smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C(=O)CSc2ccccc21 57746294 ZXQOIIMZTNZQKC-UHFFFAOYSA-N 369.490 2.850 10 40 FFCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cccc(Cl)c1 408870662 WHRGMBMFKNSCFS-RIYZIHGNSA-N 371.736 2.915 10 40 FFCB COc1ccccc1N/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 95471533 ZCWCORLNUIYLBH-RAXLEYEMSA-N 371.780 2.927 10 40 FFCB CC1=NN(C(=O)c2ccccc2O)C(=O)[C@H]1N=Nc1ccc([N+](=O)[O-])cc1 253486664 YRXXQRFUEXMUAQ-HNNXBMFYSA-N 367.321 2.811 10 40 FFCB CCc1nnc(S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)O)o1 7365672 DTWWYNNPRSDELS-SDNWHVSQSA-N 361.423 2.686 10 40 FFCB COC(=O)c1cc2ccccc2c(CN2CCN(C(=O)C(C)C)CC2)c1O 22135208 MQKAVLWOQKVRMV-UHFFFAOYSA-N 370.449 2.632 10 40 FFCB CCN1C(=O)C(=C/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)N(CC)C1=S 1649911 YWQBPDWOTWVTFO-AATRIKPKSA-N 359.407 2.530 10 40 FFCB O=C(O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1Cl 40158021 PRBOKUPIESYTMH-UHFFFAOYSA-N 369.811 2.844 10 40 FFCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccs2)cc1Cl 12883772 BLUOYJRJHACOJQ-UHFFFAOYSA-N 366.873 2.574 10 40 FFCB COc1ccccc1/C=C1/C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 4118170 ZHPVJDCRYCGTIP-VAUPQVNSSA-N 354.313 2.877 10 40 FFCB O=C1CN(C(=O)/C=C/c2c(Cl)nc3ccccn23)c2ccccc2N1 6084896 JZRRDWHFAUBPGG-CMDGGOBGSA-N 352.781 2.986 10 40 FFCB Cc1cc2c(cc1C=C1C(=O)NC(=S)NC1=O)[C@@H](C)CC(C)(C)N2C 113774421 ZZJZEPGLFWQDHU-NSHDSACASA-N 357.479 2.631 10 40 FFCB CCc1ccc(N2C(=O)N=C(O)/C(=C/NCCN3CCCCC3)C2=O)cc1 102612016 BRMQQPHSASGUJE-VKAVYKQESA-N 370.453 2.632 10 40 FFCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408815424 QEPXQWSDCKNRDW-NTEUORMPSA-N 372.764 2.721 10 40 FFCB Cc1ccnc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1 225777464 DIAWXWKWINQVPB-UHFFFAOYSA-N 355.511 2.628 10 40 FFCB COc1ccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)cc1 19556580 BQNWBEWFDXEBMA-UHFFFAOYSA-N 356.474 2.509 10 40 FFCB O=C(O)CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC1=S 2897440 BWPWULDRWQFRMW-WTKPLQERSA-N 358.784 2.534 10 40 FFCB O=C([C@@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1)N1CCCC1 199431236 YRJHDVJIYJWOIX-SFHVURJKSA-N 352.434 2.647 10 40 FFCB O=C(Nc1ccccc1)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 12908288 VWYFENLUIPMCLE-AWEZNQCLSA-N 354.406 2.972 10 40 FFCB CN(C)c1ccc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 15135138 ACDNTJNBKLPVCU-UHFFFAOYSA-N 351.450 2.805 10 40 FFCB COc1ccccc1-c1n[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 2502452 CYLSSQVEPVKJTQ-UHFFFAOYSA-N 357.391 2.867 10 40 FFCB COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 10907388 HDBIWOLNQGZVPJ-UHFFFAOYSA-N 358.413 2.943 10 40 FFCB Cc1ccc(NC(=O)C[C@@H]2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 9025014 DIVHWSMXKFXKEJ-KGLIPLIRSA-N 364.492 2.732 10 40 FFCB COc1ccc(N2CCN(C(=O)NCCCN3CCC(C)CC3)CC2)cc1 9314674 QTOWZMDPZWXUKO-UHFFFAOYSA-N 374.529 2.649 10 40 FFCB Cc1cc(/C=C2\C(=O)N(C)C(=O)N=C2O)c(C)n1-c1ccc(C(=O)O)cc1 33423993 HJARZQMBILNSLK-DHDCSXOGSA-N 367.361 2.724 10 40 FFCB COc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3O)N=C2C)cc1OC 5842730 MVLPVVYJOQLEQH-XNTDXEJSSA-N 366.373 2.851 10 40 FFCB O=C(O)COc1cccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)c1 27522769 SJUMQJDIMODIMF-GDNBJRDFSA-N 366.329 2.657 10 40 FFCB COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1c(O)ccc2ccccc12 5185896 KPKUKNQCKRYHFT-KRWDZBQOSA-N 372.446 2.528 10 40 FFCB C#CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 107929163 PYFKKZIOVSMFRV-PTNGSMBKSA-N 352.777 2.813 10 40 FFCB COC(=O)c1cc2ccccc2c(CN2CCC[C@@H](CCC(N)=O)C2)c1O 66080428 BNXKTPKWYWQKKT-AWEZNQCLSA-N 370.449 2.810 10 40 FFCB COC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O 1146606 IDRMDJAVYJPFEJ-PTNGSMBKSA-N 360.435 2.886 10 40 FFCB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 10113620 LCUXPSVEOVFOIC-UHFFFAOYSA-N 361.423 2.674 10 40 FFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)c1 59426631 JQFVSZOAWACRPL-MHWRWJLKSA-N 365.345 2.878 10 40 FFCB CSc1ncccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 10907151 CJTVRUKSDHPZDM-UHFFFAOYSA-N 357.479 2.912 10 40 FFCB CSc1nc2n(n1)[C@@H](c1c(O)ccc3ccccc13)C=C(C(=O)O)N2 102334296 IEPJVXOXSWWFSO-GFCCVEGCSA-N 354.391 2.842 10 40 FFCB CCOC(=O)c1ccc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)nc1 26631594 XCKCXFZJTLCQIL-UHFFFAOYSA-N 369.465 2.903 10 40 FFCB CN1CCN(Cc2c(O)c(Cl)cc3c4c(c(=O)oc23)CCCC4)CC1 20134753 ZAWDSXYOJNYYNH-UHFFFAOYSA-N 362.857 2.778 10 40 FFCB COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccco1 408527483 AQHDCEYRWBTLHZ-WJDWOHSUSA-N 367.357 2.943 10 40 FFCB Cn1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c1 5373988 BQHKGTBVMPCCJQ-GWQWUEFDSA-N 372.471 2.922 10 40 FFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S 6080709 OMNHPQAHMDGVLG-MJWAUXSNSA-N 367.448 2.768 10 40 FFCB CCOc1ccccc1/C=C1\C(=O)N(CCCOC)C(C)=C1C(=O)OC 408895973 WRNAYYXTBSMBKT-SSZFMOIBSA-N 359.422 2.794 10 40 FFCB CCCCN/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O 109776747 GFTQZPWITRHPPJ-NTMALXAHSA-N 355.822 2.500 10 40 FFCB C/C(NN1CCOCC1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17074553 GEHSSYPHODUZRR-MNDPQUGUSA-N 362.433 2.548 10 40 FFCB COc1ccc(N2CCN(C(=O)Cn3nc(C)c(Cl)c3C)CC2)cc1 27982001 BNABOCGCBUXQSN-UHFFFAOYSA-N 362.861 2.511 10 40 FFCB O=C(NCC(F)F)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 73883415 JLDANBPADPRRFN-JTQLQIEISA-N 367.318 2.976 10 40 FFCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=S)N=C2O)o1 880429 UXFDGLFBMZOLOG-UHFFFAOYSA-N 357.347 2.918 10 40 FFCB O=[N+]([O-])c1cccc([C@@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)c1 4176395 IKNBKDPIUKHXMK-IBGZPJMESA-N 370.454 2.761 10 40 FFCB COc1ccc(N2CCN(C(=O)CNc3ccccc3C(C)=O)CC2)cc1 12542533 FJWKXTHVAZTMMF-UHFFFAOYSA-N 367.449 2.659 10 40 FFCB CCCOc1ccccc1/C=C1\SC(N2CCN(C(C)=O)CC2)=NC1=O 12437114 GRWYZWLWRAVSNA-LGMDPLHJSA-N 373.478 2.610 10 40 FFCB Nc1cccc(N/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 2323348 GNSVHPPEGPGUPU-NTEUORMPSA-N 356.769 2.501 10 40 FFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)SC1=S 8325772 IPBPYGAUIUXUGK-SERMCNLOSA-N 365.432 2.538 10 40 FFCB CCN1C(=O)C(=C/C=C\c2ccc([N+](=O)[O-])cc2)C(=O)N(CC)C1=S 31871480 YWQBPDWOTWVTFO-WAYWQWQTSA-N 359.407 2.530 10 40 FFCB O=C1NC(=S)S/C1=C\c1ccc(/C=C2/SC(=S)NC2=O)cc1 1601143 GGXMXFQFHMQABK-VTBWALSUSA-N 364.498 2.664 10 40 FFCB CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 4042854 MWKKDGJTCNPDSH-MRXNPFEDSA-N 363.483 2.677 10 40 FFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)cc1 1181890 LNIJUPJRTYUVOF-FWPHUCDGSA-N 352.346 2.901 10 40 FFCB Cc1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)c1C 409001228 VPZPQIUVQCWOAD-UHFFFAOYSA-N 353.447 2.625 10 40 FFCB O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N1 2801796 WRVHQWWSXALWDA-UHFFFAOYSA-N 356.765 2.668 10 40 FFCB NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)C1 12512453 XCPMENBSAUJJIG-ZPHJMFTNSA-N 355.482 2.804 10 40 FFCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1OC 12504556 IJWKSBPTJQMUHJ-LCYFTJDESA-N 367.448 2.770 10 40 FFCB COC(=O)C1=CN(c2ccc(N(C)C)cc2)c2ccccc2S1(=O)=O 64979150 CQTFLSIYDQUZBV-UHFFFAOYSA-N 358.419 2.692 10 40 FFCB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 30503946 MHOIZDDPFQVFCR-UHFFFAOYSA-N 366.508 2.714 10 40 FFCB CCN1C(=O)C(=CNc2cccc(Br)c2)C(=O)N(CC)C1=O 5557266 BXRQUADKUINIAA-UHFFFAOYSA-N 366.215 2.576 10 40 FFCB COc1ccc2nc(/C=C3\SC(=S)N(CC(=O)O)C3=O)ccc2c1 6660571 KZXSHXREGXPKAA-QPEQYQDCSA-N 360.416 2.529 10 40 FFCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1O 9138061 DUBQXDRETSIORI-UKTHLTGXSA-N 359.179 2.616 10 40 FFCB COc1ccc(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1F 21704956 IJKLNEUNQCJNNK-UHFFFAOYSA-N 374.412 2.586 10 40 FFCB Cc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1[N+](=O)[O-] 2329318 XTBJXRTUQBUIHB-UHFFFAOYSA-N 350.381 2.709 10 40 FFCB O=S(=O)(c1cccc(/N=N/c2c(O)cccc2O)c1)N1CCOCC1 110341838 QMBJKAGSNVFEPC-ISLYRVAYSA-N 363.395 2.534 10 40 FFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccn3)SC2=S)cc1 6275015 INTSKCVPGHRWGY-GXDHUFHOSA-N 371.443 2.636 10 40 FFCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccn1 100423565 QJZQTKMOKUMERL-AQTBWJFISA-N 350.378 2.733 10 40 FFCB [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc2ccc(Cl)cc2)C1=O 4712799 JGOCACAMNXXQEA-UHFFFAOYSA-N 360.778 2.988 10 40 FFCB C[C@@H](N/C=C1/C(=O)NC(=S)N(Cc2ccccc2)C1=O)c1ccccc1 2605189 YURXDWHNRYVBAV-MTOJCTJASA-N 365.458 2.665 10 40 FFCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 4672179 WDNSXFWPCSJSKK-UHFFFAOYSA-N 369.333 2.597 10 40 FFCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(O)cc1 4852139 OHTKSWFRKVSYHL-ZROIWOOFSA-N 357.753 2.624 10 40 FFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3)C2=O)cc1 4696522 LKHWQDMVWNSSHG-ATVHPVEESA-N 366.373 2.760 10 40 FFCB Cc1cc(CCNC(=O)Cn2c(C)csc2=O)c(C)n1-c1ccccc1 11085485 XVEBXIISGDDORL-UHFFFAOYSA-N 369.490 2.985 10 40 FFCB O=C1NC(=O)C(=Cc2ccc(Sc3cccc4cccnc34)o2)C(=O)N1 3092186 MVQNGAPSLUANJL-UHFFFAOYSA-N 365.370 2.728 10 40 FFCB COc1ccc(N2CCN([C@@H](C)C(=O)N(C)C3CCCCC3)CC2)cc1 58126909 CLLPEWCYNDXSJT-KRWDZBQOSA-N 359.514 2.997 10 40 FFCB CN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)NC1=S 408917322 RBSSEHKQWJXAIP-XNTDXEJSSA-N 370.405 2.661 10 40 FFCB O=c1[nH]ccnc1N1CCC[C@H](NCc2ccc(N3CCCCC3)cc2)C1 583615437 PNKFONGKPJVPJP-SFHVURJKSA-N 367.497 2.519 10 40 FFCB COc1ccc(N2CCN(c3ccc(C(=O)NC(C)C)cc3N)CC2)cc1 225443184 ZZWWTICWMPIAPI-UHFFFAOYSA-N 368.481 2.742 10 40 FFCB CN(C)c1ccc(/C=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 2371173 ZLTKLYFKNRAQLX-LFIBNONCSA-N 366.421 2.571 10 40 FFCB Cc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1 54285243 WTCITWWGHMNCDT-UHFFFAOYSA-N 354.450 2.835 10 40 FFCB COc1ccc(N2CCN(c3nccc(-n4nc(C)cc4C)n3)CC2)cc1 49411581 HEQUDLNNFVQWLC-UHFFFAOYSA-N 364.453 2.614 10 40 FFCB CCCNC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(N)c1 225443119 KUUNPXROBGUVSJ-UHFFFAOYSA-N 368.481 2.744 10 40 FFCB COc1ccc(N2CCN(CCNC(=O)c3ccccc3C)CC2)cc1 56997154 DQAVXFDVWAMTQX-UHFFFAOYSA-N 353.466 2.556 10 40 FFCB COc1ccc(N2CCN(Cc3cn4c(C)cc(C)nc4n3)CC2)cc1 56970242 ROXQJIRDKKWODO-UHFFFAOYSA-N 351.454 2.677 10 40 FFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3O)C2=O)cc1 408984705 JNQQRDYPROBTPY-RVDMUPIBSA-N 366.373 2.630 10 40 FFCB Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(O)c(O)c1 23540492 ANLVZSWSNXFDOY-UHFFFAOYSA-N 355.419 2.792 10 40 FFCB COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@H]3C)CC2)cc1 6586604 MCIPGONPUORAQW-QGZVFWFLSA-N 365.477 2.795 10 40 FFCB O=C1NC(=O)C(=Cc2ccc(Cc3cccc(F)c3)c(Cl)c2)C(=O)N1 408877400 VPVXETSYXYFEIV-UHFFFAOYSA-N 358.756 2.819 10 40 FFCB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)cc1C 408598242 YJVXRJVTPSPAHO-RQZCQDPDSA-N 367.405 2.688 10 40 FFCB Cc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C(=O)N=C2O)c1 9301922 XKIBKZPVRBDVRU-WQLSENKSSA-N 357.347 2.836 10 40 FFCB CN(C)c1ccc(CNC(=O)NCc2cccc(N3CCOC3=O)c2)cc1 40149931 GPZVNWSKEXVCCD-UHFFFAOYSA-N 368.437 2.709 10 40 FFCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1OC 967076 PGEWGMAWJYNRBY-LMRAXHDRSA-N 367.448 2.768 10 40 FFCB CCOc1ccccc1/C=C1\C(=O)N(C[C@@H]2CCCO2)C(C)=C1C(=O)OC 408896734 ZOKGOBGOARGFSR-BQGMYUGNSA-N 371.433 2.937 10 40 FFCB CCN1/C(=C/C=C2/SC(=S)N(CC(=O)O)C2=O)Oc2ccccc21 90450751 QWFJNAHLMKUKHA-GUFPOKFQSA-N 362.432 2.576 10 40 FFCB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2sc3nc(C)cc(C)c3c2N)on1 10723607 YEFFYGMMCVXPAO-SNVBAGLBSA-N 374.422 2.976 10 40 FFCB O=C1Nc2ccccc2/C1=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6786145 JODRYGWPCNNWBH-RVDMUPIBSA-N 351.362 2.924 10 40 FFCB CCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)cc1 408589723 FEXFNIWQKVBVBT-LICLKQGHSA-N 367.405 2.634 10 40 FFCB CC(=O)n1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21 12364774 UPVIDIQYFZKUNL-BOPFTXTBSA-N 373.368 2.968 10 40 FFCB biogenic COC(CN/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1)OC 17075070 HIOLMNVUQUHJDE-CYVLTUHYSA-N 365.433 2.920 10 40 FFCB CCN(CC)c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(OC(C)C)c1 96193232 XKBDPIAFDGGDHE-UHFFFAOYSA-N 373.453 2.754 10 40 FFCB CCCCC(=O)NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S 5236043 MBNHSKGSOZPNGH-FMIVXFBMSA-N 360.464 2.986 10 40 FFCB CN(C)c1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 13749103 ZLTKLYFKNRAQLX-WJDWOHSUSA-N 366.421 2.571 10 40 FFCB Nc1c(OCCCCCCO)cc(O)c2c1C(=O)c1ccccc1C2=O 5162643 RQLMZSLFKGNXTO-UHFFFAOYSA-N 355.390 2.681 10 40 FFCB CCOC(=O)c1cnn2c(O)cc(CN(C)[C@H](C)c3ccc(F)cc3)nc12 47279869 BIYSUZMRKMQZMC-GFCCVEGCSA-N 372.400 2.944 10 40 FFCB CNC(=O)C1CCC(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 63259521 XJMZDLRGQXTIGD-UHFFFAOYSA-N 354.454 2.524 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C(=O)O)cc3)C2=O)cc1C 408852816 IPMCQJMQWZHPIP-MHWRWJLKSA-N 364.357 2.668 10 40 FFCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 54361124 AWKKQSFMYOIDDM-SVSAJMPUSA-N 373.459 2.940 10 40 FFCB CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 107898836 KUSLHFULNOCLAJ-GOBGXLLKSA-N 365.389 2.564 10 40 FFCB COc1ccc(/C=C2\SC(=S)N(CCCCC(=O)O)C2=O)cc1O 7166362 JFYJMWLCUMICOM-LCYFTJDESA-N 367.448 2.857 10 40 FFCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/C=C/c1ccccc1 100488060 FARYOKAWTPICDA-HYZSBJHASA-N 367.430 2.696 10 40 FFCB CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)[C@@H]1SC(=S)NC1=O 102944289 YRBVWJLJJHQCID-AWEZNQCLSA-N 364.492 2.958 10 40 FFCB COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)OC34CCCCC4)CC2)cc1 27739087 JGYZSWTWEAORQY-SFHVURJKSA-N 372.465 2.610 10 40 FFCB C[C@H](COCC(F)(F)F)NC(=O)NCc1ccc(N(C)C)c(F)c1 58266384 YNPOBNWTZNEWFG-SNVBAGLBSA-N 351.344 2.658 10 40 FFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O 4704548 DIQTTXAHYVMYBX-XNTDXEJSSA-N 366.373 2.684 10 40 FFCB CN(C)c1ccc(CNC(=O)N2CCN(c3ccccc3F)CC2)cc1 12553246 DUVQACLNEGYSOY-UHFFFAOYSA-N 356.445 2.924 10 40 FFCB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(OCC(N)=O)cc3)S2)c1 96924831 USRHNAFUSZQOMI-YBEGLDIGSA-N 367.430 2.942 10 40 FFCB CCCOC(=O)CN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 5214248 HLQAKKHIUSBBNN-UKTHLTGXSA-N 351.449 2.850 10 40 FFCB Cc1cccc(-c2nnc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n23)c1 17198134 SAYBWVRSIYUUSO-SFQUDFHCSA-N 362.458 2.740 10 40 FFCB CCO/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 1644665 YPXFSJYGEAAEKN-UVTDQMKNSA-N 353.465 2.985 10 40 FFCB CN1CCc2cc([C@@H](CNC(=O)c3cccs3)N3CCOCC3)ccc21 22733372 UHEFJPGOCCUQPM-GOSISDBHSA-N 371.506 2.544 10 40 FFCB Cc1cccc(-c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3n2)c1 2394857 TXZHVSREXQGPCG-ATVHPVEESA-N 362.458 2.740 10 40 FFCB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1276863 UWDFGINHZQKJIB-MLPAPPSSSA-N 365.432 2.568 10 40 FFCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(C(C)C)cc3)S2)CC1 2390964 BFNQQNTUNOZZEF-SFQUDFHCSA-N 357.479 2.944 10 40 FFCB CCCCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C 2648499 RZAPXQSMVLYVMU-VBKFSLOCSA-N 357.406 2.946 10 40 FFCB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408807755 HNOKGXLNSCDYMO-RVDMUPIBSA-N 350.374 2.978 10 40 FFCB CC(=O)OCc1ccc2c(c1)C(=O)c1ccc(COC(C)=O)cc1C2=O 3843477 LKIJWMXRHSUYLC-UHFFFAOYSA-N 352.342 2.588 10 40 FFCB biogenic Cn1ncc(-c2ccc3c(c2)OCCO3)c1C(=O)Nc1ccc(N)cc1 66088328 AONMDGMRUZOHQU-UHFFFAOYSA-N 350.378 2.693 10 40 FFCB Cc1cc(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccccc1 13213489 YALMEEAPLJMRRU-IYBDPMFKSA-N 370.449 2.887 10 40 FFCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(C(C)C)cc1 101470399 FLTFPXORXKIDOO-KFXAOSDLSA-N 361.467 2.511 10 40 FFCB COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(Cl)c1 95997435 JVICGGBTNWPLRN-UHFFFAOYSA-N 355.799 2.941 10 40 FFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3)C2=O)cc1 1225848 GPANKMZHUNHTJZ-SFQUDFHCSA-N 366.373 2.760 10 40 FFCB O=C(O)CN1C(=O)/C(=C/c2c(F)c(F)c(F)c(F)c2F)SC1=S 6295456 LJJDHOVKMRPDJA-RJRFIUFISA-N 369.292 2.668 10 40 FFCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408871934 ZUHSAVNINLGHEY-OVCLIPMQSA-N 372.764 2.721 10 40 FFCB C[n+]1ccccc1/C=C1\C=Cc2ccccc2N1CCCS(=O)(=O)O 3306429 PXFVLCJMLONSJS-UHFFFAOYSA-O 357.455 2.663 10 40 FFCB COc1ccc(N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 3547564 YCUNATSUYFGDDI-BJMVGYQFSA-N 367.405 2.965 10 40 FFCB COc1ccc(-n2cccc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 1105544 ROIUPJOMFWLCRH-NTEUORMPSA-N 374.443 2.772 10 40 FFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1O 4704553 CAEPRXUWJYEGMF-OQLLNIDSSA-N 366.373 2.684 10 40 FFCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccccn1 7498887 IUSGGACHPVGPFC-VKAVYKQESA-N 350.447 2.874 10 40 FFCB Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc(OCC(N)=O)cc2)S1 96924832 LMAIFABKYVZBTK-YBEGLDIGSA-N 367.430 2.942 10 40 FFCB COc1ccc(N2CCN(C(=O)c3cc(C)nc4onc(C)c34)CC2)cc1 36359251 IYXCUHXYCAXCSN-UHFFFAOYSA-N 366.421 2.811 10 40 FFCB COCCn1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C 3652801 AYSUULCPLJBDPX-WOJGMQOQSA-N 371.412 2.983 10 40 FFCB CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1 13534492 IFADTBGBYGDIQI-UVTDQMKNSA-N 364.492 2.907 10 40 FFCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccncc1 19938224 UJTVHUGPOKAYTM-JXAWBTAJSA-N 364.474 2.870 10 40 FFCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 59489894 DUYVWDPGYHVKCB-UHFFFAOYSA-N 372.377 2.949 10 40 FFCB COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc([N+](=O)[O-])c1O 96759407 IDWJUMYILONVHH-UKTHLTGXSA-N 363.395 2.765 10 40 FFCB COc1cc2c(cc1OC)[C@]13CCN4CC5=CO[C@@H]6CCN2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43 4533046 ODSKQEUFTBWNLH-JFZCMZRRSA-N 366.461 2.541 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2)c(Cl)c1 685047 WJNBKDZARWFFKR-UHFFFAOYSA-N 372.833 2.833 10 40 FFCB Cc1cc(/C=C2\C(=O)NC(=S)N=C2O)c(C)n1-c1ccc2c(c1)OCO2 1275477 LBPJNDQXYKHHOI-UHFFFAOYSA-N 369.402 2.577 10 40 FFCB Cc1cc(OCC(=O)NCc2cc([N+](=O)[O-])ccc2O)ccc1Cl 34852258 WBVFRIPTKYFXNG-UHFFFAOYSA-N 350.758 2.957 10 40 FFCB CN(C)c1ccc(CNC(=O)CCCNC(=O)c2ccsc2)cc1F 58157948 VTSFUYGIRQKLKA-UHFFFAOYSA-N 363.458 2.780 10 40 FFCB Cn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 409103769 YMMSVGARBONBLN-YRNVUSSQSA-N 364.188 2.998 10 40 FFCB COc1ccc(F)cc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 223755037 JRBVTBVHXHNTOU-UHFFFAOYSA-N 352.431 2.721 10 40 FFCB CCOC(=O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)nc1 52457041 MABXBZZPHUVEEB-UHFFFAOYSA-N 359.401 2.846 10 40 FFCB COC(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946278 QTJQUODLLKBVCZ-QGZVFWFLSA-N 359.426 2.508 10 40 FFCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 4792812 NQFYFJCESYRWQS-OYGDSYQHSA-N 369.489 2.800 10 40 FFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1Cl 408953895 QJHZBEKSCDIBIE-KPKJPENVSA-N 370.748 2.735 10 40 FFCB COc1ccccc1C(=O)NN1C(=O)/C(=C\c2cccnc2)SC1=S 5845817 KPNKVLXSKOBQJH-NTEUORMPSA-N 371.443 2.636 10 40 FFCB CCOc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1O 5475724 ODWIWSXKPBVHGM-ZROIWOOFSA-N 358.781 2.906 10 40 FFCB COc1cccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097862 HMKVRCRTPLUARS-FQEVSTJZSA-N 371.481 2.559 10 40 FFCB COc1ccccc1/N=N/[C@H](C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 100051626 BWCSCOGVOJAQRL-PXFSWQRTSA-N 367.365 2.545 10 40 FFCB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(O)cc1 40414109 VIFLVKANQAWPQU-UHFFFAOYSA-N 358.213 2.964 10 40 FFCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)nc1 409134501 RTNCDLFLQLMFLK-VGOFMYFVSA-N 371.418 2.918 10 40 FFCB COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(F)c2)C1=O 4723770 VTGVKZFIIPYJFT-NTEUORMPSA-N 356.378 2.666 10 40 FFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)c1 408739393 BJTRTLWIIUXHFO-XNTDXEJSSA-N 351.318 2.570 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1 5745864 CVODMEKADXKENX-GXDHUFHOSA-N 351.318 2.570 10 40 FFCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cccc(O)c3)C2=O)c(C)c1 16511406 UQEJDFQRKDCAPA-MHWRWJLKSA-N 365.389 2.896 10 40 FFCB COc1ccc(N2CCN(C(=O)c3cc(OC)c(C)c(OC)c3)CC2)cc1 42047279 XRBYDZJDABUHNX-UHFFFAOYSA-N 370.449 2.983 10 40 FFCB CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)C(=O)NC1=S 408917708 AGPZAURTYCIFDE-RVDMUPIBSA-N 352.415 2.522 10 40 FFCB O=C(O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1Cl 13339949 BHCFQYRTFSIGJB-UHFFFAOYSA-N 355.755 2.568 10 40 FFCB O=C1/C(=C/NN2CCCCCC2)C(O)=NC(=S)N1c1ccc(F)cc1 5100154 KKBVWQSGXXHTCB-SDNWHVSQSA-N 362.430 2.678 10 40 FFCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Cl)c1O 36613153 RPUXXNXBGCCGTN-BJMVGYQFSA-N 373.839 2.730 10 40 FFCB COc1cc(N2CCCC2)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33478010 QWQFUMGCPGBQAM-AQTBWJFISA-N 363.417 2.757 10 40 FFCB CC1=CC2=NC(=O)/C(=C\c3coc4ccc(Cl)cc4c3=O)C(=N)N2O1 5824458 CIVSNYIQUNDWRO-ZYRNXCQESA-N 355.737 2.897 10 40 FFCB CCN(CC)CCN/C=C1\C(=O)N(c2ccccc2Cl)C(=O)N=C1O 103090070 XSSOLAGTQPENLO-QXMHVHEDSA-N 364.833 2.578 10 40 FFCB CN(C)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 7908235 HCVICGVXULVDRE-UHFFFAOYSA-N 369.284 2.994 10 40 FFCB C/C(=C1/SC(=S)N(CCS(=O)(=O)O)C1=O)c1ccc(C)c(C)c1 35041583 MLYGCAOYINAIBB-QBFSEMIESA-N 371.505 2.783 10 40 FFCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/Nc1ccccc1F 98086267 WABNCBDUOJUELO-MDZDMXLPSA-N 359.357 2.709 10 40 FFCB CCOc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N=C3O)o2)c([N+](=O)[O-])c1 5025753 SMEGEEOMNFRGMK-UHFFFAOYSA-N 371.305 2.843 10 40 FFCB COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)C(=O)NC2=S)cc1 408760317 WNYOABKLJJSFEA-WJDWOHSUSA-N 368.414 2.535 10 40 FFCB CCOC(=O)N1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 95350618 JQUIAYCGALXFTG-UHFFFAOYSA-N 350.459 2.972 10 40 FFCB Cc1cc(C(=O)NCCN2C(=O)CSC2=O)c(C)n1-c1ccccc1 47421653 UUNRSKKWVZLFEA-UHFFFAOYSA-N 357.435 2.519 10 40 FFCB CCOC(=O)c1ccc(NC(=S)NNc2ccc(C(=O)O)cc2)cc1 16190905 BRWPLMSUHUMEND-UHFFFAOYSA-N 359.407 2.875 10 40 FFCB CCCCOC(=O)CN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1781849 CQMRGKXKDUFDTJ-LCYFTJDESA-N 351.449 2.937 10 40 FFCB O=C1/C(=C/c2ccc3ccccc3n2)SC(=S)N1N1CCOCC1 54360833 YCYWOLVDNHYIIZ-PTNGSMBKSA-N 357.460 2.683 10 40 FFCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 408818533 YIWHDTLPNRZYNR-GZTJUZNOSA-N 366.373 2.846 10 40 FFCB CCN1/C(=C2\SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21 1065726 JIGTUJHXEHURKA-ACCUITESSA-N 352.462 2.733 10 40 FFCB NC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)C1 12512461 XCPMENBSAUJJIG-PEKVBPLLSA-N 355.482 2.804 10 40 FFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 6843264 JLKPLZXLZFGNKJ-UKTHLTGXSA-N 360.416 2.834 10 40 FFCB CCCCNC(=O)CN1CCN(Cc2c(O)ccc3ccccc23)CC1 23258120 WJABHJYLWXEEOL-UHFFFAOYSA-N 355.482 2.579 10 40 FFCB CC(=O)Nc1cc(NS(=O)(=O)c2cccc3nsnc23)ccc1F 19079339 CXOUZUFKSIPKDZ-UHFFFAOYSA-N 366.399 2.590 10 40 FFCB O=C(CC1CC1)N1Cc2cc(N3CCOCC3)ccc2[C@@H]1c1cnco1 96087014 BLWSNCAIRPQYCC-HXUWFJFHSA-N 353.422 2.743 10 40 FFCB O=C(NC1(NCc2ccccc2)C(=O)c2ccccc2C1=O)c1ccccc1 3184065 NFBDCASNZMCOQJ-UHFFFAOYSA-N 370.408 2.982 10 40 FFCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 4792808 NQFYFJCESYRWQS-SERMCNLOSA-N 369.489 2.800 10 40 FFCB COc1ccc(N2CCN([C@@H](C)C(=O)NC3CCC(C)CC3)CC2)cc1 42290165 FRXKGCHCROEVSN-ADKAHSJRSA-N 359.514 2.901 10 40 FFCB COC(=O)c1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 55877251 LPYUEINTNADDSX-UHFFFAOYSA-N 368.433 2.834 10 40 FFCB CCSc1ncnc2[nH]c(/N=N/c3ccc(S(N)(=O)=O)cc3)nc12 18258439 FVRBYEJMHBRWDN-FMQUCBEESA-N 363.428 2.528 10 40 FFCB COCCCN1C(=O)/C(=C\Nc2cccc(C(=O)O)c2)SC1=S 8993317 HINOVNBMMYQFHP-FMIVXFBMSA-N 352.437 2.535 10 40 FFCB Cc1nc([C@H]2CCN(Cc3ccc(N4CCCC4)cc3C)C2)cc(=O)[nH]1 19570629 HBOVRNSZXBBDEQ-SFHVURJKSA-N 352.482 2.976 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 59426724 VBVOZDKWLQVPLR-XNTDXEJSSA-N 351.318 2.570 10 40 FFCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccn(-c2ccccc2)n1 54284185 BQTUDEFFQRCPCL-UHFFFAOYSA-N 362.433 2.639 10 40 FFCB CC1CCN(c2ccc([C@H](C)NC(=O)C(C)(C)n3cnnn3)cc2)CC1 19714381 PAFGEAYNTZXVDE-HNNXBMFYSA-N 356.474 2.522 10 40 FFCB CC1=NN(c2nnn[nH]2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 12412872 FPPFBEVJUVVIMP-JYRVWZFOSA-N 354.757 2.919 10 40 FFCB CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2F)C(=O)NC1=S 4674789 GZYVGGQBEOHKCB-GXDHUFHOSA-N 370.405 2.661 10 40 FFCB COc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC2)cc1 19498029 LBFWXCBHPHJRMG-IIBYNOLFSA-N 368.477 2.874 10 40 FFCB CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)cc1 4042857 MWKKDGJTCNPDSH-INIZCTEOSA-N 363.483 2.677 10 40 FFCB CCOc1cc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)ccc1O 19720174 WAZRDVHQZAAHNT-GAAFXGMGSA-N 362.451 2.870 10 40 FFCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OC)cc1 59435629 BORXXLMWFIYQMB-WQRHYEAKSA-N 364.401 2.963 10 40 FFCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OCC 16692867 QJTQDAZADRVUBD-JYRVWZFOSA-N 367.448 2.770 10 40 FFCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1C[C@H]1CCCO1 13547358 QKLNJZAWYXBNRE-YFBAIUBQSA-N 350.421 2.975 10 40 FFCB Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1 5447762 ANDITESYZDMDFP-UHFFFAOYSA-N 362.436 2.771 10 40 FFCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O 409133669 MEZFIZZHZVCPKK-RVDMUPIBSA-N 353.447 2.956 10 40 FFCB O=C(O)COc1ccccc1/C=C1/SC(=S)N(c2cccnc2)C1=O 1255222 MCHZWTRWIBITMF-RIYZIHGNSA-N 372.427 2.951 10 40 FFCB C[C@@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@@H]1C(C)(C)CCC[C@]21C 6175433 QCXLEHMVJULREB-JUVLLFOKSA-N 362.422 2.749 10 40 FFCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCCO)cc1 4736938 WSJAYGGLBKZROJ-CYVLTUHYSA-N 365.433 2.692 10 40 FFCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)NC2=S)c1 409009860 ACKJQIRSYPEESH-XNTDXEJSSA-N 369.446 2.794 10 40 FFCB O=C(O)CCN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)SC1=S 1266342 FSBCUEQQHZZVKM-JXMROGBWSA-N 359.375 2.964 10 40 FFCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1 8971442 RONVJNBVROUIRW-JYRVWZFOSA-N 354.318 2.613 10 40 FFCB COc1cc(C)c(NS(=O)(=O)c2cccc3nsnc23)cc1OC 19079139 VCBSADOGIDDSQY-UHFFFAOYSA-N 365.436 2.818 10 40 FFCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCCC1 1217359 SDJMTWKZFMHWQN-BENRWUELSA-N 352.506 2.962 10 40 FFCB CC(=O)OCCCNc1c(C(=O)O)ccc2c1C(=O)c1ccccc1C2=O 4118916 QOIZGAINDCIUPB-UHFFFAOYSA-N 367.357 2.525 10 40 FFCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccccc2Cl)cc1 8721066 LOWRGQDGXQBFOF-UHFFFAOYSA-N 361.829 2.669 10 40 FFCB CN1CCN(c2ccc(CNC(=O)/C=C/c3ccc(F)cc3)cc2)CC1 216926878 LCIYSWMIPACYOO-IZZDOVSWSA-N 353.441 2.907 10 40 FFCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)c(C)c1 980520 PJOPNKYXIISLJP-MHWRWJLKSA-N 367.474 2.967 10 40 FFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)cc1 408771320 FVVFJSIECQLTJP-GZTJUZNOSA-N 367.405 2.707 10 40 FFCB O=C(O)CN1C(=O)/C(=C/c2ccc(OC(F)(F)F)cc2)SC1=S 71814391 UTRSAQNESJKTMI-UITAMQMPSA-N 363.338 2.871 10 40 FFCB CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)NC1=S 4672382 KCZMSDVDDXLYJQ-MHWRWJLKSA-N 370.405 2.661 10 40 FFCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1O 15015219 BZFDBHCAHWUIQI-KSSSLANASA-N 351.449 2.781 10 40 FFCB O=C(O)CCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S 4980767 AAYIXDPBOYLITQ-WQLSENKSSA-N 359.432 2.753 10 40 FFCB CC(=O)Nc1ccc(C(=O)N2N=C(C)/C(=C/c3ccccc3O)C2=O)cc1 17218494 BIEDPDBRUDYKKE-BOPFTXTBSA-N 363.373 2.793 10 40 FFCB COc1ccc(O[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 4413107 BTWMPJXMYGDBMH-MRXNPFEDSA-N 370.449 2.820 10 40 FFCB COc1ccc(N2CCN(C(=O)CN(C)Cc3sccc3C)CC2)cc1 8026584 CGMXMIZTRMAUIX-UHFFFAOYSA-N 373.522 2.846 10 40 FFCB CCn1cccc1/C=C1/C(=O)N(CCOC)C(=O)N(c2ccccc2)C1=O 409020250 NCYHFOWOKLLJEA-VKAVYKQESA-N 367.405 2.533 10 40 FFCB COc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)N(C)CC(=O)O 217338270 CHCQCFSGIFRSHK-ISLYRVAYSA-N 363.395 2.816 10 40 FFCB CCCOC(=O)CN1C(=O)/C(=C/c2ccccc2OC)SC1=S 1809368 IHTYHPVYYIKFJJ-LCYFTJDESA-N 351.449 2.850 10 40 FFCB C[C@H]1CN(C(=O)C2CCN(Cc3cc4c(cc3O)CCC4)CC2)C[C@H](C)O1 54470866 OWRDBBWPOJKKEI-HOTGVXAUSA-N 372.509 2.729 10 40 FFCB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(O)c(O)c1 79192503 PKZNSRKLSOZQBD-CRAIPNDOSA-N 368.341 2.660 10 40 FFCB biogenic CCN(CC)C(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 2638888 GLAAXOKSMDZJGT-UVTDQMKNSA-N 364.492 2.765 10 40 FFCB CCOC(=O)CSC1=NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S1 4473420 MZXGVAFCXMNPOU-YRNVUSSQSA-N 352.393 2.861 10 40 FFCB O=C1NC(=O)C(=Cc2cccc(OCc3cccc(Cl)c3)c2)C(=O)N1 59639083 FMSJFPWXJVCENW-UHFFFAOYSA-N 356.765 2.668 10 40 FFCB CCN1/C(=C/C=C/C=C2C(=O)N(C)C(=O)N(C)C2=O)Sc2ccccc21 685944740 UKYHBLLMVYEBGF-ZXURELPXSA-N 369.446 2.993 10 40 FFCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2cccnc2)SC1=S 1307584 KPNKVLXSKOBQJH-ZROIWOOFSA-N 371.443 2.636 10 40 FFCB CCOc1ccc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc1OC 1191581 QAVWRKCTUJFKQY-LFIBNONCSA-N 352.390 2.864 10 40 FFCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 27229097 JPXWFFXESCCWTD-XNFYSYIQSA-N 367.448 2.855 10 40 FFCB COc1ccc(/C=C/C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 216927016 PKIJXDDXKPEEHW-KPKJPENVSA-N 365.477 2.777 10 40 FFCB Cc1cccc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c1 4356775 RVBBZYPHXKOEGM-LCFDYFRESA-N 365.432 2.514 10 40 FFCB Cc1ccc(C)n1N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 409197985 TWHBEYCWINWWIF-YPKPFQOOSA-N 355.444 2.965 10 40 FFCB C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccc(N(C)C)cc1)C2=O 12533778 BJCRSFJXVPFYMI-MGPUTAFESA-N 358.486 2.643 10 40 FFCB Cc1cccc(C)c1NC(=O)CN(/N=N/c1nonc1C)c1nonc1C 13573925 CWSJVXNZHKPKGX-PTGBLXJZSA-N 370.373 2.830 10 40 FFCB CN(C)c1ccc(CNS(=O)(=O)c2ccccc2Br)cc1 7908389 UDQWMNVOBJMUKW-UHFFFAOYSA-N 369.284 2.994 10 40 FFCB CCN1c2cc(C)c(C=C3C(=O)NC(=S)NC3=O)cc2C(C)=CC1(C)C 113821159 DQDBVGHBUYICQH-UHFFFAOYSA-N 369.490 2.931 10 40 FFCB Cc1cc(C(=O)COC(=O)[C@@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCO2 7180864 DBLRUMYWWWYXSB-SFHVURJKSA-N 371.389 2.728 10 40 FFCB COC(=O)c1ccc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1 3026683 WZHHIFNTYWHAOZ-XNTDXEJSSA-N 356.765 2.588 10 40 FFCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C/c3cccn3C)C2=O)c1 16974294 GXRVIJMLWNLCOF-LCYFTJDESA-N 355.350 2.549 10 40 FFCB CCOc1cc(/C=C2/C(=O)N=C(O)N(Cc3ccccc3)C2=O)ccc1O 9059087 APGMUYMTJLFYMN-GDNBJRDFSA-N 366.373 2.657 10 40 FFCB Cc1cccc(C(=O)N[C@@H](C)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 69772636 YWFRYUUOZOPJOA-INIZCTEOSA-N 353.466 2.838 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2ccccc2F)c(Cl)c1 408878155 XEMOQVWSRGAXAZ-UHFFFAOYSA-N 374.824 2.984 10 40 FFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1ccccc1Cl 408865620 DDLZFMCCUUJYJY-UHFFFAOYSA-N 370.792 2.689 10 40 FFCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 5899954 MGQXIIBLTNLNMI-SRMXYGTFSA-N 365.432 2.870 10 40 FFCB O=C(C[C@H]1SC(=S)N(Cc2ccco2)C1=O)NCCc1ccccc1 9189412 KNSNZQZOYMZBFZ-OAHLLOKOSA-N 374.487 2.758 10 40 FFCB C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NC(=O)N=C2O)[C@H](C)C1 4181707 VHLWLNSUOHUUMG-GHMZBOCLSA-N 372.381 2.809 10 40 FFCB O=C1NC(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1 4663551 LVVAYRLVABQCAI-UHFFFAOYSA-N 363.348 2.578 10 40 FFCB O=C1N=C(S)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccc(F)cc1 102563592 OHNBSZLLTQXGON-XNTDXEJSSA-N 355.394 2.976 10 40 FFCB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(N2CCOCC2)C1=O 54361107 VWBNNZUBEILSRO-IEMQHYRPSA-N 374.487 2.842 10 40 FFCB CCN(CC)c1ccc(CN(C(=O)C(C)C)[C@H]2CCS(=O)(=O)C2)cc1 6517558 YNAWIGYMGOLMQX-SFHVURJKSA-N 366.527 2.705 10 40 FFCB CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 16309443 NYAKRJDHOZEHCN-VBKFSLOCSA-N 351.431 2.584 10 40 FFCB COC(=O)C1=CN(c2ccccc2OC)c2cc(F)ccc2S1(=O)=O 64979187 SQSQNMOUQYUIDO-UHFFFAOYSA-N 363.366 2.774 10 40 FFCB CCOCCCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 55531170 WEIFVNUQCHOANT-GASCZTMLSA-N 352.450 2.872 10 40 FFCB Cc1ccc(S(=O)(=O)NNc2nc3ccc([N+](=O)[O-])cc3s2)cc1 59417533 MSMRYKRUKVBGTQ-UHFFFAOYSA-N 364.408 2.818 10 40 FFCB C[C@@H](NC(=O)c1cc(Cl)cn1C)c1ccc(N2CCN(C)CC2)cc1 48355237 MRJGYPWSWJXGDR-CQSZACIVSA-N 360.889 2.921 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc(Cl)c2)cc1 2726870 HXRYKJDXOKRREU-UHFFFAOYSA-N 372.833 2.833 10 40 FFCB CCCCCCN1C(=O)N=C(O)/C(=C/NCc2ccc3c(c2)OCO3)C1=O 102507730 RFKXBEVMYCQOFF-KAMYIIQDSA-N 373.409 2.888 10 40 FFCB CCN1C(=O)C(=CN[C@H](C)c2ccc(Cl)cc2)C(=O)N(CC)C1=S 23641879 UDCRYHVSBKGEIE-LLVKDONJSA-N 365.886 2.870 10 40 FFCB CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3C)C(=O)NC2=S)cc1 409232303 PYZRNRRNOZPDKJ-LFIBNONCSA-N 353.447 2.980 10 40 FFCB CN(C)c1ccc(CN(C(=O)c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4163926 DLGWEHGZMBXARV-IBGZPJMESA-N 372.490 2.582 10 40 FFCB COc1ccc(N(CCC(N)=O)Cc2nc(-c3ccc(F)cc3)no2)cc1 8705873 WIUUJCCNTYREPM-UHFFFAOYSA-N 370.384 2.766 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1 409014720 IOFHHSBSAMCAMZ-OQLLNIDSSA-N 356.378 2.666 10 40 FFCB CCOc1ccccc1N1CCN(Cc2cc3c(cc2O)OCO3)CC1 6910706 WHTRGCOWEIDWJO-UHFFFAOYSA-N 356.422 2.842 10 40 FFCB Cn1cccc1/C=C1/SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O 2333100 KJCWFFVOKRNCEF-AYYGCFCKSA-N 372.471 2.922 10 40 FFCB C[C@@H](NC(=O)c1cccc2cn[nH]c12)c1ccc(N2CCOCC2)cc1 65609388 ATRMWXKQNKMADZ-CQSZACIVSA-N 350.422 2.891 10 40 FFCB CC(C)C[C@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 6262879 PTFLFGVMVRNUKD-INIZCTEOSA-N 359.422 2.966 10 40 FFCB biogenic Cc1cc(O)c(Sc2ncn[nH]2)cc1NS(=O)(=O)c1ccccc1 4735821 SKWYNFBOWUSZCC-UHFFFAOYSA-N 362.436 2.771 10 40 FFCB CCN1CCN(Cc2c(O)ccc3oc(-c4ccco4)cc(=O)c23)CC1 19794112 JNUSLHVHGLDPJO-UHFFFAOYSA-N 354.406 2.896 10 40 FFCB CCCN1C(=O)/C(=C/c2ccc(OC)c(Br)c2)NC1=S 409091378 PXYZUDHXCTXFER-FLIBITNWSA-N 355.257 2.925 10 40 FFCB COc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] 96564123 IIWOOCBXTNFPDQ-JYRVWZFOSA-N 373.752 2.718 10 40 FFCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3cccn4nnnc34)cc2)CC1 19661862 XZWSYUYYPDRZKM-OAHLLOKOSA-N 364.453 2.852 10 40 FFCB CN(C)c1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1Br 1628750 QRHOIDNVCKPSFQ-UHFFFAOYSA-N 354.200 2.735 10 40 FFCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cccc(OC)c1 6654841 VIYFLUCEIKOAHM-FDIDWWNZSA-N 357.406 2.547 10 40 FFCB O=C1CO[C@]2(CCCN(Cc3ccccc3O)C2)CN1c1ccc(F)cc1 2037978036 MCIFWZUBSUMXMY-NRFANRHFSA-N 370.424 2.929 10 40 FFCB CCOC1=NN(c2ncc(C(F)(F)F)cc2Cl)C(=O)/C1=C/N(C)C 29763609 QQFXPOCWCZWZBZ-VQHVLOKHSA-N 362.739 2.896 10 40 FFCB CN(C)c1ccc(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 8171205 GVUJTPDAOQLUPF-KRWDZBQOSA-N 355.463 2.872 10 40 FFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(C)cc3)CC2)cc1 3555468 AMIODPQFISQDIV-UHFFFAOYSA-N 368.433 2.509 10 40 FFCB Cc1c(CC(=O)N[C@H](C)c2ccccc2)c(=O)oc2c(O)c(O)ccc12 4089795 DBEZPPYUXRLUJL-GFCCVEGCSA-N 353.374 2.933 10 40 FFCB biogenic C[C@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1ccc(N(C)C)cc1)C2=O 12533780 BJCRSFJXVPFYMI-YWZLYKJASA-N 358.486 2.643 10 40 FFCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1cccc(F)c1 408868785 ORZWHUFJPIEXPJ-UHFFFAOYSA-N 368.364 2.565 10 40 FFCB COc1ccc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 6545001 WIHXWJQXFKOEMT-UHFFFAOYSA-N 371.393 2.574 10 40 FFCB O=c1oc2c(CNCCCn3ccnc3)c(O)ccc2c2c1CCCC2 38776057 GLIDINLPCWRXKP-UHFFFAOYSA-N 353.422 2.754 10 40 FFCB Cc1cccc2cc(/C=C3/SC(=S)NC3=O)c(N3CCOCC3)nc12 2274160 QCPFMYPMBFHBMO-GXDHUFHOSA-N 371.487 2.869 10 40 FFCB COc1cccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c1O 59129050 KJTQBWVHDOUDGD-GDNBJRDFSA-N 352.346 2.905 10 40 FFCB COc1cccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c1OC 22028142 SHMHWMPRDAIDAB-GTZAAGPCSA-N 362.451 2.783 10 40 FFCB C=CCOc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1OC 108027221 JCHPJPLKXCBYCX-DTQAZKPQSA-N 350.374 2.721 10 40 FFCB COc1cc(OC)c(OC)cc1C=C1C(=O)OC2(CCCCC2)OC1=O 2259266 SVQFDULGHRXOSK-UHFFFAOYSA-N 362.378 2.856 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1Cc1ccccc1F 408866013 FIBJORRBIJTWOE-UHFFFAOYSA-N 374.824 2.984 10 40 FFCB CCOC(=O)c1cnn2c(O)cc(CN(CC)Cc3cccc(F)c3)nc12 47279639 RXYDTJYYKJZLMG-UHFFFAOYSA-N 372.400 2.773 10 40 FFCB O=c1[nH]ccnc1N1CCC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1 583615436 PNKFONGKPJVPJP-GOSISDBHSA-N 367.497 2.519 10 40 FFCB O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1C[C@@H]1CCCO1 409077686 FIYDEIYDQJVLRK-BNDQCTAISA-N 366.420 2.681 10 40 FFCB CCOc1ccc(N2C[C@@H](C(=O)N(C)Cc3ccccc3O)CC2=O)cc1 36390830 QHWHTLKUPYYBRH-INIZCTEOSA-N 368.433 2.802 10 40 FFCB CC(C)n1cnc2c(NCc3ccccc3O)nc(NCCCO)nc21 6754594 HFIXLXXNEZMSGH-UHFFFAOYSA-N 356.430 2.519 10 40 FFCB in-vitro COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(O)c1 408894715 KVXTZNXOJBDJQI-VGOFMYFVSA-N 372.764 2.721 10 40 FFCB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1 22278471 YJLHRGDTGVYEGX-UHFFFAOYSA-N 364.467 2.591 10 40 FFCB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(N(C)C)cc1)n2CCC 12810338 BECVNINRYDMTEP-UHFFFAOYSA-N 369.469 2.829 10 40 FFCB CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OC 13343432 KYLVWRCHXQIXCL-LCYFTJDESA-N 367.448 2.770 10 40 FFCB O=C(O)CN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2)SC1=S 1294546 IBVLXEZEGGOGEO-GXDHUFHOSA-N 362.476 2.963 10 40 FFCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCCCCC3)cc2)C1 57146744 GNMTVVMVBDWOHC-SFHVURJKSA-N 372.513 2.864 10 40 FFCB CCn1ncc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc21 57996881 BIOLGOBGUOIELM-UHFFFAOYSA-N 359.436 2.862 10 40 FFCB NC(=O)c1cc(C2=Nn3cc(-c4ccccc4)nc3SC2)ccc1O 14901410 MCDIBEZGQXXLAK-UHFFFAOYSA-N 350.403 2.713 10 40 FFCB CN(C)Cc1cc(Br)c(C(=O)O)c(Br)c1O 3843466 ABTKMLWIGBOAKK-UHFFFAOYSA-N 353.010 2.677 10 40 FFCB biogenic O=C(NN1C(=O)/C(=C/c2ccccc2O)SC1=S)c1ccccc1 3079066 ISNWRIYANOBFDV-UVTDQMKNSA-N 356.428 2.938 10 40 FFCB CCOc1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1OC 26771443 PGEWGMAWJYNRBY-ITTMYVLYSA-N 367.448 2.768 10 40 FFCB CCc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 26687255 MAKMYOFOHUCGCB-GFAPJHNFSA-N 367.517 2.637 10 40 FFCB CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C 4679608 NMBQDSBOJOMUQE-CXUHLZMHSA-N 355.369 2.930 10 40 FFCB CCN(CC)c1ccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc1 33161951 INOHWILEHIZNHB-VKAVYKQESA-N 358.511 2.751 10 40 FFCB COc1cc(OC)cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 10906990 FKLSIBFCZDOHIL-UHFFFAOYSA-N 370.449 2.813 10 40 FFCB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc([N+](=O)[O-])c1O 409330203 JRMTVNJXKCAFGW-YRNVUSSQSA-N 354.409 2.920 10 40 FFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 408847328 UBJGGOFLHIAMNK-NTCAYCPXSA-N 351.362 2.546 10 40 FFCB COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3OC)CC2)cc1 57350872 UYGRNSDMEJIYJP-INIZCTEOSA-N 369.465 2.853 10 40 FFCB COc1ccc(Br)cc1/C=C1\SC(NC(C)=O)=NC1=O 6022460 PSPIUECMSHTIAV-WDZFZDKYSA-N 355.213 2.564 10 40 FFCB CCOc1ccc(N2CCN(CC(=O)NCc3cccc(C)c3)CC2)cc1 89991135 DRWOSBNNZGIIAS-UHFFFAOYSA-N 367.493 2.832 10 40 FFCB CCN(CC)c1ccc(/C=C2/C(=O)Nc3ccc(S(N)(=O)=O)cc32)cc1 53107324 UOZQDATWAGFQDZ-GZTJUZNOSA-N 371.462 2.673 10 40 FFCB O=C(NN1C(=O)/C(=C\c2ccccn2)SC1=S)c1ccc(F)cc1 13161587 XBQRKTBFTRNHQX-UKTHLTGXSA-N 359.407 2.767 10 40 FFCB COC(=O)C1=CN(c2ccc(OC)cc2)c2ccc(F)cc2S1(=O)=O 64979231 AGPHDYIGGINCNW-UHFFFAOYSA-N 363.366 2.774 10 40 FFCB Cc1cc(C(=O)N(C)Cc2nnc(C3CC3)n2C)c(C)n1-c1ccccn1 72305510 MJAJPKZTUPBIHB-UHFFFAOYSA-N 364.453 2.767 10 40 FFCB COCCN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2OC)C1=O 409126317 HJERWEASQVLXGN-LFIBNONCSA-N 362.451 2.978 10 40 FFCB COc1ccc(OC)c(N2C(=O)/C(=C/c3ccco3)C(O)=NC2=S)c1 1288438 DYOKRGAYEGWMIS-XYOKQWHBSA-N 358.375 2.968 10 40 FFCB CNC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1 48276313 QOJMPQMESALSFM-UHFFFAOYSA-N 357.429 2.831 10 40 FFCB C[C@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)N1CCOCC1 69919126 APFPNDBYIXYINA-QGZVFWFLSA-N 359.514 2.792 10 40 FFCB COC(=O)c1ccc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 1213719 GGXOQPBQLOJXJH-GZTJUZNOSA-N 350.374 2.551 10 40 FFCB O=C(CN1C(=O)CSC1=S)N1CCS[C@@H](c2cccs2)CC1 219518540 ZAAWJXREHFIQDT-LLVKDONJSA-N 372.562 2.615 10 40 FFCB CSC1=NSC2=NC(=O)/C(=C\c3ccc(OC(C)=O)cc3)C(=N)N12 3894847 OAAVTRFLXINRTP-RQWODAFVSA-N 360.420 2.552 10 40 FFCB COc1ccc(N2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 803207 OWWBICCVQNZKLW-UHFFFAOYSA-N 370.449 2.604 10 40 FFCB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 22278266 QRNLHLZSODTDOG-UHFFFAOYSA-N 363.439 2.790 10 40 FFCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCC1CCNCC1 17748153 QBZVLTRQFAISOS-LGMDPLHJSA-N 371.441 2.571 10 40 FFCB COc1cc2c(cc1C[C@@H]1SC(=S)N(CC(C)C)C1=O)OCO2 6326106 FZKSKUPKXQQFCX-AWEZNQCLSA-N 353.465 2.851 10 40 FFCB CCOc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)OC)C1=O 27563108 KVWLXPXXFNHVAK-AVMBBCFPSA-N 351.449 2.848 10 40 FFCB COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1O 409082627 MRCXLKVELVMNCO-ZEVOCZHWSA-N 351.449 2.781 10 40 FFCB Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1[N+](=O)[O-] 55522237 OVCJVMYELPXFMH-UHFFFAOYSA-N 373.384 2.809 10 40 FFCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccoc1 408962690 JGMIKPNEQVOUIW-KPKJPENVSA-N 361.151 2.709 10 40 FFCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCN1CCOCC1 13001015 OJKMCLOWBGPVPL-KAMYIIQDSA-N 368.911 2.873 10 40 FFCB CN1CCN([C@@H](CNC(=O)c2cccs2)c2ccc(N(C)C)cc2)CC1 22589210 JWKJFDPASHZWQO-SFHVURJKSA-N 372.538 2.533 10 40 FFCB COc1cc2c(cc1OC)[C@@H]1CN(C2)Cc2c1cc(OC)c(OC)c2O 3847205 GDBPLVSBOLIGLL-AWEZNQCLSA-N 357.406 2.888 10 40 FFCB COc1ccc(O)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 12608364 RDGDBKPSKQEOCG-UHFFFAOYSA-N 356.422 2.510 10 40 FFCB Cc1cc(C(=O)CSc2n[nH]c(=O)n2C2CC2)c(C)n1-c1ccccn1 12533428 YHCVJFDPPZJOTP-UHFFFAOYSA-N 369.450 2.684 10 40 FFCB Cc1cc(=O)oc2c(CN3CCN(c4ccccn4)CC3)c(O)ccc12 79491738 LSQXYMSQCKRKFQ-UHFFFAOYSA-N 351.406 2.524 10 40 FFCB biogenic COc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1O 9188449 MSOGUKJPGBSNMB-JYVXZMADSA-N 351.449 2.781 10 40 FFCB O=C1N=C(O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(N2CCCC2)o1 8742632 ISRLAJVEBDEGBE-QBFSEMIESA-N 369.352 2.890 10 40 FFCB CCOc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OC 27369839 QODIIGQMCMGLQW-KPKJPENVSA-N 354.815 2.854 10 40 FFCB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(O)c1O 12645937 FMOKVXONTJYLKZ-ORAYPTAESA-N 370.405 2.852 10 40 FFCB Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1-c1ccccc1F 10072678 MKQPZHGGXJKRGY-UHFFFAOYSA-N 368.368 2.645 10 40 FFCB COc1ccc(/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1OC 13424026 OGLXPHHKRQZXID-GGTJGZGTSA-N 362.451 2.783 10 40 FFCB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408813808 VEHXBXHEKRPLIH-RVDMUPIBSA-N 350.374 2.978 10 40 FFCB Cc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c(C)n1C 16977818 ZGWMEVSYNYDFKQ-VGOFMYFVSA-N 367.361 2.877 10 40 FFCB CN1C(=O)C(=Cc2ccccc2OCc2ccccc2)C(=O)N(C)C1=O 993999 SHVOCLWTNHXRCS-UHFFFAOYSA-N 350.374 2.699 10 40 FFCB COc1ccccc1/C=C/C(=O)NCc1ccc(N2CCN(C)CC2)cc1 78578732 WUIFQNFLVVTQAH-FMIVXFBMSA-N 365.477 2.777 10 40 FFCB [O-][n+]1onc(-c2ccccc2)c1/N=N/c1c(-c2ccccc2)no[n+]1[O-] 4565301 ALNGBJGWEMLNDV-ISLYRVAYSA-N 350.294 2.679 10 40 FFCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(OC)c1 6709031 YXVKTCONVGAEIY-WQRHYEAKSA-N 364.401 2.963 10 40 FFCB CC[C@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1239045 JBULLNIQFJIPBY-AAIQCTMTSA-N 351.449 2.935 10 40 FFCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c1C 408595410 WPWKFMFJJFXTMZ-CXUHLZMHSA-N 367.405 2.688 10 40 FFCB Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Nc1ccc(O)c2ccccc12 11635273 WCGSBLGVOWGYLP-UHFFFAOYSA-N 369.402 2.824 10 40 FFCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(C(C)C)cc1 101470395 FLTFPXORXKIDOO-FCNRDGCESA-N 361.467 2.511 10 40 FFCB CC(=O)c1ccc(N2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 7076245 XYZCTKZSNQAOCN-UHFFFAOYSA-N 354.406 2.646 10 40 FFCB CN1CCCc2cc(CNC(=O)CCC(=O)Nc3nccs3)ccc21 60457234 RGZBLMRCDNYWCX-UHFFFAOYSA-N 358.467 2.561 10 40 FFCB COc1ccc(N2CCN(C(=O)c3csc(-n4cccc4)n3)CC2)cc1 44448341 DCUGIBOFFYUMRQ-UHFFFAOYSA-N 368.462 2.905 10 40 FFCB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 12533621 LQLRGIFXGQYHBM-MDZDMXLPSA-N 368.481 2.545 10 40 FFCB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(N)=O)c12 409137125 VFBDQDFOTCMHFP-QPEQYQDCSA-N 359.476 2.520 10 40 FFCB O=C1/C(=C/c2ccc(O)cc2O)C(O)=NC(=S)N1c1ccccc1F 59135789 BAGOAHNAVLTTGH-YRNVUSSQSA-N 358.350 2.909 10 40 FFCB COc1ccc(NS(=O)(=O)c2cccc3nsnc23)c(OC)c1 3326349 QSAWXUGRIGRUGQ-UHFFFAOYSA-N 351.409 2.509 10 40 FFCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC(C)(C)C 112118938 ZDJBQRJWZRMJHT-WJDWOHSUSA-N 374.397 2.523 10 40 FFCB COc1ccc2nc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)ccc2c1 6660752 QMOFGFWJIDRSBJ-ZROIWOOFSA-N 374.443 2.919 10 40 FFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1Cl 408741120 NZPVMCRWXKXEJP-UKTHLTGXSA-N 371.736 2.915 10 40 FFCB COc1ccc(OC)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 48332236 RGDLBXBZPJXHIA-UHFFFAOYSA-N 370.449 2.813 10 40 FFCB COCCN1C(=O)/C(=C\c2c(O)ccc3ccccc23)C(C(=O)OC)=C1C 408891671 AUILNIOMGDBYPC-ATVHPVEESA-N 367.401 2.864 10 40 FFCB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(O)c(O)c1 79192495 PKZNSRKLSOZQBD-QAPCUYQASA-N 368.341 2.660 10 40 FFCB biogenic Cc1ccc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C 216946527 KHQFFLJSUTVNAV-UHFFFAOYSA-N 367.493 2.750 10 40 FFCB O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1cccc(O)c1 6191649 IJKUNYVFDGZQNL-XYOKQWHBSA-N 362.457 3.000 10 40 FFCB COc1ccc(N2CCCN(CC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 52465816 UINDBMZZNDHKHP-XLIONFOSSA-N 359.514 2.902 10 40 FFCB COc1ccc(N2CCN([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1 58173749 USAACVLQPYPVKU-SFHVURJKSA-N 367.493 2.864 10 40 FFCB COCCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)SC1=S 2385548 ZQPFBLLLNVJLCL-ZSOIEALJSA-N 369.464 2.560 10 40 FFCB CCOC(=O)c1c(C)n[nH]c1/N=N/[C@@H]1C(=O)N(c2ccccc2)N=C1C 8426450 XRKZDEOLFAYVRH-WDWGUKLMSA-N 354.370 2.770 10 40 FFCB COc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1Br 4592218 JLZJYKNUPZZZSL-WDZFZDKYSA-N 355.213 2.564 10 40 FFCB C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373849 ZIRPBHXUJNQSEU-XHGAIERPSA-N 362.226 2.716 10 40 FFCB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CN1CCOCC1 27519532 VWUBCLUOHSQVGY-UKTHLTGXSA-N 354.884 2.831 10 40 FFCB Cc1cc([N+](=O)[O-])cc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1O 12659850 CTIPGICZGLESJX-RDJZCZTQSA-N 367.361 2.778 10 40 FFCB biogenic COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccco1 4999646 NIACIAQVOGGNJK-PDGQHHTCSA-N 371.368 2.748 10 40 FFCB O=C(OCC(=O)N1CCOCC1)c1ccccc1/N=N/c1ccc(O)cc1 7239080 JNZKDXGIQZSODB-QZQOTICOSA-N 369.377 2.823 10 40 FFCB CCN(CC)c1ccc(/C=C/c2nc3ncnn3c(O)c2[N+](=O)[O-])cc1 16678465 MGWUMKGVQAGWKY-JXMROGBWSA-N 354.370 2.755 10 40 FFCB COc1ccc(SCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 20108605 SENUWYULPWVWQX-UHFFFAOYSA-N 372.490 2.940 10 40 FFCB CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)Sc1nnnn1C1CC1 58224551 XOQGIMMBJKMILE-ZDUSSCGKSA-N 374.514 2.603 10 40 FFCB COc1ccc(-n2nnnc2COc2ccc3c(C)cc(=O)oc3c2)cc1 13655129 AZULJSRKFXTOHI-UHFFFAOYSA-N 364.361 2.665 10 40 FFCB biogenic COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 9044305 FEJWJIBSRLSJBZ-ZROIWOOFSA-N 368.345 2.916 10 40 FFCB CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cc(C(F)(F)F)ccc1=O 7086119 PJHGUPXNRKDIJL-UHFFFAOYSA-N 367.371 2.592 10 40 FFCB COCCCN1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)SC1=S 9189311 DHTLNVBVPOIPGR-LCYFTJDESA-N 369.464 2.647 10 40 FFCB Oc1cc2c(cc1[C@@H](Nc1ncccn1)c1ccc3c(c1)OCO3)OCO2 3053405 HHZXPZVNDPQYIP-SFHVURJKSA-N 365.345 2.841 10 40 FFCB COC(=O)/C=C/c1ccc(NCCc2ccc(O)c(O)c2)c([N+](=O)[O-])c1 95407823 KEEUWELWMNJYAF-QPJJXVBHSA-N 358.350 2.847 10 40 FFCB Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N)cc2)C3=O)cc1 4455710 JNLCKYWWDWKKES-UHFFFAOYSA-N 372.384 2.904 10 40 FFCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc2[nH]c(=O)[nH]c2c1 16160806 YOFPDEFRAZRDMB-ZROIWOOFSA-N 351.341 2.714 10 40 FFCB O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccncc1 5553129 LVHBCOYAXHVCRP-GRWPVRQFSA-N 357.416 2.777 10 40 FFCB CC[C@H](C)N1C(=O)/C(=C/Nc2ccc(N(CC)CC)cc2)C(=O)NC1=S 17247897 CDRHGIBNBRZWCX-HKJJFUAXSA-N 374.510 2.870 10 40 FFCB COc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1OC 858385 OGLXPHHKRQZXID-GAAFXGMGSA-N 362.451 2.783 10 40 FFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 408988032 QEDROIHVEMIKNV-PTNGSMBKSA-N 365.345 2.824 10 40 FFCB COc1cc(/C=C2/SC(=S)N(C)C2=O)c(Br)cc1O 9236613 RQCGOFQLVIBWBZ-ONNFQVAWSA-N 360.254 2.994 10 40 FFCB Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 216927361 DWXBEJUJVVIICK-UHFFFAOYSA-N 368.437 2.585 10 40 FFCB O=C1N=C(O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)C(=O)N1 4908810 FJDIQKKPGDFBJT-UHFFFAOYSA-N 360.713 2.629 10 40 FFCB COc1cc(Br)cc(/C=C2\SC(=S)N(C)C2=O)c1O 974734 SGQRPWKSBNPINH-WTKPLQERSA-N 360.254 2.994 10 40 FFCB CC(=O)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 23409204 HCFBANBNACXBKJ-UHFFFAOYSA-N 363.255 2.972 10 40 FFCB Cc1cc(/C=C2/C(=O)N(C)C(=O)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 1105348 GTJODDGEZASBKB-OQLLNIDSSA-N 368.349 2.934 10 40 FFCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(C)c2)C1=O 408937403 QPDAOAURXRGEGI-LFIBNONCSA-N 353.447 2.956 10 40 FFCB O=C(O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O 409128670 SZXQJPGMKNOHKD-NTUHNPAUSA-N 350.371 2.547 10 40 FFCB CC1(C)[C@@]2(C(=O)Nc3ccc(Br)cn3)CC[C@@]1(C)C(=O)C2=O 100628773 QYLRKFJKZWAAJG-HOTGVXAUSA-N 365.227 2.747 10 40 FFCB Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2cccnc2)SC1=S 1090164 RJHWRNMQUXZPMS-ZROIWOOFSA-N 355.444 2.936 10 40 FFCB CN(C)c1ccc(CN2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1 12134256 ASMOWGVHTNJYRG-KNQAVFIVSA-N 363.461 2.569 10 40 FFCB COc1ccc(-n2nnnc2CNC(=O)Nc2ccc(Cl)cc2)cc1 9571344 CKTAAULZKUZSRY-UHFFFAOYSA-N 358.789 2.646 10 40 FFCB Cc1cc(C(=O)N2CCO[C@H](C(N)=O)C2)c(C)n1-c1cccc(C(C)C)c1 50847569 SKOAQOYLTSMPRO-IBGZPJMESA-N 369.465 2.544 10 40 FFCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccccc1S(=O)(=O)O 100244817 MPYKTAKYPNUACE-DVEDPGPFSA-N 358.379 2.808 10 40 FFCB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccc(F)cc2)C1=O 13787449 FARSPBCBMWSRJD-LCYFTJDESA-N 361.423 2.710 10 40 FFCB COc1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 10113283 LYCVIJCVRGLQGM-IZZDOVSWSA-N 352.434 2.861 10 40 FFCB COc1ccccc1N/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O 6090320 HFDNBYWASCXSPQ-KAMYIIQDSA-N 351.362 2.582 10 40 FFCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 5899863 MGQXIIBLTNLNMI-JLATVTFTSA-N 365.432 2.870 10 40 FFCB O=C1N=C(N2CCOCC2)S/C1=C/c1cc([N+](=O)[O-])ccc1Cl 1877045 SRDXGVNVXNBJCA-XYOKQWHBSA-N 353.787 2.551 10 40 FFCB COc1ccc2c(c1)[nH]c1c(=O)n(CCc3ccc(O)c(O)c3)cnc12 2147304 JVRFXGXRBFCECJ-UHFFFAOYSA-N 351.362 2.540 10 40 FFCB biogenic COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(O)c1O 12645951 FMOKVXONTJYLKZ-YJYMSZOUSA-N 370.405 2.852 10 40 FFCB O=C(O)CCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 1774575 FTXCCIDLZNCNAX-FLIBITNWSA-N 352.393 2.661 10 40 FFCB COc1ccc(N2CCOC[C@]3(CCCN(C(=O)C4(F)CC4)C3)C2)cc1 1565544849 SNNBGQRLNWYKAX-LJQANCHMSA-N 362.445 2.643 10 40 FFCB O=C1N=C(O)/C(=C/NC2CC2)C(=O)N1c1ccc(Br)cc1 103226438 AGDIAIYEJVVNPV-XFFZJAGNSA-N 350.172 2.508 10 40 FFCB CC(C)c1nc2c(c(N3CCOCC3)n1)CCN(Cc1ccccc1O)C2 19453727 CLWRYUPCUIZXOF-UHFFFAOYSA-N 368.481 2.701 10 40 FFCB COc1ccc(N2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1 6745968 XYXHERRZJGCBKR-UHFFFAOYSA-N 355.438 2.805 10 40 FFCB Nc1nc(N)nc(-c2ccccc2/N=N/Nc2ccc([N+](=O)[O-])cc2)n1 17004096 IXCNHDZPECWNCL-UHFFFAOYSA-N 351.330 2.722 10 40 FFCB COc1ccc(N2CCN(CC(=O)Nc3cc(F)ccc3C)CC2)cc1 57720244 WVMXAOVKEWCQKE-UHFFFAOYSA-N 357.429 2.903 10 40 FFCB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 408999776 SJJNGUJGXUXOBJ-UHFFFAOYSA-N 351.406 2.967 10 40 FFCB Cc1cc(C(=O)NCC(C)(C)N2CCOCC2)c(C)n1-c1ccccc1 68920742 RIJUZZWWCPCGMI-UHFFFAOYSA-N 355.482 2.935 10 40 FFCB COc1ccc(N2CCN(CC(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 57363721 SGVNGACLNUURCE-MRXNPFEDSA-N 371.456 2.834 10 40 FFCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCCOC(C)C 4999624 XQERJEWWMJMPQS-CYVLTUHYSA-N 373.453 2.631 10 40 FFCB COc1ccc(N2CCOC[C@]3(CCCN(Cc4nccn4C)C3)C2)cc1 96229013 YTOBKWQVGBWDBE-NRFANRHFSA-N 370.497 2.548 10 40 FFCB O=C(O)CN1C(=O)/C(=C\c2ccccc2OC(F)(F)F)SC1=S 13269131 UJDXNGDCLDZTRG-WEVVVXLNSA-N 363.338 2.871 10 40 FFCB CCc1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 97173509 XNGJORZZJKYCJN-UHFFFAOYSA-N 354.450 2.985 10 40 FFCB CC(C)c1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 4291559 PUGZIOMTHQYEIX-LCYFTJDESA-N 371.505 2.899 10 40 FFCB O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 12908284 VWYFENLUIPMCLE-CQSZACIVSA-N 354.406 2.972 10 40 FFCB CC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 15013031 JZSOOUGFMUBDME-BOPFTXTBSA-N 364.357 2.587 10 40 FFCB COc1ccc(N2CCN(c3ccc4nnc(C(C)C)n4n3)CC2)cc1 32069503 UYPKLHWPYKXNRX-UHFFFAOYSA-N 352.442 2.583 10 40 FFCB Cn1cccc1/C=C1/SC(N2CCN(Cc3ccccc3)CC2)=NC1=O 19938225 NPSUOTCDUHKRJP-NBVRZTHBSA-N 366.490 2.813 10 40 FFCB CC1(C)C[C@@]2(C[C@](C)(C3=NC(Nc4ccccc4)=S=C3)OC2=O)C(=O)O1 102453019 JHJVATZHRKWPFP-RTBURBONSA-N 372.446 2.593 10 40 FFCB CN1C(=O)/C(=C/c2cn(CC(=O)NC3CC3)c3ccccc23)SC1=S 409126369 HQCOMSJIEVALCE-NVNXTCNLSA-N 371.487 2.751 10 40 FFCB O=S(=O)(Nc1ncccn1)c1ccc(/N=N/c2ncccc2O)cc1 18101724 UWZSTZGRKIQCGC-FMQUCBEESA-N 356.367 2.793 10 40 FFCB COCCOC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1792297 AOYIBUOYOCWVMW-PEHNMLCRSA-N 369.439 2.605 10 40 FFCB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 10113625 LNAVSAWXAFURJP-UHFFFAOYSA-N 361.423 2.674 10 40 FFCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)ccc1O 58865898 UITVMOFAROBZBQ-UHFFFAOYSA-N 353.168 2.908 10 40 FFCB Cc1ccc(COc2ccccc2C=C2C(=O)NC(=S)NC2=O)cc1C 408881178 KDWLSZWAEFPDJJ-UHFFFAOYSA-N 366.442 2.797 10 40 FFCB COC(=O)c1cccc(NC(=S)NCCN(C)c2ccc(OC)cc2)c1 225798688 ZOMMGVPWUGDURL-UHFFFAOYSA-N 373.478 2.905 10 40 FFCB COc1ccc(N2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 57836309 OUEPXFRPYVMSSE-UHFFFAOYSA-N 357.410 2.804 10 40 FFCB Cc1cc(O)c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C 24841327 KUEOQIDPLQBNML-UHFFFAOYSA-N 360.479 2.516 10 40 FFCB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 79192511 PKZNSRKLSOZQBD-MAUKXSAKSA-N 368.341 2.660 10 40 FFCB biogenic NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(Cl)c3)cc2)C1 55916250 MVJDEJKZUVTRGW-MRXNPFEDSA-N 371.868 2.972 10 40 FFCB O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)C1CCOCC1 84405074 SDPKPHXXXIDMNV-CYBMUJFWSA-N 372.387 2.954 10 40 FFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OC)c3)C2=O)cc1 408988398 QRKGUFCJERFMIF-ATVHPVEESA-N 350.374 2.924 10 40 FFCB COc1ccc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 41084827 AYNJKFDKMIKRPV-JCOXHHPGSA-N 369.450 2.758 10 40 FFCB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)CC1 32956414 DKEAFQFTRMINAX-UHFFFAOYSA-N 371.412 2.512 10 40 FFCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCC(C(N)=O)CC1 2295438 KFABYYJGZNSWDR-QURGRASLSA-N 373.413 2.549 10 40 FFCB COc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)O4)CC2)cc1 19498028 LBFWXCBHPHJRMG-KKSFZXQISA-N 368.477 2.874 10 40 FFCB CC1CCN(c2ccc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)cc2)CC1 19716040 NEJKRLNUWCNBBP-OAHLLOKOSA-N 362.499 2.696 10 40 FFCB COc1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 4797333 PDWYBVFGYQNJCB-WJDWOHSUSA-N 351.362 2.582 10 40 FFCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc3c(c2)OCO3)c1 4973752 PCLYOMYAVXRRKH-UHFFFAOYSA-N 356.378 2.513 10 40 FFCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)c1 409252374 XLXGNJVQCRJCPY-XNTDXEJSSA-N 352.415 2.840 10 40 FFCB CC(C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Cl 408963507 ZUCXLJNQVHLVIF-UHFFFAOYSA-N 352.843 2.726 10 40 FFCB CCN1C(=O)/C(=C/c2c(C)n(C)n(-c3ccccc3)c2=O)SC1=S 1601314 BOAVYQUNZUEVAH-UVTDQMKNSA-N 359.476 2.706 10 40 FFCB O=C1NC(=S)S/C1=C\c1cccc(/C=C2\SC(=S)NC2=O)c1 3845186 AYGXCXUMHDVVJU-OZDSWYPASA-N 364.498 2.664 10 40 FFCB CCN1C(=O)/C(=C\c2ccc(N3CCCCCC3)cc2)C(=O)NC1=S 5144124 SUYJUDOAPHGQEX-SSZFMOIBSA-N 357.479 2.714 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1C 408914241 OURXAOBRTRWUEZ-OQLLNIDSSA-N 354.337 2.809 10 40 FFCB COc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1 3242346 CNIGVLUIWKYYAR-UHFFFAOYSA-N 367.405 2.537 10 40 FFCB CCCCCCN1C(=O)NC(=O)/C(=C/Nc2ccc(NC(C)=O)cc2)C1=O 6782986 PXSDBWCSOBGWIR-VBKFSLOCSA-N 372.425 2.600 10 40 FFCB CC(C)(C)c1ccc(CN(/N=N/c2nonc2N)c2nonc2N)cc1 18067102 CHLSAWROSCESQS-PTGBLXJZSA-N 357.378 2.620 10 40 FFCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)C1 55916230 YDIJDABNANGDBJ-MRXNPFEDSA-N 371.868 2.972 10 40 FFCB Cc1ccc(/N=N\c2cc(C)ccc2N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 245232582 YFPIVGOSXSIEFG-NNTCPJPASA-N 371.437 2.958 10 40 FFCB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCOCC2)cc1 10113281 YJJMAZOGAJPNIM-BJMVGYQFSA-N 367.405 2.761 10 40 FFCB COc1ccc(N(CCC(N)=O)Cc2cn3cc(Cl)ccc3n2)cc1 12551728 FIKSKJGKXDIJRH-UHFFFAOYSA-N 358.829 2.878 10 40 FFCB Cc1c(Cc2ccccc2)c(=O)oc2c(CNC[C@@H](C)O)c(O)ccc12 8764700 KNZBSEZTYPMGCB-CYBMUJFWSA-N 353.418 2.868 10 40 FFCB biogenic C[C@@H]1CN(C(=O)C2CCN(Cc3cc4c(cc3O)CCC4)CC2)C[C@@H](C)O1 54470869 OWRDBBWPOJKKEI-HZPDHXFCSA-N 372.509 2.729 10 40 FFCB CCC1=NN2C(=N)/C(=C/c3ccc(OC)c(OC)c3OC)C(=O)N=C2S1 4812515 ZLMPIFFSSPUUHU-RYCCWKQWSA-N 374.422 2.742 10 40 FFCB CCCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N(C)C)cc1 32712267 DNEPUBNACYQJSB-UHFFFAOYSA-N 360.479 2.866 10 40 FFCB Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21 4703215 KWRFGOCWPYFEMH-CXUHLZMHSA-N 363.348 2.984 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)Cc1nnc(-c2ccco2)o1 15571714 UCPRXGHOBHLUMG-UHFFFAOYSA-N 354.410 2.798 10 40 FFCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)o1 408817433 NHUOESCXOXFMGH-ACCUITESSA-N 371.368 2.931 10 40 FFCB CCN1CCCc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)ccc21 11615986 DRJWKUUNLXEVSO-ZROIWOOFSA-N 362.476 2.745 10 40 FFCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(O)c3)C2=O)cc1 1203128 JBPOPKNABCCBIB-OQLLNIDSSA-N 366.373 2.888 10 40 FFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 5034426 XHTYXDUIHCSFBV-GDNBJRDFSA-N 366.373 2.630 10 40 FFCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 20528961 QARZFGFCNVRZAU-UHFFFAOYSA-N 357.366 2.692 10 40 FFCB COc1ccc(N2CCN(C(=O)CN[C@@H](C)c3cccs3)CC2)cc1 12557981 HMWUMKUHRDVNOI-HNNXBMFYSA-N 359.495 2.756 10 40 FFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(C)c2C)C1=O 5791387 LXHDJICPKGVGRD-WJDWOHSUSA-N 351.406 2.871 10 40 FFCB Cc1c(NC(=O)N(C)Cc2ccccc2O)c(=O)n(-c2ccccc2)n1C 47318502 SCUIFAKXWAZKKF-UHFFFAOYSA-N 366.421 2.854 10 40 FFCB C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NC(=O)N=C2O)[C@H](C)C1 4181708 VHLWLNSUOHUUMG-WDEREUQCSA-N 372.381 2.809 10 40 FFCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1C 408915559 XTHRTZRQZKWGEO-LFIBNONCSA-N 367.474 2.913 10 40 FFCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccccc3OC(C)C)S2)CC1 868834 FTVNSAHXZJYTGF-SFQUDFHCSA-N 373.478 2.608 10 40 FFCB CN(C)c1ccc(CNc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 23732143 VMHRKCYBNAUZMY-UHFFFAOYSA-N 360.483 2.544 10 40 FFCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)C1 55916229 YDIJDABNANGDBJ-INIZCTEOSA-N 371.868 2.972 10 40 FFCB CCN1C(=O)C(=Cc2cccn2-c2ccccc2)C(=O)N(CC)C1=S 408936125 FMZFONYAVVKZIX-UHFFFAOYSA-N 353.447 2.856 10 40 FFCB CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21 409393856 SRQJGMKERJZQFB-LFIBNONCSA-N 360.373 2.723 10 40 FFCB COc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(C(=O)O)cc3)C2=O)c1 9042807 NMXUZBJHFNVAKJ-OQLLNIDSSA-N 366.329 2.900 10 40 FFCB COc1ccc(N2CCN([C@H](C)C(=O)N(C)c3ccccc3)CC2)cc1 58126920 BVZKKNHTMSHACB-QGZVFWFLSA-N 353.466 2.869 10 40 FFCB CC(=O)N1[C@@H](C(=O)NCc2ccc(C)cc2)CS[C@@H]1c1ccccc1O 4699324 PIISJDXTMDICLB-YLJYHZDGSA-N 370.474 2.980 10 40 FFCB COc1ccc(N2CCN([C@@H](CNC(=O)C3CC3)c3ccco3)CC2)cc1 56946116 CFGQOWLQBPVJTQ-IBGZPJMESA-N 369.465 2.678 10 40 FFCB CCN1C(=O)C(=CN[C@@H](C)c2cccc(Cl)c2)C(=O)N(CC)C1=S 23641967 SKRXKUNJUAUIIU-NSHDSACASA-N 365.886 2.870 10 40 FFCB Cc1c(Cc2ccccc2)c(=O)oc2c(CNC[C@H](C)O)c(O)ccc12 25071740 KNZBSEZTYPMGCB-ZDUSSCGKSA-N 353.418 2.868 10 40 FFCB biogenic Cc1ccc(NC(=O)C[C@@H]2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 9025009 DIVHWSMXKFXKEJ-KBPBESRZSA-N 364.492 2.732 10 40 FFCB CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 12543731 DDXIEJJZEAEKFR-INIZCTEOSA-N 357.479 2.735 10 40 FFCB Cc1cc(C)cc(Cc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)c1 408883285 QNVYHPOPYWTEBG-UHFFFAOYSA-N 350.443 2.809 10 40 FFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc(Cl)c1 408948174 DYTLJFNBDJHLMK-NTUHNPAUSA-N 370.748 2.735 10 40 FFCB COc1cccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1O 41076269 PRQLNKGCRIDLSX-RCLKRNDKSA-N 370.312 2.582 10 40 FFCB N=C1/C(=C/c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC=NN12 5649639 PZPVLMVXWNUFOE-PEMMUPCOSA-N 366.358 2.748 10 40 FFCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1N1CCCCC1 4674909 PWAQRUWMVOJQAS-UHFFFAOYSA-N 357.479 2.584 10 40 FFCB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccc(C(=O)O)cc1 5774397 FKPXMYMYDFIGLL-CQSZACIVSA-N 370.386 2.982 10 40 FFCB Cc1cc([C@H](O)CN2CCN(c3ccc4c(c3)OCCO4)CC2)c(C)s1 19567899 ISKHZXWVXCAWEE-GOSISDBHSA-N 374.506 2.992 10 40 FFCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1OC 13343519 PTTVGWGQFZWUSK-XFXZXTDPSA-N 367.448 2.770 10 40 FFCB COc1ccc(OC)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1 13800176 ZIBSKCVAJHCBBI-LCYFTJDESA-N 367.448 2.770 10 40 FFCB CCc1nnc(NC(=O)NCc2ccc(N3CCSCC3)cc2)s1 47345436 CBACZDMSZUSLTI-UHFFFAOYSA-N 363.512 2.975 10 40 FFCB O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S 1916893 OTXLDXUEYYRUQY-UKTHLTGXSA-N 367.448 2.944 10 40 FFCB CCN(CC)CCN/C=C1\C(=O)N(CCC2=CCCCC2)C(=O)N=C1O 102511216 HNZHMQRUVNHKHA-PEZBUJJGSA-N 362.474 2.611 10 40 FFCB COc1c2c(cc3c1[C@@H](c1ccc(O)c(C(C)=O)c1O)N(C)CC3)OCO2 20113717 UZCMWPRPOSCPGR-QGZVFWFLSA-N 371.389 2.615 10 40 FFCB biogenic CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2O)N3)C1 6732646 AUEZELBAMVKWSY-OAHLLOKOSA-N 373.434 2.822 10 40 FFCB COC(=O)C1=CN(c2ccccc2)c2cc(F)c(F)cc2S1(=O)=O 38654863 LRFSZCKCTROVQW-UHFFFAOYSA-N 351.330 2.905 10 40 FFCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C 1150662 IFFZJMGANHBOFE-OQLLNIDSSA-N 357.410 2.612 10 40 FFCB CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 17218408 HXYGLTUSEVOSIG-GDNBJRDFSA-N 351.318 2.742 10 40 FFCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc2c(c1)OCO2 409135736 ZUPLRGIIQWUSIE-DHDCSXOGSA-N 352.371 2.816 10 40 FFCB CCCOC(=O)CN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 1792610 LAEIROCRCSULRQ-LCYFTJDESA-N 351.449 2.850 10 40 FFCB Cc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C(=O)NC2=S)c1 4833673 YAAUTAXFJOGMSQ-WQLSENKSSA-N 373.415 2.796 10 40 FFCB CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1ccc(C)c(Br)c1 100524839 KPCFIFMDHBMEAA-ZAUPALIDSA-N 354.233 2.672 10 40 FFCB CCCCC1(C)OC(=O)C(=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)C(=O)O1 34721512 NBCRVVQERJTLQA-UHFFFAOYSA-N 365.338 2.699 10 40 FFCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=S)NC3=O)c2C)cc1 2240813 WDERBXXNDGJEIE-YBEGLDIGSA-N 369.446 2.616 10 40 FFCB CNC(=O)c1ccc(CN[C@H](C)c2ccc(N3CCC(O)CC3)cc2)cc1 95420062 YYMOETIWIOTZQF-MRXNPFEDSA-N 367.493 2.858 10 40 FFCB O=C(O)CN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)SC1=S 2204104 SWDYMRUGEGFTAP-DHZHZOJOSA-N 352.437 2.556 10 40 FFCB CCCC1=C(C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)n2ncnc2N1 13126984 ZSHZTBWAIPHHEP-KRWDZBQOSA-N 355.442 2.976 10 40 FFCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2)c1 4673219 MXPOQUWLRPCZER-GZTJUZNOSA-N 366.442 2.831 10 40 FFCB COC(=O)c1ccccc1/C=C1/C(=O)NN(c2ccc(C)c(C)c2)C1=O 5618129 FAXIBLLLAPXVGG-BOPFTXTBSA-N 350.374 2.551 10 40 FFCB COc1ccc(N2CCN(C(=O)CSc3nc(C)cs3)CC2)cc1 4894371 XQHPABCXTZKFSM-UHFFFAOYSA-N 363.508 2.901 10 40 FFCB CCC12CN3CC(C)(CN(C1)C3c1cc(Br)ccc1O)C2=O 19324932 QJPDCZXXWKOVPY-UHFFFAOYSA-N 365.271 2.770 10 40 FFCB O=C1/C(=C\c2ccc3ncccc3c2)SC(=S)N1N1CCOCC1 9420342 CGHGUQKMJOZLKI-RVDMUPIBSA-N 357.460 2.683 10 40 FFCB CCc1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1 5716716 WLWCRZZNSPWNHA-PDGQHHTCSA-N 369.446 2.703 10 40 FFCB O=c1[nH]cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1O 18267801 FDLLLPKSSLZELX-FMQUCBEESA-N 371.378 2.692 10 40 FFCB COc1ccc(N2CCN(C[C@H](O)COC[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 106219706 SMNLDUGZCAETHA-IWFBPKFRSA-N 374.525 2.631 10 40 FFCB COc1ccc(N2CCN(C(=S)c3cccc(OC)c3O)CC2)cc1 9188025 CPLDTUPMIJBPJU-UHFFFAOYSA-N 358.463 2.907 10 40 FFCB CCCCN1C(=O)NC(=O)/C(=C/Nc2ccc(N(CC)CC)cc2)C1=O 6783082 ZTVDIGUACRWWPO-SSZFMOIBSA-N 358.442 2.707 10 40 FFCB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F 30324035 LAJRFFVPFURCLH-UHFFFAOYSA-N 352.431 2.721 10 40 FFCB O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1cccc(O)c1 1002930 LFJKZYQFENLASC-ZROIWOOFSA-N 356.428 2.938 10 40 FFCB COC(=O)Cc1c(C)c2ccc(O)c(CN3CCC[C@H](C)C3)c2oc1=O 2212790 KOAGEOMHLJIDSC-LBPRGKRZSA-N 359.422 2.754 10 40 FFCB aggregator COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Cl)c1OC 211655987 STXDKBSFWXQIHU-BJMVGYQFSA-N 373.839 2.643 10 40 FFCB CC1=NN(c2ccccc2)C(=O)/C1=C\NC(=O)Nc1ccc(C(=O)O)cc1 16160645 YJDRQYDRGSTYCU-WJDWOHSUSA-N 364.361 2.813 10 40 FFCB COc1ccc(N2CCN(C(=O)CCN3CCc4ccccc43)CC2)cc1 12538928 MBRXPXIQOCXHIT-UHFFFAOYSA-N 365.477 2.797 10 40 FFCB COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1F 10907370 YQRYUYZZESLRQU-UHFFFAOYSA-N 358.413 2.943 10 40 FFCB Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccccn2)SC1=S 1090182 KXFYJRQKTGLNHR-UVTDQMKNSA-N 355.444 2.936 10 40 FFCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1cccnc1 101152906 PWKZSDWBDXGDQU-ATVHPVEESA-N 351.366 2.776 10 40 FFCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N\c1ccc(C)c([N+](=O)[O-])c1 104204118 JQGZXEGDSVWTQD-MVZUJROASA-N 366.337 2.809 10 40 FFCB Cc1cc(O)c(CN2CCC(NC(=O)c3cnn(C)c3)CC2)cc1C(C)C 54520604 DHIOQNAOVRMEDG-UHFFFAOYSA-N 370.497 2.952 10 40 FFCB O=C1/C(=C/NN2CCCCC2)C(O)=NC(=S)N1c1ccccc1Cl 16973788 CESZYTJBMPBHBR-ZHACJKMWSA-N 364.858 2.802 10 40 FFCB O=C(NN1C(=O)CSC1=S)c1ccc(OCc2ccccc2)cc1 1452230 ZTVFPDDGKBUBTH-UHFFFAOYSA-N 358.444 2.771 10 40 FFCB Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccccc1F 42663992 CTWUFSIJAHNJRJ-SFHVURJKSA-N 364.442 2.540 10 40 FFCB Cc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)n1 409352253 WXGQVASXSDNGMB-XYOKQWHBSA-N 361.473 2.998 10 40 FFCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O 107721421 CMPMDMHSXFPQQD-MDWZMJQESA-N 360.753 2.604 10 40 FFCB COCc1ccc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)o1 95993492 SVQSFVAZNCIYAH-UHFFFAOYSA-N 367.785 2.600 10 40 FFCB COc1ccc(N2CCN(C(=O)/C=C/c3ccco3)CC2)c([N+](=O)[O-])c1 4125202 NVTIQVIKMPGXDL-FNORWQNLSA-N 357.366 2.558 10 40 FFCB Cn1c(-c2ccccc2)cnc1SCCCN1C(=O)NC(C)(C)C1=O 40089678 SYKIJRHIZLWRMH-UHFFFAOYSA-N 358.467 2.900 10 40 FFCB CC1(C)C[C@]2(C[C@](C)(C3=NC(Nc4ccccc4)=S=C3)OC2=O)C(=O)O1 102453023 JHJVATZHRKWPFP-MOPGFXCFSA-N 372.446 2.593 10 40 FFCB CCCN1C(=O)N/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 409230164 XEPYDBGXYGOKSQ-FMIVXFBMSA-N 352.232 2.818 10 40 FFCB Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O 409391783 JUIKWBJFJHWYAD-GHRIWEEISA-N 372.384 2.847 10 40 FFCB Cc1ccc(O)c(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)c1 13942462 IVSZCZGQMFPAAO-ZSOIEALJSA-N 373.206 2.925 10 40 FFCB C[C@H]1CCc2c(sc(NS(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1 7409928 BMCYOVMGRRXZGG-VIFPVBQESA-N 368.455 2.912 10 40 FFCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1C 408781811 FCBOVXHABAPKID-OVCLIPMQSA-N 357.797 2.962 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2c(c1)OCO2 32869835 VONHKLSBTVUWBD-UHFFFAOYSA-N 369.421 2.916 10 40 FFCB CCN1C(=O)C(=CNc2ccccc2Br)C(=O)N(CC)C1=O 5557271 QGRDTYZBECQFSP-UHFFFAOYSA-N 366.215 2.576 10 40 FFCB Cc1cc([C@@H](O)CN2CCN(c3ccc4c(c3)OCCO4)CC2)c(C)s1 19567896 ISKHZXWVXCAWEE-SFHVURJKSA-N 374.506 2.992 10 40 FFCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374607 QDLKSUSRJUMLQV-ODUNQGDFSA-N 358.444 2.912 10 40 FFCB CC(C)CN1C[C@](O)(c2ccc(OC(F)F)cc2)[N+]2=C1SCCC2 3227408 BKKQGFQAYJHYFX-KRWDZBQOSA-N 357.446 2.910 10 40 FFCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 27229482 CAPJZBRXIXDIIY-GXDHUFHOSA-N 357.460 2.880 10 40 FFCB O=c1cc([C@@H]2CCCN(Cc3ccccc3O)C2)nc(-c2cccnc2)[nH]1 72393043 MMDWJAQVPLMIKE-MRXNPFEDSA-N 362.433 2.917 10 40 FFCB COC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O 12961072 YHBLQKUCAYAHRQ-ZROIWOOFSA-N 371.418 2.698 10 40 FFCB CCN(CC)c1ccc(/C=C2\C(=O)N(c3nc(C)cc(=O)[nH]3)N=C2C)cc1 16678467 ATQIXTWUAQAXPD-ATVHPVEESA-N 365.437 2.731 10 40 FFCB C[C@@H](NCc1c(O)ccc2c(=O)c(Oc3ccccc3)coc12)C(=O)O 25076726 NTFZCLCPHOBFSK-LLVKDONJSA-N 355.346 2.854 10 40 FFCB biogenic CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCCN1CCOCC1 103918237 POQCFCQCFJAOCU-JZJYNLBNSA-N 370.497 2.775 10 40 FFCB COc1ccc2c(c1)CCCN2CC(=O)Nc1ccc2c(c1)oc(=O)n2C 19664339 ZDZYWFZFHYJZKJ-UHFFFAOYSA-N 367.405 2.531 10 40 FFCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1809406 OOSGNYOWWYPGRQ-QPEQYQDCSA-N 365.432 2.570 10 40 FFCB COc1ccc(OC)c(N2C(=O)/C(=C\c3cccn3C)C(O)=NC2=S)c1 2315738 LKNLWWBXVIQFFU-LCYFTJDESA-N 371.418 2.714 10 40 FFCB CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)NC1=S 408910870 LQUPDMKRBOKJDD-MHWRWJLKSA-N 370.405 2.661 10 40 FFCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccccn2)SC1=S 8644162 GKRSUDATVBWXRJ-UVTDQMKNSA-N 371.443 2.636 10 40 FFCB CN1C(=O)/C(=C\c2ccc(I)o2)SC1=S 5792897 BTMHRRFXALZZLQ-GQCTYLIASA-N 351.190 2.715 10 40 FFCB Cc1cc(C(=O)Nc2ccn(C)n2)c(C)n1-c1ccc2c(c1)OCCO2 28497345 QOFONOKVGZJPFU-UHFFFAOYSA-N 352.394 2.851 10 40 FFCB COc1ccc(N2CCN([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1 58126901 USAACVLQPYPVKU-GOSISDBHSA-N 367.493 2.864 10 40 FFCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 408807811 HUULXLUADAHBEZ-SFQUDFHCSA-N 366.373 2.760 10 40 FFCB N=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 18053423 GPWSJCAZCQBXIB-CYBMUJFWSA-N 358.745 2.800 10 40 FFCB Cc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] 216930397 FCFRLJDYGQALKY-UHFFFAOYSA-N 368.437 2.585 10 40 FFCB CC(C)OC[C@@H](O)Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 604405439 SUVHXNLAJLOFQS-AWEZNQCLSA-N 363.413 2.999 10 40 FFCB biogenic COc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(OC)c1 13343522 IWKOLNQWNOOBIW-JYRVWZFOSA-N 367.448 2.770 10 40 FFCB CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 100807857 HXYGLTUSEVOSIG-XNTDXEJSSA-N 351.318 2.742 10 40 FFCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 27229102 JPXWFFXESCCWTD-SEEODLKFSA-N 367.448 2.855 10 40 FFCB O=C(O)CCCN1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 6660712 IYZVSDVIOSVEDS-XFXZXTDPSA-N 359.432 2.696 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2ccccc2Cl)cc1 408877239 ULLVWQIKYRBXHC-UHFFFAOYSA-N 356.834 2.845 10 40 FFCB O=C(O)CCN1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 14671572 NBOLYQFRAGJTQE-ALCCZGGFSA-N 362.226 2.718 10 40 FFCB Nc1nonc1/N=N/N(Cc1c(Cl)cccc1Cl)c1nonc1N 59520317 VGHIINSYTGSDNT-LTGZKZEYSA-N 370.160 2.629 10 40 FFCB COc1ccc(N2CCN(c3nn4cnnc4c4ccccc34)CC2)cc1 27985667 YADLKABTZDOIFU-UHFFFAOYSA-N 360.421 2.613 10 40 FFCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1C 13551737 ZMNFFLWRBSJYBZ-LCYFTJDESA-N 357.410 2.612 10 40 FFCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccccc1Br 4690369 MTPJCVFORZQFRR-XFXZXTDPSA-N 353.241 2.752 10 40 FFCB COc1cc([C@H]2CC(c3ccccc3O)=NN2C=O)cc(OC)c1OC 66091607 QEHZTAFEIWTPSP-OAHLLOKOSA-N 356.378 2.726 10 40 FFCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1ccc(O)cc1 408536360 WGNNIAYAMFGMRZ-FMIVXFBMSA-N 357.753 2.624 10 40 FFCB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccccc2O)SC1=S 35038779 YUVCOSWLQXJCLP-RVDMUPIBSA-N 370.455 2.867 10 40 FFCB CC[C@H](C)Cn1c(C)c2c(cc1=O)N[N@@H+](c1nc3ccccc3s1)C2=O 669516779 YZVZFGKBBHGZOI-NSHDSACASA-O 369.470 2.510 10 40 FFCB Cc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc2c1O[C@H](C)C2 12062569 VFDKNKRFNAZAHT-GARZTLJTSA-N 363.460 2.994 10 40 FFCB COc1ccc(N(CCC(N)=O)Cc2nc(-c3cccs3)no2)cc1 22012803 NIBDCUTYHASEFL-UHFFFAOYSA-N 358.423 2.689 10 40 FFCB O=C1c2ccccc2-c2nc3[nH]c(=O)[nH]c(=O)c3c(-c3ccc(F)cc3)c21 18199545 XLKUPGYCPQCIML-UHFFFAOYSA-N 359.316 2.629 10 40 FFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc[nH]3)SC2=S)cc1 27230999 GLUPQOXSEOOMPM-UKTHLTGXSA-N 359.432 2.570 10 40 FFCB CCOC(=O)c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)nc1C 84798589 MQUHLDIOIARTEQ-UHFFFAOYSA-N 367.449 2.879 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(O)c1 408886756 LVNYHDXLKTZOQU-RIYZIHGNSA-N 372.764 2.721 10 40 FFCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccccc1 167131581 IJKTWSXHLRXOAF-OQLLNIDSSA-N 370.386 2.773 10 40 FFCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 5478127 JPXWFFXESCCWTD-GARZTLJTSA-N 367.448 2.855 10 40 FFCB Cc1cccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c1C 54285348 RDGVXCWEQLRZOQ-UHFFFAOYSA-N 354.450 2.835 10 40 FFCB CC(C)CN1C[C@@](O)(c2ccc(OC(F)F)cc2)[N+]2=C1SCCC2 3227407 BKKQGFQAYJHYFX-QGZVFWFLSA-N 357.446 2.910 10 40 FFCB Cc1cc(C)c(NS(=O)(=O)c2cccc3nsnc23)c(C(=O)O)c1 58266977 SNLNRANGZVXNFF-UHFFFAOYSA-N 363.420 2.807 10 40 FFCB COc1ccc(N2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)cc1 6603528 PMHCLOIIHTXFGW-UHFFFAOYSA-N 359.411 2.639 10 40 FFCB COc1ccc(N2CCN(C[C@@H](O)COC[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 101244260 SMNLDUGZCAETHA-WERVVEIQSA-N 374.525 2.631 10 40 FFCB CC(=O)N1[C@@H](C(=O)NCc2ccc(C)cc2)CS[C@H]1c1ccccc1O 4699327 PIISJDXTMDICLB-XLIONFOSSA-N 370.474 2.980 10 40 FFCB Cc1ccc(C)c(N2C(=O)/C(=C/NCc3ccccc3)C(=O)NC2=S)c1 5886341 UDPUMLRDYGGKKH-FOWTUZBSSA-N 365.458 2.725 10 40 FFCB O=C1[C@H](Cc2ccc3c(c2)OCO3)SC(=S)N1Cc1cccnc1 6970950 DKAJOVHYEQDXGL-HNNXBMFYSA-N 358.444 2.782 10 40 FFCB Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccccn1 12533426 RWWSEAMNSHBSPO-IYBDPMFKSA-N 363.417 2.623 10 40 FFCB COc1cccc(-n2c(C)cc(C(=O)N3CCCC[C@@H]3CC(N)=O)c2C)c1 65491352 ODLHQARCBTYSGG-MRXNPFEDSA-N 369.465 2.973 10 40 FFCB COC(=O)CCc1c(C)c2ccc(O)c(CNCc3ccco3)c2oc1=O 8879296 NUZATEBDILGDOS-UHFFFAOYSA-N 371.389 2.795 10 40 FFCB biogenic COc1cc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(C)cc3)C2)ccc1O 95945874 NODASHJATZNRDK-INIZCTEOSA-N 360.435 2.820 10 40 FFCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)o2)cc1 408914166 ODUKYRXSJUFCSO-UKTHLTGXSA-N 358.444 2.996 10 40 FFCB CCOCc1cc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)ccc1OC 12366585 XDIJONXSQHFVOU-VQIMIIECSA-N 360.454 2.875 10 40 FFCB Cc1ccc(-n2nnnc2SCC(=O)c2ccc(O)c(O)c2)cc1C 1440508 ZGBHFTNWGLCSAN-UHFFFAOYSA-N 356.407 2.665 10 40 FFCB CCN(CC)c1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1 105739776 GMZVGIFKARLICM-CMQZKQKJSA-N 358.507 2.507 10 40 FFCB CCOc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)OC)C2=O)ccc1O 12635828 YMBAACNTCJKWHD-PGEKAQRJSA-N 367.448 2.554 10 40 FFCB CC(C)c1ccc(/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 27533504 PUGZIOMTHQYEIX-UKTHLTGXSA-N 371.505 2.899 10 40 FFCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(Br)cc1F 8726728 KRXBGZTXQJIUQC-GHXNOFRVSA-N 371.231 2.891 10 40 FFCB CCc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1 96930762 LLYQVBPPZJUDEU-DTQAZKPQSA-N 362.520 2.782 10 40 FFCB Cc1cc(C)cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 48369182 UVPYYKQCSBEKPL-GOSISDBHSA-N 365.477 2.935 10 40 FFCB O=C(O)/C=C\C(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1O 80316229 NGPXTDHGFCPHIB-ZBTGYSDGSA-N 354.337 2.850 10 40 FFCB Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1ccc2c(c1)OCO2 8193789 JFMUZMUAFLVIRR-UHFFFAOYSA-N 355.419 2.974 10 40 FFCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O 408903396 SSGJLTXRCICKRV-GXDHUFHOSA-N 370.336 2.596 10 40 FFCB COc1ccc(N2CCN(C(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)CC2)cc1 102348693 XKGNPLCCZKGCJF-WZGNDQMWSA-N 370.493 2.675 10 40 FFCB COCCCN1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 9189310 RQUQAHPCIREVNY-UVTDQMKNSA-N 353.465 2.942 10 40 FFCB COc1ccc(-c2nnc3n2N=C(c2ccc(O)c(O)c2)CS3)cc1 3911147 BIXYDBOEQCALLU-UHFFFAOYSA-N 354.391 2.723 10 40 FFCB O=C1/C(=C/NNc2cccc3ccccc23)C(O)=NC(=S)N1C1CC1 5092921 OZFNMQQKZASEPI-GXDHUFHOSA-N 352.419 2.886 10 40 FFCB aggregator Oc1ccccc1CN1C[C@H](O)C[C@H]1c1nc(Cc2ccccc2)no1 15674638 DNLDXTVNJSEHBA-SJORKVTESA-N 351.406 2.674 10 40 FFCB biogenic,in-vitro CN(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)Nc1ccccc1 28318303 NQIHEAFIGYQAPD-UHFFFAOYSA-N 354.454 2.923 10 40 FFCB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\c3ccc(C)s3)C2=O)c1 986675 IUMDIRSOTMHWFH-UKTHLTGXSA-N 372.402 2.740 10 40 FFCB Cc1csc([C@@](O)(CC(=O)N(C)Cc2ccccc2O)C(F)(F)F)n1 58304614 DDZXXEWWCGPEEV-HNNXBMFYSA-N 374.384 2.956 10 40 FFCB CN1CCCc2cc(CNC(=O)Cn3ccc(=O)c4ccccc43)ccc21 83878047 LDRIIFKKIHKZKK-UHFFFAOYSA-N 361.445 2.700 10 40 FFCB COc1ccccc1-c1coc2c(CN(C)CC(=O)O)c(O)ccc2c1=O 94993345 CTBNLNHFUCIVAL-UHFFFAOYSA-N 369.373 2.691 10 40 FFCB CC(=O)NN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=S 1022090 WRVXJAOGSSEWOP-BENRWUELSA-N 371.896 2.962 10 40 FFCB CCOC(=O)Cn1cc(/C=C2/C(=O)N(CC)C(=O)N=C2O)c2ccccc21 5947734 XYMXALLQWPWOKS-NTEUORMPSA-N 369.377 2.526 10 40 FFCB CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(O)cc3)S2)C1 4619963 YPXFGONQVCSUHQ-LERPTODRSA-N 360.435 2.638 10 40 FFCB CN1CCN(CN2C(=O)/C(=C\c3cccnc3)c3ccc(Cl)cc32)CC1 20647735 CLJYHMNIBIOPDZ-WQRHYEAKSA-N 368.868 2.827 10 40 FFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3[N+](=O)[O-])C2=O)c1 59426636 AXFJVQQNDYSAPL-XNTDXEJSSA-N 365.345 2.878 10 40 FFCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(C)c3C)C2=O)c1 5654379 YKUNVYHEPNWSJO-YVLHZVERSA-N 367.405 2.707 10 40 FFCB CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 4362471 YRGRIELIEBNZOW-UHFFFAOYSA-N 369.442 2.883 10 40 FFCB COc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 5097860 JLPSYLJPURFPHK-SFHVURJKSA-N 371.481 2.559 10 40 FFCB CN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC1=S 20310802 AXOPDQCYOLJJEZ-PTNGSMBKSA-N 371.487 2.902 10 40 FFCB Cc1cc(O)c(CN2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1C 54470731 WOPMBSGXTKJQBT-IAGOWNOFSA-N 360.498 2.857 10 40 FFCB COc1cccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097861 HMKVRCRTPLUARS-HXUWFJFHSA-N 371.481 2.559 10 40 FFCB CN(C)c1ccc(CNC(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 40072769 SOEPJXPUPXRQOM-UHFFFAOYSA-N 363.465 2.997 10 40 FFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(OC)cc3)S2)CC1 1301952 CHWFMJBVNDEANP-VBKFSLOCSA-N 374.462 2.941 10 40 FFCB CCc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 26687250 MAKMYOFOHUCGCB-CKXDQPNJSA-N 367.517 2.637 10 40 FFCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 10057305 NHSVWBFNRKJNHW-ZDUSSCGKSA-N 366.870 2.664 10 40 FFCB Cc1cc(C(=O)CSc2nc(N)nc(N)n2)c(C)n1-c1ccc(F)cc1 7181293 RPXJAHYCTOJTHX-UHFFFAOYSA-N 372.429 2.558 10 40 FFCB N#CCOc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33643299 QBFZAKSNRFMPBO-PTNGSMBKSA-N 353.765 2.704 10 40 FFCB CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccco4)cc3)C(=N)N2O1 41078387 UKLPKCAPXPJOFB-KPZJPCGCSA-N 363.329 2.949 10 40 FFCB O=C(NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1cccc(O)c1 1017748 ZIXMZMOPNULOOQ-ZSOIEALJSA-N 372.427 2.644 10 40 FFCB Nc1nn2c(=O)c3c([nH]c2c1/N=N/c1ccc2c(c1)OCO2)CCCC3 4649603 OPWYIFHKRZZDOC-QZQOTICOSA-N 352.354 2.628 10 40 FFCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccncc1 20289464 UJTVHUGPOKAYTM-NBVRZTHBSA-N 364.474 2.870 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1cccs1 26524042 BRGMJNZBHMVHFV-UHFFFAOYSA-N 359.495 2.969 10 40 FFCB COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@@H]3C)CC2)cc1 6586606 MCIPGONPUORAQW-KRWDZBQOSA-N 365.477 2.795 10 40 FFCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(O)cc1 409126400 NUIKUOFOJZOQNA-OVCLIPMQSA-N 372.402 2.921 10 40 FFCB COc1ccc(-n2nnnc2CNC(=O)Cc2cccc3ccccc23)cc1 9570395 JAUNJTNPOAKOMM-UHFFFAOYSA-N 373.416 2.683 10 40 FFCB COc1ccc(-n2nnnc2CNC(=O)c2ccc3ccccc3c2)cc1 9570383 ZHJSLBWXKONOIU-UHFFFAOYSA-N 359.389 2.754 10 40 FFCB CCc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)cc1 408999469 LHNYNTMLSBZYTA-BOPFTXTBSA-N 351.406 2.748 10 40 FFCB CCOc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 5610452 YCXZSSHRDJVAQZ-FOWTUZBSSA-N 351.362 2.664 10 40 FFCB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)ccc1O 5952738 WOMLQRHGMNECKX-GFCCVEGCSA-N 371.256 2.511 10 40 FFCB CSc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)s1 8206602 WWEGHQRBSHQOAD-UHFFFAOYSA-N 354.526 2.735 10 40 FFCB CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 409408983 SISNGNMRLTZPTQ-VBKFSLOCSA-N 352.390 2.945 10 40 FFCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\C=C\c1ccccc1 17146086 FARYOKAWTPICDA-WCTLISOUSA-N 367.430 2.696 10 40 FFCB COc1ccc(N2CCC(NC(=O)c3ccc4c(c3)COCO4)CC2)cc1 74346007 HBWDGZDVGFNZQQ-UHFFFAOYSA-N 368.433 2.961 10 40 FFCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1C(C)(C)C 409392636 NACNYDKOUUAFQI-LFIBNONCSA-N 366.421 2.921 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(O)cc3)C2=O)cc1C 75278414 VAYCAMIBKVTXFZ-MHWRWJLKSA-N 351.362 2.588 10 40 FFCB O=C(NN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)c1ccccc1O 13786141 VJKKOTKDLFOPEZ-NTEUORMPSA-N 372.427 2.644 10 40 FFCB Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1-c1ccccn1 101474239 RWWSEAMNSHBSPO-HOTGVXAUSA-N 363.417 2.623 10 40 FFCB Cc1cc(C(=O)[C@@H](C)N2CCNC(=O)C2)c(C)n1-c1ccc(Cl)cc1 57752338 FKHNMEGBEQRACQ-CQSZACIVSA-N 359.857 2.751 10 40 FFCB O=C(O)/C=C\C(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1O 80316321 BINHIVBSKSAXBB-YDZSZYSISA-N 354.337 2.850 10 40 FFCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)cc1 2355646 FHNSBZWBGKQUHS-MHWRWJLKSA-N 353.447 2.659 10 40 FFCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NNc1ccc(F)cc1 12861983 WESJXUWWQMBTEP-YBEGLDIGSA-N 355.329 2.957 10 40 FFCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)c1 19797740 PUYXGTCPUGQDOM-SXGWCWSVSA-N 361.357 2.843 10 40 FFCB biogenic CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCCc1ccccn1 18265687 SNUXPEDLKAYUEG-QGOAFFKASA-N 365.393 2.819 10 40 FFCB CC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(N(C)C)cc1)C2=O 22366667 COPCIFVXEUHKSO-UHFFFAOYSA-N 358.486 2.643 10 40 FFCB COC(=O)c1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 48008857 SCMRZKZYSGICHT-UHFFFAOYSA-N 369.421 2.836 10 40 FFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC)C1=O 408873599 STHHGQNZXLUIKK-QINSGFPZSA-N 350.374 2.924 10 40 FFCB CCOC(=O)CN1C(=O)/C(=C\c2ccc(OCC)cc2)SC1=S 1277085 MGRUDYFJVZFWQI-UKTHLTGXSA-N 351.449 2.850 10 40 FFCB COc1ccc(N2CCN(C[C@@H](O)COC[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 106219708 SMNLDUGZCAETHA-VNYTWHDVSA-N 374.525 2.631 10 40 FFCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1O 13661723 JRWPPLFECHOETB-ZROIWOOFSA-N 370.336 2.596 10 40 FFCB CC[C@@]1(O)CCc2c(O)c3c(c(O)c2C1)C(=O)c1cccc(OC)c1C3=O 39307896 FGHXRNYXQQVEDV-OAQYLSRUSA-N 368.385 2.512 10 40 FFCB Cc1ccc(CN2C[C@H](C(=O)NCc3ccc(N(C)C)cc3)CC2=O)cc1 18214872 VAXSOMQEPGLBLT-LJQANCHMSA-N 365.477 2.726 10 40 FFCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CC(N)=O)c2ccccc12 108202729 LQUNDKGUNLMAHV-WOJGMQOQSA-N 358.401 2.933 10 40 FFCB Cn1c(=O)c2c(-c3ccccc3)c3c(nc2n(C)c1=O)-c1ccccc1C3=O 8512123 DPPKCGYKQPJGQI-UHFFFAOYSA-N 369.380 2.511 10 40 FFCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 409204481 HYDWFDZHCPNUJR-LGMDPLHJSA-N 355.438 2.937 10 40 FFCB COc1ccc(N2CCC[C@@]3(C2)CN(c2ncc(C)cn2)CCO3)cc1 96074756 BQTYXTLCBXVSBX-HXUWFJFHSA-N 354.454 2.669 10 40 FFCB COc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)C(=O)NC2=S)cc1 849713 HOJQDYPFKRXKOD-XNTDXEJSSA-N 356.378 2.666 10 40 FFCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc(Br)cn1)C(=O)C2=O 2394502 QYLRKFJKZWAAJG-JKSUJKDBSA-N 365.227 2.747 10 40 FFCB COc1ccc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1OC 33317849 JKSUGNLQOXNRJD-OOJRFANJSA-N 358.423 2.979 10 40 FFCB COc1ccc(NC(=O)COC(=O)c2ccc(C)c(O)c2O)cc1Cl 58178164 QNZPCXGCUBULCD-UHFFFAOYSA-N 365.769 2.864 10 40 FFCB CN1C(=O)C(=Cc2ccc(-c3nc4ccccc4s3)o2)C(=O)N(C)C1=O 12926294 QLDFHHJOOBJPDL-UHFFFAOYSA-N 367.386 2.990 10 40 FFCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nn1c(C)nc2ccccc2c1=O 13127832 JZWYQZMNFNSMQI-PDGQHHTCSA-N 373.416 2.863 10 40 FFCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 13496676 NMJGZBDETNIMOZ-ATVHPVEESA-N 367.405 2.788 10 40 FFCB COc1ccc(N2CCC[C@@]3(CN(Cc4cccnc4)CCO3)C2)cc1 96226313 LLADJPYYOTYSNG-OAQYLSRUSA-N 353.466 2.962 10 40 FFCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/NN1C(=O)c2ccccc2C1=O 98087119 VIUIFUQMHXFQTC-WOJGMQOQSA-N 374.400 2.711 10 40 FFCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N3CCCC3)o2)C1=O 1186163 DBUUXPJIHDEXEH-QINSGFPZSA-N 365.389 2.855 10 40 FFCB COc1ccccc1-n1c(C)cc(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)c1C 19567594 QDJHKJHJZRIVIJ-PWIZWCRZSA-N 369.509 2.742 10 40 FFCB CCOc1ccc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(C)=C2C(=O)OC)cc1 59435627 ZHKHNSSNDMTRGO-ZCWPUFOUSA-N 371.433 2.937 10 40 FFCB Cc1ccc(NC(=O)C2CCN(Cc3cc4c(cc3O)OCO4)CC2)nc1 57090498 ZMHPJWKRDHTOOH-UHFFFAOYSA-N 369.421 2.675 10 40 FFCB Cc1cc(C(=O)COC(=O)[C@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCO2 7180868 DBLRUMYWWWYXSB-GOSISDBHSA-N 371.389 2.728 10 40 FFCB O=C(NN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)c1cccs1 409338078 CPPBBGSLLAXRJQ-XYOKQWHBSA-N 362.457 3.000 10 40 FFCB O=C(CC1CC1)N1Cc2cc(N3CCOCC3)ccc2[C@H]1c1cnco1 96087013 BLWSNCAIRPQYCC-FQEVSTJZSA-N 353.422 2.743 10 40 FFCB OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1cccc(F)c1O 585292702 NNPVDAKSKQFYFZ-QGPMSJSTSA-N 351.805 2.506 10 40 FFCB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1C(=O)c1cccnc1 973209 YMDLMBFRGZXFEO-AUWJEWJLSA-N 370.411 2.852 10 40 FFCB O=C(O)CCCN1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 11690033 TVGGMWWAMQXRSI-LCYFTJDESA-N 359.432 2.696 10 40 FFCB CC(=O)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108974473 KHXMQMLDQOOUBX-GDNBJRDFSA-N 356.765 2.727 10 40 FFCB CCCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1O 2069765 QRSQNGHRDKAAHX-UHFFFAOYSA-N 365.407 2.768 10 40 FFCB C[C@@H]1CCc2c(sc(NS(=O)(=O)c3ccccc3)c2C(N)=O)C1 13071632 OTYITGCIULEXBH-SNVBAGLBSA-N 350.465 2.773 10 40 FFCB Cc1cc(C(=O)N[C@@H](C)CO)c(C)n1-c1ccc(Br)cc1 97204485 LNBOCGZUVHEAFL-JTQLQIEISA-N 351.244 2.967 10 40 FFCB O=C(O)CCn1cc(/C=C2\SC(=S)NC2=O)c(-c2ccccc2)n1 12616805 DQPAROZMMGNIBJ-WQLSENKSSA-N 359.432 2.514 10 40 FFCB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(O)c1O 12645946 FMOKVXONTJYLKZ-BFUOFWGJSA-N 370.405 2.852 10 40 FFCB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1cccc(C(=O)O)c1 16922821 GQEGPJMVSVNOGM-CQSZACIVSA-N 370.386 2.982 10 40 FFCB O=C(Cc1noc2ccccc12)NCc1ccc(N2CCOCC2)c(F)c1 55523492 UKUUYXCTXCVTQL-UHFFFAOYSA-N 369.396 2.662 10 40 FFCB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 39975993 LEWAVDNKNRYHID-MRXNPFEDSA-N 369.440 2.903 10 40 FFCB C[C@H](NC(=O)c1c[nH]c2ncccc12)c1ccc(N2CCOCC2)cc1 65598080 YCBRAQWGVUMAOI-AWEZNQCLSA-N 350.422 2.891 10 40 FFCB CN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 42117914 YAMIULILAHKGSH-SFHVURJKSA-N 364.445 2.892 10 40 FFCB COc1ccccc1/N=N/[C@H]1C(=O)N(c2ccccc2)N=C1NC(C)=O 102151769 BYFVGEUWZYVZGO-FVGNFYTDSA-N 351.366 2.644 10 40 FFCB Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2cccn2C)SC1=S 5478149 WRXWWXMYLNCGCA-UVTDQMKNSA-N 357.460 2.880 10 40 FFCB CCCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC 2920223 ZQGJPTAMOXUTJZ-FOWTUZBSSA-N 352.390 2.945 10 40 FFCB COc1ccc(N2CCN([C@H](C)C(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 57548159 TVJMMSPQHGUNHP-KZNAEPCWSA-N 359.514 2.710 10 40 FFCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S 13690617 GKUSJNWWGKUETN-MAUPQMMJSA-N 373.459 2.940 10 40 FFCB COc1cccc2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)nc12 6660926 NOPNKMSXCYAYDX-GHXNOFRVSA-N 360.416 2.529 10 40 FFCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 13734011 XVYATKFXIWJFDR-ICDLMJIXSA-N 373.459 2.940 10 40 FFCB O=c1cc([C@H]2CCCN(Cc3ccccc3O)C2)nc(-c2ccncc2)[nH]1 72392884 YYWCRZHQLXLBPN-INIZCTEOSA-N 362.433 2.917 10 40 FFCB Cc1cccc(N2C(=O)/C(=C/Nc3ccccc3F)C(=O)NC2=S)c1 13382260 OCAFIQKSBPTGKK-JLHYYAGUSA-N 355.394 2.878 10 40 FFCB O=C1NC(=S)S/C1=C\c1ccccc1/C=C1/SC(=S)NC1=O 12375281 JEQMBWFFDOWBDS-VTBWALSUSA-N 364.498 2.664 10 40 FFCB CN1CCc2cc([C@@H](CNC(=O)C3CCCCC3)N3CCOCC3)ccc21 22733292 WRFMDRGRJLKJIJ-OAQYLSRUSA-N 371.525 2.749 10 40 FFCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)O 33524535 WKBHNVYXDRWIJS-MHWRWJLKSA-N 366.373 2.965 10 40 FFCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 4457177 MOCPVADVFTVENA-YGRGUWMTSA-N 360.435 2.885 10 40 FFCB CC1=CC(C)(C)N(C)c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc21 113813143 HZCZSVCXUNMBRQ-UHFFFAOYSA-N 353.422 2.752 10 40 FFCB O=C(C[C@H]1SC(=S)N(Cc2ccco2)C1=O)NC1CCCCC1 9189409 JNCFNXIQXZMWLY-CYBMUJFWSA-N 352.481 2.848 10 40 FFCB NC(=O)C1CCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CC1 8164418 UJJJZGXLLZHCCT-JXMROGBWSA-N 355.482 2.804 10 40 FFCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 409394028 UOXBRYOFWWICMR-VLURKWGBSA-N 365.389 2.925 10 40 FFCB Cc1cc(C(=O)NC2CCC(O)CC2)c(C)n1-c1ccc2c(c1)OCCO2 72037289 ZZRZEXZZCIKVFG-UHFFFAOYSA-N 370.449 2.899 10 40 FFCB CC(=O)Oc1ccc(/C=C2\SC(=S)NC2=O)cc1Br 408755021 TTZKVILJXFSGTJ-YHYXMXQVSA-N 358.238 2.863 10 40 FFCB O=C(O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 261365947 WKUNHKMOLNFUDL-MDWZMJQESA-N 350.371 2.547 10 40 FFCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccnc2)SC1=S 1805472 SOXZZAZQUQZHJV-MKRLJBPISA-N 370.455 2.979 10 40 FFCB COc1ccccc1N1C(=O)/C(=C/c2sccc2C)C(=O)NC1=S 409167037 IAKLSRUOMFYKNZ-PKNBQFBNSA-N 358.444 2.896 10 40 FFCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccncc1 7498890 GOVXFTKVWQOFMN-VKAVYKQESA-N 350.447 2.874 10 40 FFCB Cc1ccc(N2C(=O)N=C(O)/C(=C/NN3CCCCCC3)C2=O)cc1C 38177413 KAYQSXYGHFSTDZ-VBKFSLOCSA-N 356.426 2.991 10 40 FFCB Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 10113284 YIHUTWJTHNYQAE-UHFFFAOYSA-N 355.394 2.670 10 40 FFCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408940913 VPBXNLKHNNIFOG-XNTDXEJSSA-N 351.318 2.570 10 40 FFCB CC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 4797340 FCRRJPDIPGQGBK-BOPFTXTBSA-N 363.373 2.776 10 40 FFCB Cc1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)c([N+](=O)[O-])c1 5745039 FXPBGHAVSYKHNZ-UHFFFAOYSA-N 369.333 2.597 10 40 FFCB CN(C)c1ccc(CN2CCC3(CC2)C[C@@H](Nc2ncccn2)CO3)cc1 96221642 RMHOOIAYIIWCRS-GOSISDBHSA-N 367.497 2.778 10 40 FFCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 2398497 ONAHAUQTOJMIRQ-UHFFFAOYSA-N 356.422 2.675 10 40 FFCB O=[N+]([O-])c1cc(/C=C2/SC(=S)N=C2O)ccc1N1CCOCC1 33400057 BXDIEMZNWWZJGI-XYOKQWHBSA-N 351.409 2.761 10 40 FFCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 225839924 IUFYTDMOPGQPDF-AWEZNQCLSA-N 372.494 2.974 10 40 FFCB C[C@@H]1CCC[C@@H](N/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@@H]1C 20462953 XJMUZMBWWFXJKP-FLTJOUMLSA-N 355.438 2.563 10 40 FFCB COc1ccc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1OC 3902548 OGLXPHHKRQZXID-LNDOMPNFSA-N 362.451 2.783 10 40 FFCB CCOc1ccc(N2CCN(CC(=O)NCc3ccccc3C)CC2)cc1 89991136 DAFHHPJLNLFPPE-UHFFFAOYSA-N 367.493 2.832 10 40 FFCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC(C)C 33701837 GVANKWSRWFLLMV-VBKFSLOCSA-N 352.390 2.944 10 40 FFCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3cc(C)on3)sc2n1 10645034 KIQXURXCEWPGHO-UHFFFAOYSA-N 360.395 2.587 10 40 FFCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 409214593 WHHKHDISHLEZCD-RIYZIHGNSA-N 371.736 2.915 10 40 FFCB O=C(O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 409126257 OEQRRJKMBAIXHA-RIYZIHGNSA-N 364.398 2.937 10 40 FFCB COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1OC 19909776 POUGOEFZYGQTHG-FQEVSTJZSA-N 373.405 2.560 10 40 FFCB COCCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 409249345 TZAXDQKYJJACGV-DTQAZKPQSA-N 362.451 2.596 10 40 FFCB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccc(F)cc2)C1=O 2444192 FARSPBCBMWSRJD-UKTHLTGXSA-N 361.423 2.710 10 40 FFCB CC1CCN(C2=NN3C(=N)/C(=C\c4ccc(O)cc4)C(=O)N=C3S2)CC1 5342211 RHCSLMWPLLBUHJ-DVYIFPGJSA-N 369.450 2.701 10 40 FFCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 5718582 QLGDGKNMTSOJLA-LFIBNONCSA-N 354.337 2.891 10 40 FFCB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408804325 XPAQZVSBIDLARJ-FOWTUZBSSA-N 366.373 2.847 10 40 FFCB Cc1ccc(C)c(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c1 14190507 YBPOKYZPDPAQPW-VBKFSLOCSA-N 362.520 2.837 10 40 FFCB COc1ccc2c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c[nH]c2c1 6661084 DBBIVAFANPYHAC-MLPAPPSSSA-N 362.432 2.852 10 40 FFCB CCN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2O)NC1=S 409005478 DZABLVQYVIPVLR-WTKPLQERSA-N 361.648 2.886 10 40 FFCB COc1ccc(C2=NN[C@@H](c3cc4c(c(OC)c3OC)OCO4)C2)c(O)c1 35324273 PCMWKZWXMPQOTJ-CQSZACIVSA-N 372.377 2.585 10 40 FFCB CN(C)c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1[N+](=O)[O-] 59489876 FBYPZXHSKBJCRI-UHFFFAOYSA-N 360.366 2.805 10 40 FFCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)OC)C2=O)cc1 12635812 BMXBXUSYPUHEGJ-AVMBBCFPSA-N 351.449 2.848 10 40 FFCB O=C1/C(=C/NN2CCCCC2)C(O)=NC(=S)N1c1ccc(Cl)cc1 34237671 PBWBUGCQMQVZOH-JLHYYAGUSA-N 364.858 2.802 10 40 FFCB COc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc(OC)c1O 13108280 LCDXUZNGCMXPDM-MLPAPPSSSA-N 374.780 2.524 10 40 FFCB Cc1cccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097845 CFEXZFANCJDMCQ-HXUWFJFHSA-N 355.482 2.859 10 40 FFCB CCOC(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)C)cc1 1441615 IWUJEXSCYGXFPP-QGZVFWFLSA-N 354.410 2.980 10 40 FFCB CN(C)c1ccc(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 12534700 BRIDXJNZJISYSM-KRWDZBQOSA-N 351.450 2.960 10 40 FFCB O=C1N=C(O)/C(=C\c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1 20210146 AYGMFCVZOCPMTC-UHFFFAOYSA-N 360.713 2.629 10 40 FFCB COc1cc2c(cc1OC)[C@H]1CN(C2)Cc2c1cc(OC)c(OC)c2O 3847206 GDBPLVSBOLIGLL-CQSZACIVSA-N 357.406 2.888 10 40 FFCB biogenic CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S 5371268 LBXGDBFWFLOOSA-QVASGMJFSA-N 367.448 2.798 10 40 FFCB CCCN1C(=O)/C(=C\c2cc(Br)cc(OC)c2O)NC1=S 9377946 FELSFVXAKPWPOB-UXBLZVDNSA-N 371.256 2.631 10 40 FFCB CN(Cc1ccc(N(C)C)cc1)C(=O)CCn1cnc2ccccc2c1=O 27154584 HSLBCOQUMLHOCJ-UHFFFAOYSA-N 364.449 2.511 10 40 FFCB COc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(C(C)C)C2=O)c1O 36613146 CVBONNKIPOZELW-WZUFQYTHSA-N 354.409 2.919 10 40 FFCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(C)C3=O)c2C)c(C)c1 15012656 PJOPNKYXIISLJP-YBEGLDIGSA-N 367.474 2.967 10 40 FFCB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1Cl 981058 YUWIAYDPDLGEEI-FKVCUQLRSA-N 352.843 2.774 10 40 FFCB O=C1CO[C@]2(CCCN(Cc3ccccc3O)C2)CN1c1cccc(F)c1 2037977808 KYUMBSWWPROGKX-NRFANRHFSA-N 370.424 2.929 10 40 FFCB Cc1cc(=O)oc2ccc(OCC(=O)N(C)Cc3ccccc3O)cc12 53916250 KPNDBMDZHMPUMH-UHFFFAOYSA-N 353.374 2.844 10 40 FFCB COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)OC34CCCCC4)CC2)cc1 27739097 JGYZSWTWEAORQY-GOSISDBHSA-N 372.465 2.610 10 40 FFCB Cn1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1 5373992 BQHKGTBVMPCCJQ-MFYHJKBNSA-N 372.471 2.922 10 40 FFCB COc1ccccc1O[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 113959237 HAYSESHITNCVQW-MRXNPFEDSA-N 370.449 2.616 10 40 FFCB [N-]=[N+]=NCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F 96503457 RCCGBDCYZQZRKR-UHFFFAOYSA-N 351.256 2.882 10 40 FFCB Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 5097842 ULWNCUXVGIZELN-IBGZPJMESA-N 355.482 2.859 10 40 FFCB Cc1cccc(N2C(=O)/C(=C/NN3CCCCCC3)C(O)=NC2=S)c1 6924255 KYJYFBNRYSBNEX-NTCAYCPXSA-N 358.467 2.848 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)c1 409024328 QPHQADRATZEXEG-CXUHLZMHSA-N 370.405 2.974 10 40 FFCB COC(=O)c1ccccc1/N=N/Nc1ccccc1-c1nc(N)nc(N)n1 16954076 MUAIGHZEHSIEBO-UHFFFAOYSA-N 364.369 2.600 10 40 FFCB CN1CCN(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)CC1 20478177 USVBIFGQPRNNAG-JLHYYAGUSA-N 353.900 2.794 10 40 FFCB CC(=O)N1N=C(c2ccccc2O)O[C@]1(C)CC(=O)Nc1ccccc1 13108140 GRXLCSNHHPZVSK-LJQANCHMSA-N 353.378 2.678 10 40 FFCB CCOc1ncccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 10907001 KHISAUZETOORSN-UHFFFAOYSA-N 355.438 2.589 10 40 FFCB C[C@H]1CCc2c(sc(NS(=O)(=O)c3ccccc3)c2C(N)=O)C1 13071634 OTYITGCIULEXBH-JTQLQIEISA-N 350.465 2.773 10 40 FFCB COC(=O)[C@H](Sc1ccc(Cl)cc1)[C@H]1SC(=S)N(C)C1=O 1567375 BCVTVHRACQUNHO-NXEZZACHSA-N 361.897 2.832 10 40 FFCB CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665373 HCPOFPXKTIDAMX-JOCHJYFZSA-N 366.509 2.752 10 40 FFCB NC(=O)c1sc2nc(N3CCOCC3)cc(-c3ccccc3)c2c1O 20713745 YTEDPPLHRYOHBF-UHFFFAOYSA-N 355.419 2.604 10 40 FFCB O=C1c2ccccc2C(=O)c2cc(NS(=O)(=O)C(F)(F)F)ccc21 4809169 QSVNDEFIBMLEQZ-UHFFFAOYSA-N 355.293 2.724 10 40 FFCB COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)C(=O)NC2=S)cc1 8564355 QLYLWPFNTDJXPM-PTNGSMBKSA-N 368.414 2.535 10 40 FFCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\[C@@H](C)c1ccccc1 96193366 QLTUQIBQIIZHBS-FDIDITGRSA-N 369.446 2.787 10 40 FFCB CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1 1163299 HCPAWGMZJCNIJJ-MHWRWJLKSA-N 369.421 2.723 10 40 FFCB O=C1OC2(CCCCC2)OC(=O)C1=CNc1cc([N+](=O)[O-])ccc1F 100799802 GZPLTYRDINPSDB-UHFFFAOYSA-N 350.302 2.790 10 40 FFCB COC(=O)Cc1c(C)c2ccc(O)c(CN3CCC[C@@H](C)C3)c2oc1=O 2212787 KOAGEOMHLJIDSC-GFCCVEGCSA-N 359.422 2.754 10 40 FFCB aggregator COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1OC 1197449 MPXSCJKVGHBMPY-SDNWHVSQSA-N 368.414 2.535 10 40 FFCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCC(OC)OC 103917495 MPVAHJLDVHVKOB-AQTBWJFISA-N 361.442 2.680 10 40 FFCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1[N+](=O)[O-] 56332432 SYLBKMJOFSHPRR-UHFFFAOYSA-N 374.372 2.892 10 40 FFCB CCN1/C(=C/C=C2\SC(=S)N(CC(=O)O)C2=O)Oc2ccccc21 17419127 QWFJNAHLMKUKHA-AJDRMPRJSA-N 362.432 2.576 10 40 FFCB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(N)cc2)cc1 801319 DAFBXGYVKNTEPD-UHFFFAOYSA-N 360.417 2.586 10 40 FFCB CN(C)c1ccc(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 12521728 VRXKUMJOKNKDHG-UHFFFAOYSA-N 364.449 2.628 10 40 FFCB Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccccc1 8687959 IAVYLTBOTILOCE-UHFFFAOYSA-N 350.374 2.822 10 40 FFCB CCNc1nc(NCC)n2c(SCCOc3ccccc3)nnc2n1 7777611 QSHQSOUFIJUTNT-UHFFFAOYSA-N 359.459 2.554 10 40 FFCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OC(=O)c1ccco1 19799227 GEGVVFXOWNIEEO-JYRVWZFOSA-N 361.400 2.996 10 40 FFCB COc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1CO 6674423 WILARGPIFQDDLE-LICLKQGHSA-N 366.373 2.692 10 40 FFCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OCC)cc1 408996440 DUKGPWSBVYWBIW-LGMDPLHJSA-N 359.422 2.794 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(O)cc3C)C2=O)cc1 15930214 OITPHZGZDGMBQI-GDNBJRDFSA-N 351.362 2.588 10 40 FFCB CCN1C(=O)C(=CN[C@@H](C)c2ccc(Cl)cc2)C(=O)N(CC)C1=S 23641877 UDCRYHVSBKGEIE-NSHDSACASA-N 365.886 2.870 10 40 FFCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1O 107877489 FGCBPKYRVLFMOI-ATVHPVEESA-N 364.401 2.981 10 40 FFCB CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C)c2C)cc1 4807420 FYMJFMMCZLTGFO-UHFFFAOYSA-N 371.466 2.991 10 40 FFCB COc1ccc(Sc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1 5028548 NZEPFLYLMKLJLL-UHFFFAOYSA-N 372.402 2.873 10 40 FFCB COc1ccc(N2CCCN(CC(C)(C)CN3CCOCC3)CC2)cc1 19084936 PXIDHHTUCIFHFD-UHFFFAOYSA-N 361.530 2.566 10 40 FFCB CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@H]1c1ccc(N(C)C)cc1 6026521 USNZUCQHDISSIQ-INIZCTEOSA-N 359.451 2.576 10 40 FFCB Cc1ccc(-n2c(C)cc(C(=O)O[C@@H](C)C(=O)N3CCOCC3)c2C)cc1 11422250 DLPUGLZEYLPDAQ-KRWDZBQOSA-N 370.449 2.807 10 40 FFCB CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@@H]1c1ccc(N(C)C)cc1 6026520 USNZUCQHDISSIQ-MRXNPFEDSA-N 359.451 2.576 10 40 FFCB O=S(=O)(Nc1ncccn1)c1ccc(/N=N\c2ccc(O)nc2)cc1 104124378 ZMHUMEVUWLVXSZ-VXPUYCOJSA-N 356.367 2.793 10 40 FFCB NC(=O)c1c(NS(=O)(=O)Cc2ccccc2)sc2c1CCCC2 27916452 ZUZGXFJRBOPQFR-UHFFFAOYSA-N 350.465 2.668 10 40 FFCB O=C(O)CN1C(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC1=S 409340587 ZRYIKHQUQLFMRR-FPYGCLRLSA-N 364.231 2.985 10 40 FFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 408990296 WUAFLOJSSUFWSS-WJDWOHSUSA-N 365.345 2.824 10 40 FFCB O=C(NC[C@@H]1CCCO1)[C@H]1Cc2ccccc2CN1Cc1ccccc1O 199406516 GLAVRJNQSPRFTD-VQTJNVASSA-N 366.461 2.614 10 40 FFCB COCCOC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 1792306 MYYZJBNJOPCPBP-GVIGZQTCSA-N 365.476 2.774 10 40 FFCB CC1=NN(C(=O)c2cccnc2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1 100643939 HRUNYCIRHVONQT-IWHJNQCMSA-N 352.310 2.501 10 40 FFCB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccccc1[N+](=O)[O-])CC3 20987622 CHLOJJZRYMIXOM-FMIVXFBMSA-N 363.329 2.947 10 40 FFCB CC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 4852149 IOLHCKXLDMGPJK-BOPFTXTBSA-N 363.373 2.776 10 40 FFCB Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1-c1ccccn1 9882869 FBNKDWAMDAMWED-UHFFFAOYSA-N 374.404 2.727 10 40 FFCB O=C(NN1C(=O)/C(=C\c2cccnc2)SC1=S)c1ccccc1F 5932306 MZSCESBJSMQING-MDWZMJQESA-N 359.407 2.767 10 40 FFCB Cc1cc([N+](=O)[O-])cc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1O 12659851 CTIPGICZGLESJX-DOTOQJQBSA-N 367.361 2.778 10 40 FFCB biogenic O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccco1 2277860 JQQHYTPJBXXCFA-TZWKYVIBSA-N 354.337 2.679 10 40 FFCB CCOC(=O)c1cccnc1NCc1ccc(N2CCC(O)CC2)c(F)c1 48314387 QFNXQOXSFPVMTA-UHFFFAOYSA-N 373.428 2.971 10 40 FFCB CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@@H]3c3ccccc3)nc12 103246398 UDDQLHGXLGVKEO-QGZVFWFLSA-N 366.421 2.949 10 40 FFCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccccn1 33438913 KQTAKMXXEICJHW-AQTBWJFISA-N 358.401 2.951 10 40 FFCB CCSc1ncnc2[nH]c(/N=N\c3ccc(S(N)(=O)=O)cc3)nc12 104094642 FVRBYEJMHBRWDN-VXPUYCOJSA-N 363.428 2.528 10 40 FFCB COc1cccc2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)nc12 6661033 IRBIBPRULXJNCE-LCYFTJDESA-N 374.443 2.919 10 40 FFCB O=C1N=C(N2CCOCC2)S/C1=C\c1cc(Br)cs1 8937902 LSLBJVHWUYAZAT-POHAHGRESA-N 359.270 2.813 10 40 FFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2O)C1=O 408885630 DDFMJYUXUFHHEJ-GDNBJRDFSA-N 366.373 2.630 10 40 FFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1F 33655864 ZJAHNVWIZOWELH-ATVHPVEESA-N 351.381 2.887 10 40 FFCB Cc1ccc(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1 224633846 DZTWZEAMOPPBAD-UHFFFAOYSA-N 351.494 2.914 10 40 FFCB Cc1ccc(I)c(O)c1CN1CCOCC1(C)C 95996998 PNFMCSCVEHCFIC-UHFFFAOYSA-N 361.223 2.916 10 40 FFCB O=C(Cn1ccnc1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 10809356 SUGVQUQPOSXCGZ-UHFFFAOYSA-N 365.776 2.951 10 40 FFCB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 79192506 PKZNSRKLSOZQBD-YJBOKZPZSA-N 368.341 2.660 10 40 FFCB biogenic Cc1cc(C)c2[nH]c(=O)c(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2c1 41074165 CIPSUOBKYJTUAJ-GZTJUZNOSA-N 359.385 2.606 10 40 FFCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)cc3)C2=O)cc1 408895300 DUUNQBOPBCRYKK-ATVHPVEESA-N 366.373 2.847 10 40 FFCB O=C1/C(=C\NN2CCCCC2)C(O)=NC(=S)N1c1ccc(Cl)cc1 17123810 PBWBUGCQMQVZOH-RAXLEYEMSA-N 364.858 2.802 10 40 FFCB O=C(NCCc1ccccn1)c1nc(-c2ccc(-n3cccc3)cc2)no1 4624546 QWTNLVYZNQSIBM-UHFFFAOYSA-N 359.389 2.895 10 40 FFCB C=CCN1C(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)SC1=S 33657818 JSJRBXSJYXFTMN-ZSOIEALJSA-N 357.460 2.514 10 40 FFCB CN(Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccc(F)cc2)oc1=O 12534392 NBPGMFLPQPIKJN-UHFFFAOYSA-N 356.401 2.798 10 40 FFCB O=[N+]([O-])c1ccc2nc(NNS(=O)(=O)c3ccccc3)sc2c1 59417532 CPRARMIXBYDMCW-UHFFFAOYSA-N 350.381 2.510 10 40 FFCB COc1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 6924765 LAMMFZIDWGGCJO-GDNBJRDFSA-N 371.780 2.927 10 40 FFCB CC(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 52807072 YZYIHSWAQKJKAQ-SFHVURJKSA-N 357.498 2.798 10 40 FFCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@@H]1c1cccnc1 84422129 KGMALIMJMMVRRD-QZTJIDSGSA-N 369.440 2.602 10 40 FFCB C[C@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C 3847021 QCXLEHMVJULREB-NAHJVGDPSA-N 362.422 2.749 10 40 FFCB biogenic Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)COC4)C(=O)NC2=S)cc1 6212447 MSGPWGHCUFAAIT-RQZCQDPDSA-N 364.426 2.857 10 40 FFCB COc1ccc2ccc(O)c(CN3CCN(c4ncccn4)CC3)c2c1 23382364 JLQIEBDCFBJOGF-UHFFFAOYSA-N 350.422 2.666 10 40 FFCB O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1 9319490 LFDCTFOZNHPJED-UHFFFAOYSA-N 356.765 2.668 10 40 FFCB COC(=O)c1sc(SCC(=O)O)c(NC(=O)c2ccccc2)c1O 41155025 UDZLBTBPXOUGJB-UHFFFAOYSA-N 367.404 2.669 10 40 FFCB Cc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 5097843 ULWNCUXVGIZELN-LJQANCHMSA-N 355.482 2.859 10 40 FFCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(C(C)C)cc1 13654209 FLTFPXORXKIDOO-FNTDYBJHSA-N 361.467 2.511 10 40 FFCB COC(=O)c1ccc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 16732168 OYLWTWFYWDWYPK-OZYJXZHSSA-N 363.460 2.853 10 40 FFCB Cn1cccc1/C=C1\SC(N2CCN(c3ccccc3)CC2)=NC1=O 27229578 XAEVTNSTQOQQKM-VKAVYKQESA-N 352.463 2.818 10 40 FFCB COc1ccc(N2CCN(CCCNc3ncccc3[N+](=O)[O-])CC2)cc1 23703208 NQUSAMLYNWTFAB-UHFFFAOYSA-N 371.441 2.623 10 40 FFCB O=C(c1ccccc1)c1cc(Cl)ccc1NCC(=O)N1CCNC1=O 15291717 YVELAOREZUKPTK-UHFFFAOYSA-N 357.797 2.535 10 40 FFCB CCn1c(=O)n(CCC(=O)NCc2ccc(N(C)C)cc2)c2ccccc21 12563003 HCICNAHSXPDWEF-UHFFFAOYSA-N 366.465 2.595 10 40 FFCB NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(F)c(F)c3)cc2)C1 54179063 GWMDPSCAYQLKDM-INIZCTEOSA-N 359.420 2.956 10 40 FFCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(O)c2)SC1=S 1809403 HSTLQDHZAOZHIM-JYRVWZFOSA-N 367.448 2.555 10 40 FFCB CCc1ccc(OC[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 85842846 PWWHDIPMDKPYFW-HXUWFJFHSA-N 370.493 2.820 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc2c(cc1O)OCO2 16878592 OBWCOTGFRAXZLC-UHFFFAOYSA-N 356.422 2.590 10 40 FFCB CCN(CC)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)cc1 12411728 OFQJZFMRPGLMGF-QGZVFWFLSA-N 370.457 2.760 10 40 FFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 409022754 SECKYTOGKGTRAZ-QGOAFFKASA-N 373.368 2.849 10 40 FFCB CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O 409394176 WUCDNJWEHVLPTP-HKJJFUAXSA-N 365.389 2.925 10 40 FFCB NC1=NC(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)S1 4387558 LRGGLIAQKOGIMV-DHDCSXOGSA-N 371.393 2.772 10 40 FFCB C=CCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108142146 NXLQJXKEDSXINV-VBKFSLOCSA-N 365.345 2.621 10 40 FFCB CC(=O)N1N=C(c2ccccc2O)O[C@@]1(C)CC(=O)Nc1ccccc1 13108139 GRXLCSNHHPZVSK-IBGZPJMESA-N 353.378 2.678 10 40 FFCB COc1ccc(N2CCN([C@H](C)C(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 13110232 TVJMMSPQHGUNHP-FGTMMUONSA-N 359.514 2.710 10 40 FFCB Cc1cccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)c1 408799792 LEZQYVMSMSOTPO-UHFFFAOYSA-N 370.792 2.977 10 40 FFCB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)SC1=S 9188413 RWLYHYQPRGEGFI-JYRVWZFOSA-N 367.448 2.770 10 40 FFCB CCOC(=O)COc1ccc(/C=C2/SC(=S)NC2=O)cc1OCC 113837479 KZPCQIYVYSJUBS-MDWZMJQESA-N 367.448 2.516 10 40 FFCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3cc(Cl)ccc3O)C2=O)c1 5548078 BDYIAMSMKIBORA-LCYFTJDESA-N 371.780 2.933 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1ccccc1Cc1ccccc1Cl 408877441 VWYGKKFSUKHWMF-UHFFFAOYSA-N 356.834 2.845 10 40 FFCB CN(C)c1ccc([C@@H](CNC(=O)NCc2ccc(F)cc2)N(C)C)cc1 22418361 BSVUFCSBTLGKQD-LJQANCHMSA-N 358.461 2.994 10 40 FFCB CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1ccc(C)c(Br)c1 100524840 KPCFIFMDHBMEAA-OGNJIVFWSA-N 354.233 2.672 10 40 FFCB CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(O)cc3)S2)C1 1885806 YPXFGONQVCSUHQ-OJNRTJSBSA-N 360.435 2.638 10 40 FFCB O=C(NC[C@@H](O)c1ccccc1)c1nc(-c2ccc(-n3cccc3)cc2)no1 4708308 ROUDOSRXAHVODB-GOSISDBHSA-N 374.400 2.991 10 40 FFCB CCOC(=O)c1cnn2c(O)cc(CN(C)Cc3ccccc3Cl)nc12 32932800 VRPIZKXOMOPQLI-UHFFFAOYSA-N 374.828 2.897 10 40 FFCB CSc1nc2n(n1)[C@H](c1c(O)ccc3ccccc13)C=C(C(=O)O)N2 102334293 IEPJVXOXSWWFSO-LBPRGKRZSA-N 354.391 2.842 10 40 FFCB NS(=O)(=O)c1ccc(/N=N\[C@H]2Sc3nc4ccccc4n3C2=O)cc1 100389667 GWESPXKLHYXRDQ-UNQMGURYSA-N 373.419 2.540 10 40 FFCB CCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)NC1=S 409390294 CHQODUOXIYNUCX-GXDHUFHOSA-N 359.838 2.777 10 40 FFCB CCC1=NN2C(=N)/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)N=C2S1 4837009 ISBRDVMDYIFGGP-AMYQRACDSA-N 374.422 2.742 10 40 FFCB CCN(CC)C(=O)CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 54360748 BCVPQVANFUGZLG-KAMYIIQDSA-N 364.492 2.852 10 40 FFCB COc1cccc([C@H](Nc2ncccn2)c2cc3c(cc2O)OCO3)c1O 3053332 CCSRPHARXGJWSH-KRWDZBQOSA-N 367.361 2.827 10 40 FFCB COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cccc(OC)c3)CC2)cc1 44948849 ZDVBBDKCCHVFHE-INIZCTEOSA-N 370.449 2.820 10 40 FFCB O=C1NC(=O)C(=Cc2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1 1062651 ZPCIQIIPPGABHK-UHFFFAOYSA-N 363.348 2.578 10 40 FFCB CN1CCCc2cc([C@@H](CNC(=O)C(C)(C)C)N3CCOCC3)ccc21 22734600 CRNHGTBXIZZTIE-LJQANCHMSA-N 359.514 2.605 10 40 FFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 59426672 DWLJOSRJQHHQIR-NTEUORMPSA-N 371.736 2.915 10 40 FFCB CCN1c2cc(C)c(C=C3C(=O)NC(=O)NC3=O)cc2[C@@H](C)CC1(C)C 113790355 SNWUHZASQKSLKF-LBPRGKRZSA-N 355.438 2.857 10 40 FFCB Cc1cccc(/C=C2/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c1 27530432 RVBBZYPHXKOEGM-SERMCNLOSA-N 365.432 2.514 10 40 FFCB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1C[C@H]1CCCO1 13547362 PIMKXQWRYARPOD-YFBAIUBQSA-N 350.421 2.975 10 40 FFCB COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)C(=O)NC2=S)cc1 4739012 HOJQDYPFKRXKOD-GDNBJRDFSA-N 356.378 2.666 10 40 FFCB COC(=O)CCCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 1197586 WDAWNYLYLDWAKQ-JLHYYAGUSA-N 351.449 2.850 10 40 FFCB CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 13765807 YLXZWQBMQUKVDJ-WJDWOHSUSA-N 353.353 2.558 10 40 FFCB CCc1ccc(N2C(=O)/C(=C/c3cccc(O)c3)C(=O)NC2=S)cc1 107925374 DIHGTJZNFZFRQV-LFIBNONCSA-N 352.415 2.786 10 40 FFCB CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 113969676 BQAAHWVEILZROV-FQEVSTJZSA-N 354.450 2.997 10 40 FFCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 13562925 NSKPXOIRKCFOFE-PTNGSMBKSA-N 366.373 2.750 10 40 FFCB CC(=O)n1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21 3120977 UPVIDIQYFZKUNL-GZTJUZNOSA-N 373.368 2.968 10 40 FFCB O=C1NC(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1 1187231 PPXYQVCFUQGITP-UHFFFAOYSA-N 356.765 2.668 10 40 FFCB CCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 4999628 WKHZPKLTHKHRQG-WJDWOHSUSA-N 372.450 2.836 10 40 FFCB COc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1F 225395923 IVODTBMWCOUWRQ-UHFFFAOYSA-N 357.429 2.516 10 40 FFCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(N)=O)cc1 13758027 DZRKLZVYCUHLEK-CEWLAPEOSA-N 359.514 2.686 10 40 FFCB COc1ccc(N2CCOCC2)cc1NC(=S)NC(=O)c1ccccc1 95080587 FAXXRNJSZBKREZ-UHFFFAOYSA-N 371.462 2.659 10 40 FFCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OC 409025524 WMGZILQBWBCYKX-GHXNOFRVSA-N 354.815 2.854 10 40 FFCB Cc1ccccc1N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 17076660 XOVFTGFAJJBMSV-UHFFFAOYSA-N 374.491 2.511 10 40 FFCB Cc1nc2ccc(C(=O)NCc3cc([N+](=O)[O-])ccc3O)cc2nc1C 32820528 VGIYQIBFHCOBAJ-UHFFFAOYSA-N 352.350 2.790 10 40 FFCB CCN1C(=O)/C(=C\c2cc(Br)ccc2O)C(C(=O)OC)=C1C 6950728 WTEYHHFGDQCSIA-WQLSENKSSA-N 366.211 2.847 10 40 FFCB CCCNC(=O)c1cc(N)ccc1N1CCN(c2ccc(OC)cc2)CC1 225489968 BTUVLDITHOFIQM-UHFFFAOYSA-N 368.481 2.744 10 40 FFCB CN(C)c1ccc(CN2CC[C@H](c3nc4cccc(C(N)=O)c4[nH]3)C2)cc1 49171118 XFPFFOCUWNLJEJ-HNNXBMFYSA-N 363.465 2.717 10 40 FFCB biogenic,in-vitro Cc1ccc(-n2cccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1C 408961514 CPHSKIMPUCDAFK-UHFFFAOYSA-N 353.447 2.693 10 40 FFCB Cc1cnc(-c2nc(C3CCN(Cc4ccccc4O)CC3)no2)cn1 12337352 QJWGZZZDYITJPS-UHFFFAOYSA-N 351.410 2.920 10 40 FFCB CN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc2c(c1)CCC(=O)N2 28495196 NNUUWCSSMZKCTB-UHFFFAOYSA-N 367.449 2.675 10 40 FFCB CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665376 HCPOFPXKTIDAMX-QFIPXVFZSA-N 366.509 2.752 10 40 FFCB COc1cc(/C=C2/SC(NC3CCCC3)=NC2=O)cc([N+](=O)[O-])c1O 208041710 IAXYWTUWKXULIW-MDWZMJQESA-N 363.395 2.812 10 40 FFCB CCN(CC)c1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(O)c1 4608560 ZEXKKWCZUWMMOZ-SFQUDFHCSA-N 351.406 2.700 10 40 FFCB O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1CN1CCOCC1 2049236296 LNAPOSKNJPCHNY-UHFFFAOYSA-N 354.884 2.831 10 40 FFCB COc1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 100296131 LLEHGSGGLAFTIH-ZHACJKMWSA-N 371.780 2.927 10 40 FFCB Cc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc2c1O[C@@H](C)C2 12062570 VFDKNKRFNAZAHT-AAIQCTMTSA-N 363.460 2.994 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc2ccccc2n1 24206990 ITHSFXFHXOYCME-UHFFFAOYSA-N 362.433 2.739 10 40 FFCB COc1ccc2ccc(OC)c(/C=C3/C(=O)N(C)C(=S)N=C3O)c2c1 2265634 STHDDUQUSXOZJM-NTEUORMPSA-N 356.403 2.954 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=S)N(C3CCCCC3)C2=O)cc1OC 6647023 OTBQPMOXEYNZDA-GXDHUFHOSA-N 374.462 2.663 10 40 FFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)c1 5186502 WJKCTYOEDICFKV-MHWRWJLKSA-N 365.345 2.878 10 40 FFCB Cc1nc(C(=O)NCc2ccc(N(C)C)cc2)nn1-c1ccc(F)cc1 12591792 OJDKOPWTHNPSQP-UHFFFAOYSA-N 353.401 2.711 10 40 FFCB CC(=O)c1cccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)c1 59139729 ZVFIKSSXFXGCAT-UHFFFAOYSA-N 368.414 2.748 10 40 FFCB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/NCc1ccc(F)cc1 6506063 JLUWCELTJZPRBB-FOWTUZBSSA-N 359.401 2.600 10 40 FFCB CN1c2ccccc2Sc2cc(C=C3C(=O)NC(=O)NC3=O)ccc21 409145185 NDAWHMXYTQMLDY-UHFFFAOYSA-N 351.387 2.669 10 40 FFCB Cc1c(Cl)cccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C 408990757 LRFGEROAYKOWEY-UHFFFAOYSA-N 373.865 2.970 10 40 FFCB COc1ccc(N2CCN(Cc3nc(O)c4sccc4n3)CC2)cc1 25515868 YILGNDNUSIMOOA-UHFFFAOYSA-N 356.451 2.728 10 40 FFCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CC1 4999636 FOABHTCSUTZRNX-YBEGLDIGSA-N 370.434 2.588 10 40 FFCB CN(C)c1ccc(CNC(=O)c2n[nH]nc2Nc2ccccc2F)cc1 67283829 RNQHRVJCKMOPGM-UHFFFAOYSA-N 354.389 2.683 10 40 FFCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1F 20459952 LPTDUXUITCXJOY-UHFFFAOYSA-N 364.442 2.913 10 40 FFCB O=C(C1CCN(Cc2cc3c(cc2O)OCO3)CC1)N1CCCCCC1 8185999 UCDMQSSDJLZUKX-UHFFFAOYSA-N 360.454 2.736 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(N(C)C)c1 10906991 UJRUEQOCDVFKSA-UHFFFAOYSA-N 353.466 2.861 10 40 FFCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1cccc([N+](=O)[O-])c1 409137690 YBYFMQNKXRKXTH-UVTDQMKNSA-N 353.359 2.995 10 40 FFCB CN1C(=O)/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC1=S 8091587 LGMHEQNDYZLXFE-YRNVUSSQSA-N 356.450 2.510 10 40 FFCB O=C1CO[C@@]2(CCCN(Cc3ccccc3O)C2)CN1c1cccc(F)c1 2037977809 KYUMBSWWPROGKX-OAQYLSRUSA-N 370.424 2.929 10 40 FFCB CN1CCCc2cc(/C=C/C(=O)OCC(=O)Nc3ccc(O)cc3)ccc21 64183899 DVRRZNXJVJLSGZ-VZUCSPMQSA-N 366.417 2.970 10 40 FFCB COC[C@H](C)NC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 39612253 JVQCVEVRJCEPIW-LBPRGKRZSA-N 362.401 2.541 10 40 FFCB CCN(CC)c1ccc(CN2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(OC)c1 19526493 JOODDRYUFZBHMY-MRXNPFEDSA-N 370.497 2.923 10 40 FFCB CN(C)c1ccc([C@H]2[C@H]3C(=O)NC(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 169303396 YVOKYPBRVIHUFV-IXDOHACOSA-N 371.824 2.540 10 40 FFCB CC(C)CC(=O)NN1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S 5236052 WPQHKCHWLVHBFS-UKTHLTGXSA-N 374.491 2.852 10 40 FFCB Cc1cc(C(=O)OCC(=O)NC[C@H]2CCCO2)c(C)n1-c1ccccc1 3460682 WMWWKAAQAMSZIN-QGZVFWFLSA-N 356.422 2.546 10 40 FFCB CN(C)c1ccc(/C=C2/SC(NCCCn3ccnc3)=NC2=O)cc1 3765366 CLBJGBJODHGXFL-FOWTUZBSSA-N 355.467 2.599 10 40 FFCB CCOC(=O)c1ccc(N2C(=O)C/C(=C\c3ccc(O)c(O)c3)C2=O)cc1 9476783 GSDMYCORSKTFFR-NTEUORMPSA-N 367.357 2.621 10 40 FFCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 1809305 VWAMGURRABTYTD-WQLSENKSSA-N 366.420 2.749 10 40 FFCB COc1cc(NS(=O)(=O)c2cccc3nsnc23)cc(OC)c1 2926021 KVFARGWFFZTEJG-UHFFFAOYSA-N 351.409 2.509 10 40 FFCB CCOC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(N)c1 225442780 GJQAGNATTKBXFN-UHFFFAOYSA-N 355.438 2.781 10 40 FFCB O=C(O)/C=C\C(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1O 80316227 NGPXTDHGFCPHIB-YDZSZYSISA-N 354.337 2.850 10 40 FFCB COC(=O)CCN1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S 80343729 YKJNOHAMTAFVEJ-NTEUORMPSA-N 361.444 2.770 10 40 FFCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccccc1 409391568 IRJASSPLCAKABY-GHRIWEEISA-N 358.357 2.539 10 40 FFCB COc1ccc(Br)cc1/C=C1/SC(NC(C)=O)=NC1=O 32109977 PSPIUECMSHTIAV-IZZDOVSWSA-N 355.213 2.564 10 40 FFCB COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c(OC)c1 5097804 KMBKCGBAXNSFAX-LJQANCHMSA-N 371.481 2.803 10 40 FFCB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1C 12609790 AEQGQWNFVBZGBN-UHFFFAOYSA-N 374.506 2.961 10 40 FFCB CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 10906870 CKJONMRRJNKZGJ-UHFFFAOYSA-N 367.449 2.754 10 40 FFCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)c(O)c2)n2ncnc2N1 1467345 BZGYMQLKUQWEIJ-KRWDZBQOSA-N 363.377 2.617 10 40 FFCB CCO/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 3180611 YPXFSJYGEAAEKN-GXDHUFHOSA-N 353.465 2.985 10 40 FFCB COc1cccc2c(C=C3C(=O)NC(=O)NC3=O)c(-c3ccccc3)[nH]c12 408849291 ZIVDJXAXVDEJOX-UHFFFAOYSA-N 361.357 2.593 10 40 FFCB Cc1cc(C)cc(COc2ccccc2C=C2C(=O)NC(=O)NC2=O)c1 408881003 LPZFSTTVKHNBHK-UHFFFAOYSA-N 350.374 2.632 10 40 FFCB CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408870328 WFLAISADJDQQQR-QBFSEMIESA-N 354.337 2.891 10 40 FFCB O=C(O)CCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5483009 NBOLYQFRAGJTQE-FNORWQNLSA-N 362.226 2.718 10 40 FFCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 409210104 IEGIKLWRUPRZQO-RIYZIHGNSA-N 371.736 2.915 10 40 FFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)c1C 408776145 MNLLJNUEQRPGIZ-MHWRWJLKSA-N 351.406 2.925 10 40 FFCB CCc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 759614 YSEZCPMXOQNXAR-SFQUDFHCSA-N 350.374 2.924 10 40 FFCB CCS(=O)(=O)N(C)C(=O)c1cc(C)n(-c2cccc(OC)c2)c1C 58393057 ZZXICHJLKLEIFR-UHFFFAOYSA-N 350.440 2.524 10 40 FFCB Cc1ccsc1/C=C1\SC(=S)N(NC(=O)c2ccncc2)C1=O 16790748 FOCOSELBUPMXLP-WQLSENKSSA-N 361.473 2.998 10 40 FFCB CC(=O)c1ccc(N2CCN(Cc3cc4c(cc3O)OCO4)CC2)c(F)c1 9322224 CABURSGSCNMSTQ-UHFFFAOYSA-N 372.396 2.785 10 40 FFCB COc1ccc(N2CCN(CCCNC(=O)/C=C/c3ccco3)CC2)cc1 32765965 VJDXDOMMTKIYPG-MDZDMXLPSA-N 369.465 2.630 10 40 FFCB CCc1cccc(C)c1N/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 105313162 HCNBYBUJCKGRJC-GDNBJRDFSA-N 353.378 2.725 10 40 FFCB COc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(O)c(O)c3)C2=O)c1 1197247 JUQSISBKTZQMOL-NTUHNPAUSA-N 354.318 2.613 10 40 FFCB O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C/NCc1ccco1 103114979 WPYGGDHPBHSOCY-NTCAYCPXSA-N 359.451 2.798 10 40 FFCB O=C1/C(=C/c2ccc([N+](=O)[O-])o2)C(O)=NC(=S)N1c1ccccc1F 59135988 OVFZVOXVTGIELW-VQHVLOKHSA-N 361.310 2.999 10 40 FFCB CC(C)Nc1cc(N2CCOCC2)c(N)c2c1C(=O)c1ccccc1C2=O 5452331 CNTBQGKRRXCCNJ-UHFFFAOYSA-N 365.433 2.701 10 40 FFCB CCOC(=O)c1cnc2c(/N=N/c3ccc(OCC)cc3)c(N)nn2c1N 97944947 HSGIFJVRCQJVQV-QURGRASLSA-N 369.385 2.885 10 40 FFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 408872345 DJVSZNGTQPZURZ-LFIBNONCSA-N 350.374 2.978 10 40 FFCB OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)CN1Cc1cccc(C(F)(F)F)c1O 585292913 PQGXRZYTDJIOBG-QGPMSJSTSA-N 367.367 2.732 10 40 FFCB CCCS(=O)(=O)NC1CCN(Cc2c(O)ccc3ccccc23)CC1 54514199 ZASHMRJIJUUEQG-UHFFFAOYSA-N 362.495 2.839 10 40 FFCB COc1ccc(N2CCN([C@H](C)C(=O)NC3CCC(C)CC3)CC2)cc1 42290162 FRXKGCHCROEVSN-LXPRWKDFSA-N 359.514 2.901 10 40 FFCB COc1ccc(O)c(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c1 19551719 RTYADLMVDJSOCA-APWZRJJASA-N 362.376 2.789 10 40 FFCB N=C1/C(=C\c2ccc(F)cc2)C(=O)N=C2SC(c3ccncc3)=NN12 5397137 SQUZLGYMAZHUNB-KOKPZHPOSA-N 351.366 2.888 10 40 FFCB COc1ccc(N2CCC[C@]3(CN(Cc4cccnc4)CCO3)C2)cc1 96226312 LLADJPYYOTYSNG-NRFANRHFSA-N 353.466 2.962 10 40 FFCB C[C@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)S(C)(=O)=O 58203396 RSMAIZRFAXIZTC-CQSZACIVSA-N 352.500 2.505 10 40 FFCB COc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(OC)c3)nn2)cc1 216767595 AFGUDYIQBXIGIG-HXUWFJFHSA-N 366.421 2.879 10 40 FFCB CCOc1ccc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1O 3072505 SBZYFSFFLPXTII-MHWRWJLKSA-N 352.390 2.869 10 40 FFCB O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(O)c(O)c2o1 19370419 ZQONSSLYCOVARI-UHFFFAOYSA-N 366.417 2.522 10 40 FFCB biogenic CC1=NN(C(=O)c2ccccc2O)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1 100643943 YRXXQRFUEXMUAQ-AMGRQBIBSA-N 367.321 2.811 10 40 FFCB COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(C)c3)CC2)cc1 3555551 NOZGGUHOZKHIKJ-UHFFFAOYSA-N 368.433 2.509 10 40 FFCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(C(C)C)cc1 13654211 FLTFPXORXKIDOO-IUPCOXQMSA-N 361.467 2.511 10 40 FFCB Cc1cccc(OCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 58066049 VXUDPISWKSTNBQ-UHFFFAOYSA-N 368.477 2.899 10 40 FFCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 13282867 VOLRJXCHAHMYSW-UVTDQMKNSA-N 355.444 2.936 10 40 FFCB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 408535113 XPLASLKGQYBAER-LFIBNONCSA-N 365.389 2.891 10 40 FFCB Oc1cc2c(cc1[C@H](Nc1ncccn1)c1ccc3c(c1)OCO3)OCO2 1586969 HHZXPZVNDPQYIP-GOSISDBHSA-N 365.345 2.841 10 40 FFCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccccc1O 12618279 SJCNVLYJUNJKJJ-YBEGLDIGSA-N 350.374 2.660 10 40 FFCB COc1ccc(CN2CCc3c(O)nc(-c4cccnc4)nc3C2)c(O)c1 19551838 BKCQPNIXEDHTKP-UHFFFAOYSA-N 364.405 2.517 10 40 FFCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NC[C@@H](O)c1ccccc1 100149076 WKSGVWWQEIKBOW-ZKTNYTPDSA-N 366.377 2.524 10 40 FFCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)c1 15013033 DBBKYKMXMJFPCC-BOPFTXTBSA-N 350.374 2.978 10 40 FFCB O=C1C=CC(=O)N1c1ccc(/N=N/c2ccc(N3C(=O)C=CC3=O)cc2)cc1 38622096 IEMFDYPKHKLPGO-QURGRASLSA-N 372.340 2.961 10 40 FFCB in-vitro C=CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 107766799 OFKPXVJSRQCJTB-PTNGSMBKSA-N 365.345 2.621 10 40 FFCB COc1ccc(N2CCN(CC(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 57363720 SGVNGACLNUURCE-INIZCTEOSA-N 371.456 2.834 10 40 FFCB O=S(=O)(Nc1ccc2c(c1)OCCCO2)c1cccc2nsnc12 19108580 YHEPNEYQSGQOHL-UHFFFAOYSA-N 363.420 2.653 10 40 FFCB COCCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S 4615553 NFOBRFFUGVGHQL-NTEUORMPSA-N 353.465 2.942 10 40 FFCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3ccncc3)ccc21 10274255 WICBWCBTRKSFIX-UHFFFAOYSA-N 364.382 2.658 10 40 FFCB COc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3C)C2=O)cc1 16662458 FYKILZBPKZOSSY-RVDMUPIBSA-N 351.362 2.582 10 40 FFCB O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N1 1178703 LJLDIAONFYNYCI-UHFFFAOYSA-N 374.755 2.808 10 40 FFCB COc1ccc2[nH]c3c(=O)n(CCc4ccc(O)c(O)c4)cnc3c2c1 2107864 YXWFOCQXZIOOHX-UHFFFAOYSA-N 351.362 2.540 10 40 FFCB biogenic COc1cccc(-n2c(C)cc(C(=O)N3CCCC[C@H]3CC(N)=O)c2C)c1 65491357 ODLHQARCBTYSGG-INIZCTEOSA-N 369.465 2.973 10 40 FFCB CC1=NN(C(=O)c2ccccc2)C(=O)[C@@H]1/N=N/c1ccccc1C(=O)O 73242064 OINAKONFDMULMT-FZFLATATSA-N 350.334 2.896 10 40 FFCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccn1 9444395 KOTRLVLSXZVGSM-ZRDIBKRKSA-N 359.432 2.905 10 40 FFCB Cc1cc(C(=O)OCC(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccccc1 3460686 WMWWKAAQAMSZIN-KRWDZBQOSA-N 356.422 2.546 10 40 FFCB O=C(CN1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1)NC1CC1 22787330 GSPIDVDEBOHSRD-UHFFFAOYSA-N 373.884 2.595 10 40 FFCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 1809413 ZHYCTIMKQKKFTM-WQLSENKSSA-N 365.432 2.539 10 40 FFCB O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(O)cc1 13603127 YWMVPFBAULHSJP-ZSOIEALJSA-N 359.179 2.616 10 40 FFCB Cc1nc(NCc2ccc(N3CCNC(=O)C3)cc2)nc(C)c1CC(C)C 80225700 OMTDCTARPBNSLK-UHFFFAOYSA-N 367.497 2.840 10 40 FFCB Cc1cc(C(=O)N[C@H](C)CO)c(C)n1-c1ccc(Br)cc1 97204486 LNBOCGZUVHEAFL-SNVBAGLBSA-N 351.244 2.967 10 40 FFCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)c1 408966936 OABDOCYDUCDMNY-MHWRWJLKSA-N 369.446 2.616 10 40 FFCB Cc1cc(C)cc(Cc2ccccc2C=C2C(=O)NC(=S)NC2=O)c1 408873965 XUAQXNFGSWOLCQ-UHFFFAOYSA-N 350.443 2.809 10 40 FFCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccccc1Cl 408593103 PCPVOFBMWBJCKX-RIYZIHGNSA-N 373.796 2.725 10 40 FFCB CCCCn1nnnc1COC(=O)c1sc2nc(C)cc(C)c2c1N 22989292 QKEWWCUSKWJLFF-UHFFFAOYSA-N 360.443 2.639 10 40 FFCB CCN1c2cc(C)c(C=C3C(=O)NC(=O)NC3=O)cc2[C@H](C)CC1(C)C 113790352 SNWUHZASQKSLKF-GFCCVEGCSA-N 355.438 2.857 10 40 FFCB Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccccc1 7987707 LKYRPELLTSUIQI-UHFFFAOYSA-N 361.449 2.847 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3coc4ccccc4c3=O)C2=O)cc1 41077941 XNVIJVSFTRNELP-MHWRWJLKSA-N 374.352 2.768 10 40 FFCB CCCCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O 5513285 WGPOPPKSQRZUTP-LBPRGKRZSA-N 372.373 2.898 10 40 FFCB biogenic,in-vitro CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NC1CC1 6973099 ZALAGOPTFATKNF-UHFFFAOYSA-N 359.451 2.712 10 40 FFCB COc1ccc(N2C(=O)/C(=C/c3ccccc3OC)C(=O)NC2=S)cc1 1060284 QLYLWPFNTDJXPM-RVDMUPIBSA-N 368.414 2.535 10 40 FFCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCCOC 103918541 ZOIWYRHPJRBDBK-LGMDPLHJSA-N 360.414 2.998 10 40 FFCB CCN1C(=O)C(=CNc2cc(Cl)ccc2C)C(=O)N(CC)C1=S 5557281 OQDKFVMEOJPHDJ-UHFFFAOYSA-N 351.859 2.940 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OC(=O)O)c3)C2=O)cc1 4704233 SDHIXCDUIMYOPA-GDNBJRDFSA-N 366.329 2.718 10 40 FFCB CC1=CSC2=NC(=O)/C(=C\c3coc4ccc(O)cc4c3=O)C(=N)N12 5701424 IXTJAVLBCZPHSA-IAVVTGGWSA-N 353.359 2.666 10 40 FFCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O[C@@H](C)C(N)=O)c1C 4500160 BDKHPKPMZSYBEQ-NSHDSACASA-N 350.802 2.787 10 40 FFCB O[C@@]1(c2ccccc2)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 19369761 JNPUGNYWFWNLIW-NRFANRHFSA-N 356.441 2.756 10 40 FFCB C=CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1OC 108027219 JCHPJPLKXCBYCX-SSZFMOIBSA-N 350.374 2.721 10 40 FFCB CN(C)c1ccc(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 12534699 BRIDXJNZJISYSM-QGZVFWFLSA-N 351.450 2.960 10 40 FFCB CCc1nc(CCNC(=O)N2CCOc3cc(N(C)C)ccc32)cs1 97141453 YJHFJJKTTVOGBA-UHFFFAOYSA-N 360.483 2.923 10 40 FFCB COc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)cc2c1OCO2 48748737 CPOHMKSDPOOABF-UHFFFAOYSA-N 374.412 2.689 10 40 FFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S 6080697 FLFCFEDTFZSJEA-ZWSXMNCCSA-N 367.448 2.768 10 40 FFCB C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CCCO3)cc2F)C[C@@H](C)O1 106528762 ZENIBQWJSJDQCH-IIAWOOMASA-N 350.434 2.625 10 40 FFCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OC)cc1 59435624 ISJZDGCNKPTWCD-FDIDWWNZSA-N 357.406 2.547 10 40 FFCB CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc([N+](=O)[O-])o3)C(=N)N21 32957614 GUBOJMJIBYDYNR-YKLPQZDPSA-N 365.396 2.906 10 40 FFCB COc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccncc2)C1=O 409394247 XQYZRAJISNTFKZ-ATVHPVEESA-N 373.368 2.910 10 40 FFCB CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 96011295 HLPYCTRROWIIEZ-UHFFFAOYSA-N 364.379 2.940 10 40 FFCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CCCN1CCOCC1 33692478 RQBDEYGOMWLEJZ-NTCAYCPXSA-N 366.483 2.749 10 40 FFCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/NCCC1=CCCCC1 2892929 HOMBYHPWJGJCTF-WYMLVPIESA-N 357.385 2.773 10 40 FFCB CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OC(C)=O 58866182 VWVIHLIXYCGIKK-UHFFFAOYSA-N 360.362 2.764 10 40 FFCB Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nc(CC(N)=O)cs1 58393407 MABQGUWCNPKTRC-UHFFFAOYSA-N 360.464 2.892 10 40 FFCB CCOC(=O)CN1C(=O)/C(=C/c2ccc(OCC)cc2)SC1=S 1277086 MGRUDYFJVZFWQI-LCYFTJDESA-N 351.449 2.850 10 40 FFCB Cc1ccc(C)c(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)c1 408991939 PGSIUGUPWHHQPO-UHFFFAOYSA-N 353.447 2.625 10 40 FFCB O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 4616533 XAWWYTYFOCONCK-UHFFFAOYSA-N 351.319 2.956 10 40 FFCB in-vitro Cc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 7146500 VKCZHOJWXXTFPM-UHFFFAOYSA-N 363.439 2.790 10 40 FFCB COc1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OC 820707 WPVUPOQCFQGYOA-RIYZIHGNSA-N 358.781 2.819 10 40 FFCB COc1ccc(N2CCN(C(=S)c3ccc4c(c3)OCO4)CC2)cc1 13546997 WSAVLJSWGCHUKD-UHFFFAOYSA-N 356.447 2.922 10 40 FFCB COc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)ccc1O 8994658 IJYFYKVAPMOBTG-ZROIWOOFSA-N 352.346 2.903 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3O)C2=O)c(C)c1 408530481 LZNJEIPOPXXOIX-JLHYYAGUSA-N 351.362 2.588 10 40 FFCB C[C@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@@H]1C(C)(C)CCC[C@]21C 14774131 QCXLEHMVJULREB-YVDSMGGKSA-N 362.422 2.749 10 40 FFCB biogenic CC1(C)OC(=O)C(=CNc2nc(-c3ccc4c(c3)OCO4)cs2)C(=O)O1 23127152 IXWMCCCBPRXDGW-UHFFFAOYSA-N 374.374 2.671 10 40 FFCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)NC2=S)cc1 409375042 DQCXNTRCKKMGNC-RVDMUPIBSA-N 369.446 2.739 10 40 FFCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(O)ccc2ccccc12 408887699 SNJRUIRDBGLLRT-GZTJUZNOSA-N 374.352 2.917 10 40 FFCB Cc1c(C)c2ccc(O)c(CN[C@H](Cc3ccccc3)C(=O)O)c2oc1=O 2115249 LNQHLDWJEICHGF-QGZVFWFLSA-N 367.401 2.901 10 40 FFCB biogenic COc1ccc(N2CCN(CC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 57674852 AXTRPRQIRZAGMJ-UHFFFAOYSA-N 367.449 2.659 10 40 FFCB C[C@H](NC(=O)c1cc(Cl)cn1C)c1ccc(N2CCN(C)CC2)cc1 48355236 MRJGYPWSWJXGDR-AWEZNQCLSA-N 360.889 2.921 10 40 FFCB Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccccn1 4711871 VMWQAUOQWNCGDE-MDWZMJQESA-N 373.459 2.775 10 40 FFCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 408813176 PUZVLFUBDOZJMV-MLPAPPSSSA-N 359.769 2.626 10 40 FFCB CCOc1ccccc1/C=C1\C(=O)N(C[C@H]2CCCO2)C(C)=C1C(=O)OC 408896736 ZOKGOBGOARGFSR-WISAJEAXSA-N 371.433 2.937 10 40 FFCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cccnc1SC(F)F 35286717 XOHXVIIGHWBFOK-UHFFFAOYSA-N 355.322 2.940 10 40 FFCB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(C(=O)OC)=C1C 6950724 BFFXTXSIXZATEE-WQLSENKSSA-N 350.758 2.941 10 40 FFCB COc1ccccc1/C=C1\SC(=S)N(CC(=O)OC(C)C)C1=O 1276847 QLRLFBUFYAREEH-JYRVWZFOSA-N 351.449 2.848 10 40 FFCB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(C)cc3)C2=O)cc1 4718877 QWVNIEQEYHSWCA-ATVHPVEESA-N 350.374 2.633 10 40 FFCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(C)o3)C(=O)NC2=S)c1 408742389 QVVGIKPYVSHFCB-XNTDXEJSSA-N 356.403 2.818 10 40 FFCB CN1C(=O)/C(=C2/CC(=O)N(c3ccc(F)cc3F)C2=O)c2ccccc21 9576008 WDFNOSFPNIXFMY-ATVHPVEESA-N 354.312 2.658 10 40 FFCB CCO/C=C1\SC(=S)N([C@H](Cc2ccccc2)C(=O)OCC)C1=O 256027795 CCZPABSQZKKVMA-KECPUOCWSA-N 365.476 2.899 10 40 FFCB COc1cc(OC)c(C=C2C(=O)OC3(CCCCC3)OC2=O)c(OC)c1 634635 QEIVSJTXTHJJJP-UHFFFAOYSA-N 362.378 2.856 10 40 FFCB C[C@@H](NC(=O)c1cccs1)C(=O)NCc1ccc2c(c1)CCCN2C 57550207 BQBXGSURQXJRRP-CYBMUJFWSA-N 357.479 2.565 10 40 FFCB O=C(NC[C@H]1CCCO1)[C@@H]1Cc2ccccc2CN1Cc1ccccc1O 257173200 GLAVRJNQSPRFTD-UXHICEINSA-N 366.461 2.614 10 40 FFCB CCOC(=O)c1c(C)n[nH]c1/N=N/[C@H]1C(=O)N(c2ccccc2)N=C1C 103668028 XRKZDEOLFAYVRH-HFGXJBEUSA-N 354.370 2.770 10 40 FFCB COc1ccc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1[N+](=O)[O-] 59475162 UIPNJRJJCKFUPZ-OQLLNIDSSA-N 367.361 2.682 10 40 FFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1cccc([N+](=O)[O-])c1 208686465 MVEKKQYVJWITSM-AQTBWJFISA-N 374.356 2.847 10 40 FFCB CCOc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc(Cl)c1O 96891459 ODGAOQZLYKCUCQ-UKTHLTGXSA-N 368.842 2.747 10 40 FFCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(F)cc3)cc2)C1 55339711 LEIOXUNFQPMXKV-OAHLLOKOSA-N 370.428 2.849 10 40 FFCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408817116 VFWDWHPKGCKSSK-NSIKDUERSA-N 359.769 2.626 10 40 FFCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cccnc1 33732426 GSVMWQPFVFLAAG-UNOMPAQXSA-N 358.401 2.951 10 40 FFCB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccccc1N(C)C 97963967 NLQLEIMLLLXQDK-BFQBXFRASA-N 364.409 2.701 10 40 FFCB COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 47324173 AAQXKTWHCLUUIQ-UHFFFAOYSA-N 359.401 2.993 10 40 FFCB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 1276535 MTJAXHDJDQSHIJ-GHXNOFRVSA-N 366.420 2.748 10 40 FFCB CCOC(=O)CN1C(=O)/C(=C/c2ccccc2OCC)SC1=S 1277104 AOCPSJJQYVWGCK-LCYFTJDESA-N 351.449 2.850 10 40 FFCB N=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC=NN12 41076635 XULKAUHZMSYVIS-HXGUNRDLSA-N 366.362 2.634 10 40 FFCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S 5371266 LBXGDBFWFLOOSA-BNDQCTAISA-N 367.448 2.798 10 40 FFCB CCN(CC)c1ccc(/C=c2/sc3nc(-c4ccco4)nn3c2=O)cc1 2703186 NGQRMDHCLHTKLI-FOWTUZBSSA-N 366.446 2.805 10 40 FFCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 5137372 DZRKLZVYCUHLEK-TYPHKJRUSA-N 359.514 2.686 10 40 FFCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)NC2=S)c1C 409146199 KBOJEMMSGGVEAZ-GXDHUFHOSA-N 369.446 2.794 10 40 FFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OC 408806292 AYYWPRICFIQDTI-RVDMUPIBSA-N 366.373 2.760 10 40 FFCB COC(=O)/C=C1/SC(NC(=O)c2ccc(-c3ccccc3)cc2)=NC1=O 2281643 NHUUVADCJDTZSS-RVDMUPIBSA-N 366.398 2.770 10 40 FFCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCO 100314571 DEUHTTNYBAOUPH-SFQUDFHCSA-N 352.390 2.872 10 40 FFCB CC(=O)N1CCN(C(=S)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 1301106 BTGXQJYNEQHLJW-UHFFFAOYSA-N 359.407 2.694 10 40 FFCB C1=C2CCCN(c3ncnc4[nH]cnc34)[C@H]2[C@H]2C[C@H]1[C@H]1CCCCN1C2 1775973916 PRHJTLZWBNBZHS-LISAXSMJSA-N 350.470 2.752 10 40 FFCB CN(C)c1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 12543490 BNNJUXMSLMYPRE-UHFFFAOYSA-N 374.510 2.934 10 40 FFCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N/c1ccc(C)c([N+](=O)[O-])c1 104204133 JQGZXEGDSVWTQD-CVTQAYBASA-N 366.337 2.809 10 40 FFCB Cc1cc(C)cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 48369180 UVPYYKQCSBEKPL-SFHVURJKSA-N 365.477 2.935 10 40 FFCB CC(C)N1c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2[C@@H](C)CC1(C)C 223549990 WEUTVKYVCGRABD-LBPRGKRZSA-N 355.438 2.937 10 40 FFCB Cc1cccc(-c2nnc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n23)c1 1625238 SAYBWVRSIYUUSO-ATVHPVEESA-N 362.458 2.740 10 40 FFCB COc1ccc(N2CCN(C(=O)NCC(C)(C)N3CCCCC3)CC2)cc1 32863550 LBBYLCNUKJMZDC-UHFFFAOYSA-N 374.529 2.791 10 40 FFCB CC1=NN(C(=O)c2cccnc2)C(=O)[C@H]1/N=N\c1ccc([N+](=O)[O-])cc1 68602429 HRUNYCIRHVONQT-JGWKNBOWSA-N 352.310 2.501 10 40 FFCB NS(=O)(=O)c1ccc(/N=N/[C@H]2Sc3nc4ccccc4n3C2=O)cc1 42924049 GWESPXKLHYXRDQ-HVCBDAARSA-N 373.419 2.540 10 40 FFCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\N1CCCCC1 108065813 MSGASAFTCWWKKN-LUAWRHEFSA-N 367.833 2.597 10 40 FFCB CC1=NN(C(=O)c2cccnc2)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1 100643940 HRUNYCIRHVONQT-HLAUDOPJSA-N 352.310 2.501 10 40 FFCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCCOC(C)C 9356316 ITWASCOYZIEOLP-LGMDPLHJSA-N 360.414 2.996 10 40 FFCB CCOc1ccc(OCC)c(NS(=O)(=O)c2cccc3nonc23)c1 5598714 TYYYILXDLRLLQB-UHFFFAOYSA-N 363.395 2.821 10 40 FFCB CC(C)CC(=O)NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S 5236044 PVHVVLNAFOZMFC-XYOKQWHBSA-N 360.464 2.841 10 40 FFCB COc1ccc2c(c1)c1ncn(CCc3ccc(O)c(O)c3)c(=O)c1n2C 2134257 JECNVRJCCSMBCB-UHFFFAOYSA-N 365.389 2.551 10 40 FFCB biogenic COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 408811416 VLWDABBNJVXWKF-MDWZMJQESA-N 372.764 2.721 10 40 FFCB COc1cccc(-n2nnc(C(=O)N(C)Cc3ccccc3O)c2C)c1 58415294 VOXCOOAXEHAFDW-UHFFFAOYSA-N 352.394 2.562 10 40 FFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OC)C1=O 409239763 QGDFOBZDVXCIKV-WYMLVPIESA-N 366.373 2.760 10 40 FFCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 5137400 DZRKLZVYCUHLEK-NRSPTQNISA-N 359.514 2.686 10 40 FFCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1[N+](=O)[O-] 5697895 SWZJFSMVVOMYIU-ZROIWOOFSA-N 369.308 2.709 10 40 FFCB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 41371651 MXOAOTXKIBUSAC-UHFFFAOYSA-N 373.478 2.789 10 40 FFCB COc1ccc(N2C(=O)/C(=C/c3ccc(C)s3)C(=O)NC2=S)cc1 2820604 UWNQYMDXSHYJFE-NTEUORMPSA-N 358.444 2.896 10 40 FFCB CSc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 55107053 LQHVLYTYINLGSG-UHFFFAOYSA-N 352.437 2.738 10 40 FFCB CCOC(=O)c1c(N)oc2c3c(c(O)cc12)C(=O)c1ccccc1C3=O 4039298 DKLWZIJITJLNCL-UHFFFAOYSA-N 351.314 2.673 10 40 FFCB biogenic Cc1ccc(-c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 4140909 KSXYNLBSIJQSJP-ATVHPVEESA-N 362.458 2.740 10 40 FFCB O=C(NC1(N2CCCC2)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 226297464 PJPAECWPLXHUAD-UHFFFAOYSA-N 368.820 2.941 10 40 FFCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1 4677018 OXNFKSIUWYIWHU-LDADJPATSA-N 372.384 2.847 10 40 FFCB CC[C@H](C)N1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C 409013589 BPXHAKYTYZFUDU-IEMQHYRPSA-N 357.406 2.944 10 40 FFCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(O)cc1 2075894 PLNVWBQYUNSCIL-YVLHZVERSA-N 350.374 2.660 10 40 FFCB O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)c2ccc(O)c(O)c2o1 54147570 HPUMYCJKUANHOF-UHFFFAOYSA-N 370.380 2.666 10 40 FFCB biogenic Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCOCC3)c(O)c12 13690790 KDEBJXCTBUBWMM-UHFFFAOYSA-N 355.419 2.845 10 40 FFCB CCOc1ccc(N2C(=O)/C(=C/NN3CCCCC3)C(O)=NC2=S)cc1 34236559 GRGQECAAHVCVFD-NTCAYCPXSA-N 374.466 2.548 10 40 FFCB CCCOC(=O)CN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S 1809410 OIKSGFHPOUOYMU-WQLSENKSSA-N 365.432 2.539 10 40 FFCB CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccn1 16755408 LIRWCHGCBFGCTQ-UHFFFAOYSA-N 356.407 2.746 10 40 FFCB C[C@@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1ccc(N(C)C)cc1)C2=O 12533779 BJCRSFJXVPFYMI-QRWLVFNGSA-N 358.486 2.643 10 40 FFCB O=C1NC(=S)S/C1=C/c1cc2ccccc2nc1N1CCOCC1 2298346 XULGIYFTOYELOE-GXDHUFHOSA-N 357.460 2.560 10 40 FFCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnc2ccccc2n1 55523606 RZAGPUIHQMLHKH-UHFFFAOYSA-N 366.396 2.536 10 40 FFCB CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 222870358 UIQSHAUUDLFTNE-NRFANRHFSA-N 367.493 2.912 10 40 FFCB CC(C)(C)OC(=O)NCCNC(=O)c1cc(Oc2ccc(N)cc2)ccn1 1857793416 CIKDUXCDZWZVDY-UHFFFAOYSA-N 372.425 2.711 10 40 FFCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\NC1CCCC1 108294918 UJQNCQPGLYVYFA-FLIBITNWSA-N 367.833 2.643 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCC4)o3)C2=O)cc1 4704215 PZDASWKDRUARGT-VBKFSLOCSA-N 365.389 2.855 10 40 FFCB COc1cccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c1O 12122009 AAAOYVMZAFJNPK-UHFFFAOYSA-N 364.405 2.517 10 40 FFCB COc1ccccc1N1C(=O)/C(=C/C=C/c2ccco2)C(=O)NC1=S 2281088 QBRKNCNOPOWDMA-HDZFOZLDSA-N 354.387 2.676 10 40 FFCB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NCCC1=CCCCC1 101364392 YFPRTQKFRFOYDT-SFQUDFHCSA-N 371.412 2.768 10 40 FFCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC(C)(C)C3=O)c2C)cc1 4499941 HFAKIOWCLOPBRI-UHFFFAOYSA-N 353.422 2.916 10 40 FFCB O=C(NC[C@H]1CCCO1)[C@H]1Cc2ccccc2CN1Cc1ccccc1O 257173201 GLAVRJNQSPRFTD-WOJBJXKFSA-N 366.461 2.614 10 40 FFCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccc(OC)c1O 59435764 JTPSMCPVLBRGLM-GDNBJRDFSA-N 369.373 2.867 10 40 FFCB CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3cccc(O)c3)S2)C1 2395661 BLURCKZHWINPBO-OJNRTJSBSA-N 360.435 2.638 10 40 FFCB COc1ccccc1/N=N/[C@@H]1C(=O)N(c2ccccc2)N=C1NC(C)=O 97963989 BYFVGEUWZYVZGO-BZROSYFNSA-N 351.366 2.644 10 40 FFCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1cccnc1 6719316 RJUYUUTVKRLZPD-GHRIWEEISA-N 350.447 2.874 10 40 FFCB Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)o1 35623332 CPKSIOBYDWMSSA-MDWZMJQESA-N 360.416 2.840 10 40 FFCB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1OC 1237605 PTTVGWGQFZWUSK-FMIVXFBMSA-N 367.448 2.770 10 40 FFCB COc1cc(C)cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1O 22038671 ZIPCJTWMNXJMQY-UHFFFAOYSA-N 370.449 2.756 10 40 FFCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1 12420259 DHQPCIWJIMCPJK-UVTDQMKNSA-N 371.443 2.636 10 40 FFCB COc1cc(Cl)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 109017966 BPTUXMNSZUQBMO-JYRVWZFOSA-N 358.781 2.819 10 40 FFCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCN1CCOCC1 28711262 XEZZRJPPIDWCHW-UHFFFAOYSA-N 374.440 2.935 10 40 FFCB biogenic Cc1cc(/C=C2\C(=O)N(C)C(=O)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 13892731 SJYKAVWSVREAIA-NVNXTCNLSA-N 368.349 2.934 10 40 FFCB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(Cc2ccccc2Cl)c1 408870433 DONATBHDHZMBFK-UHFFFAOYSA-N 370.792 2.689 10 40 FFCB CC1=CC2=NC(=O)/C(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)C(=N)N2O1 4481345 HDSMTNRCHAYRPC-NVVJUNAFSA-N 354.410 2.734 10 40 FFCB COc1ccc(N2CCN(C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 20347306 NMPWLFPWXCLQKV-HXUWFJFHSA-N 370.493 2.874 10 40 FFCB C[C@H](NC(=O)c1cccc2cn[nH]c12)c1ccc(N2CCOCC2)cc1 65609387 ATRMWXKQNKMADZ-AWEZNQCLSA-N 350.422 2.891 10 40 FFCB Cn1cccc1/C=C1\SC(=S)N(c2ccc(O)c(C(=O)O)c2)C1=O 35648247 ZCIQRHZALLSMCE-JYRVWZFOSA-N 360.416 2.835 10 40 FFCB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)ccc1O 820846 OBFYRQCECCGVGB-CYBMUJFWSA-N 369.215 2.688 10 40 FFCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 408936482 KKQAQLMUNGZYQS-NTEUORMPSA-N 351.318 2.742 10 40 FFCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(Cl)c3)cc2)C1 55916249 MVJDEJKZUVTRGW-INIZCTEOSA-N 371.868 2.972 10 40 FFCB COc1ccc(-n2cccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 33656958 XCHXNLGGTSVPII-RGEXLXHISA-N 359.385 2.947 10 40 FFCB O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccco1 2279834 RGMJOBQRVNCCSE-FFBKCXOWSA-N 356.378 2.802 10 40 FFCB CN(C)c1ccc(/C=C(\C(=O)NCc2ccncc2)n2ccccc2=O)cc1 4560344 KIVIXYSAGQKWOJ-HMMYKYKNSA-N 374.444 2.624 10 40 FFCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(O)c([N+](=O)[O-])c1 409148326 YISPYIHAYNEHSO-ZROIWOOFSA-N 369.358 2.701 10 40 FFCB Cc1cccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)n1 225777435 LIFUHVLGALOCCQ-UHFFFAOYSA-N 355.511 2.628 10 40 FFCB COc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1OC 48748692 LVHVKTUXVPLJKZ-UHFFFAOYSA-N 360.429 2.969 10 40 FFCB CCN1C(=O)C(=Cc2ccc(Br)s2)C(=O)N(CC)C1=S 13487545 NXWTUVCDIMNTAR-UHFFFAOYSA-N 373.297 2.890 10 40 FFCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)c1 408588233 DAAWPDCTRULLMF-RQZCQDPDSA-N 367.405 2.688 10 40 FFCB O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2O)CC1 199418715 ORZSFXUGBXRRTH-UHFFFAOYSA-N 368.433 2.649 10 40 FFCB C[C@]1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1(Cl)Cl 55523294 OHOGFLZZHWGGIV-OAHLLOKOSA-N 361.244 2.862 10 40 FFCB CCc1ccc(OC[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 85842847 PWWHDIPMDKPYFW-FQEVSTJZSA-N 370.493 2.820 10 40 FFCB Cc1csc([C@](O)(CC(=O)N(C)Cc2ccccc2O)C(F)(F)F)n1 58304615 DDZXXEWWCGPEEV-OAHLLOKOSA-N 374.384 2.956 10 40 FFCB NC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)CC1 96346688 BCBFBJMAHQTWSY-JXMROGBWSA-N 355.872 2.569 10 40 FFCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O 409253144 YUYNQIRQGLFLTA-RVDMUPIBSA-N 353.447 2.956 10 40 FFCB Nc1ccc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N)n1 17426447 WRAAWVPQNAYMSS-QURGRASLSA-N 369.410 2.857 10 40 FFCB COc1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1 5513469 LLAPJAUZXLRRFV-DHDCSXOGSA-N 373.206 2.919 10 40 FFCB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(C)cc3)C2=O)cc1 5444394 QWVNIEQEYHSWCA-SFQUDFHCSA-N 350.374 2.633 10 40 FFCB CCOc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1O 705681 WSYDCVQEAFYURX-MHWRWJLKSA-N 352.390 2.869 10 40 FFCB Cc1cc(C)cc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)c1 408899893 RNMWWJPTFHMDJZ-UHFFFAOYSA-N 366.442 2.797 10 40 FFCB O=C1/C(=C\NNc2cccc3ccccc23)C(O)=NC(=S)N1C1CC1 37501316 OZFNMQQKZASEPI-UVTDQMKNSA-N 352.419 2.886 10 40 FFCB CN1CCc2cc([C@H](CNC(=O)c3cccs3)N3CCOCC3)ccc21 22733375 UHEFJPGOCCUQPM-SFHVURJKSA-N 371.506 2.544 10 40 FFCB COC(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 10906329 TWGCZLWZKUQCFW-UHFFFAOYSA-N 368.433 2.582 10 40 FFCB COCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 18069324 IGCSLMZTQIJQTB-CMDGGOBGSA-N 370.356 2.681 10 40 FFCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccccn1 20289461 IKUHJVXLUIBTHH-NBVRZTHBSA-N 364.474 2.870 10 40 FFCB Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 20344738 PLUODFJEVWRTQP-VGOFMYFVSA-N 369.333 2.511 10 40 FFCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)c1 408739616 DEJBCPJRRGNNLH-MHWRWJLKSA-N 368.414 2.622 10 40 FFCB Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1-c1ccccc1 3567958 HDODESGEXWMIEV-UHFFFAOYSA-N 350.378 2.506 10 40 FFCB CCOc1ccc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(C)=C2C(=O)OC)cc1 59435626 ZHKHNSSNDMTRGO-KMTKGMGQSA-N 371.433 2.937 10 40 FFCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 13734008 XVYATKFXIWJFDR-UNJUUPHPSA-N 373.459 2.940 10 40 FFCB C[C@H]1C[C@H](C)CCN1c1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N=C1O 15188030 VHLWLNSUOHUUMG-MNOVXSKESA-N 372.381 2.809 10 40 FFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2)C1=O 408864892 AEYFGQKVZAHXPC-VBKFSLOCSA-N 350.374 2.924 10 40 FFCB COc1ccc(N2C[C@@](O)(c3ccc(OC)cc3)[N+]3=C2SCCC3)cc1 4176947 ZFQJVQRKLKPQKU-HXUWFJFHSA-N 371.482 2.875 10 40 FFCB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)c(C)c1 408598197 XWSWETJIIKCJLM-CXUHLZMHSA-N 367.405 2.688 10 40 FFCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O 409064556 HKQOCNACCPUZEF-BIMARKKQSA-N 360.435 2.907 10 40 FFCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3O)N=C2C)ccc1O 5842720 URAHCRSLMJYETI-NTEUORMPSA-N 352.346 2.548 10 40 FFCB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1 5234923 PUAUTYRONFMTIS-UHFFFAOYSA-N 372.196 2.654 10 40 FFCB O=C(O)c1cc(N2C(=O)/C(=C\c3ccccn3)SC2=S)ccc1O 27530451 MXWWMMMGLSPDLH-NTUHNPAUSA-N 358.400 2.891 10 40 FFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3C)CC2)cc1 3555489 YGFHPVBGMUKLSO-UHFFFAOYSA-N 368.433 2.509 10 40 FFCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 4456080 LXUGVQDEFVXRQX-QINSGFPZSA-N 367.430 2.711 10 40 FFCB CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 83261127 SKTYPAJWNFLTSE-LICLKQGHSA-N 368.389 2.976 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2ccccc2Cl)o1 5028549 SQEQUKHMCDLNAK-UHFFFAOYSA-N 364.835 2.999 10 40 FFCB CC1=NN(c2nnn[nH]2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 102653267 FPPFBEVJUVVIMP-MDWZMJQESA-N 354.757 2.919 10 40 FFCB CCc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)NC2=S)cc1 108027234 QPWQRMGBNPSTGC-UKTHLTGXSA-N 371.374 2.582 10 40 FFCB CCN1c2cc(C)c(C=C3C(=O)NC(=O)NC3=O)cc2C(C)=CC1(C)C 113821141 IFIIZBXTMSPSHX-UHFFFAOYSA-N 353.422 2.766 10 40 FFCB CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)O2 5902150 OIUQJVXWKRBEHP-PDLPPMLWSA-N 365.349 2.960 10 40 FFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1O 1276859 NXQCWHJJDBBCHT-QPEQYQDCSA-N 367.448 2.554 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2)c1 2773545 JQLLGDKTECLJKR-UHFFFAOYSA-N 372.833 2.833 10 40 FFCB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 106765946 QPPZEAMHVBFTIQ-VBKFSLOCSA-N 373.478 2.801 10 40 FFCB CCN(CC)c1ccc(/C=C2/SC(N3CCN(C)CC3)=NC2=O)cc1 19947712 INOHWILEHIZNHB-SAPNQHFASA-N 358.511 2.751 10 40 FFCB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 4853848 CAFKTKVXPDRIMF-LFIBNONCSA-N 350.374 2.978 10 40 FFCB CC(=O)N1[C@H](C(=O)NCc2ccccc2)CS[C@@H]1c1ccccc1O 4699319 GWZCUKQLWFSFPP-QFBILLFUSA-N 356.447 2.671 10 40 FFCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc3c(c2)CCC3)cc1 12522209 SUQWOPPKRSYXHY-UHFFFAOYSA-N 367.449 2.504 10 40 FFCB Cc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 12924168 DEDNSCNVIUACBM-UHFFFAOYSA-N 374.871 2.821 10 40 FFCB CC(=C\c1ccco1)/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408858925 UKOXROFCZJKIDG-HPIZBCMHSA-N 366.329 2.621 10 40 FFCB Cc1ccc(/N=N\c2cc(C)ccc2N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1 245232580 YFPIVGOSXSIEFG-CVVUAEFPSA-N 371.437 2.958 10 40 FFCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2214341 ZTHLFCPMXVGMDT-YLBKJLTLSA-N 361.448 2.873 10 40 FFCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408811244 AGYCZTAILNEJHW-MLPAPPSSSA-N 360.757 2.836 10 40 FFCB CC(C)COc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O 409045310 GESMGCLPCHFKKC-UHFFFAOYSA-N 357.193 2.778 10 40 FFCB C[C@H]1Cc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)ccc2O1 408710809 MHLWGMIBZNGIKH-YAFRSCOQSA-N 366.348 2.816 10 40 FFCB Cc1cc(C)cc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c1 408896569 SAJHZIPCFLHFBE-UHFFFAOYSA-N 350.374 2.632 10 40 FFCB CN(C)c1ccc(CNC(=O)c2cn[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1 72329417 CXMSLBISJAUAPY-UHFFFAOYSA-N 365.393 2.981 10 40 FFCB O=C(O)CCCN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S 5070266 VPQMKGZIPJDHGW-UKTHLTGXSA-N 365.432 2.524 10 40 FFCB CN1CCCc2cc(CNC(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)ccc21 69950519 RQWJHIDPMTZVQX-JOCHJYFZSA-N 364.445 2.857 10 40 FFCB COc1ccc(N2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)cc1 6603529 HBRWSQUWSLCZDS-UHFFFAOYSA-N 353.382 2.578 10 40 FFCB CC(=O)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 34761210 OBMOBCDCQYUMOI-ZROIWOOFSA-N 356.765 2.727 10 40 FFCB COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 986684 XRGHUXQRMXSQAO-ZRDIBKRKSA-N 356.378 2.666 10 40 FFCB CC1CCN(c2ccc([C@H](C)NS(=O)(=O)c3cnn(C)c3)cc2)CC1 19716041 NEJKRLNUWCNBBP-HNNXBMFYSA-N 362.499 2.696 10 40 FFCB COc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)ccc1O 38185325 IMZONXHDVIBVQP-JYRVWZFOSA-N 354.318 2.613 10 40 FFCB COCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OC 224401329 GSXNFCHXXVDILV-UHFFFAOYSA-N 370.449 2.813 10 40 FFCB O=C1[C@@H](Cc2ccc3c(c2)OCO3)SC(=S)N1Cc1cccnc1 6970959 DKAJOVHYEQDXGL-OAHLLOKOSA-N 358.444 2.782 10 40 FFCB CCc1cc(=O)oc2c(CN[C@H](Cc3ccccc3)C(=O)O)c(O)ccc12 2139623 KFSANEVZNCAVEL-QGZVFWFLSA-N 367.401 2.847 10 40 FFCB biogenic O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NC1CCCC1 4263500 QMRGZJMQPYDDLO-JLHYYAGUSA-N 350.465 2.930 10 40 FFCB CSC1=NSC2=NC(=O)/C(=C/c3coc4ccccc4c3=O)C(=N)N12 5341868 AMBSMJGRIPOLHJ-RBKZQELPSA-N 370.415 2.733 10 40 FFCB COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3C(=O)O)CC2)cc1 408712836 VRIGFKKAGPWWSK-UHFFFAOYSA-N 357.366 2.628 10 40 FFCB CCCN1C(=O)/C(=C/c2cccc(OC)c2OCC(=O)O)SC1=S 409351391 UEAPFUQUMUSCOZ-WQLSENKSSA-N 367.448 2.770 10 40 FFCB O=C1N=C(O)/C(=C\NN2CCCCCC2)C(=O)N1CCc1ccc(F)cc1 38167698 HGKNGDWCFNJPMM-DTQAZKPQSA-N 374.416 2.551 10 40 FFCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(OC(C)C)cc3)S2)CC1 1471567 IGDOTPAYIKQQNY-SFQUDFHCSA-N 373.478 2.608 10 40 FFCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374608 QDLKSUSRJUMLQV-JFBXQDQPSA-N 358.444 2.912 10 40 FFCB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2cccnc2)SC1=S 35041509 ICJNMXAYPIEWKO-NTEUORMPSA-N 355.444 2.557 10 40 FFCB O=C1COC2(CCN(Cc3ccccc3O)CC2)CN1c1ccc(F)cc1 2037978045 OVMJXTHOHDPINY-UHFFFAOYSA-N 370.424 2.929 10 40 FFCB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(C(C)C)C1=O 409245796 ZEOUYOBAPDNMOE-YBEGLDIGSA-N 362.451 2.977 10 40 FFCB COc1ccc(N2CCN(c3ccc(N)cc3C(=O)NC(C)C)CC2)cc1 225490016 CEQSZQPSANASEU-UHFFFAOYSA-N 368.481 2.742 10 40 FFCB NS(=O)(=O)c1ccc(/N=N/[C@@H]2Sc3nc4ccccc4n3C2=O)cc1 42924046 GWESPXKLHYXRDQ-NIVDNSEKSA-N 373.419 2.540 10 40 FFCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(N(C)C)cc1 4140304 HETILLMYZSPZBJ-KMTKGMGQSA-N 370.449 2.604 10 40 FFCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(SC)cc2)cc1 8774768 HQKYGLVNHNMKOU-UHFFFAOYSA-N 373.478 2.738 10 40 FFCB CCOc1ccc(N(C)Cc2nnc3n(C)c(=O)c4sccc4n23)cc1 95960791 WPDFXRXHDFNYEN-UHFFFAOYSA-N 369.450 2.678 10 40 FFCB CN(C)c1ccc(CN2CCc3c(O)nc(-c4cccnc4)nc3C2)cc1 19584987 DVWTXLPNSWIGJJ-UHFFFAOYSA-N 361.449 2.869 10 40 FFCB OCCN1CCN([C@H](c2ccccc2)c2ccc3cccnc3c2O)CC1 19370759 PZPDIHSNPVGTMR-OAQYLSRUSA-N 363.461 2.640 10 40 FFCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(C)(=O)=O)cc1 102145882 CYHVMRXVVMYOOD-VRTBNJGNSA-N 356.407 2.965 10 40 FFCB COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccncc2)C1=O 13803549 ATYNLKPQXGQLRQ-UVTDQMKNSA-N 371.443 2.636 10 40 FFCB COc1ccc(N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 5120700 KSQXFNSZJVCOAY-UHFFFAOYSA-N 360.479 2.823 10 40 FFCB CCOc1cc(/C=C2/SC(=S)N([C@@H](CC)C(=O)O)C2=O)ccc1O 16890343 ZOTFGTNTTRFCIK-XNFYSYIQSA-N 367.448 2.855 10 40 FFCB CCOCCCNC(=O)CSc1nc(-c2ccc(O)c(O)c2)cs1 12249837 YSXCCNPTDYGQSM-UHFFFAOYSA-N 368.480 2.856 10 40 FFCB CC1=NN(C(=O)c2ccccc2)C(=O)[C@@H]1/N=N\c1ccccc1C(=O)O 104280392 OINAKONFDMULMT-MVZUJROASA-N 350.334 2.896 10 40 FFCB COc1ccc(N(CCC(N)=O)CC(=O)N(c2ccccc2)C(C)C)cc1 14682216 DEUZGEZQVJPGQV-UHFFFAOYSA-N 369.465 2.819 10 40 FFCB CN(Cc1ccccc1O)C(=O)[C@H]1CSCN1C(=O)c1ccccc1 83865586 XBIRDQLVDBEGFX-MRXNPFEDSA-N 356.447 2.566 10 40 FFCB CN1CCCc2cc(/C=C/C(=O)Nc3ccc(S(C)(=O)=O)nc3)ccc21 61160357 BRRGHVPPQFYCJR-RMKNXTFCSA-N 371.462 2.519 10 40 FFCB COc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 41084261 VMXWVUQMVFIIOF-PYDVBCTCSA-N 363.402 2.758 10 40 FFCB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@@H]2c1ccccc1O 104279960 YBVTYYLTIKLBBJ-IBGZPJMESA-N 373.416 2.648 10 40 FFCB COC(=O)c1ccc(/N=N/c2nc(CCNC(=O)C(F)(F)F)c[nH]2)cc1 17043794 UXCWAAQFHXZECD-GHVJWSGMSA-N 369.303 2.833 10 40 FFCB COc1ccc(N(CCC(N)=O)Cc2cc(C(C)=O)ccc2OC)cc1 12510998 VWOFXBPZODHDFW-UHFFFAOYSA-N 356.422 2.788 10 40 FFCB C[C@H]1CN(C(=O)C2CCN(Cc3cc4c(cc3O)CCC4)CC2)C[C@@H](C)O1 54470865 OWRDBBWPOJKKEI-IYBDPMFKSA-N 372.509 2.729 10 40 FFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 1805080 JTMHWUQRWYGWFD-HKMIMPICSA-N 367.448 2.768 10 40 FFCB O=C(O)CN1C(=O)/C(=C\c2csc(Br)c2)SC1=S 45111289 ASVCYJRINAKVQW-LZCJLJQNSA-N 364.267 2.796 10 40 FFCB Cc1cccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)c1 408752074 FTKFODJGWQDFRL-UHFFFAOYSA-N 351.406 2.836 10 40 FFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1O 2218706 JRWPPLFECHOETB-NTEUORMPSA-N 370.336 2.596 10 40 FFCB COc1ccc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1 2627968 CXJPCSSCTHHOGZ-UHFFFAOYSA-N 364.401 2.764 10 40 FFCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(O)c(Br)c1 58866135 VUMWJYLWIINFAY-UHFFFAOYSA-N 353.168 2.908 10 40 FFCB COc1ccc([C@@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)cc1 26441796 IJAAMPLVMCQUNS-FQEVSTJZSA-N 355.483 2.862 10 40 FFCB [O-][n+]1onc(/N=N/c2no[n+]([O-])c2-c2ccccc2)c1-c1ccccc1 5667248 YWUYNDZYZAJKCQ-ISLYRVAYSA-N 350.294 2.679 10 40 FFCB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1ccc(F)c(Cl)c1 101651473 WHLNHPUQHYLIPF-YRNVUSSQSA-N 371.763 2.635 10 40 FFCB O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(N2CCCC2)cc1 48356606 HYYUUCXQHJEUHE-UHFFFAOYSA-N 364.511 2.651 10 40 FFCB NC1=NC(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)S1 13149269 LRGGLIAQKOGIMV-OQLLNIDSSA-N 371.393 2.772 10 40 FFCB COc1ccc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 8780413 QEHMPEHHTLZYIR-UHFFFAOYSA-N 370.449 2.569 10 40 FFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC)C2=O)cc1 4692952 PZDMJPZVARSEFD-VBKFSLOCSA-N 366.373 2.760 10 40 FFCB CC[C@H](C)[C@@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 11866850 UYFNOTJIQGIEIF-APPDUMDISA-N 359.422 2.966 10 40 FFCB COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409400448 QZDHYNCHXRXTJY-UVTDQMKNSA-N 373.206 2.919 10 40 FFCB CN(C)C(=O)c1ccc(NC(=S)NCCN(C)c2ccccc2)cc1 225572371 DFPUPSYCVMNJFF-UHFFFAOYSA-N 356.495 2.811 10 40 FFCB O=C1NC(=S)N=C(O)/C1=C/c1coc2c(ccc3ccccc32)c1=O 2438325 XPRAIXJYVNPHDX-UHFFFAOYSA-N 350.355 2.701 10 40 FFCB C[C@@H]1CCc2c(sc(NS(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1 7409927 BMCYOVMGRRXZGG-SECBINFHSA-N 368.455 2.912 10 40 FFCB CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408935075 GJDPARIHUVGCNO-ATVHPVEESA-N 366.373 2.847 10 40 FFCB CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1N=Nc1ccccc1 255992208 OILFJMYLWASPJD-HNNXBMFYSA-N 358.379 2.808 10 40 FFCB O=C1N=C(O)/C(=C\NNc2ccccc2)C(=O)N1Cc1ccc(F)cc1 16996263 KOGLPYMWSLRVMN-XNTDXEJSSA-N 354.341 2.745 10 40 FFCB CN(C)C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 3096885 ROPHVTPBNLXEQB-UHFFFAOYSA-N 351.431 2.797 10 40 FFCB COc1ccc(N2CCOCC2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 7496721 CWELOPZRPLUOSK-UHFFFAOYSA-N 357.366 2.692 10 40 FFCB Cc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C 980371 GUQSXIFTVPPAPB-UHFFFAOYSA-N 373.865 2.970 10 40 FFCB CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 9367662 DJMKPFYQVREJMM-UHFFFAOYSA-N 360.479 2.818 10 40 FFCB CC[C@@H](C)[C@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 13540237 UYFNOTJIQGIEIF-DIFFPNOSSA-N 359.422 2.966 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(O)c1 408886418 GZBZIZMCUYPNLC-CXUHLZMHSA-N 366.373 2.684 10 40 FFCB O=C(O)CCNC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1 242522365 IPOKCKJONYRRHP-UHFFFAOYSA-N 357.322 2.710 10 40 FFCB investigational NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccccc3[N+](=O)[O-])cc2)C1 54124346 SETMNRIIDKDAND-OAHLLOKOSA-N 354.410 2.909 10 40 FFCB CCOc1ccc(/C=C2/C(=O)N(CCCOC)C(C)=C2C(=O)OC)cc1 2375639 YZHLWVPZWAVDRE-GHRIWEEISA-N 359.422 2.794 10 40 FFCB COc1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1Cl 880427 PKLIDAWVQNGMRD-UHFFFAOYSA-N 362.794 2.523 10 40 FFCB in-vivo CC1(C)C[C@@]2(C[C@@](C)(C3=NC(Nc4ccccc4)=S=C3)OC2=O)C(=O)O1 102453010 JHJVATZHRKWPFP-RBUKOAKNSA-N 372.446 2.593 10 40 FFCB Cc1cc(O)c(CN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1C 44757249 KCTOUYDTNBSNJJ-SFHVURJKSA-N 359.514 2.528 10 40 FFCB Cc1c(CC(=O)NCCCc2ccccc2)c(=O)oc2c(O)c(O)ccc12 4089698 QYQUWEQXYXEKLR-UHFFFAOYSA-N 367.401 2.804 10 40 FFCB biogenic CCCCOc1ccc2ccccc2c1C=C1C(=O)NC(=S)NC1=O 409005125 CQZKTVTWTMTAIW-UHFFFAOYSA-N 354.431 2.933 10 40 FFCB CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1C 409068908 KGAMQJXXYOTQJH-LFIBNONCSA-N 353.447 2.956 10 40 FFCB CCCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 409040281 GEWACLZWASKQJE-UHFFFAOYSA-N 359.234 2.697 10 40 FFCB COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2 2744790 MUTNGMJUXMTKSV-UWVGGRQHSA-N 351.424 2.853 10 40 FFCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccn1 1847217 ZHNAKMANOXJMNJ-FLIBITNWSA-N 361.473 2.983 10 40 FFCB O=C1NC(=O)C(=Cc2cc(Cl)ccc2Cc2cccc(F)c2)C(=O)N1 408884404 XPXIVAMGFYUXLZ-UHFFFAOYSA-N 358.756 2.819 10 40 FFCB Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(C)C1=O)[C@H](C)CC(C)(C)N2C 208219066 KQCAOMVOFCBNPV-KMHUVPDISA-N 371.506 2.974 10 40 FFCB Cn1cc(C(=O)N2CCc3ccccc32)c2nn(-c3ccccc3)c(=O)c-2c1 9661336 CHMZDXGVWGGAFA-UHFFFAOYSA-N 370.412 2.879 10 40 FFCB O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/Nc1cccc(F)c1 6423786 FZVNSCFJAWHEQM-OQLLNIDSSA-N 373.384 2.704 10 40 FFCB Cc1ccc(Cl)cc1N/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 408547104 WIPBZPOWRWGLCM-JYRVWZFOSA-N 359.769 2.816 10 40 FFCB O=C1/C(=C/NCCO)C(c2ccccc2)=NN1c1nc2ccccc2s1 100431880 QQRYIENSJJKKCM-WYMLVPIESA-N 364.430 2.513 10 40 FFCB COc1ccc(N2CCN(C(=O)c3cccc(C)c3)CC2)c([N+](=O)[O-])c1 107827446 GMGNRXVXAPBJJS-UHFFFAOYSA-N 355.394 2.874 10 40 FFCB CN(C)Cc1c(O)ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc12 19703074 IYPYOSNUSXBFTR-UHFFFAOYSA-N 353.374 2.998 10 40 FFCB biogenic COCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 96930819 QNVZCDVNLXDZBB-RAXLEYEMSA-N 351.449 2.711 10 40 FFCB O=C(NC1(N2CCCC2)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 226297441 DWXIXIHPQIXLAA-UHFFFAOYSA-N 368.820 2.941 10 40 FFCB CN1N=C(c2ccccc2)/C(=C/c2c(-c3ccccc3)[nH]n(C)c2=O)C1=O 13914266 KXZZPPRCORNCOG-LGMDPLHJSA-N 358.401 2.640 10 40 FFCB CN1CCN([C@@H](CNC(=O)C(C)(C)C)c2ccc3c(c2)CCCN3C)CC1 22734739 OVMUSRVINDUAFJ-FQEVSTJZSA-N 372.557 2.520 10 40 FFCB CN(Cc1ccccc1O)C(=O)C1CCN(C(=O)c2cccs2)CC1 42117271 UPHULNPUQZEJRC-UHFFFAOYSA-N 358.463 2.965 10 40 FFCB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccccc1O 2260932 AEHKRWVEEOJQDV-WQLSENKSSA-N 362.457 3.000 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1cccc(OCc2cccc(Cl)c2)c1 408936509 KQOQNGUMGUFITD-UHFFFAOYSA-N 372.833 2.833 10 40 FFCB COc1cccc2cc(-c3cc(=O)oc4c(O)c(O)ccc34)c(=O)oc12 20426696 CLKQDGSSGRCXLQ-UHFFFAOYSA-N 352.298 2.986 10 40 FFCB biogenic COc1ccc(OC)c(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)c1 831630 AICGEFBMHNQWOL-GZTJUZNOSA-N 352.390 2.782 10 40 FFCB Cn1cccc1/C=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O 2333105 KJCWFFVOKRNCEF-XDPMZMSMSA-N 372.471 2.922 10 40 FFCB CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(N2CCCC2=O)cc1 72303730 RFYTWXUTIBDRHI-UHFFFAOYSA-N 365.433 2.919 10 40 FFCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)OC(C)C 408605925 ZFJYPSVXPKSJQH-NTUHNPAUSA-N 367.448 2.514 10 40 FFCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(C)C 1281931 ACVNBINRSSOSGS-NTUHNPAUSA-N 367.448 2.768 10 40 FFCB COc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1OC 26686915 OGLXPHHKRQZXID-VIWCAORXSA-N 362.451 2.783 10 40 FFCB COc1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 113959235 HAYSESHITNCVQW-INIZCTEOSA-N 370.449 2.616 10 40 FFCB O=C(O)/C=C\C(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1O 80316325 BINHIVBSKSAXBB-ZBTGYSDGSA-N 354.337 2.850 10 40 FFCB CCOC(=O)N1CCN(/C=C2/SC(=S)N(CCC(C)C)C2=O)CC1 9050739 ZLKZTNJFEILOED-ACCUITESSA-N 371.528 2.508 10 40 FFCB CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1ccc(C(=O)c2ccccc2)cc1 100524814 VPJVPVOWYNOUDQ-IWKHNONTSA-N 365.418 2.832 10 40 FFCB CCNc1nc(NCC)n2c(SCC(=O)c3ccc(C)cc3)nnc2n1 4134823 ANAMLIJRNDQDJX-UHFFFAOYSA-N 371.470 2.666 10 40 FFCB CC(=O)N1[C@H](C(=O)NCc2ccc(C)cc2)CS[C@@H]1c1ccccc1O 4699323 PIISJDXTMDICLB-FXAWDEMLSA-N 370.474 2.980 10 40 FFCB O=C1N=C(O)/C(=C/NCCCn2ccnc2)C(=O)N1c1ccc(Cl)cc1 103097717 MHVVZFTYVRBPHG-UVTDQMKNSA-N 373.800 2.523 10 40 FFCB CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 222870296 UIQSHAUUDLFTNE-OAQYLSRUSA-N 367.493 2.912 10 40 FFCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(C)C3=O)c2C)c1C 409190601 SPSKYJNSRMGFGM-MHWRWJLKSA-N 367.405 2.712 10 40 FFCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1nccs1 4263509 QLTDSWVCDLRSCT-CSKARUKUSA-N 365.461 2.966 10 40 FFCB CN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 1830205 WYDXRSGXPOKDQH-HJWRWDBZSA-N 355.238 2.602 10 40 FFCB CCN1C(=O)/C(=C/c2cccn2-c2cccc(C)c2C)C(=O)NC1=S 409393704 ZCUZTGJFTPYTFO-RVDMUPIBSA-N 353.447 2.741 10 40 FFCB CCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1OCC 33317831 HFWCEZSCNNPVIQ-VBKFSLOCSA-N 362.451 2.787 10 40 FFCB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59247886 DPKMERYBURBBJK-MKMNVTDBSA-N 359.769 2.626 10 40 FFCB O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 33395684 PPGDBDIMGZEDKQ-CXWDMRCRSA-N 365.501 2.631 10 40 FFCB Cc1ccc(N2NC(=O)/C(=C\c3cc(Br)ccc3O)C2=O)cc1 3148632 JWGHDYRIQKCNAB-NTEUORMPSA-N 373.206 2.925 10 40 FFCB Cc1cc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)no1 2701130 YMAGQMNLWLNKDN-POHAHGRESA-N 365.461 2.884 10 40 FFCB Cc1ccccc1N1C[C@@](O)(c2cccc([N+](=O)[O-])c2)[N+]2=C1SCC2 2966051 CULNJGCBQBBKBF-GOSISDBHSA-N 356.427 2.684 10 40 FFCB COc1ccc(N2CCN(C(=O)CSc3ccccc3N)CC2)cc1 38551612 WQMDXGBVGXQQNI-UHFFFAOYSA-N 357.479 2.718 10 40 FFCB CN1CCN([C@H](CNC(=O)C(C)(C)C)c2ccc3c(c2)CCCN3C)CC1 22734742 OVMUSRVINDUAFJ-HXUWFJFHSA-N 372.557 2.520 10 40 FFCB CCc1cc(=O)oc2c(CN[C@@H](Cc3ccccc3)C(=O)O)c(O)ccc12 2139622 KFSANEVZNCAVEL-KRWDZBQOSA-N 367.401 2.847 10 40 FFCB biogenic COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1O 15011489 SUJMGDLBTPFCMK-WEVVVXLNSA-N 360.254 2.994 10 40 FFCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1CCN1CCOCC1 96930782 FGHFSIFSZKJBAV-SDNWHVSQSA-N 368.911 2.873 10 40 FFCB Cc1cc(C(=O)CN2C(=O)N(C)C(C)(C)C2=O)c(C)n1-c1ccccc1 12522368 AGLGINPNSAPAFY-UHFFFAOYSA-N 353.422 2.949 10 40 FFCB C[C@H](Oc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1)C(=O)O 58464685 HXSVHMKBHADUMG-CMHHUMAZSA-N 360.435 2.995 10 40 FFCB C=CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 33551735 JGFRELXWNLLDPD-QINSGFPZSA-N 365.345 2.621 10 40 FFCB O=C1/C(=C/c2cccs2)SC(=S)N1CCCN1CCOCC1 20265262 JMFGLSCDGKQELD-QBFSEMIESA-N 354.522 2.672 10 40 FFCB C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccc2c(c1)CCCN2C 57550205 BQBXGSURQXJRRP-ZDUSSCGKSA-N 357.479 2.565 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc2c(cc1O)OCCO2 8747030 YWPBXJMJUGHELE-UHFFFAOYSA-N 370.449 2.632 10 40 FFCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cn1 225839949 IUFYTDMOPGQPDF-CQSZACIVSA-N 372.494 2.974 10 40 FFCB CCN(CC)CCN/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 102527547 XSWBCNGKWWFCKV-KAMYIIQDSA-N 364.833 2.578 10 40 FFCB COc1ccc(N2CCN(CC(=O)NCCCc3ccccc3)CC2)cc1 57548534 XCYSQSWHCWKGEU-UHFFFAOYSA-N 367.493 2.566 10 40 FFCB COc1ccc2c(c1)CCN2CC(=O)Nc1ccc(N2CCOCC2)cc1 58942545 UCMNGLPSJGKGSD-UHFFFAOYSA-N 367.449 2.533 10 40 FFCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCCCC1 4263495 MPZJXDOPOPWCNA-ACCUITESSA-N 350.465 2.883 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)o3)C2=O)cc1Cl 408985495 KUVBUONPYZHIQE-LCYFTJDESA-N 373.796 2.974 10 40 FFCB CC1CCN(C2=NN3C(=N)/C(=C/c4ccc(O)cc4)C(=O)N=C3S2)CC1 2202960 RHCSLMWPLLBUHJ-WOSMYTDYSA-N 369.450 2.701 10 40 FFCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cccnc1 13570000 GRQFIWPBATWUIY-AQTBWJFISA-N 364.474 2.870 10 40 FFCB COc1ccc(-n2nnnc2CNC(=O)Nc2ccc(C)c(C)c2)cc1 9571376 XLHXAXNZPCNKNU-UHFFFAOYSA-N 352.398 2.609 10 40 FFCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c[nH]cn1 101152973 GOFOYVLOCVPKTD-WJDWOHSUSA-N 366.450 2.848 10 40 FFCB CC(=O)N1CCN(C2=NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)CC1 13750396 BFNQQNTUNOZZEF-ATVHPVEESA-N 357.479 2.944 10 40 FFCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)c1 408916475 CXQPYQOLOCYAKT-YBEGLDIGSA-N 370.405 2.974 10 40 FFCB O=C1COC2(CCN(Cc3ccccc3O)CC2)CN1c1cccc(F)c1 2037977742 BKVSJGBHWQRPIV-UHFFFAOYSA-N 370.424 2.929 10 40 FFCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)c(O)c2)n2ncnc2N1 1467344 BZGYMQLKUQWEIJ-QGZVFWFLSA-N 363.377 2.617 10 40 FFCB CCN1C(=O)/C(=C2\SC(=S)N(CCCOC)C2=O)c2ccccc21 13590978 JNCIAHUGNMSHOQ-YPKPFQOOSA-N 362.476 2.661 10 40 FFCB COc1cccc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1O 5671145 PRQLNKGCRIDLSX-YHBKKTFFSA-N 370.312 2.582 10 40 FFCB C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(NC(N)=O)cc1 79602417 NGAICXLJCFEBFT-CYBMUJFWSA-N 355.442 2.804 10 40 FFCB Cc1cc(O)c(CN2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1C 54470734 WOPMBSGXTKJQBT-IRXDYDNUSA-N 360.498 2.857 10 40 FFCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)O)c4ccccc34)[C@H]21 64447517 HPENFTSJGKRLNE-FQEVSTJZSA-N 361.401 2.873 10 40 FFCB COc1ccc(N2CCN(CCCNC(=O)c3ccccc3F)CC2)cc1 9322041 OAAOEUVHOSQMQA-UHFFFAOYSA-N 371.456 2.776 10 40 FFCB COc1cccnc1NC(=S)N[C@H](C)c1ccc(N2CCOCC2)cc1 225839986 YRMZEAHPXLHWJL-CQSZACIVSA-N 372.494 2.974 10 40 FFCB Cc1ccc(/N=N\c2cc(C)ccc2N[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 4959824 YFPIVGOSXSIEFG-PIOCFROTSA-N 371.437 2.958 10 40 FFCB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1N1CCCC1=O 20042072 XFAAPVSPQZRZDD-UHFFFAOYSA-N 374.418 2.651 10 40 FFCB C[C@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 55531445 ZENIBQWJSJDQCH-LZWOXQAQSA-N 350.434 2.625 10 40 FFCB Cc1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1 16661692 WVYOALOYOODTMW-LCFDYFRESA-N 365.432 2.514 10 40 FFCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(O)c2)SC1=S 4794983 GUDOSHXDNHLWRU-OYGDSYQHSA-N 369.489 2.800 10 40 FFCB O=C1N=C(O)/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1 8996027 NNADYMOQYRQMAC-KPKJPENVSA-N 359.269 2.829 10 40 FFCB CC(=O)n1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c2ccccc21 4555429 CXNSLPORKOIOEO-AWNIVKPZSA-N 360.416 2.587 10 40 FFCB O=C(O)CN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 3044220 MCOUEQRPOHYVLX-RUDMXATFSA-N 358.784 2.534 10 40 FFCB CC(C)c1ccc(N2C(=O)N=C(O)/C(=C/NCCCN(C)C)C2=O)cc1 102604258 YKMJARHXCGVPFM-VBKFSLOCSA-N 358.442 2.658 10 40 FFCB CC(C)CNc1cc(N(C)CCO)c(N)c2c1C(=O)c1ccccc1C2=O 6664294 BKRLRJNFEISYOJ-UHFFFAOYSA-N 367.449 2.541 10 40 FFCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1 408996579 QDRZDJDGAWKPJK-NVNXTCNLSA-N 357.797 2.839 10 40 FFCB COC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 409095070 HDBJRKYBBHCDCD-NTEUORMPSA-N 364.398 2.635 10 40 FFCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1 408878668 AFUUJVILVZCJAP-SFQUDFHCSA-N 366.373 2.760 10 40 FFCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N/c1ccc(C)c([N+](=O)[O-])c1 104204123 JQGZXEGDSVWTQD-FZFLATATSA-N 366.337 2.809 10 40 FFCB CC[C@@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1239043 JBULLNIQFJIPBY-GARZTLJTSA-N 351.449 2.935 10 40 FFCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCCC1 4745365 HTSMYGOCHZMRFM-FMIVXFBMSA-N 352.506 2.962 10 40 FFCB COc1ccc(N2CCN(C[C@@H](O)COc3cccc(C)c3C)CC2)cc1 22573213 MZDMBBZNOURPFJ-HXUWFJFHSA-N 370.493 2.874 10 40 FFCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(OC)c1 409129450 GRYSTBYJMOENAV-RIYZIHGNSA-N 364.423 2.662 10 40 FFCB O=c1cc([C@H]2CCCN(Cc3ccccc3O)C2)nc(-c2cccnc2)[nH]1 72393042 MMDWJAQVPLMIKE-INIZCTEOSA-N 362.433 2.917 10 40 FFCB COCc1noc(C2(NCc3c(O)ccc(Cl)c3F)CCOCC2)n1 585141817 GLUNLNVKSIQZOX-UHFFFAOYSA-N 371.796 2.510 10 40 FFCB COc1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1 2497136 VQLGGQWIEZSHOF-UHFFFAOYSA-N 358.213 2.964 10 40 FFCB CCN(CCNC(=O)c1cccc(OC)c1OC)c1ccc(OC)cc1 225049633 KLXMQLDVAXDNAI-UHFFFAOYSA-N 358.438 2.969 10 40 FFCB CCOC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)C)cc1 1441614 IWUJEXSCYGXFPP-KRWDZBQOSA-N 354.410 2.980 10 40 FFCB COc1ccc(N2CCN([C@H](C)C(=O)N3CCc4ccccc43)CC2)cc1 57548205 UXFHNHSZCVRFML-QGZVFWFLSA-N 365.477 2.795 10 40 FFCB O=C1/C(=C\c2cccnc2)c2ccc(Cl)cc2N1CN1CCOCC1 9422448 DKMHAMUOOXBMIV-YVLHZVERSA-N 355.825 2.912 10 40 FFCB COCCN1C(=O)/C(=C/C=C/c2ccco2)C(=O)N(c2ccccc2)C1=O 409013846 WHJOZCXKXBJVMV-UWEUVYFBSA-N 366.373 2.861 10 40 FFCB C/C(NC#N)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 857604 BKFHKPRMIRDMKW-YFHOEESVSA-N 351.313 2.906 10 40 FFCB C[C@@H](NCc1c(O)cc(O)c2c(=O)c(-c3ccc(F)cc3)coc12)C(=O)O 20111270 VTESKULQICWVBB-SECBINFHSA-N 373.336 2.573 10 40 FFCB biogenic COc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] 59475165 IIWOOCBXTNFPDQ-MDWZMJQESA-N 373.752 2.718 10 40 FFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC)C2=O)cc1 408982369 DKASCJKWAPOTBH-VBKFSLOCSA-N 350.374 2.924 10 40 FFCB CC1=NN(C(=O)c2ccccc2)C(=O)[C@H]1/N=N/c1ccccc1C(=O)O 102920094 OINAKONFDMULMT-CVTQAYBASA-N 350.334 2.896 10 40 FFCB CCCN1C(=O)N/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 409246185 GCSIRWZOXXEZEG-GXDHUFHOSA-N 359.426 2.607 10 40 FFCB COc1ccc(N(CCC(N)=O)CC(=O)NC2CCCCCCC2)cc1 12545990 FYXIENXBMNOJML-UHFFFAOYSA-N 361.486 2.606 10 40 FFCB COc1ccc(N2CCC[C@]3(C2)CN(c2ncc(C)cn2)CCO3)cc1 96074755 BQTYXTLCBXVSBX-FQEVSTJZSA-N 354.454 2.669 10 40 FFCB C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 55531450 ZENIBQWJSJDQCH-FMKPAKJESA-N 350.434 2.625 10 40 FFCB Cc1c(CC(=O)N[C@@H](C)c2ccccc2)c(=O)oc2c(O)c(O)ccc12 4089794 DBEZPPYUXRLUJL-LBPRGKRZSA-N 353.374 2.933 10 40 FFCB biogenic COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1O 409127862 RUBPRFLBNNMHDH-GDNBJRDFSA-N 354.387 2.801 10 40 FFCB COc1ccc(N2CCN(CC(=O)Nc3cccnc3Cl)CC2)cc1 57364668 MBNGSIUWVKDUQT-UHFFFAOYSA-N 360.845 2.504 10 40 FFCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(O)c1 408894557 REQOQMYTOPDNIW-YVLHZVERSA-N 350.374 2.660 10 40 FFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccncc3)SC2=S)cc1 35363019 SXGKOMFXOCBXKB-GXDHUFHOSA-N 371.443 2.636 10 40 FFCB COc1cccc(CN2CCc3c(O)nc(-c4cccnc4)nc3C2)c1O 19567216 VIGLIPSCUKMRAY-UHFFFAOYSA-N 364.405 2.517 10 40 FFCB CCCN1C(=O)/C(=C/c2c(NCC)nc3ccccn3c2=O)SC1=S 1246211 MEOJMNOHLIUPCT-BENRWUELSA-N 374.491 2.738 10 40 FFCB O=C1CN(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)c2ccccc2N1 12781501 PVIUOUPXWABJKN-ZHACJKMWSA-N 358.401 2.930 10 40 FFCB O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2c(c1)OC(F)(F)O2 75110201 JOCHXGZNOCQFMB-UHFFFAOYSA-N 352.293 2.784 10 40 FFCB O=C1C(/C=C/C=C/C=C2/Sc3cccc[n+]3C2=O)=S=C2C=CC=CN12 409415795 QFDHCMSQJVLIAX-JYJQLYRISA-N 365.459 2.678 10 40 FFCB CN1CCN(c2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2)CC1 49740645 QBOYCPQPJBKFCO-UHFFFAOYSA-N 373.884 2.787 10 40 FFCB CC(=O)N1C(=O)/C(=C2\SC(=S)N(C(C)(C)C)C2=O)c2ccccc21 5552076 WIUCSCNQPRAKBM-SEYXRHQNSA-N 360.460 2.950 10 40 FFCB Cc1nc([C@@H]2CCN(Cc3ccc(N4CCCC4)cc3C)C2)cc(=O)[nH]1 19570626 HBOVRNSZXBBDEQ-GOSISDBHSA-N 352.482 2.976 10 40 FFCB O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2cccnc2)SC1=S 5520147 ICJNMXAYPIEWKO-ZROIWOOFSA-N 355.444 2.557 10 40 FFCB NC(=O)[C@@H]1CCCN(c2ccc(CNc3cnc4ccccc4n3)cc2)C1 54124356 BZQXCMIVVWXGMK-MRXNPFEDSA-N 361.449 2.944 10 40 FFCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 10057304 NHSVWBFNRKJNHW-CYBMUJFWSA-N 366.870 2.664 10 40 FFCB CCOc1ccc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Br 1137634 SEYJIGAIYJNVLJ-KPKJPENVSA-N 369.240 2.954 10 40 FFCB O=C(O)COc1ccccc1/C=C1\C(=O)N(C2CCCCC2)C(=O)N=C1O 1262072 CYNICUQWJDHKDB-UVTDQMKNSA-N 372.377 2.785 10 40 FFCB CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccnc3)no2)cc1 15674494 DEYHSJXSEVAQET-MSOLQXFVSA-N 365.437 2.506 10 40 FFCB biogenic,in-vitro Cc1cc(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccccn1 12533425 RWWSEAMNSHBSPO-HZPDHXFCSA-N 363.417 2.623 10 40 FFCB O=C1/C(=C/c2cccc3cccnc23)SC(=S)N1N1CCOCC1 9419384 FZQIGYLLVAARGZ-KAMYIIQDSA-N 357.460 2.683 10 40 FFCB CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)cc1 409000048 MGVJLXBNFULBBW-BOPFTXTBSA-N 367.405 2.584 10 40 FFCB CCOCCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 55531174 WEIFVNUQCHOANT-HUUCEWRRSA-N 352.450 2.872 10 40 FFCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CCCN1CCOCC1 13788131 LGTMUWRUMBOPST-QINSGFPZSA-N 366.483 2.749 10 40 FFCB COC(=O)C1=CN(c2cccc(F)c2)c2ccc(F)cc2S1(=O)=O 64979245 JWTRNEFKFMUHOG-UHFFFAOYSA-N 351.330 2.905 10 40 FFCB CC[C@H](C(=O)OC)N1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 4567618 DEKRNPNOBWXXPT-AUWXEVLLSA-N 351.449 2.848 10 40 FFCB CN1CCN(c2ccc(CNC(=O)Cc3ccccc3Cl)cc2)CC1 225441849 OIRJVEAQOVGBHQ-UHFFFAOYSA-N 357.885 2.951 10 40 FFCB CSc1nc(O)c2[n+](n1)[C@@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 27233004 HFTPLINAFHMTBA-KRWDZBQOSA-O 366.470 2.897 10 40 FFCB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1cc(Cl)ccc1O)C2 19340047 HPIKNFKFPGCKJJ-UHFFFAOYSA-N 368.824 2.749 10 40 FFCB Cc1cc(C2=NN(c3ccccc3)C(=O)/C2=C/c2cn(C)nc2C)n(C)n1 8549336 LWCLTNFLHXFOEW-GZTJUZNOSA-N 360.421 2.605 10 40 FFCB Cc1c(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cccc1[N+](=O)[O-] 6418135 QBJDEMVYCSABAN-UHFFFAOYSA-N 369.333 2.597 10 40 FFCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc2[nH]c(=O)[nH]c2c1 101113871 YOFPDEFRAZRDMB-NTEUORMPSA-N 351.341 2.714 10 40 FFCB Cc1ccc(-n2cccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)c1 408963270 BFAKZRBEPFFLDI-UHFFFAOYSA-N 353.447 2.693 10 40 FFCB COc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1 225775895 WYMIJHNXYXKVSL-UHFFFAOYSA-N 370.522 2.934 10 40 FFCB COc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)cc(OC)c1 48748715 QMABXJBJNFCGCM-UHFFFAOYSA-N 360.429 2.969 10 40 FFCB CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N2CCOCC2)cc1 22664786 LNKOIQZXLNUDNC-HXUWFJFHSA-N 371.456 2.695 10 40 FFCB COc1ccc(N2CCN(CC(=O)Nc3c[nH]c4ccccc34)CC2)cc1 72404816 CLFUGUXYCRTCOL-UHFFFAOYSA-N 364.449 2.937 10 40 FFCB Cn1cccc1/C=C1/C(=O)N=C(O)N(c2ccc(Br)cc2)C1=O 9041688 FGEDDUJAJBHVFZ-LCYFTJDESA-N 374.194 2.658 10 40 FFCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 14066379 ZRZDQRHIKJCTJE-UHFFFAOYSA-N 351.450 2.789 10 40 FFCB Cc1ccccc1-c1nc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2n1 2323211 FMRGGKUQNPVPBV-ATVHPVEESA-N 362.458 2.740 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(O)c1 408885819 BINYLEOPTRHBDT-OQLLNIDSSA-N 366.373 2.684 10 40 FFCB O=C(C[C@H](NCCCO)C(=O)O)Nc1ccc(/N=N\c2ccccc2)cc1 101090842 BSOQQEWSEPKCKX-ANZZGNCFSA-N 370.409 2.856 10 40 FFCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 12552238 BHTOGDAFGYQSPK-UHFFFAOYSA-N 360.844 2.512 10 40 FFCB COc1cc2c(cc1OC)CN(Cc1cc(C=O)cc(OC)c1O)CC2 216833395 KJALISLIGPXDRW-UHFFFAOYSA-N 357.406 2.789 10 40 FFCB COc1ccc2c3c(n(C[C@@H](C)O)c(=O)c2c1OC)-c1ccccc1C3=O 604404077 BQSHECATVSRROK-LLVKDONJSA-N 365.385 2.611 10 40 FFCB biogenic CCN1C(=O)C(=CN[C@H](C)c2cccc(Cl)c2)C(=O)N(CC)C1=S 23641970 SKRXKUNJUAUIIU-LLVKDONJSA-N 365.886 2.870 10 40 FFCB CCCOC(=O)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1809307 DJZAVAVTHWYHDD-WQLSENKSSA-N 366.420 2.749 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1O 408773341 UWHOGABZGNWERK-OQLLNIDSSA-N 366.373 2.684 10 40 FFCB CN(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 7910136 WCZLGFGHEKUHJR-UHFFFAOYSA-N 368.405 2.679 10 40 FFCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 54361119 GKUSJNWWGKUETN-YLHGKKIISA-N 373.459 2.940 10 40 FFCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccc1O 8380029 HWALCFNSDQLWLV-XFXZXTDPSA-N 357.753 2.624 10 40 FFCB CC(C)COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 409046259 JPWGYBIIMLHXNG-UHFFFAOYSA-N 373.261 2.943 10 40 FFCB CN(C)c1ccc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 32109467 KGHXZMOVUXBGCN-XNFARFMYSA-N 367.356 2.934 10 40 FFCB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21 4001667 MHARXAOFYBLXAH-UHFFFAOYSA-N 374.418 2.515 10 40 FFCB aggregator Cc1nccn1CC1(O)CCN(Cc2ccc(N3CCCC3)cc2)CC1 19287973 HRAGXZOHSIUQET-UHFFFAOYSA-N 354.498 2.819 10 40 FFCB C=CCN1C(=O)/C(=C\c2cc(F)c(N3CCCC3)cc2C)C(=O)NC1=S 107780082 SGPSCUHZWAWXDB-UVTDQMKNSA-N 373.453 2.547 10 40 FFCB CCOc1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)cc1OC 26771444 PGEWGMAWJYNRBY-TVNQGELYSA-N 367.448 2.768 10 40 FFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 408849845 ZQYYQYHOSWKRTE-GZTJUZNOSA-N 350.374 2.978 10 40 FFCB Oc1ccccc1CNc1nc2ccccc2n1CCN1CCOCC1 809673 MWDQIYLWDRLJOQ-UHFFFAOYSA-N 352.438 2.686 10 40 FFCB COc1ccc(N2CCCN(C(=O)c3cc(C(C)C)nn3C)CC2)cc1 19452256 RKKIIQUWUSCLDN-UHFFFAOYSA-N 356.470 2.905 10 40 FFCB COc1cc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc(OC)c1O 783634 XNVQAICAHZDMGD-NTUHNPAUSA-N 374.780 2.524 10 40 FFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NC12CC3CC(CC(C3)C1)C2 100437801 DDFFJWCWYZHPDG-ATVHPVEESA-N 365.433 2.712 10 40 FFCB Cc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccc(F)cc1 7984750 CHNZDMDTYWMEJJ-UHFFFAOYSA-N 369.440 2.928 10 40 FFCB Cc1cccc(C(=O)NN2C(=O)/C(=C\c3cccn3C)SC2=S)c1 5552649 VYNNNHGSTONVDV-GXDHUFHOSA-N 357.460 2.880 10 40 FFCB COc1ccc(N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 57548464 JPIOXSLJNORNGJ-UHFFFAOYSA-N 365.477 2.797 10 40 FFCB COc1ccc(N2C(=O)/C(=C\c3cccc(C)c3)C(=O)NC2=S)cc1 408761251 DHWZBEAGELVTCH-WJDWOHSUSA-N 352.415 2.835 10 40 FFCB Cc1cccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)c1 408816751 SFQCKKFWMUTTNM-UHFFFAOYSA-N 370.792 2.977 10 40 FFCB COc1cccc([C@@H](Nc2ncccn2)c2cc3c(cc2O)OCO3)c1O 1586972 CCSRPHARXGJWSH-QGZVFWFLSA-N 367.361 2.827 10 40 FFCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\NCc1ccc(F)cc1 101087859 XZFIBOKAXBDXIF-LGMDPLHJSA-N 371.412 2.768 10 40 FFCB Cc1ccc(N2C(=O)/C(=C/c3cccn3C)C(=O)NC2=S)cc1Cl 409231960 LZCSOQSTIFASCV-MDWZMJQESA-N 359.838 2.818 10 40 FFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(Cl)cn2)C1=O 408529147 HBCVJAXAIMXMCD-JLHYYAGUSA-N 370.796 2.876 10 40 FFCB CC1=CC(C)(C)N(C)c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc21 113812477 MNYAWFWKOGCXPZ-UHFFFAOYSA-N 369.490 2.917 10 40 FFCB Cc1c(Cl)cccc1N/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 408547078 RUJSZZBCUKEBSW-WQLSENKSSA-N 359.769 2.816 10 40 FFCB CCOc1ccc(N2C[C@H](C(=O)N(C)Cc3ccccc3O)CC2=O)cc1 36390829 QHWHTLKUPYYBRH-MRXNPFEDSA-N 368.433 2.802 10 40 FFCB COc1ccc(N2CCCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 52465822 UINDBMZZNDHKHP-YLJYHZDGSA-N 359.514 2.902 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1 59426711 OPFJGYVQUSYGAW-XNTDXEJSSA-N 351.318 2.570 10 40 FFCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S 13690616 GKUSJNWWGKUETN-CZAWJFPGSA-N 373.459 2.940 10 40 FFCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1C 15012816 KTPKOVFUJNUECW-GDNBJRDFSA-N 370.405 2.974 10 40 FFCB Cc1ccc2oc(C(=O)NCc3cc([N+](=O)[O-])ccc3O)cc(=O)c2c1 17906078 BWIDORAFOGWBID-UHFFFAOYSA-N 354.318 2.645 10 40 FFCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)o1 408824172 PXTZFSIZKUHNCN-NTCAYCPXSA-N 369.446 2.957 10 40 FFCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCC(N)=O)S2)cc1 6044380 SMCGILVNRLXPBE-YBEGLDIGSA-N 367.430 2.942 10 40 FFCB CN1C(=O)/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)NC1=S 4616444 HVHBEGLILGMKSR-MHWRWJLKSA-N 370.405 2.661 10 40 FFCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)o1 5867481 WUOIBRIJROKAFA-QINSGFPZSA-N 353.378 2.792 10 40 FFCB CN(C)S(=O)(=O)n1cc(/C=C2\C(=O)Nc3ccccc32)c2ccccc21 13687888 DVQQAKLOVRENLO-WJDWOHSUSA-N 367.430 2.789 10 40 FFCB CN1C(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)N(C)C1=S 408905242 VUSQAJTXAXXEBQ-UHFFFAOYSA-N 359.838 2.729 10 40 FFCB Cc1cccnc1NC(=O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 57088515 DMUKVDNEDVGMDT-UHFFFAOYSA-N 369.421 2.675 10 40 FFCB COc1ccc(-n2nnnc2CNC(=O)Nc2cccc(Cl)c2)cc1 9571343 AEWNWFVMZBFNPQ-UHFFFAOYSA-N 358.789 2.646 10 40 FFCB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(N(C)C)cc1 97963966 DXXXWMPJYWFKLI-SIUCFOQUSA-N 364.409 2.701 10 40 FFCB CCCCC(=O)NN1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S 5236051 QQFYCQYSPJOLRK-JLHYYAGUSA-N 374.491 2.996 10 40 FFCB COc1ccc(N2CCN(NC(=S)Nc3ccc(F)cc3)CC2)cc1 44974849 NYCDMFVOFULBEO-UHFFFAOYSA-N 360.458 2.858 10 40 FFCB O=C1/C(=C/c2cc3ccccc3[nH]c2=O)SC(=S)N1C[C@H]1CCCO1 8767054 IDJUILAYKHPIHS-MLJKTZRHSA-N 372.471 2.908 10 40 FFCB COc1cc([C@H]2CC(c3ccc(O)cc3)=NN2C=O)cc(OC)c1OC 66091611 LHTNTKILZIFPPX-MRXNPFEDSA-N 356.378 2.726 10 40 FFCB CC(C)Cn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 6513144 FECLZQOGTLBRNR-UHFFFAOYSA-N 355.463 2.896 10 40 FFCB O=C1N=C(O)/C(=C/NN2CCCCCC2)C(=O)N1CCc1ccc(F)cc1 6926319 HGKNGDWCFNJPMM-SSZFMOIBSA-N 374.416 2.551 10 40 FFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCC2)c(F)c1 108058637 RHBGPBHNGHMFRI-VBKFSLOCSA-N 351.381 2.887 10 40 FFCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccc(F)cc3)cc2)C1 55339710 LEIOXUNFQPMXKV-HNNXBMFYSA-N 370.428 2.849 10 40 FFCB COc1ccc(N2C[C@](O)(c3ccc(OC)cc3)[N+]3=C2SCCC3)cc1 4176949 ZFQJVQRKLKPQKU-FQEVSTJZSA-N 371.482 2.875 10 40 FFCB O=C1/C(=C\NN2CCCCC2)C(O)=NC(=S)N1c1ccccc1Cl 20024168 CESZYTJBMPBHBR-KHPPLWFESA-N 364.858 2.802 10 40 FFCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)cc1 42666177 GRGCORJBJOLUJU-UHFFFAOYSA-N 364.442 2.654 10 40 FFCB CN1CCCc2cc(CN3CC[C@H](C(=O)Nc4ccccn4)C3)ccc21 72344565 IBSVFBIYPXVLKZ-SFHVURJKSA-N 350.466 2.925 10 40 FFCB O=C1/C(=C/c2ccnc3ccccc23)SC(=S)N1N1CCOCC1 8991324 IBJMSPZZFBKBDT-PTNGSMBKSA-N 357.460 2.683 10 40 FFCB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)c1 408814048 RBADEXFTICPKEB-AUWJEWJLSA-N 373.796 2.714 10 40 FFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3O)C2=O)cc1 408881726 MHMCTVUCNLOCQX-MHWRWJLKSA-N 366.373 2.630 10 40 FFCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC 2773651 NCZMQVYSALFPRC-UVTDQMKNSA-N 368.414 2.535 10 40 FFCB CC[C@@H](C)N1C(=O)/C(=C/Nc2ccc(N(CC)CC)cc2)C(=O)NC1=S 13298037 CDRHGIBNBRZWCX-MLDYKZIASA-N 374.510 2.870 10 40 FFCB N=C1/C(=C/c2ccc(F)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 33721550 CWLMKEFDEKMEQQ-MALKNPNJSA-N 351.366 2.888 10 40 FFCB O=S(=O)(c1ccc(/N=N/c2c(O)cccc2O)cc1)N1CCOCC1 110341828 SCSJIDDOQPWDHJ-ISLYRVAYSA-N 363.395 2.534 10 40 FFCB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(Br)c1O 2282143 JDUWYVKCLZYGDF-GFCCVEGCSA-N 369.215 2.688 10 40 FFCB COc1ccccc1C(=O)NN1C(=O)/C(=C\c2cccn2C)SC1=S 2414606 BIQBDRQWRBNOSR-GXDHUFHOSA-N 373.459 2.580 10 40 FFCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(N(C)C)o2)C1=O 409231113 HLOYMUZGGMHZAB-FMIVXFBMSA-N 373.796 2.974 10 40 FFCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 1437964 NMJGZBDETNIMOZ-SFQUDFHCSA-N 367.405 2.788 10 40 FFCB O=C(O)c1cc(N2C(=O)/C(=C\c3ccncc3)SC2=S)ccc1O 27530453 BPZWBCDGHZNNPL-NTUHNPAUSA-N 358.400 2.891 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1cccc(OCc2ccccc2Cl)c1 59462517 IVUDJLBGJOATFX-UHFFFAOYSA-N 372.833 2.833 10 40 FFCB Cc1ccc(NN/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 408534707 WMERXUSUUOTXHZ-GZTJUZNOSA-N 364.405 2.695 10 40 FFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccccc3O)S2)CC1 4616952 NSABMPBLNKIJAY-PTNGSMBKSA-N 360.435 2.638 10 40 FFCB C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NC(=O)N=C2O)[C@@H](C)C1 15188032 VHLWLNSUOHUUMG-QWRGUYRKSA-N 372.381 2.809 10 40 FFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccc(C)c3)C2=O)cc1 408536996 YSRIXOFYRFAOHU-SFQUDFHCSA-N 365.389 2.973 10 40 FFCB COc1cccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 54178921 BHJZWRUJPMCPCR-SFHVURJKSA-N 353.466 2.687 10 40 FFCB COc1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(N)n3)c2C)cc1 3509822 MHCNWPLITRMTAB-UHFFFAOYSA-N 357.439 2.778 10 40 FFCB Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3)C1=O)OCO2 408986976 UCYWBYWHYZKHHT-RIYZIHGNSA-N 366.398 2.555 10 40 FFCB COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(OC)c1OC 693201 OEKRMADQQCTICU-UHFFFAOYSA-N 362.378 2.856 10 40 FFCB COc1ccc(N2CCN(C(=S)c3ccc(O)c(OC)c3)CC2)cc1 9331360 QUKKITBWJNXEJF-UHFFFAOYSA-N 358.463 2.907 10 40 FFCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2)cc1 4675800 VHPMIWYIJMQSSH-GZTJUZNOSA-N 366.442 2.831 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Cl 409374404 ORBRTNPGOPBGQR-KPKJPENVSA-N 360.753 2.604 10 40 FFCB CC1=CC(C)(C)N(C(C)C)c2ccc(C=C3C(=O)NC(=O)NC3=O)cc21 223481727 AJNOJEPKQZJCJD-UHFFFAOYSA-N 353.422 2.846 10 40 FFCB CC(C)OC[C@H](O)Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 604405442 SUVHXNLAJLOFQS-CQSZACIVSA-N 363.413 2.999 10 40 FFCB biogenic Cc1ccc2c(N)c(C(=O)OCC(=O)c3ccc4c(c3)OCO4)sc2n1 13575251 YBDYOSMMFPFUQW-UHFFFAOYSA-N 370.386 2.955 10 40 FFCB CN1CCN(C2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)CC1 20029089 PWHQXMQJSMBRMC-JLHYYAGUSA-N 366.284 2.667 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(O)cc3)C2=O)c(C)c1 100958883 JNVRVXLIXMRSFF-GDNBJRDFSA-N 351.362 2.588 10 40 FFCB CCN1C(=O)/C(=C/c2cc(C)n(C[C@H]3CCCO3)c2C)C(O)=NC1=S 59109195 XJAJGSQZIBYADN-UWZYDCLUSA-N 361.467 2.771 10 40 FFCB CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 36624907 HQOIGFIDXXFQHP-UHFFFAOYSA-N 359.514 2.996 10 40 FFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1O 408915825 ZRCBXDCDQKUGEJ-RIYZIHGNSA-N 370.336 2.596 10 40 FFCB CN1CCN(Cc2c(O)ccc3cc(-c4ccccc4)c(=O)oc23)CC1 20605063 UMLDYCBWHOWWOB-UHFFFAOYSA-N 350.418 2.913 10 40 FFCB aggregator,biogenic O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccn1 5856350 ZHNAKMANOXJMNJ-DHZHZOJOSA-N 361.473 2.983 10 40 FFCB COc1ccc(N2CCN(C(=O)[C@H](OC(C)=O)c3ccccc3)CC2)cc1 4058426 URQGUVRHWAIMNU-HXUWFJFHSA-N 368.433 2.648 10 40 FFCB Cc1ccccc1/C=C1\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C1=O 4356751 LIQICRUPUCEYTG-LCFDYFRESA-N 365.432 2.514 10 40 FFCB CCn1c(SCC(=O)Nc2ccc(N)cc2)nnc1-c1ccncc1 4170862 FUUBNXKKDOEKRE-UHFFFAOYSA-N 354.439 2.673 10 40 FFCB CN(C)c1ccc(CNC(=O)c2ccc3nc4ccccc4c(=O)n3c2)cc1 57477728 UJTVOCHPAYSKIC-UHFFFAOYSA-N 372.428 2.844 10 40 FFCB CC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408535732 OPDKFEMFCKPHFM-WJDWOHSUSA-N 364.357 2.587 10 40 FFCB CN(Cc1ccccc1Cl)C(=O)c1cc(NS(C)(=O)=O)ccc1O 55106279 JWSWJHHOQZZVJZ-UHFFFAOYSA-N 368.842 2.689 10 40 FFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C)o3)C2=O)cc1Cl 13553147 LBYUCIIFFSUIFY-XYOKQWHBSA-N 360.753 2.916 10 40 FFCB COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(OC)c1 5097805 KMBKCGBAXNSFAX-IBGZPJMESA-N 371.481 2.803 10 40 FFCB COC(=O)[C@H](Sc1ccc(Cl)cc1)[C@@H]1SC(=S)N(C)C1=O 1567376 BCVTVHRACQUNHO-VHSXEESVSA-N 361.897 2.832 10 40 FFCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 9331150 HZKKVFCRJOHYHF-ZROIWOOFSA-N 370.336 2.509 10 40 FFCB Oc1cc2c(cc1CN1CCC[C@@H](c3nnc4n3CCCCC4)C1)OCO2 12884547 HJKMMSQKYDFAGJ-CQSZACIVSA-N 370.453 2.818 10 40 FFCB CC(=O)N1[C@H](c2ccccc2O)SC[C@H]1C(=O)NCc1ccc(C)cc1 4699325 PIISJDXTMDICLB-PXNSSMCTSA-N 370.474 2.980 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(N(C)C)cc1 9322769 QUQBEKPNXBXKCL-UHFFFAOYSA-N 353.466 2.861 10 40 FFCB CC(=O)Nc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 48748742 NKGQYLFXFYRDIP-UHFFFAOYSA-N 357.429 2.911 10 40 FFCB COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1OC 5097808 RUQBGDYMXLEGSK-GOSISDBHSA-N 371.481 2.803 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)Cn1c(=O)oc2ccccc21 7317499 UXKXMMKCTMUQBX-UHFFFAOYSA-N 353.422 2.521 10 40 FFCB O=C(/C=C/c1nc2ccccc2o1)NCc1ccc(N2CCOCC2)cc1 56199128 GOQDHIRQIKWKDU-MDZDMXLPSA-N 363.417 2.994 10 40 FFCB CCOC(=O)c1c(N)oc2c1c(CN1CCOCC1)c(O)c1ccccc12 16739844 NSTIXZMOUNTILY-UHFFFAOYSA-N 370.405 2.883 10 40 FFCB Cc1ccnc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)c1 409132944 PMMQUTLHFVBCMH-RIYZIHGNSA-N 371.418 2.918 10 40 FFCB CCOc1ccccc1C(=O)NCN1CCN(c2ccc(OC)cc2)CC1 15084123 KSRDZVOIAXFQFH-UHFFFAOYSA-N 369.465 2.603 10 40 FFCB COc1ccc(N2CCN(C[C@H](O)COc3cccc(C)c3)CC2)cc1 23230561 PCYHASPWAOAJLJ-IBGZPJMESA-N 356.466 2.566 10 40 FFCB CC1=NN(C(=O)c2ccccc2O)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1 100643946 YRXXQRFUEXMUAQ-MJWGMMHASA-N 367.321 2.811 10 40 FFCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCC 96193714 KYBYMZCJTQJNTP-UHFFFAOYSA-N 366.801 2.571 10 40 FFCB COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1OC 5097809 RUQBGDYMXLEGSK-SFHVURJKSA-N 371.481 2.803 10 40 FFCB O=S(=O)(Nc1ncccn1)c1ccc(/N=N\c2ncccc2O)cc1 104124434 UWZSTZGRKIQCGC-VXPUYCOJSA-N 356.367 2.793 10 40 FFCB CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 100807865 IETVLFYBRBRYJY-XNTDXEJSSA-N 351.318 2.742 10 40 FFCB CCCN1C(=O)/C(=C\Nc2ccc(Cn3cncn3)cc2)SC1=S 9423732 JSIIQIBIBXEDHS-RIYZIHGNSA-N 359.480 2.850 10 40 FFCB O=C(NN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S)c1ccccc1 33286012 GMRPUDKLBOTNPQ-NTEUORMPSA-N 372.427 2.644 10 40 FFCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3O)C2=O)cc1 408900811 VHOJCVOQJIICTD-VBKFSLOCSA-N 366.373 2.847 10 40 FFCB Cn1cccc1/C=C1\SC(=S)N(c2ccc(C(=O)O)c(O)c2)C1=O 35648283 IUMZCEWOKOJTCS-JYRVWZFOSA-N 360.416 2.835 10 40 FFCB Cc1c(C)c2ccc(O)c(CN3CCN(c4ccccn4)CC3)c2oc1=O 79496980 CWCNPDZWZYLCCZ-UHFFFAOYSA-N 365.433 2.833 10 40 FFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 4704566 ZCEZOKTUDFHIGD-UKTHLTGXSA-N 372.764 2.721 10 40 FFCB Cc1ccc(CNC(=O)C2CCN(Cc3ccc(O)c(O)c3)CC2)cc1 199402653 FTFDJPMVKITWGI-UHFFFAOYSA-N 354.450 2.935 10 40 FFCB CC[C@H](C(=O)OC)N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 1011324 DEKRNPNOBWXXPT-FNWMBBJUSA-N 351.449 2.848 10 40 FFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 408883984 SAVNJBOVHAHPPJ-LFIBNONCSA-N 350.374 2.978 10 40 FFCB O=C(O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S 33542929 VPQMKGZIPJDHGW-LCYFTJDESA-N 365.432 2.524 10 40 FFCB COc1ccc2ccc(O)c(CN3Cc4ccccc4C[C@@H]3C(N)=O)c2c1 32724520 PEAJOKAJZAOPPC-HXUWFJFHSA-N 362.429 2.966 10 40 FFCB C[C@@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C 3847020 QCXLEHMVJULREB-VTXLXBFVSA-N 362.422 2.749 10 40 FFCB COC(=O)c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1 27527774 WZHHIFNTYWHAOZ-GDNBJRDFSA-N 356.765 2.588 10 40 FFCB O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccccc2O)SC1=S 5214113 YUVCOSWLQXJCLP-PTNGSMBKSA-N 370.455 2.867 10 40 FFCB O=c1cc(CN2CCN(c3ccccc3)CC2)c2ccc(O)c(O)c2o1 54147573 CELBURDFNXLJDX-UHFFFAOYSA-N 352.390 2.526 10 40 FFCB biogenic COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccncc2)SC1=S 8625528 JPTIKSOVRVPFDW-UVTDQMKNSA-N 371.443 2.636 10 40 FFCB COc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)NCCC(=O)O 217338478 HJBQEDUSARSMSJ-VHEBQXMUSA-N 363.395 2.864 10 40 FFCB CCOC(=O)c1ccc(N2NC(=O)/C(=C\C=C\c3ccccc3)C2=O)cc1 1032070 OMJGKDXPHGDPBT-XICJKMHVSA-N 362.385 2.881 10 40 FFCB CSC1=S=C(c2ccccc2)c2nc(=O)c(-c3ccccc3)nn21 334157682 GVVWPTCEDORDDC-UHFFFAOYSA-N 351.456 2.919 10 40 FFCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc([N+](=O)[O-])c1 47322903 PUSDRQBYLFSLSO-UHFFFAOYSA-N 374.372 2.892 10 40 FFCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OC)cc1 59435625 ISJZDGCNKPTWCD-FEEIMYBTSA-N 357.406 2.547 10 40 FFCB C[C@@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)N1CCOCC1 69919122 APFPNDBYIXYINA-KRWDZBQOSA-N 359.514 2.792 10 40 FFCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(C)C3=O)c2C)c1 409188325 GPBSGWWQMVEHEQ-CXUHLZMHSA-N 367.405 2.712 10 40 FFCB CC1CCN(c2ccc([C@@H](C)NC(=O)C(C)(C)n3cnnn3)cc2)CC1 19714380 PAFGEAYNTZXVDE-OAHLLOKOSA-N 356.474 2.522 10 40 FFCB Cn1cc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)c2ccccc21 12492122 ZRUQOSUAFXQQHG-GDNBJRDFSA-N 359.476 2.627 10 40 FFCB COc1ccc(N2CCN(C[C@H](O)COC[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 101244265 SMNLDUGZCAETHA-XCJLJZCSSA-N 374.525 2.631 10 40 FFCB COC(=O)c1ccccc1/C=C1\C(=O)NN(c2ccc(C)c(C)c2)C1=O 59475163 FAXIBLLLAPXVGG-GZTJUZNOSA-N 350.374 2.551 10 40 FFCB COc1ccc(N2CCN(C(=O)Cc3sc(S)nc3C)CC2)cc1 53494755 FJHRALBSSJIJNR-UHFFFAOYSA-N 363.508 2.640 10 40 FFCB CCOC(=O)c1cnn2c(O)cc(CN(C)[C@@H](C)c3ccc(F)cc3)nc12 47279867 BIYSUZMRKMQZMC-LBPRGKRZSA-N 372.400 2.944 10 40 FFCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCC3CCCC3)cc2)C1 48374275 VHKJPOHHEBUVCX-SFHVURJKSA-N 357.498 2.975 10 40 FFCB Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1N1CCCC1 6275789 CLWMEIREWRBWRV-NTEUORMPSA-N 362.476 2.881 10 40 FFCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 5137412 DZRKLZVYCUHLEK-GIVPXCGWSA-N 359.514 2.686 10 40 FFCB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/N1CCCc2ccccc21 31867283 MNFWQASJLJPACM-SAPNQHFASA-N 361.401 2.602 10 40 FFCB COc1ccc(N(CC(=O)c2cccn2C)CC(=O)c2cccn2C)cc1 32830940 JMFKCHXYOJQHMH-UHFFFAOYSA-N 365.433 2.944 10 40 FFCB CCS(CC)=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 13774014 QIFOGFJYGQCRFE-UHFFFAOYSA-N 360.357 2.769 10 40 FFCB CN(C)c1ccc(/C=C2\C(=O)NC(=S)N2C(=O)c2ccc(F)cc2)cc1 1273564 VMZMYBYLYSCORL-LFIBNONCSA-N 369.421 2.790 10 40 FFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 5552658 DLHARXKLTXLORI-GXDHUFHOSA-N 373.459 2.580 10 40 FFCB O=C1N=C(O)/C(=C/c2ccc(O)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 16400294 DLYFSGGFGCYNOI-ZROIWOOFSA-N 353.290 2.807 10 40 FFCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccnc1 8643030 NWSQILQPTPQSFA-GHXNOFRVSA-N 361.473 2.983 10 40 FFCB O[C@]1(c2ccc3c(c2)OCCO3)CN(c2ccccc2)C2=[N+]1CCCS2 3251964 ZANKEDHIBXGUSN-FQEVSTJZSA-N 369.466 2.629 10 40 FFCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)NC(=O)NC3=O)cc21 113778577 VBVPLXBDLPBNIU-VIFPVBQESA-N 361.829 2.811 10 40 FFCB C[C@H]1CCC[C@@H](N/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@@H]1C 2453664 XJMUZMBWWFXJKP-KXDHLYFOSA-N 355.438 2.563 10 40 FFCB CCN1C[C@H](CN(C)Cc2cc3c(cc2O)OCO3)Oc2ccccc21 12544076 FSAVMLJEGKNAHO-HNNXBMFYSA-N 356.422 2.840 10 40 FFCB COc1cccc([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)c1OC 28617173 PKUPFNJHQHKECO-LJQANCHMSA-N 373.405 2.560 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2cccc(F)c2)c(Cl)c1 408880956 KUMBWMZXJBAPAC-UHFFFAOYSA-N 374.824 2.984 10 40 FFCB Cc1cc(C(=O)CSc2ncn[nH]2)c(C)n1-c1ccc2c(c1)OCCO2 5931853 GYCGLBBLEAWHOC-UHFFFAOYSA-N 370.434 2.958 10 40 FFCB O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2ccccc2CN1Cc1ccccc1O 199406531 GLAVRJNQSPRFTD-PMACEKPBSA-N 366.461 2.614 10 40 FFCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 54361123 AWKKQSFMYOIDDM-LVOZBFFPSA-N 373.459 2.940 10 40 FFCB CNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 11647773 HOFBLFBGOXZQBM-UHFFFAOYSA-N 370.434 2.739 10 40 FFCB COc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)NC(=O)NC3=O)c2c1 408775439 QADTYCHCCWXEAT-UHFFFAOYSA-N 361.357 2.593 10 40 FFCB COc1ccc(OC)c(N2C[C@@](O)(c3ccccc3)[N+]3=C2SCCC3)c1 13524460 KHUULORLABYCOR-HXUWFJFHSA-N 371.482 2.875 10 40 FFCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)c1 208467584 YKUNVYHEPNWSJO-LICLKQGHSA-N 367.405 2.707 10 40 FFCB CCN1C(=O)/C(=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)C(O)=NC1=S 59109194 XJAJGSQZIBYADN-AHSSXEFNSA-N 361.467 2.771 10 40 FFCB CN(C)c1ccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 8172364 HXEBWKKTCCCUFI-UHFFFAOYSA-N 351.450 2.738 10 40 FFCB COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 1067001 ILWFAGQJQUWENB-JLHYYAGUSA-N 370.336 2.509 10 40 FFCB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(N(C)C)cc1 97963965 DXXXWMPJYWFKLI-BFQBXFRASA-N 364.409 2.701 10 40 FFCB CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 113969678 BQAAHWVEILZROV-HXUWFJFHSA-N 354.450 2.997 10 40 FFCB CC(C)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33667344 VRXJCSXIRQDZOC-WJDWOHSUSA-N 367.361 2.843 10 40 FFCB COc1ccc(N2CCN(C(=O)c3cnc(C4CC4)nc3C)CC2)cc1 222567219 JRSKJOPTEJTVRO-UHFFFAOYSA-N 352.438 2.633 10 40 FFCB Cc1cc(C(=O)Nc2cnn(C)c2)c(C)n1-c1ccc2c(c1)OCCO2 25309776 MZLNKBKQIUVQJJ-UHFFFAOYSA-N 352.394 2.851 10 40 FFCB COc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C)c2C)cc1 3509895 KBDIOQHOIJRWTN-UHFFFAOYSA-N 357.439 2.601 10 40 FFCB CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408877535 SCMKOQMOLALSKZ-KAMYIIQDSA-N 354.337 2.891 10 40 FFCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc1 2280212 NYOVVPQEUCYLSQ-XYOKQWHBSA-N 357.278 2.703 10 40 FFCB O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccncc1 13122593 LVHBCOYAXHVCRP-LFXCGDNUSA-N 357.416 2.777 10 40 FFCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 409394476 AWJWVKSVIWQPPM-LGMDPLHJSA-N 364.405 2.594 10 40 FFCB C[C@@H]1Cc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)ccc2O1 408710808 MHLWGMIBZNGIKH-HPUUJOOBSA-N 366.348 2.816 10 40 FFCB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2c(C)cccc2C)C1=O 408530165 LLKSMNWANHPJMY-SDNWHVSQSA-N 365.389 2.891 10 40 FFCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC 33657850 NOPQFULJQGLESO-ZROIWOOFSA-N 358.781 2.819 10 40 FFCB CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)[C@H]1SC(=S)NC1=O 102944286 YRBVWJLJJHQCID-CQSZACIVSA-N 364.492 2.958 10 40 FFCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1O 4704467 HQHLNRKLQBYIGE-MDWZMJQESA-N 372.764 2.721 10 40 FFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(C)c2C)C1=O 409241540 OGKCOZRNTXZCPU-RVDMUPIBSA-N 367.405 2.707 10 40 FFCB CCOC(=O)c1c2c(n3ccccc13)C(=O)c1cccc([N+](=O)[O-])c1C2=O 5953194 URYRSMRLOHYONV-UHFFFAOYSA-N 364.313 2.800 10 40 FFCB CN1CCCc2cc(/C=C/C(=O)OCC(=O)c3ccc(O)cc3O)ccc21 64183528 FORGAJAZGPTUML-WEVVVXLNSA-N 367.401 2.920 10 40 FFCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1C 14011144 MKMDDHUNZXKJQT-WJDWOHSUSA-N 350.374 2.978 10 40 FFCB Cc1c(CC(=O)NCCc2cccc(F)c2)c(=O)oc2c(O)c(O)ccc12 5351212 SOEHPBDHHRUZRN-UHFFFAOYSA-N 371.364 2.553 10 40 FFCB COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1 408917841 BUYJDEHJBPHMOG-GDNBJRDFSA-N 356.378 2.666 10 40 FFCB O=C1NC(=S)S/C1=C/c1ccc(/C=C2/SC(=S)NC2=O)cc1 6511938 GGXMXFQFHMQABK-NXZHAISVSA-N 364.498 2.664 10 40 FFCB COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC 12608336 QCBOIPRDACNLGK-UHFFFAOYSA-N 370.449 2.813 10 40 FFCB Cc1cc2c(cc1C=C1C(=O)NC(=S)NC1=O)[C@H](C)CC(C)(C)N2C 113774417 ZZJZEPGLFWQDHU-LLVKDONJSA-N 357.479 2.631 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 408799711 HTPDWPCXMYLAFR-LFIBNONCSA-N 350.374 2.978 10 40 FFCB O=C(O)c1cc(N=Nc2cc(C(=O)O)cc(C(=O)O)c2)cc(C(=O)O)c1 602985565 MXBBZODCMBYDCL-UHFFFAOYSA-N 358.262 2.895 10 40 FFCB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccc(F)cc1 13228289 XBQRKTBFTRNHQX-LCYFTJDESA-N 359.407 2.767 10 40 FFCB COC(=O)C(C)(C)NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 42055139 VBJVBIIUIDIZKQ-UHFFFAOYSA-N 372.421 2.547 10 40 FFCB CCn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 6568657 JUCAUUAGRBGYPZ-MHWRWJLKSA-N 363.373 2.916 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)OCO2 10906940 LNUWRHSEHDXPRP-UHFFFAOYSA-N 354.406 2.524 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1ccccc1 17115870 QKSVOHPCHRLLLZ-UHFFFAOYSA-N 353.466 2.907 10 40 FFCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(C)(=O)=O)cc1 97963936 CYHVMRXVVMYOOD-RUNIHZNKSA-N 356.407 2.965 10 40 FFCB CC(=O)N1[C@@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1ccccc1O 3174014 AACCKDAMLRSSOM-VQIMIIECSA-N 350.374 2.821 10 40 FFCB Cc1cnc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)o1 57434702 VZTHUXNYDXVJGT-GHXNOFRVSA-N 359.432 2.823 10 40 FFCB CN1C(=O)C(=Cc2csc(-c3ccc(Cl)cc3)n2)C(=O)N(C)C1=O 12914904 VDNPBWJJXMBSPI-UHFFFAOYSA-N 361.810 2.897 10 40 FFCB COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1 39429335 ROVRJVOHFLXINQ-UHFFFAOYSA-N 365.433 2.542 10 40 FFCB COc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1OC 26686909 OGLXPHHKRQZXID-HELSFGJNSA-N 362.451 2.783 10 40 FFCB CN(C)c1ccc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CO3)cc1 96221640 RMHOOIAYIIWCRS-SFHVURJKSA-N 367.497 2.778 10 40 FFCB COc1ccc(/C=C2\C(=O)N(C(=O)c3ccccc3O)N=C2C)cc1OC 13780829 MVLPVVYJOQLEQH-GDNBJRDFSA-N 366.373 2.851 10 40 FFCB COc1ncccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 47036282 UOJQMMANIVXSTK-UHFFFAOYSA-N 358.467 2.965 10 40 FFCB COCCN1C(=O)/C(=C/c2cccs2)C(=O)N(c2ccccc2)C1=O 409020494 PVLRGFRCKHHGMC-QINSGFPZSA-N 356.403 2.773 10 40 FFCB COc1ccc(N2CCN(CC(=O)c3cc(OC)ccc3OC)CC2)cc1 67206132 YBSCRJAEPCUFQO-UHFFFAOYSA-N 370.449 2.717 10 40 FFCB O=C(NCc1ccccc1O)c1nnn(-c2ccc(F)cc2)c1C1CC1 89813973 KGSQMMLVNKXZOD-UHFFFAOYSA-N 352.369 2.919 10 40 FFCB Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccccc1F 42663991 CTWUFSIJAHNJRJ-GOSISDBHSA-N 364.442 2.540 10 40 FFCB CN1CCCc2cc([C@H](CNC(=O)C(C)(C)C)N3CCOCC3)ccc21 22734603 CRNHGTBXIZZTIE-IBGZPJMESA-N 359.514 2.605 10 40 FFCB COCCn1cc(NC(=O)/C=C/c2ccc3c(c2)CCCN3C)ccc1=O 61138563 VHDDCKWZMBRWBT-RMKNXTFCSA-N 367.449 2.529 10 40 FFCB NS(=O)(=O)c1ccc(/N=N\[C@@H]2Sc3nc4ccccc4n3C2=O)cc1 100389670 GWESPXKLHYXRDQ-LTFJSZEESA-N 373.419 2.540 10 40 FFCB COc1ccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 12534722 GDHWZZAZXOCODL-UHFFFAOYSA-N 354.450 2.733 10 40 FFCB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(O)cc4)ccc1c23 1926199 QNQHWJNSRBTXMC-UHFFFAOYSA-N 354.387 2.936 10 40 FFCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O[C@H](C)C(N)=O)c1C 4500161 BDKHPKPMZSYBEQ-LLVKDONJSA-N 350.802 2.787 10 40 FFCB COc1ccc(/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1OC 5898424 OGLXPHHKRQZXID-YWOAEBAUSA-N 362.451 2.783 10 40 FFCB CCc1ccc(N2C(=O)/C(=C/c3cccn3CC)C(=O)NC2=S)cc1 409372155 YFGZMZDAMPCTGV-FOWTUZBSSA-N 353.447 2.902 10 40 FFCB O=S(=O)(Nc1ncccn1)c1ccc(/N=N/c2ccc(O)nc2)cc1 16951632 ZMHUMEVUWLVXSZ-FMQUCBEESA-N 356.367 2.793 10 40 FFCB CN(C)c1ccc(/C=C/C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 40057743 JAWAHVGZRZPIEV-VMPITWQZSA-N 367.449 2.780 10 40 FFCB O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 1218910 DANYWFZKJMPHKM-WZUFQYTHSA-N 360.728 2.669 10 40 FFCB O=C(O)CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S 409099124 SEQRJRZQZNMUBA-SDNWHVSQSA-N 362.476 2.963 10 40 FFCB Cc1ccc(-c2nnc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n23)cc1 12462096 NWNWWBNTPGHWND-SFQUDFHCSA-N 362.458 2.740 10 40 FFCB CN(C)c1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 33373173 ADTNETPFOBLKCF-JLHYYAGUSA-N 350.465 2.819 10 40 FFCB CC(=O)Nc1ccc(C(=O)N2N=C(C)/C(=C/c3ccc(O)cc3)C2=O)cc1 17218499 WKWZFIXERCCQLF-WQRHYEAKSA-N 363.373 2.793 10 40 FFCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)c1 13899293 UEIQGLGPUCOYPS-YVLHZVERSA-N 351.406 2.803 10 40 FFCB CCN(CC)c1ccc(CN2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)c(OC)c1 19526494 JOODDRYUFZBHMY-INIZCTEOSA-N 370.497 2.923 10 40 FFCB COCCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 6735231 NFOBRFFUGVGHQL-ZROIWOOFSA-N 353.465 2.942 10 40 FFCB C[C@H](N/C=C1/C(=O)NC(=S)N(Cc2ccccc2)C1=O)c1ccccc1 2605187 YURXDWHNRYVBAV-VMOJBDSFSA-N 365.458 2.665 10 40 FFCB C[C@H]1CCc2c(sc(NS(=O)(=O)c3ccccc3F)c2C(N)=O)C1 7409940 KEHYOGYDHSYKHN-VIFPVBQESA-N 368.455 2.912 10 40 FFCB CCCN1C(=O)/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S 409359521 OWENWKRKJLQYMX-LFYBBSHMSA-N 352.393 2.935 10 40 FFCB COc1ccc(S(=O)(=O)Nc2nc(-c3csc(N)n3)cs2)cc1 5582536 SHMDOFMZVQIKGF-UHFFFAOYSA-N 368.465 2.658 10 40 FFCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccn1 100423572 JOCGEBHOJVMTAG-PDGQHHTCSA-N 368.368 2.873 10 40 FFCB Cc1ccc(/N=N\c2cc(C)ccc2N[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)cc1 4959821 YFPIVGOSXSIEFG-SININZAESA-N 371.437 2.958 10 40 FFCB CCc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 408956834 YQWXPNXROJYKDE-OQLLNIDSSA-N 364.357 2.644 10 40 FFCB COc1ccc(OC)c(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)c1 16215205 YBRMJTJIGXFSLG-GDNBJRDFSA-N 358.781 2.819 10 40 FFCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 1831076 FLFCFEDTFZSJEA-JYVXZMADSA-N 367.448 2.768 10 40 FFCB CC(C)c1ccc(N2C(=O)/C(=C\NN3CCCCC3)C(=O)N=C2S)cc1 6782276 YTMFVBROUBYZAW-VBKFSLOCSA-N 372.494 2.843 10 40 FFCB N=C1/C(=C/c2ccc(O)c(O)c2)C(=O)N=C2SC(c3cccs3)=NN12 9553786 QVIGYEJHHWPSKH-CZZAULRRSA-N 370.415 2.827 10 40 FFCB CC(C)COc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl 409046374 KHGBHMZHVFPLBL-UHFFFAOYSA-N 357.193 2.778 10 40 FFCB CN(C)c1ccc(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 8171203 GVUJTPDAOQLUPF-QGZVFWFLSA-N 355.463 2.872 10 40 FFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Br)o1 1200607 YZWWFVUKFLWWDL-DHZHZOJOSA-N 361.151 2.709 10 40 FFCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1O 15015220 BZFDBHCAHWUIQI-ZEVOCZHWSA-N 351.449 2.781 10 40 FFCB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C 409013586 BPXHAKYTYZFUDU-COOUDCDJSA-N 357.406 2.944 10 40 FFCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2cccn2C)SC1=S 2414607 BIQBDRQWRBNOSR-UVTDQMKNSA-N 373.459 2.580 10 40 FFCB CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)cc1 4677152 SOTODIXMOBWQRC-ATVHPVEESA-N 364.405 2.594 10 40 FFCB CC(=O)c1ccc(N2C(=O)C/C(=C3/C(=O)N(C)c4ccccc43)C2=O)cc1 9531062 HBQBJFFDRCJBNO-MNDPQUGUSA-N 360.369 2.583 10 40 FFCB COc1ccc(N2CCC[C@@]3(CN(Cc4ccncc4)CCO3)C2)cc1 96226315 SOQZGVAUJWEUJJ-OAQYLSRUSA-N 353.466 2.962 10 40 FFCB CC(C)CCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10435034 NTFFROFRCBNECW-UHFFFAOYSA-N 357.431 2.786 10 40 FFCB Cc1ccc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1 408798373 DUCKKRHCSGTOFP-UHFFFAOYSA-N 370.792 2.977 10 40 FFCB COc1ccc(N(CCC(N)=O)Cc2nnc(-c3ccccc3)o2)cc1 8707959 MJFZWRLMERDMIW-UHFFFAOYSA-N 352.394 2.627 10 40 FFCB O=C1CO[C@@]2(CCCN(Cc3ccccc3O)C2)CN1c1ccc(F)cc1 2037978037 MCIFWZUBSUMXMY-OAQYLSRUSA-N 370.424 2.929 10 40 FFCB O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1 10113624 LNTIZCKLTFBSRC-UHFFFAOYSA-N 361.423 2.674 10 40 FFCB C[C@@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)S(C)(=O)=O 58203395 RSMAIZRFAXIZTC-AWEZNQCLSA-N 352.500 2.505 10 40 FFCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)cc1 13785873 WDERBXXNDGJEIE-MHWRWJLKSA-N 369.446 2.616 10 40 FFCB CC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@@H]1c1ccccc1O 3174021 AACCKDAMLRSSOM-LPHOPBHVSA-N 350.374 2.821 10 40 FFCB Cc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c(C)n1-c1ccccc1 9010313 YETZHKJFQFHIOR-HJWRWDBZSA-N 352.350 2.962 10 40 FFCB O=C1/C(=C/NNc2ccccc2)C(O)=NC(=S)N1Cc1ccc(F)cc1 5047011 FJXYIPWPMYEDLZ-XNTDXEJSSA-N 370.409 2.910 10 40 FFCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)NC2=S)c1 409226917 NWOORUGVNXOKNC-GXDHUFHOSA-N 369.446 2.794 10 40 FFCB C[C@@H](NC(=O)c1ccc2c(c1)ncn2C)c1ccc(N2CCOCC2)cc1 19718644 SLFWMVLFFAMYAB-OAHLLOKOSA-N 364.449 2.901 10 40 FFCB O=C1N=C(O)/C(=C\c2ccc(O)c(O)c2)C(=O)N1CCc1ccc(F)cc1 8994716 ZAHGQXYTIOCLBK-NTEUORMPSA-N 370.336 2.782 10 40 FFCB CCN1C(=O)C(=CNc2ccc(N(CC)CC)cc2)C(=O)N(CC)C1=S 5679217 XYIZPLWNLUSLKH-UHFFFAOYSA-N 374.510 2.824 10 40 FFCB CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 42117912 YAMIULILAHKGSH-GOSISDBHSA-N 364.445 2.892 10 40 FFCB CN(c1ccc(CNC(=O)N2CCC(C(N)=O)CC2)cc1)C1CCCCC1 58268278 DMJBWQIZPCWRQM-UHFFFAOYSA-N 372.513 2.862 10 40 FFCB CCCCCCN1C(=O)NC(=O)/C(=C\Nc2ccc(NC(C)=O)cc2)C1=O 100788664 PXSDBWCSOBGWIR-FOWTUZBSSA-N 372.425 2.600 10 40 FFCB Oc1cc2c(cc1CN1CCC(c3nnc4ccccn34)CC1)OCO2 14121043 FNEMJGDICVVZGN-UHFFFAOYSA-N 352.394 2.543 10 40 FFCB O=C1CCCN1c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1 15580755 WNXZMPSONHAPLI-UHFFFAOYSA-N 365.477 2.940 10 40 FFCB CC1=NN(C(=O)c2ccccc2O)C(=O)[C@@H]1/N=N\c1ccc([N+](=O)[O-])cc1 100643942 YRXXQRFUEXMUAQ-RAJOGRCSSA-N 367.321 2.811 10 40 FFCB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)c1 2277093 SAXIHYRQBAZXDF-VWQNNZLTSA-N 368.345 2.519 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2[nH]cnc2c1 10907063 YQCDTKQFKNHPHW-UHFFFAOYSA-N 350.422 2.672 10 40 FFCB O=C1/C(=C\c2ccsc2)SC(=S)N1CCCN1CCOCC1 96930800 URPJSMAFXSOHRE-JLHYYAGUSA-N 354.522 2.672 10 40 FFCB CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(N2CCOCC2)cc1 40105765 OKTMCEAZSDJULZ-UHFFFAOYSA-N 371.437 2.942 10 40 FFCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCCCCC3)cc2)C1 57146745 GNMTVVMVBDWOHC-GOSISDBHSA-N 372.513 2.864 10 40 FFCB CN1C(=O)C(=CN2c3ccccc3CCc3ccccc32)C(=O)N(C)C1=O 12139509 PURSGOGOTGOPGZ-UHFFFAOYSA-N 361.401 2.858 10 40 FFCB CCOc1cc(/C=C2/SC(=S)N([C@H](CC)C(=O)O)C2=O)ccc1O 16890344 ZOTFGTNTTRFCIK-SEEODLKFSA-N 367.448 2.855 10 40 FFCB COc1ccc(OC)c(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1 872456 FJZMYFLAEVLEEO-PEMMUPCOSA-N 358.423 2.979 10 40 FFCB CN(C)c1ccc(CNC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 43874682 UVBKMINSXPGQDN-UHFFFAOYSA-N 352.438 2.967 10 40 FFCB O=C(N(CCc1ccc(O)c(O)c1)Cc1cccc(O)c1)C(F)(F)F 3847228 OLXAXRZXQAYZOP-UHFFFAOYSA-N 355.312 2.937 10 40 FFCB biogenic COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1Cl 223827880 LCIGMNCIQXFIOA-UHFFFAOYSA-N 369.782 2.656 10 40 FFCB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1cc(Cl)ccc1O)C2 19293014 BUUWNXVUNVFINS-UHFFFAOYSA-N 368.824 2.749 10 40 FFCB CC(=O)Nc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1O 32831493 JIUAJTMUKIGKLK-UHFFFAOYSA-N 358.778 2.944 10 40 FFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1O 4797352 FJLJPWRXUMKQGI-XFXZXTDPSA-N 357.753 2.624 10 40 FFCB CC(=O)N1[C@H](c2ccccc2O)SC[C@H]1C(=O)NCc1ccccc1 4699321 GWZCUKQLWFSFPP-LPHOPBHVSA-N 356.447 2.671 10 40 FFCB O=C(Nn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)c1cccnc1 1547138430 LNSMMEGOYOYUPQ-UHFFFAOYSA-N 367.364 2.992 10 40 FFCB biogenic CC(C)(C)CCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 56398639 GIXJWCDKEWECHF-INIZCTEOSA-N 360.502 2.624 10 40 FFCB Cn1cccc1/C=C1\C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 2288587 KDINOYRGBGVXNZ-UKTHLTGXSA-N 363.295 2.710 10 40 FFCB CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(OC)cc3)S2)C1 1440059 HHAYOUAAQBYJRH-VQCBNXJZSA-N 374.462 2.941 10 40 FFCB O=C(c1ccccc1)c1cc(Cl)ccc1NCC(=O)N1CCOCC1 3364910 HXLTYGAMTAEFHX-UHFFFAOYSA-N 358.825 2.842 10 40 FFCB Cc1cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1cccc(F)c1 5701497 NONREZLIVAATGY-UHFFFAOYSA-N 357.385 2.746 10 40 FFCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 1105160 HAOXBLQFOQDQGW-LGMDPLHJSA-N 353.422 2.691 10 40 FFCB COCCNc1cc(N2CCCC2)c(N)c2c1C(=O)c1ccccc1C2=O 6664782 VNBYNKQDVKGGBE-UHFFFAOYSA-N 365.433 2.703 10 40 FFCB COc1ccc(N2CCN(C[C@@H](O)COC[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 101244268 SMNLDUGZCAETHA-ANTGDGSKSA-N 374.525 2.631 10 40 FFCB CCc1ccc(NC(=O)CN(/N=N/c2nonc2C)c2nonc2C)cc1 18167590 AUJVZTKBWFFFNL-PTGBLXJZSA-N 370.373 2.776 10 40 FFCB COC(CN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C)OC 112116306 WYFGROPQBUSABR-GDNBJRDFSA-N 360.439 2.501 10 40 FFCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)c(C)c1 408994864 HJEUWTHUGIIPIG-YBEGLDIGSA-N 351.406 2.803 10 40 FFCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccn3C)SC2=S)cc1 5156268 CAPJZBRXIXDIIY-UVTDQMKNSA-N 357.460 2.880 10 40 FFCB aggregator Cc1cc(O)c(CN2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1C 54470728 WOPMBSGXTKJQBT-CALCHBBNSA-N 360.498 2.857 10 40 FFCB CCn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2cc(C)nn2C)cn1 35678516 BVHMFUHHRUABHF-GZTJUZNOSA-N 360.421 2.779 10 40 FFCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 2399816 DZRKLZVYCUHLEK-JBACZVJFSA-N 359.514 2.686 10 40 FFCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3Cl)C2=O)cc1 9324282 DIJLPGHEYYYGKX-RAXLEYEMSA-N 371.780 2.927 10 40 FFCB CC(C)(C)CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 56398640 GIXJWCDKEWECHF-MRXNPFEDSA-N 360.502 2.624 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1[N+](=O)[O-] 10906761 FTHHRXBBBAJUCJ-UHFFFAOYSA-N 355.394 2.704 10 40 FFCB CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccncc2)C1=O 409395317 METZMTHERNHGAG-UVTDQMKNSA-N 371.780 2.800 10 40 FFCB CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCC(C(N)=O)CC1 2301740 ZHFKLYWIRJJUDV-QURGRASLSA-N 361.377 2.680 10 40 FFCB CN(C)c1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 9096546 NIHBGIBPDSDYQG-UHFFFAOYSA-N 354.483 2.610 10 40 FFCB O=C(NN1C(=O)/C(=C/c2ccccc2F)SC1=S)c1ccncc1 16741215 YSVZISFXTBKGQQ-LCYFTJDESA-N 359.407 2.767 10 40 FFCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cccc(O)c1 5447837 ZAINIGNXUYCTDY-ZROIWOOFSA-N 357.753 2.624 10 40 FFCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(O)cc1 4689414 SXSWMFLWUAEKGM-FMIVXFBMSA-N 358.806 2.877 10 40 FFCB CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1 16735348 NGQRMDHCLHTKLI-VBKFSLOCSA-N 366.446 2.805 10 40 FFCB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cccc2ccccc12 409002956 XMSWILZDXVTZFE-UHFFFAOYSA-N 359.385 2.997 10 40 FFCB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)OC)cc2)SC1=S 409350439 RLSHWBHHIVWSPX-UKTHLTGXSA-N 351.449 2.850 10 40 FFCB Cc1ccc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1 222831366 OSAMDAYQUGXJLD-UHFFFAOYSA-N 367.493 2.750 10 40 FFCB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1ccc(C(C)C)cc1 101639468 NRMFBUPTLSEGSS-MHWRWJLKSA-N 361.409 2.966 10 40 FFCB CN(C)c1ccc(/C=C/C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1 32904601 BYTJUYYQABDPIL-DHZHZOJOSA-N 370.497 2.516 10 40 FFCB O=C(NCc1ccc(N2CCOCC2)cc1)c1c(Cl)nc2ccccn12 54284111 ZQDFCUJDGHBUHE-UHFFFAOYSA-N 370.840 2.754 10 40 FFCB COc1ccc(N2CCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)cc1 57548203 UXFHNHSZCVRFML-KRWDZBQOSA-N 365.477 2.795 10 40 FFCB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C 8776966 GUZFYWMPZQKEQH-UHFFFAOYSA-N 369.465 2.943 10 40 FFCB CC[C@@H](C(=O)OC)N1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 4567617 DEKRNPNOBWXXPT-OQZOHAQUSA-N 351.449 2.848 10 40 FFCB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)c1 6800751 TYLKLODHVGHEQB-UHFFFAOYSA-N 350.465 2.753 10 40 FFCB Cc1ccccc1N1C[C@](O)(c2cccc([N+](=O)[O-])c2)[N+]2=C1SCC2 2966049 CULNJGCBQBBKBF-SFHVURJKSA-N 356.427 2.684 10 40 FFCB OCCN1CCN(CCCNc2c3ccccc3nc3ccccc23)CC1 61997400 RWOHIZRCLKMSKA-UHFFFAOYSA-N 364.493 2.800 10 40 FFCB CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(OC)cc3)S2)C1 1440057 HHAYOUAAQBYJRH-HNDQUVLASA-N 374.462 2.941 10 40 FFCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)SC1=S 27530427 IPBPYGAUIUXUGK-OYGDSYQHSA-N 365.432 2.538 10 40 FFCB O=C(O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409124059 GMQYGHWBRQJUEB-QPEQYQDCSA-N 373.342 2.766 10 40 FFCB COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)c(OC)c1 28617177 NCPFBIXFCFNTIV-HXUWFJFHSA-N 373.405 2.560 10 40 FFCB O=C1/C(=C\c2ccc3ccccc3n2)SC(=S)N1N1CCOCC1 9423163 YCYWOLVDNHYIIZ-RVDMUPIBSA-N 357.460 2.683 10 40 FFCB COc1ccc(N2CCOCC2)c(NC(=O)c2c(OC)cccc2OC)c1 7496740 RWRMJTVGBQOAMY-UHFFFAOYSA-N 372.421 2.801 10 40 FFCB CC(=O)NCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1 58195834 BEYNLCDLWSNSEP-UHFFFAOYSA-N 351.422 2.519 10 40 FFCB COC(CN(C)C1=NC(=O)/C(=C\c2ccc(SC)cc2)S1)OC 12949723 KECOYUIVQBEBHB-UKTHLTGXSA-N 352.481 2.930 10 40 FFCB CCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1CC(=O)OC 17074112 KGQKQBBBOOBMKL-AQTBWJFISA-N 359.426 2.625 10 40 FFCB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N(C)Cc1ccccc1O)(C3)C2 53914661 LYLOVVGEYZSHJM-XBLGPDGASA-N 356.466 2.826 10 40 FFCB Oc1cc2c(cc1CN1CCN(Cc3ccc4c(c3)OCO4)CC1)CCC2 25765650 QBCUQABIPQYTGG-UHFFFAOYSA-N 366.461 2.927 10 40 FFCB CC1CCN(c2ccc([C@H](C)NC(=O)c3cccn4nnnc34)cc2)CC1 19661864 XZWSYUYYPDRZKM-HNNXBMFYSA-N 364.453 2.852 10 40 FFCB COCCOC(=O)c1c2c(n3ccc(C)cc13)C(=O)c1ccccc1C2=O 2694683 UYFWCPNWAOONRG-UHFFFAOYSA-N 363.369 2.826 10 40 FFCB biogenic C[C@@H]1CCC[C@H](N/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@@H]1C 20462960 XJMUZMBWWFXJKP-GPZVUBKGSA-N 355.438 2.563 10 40 FFCB Cc1ccc(NC(=O)C[C@H]2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 9025006 DIVHWSMXKFXKEJ-UONOGXRCSA-N 364.492 2.732 10 40 FFCB CCc1ccc(O)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 83820613 ZWEDIDJVIHJQIV-UHFFFAOYSA-N 372.440 2.985 10 40 FFCB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2F)C1=O 5552652 MVMCYHSVTZJPLT-UKTHLTGXSA-N 361.423 2.710 10 40 FFCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 5478126 JPXWFFXESCCWTD-AAIQCTMTSA-N 367.448 2.855 10 40 FFCB COc1ccc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc1 910353 YUEJIACDPZBZLI-XNTDXEJSSA-N 373.206 2.919 10 40 FFCB COC(=O)Cc1c(C)c2c(O)c(CN3CCCCC3)c(C)cc2oc1=O 9048812 BOYPIXUNOOQJFZ-UHFFFAOYSA-N 359.422 2.817 10 40 FFCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 13424021 HFRUAQJOKOCVMY-HBZGRHIISA-N 373.908 2.728 10 40 FFCB COc1ccc(/N=N/[C@H]2C(=O)N(c3ccccc3)N=C2NC(C)=O)cc1 102159156 QLPZVLGFZOXYTO-FVGNFYTDSA-N 351.366 2.644 10 40 FFCB Cc1cc(O)c(CN2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1C 44757251 KCTOUYDTNBSNJJ-GOSISDBHSA-N 359.514 2.528 10 40 FFCB COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1O 83312893 LAOMUROVLHEIPF-OQLLNIDSSA-N 352.346 2.905 10 40 FFCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S 5371277 NELOBUKJBXEGPQ-GARZTLJTSA-N 367.448 2.942 10 40 FFCB Cc1cccc(NN/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 408534539 VXMJCFNXHLSJEF-LFIBNONCSA-N 364.405 2.695 10 40 FFCB CS(=O)(=O)c1ccc2c(c1)SC1=NC(=O)/C(=C/c3ccco3)C(=N)N12 13477931 BLSTVPWBRJQJEO-GNPCJPGPSA-N 373.415 2.552 10 40 FFCB O=C(NN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)c1ccccc1 15008492 VXMDPBIOPZDOIF-GXDHUFHOSA-N 356.428 2.938 10 40 FFCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(C)C 16406183 WNOGWOAZWBYHAB-UHFFFAOYSA-N 360.410 2.554 10 40 FFCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc(F)cc1F 408533716 OWHSCQVZZVNUHT-SDNWHVSQSA-N 371.343 2.582 10 40 FFCB CCCN1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 409341239 AMSMLZISNDVPQQ-XFFZJAGNSA-N 354.409 2.920 10 40 FFCB COc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(OC)c3)nn2)cc1 216767637 AFGUDYIQBXIGIG-FQEVSTJZSA-N 366.421 2.879 10 40 FFCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCC3CCCC3)cc2)C1 48374276 VHKJPOHHEBUVCX-GOSISDBHSA-N 357.498 2.975 10 40 FFCB COc1ccc(N2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1 6953190 WKANEGGHXSSWDK-UHFFFAOYSA-N 356.422 2.675 10 40 FFCB COc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1OC 48748687 RTOUBSZCJUTHGB-UHFFFAOYSA-N 360.429 2.969 10 40 FFCB CCCN1CCN(C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)CC1 6538719 INPKNZCFWWUNIH-UHFFFAOYSA-N 364.445 2.920 10 40 FFCB C[C@@H]1CCc2c(sc(NS(=O)(=O)c3ccccc3F)c2C(N)=O)C1 7409939 KEHYOGYDHSYKHN-SECBINFHSA-N 368.455 2.912 10 40 FFCB Cc1cc(O)c(CN2CCN(Cc3nnc4n3CCCCC4)CC2)cc1C 32888228 MLBOYPJEJCNAQJ-UHFFFAOYSA-N 369.513 2.645 10 40 FFCB COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1Cl 30324617 RMJREDSAQVOWSV-UHFFFAOYSA-N 354.859 2.893 10 40 FFCB COc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)c(OC)c1 868441 GBPAUZGSYVLQOW-FMIVXFBMSA-N 374.443 2.597 10 40 FFCB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Br)cc1 825398 PIWWUCVAJOIFNR-FMIVXFBMSA-N 353.241 2.752 10 40 FFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 33320016 XPZBTLORZZBCKL-AQTBWJFISA-N 374.356 2.847 10 40 FFCB COc1ccc(C2=NN(CCO)C(=O)/C2=C\c2c[nH]c3ccccc23)cc1 18192201 YQBWOEVXTQIWKI-PDGQHHTCSA-N 361.401 2.799 10 40 FFCB Cc1cc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)ccc1[N+](=O)[O-] 713089 BFGVJCWGIITMOV-UHFFFAOYSA-N 357.347 2.918 10 40 FFCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 6925969 GNQYJQHFXMPDHB-XFFZJAGNSA-N 361.697 2.508 10 40 FFCB Cc1cc(C(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c(C)n1-c1ccccn1 12632631 AFZZMWVANQHFBL-INIZCTEOSA-N 368.437 2.638 10 40 FFCB O=C1N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1 409097206 GAGAUTWNRXLYRS-RGEXLXHISA-N 363.417 2.616 10 40 FFCB CCOC(=O)c1cnn2c(O)cc(CN(Cc3cccs3)C3CC3)nc12 103261383 ZCRJORDXJDLBQT-UHFFFAOYSA-N 372.450 2.838 10 40 FFCB CCOC(=O)CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 4844266 JKTJNKVHYQWIML-MDWZMJQESA-N 365.432 2.570 10 40 FFCB Cc1nc(/C=C/C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1 9975462 OVHXZZASMJZKQO-VMPITWQZSA-N 357.479 2.960 10 40 FFCB C/C(=C1\SC(=S)N(CCS(=O)(=O)O)C1=O)c1ccc(C)c(C)c1 5372372 MLYGCAOYINAIBB-ACCUITESSA-N 371.505 2.783 10 40 FFCB Cc1cc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccccc1 3460715 YALMEEAPLJMRRU-HOTGVXAUSA-N 370.449 2.887 10 40 FFCB Cc1c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] 216926162 NAANPOCPKWTEDB-UHFFFAOYSA-N 368.437 2.585 10 40 FFCB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 7146289 GKQQIAOKZIYAQR-UHFFFAOYSA-N 361.467 2.532 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc12 409391680 JJQABNMMKKNMLK-SFQUDFHCSA-N 373.368 2.910 10 40 FFCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\NNc2ccc(Cl)cc2)C1=O 408536699 XKJBLMCTAPMUFW-GXDHUFHOSA-N 370.796 2.732 10 40 FFCB COCCN1C(=O)/C(=C/c2c(F)cccc2Cl)C(C(=O)OC)=C1C 4957324 MUGINWJANRRXIF-FMIVXFBMSA-N 353.777 2.798 10 40 FFCB CCOc1c(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Cl 59139427 KTTRSUFIJJOXOL-UHFFFAOYSA-N 373.261 2.991 10 40 FFCB C[C@@H]1Oc2ccccc2N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1=O 28643202 OSJZIRJIURWTAV-HNNXBMFYSA-N 367.449 2.525 10 40 FFCB O=C(NN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)c1cccs1 3773556 ORJWJOWYOGHREP-XYOKQWHBSA-N 362.457 3.000 10 40 FFCB COc1ccccc1OCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 12638224 ARMVZTFTIJNKGL-UHFFFAOYSA-N 370.449 2.569 10 40 FFCB CN(Cc1ccc(N(C)C)cc1)C(=O)CCN1C(=O)COc2ccccc21 18150606 ZVJRLAZJYYRUEB-UHFFFAOYSA-N 367.449 2.527 10 40 FFCB Cc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Cl 408547052 HTYSZUCXYPWTBY-JYRVWZFOSA-N 359.769 2.816 10 40 FFCB COc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(C3CC3)C2=O)c1O 36613129 TZSLFQNOCXHONV-WZUFQYTHSA-N 352.393 2.673 10 40 FFCB Cc1ccc(CN2C[C@@H](C(=O)NCc3ccc(N(C)C)cc3)CC2=O)cc1 18214871 VAXSOMQEPGLBLT-IBGZPJMESA-N 365.477 2.726 10 40 FFCB COc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(F)c3)CC2)cc1 57547911 UVWSMHNWPDCPBE-UHFFFAOYSA-N 357.429 2.903 10 40 FFCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@H]1c1cccnc1 84422117 KGMALIMJMMVRRD-ROUUACIJSA-N 369.440 2.602 10 40 FFCB Cn1cccc1/C=C1\SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O 13776894 KJCWFFVOKRNCEF-XFNCEPBJSA-N 372.471 2.922 10 40 FFCB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccccc1C(=O)O 16922812 CLKIKKTZQCVGQM-AWEZNQCLSA-N 370.386 2.982 10 40 FFCB CC(=O)Nc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1C 19079933 DNAXKXIYMNDHEE-UHFFFAOYSA-N 362.436 2.759 10 40 FFCB COc1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 20104769 XUMCXZAXNZDTKC-INIZCTEOSA-N 370.449 2.616 10 40 FFCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c(O)n[nH]c1C 13549005 LIDKFMBAUDNKCB-QPEQYQDCSA-N 361.199 2.992 10 40 FFCB CCn1c(C)cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C 15013506 NMBQDSBOJOMUQE-SXGWCWSVSA-N 355.369 2.930 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NCCC3=CCCCC3)C2=O)cc1 100094233 FDYKHQANRJACNC-GHRIWEEISA-N 353.422 2.942 10 40 FFCB CCOC(=O)N1CCN(Cc2c(O)c(C(=O)OC)cc3ccccc23)CC1 12878509 ALYFUVBPCPVZBW-UHFFFAOYSA-N 372.421 2.606 10 40 FFCB N=C1/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC=NN12 9434899 OVXVEVWURGMHME-NFFPZGGSSA-N 366.358 2.894 10 40 FFCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=S)N=C2O)o1 2807149 RGHPHXNSPKXQNN-UHFFFAOYSA-N 373.346 2.618 10 40 FFCB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc(O)cc1 1744801 WFLZVRDEIRGMPX-WQLSENKSSA-N 362.457 3.000 10 40 FFCB CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c1C 14010980 MNIIMNRNIGAWRY-WJDWOHSUSA-N 351.406 2.748 10 40 FFCB CCOc1c(Br)cc(/C=C2\NC(=S)N(C)C2=O)cc1OC 4525303 PRISDZPWPHQWCF-POHAHGRESA-N 371.256 2.544 10 40 FFCB COc1ccc2c(=O)c(C(=O)N(C)Cc3ccc(N(C)C)cc3)c[nH]c2c1 95351080 CRZOFEZRTNTNBB-UHFFFAOYSA-N 365.433 2.875 10 40 FFCB COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1O 409082606 MRCXLKVELVMNCO-KSSSLANASA-N 351.449 2.781 10 40 FFCB CCCN1C(=O)/C(=C/c2cc(Br)ccc2OC)NC1=S 409082914 UEDLRUHRJMSIBK-FLIBITNWSA-N 355.257 2.925 10 40 FFCB CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=S)NC1=O 409040122 FQAQOFVYJMDVKS-UHFFFAOYSA-N 359.234 2.697 10 40 FFCB Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 98087179 POJUPGPTXVPLDT-SFHVURJKSA-N 367.493 2.831 10 40 FFCB O=C(CN1C(=O)CSC1=S)N1CCS[C@H](c2cccs2)CC1 219518475 ZAAWJXREHFIQDT-NSHDSACASA-N 372.562 2.615 10 40 FFCB CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)NC1=S 6950776 MQEGQLXYASNWPB-POHAHGRESA-N 371.256 2.544 10 40 FFCB CCN(CC)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)cc1 12411729 OFQJZFMRPGLMGF-KRWDZBQOSA-N 370.457 2.760 10 40 FFCB COC(=O)[C@@H](Sc1ccc(Cl)cc1)[C@@H]1SC(=S)N(C)C1=O 1567374 BCVTVHRACQUNHO-UWVGGRQHSA-N 361.897 2.832 10 40 FFCB C[C@@H](NC(=O)c1cccn2nnnc12)c1ccc(N2CCCCC2)cc1 19661957 RXJAWJMGYSGOIZ-CQSZACIVSA-N 350.426 2.606 10 40 FFCB COc1cc2c(cc1OC)CN(Cc1cc3c(cc1O)OCCO3)CC2 8851243 CZTODMLRZAEEGJ-UHFFFAOYSA-N 357.406 2.739 10 40 FFCB Cc1nc(Cc2ccccc2)nc2sc(C(=O)N3CCOCC3)c(O)c12 12321920 ZXQFREYIVCDWCM-UHFFFAOYSA-N 369.446 2.769 10 40 FFCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)NC(=O)NC3=O)cc21 113778575 VBVPLXBDLPBNIU-SECBINFHSA-N 361.829 2.811 10 40 FFCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(N)=O)c12 409148118 XHUNYWBHCKOTIG-ZSOIEALJSA-N 373.503 2.910 10 40 FFCB CCN1C(=O)C(=Cc2cccn2-c2ccc(O)cc2)C(=O)N(CC)C1=S 981524 NRPSZCRYJXVVNC-UHFFFAOYSA-N 369.446 2.562 10 40 FFCB COc1cccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 16134470 WOMSYTPTVRNGBX-UHFFFAOYSA-N 354.450 2.733 10 40 FFCB Cc1cc(C)c(O)c(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1 49581174 LOXDOPGDNVVBED-UHFFFAOYSA-N 366.508 2.577 10 40 FFCB CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1N=Nc1ccccc1 255992209 OILFJMYLWASPJD-OAHLLOKOSA-N 358.379 2.808 10 40 FFCB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408786073 LBGUDPUUHROEQZ-LFIBNONCSA-N 350.374 2.978 10 40 FFCB CCCn1nc(C(=O)N(C)Cc2ccccc2O)c2ccccc2c1=O 53914722 SFQKILXEOACUQC-UHFFFAOYSA-N 351.406 2.784 10 40 FFCB COc1cc2c(cc1OC)[C@]13CCN4CC5=CO[C@H]6CCN2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43 4533047 ODSKQEUFTBWNLH-AXCWKDCTSA-N 366.461 2.541 10 40 FFCB O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C\c1cccnc1 16928407 LROIBNKBYONOHV-PQMHYQBVSA-N 369.358 2.560 10 40 FFCB CCOc1cccc([C@@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)c1O 4172278 XRFPOESYOPYPRP-MRXNPFEDSA-N 359.451 2.694 10 40 FFCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(O)cc3C)C2=O)c1 4797337 JKDCVKBAIRTHIO-GDNBJRDFSA-N 351.362 2.588 10 40 FFCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C)c2C)C(=O)NC1=S 408781966 URMAPSNDPGSYSG-XNTDXEJSSA-N 353.447 2.782 10 40 FFCB COc1cccnc1NC(=S)N[C@@H](C)c1ccc(N2CCOCC2)cc1 225839972 YRMZEAHPXLHWJL-AWEZNQCLSA-N 372.494 2.974 10 40 FFCB CCOc1nonc1/N=N/N(Cc1ccccc1)c1nonc1OCC 16688116 JPYBIKSKEDKHQR-LTGZKZEYSA-N 359.346 2.956 10 40 FFCB CN(C)Cc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2F)ccc1O 19583385 RVGWHANUGHBVSC-NQIIRXRSSA-N 371.456 2.702 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1noc2ccccc12 16134948 GFGPJPAETIWBBP-UHFFFAOYSA-N 365.433 2.866 10 40 FFCB Cc1cc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)no1 4745528 YHSOTSHDSWJRAH-DHZHZOJOSA-N 363.420 2.806 10 40 FFCB COc1ccc(N2CCOCC2)c(NC(=O)C(Cl)(Cl)Cl)c1 7496755 JDORAFUOTWJYPD-UHFFFAOYSA-N 353.633 2.841 10 40 FFCB CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cn2ccccc2n1 45610634 LTCBMZYBRBMDRU-UHFFFAOYSA-N 351.454 2.784 10 40 FFCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccco1 408968431 YTSOFELFCGFPSG-JXMROGBWSA-N 350.758 2.903 10 40 FFCB Cc1ccc(NC(=O)C[C@H]2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 9025011 DIVHWSMXKFXKEJ-ZIAGYGMSSA-N 364.492 2.732 10 40 FFCB Cc1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)c1C 408593761 NIYMXKVWMJZCQH-CXUHLZMHSA-N 367.405 2.688 10 40 FFCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C/NCc1ccc(F)cc1 2396075 XZFIBOKAXBDXIF-GHRIWEEISA-N 371.412 2.768 10 40 FFCB COC(=O)c1ccc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1 17150088 GMDFXXMEAPDZAS-JYRVWZFOSA-N 374.755 2.727 10 40 FFCB COCCOC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 1792309 MYYZJBNJOPCPBP-XTCQQWIJSA-N 365.476 2.774 10 40 FFCB COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1OC 19909773 POUGOEFZYGQTHG-HXUWFJFHSA-N 373.405 2.560 10 40 FFCB O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1O 1236349 XCZNMNROVOIHOT-UVTDQMKNSA-N 356.428 2.938 10 40 FFCB COc1ccc(N2CCN(C(=O)Cc3ccc(OC)c(C)c3)CC2)cc1 225814527 OVUVIQRQAAJNDK-UHFFFAOYSA-N 354.450 2.904 10 40 FFCB Cc1ccc(-c2nn(CCC(=O)O)cc2/C=C2\SC(=S)NC2=O)cc1 12377796 QCXOXVJGRAHISU-JYRVWZFOSA-N 373.459 2.822 10 40 FFCB CCOc1ccc(C[C@@H]2SC(=S)N(CCOC)C2=O)c(OCC)c1 6961794 HAVJVMRUMHJVTR-HNNXBMFYSA-N 369.508 2.902 10 40 FFCB C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 5867305 JRRGJSDUULIHKJ-FYKQZTOXSA-N 369.381 2.641 10 40 FFCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1 409007409 PXTQVKPBAMQSFF-LCYFTJDESA-N 351.449 2.850 10 40 FFCB Cc1ccc(C)n1-c1ccc(C(=O)NCCCCN2CCOCC2)cc1 48354342 FDGFKBIVCIYIGV-UHFFFAOYSA-N 355.482 2.936 10 40 FFCB O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(CC1CC1)C2=O 575410702 AYWVKSOASTXTFS-UHFFFAOYSA-N 364.357 2.643 10 40 FFCB O=C(O)CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 966838 GRUJFJUZJHYCKW-WEVVVXLNSA-N 358.238 2.735 10 40 FFCB COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 107771183 ULGUBQFRSLHVDE-JYRVWZFOSA-N 373.752 2.718 10 40 FFCB CN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(O)=NC1=S 4550420 AJTRLWHFNRJCHJ-XYOKQWHBSA-N 357.347 2.952 10 40 FFCB O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 36594970 PPGDBDIMGZEDKQ-IOFBRSAASA-N 365.501 2.631 10 40 FFCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c1C 408993793 FWLJHMOEGRDUAO-YBEGLDIGSA-N 351.406 2.803 10 40 FFCB CN1C(=O)C(=Cc2ccc(-c3ccc(F)cc3F)o2)C(=O)N(C)C1=S 5719691 ARKYMADJZRTRCU-UHFFFAOYSA-N 362.357 2.824 10 40 FFCB Cc1cccc(C(=O)NC2(N3CCCCC3)C(=O)c3ccccc3C2=O)c1 226297566 DCDIMVACKJMEFN-UHFFFAOYSA-N 362.429 2.986 10 40 FFCB Cc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 6235869 BZJSQDPCWYHXHH-FPYGCLRLSA-N 370.340 2.688 10 40 FFCB Cc1ccc(O)c(CN2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037978478 YJISDJLWPDUADF-OAQYLSRUSA-N 370.424 2.848 10 40 FFCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(O)[nH]c(=S)[nH]c1=O 100930854 RJGXDSWKKIGVCJ-GHXNOFRVSA-N 356.407 2.561 10 40 FFCB Cc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)n1 1416576 OKFHJCUWYCKUCN-GXDHUFHOSA-N 355.444 2.936 10 40 FFCB CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1COc2ccccc2O1 26520273 MLGXRSJORUQBSB-KRWDZBQOSA-N 355.438 2.734 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1Cl 5100866 XIFNPGOAGXVAGL-SDQBBNPISA-N 372.764 2.726 10 40 FFCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 5789467 JGMVYZPHPPNLGF-ZSOIEALJSA-N 356.359 2.751 10 40 FFCB CCO/C(CC)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CC(=O)OC 19894230 SYDZQHZCTOPERW-JQIJEIRASA-N 361.354 2.561 10 40 FFCB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccccc1N(C)C 97963968 NLQLEIMLLLXQDK-SIUCFOQUSA-N 364.409 2.701 10 40 FFCB COc1ccc(N2CCN(C[C@@H](O)COC[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 106219712 SMNLDUGZCAETHA-CTAFRAEOSA-N 374.525 2.631 10 40 FFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cccc(OC)c2)C1=O 408869005 OSBLJTMNBNAZCJ-VBKFSLOCSA-N 350.374 2.924 10 40 FFCB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccc(C(=O)O)cc1 5774350 FKPXMYMYDFIGLL-AWEZNQCLSA-N 370.386 2.982 10 40 FFCB COc1ccc(N2CCN(C[C@H](O)COC[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 106219710 SMNLDUGZCAETHA-HUUJSLGLSA-N 374.525 2.631 10 40 FFCB O=C1N=C(N2CCOCC2)S/C1=C\c1cccc(Br)c1 12428617 ATRHUQHPDMLIOA-XFXZXTDPSA-N 353.241 2.752 10 40 FFCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2214346 ZTHLFCPMXVGMDT-LWMSPQMPSA-N 361.448 2.873 10 40 FFCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1ccccc1F 408875900 HUFLPWSDSOWFTQ-UHFFFAOYSA-N 368.364 2.565 10 40 FFCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2C)C(=O)NC1=S 409104408 ZFEFEGWIKSEZSL-FMIVXFBMSA-N 359.838 2.818 10 40 FFCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(C)C3=O)c2C)c1 409189671 MQVKNUOWIKQLIL-GZTJUZNOSA-N 367.405 2.793 10 40 FFCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N=C2O)o1 3210706 OKBPBDRXMIFKLW-UHFFFAOYSA-N 373.346 2.618 10 40 FFCB COc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C)cc3)C2=O)c1 16662483 AMPITOIJDBGCKE-LFIBNONCSA-N 351.362 2.582 10 40 FFCB Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccccn1 9336908 ZKDKDWSBASLHKD-UHFFFAOYSA-N 366.421 2.536 10 40 FFCB COc1ccc2ccc(O)c(CN3Cc4ccccc4C[C@H]3C(N)=O)c2c1 32724522 PEAJOKAJZAOPPC-FQEVSTJZSA-N 362.429 2.966 10 40 FFCB COc1ccc(/C=C2/SC(=S)N(CCCCCC(N)=O)C2=O)cc1 1765935 FITWKMCWMLJZIW-SDNWHVSQSA-N 364.492 2.942 10 40 FFCB Cc1cc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)ccc1[N+](=O)[O-] 3117722 SVXQRAZBQXGDJJ-UHFFFAOYSA-N 369.333 2.597 10 40 FFCB Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccncc2)SC1=S 1209962 ZFIIMFBWPFOYHH-UVTDQMKNSA-N 355.444 2.936 10 40 FFCB CC(=O)Nc1ccc(C(=O)N2N=C(C)/C(=C\c3ccccc3O)C2=O)cc1 104299105 BIEDPDBRUDYKKE-GZTJUZNOSA-N 363.373 2.793 10 40 FFCB O=C(CNCc1ccco1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9477176 JXPDDUGGBWXKAX-UHFFFAOYSA-N 360.369 2.783 10 40 FFCB CCOc1cccc2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)nc12 6660568 YTDOBIMWAZCSNE-JYRVWZFOSA-N 374.443 2.919 10 40 FFCB CN(C)c1ccc(CN(CCCn2ccnc2)Cc2nccn2C)cc1 19291481 DWZHIQOGEDSCDJ-UHFFFAOYSA-N 352.486 2.775 10 40 FFCB COc1ccc(-n2nnnc2CNC(=O)c2cccc3ccccc23)cc1 9570381 GQWWARVRCOGWNY-UHFFFAOYSA-N 359.389 2.754 10 40 FFCB CN1CCN(C2=NC(=O)/C(=C/c3ccc(OC(F)F)cc3)S2)CC1 23115527 ZBCIFIZCTXNMSU-RAXLEYEMSA-N 353.394 2.506 10 40 FFCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccncc3)SC2=S)cc1 1476280 SPJZNIKEJUETGW-UVTDQMKNSA-N 355.444 2.936 10 40 FFCB Cc1ccccc1-c1nnc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n12 2394658 PLLRUVZPXMMGJS-ATVHPVEESA-N 362.458 2.740 10 40 FFCB O=C1N=C(O)N(c2ccc(F)cc2)C(=O)/C1=C\c1nc2ccccc2[nH]1 17180680 MZQSXSFEKSRJMA-XFXZXTDPSA-N 350.309 2.573 10 40 FFCB Cc1cc(C(=O)NCc2cccnc2-n2cncn2)c(C)n1-c1ccccc1 58227114 KVSICGDUDSOOAZ-UHFFFAOYSA-N 372.432 3.000 10 40 FFCB CCOc1ccc(Br)cc1/C=C1\NC(=S)N(CC)C1=O 210130133 KXHSBNOYRDHWLQ-FLIBITNWSA-N 355.257 2.925 10 40 FFCB CCN(CC)CCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 5460267 GXGFFXSOKQYBDT-UHFFFAOYSA-N 354.406 2.627 10 40 FFCB O=C(CN1C(=O)CSC1=S)N1CCS[C@H](c2ccccc2)CC1 206988510 BKKFHEOKYPOAJE-ZDUSSCGKSA-N 366.533 2.554 10 40 FFCB CC1=NN(C(=O)c2ccccc2O)C(=O)[C@H]1/N=N\c1ccc([N+](=O)[O-])cc1 68602437 YRXXQRFUEXMUAQ-IJYGLTAASA-N 367.321 2.811 10 40 FFCB COc1ccccc1/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1 13674679 XTOBWCIWXVGROO-DHZHZOJOSA-N 352.434 2.861 10 40 FFCB CCCc1nnc(S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)O)[nH]1 7342383 HBQNEWRRWYOHLW-NTCAYCPXSA-N 374.466 2.812 10 40 FFCB COc1ccc(N2CCN(C[C@H](O)COC[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 101244256 SMNLDUGZCAETHA-BNDYYXHWSA-N 374.525 2.631 10 40 FFCB CN1CCCc2cc(CNC(=O)NCc3cccc4c3OCO4)ccc21 58562021 BKSWHWROQUEKQM-UHFFFAOYSA-N 353.422 2.797 10 40 FFCB O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(c2cnccn2)CC1 73955032 BETMICJZUYHJBQ-UHFFFAOYSA-N 365.481 2.610 10 40 FFCB CCCC12CN3CC(CCC)(CN(C1)C3c1cccc(OC)c1O)C2O 19323510 DRIOZZYJPLFHTM-UHFFFAOYSA-N 360.498 2.978 10 40 FFCB biogenic CN1CCCc2cc(CNC(=O)CNC(=O)OCc3ccccc3)ccc21 60456407 VJBFAKMXCMKLPZ-UHFFFAOYSA-N 367.449 2.612 10 40 FFCB Cc1cccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)c1 14197695 HVYBCVWPTANEGX-SSZFMOIBSA-N 362.520 2.919 10 40 FFCB CN1C(=O)C(=Cc2cccc(OCc3ccc(F)cc3)c2)C(=O)N(C)C1=O 5719695 YMHWZOUFTGUETH-UHFFFAOYSA-N 368.364 2.839 10 40 FFCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1C[C@@H]1CCCO1 13547356 QKLNJZAWYXBNRE-OEMOTLHWSA-N 350.421 2.975 10 40 FFCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 1281128 DYTGVULDQDTTKS-ZROIWOOFSA-N 355.444 2.936 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(F)c(Cl)c2)o1 113832254 YEAXJVGZBXXOQE-UHFFFAOYSA-N 350.758 2.653 10 40 FFCB CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)O)cc1 102041473 CWGYDDQUADRUKM-WOJGMQOQSA-N 350.374 2.952 10 40 FFCB COc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 5219614 VMXWVUQMVFIIOF-DIQJHTJGSA-N 363.402 2.758 10 40 FFCB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 18150398 ZFKLZZIEKOQEAB-UHFFFAOYSA-N 360.479 2.737 10 40 FFCB COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)c(OC)c1 28617179 NCPFBIXFCFNTIV-FQEVSTJZSA-N 373.405 2.560 10 40 FFCB COc1ccc(N2CCN(C[C@@H](O)COc3cc(C)cc(C)c3)CC2)cc1 85842850 ANHRWVDCNNUDFZ-HXUWFJFHSA-N 370.493 2.874 10 40 FFCB COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c(O)c1 19551850 SIKMPUUPCNCOKR-APWZRJJASA-N 362.376 2.789 10 40 FFCB CN1CCN(C2=NC(=O)/C(=C\c3cccc(Br)c3)S2)CC1 59488412 HAPVMHWCLCNIDE-JLHYYAGUSA-N 366.284 2.667 10 40 FFCB Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 98087180 POJUPGPTXVPLDT-GOSISDBHSA-N 367.493 2.831 10 40 FFCB COc1ccc(N2CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)cc1 12323080 IEHLAZAYCDTZGI-UHFFFAOYSA-N 370.840 2.959 10 40 FFCB O=C(C[C@@H]1SC(=S)N(Cc2ccco2)C1=O)NCCc1ccccc1 9189413 KNSNZQZOYMZBFZ-HNNXBMFYSA-N 374.487 2.758 10 40 FFCB COc1ccc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c(OC)c1 4836770 YAILXFUFRFCLQB-SGEBQPRFSA-N 362.451 2.783 10 40 FFCB COc1ccc2[nH]cc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c2c1 6660837 RCWWZXUECNSWNR-MLPAPPSSSA-N 362.432 2.852 10 40 FFCB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21 4884516 JVONOWRESCPOCC-UHFFFAOYSA-N 374.418 2.515 10 40 FFCB O=C(O)CN1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)SC1=S 2204115 SWDYMRUGEGFTAP-FLIBITNWSA-N 352.437 2.556 10 40 FFCB Cc1ccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)o1 12811406 MIDRKWYMLYXDQZ-KAMYIIQDSA-N 352.481 2.512 10 40 FFCB C[C@@H]1CC(C)(C)N(C)c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc21 113773216 FUEDXRDQTDXKHG-GFCCVEGCSA-N 355.438 2.842 10 40 FFCB CCc1cc2c(C)cc(=O)oc2c(CN(C)CC(=O)NC(C)(C)C)c1O 14136799 GGLWIYJWGCOVQV-UHFFFAOYSA-N 360.454 2.716 10 40 FFCB CN(CC(=O)NCc1cc([N+](=O)[O-])ccc1O)Cc1cccc(Cl)c1 8748359 OBKWAJMNKGWXCN-UHFFFAOYSA-N 363.801 2.702 10 40 FFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OC 408857798 WPDGCQLZTMOJNA-GXDHUFHOSA-N 370.336 2.509 10 40 FFCB O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2)C(=O)N1 15015485 XGDLAKLBMZDPPF-UHFFFAOYSA-N 356.765 2.668 10 40 FFCB O=C1N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1C1CCCCC1 409079584 LBXAMEWWDHWKAA-JXAWBTAJSA-N 355.438 2.749 10 40 FFCB Cn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2Cl)C1=O 409105457 JUOMOBMPMVWSDG-DHZHZOJOSA-N 364.188 2.998 10 40 FFCB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 1037251 TYSREBPYCXJABW-UHFFFAOYSA-N 350.465 2.835 10 40 FFCB COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OC(C)=O 58865790 BGYRSUBQSLUKPK-UHFFFAOYSA-N 360.362 2.764 10 40 FFCB CN(C)c1ccc(/C=C(\C(=O)N2CCCCC2)n2ccccc2=O)cc1 4663365 SNWIHACHEDRURQ-KNTRCKAVSA-N 351.450 2.925 10 40 FFCB CCOc1cccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408882763 NXBSLJADSJFWQV-VBKFSLOCSA-N 352.415 2.917 10 40 FFCB Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)o1 5552619 CPKSIOBYDWMSSA-JYRVWZFOSA-N 360.416 2.840 10 40 FFCB COCCCN1C(=O)/C(=C\Nc2ccccc2C(=O)OC)SC1=S 101468994 BPUZDWVHPCJRSD-JLHYYAGUSA-N 366.464 2.623 10 40 FFCB C[C@H]1Oc2ccccc2N(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1=O 28643205 OSJZIRJIURWTAV-OAHLLOKOSA-N 367.449 2.525 10 40 FFCB CC(=O)Nc1ccc(S(=O)(=O)NNc2nc3ccccc3s2)cc1 6022556 VOXLUBCUOMYDDZ-UHFFFAOYSA-N 362.436 2.560 10 40 FFCB COc1ccc(N(C)CCNC(=S)Nc2ccc3c(c2)OCCO3)cc1 225798309 JOZDVAZSRYFGOM-UHFFFAOYSA-N 373.478 2.889 10 40 FFCB CCOC(=O)c1c(NC=C2C(=O)OC(C)(C)OC2=O)sc(C)c1C 23127156 GGWGZZDYFFAXBM-UHFFFAOYSA-N 353.396 2.674 10 40 FFCB COc1ccc(C2=NN[C@H](c3cc4c(c(OC)c3OC)OCO4)C2)c(O)c1 35324270 PCMWKZWXMPQOTJ-AWEZNQCLSA-N 372.377 2.585 10 40 FFCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 1809357 DJUOYZLSGSFLRW-JYRVWZFOSA-N 367.448 2.555 10 40 FFCB Cn1cccc1/C=C1\SC(N2CCN(Cc3ccccc3)CC2)=NC1=O 13570002 NPSUOTCDUHKRJP-JXAWBTAJSA-N 366.490 2.813 10 40 FFCB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)CC1 32956447 ZNEHDRXEGXUZRY-UHFFFAOYSA-N 367.449 2.681 10 40 FFCB CN1CCCc2cc(CNC(=O)[C@]3(C)Cc4ccccc4C(=O)O3)ccc21 69950521 RQWJHIDPMTZVQX-QFIPXVFZSA-N 364.445 2.857 10 40 FFCB COC(=O)[C@@H](Sc1ccc(Cl)cc1)[C@H]1SC(=S)N(C)C1=O 1567373 BCVTVHRACQUNHO-ZJUUUORDSA-N 361.897 2.832 10 40 FFCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1Cl 981056 YUWIAYDPDLGEEI-MXFUOJGSSA-N 352.843 2.774 10 40 FFCB CCc1ccc(N2NC(=O)/C(=C/c3cccc(OC(C)=O)c3)C2=O)cc1 4656222 UZIUFBSQLZPKDM-PDGQHHTCSA-N 350.374 2.636 10 40 FFCB COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1OC 96314339 TUJPSSQCSWJPFD-UHFFFAOYSA-N 352.431 2.770 10 40 FFCB CCOc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 5332900 VDBQCIYGMFVDSV-ATVHPVEESA-N 365.389 2.973 10 40 FFCB Cc1cccc(C(=O)N[C@H](C)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 69772642 YWFRYUUOZOPJOA-MRXNPFEDSA-N 353.466 2.838 10 40 FFCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccccn1 19199872 IKUHJVXLUIBTHH-JXAWBTAJSA-N 364.474 2.870 10 40 FFCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1c1cccnc1 84422126 KGMALIMJMMVRRD-ZWKOTPCHSA-N 369.440 2.602 10 40 FFCB CN1C(=O)/C(=C/c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 103756957 CUKTUWPMUPEDFW-DHZHZOJOSA-N 370.277 2.928 10 40 FFCB CCCCC[C@@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O 5513436 WGPOPPKSQRZUTP-GFCCVEGCSA-N 372.373 2.898 10 40 FFCB biogenic,in-vitro COc1cc2c(cc1C[C@H]1SC(=S)N(CC(C)C)C1=O)OCO2 6326149 FZKSKUPKXQQFCX-CQSZACIVSA-N 353.465 2.851 10 40 FFCB COc1ccc(N2CCN(CC(=O)Nc3cc(C(C)(C)C)no3)CC2)cc1 58031502 PEKJOECEEPUAQX-UHFFFAOYSA-N 372.469 2.741 10 40 FFCB COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)C(=O)NC2=S)cc1 408755443 NTHFLOBJQAKYGO-WJDWOHSUSA-N 352.415 2.835 10 40 FFCB CCOc1ccc(N2C(=O)/C(=C\c3cccs3)C(=O)NC2=S)cc1 4723856 GINUOIYBXJCKOP-UVTDQMKNSA-N 358.444 2.978 10 40 FFCB COc1ccc([C@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)cc1 26441800 IJAAMPLVMCQUNS-HXUWFJFHSA-N 355.483 2.862 10 40 FFCB O=C1NC(=O)C(=Cc2ccccc2OCc2cccc(Cl)c2)C(=O)N1 408811479 KHVXNJFMIIHHKL-UHFFFAOYSA-N 356.765 2.668 10 40 FFCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\[C@H](C)c1ccccc1 96193367 QLTUQIBQIIZHBS-CYUIRQCWSA-N 369.446 2.787 10 40 FFCB Cn1cccc1/C=C1/SC(=S)N(c2ccc(C(=O)O)c(O)c2)C1=O 4356737 IUMZCEWOKOJTCS-MDWZMJQESA-N 360.416 2.835 10 40 FFCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 23397949 JCAORBSQHNFPNX-UHFFFAOYSA-N 360.844 2.512 10 40 FFCB CN(C)c1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1 31771977 BRBNTWSWPLKACE-FQEVSTJZSA-N 356.422 2.609 10 40 FFCB CC(=O)Nc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 12537869 WZJRTVDGBQQRMU-UHFFFAOYSA-N 367.449 2.754 10 40 FFCB CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)Sc1nnnn1C1CC1 58224549 XOQGIMMBJKMILE-CYBMUJFWSA-N 374.514 2.603 10 40 FFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Cl)cc1 408948283 FHAXGMJKHCWVRK-NTUHNPAUSA-N 370.748 2.735 10 40 FFCB COc1ccc(N2CCN(C(=O)c3ccccc3OC)CC2)c([N+](=O)[O-])c1 6544971 VUTKDHHIKDAVGV-UHFFFAOYSA-N 371.393 2.574 10 40 FFCB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 13689734 UPZPGBZOBGWJMF-WQLSENKSSA-N 374.491 2.593 10 40 FFCB Cc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)c1C 409001921 XZGUFBPNQDUQOS-YBEGLDIGSA-N 351.406 2.803 10 40 FFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S 1834048 OMNHPQAHMDGVLG-UVIKPUKZSA-N 367.448 2.768 10 40 FFCB COc1cc(/C=C2\CC(=O)N(c3ccc(C(C)=O)cc3)C2=O)cc(O)c1O 62001833 RGCOFPLZLBDVTR-VGOFMYFVSA-N 367.357 2.656 10 40 FFCB biogenic CCOc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)OC)C2=O)ccc1O 12635822 YMBAACNTCJKWHD-LMRAXHDRSA-N 367.448 2.554 10 40 FFCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c[nH]n2c(=O)c3ccccc3nc12 100946439 ZFERULHDIFDHBI-GZTJUZNOSA-N 369.384 2.982 10 40 FFCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1ccccc1 4711764 PVERYIUEGAZWGH-SFQUDFHCSA-N 358.357 2.539 10 40 FFCB Nc1ccccc1C(=O)n1nc(N)c(N=Nc2ccc([N+](=O)[O-])cc2)c1N 250182426 CWTFKIQLIZZAIF-UHFFFAOYSA-N 366.341 2.642 10 40 FFCB CCOc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1O 829580 VQEMYDVBZOWFAX-RIYZIHGNSA-N 358.781 2.906 10 40 FFCB N=C1/C(=C\c2ccc(F)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 5148681 CWLMKEFDEKMEQQ-RLKNNEGJSA-N 351.366 2.888 10 40 FFCB COC(=O)c1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 14199025 OYLWTWFYWDWYPK-CKXDQPNJSA-N 363.460 2.853 10 40 FFCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccnc1 4745519 JWHOYMZFDVAZEL-UKTHLTGXSA-N 359.432 2.905 10 40 FFCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 59959481 VJLAMUZSHCNJJI-JYRVWZFOSA-N 360.366 2.684 10 40 FFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C(=O)O)cc3)C2=O)cc1 408989960 VTGFXZHGHGBWIW-WJDWOHSUSA-N 364.357 2.614 10 40 FFCB COc1ccccc1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 225770275 FBRAXIINEXDDQX-UHFFFAOYSA-N 354.454 2.769 10 40 FFCB CCOc1cc(C[C@H]2SC(=S)N(CCOC)C2=O)ccc1OC 6960493 KGSNOOWBIVDRDZ-CQSZACIVSA-N 355.481 2.512 10 40 FFCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(F)c(Cl)c1 107955945 DNMOFEQJFZOHPW-XFFZJAGNSA-N 363.732 2.647 10 40 FFCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NC(C)(C)C 4736893 IGTOQTXJWHJKNG-ATVHPVEESA-N 359.426 2.623 10 40 FFCB CN1CCN(C2=NC(=O)/C(=C/c3ccccc3Br)S2)CC1 19822996 SQLRVIGDBPWGTF-RAXLEYEMSA-N 366.284 2.667 10 40 FFCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O 408934184 LNQYSRIGRKJZAK-GXDHUFHOSA-N 359.838 2.993 10 40 FFCB CCOc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 35087665 SZUBMTCESJTOEY-ATVHPVEESA-N 351.406 2.613 10 40 FFCB COc1ccc(N2CCN(c3ccc(C(=O)O)cc3[N+](=O)[O-])CC2)cc1 3913779 RVOPDFKSBXCWCB-UHFFFAOYSA-N 357.366 2.628 10 40 FFCB biogenic CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCN1CCOCC1 103918226 JUHOJVAMUHXGEJ-CYVLTUHYSA-N 374.460 2.524 10 40 FFCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(N(C)C)cc1 4140305 HETILLMYZSPZBJ-ZCWPUFOUSA-N 370.449 2.604 10 40 FFCB Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(=O)NC2=S)cc1 4743490 GXDIUSGNDJIQMN-ZSOIEALJSA-N 366.398 2.555 10 40 FFCB COc1ccc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)c(OC)c1 59475169 HVNOOTOPZWVVRT-LICLKQGHSA-N 352.390 2.782 10 40 FFCB CCc1ccc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 217011909 WRIPPHITAIYLHW-UHFFFAOYSA-N 367.493 2.696 10 40 FFCB Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] 13676082 YJTRJYDBHUQMCG-UHFFFAOYSA-N 355.394 2.670 10 40 FFCB CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccncc3)no2)cc1 15674436 BMKOXQIJWMJGOP-MSOLQXFVSA-N 365.437 2.506 10 40 FFCB biogenic,in-vitro COc1ccc(N2CCN(C[C@H](O)COc3c(C)cccc3C)CC2)cc1 20347308 NMPWLFPWXCLQKV-FQEVSTJZSA-N 370.493 2.874 10 40 FFCB Cc1cc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)no1 5544128 YMAGQMNLWLNKDN-UXBLZVDNSA-N 365.461 2.884 10 40 FFCB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1C[C@@H]1CCCO1 13547360 PIMKXQWRYARPOD-OEMOTLHWSA-N 350.421 2.975 10 40 FFCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CCCN1CCOCC1 20227314 LGTMUWRUMBOPST-NTCAYCPXSA-N 366.483 2.749 10 40 FFCB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 409394027 UOXBRYOFWWICMR-LVLBFHFTSA-N 365.389 2.925 10 40 FFCB O=C1C(/C=C/C=C/C=C2\Sc3cccc[n+]3C2=O)=S=C2C=CC=CN12 409415796 QFDHCMSQJVLIAX-XNJLMSFASA-N 365.459 2.678 10 40 FFCB Cn1cccc1/C=C1/SC(N2CCN(c3ccccc3)CC2)=NC1=O 5372885 XAEVTNSTQOQQKM-SAPNQHFASA-N 352.463 2.818 10 40 FFCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S 6080793 OMNHPQAHMDGVLG-ZDIKFAODSA-N 367.448 2.768 10 40 FFCB Cc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C 3904454 CDOMRFYKDIBAOP-UHFFFAOYSA-N 353.447 2.625 10 40 FFCB COc1cc([C@@H]2CC(c3ccc(O)cc3)=NN2C=O)cc(OC)c1OC 66091610 LHTNTKILZIFPPX-INIZCTEOSA-N 356.378 2.726 10 40 FFCB COC(=O)c1ccc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)cc1 5977520 RIGSIIUYQXWFHI-UHFFFAOYSA-N 356.330 2.953 10 40 FFCB CN(C)c1ccc([C@H](CNC(=O)NCc2ccc(F)cc2)N(C)C)cc1 22418359 BSVUFCSBTLGKQD-IBGZPJMESA-N 358.461 2.994 10 40 FFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 4357012 IPBPYGAUIUXUGK-LCFDYFRESA-N 365.432 2.538 10 40 FFCB COc1ccc(N2CCN(C(=O)CN[C@H](C)c3cccs3)CC2)cc1 12557982 HMWUMKUHRDVNOI-OAHLLOKOSA-N 359.495 2.756 10 40 FFCB CCOc1ccc(C[C@H]2SC(=S)N(CCOC)C2=O)c(OCC)c1 6961771 HAVJVMRUMHJVTR-OAHLLOKOSA-N 369.508 2.902 10 40 FFCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1SC 96298123 PDEMACSNVFDSTH-IZZDOVSWSA-N 355.462 2.703 10 40 FFCB CC1=CC2=NC(=O)/C(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)C(=N)N2O1 33531721 HDSMTNRCHAYRPC-PEQWBOIWSA-N 354.410 2.734 10 40 FFCB COc1ccc(-n2c(C)cc(C(=O)N3CCNC(=O)[C@@H]3C(C)C)c2C)cc1 78496093 DDPJMDKUQDYBDH-IBGZPJMESA-N 369.465 2.699 10 40 FFCB Cc1ccccc1/C=C1\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O 4356753 LIQICRUPUCEYTG-HQQGHWSLSA-N 365.432 2.514 10 40 FFCB COc1ccc(-n2nnnc2CNC(=O)Nc2ccccc2Cl)cc1 9571383 UERQNEGPURTJBH-UHFFFAOYSA-N 358.789 2.646 10 40 FFCB Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1C 5898279 BWJCAJHGJHSSFE-MHWRWJLKSA-N 367.474 2.967 10 40 FFCB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccccc3C)cc2)CC1 32956455 GLPMCHSTMOFWKD-UHFFFAOYSA-N 367.449 2.681 10 40 FFCB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(N2CCOCC2)C1=O 54361106 VWBNNZUBEILSRO-COOUDCDJSA-N 374.487 2.842 10 40 FFCB COC(=O)c1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1 409125809 KMLFEGOUXHWODL-PTNGSMBKSA-N 366.398 2.874 10 40 FFCB Cc1ccc(C(=O)NC2(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 226297532 XKVVRSRHYSXABH-UHFFFAOYSA-N 362.429 2.986 10 40 FFCB Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1 42123795 PTZQUFHIPADLQV-SFHVURJKSA-N 364.442 2.540 10 40 FFCB Cc1ccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 408801289 UUIOYBBGUCORGR-UHFFFAOYSA-N 370.792 2.977 10 40 FFCB COc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 4413105 BTWMPJXMYGDBMH-INIZCTEOSA-N 370.449 2.820 10 40 FFCB CC(C)C[C@@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 16032404 PTFLFGVMVRNUKD-MRXNPFEDSA-N 359.422 2.966 10 40 FFCB biogenic CN(c1ccc(CNC(=O)CCN2C(=O)CCC2=O)cc1)C1CCCCC1 58184190 SOUJIVUYSGCGOF-UHFFFAOYSA-N 371.481 2.611 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NCc3ccc(F)cc3)C2=O)cc1C 101075856 WUOAKEBALBZYHL-GZTJUZNOSA-N 367.380 2.699 10 40 FFCB COc1cc([C@@H]2CC(c3ccccc3O)=NN2C=O)cc(OC)c1OC 66091606 QEHZTAFEIWTPSP-HNNXBMFYSA-N 356.378 2.726 10 40 FFCB COc1cccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c1OC 22028138 SHMHWMPRDAIDAB-ZHHBOZQESA-N 362.451 2.783 10 40 FFCB O=C1c2ccccc2C(=O)c2cc(C[n+]3ccccc3C3OCCO3)ccc21 4974719 RKPFQGCSZDHCBK-UHFFFAOYSA-N 372.400 2.843 10 40 FFCB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)c1 408913011 JODPJTLLAPBOSZ-MHWRWJLKSA-N 353.447 2.659 10 40 FFCB O=C(NC[C@H](O)c1ccccc1)c1nc(-c2ccc(-n3cccc3)cc2)no1 4708310 ROUDOSRXAHVODB-SFHVURJKSA-N 374.400 2.991 10 40 FFCB Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)s1 409192636 DBTZQIGAZLMWMI-MDWZMJQESA-N 372.427 2.586 10 40 FFCB CC(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 12634193 BCDRWDMRMZXGPD-UHFFFAOYSA-N 353.466 2.749 10 40 FFCB COc1ccc(/N=N/[C@@H]2C(=O)N(c3ccccc3)N=C2NC(C)=O)cc1 97964029 QLPZVLGFZOXYTO-BZROSYFNSA-N 351.366 2.644 10 40 FFCB CC(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33580448 PRKJEGSEHAVVAS-GDNBJRDFSA-N 367.361 2.843 10 40 FFCB COc1cccc(C2N3CC4(C(C)C)CN2CC(C(C)C)(C3)C4O)c1O 19323526 IBSMYEJUGQGING-UHFFFAOYSA-N 360.498 2.690 10 40 FFCB biogenic COc1cccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1 225775868 XDQFCMWNCRGJFD-UHFFFAOYSA-N 370.522 2.934 10 40 FFCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(Br)ccc1OC 5465361 XMAVCJXUCALKDP-WQLSENKSSA-N 366.211 2.760 10 40 FFCB CCOc1cccc(N2C(=O)/C(=C/c3ccccc3O)C(=O)NC2=S)c1 4893425 DGHASQRKXQDBAO-XNTDXEJSSA-N 368.414 2.622 10 40 FFCB COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2 2744788 MUTNGMJUXMTKSV-VHSXEESVSA-N 351.424 2.853 10 40 FFCB COc1cccc(C(=O)NN2C(=O)/C(=C/c3cccnc3)SC2=S)c1 8657395 HWLHRQIBKAMQQC-ZSOIEALJSA-N 371.443 2.636 10 40 FFCB CNC(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)cc1 95420061 YYMOETIWIOTZQF-INIZCTEOSA-N 367.493 2.858 10 40 FFCB Cc1c(CC(=O)NCCc2ccccc2F)c(=O)oc2c(O)c(O)ccc12 6660805 POLQQROHTMTVOA-UHFFFAOYSA-N 371.364 2.553 10 40 FFCB NC(=O)COc1cccc(/C=C2\SC(Nc3ccccc3)=NC2=O)c1 107674493 GFSCCQTZFTUNQZ-GDNBJRDFSA-N 353.403 2.633 10 40 FFCB CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O 409394177 WUCDNJWEHVLPTP-MLDYKZIASA-N 365.389 2.925 10 40 FFCB CC1(C)C[C@]2(C[C@@](C)(C3=NC(Nc4ccccc4)=S=C3)OC2=O)C(=O)O1 102453015 JHJVATZHRKWPFP-OALUTQOASA-N 372.446 2.593 10 40 FFCB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@@H]1c1cccnc1 84422120 KGMALIMJMMVRRD-MSOLQXFVSA-N 369.440 2.602 10 40 FFCB CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)SC1=S 409377328 GJQHOUMMEIQGDR-SDQBBNPISA-N 354.409 2.833 10 40 FFCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 225152802 RRWPMXYIBRDUJM-UHFFFAOYSA-N 363.439 2.920 10 40 FFCB CCCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CC(=O)OC 17076564 QCMDVBUXOMYYJA-ATVHPVEESA-N 374.397 2.524 10 40 FFCB Cc1cc(NC(=O)[C@H](C)OC(=O)c2sc3nc(C)cc(C)c3c2N)on1 10723606 YEFFYGMMCVXPAO-JTQLQIEISA-N 374.422 2.976 10 40 FFCB COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1OC 2561270 UWNUJPINKMRKKR-UHFFFAOYSA-N 360.318 2.603 10 40 FFCB endogenous,in-man Oc1cc2c(cc1CN1CCC[C@H](c3nnc4n3CCCCC4)C1)OCO2 12884560 HJKMMSQKYDFAGJ-AWEZNQCLSA-N 370.453 2.818 10 40 FFCB CCOC(=O)c1cnn2c(O)cc(CN3CCCc4ccccc43)nc12 47274460 TVMDOVQLUMMSBO-UHFFFAOYSA-N 352.394 2.564 10 40 FFCB Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(C)C1=O)[C@@H](C)CC(C)(C)N2C 208219108 KQCAOMVOFCBNPV-DGGAMASNSA-N 371.506 2.974 10 40 FFCB CCOC(=O)CSC1=NC(=O)/C(=C\c2ccc(OC(C)=O)cc2)S1 12859909 WZXDTGAMXTVSDJ-MDWZMJQESA-N 365.432 2.879 10 40 FFCB O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2cccc(O)c2)SC1=S 4853499 TZBKAEWFLHXIIN-GDNBJRDFSA-N 370.455 2.867 10 40 FFCB COC(=O)CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 1297733 TZOFZQLQTZQGTO-JLHYYAGUSA-N 350.465 2.517 10 40 FFCB CCCOc1c(Cl)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 12765667 MUUZHNONNZJLAY-UHFFFAOYSA-N 366.801 2.571 10 40 FFCB COc1ccc(N2CCN(C(=O)c3cnc(C(C)C)nc3C)CC2)cc1 222573830 BYCUZQUGHODCKE-UHFFFAOYSA-N 354.454 2.879 10 40 FFCB Cc1ccc(/N=N\c2cc(C)ccc2N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)cc1 245232583 YFPIVGOSXSIEFG-QZMZQKETSA-N 371.437 2.958 10 40 FFCB NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 15228281 WOANGKXLXNHWMC-XNTDXEJSSA-N 370.455 2.957 10 40 FFCB O=C(O)c1nn(-c2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O 1584712 LUFJOPHUENGNNB-UHFFFAOYSA-N 352.733 2.999 10 40 FFCB in-vitro CCO/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2CC)C1=O 6489859 KUIFIWRPESCLKL-FLIBITNWSA-N 367.199 2.515 10 40 FFCB CN1C(=O)/C(=C2\SC(Nc3ccc(O)cc3)=NC2=O)c2ccccc21 12032319 RFPDUMCSDGOTFK-PFONDFGASA-N 351.387 2.821 10 40 FFCB Cc1n[nH]c(C)c1/C=C/c1nc2ccccc2c(=O)n1CCCC(=O)O 65565204 XUJPRFTVFKMIHQ-MDZDMXLPSA-N 352.394 2.772 10 40 FFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1O 1201336 WZYIOHZSGJYBRO-KPKJPENVSA-N 372.764 2.721 10 40 FFCB Cc1ccc(O)c(CN2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c1 2037978477 YJISDJLWPDUADF-NRFANRHFSA-N 370.424 2.848 10 40 FFCB CCN1c2ccc(C=C3C(=O)NC(=S)NC3=O)cc2C(C)=CC1(C)C 113818840 JXQATWLCGWUAEH-UHFFFAOYSA-N 355.463 2.623 10 40 FFCB COc1ccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)c(O)c1 49169670 IJUCWBNGPYICHM-HNNXBMFYSA-N 352.394 2.835 10 40 FFCB biogenic,in-vitro CCN1c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2C(C)=CC1(C)C 208507787 FEODWMMEUKQDEC-XNTDXEJSSA-N 369.490 2.965 10 40 FFCB Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)o1 16740138 FGYGIGDQHGUOAQ-JYRVWZFOSA-N 360.416 2.840 10 40 FFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(OC)c2)C1=O 1175805 KGJSIAOJDBAHDX-GXDHUFHOSA-N 366.373 2.630 10 40 FFCB Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(C(N)=O)CC3)c2C)cc1 12610008 CXEZKQSYWFRKLM-UHFFFAOYSA-N 353.466 2.783 10 40 FFCB O=[N+]([O-])c1ccc(CN2CCCN(c3ccc4c(c3)OCCO4)CC2)o1 12143997 CNCMRHHAIDTSPS-UHFFFAOYSA-N 359.382 2.671 10 40 FFCB COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1\SC(=S)N(C)C1=O 102732515 HSOXXMUXGRPVQL-WDZFZDKYSA-N 350.396 2.925 10 40 FFCB O=C(/C=C/c1ccc(F)cc1)N1CCN(c2ccc3c(c2)OCO3)CC1 408601535 KLPKYFXQSQHQMY-FPYGCLRLSA-N 354.381 2.916 10 40 FFCB CN(C)c1ccc([C@H]2C=C(C(=O)O)Nc3nc(-c4ccccc4)nn32)cc1 102335804 QIDBXICUUATAKN-QGZVFWFLSA-N 361.405 2.995 10 40 FFCB COc1ccc(/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)c(OC)c1 18107000 YAILXFUFRFCLQB-DWGRIRGQSA-N 362.451 2.783 10 40 FFCB COc1cccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)c1 1276845 FWAJYSBWNNVDAM-JYRVWZFOSA-N 351.449 2.848 10 40 FFCB CN(CCOc1ccccc1)CC(=O)N(C)Cc1ccc(N(C)C)cc1 70011104 DHLJWNWUAJDXLH-UHFFFAOYSA-N 355.482 2.722 10 40 FFCB Cc1cccnc1NC(=S)NCc1ccc(N2CCN(C)CC2)cc1 225777373 UVKSONJICBAONO-UHFFFAOYSA-N 355.511 2.628 10 40 FFCB CCN1/C(=C/C=C/C=C/C=C2C(=O)NC(=O)NC2=O)Sc2ccccc21 685944538 LLEHQRXTTKVQNA-BFWJFSDSSA-N 367.430 2.865 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1O 409247208 GUWMAYFKTLCGKS-UKTHLTGXSA-N 368.414 2.541 10 40 FFCB CCc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)cc1 5954363 SAAMQLQKYNMOIW-LFIBNONCSA-N 352.415 2.786 10 40 FFCB COc1cccc([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)c1OC 28617175 PKUPFNJHQHKECO-IBGZPJMESA-N 373.405 2.560 10 40 FFCB Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)on1 46405504 BZKAMAZXBROXBD-UHFFFAOYSA-N 369.343 2.768 10 40 FFCB CCOc1cc(C[C@@H]2SC(=S)N(CCOC)C2=O)ccc1OC 6960505 KGSNOOWBIVDRDZ-AWEZNQCLSA-N 355.481 2.512 10 40 FFCB COc1ccc(N(CCC(N)=O)Cc2nc(-c3ccccc3)no2)cc1 8726846 QEWLBUJYXQRMIQ-UHFFFAOYSA-N 352.394 2.627 10 40 FFCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 4357015 IPBPYGAUIUXUGK-HQQGHWSLSA-N 365.432 2.538 10 40 FFCB CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc3c(c2)CCO3)cc1 67977151 ABHQUODUPMUIEO-UHFFFAOYSA-N 374.506 2.940 10 40 FFCB CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O 409249611 NQQLDAPMIYWTMQ-GZTJUZNOSA-N 367.405 2.793 10 40 FFCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(N)=O)c4ccccc34)[C@@H]21 503972164 MFJYXBFXVVVVCA-OAQYLSRUSA-N 374.444 2.664 10 40 FFCB biogenic Cc1cc(C)c(N2C(=O)N=C(O)/C(=C\NN3CCCCC3)C2=O)c(C)c1 34236531 HXOVORPFMRVBMJ-RVDMUPIBSA-N 356.426 2.909 10 40 FFCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OC)c1 17086540 XKYWRUAWEOZAKH-GDNBJRDFSA-N 368.414 2.535 10 40 FFCB C[C@H](NC(=O)c1cccn2nnnc12)c1ccc(N2CCCCC2)cc1 19661958 RXJAWJMGYSGOIZ-AWEZNQCLSA-N 350.426 2.606 10 40 FFCB COc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c(OC)c1 4836771 YAILXFUFRFCLQB-OPMRDKFTSA-N 362.451 2.783 10 40 FFCB CC(C)COC(=O)CN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 4482891 RXANPJWALBXFSS-NTUHNPAUSA-N 351.449 2.793 10 40 FFCB CCc1cc2c(C)cc(=O)oc2c(CN2CCN(C(=O)C(C)C)CC2)c1O 14170988 POFDXUOSRPVHTM-UHFFFAOYSA-N 372.465 2.670 10 40 FFCB CSc1ccccc1N/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 408547082 SMUSQYRSQFIXCV-XFXZXTDPSA-N 357.391 2.576 10 40 FFCB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(N2CCOCC2)cc1 13669616 TZXUTHXZUHVJPQ-XBXARRHUSA-N 366.417 2.582 10 40 FFCB O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1ccc(F)cc1 5477854 ZXUOBIRVZOBWSK-LCYFTJDESA-N 359.407 2.767 10 40 FFCB COc1ccc(N2CCN(C[C@H](O)COc3cccc(C)c3C)CC2)cc1 22573219 MZDMBBZNOURPFJ-FQEVSTJZSA-N 370.493 2.874 10 40 FFCB COc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5097863 JQZZXQYNCTYDLB-HXUWFJFHSA-N 371.481 2.559 10 40 FFCB CN(C)c1ccc([C@H]2[C@H]3C(=O)NC(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 100557237 YVOKYPBRVIHUFV-IKGGRYGDSA-N 371.824 2.540 10 40 FFCB Cc1c(Cl)cccc1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C 4704226 XUMNBRNZQHVXBT-UHFFFAOYSA-N 357.797 2.805 10 40 FFCB COc1cccc(C2=N/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)O2)c1 96635094 KRPRBZMXRNSDMX-CPNJWEJPSA-N 364.401 2.876 10 40 FFCB COC(=O)Cc1c(C)c2ccc(O)c(CN3CCCCCC3)c2oc1=O 85875538 HLGBHZZASIOCCS-UHFFFAOYSA-N 359.422 2.899 10 40 FFCB biogenic Cc1cccc(-n2cccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 408965636 LBMPUMLNLQSPCX-UHFFFAOYSA-N 353.447 2.693 10 40 FFCB COc1ccc(N2CCCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 52465819 UINDBMZZNDHKHP-PXNSSMCTSA-N 359.514 2.902 10 40 FFCB Cc1cc(C)c(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c(C)c1 408991221 PVUDQXQYCGBALM-UHFFFAOYSA-N 364.401 2.940 10 40 FFCB COc1ccc(N(C)CCCNC(=O)c2cccc(OC)c2OC)cc1 225049809 QNEPXHYTXFRZJJ-UHFFFAOYSA-N 358.438 2.969 10 40 FFCB O=C(COC1CCCCC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 57176545 GMHZNJWPUQXORU-UHFFFAOYSA-N 364.461 2.752 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NCCc3ccccc3)C2=O)cc1C 6131731 HIEUQYZNRLSNJE-AQTBWJFISA-N 363.417 2.602 10 40 FFCB CC(=O)N[C@H](C(=O)NCCc1cc(C)n(-c2ccccc2)c1C)C(C)C 11085383 UESOZDUPCPHZQR-FQEVSTJZSA-N 355.482 2.914 10 40 FFCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1 17905862 YKTGCLRLQRYEJA-UHFFFAOYSA-N 351.156 2.993 10 40 FFCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC 33657851 NOPQFULJQGLESO-NTEUORMPSA-N 358.781 2.819 10 40 FFCB COc1cccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1OC(C)C 211657045 FFWFPPSMKXKMPC-KPKJPENVSA-N 367.448 2.768 10 40 FFCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NC[C@H](O)c1ccccc1 100149081 WKSGVWWQEIKBOW-RLGUWMIQSA-N 366.377 2.524 10 40 FFCB COc1cc2cc(C(=O)NCCc3ccc(O)c(O)c3)[nH]c2cc1OC 526052470 HVNFOVHQQWSNRD-UHFFFAOYSA-N 356.378 2.569 10 40 FFCB COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cccc(OC)c3)CC2)cc1 44948854 ZDVBBDKCCHVFHE-MRXNPFEDSA-N 370.449 2.820 10 40 FFCB O=S(=O)(NC1=NCCS1)c1ccc(/N=N/N2CCCCC2)cc1 866381 XPAPKYGPWIYDRK-FBMGVBCBSA-N 353.473 2.552 10 40 FFCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)O 9188400 MKIZWPDGLCQRBE-QPEQYQDCSA-N 367.448 2.768 10 40 FFCB Cc1c(C)c2ccc(O)c(CN[C@@H](Cc3ccccc3)C(=O)O)c2oc1=O 11866846 LNQHLDWJEICHGF-KRWDZBQOSA-N 367.401 2.901 10 40 FFCB biogenic COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 1192771 JRDXVHFORFPINK-XNTDXEJSSA-N 366.373 2.679 10 40 FFCB COc1ccc(N2CCN(C[C@H](O)COc3ccccc3C)CC2)cc1 22608940 INAITHUERKFASL-IBGZPJMESA-N 356.466 2.566 10 40 FFCB CCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)OC)C2=O)cc1 12635817 BMXBXUSYPUHEGJ-PEHNMLCRSA-N 351.449 2.848 10 40 FFCB C#CCOc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 107954180 ADBVRAAXLVAEMV-VBKFSLOCSA-N 352.777 2.813 10 40 FFCB O=C(O)c1cc(N2C(=O)/C(=C/c3ccncc3)SC2=S)ccc1O 16789987 BPZWBCDGHZNNPL-QPEQYQDCSA-N 358.400 2.891 10 40 FFCB CCOC(=O)CNC1=C2Sc3ncnc(OC)c3N=C2CC(C)(C)C1 36123178 MWAIDWRTNDJPCX-UHFFFAOYSA-N 362.455 2.848 10 40 FFCB COc1ccc(CN/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 100359757 SAAUFNFGJRBZER-LDADJPATSA-N 366.377 3.000 10 40 FFCB COC[C@@H](C)NC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 39612254 JVQCVEVRJCEPIW-GFCCVEGCSA-N 362.401 2.541 10 40 FFCB CCCn1nnnc1COC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 7082705 DNFKIHZMWLWLKI-UHFFFAOYSA-N 369.425 2.856 10 40 FFCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 56105715 RSBBQQVHEGGRHN-UHFFFAOYSA-N 363.439 2.920 10 40 FFCB COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1/SC(=S)N(C)C1=O 13691167 HSOXXMUXGRPVQL-IZZDOVSWSA-N 350.396 2.925 10 40 FFCB COC(=O)C1=CN(c2cccc(F)c2)c2cc(F)ccc2S1(=O)=O 64979202 TYFDHJMJIQRZTH-UHFFFAOYSA-N 351.330 2.905 10 40 FFCB O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1C(=O)c1cccnc1 32224878 YMDLMBFRGZXFEO-VGOFMYFVSA-N 370.411 2.852 10 40 FFCB COc1ccc(-c2n[nH]c(SCC(=O)c3ccc(O)c(O)c3)n2)cc1 6141647 ODLBKXPMMLGFKK-UHFFFAOYSA-N 357.391 2.867 10 40 FFCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc21 208182678 HAXGGOPHYLOGBF-LUHPIMIVSA-N 357.479 2.665 10 40 FFCB COC(=O)C1=CN(c2ccc(NC(C)=O)cc2)c2ccccc2S1(=O)=O 64979154 NDFXQHCGKNAYLW-UHFFFAOYSA-N 372.402 2.585 10 40 FFCB Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1-c1ccc(F)cc1 3569036 HNTAAZLSUMRILU-UHFFFAOYSA-N 368.368 2.645 10 40 FFCB CCOc1cccc(N2C(=O)/C(=C\c3cccs3)C(=O)NC2=S)c1 4471559 DSYQSWFYAQGDAR-UVTDQMKNSA-N 358.444 2.978 10 40 FFCB COC(=O)c1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 14199024 OYLWTWFYWDWYPK-GFAPJHNFSA-N 363.460 2.853 10 40 FFCB COc1ccccc1N/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408539175 UNVOTWWYHSEWGE-SDNWHVSQSA-N 365.389 2.891 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)c1 408850640 PZRQHZCVCJVREZ-MHWRWJLKSA-N 354.337 2.809 10 40 FFCB O=C1NC(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1 408808236 FQMXEHHSACDCLZ-UHFFFAOYSA-N 374.755 2.808 10 40 FFCB COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc(OC)c1O 12418363 XNVQAICAHZDMGD-QPEQYQDCSA-N 374.780 2.524 10 40 FFCB OCCN1CCN([C@@H](c2cccs2)c2ccc3cccnc3c2O)CC1 20507287 SAAMDLFHGJROHF-LJQANCHMSA-N 369.490 2.701 10 40 FFCB aggregator Cc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c(C)n1-c1ccccc1 9234968 YETZHKJFQFHIOR-CMDGGOBGSA-N 352.350 2.962 10 40 FFCB COc1ccc(N2CCN(C(=O)[C@@H](OC(C)=O)c3ccccc3)CC2)cc1 4058425 URQGUVRHWAIMNU-FQEVSTJZSA-N 368.433 2.648 10 40 FFCB CC(=O)N1[C@@H](C(=O)NCc2ccccc2)CS[C@H]1c1ccccc1O 4699322 GWZCUKQLWFSFPP-APWZRJJASA-N 356.447 2.671 10 40 FFCB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 2281158 SDZGFBYJQDRCTJ-SDNWHVSQSA-N 353.353 2.558 10 40 FFCB Cn1cc(/C=C2\SC(=S)NC2=O)c(-c2ccc3c(c2)OCCCO3)n1 9548499 WDUVGIHQHUAHIH-ZSOIEALJSA-N 373.459 2.737 10 40 FFCB O[C@@]1(c2ccc3c(c2)OCCO3)CN(c2ccccc2)C2=[N+]1CCCS2 3251966 ZANKEDHIBXGUSN-HXUWFJFHSA-N 369.466 2.629 10 40 FFCB Cc1cc(C)cc(COc2ccccc2C=C2C(=O)NC(=S)NC2=O)c1 408893449 GDYLTWNEVOCTPQ-UHFFFAOYSA-N 366.442 2.797 10 40 FFCB COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccccc3OC)CC2)cc1 57350874 UYGRNSDMEJIYJP-MRXNPFEDSA-N 369.465 2.853 10 40 FFCB Cc1ccc(N2C(=O)/C(=C/NN3CCCCCC3)C(O)=NC2=S)cc1 6922877 CLGATWZABYXBTN-NTCAYCPXSA-N 358.467 2.848 10 40 FFCB CCCN1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)NC1=S 15255202 YXNKROMIZDHDIM-POHAHGRESA-N 371.256 2.631 10 40 FFCB C[C@H](NCc1c(O)ccc2c(=O)c(Oc3ccccc3)coc12)C(=O)O 19702943 NTFZCLCPHOBFSK-NSHDSACASA-N 355.346 2.854 10 40 FFCB biogenic Oc1cc2c(cc1O)[C@@H](c1cc3c(cc1Br)OCO3)NCC2 16383572 KAFQORVSJQYSJB-INIZCTEOSA-N 364.195 2.824 10 40 FFCB Nc1ccccc1C(=O)n1nc(N)c(/N=N\c2ccc([N+](=O)[O-])cc2)c1N 100643958 CWTFKIQLIZZAIF-MRCUWXFGSA-N 366.341 2.642 10 40 FFCB COc1cc(C(C)=O)ccc1OCC(=O)NCc1ccc(N(C)C)cc1 8726033 VBZNEUGDEQZHCY-UHFFFAOYSA-N 356.422 2.659 10 40 FFCB CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 52807073 YZYIHSWAQKJKAQ-GOSISDBHSA-N 357.498 2.798 10 40 FFCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1O 6222216 UNOKVWBVCZEDCG-UKTHLTGXSA-N 358.806 2.877 10 40 FFCB O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1C[C@H]1CCCO1 409077690 FIYDEIYDQJVLRK-QVASGMJFSA-N 366.420 2.681 10 40 FFCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)cc1C 13895978 ZLWLGDPVSRFLKF-YVLHZVERSA-N 351.406 2.803 10 40 FFCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C1\C(=O)Nc2ccccc21 5373284 ZMWJMCGOAFMNLX-YPKPFQOOSA-N 365.370 2.790 10 40 FFCB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S 6080782 FLFCFEDTFZSJEA-KAQJVSAMSA-N 367.448 2.768 10 40 FFCB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc(F)c(F)c1 8361886 UHGCCSXJSYYJJX-UHFFFAOYSA-N 362.376 2.846 10 40 FFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1O 408893843 GGVPBUDUUUPLFQ-NTEUORMPSA-N 366.373 2.684 10 40 FFCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccncc1 33664955 YLAGNAJAQDYZMW-UYRXBGFRSA-N 358.401 2.951 10 40 FFCB N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(N3CCCC3)=NN12 41084943 PEBTXKQXKZTRQG-CXHQGSNTSA-N 364.434 2.840 10 40 FFCB COCCn1c2c(c3ccc(OC)c(OC)c3c1=O)C(=O)c1ccccc1-2 604403915 DKMDSEUHVIRKGC-UHFFFAOYSA-N 365.385 2.877 10 40 FFCB biogenic CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)ccc1O 820845 OBFYRQCECCGVGB-ZDUSSCGKSA-N 369.215 2.688 10 40 FFCB COc1ccc(NC(=S)N2CCN(c3ccc4c(c3)OCO4)CC2)cc1 408585799 JKBLNUMUJFROIG-UHFFFAOYSA-N 371.462 2.943 10 40 FFCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O 409228244 WHZKRBCOLPIUIR-ZRDIBKRKSA-N 359.838 2.993 10 40 FFCB CC[C@@H](C)Cn1c(C)c2c(cc1=O)N[N@@H+](c1nc3ccccc3s1)C2=O 669516778 YZVZFGKBBHGZOI-LLVKDONJSA-O 369.470 2.510 10 40 FFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cccc(O)c3)S2)CC1 1183927 RVBSBSGSHNADCP-PTNGSMBKSA-N 360.435 2.638 10 40 FFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1O 19202845 DUBQXDRETSIORI-LCYFTJDESA-N 359.179 2.616 10 40 FFCB Cn1cccc1/C=C1/SC(=S)N(NC(=O)Cc2ccccc2)C1=O 5551857 SLSJQXXVMUCOFM-SDNWHVSQSA-N 357.460 2.500 10 40 FFCB Cc1cc(O)ccc1N/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 6076152 IQUYTKVMZJHNIH-ZROIWOOFSA-N 371.780 2.933 10 40 FFCB COc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)cc1 8139006 LRQDPHJFHWJSRW-UHFFFAOYSA-N 362.433 2.843 10 40 FFCB CN1CCCc2cc(CNC(=O)N[C@H]3CCCc4c3cnn4C)ccc21 69725280 YDVZOVXQWGLVKO-KRWDZBQOSA-N 353.470 2.679 10 40 FFCB CCc1cc2c(oc(=O)c3ccccc32)c(CN2CCN(C)CC2)c1O 19790606 NLJZFUFPTJYGMC-UHFFFAOYSA-N 352.434 2.962 10 40 FFCB CCc1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 34145494 JFCMLYGBBIEWNG-JCOXHHPGSA-N 353.451 2.921 10 40 FFCB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Br)cn1)C(=O)C2=O 100628767 QYLRKFJKZWAAJG-HZPDHXFCSA-N 365.227 2.747 10 40 FFCB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)OCO2 2512856 UFVSLXWVQOYMNY-UHFFFAOYSA-N 356.743 2.778 10 40 FFCB COc1ccc(N2CCN(C(=O)CSc3nc(C)cc(C)n3)CC2)cc1 2653992 MZIBQGYCRIFFTR-UHFFFAOYSA-N 372.494 2.543 10 40 FFCB COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1O 409140250 QILJOKMLIDFHHJ-GDNBJRDFSA-N 354.387 2.801 10 40 FFCB O[C@]1(c2ccccc2)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 19369762 JNPUGNYWFWNLIW-OAQYLSRUSA-N 356.441 2.756 10 40 FFCB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(N3CCCCC3)cc2)s1 105741270 IIGHWTCRFZQPHL-QPOYRMPTSA-N 370.518 2.651 10 40 FFCB Nc1nonc1/N=N/N(Cc1ccc(Cl)cc1Cl)c1nonc1N 8403799 BJUHUOKYCCQRSX-LTGZKZEYSA-N 370.160 2.629 10 40 FFCB CC1=NN(C(=O)c2cccnc2)C(=O)[C@@H]1/N=N\c1ccc([N+](=O)[O-])cc1 100643937 HRUNYCIRHVONQT-ORIGZDJFSA-N 352.310 2.501 10 40 FFCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 408806301 IQIHZXNGQXOQQU-SFQUDFHCSA-N 366.373 2.847 10 40 FFCB O=C(NN1C(=O)/C(=C\c2ccccc2)SC1=S)c1ccccc1O 1236348 XCZNMNROVOIHOT-GXDHUFHOSA-N 356.428 2.938 10 40 FFCB CC1=CC(C)(C)N(C)c2cc(C)c(C=C3C(=O)NC(=S)NC3=O)cc21 113813627 KZPUMRHZCUPZPP-UHFFFAOYSA-N 355.463 2.541 10 40 FFCB CCn1c(=O)c(C2=NNC(=O)/C2=C\c2ccccc2)c(O)c2ccccc21 101513922 KITIWURJPVFXCV-QINSGFPZSA-N 359.385 2.645 10 40 FFCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OC(=O)c1ccco1 33732255 KAZKHDJANSRPRU-DTQAZKPQSA-N 374.352 2.960 10 40 FFCB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)nc(C)n4C)CC2)cc1 225894236 IPLIXAWSNZFKKP-UHFFFAOYSA-N 364.449 2.853 10 40 FFCB COc1ccc(OC)c(N2C[C@](O)(c3ccccc3)[N+]3=C2SCCC3)c1 13524455 KHUULORLABYCOR-FQEVSTJZSA-N 371.482 2.875 10 40 FFCB CC(C)CNc1cc(NCCO)c2c(c1N)C(=O)c1ccccc1C2=O 5452410 AICKEIBYNFJMOS-UHFFFAOYSA-N 353.422 2.516 10 40 FFCB CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 408963223 AYXPDMGXXYVUBX-MHWRWJLKSA-N 355.369 2.930 10 40 FFCB Cc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)n1-c1ccccc1 5622640 VCPRVAARYYTBGL-UHFFFAOYSA-N 371.437 2.875 10 40 FFCB COc1ccc(N2C(=O)NC(=O)/C(=C/C=C/Nc3ccccc3)C2=O)cc1 4834356 NQZDSRHGZYFTQL-DSIZIARHSA-N 363.373 2.830 10 40 FFCB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=C1\C(=O)NC(=O)N(C)C1=O 408757459 NNHWYDNVCSRNTH-GZTJUZNOSA-N 374.400 2.734 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(Cl)cn3)C2=O)c(C)c1 408533578 OLBQRNHPSXLPRC-UKTHLTGXSA-N 370.796 2.931 10 40 FFCB Cc1cccc(N2C(=O)/C(=C\NN3CCCCCC3)C(O)=NC2=S)c1 34236858 KYJYFBNRYSBNEX-QINSGFPZSA-N 358.467 2.848 10 40 FFCB Cc1n[nH]c(C)c1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 10517512 UBYZSRUUBIKGCH-UHFFFAOYSA-N 362.499 2.838 10 40 FFCB CCOc1cc(/C=C2\SC(=S)N([C@@H](CC)C(=O)O)C2=O)ccc1O 1806904 ZOTFGTNTTRFCIK-AAIQCTMTSA-N 367.448 2.855 10 40 FFCB O=C1N=C(S)N(C2CC2)C(=O)/C1=C\Nc1cccc(C(F)(F)F)c1 102515872 URXPUCKQUBJZFG-XFFZJAGNSA-N 355.341 2.818 10 40 FFCB CCN1C(=O)/C(=C\N2CCN(c3ccc(F)cc3)CC2)SC1=S 4702746 SLEXBVZSAYQLSM-SDNWHVSQSA-N 351.472 2.669 10 40 FFCB COc1cc(-c2nc(COc3ccc(N)cc3)n[nH]2)cc(OC)c1OC 64873714 RNFDSAHWOYOVGX-UHFFFAOYSA-N 356.382 2.659 10 40 FFCB CN1CCN(c2ccc(-c3nccn3-c3ccc4n[nH]nc4c3)cc2)CC1 67675200 VOBHLUXKICDEBP-UHFFFAOYSA-N 359.437 2.562 10 40 FFCB CCN(C[C@H](O)CO)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c(C)c1 5139622 COCWIIAFGQLMGS-HNAMICAMSA-N 365.415 2.955 10 40 FFCB in-vitro COc1c2c(cc3c1[C@H](c1ccc(O)c(C(C)=O)c1O)N(C)CC3)OCO2 20113714 UZCMWPRPOSCPGR-KRWDZBQOSA-N 371.389 2.615 10 40 FFCB biogenic CSc1nc(O)c2[n+](n1)[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 27232998 HFTPLINAFHMTBA-QGZVFWFLSA-O 366.470 2.897 10 40 FFCB CCCCNc1cc(NCCO)c(N)c2c1C(=O)c1ccccc1C2=O 6664898 JYOTVSJRVRUAAL-UHFFFAOYSA-N 353.422 2.660 10 40 FFCB COC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1166056 CRUKSGZNMHWGHY-JYRVWZFOSA-N 365.432 2.570 10 40 FFCB COc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 4118171 UEQGRKUHNFLXEZ-BMWAZNHVSA-N 354.313 2.877 10 40 FFCB CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@H]3c3ccccc3)nc12 103246404 UDDQLHGXLGVKEO-KRWDZBQOSA-N 366.421 2.949 10 40 FFCB Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] 10113278 XCUWPDLYOBLOKU-UHFFFAOYSA-N 355.394 2.670 10 40 FFCB Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1 409391720 JPPIULVWRALCBC-QGOAFFKASA-N 372.384 2.847 10 40 FFCB COC(=O)c1ccc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 16732165 OYLWTWFYWDWYPK-FYQHACEVSA-N 363.460 2.853 10 40 FFCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 409394089 VMISYSUORWPWSN-LFIBNONCSA-N 351.362 2.535 10 40 FFCB Cc1c(CNC(=O)N2CCC[C@@H](n3ccnn3)C2)n(C)c2ccccc12 566139103 YSPJHSHWXRJMQN-OAHLLOKOSA-N 352.442 2.625 10 40 FFCB CCOc1cc(-c2cc(-c3cccc(O)c3O)nn2CCO)ccc1O 257340779 ZHNNBDTXUYCJIA-UHFFFAOYSA-N 356.378 2.725 10 40 FFCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)NC2=S)c(C)c1 664789 QZVNUJQTHTYOHM-GXDHUFHOSA-N 369.446 2.794 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1 1192768 ZYSCZVQIXITRLS-MHWRWJLKSA-N 366.373 2.679 10 40 FFCB COc1ccc(N2CCN(C(=O)Cc3cc(OC)ccc3OC)CC2)cc1 22251064 ACWPZEGOGFIAFD-UHFFFAOYSA-N 370.449 2.604 10 40 FFCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(N2CCOCC2)cc1 96759399 UMGWTNQKNCJPCN-SAPNQHFASA-N 357.479 2.979 10 40 FFCB Cc1cccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097844 CFEXZFANCJDMCQ-FQEVSTJZSA-N 355.482 2.859 10 40 FFCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccccn1 6719129 IUSGGACHPVGPFC-SAPNQHFASA-N 350.447 2.874 10 40 FFCB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc(Br)c1O 2282142 JDUWYVKCLZYGDF-LBPRGKRZSA-N 369.215 2.688 10 40 FFCB COc1cccc(-n2cnnc2SCC(=O)c2ccc(O)c(O)c2)c1 5895446 XGMOJQNGXJNWFB-UHFFFAOYSA-N 357.391 2.662 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)c1nc2sccn2c1[N+](=O)[O-] 8375691 MIBXTEIQLORHQP-UHFFFAOYSA-N 373.438 2.777 10 40 FFCB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 409392406 METNQDVBNVGIFG-QGOAFFKASA-N 372.384 2.847 10 40 FFCB O=C(C[C@@H](NCCCO)C(=O)O)Nc1ccc(/N=N\c2ccccc2)cc1 101090846 BSOQQEWSEPKCKX-LBNMDVIHSA-N 370.409 2.856 10 40 FFCB Cc1nn(CCO)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(N(C)C)cc2)C1 8623917 RTWJHQVHJIPSDH-RTBURBONSA-N 354.498 2.760 10 40 FFCB biogenic,in-vitro O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 1850462 IYQWWUOJGGFIRP-XYOKQWHBSA-N 353.787 2.551 10 40 FFCB COc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1O 9434615 RINDGSINVVKNSS-LYVGZQGXSA-N 368.374 2.661 10 40 FFCB Cc1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1 3072396 WVYOALOYOODTMW-HQQGHWSLSA-N 365.432 2.514 10 40 FFCB O=C(O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1225534 VQEGBPLWBGWJNY-WEVVVXLNSA-N 358.238 2.735 10 40 FFCB CCOc1cc(/C=C2\SC(=S)N([C@H](CC)C(=O)O)C2=O)ccc1O 1806908 ZOTFGTNTTRFCIK-GARZTLJTSA-N 367.448 2.855 10 40 FFCB CCCCN1C(=O)NC(=O)/C(=C\Nc2ccc(N(CC)CC)cc2)C1=O 100966785 ZTVDIGUACRWWPO-DTQAZKPQSA-N 358.442 2.707 10 40 FFCB CN(C)c1ccc(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 54796897 XAZWDXWRMDKDGY-KXBFYZLASA-N 364.511 2.567 10 40 FFCB Nc1ccccc1N/C=C1\C(=O)NC(=S)N(CCC2=CCCCC2)C1=O 17247039 IVFGLEOENBHNAA-WYMLVPIESA-N 370.478 2.698 10 40 FFCB Cc1ccc(Cl)c(OCC(=O)NCc2cc([N+](=O)[O-])ccc2O)c1 14139011 NLWHXGSKOBMJJH-UHFFFAOYSA-N 350.758 2.957 10 40 FFCB CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCC)c1 409400225 QPYQUUMZAGHIEX-ATVHPVEESA-N 352.390 2.945 10 40 FFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(O)cc3)S2)CC1 1789480 ZDWHCUWPXUYJEF-PTNGSMBKSA-N 360.435 2.638 10 40 FFCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NCCc3ccccc3)C2=O)c1 408531744 LKXCKRVAPUMFLT-GHRIWEEISA-N 363.417 2.602 10 40 FFCB CCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2nsnc12 792241 TYNNKELNULKWKR-UHFFFAOYSA-N 363.420 2.605 10 40 FFCB CN(C)c1ccc([C@H](N)CC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1 3846608 YODMIDWNSCQEPQ-MRXNPFEDSA-N 365.433 2.583 10 40 FFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1 1242119 NXEKOMDYPFZZOK-JYRVWZFOSA-N 351.449 2.848 10 40 FFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 59426678 JKSAXROJDSPFOT-UKTHLTGXSA-N 371.736 2.915 10 40 FFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(C)s3)CC2)cc1 3555430 CDTKPOHWBLPKHU-UHFFFAOYSA-N 374.462 2.571 10 40 FFCB C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(NC(N)=O)cc1 79602411 NGAICXLJCFEBFT-ZDUSSCGKSA-N 355.442 2.804 10 40 FFCB COc1ccc(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C 223126813 ZTBQKRJYXXGHDH-UHFFFAOYSA-N 367.493 2.614 10 40 FFCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 409374045 YCKIZCXYCWRQQO-MHWRWJLKSA-N 354.362 2.729 10 40 FFCB Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/N3CCCC3)cc2)n1 850352 LJPMGJGDICTOKF-XUTLUUPISA-N 360.443 2.989 10 40 FFCB Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1 25748056 KYHVRIJQBXDWRH-UHFFFAOYSA-N 355.482 2.935 10 40 FFCB COc1cccc(CN2CCc3nc4c(C)csc4c(=O)n3CC2)c1O 19240327 IMXRSGUMLRVXFP-UHFFFAOYSA-N 371.462 2.539 10 40 FFCB Cc1nc([C@@H]2CCN(Cc3ccc(N4CCCC4)c(F)c3)C2)cc(=O)[nH]1 19285233 MLFPYCIYWNITSI-MRXNPFEDSA-N 356.445 2.807 10 40 FFCB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 12609443 YDACXTXRIAGTMQ-UHFFFAOYSA-N 374.506 2.961 10 40 FFCB O=C1NC(=S)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(F)cc1 5626384 OHNBSZLLTQXGON-GDNBJRDFSA-N 355.394 2.565 10 40 FFCB CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(O)cc3)S2)C1 4619960 YPXFGONQVCSUHQ-QQFZQELXSA-N 360.435 2.638 10 40 FFCB C=CCOc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33580686 VWGGGCMJAAKUDO-AQTBWJFISA-N 363.417 2.779 10 40 FFCB Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1-c1cccc(F)c1 12475903 BTWQWUYSAAVXPX-UHFFFAOYSA-N 372.425 2.874 10 40 FFCB aggregator O=C(Nc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1)C1CC1 28251214 NAWHCXVIFDMPFA-UHFFFAOYSA-N 374.447 2.841 10 40 FFCB O=C(O)CN1C(=O)/C(=C\c2ccc(Br)s2)SC1=S 6210126 XQVZRDORJGVRDZ-ZZXKWVIFSA-N 364.267 2.796 10 40 FFCB COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 1192774 CGOHQCSQPUFAJX-LFIBNONCSA-N 366.373 2.679 10 40 FFCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCCC1 59489886 NBZQBZHSRCUKMR-UHFFFAOYSA-N 372.377 2.949 10 40 FFCB C[C@H]1CCc2c(sc(NS(=O)(=O)c3cccc(F)c3)c2C(N)=O)C1 7409932 IYTJXSWWEVMOCV-VIFPVBQESA-N 368.455 2.912 10 40 FFCB Cc1ccc(N2C(=O)/C(=C/c3cc(C(=O)O)nn3C)SC2=S)cc1 1776004280 OIMZCXWSRPNDGI-JYRVWZFOSA-N 359.432 2.833 10 40 FFCB O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccccc1O 6192436 AEHKRWVEEOJQDV-XYOKQWHBSA-N 362.457 3.000 10 40 FFCB CC(=O)N1CCc2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc21 33231739 QZCBANNJGPTDBN-UHFFFAOYSA-N 351.450 2.934 10 40 FFCB COc1ccccc1/N=N/[C@@H](C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 100051623 BWCSCOGVOJAQRL-LSJZCYCUSA-N 367.365 2.545 10 40 FFCB Cc1cccc(-c2nc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n3n2)c1 26533800 TXZHVSREXQGPCG-SFQUDFHCSA-N 362.458 2.740 10 40 FFCB CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(O)cc3)S2)C1 1885809 YPXFGONQVCSUHQ-NWFCWYBLSA-N 360.435 2.638 10 40 FFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(C(=O)O)cc3)C2=O)c1 4704494 REEFZOZNVZTUQC-YBEGLDIGSA-N 364.357 2.668 10 40 FFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(O)cc3)S2)CC1 5598165 ZDWHCUWPXUYJEF-RVDMUPIBSA-N 360.435 2.638 10 40 FFCB CC1=NN(c2ccc3nnc(C)n3n2)C(=O)/C1=C/Nc1cccc(Cl)c1 36358198 XVZROVRXQUFJSJ-NTEUORMPSA-N 367.800 2.805 10 40 FFCB Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1 42123793 PTZQUFHIPADLQV-GOSISDBHSA-N 364.442 2.540 10 40 FFCB C[C@@H](NC(=O)c1c[nH]c2ncccc12)c1ccc(N2CCOCC2)cc1 68529922 YCBRAQWGVUMAOI-CQSZACIVSA-N 350.422 2.891 10 40 FFCB Cc1c(CC(=O)N(C)Cc2ccccc2)c(=O)oc2c(O)c(O)ccc12 8764316 LEMOLXHDCRSYRS-UHFFFAOYSA-N 353.374 2.714 10 40 FFCB biogenic Cc1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)c(C)n1-c1cccc(C(C)C)c1 50847572 SKOAQOYLTSMPRO-LJQANCHMSA-N 369.465 2.544 10 40 FFCB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 33323167 IZTBRFOEVQMEJC-XNTDXEJSSA-N 370.455 2.867 10 40 FFCB COc1cccc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 54178923 BHJZWRUJPMCPCR-GOSISDBHSA-N 353.466 2.687 10 40 FFCB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 100363613 YTOJHJNIIQVFNF-JLHYYAGUSA-N 371.780 2.927 10 40 FFCB COc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 107712215 PJWLEMICXHWXJL-JXMROGBWSA-N 367.405 2.965 10 40 FFCB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(Cc2cc(C)cc(C)c2)c1 408883478 REXBWFDPEVHEAA-UHFFFAOYSA-N 364.401 2.652 10 40 FFCB CC(/C=C1\SC(=S)N(CCS(=O)(=O)O)C1=O)=C\c1ccccc1 4291565 QLUGXACALWHQNS-QXGKOBNPSA-N 369.489 2.722 10 40 FFCB COc1ccc(N2CCN([C@@H](c3nnnn3C(C)(C)C)C(C)C)CC2)cc1 57669731 RVWSTYPVFYIIDI-GOSISDBHSA-N 372.517 2.956 10 40 FFCB COc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)cc(Cl)c1OC 36386858 LDRCIKHDPVENSX-UHFFFAOYSA-N 366.757 2.901 10 40 FFCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 4471910 NCUTXPFCZWXANS-PTNGSMBKSA-N 369.352 2.685 10 40 FFCB COc1ccc(N2CCN(C(=O)CN[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 102362574 PGCRIIMGDBKTRY-NTLWEQJWSA-N 371.525 2.758 10 40 FFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(C(=O)O)cc1 107655099 AFPFNUFTNWJEFF-AQTBWJFISA-N 373.368 2.637 10 40 FFCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408805346 AICFWKMITUGCJP-LFIBNONCSA-N 366.373 2.760 10 40 FFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)o3)C2=O)cc1 408981787 BUFUEEHFBUBZTN-PTNGSMBKSA-N 353.378 2.574 10 40 FFCB CN1C=CC(=Cc2sc3ccccc3[n+]2CCCS(=O)(=O)O)C=C1 19913281 NUXIHKSLFOTTPZ-UHFFFAOYSA-O 363.484 2.823 10 40 FFCB CC(C)c1ccccc1N/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 106344648 YAXWYEIKOQOFEA-GDNBJRDFSA-N 353.378 2.977 10 40 FFCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCC(=O)O 408530689 NBRQGAISQZGUKA-YHYXMXQVSA-N 373.839 2.691 10 40 FFCB C[C@]12CCC[C@H](O1)c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2 6067604 RYFFZJHGQCKWMV-YUNKPMOVSA-N 368.341 2.929 10 40 FFCB biogenic,in-vitro Nc1ccccc1N/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 6896531 GXVDGLYHVXQMDR-WYMLVPIESA-N 354.410 2.534 10 40 FFCB CC(C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 33551731 HVSSJSJKCIRBDQ-PTNGSMBKSA-N 367.361 2.843 10 40 FFCB COCCn1c(-c2ccc(Br)cc2)cnc1SCC(N)=O 44085283 JBFZESRDZLMATK-UHFFFAOYSA-N 370.272 2.536 10 40 FFCB Cn1cc(C(=O)NC2CCN(Cc3c(O)ccc4ccccc34)CC2)cn1 54520593 ZFLIXTLXZSGTNC-UHFFFAOYSA-N 364.449 2.673 10 40 FFCB CN(C)c1ccc(CN2CCc3c(O)nc(-c4ccccn4)nc3C2)cc1 19584985 GHUPMDDLVSUTDR-UHFFFAOYSA-N 361.449 2.869 10 40 FFCB COc1ccc(N2CCN(C[C@@H](O)COc3cccc(C)c3)CC2)cc1 23230558 PCYHASPWAOAJLJ-LJQANCHMSA-N 356.466 2.566 10 40 FFCB COc1c(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Cl 59139425 IOPFPNWIQVKCRR-UHFFFAOYSA-N 359.234 2.601 10 40 FFCB Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)cc1 13533338 RATZDOHZWMHEGW-ZROIWOOFSA-N 355.444 2.936 10 40 FFCB CN1C(=O)C(=CNc2ccc(C(F)(F)F)cc2Cl)C(=O)N(C)C1=O 6413610 BHRHUTVTOKNOTH-UHFFFAOYSA-N 361.707 2.705 10 40 FFCB CC(C)c1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 408547102 WBACTCPIJBOEIU-YBEGLDIGSA-N 353.378 2.977 10 40 FFCB Cc1cc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccccc1 3460710 YALMEEAPLJMRRU-HZPDHXFCSA-N 370.449 2.887 10 40 FFCB Cc1ccccc1/C=C1/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O 27530431 LIQICRUPUCEYTG-OYGDSYQHSA-N 365.432 2.514 10 40 FFCB CC(=O)N1[C@@H](C(=O)NCc2ccccc2)CS[C@@H]1c1ccccc1O 4699320 GWZCUKQLWFSFPP-VQIMIIECSA-N 356.447 2.671 10 40 FFCB CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O 409394198 XBFPGPCPCATDLS-RVDMUPIBSA-N 351.362 2.535 10 40 FFCB COc1ccc(N2CCOC[C@@]3(CCCN(C(=O)C4(F)CC4)C3)C2)cc1 1614973534 SNNBGQRLNWYKAX-IBGZPJMESA-N 362.445 2.643 10 40 FFCB CCOC(=O)c1[nH]ncc1/C=C1/CCn2c1nc1sc(C)c(C)c1c2=O 79093546 PDANSOHCDUSZHV-XFFZJAGNSA-N 370.434 2.919 10 40 FFCB Cc1ccnc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=S)N=C3O)c2C)c1 9090057 DQJMMOQRQNVZOF-NTEUORMPSA-N 354.435 2.894 10 40 FFCB COc1ccc(N2CCN([C@@H](CNC(=O)C(C)C)c3ccco3)CC2)cc1 56946245 HSKMEQNIEKCVFV-IBGZPJMESA-N 371.481 2.924 10 40 FFCB CC1=NN(c2ccc3nnc(C)n3n2)C(=O)/C1=C/Nc1ccccc1Cl 36354647 IFFSLYBVOZBQJA-FMIVXFBMSA-N 367.800 2.805 10 40 FFCB CCN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S 1260372 DPSCUYZYNOTDOF-MDZDMXLPSA-N 369.265 2.993 10 40 FFCB COc1ccc(CN2CCc3c(O)nc(-c4ccncc4)nc3C2)c(O)c1 19551840 YHVFMYSTDUWSIF-UHFFFAOYSA-N 364.405 2.517 10 40 FFCB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CCOCC1 58429539 DAQRJFNNHFPHDJ-UHFFFAOYSA-N 372.387 2.585 10 40 FFCB CC1=NN(C(=O)c2ccccc2)C(=O)[C@H]1/N=N\c1ccccc1C(=O)O 104280399 OINAKONFDMULMT-DNTCVELPSA-N 350.334 2.896 10 40 FFCB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2O)N3)C1 6732644 AUEZELBAMVKWSY-HNNXBMFYSA-N 373.434 2.822 10 40 FFCB COc1ccc(N2CCN(C[C@H](O)COc3cc(C)cc(C)c3)CC2)cc1 85842851 ANHRWVDCNNUDFZ-FQEVSTJZSA-N 370.493 2.874 10 40 FFCB CCCOC(=O)CN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 1809309 ASSXEFMCEDWBKU-WQLSENKSSA-N 366.420 2.749 10 40 FFCB COc1cccc(/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)c1OC 4557517 SHMHWMPRDAIDAB-CTNOEMEISA-N 362.451 2.783 10 40 FFCB COc1ccccc1-c1nnc2n1N=C(c1ccc(O)c(O)c1)CS2 13127502 PKVPLCVGALGTGK-UHFFFAOYSA-N 354.391 2.723 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(OC)c1 408908337 BTTVDUJRTMQNCJ-OVCLIPMQSA-N 370.336 2.509 10 40 FFCB Oc1cc2c(cc1O)[C@H](c1cc3c(cc1Br)OCO3)NCC2 16383569 KAFQORVSJQYSJB-MRXNPFEDSA-N 364.195 2.824 10 40 FFCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 1908831 HLQAKKHIUSBBNN-LCYFTJDESA-N 351.449 2.850 10 40 FFCB O=C1/C(=C\NNc2ccccc2)C(O)=NC(=S)N1Cc1ccc(F)cc1 38168333 FJXYIPWPMYEDLZ-GDNBJRDFSA-N 370.409 2.910 10 40 FFCB COc1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)cc1C 224525522 KJIUOABANKXIPM-UHFFFAOYSA-N 354.450 2.699 10 40 FFCB CCOC(=O)N1CCN(/C=C2\SC(=S)N(CCC(C)C)C2=O)CC1 30819361 ZLKZTNJFEILOED-QBFSEMIESA-N 371.528 2.508 10 40 FFCB CC1=NN(C(=O)c2cccnc2)C(=O)[C@H]1N=Nc1ccc([N+](=O)[O-])cc1 253484501 HRUNYCIRHVONQT-AWEZNQCLSA-N 352.310 2.501 10 40 FFCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S 5371272 NELOBUKJBXEGPQ-AAIQCTMTSA-N 367.448 2.942 10 40 FFCB COCCOC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1792294 AOYIBUOYOCWVMW-AVMBBCFPSA-N 369.439 2.605 10 40 FFCB CCN(CC)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(O)c1 59514404 FOBWOYUNQSKMFZ-NTUHNPAUSA-N 366.464 2.524 10 40 FFCB COC(=O)c1cc2ccccc2c(CN2CCC[C@H](CCC(N)=O)C2)c1O 66080426 BNXKTPKWYWQKKT-CQSZACIVSA-N 370.449 2.810 10 40 FFCB COc1ccc(N2CCN(C(=O)c3ccc4c(c3)ncn4C)CC2)cc1 225892255 WNFXYUAFIQXPND-UHFFFAOYSA-N 350.422 2.544 10 40 FFCB CN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 53914622 MLKWWAUOQCLQJC-UHFFFAOYSA-N 355.362 2.661 10 40 FFCB C[C@H](c1c(O)ccc2c1OCC2=O)N1CCN(C(=O)OC(C)(C)C)CC1 206047212 VOVKCPHRLBTVTP-GFCCVEGCSA-N 362.426 2.581 10 40 FFCB O=C(O)CN1C(=O)/C(=C\c2ccccc2Br)SC1=S 974181 AOUHPDJAMKBCFJ-WEVVVXLNSA-N 358.238 2.735 10 40 FFCB CC[C@@H](C)[C@@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 6830055 UYFNOTJIQGIEIF-PIGZYNQJSA-N 359.422 2.966 10 40 FFCB COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)C=[N+]=[N-])c1 5729304 ZBZHJLOCLMHVCE-UHFFFAOYSA-N 365.798 2.633 10 40 FFCB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)ccc1O 5952740 WOMLQRHGMNECKX-LBPRGKRZSA-N 371.256 2.511 10 40 FFCB Cc1cc([N+](=O)[O-])cc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1O 12659848 CTIPGICZGLESJX-NVXWUHKLSA-N 367.361 2.778 10 40 FFCB biogenic O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1cccnc1 408530582 JGVUIYRAAXSROB-FOWTUZBSSA-N 358.357 2.814 10 40 FFCB COc1cccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 225764322 UNHQUNLELFKVMK-UHFFFAOYSA-N 354.454 2.769 10 40 FFCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccccc1S(=O)(=O)O 100244808 MPYKTAKYPNUACE-BQASMSSTSA-N 358.379 2.808 10 40 FFCB COc1ccc(N2CCN([C@@H](C)C(=O)NCC3CCCCC3)CC2)cc1 58161254 SMFJOPNZQOBSJL-KRWDZBQOSA-N 359.514 2.902 10 40 FFCB COc1ccc(N2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 4561147 PZEXPSITIKDALD-UHFFFAOYSA-N 355.394 2.874 10 40 FFCB CC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 408532963 IXKFEIYNYSXJNZ-PTNGSMBKSA-N 364.357 2.587 10 40 FFCB COc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1OC 1297903 IJWKSBPTJQMUHJ-UKTHLTGXSA-N 367.448 2.770 10 40 FFCB CCOc1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 6600728 QQJQLBUXMAGVFT-ATVHPVEESA-N 365.389 2.973 10 40 FFCB COc1ccc(N2CCN(C(=O)NCc3cccc(OC)c3)CC2)cc1 7986633 QZRIBRMEOSQGJN-UHFFFAOYSA-N 355.438 2.736 10 40 FFCB Cc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)nc1 225777402 AQEZSTFGGKLZGY-UHFFFAOYSA-N 355.511 2.628 10 40 FFCB COc1ccccc1/C=C1/C(=N)N2N=C(c3ccco3)SC2=NC1=O 41076775 QMIUJSAVTPPTFP-OTJYAJGDSA-N 352.375 2.956 10 40 FFCB CCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1OC 967078 PGEWGMAWJYNRBY-PGEKAQRJSA-N 367.448 2.768 10 40 FFCB CN(C)c1ccc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 254760390 ZLTKLYFKNRAQLX-UHFFFAOYSA-N 366.421 2.571 10 40 FFCB CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OC 3300233 KYLVWRCHXQIXCL-UKTHLTGXSA-N 367.448 2.770 10 40 FFCB CC(C)(C)NC(=O)CN1CCN(Cc2c(O)ccc3ccccc23)CC1 20633972 MMRUBZMSOSLJLY-UHFFFAOYSA-N 355.482 2.578 10 40 FFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1coc2ccc(Cl)cc2c1=O 16956923 MRGNXGNQNABPBZ-NVNXTCNLSA-N 366.760 2.908 10 40 FFCB COc1ccc(N2CCN(C(=O)CN[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 102362580 PGCRIIMGDBKTRY-RYLXDESZSA-N 371.525 2.758 10 40 FFCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccccc1Cl 408994587 GSBSAFGCGDSORD-LCYFTJDESA-N 357.797 2.839 10 40 FFCB C[C@H]1CCC[C@H](N/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@@H]1C 20462964 XJMUZMBWWFXJKP-DERFLQBDSA-N 355.438 2.563 10 40 FFCB Cc1ccc(N2C(=O)/C(=C/c3ccncc3)C(=O)NC2=S)cc1Cl 408820127 VJHKHCCKXOJMCE-MDWZMJQESA-N 357.822 2.875 10 40 FFCB CCC(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946241 WVZQIEFLBZQXFG-SFHVURJKSA-N 357.454 2.678 10 40 FFCB CCOC(=O)c1cc(N)ccc1N1CCN(c2ccc(OC)cc2)CC1 225489724 OLFPWQIHOMQTIR-UHFFFAOYSA-N 355.438 2.781 10 40 FFCB Cc1ccc2nsnc2c1S(=O)(=O)Nc1cccc2nsnc12 3011936 KOLIKVQLPZTLCK-UHFFFAOYSA-N 363.449 2.805 10 40 FFCB COc1ccc(C(=O)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 4891505 QXCBKMMPXQYFNB-UHFFFAOYSA-N 360.278 2.586 10 40 FFCB NC(=O)[C@H]1CCCN(c2ccc(CNc3ccccc3[N+](=O)[O-])cc2)C1 54124345 SETMNRIIDKDAND-HNNXBMFYSA-N 354.410 2.909 10 40 FFCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O 33321320 NOUWXUCRPTWRBZ-JYRVWZFOSA-N 358.781 2.906 10 40 FFCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC(C)C 13343767 ACVNBINRSSOSGS-QPEQYQDCSA-N 367.448 2.768 10 40 FFCB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)Nc1cccc(C(=O)O)c1 16922817 GQEGPJMVSVNOGM-AWEZNQCLSA-N 370.386 2.982 10 40 FFCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc[nH]1 5372862 RKLINJQJALKWTN-FOWTUZBSSA-N 356.426 2.946 10 40 FFCB COc1ccc(O)c(CN2CCc3c(O)nc(-c4cccnc4)nc3C2)c1 19551659 RSSDYWPYKHVRHR-UHFFFAOYSA-N 364.405 2.517 10 40 FFCB COc1ccc(-n2nnnc2CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 9570355 JTRKRRKCSZGMJG-UHFFFAOYSA-N 367.453 2.504 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1C 409022697 PQRJPLXDDZJNFF-OQLLNIDSSA-N 370.405 2.974 10 40 FFCB CC1=NN(C(=O)c2ccccc2O)C(=O)[C@@H]1N=Nc1ccc([N+](=O)[O-])cc1 253486665 YRXXQRFUEXMUAQ-OAHLLOKOSA-N 367.321 2.811 10 40 FFCB Cc1cccc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c1 4356778 RVBBZYPHXKOEGM-HQQGHWSLSA-N 365.432 2.514 10 40 FFCB Cc1cc(C)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(C)c1 23398000 ZPWYQSNERSWCDM-UHFFFAOYSA-N 368.480 2.784 10 40 FFCB COc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)c1 1857961 DZJODUKGBWATLJ-XYOKQWHBSA-N 357.278 2.703 10 40 FFCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S 1834050 OMNHPQAHMDGVLG-BKLZJWBFSA-N 367.448 2.768 10 40 FFCB CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3cccc(O)c3)S2)C1 2395663 BLURCKZHWINPBO-NWFCWYBLSA-N 360.435 2.638 10 40 FFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\C=C\c2ccco2)C1=O 1168234 KRZIFWYMAKKJLC-WYMAPRSLSA-N 352.346 2.901 10 40 FFCB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 13126983 ZSHZTBWAIPHHEP-QGZVFWFLSA-N 355.442 2.976 10 40 FFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 33862023 ZIKPKGRRJYRTPA-NTEUORMPSA-N 371.443 2.636 10 40 FFCB COc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 5097857 JLPSYLJPURFPHK-GOSISDBHSA-N 371.481 2.559 10 40 FFCB Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1ccc2c(c1)OCO2 3396664 YKZNRMULSDRTMF-UHFFFAOYSA-N 370.434 2.926 10 40 FFCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCC(C)C 3322960 NMQZFHPUHZNGQK-UHFFFAOYSA-N 360.410 2.554 10 40 FFCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 75283018 NNROEYFGOFDXOH-DHDCSXOGSA-N 355.325 2.948 10 40 FFCB COc1cc(OC)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225951203 YEXTXYIHZDHOST-UHFFFAOYSA-N 373.482 2.581 10 40 FFCB COc1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 15218787 ZSJNXTFBIDGTCO-SDNWHVSQSA-N 351.362 2.582 10 40 FFCB O=C1CSc2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2N1 70004891 JKBAFAQZFVEEEP-UHFFFAOYSA-N 369.446 2.820 10 40 FFCB CN(C)c1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1 31771976 BRBNTWSWPLKACE-HXUWFJFHSA-N 356.422 2.609 10 40 FFCB COc1ccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 49740675 QLLKJEPABDWDOY-UHFFFAOYSA-N 367.493 2.696 10 40 FFCB S=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc2c(c1)OCO2 225419969 VJYIIAWYXBTOKS-UHFFFAOYSA-N 371.462 2.739 10 40 FFCB CCOc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 409399501 JFQQFQNTAVGGKP-GDNBJRDFSA-N 368.389 2.564 10 40 FFCB CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Br)c1O 6950768 VTZCPYYGTDEKRK-POHAHGRESA-N 371.256 2.631 10 40 FFCB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(O)c4ccccc34)cc2[nH]1 2685425 DJTCWAGIGNBBIP-UHFFFAOYSA-N 355.375 2.516 10 40 FFCB Nc1ccccc1C(=O)n1nc(N)c(/N=N/c2ccc([N+](=O)[O-])cc2)c1N 68602497 CWTFKIQLIZZAIF-QZQOTICOSA-N 366.341 2.642 10 40 FFCB COCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 4736943 VOYNHTGQBOQCIW-CYVLTUHYSA-N 365.433 2.956 10 40 FFCB OCCN1CCN([C@H](c2cccs2)c2ccc3cccnc3c2O)CC1 20507289 SAAMDLFHGJROHF-IBGZPJMESA-N 369.490 2.701 10 40 FFCB aggregator CCCOc1ccc(/C=C2\SC(N3CCN(C(C)=O)CC3)=NC2=O)cc1 17045460 KBURPSTWNCYMGJ-LGMDPLHJSA-N 373.478 2.610 10 40 FFCB COc1ccccc1N/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 2892919 QIJIMNAGHMDXTR-JLHYYAGUSA-N 371.780 2.927 10 40 FFCB Cc1ccc(CN(C)CC(=O)NCc2cc([N+](=O)[O-])ccc2O)c(C)c1 14139468 CEUGDFIMHDRMJP-UHFFFAOYSA-N 357.410 2.665 10 40 FFCB CC(C)CNc1cc(NCCO)c(N)c2c1C(=O)c1ccccc1C2=O 6662237 BVSSLYYJZLRPHU-UHFFFAOYSA-N 353.422 2.516 10 40 FFCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=S)NC1=O 409101172 AGXJRAAXXACJGG-RIYZIHGNSA-N 350.465 2.793 10 40 FFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2CC)C1=O 409246726 ASHXMSPAUUUKCL-WYMLVPIESA-N 353.378 2.573 10 40 FFCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC 408804089 VOMVQITWIZRDQD-RVDMUPIBSA-N 366.373 2.760 10 40 FFCB CC[C@@H](C(=O)OC)N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 1011322 DEKRNPNOBWXXPT-VWLVURMCSA-N 351.449 2.848 10 40 FFCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC1CCCC1 4999639 OKGVWIYCDVLXHX-PDGQHHTCSA-N 359.401 2.898 10 40 FFCB CCOC(=O)C[C@@H](c1ccc(O)c(O)c1)c1c(O)c2ccccc2[nH]c1=O 72326128 ZBFKTWCGSXCFKP-ZDUSSCGKSA-N 369.373 2.730 10 40 FFCB biogenic CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)cc1 15674199 BZLKBMFEMYILTM-AEFFLSMTSA-N 365.437 2.506 10 40 FFCB biogenic,in-vitro CC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1ccccc1O 3174019 AACCKDAMLRSSOM-QFBILLFUSA-N 350.374 2.821 10 40 FFCB CCn1c(=O)c(C2=NNC(=O)/C2=C\c2cccs2)c(O)c2ccccc21 103506866 CJOVVRDJZNACTD-RAXLEYEMSA-N 365.414 2.706 10 40 FFCB CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])SC1=S 15019140 NIOYCVQORVAUBD-SDQBBNPISA-N 354.409 2.833 10 40 FFCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 408847709 RDUQEJSGIBPGPA-PKNBQFBNSA-N 371.349 2.565 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 408799761 KTEFAVYUOFOZEI-LFIBNONCSA-N 350.374 2.978 10 40 FFCB N#CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 34887787 BUMLHVVUXZCWGL-UVTDQMKNSA-N 353.765 2.704 10 40 FFCB COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33696073 QSRXJOPYFGCMGD-GHXNOFRVSA-N 373.752 2.718 10 40 FFCB CCNC(=O)c1cccc(NC(=O)CN(C)c2ccc(OC)c(OC)c2)c1 58183297 KQFKZVUJUZGCJR-UHFFFAOYSA-N 371.437 2.528 10 40 FFCB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(O)c4ccccc34)ccc21 3656794 SAXNHUFPXUUFDU-UHFFFAOYSA-N 370.386 2.791 10 40 FFCB O=C(CSc1nc2ccccc2[nH]1)NC1=NN(c2ccccc2)C(=O)C1 19797009 USPQADYCERATMN-UHFFFAOYSA-N 365.418 2.522 10 40 FFCB COc1ccc(N2CCN([C@H](CNC(=O)C3CC3)c3ccco3)CC2)cc1 56946118 CFGQOWLQBPVJTQ-LJQANCHMSA-N 369.465 2.678 10 40 FFCB Cc1nn(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1Br 58156693 VGNMEXINDRHGIN-UHFFFAOYSA-N 365.275 2.829 10 40 FFCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC(C)C 4815330 GVANKWSRWFLLMV-FOWTUZBSSA-N 352.390 2.944 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 1225777 VHQBLFDKZDUWNW-GXDHUFHOSA-N 366.373 2.679 10 40 FFCB O=C1c2ccccc2C(=O)C1(C[n+]1ccccc1)c1ccc2c(c1)OCO2 6829272 SBZNIYVEXPISNJ-UHFFFAOYSA-N 358.373 2.720 10 40 FFCB COc1ccc(N2CCN(CCCNC(=O)c3cccs3)CC2)cc1 11853424 BSHHDLALCGLEDY-UHFFFAOYSA-N 359.495 2.699 10 40 FFCB CN1c2ccccc2Sc2cc(C=C3C(=O)NC(=S)NC3=O)ccc21 409140615 KRSWDJOUNIPOKE-UHFFFAOYSA-N 367.455 2.833 10 40 FFCB COC(=O)c1sc2cc(=O)n(-c3cccc(C(F)(F)F)c3)nc2c1O 13121725 SGPWOXLICCUHMN-UHFFFAOYSA-N 370.308 2.958 10 40 FFCB CCOC(=O)C[C@H](c1ccc(O)c(O)c1)c1c(O)c2ccccc2[nH]c1=O 72326130 ZBFKTWCGSXCFKP-CYBMUJFWSA-N 369.373 2.730 10 40 FFCB biogenic Cc1ccccc1-c1nc2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2n1 254301751 FMRGGKUQNPVPBV-UHFFFAOYSA-N 362.458 2.740 10 40 FFCB CCN1C(=O)C(=Cc2ccc(Br)cc2)C(=O)N(CC)C1=S 5455837 NGXOQQJPHRKMSE-UHFFFAOYSA-N 367.268 2.828 10 40 FFCB COc1ccc(O)c(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c1 12122003 QRLXZSYURLRHLB-UHFFFAOYSA-N 364.405 2.517 10 40 FFCB Cc1ccc(/N=N\c2cc(C)ccc2N[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 4959823 YFPIVGOSXSIEFG-ZYLLLVJSSA-N 371.437 2.958 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(O)c1 408878380 AZSBNERDYORIDA-XYOKQWHBSA-N 372.764 2.721 10 40 FFCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/NC(=O)N(C)C2=O)c1C 409192549 DUVHTPXOFWQKGA-RIYZIHGNSA-N 370.365 2.533 10 40 FFCB CCCN1C(=O)/C(=C\c2ccc(OCC)c(OCC)c2)C(=O)N(C)C1=O 575442979 HCPNULBGCJHSGC-KAMYIIQDSA-N 360.410 2.698 10 40 FFCB Cc1nn(C)c(C)c1CCC(=O)NCc1ccc(N2CCSCC2)cc1 54035194 UPFSMHWGZLGHIS-UHFFFAOYSA-N 372.538 2.839 10 40 FFCB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCOCC2)cc1 10113280 MKTABZYQBJBHRP-RMKNXTFCSA-N 367.405 2.761 10 40 FFCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 1831074 FLFCFEDTFZSJEA-LFTLCWSBSA-N 367.448 2.768 10 40 FFCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C)o3)C2=O)cc1Cl 2219806 LBYUCIIFFSUIFY-WQLSENKSSA-N 360.753 2.916 10 40 FFCB CCN1C(=O)/C(=C/c2cc(OC)c(OC(C)=O)c(OC)c2)SC1=S 83259518 XKSARUVSMSPZFE-JYRVWZFOSA-N 367.448 2.850 10 40 FFCB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 1276867 VTQZOLWCTMXYQF-GHXNOFRVSA-N 365.432 2.538 10 40 FFCB COc1ccc(N2CCOC[C@@]3(CCCN(Cc4nccn4C)C3)C2)cc1 96229012 YTOBKWQVGBWDBE-OAQYLSRUSA-N 370.497 2.548 10 40 FFCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1c[nH]cn1 13569729 GOFOYVLOCVPKTD-LFIBNONCSA-N 366.450 2.848 10 40 FFCB O=C1c2ccccc2C(=O)c2c1c(O)cc1c2nnn1Cc1ccccc1 36559043 BRYWHZJGKCBOOV-UHFFFAOYSA-N 355.353 2.961 10 40 FFCB COc1ccc(N2CCN(C(=O)CN[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 102362570 PGCRIIMGDBKTRY-WKRCXCSHSA-N 371.525 2.758 10 40 FFCB CCCN1C(=O)/C(=C/c2cc(Br)c3c(c2)OCO3)NC1=S 105001248 DJPKHTJAIZHRFB-YHYXMXQVSA-N 369.240 2.645 10 40 FFCB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1 59921171 RLWVOOYPPRUWJZ-UHFFFAOYSA-N 374.462 2.569 10 40 FFCB CC[C@H](C)[C@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 2326903 UYFNOTJIQGIEIF-GTNSWQLSSA-N 359.422 2.966 10 40 FFCB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1 30419185 XIXUUWGJJFJCLX-UHFFFAOYSA-N 374.462 2.552 10 40 FFCB CCc1ccccc1NC(=O)CN(CCC(N)=O)c1ccc(OC)cc1 9117842 RIQCXJWKFRQAKZ-UHFFFAOYSA-N 355.438 2.578 10 40 FFCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(N)=O)cc1 13758031 DZRKLZVYCUHLEK-HMXCVIKNSA-N 359.514 2.686 10 40 FFCB COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CN3CCCC3)c2oc1=O 20649946 NQNLDVHEFMAHRV-UHFFFAOYSA-N 365.813 2.772 10 40 FFCB CC(C)CN1C(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)SC1=S 409143256 MHAAVZMUKMEJQW-CHHVJCJISA-N 373.503 2.984 10 40 FFCB CN1CCCc2cc(CNC(=O)N[C@@H]3CCCc4c3cnn4C)ccc21 58571172 YDVZOVXQWGLVKO-QGZVFWFLSA-N 353.470 2.679 10 40 FFCB Cc1cccc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 19078718 QYCGTQYPXHYMNU-UHFFFAOYSA-N 374.491 2.511 10 40 FFCB COc1ccc(N2CCN(c3nc(C)c(CC(C)C)c(=O)[nH]3)CC2)cc1 7499206 RAXXWTFMDGZNDN-UHFFFAOYSA-N 356.470 2.612 10 40 FFCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)cc3)C2=O)cc1Cl 4600005 WOZKXQDCDJLAJK-JYRVWZFOSA-N 372.764 2.721 10 40 FFCB O=S(=O)(Nc1c(F)c(F)c(F)c(F)c1F)c1cccc2nonc12 17075018 QKGYZAWOKIGWGJ-UHFFFAOYSA-N 365.239 2.719 10 40 FFCB COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 408917119 MZQXKXKUINPRMH-UVTDQMKNSA-N 356.378 2.666 10 40 FFCB S=C(NCc1ccccc1)N1CCN(c2ccc3c(c2)OCO3)CC1 408586390 OJYQYHFNIRBWGS-UHFFFAOYSA-N 355.463 2.612 10 40 FFCB Cc1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1C 408868128 MMUTXEIQWPYNTN-UHFFFAOYSA-N 366.442 2.797 10 40 FFCB COc1ccc(/C=C2/SC(=S)N(CCCCC(=O)O)C2=O)cc1O 97990670 JFYJMWLCUMICOM-UKTHLTGXSA-N 367.448 2.857 10 40 FFCB CN1C(=O)NC(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O 1104063 DIVBRVULNGTEDM-GZTJUZNOSA-N 359.385 2.781 10 40 FFCB COc1cccc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)c1 5514595 NFRWMZPBJFWOCA-OQLLNIDSSA-N 373.206 2.919 10 40 FFCB COc1ccc(N2CCN(C(=O)CCc3ccccc3OC)CC2)cc1 6320086 BREOGGCBTBLXPY-UHFFFAOYSA-N 354.450 2.985 10 40 FFCB COc1ccc(CN2C(=O)N=C(O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1 9359038 FDMVPVMYMRUYSC-JYRVWZFOSA-N 371.305 2.699 10 40 FFCB COc1ccc(C2=N/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)O2)cc1 96634884 GBXBAMPIJBJZOM-XMHGGMMESA-N 364.401 2.876 10 40 FFCB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 408555116 DPXLQXDYHLNFFW-UHFFFAOYSA-N 364.379 2.785 10 40 FFCB C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1(Cl)Cl 55523296 OHOGFLZZHWGGIV-HNNXBMFYSA-N 361.244 2.862 10 40 FFCB COC(=O)c1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 820699 KZHHGEABXSDBSC-OQLLNIDSSA-N 356.765 2.588 10 40 FFCB C[C@H]1CC(C)(C)N(C)c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc21 113773219 FUEDXRDQTDXKHG-LBPRGKRZSA-N 355.438 2.842 10 40 FFCB Cc1ccccc1/C=C1/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C1=O 27530430 LIQICRUPUCEYTG-SERMCNLOSA-N 365.432 2.514 10 40 FFCB CCN1C[C@@H](CN(C)Cc2cc3c(cc2O)OCO3)Oc2ccccc21 12544075 FSAVMLJEGKNAHO-OAHLLOKOSA-N 356.422 2.840 10 40 FFCB O=C1NC(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)N1 5771855 XBYMBGNFZRYDSV-UHFFFAOYSA-N 356.765 2.668 10 40 FFCB COc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c(O)c1 12121995 YUNTZUJHILXYKG-UHFFFAOYSA-N 364.405 2.517 10 40 FFCB OCCN1CCN([C@@H](c2ccccc2)c2ccc3cccnc3c2O)CC1 19791695 PZPDIHSNPVGTMR-NRFANRHFSA-N 363.461 2.640 10 40 FFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 723621 NCZDMWSFPHRCQS-NTUHNPAUSA-N 370.748 2.735 10 40 FFCB COC(=O)[C@H](C)N1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O 409064559 HKQOCNACCPUZEF-UDGQHYAZSA-N 360.435 2.907 10 40 FFCB CCOc1cc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)ccc1O 19720173 WAZRDVHQZAAHNT-LNDOMPNFSA-N 362.451 2.870 10 40 FFCB CN(C)c1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 5529462 KGHXZMOVUXBGCN-VNJAGFCQSA-N 367.356 2.934 10 40 FFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(F)cc3)C2=O)cc1 13765412 PFXLUAFUTQTGTN-WJDWOHSUSA-N 369.352 2.803 10 40 FFCB CC1=CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)NC(=O)NC3=O)cc21 113815529 KNUAYAYYSXYINB-UHFFFAOYSA-N 359.813 2.721 10 40 FFCB CC1=NN(C(=O)c2cccnc2)C(=O)[C@@H]1N=Nc1ccc([N+](=O)[O-])cc1 253484502 HRUNYCIRHVONQT-CQSZACIVSA-N 352.310 2.501 10 40 FFCB CCNC(=O)NC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1 14199124 ISYIIKDSJTZABX-UHFFFAOYSA-N 359.813 2.829 10 40 FFCB NC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 32099656 PHOBAAXVERHZEV-ATVHPVEESA-N 373.368 2.507 10 40 FFCB CCO/C=C1\SC(=S)N([C@@H](Cc2ccccc2)C(=O)OCC)C1=O 256027796 CCZPABSQZKKVMA-UROBUVALSA-N 365.476 2.899 10 40 FFCB CN(C)c1ccc(CN(CCCn2ccnc2)Cc2cncn2C)cc1 19291814 QANCWNNKSKXSEU-UHFFFAOYSA-N 352.486 2.775 10 40 FFCB CN(C)c1ccc([C@@H](N)CC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1 3846607 YODMIDWNSCQEPQ-INIZCTEOSA-N 365.433 2.583 10 40 FFCB CN(C)c1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(Cl)cc3)C2=O)o1 17058936 UDFSBHUETNVHNA-LCYFTJDESA-N 359.769 2.870 10 40 FFCB COc1cccc(C2N3CC4(C)CN2CC(c2ccccc2)(C3)C4=O)c1O 19323644 ZLQIWLVELZFLAF-UHFFFAOYSA-N 364.445 2.558 10 40 FFCB biogenic CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)N(C)C1=O 4540126 PXXLCUSULQKQID-UHFFFAOYSA-N 371.374 2.757 10 40 FFCB Cc1ccc2c(O)c(C(=O)NCc3ccc(N(C)C)c(F)c3)cnc2n1 84205831 OHCSXEDIHHFFMM-UHFFFAOYSA-N 354.385 2.779 10 40 FFCB Cc1noc(C)c1CN1CCN(C(=O)/C=C/c2ccc(N(C)C)cc2)CC1 58277322 HNFVFGCWPSJBAU-JXMROGBWSA-N 368.481 2.715 10 40 FFCB CCOc1cccc(/C=C2/SC(=S)N(CC)C2=O)c1OCC(=O)O 4739742 SNYBHUUFBPUWKB-XYOKQWHBSA-N 367.448 2.770 10 40 FFCB Cc1cc(C(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c(C)n1-c1ccccn1 12632634 AFZZMWVANQHFBL-MRXNPFEDSA-N 368.437 2.638 10 40 FFCB CC(=O)N1[C@@H](c2ccccc2O)c2[nH]c3ccccc3c2C[C@@H]1C(=O)O 3174016 AACCKDAMLRSSOM-APWZRJJASA-N 350.374 2.821 10 40 FFCB Nc1ccc(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N)n1 104090481 WRAAWVPQNAYMSS-DQRAZIAOSA-N 369.410 2.857 10 40 FFCB COC(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 4174716 OVUKGWHFLQPAGB-RAXLEYEMSA-N 351.449 2.850 10 40 FFCB COc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)O4)CC2)cc1 19498027 LBFWXCBHPHJRMG-HRAATJIYSA-N 368.477 2.874 10 40 FFCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 1805083 JTMHWUQRWYGWFD-NUBYWOLOSA-N 367.448 2.768 10 40 FFCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1ccc(N2CCCCC2=O)cc1 32820530 SUXIIABXUNUCFO-UHFFFAOYSA-N 369.377 2.747 10 40 FFCB COc1ccc(N2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)CC2)cc1 79484203 CEHGHDSJTXSRLN-UHFFFAOYSA-N 350.422 2.842 10 40 FFCB CC(=O)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 4703328 JZSOOUGFMUBDME-GZTJUZNOSA-N 364.357 2.587 10 40 FFCB COc1cccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c1O 19567238 MYBAVOXDCLTNCU-QAPCUYQASA-N 362.376 2.789 10 40 FFCB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)Nc1ccc2c(c1)OCO2 1428380 NEJPCXUTAMBQBJ-UHFFFAOYSA-N 374.418 2.651 10 40 FFCB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(O)c(O)c1 2637828 OCOGXGOWAANEHA-UHFFFAOYSA-N 372.358 2.852 10 40 FFCB CN(Cc1ccccc1O)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1 83865585 XBIRDQLVDBEGFX-INIZCTEOSA-N 356.447 2.566 10 40 FFCB CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)NC1=S 95559058 HRVBHCYNMJPPFC-LFIBNONCSA-N 352.415 2.522 10 40 FFCB COc1ccc(-n2c(C)cc(C(=O)N3CCNC(=O)[C@H]3C(C)C)c2C)cc1 78496096 DDPJMDKUQDYBDH-LJQANCHMSA-N 369.465 2.699 10 40 FFCB Oc1ccccc1CN1C[C@H](O)C[C@H]1c1nc(-c2ccc(F)cc2)no1 15674928 DPVLWTLIDGJWDG-CVEARBPZSA-N 355.369 2.889 10 40 FFCB biogenic,in-vitro COc1ccc(N2CCN(C(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 4062318 UIWGYPIRMQVQFH-UHFFFAOYSA-N 363.417 2.708 10 40 FFCB COc1ccc2c(c1)CCCN2CC(=O)NCc1nc2ccccc2n1C 19664361 HJOLJIWREZTRGY-UHFFFAOYSA-N 364.449 2.651 10 40 FFCB COc1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] 820705 IFWWMEKPFDEKSI-NTUHNPAUSA-N 373.752 2.718 10 40 FFCB O=c1cc([C@@H]2CCCN(Cc3ccccc3O)C2)nc(-c2ccncc2)[nH]1 72392885 YYWCRZHQLXLBPN-MRXNPFEDSA-N 362.433 2.917 10 40 FFCB CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)NC2(CCCC2)C1=O 23854937 NRYZULSQALMETN-UHFFFAOYSA-N 370.497 2.931 10 40 FFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCCC3)C2=O)cc1 2634977 ZTYUXLULOFUBKR-GXDHUFHOSA-N 362.476 2.519 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1cccc(Cl)c1 408815847 VGYCPLHAXMBVOD-UHFFFAOYSA-N 372.833 2.833 10 40 FFCB COCCNCc1c(O)ccc2c(-c3ccc(OC)cc3)cc(=O)oc12 8765148 NTKKCWLWXNWYKJ-UHFFFAOYSA-N 355.390 2.910 10 40 FFCB biogenic CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 408802738 GSPVHGNJZYYRJM-FOWTUZBSSA-N 366.373 2.760 10 40 FFCB CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408811753 RPMRSQUPGYGHNE-LFIBNONCSA-N 366.373 2.846 10 40 FFCB COc1ccc(N2CCN(Cc3cnc(Br)cn3)CC2)cc1 1249489535 UHZZAGIFZBXNGQ-UHFFFAOYSA-N 363.259 2.570 10 40 FFCB O=C1/C(=C/c2ccc3ncccc3c2)SC(=S)N1N1CCOCC1 54360793 CGHGUQKMJOZLKI-PTNGSMBKSA-N 357.460 2.683 10 40 FFCB COc1ccc(N2CCC[C@]3(CN(Cc4ccncc4)CCO3)C2)cc1 96226314 SOQZGVAUJWEUJJ-NRFANRHFSA-N 353.466 2.962 10 40 FFCB Cc1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)c1C 4689938 WVWBYUUDBVRNBE-XNTDXEJSSA-N 352.415 2.840 10 40 FFCB NC(=O)COc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O 409341955 ATWCMYKVQGHQQP-XNTDXEJSSA-N 370.455 2.957 10 40 FFCB COCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 4999678 LJRGMRWKBVDOTK-CYVLTUHYSA-N 365.433 2.956 10 40 FFCB O=C(Nc1ccc(O)c(CN2CCOCC2)c1)Nc1cccnc1Cl 72305879 VONGMKNBPQTEQF-UHFFFAOYSA-N 362.817 2.917 10 40 FFCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccnc1 5855376 NWSQILQPTPQSFA-KPKJPENVSA-N 361.473 2.983 10 40 FFCB COc1ccc(N2CCCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 52465824 UINDBMZZNDHKHP-FXAWDEMLSA-N 359.514 2.902 10 40 FFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1O 408879542 FCQKXEJUGHILAW-NTEUORMPSA-N 366.373 2.684 10 40 FFCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1O 408883687 WAFHWFNCGWRWLJ-FLIBITNWSA-N 360.728 2.851 10 40 FFCB CCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)c(OCC)c1 1102391 NXBAUDLGGCYQGO-LFIBNONCSA-N 362.451 2.787 10 40 FFCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O 409009586 GMYIDOBEGDWYSH-LFIBNONCSA-N 353.447 2.956 10 40 FFCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCC(=O)O 8411926 ZIIUXLAAFNHNQV-UKTHLTGXSA-N 367.448 2.770 10 40 FFCB Cc1noc(/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 6792446 QPBLMKNKGKQVEJ-HWKANZROSA-N 360.326 2.806 10 40 FFCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(C)c3C)C2=O)cc1 408535527 TUSYQZUTJQEJNU-WJDWOHSUSA-N 365.389 2.891 10 40 FFCB COC(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946275 QTJQUODLLKBVCZ-KRWDZBQOSA-N 359.426 2.508 10 40 FFCB C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(N2CCOCC2)C1=O 13721704 VWBNNZUBEILSRO-JASJWYONSA-N 374.487 2.842 10 40 FFCB COc1ccc(N2CCN(Cc3ccnc(-c4ccncc4)n3)CC2)cc1 72343325 KGFOLDIBMGPNJU-UHFFFAOYSA-N 361.449 2.869 10 40 FFCB Cc1cc(C(=O)NCc2ccc(-n3ccnc3)nc2)c(C)n1-c1ccccn1 33044745 FXSPZMAZLKTQGG-UHFFFAOYSA-N 372.432 3.000 10 40 FFCB CCN1c2ccc(C=C3C(=O)NC(=S)NC3=O)cc2[C@H](C)CC1(C)C 113789220 HDEBJDMWVHEFAS-LLVKDONJSA-N 357.479 2.713 10 40 FFCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OC(C)C 5727334 DIFZWSSEVIFOKA-UHFFFAOYSA-N 366.801 2.570 10 40 FFCB CN1CCN([C@H](CNC(=O)c2cccs2)c2ccc(N(C)C)cc2)CC1 22589216 JWKJFDPASHZWQO-GOSISDBHSA-N 372.538 2.533 10 40 FFCB O=C(NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1ccc(O)cc1 16755513 XNHRLNIXUAANRG-ZROIWOOFSA-N 372.427 2.644 10 40 FFCB O=C1/C(=C\c2cccs2)SC(=S)N1CCCN1CCOCC1 27229680 JMFGLSCDGKQELD-ACCUITESSA-N 354.522 2.672 10 40 FFCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc21 4262905 BTUNSROGAXDFMG-UHFFFAOYSA-N 367.382 2.534 10 40 FFCB O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)C1CCOCC1 84405078 SDPKPHXXXIDMNV-ZDUSSCGKSA-N 372.387 2.954 10 40 FFCB COc1ccc(N2CCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)cc1 58163990 BVZKKNHTMSHACB-KRWDZBQOSA-N 353.466 2.869 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc([N+](=O)[O-])c1 10906772 RNASDYIPYYBTAP-UHFFFAOYSA-N 355.394 2.704 10 40 FFCB CC(=O)N[C@@H](C(=O)NCCc1cc(C)n(-c2ccccc2)c1C)C(C)C 11085382 UESOZDUPCPHZQR-HXUWFJFHSA-N 355.482 2.914 10 40 FFCB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 39975994 LEWAVDNKNRYHID-INIZCTEOSA-N 369.440 2.903 10 40 FFCB Cc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)c(C)c1 96930764 JPTAQJFRQVHPAO-FOWTUZBSSA-N 362.520 2.837 10 40 FFCB CN(C)c1ccc([N+](=O)[O-])cc1C=C1C(=O)OC2(CCCCC2)OC1=O 17085755 GCZGIYZLYZGLSC-UHFFFAOYSA-N 360.366 2.805 10 40 FFCB O=C1/C(=C/c2ccc(N3CCOCC3)cc2)NC(=S)N1C1CCCCC1 1106913 YLZQQCVETBXAPQ-JXAWBTAJSA-N 371.506 2.914 10 40 FFCB CN1C(=O)/C(=C\c2cccn2-c2ccc3ccccc3c2)C(=O)NC1=S 9265379 RMEMWNQXLLPLBM-ATVHPVEESA-N 361.426 2.887 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)cc1C 408779820 LJCRTEFWXFVQNE-LICLKQGHSA-N 351.406 2.925 10 40 FFCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccco1 2287117 LFLLHSNVMDWMQV-XYOKQWHBSA-N 350.252 2.965 10 40 FFCB O=C(O)CCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1907748 LOTIXJJEUCFISL-FLIBITNWSA-N 352.393 2.661 10 40 FFCB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1cccc(O)c1 2259506 IJKUNYVFDGZQNL-WQLSENKSSA-N 362.457 3.000 10 40 FFCB CCOCCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 55531177 WEIFVNUQCHOANT-GJZGRUSLSA-N 352.450 2.872 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(O)c1 408885734 FRPSBCFZONMVHH-OQLLNIDSSA-N 366.373 2.684 10 40 FFCB O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/Nc1ccccc1F 6423898 YPYAUWYBWSSJOQ-UKTHLTGXSA-N 373.384 2.704 10 40 FFCB Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)c1 408996183 LIIUVFUFYKYALD-YBEGLDIGSA-N 351.406 2.803 10 40 FFCB COc1ccc(N2CCN(C[C@@H](O)COc3ccccc3C)CC2)cc1 22608936 INAITHUERKFASL-LJQANCHMSA-N 356.466 2.566 10 40 FFCB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 102055745 DYTGSRRZQLFOAQ-LFIBNONCSA-N 351.362 2.582 10 40 FFCB CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C 4677091 XNUFDVBQUQJMOH-UHFFFAOYSA-N 351.406 2.714 10 40 FFCB COCCNc1cc(NC(C)C)c(N)c2c1C(=O)c1ccccc1C2=O 6661278 KFIZEZJGSFFNDI-UHFFFAOYSA-N 353.422 2.923 10 40 FFCB C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccc(N(C)C)cc1)C2=O 12533777 BJCRSFJXVPFYMI-FOIQADDNSA-N 358.486 2.643 10 40 FFCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 2648272 FNFKPRUOPAVSKA-YBEGLDIGSA-N 367.357 2.851 10 40 FFCB CCOC(=O)CN1C(=O)/C(=C/c2ccc(O)c(OCC)c2)SC1=S 1277095 UDQQITUBQKYYLF-JYRVWZFOSA-N 367.448 2.555 10 40 FFCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccnc2)SC1=S 1805466 SOXZZAZQUQZHJV-QTNMRXCUSA-N 370.455 2.979 10 40 FFCB N=C1/C(=C\c2ccco2)C(=O)N=C2SC(COc3ccccc3)=NN12 26607730 SDQYDQLTQHGPBG-UMNMHFGOSA-N 352.375 2.978 10 40 FFCB COCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 2314952 BNEUBBVGULIBJG-UVTDQMKNSA-N 353.465 2.942 10 40 FFCB CN(C)c1ccc(/C=C(\C(=O)NCc2ccccn2)n2ccccc2=O)cc1 4551778 SWCUDJPOLSPLKW-HMMYKYKNSA-N 374.444 2.624 10 40 FFCB Cn1cccc1/C=C1/SC(=S)N(c2ccc(O)c(C(=O)O)c2)C1=O 5373365 ZCIQRHZALLSMCE-MDWZMJQESA-N 360.416 2.835 10 40 FFCB COc1ccc(N2CCCN(CC(=O)NC3CCC(C)CC3)CC2)cc1 52466268 WZORRTRPOMHREC-UHFFFAOYSA-N 359.514 2.902 10 40 FFCB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@H]2c1ccccc1O 104279966 YBVTYYLTIKLBBJ-LJQANCHMSA-N 373.416 2.648 10 40 FFCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)C 409408015 ONOOKQJGWVOTQI-WJDWOHSUSA-N 352.390 2.944 10 40 FFCB O=C(O)[C@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCC3)c1ccccc1 5235523 DCBNOGJYMXFUPH-GOSISDBHSA-N 365.385 2.903 10 40 FFCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 408942276 YUBALRZAPWZBNW-NTEUORMPSA-N 370.748 2.705 10 40 FFCB COCCN1C(=O)/C(=C/c2cc(C)n(CCOC)c2C)SC1=S 409148812 SBQMEDAKELROHB-UVTDQMKNSA-N 354.497 2.599 10 40 FFCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1cccnc1 19938223 GRQFIWPBATWUIY-QGOAFFKASA-N 364.474 2.870 10 40 FFCB O=C1NC(=O)C(=Cc2ccc(Cc3ccccc3F)c(Cl)c2)C(=O)N1 408866399 ICOBDDKZQKTOOG-UHFFFAOYSA-N 358.756 2.819 10 40 FFCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccnc1 100423392 LRBYYQDPTPCPMU-AQTBWJFISA-N 350.378 2.733 10 40 FFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 9154727 KFZJHIHUXLNZQD-UHFFFAOYSA-N 355.394 2.704 10 40 FFCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 7497005 LXQGWFDHCHNPPE-UHFFFAOYSA-N 357.366 2.692 10 40 FFCB Cc1ccc(COc2ccccc2C=C2C(=O)NC(=O)NC2=O)cc1C 408800811 PNDVNBIVAQGKEZ-UHFFFAOYSA-N 350.374 2.632 10 40 FFCB CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1ccc(C(=O)c2ccccc2)cc1 100524811 VPJVPVOWYNOUDQ-WGLILOHCSA-N 365.418 2.832 10 40 FFCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408896713 ZFYDZWJVVMWBOZ-ZSOIEALJSA-N 374.393 2.932 10 40 FFCB NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(F)c(F)c3)cc2)C1 54179065 GWMDPSCAYQLKDM-MRXNPFEDSA-N 359.420 2.956 10 40 FFCB N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(C(F)(F)F)=NN12 4664745 YXMJNVVRRZULLW-DRQLKBBPSA-N 368.296 2.597 10 40 FFCB CCN1/C(=C2/SC(=S)N(NC(C)=O)C2=O)Sc2ccccc21 100508952 BKBSRADQVWKQDO-QBFSEMIESA-N 351.478 2.699 10 40 FFCB O=C1/C(=C/c2cc3ccccc3[nH]c2=O)SC(=S)N1C[C@@H]1CCCO1 12360304 IDJUILAYKHPIHS-GRRFOWRYSA-N 372.471 2.908 10 40 FFCB CN(C)c1ccc(CNC(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 9836077 KFNUOSGOXGVZQH-UHFFFAOYSA-N 367.478 2.946 10 40 FFCB CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OC 13343739 SZSBPBRZCSVZIK-JYRVWZFOSA-N 367.448 2.770 10 40 FFCB O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1COc2ccccc2O1 54035401 POZGIXVXHFFLEZ-IBGZPJMESA-N 370.474 2.696 10 40 FFCB CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 12543732 DDXIEJJZEAEKFR-MRXNPFEDSA-N 357.479 2.735 10 40 FFCB CN1C(=O)C(=CNc2cc(C(F)(F)F)ccc2Cl)C(=O)N(C)C1=O 5719687 QLDDDAMWDHDBIV-UHFFFAOYSA-N 361.707 2.705 10 40 FFCB C[C@@H](Oc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1)C(=O)O 69621348 HXSVHMKBHADUMG-QJMZJAKPSA-N 360.435 2.995 10 40 FFCB COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 15012316 ZCEZOKTUDFHIGD-LCYFTJDESA-N 372.764 2.721 10 40 FFCB CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 17218405 IETVLFYBRBRYJY-GDNBJRDFSA-N 351.318 2.742 10 40 FFCB COc1ccc(CCN2C(=O)N=C(O)/C(=C/c3ccc[nH]3)C2=O)cc1OC 20502687 USAHPHJTNMCDER-KAMYIIQDSA-N 369.377 2.577 10 40 FFCB Cc1ccccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C 4090658 IQPKSOUNLMEDCG-UHFFFAOYSA-N 351.406 2.836 10 40 FFCB C[C@@H](c1c(O)ccc2c1OCC2=O)N1CCN(C(=O)OC(C)(C)C)CC1 206047183 VOVKCPHRLBTVTP-LBPRGKRZSA-N 362.426 2.581 10 40 FFCB COc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1OC 694628 RFHXXMMMHZMXAM-NTEUORMPSA-N 358.781 2.819 10 40 FFCB O=C(CN1C(=O)CSC1=S)N1CCS[C@@H](c2ccccc2)CC1 206988555 BKKFHEOKYPOAJE-CYBMUJFWSA-N 366.533 2.554 10 40 FFCB CN(Cc1ccc(N(C)C)cc1)C(=O)CCn1cnc2sccc2c1=O 10432941 NXGONBLXVTXYIJ-UHFFFAOYSA-N 370.478 2.573 10 40 FFCB COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2 2744791 MUTNGMJUXMTKSV-ZJUUUORDSA-N 351.424 2.853 10 40 FFCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 3360568 CCUPIITVHHCODX-UHFFFAOYSA-N 360.479 2.823 10 40 FFCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(CC(=O)O)C1=O 6275787 IDRSXAQPEQLCQQ-NTEUORMPSA-N 362.476 2.881 10 40 FFCB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC 7146525 MADYFGBXGUNLBM-UHFFFAOYSA-N 364.467 2.591 10 40 FFCB COc1ccc(N2CCN([C@H](C)C(=O)NCC3CCCCC3)CC2)cc1 58161255 SMFJOPNZQOBSJL-QGZVFWFLSA-N 359.514 2.902 10 40 FFCB CC(=O)c1ccc(N2CCN(Cc3cc4c(cc3O)OCCO4)CC2)cc1 8726101 SPXGMSFCBBOOTO-UHFFFAOYSA-N 368.433 2.688 10 40 FFCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccccc1OC 409016917 UFYJMOPIUPSAFM-BOPFTXTBSA-N 364.401 2.963 10 40 FFCB Cc1cc([N+](=O)[O-])cc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1O 12659846 CTIPGICZGLESJX-WBVHZDCISA-N 367.361 2.778 10 40 FFCB biogenic COc1ccc(N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1 21168381 NOCYTFRGRVEIQV-UHFFFAOYSA-N 364.401 2.764 10 40 FFCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NC1CCCC1 4999638 QWAAITZUFGTBSM-UYRXBGFRSA-N 371.437 2.767 10 40 FFCB COc1cccc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)c1 6571000 PEHSEFVUIJXLCX-UHFFFAOYSA-N 371.393 2.574 10 40 FFCB CN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)NC1=S 4672805 RNKXYTZYTCTHPN-XNTDXEJSSA-N 370.405 2.661 10 40 FFCB Cc1cccc(-c2nc3sc(=Cc4ccc(N(C)C)cc4)c(=O)n3n2)c1 263630426 TXZHVSREXQGPCG-UHFFFAOYSA-N 362.458 2.740 10 40 FFCB Cc1ccc(-n2c(C)cc(C(=O)O[C@H](C)C(=O)N3CCOCC3)c2C)cc1 11422251 DLPUGLZEYLPDAQ-QGZVFWFLSA-N 370.449 2.807 10 40 FFCB Oc1ccc(C2=Nn3c(Cc4ccccc4F)nnc3SC2)c(O)c1 13120342 CDOCJDBMNJCKLQ-UHFFFAOYSA-N 356.382 2.777 10 40 FFCB COc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC2)cc1 19498030 LBFWXCBHPHJRMG-IERDGZPVSA-N 368.477 2.874 10 40 FFCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CC3CCCCC3)cc2)C1 55916183 KCPRWRUMZJOAGA-GOSISDBHSA-N 357.498 2.975 10 40 FFCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc(Cl)cc1 408530644 JJLPZSMFNQTDHI-FOWTUZBSSA-N 369.808 2.957 10 40 FFCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCCC1 4263541 FREVUDMHIILVIJ-ACCUITESSA-N 350.465 2.883 10 40 FFCB CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 40888224 ANAUMAQRXJWEES-RAXLEYEMSA-N 351.449 2.937 10 40 FFCB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC)cc2)cc1 193780239 LZVZZZBLSCZHLE-UHFFFAOYSA-N 355.438 2.796 10 40 FFCB COc1cc(/C=C2\C(=O)N(C(=O)c3ccccc3O)N=C2C)ccc1O 13780828 URAHCRSLMJYETI-ZROIWOOFSA-N 352.346 2.548 10 40 FFCB CC(=O)Nc1ccc(C(=O)N2N=C(C)/C(=C\c3ccc(O)cc3)C2=O)cc1 104299110 WKWZFIXERCCQLF-WOJGMQOQSA-N 363.373 2.793 10 40 FFCB O=C(O)COc1ccccc1/C=C1\SC(=S)N(c2cccnc2)C1=O 9444684 MCHZWTRWIBITMF-ZSOIEALJSA-N 372.427 2.951 10 40 FFCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCc3ccccc3)cc2)C1 48374639 UVIFXJHWMFSKJG-LJQANCHMSA-N 365.477 2.637 10 40 FFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/NCCc3ccccc3)C2=O)c1 6130557 JFVUUVZGUKGRGJ-AQTBWJFISA-N 363.417 2.602 10 40 FFCB COc1ccc(N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 8028841 PUUCGEWYCSKBKT-NYYWCZLTSA-N 367.405 2.965 10 40 FFCB CCN(CC)c1ccc(CN(C(=O)C(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 6517556 YNAWIGYMGOLMQX-GOSISDBHSA-N 366.527 2.705 10 40 FFCB COC(=O)C1=CN(c2cccc(OC)c2)c2cc(F)ccc2S1(=O)=O 64979186 NWRDIAXNNOQDEN-UHFFFAOYSA-N 363.366 2.774 10 40 FFCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O 408965689 LNYQZDURFAATBT-MDWZMJQESA-N 360.728 2.851 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(O)cc3)C2=O)c(C)c1 18057344 JNVRVXLIXMRSFF-XNTDXEJSSA-N 351.362 2.588 10 40 FFCB COc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1O 9188448 MSOGUKJPGBSNMB-LFTLCWSBSA-N 351.449 2.781 10 40 FFCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 54361118 GKUSJNWWGKUETN-MQJVFOOVSA-N 373.459 2.940 10 40 FFCB CC1=NN(c2ccc3nnc(C)n3n2)C(=O)/C1=C/Nc1ccc(Cl)cc1 36352971 KSZGSZLCYDYIGS-NTEUORMPSA-N 367.800 2.805 10 40 FFCB O=c1[nH]c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)cc2[nH]1 4732904 ZRAIVKQTXCKHME-UHFFFAOYSA-N 374.205 2.669 10 40 FFCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCCO)C2=O)cc1 4736929 CUYRSYHZDSVQPI-CYVLTUHYSA-N 365.433 2.692 10 40 FFCB COC(=O)Nc1ccc(NC(=O)OC)c2c1C(=O)c1ccccc1C2=O 4768902 FPENBLLSCQVNGH-UHFFFAOYSA-N 354.318 2.819 10 40 FFCB COc1ccccc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 25987647 QDZNBEYDCZYKLU-UHFFFAOYSA-N 369.465 2.873 10 40 FFCB CCOC(=O)c1cc(Br)c2c(c1N)C(=O)c1ccccc1C2=O 12644342 ZMFCBIHBKKCSEJ-UHFFFAOYSA-N 374.190 2.983 10 40 FFCB C[C@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(N2CCOCC2)C1=O 13721707 VWBNNZUBEILSRO-PILJQMSFSA-N 374.487 2.842 10 40 FFCB Cc1ccc(N2C(=O)/C(=C\NN3CCCCCC3)C(O)=NC2=S)cc1 38160573 CLGATWZABYXBTN-QINSGFPZSA-N 358.467 2.848 10 40 FFCB COC(=O)c1cccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1 32819578 VTYAQOYIDZYBLP-UHFFFAOYSA-N 354.450 2.942 10 40 FFCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCc3ccccc3)cc2)C1 48374638 UVIFXJHWMFSKJG-IBGZPJMESA-N 365.477 2.637 10 40 FFCB O=C(O)CCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S 1266343 FSBCUEQQHZZVKM-YFHOEESVSA-N 359.375 2.964 10 40 FFCB C/C(NCCCO)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 4736930 QYJLIFHGLPLLGF-JXAWBTAJSA-N 353.397 2.823 10 40 FFCB CC(C)COc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=S)NC1=O 409045161 FMGRMVLARVXSDO-UHFFFAOYSA-N 373.261 2.943 10 40 FFCB Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)c1 4551394 NDCVGIZBLNISQD-MHWRWJLKSA-N 367.474 2.967 10 40 FFCB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)CC1 32956472 FRWPQDMHTGPVIB-UHFFFAOYSA-N 371.412 2.512 10 40 FFCB CN(C)c1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 1297891 ADTNETPFOBLKCF-RAXLEYEMSA-N 350.465 2.819 10 40 FFCB CN(C)c1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 26842118 AINIYOKYARQLTG-LQZBDKQGSA-N 374.469 2.935 10 40 FFCB CC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O 107833868 XNAGNDVNEPNGSB-WJDWOHSUSA-N 364.357 2.587 10 40 FFCB CC(C)COCCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 26265497 BXKKIGDRHBIKTE-UHFFFAOYSA-N 363.502 2.727 10 40 FFCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1cccnc1 4193770 RJUYUUTVKRLZPD-LGMDPLHJSA-N 350.447 2.874 10 40 FFCB CCc1ccccc1NC(=O)CNC(=O)NCc1ccc(N(C)C)cc1 31727211 OMOKZBYWPQHKIR-UHFFFAOYSA-N 354.454 2.753 10 40 FFCB CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 10057348 HGPGWJHUAAJAIQ-UHFFFAOYSA-N 373.478 2.815 10 40 FFCB CCN1c2ccc(C=C3C(=O)NC(=S)NC3=O)cc2[C@@H](C)CC1(C)C 113789224 HDEBJDMWVHEFAS-NSHDSACASA-N 357.479 2.713 10 40 FFCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(NC(C)C)nc12 2701792 RXRXBXGCLYBNIJ-WQLSENKSSA-N 374.491 2.654 10 40 FFCB COc1cc(NC(=O)c2ccccc2F)c(N2CCOCC2)cc1OC 12857021 BWKDQBITFXRZDW-UHFFFAOYSA-N 360.385 2.932 10 40 FFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(O)cc1 4797353 NTDLLYZVILGMDS-ZROIWOOFSA-N 357.753 2.624 10 40 FFCB N/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 84921224 FHNLYRGSQSLTIT-GZTJUZNOSA-N 365.433 2.580 10 40 FFCB COc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5097864 JQZZXQYNCTYDLB-FQEVSTJZSA-N 371.481 2.559 10 40 FFCB Cc1cc(O)c(CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1C 25686215 NJCWSJUEMHIVLW-UHFFFAOYSA-N 366.508 2.577 10 40 FFCB CCOc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)OC)C1=O 27563111 KVWLXPXXFNHVAK-PEHNMLCRSA-N 351.449 2.848 10 40 FFCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc[nH]1 6615647 RKLINJQJALKWTN-VBKFSLOCSA-N 356.426 2.946 10 40 FFCB COc1ccc(N2CCCN(CC3CCN(C(=O)C4CC4)CC3)CC2)cc1 72338548 NRCDRRKVOZVGBD-UHFFFAOYSA-N 371.525 2.856 10 40 FFCB CN(CCO)c1ccc([C@H]2Nc3cc(Cl)ccc3C3=NCCN32)cc1 12144177 VSRUSQYUMQFZQW-SFHVURJKSA-N 356.857 2.955 10 40 FFCB Nc1nc(N)nc(-c2ccccc2/N=N/Nc2ccccc2[N+](=O)[O-])n1 17004093 NPDUAMBCYJRSQP-UHFFFAOYSA-N 351.330 2.722 10 40 FFCB COc1ccccc1-n1c(C)cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)c1C 19567591 QDJHKJHJZRIVIJ-FFZOFVMBSA-N 369.509 2.742 10 40 FFCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(F)cc1 4499088 JTWNHYLYWREOHJ-UHFFFAOYSA-N 355.369 2.667 10 40 FFCB COc1ccc(N2CCN([C@H](c3nnnn3C(C)(C)C)C(C)C)CC2)cc1 57669728 RVWSTYPVFYIIDI-SFHVURJKSA-N 372.517 2.956 10 40 FFCB N=C1/C(=C\c2ccc3c(c2)OCO3)C(=O)N=C2SC(C(F)(F)F)=NN12 5716578 YXMJNVVRRZULLW-WVVJKLFESA-N 368.296 2.597 10 40 FFCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 18255097 KUYGVYFIDZUETM-ZSOIEALJSA-N 357.347 2.961 10 40 FFCB CCN(CC)c1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 195537590 CFVLXMZYKFUXNP-UHFFFAOYSA-N 363.439 2.920 10 40 FFCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccccc1OCC 13400057 QTTBXPANUCSPNB-SSZFMOIBSA-N 359.422 2.794 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1C 59336687 ITDBXKBQXUYENO-MHWRWJLKSA-N 365.345 2.878 10 40 FFCB CN(C)c1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 15134797 KLMOUSILBLEOBR-UHFFFAOYSA-N 368.433 2.803 10 40 FFCB Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1-c1cccc(F)c1 3555243 WTEXELHFEMTJEJ-UHFFFAOYSA-N 359.353 2.847 10 40 FFCB COCCNC(=O)/C(=C/c1ccc(N(C)C)cc1)c1nc2ccccc2[nH]1 6566812 KANFHTHXIZAZMC-SAPNQHFASA-N 364.449 2.932 10 40 FFCB C[C@@H]1CCc2c(sc(NS(=O)(=O)c3cccc(F)c3)c2C(N)=O)C1 7409929 IYTJXSWWEVMOCV-SECBINFHSA-N 368.455 2.912 10 40 FFCB COc1ccc(N2CCN(C(=O)CN3CCCc4ccccc43)CC2)cc1 7587879 YNDFVGABOJUWJH-UHFFFAOYSA-N 365.477 2.797 10 40 FFCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccc[nH]1 5452696 IWYBWFVZLVTLFT-UHFFFAOYSA-N 359.337 2.830 10 40 FFCB O=C(O)c1cc(N2C(=O)/C(=C/c3ccccn3)SC2=S)ccc1O 16789985 MXWWMMMGLSPDLH-QPEQYQDCSA-N 358.400 2.891 10 40 FFCB O=C(Nc1ccc(CC(=O)N2CCSCC2)cc1)c1cc(O)cs1 101073119 ZVEQZAAINHOTHR-UHFFFAOYSA-N 362.476 2.824 10 40 FFCB COc1ccc(N2CCN(CC(=O)Nc3cc(C(C)C)no3)CC2)cc1 52891442 DDLNDDCTLNOHJI-UHFFFAOYSA-N 358.442 2.567 10 40 FFCB CCOc1cc(-c2cc(-c3ccc(O)c(O)c3)nn2CCO)ccc1O 257251150 JPPWTGCFWMTVJB-UHFFFAOYSA-N 356.378 2.725 10 40 FFCB C[C@H]1CN(c2ccc(CNC(=O)C[C@H]3CCCO3)cc2F)C[C@@H](C)O1 106528764 ZENIBQWJSJDQCH-IJEWVQPXSA-N 350.434 2.625 10 40 FFCB CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 107603284 IYDNFFSJGYJNIF-ZROIWOOFSA-N 374.780 2.994 10 40 FFCB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccnc1 1746990 WFAOFDVPDWTCPK-NTEUORMPSA-N 355.444 2.922 10 40 FFCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)c(C)c1 4690050 DRBGNMKYXWRSML-XNTDXEJSSA-N 352.415 2.840 10 40 FFCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc21 208433052 HJNWASPPULNACN-NTEUORMPSA-N 355.463 2.575 10 40 FFCB CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)NC(=O)CO2 9157858 ZCHUZAARSQMVHU-UHFFFAOYSA-N 353.422 2.746 10 40 FFCB O=C(O)CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 1771532 ISFMWGVYKQJBLY-UXBLZVDNSA-N 372.811 2.924 10 40 FFCB O=C(O)CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S 4318453 WLGRRTLNVGVMQF-YFHOEESVSA-N 359.375 2.964 10 40 FFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 59426690 PZNIKAQUQHUKOA-NTEUORMPSA-N 371.736 2.915 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NCc3ccc(F)cc3)C2=O)cc1C 5647435 WUOAKEBALBZYHL-BOPFTXTBSA-N 367.380 2.699 10 40 FFCB CCOc1ccc(/C=C2/C(=O)NN(c3cccc(F)c3)C2=O)cc1OC 17193944 BUCGNDUGZZYVHL-DHDCSXOGSA-N 356.353 2.694 10 40 FFCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccccc3O)C2=O)c(C)c1 408533405 SBGRJOAQVICPNF-GXDHUFHOSA-N 365.389 2.896 10 40 FFCB COc1ccc(N2CCN(C(=O)Cc3ccc4c(c3)OCC4)CC2)cc1 95477126 SQDBZTZZACIXBM-UHFFFAOYSA-N 352.434 2.521 10 40 FFCB COc1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 58160419 VLULKXJJSAGPJX-UHFFFAOYSA-N 365.477 2.945 10 40 FFCB O=C1N=C(O)N(c2ccccc2F)C(=O)/C1=C\c1nc2ccccc2[nH]1 17180779 FJAOIYWOMQELFE-KTKRTIGZSA-N 350.309 2.573 10 40 FFCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CC3CCCCC3)cc2)C1 55916182 KCPRWRUMZJOAGA-SFHVURJKSA-N 357.498 2.975 10 40 FFCB CC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408536292 VUYRNHHZNRAOCZ-LFIBNONCSA-N 363.373 2.776 10 40 FFCB O=C([C@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1)N1CCCC1 199431224 YRJHDVJIYJWOIX-GOSISDBHSA-N 352.434 2.647 10 40 FFCB Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(F)cc1 8687961 GORAYSQCVIUULT-UHFFFAOYSA-N 368.364 2.961 10 40 FFCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(O)c1 408723232 ROGSRIDOHATTDQ-RIYZIHGNSA-N 358.806 2.877 10 40 FFCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC 1071397 ICZLPOBPENZLSH-MDWZMJQESA-N 358.781 2.819 10 40 FFCB C[C@@H](COCC(F)(F)F)NC(=O)NCc1ccc(N(C)C)c(F)c1 58266382 YNPOBNWTZNEWFG-JTQLQIEISA-N 351.344 2.658 10 40 FFCB Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1 5100735 JWUNTYUOYBMPSX-UHFFFAOYSA-N 351.406 2.836 10 40 FFCB CCOc1cc(/C=C2\C(=O)N(c3ccc(C(N)=O)cc3)N=C2C)ccc1O 4698633 SQMOKDRDTCUROZ-YBEGLDIGSA-N 365.389 2.696 10 40 FFCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccccc1OC(F)(F)F 8777104 CVBQDYYKCNCTNF-XFXZXTDPSA-N 358.341 2.888 10 40 FFCB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/NN2CCCCCC2)C1=O 34236827 OEUPNBWZUFOENQ-YPKPFQOOSA-N 372.425 2.773 10 40 FFCB COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C(O)=NC2=S)cc1 1197700 GHTUWPVHLQSNNA-XYOKQWHBSA-N 373.346 2.868 10 40 FFCB COc1ccc(N2CCN([C@H](C)C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 57548157 TVJMMSPQHGUNHP-OKZBNKHCSA-N 359.514 2.710 10 40 FFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1cc(C)cc(C)c1 408867373 IKWIAILLWHIYQY-UHFFFAOYSA-N 364.401 2.652 10 40 FFCB C[C@H](NC(=O)c1ccc2c(c1)ncn2C)c1ccc(N2CCOCC2)cc1 19718645 SLFWMVLFFAMYAB-HNNXBMFYSA-N 364.449 2.901 10 40 FFCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cccc(OC)c1 6654842 VIYFLUCEIKOAHM-FEEIMYBTSA-N 357.406 2.547 10 40 FFCB CCOc1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 89991137 FJKMYXRDOUVTRI-UHFFFAOYSA-N 357.429 2.985 10 40 FFCB O=C1NC(=O)C(=Cc2cc(Cl)ccc2Cc2ccccc2F)C(=O)N1 408868787 BIPJQJCKYNVXLE-UHFFFAOYSA-N 358.756 2.819 10 40 FFCB COc1cccc(CN2CCCN(Cc3cccc(OC)c3O)C2)c1O 19319168 OOZKLGSJGYLKGD-UHFFFAOYSA-N 358.438 2.780 10 40 FFCB O=C(O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O 9259493 INRGXNQZNSIOGZ-NTEUORMPSA-N 364.398 2.937 10 40 FFCB O=C1/C(=C\NN2CCCCCC2)C(O)=NC(=S)N1c1ccc(F)cc1 34236164 KKBVWQSGXXHTCB-KAMYIIQDSA-N 362.430 2.678 10 40 FFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccccc3OC)S2)CC1 4602276 KJHZMXQTQKFKML-FOWTUZBSSA-N 374.462 2.941 10 40 FFCB Cn1c(-c2ccc(O)c(O)c2O)cs/c1=N\c1cccc(C(=O)O)c1 101727466 POTCAVCSMZMBGA-ZCXUNETKSA-N 358.375 2.801 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1O 1192601 JTBPWSVDTZTTGL-MDWZMJQESA-N 372.764 2.721 10 40 FFCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 4457178 MOCPVADVFTVENA-PKVLTRFUSA-N 360.435 2.885 10 40 FFCB Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O 4746552 XPWVXQODESGZME-XYOKQWHBSA-N 372.427 2.586 10 40 FFCB COc1ccc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Br 32111780 JLZJYKNUPZZZSL-IZZDOVSWSA-N 355.213 2.564 10 40 FFCB CN(CC(=O)NCc1cc([N+](=O)[O-])ccc1O)Cc1ccccc1Cl 9050723 NOUNDRBLFCWBIE-UHFFFAOYSA-N 363.801 2.702 10 40 FFCB COc1ccc2c(c1O)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3 20506677 RSMSJQDBPYSXHH-UHFFFAOYSA-N 355.390 2.543 10 40 FFCB biogenic,in-vitro Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)OCO4)C2=O)cc1 408966618 PPCUBUYXZLJBOV-OVCLIPMQSA-N 364.357 2.699 10 40 FFCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc21 208182631 HAXGGOPHYLOGBF-ZECSTPGPSA-N 357.479 2.665 10 40 FFCB Cc1ccc(/N=N\c2cc(C)ccc2N[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)cc1 4959822 YFPIVGOSXSIEFG-MTEDRESSSA-N 371.437 2.958 10 40 FFCB CCN1C(=O)/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC1=S 6951556 NEDCENXRPYCEIN-XYOKQWHBSA-N 370.477 2.900 10 40 FFCB COc1ccc(N2CCN(C(=O)c3c(C)nc4ccc(C)cn34)CC2)cc1 223148171 METLBHKKJJFTNQ-UHFFFAOYSA-N 364.449 2.922 10 40 FFCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)N(C)C2=S)cc1 680406 JJARMGOPRXODOT-RVDMUPIBSA-N 369.446 2.828 10 40 FFCB COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(O)c1O 12645942 FMOKVXONTJYLKZ-DJJJIMSYSA-N 370.405 2.852 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(O)c1 408886944 MXXOIAVTRZFTFV-OQLLNIDSSA-N 366.373 2.684 10 40 FFCB CCN1/C(=C\C=C2\SC(=S)N(CC(=O)O)C2=O)Oc2ccccc21 17419123 QWFJNAHLMKUKHA-INOXDZRUSA-N 362.432 2.576 10 40 FFCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N=C2O)o1 842748 ITUAUOLTXIFJCM-UHFFFAOYSA-N 357.347 2.918 10 40 FFCB COc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1OC 68535620 XJUIDARMKLCCHX-UHFFFAOYSA-N 370.449 2.813 10 40 FFCB Cc1cccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c1 27530433 RVBBZYPHXKOEGM-OYGDSYQHSA-N 365.432 2.514 10 40 FFCB O=C1N=C(O)N(c2ccccc2)C(=O)/C1=C\c1c[nH]nc1-c1ccccc1 18212819 YSSTXNAOMMMIKU-WJDWOHSUSA-N 358.357 2.948 10 40 FFCB CCn1ncc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1F 253401574 NHXFJAWONJZGTK-UHFFFAOYSA-N 354.190 2.855 10 40 FFCB Cn1cccc1/C=C1/SC(N2CCN(c3ccccc3F)CC2)=NC1=O 5372887 RLOAGHNJONNKHP-GHRIWEEISA-N 370.453 2.957 10 40 FFCB COc1cccc(-c2nnc3n2N=C(c2ccc(O)c(O)c2)CS3)c1 3911146 IINHIDBTZWTBBG-UHFFFAOYSA-N 354.391 2.723 10 40 FFCB CCCCN1C(=O)N=C(O)/C(=C/c2ccc(OC)c(OC)c2OC)C1=O 6783098 OHODFPDFTCJLOP-BENRWUELSA-N 362.382 2.815 10 40 FFCB COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5552828 VILUVBSZCNSQNC-LCYFTJDESA-N 359.432 2.570 10 40 FFCB O=c1[nH]cc(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1O 100486048 FDLLLPKSSLZELX-VXPUYCOJSA-N 371.378 2.692 10 40 FFCB CN1CCN(c2ccc(CNC(=O)CCCOc3ccccc3)cc2)CC1 49740647 FALADUGIXMOBEY-UHFFFAOYSA-N 367.493 2.914 10 40 FFCB COc1ccc(N(C)CCNC(=S)Nc2ccc3c(c2)OCO3)cc1 225797916 AYIGLHXDACVINS-UHFFFAOYSA-N 359.451 2.847 10 40 FFCB CC(C)N1c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2[C@H](C)CC1(C)C 260572489 WEUTVKYVCGRABD-GFCCVEGCSA-N 355.438 2.937 10 40 FFCB CC1=CC2=NC(=O)/C(=C/c3coc4ccc(Cl)cc4c3=O)C(=N)N2O1 13638117 CIVSNYIQUNDWRO-SLEUQVBISA-N 355.737 2.897 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1C 408782874 KFERYWMDMKXKKX-MHWRWJLKSA-N 365.345 2.878 10 40 FFCB O=C1NC(=S)S/C1=C/c1cc([N+](=O)[O-])cc(Br)c1O 5816086 YCQJQEXFBOCVIK-FARCUNLSSA-N 361.198 2.552 10 40 FFCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(C)C3=O)cc21 208458423 UHFIYAIEGRUSQY-OQLLNIDSSA-N 369.490 2.883 10 40 FFCB O=C1NC(=S)N(C2CCCCC2)C(=O)/C1=C/c1nc2ccccc2[nH]1 2281364 ULUFQQDNJHUPAN-ZRDIBKRKSA-N 354.435 2.522 10 40 FFCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cl)cc1 409212563 RAFTWCWYBWEEKG-RIYZIHGNSA-N 371.736 2.915 10 40 FFCB COc1ccc(N2CCN([C@@H](C)C(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 13110231 TVJMMSPQHGUNHP-KSZLIROESA-N 359.514 2.710 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1O 408854827 JSUOLHIYNMKRHE-OQLLNIDSSA-N 366.373 2.684 10 40 FFCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1C(C)C 409391660 JEQOXEUHSSVEGF-MHWRWJLKSA-N 352.394 2.747 10 40 FFCB CCN(C(=O)CN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 57352163 GHCPOWHRRCHSEK-UHFFFAOYSA-N 353.466 2.870 10 40 FFCB COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 1228661 OWIWJTSPXXNYRN-SDNWHVSQSA-N 352.415 2.835 10 40 FFCB O=C(O)[C@@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCC3)c1ccccc1 5235522 DCBNOGJYMXFUPH-SFHVURJKSA-N 365.385 2.903 10 40 FFCB COc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)c([N+](=O)[O-])c1 4125205 JYTAAGZBTATCKP-UHFFFAOYSA-N 355.394 2.874 10 40 FFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1C 408844684 KWJNNBXLNRCCLJ-XNTDXEJSSA-N 365.345 2.878 10 40 FFCB COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1O 4855397 CQYCTLSWCZSZBJ-ONUNCVQHSA-N 370.312 2.582 10 40 FFCB COc1ccc(N2CCN(CC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 36292764 NPAGARGEBFWDII-UHFFFAOYSA-N 370.449 2.717 10 40 FFCB CN(C)c1ccc(CN(C(=O)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4163917 DLGWEHGZMBXARV-LJQANCHMSA-N 372.490 2.582 10 40 FFCB Cc1ccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1C 408816691 VDEMLUCVMQLCNQ-UHFFFAOYSA-N 350.374 2.632 10 40 FFCB CC(=O)Nc1cc(N2CCCCC2)c(N)c2c1C(=O)c1ccccc1C2=O 5486816 UTERCDMLLHSXPR-UHFFFAOYSA-N 363.417 2.993 10 40 FFCB CC(=O)N1CCN(C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)CC1 32901439 XEZOWEBXMULVLB-MDZDMXLPSA-N 351.450 2.798 10 40 FFCB Cc1cc(C(=O)[C@H](C)N2CCNC(=O)C2)c(C)n1-c1ccc(Cl)cc1 57752343 FKHNMEGBEQRACQ-AWEZNQCLSA-N 359.857 2.751 10 40 FFCB O=C(NCC(F)F)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 73883412 JLDANBPADPRRFN-SNVBAGLBSA-N 367.318 2.976 10 40 FFCB COc1ccc(N2C(=O)/C(=C\c3ccccc3C)C(=O)NC2=S)cc1 408764505 UGIRYEQNEWCZQY-WJDWOHSUSA-N 352.415 2.835 10 40 FFCB COc1cc(C)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225955954 DGMFUXIUARQUIX-UHFFFAOYSA-N 357.483 2.880 10 40 FFCB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)CC1 32956457 ADACYFPGZKDZML-UHFFFAOYSA-N 367.449 2.681 10 40 FFCB O=C(Cc1noc2ccccc12)NCc1ccc(N2CCOCC2)cc1 56199375 SKHRCLBVKKMCLD-UHFFFAOYSA-N 351.406 2.523 10 40 FFCB CN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CCO)SC1=S 1513171 ISOQTGGLZRHFQU-VOFKWTQNSA-N 350.490 2.806 10 40 FFCB COc1ccc(N2CCN(Cc3cc(=O)oc4cc(O)ccc34)CC2)cc1 58451816 VFTQYOVIWKMXMB-UHFFFAOYSA-N 366.417 2.829 10 40 FFCB O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1O 5583336 UNQFKHRTFQWCEO-JYRVWZFOSA-N 359.179 2.616 10 40 FFCB CSc1nc(C)c(CCC(=O)NCCc2ccc(O)c(O)c2)c(C)n1 89525997 HTGXSIMEXAQGDI-UHFFFAOYSA-N 361.467 2.518 10 40 FFCB O=C1NC(=O)C(=Cc2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1 409235751 QGOUIJBJZNBUGO-UHFFFAOYSA-N 363.348 2.578 10 40 FFCB Cc1cc(/C=C2\NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Cl)cc1 408589735 FGGKCVBFSRMRJV-NVNXTCNLSA-N 373.796 2.725 10 40 FFCB COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1O 83312896 NCPVLQFUTPGPOM-OVCLIPMQSA-N 352.346 2.905 10 40 FFCB CCCN1C(=O)/C(=C\c2cc(Br)c3c(c2)OCO3)NC1=S 12851179 DJPKHTJAIZHRFB-BJMVGYQFSA-N 369.240 2.645 10 40 FFCB CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccccc1OCC(=O)O 102036873 VPMRDLPWYYMNFY-GZTJUZNOSA-N 350.374 2.952 10 40 FFCB COc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 20104771 XUMCXZAXNZDTKC-MRXNPFEDSA-N 370.449 2.616 10 40 FFCB COc1cc(Cl)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(OC)c1 16101948 PTDMYSULLAKEBC-WZUFQYTHSA-N 373.839 2.643 10 40 FFCB O=C(NCc1ccc(O)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 71819669 LVDGZRANGWFJLK-UHFFFAOYSA-N 369.465 2.600 10 40 FFCB Cc1c(CC(=O)NCc2ccc(F)cc2)c(=O)oc2c(O)c(O)ccc12 6660419 ALPFUGWJTJDYIZ-UHFFFAOYSA-N 357.337 2.511 10 40 FFCB Cc1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N(C)C2=O)cc1Cl 19877694 FEGYYOHSOCLDET-JYRVWZFOSA-N 359.838 2.696 10 40 FFCB COCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1c(O)ccc2ccccc12 5185893 KPKUKNQCKRYHFT-QGZVFWFLSA-N 372.446 2.528 10 40 FFCB Cc1ccc(/N=N\c2cc(C)ccc2N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc1 245232581 YFPIVGOSXSIEFG-JUJPIBLJSA-N 371.437 2.958 10 40 FFCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCCCOC(C)C 100422709 ITWASCOYZIEOLP-GHRIWEEISA-N 360.414 2.996 10 40 FFCB COc1ccc(N2CCN(CC(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1 89502409 WEYKPMVDMRNOFD-UHFFFAOYSA-N 369.465 2.848 10 40 FFCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)cc1Cl 408815122 RQKHFXLTUZGFJJ-CHHVJCJISA-N 373.796 2.714 10 40 FFCB Cn1cccc1/C=C1\SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O 13776897 KJCWFFVOKRNCEF-ADVGAGMGSA-N 372.471 2.922 10 40 FFCB CN(C)c1ccc([C@@H]2C=C(C(=O)O)Nc3nc(-c4ccccc4)nn32)cc1 102335799 QIDBXICUUATAKN-KRWDZBQOSA-N 361.405 2.995 10 40 FFCB CCOc1cccc(CNc2cc(C(=O)OC)ccc2C(=O)OC)c1O 44836404 ZKZROBQECVAJSB-UHFFFAOYSA-N 359.378 2.976 10 40 FFCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccccn1 4675839 LJXJGKXLHGXKJA-MDWZMJQESA-N 357.391 2.610 10 40 FFCB CCC(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946243 WVZQIEFLBZQXFG-GOSISDBHSA-N 357.454 2.678 10 40 FFCB COc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)c(OC)c1 4180358 XHWTXDWPCCAZTP-OQLLNIDSSA-N 358.781 2.819 10 40 FFCB CCCNCc1c(O)c(Cl)cc2c(C)c(CC(=O)OC)c(=O)oc12 20646696 ZOPOIIPDIWLZFR-UHFFFAOYSA-N 353.802 2.676 10 40 FFCB Cn1cccc1/C=C1\SC(=S)N(NC(=O)Cc2ccccc2)C1=O 35040188 SLSJQXXVMUCOFM-KAMYIIQDSA-N 357.460 2.500 10 40 FFCB CN(CCO)c1ccc([C@@H]2Nc3cc(Cl)ccc3C3=NCCN32)cc1 12144176 VSRUSQYUMQFZQW-GOSISDBHSA-N 356.857 2.955 10 40 FFCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1Cc1ccccc1 4545134 UKNRHWCAJUPVQW-UHFFFAOYSA-N 367.474 2.752 10 40 FFCB Cc1cc(-n2cncn2)ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 173200626 LDPDOXJDIHUSHQ-UHFFFAOYSA-N 363.421 2.681 10 40 FFCB COCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(C)c2)C1=O 409146391 SMUQOCGRIHVLOW-FOWTUZBSSA-N 362.451 2.514 10 40 FFCB CCN(C[C@@H](O)CO)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c(C)c1 31362418 COCWIIAFGQLMGS-PFFGMESJSA-N 365.415 2.955 10 40 FFCB in-vitro O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCCN1CCOCC1 20265249 RQBDEYGOMWLEJZ-QINSGFPZSA-N 366.483 2.749 10 40 FFCB O=C1NC(=S)S/C1=C/c1cc(Br)cc([N+](=O)[O-])c1O 113830440 DKUBVHJTKGJURU-FARCUNLSSA-N 361.198 2.552 10 40 FFCB Cc1ccc(NN/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 408535925 URGVZEZPXOUPRF-JLHYYAGUSA-N 370.796 2.732 10 40 FFCB Cc1nc([C@H]2CCN(Cc3ccc(N4CCCC4)c(F)c3)C2)cc(=O)[nH]1 19285234 MLFPYCIYWNITSI-INIZCTEOSA-N 356.445 2.807 10 40 FFCB CCCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2OC)C1=O 409246539 CNKANIFHPQSJKK-WJDWOHSUSA-N 362.451 2.978 10 40 FFCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O 409146865 LOZBNBDUTSQBMH-RVDMUPIBSA-N 353.447 2.956 10 40 FFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)cc1 408886765 MABDTIAVKUBCCT-NTEUORMPSA-N 372.764 2.721 10 40 FFCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1CN1CCOCC1 20102861 LNAPOSKNJPCHNY-UKTHLTGXSA-N 354.884 2.831 10 40 FFCB COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OC)c1 10906984 YKAGRQSZBLVCJG-UHFFFAOYSA-N 370.449 2.813 10 40 FFCB O=C1NC(=S)N(Cc2ccccc2)C(=O)/C1=C/c1c[nH]c2ccccc12 712451 JNQJWJCZSQOGRU-MHWRWJLKSA-N 361.426 2.995 10 40 FFCB O=C(NC1=NN(c2ccccc2)C(=O)C1)c1cc([N+](=O)[O-])ccc1Cl 3114393 HJNMIGDYMGIHFS-UHFFFAOYSA-N 358.741 2.728 10 40 FFCB COc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 49740558 XKIVNISKXZPIKX-UHFFFAOYSA-N 354.450 2.781 10 40 FFCB C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373847 ZIRPBHXUJNQSEU-JFOSTXJFSA-N 362.226 2.716 10 40 FFCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)o1 204987011 VCMISZQMOSGXSQ-RVDMUPIBSA-N 371.368 2.931 10 40 FFCB CCN1C(=O)C(=CNc2cnc3ccccc3c2)C(=O)N(CC)C1=S 5529374 JFGCTZCVPVWHHK-UHFFFAOYSA-N 354.435 2.526 10 40 FFCB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccccc1[N+](=O)[O-])CC3 97993523 CHLOJJZRYMIXOM-XFXZXTDPSA-N 363.329 2.947 10 40 FFCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1[N+](=O)[O-] 13343472 KPLNQDQBUVMVDS-XFFZJAGNSA-N 352.393 2.579 10 40 FFCB CCOC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12 2159818 KBEJNHGMCFZLRT-UHFFFAOYSA-N 355.346 2.993 10 40 FFCB biogenic CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CS(C)(=O)=O)cc1 18150420 BKPQQJRQMOEKBV-UHFFFAOYSA-N 360.479 2.569 10 40 FFCB COc1ccc(N2CCN(C(=O)CN[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 102362576 PGCRIIMGDBKTRY-OEMYIYORSA-N 371.525 2.758 10 40 FFCB COc1ccc(N2CCN([C@H](CNC(=O)C(C)C)c3ccco3)CC2)cc1 56946248 HSKMEQNIEKCVFV-LJQANCHMSA-N 371.481 2.924 10 40 FFCB COc1ccc(N2CCN([C@H](C)C(=O)N(C)C3CCCCC3)CC2)cc1 66313679 CLLPEWCYNDXSJT-QGZVFWFLSA-N 359.514 2.997 10 40 FFCB Cc1cc(C(=O)COC(=O)c2cc[nH]n2)c(C)n1-c1ccc2c(c1)OCO2 46349312 GKTUBGMCIKQJMC-UHFFFAOYSA-N 367.361 2.586 10 40 FFCB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 1276533 ZIKQBEGKDVIRTK-GHXNOFRVSA-N 366.420 2.748 10 40 FFCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCC(Cl)=N2)cc1 5900754 HNRIVZORQFSRLV-FOWTUZBSSA-N 366.808 2.910 10 40 FFCB COc1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 103762360 TZMOSBJULLISLZ-ACCUITESSA-N 351.362 2.582 10 40 FFCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 13424022 HFRUAQJOKOCVMY-ZWIPKHHJSA-N 373.908 2.728 10 40 FFCB O=C(O)CN1C(=O)/C(=C/C2=Cc3cc(Cl)ccc3OC2)SC1=S 96931596 JXIIETWQAVJJOO-QCDXTXTGSA-N 367.835 2.945 10 40 FFCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)o1 208493294 WUOIBRIJROKAFA-NTCAYCPXSA-N 353.378 2.792 10 40 FFCB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 15360914 DSMJRCAWCIZHPU-UHFFFAOYSA-N 360.479 2.652 10 40 FFCB CC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 2448455 TWGWKUBZOPVJIY-MHWRWJLKSA-N 367.336 2.607 10 40 FFCB Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1cccc([N+](=O)[O-])c1 8728693 SXZFTLLRVHKZKQ-UHFFFAOYSA-N 372.410 2.678 10 40 FFCB CN1C(=O)C(=CNc2ccc(Nc3ccccc3)cc2)C(=O)N(C)C1=O 60862628 SDSJJVMSPOYKDI-UHFFFAOYSA-N 350.378 2.776 10 40 FFCB CN1CCc2cc([C@H](CNC(=O)C3CCCCC3)N3CCOCC3)ccc21 22733295 WRFMDRGRJLKJIJ-NRFANRHFSA-N 371.525 2.749 10 40 FFCB CCCCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OCC 4690457 DYTKNEWMEFIBQA-UHFFFAOYSA-N 360.410 2.698 10 40 FFCB O=C(C[C@@H]1SC(=S)N(Cc2ccco2)C1=O)NC1CCCCC1 9189408 JNCFNXIQXZMWLY-ZDUSSCGKSA-N 352.481 2.848 10 40 FFCB Cc1c(CNC(=O)N2CCC[C@H](n3ccnn3)C2)n(C)c2ccccc12 566139102 YSPJHSHWXRJMQN-HNNXBMFYSA-N 352.442 2.625 10 40 FFCB COc1ccc(N(CCOc2ccccc2C(C)=O)CCC(N)=O)cc1 27386874 MRCPRXRVGUJGHS-UHFFFAOYSA-N 356.422 2.659 10 40 FFCB COc1ccc(-c2c(C)oc3c(CNCCO)c(O)ccc3c2=O)cc1 57312263 QJQVRBLCAHWUDD-UHFFFAOYSA-N 355.390 2.565 10 40 FFCB COc1ccc(N2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)cc1 5210020 OTGBGBAZOCSSEE-UHFFFAOYSA-N 364.449 2.853 10 40 FFCB Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 2286259 OPPKIZVINNCWDV-MHWRWJLKSA-N 363.348 2.984 10 40 FFCB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1CC#N 107745760 GCRQLRRSFLZLKN-AQTBWJFISA-N 356.385 2.935 10 40 FFCB Cc1ccc(-c2nnc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n23)cc1 1440902 NWNWWBNTPGHWND-ATVHPVEESA-N 362.458 2.740 10 40 FFCB CCN1C(=O)/C(=C\c2cc(OC)c(OC(C)=O)c(OC)c2)SC1=S 7980540 XKSARUVSMSPZFE-MDWZMJQESA-N 367.448 2.850 10 40 FFCB O=C(O)CCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 96765407 HGKXBKDCPPGBOZ-NTCAYCPXSA-N 360.435 2.996 10 40 FFCB COc1cc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(C)cc3)C2)ccc1O 95945875 NODASHJATZNRDK-MRXNPFEDSA-N 360.435 2.820 10 40 FFCB CCN1/C(=C\C=C2/SC(=S)N(CC(=O)O)C2=O)Oc2ccccc21 90450750 QWFJNAHLMKUKHA-HAKHBUOSSA-N 362.432 2.576 10 40 FFCB CCOc1cc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)ccc1O 713871 YXJZWYMYJXULOI-NTEUORMPSA-N 358.781 2.906 10 40 FFCB CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 26520270 MLGXRSJORUQBSB-QGZVFWFLSA-N 355.438 2.734 10 40 FFCB COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2 2744789 MUTNGMJUXMTKSV-NXEZZACHSA-N 351.424 2.853 10 40 FFCB COc1ccc(N2CCN(C(=O)COC(=O)c3sccc3C)CC2)cc1 3555427 YYKUBWIYLVYXMX-UHFFFAOYSA-N 374.462 2.571 10 40 FFCB COC(=O)c1cc2ccccc2c(CN(C)CC(=O)NC(C)(C)C)c1O 13007945 NRKANKZVNOMDRB-UHFFFAOYSA-N 358.438 2.679 10 40 FFCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N\c1ccc(C)c([N+](=O)[O-])c1 104204128 JQGZXEGDSVWTQD-DNTCVELPSA-N 366.337 2.809 10 40 FFCB CCN(CC)C(=O)CN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 5925750 GLAAXOKSMDZJGT-GXDHUFHOSA-N 364.492 2.765 10 40 FFCB O=C1OC(c2ccc(O)c(O)c2)(c2ccc(O)c(O)c2)c2ccccc21 4900898 QPFLFTVMWJJXKU-UHFFFAOYSA-N 350.326 2.971 10 40 FFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)cc1 408776943 SIIHHTFLOSHXHS-GZTJUZNOSA-N 351.406 2.871 10 40 FFCB COc1cccc(C(=O)NN2C(=O)/C(=C\c3cccnc3)SC2=S)c1 5656864 HWLHRQIBKAMQQC-RIYZIHGNSA-N 371.443 2.636 10 40 FFCB CCN(CC)CCCNC(=O)c1nc(-c2ccc(-n3cccc3)cc2)no1 4624402 YDANEYZNNCZLIM-UHFFFAOYSA-N 367.453 2.989 10 40 FFCB CCCn1nc(C(=O)NCc2ccc(N(C)C)cc2)c2ccccc2c1=O 18215066 IJDZFZUDEWOLHR-UHFFFAOYSA-N 364.449 2.803 10 40 FFCB NC(=O)[C@H]1CCCN(c2ccc(CNc3cnc4ccccc4n3)cc2)C1 54124355 BZQXCMIVVWXGMK-INIZCTEOSA-N 361.449 2.944 10 40 FFCB CCOc1ccc(Br)cc1/C=C1/SC(NC(C)=O)=NC1=O 1157287 KCXHVOKMUUZOER-KPKJPENVSA-N 369.240 2.954 10 40 FFCB COc1ccc(OC)c(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1 2237795 ZIBSKCVAJHCBBI-UKTHLTGXSA-N 367.448 2.770 10 40 FFCB CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCOCC2)cc1 22664790 LNKOIQZXLNUDNC-FQEVSTJZSA-N 371.456 2.695 10 40 FFCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(O)c2)SC1=S 4794980 GUDOSHXDNHLWRU-SERMCNLOSA-N 369.489 2.800 10 40 FFCB Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccccc1F 12608902 DAHJOTRGUXMGFQ-UHFFFAOYSA-N 368.364 2.961 10 40 FFCB Cn1c(=O)c(C2=NNC(=O)/C2=C\C=C\c2ccccc2)c(O)c2ccccc21 100261119 RJHNQHNOJGQOGD-QGSAOVALSA-N 371.396 2.718 10 40 FFCB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccccc1C(=O)O 16922814 CLKIKKTZQCVGQM-CQSZACIVSA-N 370.386 2.982 10 40 FFCB O=[N+]([O-])c1cccc([C@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)c1 4176396 IKNBKDPIUKHXMK-LJQANCHMSA-N 370.454 2.761 10 40 FFCB COc1ccc(C(N)=O)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 58335717 JTJSRLQAHFHLFK-UHFFFAOYSA-N 364.405 2.849 10 40 FFCB Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(F)cc3)C1=O)OCO2 408967721 XENFONRKQGQRAK-VGOFMYFVSA-N 368.320 2.529 10 40 FFCB Cc1sc2ncnc(NCc3ccc(N4CCNC(=O)C4)cc3)c2c1C 42110621 DJIQPBOSNNXIBQ-UHFFFAOYSA-N 367.478 2.856 10 40 FFCB COc1cc(/C=C2\C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)ccc1O 1067632 QIOVFDFEGJTFRP-IZZDOVSWSA-N 362.744 2.655 10 40 FFCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2cccc(SC)c2)cc1 12522211 IEJQTXIRIPTNAD-UHFFFAOYSA-N 373.478 2.738 10 40 FFCB CCc1nnc(NC(=O)CCc2nc3cc(Cl)ccc3oc2=O)s1 8131847 ADDICRJAKKQJCY-UHFFFAOYSA-N 364.814 2.827 10 40 FFCB COCCn1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1C 409252129 QRDZBDMVEGVVTC-LDADJPATSA-N 353.422 2.844 10 40 FFCB N=C1Nc2nc3ccccc3n2[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 18053421 GPWSJCAZCQBXIB-ZDUSSCGKSA-N 358.745 2.800 10 40 FFCB C[n+]1ccccc1/C=C1\Sc2ccccc2N1CCCS(=O)(=O)O 5015031 BAHPHFIJDPDOJC-UHFFFAOYSA-O 363.484 2.700 10 40 FFCB COCCN(CC(=O)NCC1CCCCC1)c1ccc(OC)c(OC)c1 72308605 ZQYFBLQPTHGYLS-UHFFFAOYSA-N 364.486 2.853 10 40 FFCB Cc1ccc(-n2c(C)cc(/C=C/c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])c2C)cc1 107651232 PUTKEVWWJDDLPY-RMKNXTFCSA-N 366.377 2.858 10 40 FFCB COc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 5880063 RYSIFWGHXCEFAZ-GDNBJRDFSA-N 371.393 2.578 10 40 FFCB COc1ccc2c3c(n(CCCO)c(=O)c2c1OC)-c1ccccc1C3=O 604406013 XTBACECEYLYIAG-UHFFFAOYSA-N 365.385 2.613 10 40 FFCB biogenic O=C1COC2(CCN(Cc3ccccc3O)CC2)CN1c1ccccc1 1203551969 VKRUFQLKSNJWCO-UHFFFAOYSA-N 352.434 2.790 10 40 FFCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccnc1 100423403 IAJATPKWPZOJBL-PDGQHHTCSA-N 368.368 2.873 10 40 FFCB COc1ccc(N(CC(=O)NC(=O)NC2CC2)Cc2ccccc2)cc1 10395218 JFRJMLJHQIDVQU-UHFFFAOYSA-N 353.422 2.690 10 40 FFCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1Cc1cccc(F)c1 408877826 UTUMVKRLVWJFJV-UHFFFAOYSA-N 374.824 2.984 10 40 FFCB O=C(O)CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)SC1=S 2326322 UZAFTHBRMSJAOS-BENRWUELSA-N 366.464 2.946 10 40 FFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1 408799718 HUUMISKMRIAKKK-LFIBNONCSA-N 350.374 2.978 10 40 FFCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)O 8226761 FVDRREHNOMZBAL-JYRVWZFOSA-N 367.448 2.770 10 40 FFCB CCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12 20266734 SFHKWMHJVSCOSC-UHFFFAOYSA-N 350.846 2.852 10 40 FFCB aggregator O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)OCO2 54035420 FQHCEZXGHYAUJL-UHFFFAOYSA-N 356.447 2.899 10 40 FFCB Cn1cccc1/C=C1\SC(N2CCN(c3ccccc3F)CC2)=NC1=O 35043206 RLOAGHNJONNKHP-LGMDPLHJSA-N 370.453 2.957 10 40 FFCB O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1COc2ccccc2O1 54035400 POZGIXVXHFFLEZ-LJQANCHMSA-N 370.474 2.696 10 40 FFCB COc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)c(OC)c1 48748667 DLKHXAXLTUPDIC-UHFFFAOYSA-N 360.429 2.969 10 40 FFCB O=C1N=C(O)/C(=C/NCCCn2ccnc2)C(=O)N1CCC1=CCCCC1 102485388 GNGCQAUATOUEKH-SSZFMOIBSA-N 371.441 2.556 10 40 FFCB N=C1/C(=C/c2ccc(F)cc2)C(=O)N=C2SC(c3ccncc3)=NN12 33532424 SQUZLGYMAZHUNB-KWWXOIQGSA-N 351.366 2.888 10 40 FFCB COc1ccc(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 3560010 MJPQDSMWCAQICP-UHFFFAOYSA-N 356.422 2.675 10 40 FFCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3)C2=O)cc1 408878230 YNPYZKGWGUDKPX-FOWTUZBSSA-N 364.357 2.530 10 40 FFCB CC1CCN(C2(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)CC1 226297509 WKWVCJLSZFLDDZ-UHFFFAOYSA-N 362.429 2.924 10 40 FFCB COc1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1 13477230 YUEJIACDPZBZLI-GDNBJRDFSA-N 373.206 2.919 10 40 FFCB COC(=O)c1ccc(/N=N\c2nc(CCNC(=O)C(F)(F)F)c[nH]2)cc1 104182360 UXCWAAQFHXZECD-FCQUAONHSA-N 369.303 2.833 10 40 FFCB