smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)OC(=O)N1CC(Oc2cc(Br)ccc2C=O)C1 118510941 WZNNBSYWXFSGEX-UHFFFAOYSA-N 356.216 3.260 0 30 FGAC COCCc1ccc(OC[C@H](O)CNCCCCc2ccccc2)cc1 33868213 ZHEZEVMGVOJQFP-OAQYLSRUSA-N 357.494 3.228 0 30 FGAC CC(C)NC(=O)OC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 4215204 HJSFDYCHYVGVDC-UHFFFAOYSA-N 350.434 3.388 0 30 FGAC in-man Cc1nn(-c2ccccc2C(F)(F)F)c(N)c1I 12481589 QSJVFPZCSTUJHF-UHFFFAOYSA-N 367.112 3.386 0 30 FGAC in-vitro CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@]4(C)CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C 253497959 RGYJLJNXCWHSDA-GCFOMEQYSA-N 360.494 3.487 0 30 FGAC CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](CC(=O)OCc3ccccc3)O[C@H]2C1 383695987 BRZWZXRIFUSUPE-IKGGRYGDSA-N 361.438 3.144 0 30 FGAC O=S(=O)(c1ccc(Cl)cc1)N1CCCN(Cc2ccccc2)CC1 4299595 NGNFZGXEQRIRTD-UHFFFAOYSA-N 364.898 3.237 0 30 FGAC O=C(O)CCC(=O)Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1 1033971 UAJFSBATGNLXSY-UHFFFAOYSA-N 372.768 3.274 0 30 FGAC Cn1c(=O)c2c3c(oc2n(C)c1=O)C=CC=C[C@H]3SCc1ccccc1 205012838 CKFIGZOBKBTXRI-OAHLLOKOSA-N 366.442 3.388 0 30 FGAC Cc1cc(OC(=O)c2nn(-c3ccccc3)nc2C)n(-c2ccccc2)n1 1042598 QBBWKOJRCLOMSQ-UHFFFAOYSA-N 359.389 3.289 0 30 FGAC Nc1cccc(F)c1CNC[C@@H](O)COc1ccc(Cl)c(Cl)c1 4382284 ZNRHAGPLXCUZLK-SNVBAGLBSA-N 359.228 3.244 0 30 FGAC CCCc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 4325124 ZDHHVRFPIGZYOX-UHFFFAOYSA-N 360.479 3.450 0 30 FGAC COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(Cl)cc3)C2)cc1 1035217 LULMBYHRWYFZBH-OAHLLOKOSA-N 372.852 3.378 0 30 FGAC O=C(OCCS(=O)(=O)c1ncccc1Cl)c1cccc(Cl)c1 1046956 HNADYGHTDSBLFA-UHFFFAOYSA-N 360.218 3.019 0 30 FGAC CS(=NC(=O)c1cccc2nonc12)c1ncccc1C(F)(F)F 4347607 JBMMNATZCIBZDU-UHFFFAOYSA-N 354.313 3.268 0 30 FGAC CC(C)(C)OC(=O)N1CCN[C@@H](Cc2cccc(OC(F)(F)F)c2)C1 95752484 XRBJIDGEWJSIMX-ZDUSSCGKSA-N 360.376 3.337 0 30 FGAC CC(C)(C)OC(=O)N1CCc2nc(SCCC3CC3)nc(O)c2C1 1535647179 ACTNCHQKJWFLJB-UHFFFAOYSA-N 351.472 3.368 0 30 FGAC O=C(ON=C1CCS(=O)(=O)c2sccc21)c1ccc(Cl)cc1 254309838 YVCIRWXAYDOZNO-UHFFFAOYSA-N 355.824 3.140 0 30 FGAC COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(Cc1ccccc1)C(C)C 1034161 GYLBIFHSUJJPOP-UHFFFAOYSA-N 365.451 3.282 0 30 FGAC CCN1CCC[C@@H]1CNC(=O)c1c(OC)c(Cl)cc(Cl)c1OC 2021797 JGQKBQNMKHVABS-SNVBAGLBSA-N 361.269 3.225 0 30 FGAC CCOC(=O)c1c(SC)nc2c(Cl)cccc2c1N(C)CCO 20443601 HGBFNPHWCGXFCO-UHFFFAOYSA-N 354.859 3.215 0 30 FGAC O=C(c1cccc2nsnc12)N1CCN(c2ccc(Cl)cc2)CC1 12366638 PDYNWQJJOJQYPY-UHFFFAOYSA-N 358.854 3.307 0 30 FGAC COc1ccc2nc(NC(=O)CC3(CC(=O)O)CCCCC3)sc2n1 1025550 RIMNJKCISHPLQV-UHFFFAOYSA-N 363.439 3.454 0 30 FGAC COC(=O)c1ccccc1N(Cc1c(F)cccc1Cl)S(C)(=O)=O 1044579 ICSOYGUOELNBRK-UHFFFAOYSA-N 371.817 3.232 0 30 FGAC Cn1cc(CCNC(=O)Cc2ccc3c(c2)OCCCO3)c2ccccc21 888090722 PREMDOAQILPKRR-UHFFFAOYSA-N 364.445 3.241 0 30 FGAC O=C1CSc2ccccc2N1Cc1nnc(S)n1Cc1ccccc1 4335479 UNJPHQGEYZQEQX-UHFFFAOYSA-N 368.487 3.254 0 30 FGAC C[C@@H]1ONC(=O)[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1 95930064 ZSWOXSZRPZFSNZ-LAUBAEHRSA-N 358.441 3.387 0 30 FGAC CSc1nnc(SCC(=O)N2CCC(C(F)(F)F)CC2)s1 3137825 OSJJXMKHFZETQC-UHFFFAOYSA-N 357.448 3.153 0 30 FGAC C[C@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1 1034524 DTRBMLYSYQKGPS-NSHDSACASA-N 350.827 3.266 0 30 FGAC CCCCNC(=O)c1onc(CSc2ccc(F)cc2)c1C(=O)O 8672359 DNBBFKKUQMIBIQ-UHFFFAOYSA-N 352.387 3.334 0 30 FGAC O=S(=O)(Oc1ccccc1)c1n[nH]c2ccc(Br)cc12 607717030 ASAKQUULICAHLF-UHFFFAOYSA-N 353.197 3.093 0 30 FGAC O=C(C[C@H]1CCC[C@@H]1C(=O)O)c1cccc(I)c1 83328577 UQCHWAXAZHUWKE-SKDRFNHKSA-N 358.175 3.365 0 30 FGAC Nc1ccc(Nc2cccc(C(=O)O)c2)c2c1C(=O)c1ccccc1C2=O 5162655 HWSFYZXHGYNGMS-UHFFFAOYSA-N 358.353 3.486 0 30 FGAC COc1cccc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)c1OC 1045092 XJZSTCQRTOQZDY-LFIBNONCSA-N 366.373 3.007 0 30 FGAC Brc1ccc2c(c1)OCCC[C@@H]2OCCN1CCOCC1 1535184729 HXAVOHCGNNOWAA-HNNXBMFYSA-N 356.260 3.012 0 30 FGAC CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H]2OC(=CCCCC(=O)O)C[C@H]12 2265339969 KAQKFAOMNZTLHT-UKNAQKAOSA-N 352.471 3.409 0 30 FGAC CC(C)NC[C@H](O)COc1ccc(-c2cc(=O)c3ccccc3o2)cc1 2002720 AXDUMTIMPJKXRS-INIZCTEOSA-N 353.418 3.198 0 30 FGAC CC(C)(C)OC(=O)N1Cc2cc(Br)ccc2C[C@H]1C(=O)O 95775197 QWUDXENKJSOMQR-LBPRGKRZSA-N 356.216 3.196 0 30 FGAC CC(C)(C)OC(=O)N1CCC2(CCCCN2C(=O)C(F)(F)F)CC1 95704860 PXTBCZBMOQFZMO-UHFFFAOYSA-N 350.381 3.331 0 30 FGAC COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)C(Cl)=CC(=O)C[C@H]1C 32250500 ZARJFOZMHNKHAD-VGDKGRGNSA-N 357.189 3.403 0 30 FGAC Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)sc2C(N)=O)cc1 1026325 LXFKNPNQRYQELL-UHFFFAOYSA-N 352.481 3.254 0 30 FGAC O=S(=O)(O)c1nn(Cc2ccccc2)c2ccc(Br)cc12 307405975 FJAXICCTLZZJFN-UHFFFAOYSA-N 367.224 3.094 0 30 FGAC CC(C)(C)OC(=O)N1CCCN(C(=O)Nc2ccc(F)cc2F)CC1 1048345 WIVYIQQAEUODKZ-UHFFFAOYSA-N 355.385 3.440 0 30 FGAC COC(=O)c1c(Br)c(O)c(C)c(OC)c1Br 2265356006 AEZDZQDBOXXIRC-UHFFFAOYSA-N 353.994 3.021 0 30 FGAC O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc2nonc2c1 1040118 SRBOMPONPKHIHB-UHFFFAOYSA-N 366.324 3.368 0 30 FGAC S=C(Nc1ccc2c(c1)OCCO2)Nc1ccccc1N1CCOCC1 1033811 NTPUASXHSADLSR-UHFFFAOYSA-N 371.462 3.103 0 30 FGAC CCOC(=O)[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(C)=O 1033770 XBDQPJHVXYFEBC-CYBMUJFWSA-N 350.465 3.183 0 30 FGAC CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3[C@H]3C[C@@]2(C1)OC3=O 2265351646 OXTBZBICVVJTEG-WFNFYUGMSA-N 374.477 3.435 0 30 FGAC CSc1nnc(CN2C(=O)CSc3ccc(C(F)(F)F)cc32)n1C 1039776 RXUCUIUBLOCFBK-UHFFFAOYSA-N 374.413 3.195 0 30 FGAC CN1C(=O)[C@@H]2[C@H]3c4[nH]c5ccccc5c4CCN3[C@H](c3ccccc3)[C@@H]2C1=O 888086553 DZZILJUBKCXAKZ-JYRKZWEQSA-N 371.440 3.053 0 30 FGAC CC(C)(CCn1cnc2ccccc21)NC[C@@H](O)c1ccc(O)cc1F 1846070 KOTMQCNDGLTIHR-LJQANCHMSA-N 357.429 3.373 0 30 FGAC investigational O=C(CCCCCNC(=O)OCc1ccccc1)NO[C@@H]1CCCCO1 15042573 DEMUYZZRRHRWHJ-GOSISDBHSA-N 364.442 3.048 0 30 FGAC COc1ccc(CCN(C)CCC[S@@](=O)c2ccccc2)cc1OC 2265351570 MTDRQRHHWSWUKO-RUZDIDTESA-N 361.507 3.376 0 30 FGAC CC(=O)Nc1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1 1041434 GPWYBDGEWYSGMR-UHFFFAOYSA-N 360.460 3.338 0 30 FGAC CCOC(=O)c1cc2cc(Br)ccc2nc1C(=O)OCC 32099204 LAMRPEHIOQQMGR-UHFFFAOYSA-N 352.184 3.351 0 30 FGAC O=C(O)COCCCNC(=O)OCC1c2ccccc2-c2ccccc21 113918118 UOOYSCRVCQJNAS-UHFFFAOYSA-N 355.390 3.016 0 30 FGAC Cc1ccc2[nH]c3nc(SCC(=O)N4CCC(C)CC4)nnc3c2c1 5750951 JPVZWYGMBQCLRL-UHFFFAOYSA-N 355.467 3.165 0 30 FGAC O=S(=O)(NCc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1 1046794 GXCDKSKOXUKZEG-UHFFFAOYSA-N 357.353 3.119 0 30 FGAC Cc1ccc(Cc2cnc(NCCSCc3ccco3)[nH]c2=O)cn1 33606267 NLSZIIMWVUOOAT-UHFFFAOYSA-N 356.451 3.002 0 30 FGAC Nc1ccc(Nc2ccc(C(=O)O)cc2)c2c1C(=O)c1ccccc1C2=O 5162654 FSQRTGQUTVRMNV-UHFFFAOYSA-N 358.353 3.486 0 30 FGAC C[C@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 1034405 PZAHBWYLTLSFMT-NSHDSACASA-N 350.827 3.266 0 30 FGAC COCC(=O)Oc1ccc2c(C)c(Cc3ccc(F)cc3)c(=O)oc2c1 1044922 MYDSOFQOGUMQTF-UHFFFAOYSA-N 356.349 3.383 0 30 FGAC Cc1cc(S(=O)(=O)N2CCC[C@@H](Cn3cccc3)C2)cc(C)c1F 1023993 WKYIVRJNZJNFRQ-INIZCTEOSA-N 350.459 3.345 0 30 FGAC O=C(O)Cc1csc(NC(=O)CSc2nc3ccccc3s2)n1 4343592 IMRSWAXMEIDMCL-UHFFFAOYSA-N 365.461 3.111 0 30 FGAC O=C(C[C@H]1CCC[C@@H]1C(=O)O)c1ccc(I)cc1 83328596 ANYKLUBXPQFSPL-PWSUYJOCSA-N 358.175 3.365 0 30 FGAC O=C(OCCS(=O)(=O)c1ccc(Cl)cn1)c1cccc(Cl)c1 1046952 ZBXIYOFTUZRXDX-UHFFFAOYSA-N 360.218 3.019 0 30 FGAC N[C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(-c4ccccc4)ns3)CC2)C1 564829845 CIUVKQCFBWQFIS-FUHWJXTLSA-N 371.506 3.169 0 30 FGAC O=S(=O)(c1ccc2nsnc2c1)N1CCCC[C@@H]1c1cccnc1 4362499 STMDFUPWBRUBJK-MRXNPFEDSA-N 360.464 3.002 0 30 FGAC COc1cc2c(cc1OC)O[C@]1(CC2)c2cc3c(cc2CCN1C)OCO3 105128778 POTBVNIEPLZFJZ-OAQYLSRUSA-N 369.417 3.098 0 30 FGAC COc1cc(NC(=S)NC(=O)c2ccccc2)c(OC)cc1Cl 1045153 HQGMTFSJIINCQF-UHFFFAOYSA-N 350.827 3.484 0 30 FGAC O=C(CN1CCN(CC=Cc2ccccc2)CC1)Nc1ccc(F)cc1F 2265241370 VPAKEMMZRFHHGU-UHFFFAOYSA-N 371.431 3.234 0 30 FGAC CC(C)(C)CCCCCC(=O)OC[C@@H](O)CNCc1cccc(CN)c1 38656300 KCKMOSLSORKFQG-IBGZPJMESA-N 364.530 3.136 0 30 FGAC C[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1 1034525 DTRBMLYSYQKGPS-LLVKDONJSA-N 350.827 3.266 0 30 FGAC O=c1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cnc2n1CCS2 1039075 NPQJFGAEAVUXSA-UHFFFAOYSA-N 366.324 3.085 0 30 FGAC CCN(C[C@@H]1CCCO1)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1 34156576 XWWOLHDYPCYJOR-HNNXBMFYSA-N 369.417 3.327 0 30 FGAC O=C(O)CSCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 4324636 CVWKBQNDZPKAFZ-UHFFFAOYSA-N 372.162 3.224 0 30 FGAC N[C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(-c4ccccc4)ns3)CC2)C1 564829844 CIUVKQCFBWQFIS-AEFFLSMTSA-N 371.506 3.169 0 30 FGAC CC[C@@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1 111941930 YPYWONAECUVKHY-INIZCTEOSA-N 368.485 3.226 0 30 FGAC COc1ccccc1NC(=O)N1CCCN(C(=O)c2cccs2)CC1 1048394 OKDXZRVLOSNVMM-UHFFFAOYSA-N 359.451 3.137 0 30 FGAC CC(=O)[C@@]1(c2ccc(Cl)cc2)C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 1614987146 IJYQPLBAFKSOMH-RDTXWAMCSA-N 367.829 3.261 0 30 FGAC CCCCC[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 2265287759 GMVPRGQOIOIIMI-DODZYUBVSA-N 354.487 3.475 0 30 FGAC COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H]3[C@H]2CO[C@H]3OC)ccc1O 257517306 PWKVHHWFBTXMHU-REABXYAWSA-N 372.417 3.038 0 30 FGAC biogenic CCCCCCCCCCCC[C@@H](C(=O)O)[C@H](C(=O)O)S(=O)(=O)O 145536620 VGIQIGKDANSZJA-ZIAGYGMSSA-N 366.476 3.339 0 30 FGAC COc1ccc(Br)cc1C=NNC(=O)CNc1ccccc1 12367569 GHKJKCUBROPWPS-UHFFFAOYSA-N 362.227 3.020 0 30 FGAC Cn1nc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O 675051051 HWMFRKCDLRXBBE-UHFFFAOYSA-N 363.373 3.479 0 30 FGAC O=S(=O)(C[C@H](c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1 20432595 FQKIXGNEUAMLFY-GOSISDBHSA-N 365.882 3.187 0 30 FGAC O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 1043032 SBWUWJDVJKQSFZ-UHFFFAOYSA-N 354.719 3.332 0 30 FGAC COc1cc(C(F)(F)F)c(C(=O)NCc2ccc(OC)c(OC)c2)cn1 1042977 UDLSHLPCXVLFKA-UHFFFAOYSA-N 370.327 3.056 0 30 FGAC C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)O 96030506 VNEWQJPVNZRHHG-FLDACYKASA-N 362.441 3.304 0 30 FGAC in-vitro CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cnc(Cl)nc2Cl)C1 95084562 XRUQSUXATXQMSH-LLVKDONJSA-N 361.273 3.273 0 30 FGAC CN(C)c1ccccc1NC(=O)c1cc(O)c(Br)c(O)c1 5318255 NUGUFUGDAQIDLH-UHFFFAOYSA-N 351.200 3.179 0 30 FGAC COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1CC(=O)O 138595956 IVWMLMUHAWNDNT-UHFFFAOYSA-N 365.426 3.101 0 30 FGAC COC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc(Br)c1 209407623 BNIAMYBAFNIUOA-HNNXBMFYSA-N 358.232 3.362 0 30 FGAC COCCN(CCOC)C[C@H](C)C(O)(c1ccccc1)c1ccccc1 33878447 URAUJFHYMVOOBL-IBGZPJMESA-N 357.494 3.153 0 30 FGAC O=C(c1ccc(Cl)cc1)[C@H](O)CCN1CCN(c2ccccc2)CC1 33854750 VQHXPTDVTYMBEE-LJQANCHMSA-N 358.869 3.096 0 30 FGAC Nc1ccccc1S[C@@H]1CC(=O)N(c2c(F)cccc2Cl)C1=O 1045880 LDVZASOULQWVIU-CYBMUJFWSA-N 350.802 3.486 0 30 FGAC CC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1 38611829 YNLNHMCVQZLBSO-UHFFFAOYSA-N 357.475 3.307 0 30 FGAC COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc2c(c1)OCO2 2016092 SRAJRUYJYFSKSZ-UHFFFAOYSA-N 367.357 3.003 0 30 FGAC Brc1ccc2c(c1)OCCC[C@H]2OCCN1CCOCC1 1535184730 HXAVOHCGNNOWAA-OAHLLOKOSA-N 356.260 3.012 0 30 FGAC O[C@H](COC1=NCNc2cc(Cl)ccc21)c1ccc2c(c1)OCCCO2 4334037 ZDODNWOZSFMJJE-MRXNPFEDSA-N 374.824 3.381 0 30 FGAC CC[C@@H](C)[C@H](NC(=O)OC(C)(C)c1cc(OC)cc(OC)c1)C(=O)O 4336684 DAKGEWBRIGODGV-ABAIWWIYSA-N 353.415 3.164 0 30 FGAC CC(=O)[C@@]1(c2ccc(Cl)cc2)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 226076924 IJYQPLBAFKSOMH-KBXCAEBGSA-N 367.829 3.261 0 30 FGAC biogenic C[C@H](c1ccccc1)n1c(SCC(=O)c2ccc(F)cc2)n[nH]c1=O 1034089 MJPPYDNLCMJGNX-GFCCVEGCSA-N 357.410 3.295 0 30 FGAC O[C@H](CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1 19834718 SLMFDDNVBSTACX-MRXNPFEDSA-N 369.362 3.095 0 30 FGAC CCN(CC)C(=O)CSc1nnc(-n2nc(C)cc2C)c2ccccc12 1366872 SIYAWMXBMXBSQT-UHFFFAOYSA-N 369.494 3.393 0 30 FGAC COc1cc(I)c(NC(=O)OC(C)(C)C)cn1 116153261 FSBITMHESFEWFE-UHFFFAOYSA-N 350.156 3.042 0 30 FGAC in-vitro C[C@]12CC[C@@H]3C(=CCc4cc(OS(=O)(=O)O)ccc43)[C@H]1CC[C@H]2O 33986675 IVPYDRYLQPJSBW-HPBDAGMYSA-N 350.436 3.005 0 30 FGAC biogenic Cc1ccc(C(=O)N2CCN(c3ncnc4c(C)csc34)CC2)cc1 1027164 CJXIFTNNRCEBOW-UHFFFAOYSA-N 352.463 3.271 0 30 FGAC CCC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226813826 DRKCNQTXRSDLPI-IBGZPJMESA-N 367.401 3.348 0 30 FGAC COC(=O)c1sc(C(C)(C)C)cc1CS(=O)(=O)c1ccccn1 1034967 GJVRFXMDRKWSOU-UHFFFAOYSA-N 353.465 3.201 0 30 FGAC CCCCNS(=O)(=O)c1ccc(Cl)cc1I 2144144 ZVJBZPCJMQWFOD-UHFFFAOYSA-N 373.643 3.023 0 30 FGAC CN(C(=O)Cc1ccccc1)[C@@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1 7057998 PGZRDDYTKFZSFR-URVUXULASA-N 356.510 3.254 0 30 FGAC biogenic C[S@](=O)(=Nc1nc(C(=O)O)cs1)c1cccc(Br)c1 1535640440 IPHGQDUUWNXRBN-LJQANCHMSA-N 361.242 3.392 0 30 FGAC COC(=O)c1cc(NC(=O)c2ccccc2Cl)ccc1N1CCOCC1 1029000 QWZKPHYFPIJIMP-UHFFFAOYSA-N 374.824 3.216 0 30 FGAC C[C@@]1(NC(=O)OCc2ccccc2)C[C@H]1NC(=O)OCc1ccccc1 1044268 XHIYXOGJVJHTIE-YLJYHZDGSA-N 354.406 3.370 0 30 FGAC O[C@@H](CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1 19834716 SLMFDDNVBSTACX-INIZCTEOSA-N 369.362 3.095 0 30 FGAC CN(C(=O)Cc1ccccc1)[C@@H]1CC[C@@]2(CCCO2)C[C@H]1N1CCCC1 7997472 PGZRDDYTKFZSFR-SJBKTWHCSA-N 356.510 3.254 0 30 FGAC biogenic O=C(COC(=O)c1ccc(I)cc1)c1ccccc1 1041863 MLOLQUAQSPKDIW-UHFFFAOYSA-N 366.154 3.331 0 30 FGAC COc1ccc(OC[C@@H](O)CNC(=O)Nc2cccc3ccccc23)cc1 1032838 HZLDRKHDYVNIDV-INIZCTEOSA-N 366.417 3.410 0 30 FGAC C[C@H](C(=O)OCc1ccccc1)[C@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 381965445 IJTMTCBOXNAACY-UAGQMJEPSA-N 363.454 3.126 0 30 FGAC COc1ccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2CC2CC2)cc1 1041524 SXGKDGYTHSOEQJ-MOPGFXCFSA-N 351.402 3.471 0 30 FGAC Cc1ccc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)[nH]c2c1 15923378 UKLNGGHIURFLPL-UHFFFAOYSA-N 366.490 3.312 0 30 FGAC CCN1CCC[C@H]1CNC(=O)c1c(OC)c(Cl)cc(Cl)c1OC 2021795 JGQKBQNMKHVABS-JTQLQIEISA-N 361.269 3.225 0 30 FGAC N#Cc1nc(O)n(-c2ccccc2)c(=N)c1N=Cc1c(F)cccc1Cl 254896446 VEYGQWNJMYQHAX-UHFFFAOYSA-N 367.771 3.472 0 30 FGAC CCCCC[C@H](O)CC[C@H](O)[C@@H](O)CCC/C=C/C=C/C=C/C(=O)O 143117742 FKYXIRLNMKHEHY-ZXCGPIEOSA-N 354.487 3.353 0 30 FGAC CCOC(=O)c1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O 1042718 UMKBAPMEJNCPEB-UHFFFAOYSA-N 369.221 3.187 0 30 FGAC CCOC(=O)C(=CNc1nc2ccc(Cl)cc2s1)C(=O)OCC 2161618 BKVKWRCUKJVFEV-UHFFFAOYSA-N 354.815 3.372 0 30 FGAC CC(=O)O[C@H]1[C@H](OC(=O)C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 49601309 BUTUNJHEBGRWGK-MSOLQXFVSA-N 374.389 3.136 0 30 FGAC biogenic O=C1N[C@@H]2CCC[C@@H]3C(=O)c4ccccc4[C@H]([C@@H]1NCCc1ccccc1)[C@H]32 206951619 QMLKKCHKBRNAIK-MNVIUDHYSA-N 374.484 3.082 0 30 FGAC COc1cccc([C@@H]2OC(c3c(C)nc4cc(C)ccn34)=NN2C(C)=O)c1 6413634 IAXLUVBYFHPHKM-FQEVSTJZSA-N 364.405 3.199 0 30 FGAC Cc1onc(-c2ccccc2)c1CSc1n[nH]c(=O)n1Cc1ccco1 1034330 WIFGJNZFURENQY-UHFFFAOYSA-N 368.418 3.468 0 30 FGAC CCOC(=O)/C(=C/c1ccc(OC)c(OC)c1)NC(=O)c1ccccc1 2145944 MHIGEPMBCAJNEC-VBKFSLOCSA-N 355.390 3.038 0 30 FGAC CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2N2CCCCC2)cc1 4307669 YKTZHRNETIQRCP-UHFFFAOYSA-N 374.462 3.403 0 30 FGAC CCOC(=O)[C@@H]1CCCCN1C(=O)c1c(SC)nsc1SC 1034953 SXVNQXBNAXYNFW-VIFPVBQESA-N 360.526 3.145 0 30 FGAC CCOC(=O)N1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)n2)CC1 20230484 FPZDRDVOLPTLCR-UHFFFAOYSA-N 371.281 3.398 0 30 FGAC CCOC(=O)[C@](NC(C)=O)(Nc1ccccc1C(F)(F)F)C(F)(F)F 3138004 UUIDLOUOXFALAU-LBPRGKRZSA-N 372.265 3.075 0 30 FGAC CSc1cccc(NC(=S)NNC(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)c1 100242108 JKOCJRHPQCYHTD-COPLHBTASA-N 364.565 3.039 0 30 FGAC Cn1c(=O)c2c3c(oc2n(C)c1=O)[C@@H](SCc1ccccc1)C=CC=C3 205012921 SSGMGKNVNMIVDF-HNNXBMFYSA-N 366.442 3.388 0 30 FGAC C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)O 38604628 SKZMVWBZTQNCKW-IZPLOLCNSA-N 354.468 3.316 0 30 FGAC in-vitro Cc1ccc(NS(=O)(=O)c2ccccc2I)cc1 1040964 YCEHIEFHQYBSIE-UHFFFAOYSA-N 373.215 3.400 0 30 FGAC CO[C@@H](CN1CCN(CC[C@@H](O)c2ccccc2)CC1)c1ccccc1 19367106 QSRHLIUOSXVKTG-YADHBBJMSA-N 354.494 3.115 0 30 FGAC in-man O=C1c2nccnc2C(=O)N1c1cc(Cl)c(-n2cccc2)cc1Cl 1030397 DMQFCMAFOJVIMZ-UHFFFAOYSA-N 359.172 3.375 0 30 FGAC COc1ccc(CC(=O)NCc2cc(C)oc2C(F)(F)F)cc1OC 1025924 YKSBMEHBTAWHGQ-UHFFFAOYSA-N 357.328 3.483 0 30 FGAC CCOC(=O)COc1nn(-c2cccc(C(F)(F)F)c2)c2ncccc12 2009613 JGHXHFHJVYSBOU-UHFFFAOYSA-N 365.311 3.381 0 30 FGAC Cc1ccc(F)cc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)O)C1=O 4371639 XXKGMGKCFGALCU-OAHLLOKOSA-N 359.378 3.257 0 30 FGAC C=CC(=O)N1CCC[C@@H](c2ccnc(Nc3cc(C(=O)O)ccc3C)n2)C1 1774020951 LJHWGTAVBDTEPH-OAHLLOKOSA-N 366.421 3.119 0 30 FGAC CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1cccc(OC(F)(F)F)c1 95752488 LLNGMPXXRCTQEB-CYBMUJFWSA-N 360.376 3.337 0 30 FGAC CCOC(=O)c1cccc(-c2cnc([C@H]3CCCN3CCOC)cn2)c1 606241672 UJLNOGOHMITFJC-LJQANCHMSA-N 355.438 3.104 0 30 FGAC CCOC(=O)[C@H]1CCCCN1C(=O)c1c(SC)nsc1SC 1034952 SXVNQXBNAXYNFW-SECBINFHSA-N 360.526 3.145 0 30 FGAC CC(=O)c1ccc(/N=N/[C@H](C(N)=O)[C@@H]2NC(C)(C)Cc3ccccc32)cc1 137387642 WQFHCZGUBRVAAW-QYENAUNRSA-N 364.449 3.492 0 30 FGAC CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1ccc(C)cc1)C(F)(F)F 3103583 SGFGFPZLPXFUQV-MRXNPFEDSA-N 370.327 3.252 0 30 FGAC CC(C)(C)OC(=O)N1CCC(c2ccc(OCC(=O)O)cc2F)CC1 953109605 NYUGYWGRUZAHIG-UHFFFAOYSA-N 353.390 3.404 0 30 FGAC CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3[C@H]3C[C@@]2(C1)OC3=O 2265351644 OXTBZBICVVJTEG-MDBIRJQTSA-N 374.477 3.435 0 30 FGAC Cn1c(=O)c2c3c(oc2n(C)c1=O)C=CC=C[C@@H]3Sc1ccccc1 223563187 QCHSBNFNTRLLLH-AWEZNQCLSA-N 352.415 3.247 0 30 FGAC C[C@@H]1CCN(C(=O)C2C[C@@H]3CCC[C@H](C2)C3N)CCN1Cc1ccccc1 262190970 CFVKHVJQNDCBNV-WQWLHFTFSA-N 369.553 3.263 0 30 FGAC O=C(c1cccnc1F)N1CCN(c2cccc(Cl)c2Cl)CC1 90483687 ICCNSFVZSIYWSC-UHFFFAOYSA-N 354.212 3.490 0 30 FGAC CC(=O)c1ccc(/N=N/[C@@H](C(N)=O)[C@@H]2NC(C)(C)Cc3ccccc32)cc1 137387703 WQFHCZGUBRVAAW-AJMCHMBZSA-N 364.449 3.492 0 30 FGAC C[C@]1(NC(=O)OCc2ccccc2)C[C@H]1NC(=O)OCc1ccccc1 1044269 XHIYXOGJVJHTIE-XLIONFOSSA-N 354.406 3.370 0 30 FGAC Fc1ccc(NC(=S)N2CCCC[C@@H]2CCN2CCOCC2)cc1 20412860 AOAMYRDBJZGXIQ-QGZVFWFLSA-N 351.491 3.099 0 30 FGAC CCOC(=O)CCn1c(=S)n(CCC(=O)OCC)c2ccccc21 1046009 SIRGBMILRSUBQX-UHFFFAOYSA-N 350.440 3.079 0 30 FGAC Cc1c(C(C)C)c(=O)on1C(=O)N1CCN(c2ccccc2Cl)CC1 26941701 WVWDWZAHENFREE-UHFFFAOYSA-N 363.845 3.317 0 30 FGAC COC(=O)C=CC(=CNc1ccc(OC)cc1)S(=O)(=O)c1ccccc1 2265278974 MZDYUDQPGWOFAX-UHFFFAOYSA-N 373.430 3.152 0 30 FGAC COc1cc2occ(-c3cc4c(cc3OC)OCO4)c(=O)c2cc1OC 14645941 INHRJYBOMHQVBR-UHFFFAOYSA-N 356.330 3.215 0 30 FGAC biogenic,in-vitro C[C@@]1(NC(=O)OCc2ccccc2)C[C@@H]1NC(=O)OCc1ccccc1 1044270 XHIYXOGJVJHTIE-FXAWDEMLSA-N 354.406 3.370 0 30 FGAC CCOC(=O)N1CCC(NC(=O)c2cc(Cl)sc2Cl)CC1 1035100 VCJHMRSMMYGWJU-UHFFFAOYSA-N 351.255 3.406 0 30 FGAC Cc1cc(C(=O)NC2CCN(Cc3c(F)cccc3Cl)CC2)no1 4324693 ORYYKLFIHVCMDF-UHFFFAOYSA-N 351.809 3.170 0 30 FGAC N[C@@H]1CCO[C@@H](C2CCN(C(=O)c3cc(-c4ccccc4)ns3)CC2)C1 564829846 CIUVKQCFBWQFIS-SJLPKXTDSA-N 371.506 3.169 0 30 FGAC COc1ccc(C(=O)c2c(C)n(CC(=O)O)c3cc(OC)ccc23)cc1 4213067 NWNBRKHCXIQLDT-UHFFFAOYSA-N 353.374 3.283 0 30 FGAC in-man CC(=O)O[C@@H]1N=C(c2ccccc2Cl)c2nc(Cl)ccc2NC1=O 5166551 UYCMAQWEBUMMAV-INIZCTEOSA-N 364.188 3.067 0 30 FGAC CCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F 254351915 XUVLTOWGDOHDMU-UHFFFAOYSA-N 356.222 3.168 0 30 FGAC CCCCNC(=O)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)O 8691323 NXZCIWZHMASJJS-UHFFFAOYSA-N 370.377 3.473 0 30 FGAC O=C(Nc1cccc(CNC(=O)O[C@H]2CCOC2)c1)Oc1ccccc1 138493437 MZJDQTWTPPPULE-KRWDZBQOSA-N 356.378 3.313 0 30 FGAC CCOC(=O)c1ccc2nc(C(F)(F)F)cc(N3CCN(C)CC3)c2c1 4365028 HSTUCWXQWVSREW-UHFFFAOYSA-N 367.371 3.182 0 30 FGAC O=C(O)c1cc(Cl)cc(Br)c1I 28278240 HWICXKZMFLDUBH-UHFFFAOYSA-N 361.360 3.405 0 30 FGAC Cc1cccc(C)c1N(CCN1CCOCC1)C(=O)Cc1ccccc1 31771159 ANAXFGOJAAGWFU-UHFFFAOYSA-N 352.478 3.211 0 30 FGAC CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1OC(F)(F)F 95752480 MQHHMBQJZTVJCE-CYBMUJFWSA-N 360.376 3.337 0 30 FGAC CO[C@@]1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 669371905 FAMYABXQYPAHMQ-NRFANRHFSA-N 367.401 3.111 0 30 FGAC O=C(CSc1nnnn1-c1ccc(O)cc1)c1cc2ccccc2o1 1029024 NAYOAVPEDLXNPF-UHFFFAOYSA-N 352.375 3.089 0 30 FGAC COc1cc2c(c(OC)c1OC)Cc1cc(OC)c(OC)c(OC)c1C2 2171831 XCLBYPAQDRGAPI-UHFFFAOYSA-N 360.406 3.233 0 30 FGAC COc1ccc(OC)c(CNC(=O)c2cnc(OC)cc2C(F)(F)F)c1 1042975 CJKQTQSRZDXDCJ-UHFFFAOYSA-N 370.327 3.056 0 30 FGAC COC(=O)c1cc([C@@H](O)CNC(C)(C)C)ccc1OCc1ccccc1 140944921 XKKHEBAZHSBZQI-SFHVURJKSA-N 357.450 3.474 0 30 FGAC Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sccc1Cl 4325164 AAWGRJIDWAFSJN-UHFFFAOYSA-N 358.872 3.213 0 30 FGAC O=C1C(=CNc2ccc(OC(F)(F)F)cc2)CCN1c1ncccn1 2265279072 ONDRGUOVGXTDFG-UHFFFAOYSA-N 350.300 3.108 0 30 FGAC CC(=O)Nc1cc2cc(NC(=O)c3c(F)cccc3F)ccc2oc1=O 1040710 OYHJYNNLKNFBNU-UHFFFAOYSA-N 358.300 3.282 0 30 FGAC CCOC(=O)[C@@](NC(=O)c1ccco1)(Nc1cccc(C)c1)C(F)(F)F 3103594 VUTJGTOLRCFIGQ-INIZCTEOSA-N 370.327 3.252 0 30 FGAC O=C(NCCNc1nccc(C(F)(F)F)n1)Nc1ccccc1Cl 4299454 PYFUUEQLWOGDEN-UHFFFAOYSA-N 359.739 3.382 0 30 FGAC O=C(CS(=O)(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 1039497 OVSBAYGORUWIET-UHFFFAOYSA-N 359.234 3.374 0 30 FGAC CC(C)(C)OC(=O)N1CCN(c2cc(N)ccc2OC(F)(F)F)CC1 116668701 OUSXDAAOJZXJQK-UHFFFAOYSA-N 361.364 3.225 0 30 FGAC Cc1ccc(-c2csc3ncnc(NCCN4CCNC4=O)c23)cc1 1031119 WDHHFCNXOSXNFD-UHFFFAOYSA-N 353.451 3.104 0 30 FGAC COc1ccc(/N=N/[C@H](C(C)=O)C(=O)Nc2ccccc2)c([N+](=O)[O-])c1 111414245 UQVOMHJSPSUJQA-ZBBYCGENSA-N 356.338 3.283 0 30 FGAC S=C(Nc1ccc(I)cc1)Nc1ccccn1 1045037 JIDDHLYBDZVXBE-UHFFFAOYSA-N 355.204 3.495 0 30 FGAC CCc1nc(C)c(CN2CCN(c3cc(C(F)(F)F)ccn3)CC2)[nH]1 4302838 PJNIZAZDWHCMSB-UHFFFAOYSA-N 353.392 3.017 0 30 FGAC CSc1nccc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)n1 1038175 NJVOZCXEYUJRQY-UHFFFAOYSA-N 355.510 3.102 0 30 FGAC COc1cc2ccc(=O)oc2cc1OC/C=C(\C)CCC(=O)C(C)(C)O 204995503 YFNJPFSETJLTAH-UKTHLTGXSA-N 360.406 3.247 0 30 FGAC Cc1ccc(C(=O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 4324535 OTJFMLOXKACGNE-UHFFFAOYSA-N 363.383 3.414 0 30 FGAC CC(C)(C)OC(=O)NCCOc1ccccc1I 686085762 JGTVXVURVGEFEM-UHFFFAOYSA-N 363.195 3.195 0 30 FGAC COc1ccc([C@@H](OC(=O)c2c(C)noc2C)C(=O)NC2CCCC2)cc1 1361157 JVEZGZDIMGISPJ-GOSISDBHSA-N 372.421 3.257 0 30 FGAC COC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc(Br)c1 202193545 BNIAMYBAFNIUOA-OAHLLOKOSA-N 358.232 3.362 0 30 FGAC CCOC(=O)[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(C)=O 1033771 XBDQPJHVXYFEBC-ZDUSSCGKSA-N 350.465 3.183 0 30 FGAC COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2CC2CC2)cc1 1041522 SXGKDGYTHSOEQJ-OALUTQOASA-N 351.402 3.471 0 30 FGAC O=C(NC1(CCO)CCN(Cc2ccccc2)CC1)OCc1ccccc1 888084972 YDKPLIRDFCFGJT-UHFFFAOYSA-N 368.477 3.330 0 30 FGAC Cc1ccc(F)cc1N1C(=O)C[C@H](Sc2ccccc2C(=O)O)C1=O 19925003 XXKGMGKCFGALCU-HNNXBMFYSA-N 359.378 3.257 0 30 FGAC CCOP(=O)(CS(=O)(=O)c1ccc(Br)cc1)OCC 196026769 CIFWPPFDXPEZGN-UHFFFAOYSA-N 371.189 3.446 0 30 FGAC O=C(c1cccs1)N1CCN(c2nc(-c3cccs3)ns2)CC1 1035974 GNMLFZLAZJFAKO-UHFFFAOYSA-N 362.505 3.291 0 30 FGAC CCC[C@H](CC)COC[C@@H](CN(CC)CC)OC[C@@H](O)CN(CC)CC 31362268 FCYFZZUXLXEBHG-PCCBWWKXSA-N 374.610 3.259 0 30 FGAC Cc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1 19924928 VYMAMAUKIHLLFW-NRFANRHFSA-N 365.477 3.284 0 30 FGAC COCc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc12 1044779 OBEUUKBLPWLARH-UHFFFAOYSA-N 359.403 3.049 0 30 FGAC Cc1cc(Cl)ccc1O[C@@H](C)c1ccnc2nc(N=CN(C)C)nn12 254479227 OIVKSJRKROUGNG-LBPRGKRZSA-N 358.833 3.448 0 30 FGAC Cc1nn(C)c(C)c1S(=O)(=O)NCc1ccc(-c2cccs2)cc1 1034868 UIFOPUSRWQYADO-UHFFFAOYSA-N 361.492 3.244 0 30 FGAC O=S(=O)(NCc1ccc(F)cc1F)c1ccc(-c2ccno2)s1 12368958 DINMUURXWWEUKB-UHFFFAOYSA-N 356.375 3.160 0 30 FGAC CCOC(=O)C1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1 4333304 UPCUTDNNXUIBAE-UHFFFAOYSA-N 354.406 3.289 0 30 FGAC COc1cc2c(cc1OC)[C@H]1N(CC2)C(C(C)=O)=NN1c1ccc(C)cc1 1035540 XIFZHHRBADCEKA-NRFANRHFSA-N 365.433 3.292 0 30 FGAC CCc1cccc2c(C=O)cn(CC(=O)Nc3ccccc3C(=O)OC)c12 6285796 PAQWSVOLUYEZES-UHFFFAOYSA-N 364.401 3.442 0 30 FGAC COC(=O)Cc1nc(NC(=O)c2cc(C)oc2C(F)(F)F)sc1C 1028509 KAEMOLBDXLEKAU-UHFFFAOYSA-N 362.329 3.340 0 30 FGAC CC(C)(C)OC(=O)N1CCOc2c(cc(Br)cc2C(=O)O)C1 725374338 DGOFSTDOTPEOHE-UHFFFAOYSA-N 372.215 3.277 0 30 FGAC Cc1ccc(C(=O)O[C@H]2CO[C@@H]3CO[C@H](c4ccccc4)O[C@H]3C2)cc1 44960192 CYNQIKSKCVESCU-HDAAZOAOSA-N 354.402 3.424 0 30 FGAC in-vitro Cn1nc(C(F)(F)F)cc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1 2157951 IBTVUWXVJVOORJ-UHFFFAOYSA-N 374.262 3.225 0 30 FGAC O=S(=O)(NCc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 1024163 MWHOFOZNZHJUBS-UHFFFAOYSA-N 351.296 3.462 0 30 FGAC CNC(=O)c1ccccc1[S@](=O)c1cccc2cccc(C(=O)OC)c12 1039009 QOTMMDGJYRGMDJ-AREMUKBSSA-N 367.426 3.153 0 30 FGAC CC(C)(C)OC(=O)N1CCC[C@@]2(C(=O)O)CN(Cc3ccccc3)C[C@H]2C1 605706900 WAVFGNTYFDHTGA-LAUBAEHRSA-N 374.481 3.220 0 30 FGAC COc1cc(C[C@@H]2CO[C@@H](OC)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O 86043713 ORNYSHCOXNAFIY-WHSLLNHNSA-N 374.433 3.135 0 30 FGAC biogenic O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(F)cc1 1027057 SUGUIXFIYNKWAH-UHFFFAOYSA-N 365.290 3.137 0 30 FGAC O=C(O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)OCc1ccccc1 34212655 WNRGTKVCQYDRKL-MSOLQXFVSA-N 355.390 3.068 0 30 FGAC CCCCNC(=S)NS(=O)(=O)c1ccc(OCCC(C)C)cc1C 33858187 MUOOVDAQVCQALH-UHFFFAOYSA-N 372.556 3.373 0 30 FGAC Cn1cc(CCNC(=O)c2n[nH]c3c2COc2ccccc2-3)c2ccccc21 888090810 WBQUFROQPVMQKG-UHFFFAOYSA-N 372.428 3.433 0 30 FGAC CCOC(=O)N1CCc2c(sc(N)c2C(=O)c2ccc(OC)cc2)C1 1033906 VKJTWURXESDHNC-UHFFFAOYSA-N 360.435 3.085 0 30 FGAC O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 4336826 YGKGQJPCGJXQCW-UHFFFAOYSA-N 364.898 3.283 0 30 FGAC Cc1csc(NC(=O)CSc2nc(=O)c3c(C)c(C)sc3[nH]2)n1 8656646 SSLFSJSESOYTHY-UHFFFAOYSA-N 366.493 3.097 0 30 FGAC O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2nonc2c1 1033446 OUYVIFHAOPXYAX-UHFFFAOYSA-N 363.402 3.444 0 30 FGAC COc1ccc(CCNC(=O)c2cc(F)c(N(C)C)c(F)c2)cc1OC 1048630 FIUJBDODTWTGJB-UHFFFAOYSA-N 364.392 3.021 0 30 FGAC CCCc1cc(=O)oc2cc(OCC(=O)OCC(=O)C(C)(C)C)ccc12 2157443 WMVJDWNSRNCQAP-UHFFFAOYSA-N 360.406 3.283 0 30 FGAC CCN(CC)CCNC(=O)[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 5649873 BQKAIPBBWHMZKR-VQTJNVASSA-N 354.450 3.026 0 30 FGAC CO[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 232106737 CLYSYMKTXNTISA-ZDUSSCGKSA-N 355.390 3.015 0 30 FGAC CCc1nc(C)c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)[nH]1 4302837 QAZCCCMUDHRLET-UHFFFAOYSA-N 353.392 3.017 0 30 FGAC CN1C(=O)[C@@H]2[C@H]3c4[nH]c5ccccc5c4CCN3[C@@H](c3ccccc3)[C@@H]2C1=O 888086555 DZZILJUBKCXAKZ-ZFMNYDKASA-N 371.440 3.053 0 30 FGAC CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3[C@H]3C[C@@]2(C1)OC3=O 2265351639 OXTBZBICVVJTEG-CUUFMBNWSA-N 374.477 3.435 0 30 FGAC COc1ccc(CN(Cc2cccn2C)S(=O)(=O)c2ccccc2)cc1 1028887 WWVNBBBBLKHCLY-UHFFFAOYSA-N 370.474 3.425 0 30 FGAC O=C(NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F)c1cccnc1 20413787 DXKZJLSLZRLPSW-UHFFFAOYSA-N 364.249 3.139 0 30 FGAC O=C(O)c1cccc(Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)c1 148125812 XZZXSKLLOHOYFK-UHFFFAOYSA-N 359.359 3.234 0 30 FGAC CCOC(=O)N[C@@](Nc1ccccc1Cl)(C(=O)OCC)C(F)(F)F 2050630 MZGVFNRPLJIVSH-ZDUSSCGKSA-N 368.739 3.320 0 30 FGAC COCCCCOP(=O)(OCCCCOC)OCCCCOC 33637264 RJAXJFWBJQWSHY-UHFFFAOYSA-N 356.396 3.424 0 30 FGAC O=C(C[C@H]1CCC[C@@H]1C(=O)O)c1ccccc1I 83328556 AVVNAOHVFDKTII-ZJUUUORDSA-N 358.175 3.365 0 30 FGAC COc1cc(OC)c2c(=O)c3c(oc2c1)-c1cc(OC)c(OC)cc1CO3 14725565 TUFMERGRUFLWPI-UHFFFAOYSA-N 370.357 3.387 0 30 FGAC biogenic CN(C)C(CC=NNc1ncc(C(F)(F)F)cc1Cl)=C(C#N)C#N 254408503 WJWIYHHZDBVMGJ-UHFFFAOYSA-N 356.739 3.404 0 30 FGAC COc1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)Nc2ccccc2)cc1 1044180 ZMTFTHZMHFVCDB-SFHVURJKSA-N 351.406 3.304 0 30 FGAC Cc1nc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1Br 221844812 VGHOGYNUOPTRLI-UHFFFAOYSA-N 370.291 3.205 0 30 FGAC COc1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)Nc2ccccc2)cc1 1044179 ZMTFTHZMHFVCDB-GOSISDBHSA-N 351.406 3.304 0 30 FGAC COc1ccc(Cl)cc1N1C(=O)C[C@@H](Sc2ccccc2N)C1=O 100393897 YNMWMMFZMABGKB-OAHLLOKOSA-N 362.838 3.355 0 30 FGAC Cc1csc2c(N3CCN(C(=O)Nc4ccccc4)CC3)ncnc12 1027173 HKQZNRMQCCDIOX-UHFFFAOYSA-N 353.451 3.354 0 30 FGAC CCOc1ccc(Br)cc1C=NNC(=O)c1ccccc1O 254813582 UMHHVURQZHMZGL-UHFFFAOYSA-N 363.211 3.317 0 30 FGAC Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1 19924926 VYMAMAUKIHLLFW-OAQYLSRUSA-N 365.477 3.284 0 30 FGAC CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1Br)C(=O)O 95749331 SQUBOYNYBZABGR-NSHDSACASA-N 358.232 3.217 0 30 FGAC C#C[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 96030814 NVEXGWVOAPQSMX-GIOMAFRCSA-N 356.462 3.034 0 30 FGAC CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/[C@H]1C(=O)N(c2ccccc2)N=C1C 100059376 VPRMWULSLZNZRG-ODCSKCBCSA-N 374.404 3.021 0 30 FGAC CCOC(=O)[C@@](NC(C)=O)(Nc1ccccc1C(F)(F)F)C(F)(F)F 3138005 UUIDLOUOXFALAU-GFCCVEGCSA-N 372.265 3.075 0 30 FGAC O=C(NC(=O)c1ccccc1Cl)Nc1ccc2c(c1)S(=O)(=O)C=C2 1040521 GKADZDQTJJUSFA-UHFFFAOYSA-N 362.794 3.060 0 30 FGAC COC(=O)Cc1nc(NC(=O)c2nc(-c3ccccc3)oc2C)sc1C 1028510 MTCHJQINDLVSDK-UHFFFAOYSA-N 371.418 3.383 0 30 FGAC O=C(NN1CCOCC1)c1csc(Cc2c(Cl)cccc2Cl)n1 1047470 JCPYEYYZOSRBQV-UHFFFAOYSA-N 372.277 3.018 0 30 FGAC c1ccc(-c2cc(Sc3nnc(-c4ccncc4)o3)n3ncnc3n2)cc1 1035371 AYRDJIJCARMIPU-UHFFFAOYSA-N 373.401 3.388 0 30 FGAC CC(=O)O[C@H]1[C@@H](OC(=O)C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 49601311 BUTUNJHEBGRWGK-ROUUACIJSA-N 374.389 3.136 0 30 FGAC biogenic NCCc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1 95642086 JQAROJWIDOPIQJ-UHFFFAOYSA-N 355.445 3.015 0 30 FGAC CO[C@H](CN1CCN(CC[C@H](O)c2ccccc2)CC1)c1ccccc1 22462965 QSRHLIUOSXVKTG-FCHUYYIVSA-N 354.494 3.115 0 30 FGAC in-man CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1cccc(OC(F)(F)F)c1 95752486 LLNGMPXXRCTQEB-ZDUSSCGKSA-N 360.376 3.337 0 30 FGAC CO[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 232106735 CLYSYMKTXNTISA-CYBMUJFWSA-N 355.390 3.015 0 30 FGAC COc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(Cl)cc3)C2)cc1 1035216 LULMBYHRWYFZBH-HNNXBMFYSA-N 372.852 3.378 0 30 FGAC CC(C)(C)OC(=O)CN1CC[C@@H](c2ccccc2Br)C1=O 607717002 LCTQPILDQRZTNR-LBPRGKRZSA-N 354.244 3.107 0 30 FGAC O=C(O)C[C@@H](NC(=O)Cc1ccccc1)c1cccc(Br)c1 16698289 JYOOBMKOMJYPHP-OAHLLOKOSA-N 362.223 3.324 0 30 FGAC Cc1cc(S(=O)(=O)N2CCC[C@H](Cn3cccc3)C2)cc(C)c1F 1023995 WKYIVRJNZJNFRQ-MRXNPFEDSA-N 350.459 3.345 0 30 FGAC COc1ccc([C@@H]2SCCN2C(=O)c2ccccc2C(=O)O)cc1OC 5361255 STNQDSKNJKXALL-SFHVURJKSA-N 373.430 3.290 0 30 FGAC CCCN(CCC)C(=O)[C@@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1 33609324 BSYCXIOQCHQTSA-HNNXBMFYSA-N 350.846 3.120 0 30 FGAC C[Si](C)(C)CCOCn1nc(Br)nc1Br 219331023 RMQHUTDZCYCWIW-UHFFFAOYSA-N 357.122 3.115 0 30 FGAC CC(C)(C)c1ccc(C(=O)c2c(N)nc3ccc(-c4cn[nH]c4)cn23)cn1 642882010 SQVKKKIVRLXDPA-UHFFFAOYSA-N 360.421 3.230 0 30 FGAC O=C1OCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc21 1032490 FUUCLZFTFNYEHF-UHFFFAOYSA-N 357.309 3.177 0 30 FGAC C[C@]12CC[C@@H]3C(=CCc4cc(OS(=O)(=O)O)ccc43)[C@@H]1CC[C@H]2O 33986673 IVPYDRYLQPJSBW-OWLYRPNTSA-N 350.436 3.005 0 30 FGAC biogenic CC(C)(C)OC(=O)N1CCCN(c2cccc3c(C(=O)O)nccc23)CC1 95616919 ZIJQRSMJGQIGOT-UHFFFAOYSA-N 371.437 3.380 0 30 FGAC CC(=O)NCCCC(=O)c1ccc(Cl)cc1CCC(=O)OC(C)C 1906796 ZFKWRQUCLXBKNL-UHFFFAOYSA-N 353.846 3.323 0 30 FGAC CN1CC[C@]23Oc4ccccc4[C@H](N(C)[C@@H](c4ccccc4O)[C@H]2C1)N3C 19328008 WATXURHNNPDFGA-YCZSINBZSA-N 365.477 3.050 0 30 FGAC CC(C)(C)c1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3cccs3)s2)cc1 4344597 YYADMAHXTRHRCL-JYFOCSDGSA-N 369.511 3.288 0 30 FGAC Oc1ccc(N/C=C\c2nnnn2-c2ccc(Br)cc2)cc1 100209510 JKWLENRGAOLTQV-KTKRTIGZSA-N 358.199 3.213 0 30 FGAC CC(C)(C)C(=O)CSc1n[nH]c(=O)n1-c1ccccc1C(F)(F)F 1030389 NITYSAHPBSDNFG-UHFFFAOYSA-N 359.373 3.287 0 30 FGAC O=C(NCc1cccc(N2CCCCC2)n1)c1cccc2nsnc12 12340976 RIFBAQCPSQKMKZ-UHFFFAOYSA-N 353.451 3.007 0 30 FGAC O=C(CCCCCNC(=O)OCc1ccccc1)NO[C@H]1CCCCO1 15042576 DEMUYZZRRHRWHJ-SFHVURJKSA-N 364.442 3.048 0 30 FGAC CSC1=NCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 1024684 AFCAWQZZROTRSQ-UHFFFAOYSA-N 359.687 3.370 0 30 FGAC CCCC[Sn](CCCC)(CCCC)c1nnn(C)n1 197021450 SIPBTBKIHBJNLN-UHFFFAOYSA-N 373.133 3.266 0 30 FGAC O=C(NC(NCc1ccco1)(C(F)(F)F)C(F)(F)F)c1cccnc1 20432345 GRMRYBJRXBYBPP-UHFFFAOYSA-N 367.249 3.015 0 30 FGAC O=S(=O)(C=Cc1ccc2c(c1)OCO2)NCc1ccc(Cl)cc1 2265279278 AWVLYESZGHKYDG-UHFFFAOYSA-N 351.811 3.159 0 30 FGAC CC(C)N(CCOc1nc2cnccn2c(=O)c1-c1ccccc1)C(C)C 5442035 DJMXYDACLUVFQX-UHFFFAOYSA-N 366.465 3.254 0 30 FGAC c1csc(-c2nnc3n2N=C(c2ccc4c(c2)OCCO4)CS3)c1 1034275 APHIYUOXFVTPRD-UHFFFAOYSA-N 356.432 3.136 0 30 FGAC COC(=O)c1cc(O)n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1034936 OYANKMYAXNBFHA-UHFFFAOYSA-N 354.206 3.402 0 30 FGAC C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@H]1CC[C@H]2O 257157363 QZIGLSSUDXBTLJ-ILOCAZANSA-N 352.452 3.085 0 30 FGAC CC1(C)C=Cc2c(ccc([C@H]3COc4cc(O)cc(O)c4C3=O)c2O)O1 1858787 JNDPLDZUOFZXIG-CYBMUJFWSA-N 354.358 3.347 0 30 FGAC biogenic COc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)c(OC)c1 1025591 GQZWJRCESRQKDZ-UHFFFAOYSA-N 359.447 3.182 0 30 FGAC C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@H]1CC[C@H]2O 299872645 QZIGLSSUDXBTLJ-ZKXLYKBJSA-N 352.452 3.085 0 30 FGAC O=S(=O)(NC[C@@H](O)c1ccccc1)c1cc(Cl)sc1Cl 1033249 DULGNNGFMISXLI-SECBINFHSA-N 352.264 3.067 0 30 FGAC CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3[C@@H]3C(=O)O[C@]32C1 2265351763 RIPSLISXMVHVFT-GOISNZLUSA-N 360.450 3.045 0 30 FGAC CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@]1(C(=O)O)CCOC1 226780838 AURQPGDIHILZJC-NRFANRHFSA-N 367.401 3.111 0 30 FGAC COC(=O)c1cc([C@H](O)CNC(C)(C)C)ccc1OCc1ccccc1 140945142 XKKHEBAZHSBZQI-GOSISDBHSA-N 357.450 3.474 0 30 FGAC CC(C)(C)OC(=O)N1CC[C@@H]2NC[C@H]3C[C@@]2(C)[C@H](C1)N3Cc1ccccc1 725712240 LJBRUMZYXSAIGH-MDPIYQRISA-N 371.525 3.248 0 30 FGAC biogenic O=C(C=Cc1ccccc1)N1CCC(c2nnc(O)n2-c2ccccc2)CC1 2265279570 YYPRURLXTRRXBR-UHFFFAOYSA-N 374.444 3.392 0 30 FGAC Cc1cc(C)c(-n2nnnc2S[C@@H]2Cc3ccccc3C2=O)c(C)c1 1029992 VERZUKRHKBWQTC-MRXNPFEDSA-N 350.447 3.487 0 30 FGAC COC(=O)[C@@H](Cc1ccccc1)S[C@H](Cc1ccccc1)C(=O)OC 96334064 YQJRVIRCXOLDDK-QZTJIDSGSA-N 358.459 3.288 0 30 FGAC CC(C)c1ccc(NC(=O)CSc2n[nH]c(=O)n2Cc2ccco2)cc1 15923294 WBRFHUJIRMSAGT-UHFFFAOYSA-N 372.450 3.067 0 30 FGAC CO[C@@H](CN1CCN(CC[C@H](O)c2ccccc2)CC1)c1ccccc1 22027602 QSRHLIUOSXVKTG-VXKWHMMOSA-N 354.494 3.115 0 30 FGAC in-man CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)O 473090633 WYABUBZWZAONDD-NSHDSACASA-N 373.331 3.388 0 30 FGAC O=C1c2cccc3c(Sc4ccccc4)ccc(c23)C(=O)N1NCCO 3134035 GDXDDRCXLQWXJT-UHFFFAOYSA-N 364.426 3.084 0 30 FGAC CSc1c(-c2cccs2)c(N)nn1S(=O)(=O)c1ccccc1 1041390 QBSKWTUHAJLSSN-UHFFFAOYSA-N 351.478 3.153 0 30 FGAC COc1ccccc1CNc1nc(C)nc2c1nnn2Cc1ccccc1 4968049 DEGVIVWDVKUNNP-UHFFFAOYSA-N 360.421 3.199 0 30 FGAC O=S(=O)(CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1048621 UQLKRAFFXYZVBU-UHFFFAOYSA-N 365.259 3.199 0 30 FGAC Cc1oc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(F)cc1 1028602 RAGOMXMCBDKDJW-UHFFFAOYSA-N 366.414 3.154 0 30 FGAC O=C(NC1CCCCC1)N1CCN(c2ncccc2C(F)(F)F)CC1 19924660 QSHFQMBSVDYLGK-UHFFFAOYSA-N 356.392 3.265 0 30 FGAC Cc1cc(C)c(C)c(NC(=O)CN2CCN(c3ccccn3)CC2)c1C 29550514 ZMGVBUYVHOXEDX-UHFFFAOYSA-N 352.482 3.076 0 30 FGAC C=CC(=O)OCCOc1ccc(C(C)(C)c2ccc(OCCO)cc2)cc1 33606188 JMVPGRARYOWXAT-UHFFFAOYSA-N 370.445 3.492 0 30 FGAC CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)OC(C)(C)C 309993917 AZTSBAWJROLRIQ-QILLFSRXSA-N 365.470 3.420 0 30 FGAC CC1(C)CC(Nc2cc([N+](=O)[O-])c(F)cc2[N+](=O)[O-])CC(C)(C)N1[O] 223593581 YXMWNSVKJAXURR-UHFFFAOYSA-N 355.346 3.421 0 30 FGAC Cn1cc(Br)c(-c2cccc(NC(=O)CCCC(=O)O)c2)n1 4324708 XTPPEFQTKLHVOK-UHFFFAOYSA-N 366.215 3.043 0 30 FGAC Cn1cc(CCNC(=O)c2ccc3c(c2)OCCCO3)c2ccccc21 618545754 WDMYBSQIZKSJHS-UHFFFAOYSA-N 350.418 3.312 0 30 FGAC CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(CO)nc2)cc1 26005230 SCVWZQQMIZJGJY-UHFFFAOYSA-N 374.849 3.360 0 30 FGAC endogenous,world O=C(c1cccc2nsnc12)N1CCN(c2cccc(Cl)c2)CC1 12366640 BWTGQLPHWFHOFI-UHFFFAOYSA-N 358.854 3.307 0 30 FGAC CCC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C(F)(F)F)c1 537777 GNWHIAXZYUDAFX-UHFFFAOYSA-N 373.356 3.059 0 30 FGAC in-man O=C(O)COCC(=O)Nc1ccc(Oc2c(Cl)cccc2Cl)nc1 4334865 IMSXDLKOKNEPKK-UHFFFAOYSA-N 371.176 3.220 0 30 FGAC Cn1c2ccccc2c2nnc(SCC(=O)NC3CCCCCC3)nc21 1366046 QNBBNBOWOVDJLK-UHFFFAOYSA-N 369.494 3.448 0 30 FGAC CCCCC/C=C\C[C@H](O)[C@H](O)/C=C/[C@@H](O)C/C=C\CCCC(=O)O 12495388 WPLPEZUSILBTGP-AYUWUTFTSA-N 354.487 3.353 0 30 FGAC endogenous,in-man CCCCC[C@H](O)C=C[C@H]1[C@@H]2CC(=CCCCC(=O)O)O[C@H]2C[C@H]1O 2265339967 KAQKFAOMNZTLHT-HZZCBIDNSA-N 352.471 3.409 0 30 FGAC O=C1CCCN1c1ccc(S(=O)(=O)Oc2ccccc2Cl)cc1 3129030 MIOADHXJSYILIX-UHFFFAOYSA-N 351.811 3.235 0 30 FGAC O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2cccn2)cc1 4333800 QLAQDYCXRMLJAK-UHFFFAOYSA-N 360.461 3.267 0 30 FGAC CSc1nnc(SCCS(=O)(=O)c2ccc(Cl)cc2)s1 1038757 VGTRRGZCPGOGLJ-UHFFFAOYSA-N 366.942 3.479 0 30 FGAC CON=C(CS(=O)(=O)Cc1ccc(OC)cc1)c1ccc(Cl)cc1 254848137 DABANPLIKWMFPM-UHFFFAOYSA-N 367.854 3.314 0 30 FGAC Cc1cc(NS(=O)(=O)c2ccc(N)cc2)n(-c2cccc(Cl)c2)n1 538390 TZSHGYFVCVETTH-UHFFFAOYSA-N 362.842 3.217 0 30 FGAC in-man CCS(=O)(=O)c1ccc([C@H](NC[C@@H]2CCCN2C)c2ccccc2)cc1 142007407 BPOMHMYXSZARSO-PZJWPPBQSA-N 372.534 3.253 0 30 FGAC CCOC(=O)C1CCN(C(=S)Nc2ccc(Br)cc2)CC1 1043297 PHESFNPAMRVJCF-UHFFFAOYSA-N 371.300 3.421 0 30 FGAC COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H]3[C@@H](OC)OC[C@H]32)ccc1O 257517307 PWKVHHWFBTXMHU-RSMHBEIYSA-N 372.417 3.038 0 30 FGAC biogenic CCOC(=O)c1nc(C)sc1-c1ccnn1C(=O)c1ccc(OC)cc1 1048024 BCNYHMRZHLIJAZ-UHFFFAOYSA-N 371.418 3.189 0 30 FGAC O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCCC1 1040135 ZBCTXMYSPXEDKT-UHFFFAOYSA-N 352.359 3.206 0 30 FGAC CCOC(=O)NC(Nc1ccc(C(=O)O)cc1)(C(F)(F)F)C(F)(F)F 1644561 OBYAPSBFZPVRQA-UHFFFAOYSA-N 374.237 3.364 0 30 FGAC CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccc(OC(F)(F)F)cc1 95752494 ROBPAVACDFGVRQ-ZDUSSCGKSA-N 360.376 3.337 0 30 FGAC Brc1ccc(-n2nnnc2/C=C/NCc2ccccc2)cc1 4300937 PBVHEJMNFVRXHX-ZHACJKMWSA-N 356.227 3.185 0 30 FGAC C[C@H]1CN(c2ccc(NC(=S)N3CCSCC3)cc2)C[C@H](C)O1 1040883 ISJUIZJNFNPIHS-KBPBESRZSA-N 351.541 3.046 0 30 FGAC O=C1c2cccc3c(Br)ccc(c23)C(=O)N1C[C@@H]1CCCO1 4381590 JKPNFAFDRIARQE-JTQLQIEISA-N 360.207 3.377 0 30 FGAC Cc1csc(NC(=O)COCC(=O)O)c1-c1nc2ccccc2s1 1032597 PDNQAICCZHPLFL-UHFFFAOYSA-N 362.432 3.373 0 30 FGAC CCN(CC)CCOC(=O)[C@H]1Oc2ccccc2O[C@@H]1c1ccccc1 1853396 YIHMFBQILBFSPM-UXHICEINSA-N 355.434 3.453 0 30 FGAC CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H]2OC(=CCCCC(=O)O)C[C@@H]21 2265339968 KAQKFAOMNZTLHT-NLNMYJFZSA-N 352.471 3.409 0 30 FGAC CC(C)(C)OC(=O)N1CC[C@@](C(=O)O)(c2ccc(Br)cc2)C1 725376379 VBOJKBBDPANJFO-INIZCTEOSA-N 370.243 3.412 0 30 FGAC COc1ccc(C[C@H](CO)CNC(=O)OC(C)(C)C)cc1Br 234850494 JLGOHRHRGMWDJI-LBPRGKRZSA-N 374.275 3.133 0 30 FGAC Cc1ccc(S(=O)(=O)NC(=O)NCc2csc3ccccc23)cc1 1041445 QEGQBMCXVJVIAV-UHFFFAOYSA-N 360.460 3.398 0 30 FGAC CC(=O)c1ccc(Oc2nc(N3CCN(C)CC3)nc3ccccc23)cc1 33895887 BTNKYUBXQPGOCR-UHFFFAOYSA-N 362.433 3.377 0 30 FGAC CCOC(=O)c1cnc2c(c(C)nn2C)c1N1CCC(n2cccc2)CC1 19835323 BTKPZQJRLLZQLG-UHFFFAOYSA-N 367.453 3.096 0 30 FGAC CC(C)(C)OC(=O)N1CC[C@](C(=O)O)(c2cccc(Br)c2)C1 725374283 BIGFBTXXYHIDNB-MRXNPFEDSA-N 370.243 3.412 0 30 FGAC CC(=O)N(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1 1038072 QDEUSARICZCZCS-UHFFFAOYSA-N 357.884 3.224 0 30 FGAC CCOC(=O)C1CCN(C(=O)Nc2c(-c3ccccc3)noc2C)CC1 1033621 BPWFFHGPJXABQJ-UHFFFAOYSA-N 357.410 3.457 0 30 FGAC Cc1ccc(C(=O)OCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 1031462 UNKZBNZNLJNBGY-UHFFFAOYSA-N 373.352 3.040 0 30 FGAC Nc1ccccc1S[C@H]1CC(=O)N(c2c(F)cccc2Cl)C1=O 100394968 LDVZASOULQWVIU-ZDUSSCGKSA-N 350.802 3.486 0 30 FGAC COC(=O)C=CC(=CNc1ccc(F)cc1)S(=O)(=O)c1ccccc1 2265279018 XHUUOLANMDUIAS-UHFFFAOYSA-N 361.394 3.282 0 30 FGAC O=C(O)/C=C/C(=O)Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1 1033968 LWVDNUDCNQDWIX-GQCTYLIASA-N 370.752 3.050 0 30 FGAC Cn1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)n1 722966938 IUFRHURWADUJLQ-UHFFFAOYSA-N 363.373 3.479 0 30 FGAC C[C@]12CC[C@H]3C(=CCc4cc(OS(=O)(=O)O)ccc43)[C@H]1CC[C@H]2O 33986674 IVPYDRYLQPJSBW-DDBAPUKQSA-N 350.436 3.005 0 30 FGAC CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1/N=N/c1ccc(C)cc1 223626865 IVWDWFBTWVBDIG-VRTBNJGNSA-N 372.406 3.117 0 30 FGAC CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 34131395 QMRVCOQYPZTTAJ-LJQANCHMSA-N 371.458 3.230 0 30 FGAC CCOC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1 4364027 LKNBRRSXHRQBAR-UHFFFAOYSA-N 371.842 3.077 0 30 FGAC Brc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1 1041338 RTZZTWQMZWYXTP-UHFFFAOYSA-N 367.210 3.482 0 30 FGAC COc1ccc(C(=O)C(C=O)=NNc2ccc(OC(F)(F)F)cc2)cc1 254353480 XSWFSFBRTYINPH-UHFFFAOYSA-N 366.295 3.444 0 30 FGAC COC(=O)C(=CNc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 2265279515 DVIWZDBJXOVWNY-UHFFFAOYSA-N 351.811 3.240 0 30 FGAC COc1ccccc1NC(=S)Nc1ccc(C)c(NS(C)(=O)=O)c1 1033003 NLYJKFPNVOMCNJ-UHFFFAOYSA-N 365.480 3.184 0 30 FGAC O=C(O)CSCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4334523 MMJFBTSUDFGACW-UHFFFAOYSA-N 362.373 3.062 0 30 FGAC CCOC(=O)[C@@H]1CCCN(C(=O)Nc2c(-c3ccccc3)noc2C)C1 1033493 HHWBLCURBMCFLN-OAHLLOKOSA-N 357.410 3.457 0 30 FGAC O[C@H](CNCc1ccc2c(c1)OCO2)COc1ccc(Cl)c(Cl)c1 4299586 LHLWGNFFZORFEA-GFCCVEGCSA-N 370.232 3.252 0 30 FGAC CSc1cccc(NC(=S)NNC(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)c1 100242112 JKOCJRHPQCYHTD-MJVIPROJSA-N 364.565 3.039 0 30 FGAC N[C@@H]1COC[C@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)[C@H]1O 1857792987 TYEGZBUDQWXHRE-COXVUDFISA-N 351.233 3.361 0 30 FGAC Cc1nc(-c2ccc(CN(C)C(=O)c3cccc4nsnc34)cc2)no1 12366653 TZFVHJHORUIANO-UHFFFAOYSA-N 365.418 3.322 0 30 FGAC Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Sc1ccc(Cl)cc1 538453 YLEMUUWGEWKCGK-UHFFFAOYSA-N 359.838 3.342 0 30 FGAC endogenous,in-man CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1 89195548 SVHZDIVYRFEIBI-UHFFFAOYSA-N 370.169 3.415 0 30 FGAC COc1cc2c(cc1OC)[C@@H]1N(CC2)C(C(C)=O)=NN1c1ccc(C)cc1 1035539 XIFZHHRBADCEKA-OAQYLSRUSA-N 365.433 3.292 0 30 FGAC C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CC[C@H]2O 3977829 QZIGLSSUDXBTLJ-ICUGJSFKSA-N 352.452 3.085 0 30 FGAC biogenic,in-vitro CC(C)(C)c1ccccc1-n1c(N)cc(=O)n(Cc2ccccc2F)c1=O 1040132 DYLRMLHCWLQUFK-UHFFFAOYSA-N 367.424 3.066 0 30 FGAC COC(=O)c1sccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1 3120088 WBGROSTVLXNTGX-UHFFFAOYSA-N 366.338 3.321 0 30 FGAC CCCCOC(=O)NC(Nc1ncccn1)(C(F)(F)F)C(F)(F)F 4336739 VMFKJVAHWHVNJD-UHFFFAOYSA-N 360.258 3.236 0 30 FGAC O=C(O)[C@H]1c2ccccc2C(=O)N(CC(F)(F)F)[C@@H]1c1cccnc1 205964710 PBUPDIAWZXEDNZ-UONOGXRCSA-N 350.296 3.009 0 30 FGAC Cc1cc(C)cc(N2C(=O)C[C@H](Sc3ccccc3C(=O)O)C2=O)c1 19925021 MVPYRNAORCHANT-INIZCTEOSA-N 355.415 3.426 0 30 FGAC COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)C(Cl)=CC(=O)C[C@@H]1C 32250493 ZARJFOZMHNKHAD-HYORBCNSSA-N 357.189 3.403 0 30 FGAC CC1(C)CC(=O)c2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc(O)c2O1 40863299 QVJWSGOMMDXZOF-INIZCTEOSA-N 370.357 3.254 0 30 FGAC biogenic CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3[C@H]3C[C@@]2(C1)OC3=O 2265351641 OXTBZBICVVJTEG-LRDFBPCDSA-N 374.477 3.435 0 30 FGAC CCS(=O)(=O)c1ccc([C@@H](NC[C@@H]2CCCN2C)c2ccccc2)cc1 142007595 BPOMHMYXSZARSO-FPOVZHCZSA-N 372.534 3.253 0 30 FGAC CCOC(=O)C(C)(C(=O)OCC)c1ccc(C(=O)c2cccs2)cc1 5854762 RSUSQCKVKWHQFM-UHFFFAOYSA-N 360.431 3.363 0 30 FGAC Cc1cc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)no1 3127574 YQGPQNLIQZPSGM-UHFFFAOYSA-N 363.830 3.163 0 30 FGAC CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1Br)C(=O)O 95749332 SQUBOYNYBZABGR-LLVKDONJSA-N 358.232 3.217 0 30 FGAC COC1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)C1 234592642 NKMHJLJKJKLOAJ-UHFFFAOYSA-N 367.401 3.157 0 30 FGAC CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(F)cc2F)CC1 1030008 OBHAGQTZUZYKQQ-UHFFFAOYSA-N 354.397 3.342 0 30 FGAC C[C@H]1CN(c2ccc(NC(=S)N3CCSCC3)cc2)C[C@@H](C)O1 13466655 ISJUIZJNFNPIHS-OKILXGFUSA-N 351.541 3.046 0 30 FGAC CCOC(=O)CSc1nc(-c2ccccc2OC)nc(C)c1C(C)=O 1032009 ZLFDUXGQYIIBJG-UHFFFAOYSA-N 360.435 3.318 0 30 FGAC CCOC(=O)Cc1c(C(=O)O)c(C)c(C(=O)c2ccc(Cl)cc2)n1C 38612212 XIUGDICADCHKIA-UHFFFAOYSA-N 363.797 3.022 0 30 FGAC CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccccc2OC(F)(F)F)C1 95752476 JQUCURLWHUJTSN-ZDUSSCGKSA-N 360.376 3.337 0 30 FGAC O=C(CSCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1 4344805 VASYPRORJRMMDC-UHFFFAOYSA-N 369.895 3.486 0 30 FGAC C[C@H]1CCN(C(=O)C2C[C@@H]3CCC[C@H](C2)C3N)CCN1Cc1ccccc1 262190968 CFVKHVJQNDCBNV-OGQGWYMCSA-N 369.553 3.263 0 30 FGAC CCOC(=O)[C@H]1CCCN(C(=O)Nc2c(-c3ccccc3)noc2C)C1 1033492 HHWBLCURBMCFLN-HNNXBMFYSA-N 357.410 3.457 0 30 FGAC O=C1CC2(CCCC2)C(=O)N1c1ccc(I)cc1 1048450 QSXQVGDQRZXDBV-UHFFFAOYSA-N 355.175 3.115 0 30 FGAC CCOC(=O)N1CCC(NC(=O)Nc2cc(Cl)ccc2OC)CC1 1032815 HWUBOUIRBLFCCG-UHFFFAOYSA-N 355.822 3.091 0 30 FGAC CC(=O)N(C=C1N=C(c2ccccc2)OC1=O)OCc1ccc(Cl)cc1 13398972 BEKDUFPKMDNQHO-UHFFFAOYSA-N 370.792 3.465 0 30 FGAC O=S(=O)(C[C@H](O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1 1042333 LZBUHJVUNPKTLL-CYBMUJFWSA-N 361.246 3.207 0 30 FGAC CCC[C@H](CC)COC[C@H](CN(CC)CC)OC[C@@H](O)CN(CC)CC 31362272 FCYFZZUXLXEBHG-ACRUOGEOSA-N 374.610 3.259 0 30 FGAC COC(=O)c1sccc1NC(=O)NC(=O)c1c(F)cccc1Cl 1026185 LWQWZLVJPSZZCG-UHFFFAOYSA-N 356.762 3.289 0 30 FGAC CCOC(=O)[C@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 1041913 COLSCMUBYGERKI-QMMMGPOBSA-N 354.617 3.326 0 30 FGAC CCCc1c(C(=O)NCc2ccc3c(c2)OCO3)cnn1-c1ccccc1 1032119 SNLCBTZMYIJDJS-UHFFFAOYSA-N 363.417 3.484 0 30 FGAC O=C(NC[C@@H]1OCC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 723262437 CLJYFLPWFCPFNJ-MJGOQNOKSA-N 367.401 3.015 0 30 FGAC C[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 1034406 PZAHBWYLTLSFMT-LLVKDONJSA-N 350.827 3.266 0 30 FGAC COc1ccc(OC[C@H](O)CNC(=O)Nc2cccc3ccccc23)cc1 4325138 HZLDRKHDYVNIDV-MRXNPFEDSA-N 366.417 3.410 0 30 FGAC COc1ccc(/N=N/[C@@H](C(C)=O)C(=O)Nc2ccccc2)c([N+](=O)[O-])c1 111414240 UQVOMHJSPSUJQA-QBNCKDSPSA-N 356.338 3.283 0 30 FGAC COC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 224460167 TUVGBVYFOYCYBF-HXUWFJFHSA-N 355.390 3.015 0 30 FGAC CC(C)CNC(=O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12 1038716 ZHLMDWVKDFZANS-UHFFFAOYSA-N 354.254 3.153 0 30 FGAC CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3[C@@H]3C(=O)O[C@@]32C1 2265351764 RIPSLISXMVHVFT-GRKPZISUSA-N 360.450 3.045 0 30 FGAC O=C(CN1CCC(C(=O)O)CC1)Nc1ccccc1Oc1ccccc1 4333363 DRGCOKHCPQEOLA-UHFFFAOYSA-N 354.406 3.214 0 30 FGAC CC(C)(C)OC(=O)N1CCN[C@H](Cc2cccc(OC(F)(F)F)c2)C1 95752482 XRBJIDGEWJSIMX-CYBMUJFWSA-N 360.376 3.337 0 30 FGAC CC1=CC[C@@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@H]2C1 1041465 KBTQVBXGXBMGNE-STQMWFEESA-N 367.186 3.137 0 30 FGAC CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 34131397 QMRVCOQYPZTTAJ-IBGZPJMESA-N 371.458 3.230 0 30 FGAC COC(=O)c1cccc(NC(=O)NC(=O)c2ccc(C(F)(F)F)cc2)c1 1024497 UIEJUVHGROUJQP-UHFFFAOYSA-N 366.295 3.454 0 30 FGAC CCCCCCCCCCCC[C@H](C(=O)O)[C@@H](C(=O)O)S(=O)(=O)O 145535987 VGIQIGKDANSZJA-KBPBESRZSA-N 366.476 3.339 0 30 FGAC NC(=O)CSc1nc(CN2c3ccccc3Sc3ccccc32)n[nH]1 1036533 DTAOYIVYXJATCE-UHFFFAOYSA-N 369.475 3.185 0 30 FGAC CCOC(=O)c1cnc(SCC(=O)c2ccc(Cl)c(C)c2)nc1N 1037991 HCUXINOWADJVGQ-UHFFFAOYSA-N 365.842 3.172 0 30 FGAC O=C(O)[C@H]1[C@H](F)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 725240600 QFCGUMRVNINJMO-QZTJIDSGSA-N 355.365 3.433 0 30 FGAC CCOC(=O)[C@@H](C=NOC)Sc1ncc(C(F)(F)F)cc1Cl 254743631 AMVZWIUFMNUGCF-SECBINFHSA-N 356.753 3.410 0 30 FGAC O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 1046853 MLUANIIMEAAXBC-UHFFFAOYSA-N 363.744 3.170 0 30 FGAC CCCCOC[C@@H](C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl 34515551 ZKFARSBUEBZZJT-MRVPVSSYSA-N 369.220 3.237 0 30 FGAC N=C(NC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)cc1 15924040 UGZUHDOTBSPJRC-UHFFFAOYSA-N 357.719 3.431 0 30 FGAC O=C1c2cccc3c(Br)ccc(c23)C(=O)N1C[C@H]1CCCO1 4381591 JKPNFAFDRIARQE-SNVBAGLBSA-N 360.207 3.377 0 30 FGAC O=S(=O)(c1ccc(NC(=S)NC2CCCC2)cc1)N1CCCCC1 1045485 ACGFGZMMTSFTGI-UHFFFAOYSA-N 367.540 3.090 0 30 FGAC CC[S@@](=O)CC(=O)Nc1c(-c2ccccc2)oc2ccccc2c1=O 4342718 IXAHGTLGOBWARC-VWLOTQADSA-N 355.415 3.167 0 30 FGAC CCOC(=O)C(=Cc1cc2ccc(OC)cc2nc1Cl)C(=O)OCC 32099781 GDMBFCYLNOYJKR-UHFFFAOYSA-N 363.797 3.406 0 30 FGAC COc1cccc(F)c1CNc1ccc(Br)c2nncn12 2265356098 VZTGJFRSNMCVTR-UHFFFAOYSA-N 351.179 3.252 0 30 FGAC Cc1nc(-c2ccc(S(=O)(=O)NCc3ccccn3)s2)cs1 1023468 BHWLTOYXZZECHF-UHFFFAOYSA-N 351.478 3.054 0 30 FGAC CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@]4(C)CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 253497961 RGYJLJNXCWHSDA-WZXBDPADSA-N 360.494 3.487 0 30 FGAC CC(C)c1ccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1 1029696 AJWVJSABJWGOGM-UHFFFAOYSA-N 369.450 3.222 0 30 FGAC Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C(F)(F)F 1047492 AIWVILYOVCDNBO-UHFFFAOYSA-N 350.753 3.218 0 30 FGAC COC[C@]1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCN1 701045569 WSEUBUKRJRMXEG-JOCHJYFZSA-N 366.461 3.294 0 30 FGAC CN(C)C=C(C(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 6182972 SWSFKIYZLGTLCR-UHFFFAOYSA-N 351.374 3.024 0 30 FGAC O=S(=O)(Nc1ncc(CCN2CCCC2)s1)c1ccc(Cl)cc1 33866381 DQRDIAUPNKSTJM-UHFFFAOYSA-N 371.915 3.236 0 30 FGAC S=c1[nH]c(=S)c2cnc(N3CCN(c4ccccc4)CC3)nc2[nH]1 1036115 FIHHTJFVJMOVKJ-UHFFFAOYSA-N 356.480 3.072 0 30 FGAC CN(C)CCOc1ccc2c(c1)Cc1cc(OCCN(C)C)ccc1O2 2007921 BSOCJVXJLPDOKB-UHFFFAOYSA-N 356.466 3.264 0 30 FGAC O=C(Nc1ccccc1)N1CCCN(c2nccc(C(F)(F)F)n2)CC1 1032603 OHKDLIDYKVUJJN-UHFFFAOYSA-N 365.359 3.240 0 30 FGAC CO[C@@H]1C[C@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 59678351 UZEFBAHAZRPPFE-BFUOFWGJSA-N 367.401 3.109 0 30 FGAC Cc1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)cs1 1023470 WAYUUERFFZCDEQ-UHFFFAOYSA-N 351.478 3.054 0 30 FGAC O=S(=O)(C[C@@H](c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1 20432596 FQKIXGNEUAMLFY-SFHVURJKSA-N 365.882 3.187 0 30 FGAC COC(=O)c1sc(-c2cccs2)cc1NC(=O)CSCC(=O)O 4324567 UJUPAWFDCLDIMU-UHFFFAOYSA-N 371.461 3.020 0 30 FGAC CCOC(=O)C1CCN(Cc2cccc(NC(=O)c3ccco3)c2)CC1 1035991 NBGRDEPVEXXQDL-UHFFFAOYSA-N 356.422 3.307 0 30 FGAC CC(C)(C)CCCCCC(=O)OC[C@H](O)CNCc1cccc(CN)c1 38656297 KCKMOSLSORKFQG-LJQANCHMSA-N 364.530 3.136 0 30 FGAC CC(C)(C)OC(=O)N1CC[C@](C(=O)O)(c2ccc(Br)cc2)C1 725376381 VBOJKBBDPANJFO-MRXNPFEDSA-N 370.243 3.412 0 30 FGAC CCCCC[C@H](O)CC[C@@H](O)[C@@H](O)CCC/C=C/C=C/C=C/C(=O)O 143117307 FKYXIRLNMKHEHY-IRNMEBLBSA-N 354.487 3.353 0 30 FGAC CCOC(=O)c1cnc(Nc2ccc(OC)cc2OC)nc1C(F)(F)F 1027282 FLCZQHPRNVOFSO-UHFFFAOYSA-N 371.315 3.433 0 30 FGAC CC1(C)OC[C@H](CO)N1C(=O)OCC1c2ccccc2-c2ccccc21 72228942 CIAGXVSCTOUOBO-AWEZNQCLSA-N 353.418 3.365 0 30 FGAC CCCCC[C@H](O)C=C[C@H]1[C@@H]2CC(=CCCCC(=O)O)O[C@@H]2C[C@H]1O 2265339966 KAQKFAOMNZTLHT-GPFWEFOESA-N 352.471 3.409 0 30 FGAC COC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 203971372 TUVGBVYFOYCYBF-FQEVSTJZSA-N 355.390 3.015 0 30 FGAC CC(C)(C)OC(=O)N[C@H](Cc1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)O 2265384589 WYABUBZWZAONDD-LLVKDONJSA-N 373.331 3.388 0 30 FGAC Cc1cc(OCc2nnc(-c3ccc4ccccc4c3)o2)c2nncn2n1 1034156 LAQXCUALROPLPH-UHFFFAOYSA-N 358.361 3.215 0 30 FGAC O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1CN1CCOCC1 20223596 DJVJTHNJTNGPFC-UHFFFAOYSA-N 355.825 3.007 0 30 FGAC COc1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1OC1CCCC1 1033835 SLDHCFLFGSXRIZ-UHFFFAOYSA-N 362.426 3.345 0 30 FGAC c1ccc(-n2cc(-c3nc(N4CC4)nc(N4CC4)n3)c3ccccc32)cc1 1727222 DZLJYJWLPAWDIO-UHFFFAOYSA-N 354.417 3.123 0 30 FGAC Cc1nn(C)c(N(C)C(=O)c2ccccc2)c1C(=O)c1ccccc1F 33638486 LQUDTYYBJCQAJE-UHFFFAOYSA-N 351.381 3.375 0 30 FGAC Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 1024744 UJQMJIGXXVXTQP-UHFFFAOYSA-N 366.870 3.286 0 30 FGAC CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)[C@@H](c2ccc(C)cc2)NC(=O)N1 2265326437 OCKNMQHXYKVXQK-GOSISDBHSA-N 361.405 3.138 0 30 FGAC COc1ccc([C@H]2SCCN2C(=O)c2ccccc2C(=O)O)cc1OC 5361228 STNQDSKNJKXALL-GOSISDBHSA-N 373.430 3.290 0 30 FGAC COC(=O)CCCCCCCC(=O)Nc1nnc(C(F)(F)F)s1 4390365 AFLJSLKTKIEVAC-UHFFFAOYSA-N 353.366 3.399 0 30 FGAC Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 1033996 KPWDBHMNPVRBIR-UHFFFAOYSA-N 373.459 3.018 0 30 FGAC O=C(Nc1csnc1-c1c(Cl)cccc1Cl)NN1CCOCC1 1042790 XQYMPPXDLGDGCD-UHFFFAOYSA-N 373.265 3.486 0 30 FGAC O=S(=O)(ON=C1CCCc2occc21)c1ccc(Br)cc1 254509185 RKKJYINLWHCEBK-UHFFFAOYSA-N 370.224 3.488 0 30 FGAC COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(Cl)=CC(=O)C[C@@H]1C 32250496 ZARJFOZMHNKHAD-GYKQLYQFSA-N 357.189 3.403 0 30 FGAC CO[C@]1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 669371906 FAMYABXQYPAHMQ-OAQYLSRUSA-N 367.401 3.111 0 30 FGAC CN1C[C@@H]2CCC[C@H](C1)[C@@H]2OC(=O)[C@](O)(c1ccccc1)C1CCCC1 146989940 ROZOEEGFKDFEFP-CIBWYJFOSA-N 357.494 3.338 0 30 FGAC CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccc(OC(F)(F)F)cc1 95752496 ROBPAVACDFGVRQ-CYBMUJFWSA-N 360.376 3.337 0 30 FGAC CO[C@H](C)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 307332433 AEQYEQGAOKXHCX-BFUOFWGJSA-N 369.417 3.403 0 30 FGAC Cc1nn(-c2ccccc2)nc1C(=O)c1c(C)nn(-c2ccccc2)c1O 15923531 MUMNIEUNHUXOCU-UHFFFAOYSA-N 359.389 3.006 0 30 FGAC OCCN1CCN(c2cc(C(F)(F)F)nc3c(Cl)cccc23)CC1 20443886 DRGPCOAUQURISS-UHFFFAOYSA-N 359.779 3.021 0 30 FGAC Cc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)OC[C@@H]1CCCN21 1034519 XLJNBULAKVYNLP-HNNXBMFYSA-N 362.426 3.296 0 30 FGAC COc1ccc(C[C@@H](CO)CNC(=O)OC(C)(C)C)cc1Br 234869043 JLGOHRHRGMWDJI-GFCCVEGCSA-N 374.275 3.133 0 30 FGAC Cc1ccc(C(=O)O[C@H]2CO[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3C2)cc1 83407130 CYNQIKSKCVESCU-RCLSDMTESA-N 354.402 3.424 0 30 FGAC in-vitro CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 33838892 DZUXGQBLFALXCR-GTQXHJKRSA-N 356.503 3.267 0 30 FGAC in-vitro CCOC(=O)C(=Cc1cc2cc(OC)ccc2nc1Cl)C(=O)OCC 32099780 YUTNVKNPYGHDOW-UHFFFAOYSA-N 363.797 3.406 0 30 FGAC CN1C[C@@H]2CCC[C@H](C1)[C@H]2OC(=O)[C@@](O)(c1ccccc1)C1CCCC1 263589777 ROZOEEGFKDFEFP-IMLKGASGSA-N 357.494 3.338 0 30 FGAC CN(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 21298790 SBFNYLJURQTYIU-LBPRGKRZSA-N 360.451 3.002 0 30 FGAC O=C(NCc1cc2ccccc2s1)c1ccc(N2CCOCC2)nc1 20223748 JJJXXRUMARPFJE-UHFFFAOYSA-N 353.447 3.063 0 30 FGAC CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccc(OC(F)(F)F)cc2)C1 95752490 GVJAKRSIPWCYTJ-CYBMUJFWSA-N 360.376 3.337 0 30 FGAC Cn1c(CNC(=O)OC(C)(C)C)nnc1SCc1cc(F)cc(F)c1 1040274 QESLMWQYMNQYNW-UHFFFAOYSA-N 370.425 3.410 0 30 FGAC COC(=O)c1c(C(=O)OC)n(C)c2cccc3c(F)c(F)c(F)c1c32 32288579 REPKDAPIWRJHBB-UHFFFAOYSA-N 351.280 3.322 0 30 FGAC CC(C)(C)OC(=O)C(c1ccccc1)(c1ccccc1)[C@H](N)CC(=O)O 21301393 SSSPYASXGCTKNM-QGZVFWFLSA-N 355.434 3.116 0 30 FGAC NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1033550 LDTFUGSURGPMKV-UHFFFAOYSA-N 360.222 3.285 0 30 FGAC CC(C)S(=O)(=O)c1cnc(COc2ccc(C(C)(C)C)cc2)nc1N 1035831 QWIMRDWEXOPGQI-UHFFFAOYSA-N 363.483 3.117 0 30 FGAC CCOC(=O)N[C@](Nc1ccccc1Cl)(C(=O)OCC)C(F)(F)F 2050629 MZGVFNRPLJIVSH-CYBMUJFWSA-N 368.739 3.320 0 30 FGAC COc1cc2c(=O)n(Cc3cccs3)c(=S)[nH]c2c(OC)c1OC 1042536 PDHGQBGVGDDPDV-UHFFFAOYSA-N 364.448 3.195 0 30 FGAC CCOC(=O)c1ccc2nc(C(F)(F)F)cc(N3CCOCC3)c2c1 19835342 PMWGXRUQHXQFIN-UHFFFAOYSA-N 354.328 3.267 0 30 FGAC CCCCC[C@H](O)CC[C@@H](O)[C@H](O)CCC/C=C/C=C/C=C/C(=O)O 148660520 FKYXIRLNMKHEHY-UUPUPYAQSA-N 354.487 3.353 0 30 FGAC CCOC(=O)c1c[nH]n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O 1535070914 LMNNEXLZKIKVPL-UHFFFAOYSA-N 368.233 3.380 0 30 FGAC CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1/N=N/c1ccc(C)cc1 223626917 IVWDWFBTWVBDIG-RUNIHZNKSA-N 372.406 3.117 0 30 FGAC O=C(O)CCCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C(F)(F)F 3983634 ALQTUCGEOYCTIA-INIZCTEOSA-N 354.328 3.411 0 30 FGAC CC(C)(CC(=O)O)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 4324582 HNNGRVIWPYOHNJ-UHFFFAOYSA-N 370.852 3.014 0 30 FGAC CC(C)(C)OC(=O)[C@H](Cc1ccccc1)ON1C(=O)c2ccccc2C1=O 95938121 SPIKPMRNIFSZOL-KRWDZBQOSA-N 367.401 3.167 0 30 FGAC COc1cc(C(F)(F)F)c(C(=O)NCc2cccc(OC)c2OC)cn1 1042973 DYWJVWKCPWWZFW-UHFFFAOYSA-N 370.327 3.056 0 30 FGAC O=C(c1ccc(C(F)(F)F)nc1)N1CCO[C@@H](COc2ccccc2)C1 22344706 KBKWHKHUXNINGE-OAHLLOKOSA-N 366.339 3.020 0 30 FGAC CN(C)CCOC(=O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12 5957908 NTVWZYDMHQRDFI-UHFFFAOYSA-N 351.402 3.107 0 30 FGAC CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1048363 FUBFMMANPZCXKA-UHFFFAOYSA-N 374.890 3.018 0 30 FGAC COc1cc(C[C@@H]2CO[C@H](OC)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O 86043705 ORNYSHCOXNAFIY-ZOCZFRKYSA-N 374.433 3.135 0 30 FGAC biogenic O=C(NC[C@H]1OCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 723262441 CLJYFLPWFCPFNJ-PKOBYXMFSA-N 367.401 3.015 0 30 FGAC COc1cc(CNC(=O)c2cnc(OC)cc2C(F)(F)F)cc(OC)c1 1042978 GMBUKZWSBANCJO-UHFFFAOYSA-N 370.327 3.056 0 30 FGAC O=C(O)CCCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C(F)(F)F 3983635 ALQTUCGEOYCTIA-MRXNPFEDSA-N 354.328 3.411 0 30 FGAC COc1cc(C(F)(F)F)c(C(=O)NCc2c(OC)cccc2OC)cn1 1042976 DBDFFJIFOPOWML-UHFFFAOYSA-N 370.327 3.056 0 30 FGAC CC(C)(C)OC(=O)N1Cc2cccc(Br)c2C[C@H]1C(=O)O 716378291 MDSRWZMWZMLQET-LBPRGKRZSA-N 356.216 3.196 0 30 FGAC CO[C@H](CN1CCN(CC[C@@H](O)c2ccccc2)CC1)c1ccccc1 22034312 QSRHLIUOSXVKTG-FGZHOGPDSA-N 354.494 3.115 0 30 FGAC in-man COC(=O)CCc1cc2c(s1)NC(=O)CN=C2c1ccccc1Cl 35636683 UHPPTVSGIOBODT-UHFFFAOYSA-N 362.838 3.297 0 30 FGAC in-vitro C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H](C(=O)O)O1 307331518 ZILOAIGNUCTBAM-YJYMSZOUSA-N 367.401 3.109 0 30 FGAC Cc1nc(N2CCCCC2)ncc1S(=O)(=O)c1ccc(Cl)cc1 1037482 AJFXHTWCUSSWSW-UHFFFAOYSA-N 351.859 3.262 0 30 FGAC N[C@H]1CCO[C@H](C2CCN(C(=O)c3cc(-c4ccccc4)ns3)CC2)C1 564829847 CIUVKQCFBWQFIS-WMZOPIPTSA-N 371.506 3.169 0 30 FGAC Cc1onc(-c2ccccc2)c1CNS(=O)(=O)c1ccc(F)cc1F 1025103 RVEPMGISOPQPRU-UHFFFAOYSA-N 364.373 3.407 0 30 FGAC CNS(=O)(=O)c1cc(Cl)ccc1Sc1ccccc1C(=O)O 4343465 KYJXWTUGFAHVIS-UHFFFAOYSA-N 357.840 3.098 0 30 FGAC O=C(Nc1nc(-c2ccc(OC(F)(F)F)cc2)no1)NN1CCCCC1 1047755 FGKTUBNABNGPOY-UHFFFAOYSA-N 371.319 3.158 0 30 FGAC CC(C)(C)c1cc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N)n2n1 1037355 MIOLADABBREYOE-UHFFFAOYSA-N 364.858 3.095 0 30 FGAC CC(=NNC(=S)NNC(=S)Nc1ccccc1Cl)c1ccco1 254380507 GFQHNCWWHRMQQU-UHFFFAOYSA-N 367.887 3.023 0 30 FGAC CCOC(=O)c1cccc(-c2cnc([C@@H]3CCCN3CCOC)cn2)c1 606241671 UJLNOGOHMITFJC-IBGZPJMESA-N 355.438 3.104 0 30 FGAC CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(C)c1-c1ccccc1 4299567 YZTLNHLIDQNAAU-MDZDMXLPSA-N 359.403 3.480 0 30 FGAC C[S@@](=O)(=Nc1nc(C(=O)O)cs1)c1cccc(Br)c1 1535640439 IPHGQDUUWNXRBN-IBGZPJMESA-N 361.242 3.392 0 30 FGAC COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC)c(C)c2O)c(C)c1O 13375591 YBBZWHIIYJKMKV-UHFFFAOYSA-N 374.389 3.346 0 30 FGAC biogenic CCCCCn1c(SCC(=O)Nc2ccc(Cl)cc2)n[nH]c1=O 2148515 ZBCLMZMYXKGQBR-UHFFFAOYSA-N 354.863 3.146 0 30 FGAC Cn1cnnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 1040893 VASPXTZBAOMKHO-UHFFFAOYSA-N 350.753 3.218 0 30 FGAC O=C(CN1CCCCC1)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 33400611 WSAHGFLWXGOILS-IIBYNOLFSA-N 352.434 3.149 0 30 FGAC CCOC(=O)C12CN(Cc3ccccc3)CC1CN(Cc1ccccc1)C2 114862526 IYIJHSDDEBDFNW-UHFFFAOYSA-N 364.489 3.184 0 30 FGAC CCCCCCCCCCCCOS(=O)(=O)[C@H](CC(=O)O)C(=O)O 100311566 IBPFPLUJEYCCSV-CQSZACIVSA-N 366.476 3.182 0 30 FGAC CC[C@@H](O)CC[C@@H]1[C@H](/C=C/CC/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O 238791454 QFRMQSNTUQFCDH-ARANIFMRSA-N 354.487 3.043 0 30 FGAC CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Oc3cccnc3)o2)CC1 1048513 UELDYVJWZYBGBG-UHFFFAOYSA-N 373.409 3.160 0 30 FGAC CCOC(=O)c1cc(-c2ccccc2)n(CCCN2CCOCC2)c1C 20224136 GDKOEMVWBUMCJY-UHFFFAOYSA-N 356.466 3.363 0 30 FGAC C[C@]12CC[C@@H]3C(=CCc4cc(OS(=O)(=O)O)ccc43)[C@H]1CC[C@@H]2O 139945887 IVPYDRYLQPJSBW-RANZSIQMSA-N 350.436 3.005 0 30 FGAC CC(C)(C)OC(=O)N1CC[C@H](O)C2(CCN(Cc3ccccc3)CC2)C1 953115802 CCPWELBIGSIDRL-SFHVURJKSA-N 360.498 3.271 0 30 FGAC Cc1cc(C)cc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19834890 GUJNOLPIDMOSGI-UHFFFAOYSA-N 367.449 3.382 0 30 FGAC COC(=O)c1cc(/N=N/c2ccc(O)c(CC(=O)O)c2)cc(C(=O)OC)c1 5997492 LNEKRQNMORYHDX-FMQUCBEESA-N 372.333 3.008 0 30 FGAC COC(=O)c1cc(Br)c(C)c(I)c1 95936198 CWYZDZOQRNCQNW-UHFFFAOYSA-N 354.969 3.149 0 30 FGAC COc1cccc(OC)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F 1044664 OLKWLLXSRAKETP-UHFFFAOYSA-N 354.284 3.083 0 30 FGAC CCCCC/C=C\C[C@H](O)[C@H](O)/C=C/[C@H](O)C/C=C\CCCC(=O)O 12495393 WPLPEZUSILBTGP-NGSXCRDOSA-N 354.487 3.353 0 30 FGAC endogenous,in-man C[C@@H]1COC[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 756960402 RDKPPIHDJISOQU-BFUOFWGJSA-N 367.401 3.109 0 30 FGAC CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)[C@H](O)CC(=O)OC(C)(C)C 309682366 AZTSBAWJROLRIQ-YXJHDRRASA-N 365.470 3.420 0 30 FGAC CC1(C)C=Cc2c(ccc([C@@H]3COc4cc(O)cc(O)c4C3=O)c2O)O1 5849236 JNDPLDZUOFZXIG-ZDUSSCGKSA-N 354.358 3.347 0 30 FGAC biogenic CC(C)(C)OC(=O)NCCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](CO)CC1 1504072224 NZSNBYGXDXBYCS-SHTZXODSSA-N 372.506 3.299 0 30 FGAC COc1cc(OC(C)=O)cc2oc(-c3ccc(OC(C)=O)cc3)cc(=O)c12 32289708 NYTKVMBWIZSXCM-UHFFFAOYSA-N 368.341 3.319 0 30 FGAC COc1ccc(C(=O)CSc2n[nH]c(=O)n2[C@H](C)c2ccccc2)cc1 1034341 ALDGFTXHGYIVGR-CYBMUJFWSA-N 369.446 3.164 0 30 FGAC O=C(c1ccc(Cl)cc1)[C@@H](O)CCN1CCN(c2ccccc2)CC1 111876012 VQHXPTDVTYMBEE-IBGZPJMESA-N 358.869 3.096 0 30 FGAC Cc1ccc2c(c1)C[C@@H](N1CCN(CCO)CC1)c1ccccc1S2 33866969 HOEZLOUOKXIJDC-LJQANCHMSA-N 354.519 3.353 0 30 FGAC O=C(CSc1nnc(-c2cccs2)o1)NC(=O)Nc1ccccc1 4335091 DGJSJHNPGWINCH-UHFFFAOYSA-N 360.420 3.239 0 30 FGAC Cc1nc(-c2cccc(CSc3nnc(C(F)(F)F)n3C)c2)no1 1037727 MNVMOYZBIVHMHT-UHFFFAOYSA-N 355.345 3.485 0 30 FGAC O=C(CN1CCCCC1)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 33400615 WSAHGFLWXGOILS-IERDGZPVSA-N 352.434 3.149 0 30 FGAC CCOC(=O)C(C(=O)OCC)C(=O)c1cc(F)c(Cl)cc1Cl 22008689 DYRSCZBWQXEMNL-UHFFFAOYSA-N 351.157 3.058 0 30 FGAC Cc1cc(S(=O)(=O)Nc2ccsc2C(N)=O)c(Cl)cc1Cl 1026188 KLOZYXVSLAOLHV-UHFFFAOYSA-N 365.263 3.263 0 30 FGAC O[C@@H](COC1=NCNc2cc(Cl)ccc21)c1ccc2c(c1)OCCCO2 4334039 ZDODNWOZSFMJJE-INIZCTEOSA-N 374.824 3.381 0 30 FGAC O=C(O)c1cc(Br)ccc1NC(=O)c1ccccc1C(=O)O 21004487 CZHNRPOPMADPAK-UHFFFAOYSA-N 364.151 3.098 0 30 FGAC CNC(=O)N(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1 3083133 CLZJARPRIHRCCU-UHFFFAOYSA-N 372.899 3.017 0 30 FGAC COc1ccc(NC(C)=O)c(NCc2cc(OC)c(OC)c(OC)c2)c1 1026649 XFXFJECTLOMFHN-UHFFFAOYSA-N 360.410 3.292 0 30 FGAC COC[C@@]1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCN1 701045570 WSEUBUKRJRMXEG-QFIPXVFZSA-N 366.461 3.294 0 30 FGAC Cn1c(=O)c(-c2nc(-c3ccccc3)cs2)cn(-c2ccccc2)c1=O 1039738 JFIUZMQLIAVRBF-UHFFFAOYSA-N 361.426 3.327 0 30 FGAC Cc1nc(-c2cccc(CN(C)C(=O)c3cccc4nsnc34)c2)no1 12366654 DSVBWWJDQGFCLS-UHFFFAOYSA-N 365.418 3.322 0 30 FGAC O=C(Cc1ccccc1Br)N1CCCN(c2ccccn2)CC1 15042206 KFQVLKNHTBEHSN-UHFFFAOYSA-N 374.282 3.126 0 30 FGAC COc1cccc(OC)c1CN(C)C(=O)c1cnccc1C(F)(F)F 1043099 FZBUNRKWOMGDAB-UHFFFAOYSA-N 354.328 3.390 0 30 FGAC CCC(=O)N(c1ccccc1)[C@H]1CCN(CCC2OCCCO2)C[C@H]1C 255985511 LKXYBUGCZDVXLN-MJGOQNOKSA-N 360.498 3.293 0 30 FGAC COc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC 6018627 IYBDDRJHJMFFBB-JKSUJKDBSA-N 370.401 3.007 0 30 FGAC biogenic,in-vitro O=C(ON=C1CCS(=O)(=O)c2sccc21)c1cccc(Cl)c1 254555501 VVDANDBNRWALBQ-UHFFFAOYSA-N 355.824 3.140 0 30 FGAC CCN(CCn1c(C)nc2ccccc2c1=O)C(=S)Nc1ccccc1 33874103 BTPFZJXDJVKDTF-UHFFFAOYSA-N 366.490 3.424 0 30 FGAC CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2NC1=O 13737332 AGSGQWMQZLSVCI-PMACEKPBSA-N 366.461 3.094 0 30 FGAC COc1cccc(CNc2nc(C)nc3c2nnn3Cc2ccccc2)c1 33721236 ORKYFKODXUECGH-UHFFFAOYSA-N 360.421 3.199 0 30 FGAC Cc1ccccc1OC[C@@H](O)COC(=O)COc1ccc(Cl)cc1 2017874 QQVJDLLOSTURMS-OAHLLOKOSA-N 350.798 3.010 0 30 FGAC CN1C[C@@H]2CCC[C@H](C1)[C@H]2OC(=O)[C@](O)(c1ccccc1)C1CCCC1 146990127 ROZOEEGFKDFEFP-AXRVMRSRSA-N 357.494 3.338 0 30 FGAC CC(=O)Nc1cc(C(=O)c2cccs2)nn(-c2ccc(Cl)cc2)c1=O 1034025 CYTFTUJFXLBONA-UHFFFAOYSA-N 373.821 3.137 0 30 FGAC O=C(NCc1cccc(Cl)c1)NC(=O)c1ccc(-c2csnn2)cc1 1035066 CHHLEPKXMCKWRB-UHFFFAOYSA-N 372.837 3.498 0 30 FGAC O=C(Nc1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1 19880051 BFDHDGZKUIBUCK-UHFFFAOYSA-N 350.344 3.455 0 30 FGAC O[C@@H](CNCc1ccc2c(c1)OCO2)COc1ccc(Cl)c(Cl)c1 4299585 LHLWGNFFZORFEA-LBPRGKRZSA-N 370.232 3.252 0 30 FGAC COc1ccc(S(=O)(=O)NCc2ccco2)cc1OC1CCCC1 1040037 TYNSLUCTDZFQFY-UHFFFAOYSA-N 351.424 3.088 0 30 FGAC O=S(=O)(c1ccc2c(c1)OCCCO2)N1CC=C(c2ccccc2)CC1 1025589 UHFFFUCEQJMTHS-UHFFFAOYSA-N 371.458 3.326 0 30 FGAC CCOC(=O)[C@@H](CCc1ccccc1)N[C@H]1CCc2ccccc2NC1=O 40435185 AGSGQWMQZLSVCI-VQTJNVASSA-N 366.461 3.094 0 30 FGAC Cc1c(C)c(C(=O)Cn2ccnc2)c(C)c(C)c1CC(=O)n1ccnc1 13209581 DXXGVUQJLGGWMJ-UHFFFAOYSA-N 350.422 3.079 0 30 FGAC O=C(c1sccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19834843 LCSQHRHDGHYGCD-UHFFFAOYSA-N 364.854 3.088 0 30 FGAC C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(Br)cn1 95090841 LXWLEULSPPPTKI-NSHDSACASA-N 356.264 3.290 0 30 FGAC COC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 675079307 SPAKJEFERJUBAX-CYBMUJFWSA-N 355.390 3.015 0 30 FGAC Cc1ccccc1-c1cc(N2CCOCC2)ncc1C(=O)NC(C)(C)C 22012535 QADHVYALIKAFKD-UHFFFAOYSA-N 353.466 3.422 0 30 FGAC Cc1sc2c(c1C)C(O)=C(C(=O)Nc1ccccc1)S(=O)(=O)N2C 15952279 XXAWYHRGGJFCLJ-UHFFFAOYSA-N 364.448 3.010 0 30 FGAC COc1ccc(CCN(C)CCC[S@](=O)c2ccccc2)cc1OC 2265351571 MTDRQRHHWSWUKO-VWLOTQADSA-N 361.507 3.376 0 30 FGAC Cn1c(=O)c2c3c(oc2n(C)c1=O)C=CC=C[C@H]3Sc1ccccc1 223563242 QCHSBNFNTRLLLH-CQSZACIVSA-N 352.415 3.247 0 30 FGAC COc1ccc(CNC(=O)c2cnc(OC)cc2C(F)(F)F)c(OC)c1 1042974 KGUCVQRCNBKMGC-UHFFFAOYSA-N 370.327 3.056 0 30 FGAC O=C(CCl)ON=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 254906506 VBDLNAMPDJIUFJ-UHFFFAOYSA-N 363.200 3.373 0 30 FGAC COC(=O)c1ccc2c(c1)nnn2C1CCN(Cc2ccccc2)CC1 4364990 SCJKJRZRZVPIJZ-UHFFFAOYSA-N 350.422 3.055 0 30 FGAC COc1ccc(C(=O)CSc2nnnn2-c2ccc(C)cc2C)cc1 1030035 XCVVVDYFUYRIGB-UHFFFAOYSA-N 354.435 3.263 0 30 FGAC Cc1nn(-c2ccccc2)nc1CNC(=O)c1ncoc1-c1ccccc1 1034884 IDOAQYJAMLJIPL-UHFFFAOYSA-N 359.389 3.161 0 30 FGAC COc1cccc([C@H]2OC(c3c(C)nc4cc(C)ccn34)=NN2C(C)=O)c1 6413637 IAXLUVBYFHPHKM-HXUWFJFHSA-N 364.405 3.199 0 30 FGAC CC(C)(C)OC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C(=O)O 95775195 QWUDXENKJSOMQR-GFCCVEGCSA-N 356.216 3.196 0 30 FGAC COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@H](N)CC2 198656840 YSTRXCPUTQBTQG-CYBMUJFWSA-N 359.447 3.105 0 30 FGAC in-vitro COc1ccc(C(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 19880066 DCDIUCQWAJUCHJ-UHFFFAOYSA-N 365.355 3.071 0 30 FGAC CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3[C@H]3C(=O)O[C@@]32C1 2265351765 RIPSLISXMVHVFT-RTCDWUPBSA-N 360.450 3.045 0 30 FGAC O=C(CNCc1ccccc1)Nc1ccc(I)cc1 63603546 NHHKLRGYGNMPFP-UHFFFAOYSA-N 366.202 3.020 0 30 FGAC CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@]4(C)CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 253497958 RGYJLJNXCWHSDA-BILOCLSLSA-N 360.494 3.487 0 30 FGAC O=C(O)[C@@H]1[C@@H](F)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 725240601 QFCGUMRVNINJMO-ROUUACIJSA-N 355.365 3.433 0 30 FGAC COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H]3[C@H](OC)OC[C@@H]32)ccc1O 257517308 PWKVHHWFBTXMHU-VUEDXXQZSA-N 372.417 3.038 0 30 FGAC biogenic CC(=O)Nc1cc(C(=O)c2ccc(Cl)cc2)nn(-c2ccccc2)c1=O 1034022 AKUDAJGYCAEUEW-UHFFFAOYSA-N 367.792 3.075 0 30 FGAC Cc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)[C@H](C)C(=O)O)cc1 113874926 CVYRYILZQXPKIF-GFCCVEGCSA-N 353.827 3.317 0 30 FGAC COC(=O)[C@@H](NC(=O)c1nn(CCCCF)c2ccccc12)C(C)(C)C 2265385141 GZGKSDAMWRWYOZ-MRXNPFEDSA-N 363.433 3.104 0 30 FGAC CC(C)(C)OC(=O)N[C@@H](CCc1cccc(Br)c1)C(=O)O 95749107 DYWRPDTYCFIJBL-LBPRGKRZSA-N 358.232 3.360 0 30 FGAC CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccccc2OC(F)(F)F)C1 95752474 JQUCURLWHUJTSN-CYBMUJFWSA-N 360.376 3.337 0 30 FGAC CCCCCOCc1cc(C(C)=O)ccc1OC[C@@H](O)CNC(C)C 5820709 FUNDUUOBYCYREG-IBGZPJMESA-N 351.487 3.334 0 30 FGAC CCOC(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 34283041 WYLIDXHKCNSRSG-UHFFFAOYSA-N 374.871 3.011 0 30 FGAC O=C(c1ccccc1)C1CCN(C(=O)c2cccc3nsnc23)CC1 12366667 JXPGFCDXBLCGBP-UHFFFAOYSA-N 351.431 3.426 0 30 FGAC CC1=CC[C@@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]2C1 100207672 KBTQVBXGXBMGNE-QWHCGFSZSA-N 367.186 3.137 0 30 FGAC COc1ccc(NC(=S)Nc2cc(NS(C)(=O)=O)ccc2C)cc1 1026869 IQWCFTMYOUMYQK-UHFFFAOYSA-N 365.480 3.184 0 30 FGAC CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(Br)n2)CC1=O 536553506 VFIGPGZRHXVGGG-SNVBAGLBSA-N 355.232 3.485 0 30 FGAC CCN(C[C@H]1CCCO1)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1 34156577 XWWOLHDYPCYJOR-OAHLLOKOSA-N 369.417 3.327 0 30 FGAC CCC[C@H](CC)COC[C@@H](CN(CC)CC)OC[C@H](O)CN(CC)CC 5841733 FCYFZZUXLXEBHG-PWRODBHTSA-N 374.610 3.259 0 30 FGAC CCCCCCCCCCCC[C@H](C(=O)O)[C@H](C(=O)O)S(=O)(=O)O 145536399 VGIQIGKDANSZJA-UONOGXRCSA-N 366.476 3.339 0 30 FGAC CC(C)(C)OC(=O)CN1CC[C@H](c2ccccc2Br)C1=O 607717001 LCTQPILDQRZTNR-GFCCVEGCSA-N 354.244 3.107 0 30 FGAC COc1ccc(-c2nc(=O)n(CC3CC3)nc2-c2ccc(OC)cc2)cc1 607830 DMEHEIWCWDNUBJ-UHFFFAOYSA-N 363.417 3.400 0 30 FGAC in-man O=C(O)[C@@H](F)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 725240548 MYWDHWFRKKBMMU-SFHVURJKSA-N 355.365 3.290 0 30 FGAC Cc1nc(C(F)(F)F)ccc1C(=O)Oc1ccccc1N1CCOCC1 1032115 QJZVOXPUKNEIBK-UHFFFAOYSA-N 366.339 3.465 0 30 FGAC FC(F)(F)c1ccnc(NCCNc2nccc(C(F)(F)F)n2)c1 19616336 VHVBBVPHTPFAAL-UHFFFAOYSA-N 351.254 3.433 0 30 FGAC CCOC(=O)c1nc(C)nc(Sc2nc(-c3ccccc3)n[nH]2)c1C 13658860 BQBGKCNGZDTZNA-UHFFFAOYSA-N 355.423 3.206 0 30 FGAC Cn1c(Cn2c3ccccc3c3ccccc32)nnc1SCC(=O)O 4336333 KUFXNKLPSKCWCL-UHFFFAOYSA-N 352.419 3.148 0 30 FGAC CC(C)(C)OC(=O)NCCCC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C 71259695 PHOMBNRVJNRAAP-LBPRGKRZSA-N 360.451 3.049 0 30 FGAC CCS(=O)(=O)c1ccc([C@H](NC[C@H]2CCCN2C)c2ccccc2)cc1 142007786 BPOMHMYXSZARSO-TZIWHRDSSA-N 372.534 3.253 0 30 FGAC COCCNC(=O)CSc1nc(-c2ccc(C)cc2)nc2ccccc12 4895090 KQTRHSRSNLRXPX-UHFFFAOYSA-N 367.474 3.460 0 30 FGAC COCCN(CCOC)C[C@@H](C)C(O)(c1ccccc1)c1ccccc1 33878448 URAUJFHYMVOOBL-LJQANCHMSA-N 357.494 3.153 0 30 FGAC Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCN=[N+]=[N-])=[N+]1[B-]2(F)F 230495748 IKOHTCNDGJLUHG-UHFFFAOYSA-N 374.204 3.302 0 30 FGAC in-vitro Cn1c(=O)c2c3c(oc2n(C)c1=O)C=CC=C[C@@H]3SCc1ccccc1 205012813 CKFIGZOBKBTXRI-HNNXBMFYSA-N 366.442 3.388 0 30 FGAC C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)O 5764461 JSUDNGPWAXYETN-ZBRFXRBCSA-N 352.452 3.436 0 30 FGAC Cc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)OC[C@H]1CCCN21 1034517 XLJNBULAKVYNLP-OAHLLOKOSA-N 362.426 3.296 0 30 FGAC O=C(c1ccc(C(F)(F)F)nc1)N1CCO[C@H](COc2ccccc2)C1 22344710 KBKWHKHUXNINGE-HNNXBMFYSA-N 366.339 3.020 0 30 FGAC CC(C)(C)OC(=O)N1CC[C@H]2NC[C@H]3C[C@@]2(C)[C@H](C1)N3Cc1ccccc1 725712241 LJBRUMZYXSAIGH-NXWNEQKCSA-N 371.525 3.248 0 30 FGAC biogenic CC(=O)O[C@H]1N=C(c2ccccc2Cl)c2nc(Cl)ccc2NC1=O 5166321 UYCMAQWEBUMMAV-MRXNPFEDSA-N 364.188 3.067 0 30 FGAC CC(C)(C)OC(=O)N1CC[C@@H](O)C2(CCN(Cc3ccccc3)CC2)C1 953115801 CCPWELBIGSIDRL-GOSISDBHSA-N 360.498 3.271 0 30 FGAC COc1cc(OC)c2c(c1)-c1cc(OC)c(OC)cc1CCN(C)CC2 14681388 GMRPVRSCPJYUDP-UHFFFAOYSA-N 357.450 3.418 0 30 FGAC biogenic,in-vitro COc1cc(C[C@@H]2CO[C@@H](OC)[C@H]2Cc2ccc(O)c(OC)c2)ccc1O 14642272 ORNYSHCOXNAFIY-VWKPWSFCSA-N 374.433 3.135 0 30 FGAC biogenic Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1NS(C)(=O)=O 1032458 NLBNSFBLGVRCSG-UHFFFAOYSA-N 356.806 3.411 0 30 FGAC CCC[C@H](CC)COC[C@H](CN(CC)CC)OC[C@H](O)CN(CC)CC 5841785 FCYFZZUXLXEBHG-HBMCJLEFSA-N 374.610 3.259 0 30 FGAC Cc1onc(-c2ccccc2)c1CNS(=O)(=O)c1ccc2c(c1)CCO2 4389123 KVNAGZAWAKWRSK-UHFFFAOYSA-N 370.430 3.063 0 30 FGAC CCCCCOCc1cc(C(C)=O)ccc1OC[C@H](O)CNC(C)C 5820708 FUNDUUOBYCYREG-LJQANCHMSA-N 351.487 3.334 0 30 FGAC CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(C(=O)O)cc1)C(C)(C)C 776597994 NLYOJFCNQSFVEH-CYBMUJFWSA-N 350.415 3.263 0 30 FGAC O=C(CN1CCCCC1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 33400613 WSAHGFLWXGOILS-KKSFZXQISA-N 352.434 3.149 0 30 FGAC COc1ccc([C@H](OC(=O)c2c(C)noc2C)C(=O)NC2CCCC2)cc1 1361154 JVEZGZDIMGISPJ-SFHVURJKSA-N 372.421 3.257 0 30 FGAC O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1cnccn1 1041458 HQKMCYLGOBLLLW-UHFFFAOYSA-N 362.105 3.390 0 30 FGAC FC(F)(F)c1cccc(NCCNc2nccc(C(F)(F)F)n2)n1 20421468 QFUSXBTXVVJOOK-UHFFFAOYSA-N 351.254 3.433 0 30 FGAC CON=C(CS(=O)(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 254836488 OYZUGATYLQILOL-UHFFFAOYSA-N 353.827 3.173 0 30 FGAC COc1ccc(Cl)cc1N1C(=O)C[C@H](Sc2ccccc2N)C1=O 1046120 YNMWMMFZMABGKB-HNNXBMFYSA-N 362.838 3.355 0 30 FGAC O=C(O)[C@@H]1[C@H](F)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 725240599 QFCGUMRVNINJMO-MSOLQXFVSA-N 355.365 3.433 0 30 FGAC O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccccn2)s1 1032474 FJXIYSMNZXGOHS-UHFFFAOYSA-N 374.443 3.382 0 30 FGAC O=C(Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C1CC1 4376510 AQZBOTPMPXXCFZ-UHFFFAOYSA-N 374.506 3.282 0 30 FGAC COc1ccc(NC(=S)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1 1033001 FZOFHLFYHUVHQI-UHFFFAOYSA-N 365.480 3.184 0 30 FGAC CCOC(=O)c1sc(CS(=O)(=O)c2ccc(Cl)cc2)nc1C 1047399 GZTHHHREMBSVLG-UHFFFAOYSA-N 359.856 3.256 0 30 FGAC Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2N2CCCCC2)cc1 1034019 KYQVGBQRDAJAGT-UHFFFAOYSA-N 373.478 3.496 0 30 FGAC COc1ccc(C(=O)CSc2n[nH]c(=O)n2[C@@H](C)c2ccccc2)cc1 1034340 ALDGFTXHGYIVGR-ZDUSSCGKSA-N 369.446 3.164 0 30 FGAC Cc1nc(C)c(S(=O)(=O)NCc2c(-c3ccccc3)noc2C)s1 1025111 XNNFCDIIHKFRBW-UHFFFAOYSA-N 363.464 3.202 0 30 FGAC CCCNC(=O)NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20412719 HWOFQMFRVYMBHL-UHFFFAOYSA-N 364.799 3.432 0 30 FGAC CCCOC(=O)[C@@H]1c2cc3c(cc2C[C@@H](C)[C@H]1C(=O)OCCC)OCO3 223778728 UEKQGZQLUMSLNW-NXOUGTEYSA-N 362.422 3.214 0 30 FGAC in-vitro O=S(=O)(c1ccc(Cl)cc1)n1nc(C(F)(F)F)c2cnccc21 1025492 GOYIJWSJFDRSRH-UHFFFAOYSA-N 361.732 3.341 0 30 FGAC O=C(O)CCCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 4334646 VIIRHTGKVJKIII-UHFFFAOYSA-N 364.445 3.156 0 30 FGAC O=C(Nc1ccc2c(c1)N1CCN=C1S2)c1cc2ccccc2c(=O)[nH]1 33536452 RPKWAIFDCGLTCY-UHFFFAOYSA-N 362.414 3.062 0 30 FGAC O=c1[nH]nc(SCc2nnc(-c3ccccc3)o2)n1C1CCCCC1 1047648 GAFLDXIVDDSBIJ-UHFFFAOYSA-N 357.439 3.419 0 30 FGAC Cc1nn(C)c(=O)c(N)c1-c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1 100248876 LLHOWJNGWYUAFI-UHFFFAOYSA-N 350.209 3.035 0 30 FGAC O=C(O)/C=C\C(=O)Nc1ccccc1Sc1nccc(C(F)(F)F)n1 33382241 DVBWUJRSKGUGSE-WAYWQWQTSA-N 369.324 3.226 0 30 FGAC CC(=O)Nc1cc2cc(Br)cc(Br)c2oc1=O 842316 SGEPUIPUKLOENJ-UHFFFAOYSA-N 360.989 3.276 0 30 FGAC CCOC(=O)NC(=S)Nc1sc2c(c1C(=O)OCC)CCCC2 1045644 QTTOOTZNDAUUOF-UHFFFAOYSA-N 356.469 3.247 0 30 FGAC biogenic CC(=O)c1ccc(OCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 3625833 OFTAIGNARYPKPE-UHFFFAOYSA-N 372.852 3.270 0 30 FGAC CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)O)cn1 113465905 NMBIIGCQZPTYNI-UHFFFAOYSA-N 357.366 3.379 0 30 FGAC CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccc(OC(F)(F)F)cc2)C1 95752492 GVJAKRSIPWCYTJ-ZDUSSCGKSA-N 360.376 3.337 0 30 FGAC CCCc1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)OC)cc1 1029233 REJDFZABWARWQI-UHFFFAOYSA-N 351.424 3.436 0 30 FGAC FC(F)(F)c1ccc(CNC2CCN(Cc3ccncc3)CC2)cn1 24887386 OOSWAAIHIODHNJ-UHFFFAOYSA-N 350.388 3.250 0 30 FGAC O=C(NC[C@H]1CC[C@@H](C(=O)O)O1)OCC1c2ccccc2-c2ccccc21 87043805 FDEJQEIPNKRDKI-YJYMSZOUSA-N 367.401 3.157 0 30 FGAC Cc1nc(C)c(S(=O)(=O)NCc2csc(-c3cccs3)n2)s1 4389367 ZDBAYVANMRVQHG-UHFFFAOYSA-N 371.534 3.423 0 30 FGAC O=S(=O)(Cc1ccccc1)NCc1csc(-c2cccs2)n1 1034799 AWPRKXFLNXDFOP-UHFFFAOYSA-N 350.490 3.491 0 30 FGAC CCCCC[C@H](O)CC[C@H](O)[C@H](O)CCC/C=C/C=C/C=C/C(=O)O 148660076 FKYXIRLNMKHEHY-LOXQHHTCSA-N 354.487 3.353 0 30 FGAC O=C(C1CC1)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 1048447 PMEXQJRTEIKYSQ-UHFFFAOYSA-N 364.474 3.417 0 30 FGAC O=S(=O)(Nc1ccc(-c2csnn2)cc1)c1ccc(F)cc1F 1035003 JEUCTYJMRUFFML-UHFFFAOYSA-N 353.375 3.284 0 30 FGAC O=C(COc1ncnc2cc(Cl)ccc12)c1ccc2c(c1)OCCO2 1033609 URPFVTONTHATKL-UHFFFAOYSA-N 356.765 3.316 0 30 FGAC O=C(O)[C@H](F)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 725240547 MYWDHWFRKKBMMU-GOSISDBHSA-N 355.365 3.290 0 30 FGAC O=C(O)CC1(CC(=O)NCc2cc(F)cc3c2OCOC3)CCCCC1 3983493 YGDQKALEWIDXED-UHFFFAOYSA-N 365.401 3.124 0 30 FGAC Cc1cc(C)c(NC(=O)CSCc2cnc(C)c(O)c2CO)c(C)c1 1033174 LAGQQSNHSNDILK-UHFFFAOYSA-N 360.479 3.385 0 30 FGAC Cc1noc(C)c1-c1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)no1 1035013 JSNXMSYOXHWBFH-UHFFFAOYSA-N 367.814 3.110 0 30 FGAC Cc1c(S(=O)(=O)N2CCCc3ccccc32)cnn1-c1ccccc1 1035104 NKMFBJFVFJTAFW-UHFFFAOYSA-N 353.447 3.322 0 30 FGAC CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C/CCCC(=O)O)C[C@@H]21 85534367 NCYSTSFUYSFMEO-ZBHUMANGSA-N 350.455 3.185 0 30 FGAC CC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@](C(=O)OC)(C2)[C@H]13 205458339 MMAYTCMMKJYIAM-NEXUFGMNSA-N 368.477 3.264 0 30 FGAC CSc1nnc(SC)n1CCNC(=O)Nc1cccc(Cl)c1 1031265 RZGYRUAYRBSYQH-UHFFFAOYSA-N 357.892 3.197 0 30 FGAC CCOC(=O)[C@@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 1041912 COLSCMUBYGERKI-MRVPVSSYSA-N 354.617 3.326 0 30 FGAC CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)[C@H](c2ccc(C)cc2)NC(=O)N1 2265326438 OCKNMQHXYKVXQK-SFHVURJKSA-N 361.405 3.138 0 30 FGAC COc1ccc([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2CC2CC2)cc1 1041525 SXGKDGYTHSOEQJ-RTBURBONSA-N 351.402 3.471 0 30 FGAC CC(C)c1cccc(OC(=O)N(C)[S@](=O)OCCc2ccccn2)c1 5314904 NGBSGOAYCXNBNX-VWLOTQADSA-N 362.451 3.474 0 30 FGAC O=C1C(=Cc2cccs2)SC(=Nn2cnnc2)N1c1ccccc1 1398883 BONRPASABPKPIG-UHFFFAOYSA-N 353.432 3.280 0 30 FGAC CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3[C@H]3C(=O)O[C@]32C1 2265351766 RIPSLISXMVHVFT-XELQKFOTSA-N 360.450 3.045 0 30 FGAC CCCCCCCCCCCCOS(=O)(=O)[C@@H](CC(=O)O)C(=O)O 100311565 IBPFPLUJEYCCSV-AWEZNQCLSA-N 366.476 3.182 0 30 FGAC O=C(Nc1cccc(CNC(=O)O[C@@H]2CCOC2)c1)Oc1ccccc1 204687825 MZJDQTWTPPPULE-QGZVFWFLSA-N 356.378 3.313 0 30 FGAC COC(=O)c1ccc(Cl)cc1N(Cc1ccccc1)S(C)(=O)=O 1044586 VMZDQLVWPOVYHN-UHFFFAOYSA-N 353.827 3.093 0 30 FGAC O=C(CSCSCC(=O)NCc1ccccc1)NCc1ccccc1 4377675 QFBIXDIZMZNXKZ-UHFFFAOYSA-N 374.531 3.043 0 30 FGAC Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)o1 19834926 KDJLOANEMKJNKP-UHFFFAOYSA-N 353.344 3.273 0 30 FGAC Cc1ccc(C(=O)N2CCN(Sc3ncnc4sccc34)CC2)cc1 1027249 DGWJTKQMIFXTOG-UHFFFAOYSA-N 370.503 3.465 0 30 FGAC Cn1ncc(-c2nc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)c1CC1CC1 1965926678 RVZJFCNYSSUDCU-JOCQHMNTSA-N 360.893 3.165 0 30 FGAC CN(Cc1cccc(Br)n1)C1CC(NC(=O)OC(C)(C)C)C1 831243433 MXSIARFBKGVPQZ-UHFFFAOYSA-N 370.291 3.332 0 30 FGAC NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 1044570 ROPRBAICYKBHQL-UHFFFAOYSA-N 373.381 3.267 0 30 FGAC CCS(=O)(=O)c1ccc([C@@H](NC[C@H]2CCCN2C)c2ccccc2)cc1 142007995 BPOMHMYXSZARSO-CTNGQTDRSA-N 372.534 3.253 0 30 FGAC Brc1ccc(OCCOc2ccc(Br)cn2)nc1 91356228 GQRBSNHPIYDQPX-UHFFFAOYSA-N 374.032 3.459 0 30 FGAC CCOC(=O)[C@@](NC(=O)c1ccco1)(Nc1ccc(C)cc1)C(F)(F)F 3103584 SGFGFPZLPXFUQV-INIZCTEOSA-N 370.327 3.252 0 30 FGAC CC(C)(C)c1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3ccccc3)s2)cc1 100219733 PRYIAJZDICYOFQ-AXPXABNXSA-N 363.482 3.226 0 30 FGAC CC[S@](=O)CC(=O)Nc1c(-c2ccccc2)oc2ccccc2c1=O 1036723 IXAHGTLGOBWARC-RUZDIDTESA-N 355.415 3.167 0 30 FGAC CCOC(=O)c1ccc(Br)cc1I 238261626 DAYOYSNRJMKALF-UHFFFAOYSA-N 354.969 3.230 0 30 FGAC O=C(O)C(=O)N(c1cccc(C(F)(F)F)c1)c1ccccc1C(=O)O 34030088 GRYJAIYKWWIJBG-UHFFFAOYSA-N 353.252 3.153 0 30 FGAC CN1CCN(C(=O)COc2cc(-c3ccccc3)nc3ccccc23)CC1 20458792 CCSJOSOQEPSMMK-UHFFFAOYSA-N 361.445 3.055 0 30 FGAC COC(=O)c1sccc1NC(=S)Nc1ccsc1C(=O)OC 3045659 OSLDZBWQLGCYAH-UHFFFAOYSA-N 356.450 3.192 0 30 FGAC C=CC(=O)N1CCC[C@H](c2ccnc(Nc3cc(C(=O)O)ccc3C)n2)C1 1774020950 LJHWGTAVBDTEPH-HNNXBMFYSA-N 366.421 3.119 0 30 FGAC COC(=O)[C@H](Cc1ccccc1)S[C@H](Cc1ccccc1)C(=O)OC 96334061 YQJRVIRCXOLDDK-HDICACEKSA-N 358.459 3.288 0 30 FGAC CC(C)C(=O)Oc1cc(OC(=O)C(C)C)cc([C@H](O)CNC(C)(C)C)c1 1846363 WKHOPHIMYDJVSA-QGZVFWFLSA-N 365.470 3.231 0 30 FGAC in-man COCCN(CCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 306784366 HRHBYNFTALYODX-UHFFFAOYSA-N 369.417 3.359 0 30 FGAC Cc1nnc(SCC(=O)c2ccccc2)n1-c1ccc2c(c1)OCCO2 1035893 PXTQGXMZYUAAPR-UHFFFAOYSA-N 367.430 3.322 0 30 FGAC CC(C)(C)OC(=O)N[C@H]1CSc2ccc(Br)cc2NC1=O 38464622 GRJXIHMRZMVAIG-JTQLQIEISA-N 373.272 3.387 0 30 FGAC Cn1c(=O)c2c3c(oc2n(C)c1=O)[C@H](SCc1ccccc1)C=CC=C3 205012904 SSGMGKNVNMIVDF-OAHLLOKOSA-N 366.442 3.388 0 30 FGAC O=c1ccc2cc(OCCCc3nnnn3C3CCCCC3)ccc2[nH]1 39373947 AMUDPKZARIEIJI-UHFFFAOYSA-N 353.426 3.031 0 30 FGAC in-vitro COCCc1ccc(OC[C@@H](O)CNCCCCc2ccccc2)cc1 33868214 ZHEZEVMGVOJQFP-NRFANRHFSA-N 357.494 3.228 0 30 FGAC O=S(=O)(c1ccccc1)n1nccc1-c1cc(-c2ccccc2)no1 4394658 IJUMAJAGSLYUAO-UHFFFAOYSA-N 351.387 3.442 0 30 FGAC CCOC(=O)[C@H](C=NOC)Sc1ncc(C(F)(F)F)cc1Cl 254743632 AMVZWIUFMNUGCF-VIFPVBQESA-N 356.753 3.410 0 30 FGAC FC(F)(F)c1ccnc(NCCNc2ncccc2C(F)(F)F)n1 20421469 IZXXWCVUYYHDSN-UHFFFAOYSA-N 351.254 3.433 0 30 FGAC CSc1[nH]c2c(S(=O)(=O)c3ccccc3)cccc2c(=O)c1C(C)=O 45823870 XKJFZJYNUMFWNV-UHFFFAOYSA-N 373.455 3.285 0 30 FGAC Cc1cc(Cl)ccc1O[C@H](C)c1ccnc2nc(N=CN(C)C)nn12 254479225 OIVKSJRKROUGNG-GFCCVEGCSA-N 358.833 3.448 0 30 FGAC Clc1nc(I)nc(Cl)c1Br 2265378587 ASQTYPRBMLFVFP-UHFFFAOYSA-N 353.772 3.151 0 30 FGAC COC(=O)c1cc(Nc2ccccc2Br)c(=O)n2c1CCC2 98090920 DKOXPRYVTDTRKS-UHFFFAOYSA-N 363.211 3.087 0 30 FGAC COC(=O)[C@H](Cc1ccccc1)S[C@@H](Cc1ccccc1)C(=O)OC 96334063 YQJRVIRCXOLDDK-ROUUACIJSA-N 358.459 3.288 0 30 FGAC CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/[C@H]1C(=O)N(c2ccccc2)N=C1C 100059370 VPRMWULSLZNZRG-IPCNLGOESA-N 374.404 3.021 0 30 FGAC O=S(=O)(c1ccc2nsnc2c1)N1CCCC[C@H]1c1cccnc1 1025677 STMDFUPWBRUBJK-INIZCTEOSA-N 360.464 3.002 0 30 FGAC O=C(O)CCOC1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 725240445 GZLMYJNZLISSGU-UHFFFAOYSA-N 367.401 3.111 0 30 FGAC Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1ccccc1F 4325121 PFMSKWIZQXQRNQ-UHFFFAOYSA-N 351.403 3.028 0 30 FGAC Cc1ccc(NC(=O)NC(=O)c2c(C)noc2-c2snnc2C)cc1 12369721 XKDABFRXUWPGJU-UHFFFAOYSA-N 357.395 3.080 0 30 FGAC CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)CBr 216037130 OXBOONQWFXEVFV-ZDUSSCGKSA-N 372.259 3.061 0 30 FGAC CC(=O)N1CCc2cc(NC(=S)NCCSC(C)(C)C)ccc21 3126188 PPUWWSPGXHAFBN-UHFFFAOYSA-N 351.541 3.414 0 30 FGAC COC(=O)[C@](O)(c1ccc(NC(=O)c2ccc(C)cc2)cc1)C(F)(F)F 3103302 YTKSGTVEQRNBLZ-QGZVFWFLSA-N 367.323 3.170 0 30 FGAC C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(Br)cn1 95090840 LXWLEULSPPPTKI-LLVKDONJSA-N 356.264 3.290 0 30 FGAC CNC(=O)c1ccccc1[S@@](=O)c1cccc2cccc(C(=O)OC)c12 4300970 QOTMMDGJYRGMDJ-SANMLTNESA-N 367.426 3.153 0 30 FGAC O=C(O)C[C@H](NC(=O)Cc1ccccc1)c1cccc(Br)c1 16698291 JYOOBMKOMJYPHP-HNNXBMFYSA-N 362.223 3.324 0 30 FGAC CCn1c(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc2ccccc21 1370936 KLNYKIPGXNDLSB-UHFFFAOYSA-N 364.449 3.027 0 30 FGAC CCC(=O)N(c1ccccc1)[C@@H]1CCN(CCC2OCCCO2)C[C@@H]1C 33889868 LKXYBUGCZDVXLN-PKOBYXMFSA-N 360.498 3.293 0 30 FGAC COc1ccc([C@@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2CC2CC2)cc1 1041523 SXGKDGYTHSOEQJ-RBUKOAKNSA-N 351.402 3.471 0 30 FGAC O=C(O)c1sccc1S(=O)(=O)Nc1ccccc1N1CCCCC1 3881284 LVMRYUZGVABDST-UHFFFAOYSA-N 366.464 3.237 0 30 FGAC in-vitro CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/[C@@H]1C(=O)N(c2ccccc2)N=C1C 100059379 VPRMWULSLZNZRG-MVWSPQEZSA-N 374.404 3.021 0 30 FGAC CN1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)N1CCc3c([nH]c4ccccc34)[C@@H]21 888086554 DZZILJUBKCXAKZ-YXYSEUPNSA-N 371.440 3.053 0 30 FGAC CCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2 5650586 DPXKLWCAXBBFQU-UHFFFAOYSA-N 354.428 3.482 0 30 FGAC CCC(=O)N(c1ccccc1)[C@H]1CCN(CCC2OCCCO2)C[C@@H]1C 33889870 LKXYBUGCZDVXLN-HKUYNNGSSA-N 360.498 3.293 0 30 FGAC O=C(N=S1CCC2(C1)OCCO2)Nc1ccc(OC(F)(F)F)cc1 4361603 UFPXFWUVJVGKGV-UHFFFAOYSA-N 364.345 3.066 0 30 FGAC CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 75248791 LXOFYXAMQPVFHC-UHFFFAOYSA-N 358.360 3.398 0 30 FGAC CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@]4(C)CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 253497960 RGYJLJNXCWHSDA-WTGUVFGISA-N 360.494 3.487 0 30 FGAC CC(=O)O[C@@H]1[C@@H](OC(=O)C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 49601308 BUTUNJHEBGRWGK-ZWKOTPCHSA-N 374.389 3.136 0 30 FGAC biogenic COc1cc2c(cc1OC)O[C@@]1(CC2)c2cc3c(cc2CCN1C)OCO3 105128774 POTBVNIEPLZFJZ-NRFANRHFSA-N 369.417 3.098 0 30 FGAC CCCCOC(=O)C(Br)(Br)Br 5821361 NZZXSGDOZVVHAM-UHFFFAOYSA-N 352.848 3.168 0 30 FGAC O=C(C=Cc1ccc2c(c1)OCO2)N1CCN(c2cccc(Cl)c2)CC1 2265241368 HOUIDWIXIDBEBT-UHFFFAOYSA-N 370.836 3.431 0 30 FGAC CCOC(=O)Cn1nc(-c2ccc(F)cc2)cc(Cc2ccccc2)c1=O 1029438 NJKAHRXATNDZFD-UHFFFAOYSA-N 366.392 3.203 0 30 FGAC Cc1nc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)sc1C 71373530 ATNXJJCJQJQEKA-UHFFFAOYSA-N 359.297 3.223 0 30 FGAC in-vitro CCN(CC)CCOc1ccc(I)nc1Cl 309226363 BTWSRQYPUXWYPO-UHFFFAOYSA-N 354.619 3.060 0 30 FGAC CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CCC(=O)O)s1 4334500 NBNGRSKDTGQTBE-UHFFFAOYSA-N 361.419 3.353 0 30 FGAC CN1C[C@@H]2CCC[C@H](C1)[C@@H]2OC(=O)[C@@](O)(c1ccccc1)C1CCCC1 263589776 ROZOEEGFKDFEFP-HBCLNWRISA-N 357.494 3.338 0 30 FGAC O=c1sn(-c2ccc(F)c(Cl)c2)c(=O)n1C1Cc2ccccc2C1 1029607 ZUJDKYWEMHORHB-UHFFFAOYSA-N 362.813 3.193 0 30 FGAC COC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)/C=C/C(=O)O 1034311 TXGSTHFVVXXQSX-VOTSOKGWSA-N 365.794 3.434 0 30 FGAC O=C(CSc1n[nH]c(=O)n1Cc1ccco1)c1csc2ccccc12 1034336 PYHMBOBWZPYRAF-UHFFFAOYSA-N 371.443 3.402 0 30 FGAC C[C@@H]1CN(c2ccc(NC(=S)N3CCSCC3)cc2)C[C@@H](C)O1 1040882 ISJUIZJNFNPIHS-ZIAGYGMSSA-N 351.541 3.046 0 30 FGAC O=C(CSCCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 4344807 SSFMEFHBONIQHH-UHFFFAOYSA-N 369.895 3.486 0 30 FGAC Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1N1CCOCC1 1033527 DABOPRJJRNNQNC-UHFFFAOYSA-N 365.355 3.498 0 30 FGAC FC(F)(F)c1cc(I)c(Br)cn1 144481917 CQTRWNRVSWLXGL-UHFFFAOYSA-N 351.891 3.468 0 30 FGAC Cn1cc(Cl)c([C@H]2NN=C(SCC(=O)Nc3ccccc3)S2)n1 3137737 RALJYZIMFVAWTI-ZDUSSCGKSA-N 367.887 3.051 0 30 FGAC O=S(=O)(c1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCOCC1 4390418 LABUARYWOJOOJH-UHFFFAOYSA-N 364.172 3.033 0 30 FGAC COC(=O)[C@@](O)(c1ccc(NC(=O)c2ccc(C)cc2)cc1)C(F)(F)F 3103303 YTKSGTVEQRNBLZ-KRWDZBQOSA-N 367.323 3.170 0 30 FGAC O=S(=O)(Oc1ccc2nonc2c1)c1ccc(-c2ccccn2)s1 4347580 XCPPSGAWYNJWOR-UHFFFAOYSA-N 359.388 3.114 0 30 FGAC CC/C=C\C[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 33789778 CBOMORHDRONZRN-GZQGOPIZSA-N 350.455 3.027 0 30 FGAC CC(C)(C)OC(=O)N1CC[C@@](C(=O)O)(c2cccc(Br)c2)C1 725374282 BIGFBTXXYHIDNB-INIZCTEOSA-N 370.243 3.412 0 30 FGAC CC(C)NC[C@@H](O)COc1ccc(-c2cc(=O)c3ccccc3o2)cc1 2002721 AXDUMTIMPJKXRS-MRXNPFEDSA-N 353.418 3.198 0 30 FGAC O=S(=O)(C[C@@H](O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1 1042332 LZBUHJVUNPKTLL-ZDUSSCGKSA-N 361.246 3.207 0 30 FGAC Cc1ccc(S(=O)(=O)NNC(=S)Nc2ccccc2C(C)C)cc1 1046758 YGZMKQTYSVQYSX-UHFFFAOYSA-N 363.508 3.298 0 30 FGAC O=C(NC[C@H]1CCO[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 685944987 MVLHNCWDDXIANN-BFUOFWGJSA-N 367.401 3.015 0 30 FGAC C[N+](CCOCCC#N)(CCOCCC#N)Cc1ccc(Cl)cc1 38648292 OAWQHRYZNUPBMP-UHFFFAOYSA-N 350.870 3.147 0 30 FGAC CN(C(=O)Cc1ccccc1)[C@@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1 7058000 PGZRDDYTKFZSFR-RZUBCFFCSA-N 356.510 3.254 0 30 FGAC biogenic O=C(NC(=S)NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 4394797 IVUZUPRWSKNRMP-UHFFFAOYSA-N 374.775 3.385 0 30 FGAC CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1OC(F)(F)F 95752478 MQHHMBQJZTVJCE-ZDUSSCGKSA-N 360.376 3.337 0 30 FGAC CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1cccc(C)c1)C(F)(F)F 3103593 VUTJGTOLRCFIGQ-MRXNPFEDSA-N 370.327 3.252 0 30 FGAC CC(C)(C)OC(=O)N1C[C@H]2C[C@H](CC(=O)OCc3ccccc3)O[C@H]2C1 383695989 BRZWZXRIFUSUPE-ZACQAIPSSA-N 361.438 3.144 0 30 FGAC CSc1nsc(SC)c1C(=O)NCc1ccc2c(c1)OCO2 1032118 BDVUNBZMIRFATM-UHFFFAOYSA-N 354.478 3.246 0 30 FGAC COc1ccc(S(=O)(=O)N2CCC(c3ccccc3OC)CC2)cc1 1043326 IWUNNSAIBMDYFI-UHFFFAOYSA-N 361.463 3.272 0 30 FGAC CCC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226813820 DRKCNQTXRSDLPI-LJQANCHMSA-N 367.401 3.348 0 30 FGAC O=C(NC[C@@H]1C[C@H](C(=O)O)CO1)OCC1c2ccccc2-c2ccccc21 685939360 QAZWRYZBRRKGPT-KBPBESRZSA-N 367.401 3.015 0 30 FGAC O=C(O)CCn1nc(-c2ccc(F)cc2)cc(Cc2ccccc2)c1=O 4324584 CPINTQHFTDYCIN-UHFFFAOYSA-N 352.365 3.115 0 30 FGAC COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H]3[C@@H](OC)OC[C@@H]32)ccc1O 86043361 PWKVHHWFBTXMHU-YJPXFSGGSA-N 372.417 3.038 0 30 FGAC biogenic CC(C)(C)OC(=O)N1CCC[C@H](NCc2cnc(Cl)nc2Cl)C1 95084482 XRUQSUXATXQMSH-NSHDSACASA-N 361.273 3.273 0 30 FGAC Cn1cnnc1Sc1ccccc1NS(=O)(=O)C=Cc1ccccc1 2265351242 MMQOUNXIDSDFGC-UHFFFAOYSA-N 372.475 3.379 0 30 FGAC CCn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc2ccccc21 1370931 FGHHQHKVXWDZHJ-UHFFFAOYSA-N 352.413 3.158 0 30 FGAC CC1=CC[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@H]2C1 100207676 KBTQVBXGXBMGNE-OLZOCXBDSA-N 367.186 3.137 0 30 FGAC CCc1nc2ccccc2nc1N1CCN(C(=O)c2cccs2)CC1 1027832 CVHGKQAESMTTRV-UHFFFAOYSA-N 352.463 3.216 0 30 FGAC CCCCCCCCCCCC[C@@H](C(=O)O)[C@@H](C(=O)O)S(=O)(=O)O 145536191 VGIQIGKDANSZJA-KGLIPLIRSA-N 366.476 3.339 0 30 FGAC CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C(=O)C2 953091140 RZMXBAKWLWAOCH-UHFFFAOYSA-N 372.465 3.353 0 30 FGAC CCOc1cc(C(=S)NCCCN(C)C)cc(OCC)c1OCC 2006022 KTKADTKOGZYDSQ-UHFFFAOYSA-N 354.516 3.100 0 30 FGAC Cc1ccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 1027061 LEXFDPUGPVOYJN-UHFFFAOYSA-N 361.327 3.306 0 30 FGAC Cc1nc2c(c(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)n1)CCC2 1368910 DSKFADFWDKJHFR-UHFFFAOYSA-N 354.429 3.268 0 30 FGAC CCOC(=O)C(=CNc1cc(OC)cc(C(F)(F)F)c1)C(=O)OCC 2160880 AAZNRKAQPSLGEB-UHFFFAOYSA-N 361.316 3.136 0 30 FGAC CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F 307112504 MAHFDCMVFKTGJD-CABCVRRESA-N 352.406 3.260 0 30 FGAC Cc1cccc(NN=C(C=NN)C(=O)c2ccc(Br)cc2)c1 263622366 RLMNJYLIJGOVNP-UHFFFAOYSA-N 359.227 3.353 0 30 FGAC Cc1cc(C)cc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)O)C2=O)c1 4381429 MVPYRNAORCHANT-MRXNPFEDSA-N 355.415 3.426 0 30 FGAC O=C(O)Cn1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)n1 723258577 IITGXSHEFLGUTI-UHFFFAOYSA-N 363.373 3.329 0 30 FGAC CCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1C1CC1 4881990 LLOWVQCHNPOUQZ-UHFFFAOYSA-N 363.512 3.242 0 30 FGAC Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)cc1 100020731 LZIAIKFDZYAHGW-OALUTQOASA-N 356.491 3.033 0 30 FGAC NCc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21 6094024 QKEZGSCYUMTKFP-UHFFFAOYSA-N 361.353 3.125 0 30 FGAC C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H](C(=O)O)O1 307331508 ZILOAIGNUCTBAM-BFUOFWGJSA-N 367.401 3.109 0 30 FGAC CC(=O)c1csc(CS(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1 1047805 CBBNBFUYBPUXFB-UHFFFAOYSA-N 363.382 3.480 0 30 FGAC Cc1cc(C)c(-n2nnnc2S[C@H]2Cc3ccccc3C2=O)c(C)c1 1029991 VERZUKRHKBWQTC-INIZCTEOSA-N 350.447 3.487 0 30 FGAC CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCC(O)CC3)ccc21 1040324 HHCANAJQYVRHPR-UHFFFAOYSA-N 355.360 3.233 0 30 FGAC COc1ccc(-n2ncc(C(=O)Nc3ccc4nccnc4c3)c2C)cc1 1034827 GYORZTBPQWNDJZ-UHFFFAOYSA-N 359.389 3.385 0 30 FGAC Cc1nnsc1-c1nnc(SCC(=O)c2ccccc2)n1C1CC1 1034105 IVUMTALLWOHAEA-UHFFFAOYSA-N 357.464 3.415 0 30 FGAC CCCOC(=O)[C@@H]1c2cc3c(cc2C[C@H](C)[C@H]1C(=O)OCCC)OCO3 16889996 UEKQGZQLUMSLNW-JBBXEZCESA-N 362.422 3.214 0 30 FGAC in-vitro COc1ccc2c(c1OC)-c1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 2564873 NMGKOLWJHJBERW-CQSZACIVSA-N 355.434 3.473 0 30 FGAC biogenic CCOC(=O)c1cc(C(=O)CSc2ccc(C(F)(F)F)cn2)on1 1035753 QMDUWWZORKDPMR-UHFFFAOYSA-N 360.313 3.240 0 30 FGAC COC(=O)c1cc(Br)nn1-c1ccc(Br)cc1 2265385513 DCZBSMWSMGHLDA-UHFFFAOYSA-N 360.005 3.184 0 30 FGAC CC(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 306164263 LHMLYNGIRFCASH-IBGZPJMESA-N 369.417 3.403 0 30 FGAC O=S(=O)(NCc1ccc2c(c1)OCO2)c1cc(Cl)sc1Cl 1032370 WZKQAWSBSANFFE-UHFFFAOYSA-N 366.247 3.262 0 30 FGAC C[C@]1(NC(=O)OCc2ccccc2)C[C@@H]1NC(=O)OCc1ccccc1 1044271 XHIYXOGJVJHTIE-PXNSSMCTSA-N 354.406 3.370 0 30 FGAC O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCCO2 1034530 XAXBNVQUVQYEMJ-UHFFFAOYSA-N 366.461 3.242 0 30 FGAC CCOC(=O)C1CCN(Cc2cccc(NC(=O)c3cc(C)on3)c2)CC1 4395029 LCGZJQDBWDXKDV-UHFFFAOYSA-N 371.437 3.010 0 30 FGAC Cn1cc(Cl)c([C@@H]2NN=C(SCC(=O)Nc3ccccc3)S2)n1 3137738 RALJYZIMFVAWTI-CYBMUJFWSA-N 367.887 3.051 0 30 FGAC O=S(=O)(NC[C@H](O)c1ccccc1)c1cc(Cl)sc1Cl 1033250 DULGNNGFMISXLI-VIFPVBQESA-N 352.264 3.067 0 30 FGAC Cc1n2c(c[n+]1[O-])C[N+]([O-])=C(c1ccccc1F)c1cc(Cl)ccc1-2 22054576 WBIWFQPWSUQUEA-UHFFFAOYSA-N 357.772 3.073 0 30 FGAC in-vitro CCOC(=O)N1CCC(NC(=O)Nc2cc(C)oc2C(F)(F)F)CC1 1032814 NRWGOOGUZUUWLK-UHFFFAOYSA-N 363.336 3.349 0 30 FGAC Cc1ccc(NS(C)(=O)=O)cc1NC(=S)Nc1ccc(F)cc1 1026866 JNIZXZZNNNFLDV-UHFFFAOYSA-N 353.444 3.315 0 30 FGAC CC(C)(C)OC(=O)N1CC[C@H](c2cccc(Br)n2)CC1=O 536553494 VFIGPGZRHXVGGG-JTQLQIEISA-N 355.232 3.485 0 30 FGAC O=C(O)CCC(=O)Nc1ccc(OC(F)(F)F)cc1Br 1043589 WVJRABJDUJOGJM-UHFFFAOYSA-N 356.094 3.151 0 30 FGAC O=C(O)[C@H]1[C@@H](F)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 725240602 QFCGUMRVNINJMO-ZWKOTPCHSA-N 355.365 3.433 0 30 FGAC Nc1cccc(F)c1CNC[C@H](O)COc1ccc(Cl)c(Cl)c1 4382282 ZNRHAGPLXCUZLK-JTQLQIEISA-N 359.228 3.244 0 30 FGAC CCc1c(OS(=O)(=O)c2ccc(C)cc2)c2ccccc2n(C)c1=O 2565137 ZONCPYFCDLKYAC-UHFFFAOYSA-N 357.431 3.177 0 30 FGAC CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 34064253 KJCQIPXVQPRPPF-WOHDBFHPSA-N 362.510 3.087 0 30 FGAC Cc1ccc2c(c1)C[C@H](N1CCN(CCO)CC1)c1ccccc1S2 33866968 HOEZLOUOKXIJDC-IBGZPJMESA-N 354.519 3.353 0 30 FGAC CC1=CC[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]2C1 100207670 KBTQVBXGXBMGNE-CHWSQXEVSA-N 367.186 3.137 0 30 FGAC CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cccnc2Cl)CC1 128626533 GLAVNJXFPHLZRO-UHFFFAOYSA-N 353.850 3.301 0 30 FGAC Fc1ccc(NC(=S)N2CCCC[C@H]2CCN2CCOCC2)cc1 20412863 AOAMYRDBJZGXIQ-KRWDZBQOSA-N 351.491 3.099 0 30 FGAC O=C(NC[C@@H]1OCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 723262428 CLJYFLPWFCPFNJ-HKUYNNGSSA-N 367.401 3.015 0 30 FGAC CC(C)C(=O)Oc1cc(OC(=O)C(C)C)cc([C@@H](O)CNC(C)(C)C)c1 3643738 WKHOPHIMYDJVSA-KRWDZBQOSA-N 365.470 3.231 0 30 FGAC in-man COC(=O)CSc1cc(C(F)(F)F)nc2c(C(=O)OC)scc12 1039348 BHWSKDZZPHDQBP-UHFFFAOYSA-N 365.354 3.367 0 30 FGAC CCCCOC[C@H](C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl 34515552 ZKFARSBUEBZZJT-QMMMGPOBSA-N 369.220 3.237 0 30 FGAC CN(C(=O)Cc1ccccc1)[C@@H]1CC[C@]2(CCCO2)C[C@H]1N1CCCC1 2559950 PGZRDDYTKFZSFR-KCZVDYSFSA-N 356.510 3.254 0 30 FGAC biogenic O=C(c1cccc2nsnc12)N1CCN(c2ccccc2Cl)CC1 12366661 NUFVGHZQUBLJPO-UHFFFAOYSA-N 358.854 3.307 0 30 FGAC O=C(c1ccccc1NC(=O)C(Cl)(Cl)Cl)N1CCSCC1 1040667 BPNKZENSMPHNOQ-UHFFFAOYSA-N 367.685 3.184 0 30 FGAC CN(C)c1ccc(NS(=O)(=O)c2ccc(-c3csnn3)cc2)cc1 1034074 JCKLMGBBYDWJHH-UHFFFAOYSA-N 360.464 3.072 0 30 FGAC CCOC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 214511735 KLEJEVDXSXCTFY-GOSISDBHSA-N 355.390 3.015 0 30 FGAC Cc1ccccc1OC[C@H](O)COC(=O)COc1ccc(Cl)cc1 2017873 QQVJDLLOSTURMS-HNNXBMFYSA-N 350.798 3.010 0 30 FGAC CN1CCN(c2ccc(NC(=O)c3cccc4c3OC(C)(C)C4)cc2)CC1 4362507 WJQFCSJTRXPUTJ-UHFFFAOYSA-N 365.477 3.404 0 30 FGAC CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@]1(C(=O)O)CCOC1 226780842 AURQPGDIHILZJC-OAQYLSRUSA-N 367.401 3.111 0 30 FGAC CCN(CC)C(=O)Oc1nc(-c2ccccn2)nc(COC)c1CC1CC1 1044873 ZVSSMDFPRPUODT-UHFFFAOYSA-N 370.453 3.478 0 30 FGAC CC(C)(C)OC(=O)N1Cc2cccc(Br)c2C[C@@H]1C(=O)O 716378286 MDSRWZMWZMLQET-GFCCVEGCSA-N 356.216 3.196 0 30 FGAC CN1CCN(Cc2cc(NC(=O)c3ccc(Cl)cc3)ccc2O)CC1 22042472 YXSSCVWDQXKKJA-UHFFFAOYSA-N 359.857 3.045 0 30 FGAC CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccc(F)cc2F)CC1 1036024 ZJZSPTUTGHUHPW-UHFFFAOYSA-N 355.385 3.486 0 30 FGAC O=C(c1cccs1)c1ccc(OCc2nn[nH]n2)c(Cl)c1Cl 6093594 BMJHIHGNLQCIRO-UHFFFAOYSA-N 355.206 3.378 0 30 FGAC CCN(CC)S(=O)(=O)c1cc(N2Cc3ccccc3C2=N)ccc1C 642882974 AQJYROVYLBKUIL-UHFFFAOYSA-N 357.479 3.371 0 30 FGAC O=S(=O)(c1ccccc1C(F)(F)F)N1C=CC(C(F)(F)F)=NCC1 1028355 NMZMERYSZIBZSV-UHFFFAOYSA-N 372.290 3.227 0 30 FGAC Cc1cc(N2CCN(CC(=O)N(C)c3ccccc3)CC2)c2ccccc2n1 4336346 RZJLJUBWLQXICL-UHFFFAOYSA-N 374.488 3.328 0 30 FGAC CN1c2ccsc2C(O)=C(C(=O)Nc2cccc(Cl)c2)S1(=O)=O 100217720 DEUUSUHHZYKGQS-UHFFFAOYSA-N 370.839 3.046 0 30 FGAC CCC(=O)N(c1ccccc1)[C@@H]1CCN(CCC2OCCCO2)C[C@H]1C 255985510 LKXYBUGCZDVXLN-IEBWSBKVSA-N 360.498 3.293 0 30 FGAC CC(C)(C(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 1046963 KZYVUVBLYOGRII-UHFFFAOYSA-N 372.368 3.291 0 30 FGAC Cc1nc(C(F)(F)F)ccc1C(=O)N1C=CC(C(F)(F)F)=NCC1 1029588 DLKAOHAJBNNRRJ-UHFFFAOYSA-N 351.250 3.382 0 30 FGAC C[C@@H](c1ccccc1)n1c(SCC(=O)c2ccc(F)cc2)n[nH]c1=O 4334287 MJPPYDNLCMJGNX-LBPRGKRZSA-N 357.410 3.295 0 30 FGAC CC(C)(CCn1cnc2ccccc21)NC[C@H](O)c1ccc(O)cc1F 3782856 KOTMQCNDGLTIHR-IBGZPJMESA-N 357.429 3.373 0 30 FGAC investigational C[C@@H]1OCCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O 210587503 FARPCFHIMBUWFB-ORAYPTAESA-N 367.401 3.109 0 30 FGAC CC(C)c1cccc(OC(=O)N(C)[S@@](=O)OCCc2ccccn2)c1 5314885 NGBSGOAYCXNBNX-RUZDIDTESA-N 362.451 3.474 0 30 FGAC COC(OC)c1nc(SCc2ccc(Cl)cc2)ncc1C(=O)O 4394692 MWJJTEBABZAZSW-UHFFFAOYSA-N 354.815 3.412 0 30 FGAC