smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN(CC)CCn1c(=S)[nH]c2cc(C(=O)OC)ccc2c1=O 2969720 XFVODBMMLMIHLD-UHFFFAOYSA-N 335.429 2.187 0 1 EEAF Cn1cc(CN2C[C@H](F)[C@@H](OCc3nc4ccc(F)cc4[nH]3)C2)cn1 2356299259 DCGKLVNVMXRROK-BBRMVZONSA-N 347.369 2.175 0 1 EEAF COc1ccc2oc(N3CCNC[C@@H]3COc3cccnc3)nc2c1 114573492 BHOVAOOOJKVCPM-CYBMUJFWSA-N 340.383 2.089 0 1 EEAF O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OC[C@H]1CCCN1 115886069 OIQDJOKBTBWUSD-IQCBXXCUSA-N 332.791 2.364 0 1 EEAF C[C@@H]1O[C@H](OCCCCCCCCCCC(=O)O)[C@H](O)C[C@@H]1O 2356629474 GEMAYWCAMMUVTD-MPTYRVRUSA-N 332.437 2.455 0 1 EEAF CNc1nc(N)nc2cc(-c3ccccc3S(C)(=O)=O)ccc12 35812616 OTAYSPBDECCTLN-UHFFFAOYSA-N 328.397 2.324 0 1 EEAF COc1ccc([C@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 36372507 BNQGTPNXLCGLFJ-SGTLLEGYSA-N 330.384 2.353 0 3 EEAF O[C@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 40492301 STBHTUOPFMOXDX-SMOSDQRPSA-N 341.407 2.387 0 1 EEAF CCCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)CC1CC1 95894065 QKTNHYVGKCVTJX-UWVAXJGDSA-N 342.439 2.289 0 1 EEAF O=C(CNc1ccc2[nH]ncc2c1)Nc1ccc(-c2cnccn2)cn1 473111567 ACYAEBIDZROAIG-UHFFFAOYSA-N 345.366 2.466 0 1 EEAF O=C(O)[C@H]1C[C@@H](C(=O)O)[C@H]2ON=C(c3ccc4ccccc4c3)[C@@H]12 653794068 FMEHIDJWMRJUNH-DSJMHWKBSA-N 325.320 2.364 0 1 EEAF Cc1cncc2nc(-c3nccnc3I)[nH]c12 587186029 FGABCDNTKKCCFA-UHFFFAOYSA-N 337.124 2.328 0 1 EEAF COC(=O)[C@H]1CCc2occc2[C@@]12NCCc1c(C(=O)O)cccc12 963154331 WXEGCWAAHOGUOL-DNVCBOLYSA-N 341.363 2.103 0 1 EEAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(C(N)=O)cs1 963642301 YEWCQUIBRWPLKH-JDNHERCYSA-N 332.425 2.488 0 1 EEAF c1ccc(-c2ccnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)n2)cc1 1772581273 WFICFPATVCYBBX-IBGZPJMESA-N 335.411 2.406 0 1 EEAF CCNC(=O)c1ccc(OCc2conc2[C@H]2CC[C@@H](F)CN2)nc1 169685454 BNWULAPQCJYZBN-ZIAGYGMSSA-N 348.378 2.161 0 1 EEAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC(=O)[C@@H]1[C@@H]3C[C@@H](C[C@H]12)OC3=O 100778543 FJCWYLRNGKSUCH-JZKDRTBUSA-N 344.363 2.431 0 1 EEAF endogenous,in-man COC(=O)C(C(=O)OC)[C@@H]1O[C@]23COC=C[C@@]2(C)[C@H]3c2ccccc21 102887584 PMTNJZPBVCGODU-LTDCPUDJSA-N 344.363 2.106 0 1 EEAF CCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 58569332 PEPVFNXUEUPZBF-UHFFFAOYSA-N 326.374 2.100 0 1 EEAF C[C@]12COC3=C1[C@](C)(CC[C@@H]2O)[C@@]12CC[C@](O)(CO)[C@@H](C[C@@H]1C3)C2 2356324633 KVGFQYDNKYGNLD-IZWYZCALSA-N 334.456 2.372 0 1 EEAF COc1cccc(Cc2n[nH]c(N3C(=O)c4ccccc4C3=O)n2)c1 64481142 MEGZNTDLUXASIH-UHFFFAOYSA-N 334.335 2.205 0 1 EEAF COCCNC(=O)C[C@]1(C)N=C(c2cccc3ccccc23)N(C)O1 74374365 AFUXXRMQLOYTDM-LJQANCHMSA-N 341.411 2.332 0 3 EEAF C[C@](O)(CS(=O)(=O)c1ccccc1)c1nc(-c2ccccc2)no1 73295583 WGSIPOUGADGHES-KRWDZBQOSA-N 344.392 2.418 0 1 EEAF COC1=C[C@]23CCCN2C[C@H](O)c2cc4c(cc2C3=C1O)OCO4 238751547 PRTXFEFIDMUDQQ-SGTLLEGYSA-N 329.352 2.110 0 1 EEAF Clc1c[nH]nc1-c1nc(N2CCN(c3ccccc3)CC2)no1 473148662 GSXLWBBWFZRBNH-UHFFFAOYSA-N 330.779 2.440 0 1 EEAF CCOC(=O)/C(=C\N(C)C)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429222 PFLFUSUCEYLVDT-JBBLAHPTSA-N 345.395 2.210 0 1 EEAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587095298 ZYJONIGENAZWNY-SCSAIBSYSA-N 341.215 2.453 0 1 EEAF Nc1nc(O)nc(O)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512097 UDYOIBQXIDYKBP-LBPRGKRZSA-N 327.340 2.055 0 1 EEAF CC1(C)NC(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587597161 UBOBCIOWSLYHRU-HNAYVOBHSA-N 339.347 2.391 0 1 EEAF O=C1CC2(C[C@H](C(=O)O)[C@@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 587529188 KXKRXTZMYOZFIY-KBPBESRZSA-N 344.363 2.465 0 1 EEAF c1ccc(CCn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1 201486916 OYEBEUIPWKXLTR-UHFFFAOYSA-N 335.411 2.419 0 3 EEAF C[C@H]1CCCCCCCCCC[C@@H](O)[C@H](O)[C@H](O)/C=C/C(=O)O1 13373695 KECCBFYFEOTIBV-KHDHUXSVSA-N 328.449 2.472 0 1 EEAF CCCC(=O)Nc1cc(N)c2c3c(cc(C(=O)CCO)nc13)C=N2 201161654 PUNYSILPMHLHNI-UHFFFAOYSA-N 326.356 2.185 0 1 EEAF CC(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 2356289005 NWFPSPRTWGPNNA-TVFCKZIOSA-N 335.492 2.136 0 1 EEAF CCCn1cc(C(=O)O)c(=O)c2ccc(N3CC[C@@H](CNC)C3)cc21 103284740 UGNQFLJHTBDQPN-ZDUSSCGKSA-N 343.427 2.155 0 1 EEAF COC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1F 28638031 ZQGJCQOPSYHHRS-CYBMUJFWSA-N 331.340 2.358 0 1 EEAF C[C@@H]1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]2CC[C@H]1[C@H]3O 2356405004 DGJOOPBLQWTUNK-DHAVRZNNSA-N 336.472 2.147 0 1 EEAF COc1ccc2[nH]c3c(c2c1)C[C@H]1[C@H](CO)[C@H]2C[C@H]3N1CC2=CCO 2356784813 QFPGFMYTUFWRIF-KRDRHDLTSA-N 340.423 2.005 0 1 EEAF COc1ccc(NC(=O)C[C@]2(C)N=C(c3ccccc3)N(C)O2)cn1 74373687 JWIRWNBANQXABJ-GOSISDBHSA-N 340.383 2.459 0 3 EEAF O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccccc2F)cc1 72111236 RYEIEZTYIQCLBP-UHFFFAOYSA-N 336.344 2.123 0 1 EEAF O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2S(=O)(=O)N1CCCCc1ccncc1 299810500 AWLGVKCXSOFROF-MWDXBVQZSA-N 346.452 2.157 0 1 EEAF N=c1[nH]c2nc(-c3ncc(Br)cc3F)nc-2c(Cl)[nH]1 587155406 LDMOLAFONCDTOK-UHFFFAOYSA-N 343.547 2.334 0 1 EEAF NS(=O)(=O)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587175247 WNMGCFIXNFAVME-AWEZNQCLSA-N 333.344 2.026 0 1 EEAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cncnc2[nH]1 586973936 SGHODWGVIDSFEH-CQSZACIVSA-N 327.413 2.464 0 1 EEAF C[C@]1(c2nc3c(O)nc(S)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175470 ZBOCCUYTNHWUAU-OAHLLOKOSA-N 346.343 2.115 0 1 EEAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1c1nc3nc(O)nc(O)c3cc12 587556441 AVZKDGVRJKNVBY-XCBNKYQSSA-N 330.344 2.215 0 1 EEAF O=S(=O)(c1ncccc1-c1nc2ncc(F)cc2[nH]1)C(F)(F)F 587127421 UHMIZIDKDLHRIP-UHFFFAOYSA-N 346.265 2.453 0 1 EEAF CS(=O)(=O)c1cccc(-n2ncc3ccc(Cl)cc3c2=O)c1 587654553 LNIOCLDYYBJVSJ-UHFFFAOYSA-N 334.784 2.443 0 1 EEAF O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(c1ccncc1)C2 4238159 WJYGGQFASPHFTF-UHFFFAOYSA-N 343.452 2.373 0 1 EEAF O=C(CN1C(=O)C2(OCCCO2)c2ccccc21)NC1CCCCC1 217578 VTGDZZWVHAESMA-UHFFFAOYSA-N 344.411 2.072 0 1 EEAF CCOC(=O)C1=NN(C(=O)Cc2ccccc2)[C@](O)(C(C)(C)C)C1 298762 UPCSGZCKIINCPL-GOSISDBHSA-N 332.400 2.115 0 3 EEAF COC1=C[C@@]23CCCN2C[C@H](O)c2cc4c(cc2C3=C1O)OCO4 2356761216 PRTXFEFIDMUDQQ-KPZWWZAWSA-N 329.352 2.110 0 1 EEAF O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1Cc1ccccc1 488364 JMRZUMJNCBAQBZ-LJQANCHMSA-N 345.402 2.464 0 1 EEAF biogenic O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1NC(=O)[C@H]1CCCO1 38278734 ODRLHWKSMWLWIE-SJLPKXTDSA-N 349.390 2.097 0 1 EEAF O=C(NCC1CCCCC1)c1nc(-c2ccccn2)nc(O)c1O 1911585645 WWBXBHLCSFWSOC-UHFFFAOYSA-N 328.372 2.260 0 1 EEAF CC[C@]1(O)CN2CC[C@@]34C(=C(C(=O)OC)[C@@H]1C[C@@H]23)Nc1ccccc14 85511397 DGKIJZKKTDPACC-KMTJZVEASA-N 340.423 2.026 0 1 EEAF biogenic,in-vitro CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc3ncccc3c2[nH]1 587204269 OKGUGPIKCSGWEN-CQSZACIVSA-N 339.399 2.190 0 1 EEAF Nc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587574719 GUKFEXAEGJZZJD-WMLDXEAASA-N 335.319 2.467 0 1 EEAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587236328 URJYNAHWZLICPT-NTSWFWBYSA-N 334.248 2.462 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccnn1 587867896 PVVVSJGRNBYFSF-UHFFFAOYSA-N 349.272 2.451 0 1 EEAF NC(=O)c1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963227079 MFIGZBRCPMCVAR-ROUUACIJSA-N 347.374 2.022 0 1 EEAF CCCC[S@@](=O)c1nc(N)c2nc(O)n(Cc3ccccc3)c2n1 13492489 RYANVUBTQQMWTQ-DEOSSOPVSA-N 345.428 2.070 0 1 EEAF CC[C@H](C)[C@@H]1C[C@H]([C@@H](C)CC)C=C1[C@@H](O)C[C@@H](O)[C@@H](O)C(=O)O 14858358 RKOUCPMGBBKLNK-IWABBCNJSA-N 328.449 2.199 0 1 EEAF endogenous,in-man C[C@@H]1O[C@@H](SCCC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H](O)[C@@H]1O 169365827 HWVMUFHBNMDWTI-BYBZPXNWSA-N 342.501 2.154 0 1 EEAF N#CN1C[C@@H](C(=O)Nc2cn(-c3ccccc3)cn2)CC(F)(F)C1 1857547606 PAWCTLQUARPXTG-LBPRGKRZSA-N 331.326 2.249 0 1 EEAF CN1CCN(Cc2ccc(-c3ccc4ccn(C(N)=O)c4n3)cc2)CC1 103236257 JKGMZEORGIKORD-UHFFFAOYSA-N 349.438 2.378 0 1 EEAF CC(=O)OCC(C)=CCc1ccc(O)c2c1[C@H](C[C@@H](O)C(C)=O)OC2 2356322761 ASYOOCLMBQIAEO-MSOLQXFVSA-N 348.395 2.355 0 1 EEAF O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 28864023 HPAKCEYAQQECIE-LOWDOPEQSA-N 343.301 2.200 0 1 EEAF Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(C(N)=O)cn2c1C 28826107 ZKMDGAYPANOFEF-IRXDYDNUSA-N 336.395 2.120 0 1 EEAF Nc1ccc2c(c1)[C@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CC2 28823656 ASGIBDAQLLVVSZ-QGZVFWFLSA-N 327.428 2.117 0 1 EEAF CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCCSC 5415517 MVWREQSAPTZSHN-KBPBESRZSA-N 329.510 2.322 0 1 EEAF biogenic CS(=O)(=O)c1ccccc1C[C@H](c1ccccc1)N1CCNCC1 36093248 QJMPSMDQYHMYSR-GOSISDBHSA-N 344.480 2.279 0 1 EEAF CN(c1ccccc1)S(=O)(=O)c1ccc2cc(C(=O)O)n(O)c2c1 73169903 UECBZSJONLAMBN-UHFFFAOYSA-N 346.364 2.402 0 1 EEAF NS(=O)(=O)c1ccc2nc(-c3ncccc3C(F)(F)F)[nH]c2c1 587109509 WSWYWWCKPGCGQZ-UHFFFAOYSA-N 342.302 2.291 0 1 EEAF CCOC(=O)[C@](C)(OC(C)=O)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398125 CEEGONZSGRILSS-ROUUACIJSA-N 349.383 2.186 0 1 EEAF COc1ccc(S(=O)(=O)Cc2nc3ccc(CO)cc3[nH]2)cc1 586920611 NVZRGEXNPKCABO-UHFFFAOYSA-N 332.381 2.038 0 1 EEAF COC(=O)[C@H]1CC(C)(C)C[C@@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963506863 GEDVEGSOAYKPEX-QHRIQVFBSA-N 347.411 2.104 0 1 EEAF COc1ccc2oc(=O)cc(-c3ccc(S(C)(=O)=O)nc3)c2c1 1772590933 ZSKGEPSXKAUMTE-UHFFFAOYSA-N 331.349 2.267 0 1 EEAF CC(=O)C1=CC[C@H]2C3=CCC4=C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 5159411 IWQKGRNFKYKJHS-KQFCJCSDSA-N 344.451 2.297 0 1 EEAF O=C1CC[C@@](CCC(=O)N2CCSCC2)(Cc2cccs2)N1 12283100 VQQUGWDPJQNXKD-MRXNPFEDSA-N 338.498 2.295 0 1 EEAF CC(=O)OC(C)(C)CNC(=O)/C=C/C=C\c1ccc2c(c1)OCO2 13407764 QGDBWUXDIODTEX-XGXWUAJZSA-N 331.368 2.443 0 1 EEAF O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1cccc(Cl)c1 13517060 MNBATSXGFCDNBK-FETKWTAISA-N 349.770 2.019 0 1 EEAF C[C@@H](O)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 164797126 DROWREYOLCHQPX-SNVBAGLBSA-N 348.366 2.334 0 1 EEAF CN(C(=O)[C@@H](N)CCCN)C(Cc1ccccc1)Cc1ccccc1 1857588517 DWLCXJHTRUDOTE-FQEVSTJZSA-N 339.483 2.365 0 1 EEAF O=C1O[C@H](Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc21 29043673 BSGQUBKLPKMFRV-INIZCTEOSA-N 344.334 2.492 0 1 EEAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(F)c(F)c3)c2n1 28571854 UXZOOVRJDLGNBF-UHFFFAOYSA-N 348.357 2.240 0 1 EEAF COC(=O)c1cccc(NC(=O)[C@](C)(O)C(F)(F)F)c1Cl 26378357 HVZAUSYZLGXKIP-NSHDSACASA-N 325.670 2.378 0 1 EEAF COc1cc2c(cc1OC)CCC(/C=C/C(=O)N1CCOCC1)=C2 64553706 MKJWJOUFEXIMBN-GQCTYLIASA-N 329.396 2.448 0 1 EEAF C[C@H](NC(=O)c1cccnc1)[C@H](c1ccccc1)N1CCN(C)CC1 22036696 GGYDJTNPUODFMX-QFBILLFUSA-N 338.455 2.189 0 3 EEAF CC(=O)NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72103908 SEYYLZJBQFTZRL-SFHVURJKSA-N 346.381 2.445 0 1 EEAF CN1Cc2nnn(Cc3ccccc3)c2-c2ccccc2S1(=O)=O 96019407 SARMBNUZIYVNIZ-UHFFFAOYSA-N 340.408 2.128 0 3 EEAF NS(=O)(=O)c1cnccc1N1CCC(Cc2ccccc2)CC1 96932807 CXCMAMCBVCJXQX-UHFFFAOYSA-N 331.441 2.188 0 1 EEAF NS(=O)(=O)c1ccc(N2CCN=C2c2cccc(Cl)c2)cc1 299834889 ZZKLXJXTFZOFCI-UHFFFAOYSA-N 335.816 2.254 0 1 EEAF O=C(O)c1cccc2c1CC[C@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962896217 LFFQMJOEJOHLOG-QFBILLFUSA-N 341.338 2.313 0 1 EEAF CCOc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 169701189 QFGCMIQPKGQDTR-AWEZNQCLSA-N 327.388 2.265 0 1 EEAF CN(C)C[C@@H]1O[C@@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@H]1O 2356353404 NHZXAWYHZAQHLG-NUJGCVRESA-N 332.400 2.060 0 1 EEAF CC[C@H]1N[C@H]2C[C@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 104205645 LDBVYQSHIPCQPT-OZIBAKJWSA-N 328.412 2.008 0 1 EEAF Cc1cccc(-n2ccnc2CN2CCN(C(C)C)[C@@H](CCO)C2)c1 20599775 FMCLPKVONZMCNC-IBGZPJMESA-N 342.487 2.458 0 3 EEAF COc1ccc2c3c1O[C@H]1C(OC(C)=O)=CC[C@@H]4[C@@H](C2)N(C)CC[C@@]341 2145 RRJQTGHQFYTZOW-NSMLZSOPSA-N 341.407 2.421 0 1 EEAF biogenic N=C(Nc1ccc2c(c1)N(CCNCCO)CC2)c1cccs1 73310667 MLBSLQLSQSSWSF-UHFFFAOYSA-N 330.457 2.130 0 1 EEAF O=C1CCC[C@H]1[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O 40392929 NRHPRGPVMBPMKF-VLIAUNLRSA-N 332.359 2.304 0 1 EEAF biogenic O=C(CNC(=O)c1coc(-c2ccccc2O)n1)Nc1ccccc1 653757102 OLVXQLDMNFRHBM-UHFFFAOYSA-N 337.335 2.416 0 1 EEAF CCOC(=O)[C@]1(CC(N)=O)CCCc2c1nc1cccc3c1c2CC3 587210731 FOCGDORKDYPICF-FQEVSTJZSA-N 338.407 2.346 0 1 EEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cnc(Cl)[nH]c-2n1 587225374 QGCOIEMUROFTIY-VIFPVBQESA-N 331.763 2.042 0 1 EEAF O=C(NCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1cscn1 587028565 SCKQSNPSIJUPRD-UHFFFAOYSA-N 327.291 2.363 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(C(=O)CC(=O)c4ccccc41)[C@@H](C2)C3=O 587447030 KEWRNAFOSNOJRY-VBKZILBWSA-N 334.327 2.494 0 1 EEAF COC(=O)[C@]1(c2ccc(F)c(F)c2)NCCc2nc3ccccn3c21 962985622 QHSBUSZHQSEJLE-GOSISDBHSA-N 343.333 2.175 0 1 EEAF Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1 1379563 XCOFVRJXVFNOJM-JKSUJKDBSA-N 331.416 2.287 0 3 EEAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N[C@H](CO)[C@H](C)CC 4153864 VQKYQBBROCBSSB-ZXYWRSMDSA-N 348.443 2.349 0 1 EEAF CCOC(=O)Oc1ccc(C(=O)OCCCN(C)C)cc1OC 7041370 RUWDMFALETXULG-UHFFFAOYSA-N 325.361 2.339 0 3 EEAF C[C@H]1OC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN(C)C1=O 27984124 HFJULFDBQNGBRF-OAHLLOKOSA-N 341.455 2.422 0 1 EEAF CC(=O)Nc1cccc(-c2cnc(N)c(C(=O)c3cccnc3)n2)c1 61959339 ITGYENNEJRPLGA-UHFFFAOYSA-N 333.351 2.310 0 3 EEAF Cc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@H]2CC(=O)O 2356870687 XTSPJYQSTDOCQB-SYCOBUBCSA-N 339.457 2.342 0 1 EEAF COc1c2c3c(c4c1OCO4)-c1ccc(O)cc1[C@](C)(O)C3=NCC2 15265663 ISYQAGCQYWJTLA-IBGZPJMESA-N 339.347 2.363 0 1 EEAF biogenic COc1c(C)cnc(CN2CCNc3c(Cl)nc(N)nc32)c1C 43066407 XLKRLSGVLGPWBM-UHFFFAOYSA-N 334.811 2.165 0 1 EEAF COC1CN(c2cc(=O)[nH]c(NCc3cccc4ccccc34)n2)C1 95552910 BZCVRHOXFBPQTG-UHFFFAOYSA-N 336.395 2.370 0 1 EEAF Cc1nn(-c2ccccc2)c2cc(N3CCN(C4CNC4)CC3)ccc12 147351731 JQIUXYNHDDFSCZ-UHFFFAOYSA-N 347.466 2.428 0 1 EEAF CCOC(=O)[C@@H]1C(=O)[C@H](C(C)=O)C(=O)C[C@H]1C[C@H](C)SCC 263592280 RTYSMJMWAJSKON-FRJFDASCSA-N 328.430 2.061 0 3 EEAF Cc1nn(Cc2nc3ccc(C(=N)N)cc3[nH]2)c(C)c1Br 586978961 MMLNMSQOGQZYGI-UHFFFAOYSA-N 347.220 2.471 0 1 EEAF COC(=O)c1sccc1O[C@@H](C)c1ccc2c(O)nc(O)nc2n1 587564049 YBNILBPQVJUJQJ-ZETCQYMHSA-N 347.352 2.424 0 1 EEAF COc1ccc(C=O)c(-c2nc3c(C(N)=O)cccc3[nH]2)c1OC 587786127 IHTJXRQELAVLOE-UHFFFAOYSA-N 325.324 2.159 0 1 EEAF COC(=O)[C@@H]1CC(C)(C)C[C@@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963506868 GEDVEGSOAYKPEX-WTOJCKNJSA-N 347.411 2.104 0 1 EEAF CCn1cc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cn1 145230650 OBKUVCDXQVBADF-UHFFFAOYSA-N 327.392 2.446 0 1 EEAF O=C1NC(=O)C(c2n[nH]c3ncccc23)=C1c1c[nH]c2ccccc12 103233913 OBPOFTYYYWRULZ-UHFFFAOYSA-N 329.319 2.006 0 1 EEAF Cc1nn(C)c(NC(=O)CN2CCCC2)c1C(=O)c1ccccc1F 29392907 UIFDWOJOIJMTLQ-UHFFFAOYSA-N 344.390 2.133 0 1 EEAF Cc1ccc(-c2ccc3ncc4c(c3n2)n([C@H](C)CO)c(=O)n4C)cn1 118535932 PYSPVDUPWKQVNG-GFCCVEGCSA-N 349.394 2.207 0 1 EEAF COC(=O)C1=CC(O)=C[C@@H]2Oc3c(Cl)c(C)cc(O)c3C(=O)[C@H]12 2356794084 HSRPMLAZSLQBEY-WDEREUQCSA-N 336.727 2.469 0 1 EEAF CC(C)n1c(=O)c(C(=O)NCC2CCNCC2)cc2ccccc21 43062911 ACIVVYHJZPFQCA-UHFFFAOYSA-N 327.428 2.312 0 1 EEAF CCNc1nc(N2CCC(O)CC2)nc2cc(OC)c(OC)cc12 82131450 PFJOWWJEKKMCRQ-UHFFFAOYSA-N 332.404 2.040 0 1 EEAF O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1N/C=C1\C=Nc2ccccc21)[C@@H]1C[C@@H]31 263591988 AKRGZQAXQXGGAE-PKYLTHPKSA-N 331.375 2.301 0 3 EEAF C[C@]12CC[C@@H]3[C@H](CC[C@]45O[C@@H]4C(O)=C(C(N)=O)C[C@]35C)[C@H]1CC[C@@H]2O 299804930 RSGSNGFUKZTCGU-HVMVDPSMSA-N 347.455 2.429 0 1 EEAF CC[C@H](C(=O)NCc1ccccc1C(F)(F)F)N1C(=O)CCC1=O 299863046 KLTPONQKWWMICG-GFCCVEGCSA-N 342.317 2.249 0 1 EEAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3c(O)nc(N)nc3[nH]2)c1 587047880 BNHNURHAQJBIKT-UHFFFAOYSA-N 346.778 2.556 0 1 EEAF CCOC(=O)CSC[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453985 VREQXHSQCHFVMI-SJKOYZFVSA-N 336.409 2.498 0 1 EEAF Ic1cnc2[nH]c(C3CC4(COC4)C3)nc2c1 586918027 VVLFWDKAPAIAOO-UHFFFAOYSA-N 341.152 2.457 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(c1cnc4nncn4c1C)[C@@H](C2)C3=O 587436106 LVAVHGBUJPWVCE-SGTLLEGYSA-N 336.351 2.104 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN)(CCC(=O)O)N1 587747564 MGBHYPMURPPOBA-XLKFXECMSA-N 345.212 2.141 0 1 EEAF COc1ccc([C@@]2(CO)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440115 AJDNVMITMNDQIW-DNVCBOLYSA-N 326.348 2.339 0 1 EEAF COCc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)no1 963231496 MTJVOYGGWNOIFY-DLBZAZTESA-N 339.351 2.058 0 1 EEAF Cc1nc2cnc(Nc3ccccc3)nc2n(C[C@H]2CCCO2)c1=O 4238754 XNHDQBLZZGOOPG-CQSZACIVSA-N 337.383 2.418 0 1 EEAF Clc1cccc(N=c2nc(N3CCOCC3)c3nc[nH]c3[nH]2)c1 1857644981 LSPGUWJDWURIPZ-UHFFFAOYSA-N 330.779 2.008 0 1 EEAF O[C@@H](CNC[C@@H]1COc2ccccc2O1)COCc1cccs1 2638518 DKUJYDJVRJCUMJ-UONOGXRCSA-N 335.425 2.055 0 3 EEAF C[C@@H]1CN(C(=O)CCC(=O)NCc2ccccn2)c2ccccc2O1 6780607 VDJANAYHKKEWKL-CQSZACIVSA-N 339.395 2.292 0 3 EEAF O=C(Nc1ccc(Cl)c(F)c1)C(=O)Nc1cnn2c1NCCC2 52912401 MUEIVYWXLHTGOC-UHFFFAOYSA-N 337.742 2.068 0 1 EEAF COc1cccc2c1ncc1c(=O)n(C)c(=O)n(C3CCCC3)c12 117804475 AIQDEWPLFZXAOT-UHFFFAOYSA-N 325.368 2.372 0 1 EEAF CCOC(=O)[C@H]1C[C@@H](C=C(F)F)[C@H]([C@H](CC(C)C)NC(C)=O)N1 28520477 FRBVVBBYKFCJBM-RMRHIDDWSA-N 332.391 2.227 0 1 EEAF Cn1nnc2c3c(ccc21)c(=O)c(C(=O)O)cn3Cc1ccccc1 28704656 YWNXMTZFZKOOFJ-UHFFFAOYSA-N 334.335 2.030 0 1 EEAF COc1cc2c(c(OC)c1OC)[C@@H](O)O[C@@H]1CC=C3CCN(C)[C@@H]3[C@H]21 70454207 MNAREALDHXFRFJ-FYHWNKSOSA-N 347.411 2.220 0 1 EEAF biogenic,in-vitro CO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35273283 KEBVBTRIOHKRMU-MFKMUULPSA-N 338.795 2.311 0 1 EEAF COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2nccs2)n1 40412560 YUBORDSDHOFYPC-LLVKDONJSA-N 333.417 2.174 0 1 EEAF O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@H]1C[C@@H](O)C[C@H](c2ccco2)N1C3 238733073 CMYSMCWWICFNSV-ZDGDKENJSA-N 330.428 2.177 0 1 EEAF CNc1ccc2c3c(n(CCCN)c(=O)c2c1)-c1ccccc1[C@H]3O 95553352 CBKVCJWVYQTYLU-LJQANCHMSA-N 335.407 2.454 0 1 EEAF O=C1C[C@H](O)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]12 253683480 GREJPBKWGASYSC-LEUOFYLZSA-N 332.396 2.350 0 1 EEAF O=C(O)c1ccccc1/C=C\c1nc2ccc(-n3cnnn3)cc2[nH]1 586880254 OXDURMOMFXWATN-YVMONPNESA-N 332.323 2.407 0 1 EEAF NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)c1 586929673 GVLIGHOBVWHNST-UHFFFAOYSA-N 348.281 2.363 0 1 EEAF COC(=O)c1cc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2cn1 587925119 AOEVQGAQIZUXGQ-UHFFFAOYSA-N 327.340 2.353 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccccn1)(C(F)F)NCC2 962926752 VCAGLYMSJYIZLX-SFHVURJKSA-N 331.366 2.438 0 1 EEAF CC(C)N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1 1772628736 QQULVMVNYNDHOX-UHFFFAOYSA-N 343.471 2.479 0 1 EEAF CNS(=O)(=O)c1ccc(SC)c(Nc2ncnc3[nH]ccc23)c1 204874825 WWPCAGBNNMVKMH-UHFFFAOYSA-N 349.441 2.332 0 1 EEAF C[C@]12CC[C@@H](O)[C@@]3(C)C(=O)O[C@@H](C=C4[C@H]1CC[C@]1(C)CC(=O)O[C@H]41)[C@H]23 2356381629 UCWXMZOVKYMIMO-CJKZWQELSA-N 346.423 2.367 0 1 EEAF CO/C(O)=C1\C(C)=Nc2sc(C(N)=O)c(N)c2[C@@H]1c1ccncc1 101947849 KEVRDIXHKNRLJS-VCBXAZPMSA-N 344.396 2.478 0 1 EEAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCCCC4)ccnc32)C[C@@H]1O 26508680 YKCUGFGVEQMOFA-HRCADAONSA-N 346.431 2.207 0 1 EEAF CCOC(=O)c1sc(SC)nc1OC[C@@H](O)CNC(C)(C)C 27751322 HCVMDVSMCPMXJS-VIFPVBQESA-N 348.490 2.170 0 1 EEAF Cc1c(CO)cc(CO)c2c1Oc1c(C=O)cc(O)c(C)c1C(=O)O2 14613513 XUUZKYOOCRGIDM-UHFFFAOYSA-N 344.319 2.131 0 1 EEAF biogenic Cc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 49072889 OXPLZKSKLWBEIM-UHFFFAOYSA-N 334.383 2.127 0 1 EEAF CN1C(C(=O)Nc2ccccc2)=C(O)c2sccc2S1(=O)=O 40514819 JYSXBKQQEZDNIV-UHFFFAOYSA-N 336.394 2.248 0 1 EEAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC=C1C[C@](CO)([C@H](O)CO)CC[C@@H]12 85774175 AQFDLPKDGJJOGK-STBDEUKGSA-N 338.488 2.252 0 1 EEAF CN1CCC[C@@H]1COC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82086383 PUPJUDSTASAJON-GFCCVEGCSA-N 330.340 2.321 0 1 EEAF COc1cc(N)c(C2=NN(C(=O)Cc3ccccc3)CC2)cc1OC 96907956 QWWWFWKIOSOXDP-UHFFFAOYSA-N 339.395 2.465 0 1 EEAF NCCOc1c(-c2ccc3c(c2)OCO3)[nH]c(=O)c2cc(F)ccc12 149344012 XVJKJDSTWKHYJD-UHFFFAOYSA-N 342.326 2.400 0 1 EEAF CCCC(=O)N1CCC(n2cc(-c3cc(C(=O)O)ccn3)nn2)CC1 473134437 CHWAPSKXJBOBBW-UHFFFAOYSA-N 343.387 2.002 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(F)cccc41)[C@@H](C2)C3=O 587429329 UHQQIHSLLDQYJK-BBATYDOGSA-N 325.295 2.429 0 1 EEAF COC(=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2n1 587158927 ZDSRMLMKAOJFKY-BMLIUANNSA-N 326.331 2.225 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(OC)nc2[nH]1 587231093 LQNABEZJKAOWBP-NWDGAFQWSA-N 332.404 2.003 0 1 EEAF CC(C)[C@H](N)[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962959047 DJSKVVQXIAHKQN-VZJVUDMVSA-N 332.778 2.416 0 1 EEAF COC(=O)C[C@@]1(CC(C)C)NCCc2ccc(C(=O)N(C)C)cc21 962927956 GAEREPSMGRMFBK-LJQANCHMSA-N 332.444 2.339 0 1 EEAF O=C(O)C1=CNN2C1=N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 13130363 NTHNIUYWFWSGDD-QWRGUYRKSA-N 329.253 2.389 0 3 EEAF Cc1ccc(-c2nn(Cc3cn(Cc4ccccc4)nn3)c(=O)o2)cc1 1857588192 BGZZXGFCGQKSPM-UHFFFAOYSA-N 347.378 2.500 0 1 EEAF CCOC(=O)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O 1857760523 MLQMUAZSWNRVBH-UHFFFAOYSA-N 327.336 2.431 0 1 EEAF CC(C)n1c(=O)n(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2ccccc21 101798325 WRUHWXYQMLEWKR-WDNDVIMCSA-N 328.416 2.225 0 1 EEAF C[C@@H]1N(C)C(=O)COC12CCN(CCc1c[nH]c3ccccc13)CC2 27983002 CXFXJZUPHCJQHE-HNNXBMFYSA-N 341.455 2.422 0 1 EEAF C[C@@H](CCc1ccccc1F)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27737383 ZTRARVFFWOIXTC-SGTLLEGYSA-N 346.402 2.275 0 1 EEAF Cc1cc(NC(=O)c2ccc3cc4n(c3n2)[C@H](C)CCNC4=O)no1 117699146 NVVCEADQXFTDLA-SECBINFHSA-N 339.355 2.280 0 1 EEAF Cc1cccnc1CN1C[C@H](F)[C@H](OCc2nc3cccnc3[nH]2)C1 2356678313 AGYSIGVVNHEYOY-XJKSGUPXSA-N 341.390 2.400 0 1 EEAF CC[C@@]12CCc3[nH]c4cc(O)ccc4c3CC(=O)N(C[C@@H]3O[C@@H]31)C2 14714799 BONHHVYJMKHBMB-WDSOQIARSA-N 326.396 2.368 0 1 EEAF biogenic COc1ccc(C[C@H]2COc3c(OC)c(O)cc(O)c3C2=O)cc1O 13481967 WELVLEKQWRTDSH-JTQLQIEISA-N 346.335 2.255 0 1 EEAF biogenic CC1(C)C=Cc2c(ccc3c2O[C@@H]2[C@@H]3COC3=CC(=O)C=C[C@@]32O)O1 14502680 XBSGPVUHRGTYRA-LXGCGDOSSA-N 338.359 2.500 0 1 EEAF biogenic CC[C@@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCCSC 25430256 MVWREQSAPTZSHN-KGLIPLIRSA-N 329.510 2.322 0 1 EEAF biogenic COc1ccc(O[C@H]2CC[C@H]3CN[C@H](C(=O)O)C[C@H]3C2)c(C(=O)O)c1 96938812 HNUVZOCPTPXWGS-WJNVRWDZSA-N 349.383 2.004 0 1 EEAF O=C1N=NC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)=N1 618013498 ULOVVPKIXCCXHB-NSHDSACASA-N 328.328 2.496 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnnn2C)N1 587758342 INMMNFIAYWCXEH-CPFSXVBKSA-N 325.185 2.340 0 1 EEAF Nc1cnc(-c2nc3c(Cl)ncc(Br)c3[nH]2)nc1 587252797 NESDXRPVEPEUKF-UHFFFAOYSA-N 325.557 2.413 0 1 EEAF COc1cc2c(cc1OC)[C@@](C)(c1nn(C)cc1O)N(C)[C@H](C)C2 962573330 RCXXNZDYUKPLAC-ZMZPIMSZSA-N 331.416 2.283 0 1 EEAF CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccccn2)c1 1772607329 BUNQNIUYOZUTIE-UHFFFAOYSA-N 346.387 2.041 0 1 EEAF C[C@H]1CCC[C@@H](O)[C@@H](O)CC/C=C\c2cc(O)cc(O)c2C(=O)O1 169587969 BDYVVSINDMFZGR-XXIKWXLHSA-N 336.384 2.342 0 1 EEAF O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4388777 VMEDHRYDUGZJAU-ZKYQVNSYSA-N 331.807 2.298 0 1 EEAF O=CN(O)CC[C@@H](c1ccc(Cl)c(Cl)c1)P(=O)(O)O 28572271 AJGPMMOCRYQLNY-JTQLQIEISA-N 328.088 2.450 0 1 EEAF in-vitro CN(C)c1c(F)cc2c(=O)c(C(=O)O)c3scc4n3c2c1OC4 101379677 IIECCSCETPMRDY-UHFFFAOYSA-N 334.328 2.310 0 1 EEAF CCCOc1cnc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2C 27712163 FWIVADJGNZIHLQ-UHFFFAOYSA-N 339.395 2.241 0 1 EEAF C[C@@H]1Oc2ccc(Br)cc2C=C1/C=C1\NC(=O)NC1=O 95598434 FUGAJYXFIGQVRL-KSRYWAHESA-N 335.157 2.337 0 1 EEAF Clc1c[nH]nc1-c1nc(-c2ccc(N3CCNCC3)cc2)no1 473144266 AMBNMVCXRULUDO-UHFFFAOYSA-N 330.779 2.190 0 1 EEAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 586908166 QMVYGYPKSYRKOV-SECBINFHSA-N 346.364 2.390 0 1 EEAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2ncnc(N)c2[nH]1 587148685 KACLLPJGKQBBFC-UHFFFAOYSA-N 327.298 2.281 0 1 EEAF C[C@@H]1CN(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)C[C@@H](C)O1 587655124 SDZTYHGMXUWHGS-VXGBXAGGSA-N 349.818 2.189 0 1 EEAF C[C@@H]1CN(CC(=O)NCCc2ccncc2)Cc2ccccc2O1 11791192 DRYVEISYFFMIFT-OAHLLOKOSA-N 325.412 2.023 0 1 EEAF N[C@H](C[C@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)O)C(=O)O 13491595 OZAHJHAVANVFRK-CABCVRRESA-N 331.324 2.113 0 1 EEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](C)N[C@H](C)C3)cc21 13649575 TWDFGXPYRHMQQB-PHIMTYICSA-N 347.390 2.045 0 1 EEAF O=C(c1csnn1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1 3956135 RPDBJVQSQMVWHL-INIZCTEOSA-N 329.429 2.066 0 1 EEAF O=C(NCc1ccc(F)cc1)[C@@H]1CC[C@H](c2ccccn2)NC1=O 209075056 PACMYYQTBCRONV-GOEBONIOSA-N 327.359 2.104 0 1 EEAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccncn1)c2=O 1857541168 OEVBYHNIUPOXDX-UHFFFAOYSA-N 345.790 2.396 0 1 EEAF Cc1ccc(N([C@@H](C)C(=O)O)S(=O)(=O)c2c(C)n[nH]c2C)cc1 2928384 BBGXIIXLBAVXLO-LBPRGKRZSA-N 337.401 2.003 0 3 EEAF CN(Cc1ccco1)C(=O)Cn1ncc2c3ccccc3nc-2c1O 101792320 DCZFORUNPOKSNA-UHFFFAOYSA-N 336.351 2.493 0 1 EEAF O=C(NCc1ccc(F)cc1F)c1cc2ccccc2n(O)c1=O 103253095 ZEORCTCTIOZMMF-UHFFFAOYSA-N 330.290 2.447 0 1 EEAF O=S(=O)(Nc1nnc(CO)s1)c1ccc(-c2ccccc2)cc1 66065948 QDHJOKPUXZVKLP-UHFFFAOYSA-N 347.421 2.498 0 1 EEAF C[C@@]1(CO)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@H]1O)[C@@](O)(CO)C4 238781623 NOYMQHDGCKKLAF-QJAFIPRCSA-N 338.488 2.086 0 1 EEAF biogenic COC(=O)c1cc(Cl)c2[nH]c(C3=C(N)C(C)(C)OC3=O)nc2c1 587255150 FXPCBEIOHMMNJT-UHFFFAOYSA-N 335.747 2.008 0 1 EEAF CCOC(=O)[C@H]1COC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587536006 QGDZDKQMEGAWFJ-BEFAXECRSA-N 330.380 2.479 0 1 EEAF CN(C)c1ccc([C@@H](Cc2ccccc2)[C@@H]2NC(=S)NC2=O)cc1 5549655 QYIJHYMUTGAMGF-SJORKVTESA-N 339.464 2.452 0 1 EEAF CCCN(C[C@@H]1CCCO1)C(=O)CCc1nnc(-c2cc(C)on2)o1 12093215 MTEQEABYZIHNGJ-ZDUSSCGKSA-N 348.403 2.383 0 3 EEAF CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 169295038 LLBUIDYEVHXNFM-YMILTQATSA-N 343.379 2.388 0 1 EEAF C[C@@H]1C/C=C\[C@@H](O)[C@@H](O)CC/C=C\c2cc(O)cc(O)c2C(=O)O1 169727618 NHAQNKDEUQPSIX-UJNSPTDBSA-N 334.368 2.118 0 1 EEAF C/C=C1\CN2[C@@H]3C[C@]45C(=O)[C@@H]3[C@@H]1C[C@@H]2[C@@H]4N(C)c1c(OC)cccc15 103567193 WCCNKCFWOIBUOQ-QMHHXYFFSA-N 336.435 2.373 0 1 EEAF biogenic,in-vitro COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1[C@@H]2CC3C[C@H]1CN(C3)C2 101022751 NXFATKJPSQMNCO-NPORBRKHSA-N 349.862 2.248 0 1 EEAF C[C@H]1CC[C@@H](C(=O)Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21 29316486 RPUQTYUJSOISJL-CMPLNLGQSA-N 327.340 2.019 0 1 EEAF CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 82195980 RVRDWBOXNVOFNI-UHFFFAOYSA-N 336.395 2.223 0 1 EEAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(O)ncnc4[nH]3)cc2N1 587125771 UPNUEZGDPNJIKT-IYSWYEEDSA-N 339.281 2.230 0 1 EEAF CCOC(=O)[C@@H]1CN(CC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587396432 SENAKXCJCHMSPU-LIRRHRJNSA-N 346.427 2.186 0 1 EEAF CCOC(=O)[C@H](C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1)C(C)=O 587400860 SBIDRBIMRYXSOH-ACJLOTCBSA-N 333.384 2.460 0 1 EEAF COc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1C 586930316 BOVUUKMRBIINHB-UHFFFAOYSA-N 335.385 2.390 0 1 EEAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586962056 NYQARXKDNCUMBT-SREIQFSDSA-N 345.388 2.218 0 1 EEAF CCOC(=O)C(=O)c1c(C(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587648993 FYYRGAFLCXMFBC-UHFFFAOYSA-N 345.323 2.255 0 1 EEAF O=C(O)/C=C/C=C/c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587969114 QIGIYGRLJHPGGF-KBXRYBNXSA-N 337.339 2.276 0 1 EEAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ncc[nH]c-3n2)C(F)(F)C1 587131701 BMHDOKFDMODXJE-QMMMGPOBSA-N 325.319 2.274 0 1 EEAF CS(=O)(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccn2)cc1 1772623097 ZGBRCZMNBKLUTF-INIZCTEOSA-N 348.449 2.259 0 1 EEAF O=C(NCc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2)C1=O 1772644285 HVVOGAROODVDTJ-QGZVFWFLSA-N 336.391 2.382 0 1 EEAF COc1cc2cc(CO)c(CO)c(-c3cc[nH]c(=O)c3)c2cc1OC 12360776 BCWIUNSXZBTSFL-UHFFFAOYSA-N 341.363 2.197 0 1 EEAF O=C1C[C@@H]2OC=C[C@@H]3CN4CC[C@]56c7ccccc7N1[C@H]5[C@@H]2[C@H]3C[C@@H]46 2356384101 AVYUKZRROFQFPA-BDXKHUFFSA-N 334.419 2.296 0 1 EEAF NS(=O)(=O)c1cc2cc(CNCC(F)(F)F)sc2s1 29474790 RSIXYUUUSXMFFX-UHFFFAOYSA-N 330.378 2.262 0 1 EEAF CCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O 61925748 ZVJPUCQSDYAFTL-LJQANCHMSA-N 343.427 2.325 0 3 EEAF CCCC[C@]1(O)C2=C3[C@H](CC[C@H]3N(C(C)=O)C(NC(C)=O)=N2)C[C@@H]1C 2356556572 GNCKPMVCKHRKOC-GCYOBHRFSA-N 347.459 2.334 0 1 EEAF O=S(=O)(O)c1ccccc1C=Cc1ccccc1S(=O)(=O)O 2356844219 NSMMFSKPGXCMOE-UHFFFAOYSA-N 340.378 2.350 0 1 EEAF COc1ccc(C2=NNC(=O)C[C@H]2C)c2cc(C(F)(F)F)nn12 35824462 IDPCPRHAKGSESY-SSDOTTSWSA-N 326.278 2.222 0 1 EEAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@@H]1CCCNC1 42878066 UXZRCIBKIDILEF-GFCCVEGCSA-N 344.440 2.388 0 1 EEAF COc1cccc(S(=O)(=O)n2c(=O)[nH]c3ccc(Cl)cc32)c1 45368659 DOISXLKSSWUGNW-UHFFFAOYSA-N 338.772 2.229 0 1 EEAF Cc1c(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cnn1C 145190671 YWEWXZOIGPIVLC-UHFFFAOYSA-N 327.392 2.272 0 1 EEAF O=C1CC[C@]2(O)[C@@H]3Cc4ccc(O)cc4[C@]2(CCN3CC2CC2)C1 473113577 JKSUUZMNWGEVRC-UFYCRDLUSA-N 327.424 2.155 0 1 EEAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ncc[nH]c-3n2)c1 586931060 TZHAMFNBYYMDDV-UHFFFAOYSA-N 331.401 2.002 0 1 EEAF Oc1nc(S)nc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 587040356 HHLVFDAJLQUQIJ-VHSXEESVSA-N 345.453 2.294 0 1 EEAF O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(Cl)cc1 169354794 XMUPOSDDOMAHDX-FETKWTAISA-N 349.770 2.019 0 1 EEAF O[C@H]1C[C@@]2(Cn3cnc4c(Cl)ncnc43)O[C@@H]1c1ccccc12 200480665 GLLDIEYNZIZHCK-GHJWDPDVSA-N 328.759 2.211 0 1 EEAF Cc1ccc2nc(CO[C@@H]3CN(Cc4nccn4C)C[C@H]3F)[nH]c2c1 2356495012 AYQDABMMKJWDQL-CZUORRHYSA-N 343.406 2.344 0 1 EEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1C[C@H](O)C1=C[C@H]3C[C@@]12CC[C@]3(O)CO 2356639483 RUGLMNSDLLANNJ-MYWIEBHBSA-N 336.472 2.006 0 1 EEAF NC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCCO4)s2)CC1 66148608 DSVAEAUNOGNSKT-UHFFFAOYSA-N 345.424 2.283 0 1 EEAF CN1CCN(C(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 36289030 UXJLPZWXTAWFIT-UHFFFAOYSA-N 337.383 2.153 0 1 EEAF Oc1ccc(CC[C@H]2C[C@H](O)[C@H](O)[C@@H](c3ccc(O)cc3)O2)cc1 39092299 RBJGEWFAPDFFEA-CADBVGFASA-N 330.380 2.282 0 1 EEAF CC(C)NC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCCCC2)C1 20463103 RVGUALVABPEWNO-HOTGVXAUSA-N 339.480 2.393 0 1 EEAF biogenic CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1cccc2oc(=O)[nH]c12 95604929 NIBOYHCCLFSDFO-JTQLQIEISA-N 348.355 2.426 0 1 EEAF NCc1nc2ccc(O)c3c2c(c1CC(=O)O)-c1ccccc1C3=O 586987690 QNHMWAPUTDBVBM-UHFFFAOYSA-N 334.331 2.238 0 1 EEAF CNCc1cc(NC(=O)Nc2cccc3c2[C@@H]2CCCN2C3=O)n[nH]1 12354936 CSEMLDOWPBRBHH-ZDUSSCGKSA-N 340.387 2.064 0 1 EEAF Cc1cccc2c1[C@]13O[C@H](C)[C@]4(C)C[C@H]5OC(=O)[C@@]1(C)[C@@H]5[C@]34C(=O)O2 14950697 LQWKCEWXDVNHSN-FFWWKTAUSA-N 340.375 2.486 0 1 EEAF CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(C)[C@@H](C2)[C@]1(C)OC(C)=O 169342292 KVDNWNCJSZRQNZ-OTWHNJEPSA-N 331.412 2.452 0 1 EEAF CN(C)S(=O)(=O)c1ccc(-c2ccn(C/C(F)=C/CN)c2)cc1 1857586362 OABHTVMEUYDYPW-CHHVJCJISA-N 337.420 2.218 0 1 EEAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)NC(C)C)sc2n1 753839 RFKKYYHKVQMAKD-UHFFFAOYSA-N 334.445 2.283 0 1 EEAF F[C@H]1CN(Cc2nccs2)C[C@H]1OCc1nc2cccnc2[nH]1 2356342136 JWGOKISWVATEGA-CMPLNLGQSA-N 333.392 2.154 0 1 EEAF CCOC(=O)Nc1oc2ccccc2c(=O)c1CN1CCOCC1 3628330 OCHMVEXTYCZBDW-UHFFFAOYSA-N 332.356 2.194 0 3 EEAF Cc1ccc(Cl)cc1-n1c(=O)cc(N2C[C@@H](C)O[C@H](C)C2)[nH]c1=O 4003705 DMFFTJYOPSSREU-VXGBXAGGSA-N 349.818 2.101 0 3 EEAF C[C@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1 115888307 NDBQYPUELRHJBZ-JSGCOSHPSA-N 325.368 2.379 0 1 EEAF COc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1 115626663 PCHLXIUIFIORTB-UHFFFAOYSA-N 325.372 2.219 0 1 EEAF CSCC[C@H]1NC(=O)[C@@H]([C@@H](C)c2cn(C)c3ccccc23)NC1=O 29410799 NSTCHJFUGUQWFF-SGIREYDYSA-N 345.468 2.018 0 1 EEAF COc1ccc(-n2cnc3c(sc4nc(C)nc(N)c43)c2=O)cc1 49069980 NAXQMHFPIJJLAL-UHFFFAOYSA-N 339.380 2.290 0 1 EEAF O=C1[C@H](Cc2ccccc2)CCn2cc(nn2)COC[C@@H]2CCCN12 95898352 WZJQEFWGBHOUNW-WMZOPIPTSA-N 340.427 2.048 0 1 EEAF O=C1NN(c2ncnc3sc4c(c23)CCC4)C(=O)[C@@H]2CCCC[C@H]12 618012512 NMMBQLVIFKDWPW-VHSXEESVSA-N 342.424 2.364 0 1 EEAF COC(=O)c1sc2ncnc(Nc3ccc(=O)n(C)c3)c2c1C 299862163 MODNPTORBFXJNS-UHFFFAOYSA-N 330.369 2.229 0 1 EEAF O=C1C[C@@H](c2nc3cncnc3[nH]2)CN1Cc1ccc(F)cc1F 587151415 ZIJZWSKAUZTBBL-SNVBAGLBSA-N 329.310 2.147 0 1 EEAF Cc1cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br 587970465 HXSBFEDGRHMRPF-OWUUHHOZSA-N 339.145 2.133 0 1 EEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc3c(cc2[nH]1)OCCCO3 587256899 UGWVEIRLKHNNLE-LLVKDONJSA-N 347.415 2.326 0 1 EEAF COc1cc2c3c(c1)O[C@@](Cc1ccc(O)cc1)(C(=O)O)[C@@H](C2)C3=O 587448490 CRRPLAWWSWUCBF-IFXJQAMLSA-N 340.331 2.214 0 1 EEAF CCOc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cn1 962911033 OAAVCPDSCSMRFV-KSSFIOAISA-N 330.359 2.482 0 1 EEAF Cc1cc2c(cc1O)[C@H](c1cccc3cnn(C)c13)N[C@H](C(=O)O)C2 963513123 YSYOIPWIWFXTOP-RDJZCZTQSA-N 337.379 2.276 0 1 EEAF C[C@@]1(O)OC(=O)C(c2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1 13488595 UESINUJQTYESFV-GOSISDBHSA-N 344.388 2.266 0 1 EEAF O=c1c(Br)cc(Br)c2n1C[C@@H]1CNC[C@H]2C1 13519524 UIRFWXCFBPYLDL-NKWVEPMBSA-N 348.038 2.080 0 1 EEAF O=C(NC[C@H]1CCCO1)[C@@H]1CCC(=O)N1Cc1ccccc1Cl 220928 LYXFRQBJISNWGP-HIFRSBDPSA-N 336.819 2.126 0 3 EEAF Cc1ccc(CCNC(=O)[C@H]2CCC(=O)N2Cc2cccnc2)cc1 224977 JCXBNESDHCJXHN-GOSISDBHSA-N 337.423 2.240 0 3 EEAF CC(=CC(=O)O)C=C(C)C[C@H](C)C=CCC[C@H](O)[C@H](CO)C(=O)O 2356423657 AENCTEDXCKWQHS-KCXAZCMYSA-N 340.416 2.380 0 1 EEAF COC(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCC1CCCC1 3789550 VQMRADFEBRISCI-AWEZNQCLSA-N 325.405 2.054 0 1 EEAF COc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 3904554 HOEKWCYJOODSAF-OGRXGRENSA-N 342.395 2.055 0 1 EEAF CCCN1CCN(C(=O)Cn2cccc2C(=O)c2ccccc2)CC1 20414866 YWDQQSPOFUXQJX-UHFFFAOYSA-N 339.439 2.273 0 3 EEAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3c(c2)CCO3)C1 61902719 FOBATFCMCCQUAC-IBGZPJMESA-N 330.428 2.390 0 3 EEAF COc1cc([C@@H]2COc3cc(O)c(C)c(O)c3C2=O)c(O)cc1O 14647627 JEHZELNRHHBZFM-VIFPVBQESA-N 332.308 2.185 0 1 EEAF biogenic Cc1nc(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)co1 82091319 DVMGSIZICGOMLR-UHFFFAOYSA-N 343.431 2.002 0 1 EEAF COc1c(O)c(C)c2c(c1O)C(=O)[C@@H](Cc1ccc(O)cc1O)CO2 85644241 QYRISNYDFLMVMF-JTQLQIEISA-N 346.335 2.260 0 1 EEAF biogenic,in-vitro CCC[C@H]1CC2=C(OC=CN2)[C@]2(NC(=O)CC(=O)O)C=CCC[C@H]12 87723413 QUMPRQDHFWLVOC-JCGVRSQUSA-N 332.400 2.405 0 1 EEAF CC(C)CC(=O)O[C@H](c1ccccc1)c1cc(O)c(C(=O)O)c(=O)[nH]1 33997749 RQSUJBPFSUWQSA-MRXNPFEDSA-N 345.351 2.457 0 1 EEAF biogenic,in-vitro COc1ccc([C@@]2(O)Sc3ccccc3-n3c2noc3=O)cc1 653903307 DNKUXXCPMDQMON-MRXNPFEDSA-N 328.349 2.133 0 1 EEAF OC1(c2nc3cccc(I)c3[nH]2)CCOCC1 586913189 JJKVIEIRBKBNSL-UHFFFAOYSA-N 344.152 2.166 0 1 EEAF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccccc3[nH]2)cc1 586931868 NOMWCXXGZNRUNW-UHFFFAOYSA-N 331.397 2.392 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CNCn3ccc(N)c31)CC2=O 587483577 CXHHRGLICVXPKR-SFHVURJKSA-N 327.384 2.150 0 1 EEAF CCOC(=O)C[C@@]1([C@H]2CCOC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454683 VXYZEJARSPBCJE-CFZJUORYSA-N 346.379 2.171 0 1 EEAF CCOC(=O)[C@H](C)C[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C(=O)O 5650655 NVXFXLSOGLFXKQ-LALPHHSUSA-N 333.384 2.254 0 1 EEAF COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1C[C@H](OC)O[C@H]1O2 14414919 QKCJGDIUSFKBPI-XPSGODEUSA-N 344.319 2.125 0 1 EEAF endogenous,in-man CC(C)=CCC1=C[C@@](O)(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)CC[C@H]1O 14930170 WTJGJRJHDRYDGX-RUBXOHKTSA-N 349.471 2.323 0 1 EEAF biogenic,in-vitro COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(N)c12 209363299 WVGFPFWKWJNUNW-SECBINFHSA-N 326.360 2.431 0 1 EEAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(C(C)(C)C)n1 2356291265 PDCBYDDYZVINDH-NXOAAHMSSA-N 349.519 2.310 0 1 EEAF CN(C)C(=O)c1ccccc1NC(=O)NC1C[C@H]2CC[C@H](C1)N2C 101227199 HCYYQRZLXJGERU-ZIAGYGMSSA-N 330.432 2.135 0 1 EEAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cc(=O)n(C)c3ccccc13)C2 100643305 ZGUGXTYWGBQHSU-CHWSQXEVSA-N 326.396 2.321 0 1 EEAF Clc1ccc2c(-n3cc(CN4CCOCC4)nn3)ccnc2c1 103270086 FBIGYYMYULTKRF-UHFFFAOYSA-N 329.791 2.301 0 1 EEAF COc1ccc2c3c1O[C@@H]1C(OC)(OC)C[C@]4(C=C2)CN(C)CC[C@@]314 102942342 FRGLCSZKHVYAEC-IPMKNSEASA-N 343.423 2.436 0 1 EEAF CCCOCOCCc1ccc(OC[C@H](O)CNC(C)C)cc1 28762886 IKCHWYBWBNNLGY-QGZVFWFLSA-N 325.449 2.368 0 1 EEAF CS(=O)(=O)Nc1cc(OCCNCc2ccccc2)ccc1F 26743453 HEHPXIHFYMLODY-UHFFFAOYSA-N 338.404 2.366 0 1 EEAF CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N)c2cn1)c1ccccc1 210765915 FQXPLHHKRCVVSC-AWEZNQCLSA-N 340.387 2.174 0 1 EEAF CC(C)(C)OC(=O)NCCc1nc[nH]c1I 32253176 URTHQTZRLDAYBY-UHFFFAOYSA-N 337.161 2.082 0 1 EEAF COC(=O)c1cc(OC)c(O)c2oc3c(c(=O)c12)[C@@H](OC)OC(C)=C3 13385286 MUNKFZROFNVDJU-KRWDZBQOSA-N 348.307 2.330 0 1 EEAF biogenic CNCCOc1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1 73310685 HPLAPVWBJNDYOI-UHFFFAOYSA-N 332.795 2.428 0 1 EEAF CCOC(=O)CSc1nc(N)c2c3c(sc2n1)COCC3 45288701 ROCGPGBQYUZVQG-UHFFFAOYSA-N 325.415 2.001 0 1 EEAF C[C@H]1c2c[nH]nc2-c2cc(F)ccc2N1S(=O)(=O)c1cnn(C)c1 45287658 IEEJRYYRLGNFPR-VIFPVBQESA-N 347.375 2.219 0 1 EEAF COc1cc(-c2cnc3ccc(NC(C)C)nn23)ccc1C(N)=O 263620544 IBZJJCFFBCEGPS-UHFFFAOYSA-N 325.372 2.324 0 1 EEAF in-vitro Cc1cccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 586958278 HFAFMZOJKWSEGM-INIZCTEOSA-N 331.397 2.340 0 1 EEAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(CC(=O)O)c1O 587944255 CVZZGURFOGUZCS-NSHDSACASA-N 342.254 2.149 0 1 EEAF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)o1 586931301 QCZRNPJQZHNHRB-UHFFFAOYSA-N 327.312 2.351 0 1 EEAF CN1C(=O)[C@H](C(=O)Nc2ccccn2)[C@@H]2C[C@@]1(C)Oc1ccccc12 5582947 FBASSRSUKFUAQB-ACWOFJMJSA-N 337.379 2.391 0 1 EEAF CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 13153086 LLBUIDYEVHXNFM-PJGLDBICSA-N 343.379 2.388 0 1 EEAF COc1ccccc1OCCNC[C@H](O)COc1ccccc1OC 169331932 NQDOGABFOYXISO-HNNXBMFYSA-N 347.411 2.112 0 1 EEAF Cc1cc(O)nc(-n2nc(C(=O)N3CCc4ccccc4C3)cc2C)n1 1857601784 XYKYENKGKZNDBP-UHFFFAOYSA-N 349.394 2.183 0 1 EEAF CC(C)N1CCN(Cc2cc3c(cc2Cl)OCO3)C[C@@H]1CCO 22932852 NOWUGUFGOPPHSG-AWEZNQCLSA-N 340.851 2.346 0 3 EEAF NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCCC3 34775187 VCMGPTZCBFGTEF-UHFFFAOYSA-N 337.397 2.424 0 1 EEAF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCN 82070081 ZEZNJAFLFLGOEL-CQSZACIVSA-N 347.440 2.066 0 1 EEAF CCC[C@H](C)Nc1nc(N2CCN(CC(=O)OCC)CC2)ncc1C 82203381 GABZCSVNEHHVDX-HNNXBMFYSA-N 349.479 2.071 0 1 EEAF COc1cncc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(CC2)CO3)c1 149300109 ZOGSWBUPTFGEHZ-LJQANCHMSA-N 337.379 2.470 0 1 EEAF CC[C@@]1(O)CN2CC[C@]34C(=C(OC(C)=O)[C@H]1C[C@H]23)Nc1ccccc14 238780262 ICCHHWSKGFWLQK-HIBPSGHXSA-N 340.423 2.374 0 1 EEAF Cc1cnc(N2CCO[C@H]3C[C@H](COCc4cccnc4)C[C@H]32)nc1 299843280 PSDQJDOTOOQECG-KURKYZTESA-N 340.427 2.381 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N)nc2)N1 587748276 VZYRGYYDEJDVSS-WPPNPWJKSA-N 337.196 2.584 0 1 EEAF CCCC[C@]1(C(=O)OCC)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963529245 WJVRSQSEKPMMHX-KSSFIOAISA-N 335.400 2.248 0 1 EEAF O=C(O)[C@@H](Cc1c(-c2ccccc2)nc2ccccn12)P(=O)(O)O 1772584662 ATCVFRLHYIBHSB-CYBMUJFWSA-N 346.279 2.175 0 1 EEAF CCCCn1c(C)c(CC(=O)N[C@@H]2CCOC2=O)c2c1CCCC2=O 12210443 OBIFBYMQZZHZKO-CQSZACIVSA-N 346.427 2.090 0 1 EEAF N=C(N)c1ccc2cc(C(=O)NCCCCCCC(=O)O)oc2c1 13764994 OQJAKUUGAOUJEO-UHFFFAOYSA-N 331.372 2.482 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccccc1Cl 169300484 ATWGPAAGZWQRJW-HOZLKTFLSA-N 342.782 2.038 0 1 EEAF Cc1c(/C=C/C(=O)N2CCN(C)CC2)c(O)c2ccccc2c1O 169716761 CLQBUNCBQNQFQM-BQYQJAHWSA-N 326.396 2.347 0 1 EEAF COc1c(C)c2c(c(O)c1/C=C/[C@H](C)CP(=O)(O)O)C(=O)OC2 169719419 CWGDQRHKUKCWHD-ZJELKQJVSA-N 342.284 2.207 0 1 EEAF CN1CCN(c2cc(-c3cccnc3)nc(-c3ccncc3)n2)CC1 1498061 CDCZJFYALGCLHT-UHFFFAOYSA-N 332.411 2.352 0 1 EEAF C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@@H]1[C@@H]3C[C@@H](C[C@H]12)OC3=O 100780906 QEANLIISUSNNDX-IXNPXFSVSA-N 344.363 2.383 0 1 EEAF endogenous,in-man C[C@@H]1C=C2OC(=O)C3=C2[C@H](C[C@H](O)C3)[C@@]12C[C@@H](c1ccoc1)OC2=O 15169842 CFHHDFAUABSBHT-FAMJWYPMSA-N 342.347 2.412 0 1 EEAF biogenic CO[C@H]1CC(=O)N[C@@H]2CC[C@@H]3[C@@H]4CC[C@H](C(N)=O)[C@]4(C)CC[C@H]3[C@@]12C 40685469 AXHBIEPEDODFJJ-WEVIMRABSA-N 348.487 2.234 0 1 EEAF C/C=C1/CN2[C@H]3C[C@]45C(=O)[C@H]3[C@H]1C[C@H]2[C@@H]4N(C)c1cc(OC)ccc15 197879839 LEHVAVBEMNLCAM-BHHHOUBPSA-N 336.435 2.373 0 1 EEAF Cn1c(=O)c(-c2ccc(F)cc2)cc2c(N3CCCC3)nc(N)nc21 653725389 PRBYIKXOJPBOBY-UHFFFAOYSA-N 339.374 2.317 0 1 EEAF FC(F)(F)c1ccn(CCc2nc3c(S)nc(S)nc3[nH]2)n1 587117384 BURMRFCPJGWSSK-UHFFFAOYSA-N 346.363 2.388 0 1 EEAF Nc1nc(O)c2nc(-c3cccnc3NCc3ccccc3)[nH]c2n1 587230312 RYMIYWHNJBACAK-UHFFFAOYSA-N 333.355 2.315 0 1 EEAF O=C(O)C[C@H](O)Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586887056 DFLQPJLOZZJFHN-RXMQYKEDSA-N 338.669 2.493 0 1 EEAF CCOC(=O)CCOCCCOCCc1nc2cc(F)cnc2[nH]1 587568849 OBHWFHWHSFNRQW-UHFFFAOYSA-N 339.367 2.016 0 1 EEAF Cc1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2n1 586931865 NETJOSAESPGUPE-UHFFFAOYSA-N 346.412 2.096 0 1 EEAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CN3CCC[C@H]2C3)N1 962955870 AECHNRALZSQWBF-FUEZOXIYSA-N 342.773 2.138 0 1 EEAF CCCCC[C@@H](O)[C@@H](O)C[C@H](O)[C@H](O)CCCCCCCC(=O)O 5103929 VJOGZGLNDROOFS-NCOADZHNSA-N 348.480 2.216 0 1 EEAF CCN1CNS(=O)(=O)c2cc(C(=O)Oc3ccccc3C)ccc21 169328557 WFXOCRXESUQAOO-UHFFFAOYSA-N 346.408 2.290 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@H]([C@H](C)O)C[C@@H](C1)[C@@H]23 2356781310 AYINTZJVMWGZAN-WFSYLWQSSA-N 340.423 2.024 0 1 EEAF COc1ccccc1-c1cc(C)c(NCCN2CCOCC2)nn1 27621244 YGASKTMXOPYREB-UHFFFAOYSA-N 328.416 2.205 0 1 EEAF C[C@@H]1C(=O)[C@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@@]1(C)C[C@@H](O)CC(C)(C)[C@H]1C[C@H]3O 503897977 WIGBRVUOWQUTIV-OYJSSNCWSA-N 336.472 2.147 0 1 EEAF biogenic CNc1nc2[nH]c(-c3cc(CNC(C)=O)ccn3)cc2c2c1ncn2C 73196254 LREWJGGYTDMQIN-UHFFFAOYSA-N 349.398 2.189 0 1 EEAF CN1CCC(OC(=O)[C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1 43016839 MUVWBFKHLBXKBY-AWEZNQCLSA-N 331.334 2.419 0 1 EEAF COc1cc2ncn(Cc3ccc4c(c3)OCO4)c(=O)c2cc1OC 299837964 PTLJRJFEEDPEJP-UHFFFAOYSA-N 340.335 2.191 0 1 EEAF N[C@H]1CC[C@H](CNc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)CC1 473171624 TUBDCTXNBUJRCI-AULYBMBSSA-N 327.436 2.172 0 1 EEAF COc1cc(Cc2ccc3c(O)nc(O)nc3n2)cc(OC)c1OC 587558673 CCKGVOPSGHLPMP-UHFFFAOYSA-N 343.339 2.053 0 1 EEAF O=S1(=O)CCN([C@@H]2CCCc3c2nc2cccc4c2c3CC4)CC1 587216441 BNARKNVUPIDZDU-QGZVFWFLSA-N 342.464 2.441 0 1 EEAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cnncc3[nH]2)C(F)(F)C1 587131829 DEAOGEIDGAMTDV-MRVPVSSYSA-N 325.319 2.323 0 1 EEAF CCOC(=O)c1sc2c(c1C)C(=O)N/C(=C\SCC(=O)O)N2 958054882 YDGNYYSQPAULJG-QPJJXVBHSA-N 342.398 2.005 0 1 EEAF CCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 13553475 JQFBRAVKVRCQHJ-CQSZACIVSA-N 344.348 2.185 0 1 EEAF C[C@@H](O)C[C@H]1O[C@@H]1/C=C\C=C\c1cc2cc(O)cc(O)c2c(=O)o1 14637321 TYXXEQMKBIKKOL-HLZLSLRQSA-N 330.336 2.312 0 1 EEAF O=C(O)c1cc(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2[nH]1 169314527 CYGRBCRGEKSPSF-UHFFFAOYSA-N 329.333 2.059 0 1 EEAF CCn1c(/C=C/c2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C 169699043 DNIBHKRXMZYFQQ-JXMROGBWSA-N 344.802 2.277 0 1 EEAF CN(C)Cc1ccc(CNC(=O)n2sc3ncccc3c2=O)cc1 169711344 OJUJWPJNAURRHV-UHFFFAOYSA-N 342.424 2.278 0 1 EEAF COc1ccc2ccc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1 24884 GHCXQFKCXGJMBM-UHFFFAOYSA-N 327.344 2.401 0 1 EEAF O=C(COCc1cc(-c2ccc(F)cc2)on1)NC[C@@H]1CCCO1 6736777 AMXWIMKBKNKHJK-HNNXBMFYSA-N 334.347 2.293 0 1 EEAF O=C(CCC(=O)n1ncc2ccc(Cl)cc21)NC[C@H]1CCCO1 6768433 HBXUKWOOVVVDRS-CYBMUJFWSA-N 335.791 2.405 0 1 EEAF COc1ccc(CN2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1OC 101089223 URWWHQGURDNZSZ-MGBSGCIJSA-N 327.380 2.401 0 1 EEAF COc1ccc2c(c1)c(C(=O)NC1C[C@@H]3CCC[C@@H](C1)N3C)nn2C 101316621 XQKKWUYBGYIOKW-KBPBESRZSA-N 342.443 2.327 0 1 EEAF COc1cc(OC)c2c(O)c3c(c(OC(C)=O)c2c1)C[C@](C)(O)OC3 28973855 ABZBWWRKJASESX-GOSISDBHSA-N 348.351 2.269 0 1 EEAF CN1CCC(NC(=O)CCCn2c(N)nc3cc(Cl)ccc32)CC1 58590641 WCPKOJUODFAWNB-UHFFFAOYSA-N 349.866 2.263 0 1 EEAF CC(C)NC[C@@H]1O[C@@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@H]1O 2356300355 UNPJORNWBZBAON-LMMKCTJWSA-N 346.427 2.496 0 1 EEAF O=C1Nc2ccc(C=Cc3ccccc3)cc2C(=O)N2C[C@H](O)C[C@@H]12 2356314400 HIAHNCPXMFOGNU-QAPCUYQASA-N 334.375 2.385 0 1 EEAF C=CC(=O)Oc1ccc([C@@H]2[C@H](OC(=O)C=C)C(=O)N2SC)cc1 28816448 XRBQDKJWIBCISV-CABCVRRESA-N 333.365 2.037 0 1 EEAF O=C(c1ccc(Cl)cc1)N1CCNC[C@@H]1COc1cccnc1 114581862 AIANUZPAXXVFHE-OAHLLOKOSA-N 331.803 2.228 0 1 EEAF CC[C@]1(O)CN2CC[C@@]34C(=C(OC(C)=O)[C@H]1C[C@@H]23)Nc1ccccc14 2356551511 ICCHHWSKGFWLQK-NLCWTHGUSA-N 340.423 2.374 0 1 EEAF CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(-n2cncn2)cc1 61906432 JFQYHDBCEGLJAV-SFHVURJKSA-N 341.415 2.387 0 3 EEAF COC(=O)[C@@H](C)CCc1c(OC)c2ccc3c(c2n(C)c1=O)OCO3 14682507 DULJIGHAECEIEP-JTQLQIEISA-N 347.367 2.018 0 1 EEAF biogenic CCCCC[C@H](O)CCCN(CCCCC(=O)O)S(C)(=O)=O 43076439 VRTKPBQFJXUKIN-AWEZNQCLSA-N 337.482 2.224 0 1 EEAF CCCn1ccnc1CNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1 45350929 PAFRDJZWUBUWJO-UHFFFAOYSA-N 340.387 2.164 0 1 EEAF COc1ccc(CN(C=O)c2c(-c3ccco3)nc[nH]c2=O)cc1 49803841 GAOZRTWYCMDPKO-UHFFFAOYSA-N 325.324 2.202 0 1 EEAF COc1cncc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(CC2)CO3)c1 149300276 ZOGSWBUPTFGEHZ-IBGZPJMESA-N 337.379 2.470 0 1 EEAF CC(C)C[C@@H]1C(=O)[C@H](CC[C@@H](O)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 473198580 PZASMECFBWZNPR-CAOSSQGBSA-N 348.395 2.132 0 1 EEAF COc1cc(/C=C/C(=O)OCc2ccc(N)nc2)cc(OC)c1O 653857496 JCYGIQXQGICMPS-GQCTYLIASA-N 330.340 2.143 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)N1CCOCC1 587873161 WKRJUGLKEPFGNQ-CYBMUJFWSA-N 347.390 2.449 0 1 EEAF C=C(NC(C)=O)c1nc2ccc(I)cc2[nH]1 587202947 JBCJPPLMLIBDAN-UHFFFAOYSA-N 327.125 2.274 0 1 EEAF Cc1cc(=O)n2nc(N[C@@H](CC(=O)O)c3cccc(Cl)c3)[nH]c2n1 1772657338 KHVFKVSDSRUZIS-NSHDSACASA-N 347.762 2.007 0 1 EEAF O=c1c2ccccc2nnn1Cc1ccc[n+](Cc2cccc(F)c2)c1 1857544668 PABQBMOCJPFVNX-UHFFFAOYSA-N 347.373 2.315 0 1 EEAF Nc1c(-c2nc(-c3cccs3)no2)nnn1-c1ccccc1CO 1857650175 AQTDTJBZKDWIIF-UHFFFAOYSA-N 340.368 2.120 0 1 EEAF OC[C@H](NCCc1cccc(O)c1)c1ccc(O)c2nc(O)ccc12 1857770564 QBNXRFIXUNPQJO-INIZCTEOSA-N 340.379 2.217 0 1 EEAF Cn1ncc2c1C(C)(C)CCN([C@H]1[C@H]3CC4C[C@@H]1C[C@@](O)(C4)C3)C2=O 101668501 KJNGBIARSCJULD-ISTKDRATSA-N 343.471 2.483 0 1 EEAF FC(F)(F)Oc1cccc(CNC[C@@H]2Cn3ccnc3CO2)c1 2356302530 XURPIBYKRRIRGN-CYBMUJFWSA-N 327.306 2.470 0 1 EEAF CNCCN1C(=O)[C@H](O)[C@@H](c2ccc(O)cc2)Sc2ccccc21 26968609 ZTRZZXJIQHVVGS-IAGOWNOFSA-N 344.436 2.153 0 1 EEAF N=C(N)c1cccc(Oc2cncc(Oc3cccc(C(=N)N)n3)n2)c1 29416496 QXTCYPIVURITLG-UHFFFAOYSA-N 349.354 2.024 0 1 EEAF O=C1NC(=S)N/C1=C\c1ccc(-c2ccc3c(c2)CNC3=O)s1 117899881 FKKHSRCBLXGBQH-SDQBBNPISA-N 341.417 2.004 0 1 EEAF Cc1nc(C)c(C(=O)/N=C(/N)NCc2cccc(Cl)c2)nc1C 59111817 FHMDIAKEWCVXDR-UHFFFAOYSA-N 331.807 2.300 0 1 EEAF CC(C)NC[C@H](O)COc1ccc(C[S@](=O)CC2CC2)cc1 25967305 KALNDAPKXOYQKD-AOMKIAJQSA-N 325.474 2.083 0 1 EEAF C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2C[C@H]1CCCO1 40860871 OWRBBFHZDDJXIW-GNYRAKODSA-N 328.456 2.489 0 1 EEAF CS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N)CC2 143189782 SLLDGNRMACWAFH-RBUKOAKNSA-N 344.480 2.336 0 1 EEAF Cc1cccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)c1 95587159 FOOSNWYJBRIGDC-UHFFFAOYSA-N 336.391 2.446 0 1 EEAF O=C(NCc1cccnc1)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2=O 263590958 LASZOIPRAOUPKZ-QKPAOTATSA-N 329.400 2.097 0 3 EEAF CCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1F 299820404 BGJRXPZTEYLAEK-UHFFFAOYSA-N 341.379 2.187 0 1 EEAF O=C(Cc1nc2nc(Br)c[nH]c-2n1)OCc1ccccc1 587782155 QMDBKNZBSYNSQK-UHFFFAOYSA-N 347.172 2.353 0 1 EEAF OC1(c2nc3c(Cl)c(Br)cnc3[nH]2)CCOCC1 586913885 SCJYMUPXMIWFTE-UHFFFAOYSA-N 332.585 2.372 0 1 EEAF CN(CCO)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 587193059 RDBMUKQFSUVGDX-UHFFFAOYSA-N 348.204 2.163 0 1 EEAF CCOC(=O)[C@@H](Cc1ccccc1)c1ccc2c(O)nc(O)nc2n1 587560252 ZHWDNWAEZLLRKW-ZDUSSCGKSA-N 339.351 2.325 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(CO)cc2[nH]1 587232547 ZAJNRYFFFUTXMF-KGLIPLIRSA-N 331.416 2.092 0 1 EEAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CC(=O)OC)(C(OC)OC)N1 962946811 JMKOEZRDQMXUIZ-BUXKBTBVSA-N 346.427 2.470 0 1 EEAF CC1(C)[C@@H]2OCC[C@H]2[C@]12c1c3c(cc4c1OCCO4)CC(=O)N2CC3 963269959 NAKGXZSZKKHKIF-YHBQJITHSA-N 341.407 2.039 0 1 EEAF CN(Cc1ccccn1)c1nc2nonc2nc1N1CCCCCC1 11822160 ASQVLEWTKLIXMI-UHFFFAOYSA-N 339.403 2.425 0 1 EEAF COc1ccc(Cl)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1 2463067 PADZUSAVGRZISC-KOLCDFICSA-N 332.834 2.029 0 1 EEAF Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C[C@H]1CCNC1 8581942 YJNVZAXZUDOAAI-VIFPVBQESA-N 344.806 2.044 0 1 EEAF CSCCC(NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)=C(O)O 100388546 NVOCTHUGIROXCB-LBPRGKRZSA-N 335.429 2.192 0 1 EEAF endogenous,in-vitro Cc1ccc2nc(CO[C@H]3CN(Cc4nccn4C)C[C@@H]3F)[nH]c2c1 2356495011 AYQDABMMKJWDQL-BBRMVZONSA-N 343.406 2.344 0 1 EEAF CNCC(=O)Nc1ccc([C@H]2NC(=O)C(C)(C)c3ccccc32)cc1 33823796 DFNNFJVYZRZOGF-GOSISDBHSA-N 337.423 2.341 0 1 EEAF Cc1cccc(C)c1CN1C(=O)c2nnc(-c3cnccn3)n2C[C@@H]1C 219128301 WCQADJAHBOESOY-AWEZNQCLSA-N 348.410 2.396 0 1 EEAF Cc1ccc(S(=O)(=O)CCNC(=O)c2ccc(Cl)cc2)nc1 45390488 RMQMGLLPWMBHHG-UHFFFAOYSA-N 338.816 2.247 0 1 EEAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCc1ccccc1F 82203474 YDPCHMNMCPNIDJ-UHFFFAOYSA-N 343.406 2.238 0 1 EEAF CO[C@H]1CC(=O)N[C@@H]2CC[C@@H]3[C@@H]4CC[C@H](C(N)=O)[C@@]4(C)CC[C@@H]3[C@@]12C 40685477 AXHBIEPEDODFJJ-VSJGTCFASA-N 348.487 2.234 0 1 EEAF CCS(=O)(=O)c1ccccc1-c1nc2cc(C(=O)OC)ncc2[nH]1 586921556 CITWVOHXQUPVSM-UHFFFAOYSA-N 345.380 2.205 0 1 EEAF CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(N)cc2)cc1)C(=O)O 13803830 LKVAANCBUJLQIE-INIZCTEOSA-N 348.424 2.323 0 1 EEAF CCCCNC(=O)[C@H]1c2ccccc2OCC(=O)N1CC(F)(F)F 169304057 VIFHNTDPAHXUBS-CQSZACIVSA-N 344.333 2.427 0 3 EEAF NS(=O)(=O)c1cc(C(=O)O)cc2c1Sc1ccccc1CN2 169314968 DFLCIWZUWOGKOL-UHFFFAOYSA-N 336.394 2.109 0 1 EEAF CCN1c2ncccc2C(=O)Nc2c(C)cc(NCCCO)nc21 6385191 SGXFRGLRYZSEDC-UHFFFAOYSA-N 327.388 2.303 0 1 EEAF Cc1cc2[nH]c(=NC(=O)[C@@]3(C)CCN3C(=O)C(C)C)[nH]c2cc1C 61897541 VAGVSVYNGHIFRP-GOSISDBHSA-N 328.416 2.187 0 3 EEAF O=C(c1cnc(NCC2CC2)nc1-c1ccccc1)N1CCOCC1 82132387 BDGWFZNJOCMXKG-UHFFFAOYSA-N 338.411 2.438 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnnn2C)N1 587758344 INMMNFIAYWCXEH-FUXBKTLASA-N 325.185 2.340 0 1 EEAF CCS(=O)(=O)NCCCc1nc2cccc(C(F)(F)F)c2[nH]1 586942804 OTADELRRCGVNEZ-UHFFFAOYSA-N 335.351 2.454 0 1 EEAF Cc1c2c(nn1C)[C@@](C)(c1cc(F)cc(F)c1F)N[C@H](C(=O)O)C2 962714032 PUIFWHYQYSYPHH-BLLLJJGKSA-N 339.317 2.008 0 1 EEAF O=C(NCC1(O)CCCCC1)c1cc(=O)c2cc(F)cc(O)c2o1 1772573379 CEFAXAWFJKQWNI-UHFFFAOYSA-N 335.331 2.063 0 1 EEAF O=C1[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 13154091 YWKKQTJSTXXAPM-OOSNJVJTSA-N 347.370 2.159 0 1 EEAF CC1=C[C@H](O/C=C2\C(=O)O[C@@H]3[C@H]2C=C2CCCC(C)(C)[C@@]23O)OC1=O 13310299 FIKOOQXJBAJJSE-WVDVISGESA-N 346.379 2.139 0 1 EEAF endogenous,in-man COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1C[C@@H](OC)O[C@H]1O2 14414916 QKCJGDIUSFKBPI-XFGRJSRNSA-N 344.319 2.125 0 1 EEAF endogenous,in-man NCc1ccc(-c2ccc(N3C[C@H](C(=O)O)OC3=O)cc2F)cc1 1857761408 RWBZJAQFFCLFRJ-OAHLLOKOSA-N 330.315 2.361 0 1 EEAF COc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(C3CC3)c2n1 4238502 RSZRYHJKQLXECW-UHFFFAOYSA-N 330.294 2.475 0 1 EEAF O=C(N[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@H](O)C1)OCc1ccccc1 27980548 UJZFFYRHOABDGE-ZACQAIPSSA-N 346.427 2.065 0 1 EEAF COC(=O)CC1=CN2C(=O)c3cc(OC)c(OC)cc3N=C[C@@H]2C1 29547404 YTIGAYMKVWQBSQ-NSHDSACASA-N 330.340 2.081 0 1 EEAF CC(=CC(=O)O)C=C(C)CCCCCC[C@@H](O)[C@@H](CO)C(=O)O 2356845366 OEBUJDRTQIBBBJ-HUUCEWRRSA-N 328.405 2.358 0 1 EEAF C[C@@H](C(=O)O)N1CCN(c2ccc(OCc3ccccn3)cc2)C1=O 40875473 DKTVWMGMBQFELT-ZDUSSCGKSA-N 341.367 2.376 0 1 EEAF CC1(NC2=NS(=O)(=O)c3scc(Br)c3N2)CC1 40565702 LVGINCMFJCKGQA-UHFFFAOYSA-N 336.236 2.123 0 1 EEAF O=C(N[C@H]1CC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1)N1CCCC1 473248996 RQEDYNPEJMCLRX-NEPJUHHUSA-N 339.403 2.047 0 1 EEAF COC(=O)CC[C@H](N)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587259060 GUWOCEMQJGQQDO-ZDUSSCGKSA-N 339.399 2.347 0 1 EEAF O=C(C[C@@H]1CCS(=O)(=O)C1)n1nc2cc1Oc1ccc(F)cc1-2 587875745 IAQFKSMALSGFEY-VIFPVBQESA-N 336.344 2.260 0 1 EEAF CC(=O)N1CCC([C@@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1 203782363 TZLKQKCGJBWURI-HKUYNNGSSA-N 325.412 2.462 0 1 EEAF COc1ccc(N[C@@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1 12315526 ZHRBCMZOXWEKOA-MRXNPFEDSA-N 328.416 2.454 0 3 EEAF CCOc1ccc(N2C[C@@H](C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 13517703 ZZKCKXLXNOWHFZ-KKUMJFAQSA-N 346.427 2.074 0 1 EEAF Cc1cc(F)ccc1N1CCC(N2CCN(C)[C@@H](CCO)C2)CC1 19865967 JMAFPAHNCACANZ-SFHVURJKSA-N 335.467 2.101 0 3 EEAF CC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(=O)n2c1CCC2 203460918 LVGIDFDGKQVJKS-UHFFFAOYSA-N 331.393 2.068 0 3 EEAF Cc1ccc(NC(=N)NC2(C(=O)N3CCOCC3)CCCCC2)cc1 1857569664 ZXIKFNGJFRBASI-UHFFFAOYSA-N 344.459 2.493 0 1 EEAF CN1CCC(N2C[C@H](F)[C@@H](OCc3nc4ccccc4o3)C2)CC1 2356299968 RGRTXQOFJDDVBX-YOEHRIQHSA-N 333.407 2.461 0 1 EEAF Cc1cc(NC(=O)c2ccc3cc4n(c3n2)[C@@H](C)CCNC4=O)no1 117699148 NVVCEADQXFTDLA-VIFPVBQESA-N 339.355 2.280 0 1 EEAF COc1cc2c(c(C(=O)NC3C[C@@H]4CC[C@H](C3)N4C)c1)O[C@H](C)C2 26948734 HEGCNUMCFQIISG-JZIBPQBNSA-N 330.428 2.374 0 1 EEAF O=C(Nc1cnc2[nH]ccc2n1)N[C@@H]1CCCN(CC(F)(F)F)C1 118766220 UYLBPGPLLQBJGL-SECBINFHSA-N 342.325 2.106 0 1 EEAF CNC(=O)COc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1 220425313 SJLWFKXIXUHBEX-UHFFFAOYSA-N 346.408 2.459 0 1 EEAF O=C(C[C@@H]1SC(=O)NC1=O)Nc1nc(-c2ccccc2)cs1 96916386 KEQAFIKBSSZANB-JTQLQIEISA-N 333.394 2.490 0 1 EEAF c1ccc(CO[C@H]2CC[C@H]3[C@@H]2OCCN3Cc2nccs2)nc1 299841802 NXTOVHIYMBEMIO-ZOBUZTSGSA-N 331.441 2.487 0 1 EEAF C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)C[C@@H](C)C1=O 299864104 LXVSRZHBTOTBKA-ZJUUUORDSA-N 342.317 2.105 0 1 EEAF COc1cc2ncnc(-n3cnc(-c4ccccn4)n3)c2cc1OC 653689391 FSNRXUIWODERSC-UHFFFAOYSA-N 334.339 2.290 0 1 EEAF NC(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587035340 SJRNNAUWQCTXRC-UHFFFAOYSA-N 340.408 2.142 0 1 EEAF COC(=O)c1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cn1 587042508 KZBHOVZGXMIQAC-GFCCVEGCSA-N 348.428 2.365 0 1 EEAF COC(=O)C(=O)c1c(-c2cc(C)on2)[nH]c2c(C(=O)O)cccc12 587639256 QLNIBCDOIRBZTA-UHFFFAOYSA-N 328.280 2.185 0 1 EEAF CC(C)c1nn(C)c2c1[C@](c1ccccc1)([C@@H]1COC(=O)C1)NCC2 962915629 APPOCTRPGFEEIL-YWZLYKJASA-N 339.439 2.496 0 1 EEAF C[C@H]1CCCC[C@@H]1NC(=O)Cn1ncn2c(cc3sccc32)c1=O 5108373 ACXICIKZWMFVMH-RYUDHWBXSA-N 344.440 2.406 0 1 EEAF Cc1cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2c(N)n1 15935398 GIPWSAVGTCOAIJ-UHFFFAOYSA-N 348.819 2.399 0 3 EEAF O=C1N=C(O)[C@@H]2[C@@H]1N(Cc1ccccc1)C(=O)N2Cc1ccccc1 17196526 ASZIFAJFLZLKOH-HOTGVXAUSA-N 335.363 2.358 0 1 EEAF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2C(=O)CO 6068000 ACHGZZCRIIPHAX-MYTMCOJVSA-N 332.440 2.277 0 1 EEAF COc1cccc(CN2CCN3C(=O)N(c4ccccc4)C[C@@H]3C2)n1 2356405975 JPCONFIXRIJGID-KRWDZBQOSA-N 338.411 2.217 0 1 EEAF Cc1nnsc1C1=NN[C@@H]2SC(/C=C/c3ccccc3)=NN12 103216866 BMCJLTJCMJLTEE-NPQIQWPPSA-N 328.426 2.471 0 1 EEAF CCOc1ccccc1C(=O)NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2C 100788634 DWLIXNBJJWTIDG-KBPBESRZSA-N 331.416 2.150 0 1 EEAF CCN1CC(C)(C)OC(=O)[C@H]1CC(=O)NCc1cccc(Cl)c1 117794286 PXBBGRKMCLGTEG-CQSZACIVSA-N 338.835 2.372 0 1 EEAF CC(C=C[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)[C@@H](O)[C@@]1(C)O)=CCO 2356523450 RMAJUEUHZWCNQM-VFPCOIFRSA-N 338.488 2.416 0 1 EEAF O=C1N=c2ccccc2=C1c1cc(-c2c[nH]c3ccccc23)c(O)[nH]1 2356759607 FFMPTSYSXPDSPI-UHFFFAOYSA-N 327.343 2.227 0 1 EEAF CCCc1cc(O)c2c(c1-c1cc(O)cc(=O)o1)C[C@H](O)CC2=O 14650429 IJTJWRLJKDGQIG-JTQLQIEISA-N 330.336 2.160 0 1 EEAF biogenic O[C@@H]1CCN[C@@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 49802635 HKIWVNOCBNBVAO-GUDVDZBRSA-N 325.408 2.416 0 1 EEAF O=C(CN[C@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccc2)CC1 96172286 ZRNUJVGIECAKNK-UXHICEINSA-N 335.451 2.481 0 1 EEAF CCC(CC)C(=O)N1CC[C@@H]2NC(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 25410402 VZUFVJUROJTSIT-HOTGVXAUSA-N 343.427 2.457 0 1 EEAF biogenic CCC/N=c1\c(NC(=O)CC(=O)OCC)c(O)oc2ccccc12 617996282 ZXNRCUNYEQMPJA-SDXDJHTJSA-N 332.356 2.341 0 1 EEAF CS(=O)(=O)c1c(F)cccc1-c1csc(N2CCOCC2)n1 299834465 YAJOUYKEMCWDJJ-UHFFFAOYSA-N 342.417 2.189 0 1 EEAF CCCCS(=O)(=O)N[C@@H](c1nc2nc(Cl)c[nH]c-2n1)C(C)C 586932383 DIPLUJXRKMNZOI-SNVBAGLBSA-N 345.856 2.375 0 1 EEAF CN(C)CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587369668 NAEIRKYDKBXNCJ-UHFFFAOYSA-N 326.356 2.043 0 1 EEAF CCCCS(=O)(=O)N[C@H](c1nc2nc(Cl)c[nH]c-2n1)C(C)C 586932378 DIPLUJXRKMNZOI-JTQLQIEISA-N 345.856 2.375 0 1 EEAF Nc1ncnc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 587126918 IRXNYSSEWJIYMN-UHFFFAOYSA-N 335.249 2.377 0 1 EEAF CC(C)(CO)[C@@H](O)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586902137 ZJRYQTUTQCYSKC-INIZCTEOSA-N 326.400 2.446 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(CCc3[nH]c4cccnc4c32)N1 962890108 BSGVVJUTYORDMO-IFXJQAMLSA-N 337.354 2.491 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@H](C[C@@](C)(O)C1CCOCC1)NCC2 962926312 AXICIYYGCWOVQR-AZUAARDMSA-N 346.471 2.143 0 1 EEAF CCOC(=O)/C(=C\NCC(OCC)OCC)c1nc2ccccc2[nH]1 5800862 SWJPPVWOTZQBML-QBFSEMIESA-N 347.415 2.456 0 1 EEAF CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ccc(N)cn1 13746123 UYUVDDBKHOYPAN-XMMPIXPASA-N 341.440 2.223 0 1 EEAF O=S1(=O)[C@H]2C[C@@H]3C=C[C@@]2(CN1Cc1cccc(C(F)(F)F)c1)O3 15937312 CNIXXLCVUIBDSB-IHRRRGAJSA-N 345.342 2.317 0 3 EEAF Nc1ncc(/C=C/CNC(=O)c2cc(Cl)c(Br)[nH]2)[nH]1 206063483 YJEMGAOGMMLCMG-OWOJBTEDSA-N 344.600 2.179 0 3 EEAF NCc1cc(=O)c2ccc(OCc3cn(-c4ccccc4)nn3)cc2o1 1857572388 CGOXXWSVMXCQTH-UHFFFAOYSA-N 348.362 2.411 0 1 EEAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=O)N(N)C2=O 6482542 HDOMUOSSPZHKBI-NRNRTASOSA-N 332.444 2.149 0 1 EEAF CCCN(CCC)CCNc1n[n+]([O-])c2ccc(C(C)C)cc2[n+]1[O-] 101103259 MWJHNMHLOFINNX-UHFFFAOYSA-N 347.463 2.159 0 1 EEAF COCCc1ncc(CN2CC[C@@]3(CCCN(CC4CC4)C3)C2)cn1 55072626 YMUXLZJXHPWBAB-HXUWFJFHSA-N 344.503 2.363 0 1 EEAF CC(C)(C)NCC(=O)N1CC[C@H]1C(=O)c1nc2ccccc2s1 28455271 YOKPIHSZQNQBJC-LBPRGKRZSA-N 331.441 2.468 0 1 EEAF CCn1cnc2c1Nc1ccc(F)cc1N=C2N1CCN(C)CC1 26397806 IWNODRBCERXCOR-UHFFFAOYSA-N 328.395 2.425 0 1 EEAF COc1c(O)ccc2c1-c1c3c(cc4c1[C@H](NCC4)C2=O)OCO3 2356785274 SEFJWXLIIXFJLQ-HNNXBMFYSA-N 325.320 2.180 0 1 EEAF CCc1c(C)[nH]c(=O)c(NNC(N)=S)c1Cc1cccc(C)c1 40880989 PDOPWZISFXKTQD-UHFFFAOYSA-N 330.457 2.305 0 1 EEAF COc1ccc2[nH]c3c(c2c1)C[C@H]1[C@@H]2CO[C@@H](C)[C@H]4[C@@H]2C[C@@H]3N1[C@@H]4O 85916624 WDGLSKZTHGGYAU-JKUULAEDSA-N 340.423 2.447 0 1 EEAF N#Cc1ccc2c(c1)CCN2[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 149032526 CLAMHLMQEFAASJ-OAHLLOKOSA-N 330.395 2.471 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)CCO)nc1)O2 587388063 VGLRQFBWTGCBMC-INIZCTEOSA-N 327.384 2.107 0 1 EEAF Nc1ccnc2[nH]c(-c3cncc(I)c3)nc12 587184238 GMNLTGJJGJCDAF-UHFFFAOYSA-N 337.124 2.207 0 1 EEAF C[C@@]1(c2ccnc(N)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577546 SOABKFNTJISYHG-BEFAXECRSA-N 349.346 2.641 0 1 EEAF COc1cc(OC)c(-c2ccc3c(O)nc(O)nc3n2)cc1C(C)=O 587560199 XWMUHPJDGSAGHG-UHFFFAOYSA-N 341.323 2.323 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)NCC2(C)C 587799864 ZJLBHTRTJJFPMT-VXJOIVPMSA-N 341.224 2.474 0 1 EEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(F)c(F)c2[nH]1 586946324 VCMOSLIODLUQHQ-UHFFFAOYSA-N 341.339 2.459 0 1 EEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(F)cc2[nH]1 586929575 FNJQQINRDIKXNR-UHFFFAOYSA-N 335.360 2.237 0 1 EEAF CCc1c(CC(=O)N[C@@H]2CCOC2=O)[nH]c2ccc(F)c(Cl)c12 587631633 RJLFIBGBJSNHBO-LLVKDONJSA-N 338.766 2.497 0 1 EEAF N[C@H](N=O)c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 957725178 QYGKWCAQAMHTMK-MRXNPFEDSA-N 339.351 2.475 0 1 EEAF Cc1ccc([S@](=O)CCNC[C@@H](O)COc2ccccc2)cc1 169345725 ISTKBENNVNORSW-WAIKUNEKSA-N 333.453 2.132 0 1 EEAF N[C@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 13730939 YTEBHKVWLVDMRI-QGZVFWFLSA-N 347.413 2.357 0 1 EEAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ncccn3)CC2)o1 103290121 IEZVKCKRXKEQJJ-UHFFFAOYSA-N 349.394 2.402 0 1 EEAF CC[C@H]1NC(=O)COC12CCN(CCc1c[nH]c3ccccc13)CC2 27996293 SFGVJXHPRDRVKE-GOSISDBHSA-N 341.455 2.470 0 1 EEAF C[C@@H]1OC(=O)c2c(O)cc(O)cc2CC(=O)CCCCC=C[C@@H]1O 2356849232 PUBJBUSNXLSOQM-NHYWBVRUSA-N 334.368 2.246 0 1 EEAF CCCNC(=O)[C@]1(C)CCN(C(=O)c2cc(C)nn2C(C)(C)C)C1 61898020 XIKXRIVGXGGNQW-GOSISDBHSA-N 334.464 2.325 0 3 EEAF COCCOc1ccnc2nc(CCc3cc(OC)ccn3)[nH]c12 38387870 CCICVMYDLWZHRU-UHFFFAOYSA-N 328.372 2.172 0 1 EEAF NC(=O)c1nc(-c2ccccc2O)nc2c1ncn2Cc1ccccc1 49784885 LJBKQWVIAUXHTB-UHFFFAOYSA-N 345.362 2.346 0 1 EEAF CS(=O)(=O)c1c(O)n(Cc2ccccc2)c(=O)c2ccccc12 40641286 WUXKYSJTGCJPIU-UHFFFAOYSA-N 329.377 2.159 0 1 EEAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(CO)cc2[nH]1)C(C)C 586932613 HYIUJKLYYHVNQH-HNNXBMFYSA-N 339.461 2.472 0 1 EEAF N=c1[nH]cc2nc(-c3ccc4[nH]nc(Br)c4c3)nc-2[nH]1 587007175 NGLUQZHPFSQZQZ-UHFFFAOYSA-N 330.149 2.023 0 1 EEAF CCOC(=O)CCOCCCOCCc1nc2c(C)nc(C)cc2[nH]1 587570337 VOXPDANIMCXTAX-UHFFFAOYSA-N 349.431 2.494 0 1 EEAF O=C1C[C@]2(CC[C@@H]3[C@@H](C(=O)O)NC[C@@H]32)Oc2c1ccc1c2CCCC1 587526215 QIEMNAROIUYIQW-GGLFYADGSA-N 341.407 2.352 0 1 EEAF N=c1[nH]c2nc(-c3ccc4c(c3)NC(=O)CS4)nc-2c(Cl)[nH]1 587044155 QGVSEZKESGSSJP-UHFFFAOYSA-N 332.776 2.082 0 1 EEAF O=C(O)C1=C[C@]2(C=CO1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962761212 HCSDHDSRMVUAJT-ABAIWWIYSA-N 339.269 2.040 0 1 EEAF CC(C)NS(=O)(=O)Cc1noc2ccc(Br)cc12 169335035 JRWOMENTLYNFFC-UHFFFAOYSA-N 333.207 2.418 0 1 EEAF CCNC(=O)NC[C@@H]1Cn2c(-c3cccc(Cl)c3)cnc2CO1 2356301571 BPTDWTTVDUVHML-CYBMUJFWSA-N 334.807 2.421 0 1 EEAF COc1ccc(C(=O)N2C[C@H]3C[C@H]2C(=O)Nc2ccccc2O3)cc1 2356417808 MYKGZSKACAFSDW-ZBFHGGJFSA-N 338.363 2.309 0 1 EEAF COC(=O)[C@H](NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2)C(C)C 58608589 DLGZWMIOYIHKDN-PXEBMZJWSA-N 331.368 2.299 0 1 EEAF CCCN(CCCS(C)(=O)=O)[C@H]1CCc2c(O)cccc2C1 28010684 REHXXYIOTYMGDS-HNNXBMFYSA-N 325.474 2.396 0 1 EEAF COc1cc2c(cc1-c1cnco1)C(=O)N(C)C1(CCOCC1)N2 28529808 VCXGNWHWFAKQKX-UHFFFAOYSA-N 329.356 2.354 0 1 EEAF CC(C)NC(=O)C1=CC2=N[C@@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1 104009536 GVZPRLXQUYSPGF-SKDRFNHKSA-N 342.321 2.283 0 3 EEAF CCc1nc2c([nH]1)N(Cc1ccc(Cl)cc1)C1=NCCN1C2=O 28223350 GLPRYGOIJNWIMX-UHFFFAOYSA-N 329.791 2.458 0 1 EEAF CC(C)CN(Cc1cccc(CN(CC(C)C)C(=N)N)c1)C(=N)N 27100623 XNJYGULBIRHRNN-UHFFFAOYSA-N 332.496 2.390 0 1 EEAF CC(C)Nc1nc(-c2ccc(N(C)C)nc2)cc2ncn(C)c(=O)c12 115626180 SGKCQTULNFJPLD-UHFFFAOYSA-N 338.415 2.277 0 1 EEAF CCNc1cc([C@@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn12 66100196 XZMAQRXTUAMTRE-GFCCVEGCSA-N 325.420 2.029 0 1 EEAF COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1[C@H](C2)NC[C@@H]3O 6017808 PHYCJVQUJONSNZ-STQMWFEESA-N 343.379 2.319 0 1 EEAF biogenic Cc1nc(C)n([C@H]2CCCN(C(=O)c3nc(C)n4ccccc34)C2)n1 72294757 QEABRUVLAQWNNN-HNNXBMFYSA-N 338.415 2.328 0 1 EEAF CCCn1cc(NS(=O)(=O)c2c(C)cc(OC)c(C)c2C)nn1 199939464 MYWNSOGYARQPFM-UHFFFAOYSA-N 338.433 2.423 0 1 EEAF CC[C@@H]1N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 256429085 LDBVYQSHIPCQPT-RIFKIGPDSA-N 328.412 2.008 0 1 EEAF CCO[C@@H](/C=C/C=C/[C@H](C)O)CC/C=C/C(=O)NCC(C)(C)O 653690526 QYFDCLLLDJSPJX-XMTCXXTRSA-N 325.449 2.108 0 1 EEAF Nc1c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cnc2c(F)cccc12 587176227 INAFIZJIZJIHNM-UHFFFAOYSA-N 346.329 2.475 0 1 EEAF Oc1nc(NCc2ccccc2)c2nc(-c3csc(O)n3)nc-2[nH]1 587016987 GYZNWPFGRZKKHU-UHFFFAOYSA-N 340.368 2.451 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 586951342 XBXQQLKKKCNYRC-UHFFFAOYSA-N 327.369 2.478 0 1 EEAF Cc1nc(N2CCCCC2)ncc1-c1ccc2c(O)nc(O)nc2n1 587556611 BRZPJDFICSLADX-UHFFFAOYSA-N 338.371 2.192 0 1 EEAF CC(=O)O[C@@H]1C[C@@H]2C[C@@H](OC(=O)/C=C\c3ccccc3)C[C@@H]1N2C 169352084 QKTXQEDBXGTOFH-UBTFRALASA-N 329.396 2.410 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)cc1 169355026 USPKYYZDABFFSZ-VMCMIOBHSA-N 342.782 2.038 0 1 EEAF C[C@@H]1C(=O)NC(=Cc2ccccc2)c2nc3c(c(=O)n21)C=CC=CO3 2356323613 CJYUEDLQBHFMDJ-GFCCVEGCSA-N 333.347 2.352 0 1 EEAF CC(C)Nc1nc(-c2ccc(CCO)cc2)cc2ncn(C)c(=O)c12 115621895 PBBJUTVJEFEMFV-UHFFFAOYSA-N 338.411 2.351 0 1 EEAF Cc1nc(C(=O)Nc2cccc([C@]3(C)COCC(N)=N3)c2)cs1 113658461 NXPMSJJJEIMDON-INIZCTEOSA-N 330.413 2.306 0 1 EEAF CCn1c(CCc2ccccc2Cl)nc(N2CCNCC2)cc1=O 45301153 GMNOOVPUIRPJCT-UHFFFAOYSA-N 346.862 2.111 0 1 EEAF Cc1nc(N)nc2c1cc(-c1cccnc1N)c(=O)n2C1CCCC1 141263537 GUANUCZINZYKFC-UHFFFAOYSA-N 336.399 2.441 0 1 EEAF Cc1c(Br)cnc2[nH]c([C@@H](O)C3CCOCC3)nc12 586913481 LTALVLKTEHXOGX-NSHDSACASA-N 326.194 2.489 0 1 EEAF Cc1c(Br)cc2nc(C[C@H](O)CC(=O)O)[nH]c2c1C 586890879 PEWWXIDPKLCGCN-QMMMGPOBSA-N 327.178 2.320 0 1 EEAF CN1CCN(c2ccc3nc([C@H](N)Cc4cscn4)[nH]c3c2)CC1 587029547 PTDJSLBGKZJRIV-CQSZACIVSA-N 342.472 2.014 0 1 EEAF Oc1nncc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587168684 LVBYPJNFXNLOPO-UHFFFAOYSA-N 337.318 2.323 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(CCO)cc2[nH]1 587230571 HYUGXFXJJQLHNG-LSDHHAIUSA-N 345.443 2.134 0 1 EEAF CC(C)[C@H](N)[C@@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962959039 DJSKVVQXIAHKQN-DGFSRKRXSA-N 332.778 2.416 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cc(=O)c3ccccc3[nH]2)N1 962890037 AQBFMPNVSBNPRQ-MAUKXSAKSA-N 338.338 2.356 0 1 EEAF COc1ccc(CNC(=O)c2cccc(C(=O)O)c2OC)cc1OC 205646671 GAYXEWXTWCQIEF-UHFFFAOYSA-N 345.351 2.341 0 1 EEAF CC(=O)c1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1 1857579797 JMYOMNNOATYHGH-UHFFFAOYSA-N 340.427 2.270 0 1 EEAF CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 3827030 OETFRCASQSHMLL-HNNXBMFYSA-N 346.427 2.164 0 1 EEAF COc1ccc(C(=O)N2CCC3(CC2)CN(c2ncccn2)C3)cc1 3956218 NJYVTNWVJFXSER-UHFFFAOYSA-N 338.411 2.228 0 1 EEAF O=c1cc(C2CCNCC2)nc(C2(c3ccccc3)CCOCC2)[nH]1 23399424 QEWAAYKZKKTJBC-UHFFFAOYSA-N 339.439 2.333 0 1 EEAF Cn1cc(C(=O)CN2CCOCC2)cc1C(=O)c1cccc(Cl)c1 29332239 PJTYSSAAZOVKPS-UHFFFAOYSA-N 346.814 2.424 0 1 EEAF COc1cccc(N(CC(=O)O)C(=O)[C@H](C)CSC(C)=O)c1 27732316 WNBTXZFHTRRRBT-SNVBAGLBSA-N 325.386 2.029 0 1 EEAF CC1=CC[C@@H]2[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@@H](OC(=O)C(C)C)C[C@]2(C)O 2356594598 WJNZGUAPRXHHKP-XPTZIUJPSA-N 336.428 2.469 0 1 EEAF COC(=O)n1c2cc(O)ccc2c2oc(C(=O)N3CCOCC3)cc21 26385320 XYQHVYFPCQUMOS-UHFFFAOYSA-N 344.323 2.180 0 1 EEAF CN(CCc1noc(C2CC2)n1)C(=O)C1(N2CCCC2)CCCC1 65488405 OYQRZBNAUCBYAG-UHFFFAOYSA-N 332.448 2.357 0 1 EEAF N=c1nc(-c2cc(OCc3ccccc3)c3c(=N)[nH][nH]c3c2)cc[nH]1 1911584851 RIWDMWMIKVSLFL-UHFFFAOYSA-N 332.367 2.424 0 1 EEAF CCNC(=O)N1CCC[C@@]12CCCN(c1ncnc3[nH]ccc13)C2 143755107 OSLXDTSEKCUZTF-QGZVFWFLSA-N 328.420 2.122 0 1 EEAF CNCCCn1c2c(c3ccc(N)cc3c1=O)[C@H](O)c1ccccc1-2 95552689 MFMDWKOWKFXPQN-LJQANCHMSA-N 335.407 2.255 0 1 EEAF O=c1[nH]c(-c2cccc(NS(=O)(=O)c3cccnc3)c2)cs1 95604678 DQAJHLGNDWXJGY-UHFFFAOYSA-N 333.394 2.299 0 1 EEAF CCCCc1nc(Cl)c(C(=O)N[C@@H](CCSC)C(=O)O)n1C 473129071 FKINCRVYAPJWGX-VIFPVBQESA-N 347.868 2.352 0 1 EEAF CCOc1cc(CN[C@H]2COC[C@@H]2Cc2cc(C)no2)ccc1O 299842241 DSJBAYJTHCQFHS-HOCLYGCPSA-N 332.400 2.435 0 1 EEAF COc1ccc(OC(=O)N2CCNC[C@H]2CCc2cccnc2)cc1 653813328 RFEWDVWYHNNHIB-MRXNPFEDSA-N 341.411 2.496 0 1 EEAF C[C@@]1(CS(C)(=O)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606689 ITSMEAWNYUNGJU-YOEHRIQHSA-N 348.376 2.157 0 1 EEAF Cc1ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2n1 587024340 WAVIKTYWVAWSOJ-UHFFFAOYSA-N 346.416 3.056 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CN2CCOCC2)N1 587772458 HPOQQEZGFNDVIC-MEBBXXQBSA-N 343.240 2.496 0 1 EEAF COC(=O)c1ccc(-n2c(O)c(C)c(C)c2O)c(O[C@H]2CCOC2)c1 587924917 MRBBJABKYHOBRJ-ZDUSSCGKSA-N 347.367 2.460 0 1 EEAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2nccc(N)c2[nH]1 587037943 AVZSTZJKMAFGKT-UHFFFAOYSA-N 333.377 2.406 0 1 EEAF Nc1nnc(CS(=O)(=O)c2c[nH]cc2-c2ccc(Cl)cc2)o1 1772571185 DGUHTNMLZAPHOY-UHFFFAOYSA-N 338.776 2.274 0 1 EEAF CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 11664340 QSVRAGHCOWYAPB-MRXNPFEDSA-N 327.432 2.240 0 1 EEAF C[C@@H](NC(=O)Cc1cc2c(cc1Cl)OCCO2)c1ccncn1 19939942 BYZJFCFCYONGDE-SNVBAGLBSA-N 333.775 2.321 0 1 EEAF Cn1cc(C(=O)NCc2ccccn2)c2c3ccccc3n(C)c2c1=O 423572 YCPKZXBOMDEJMD-UHFFFAOYSA-N 346.390 2.355 0 1 EEAF Fc1cnccc1CN1C[C@H](F)[C@@H](OCc2nc3cnccc3[nH]2)C1 2356299262 DETLPJFARYTVBO-BBRMVZONSA-N 345.353 2.231 0 1 EEAF CCCc1nc(N)nc(N)c1Cc1cc(OC)c(OC)c(OC)c1 27625662 WVIKXHWIRHHYCA-UHFFFAOYSA-N 332.404 2.210 0 1 EEAF Cc1ccc(C)n1Nc1nnc(N2CCOCC2)c2c1CCCC2 26019069 HKDIXBYXHDJMSY-UHFFFAOYSA-N 327.432 2.486 0 1 EEAF C[C@@H](Oc1ccc(CCNC[C@@H](O)c2ccccc2)cc1)C(=O)O 29057987 HLUSMAFXENNUTF-RDTXWAMCSA-N 329.396 2.404 0 1 EEAF CC(C)C=CC=C(CO)[C@@H]1CC[C@@]2(C)C[C@@](O)(CC[C@H]2O)[C@H]1CO 2356530826 SQOSIRPMZMWBHD-KNJMJIDISA-N 338.488 2.418 0 1 EEAF COc1ccc(CCn2c(=S)[nH]c(=O)c3nccnc32)cc1OC 36380854 AVHLVRPRKHERLV-UHFFFAOYSA-N 344.396 2.109 0 1 EEAF CC(C)[C@@H](N1CCOCC1)C(O)(c1cccnc1)c1cccnc1 38278223 BOEKOZVTAVMFTP-GOSISDBHSA-N 327.428 2.069 0 1 EEAF COc1ccc2c(=O)c(C(N)=O)c(-c3ccc4c(c3)OCO4)[nH]c2c1 49066954 RVCWZZWGXXYPBL-UHFFFAOYSA-N 338.319 2.031 0 1 EEAF CC1(C)OC(=O)C(c2nc3cccc(OC(F)(F)F)c3[nH]2)=C1N 587255624 SZNVEGFYKLHJOB-UHFFFAOYSA-N 327.262 2.467 0 1 EEAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(F)cnc3[nH]2)cc1 586941705 VOIVMMVPPHNKPR-SREVYHEPSA-N 346.387 2.496 0 1 EEAF COc1cc(-c2ccc3c(O)nc(O)nc3n2)cc(OC)c1OC 587559213 GFHSITGBDIFMLE-UHFFFAOYSA-N 329.312 2.129 0 1 EEAF CCN(CC)S(=O)(=O)c1ccc2nc(C3CC4(COC4)C3)[nH]c2c1 586915414 METZVCRJUATIRS-UHFFFAOYSA-N 349.456 2.487 0 1 EEAF CCN(CC)C(=O)CC[C@H]1NC(=O)c2cc(Cl)ccc2NC1=O 1772583949 XIEYDYLKSVLMEF-CYBMUJFWSA-N 337.807 2.039 0 1 EEAF Oc1nc2c(c3nc(-c4ccc[nH]4)nn13)CN(Cc1ccccc1)CC2 13824557 JTMIYINXPFHEQM-UHFFFAOYSA-N 346.394 2.383 0 1 EEAF O[C@H]1C[C@H](O)[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]1OCc1ccccc1 169373243 MORPIEPGKNRPKN-AVEIZBFRSA-N 334.412 2.142 0 1 EEAF Nc1ccccc1C(=O)NCC(=O)NC=Cc1c[nH]c2ccccc12 2356415973 DCQDGRBMXXRGIN-UHFFFAOYSA-N 334.379 2.267 0 1 EEAF COc1cc(-c2cc3nc(C)c(C)c(=O)n3[nH]2)cc(OC)c1OC 103947582 CODRLRMNZRWKKU-UHFFFAOYSA-N 329.356 2.332 0 3 EEAF CCC(=O)SC[C@H](CO[P@](=O)(O)OC)SC(=O)CC 27408664 SDZONHYSDPITNX-QMMMGPOBSA-N 330.364 2.458 0 1 EEAF C[C@@H]1C(=O)[C@@]23[C@@H]([C@H](O)C[C@H]1[C@H]2O)[C@@]1(C)CCCC(C)(C)[C@H]1C[C@H]3O 2356646443 CVQIEWZWXJRAQL-HOUIVXSFSA-N 336.472 2.147 0 1 EEAF N[C]1SC=CN1CC(=O)c1ccc(I)cc1 2356817598 JUENGRSMKZIJCB-UHFFFAOYSA-N 345.185 2.400 0 1 EEAF O=c1c2ccc(NCCO)cc2nc(O)n1-c1cccc(Cl)c1 34849683 VPLYHFYREVBJOL-UHFFFAOYSA-N 331.759 2.149 0 1 EEAF COc1cc(-c2nc(CN3CCOCC3)co2)cc(OC)c1OC 72182928 CDNWPDHSWTXBEZ-UHFFFAOYSA-N 334.372 2.200 0 1 EEAF O=C(O)CNC(=O)c1cn2cc(-c3cccc(Cl)c3)ccc2n1 40584275 HJGNGTNMLDKKOW-UHFFFAOYSA-N 329.743 2.469 0 1 EEAF CCCCNC(=O)Cn1cccc(NC(=O)c2ccccc2)c1=O 43021213 NDXSJMOANMVTHD-UHFFFAOYSA-N 327.384 2.017 0 1 EEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@@H]2CNC(=O)C2CCCC2)cc1 95666917 ZNLBJGVRUDBQBQ-IMQKRCPESA-N 328.456 2.442 0 1 EEAF c1cnc(N2CCN([C@H]3CCC[C@@H]4CN(CC5CC5)C[C@H]43)CC2)nc1 299843386 QYKBHUSGSYXIEG-QRVBRYPASA-N 341.503 2.109 0 1 EEAF Nc1cc(CC[C@@H]2CN(Cc3ccc(C(=O)O)cc3)CCO2)ccn1 299850820 KGHGPJSBXSNCNS-QGZVFWFLSA-N 341.411 2.196 0 1 EEAF Nc1nn2c(=O)cc(-c3ccc4n[nH]cc4c3)[nH]c2c1-c1ccccn1 653681694 KFWDXIXQNPFMPU-UHFFFAOYSA-N 343.350 2.210 0 1 EEAF COc1cc(OC)c2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2c1 587249769 MSGKARJNMJMWMI-UHFFFAOYSA-N 327.340 2.451 0 1 EEAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CC(N)=O 587862629 SMFLMFZYFUPLEV-UHFFFAOYSA-N 327.262 2.093 0 1 EEAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cncnc4[nH]3)cc12 587036979 BZBLJEHAJIFFKR-QMMMGPOBSA-N 341.400 2.101 0 1 EEAF CCOC(=O)C[C@@]1(c2cnccn2)NCCc2ccc(F)c(C)c21 962095191 WKOFMBWWNBBKIB-SFHVURJKSA-N 329.375 2.267 0 1 EEAF CCOC(=O)C[C@]1(C(F)F)NC[C@H]2CC(=O)N(C)c3cccc1c32 963023302 JOUZGMDVOVBCKD-QGHHPUGFSA-N 338.354 2.154 0 1 EEAF NC(=O)CCn1c(C(=O)c2ccc(Cl)cc2)c2ccccc2[n+]1[O-] 15934846 VIYRZVDOMKSPGJ-UHFFFAOYSA-N 343.770 2.035 0 3 EEAF Cc1ccc2c(c1)N([C@@H](C)C(=O)NCCc1ccccc1)C(=O)CO2 423171 ZVGOMPJIBVWMPH-HNNXBMFYSA-N 338.407 2.468 0 3 EEAF C[C@H]1CN2c3c(cc(Cl)cc3NS2(=O)=O)CN1CC1CC1 53151268 LUMJACVICIMYFZ-VIFPVBQESA-N 327.837 2.431 0 1 EEAF Nc1ncc(-c2nc(N3C[C@H]4CC[C@H](C3)O4)c3sccc3n2)cn1 101306979 RQUSSQSOEJOAEP-GHMZBOCLSA-N 340.412 2.098 0 1 EEAF COc1ccc([C@H]2Oc3cc(O)c(OC)c(O)c3C(=O)[C@H]2OC)cc1 103188263 IOJDFBLITNGTRH-SJLPKXTDSA-N 346.335 2.446 0 1 EEAF CCc1noc(-c2ncn3c2CN(C)C(=O)c2c(F)cccc2-3)n1 26390719 ZJWLUYBLLAQTAQ-UHFFFAOYSA-N 327.319 2.209 0 1 EEAF O=c1cc2c(nn1Cc1cccc(C(F)(F)F)c1)[C@H]1CNC[C@@H]2C1 68150420 GYULULNOQQDFMH-NWDGAFQWSA-N 335.329 2.485 0 1 EEAF CC(C)OP(=O)(COCCOc1cc(N)nc(N)n1)OC(C)C 72178673 PXPFACYWCXSPRV-UHFFFAOYSA-N 348.340 2.037 0 1 EEAF CC1(C)O[C@@H]2O[C@H](C(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 31872483 INTCVMYMFRDPEA-YXMSTPNBSA-N 334.368 2.266 0 1 EEAF O=C(O)Cc1c(O)cc(Br)c(O)c1Br 13450148 YZGPVGNZACCBOP-UHFFFAOYSA-N 325.940 2.250 0 1 EEAF biogenic CCN1C(=O)N(C)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565587 PAMMWOFVRVCVAA-LBPRGKRZSA-N 330.215 2.366 0 1 EEAF CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(C[C@@H]23)[C@H](O)CCC4(C)C)OC1=O 257569242 VOFXXOPWCBSPAA-NUDGZBOLSA-N 346.379 2.139 0 1 EEAF endogenous,in-man O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc(C3OCCO3)o2)N1 962899043 QAGJVHKXVJTWEL-WFASDCNBSA-N 333.315 2.152 0 1 EEAF COC(=O)C1=C[C@@]2(CC1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962764208 KWSZZTKLTISENV-XJKSGUPXSA-N 339.313 2.421 0 1 EEAF CC[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cn2)n1 204412208 YXDGOLUOGDHECC-LLVKDONJSA-N 326.322 2.418 0 1 EEAF Cc1c[nH]c2ncnc(O[C@H]3CC[C@H](N4C[C@@H]5C[C@H]4CO5)CC3)c12 1857638771 MDSYPQCLEJWKME-AJNGGQMLSA-N 328.416 2.429 0 1 EEAF COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@@H]1CCC1(C3)OCCO1 1601620 JTYRAFPUZSECSU-YZVOILCLSA-N 345.439 2.442 0 1 EEAF O=C(NCCO)Nc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O 1656559 TUWIDVJESWSRIO-UHFFFAOYSA-N 341.289 2.175 0 1 EEAF COc1cc2oc(C)cc(=O)c2c(O)c1C[C@H](C)C(=O)C[C@@H](C)O 2356417677 IIUMSUVLRUBHEB-VHSXEESVSA-N 334.368 2.334 0 1 EEAF CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(CCCC4(C)C)[C@@H](O)[C@H]23)OC1=O 103279087 CDBBMEYPRMUMTR-RZXXLYMMSA-N 346.379 2.139 0 1 EEAF C[C@H]1N(C)C(=O)COC12CCN(CCc1c[nH]c3ccccc13)CC2 27983009 CXFXJZUPHCJQHE-OAHLLOKOSA-N 341.455 2.422 0 1 EEAF O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 28864020 HPAKCEYAQQECIE-RNJOBUHISA-N 343.301 2.200 0 1 EEAF C[C@]12C[C@@H]1CC[C@]1(C)[C@@H]3C[C@@H]4OC(=O)C(CO)=C4C=C3[C@H](O)C[C@@H]21 2356494009 ONNYIOKWWWSKHZ-AHAFDECVSA-N 330.424 2.354 0 1 EEAF C[C@@H]1O[C@H](OCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 2356629471 GEMAYWCAMMUVTD-HWMZRRJGSA-N 332.437 2.455 0 1 EEAF CC=C1NC(=O)[C@@H](Cc2cc(Cl)c(O)c(Cl)c2)N(C)C1=O 2356805888 AEFDYPFFZOCXNS-LLVKDONJSA-N 329.183 2.102 0 1 EEAF CO[C@@H]1C[C@@H]2O[C@@]23CCN2CCCc4cc5c(cc4[C@@]23C1)OCO5 14692317 VZCXOCQQSFKKFK-MAAHGYRXSA-N 329.396 2.209 0 1 EEAF biogenic COC[C@@H](NC(C)=O)C(=O)NCc1ccc(-c2cccc(F)c2)cc1 49112227 LTBKZPTYXQBESW-GOSISDBHSA-N 344.386 2.260 0 1 EEAF C[C@H](CO)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142946067 CGAIENVNQZIGEE-ZCFIWIBFSA-N 333.241 2.005 0 1 EEAF Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(OC(C)C)c12 96914067 BVDRYKIEOJORMG-UHFFFAOYSA-N 332.400 2.346 0 1 EEAF O=C(O)c1ccccc1-n1cc(CN2CC[C@H](c3cc[nH]n3)C2)cn1 299851555 USTANZGNWGPKGE-AWEZNQCLSA-N 337.383 2.283 0 1 EEAF Cc1ccccc1-c1nc2nc(-c3ccc4nn[nH]c4c3)cc(=O)n2[nH]1 653666144 BULPKYGBRFHBTD-UHFFFAOYSA-N 343.350 2.331 0 1 EEAF NC(=O)c1cccc2nc(CCNC(=O)OCc3ccccc3)[nH]c12 587228781 YBQRWQUIOZOQAP-UHFFFAOYSA-N 338.367 2.131 0 1 EEAF CN(C)S(=O)(=O)CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586929835 BDXKKQYKMHMGHY-UHFFFAOYSA-N 339.314 2.155 0 1 EEAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccnc(N)c3[nH]2)c1 586929836 BFXXUKQMNQZPMS-UHFFFAOYSA-N 345.428 2.238 0 1 EEAF COC(=O)c1ncccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435838 LFYMESHFTRQSTJ-SJKOYZFVSA-N 325.320 2.366 0 1 EEAF COc1cc(C)ccc1OCc1nc2cccc(S(N)(=O)=O)c2[nH]1 587564610 MLFICLGXBGGKNN-UHFFFAOYSA-N 347.396 2.106 0 1 EEAF Cc1cccc2ncc([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)n12 962915254 BCRXSRAQVPMEHO-SUMWQHHRSA-N 325.343 2.470 0 1 EEAF Cc1cc2c(cc1O)[C@@H](c1cn(C)c3ncccc13)N[C@H](C(=O)O)C2 963475032 ZDCXTYHDMXWVRN-RDJZCZTQSA-N 337.379 2.276 0 1 EEAF COC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1Cc1ccccc1 13830039 KOKIVKBVNQMAND-HNNXBMFYSA-N 331.393 2.495 0 3 EEAF NC(=O)c1cccc(NCCCN2CCN(c3ccccc3)CC2)c1 169339946 QIPSIKHBTZAWAY-UHFFFAOYSA-N 338.455 2.410 0 1 EEAF COC(=O)C(C(=O)OC)[C@@H]1O[C@@]23COC=C[C@@]2(C)[C@@H]3c2ccccc21 169356231 PMTNJZPBVCGODU-LVFSCSRESA-N 344.363 2.106 0 1 EEAF CCCCn1nnnc1[C@@H](C1CC1)N1C(=O)C(=O)c2ccccc21 206050898 IXXGSBQZOXKFJB-CQSZACIVSA-N 325.372 2.154 0 3 EEAF OC[C@H](NCCc1ccccc1O)c1ccc(O)c2nc(O)ccc12 1857649366 DNXVWLLZOBVJCK-HNNXBMFYSA-N 340.379 2.217 0 1 EEAF CCOC(=O)C1CCN(C(=O)c2cc3cc4c(cc3[nH]2)OCO4)CC1 1857655357 ZAGLUMDUZUFBPS-UHFFFAOYSA-N 344.367 2.312 0 1 EEAF COc1cccc(F)c1-c1cc(NC(=O)[C@H]2CCCNC2)ncn1 117312114 XAMCFOQPATUPRC-NSHDSACASA-N 330.363 2.229 0 1 EEAF CN(C)CCNC[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 22872559 GQDCCQZLTJWGAC-IBGZPJMESA-N 338.451 2.439 0 1 EEAF O=C1Oc2ccccc2[C@@H](O)[C@H]1Cc1c(O)oc2ccccc2c1=O 26501580 OCFKRQNGSJRUCD-MLGOLLRUSA-N 338.315 2.310 0 1 EEAF CCCC[C@@H](O)Cn1cc(CN2CCN(c3ccccc3)CC2)nn1 73198428 FZJPNJUPHFTSJC-LJQANCHMSA-N 343.475 2.151 0 1 EEAF COc1ccc([C@@H]2Oc3cc(OC)cc(OC)c3[C@@H](O)[C@@H]2O)cc1 14643076 PGWNAUWORYYLLS-SQNIBIBYSA-N 332.352 2.240 0 1 EEAF biogenic c1cc(OC[C@@H]2CN(C3CCC3)CCO2)ccc1CN1CCOCC1 40972717 LKJMWTSWMDOVIJ-FQEVSTJZSA-N 346.471 2.151 0 1 EEAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNC(=O)CC)cc1 95895379 GTUJJNILEQVMPG-MWYNQEDESA-N 344.455 2.311 0 1 EEAF CCCc1c(Sc2ccccc2)n(OCCO)c(=S)[nH]c1=O 98082382 SAMAYZNIAQGMHL-UHFFFAOYSA-N 338.454 2.430 0 1 EEAF Cc1nn(CCN)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565875 AAGWRBSJRXEYRE-UHFFFAOYSA-N 338.814 2.110 0 1 EEAF CN(C)[C@H]1C[C@H](c2c[nH]c3ccc(CN4C(=O)CNC4=O)cc32)C1 299847083 WXUMLPDMWNWBQA-JOCQHMNTSA-N 326.400 2.027 0 1 EEAF Nc1cc(CC[C@H]2CN(Cc3cccc(C(=O)O)c3)CCO2)ccn1 299851537 QHRZLWOJZUXKBA-KRWDZBQOSA-N 341.411 2.196 0 1 EEAF COC(=O)Nc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cn1 587245229 QNHAQIWKQXBIHL-UHFFFAOYSA-N 349.148 2.307 0 1 EEAF CCOC(=O)CC[C@@]1(CCC(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587399524 KMNAYFRUKGWIEU-SFHVURJKSA-N 349.383 2.489 0 1 EEAF Cc1nc2nc(O)nc(O)c2cc1Cc1c(C)[nH]c2ccccc2c1=O 587554923 KZEKSWHMVLKSBA-UHFFFAOYSA-N 348.362 2.485 0 1 EEAF COC(=O)c1csc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587453599 XLAMUXYQVRFEJX-YMTOWFKASA-N 331.349 2.427 0 1 EEAF O=C(c1cc(C(F)(F)F)n[nH]1)n1ncc2ccc(Cl)cc2c1=O 587652266 ZXOWTXQARFEQMC-UHFFFAOYSA-N 342.664 2.480 0 1 EEAF C[C@@H](Oc1cccc([C@]2(C)c3nn(C)cc3CCN2C)c1)C(=O)O 963955372 PMBRRQKOJJSLGW-KZULUSFZSA-N 329.400 2.023 0 1 EEAF NC1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 13649309 ZUOPWIBZOMMPIX-UHFFFAOYSA-N 345.374 2.101 0 1 EEAF COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCCO2)nc1=O 209703326 QGGCJRGMWINUAP-OAHLLOKOSA-N 342.395 2.423 0 1 EEAF CN(C)c1nc(-c2ccccc2CO)nc(=NCc2ccccc2)[nH]1 1857548629 FRGQYNJCMGLJSM-UHFFFAOYSA-N 335.411 2.131 0 1 EEAF CC[C@@H](C)[C@]12OC(=O)[C@]3(O)C[C@H](O1)c1c(cc(O)c(C)c1O)[C@@]32C 1857746021 RHIUTYRDTYSZNQ-GQLHBCAKSA-N 334.368 2.169 0 1 EEAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)N2CCC2)cc1OC 2356372061 XNUBGPNMUFNFAR-SNVBAGLBSA-N 332.356 2.258 0 1 EEAF Cc1ccccc1C(=O)N[C@@H]1[C@H](c2ccccc2C)C[C@H](O)[C@H]1O 2356286809 QTMROYXMPCOLGZ-INDMIFKZSA-N 325.408 2.311 0 1 EEAF C/C=C/CC(=O)NCCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26497430 ZGEWWADWDDABCX-BAABZTOOSA-N 348.424 2.042 0 1 EEAF CC(C)CCN[C@@H]1CO[C@@H]2[C@H](OC(=O)NC3CCCCC3)CO[C@@H]21 2356845199 OCIQLMUVEYZTFY-QBPKDAKJSA-N 340.464 2.216 0 1 EEAF CCOC(=O)c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)[C@H](O)C2 238774848 PIUQFMJYOHEDCV-ZBFHGGJFSA-N 346.335 2.017 0 1 EEAF Cc1cccc(NS(=O)(=O)c2cnc3sc(C)cn3c2=O)c1 230564247 BIOVDLBAVMWKBI-UHFFFAOYSA-N 335.410 2.174 0 1 EEAF CC(C)NC(=O)C1=Cc2cc(Br)ccc2S1(=O)=O 473154895 MIEYEMBNOLHPNQ-UHFFFAOYSA-N 330.203 2.102 0 1 EEAF CS(=O)(=O)c1cccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 586927904 ZFUJQLFZGOPDSE-AWEZNQCLSA-N 330.369 2.357 0 1 EEAF CNS(=O)(=O)c1cc(-c2nc3c(cnc4ccccc43)[nH]2)n(C)c1 586947613 WEXWNDPYAYDKEW-UHFFFAOYSA-N 341.396 2.025 0 1 EEAF NC[C@@H]1C[C@@]2(N[C@H](C(=O)O)Cc3cccc(F)c32)c2ccccc21 962904176 CBICRDOGMUMYIH-XGINMYPSSA-N 326.371 2.114 0 1 EEAF CCOC(=O)C[C@@]1(C(F)F)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023301 JOUZGMDVOVBCKD-DYZYQPBXSA-N 338.354 2.154 0 1 EEAF NC(=O)Cn1c(-c2ccc(Br)cc2)nc2cccnc21 13824771 UNOVDXMVXZMZEO-UHFFFAOYSA-N 331.173 2.346 0 1 EEAF CCCCC[C@@H]1CCCCC[C@@H](O)C[C@@H](O)[C@@H](O)/C=C/C(=O)O1 14852772 LEEBEEPDVOWSDN-JIKZLHLFSA-N 328.449 2.472 0 3 EEAF CNC(=O)Nc1ccc(OC[C@@H](O)CNC(C)(C)C)c(Cl)c1 169317241 GOSPBBYWTDAFBV-NSHDSACASA-N 329.828 2.219 0 1 EEAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](CO)NC4=O)c2nc1NC1CC1 206091977 PPKOMRSAECKGDB-OAHLLOKOSA-N 349.394 2.284 0 1 EEAF O[C@H](CNc1ccc(Cl)cc1)Cn1nnnc1-c1ccccc1 6822320 WUYYUMAJVBCFJX-OAHLLOKOSA-N 329.791 2.467 0 1 EEAF COC(=O)[C@H](C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1 104199382 VHYPCJYNFCEMGE-JTQLQIEISA-N 344.396 2.022 0 3 EEAF CC(C)CC(=N)C1=N/C(=C/c2ccc(O)cc2)C(=O)N1CC(=O)O 64744153 BJIZAOIYQSFLFE-ZNHNDQGZSA-N 329.356 2.124 0 1 EEAF in-vitro CC1CCN(C(=O)c2ncn(C)c2C(=O)N2CCC(C)CC2)CC1 61948670 LKVINYXFSTWQDI-UHFFFAOYSA-N 332.448 2.164 0 3 EEAF CC1(C)[C@@H](O)CC[C@@]2(C)C3=CC[C@](C)([C@H](O)CO)C[C@@H]3[C@H](O)C[C@@H]12 2356806409 AGLNNHMUZJAUFJ-ZTYBCSSNSA-N 338.488 2.250 0 1 EEAF COc1ccc(CCNc2nc(N3CCN(C)CC3)ncc2C)cc1 82202538 RASUVKDPASVULN-UHFFFAOYSA-N 341.459 2.200 0 1 EEAF Cn1cc(-c2cnc(N)c(C(=O)NCc3cccc(F)c3F)c2)cn1 84689364 IIDOHMDZNWCTPR-UHFFFAOYSA-N 343.337 2.273 0 1 EEAF CC(=O)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1 95587897 IXZAZBWJQHWVHS-UHFFFAOYSA-N 338.455 2.080 0 1 EEAF COc1cc(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc(OC)c1OC 299866128 OLEYKPKXSABUOM-BETUJISGSA-N 331.368 2.164 0 1 EEAF COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]2[C@H]3C[C@H]4[C@H]2C(=O)[C@@H]2[C@H]4[C@H]3[C@H]21 587446976 JHPDOUQWYHKSFC-KXVMBPBVSA-N 334.371 2.138 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@@H](C(=O)O)NC[C@H]31)CC2=O 587479685 CPBQCRUBGWJRLB-TVNRRRAASA-N 345.395 2.131 0 1 EEAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(CO)cc2[nH]1 586950064 OBHPYPVNMCPFON-UHFFFAOYSA-N 331.397 2.018 0 1 EEAF CCS(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(OC)cc2C)C1 13545271 LMZJRKRJWSKAPT-CYBMUJFWSA-N 325.430 2.248 0 3 EEAF C/C=C/[C@H]1Oc2ccc(OC)cc2N2C(=O)[C@H](C)[C@@H](OCOC)[C@@H]12 13783075 BSKPAPARTCMSGM-RYICTHJQSA-N 333.384 2.373 0 1 EEAF CC1CCN(C[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(C)C)CC1 1857644252 GWAKCZXMTVLDSS-RTBURBONSA-N 347.503 2.135 0 1 EEAF O=C(N[C@H]1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1)c1ccco1 6529815 VMUPECMTNJKKBP-GXTWGEPZSA-N 339.351 2.009 0 1 EEAF biogenic N[C@H](C(=O)O)[C@@H]1CC(O)=NN1Cc1ccc(-c2ccccc2)cc1 103265542 FQFHNTUAJXYVTM-RDJZCZTQSA-N 325.368 2.211 0 1 EEAF CN(C)CCNC(=O)c1nc2c3c(cccc3n1)C(=O)c1ccccc1-2 26154418 YNUHTMSFSUCUTO-UHFFFAOYSA-N 346.390 2.133 0 1 EEAF N=C(N)c1ccc(CC[C@H](CC(=O)O)c2cccc(C(=N)N)c2)cc1 58635399 CZMBCKCIGRXHMR-OAHLLOKOSA-N 338.411 2.446 0 1 EEAF O[C@@H](c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1 26008196 HEEFHYAIIXLPFX-DLBZAZTESA-N 331.322 2.178 0 1 EEAF COC(=O)N1CCCC[C@H]1c1cc(C(=O)NCc2cccnc2)no1 61907854 RUGXJGKGGBIYGC-AWEZNQCLSA-N 344.371 2.293 0 3 EEAF COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)OC(C)(C)C=C2 39316054 LUNQTBSXJCBXKL-UHFFFAOYSA-N 342.399 2.433 0 1 EEAF CC1(C)C=C(C(=O)NCCCNCc2cccc(O)c2)C(C)(C)N1 40466903 BFCNSWRRCVDWEG-UHFFFAOYSA-N 331.460 2.075 0 1 EEAF Nc1nc([C@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587536577 WTYVQIOBCFTFSN-KRWDZBQOSA-N 344.392 2.549 0 1 EEAF Oc1nccc2nc(-c3cncc(I)c3)[nH]c12 587186053 ZFUHMSJXMCYMDA-UHFFFAOYSA-N 338.108 2.330 0 1 EEAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 586893124 USNFKNPFUSSYQJ-MEDUHNTESA-N 345.424 2.356 0 1 EEAF COc1cc(-c2cc(OCCCN(C)C)n[nH]2)cc(OC)c1OC 13861431 WPMVLDMXZVLHNH-UHFFFAOYSA-N 335.404 2.433 0 1 EEAF COc1ccc(CN2CC[C@@H]3C=CC[C@@H](C(=O)O)[C@H]3C2=O)cc1OC 204832593 DTZAJVAQVWFENG-VBQJREDUSA-N 345.395 2.329 0 1 EEAF Oc1ccc(CC[C@@H]2CC[C@H](O)[C@@](O)(c3ccc(O)cc3)O2)cc1 2356428460 MJXQJVSQSNSYPR-CEXWTWQISA-N 330.380 2.416 0 1 EEAF O=C(c1cnccn1)N1CCC2(CC1)CCN(c1ccccn1)CC2 3955912 MGHYGNOFHXAXNF-UHFFFAOYSA-N 337.427 2.394 0 1 EEAF COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1cccs1 8829532 AFGQSDLHBNSGKG-CYBMUJFWSA-N 338.385 2.126 0 3 EEAF CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1OC[C@@H](O)[C@H]1O 26506782 SXFPESHSABVKRF-UPJWGTAASA-N 346.214 2.414 0 1 EEAF O=c1ccc2cc(OC[C@H](O)CNCCc3ccccc3)ccc2[nH]1 27109851 MOBQTGXWJSGMSI-QGZVFWFLSA-N 338.407 2.100 0 1 EEAF COc1cc([Si](C)(C)c2cc(OC)c(OC)c(OC)c2)ccc1O 210382559 HJUUQIYLQXNTAP-UHFFFAOYSA-N 348.471 2.249 0 1 EEAF Cc1cc2c(-c3ccc(S(=O)(=O)N(C)CCO)cc3)ccnc2[nH]1 40940501 FKJNWJPAAVSRNX-UHFFFAOYSA-N 345.424 2.151 0 1 EEAF COc1ccc([C@@H]2c3ccccc3O[C@@H]3NC(=S)N=C(N)[C@H]32)cc1 195377644 LIGQBVAGOUBEQV-INMHGKMJSA-N 339.420 2.407 0 1 EEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OCO3 587225110 NPKVLFVFQPKWKZ-LLVKDONJSA-N 339.351 2.375 0 1 EEAF CCOC(=O)C1[C@H]2CC3(C[C@H]12)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 587440256 FRHCPCCXWAALMQ-ILMDPAIBSA-N 328.364 2.401 0 1 EEAF CCOC(=O)Cc1ccccc1-c1ccc2c(O)nc(O)nc2n1 587559749 NDNIVTYLRJUEIJ-UHFFFAOYSA-N 325.324 2.209 0 1 EEAF CCS(=O)(=O)c1ccc2[nH]c(-c3cccnc3N(C)C)nc2c1 587195279 FXFUKBHBKPFRSW-UHFFFAOYSA-N 330.413 2.485 0 1 EEAF CCOC(=O)CSC[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453979 VREQXHSQCHFVMI-PXAZEXFGSA-N 336.409 2.498 0 1 EEAF O=C(O)C[C@@H]1CCC[C@@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963218018 FMIUUOHSOZGEKM-WQFAYQGZSA-N 340.379 2.304 0 1 EEAF CCC[C@@]1(CC(=O)C(=O)OCC)NCCc2c(C(=O)O)cccc21 963128954 BYODDKKXCRQGBE-SFHVURJKSA-N 333.384 2.048 0 1 EEAF CC1(C)Cc2c(sc(NC(=O)C(C)(C)O)c2C(N)=O)C(C)(C)O1 1772604175 KBQJHEQQYMAEOD-UHFFFAOYSA-N 340.445 2.143 0 1 EEAF COc1ccc(N[C@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1 12315527 ZHRBCMZOXWEKOA-INIZCTEOSA-N 328.416 2.454 0 3 EEAF COc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)cc1 13603243 DTFISVVKXQHVKF-UHFFFAOYSA-N 341.411 2.215 0 1 EEAF COC[C@H]1NC(=O)[C@H](C(=O)Nc2ccc(C3CCCCC3)cc2)C1=O 169727317 DHOFOEWETVBVCF-CVEARBPZSA-N 344.411 2.003 0 1 EEAF CC(=O)c1ccc(OCCSC(=S)N[C@H]2CCOC2=O)cc1 1857579844 FAQIQHLXONHSDX-ZDUSSCGKSA-N 339.438 2.191 0 1 EEAF O=C(NCCc1ccc(N2CCOCC2)cc1)c1ccc(O)cc1 1857754009 RAKREZPCPFNKGL-UHFFFAOYSA-N 326.396 2.201 0 1 EEAF CC(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 2356305739 CCXMQCBRHKALKY-NWDGAFQWSA-N 333.363 2.204 0 1 EEAF CC(C=CC(=O)N[C@H](CO)Cc1ccc(O)cc1)=C[C@H](C)CC(=O)O 2356752208 PWIPPVISROQJBU-HOCLYGCPSA-N 347.411 2.025 0 1 EEAF CCCCC[C@@H]1CCC[C@H](O)C[C@@H](O)C[C@@H](O)CC=CC(=O)O1 2356788690 CIKXQDGRSUPQKJ-MWDXBVQZSA-N 328.449 2.472 0 1 EEAF Cc1ccc(-c2csc(NC(=O)[C@H]3CCC(=O)NN3)n2)c(C)c1 618012895 FJRRZHJFKDMKQN-GFCCVEGCSA-N 330.413 2.149 0 1 EEAF Oc1nc(O)c2nc(-c3cc(Br)c(F)cc3F)[nH]c2n1 587136527 QOQAITXZDNCBPR-UHFFFAOYSA-N 343.087 2.472 0 1 EEAF CCOC(=O)[C@@H](CC(C)=O)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399772 MELFXNBKNIDKSL-FZKQIMNGSA-N 333.384 2.460 0 1 EEAF O=C(O)CSc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(F)c1 587368692 VMDBNYHEYPKTMD-UHFFFAOYSA-N 347.327 2.419 0 1 EEAF COc1ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2n1 587223248 BADNYTRMEAEUMW-LLVKDONJSA-N 326.356 2.050 0 1 EEAF CC1(C)[C@@H]2OCC[C@@H]2[C@]12c1c3c(cc4c1OCCO4)CC(=O)N2CC3 963269955 NAKGXZSZKKHKIF-VIZZQPHQSA-N 341.407 2.039 0 1 EEAF NC(=O)N1CCCc2cc(-c3cncc(N4CCCC4=O)c3)cnc21 1772649852 GREZWVMRZOLXPC-UHFFFAOYSA-N 337.383 2.102 0 1 EEAF CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1cccc(O)c1 101138380 OMSRYHNFLGTMAD-CQSZACIVSA-N 334.397 2.007 0 1 EEAF CC(=O)Nc1ccc(CN2CCN(CC(C)C)[C@@H](CCO)C2)cc1 22932716 VFOLNMXCWZJXGM-IBGZPJMESA-N 333.476 2.170 0 3 EEAF CC(C)(O)[C@]1(O)C=C2[C@H](O)C[C@@H]3[C@](C)(CCC[C@@]3(C)CO)[C@H]2CC1 39006323 YDGALDXSZGMRLF-LWFMFQAFSA-N 338.488 2.394 0 1 EEAF COC(=O)c1cc(OC)c(O)c2oc3c(c(=O)c12)[C@H](OC)OC(C)=C3 13385285 MUNKFZROFNVDJU-QGZVFWFLSA-N 348.307 2.330 0 1 EEAF biogenic CC(=O)c1c(O)c2c(c3c1OC(C)(C)[C@H](O)[C@H]3O)OC(C)(C)C=C2 14616781 DHWMEIUMQKRKAS-XJKSGUPXSA-N 334.368 2.344 0 1 EEAF biogenic CC1(C)[C@H](n2cnc3ccccc3c2=O)CC[C@H]2[C@@H](O)CCCN21 40393475 SKLQLEDKUDHMAK-YESZJQIVSA-N 327.428 2.335 0 1 EEAF CC(C)=C[C@@H]1C=C(CO)[C@H]2CC[C@@]3(C)C[C@](O)(CC[C@H]3O)[C@@H]2[C@H]1O 85643255 QJNNQAWDYFHGRK-FQALRZLUSA-N 336.472 2.170 0 1 EEAF CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)CCC=CCc2ccccc21 299812994 LBRGXKIEUSFACK-KXBFYZLASA-N 330.380 2.463 0 1 EEAF Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3Cc2cccc(F)c2)cn1 299842156 JVIXSEKSZAFPAY-IRXDYDNUSA-N 328.391 2.048 0 1 EEAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCc3ccccc3)[C@H](C)[C@H]12 653842117 KLLZIFXJYAFQPU-HBJVGIJOSA-N 347.436 2.116 0 1 EEAF Cc1ccc2c3c(cc(CC[C@H](N)C(N)=O)nc13)-c1ccccc1C2=O 587096943 FJRMSRFJSKFMTL-KRWDZBQOSA-N 345.402 2.500 0 1 EEAF CS(=O)(=O)Nc1ccccc1Cc1nc2cccc(C(=O)O)c2[nH]1 586948426 GFBOBJKVDPXAPL-UHFFFAOYSA-N 345.380 2.223 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(=O)C(=O)O)(c1ccccc1)O2 587409451 UPTDRIOUWFIVRI-LJQANCHMSA-N 339.347 2.482 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COCC(=O)C2)N1 587837035 YXARWWQUYBIGLW-RTHLEPHNSA-N 328.181 2.307 0 1 EEAF Nc1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1C(=O)O 587248189 HOHJDLXGWFWILS-UHFFFAOYSA-N 334.133 2.014 0 1 EEAF CC(=O)N[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580595 SMIDWNNCSCMMHW-MDZRGWNJSA-N 339.347 2.391 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)N(C)C)N1 587741683 OJYLXCYLQGMHTM-XLKFXECMSA-N 329.213 2.426 0 1 EEAF Cc1ccc2nc3c(=O)n(CC(=O)NCc4ccco4)[nH]cc-3c2c1 103815706 HQSVNUGKCYDPRR-UHFFFAOYSA-N 336.351 2.047 0 3 EEAF CN1[C@H](c2csc(-c3ccc(N)cc3O)n2)SC[C@H]1C(=O)O 103234747 LRBYKLSFZOYSFO-GWCFXTLKSA-N 337.426 2.228 0 1 EEAF CC[C@]12CCCN(CC[C@]3(O)C(=O)Nc4ccccc43)[C@@H]1OCC2 2356690639 FQCHUCFOOQKMIL-GUDVDZBRSA-N 330.428 2.455 0 1 EEAF CC[C@@H]1C[C@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40411741 BQIUAFQWKFLQPF-YPMHNXCESA-N 338.795 2.047 0 1 EEAF COc1cc(-c2cc(=O)n3ncc(-c4ccnn4C)c3[nH]2)ccc1F 143066620 BQWVTKPCISMTTI-UHFFFAOYSA-N 339.330 2.238 0 1 EEAF COc1cncc(-c2cccc(C3=N[C@@H]4C(C(N)=O)=CC=C[C@@H]4O3)c2)c1 96916074 LGKFXIVQPPUYCN-ZWKOTPCHSA-N 347.374 2.253 0 1 EEAF COc1ccc(CCN2[C@H]3[C@@H]4[C@H]5C[C@H]6[C@@H]7[C@@H]5[C@@H]3[C@@H]7[C@@]2(O)[C@H]64)cc1OC 261129315 KULMFBVVFDTVNX-OPVKOOSHSA-N 339.435 2.007 0 1 EEAF N#CN1CC[C@H](C(=O)Nc2ccc(I)cc2)C1 621485851 PFSKIEWHASIZBO-VIFPVBQESA-N 341.152 2.033 0 1 EEAF C[C@]12CC[C@@H]3[C@H](CC[C@]45O[C@H]4C(O)=C(C(N)=O)C[C@]35C)[C@H]1CC[C@@H]2O 299804929 RSGSNGFUKZTCGU-FCYHTHSVSA-N 347.455 2.429 0 1 EEAF CC(C)(C)OC(=O)NC[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962896340 MEQFJKMCVDJYRX-SUMWQHHRSA-N 338.379 2.165 0 1 EEAF Cc1nonc1[C@@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972132 UBXXKTSCPAUFSK-OTYXRUKQSA-N 343.717 2.172 0 1 EEAF CC=C[C@@H]1Oc2ccc(OC)cc2N2C(=O)[C@H](C)[C@@H](OCOC)[C@H]12 1857623273 BSKPAPARTCMSGM-PWBULWKKSA-N 333.384 2.373 0 1 EEAF C[C@H]1C[C@H](C)CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C1 4033623 RVBVWVSLJMZNRO-STQMWFEESA-N 331.391 2.206 0 3 EEAF CC[C@H]1[C@@H](O)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 27423042 QKPZPCLTOCTUOP-BBRMVZONSA-N 346.358 2.133 0 1 EEAF CO[C@H]1CC(=O)N[C@H]2CC[C@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@H]4C(N)=O)[C@@]21C 26390086 AXHBIEPEDODFJJ-AWDHIBDBSA-N 348.487 2.234 0 1 EEAF CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C 28250152 BKZJUXQQYKNDDO-CYBMUJFWSA-N 337.851 2.383 0 1 EEAF O=C(O)[C@H](Cc1cccc(-c2ccccc2)c1)NCP(=O)(O)O 29307612 PNYOBMQZMAVTGO-HNNXBMFYSA-N 335.296 2.074 0 1 EEAF Cc1ccccc1NS(=O)(=O)c1ccc(N2CCNC2=O)cc1 73139949 KGFQYGFVTMWOBM-UHFFFAOYSA-N 331.397 2.325 0 1 EEAF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@@H](O)c1ccc(O)cc1 238769595 UNGLKYLAUBUKBF-KKXDTOCCSA-N 342.347 2.186 0 1 EEAF C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)CC)N(C(=O)CC)[C@H]2CO)cc1 95895380 GTUJJNILEQVMPG-KHJNXRLCSA-N 344.455 2.311 0 1 EEAF CCC(CC)C(=O)N[C@@H]1CCN2C(=O)c3ccccc3NC(=O)[C@@H]2C1 33625574 KARXJSGJOWZHAT-CJNGLKHVSA-N 343.427 2.164 0 1 EEAF biogenic CSC(=S)N1CCN(C(=S)SC(=S)N(C)C)CC1 1857747822 UPUVCDATLYXHOG-UHFFFAOYSA-N 339.602 2.117 0 1 EEAF COc1cc(C[C@@H](CO)Oc2ccc(CCCO)cc2O)ccc1O 14438052 PGLMLQXSCSFXOP-HNNXBMFYSA-N 348.395 2.014 0 1 EEAF biogenic Cc1cccc(C(=O)Oc2ccc(C[C@H]3NC(=S)NC3=O)cc2)c1 103199763 HPWZRYKXWFIOMC-OAHLLOKOSA-N 340.404 2.130 0 1 EEAF CN(Cc1cccc2ccccc12)c1cnc2nc(N)nc(N)c2n1 29224058 JQNATZCLTNLZMI-UHFFFAOYSA-N 331.383 2.374 0 1 EEAF COC(=O)[C@@]1(O)c2ccccc2[C@@]2(C)CC=C[C@@](C)(C(=O)OC)[C@H]21 2356694726 DYTMETPHCBJJLH-JEDBISTDSA-N 330.380 2.074 0 1 EEAF C[C@H](O)CCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21 38142853 KAXXDTVCCUQTMA-ZDUSSCGKSA-N 336.395 2.499 0 1 EEAF Cc1cccc(NC(=O)CN2CCC(c3cccc[n+]3[O-])CC2)c1 35075419 NJHQEWHCSIFEMP-UHFFFAOYSA-N 325.412 2.447 0 1 EEAF CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]1Cc1ccccc1 13429865 YZUOZVNKLNYNTM-RTBURBONSA-N 347.418 2.279 0 1 EEAF biogenic CC[C@@H](C)[C@@H]1C[C@H]([C@H](C)CC)C=C1[C@H](O)C[C@H](O)[C@@H](O)C(=O)O 238744413 RKOUCPMGBBKLNK-YHHXLTPFSA-N 328.449 2.199 0 1 EEAF NC(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586913614 RFYVKTLZUOXHAS-UHFFFAOYSA-N 337.379 2.464 0 1 EEAF COc1ccc([C@@H](O)[C@H](C)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 587936742 LWFVUMDLOKMCEF-CPCISQLKSA-N 333.779 2.216 0 1 EEAF CCOC(=O)[C@H]1CN(CC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587396425 SENAKXCJCHMSPU-AUUYWEPGSA-N 346.427 2.186 0 1 EEAF Nc1ncc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2n1 587133669 YQOJGHGTUNXXBK-UHFFFAOYSA-N 326.118 2.612 0 1 EEAF CC(=O)[C@@H]1C(=O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 888075787 TZCOBUQKVNFIQF-YVVXQTMVSA-N 336.391 2.201 0 1 EEAF N=C(N)Nc1cccc(C(=O)Nc2ccc([C@H]3C[C@@H]3C(=O)O)cc2)c1 13911343 FOYRFLMZVXPASD-CABCVRRESA-N 338.367 2.432 0 1 EEAF C[C@]12CCC[C@]3(C)C1=C(C[C@@H]1C[C@H]4C[C@@]13[C@H](O)C[C@@]4(O)CO)OC2 2356324267 IFKUIJZGXPLIFR-CUMBZNQPSA-N 334.456 2.372 0 1 EEAF COC(=O)c1cc2c(cn1)[C@@]13C[C@@H](OC)CC=C1CCN3CCC2 2356434056 CESLPEVVJXRVQA-HNAYVOBHSA-N 328.412 2.451 0 1 EEAF O=C1C[C@@H](Sc2ccccc2)C2(OCCO2)[C@H]2ON3CCC[C@@H]3[C@@H]12 6040877 SDRYWBREBZUFOO-SIXLDLHFSA-N 347.436 2.258 0 1 EEAF COc1cccc(N(CC(=O)O)C(=O)[C@@H](C)CSC(C)=O)c1 27732309 WNBTXZFHTRRRBT-JTQLQIEISA-N 325.386 2.029 0 1 EEAF Cc1ccccc1-c1noc(-c2ccc(N3CCNC(=O)CC3)nc2)n1 39357048 UJUGDSDJOUZACH-UHFFFAOYSA-N 349.394 2.433 0 1 EEAF C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@](O)(CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O 238783245 UBZGBVBKCSWHNF-NOUWKJTISA-N 344.363 2.431 0 1 EEAF COc1ccc([C@@H]2Sc3ccccc3N(CCO)C(=O)[C@@H]2O)cc1 28221682 KGGGMORTSFTLQR-SJORKVTESA-N 345.420 2.228 0 1 EEAF biogenic C=CS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)c(F)c2)CC1 618020261 SJERCALGGFMZGV-UHFFFAOYSA-N 338.326 2.440 0 1 EEAF C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O 653723647 WSRQDGKCDIHPPB-JXOFSHAESA-N 348.439 2.305 0 1 EEAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)O)cc1 587655181 VKAZSBLCMWTJQQ-UHFFFAOYSA-N 336.756 2.286 0 1 EEAF COC(=O)c1cc(Br)c2[nH]c([C@H](N)[C@@H](C)F)nc2c1 587123395 IXGKUJRVROINGS-MLUIRONXSA-N 330.157 2.470 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(N)=O)c1)[C@@H](C2)C3=O 587432928 NPTIBRGQXNAVNK-LIRRHRJNSA-N 339.347 2.048 0 1 EEAF COc1ccc(N2C[C@H](CN)[C@@H](c3cc(F)ccc3F)CC2=O)cn1 169312407 NKEXHLNBBIIVHY-FZMZJTMJSA-N 347.365 2.464 0 1 EEAF CCOC(=O)C1=C(C)OC(=N)[C@H](C(=O)OCC)[C@@H]1c1cccnc1 169686739 GLGBBLMHGAIPNM-ZIAGYGMSSA-N 332.356 2.189 0 1 EEAF CC(=O)OC/C=C\C=C(/COC(C)=O)COC(=O)c1ccccc1 1857584338 XLZIKASVIYLNEB-VZNCOVNJSA-N 332.352 2.452 0 1 EEAF CCCN(CCOC)c1ccc2[nH]c(=O)c(CCSC)nc2n1 2497989 DDHPSSJQSPEYJN-UHFFFAOYSA-N 336.461 2.086 0 1 EEAF CC(C)N1CCC(Oc2ccc(C3=NNC(=O)[C@@H]4C[C@H]34)cc2)CC1 103260402 ODCFXBPEVBNSRH-DLBZAZTESA-N 327.428 2.408 0 1 EEAF C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C[C@H](C)N1 103284846 NCKOHVXJFRVSMV-RYUDHWBXSA-N 341.411 2.221 0 1 EEAF CC[C@@]12CCCN3CCC(=O)c4ccccc4N(C(=O)[C@H]31)[C@@H](O)C2 2356561143 QUTCWFPVUVMVTM-LNLFQRSKSA-N 328.412 2.189 0 1 EEAF CC(C)[C@H](O)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26004673 WVTFOPNSTSYIHT-KBPBESRZSA-N 330.215 2.490 0 1 EEAF CCC[C@@H](CC1(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)CCCC1)C(=O)O 34803419 QESHLPVSQRLPLL-MELADBBJSA-N 338.448 2.208 0 1 EEAF O=C(NCC1CC1)[C@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61908917 NMPQYRIZEHNLGJ-QGZVFWFLSA-N 338.363 2.307 0 3 EEAF CC1(C)Oc2cc(OC(=O)c3cc(O)cc(O)c3)ccc2C[C@@H]1O 72175326 YOXVCHYRSQODQY-INIZCTEOSA-N 330.336 2.391 0 1 EEAF COc1ccc(CCn2nnn[n+]2-c2ccc(C(C)(C)C)cc2)cc1 40764203 WWJAQYFQMKQEPW-UHFFFAOYSA-N 338.435 2.499 0 1 EEAF c1cc2oc(N3CCN4CCC3CC4)nc2nc1N1CCCCC1 45374626 HBDDFXLYKUDJNH-UHFFFAOYSA-N 327.432 2.498 0 1 EEAF CCc1cnc(-c2cnn3c(=O)cc(-c4ccc5[nH]nnc5c4)[nH]c23)o1 142904312 IWUBMIQPIBNVKX-UHFFFAOYSA-N 347.338 2.178 0 1 EEAF CN(C)C(=O)Oc1ccc(-c2cn3c(=NC=O)cccc3n2C)cc1 377819936 CRBCYWRXPNLTSR-UHFFFAOYSA-N 338.367 2.062 0 1 EEAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587236329 URJYNAHWZLICPT-PHDIDXHHSA-N 334.248 2.462 0 1 EEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(F)c(F)c(F)c2[nH]1 587202017 ALVWCXYPERHIDD-SECBINFHSA-N 342.321 2.059 0 1 EEAF O=C(O)/C=C/C=C/c1nc2ncc(I)cc2[nH]1 587969086 PWTZUVKFRBWEJX-ZPUQHVIOSA-N 341.108 2.217 0 1 EEAF Oc1nc(O)c2nc(-c3ccnc(Br)c3Cl)[nH]c2n1 587007840 SUFVJVLNWCDDQM-UHFFFAOYSA-N 342.540 2.242 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N)nc2)N1 587742804 BAEMYDSSZKKWCM-FUXBKTLASA-N 337.196 2.584 0 1 EEAF CN(Cc1ccc(F)cc1)c1cc(C(=O)Nc2ccn(C)n2)ncn1 1772583480 OXZIBOWIPLWEHN-UHFFFAOYSA-N 340.362 2.238 0 1 EEAF CCCn1c(=O)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2n(CCC)c1=O 12405417 LMZOGRHOEMOQIR-YNEHKIRRSA-N 328.416 2.386 0 1 EEAF CC(C)=CC(=O)OC[C@](C)(O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 13334903 RPHYICPLIPKTPR-APWZRJJASA-N 344.363 2.357 0 1 EEAF biogenic O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1ccccc1Cl 169300488 ATWGPAAGZWQRJW-RSSMSPSSSA-N 342.782 2.038 0 1 EEAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N[C@@H](CO)[C@H](C)CC 2468415 VQKYQBBROCBSSB-FRIZHTMISA-N 348.443 2.349 0 1 EEAF O=C(O[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccn1)c1cccs1 4092782 IQDXDWHHAFOTHQ-IUODEOHRSA-N 346.408 2.336 0 3 EEAF OC1CCN(Cc2cn(-c3ccnc4cc(Cl)ccc34)nn2)CC1 103270092 RXYUYKIYNMSONO-UHFFFAOYSA-N 343.818 2.426 0 1 EEAF C[C@]1(O)CC[C@@]23C[C@H]1[C@H](O)C2=CC[C@@H]1[C@](C)(CO)[C@@H](O)CC[C@]13C 2356428301 GHVFAOYRFNOZIJ-YRXIJJJESA-N 336.472 2.004 0 1 EEAF COc1cccc2c1C(=O)c1ccc3c(c1[C@@H]2O)C(=O)C[C@@](C)(O)C3 2356431001 YRKOFHPWOUTOGA-UXHICEINSA-N 338.359 2.201 0 1 EEAF CNCc1cc(-c2cccnc2C)n(S(=O)(=O)c2cccnc2)c1 115730650 MWBUPPOEMAMSLH-UHFFFAOYSA-N 342.424 2.210 0 1 EEAF COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccncc2)cc1 69060949 OVUJJFZBRFPRBB-MRXNPFEDSA-N 338.367 2.357 0 1 EEAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)CCN2 82204738 SDOKKTHWRPPPJN-UHFFFAOYSA-N 346.406 2.081 0 1 EEAF COc1ccc(C(=O)[C@H]2CCCN(c3nccc(N)n3)C2)c(C)c1 91425109 UEEAQYRQXIOSLK-ZDUSSCGKSA-N 326.400 2.475 0 1 EEAF CC(C)NC(=O)N(C)C[C@@H]1Oc2ccccc2CC(=O)N(C)C[C@@H]1C 95661510 TVFIGDKMDDMYKO-YOEHRIQHSA-N 347.459 2.134 0 1 EEAF C[C@H](O)[C@H]1CC(=O)[C@@H]2[C@H]3[C@@H](O)CC4=C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255250561 OASBCMLUEZFXHQ-JKRFTEJKSA-N 348.483 2.457 0 1 EEAF Cc1cccc(CN2CC[C@@H]3CO[C@H](CNC(=O)N(C)C)[C@@H]3C2)c1 299843694 WPEIESAPDAIJKK-KZNAEPCWSA-N 331.460 2.103 0 1 EEAF Cc1ccc2c(c1)NCc1cn(-c3ccc(S(N)(=O)=O)cc3)nc1-2 653688012 PVVGDCFBUHYVLG-UHFFFAOYSA-N 340.408 2.421 0 1 EEAF CCOc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1 587559958 QSLPUEMYPLWDGG-UHFFFAOYSA-N 341.323 2.129 0 1 EEAF COC(=O)c1cc(Br)c2[nH]c(CC3CC(N)C3)nc2c1 587255574 QVVQITPQBNUQIC-UHFFFAOYSA-N 338.205 2.392 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(N)=O)cc1)O2 587388534 DISWFYDOFOSPHI-INIZCTEOSA-N 326.352 2.148 0 1 EEAF CCOc1ccc(O)n1-c1cc(C(=O)O)ncc1Br 587940569 PZNGUJKNOOKKJT-UHFFFAOYSA-N 327.134 2.437 0 1 EEAF COc1cc2c(cc1OC)[C@@H](C(=O)NC(C)C)[C@H]1CCCCN1C2=O 5033965 YYTKSKISDNZTOL-RHSMWYFYSA-N 346.427 2.320 0 3 EEAF Cc1ccc([C@@H](C)CCN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)o1 11789160 FVKQIJFXYSHKLS-KPZWWZAWSA-N 333.432 2.392 0 1 EEAF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2O)cc1O 169307679 BFSNTMJJTHEVNY-UHFFFAOYSA-N 334.324 2.363 0 1 EEAF CSc1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4564546 HYHXJTDNEZXOGE-OJXGSEEGSA-N 342.420 2.154 0 1 EEAF COCCNC(=O)[C@@]1(CC(C)C)C=CCN1C(=O)c1ccccc1 7992716 UTNFULQGVRQPIO-IBGZPJMESA-N 330.428 2.246 0 1 EEAF CCOC(=O)C(=O)Nc1nc(-c2cc(Br)no2)cs1 27656135 UFBREJLKCRZFTD-UHFFFAOYSA-N 346.162 2.062 0 1 EEAF CCOC(=O)c1cccc(Nc2nc(N)n(C(=O)c3ccco3)n2)c1 64560180 DKLCJNSLAHTVMY-UHFFFAOYSA-N 341.327 2.062 0 1 EEAF O=C1NC[C@H](c2ccc(F)cc2)Cc2[nH]c(CCN3CCCC3)nc21 65488195 ZGPBIBXUMKMZBN-CQSZACIVSA-N 342.418 2.257 0 1 EEAF Cn1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cn1 63540050 ZKLJKKASNXVQBZ-UHFFFAOYSA-N 343.778 2.450 0 1 EEAF CCO[C@@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272137 BIXQYNLPUJEWLA-CQSZACIVSA-N 338.795 2.455 0 1 EEAF COc1ccc2sc(NC3=NC[C@@]4(CN5CCC4CC5)N3)nc2c1 210852171 RDSAZNGIGOGIEO-KRWDZBQOSA-N 343.456 2.140 0 1 EEAF C[C@H]1c2c[nH]nc2-c2cc(F)ccc2N1S(=O)(=O)c1cn(C)cn1 45320218 LUBMYQCZSBEKRB-VIFPVBQESA-N 347.375 2.219 0 1 EEAF OCCc1ccc(Nc2nccc(-c3nnc4ccccn34)n2)cc1 45194559 LOFURYWJDOAONN-UHFFFAOYSA-N 332.367 2.465 0 1 EEAF COC(=O)[C@@H](N)CCC(=O)Nc1cccc(OCc2ccccc2)c1 40402397 HKTDTEZFAUDEON-KRWDZBQOSA-N 342.395 2.485 0 1 EEAF C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 238768718 NOYMQHDGCKKLAF-GZZXEUMKSA-N 338.488 2.086 0 1 EEAF Cn1cc(-c2[nH]c3c(C(=O)O)cccc3c2N2CCOCC2)cn1 587639102 MWWYJOGBJZNOTN-UHFFFAOYSA-N 326.356 2.103 0 1 EEAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cncnc4[nH]3)cc12 587036977 BZBLJEHAJIFFKR-MRVPVSSYSA-N 341.400 2.101 0 1 EEAF CCCCN1CCC(CNC(=O)c2ccc(N)c3[nH]cnc23)CC1 13491761 KBDQHAYPKLRVNT-UHFFFAOYSA-N 329.448 2.387 0 1 EEAF CCc1c(-c2ccc(N(C)C)cc2OC)[nH]c(=O)c(C(=O)O)c1O 206163865 RIKWRRRDTWSMLD-UHFFFAOYSA-N 332.356 2.083 0 1 EEAF CCc1c(O)c(=O)ccn1Cc1cc2ccc(OC)cc2oc1=O 1857551393 DWDKAKUPBCJCJP-UHFFFAOYSA-N 327.336 2.280 0 1 EEAF CNC[C@@H](O)CN1CCc2c(cccc2OCc2ccccc2F)C1 1857591833 TVVBPKCDOXMKJS-QGZVFWFLSA-N 344.430 2.343 0 1 EEAF NCCCCN(Cc1nccs1)C[C@H]1Cc2ccccc2CN1 1857761436 ZQHOKHZODTUMSC-QGZVFWFLSA-N 330.501 2.399 0 1 EEAF CC(C)CCCCCCCOC(=O)C[C@H](C(=O)O)S(=O)(=O)O 38654798 RHHCQDXPRDOJNA-GFCCVEGCSA-N 338.422 2.257 0 1 EEAF COCCCc1ccc(C[C@@H]2C=C(C)[C@H](O)C[C@@H]2[C@@](C)(O)CO)cc1 2356354441 JOGIUBBUBJODJZ-BURNTYAHSA-N 348.483 2.495 0 1 EEAF O=C(Cn1ncc2ccsc2c1=O)NCc1ccccc1Cl 6804616 VUKXGTYYUAHXKP-UHFFFAOYSA-N 333.800 2.428 0 1 EEAF COc1cccc(CCc2n[nH]c(=O)n2-c2ccccc2OC)c1 103175016 FYWQNPCQXSIMNZ-UHFFFAOYSA-N 325.368 2.363 0 1 EEAF CN1C(=O)[C@@H](C(=O)Nc2ccccn2)[C@H]2C[C@@]1(C)Oc1ccccc12 102952247 FBASSRSUKFUAQB-URKNILKWSA-N 337.379 2.391 0 1 EEAF OCC[C@H]1CN(Cc2ccon2)CCN1Cc1ccc(F)c(F)c1 22853551 SBFMJNQBFFXTPN-HNNXBMFYSA-N 337.370 2.022 0 3 EEAF Fc1ccc2nc(CO[C@@H]3CN(C4CCOCC4)C[C@@H]3F)[nH]c2c1 2356314595 WVNWZDUUDWOMEF-XJKSGUPXSA-N 337.370 2.420 0 1 EEAF Cc1noc(C)c1Cn1cc(NC(=O)[C@@H](CO)c2ccccc2)cn1 115730778 LINAEBHNERFHOZ-KRWDZBQOSA-N 340.383 2.251 0 1 EEAF CCCc1c(OCCC[S@@](=O)CC(=O)O)ccc(C(C)=O)c1O 27900159 JJDGRQVNMQTYJP-QHCPKHFHSA-N 342.413 2.150 0 1 EEAF C[C@@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)NC1CCOCC1 2356481964 CMGQETHPCBXDKO-SNVBAGLBSA-N 334.347 2.443 0 1 EEAF CC(=CCOc1ccc2ccc(=O)oc2c1)[C@H](O)[C@H]1C[C@H](C)C(=O)O1 2356549044 PAARGKWPJAUKIO-XZOAIXRZSA-N 344.363 2.431 0 1 EEAF CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(CO)cc3)n2n1 40424562 WEPYENACHWSGDO-OAHLLOKOSA-N 326.400 2.317 0 1 EEAF C[C@]12CC[C@H]3C(=C[C@H]4OC(=O)[C@@]5(C)[C@H](O)CC[C@@]3(C)[C@@H]45)[C@H]1OC(=O)C2 238787196 UCWXMZOVKYMIMO-OEGUXCJFSA-N 346.423 2.367 0 1 EEAF COc1cc2c(cc1O)C[C@H]1c3c(cc4c(c3-2)OCO4)[C@@H](O)CN1C 95099642 XJZFSXZXIKJSHY-JSGCOSHPSA-N 341.363 2.373 0 1 EEAF biogenic,in-vitro COC(=O)/C(=C/N(C)C)[C@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1 587387102 NCSIIGQITZOFTL-LMICACPXSA-N 344.411 2.310 0 1 EEAF O=C(Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)OCc1ccccc1 587782193 IBCQFWKKEMJJPM-UHFFFAOYSA-N 346.364 2.096 0 1 EEAF CN(Cc1ccccc1)c1nc2nonc2nc1N1CCCCO1 12579146 GQLWFYGFBVUTIG-UHFFFAOYSA-N 326.360 2.181 0 1 EEAF CN1CCC(C(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1 13489660 DSHMUQCEERJXOA-UHFFFAOYSA-N 336.399 2.300 0 1 EEAF CNc1cc(S(=O)(=O)c2ccc(N)cc2)cc(Br)n1 13494008 VQGXDKWYDBXYNK-UHFFFAOYSA-N 342.218 2.301 0 1 EEAF COc1n[nH]c2cc(NC(=O)N[C@H](CO)c3ccccc3)nc(C)c12 209402724 KKAYOGTUHRSFSE-CYBMUJFWSA-N 341.371 2.130 0 1 EEAF COc1ccccc1CCn1cnc2sc3c(c2c1=O)CCNC3 35533745 SCQLZMHJRMJNFG-UHFFFAOYSA-N 341.436 2.355 0 1 EEAF CC[C@@H](C)NC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 6795977 OBSTZPXCSIZYFA-CXAGYDPISA-N 339.395 2.463 0 1 EEAF COc1ccc(NS(=O)(=O)c2ccc3c(ccn3C)c2)c(OC)n1 28702607 NZOQJUFNKSEFAQ-UHFFFAOYSA-N 347.396 2.391 0 1 EEAF O[C@@H](CCN1CCN(c2ccccn2)CC1)COc1ccc(F)cc1 29479957 YYJPRPPXJDRVDG-KRWDZBQOSA-N 345.418 2.173 0 1 EEAF COCCNC(=O)c1cc(-c2ccccc2)nn1Cc1cc(C)no1 61959694 LGSQLIGDMWZGHR-UHFFFAOYSA-N 340.383 2.271 0 3 EEAF CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1cccc(OC(C)=O)c1C 61906637 UYTDSYKGURHRBU-LJQANCHMSA-N 346.427 2.441 0 3 EEAF CN1C(=N)N[C@@](c2ccccc2)(c2ccc(OCCF)cc2)C1=O 64527824 WKKSAUFKGYEBTL-SFHVURJKSA-N 327.359 2.275 0 1 EEAF COc1cccc(NC(=S)N2CCO[C@@H](C3=CCCN(C)C3)C2)c1 40879911 KDZOZIJJZTVFLL-QGZVFWFLSA-N 347.484 2.355 0 1 EEAF O=C(NCCO)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143270596 PXAXXXNJLZLPTN-INIZCTEOSA-N 337.297 2.187 0 1 EEAF CC(=O)[C@H]1CC[C@@H]2C3=CCC4=C[C@@H](O)[C@H](O)C[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 255245960 NKARAGRVHGKUSJ-XGFHXOJWSA-N 346.467 2.377 0 1 EEAF O=C(O)Cn1c(=O)c(Oc2ccc(O)cc2)nc2cc(F)ccc21 473084950 UYDZDHSCZCNUHW-UHFFFAOYSA-N 330.271 2.118 0 1 EEAF Cc1cc(Br)c2[nH]c(C3[C@H](C(=O)O)[C@H]3C(=O)O)nc2c1 587970559 KIWDARHHIFEJKQ-IUCAKERBSA-N 339.145 2.133 0 1 EEAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](C)N(C)C)[nH]c2c1 587189243 AHRPZVXQTKXUAY-LBPRGKRZSA-N 338.477 2.086 0 1 EEAF Oc1cc(O)nc(SCc2nc3c(F)cnc(Cl)c3[nH]2)n1 586966793 NMKZLELJOJGBSR-UHFFFAOYSA-N 327.728 2.244 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(C=C(C)OC=C1OCC(=O)O)[C@@H](C2)C3=O 587456773 YACIZSQUZFJYCP-SGTLLEGYSA-N 344.319 2.058 0 1 EEAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(O)nc(N)nc2[nH]1 587235503 OXWBASVFLPFTOL-RKDXNWHRSA-N 348.407 2.192 0 1 EEAF Cc1cccc(C)c1OCc1cc(C(=O)NC[C@@H]2COCCO2)no1 12315584 FFNGXQOSCFVNBU-OAHLLOKOSA-N 346.383 2.016 0 3 EEAF C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(C(=O)c2ccccc2)s1 13646056 GKIGXHODLMXNLK-SNVBAGLBSA-N 337.422 2.158 0 1 EEAF COc1cccc([C@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@H]32)c1OC 1857590459 PYSZPPLIRBHCRY-UONOGXRCSA-N 327.340 2.126 0 1 EEAF Cc1cc(Cl)cc(CNC(=O)Nc2ccc3c(c2)B(O)OC3)c1 1857744368 ZQVWAERNZDQQOS-UHFFFAOYSA-N 330.580 2.188 0 1 EEAF COc1cc(C[C@H]2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC 23464 CEJLKULOOMMHNK-SNVBAGLBSA-N 344.415 2.014 0 1 EEAF CC(=CC(=O)O[C@@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C)CO 2356381056 ZANSSGQMUOIRJB-MRXNPFEDSA-N 344.363 2.357 0 1 EEAF O=C(Cn1ncc2c3ccccc3nc-2c1O)Nc1nccs1 103535878 KXTGFMOSPDGORU-UHFFFAOYSA-N 325.353 2.337 0 1 EEAF CS(=O)(=O)[C@H]1C[C@H]2c3ncccc3C[C@H]1N2Cc1ccccc1 1911581691 VWYICRJWYDQBRB-IKGGRYGDSA-N 328.437 2.367 0 1 EEAF Cc1csc(NS(=O)(=O)c2ccc(F)cc2F)c1C(N)=O 26579746 XSYWAEYYKNYRJZ-UHFFFAOYSA-N 332.353 2.234 0 1 EEAF C[C@H](O)CCCCC[C@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@@H](O)O1 2356719439 YULTUTUKMKNZHP-NSTVUXKKSA-N 340.372 2.060 0 1 EEAF COc1ccc2c(c1O)[C@@]13CCN(C)[C@H](C2)[C@@H]1CCC1(C3)OCCO1 195486820 JTYRAFPUZSECSU-QMTMVMCOSA-N 345.439 2.442 0 1 EEAF Cc1ccc(N2CCO[C@H]3CN(Cc4ccc(F)cc4)C[C@H]32)nn1 96081769 UUCCWHLSRKZBKO-SJORKVTESA-N 328.391 2.014 0 1 EEAF C=CCN(C)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)N(C)Cc2ccccc2)O1 30878598 ZHTXQABDTNBAGM-FHWLQOOXSA-N 346.471 2.061 0 1 EEAF biogenic COC(=O)CN1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCO2 473131817 PIUKNEXPHWYYNS-KRWDZBQOSA-N 340.335 2.155 0 1 EEAF CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1Cl 587065723 XYSLSHSLDYOURU-UHFFFAOYSA-N 342.764 2.252 0 1 EEAF Cc1c(O)ccc2c1[C@](C)(C1(Br)CC1)N[C@H](C(=O)O)C2 963529312 WYOYWBNZKWHTNJ-IINYFYTJSA-N 340.217 2.442 0 1 EEAF CC1(C)[C@@H]2OCC[C@H]2[C@@]12c1c3c(cc4c1OCCO4)CC(=O)N2CC3 963269948 NAKGXZSZKKHKIF-CFSSXQINSA-N 341.407 2.039 0 1 EEAF COc1cc2c(cc1[C@H]1COc3cc(O)cc(O)c3C1=O)OCO2 14645838 MNXNLFUKHPLPES-SNVBAGLBSA-N 330.292 2.194 0 1 EEAF endogenous,in-man CCOC(=O)CCCCn1nc(C)c(-c2nc[nH]c3nccc2-3)n1 1857555525 NFNXASNVZXHPQP-UHFFFAOYSA-N 328.376 2.210 0 1 EEAF COc1ccc(CCNC(=O)C(=O)Nc2ccc(OC)c(C)c2)cc1 124461651 ZHISWOZRPRBLKQ-UHFFFAOYSA-N 342.395 2.310 0 1 EEAF C[C@H](NS(C)(=O)=O)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356725018 GUOFWKLUORKYFF-ZETCQYMHSA-N 344.776 2.303 0 1 EEAF COc1cc(C=CC(=O)N(C)C[C@H](O)c2ccc(O)cc2)ccc1O 2356797836 OMVMCDNNZUWLJK-KRWDZBQOSA-N 343.379 2.312 0 1 EEAF CCCNC(=O)[C@]1(C)CCCN(C(=O)c2cc(C(C)(C)C)nn2C)C1 61907026 MDNBPGPNAHVYHG-LJQANCHMSA-N 348.491 2.486 0 3 EEAF COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@@H](OC(C)=O)C2=O 14728245 MXFVIYRBYOWKKJ-ROUUACIJSA-N 344.319 2.355 0 1 EEAF biogenic O=C(O)c1cccc(OC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)c1 45392561 NDWRWCHFQVKWRB-INIZCTEOSA-N 339.347 2.339 0 1 EEAF C[C@]1(C(=O)NCc2ccccc2)CSCC(=O)N1Cc1ccco1 199230789 XZYZSSCJGMGTHS-GOSISDBHSA-N 344.436 2.430 0 3 EEAF CN1CC(C(=O)NCCCc2ccccc2C(F)(F)F)=C(O)C1=O 141981810 LQFVWYSAGPICNX-UHFFFAOYSA-N 342.317 2.038 0 1 EEAF Nc1ncncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576820 PUUUJNZMDBUBFV-WMLDXEAASA-N 335.319 2.467 0 1 EEAF CC(=O)c1cccc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)n1 963472295 PVFDZANXKREYRW-KXBFYZLASA-N 340.379 2.161 0 1 EEAF CC(C)[C@@H](CN1CCCCC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1772623802 YSRHQRAULKOLQH-RTBURBONSA-N 345.487 2.033 0 1 EEAF C[C@]12CC[C@H](O)[C@@](C)(CO)[C@@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO 5496088 NOFOAYPPHIUXJR-RGJFDMQWSA-N 338.488 2.086 0 1 EEAF CCOC(=O)CCCCn1cnc2cc(OC)c(OC)cc2c1=O 13800960 DNOUCXLPAGPFAB-UHFFFAOYSA-N 334.372 2.147 0 1 EEAF Cn1c(CO[C@@H]2CN(Cc3ncc[nH]3)C[C@@H]2F)nc2ccccc21 2356302352 SMBZESRYYBNCOX-SWLSCSKDSA-N 329.379 2.036 0 1 EEAF CC=C1CN2[C@H]3C[C@@H]1[C@H]1C(=O)[C@@]4(C[C@@H]12)c1cccc(OC)c1N(C)[C@H]34 2356378096 WCCNKCFWOIBUOQ-ABAJYUQQSA-N 336.435 2.373 0 1 EEAF CCNC(=O)[C@]1(C)CCCN(C(=O)c2cc(C)nn2C(C)(C)C)C1 61925918 VNKKIGHQJLJGMX-GOSISDBHSA-N 334.464 2.325 0 3 EEAF CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1CC=C(CO)[C@@H]2CCC(=CCO)CO 2356463642 HSBZCMPCYVPQSX-CGBFIWBNSA-N 338.488 2.420 0 1 EEAF CC(=O)O[C@H]1C[C@H]2C[C@H](OC(=O)C=Cc3ccccc3)C[C@H]1N2C 2356681336 QKTXQEDBXGTOFH-XDNAFOTISA-N 329.396 2.410 0 1 EEAF CCOC(=O)[C@H](C)n1ccc(=O)c2c1ncn2Cc1ccccc1 49807733 NBHDAUZAOJEEGV-ZDUSSCGKSA-N 325.368 2.370 0 1 EEAF O=C(NC(=S)NNc1ncnc2ccccc12)c1ccccc1F 84653481 JDGUMDZJIGRQPA-UHFFFAOYSA-N 341.371 2.400 0 1 EEAF Cc1ccc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc1 95588571 VBLBDLAOCVYISM-UHFFFAOYSA-N 347.513 2.058 0 1 EEAF COC(=O)c1ccc(CN[C@H]2COC[C@@H]2Cc2cc(C)no2)cc1 299843683 WJKVFSXPCPNMGS-RDJZCZTQSA-N 330.384 2.117 0 1 EEAF O=C(O)CSCC(=O)Nc1ccc(-c2nc3cccnc3[nH]2)cc1 299831569 DZEOFTATUHWECW-UHFFFAOYSA-N 342.380 2.381 0 1 EEAF CNS(=O)(=O)c1cc(-c2nc3c(C)c(Cl)ccc3[nH]2)n(C)c1 586947572 SXOZVGBKVWRKTJ-UHFFFAOYSA-N 338.820 2.438 0 1 EEAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(F)c(F)c(F)c3[nH]2)c1 587259723 HSZRCNJRXSNLAX-JTQLQIEISA-N 334.301 2.322 0 1 EEAF CCOC(=O)[C@H]1C[C@@H](C(C)C)Cc2cc3c(O)nc(O)nc3nc21 587559555 KLOMRNIYGCFPRJ-ONGXEEELSA-N 331.372 2.301 0 1 EEAF CCOC(=O)C[C@@H](C[C@@]1(C)NCCc2c(C)ccnc21)C(=O)OCC 963073504 QKUYIRQQVRAYHF-IFXJQAMLSA-N 348.443 2.274 0 1 EEAF Cc1c(O)ccc2c1[C@H](c1cncnc1C(C)(C)F)N[C@H](C(=O)O)C2 963521416 CARYZTDIGLYHIR-WFASDCNBSA-N 345.374 2.384 0 1 EEAF Cc1c(N2CCN(C)CC2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 13605019 NZMXPIVIKYODSL-UHFFFAOYSA-N 341.411 2.095 0 1 EEAF COc1cc(O)c2c(c1)/C=C\C[C@H](O)[C@H](O)/C=C\[C@H](C)[C@H](C)OC2=O 169342580 NAWYJXUUEIIVTF-ZYWRWHGGSA-N 348.395 2.277 0 1 EEAF CCOC(=O)c1cc2c(cc1C(=O)OCC)CN1C(=O)CC[C@@H]1C2 1857541246 ONBUEBPFKSYJFJ-CYBMUJFWSA-N 331.368 2.087 0 1 EEAF C[C@H]1CCCC[C@H]1CN1C(=N)NC[C@@H]1CCCCN1CCNC1=N 1857638329 PYISUXIZCZXVID-JYJNAYRXSA-N 334.512 2.032 0 1 EEAF C[C@H](O)Cc1nsc(NC(=O)c2ccc(Br)o2)n1 423084 DVIAXNWRWACRKS-YFKPBYRVSA-N 332.179 2.069 0 3 EEAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N[C@H]1CCCC[C@@H]1O 4153399 WBDPZUAJKIMBQJ-YZVOILCLSA-N 346.427 2.246 0 1 EEAF CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)CC1 6893609 JXOUSUPYRITTSI-UHFFFAOYSA-N 339.461 2.061 0 3 EEAF CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(C[C@H]3C[C@@H]4CC[C@@H]3C4)nc21 101117289 CLZRCWCUPGPJDU-JHJVBQTASA-N 330.432 2.058 0 1 EEAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CC(=O)O 27641070 IDKLJIUIJUVJNR-WKJLLCCPSA-N 326.433 2.263 0 1 EEAF in-man C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCOCC1 100804739 GKIYTUZZUSXSMR-UIAACRFSSA-N 330.472 2.249 0 1 EEAF CCOC(=O)[C@@]1(C)C(=O)Nc2cc3[nH]c(-c4ccncc4)nc3cc21 28264268 DSGLEOFAHDZVCZ-GOSISDBHSA-N 336.351 2.398 0 1 EEAF C[C@]12CC=C3NC(=O)C=C3[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 2356528875 LFQHFBNBQFFFGO-YGZALHJASA-N 329.440 2.276 0 1 EEAF Cc1cccc(OCC2(CNCC3CCCC3)C[C@@H](O)[C@H](O)C2)n1 2356579329 YJZANMHKVGEYMO-IAGOWNOFSA-N 334.460 2.051 0 1 EEAF C/N=c1/c(S(=O)(=O)c2ccccc2)c(SC)nc2ccccn12 38929197 GINMLVYMHLSXEQ-ICFOKQHNSA-N 345.449 2.420 0 1 EEAF Cn1ccc(C(=O)NCc2ccccc2N2CCCCC2)c(O)c1=O 220731755 RYWFWIJSJGYZTQ-UHFFFAOYSA-N 341.411 2.011 0 1 EEAF CC(C)CCN[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3ccccc3)CO[C@@H]21 36356776 QGPMDNDSUVPREX-YYIAUSFCSA-N 334.416 2.406 0 1 EEAF biogenic CCc1cc(O)nc(SCc2nc3cc(C(=O)OC)ncc3[nH]2)n1 586967342 YAMVJKKHPILGKH-UHFFFAOYSA-N 345.384 2.095 0 1 EEAF COC(C)(OC)[C@]1(/C=C/N(C)C)CC(=O)c2cc(C)cc(N)c2O1 587386084 HMSIYHUDIVDMMS-DVBCCOPCSA-N 334.416 2.366 0 1 EEAF CCOC(=O)C[C@@]1(c2cncn2C)CC(=O)c2cc(C)cc(N)c2O1 587389498 IEJUQELYUSDCES-GOSISDBHSA-N 343.383 2.125 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@H](O)OC2)N1 587829822 CMIJTAHEWOQDGD-ULOPGQLASA-N 328.181 2.223 0 1 EEAF CC(=O)[C@@H]1C(=O)[C@H]2c3c[nH]c4cccc(c34)C[C@H]2C(C)(C)N(C)C1=O 957950730 VPZKRDKLOIHUTM-UNEWFSDZSA-N 338.407 2.449 0 1 EEAF CC[C@@H](C(=O)N1CCCC1)n1nc(C)n2c(cc3occc32)c1=O 5149729 IIPKXQUDNVYZSQ-LBPRGKRZSA-N 328.372 2.124 0 1 EEAF CCOC(=O)[C@H]1C(C)=NC(=S)N[C@H]1c1cccc(OC(C)=O)c1 169720098 VBPBSTUXEJBMGZ-KBPBESRZSA-N 334.397 2.181 0 1 EEAF C=Cn1ccnc1[C@@H]([C@@H](O)c1cc(OC)c(OC)c(OC)c1)N(C)C 377954 LWWOKJBXGOIIAV-CVEARBPZSA-N 347.415 2.346 0 1 EEAF O=C1C[C@H](O)[C@@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]12 27898557 GREJPBKWGASYSC-DZOHQFGASA-N 332.396 2.350 0 1 EEAF O=C1[C@@H]2[C@H]([C@@H]3C=C[C@H]2CC3)S(=O)(=O)N1CCCCc1ccncc1 25981940 AWLGVKCXSOFROF-YVSFHVDLSA-N 346.452 2.157 0 1 EEAF CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccccc1 2356597408 GSIPYUVMTWKRAX-FHWLQOOXSA-N 329.488 2.469 0 1 EEAF Clc1ccc2c(NC3=NCC[C@]4(CN5CCC4CC5)O3)ncnn12 210878670 YKYKHUBLLYNPDU-MRXNPFEDSA-N 346.822 2.035 0 1 EEAF COc1cc2c(c(OC)c1OC)[C@H](O)O[C@@H]1CC=C3CCN(C)[C@H]3[C@H]21 14613455 MNAREALDHXFRFJ-OZSDWXKXSA-N 347.411 2.220 0 1 EEAF biogenic O=c1[nH]c(-c2cc(-c3ccon3)n(CCC(F)(F)F)n2)ncc1F 221101051 JKONSHFSVAJRQG-UHFFFAOYSA-N 343.240 2.380 0 1 EEAF COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)O)cs2)c1 82082976 LZVBEZAVBNGNLY-QMMMGPOBSA-N 336.369 2.030 0 1 EEAF O=C(c1cnc(N2CCCCC2)nc1-c1ccco1)N1CCOCC1 82141984 RIUOSBUVRGYHAL-UHFFFAOYSA-N 342.399 2.199 0 1 EEAF Nc1ncnc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 587120045 ORXNXSHBLDZFDU-UHFFFAOYSA-N 337.309 2.078 0 1 EEAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(N)ncnc4[nH]3)cc2N1 587122197 AOSFJBYTUHXNKZ-VDTYLAMSSA-N 338.297 2.106 0 1 EEAF CCOC(=O)c1nn(C)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587391197 LMFGFPXMNSIKMB-AWEZNQCLSA-N 329.356 2.194 0 1 EEAF O=C(O)[C@H](Cc1cnc2cccc(-c3ccccc3)n12)P(=O)(O)O 1772580699 XWOCRTCINKSKNO-AWEZNQCLSA-N 346.279 2.175 0 1 EEAF Cc1cc(-c2ccc(NC(=O)N3CC[C@@H]4CN(C#N)C[C@@H]43)nc2)ccn1 1857585208 CYVRCSJGFVTEQR-SJORKVTESA-N 348.410 2.471 0 1 EEAF COc1cccc2nc(C[C@@H]3CN(C(C)=O)CC[C@H]3CC(=O)O)[nH]c12 2356302726 RYXFYHZPXKKXAX-QWHCGFSZSA-N 345.399 2.073 0 1 EEAF CN(C)C[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 2356308522 YSOUPDHCLCMXHM-RYRKJORJSA-N 334.391 2.493 0 1 EEAF CCn1c(=O)n(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc21 100310032 JJZXGTBGAPUCHC-CHWSQXEVSA-N 329.400 2.433 0 1 EEAF CCCCOC(=O)N[C@@H](C(=O)N[C@@H](CCCC)C(=O)O)C(C)C 27745866 WBOPJFBHTDFKKU-QWHCGFSZSA-N 330.425 2.297 0 1 EEAF O[C@@H](CNCCOc1ccc(-c2cnco2)cc1)c1cccnc1 28959046 DSGOVYOOENSLTR-KRWDZBQOSA-N 325.368 2.439 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3C4=C(C[C@@H]23)[C@H](O)CCC4(C)C)OC1=O 2356444446 VOFXXOPWCBSPAA-YDEYXMKJSA-N 346.379 2.139 0 1 EEAF COc1cc2c(cc1O)CN[C@H]1Cc3c(ccc(OC)c3O)C[C@@H]21 2356653158 DJRZPPQHJDVOQW-GJZGRUSLSA-N 327.380 2.469 0 1 EEAF C[C@@H]1OC(=O)c2c(O)cc(O)cc2CC(=O)CCCCC=C[C@H]1O 2356849233 PUBJBUSNXLSOQM-XHDPSFHLSA-N 334.368 2.246 0 1 EEAF CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCCCC3=O)C(=O)O1 40576994 SHRLKJMUVQRGKA-HNNXBMFYSA-N 330.384 2.447 0 1 EEAF NC(=O)c1ccc(N[C@@H]2CNCC[C@@H]2c2ccccc2)c2cncnc12 143755901 TVDXVEYZPBAGQH-RDTXWAMCSA-N 347.422 2.286 0 1 EEAF CN1CC(C(=O)NCCCc2c(Cl)cccc2Cl)=C(O)C1=O 141944415 LFBGEXVUCCLJOR-UHFFFAOYSA-N 343.210 2.326 0 1 EEAF CO[C@@H]1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)CC1(C)C 144813434 CVAQGQQKWMAYLM-MRXNPFEDSA-N 339.370 2.403 0 1 EEAF COc1cc(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc(OC)c1OC 299866129 OLEYKPKXSABUOM-CHWSQXEVSA-N 331.368 2.164 0 1 EEAF CC(=O)N1N=C(c2ccco2)O[C@H]1C(=O)N(CC(C)C)CC(C)C 299851577 GVLMTOVXSMGBQP-KRWDZBQOSA-N 335.404 2.287 0 1 EEAF CC[C@]1(Cc2nc3c(O)nc(N)nc3[nH]2)CC(=O)c2ccccc2C1 587961789 UMUJCOQQZSFNOC-GOSISDBHSA-N 337.383 2.409 0 1 EEAF CNC(=O)[C@@H]1C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 587236346 VBDSTCGJXHDFFG-RFZPGFLSSA-N 329.585 2.223 0 1 EEAF NS(=O)(=O)c1cccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c12 586878827 HMWPDPNBUYMFFJ-HJWRWDBZSA-N 343.364 2.079 0 1 EEAF Nc1ncnc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 587168262 HIMOPGADFYOROZ-UHFFFAOYSA-N 336.334 2.199 0 1 EEAF CCOC(=O)[C@@]1(c2ccsc2)NCCc2c(C(=O)O)cccc21 963129947 HLYRAQABVSDQFH-KRWDZBQOSA-N 331.393 2.399 0 1 EEAF COc1cc2c(cc1OC)C(c1ccc3c(c1)OCO3)=[N+](C)CC2 13411644 DAGTZOWOMFLORI-UHFFFAOYSA-N 326.372 2.468 0 1 EEAF CCN(CC)CCCNC(=O)Cc1c(C(=O)O)n(C)c2ccccc12 3660290 IDENBCCOQAOLDP-UHFFFAOYSA-N 345.443 2.267 0 3 EEAF CCSc1nnc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)s1 101709942 ROCXLAJJRSSVTB-BGZDPUMWSA-N 325.415 2.112 0 1 EEAF CC[C@H](C)[C@@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1 28114423 KXLGGGVERDOKEQ-BLLLJJGKSA-N 343.431 2.463 0 1 EEAF Cc1nc(NC(=O)c2ccc(C(=N)N)cc2)sc1CCC(=O)O 25981175 NXTXRLGABIDNIS-UHFFFAOYSA-N 332.385 2.005 0 1 EEAF C[C@@](O)(CS(=O)(=O)c1ccccc1)c1nc(-c2ccccc2)no1 73295581 WGSIPOUGADGHES-QGZVFWFLSA-N 344.392 2.418 0 1 EEAF O=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@H]2[C@H]1[C@H](O)CC[C@H]2O 14958827 GNGBJYHHQABICI-SMXXELNSSA-N 338.359 2.194 0 1 EEAF biogenic C[C@H]1O[C@H](SCCC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@@H](O)[C@@H]1O 195137166 HWVMUFHBNMDWTI-XWWBXEDPSA-N 342.501 2.154 0 1 EEAF CC(C)[C@@H](CO)NC(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2 1772582215 VZLAWEIKMKGBQT-BAPRJRNISA-N 339.395 2.254 0 1 EEAF O=c1[nH]cc(Cc2cccc(OCCCC(F)(F)F)c2)c(=O)[nH]1 13743534 NCTCMHSWZNKCME-UHFFFAOYSA-N 328.290 2.375 0 1 EEAF CC(C)(C)n1nnnc1[C@@H](C1CC1)N1C(=O)C(=O)c2ccccc21 206063238 GCEAVIRSMMDFIP-CYBMUJFWSA-N 325.372 2.109 0 3 EEAF CCCOc1ccc(-c2nnn(CC(=O)N3CCC(C)CC3)n2)cc1 4169432 HUOVWHKKIXQRAZ-UHFFFAOYSA-N 343.431 2.387 0 3 EEAF COc1ccc(CN2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1OC 101089231 URWWHQGURDNZSZ-KFZJALRRSA-N 327.380 2.401 0 1 EEAF Cc1ccc2oc(=O)n(CCN3CCN(c4ccccc4)CC3)c2n1 27557380 VCEKWDVMSQJQSP-UHFFFAOYSA-N 338.411 2.120 0 1 EEAF CCCNC(=O)[C@]1(C)CCN(C(=O)c2cc(C(C)(C)C)nn2C)C1 61903299 PCZUINLCTWQINF-GOSISDBHSA-N 334.464 2.096 0 3 EEAF CC[C@@H](C)C(=O)C(=O)N(C)[C@@H](C(=O)NCCc1ccccc1)C(C)C 2356862029 UWDIQZJVMAKUPJ-NVXWUHKLSA-N 346.471 2.444 0 1 EEAF CN(C)c1nc(N)c(CNC(=S)Nc2ccccc2)nc1Cl 71295260 HYJJPOZXQOGARJ-UHFFFAOYSA-N 336.852 2.265 0 1 EEAF O=C1OCC(OCCOC(=O)c2cccnc2)=C1c1ccccc1 96914272 PVDCKWWNYINYCV-UHFFFAOYSA-N 325.320 2.223 0 1 EEAF CCOC(=O)C(=O)C[C@@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1 587401772 YIUBDDBPZQPZGS-GOSISDBHSA-N 331.368 2.214 0 1 EEAF COc1ncccc1-c1ncnc2c1cnn2CCN1CCCCC1 207162527 CPWLJDSTPRQENX-UHFFFAOYSA-N 338.415 2.383 0 1 EEAF Nc1nc(N[C@@H]2Cc3ccc(F)cc3C2)nc(N2CCCCC2)n1 13800830 QGCUBJONLOMFPY-CQSZACIVSA-N 328.395 2.163 0 1 EEAF CC(C)(C)CN=c1nc(-c2cccc(N)n2)[nH]c(=NCC(C)(C)C)[nH]1 1857650852 WSBQTNQHIJTYLI-UHFFFAOYSA-N 343.479 2.276 0 1 EEAF O[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Nc1nccc(-c2cccc3ccccc23)n1 2356387998 NGIXILPOHDFBIV-MKXGPGLRSA-N 349.390 2.236 0 1 EEAF CC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2cccc(C(N)=O)c2)C1 7983915 VQKKFQDGZVDKJW-GUYCJALGSA-N 336.457 2.375 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NCCC12C[C@H]3CN(C[C@@H]3C1)C2 100818483 RFEQSKAUTOGPGV-RYUDHWBXSA-N 349.862 2.393 0 1 EEAF COc1cccc(-c2cnc(N)c(N3CCC(C(=O)O)CC3)n2)c1 58650189 DXJSLXVHZRWEMR-UHFFFAOYSA-N 328.372 2.035 0 1 EEAF in-vitro CC(=O)OCC1=C2CC/C=C/C[C@H](OC(C)=O)/C(C)=C/[C@H]2OC1=O 103548007 ZTLGDKVCFHURRE-XASHNBFESA-N 334.368 2.390 0 1 EEAF biogenic,in-vitro COc1cc(F)cc2[nH]c(Cc3nc4ccc(C(=N)N)cc4[nH]3)nc12 28568829 GJTQNDNNXOMAJV-UHFFFAOYSA-N 338.346 2.462 0 1 EEAF Cn1c(N2CCO[C@@H]3CCCC[C@H]32)nc(-c2ccncc2F)cc1=O 114418386 KXTWFYBMSDHQDY-HZPDHXFCSA-N 344.390 2.129 0 1 EEAF COc1ccccc1CN1C(=O)O[C@@H]2CN(c3nccs3)C[C@@H]21 67643328 SFDRMTUTEJYWOR-GXTWGEPZSA-N 331.397 2.361 0 1 EEAF CCCC(=O)O[C@@H](C)OC(=O)CCC(=O)O[C@H](C)OC(=O)CCC 28126990 FSOOHUREGIBIFY-VXGBXAGGSA-N 346.376 2.232 0 1 EEAF CCCC[C@]1(O)C2=C3[C@H](CC[C@H]3N(C(C)=O)C(NC(C)=O)=N2)C[C@H]1C 2356556571 GNCKPMVCKHRKOC-FXRKXCAFSA-N 347.459 2.334 0 1 EEAF Cc1ccc(-c2nc(C(=O)NCCCN3CCN(C)CC3)co2)cc1 82074854 IJJQLWVCWXMJHO-UHFFFAOYSA-N 342.443 2.017 0 1 EEAF CCS(=O)(=O)c1ccccc1-c1nc2c(C(=O)OC)ccnc2[nH]1 586922728 ROAPKGUFXFLMKJ-UHFFFAOYSA-N 345.380 2.205 0 1 EEAF Nc1nccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577030 QTSWGPJAXMHFRU-CXAGYDPISA-N 335.319 2.467 0 1 EEAF CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)CN1 587791519 GDGLPNKOHPQIHV-ANRSDYALSA-N 339.208 2.394 0 1 EEAF COC[C@]1(CC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592899 IFAGPQGFIMQCAL-YJBOKZPZSA-N 344.319 2.214 0 1 EEAF CC(C)(C)OC(=O)[C@@]1(C)CCc2nc3nc(O)nc(O)c3cc2C1 587555485 OSJIZDCNNBNWCJ-KRWDZBQOSA-N 331.372 2.273 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@@](CC(=O)C(F)F)(C1CC1)NCC2 962935132 YMBHQYQGGSFQMQ-GOSISDBHSA-N 336.382 2.364 0 1 EEAF COc1ccc([C@]2(C)NCCc3nc4ccccn4c32)c(N)c1OC 962988431 OAXARDFDMKZWMH-IBGZPJMESA-N 338.411 2.343 0 1 EEAF O=C(NCc1c(F)cccc1F)[C@H]1CCCN(c2ncccn2)C1 203475569 HYOPOKXXJCNGLK-LBPRGKRZSA-N 332.354 2.288 0 3 EEAF Cc1ccc(NC(=O)CN2C=NS(=O)(=O)c3ccccc32)c(C)c1 6918346 QZEADDACXYNISF-UHFFFAOYSA-N 343.408 2.479 0 1 EEAF O=C1CCCN1CC(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 23619356 ODEIGPVLGCGOBD-CQSZACIVSA-N 334.391 2.066 0 1 EEAF CCCCN1C[C@@H](COCc2ccccc2)OCCS1(=O)=O 61931203 GTODYROAKWNTGM-INIZCTEOSA-N 327.446 2.034 0 3 EEAF CCC=CCC=C[C@@H]1CC(=O)NCCCN(C(C)=O)CCCCN1 2356590652 XNQNGMLBSCADES-GOSISDBHSA-N 335.492 2.396 0 1 EEAF COc1ccc2nc(C)cc(N3C[C@@H](CNC(C)=O)OC3=O)c2c1 72118999 HNPXSSMCCCYUCC-CYBMUJFWSA-N 329.356 2.013 0 1 EEAF Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)CC(C)(C)C)[C@@H]3C2=O)cc1 4236380 NBADFWLYQMFJLC-ZBFHGGJFSA-N 343.427 2.457 0 1 EEAF biogenic Cn1nc([C@H]2CCCN2)c2c(C(=O)NC3CC3)cc(C3CC3)nc21 71995158 PCRAIYWTJONBKQ-CYBMUJFWSA-N 325.416 2.162 0 1 EEAF CC(=O)Oc1cc(OC(C)=O)c(Br)c(OC(C)=O)c1 13379249 AZAPGKDONINFLN-UHFFFAOYSA-N 331.118 2.225 0 1 EEAF biogenic Cc1ccc(N2C(=O)N[C@H]3CCN(C(=O)CC(C)(C)C)[C@@H]3C2=O)cc1 25229389 NBADFWLYQMFJLC-HOCLYGCPSA-N 343.427 2.457 0 1 EEAF biogenic COc1cc2c(cc1OCCCCO[N+](=O)[O-])C(=O)[C@@H](C)OC2 95558432 GFGDTLFGZZDVKX-SNVBAGLBSA-N 325.317 2.164 0 1 EEAF CC[C@@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1 95596893 ZPKXDHHDZZKMKI-NSHDSACASA-N 342.407 2.124 0 1 EEAF C=CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)C1 618018221 WEAZFDLYUZKHFZ-SNVBAGLBSA-N 346.355 2.022 0 1 EEAF C[C@@H]1CC(=O)N([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O 653840697 MMNCRRILEXDEAT-RKDXNWHRSA-N 328.290 2.427 0 1 EEAF CN(C)S(=O)(=O)c1ccc(-c2nc3nccc(Cl)c3[nH]2)o1 586931859 MYZIZHDQIRLEDZ-UHFFFAOYSA-N 326.765 2.122 0 1 EEAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cnccn1)[C@@H](C2)C3=O 587427868 GXLKFSSFXQGSQX-IEPKYODRSA-N 337.379 2.203 0 1 EEAF CC1(C)C(=O)[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@](C)([C@@H](O)CO)CC3=CC[C@H]12 5497188 NZHPGYUQZUOTLL-DJXZQIQKSA-N 336.472 2.459 0 1 EEAF CCSCCCNC[C@H](O)COc1ccc(NC(C)=O)cc1 169331476 RYIRRMMDDDZHBD-HNNXBMFYSA-N 326.462 2.118 0 1 EEAF CCOC(=O)[C@@H]1C(C)=NC(=S)N[C@@H]1c1cccc(OC(C)=O)c1 169720095 VBPBSTUXEJBMGZ-ZIAGYGMSSA-N 334.397 2.181 0 1 EEAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@H]2NC(=O)c2ccccc2C)cc1 2356287111 ZZTRXYGFGXHTOJ-CADBVGFASA-N 341.407 2.011 0 1 EEAF CCN1CCC(O)(c2csc(CN3CCC[C@H]3COC)n2)CC1 2356290494 UZWFIOPBMSCBEN-AWEZNQCLSA-N 339.505 2.057 0 1 EEAF CCO/C(O)=C1/C(C)=Nc2nc(N)nn2[C@@H]1c1ccccc1OC 103538587 BWOURMYXQQJABW-NXXVSJRMSA-N 329.360 2.370 0 1 EEAF COCc1ncc(CN2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)cn1 67742405 OZVDBWXVJKOPFU-AZUAARDMSA-N 341.455 2.439 0 1 EEAF Cc1noc2ncnc(N3CCC(C(=O)NCCC(C)C)CC3)c12 20944729 RLISTTOFMHVENP-UHFFFAOYSA-N 331.420 2.305 0 1 EEAF Nc1cc(N2CCC[C@](Cc3ccc(F)cc3F)(C(=O)O)C2)ncn1 71765211 LEXMEJFTENROBA-QGZVFWFLSA-N 348.353 2.251 0 1 EEAF C=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]21 15059601 UPDPHQRQFSASPS-BESKZLLRSA-N 332.396 2.309 0 1 EEAF biogenic O=c1oc2cc(-c3ccccc3)cnc2n1CCCP(=O)(O)O 72180839 QVBJOGYKGJQONT-UHFFFAOYSA-N 334.268 2.224 0 1 EEAF CCOC(=O)c1cnn2c1n[n+]([O-])c1ccc(-c3ccccc3)cc12 43069260 PSCJOVYHZUTQLI-UHFFFAOYSA-N 334.335 2.360 0 1 EEAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cn2ccnc2)cc1 199942077 BLIVFZJHAKRECQ-UHFFFAOYSA-N 345.428 2.083 0 1 EEAF C[C@]1([C@@H](O)CO)CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@H](O)[C@@]3(C)CO)C1 238760954 LPKFXUXEIDWKHQ-IAUSHHJMSA-N 338.488 2.252 0 1 EEAF COc1ccc(-c2cc[n+]([O-])cc2)cc1S(=O)(=O)NC1CCCC1 473117359 YUHCWPBRDRNCRM-UHFFFAOYSA-N 348.424 2.217 0 1 EEAF CC(C)NCc1c(F)cc2c(=O)c(C(=O)O)cn3c2c1OC[C@@H]3C 473235328 XPUMCIMPAJWUSV-VIFPVBQESA-N 334.347 2.290 0 1 EEAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C)nc12 653720450 HZYDVZUAVCDVOP-UHFFFAOYSA-N 345.447 2.452 0 1 EEAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3CC[C@@H](N)C3)[nH]c2c1 587246529 GZMKBIPKPCDTND-NWDGAFQWSA-N 336.461 2.236 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN(C)CCO)N1 587738947 DOFBDHSYTCKXRF-ZUZCIYMTSA-N 345.256 2.262 0 1 EEAF Nc1nccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 586997157 NZOMEGIAKHCQPF-SNVBAGLBSA-N 332.205 2.545 0 1 EEAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(N)ncnc3[nH]2)cc1 587245754 ZFYVUFGYPINVGS-UHFFFAOYSA-N 349.354 2.075 0 1 EEAF O=C(O)C[C@H]1SC2=NCCCN2[C@@]1(O)c1ccc(Cl)cc1 169332269 ZSUCTQUJRLBAJE-BXUZGUMPSA-N 326.805 2.137 0 1 EEAF CN(CCCc1ccccc1)C(=O)CCC1=NC(=C2N=CN=N2)NO1 1857620047 BMIDIVIDWIUTBM-UHFFFAOYSA-N 340.387 2.412 0 1 EEAF Cn1ccc2ccc(-c3cn(-c4ccc(O)c(F)c4)nn3)nc2c1=O 1857637831 VGLQAFZICPSJRO-UHFFFAOYSA-N 337.314 2.026 0 1 EEAF CCn1c(=O)n(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 4621 JJZXGTBGAPUCHC-PBWFPOADSA-N 329.400 2.433 0 1 EEAF in-vitro CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491916 YSYDURQOUMJEOA-AWEZNQCLSA-N 349.431 2.066 0 1 EEAF O=C(O)C[C@@H]1CC(c2ccc(OCCC3CCNCC3)cc2)=NO1 4634362 WLLIIQXAXPGRSL-INIZCTEOSA-N 332.400 2.423 0 1 EEAF C[C@@H]1CCC[C@@H](O)[C@@H](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 2356415910 BDYVVSINDMFZGR-BYCMXARLSA-N 336.384 2.342 0 1 EEAF COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCCN4CCC[C@H](O2)[C@H]4[C@H]3[C@@H]1C 101591782 LXAQGNNSRKLTLE-KDZIKLRDSA-N 347.411 2.311 0 1 EEAF COc1ccc(CCNC(=O)c2ccc3c(c2)S(=O)(=O)C=C3)cc1 58541312 RVFLIUFVPPWATJ-UHFFFAOYSA-N 343.404 2.426 0 1 EEAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(C)CCO)n1 82066593 SKVVONBWNLSSIT-LBPRGKRZSA-N 347.419 2.311 0 1 EEAF Cc1ccn2c(=O)c(NC(=O)NCCc3cccs3)cnc2c1 95576823 VKTMDTCYDXQEKJ-UHFFFAOYSA-N 328.397 2.429 0 1 EEAF CC(C)CCN[C@@H]1CO[C@@H]2[C@@H](OC(=O)NC3CCCCC3)CO[C@@H]21 36356786 OCIQLMUVEYZTFY-YYIAUSFCSA-N 340.464 2.216 0 1 EEAF biogenic Cc1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2n1 587169621 FEZXZGIGHCMELT-UHFFFAOYSA-N 334.376 2.226 0 1 EEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cncc(Cl)c2[nH]1 586945090 VQCPEJFLLNGXQD-UHFFFAOYSA-N 340.792 2.229 0 1 EEAF Cc1cccc(NC(=O)Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c1C 587238527 CEOQIIUPWJGSPU-UHFFFAOYSA-N 347.382 2.337 0 1 EEAF O=S(=O)(O)c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 586917957 ICWFHZLALSTACT-AWEZNQCLSA-N 332.337 2.322 0 1 EEAF N[C@@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)C[C@@H]1c1ccccc1F 587153810 DTUGZGLCNNCEHW-MGNBDDOMSA-N 338.342 2.374 0 1 EEAF CC(C)(SCc1nc2nc(Br)c[nH]c-2n1)C(=O)O 586958959 KJDXTIYPGWBIGX-UHFFFAOYSA-N 331.195 2.163 0 1 EEAF O=C(CCN1CCCCC1)NCC(=O)N[C@@H]1CCCc2ccccc21 148815122 PTRKRPMBWAELEG-GOSISDBHSA-N 343.471 2.172 0 1 EEAF NC(=O)c1c(F)ccc(OC[C@H]2COc3ccc(F)cc3O2)c1F 1772655787 HQUUZLUOEQDKAR-SECBINFHSA-N 339.269 2.422 0 1 EEAF c1ccc(-c2cnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)cn2)cc1 1772653607 GPBVWOMWRGJXJU-IBGZPJMESA-N 335.411 2.406 0 1 EEAF N#CN1CCO[C@H](C(=O)Nc2ncc(-c3ccc(F)cc3)s2)C1 1857584317 RBEAVWVZUZTEQR-LBPRGKRZSA-N 332.360 2.070 0 1 EEAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NC2CCCC2)n1 2356288688 JFKHQKVSCUGXHT-MLHJIOFPSA-N 333.476 2.033 0 1 EEAF CN(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 56696710 PZBCKTIMSCNDIQ-HNNXBMFYSA-N 339.848 2.316 0 3 EEAF CCn1c(=O)c2nc(C34C[C@@H]5CC3C[C@H](C5)C4)[nH]c2n(CC)c1=O 100643572 AGPFTBRVGPRNQR-PFPSSNGNSA-N 328.416 2.004 0 1 EEAF CC[C@H](C)[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1 28114436 KXLGGGVERDOKEQ-LRDDRELGSA-N 343.431 2.463 0 1 EEAF Cc1c2c(=O)n(Cc3ccccc3)[nH]c2cc(=O)n1Cc1ccccn1 64448803 GWDCECQGWTWLNM-UHFFFAOYSA-N 346.390 2.291 0 1 EEAF CN(c1ccc(Cl)nn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 142163375 ILVFKAOCLLGRPC-SNVBAGLBSA-N 329.795 2.116 0 1 EEAF O=C(O)CC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 238777164 XWRIIHRGMKHPHN-ORQIFWBASA-N 338.400 2.443 0 1 EEAF CCCCC[C@H](C)NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C 618015123 UALDQNFMFJBSGL-YRBFXIGRSA-N 346.475 2.279 0 1 EEAF O=C(Cc1cccc(F)c1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 299841815 QSJCFWYVIOJXMA-IAGOWNOFSA-N 339.414 2.354 0 1 EEAF O=C1CSC[C@H](c2nc3cc(F)cc(Br)c3[nH]2)N1 587044191 RKLDJUQCHVKSBY-MRVPVSSYSA-N 330.182 2.369 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncnn2C)N1 587759362 KMEZPJSNIWMHQZ-JMCQJSRRSA-N 325.185 2.340 0 1 EEAF O=C(/C=C/c1nc2ccc(-n3cnnn3)cc2[nH]1)Nc1ccc(F)cc1 587167931 ZYWXWYRCFWANPF-BQYQJAHWSA-N 349.329 2.330 0 1 EEAF Nc1ccc(C(=O)CCc2nc3nc(Br)c[nH]c-3n2)cc1 587252128 WZLKHFRGDSCMMB-UHFFFAOYSA-N 346.188 2.465 0 1 EEAF NC(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 586924309 PENSEHICQQSJME-HJWRWDBZSA-N 327.365 2.106 0 1 EEAF COc1cccc2c3c(cnc12)CCNC31C[C@H]2COC[C@@H](C1)N2C 963039337 UVRGQSQCVYLPBI-DBIVSCPCSA-N 339.439 2.077 0 1 EEAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CN3CCC[C@H]2C3)N1 962955874 AECHNRALZSQWBF-XLIXJNEVSA-N 342.773 2.138 0 1 EEAF Cc1cc2c(cc1O)C1(CCN(CC3CC3)CC1)N[C@H](C(=O)O)C2 963525464 MSGRTPSJBOGQEY-INIZCTEOSA-N 330.428 2.001 0 1 EEAF Cc1ccccc1OC[C@H](O)CNCC[S@@](=O)c1ccccc1 169332222 TULFHTJOLUPJCH-WAIKUNEKSA-N 333.453 2.132 0 1 EEAF O[C@H]1C[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@H]12 169373241 MORPIEPGKNRPKN-ILOCAZANSA-N 334.412 2.142 0 1 EEAF COc1cccc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)n1 1857548177 COBZMZONPDKQDQ-UHFFFAOYSA-N 327.344 2.192 0 1 EEAF Cc1cc(O)nc(-n2ncc(C(=O)NC3CCCC3)c2C(F)F)n1 1857587107 VDTWKKPUTHLUCL-UHFFFAOYSA-N 337.330 2.286 0 1 EEAF Cn1ncc2ccc(COc3ccnn3-c3cc(C(=O)O)ccn3)cc21 146834489 ORNNBJNBTNAYBS-UHFFFAOYSA-N 349.350 2.431 0 1 EEAF Cn1nc(-c2ccc(C(N)=O)c(N)c2)s/c1=N\C1CCCCC1 28385212 AYCNLFPKXSXOKW-MNDPQUGUSA-N 331.445 2.063 0 1 EEAF O=c1c2nccnc2ncn1Cc1cn[nH]c1-c1ccc(Cl)cc1 32540659 UMCAPWZOPNWOIQ-UHFFFAOYSA-N 338.758 2.278 0 1 EEAF O=C(O)CNC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 40584391 QIFUPBCEXIGQPL-UHFFFAOYSA-N 329.743 2.469 0 1 EEAF C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCN(C)C 82070765 CSFWAKCHJLEVON-LBPRGKRZSA-N 347.440 2.033 0 1 EEAF CCOC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@]12C(=O)N(C(C)=O)c1ccccc12 653861057 JRGDFVNHEOLBRL-YGOSVGOTSA-N 325.364 2.203 0 1 EEAF CNc1nc(SC)ncc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587408694 DCAIAFODQOLJJK-CYBMUJFWSA-N 330.413 2.837 0 1 EEAF CON(C)C(=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755813 PHIARYMPPDCXDU-CLAHSXSESA-N 345.212 2.357 0 1 EEAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn[nH]1 587863650 PAKRITLSQVZRSF-UHFFFAOYSA-N 337.261 2.384 0 1 EEAF Oc1nc(S)nc2[nH]c(-c3cc(Br)cnc3F)nc12 587177894 FHALHBMLLVUJCT-UHFFFAOYSA-N 342.153 2.311 0 1 EEAF COc1cc(C(=O)O[C@H]2CC[C@H]3CC[C@@H]2N3C)cc(OC)c1OC 16958538 RCYQXSCEIUPTHM-RDBSUJKOSA-N 335.400 2.494 0 1 EEAF NCc1ccc2c(-c3cccc(C(N)=S)c3)cn(CCO)c2c1 1857596852 CIMSFIOQZTXZEP-UHFFFAOYSA-N 325.437 2.394 0 1 EEAF C=C(C)[C@H]1CCC2=C[C@@H](CC(C)=CC(=O)[C@H](O)CC(=O)C1)OC2=O 253780702 NKBOMIIKMNCYIQ-FDQGKXFDSA-N 332.396 2.440 0 1 EEAF COc1ccc([C@H]2Oc3cc(O)c(OC)c(O)c3C(=O)[C@@H]2OC)cc1 103188267 IOJDFBLITNGTRH-AEFFLSMTSA-N 346.335 2.446 0 1 EEAF CNC(=O)C[C@H]1C(=O)N(c2ccc(Br)cc2)C[C@@H]1C 61923308 LIDROVUXVMUACS-JOYOIKCWSA-N 325.206 2.184 0 3 EEAF CN(C)CC[C@@H]1CN(C)C(=S)c2cc(Br)cnc2O1 26290262 YDOUHTHUKILQDC-SNVBAGLBSA-N 344.278 2.164 0 1 EEAF Cc1cc(C)nc(NC(=S)N2CCN(c3ncccn3)CC2)c1 95571064 YOVZITILDKYCHE-UHFFFAOYSA-N 328.445 2.007 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)C2=O)N1 587764881 AHDHDOZWQPGGLL-CLAHSXSESA-N 327.197 2.180 0 1 EEAF COc1nccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c12 587224356 IFENRDPURSVHDO-LLVKDONJSA-N 326.356 2.050 0 1 EEAF Cc1cc2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2c(C)n1 586930831 ZHUNAMVVVABCAO-UHFFFAOYSA-N 330.413 2.007 0 1 EEAF O=C1C[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@@H]3C2)Oc2c1ccc1c2CCCC1 587527694 VMUYBIAUNBSZFK-RFZLVVEASA-N 341.407 2.352 0 1 EEAF CCOc1ccccc1C(=O)NC(=O)NC1C[C@@H]2CC[C@H](C1)N2C 13454216 DWLIXNBJJWTIDG-AGUYFDCRSA-N 331.416 2.150 0 1 EEAF O=c1[nH]c2ccccc2c(=O)n1CCNCCCCc1ccccc1 13731485 MFSATEGOIHWCSN-UHFFFAOYSA-N 337.423 2.302 0 1 EEAF Cc1cccc(C)c1C(=O)OCN1C(=O)c2ccccc2S1(=O)=O 13738173 ATXUOVHQRVTAQB-UHFFFAOYSA-N 345.376 2.262 0 1 EEAF CC1(C)CCN(C(=O)c2ccn(-c3nc(O)c4sccc4n3)n2)C1 1857596352 PJFFSFSTQAGBEB-UHFFFAOYSA-N 343.412 2.455 0 1 EEAF C[C@]12CC(=O)c3occc3[C@@H]1CC[C@@]13C[C@](O)(CO)[C@@](O)(CC[C@@H]12)C3 2356424630 YDESRUMIEMCEJF-UEKXCGIHSA-N 346.423 2.394 0 1 EEAF C[C@H](NCCCc1ccccc1)[C@@H](O)c1ccc(O)c(C(N)=O)c1 27742273 DEFRFECNJMGCGV-SCLBCKFNSA-N 328.412 2.135 0 1 EEAF COc1cccc(CN(C)CCCn2cnc3c(OC)ncnc32)c1 61922656 SEYFSALWZFJULA-UHFFFAOYSA-N 341.415 2.366 0 3 EEAF O=C(O)[C@H](CCOc1cccc2ccccc12)CN1CCNCC1 26719481 JFQNUZOUNGSGDU-MRXNPFEDSA-N 328.412 2.215 0 1 EEAF COc1c(O)cccc1[C@@H]1COc2cc3c(c(O)c2C1=O)OCO3 2356520144 BHOVBOHIMLYCTR-VIFPVBQESA-N 330.292 2.194 0 1 EEAF CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCOCC2)C[C@@H]1C(C)C 2356617358 ZYWWUELKQCNQLH-OKZBNKHCSA-N 336.476 2.226 0 1 EEAF COc1ccc(CN2CCN3C(=O)N(c4ccccc4)C[C@@H]3C2)cn1 2356726133 FWZBJHQIKQDXGU-KRWDZBQOSA-N 338.411 2.217 0 1 EEAF CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C 28242076 BKZJUXQQYKNDDO-ZDUSSCGKSA-N 337.851 2.383 0 1 EEAF COc1ccc2c(c1OC)C(=O)O[C@H]2NNc1ccccc1C(=O)O 5676277 ARGKHSFESSBYCO-OAHLLOKOSA-N 344.323 2.188 0 1 EEAF biogenic CN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4ccncc4)cc32)N=C1N 95605319 XFVFKAMOKMDRPU-IBGZPJMESA-N 336.395 2.292 0 1 EEAF Nc1nc(N2C[C@@H]3CCN[C@H]3C2)c2oc3ccc(Cl)cc3c2n1 261092484 DSARWPRWXDBOQN-KWQFWETISA-N 329.791 2.410 0 1 EEAF Cc1c(F)ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 586957839 DFRBUSQXWKAOGJ-INIZCTEOSA-N 349.387 2.479 0 1 EEAF CCOC(=O)CC1(CC(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587401250 UXCAZEARIRNZLG-UHFFFAOYSA-N 349.383 2.188 0 1 EEAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(O)cc3[nH]2)cc1 586925773 JQDUMLXGALYSCB-UHFFFAOYSA-N 344.392 2.488 0 1 EEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cccc(C(=O)O)c2[nH]1 586962045 NWKSPECCPSJSGB-LURJTMIESA-N 331.357 2.192 0 1 EEAF Cc1ccc(-c2nn3c(=O)[nH]c4ccc(Cl)cc4n3c2=O)cc1 13642902 HGPFVUUTSFNGNR-UHFFFAOYSA-N 326.743 2.264 0 1 EEAF COc1cc2c(cc1OC)[C@@H]1Oc3cc4c(cc3[C@@]1(O)CO2)OCO4 14648502 OPUNZSMLSXSMJN-ROUUACIJSA-N 344.319 2.146 0 1 EEAF endogenous,in-man COc1ccc2c3c1O[C@H]1C(OC)(OC)C[C@@]4(C=C2)CN(C)CC[C@@]314 17222208 FRGLCSZKHVYAEC-CEXWTWQISA-N 343.423 2.436 0 1 EEAF C[C@H]1NC(=O)N(c2cccc(Cc3nnc(O)c4ccccc34)c2)C1=O 1857555633 ASTQTKGHPURHIR-LLVKDONJSA-N 348.362 2.371 0 1 EEAF CN1CCN(c2nc(-c3cccc(Cl)c3)nc3c2ncn3C)CC1 1857604923 NEQLPCNYLNZCHD-UHFFFAOYSA-N 342.834 2.436 0 1 EEAF CC(C)CC(=O)N1C[C@H](N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 1857772199 RAQWQNOQURLRFU-AWEZNQCLSA-N 327.432 2.431 0 1 EEAF CC[C@H](O)[C@@H]1C[C@H](O)[C@H](C=C[C@H](O)CCCCCCCC(=O)O)O1 2356328563 BHWUKOCNOLCGLB-XAJHFOFHSA-N 344.448 2.008 0 1 EEAF CC[C@H](O)[C@H](C)CC[C@H](C)C=C1CN2CCC[C@@H]2[C@](C)(O)[C@@H]1O 2356478585 JPTCXUSLJGJEHG-XOCCCFSASA-N 325.493 2.326 0 1 EEAF COc1cc2c(c(OC)c1OC)C(=O)O[C@@H]1CC=C3CCN(C)[C@H]3[C@@H]21 6452163 OXFLPPXWFHSXSK-IVMMDQJWSA-N 345.395 2.369 0 1 EEAF biogenic C[C@H]1C[C@H]2[C@@H]3C(C)(C)O[C@@H]4C(=O)[C@]5(O)[C@@H](C)CC[C@H]1[C@]25C(=O)[C@@]43C 196021476 KNXYXOHODLWHAC-VPCHAZENSA-N 332.440 2.371 0 1 EEAF COc1cc(C(=O)CCO)cc2c1O[C@H](c1ccc(O)cc1)[C@H]2CO 42921745 XZFXZUSMWRAOOU-MAUKXSAKSA-N 344.363 2.176 0 1 EEAF CNC(=O)Cn1nc(N)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 96934529 JWSHEBRCZUXWFJ-UHFFFAOYSA-N 349.316 2.445 0 1 EEAF C[C@H]1COc2c(CN3CCCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 473243889 DYQANALNUGPYKL-JTQLQIEISA-N 346.358 2.388 0 1 EEAF C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)C[C@@H](C)C1=O 653840699 NIXPNZQHWHBWHF-BDAKNGLRSA-N 328.290 2.427 0 1 EEAF O=C(c1cnccn1)c1c(CO)oc2cc(Br)cnc12 587276685 RGOQDRLZKTVJBJ-UHFFFAOYSA-N 334.129 2.104 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H](S(C)(=O)=O)C1)[C@@H](C2)C3=O 587450777 UUGOTPFRPQUUEB-GDZNZVCISA-N 336.409 2.169 0 1 EEAF O=C(O)c1cc(F)cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 587129361 XAPMDDBEKLVNGD-UHFFFAOYSA-N 348.244 2.443 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(CCNC[C@@H]1C(=O)OCC)CC2=O 587478442 ATQXPXSKPAWSFJ-KUHUBIRLSA-N 347.411 2.221 0 1 EEAF O=S(=O)(c1ncccc1-c1nc2ncccc2[nH]1)C(F)(F)F 587126428 AWDQSMLYHGCUJG-UHFFFAOYSA-N 328.275 2.313 0 1 EEAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 587787986 YNRNLNNYFRGWPQ-ZJUUUORDSA-N 342.380 2.291 0 1 EEAF CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCN 914431364 ZYCFMHCDZSVIGF-UHFFFAOYSA-N 341.415 2.255 0 1 EEAF CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 13136917 FPDLFUOECYLQDS-NEBZKDRISA-N 329.352 2.325 0 1 EEAF COCCCCn1c(=O)cc(Nc2ccc(C)c([C@H](C)O)c2)[nH]c1=O 13522389 HZUKJCLMSZYRJF-ZDUSSCGKSA-N 347.415 2.069 0 1 EEAF Cc1ccccc1N1CCN(C(=O)CCn2nnc3ccccc32)CC1 201447263 IUWZVANODYNBJF-UHFFFAOYSA-N 349.438 2.479 0 3 EEAF NC(=O)c1ccnc2c(NS(=O)(=O)c3ccccc3)cccc12 205636016 DWPXAPDSQGMJAN-UHFFFAOYSA-N 327.365 2.135 0 1 EEAF CN(C)C(=O)C1CCN(c2cnccc2-n2cc(C3CC3)cn2)CC1 1857590613 KJDOXDIMWMEMOH-UHFFFAOYSA-N 339.443 2.449 0 1 EEAF CC1=C[C@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@](C)(O)C=C2[C@H]1O)C3(C)C 2356420221 SMGFYRJTHUJGEK-XNKREJBXSA-N 334.456 2.377 0 1 EEAF COCCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCSC)[C@@H]1C 53598298 POFFHJOYUPFBAU-ZWNOBZJWSA-N 343.445 2.083 0 1 EEAF O=C(NC[C@H]1CCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 118676258 NJKUDKWJZPVSAI-JTQLQIEISA-N 342.424 2.336 0 1 EEAF N=C(N)c1cccc(Oc2nccc(Oc3cccc(C(=N)N)n3)n2)c1 29416493 NGZIAJQDDOOBPP-UHFFFAOYSA-N 349.354 2.024 0 1 EEAF O=S1(=O)N[C@]2(CN1C(F)(F)F)[C@H]1CC[C@@H]2Cc2ccccc2C1 101047986 NMPUONCUGMQMNT-WDNDVIMCSA-N 346.374 2.220 0 1 EEAF CCC(CC)(CO)CN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 20684198 IERZUWVEEONCBL-MOPGFXCFSA-N 346.515 2.454 0 1 EEAF CNC(=O)[C@H]1CC=C[C@@H]1n1cnc2c(NCc3ccccc3)ncnc21 29132321 KUVDTWVQJGRKFO-GJZGRUSLSA-N 348.410 2.302 0 1 EEAF COc1c(O)cc2c(c1O)C(=O)[C@@H](OC(C)=O)[C@H](c1ccccc1)O2 2356721530 IFGSAERKBCGIJK-FUHWJXTLSA-N 344.319 2.355 0 1 EEAF O=C1CCC2=C3C[C@H]4N(CC[C@]45c4ccccc4N1[C@H]25)CC3=CCO 2356810798 BBMRPYMJUQZPKZ-NRSPTQNISA-N 334.419 2.140 0 1 EEAF CS(=O)(=O)c1ccc(C2=C(c3ccc(CO)cc3)C(=O)OC2)cc1 72170725 IPUXISVPZLIZNP-UHFFFAOYSA-N 344.388 2.050 0 1 EEAF COc1c(O)cc2c(c1OC)CCCN1CCC3=CC[C@H](O)C[C@@]321 14929829 OQMVSCHTEYJJII-ORAYPTAESA-N 331.412 2.338 0 1 EEAF biogenic CN1CCN(c2cc(NCc3ccccc3Cl)nc(N)n2)CC1 45347453 FWRAMRVPMYVJMR-UHFFFAOYSA-N 332.839 2.076 0 1 EEAF CC(=O)Oc1c2c(cc3ccc(=O)oc13)C[C@@H](C(C)(C)OC(C)=O)O2 238735355 SFALCQLWCMJFHB-ZDUSSCGKSA-N 346.335 2.364 0 1 EEAF CCOC(=O)C[C@@]1([C@H]2CCCO2)CC(=O)c2cc(C)cc(N)c2O1 587411474 JOCLWBTYXHMYHZ-CRAIPNDOSA-N 333.384 2.413 0 1 EEAF COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587436917 VGQOZSCNNLBYIP-SJKOYZFVSA-N 325.320 2.366 0 1 EEAF COC(=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2n1 587158934 ZDSRMLMKAOJFKY-QGHHPUGFSA-N 326.331 2.225 0 1 EEAF O=C(CCN1CCCCC1)NCC(=O)N[C@H]1CCCc2ccccc21 148815332 PTRKRPMBWAELEG-SFHVURJKSA-N 343.471 2.172 0 1 EEAF C[C@H](CCO)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1 1772599338 PZJKDONUMPDHJJ-CYBMUJFWSA-N 349.394 2.444 0 1 EEAF CCC[C@H](Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759713 FNEUIWSCQPBECN-LBPRGKRZSA-N 342.428 2.144 0 1 EEAF CC(C)CCn1nnnc1[C@@H](c1ccccc1)N1CCN(C)CC1 19447023 AARHXBFORPILLR-QGZVFWFLSA-N 328.464 2.056 0 3 EEAF O=c1[nH]c2nonc2nc1Nc1ccc(OC(F)(F)F)c(F)c1 1911578399 XCFKKKRBEBJMNN-UHFFFAOYSA-N 331.185 2.087 0 1 EEAF O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@H]1CCNC2(CCC2)C1 52913601 JSEOESVFYKWYEF-NSHDSACASA-N 339.798 2.209 0 1 EEAF COc1cccc2c1C=C([N+](=O)[O-])[C@@H]1C2=C2OCOC2=C[C@H]1C(=O)O 28115023 XFZJGZRXKHUYSB-QMTHXVAHSA-N 343.291 2.256 0 1 EEAF C[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)N(c3c(N)ccc4ncsc34)C(=O)[C@H]12 29126840 WEVBOOVUWCNCML-QFBVAWSSSA-N 343.408 2.326 0 1 EEAF O=C1C[C@@H]2[C@@H]3CC[C@@H](O)c4c(O)ccc(c43)[C@]2(O)c2cccc(O)c21 2356719819 JANZOCFCNANROF-JQBRECHOSA-N 338.359 2.461 0 1 EEAF CCOC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)C(=O)OC)C=C1C 2356743369 XQJHTVMHMKDVGH-RRFJBIMHSA-N 339.432 2.083 0 1 EEAF CCN(C)C(=O)c1cnc(NCCOC)nc1-c1ccccc1F 82153093 JMLIMGGGAWBVIK-UHFFFAOYSA-N 332.379 2.433 0 1 EEAF COc1ccc(Nc2nc3c(N4CCN(C)CC4)cccn3n2)cc1 142797809 GVDUIWDMNJXLGS-UHFFFAOYSA-N 338.415 2.233 0 1 EEAF CC(C)[C@H](Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O 95601394 GMEXAVPUBJEDJB-LBPRGKRZSA-N 333.442 2.455 0 1 EEAF Cc1ccc2c(c1)n1ncc(C(=O)Oc3cccs3)c1[nH][n+]2=O 377815893 LMERRRVIFCNBLN-UHFFFAOYSA-O 327.345 2.319 0 1 EEAF COCC(=O)N1CCC(=O)N(C2CCCC2)Cc2cc(F)ccc21 299852131 NWOYGCJXJVFHTN-UHFFFAOYSA-N 334.391 2.480 0 1 EEAF C[C@@H]1CC(=O)N([C@H](C)C(=O)NCc2ccc(C(F)(F)F)cc2)C1=O 299864101 LXVSRZHBTOTBKA-NXEZZACHSA-N 342.317 2.105 0 1 EEAF Oc1nc(O)c2ccc(-c3ccc(N4CCOCC4)c(F)c3)nc2n1 587368229 KOVUMAFYFHVUNT-UHFFFAOYSA-N 342.330 2.079 0 1 EEAF CC1=C(c2ccc3nc(-c4cccc(CN)c4)[nH]c3c2)NNC(=O)C1 587247102 VPNPFQMXLCRVEJ-UHFFFAOYSA-N 333.395 2.444 0 1 EEAF Nc1c(-c2nc(-c3cccs3)no2)nnn1-c1ccc(CO)cc1 144163142 DXBNKZDKWHAEIF-UHFFFAOYSA-N 340.368 2.120 0 1 EEAF CC(=O)OCn1c([S@](=O)Cc2ccccn2)nc2ccccc21 13820738 DXEBEBRFBVATNJ-QHCPKHFHSA-N 329.381 2.260 0 1 EEAF CC1CCN(C(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1 15936398 BECFYKLYJMEFRE-UHFFFAOYSA-N 338.411 2.298 0 3 EEAF Oc1ccc(CCn2cc(-c3ccc(N4CCNCC4)cc3)nn2)cc1 1857553493 DQTDIZNPVNOBEY-UHFFFAOYSA-N 349.438 2.303 0 1 EEAF COc1ccc(-n2c(=O)cc(N3CCc4ccccc43)[nH]c2=O)cc1 4004341 UKZPKPVPRKBBRR-UHFFFAOYSA-N 335.363 2.229 0 3 EEAF CCOC(=O)c1cccn1S(=O)(=O)c1ccc(Cl)cc1N 6403774 GPLGLDBNRNFNTD-UHFFFAOYSA-N 328.777 2.137 0 1 EEAF COC(=O)[C@@]12COCC[C@H]3[C@@H](NCC[C@H]31)c1c2[nH]c2ccccc12 2356335819 DJGCISNEPWGNJS-AYJDZPCBSA-N 326.396 2.279 0 1 EEAF C[S@@](=O)c1ccc(C(=O)c2ccc3n2CCC[C@@H]3C(=O)O)cc1 25991881 RELMGKYHTMTUJD-NPMABZOXSA-N 331.393 2.419 0 1 EEAF CCCn1cc(C(=O)O)c(=O)c2ccc(N3CCN(CC)CC3)cc21 103286548 QVWZXOKAEWZCHP-UHFFFAOYSA-N 343.427 2.252 0 1 EEAF CC(C)N1CCN(C(=O)OC2CCN(c3cscn3)CC2)CC1 223509485 JVOIXRHHKRZMFR-UHFFFAOYSA-N 338.477 2.275 0 1 EEAF O=C(Cn1ccnc1)N1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1 257319747 VTXRLNRMQNFTTQ-XKQJLSEDSA-N 329.375 2.338 0 1 EEAF Nc1cc(CC(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1O 587651731 DHGWCNOWPICHLR-UHFFFAOYSA-N 329.743 2.221 0 1 EEAF CC(C)(C)OC(=O)NCc1nc(-c2nc3c(O)ncnc3[nH]2)cs1 587013743 ARAVBDKOEVQZAC-UHFFFAOYSA-N 348.388 2.207 0 1 EEAF CCOC(=O)[C@@H](CC(C)=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444001 XVJWDYYHCSRLFK-LPMFXHHGSA-N 346.379 2.360 0 1 EEAF COCC(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 201485878 FBZWJVOTRWNGIY-QGZVFWFLSA-N 330.428 2.065 0 3 EEAF C[C@@H]1O[C@H](OCCCCCCCCC=CC(=O)O)[C@@H](O)C[C@@H]1O 2356344799 FDWVWTCEWSMDGI-JKQORVJESA-N 330.421 2.231 0 1 EEAF CNc1nc(Nc2cnn(C3COC3)c2C)ncc1C(F)(F)F 103260618 LKBKYMMKFJAHFT-UHFFFAOYSA-N 328.298 2.357 0 1 EEAF CCc1cc(O)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1OC 64448786 PGSFAKCMNLKKDT-ZDUSSCGKSA-N 336.432 2.186 0 1 EEAF NCc1cc(S(=O)(=O)Nc2cc(O)cc3cccnc23)ccc1F 35000938 PSNMYYQOTDSGQG-UHFFFAOYSA-N 347.371 2.339 0 1 EEAF COc1cc2c(cc1O)CCN1C(=O)c3cncc([C@@H](C)O)c3C[C@H]21 13309754 ARFLVLFKQGMNQG-QLJPJBMISA-N 340.379 2.145 0 1 EEAF biogenic O=C(O)c1cn(C[C@H]2CCCN(c3ccc4ccccc4n3)C2)nn1 71279050 SBQSMZPCPAJNJN-ZDUSSCGKSA-N 337.383 2.441 0 1 EEAF O=C(N[C@@H](COP(=O)(O)O)Cc1ccccc1)c1ccccc1 45244899 IULPLSQYEHRSCC-OAHLLOKOSA-N 335.296 2.137 0 1 EEAF CC1=C2C(=C[C@@]3(O)C(=O)CC[C@@H](C)[C@]3(C)[C@H]2OC(=O)C(C)C)OC1=O 238774770 GUIUSCZLHIXZMW-WUARICJSSA-N 348.395 2.061 0 1 EEAF O=C(O)COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1 473096937 CMGRYZUEGLDACO-UHFFFAOYSA-N 328.276 2.335 0 1 EEAF Nc1nn2c(=O)cc(-c3ccc4c(c3)OCO4)[nH]c2c1-c1ccccn1 653678773 AUAPCTBQYUUXPJ-UHFFFAOYSA-N 347.334 2.063 0 1 EEAF Nc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1CC(=O)O 587250768 YTPQUDYEYONIEU-UHFFFAOYSA-N 325.324 2.210 0 1 EEAF O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586891804 QMGWTMQJLZZFSV-ZIAGYGMSSA-N 330.365 2.193 0 1 EEAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(F)cc1F 587368054 HHXNYSWMWIVTRD-UHFFFAOYSA-N 333.250 2.008 0 1 EEAF Oc1ccc2nc(-c3nccnc3I)[nH]c2c1 587186370 JKZQOVBCEVNBEF-UHFFFAOYSA-N 338.108 2.330 0 1 EEAF Cc1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2n1 586925892 KTCPGPCJZKTERW-UHFFFAOYSA-N 343.408 2.485 0 1 EEAF COC(=O)c1ccc2[nH]cc(-c3ccc4c(O)nc(O)nc4n3)c2c1 587554875 KRKCCTMHZGRVET-UHFFFAOYSA-N 336.307 2.371 0 1 EEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(F)c2[nH]1 586957942 GABAFHZQQCFOQJ-OAHLLOKOSA-N 335.360 2.171 0 1 EEAF O=C(O)Cn1cc(-c2ccc3c(O)nc(O)nc3n2)c2ccccc21 587557678 LVDLIJHXOLFQCC-UHFFFAOYSA-N 336.307 2.142 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ncnn1C)C1CC1 963633338 HVBVOKVMFYBWMQ-VOJFVSQTSA-N 328.416 2.020 0 1 EEAF NC(=O)c1cc2c(Oc3ccc([C@H](O)CO)cc3)cncc2s1 13864449 YHJUZJLDRQAUCV-GFCCVEGCSA-N 330.365 2.213 0 1 EEAF COc1ccccc1Nc1nc(NC[C@@H](C)O)nc(N2CCCC2)n1 14968028 LEFTURAFKSDISD-GFCCVEGCSA-N 344.419 2.017 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(Cl)cc1 169294930 USPKYYZDABFFSZ-LACSLYJWSA-N 342.782 2.038 0 1 EEAF Cn1cc(Nc2ncnc3c2cnn3Cc2cccc(NC#N)c2)cn1 1857558317 UBMOHZBVRBFLSS-UHFFFAOYSA-N 345.370 2.245 0 1 EEAF Cc1ccc2nc3c(O)n(CCCN4CCN(C)CC4)cnc-3c2c1 101260745 FKJOQOPZCRPFQN-UHFFFAOYSA-N 339.443 2.188 0 1 EEAF CC=C1CN2CC[C@@]34C(=O)c5ccccc5N3[C@@H](C(=O)OC)[C@H]1C[C@@H]24 2356393674 PPYARVBMTFPVQA-CNVJLJKISA-N 338.407 2.024 0 1 EEAF OCC[C@@H]1CN(Cc2cccc3c2OCO3)CCN1C1CCCC1 20202679 JJPYDYBPZUXWLA-QGZVFWFLSA-N 332.444 2.227 0 3 EEAF COC(=O)C1=C2[C@@](C)(CCC(=O)[C@]2(C)C(=O)OC)c2ccccc21 2356529535 JRSPUWVUJVKEPF-OALUTQOASA-N 328.364 2.427 0 1 EEAF CN1CC=c2c([nH]c3ccccc23)=C1C[C@@]1(C)CC[C@H](C(C)(C)O)O1 2356810317 HUIPXXLAQRVOES-WIYYLYMNSA-N 340.467 2.101 0 1 EEAF CC1(C)C=Cc2c(ccc3c2O[C@@H]2[C@H]3COC3=CC(=O)C=C[C@@]32O)O1 14502678 XBSGPVUHRGTYRA-BOUXLOLZSA-N 338.359 2.500 0 1 EEAF biogenic Clc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)N3)sc2n1 210833126 HQEKGUANNJMHFT-HNNXBMFYSA-N 348.863 2.180 0 1 EEAF CO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35273293 KEBVBTRIOHKRMU-ZWNOBZJWSA-N 338.795 2.311 0 1 EEAF C[C@H](Cc1nc2c(N)ncnc2n1CCc1ccccc1)[P@@H](=O)O 40829491 OLGNXXZFJVJGNG-LLVKDONJSA-N 345.343 2.049 0 1 EEAF COc1cccc(OC)c1[C@H]1OC(=O)c2cc(CO)c(OC)c(O)c21 238744335 MNUUXJXTUTUKJJ-KRWDZBQOSA-N 346.335 2.170 0 1 EEAF C[C@@]1([C@H](O)CO)C=C2C[C@H](O)[C@@H]3[C@@](C)(CO)CCC[C@@]3(C)[C@@H]2CC1 238754826 NEUCUEHDGUFUDL-YBRIYBKASA-N 338.488 2.252 0 1 EEAF CC1CCC(CN2C(=N)NC[C@@H]2CCCCN2CCNC2=N)CC1 299860979 KERUZQRTTDBTPE-GPANFISMSA-N 334.512 2.032 0 1 EEAF CNC[C@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426607 ADZCQTURMXPEMO-DNVCBOLYSA-N 325.364 2.263 0 1 EEAF CS(=O)(=O)c1ccc2nc(-c3cccc(NC(N)=O)c3)[nH]c2c1 587241763 HYHVUCWEQXOEND-UHFFFAOYSA-N 330.369 2.124 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCC(N)=O)c1)O2 587392131 XBUFBYJNKVYBQV-INIZCTEOSA-N 326.352 2.148 0 1 EEAF NC(=O)N1CCc2sccc2[C@@]1(c1ccccc1)c1nc[nH]n1 962696021 FGFKUMWRCVKYMH-INIZCTEOSA-N 325.397 2.095 0 1 EEAF CCOC(=O)N1CCC[C@@]2(CC1)NCCc1nc3ccccn3c12 962991261 UUBLSMGYTHTFQZ-SFHVURJKSA-N 328.416 2.318 0 1 EEAF Cc1ccc(C(=O)O)cc1CCCn1cnc2c1NC=NC[C@@H]2O 13807552 VAGKEGDTQGQMIL-AWEZNQCLSA-N 328.372 2.010 0 1 EEAF CC(/C=C/C(=O)N[C@@H](CO)Cc1ccc(O)cc1)=C\[C@@H](C)CC(=O)O 15212930 PWIPPVISROQJBU-ZQNBELMISA-N 347.411 2.025 0 1 EEAF N#CN1C[C@H](C(=O)Nc2cn(-c3ccccc3)cn2)CC(F)(F)C1 1857547605 PAWCTLQUARPXTG-GFCCVEGCSA-N 331.326 2.249 0 1 EEAF CC(=O)Nc1cccc2c1[C@H]1c3ccccc3[C@H]2[C@@H]2C(=O)NC(=O)[C@H]21 1857603464 OZQOTOAAFVHBSB-BGTYHANMSA-N 332.359 2.125 0 1 EEAF CN(C)c1ncnc(CNC(=O)[C@H]2[C@H](c3ccc(F)cc3)C2(C)C)n1 1857757785 SFOJELKZLHFTKF-LSDHHAIUSA-N 343.406 2.133 0 1 EEAF C[C@H](CO)Nc1nc(SCc2ccco2)nc2nc(N)sc12 1908479 JOFFESJQUJHGCW-SSDOTTSWSA-N 337.430 2.347 0 1 EEAF O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4055220 QVXUZKYOAVVAGX-DZGCQCFKSA-N 334.759 2.133 0 1 EEAF CC(C)n1cc(C(=O)O)c(=O)c2ccc(N3C[C@H](C)N[C@H](C)C3)cc21 103282258 PLJXUCLLKRASCC-BETUJISGSA-N 343.427 2.467 0 1 EEAF Cc1nn(CCO)cc1-c1nc2c[nH]n([C@@H](C)c3ccccc3)c-2n1 103586445 YRWOUBMAPAMOHL-ZDUSSCGKSA-N 336.399 2.485 0 1 EEAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cc(C(C)(C)C)nn2C)C1 61907027 MDNBPGPNAHVYHG-IBGZPJMESA-N 348.491 2.486 0 3 EEAF O=C(N[C@@H]1CO[C@@H]2[C@@H](OCc3ccccc3)CO[C@@H]21)C1CCCCC1 2356821388 GAFWCYZUHSMQLW-FCGDIQPGSA-N 345.439 2.435 0 1 EEAF O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1NC(=O)[C@H]1CCCO1 38278735 ODRLHWKSMWLWIE-AEFFLSMTSA-N 349.390 2.097 0 1 EEAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1NO 31861358 UFZLCPVLRYCSJY-UHFFFAOYSA-N 332.356 2.069 0 1 EEAF COC(=O)N1C[C@H](Oc2ncccn2)[C@H]2C[C@@H]1c1ccccc1O2 199735536 JBJPWVOSTUSBNI-YUELXQCFSA-N 327.340 2.198 0 3 EEAF c1cc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)[nH]n1 225528719 SBXKHNKILBXHRD-UHFFFAOYSA-N 347.382 2.247 0 1 EEAF COc1ccc([C@@H]2[C@H](O)C(=O)N2c2cc(OC)cc(OC)c2)cc1 84654917 KKXKFSUNACANKR-SJORKVTESA-N 329.352 2.161 0 1 EEAF CC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 84653843 NNILPWIOCNHOKU-UHFFFAOYSA-N 349.368 2.116 0 1 EEAF NS(=O)(=O)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 95564461 XMZANRZZPLONQO-OAHLLOKOSA-N 334.422 2.113 0 1 EEAF Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)N[C@@H]1CCCNC1 95579739 MBPQBSOJNLSBMQ-OAHLLOKOSA-N 349.456 2.297 0 1 EEAF NS(=O)(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3)nn2)cc1 96908719 LYHTZPYTBPFEHF-UHFFFAOYSA-N 348.815 2.294 0 1 EEAF CC(C)(CO)NC(=O)c1nn(-c2ccccc2F)c2c1C[C@H]1C[C@@H]21 299821644 LPNSPHDENZJFTM-GHMZBOCLSA-N 329.375 2.172 0 1 EEAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587238853 GLIOWVAVQJEVSE-UHFFFAOYSA-N 334.343 2.005 0 1 EEAF CCc1cc(O)nc(SCc2nc3c(C(=O)OC)ccnc3[nH]2)n1 586967295 WPYQDLOXLHIFAZ-UHFFFAOYSA-N 345.384 2.095 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CN2CCOCC2)N1 587774016 LKPYCYNXEZJWGD-MFKMUULPSA-N 343.240 2.496 0 1 EEAF COC(=O)c1c(-c2cccnc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650793 FDMPWMARWINFFW-UHFFFAOYSA-N 330.365 2.420 0 1 EEAF CNS(=O)(=O)c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587411429 ZTBIXCQHOKVCLZ-MRXNPFEDSA-N 346.408 2.192 0 1 EEAF COc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2n1 587009222 XUOQNUDOIHQEMQ-UHFFFAOYSA-N 345.160 2.439 0 1 EEAF COc1cccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c12 586930395 RPOYLGAESJZDLO-UHFFFAOYSA-N 331.397 2.004 0 1 EEAF Cc1nn(Cc2nc3cc(N)c(N)cc3[nH]2)c(C)c1Br 586979232 UHYUWTOMEHJQOI-UHFFFAOYSA-N 335.209 2.351 0 1 EEAF CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1Cl 587065604 VEGVIPLSCHCFAA-UHFFFAOYSA-N 333.735 2.336 0 1 EEAF CCN1C(=O)[C@@]2(NCCc3c(C(=O)O)cccc32)c2cc(F)ccc21 963153597 VPEJJEVNQWROIN-IBGZPJMESA-N 340.354 2.280 0 1 EEAF Cc1ccc2oc(=O)cc([C@@H](CC(=O)O)c3c(O)n[nH]c3C)c2c1 1772577082 PHLJUDNXUQSGSB-GFCCVEGCSA-N 328.324 2.445 0 1 EEAF CNc1nc(Nc2ccc(S(C)(=O)=O)cc2OC)ncc1Cl 205924843 LZFHWFCVSZKXIP-UHFFFAOYSA-N 342.808 2.327 0 1 EEAF CC1(C)COC(c2c(O)ccc3c4c(c(=O)oc23)CNCC4)OC1 1857546857 ZUPKDJNWMNSQAP-UHFFFAOYSA-N 331.368 2.216 0 1 EEAF CC[C@H](Cc1ccccc1)NS(=O)(=O)c1csc(C(N)=O)c1 6859561 ZUPHECCSOOCTBS-GFCCVEGCSA-N 338.454 2.147 0 3 EEAF CCn1c2c(c(O)nc1=O)[C@H](c1ccc(C)cc1)C1=C(O)OCC1=N2 103663639 GEDXUGBUSIADGE-GFCCVEGCSA-N 339.351 2.295 0 1 EEAF C[C@@H]1NC(=O)COC12CCN(CCc1c[nH]c3ccccc13)CC2 27987141 YMWCHFVKNLRUOY-AWEZNQCLSA-N 327.428 2.080 0 1 EEAF CCCNC(=O)[C@]1(C)CCN(C(=O)c2ccc(OC)cc2OC)C1 61925806 MNICULCHEHTABX-GOSISDBHSA-N 334.416 2.082 0 3 EEAF CC(=O)NC1=NCC[C@H](c2c[nH]c3cc(Br)ccc23)N1 45289554 WIMLTZGMXSHPMW-GFCCVEGCSA-N 335.205 2.457 0 1 EEAF O=C(O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 195358844 HRIMAEHEKSQLQV-FIQHERPVSA-N 327.258 2.298 0 1 EEAF CCCC(=O)N1CCC[C@@H](n2cc(-c3cc(C(=O)O)ccn3)nn2)C1 473133925 AAMPETJUYUYVFI-CYBMUJFWSA-N 343.387 2.002 0 1 EEAF CC(C)(C)OC(=O)N[C@@H](c1nc2c[nH]c(=N)[nH]c-2n1)C1CCCC1 587225951 NVRZSXIGWVIURC-LLVKDONJSA-N 332.408 2.473 0 1 EEAF Nc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1CC(=O)O 587249363 JLGVUJCTHHLZAV-UHFFFAOYSA-N 337.261 2.200 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1cnc4c(c1)OCCN4C)[C@@H](C2)C3=O 587444874 RLTIULRXCDZWOL-UGSOOPFHSA-N 338.363 2.408 0 1 EEAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(OC)nc1N)CC2=O 587473693 ZMYSLYPYNQCFJW-CQSZACIVSA-N 329.356 2.432 0 1 EEAF COC(=O)Cc1ccccc1-c1nc2c(S)nc(S)nc2[nH]1 587783606 WPDFGHCPLBWWRT-UHFFFAOYSA-N 332.410 2.313 0 1 EEAF COC(=O)c1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 586962604 SQRXZDHLXLZDLG-SSDOTTSWSA-N 345.384 2.281 0 1 EEAF CN1CCc2cnn(C)c2[C@@]1(c1ccccc1)c1ccc(N)c(N)c1 963953712 CONOPRLOIJDDHE-HXUWFJFHSA-N 333.439 2.364 0 1 EEAF O=C(COC(=O)[C@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(Cl)cc1 169354796 XMUPOSDDOMAHDX-HEBWXOEQSA-N 349.770 2.019 0 1 EEAF O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@@H]5[C@@H]2[C@H]3C[C@H]46 6252733 QMGVPVSNSZLJIA-SMKSMWBPSA-N 334.419 2.093 0 1 EEAF Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)NCCN(C)C)o2)cc1 6895718 NGHCFOKCVKDNAD-DEOSSOPVSA-N 348.468 2.328 0 1 EEAF CCOc1ccc(N(C)S(=O)(=O)c2csc(C(N)=O)c2)cc1 7006266 ZHYPCSBTOIJQHL-UHFFFAOYSA-N 340.426 2.071 0 3 EEAF COC(=O)c1cc(O)c2c(c1)[C@@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 2356402850 SCVUAQMETPPABH-MLGOLLRUSA-N 346.335 2.103 0 1 EEAF C[C@]12CC[C@@H]3NC(=O)C=C3[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 2356463757 LGVJHWQZLCCTPA-GWUXEJKESA-N 331.456 2.151 0 1 EEAF C[C@H](Cc1ccc2c(c1)OCO2)c1cn(CCN2CCCC2)nn1 91858371 RFUJJTNBNFZVIT-CQSZACIVSA-N 328.416 2.449 0 1 EEAF Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)CC(C)(C)C)[C@H]3C2=O)cc1 25229395 NBADFWLYQMFJLC-GDBMZVCRSA-N 343.427 2.457 0 1 EEAF biogenic CC(C)(C)OC(=O)NC1(c2nc3cc(N)ncc3[nH]2)CCC(O)CC1 587237006 KGXBQSZJNAPDSN-UHFFFAOYSA-N 347.419 2.195 0 1 EEAF COc1cc(Cl)cc(C=O)c1OCc1nc2c(O)ncnc2[nH]1 587067249 PULPZBRQHICWMG-UHFFFAOYSA-N 334.719 2.112 0 1 EEAF CCOC(=O)c1n[nH]cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440154 OTIZXDPUUBQACO-HWPZZCPQSA-N 328.324 2.084 0 1 EEAF CC(C)(C)Oc1cc(-c2nc3c(O)nc(N)nc3[nH]2)c(N)cc1F 587136761 VKUDLVSNYQMKOU-UHFFFAOYSA-N 332.339 2.206 0 1 EEAF CN1CCc2cnn(C)c2[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]12 963954800 LTJTWISIKTUQQR-SPYBWZPUSA-N 346.475 2.380 0 1 EEAF CCOc1c(S(=O)(=O)NC[C@H](C)O)ccc(Cl)c1Cl 1857652512 AXCXPENOSXHVFC-ZETCQYMHSA-N 328.217 2.051 0 1 EEAF COC(=O)c1cc(CCc2cc(C(=O)OC)c(N)s2)sc1N 1772613194 JNQRIMPQZNZEQV-UHFFFAOYSA-N 340.426 2.332 0 1 EEAF O=c1ccc2c(ccn2Cc2nnc3ccc(-c4ccccc4)nn23)[nH]1 166089231 BCDCULBZYBOTHM-UHFFFAOYSA-N 342.362 2.483 0 1 EEAF CN(C)CCc1nc2ccccc2n1Cc1ccc(C(=O)NO)cc1 201628684 ATCRGSXWNSBBFM-UHFFFAOYSA-N 338.411 2.308 0 1 EEAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCCCC2)n1 2356321255 AVQKAVDJHZVBMN-WJFTUGDTSA-N 347.503 2.423 0 1 EEAF C[C@@H]1C(=O)[C@@]23C[C@H](O)[C@@H]4[C@@](C)(CO)CCC[C@]4(C)C2=CC[C@@]1(O)C3 2356337265 WVGFQNIYXUJDEE-OSKQGCRHSA-N 334.456 2.213 0 1 EEAF CCOC(=O)CC(=O)CSc1n[nH]c2c3ccccc3nc-2n1 101933658 VFZUJUUBIDVIKE-UHFFFAOYSA-N 330.369 2.072 0 1 EEAF Oc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2c1 114085925 UDLFPPHYXDHXCU-INIZCTEOSA-N 330.413 2.264 0 1 EEAF COc1c(NCCCNc2ccnc3cc(Cl)ccc23)c(=O)c1=O 101702672 AZEBWFDDCVOQTD-UHFFFAOYSA-N 345.786 2.407 0 1 EEAF CN(Cc1ccc2ccccc2c1)c1cnc2nc(N)nc(N)c2n1 29224603 WLZLLHWXBQTJGJ-UHFFFAOYSA-N 331.383 2.374 0 1 EEAF CCC(=O)O[C@H](c1cccc(O)c1)C1C2CN(C)CC1CN(C)C2 26247192 UDIRIJWPADKVDK-LBOWEKIUSA-N 332.444 2.126 0 1 EEAF CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)C(=O)OC)C=C1C 2356743370 XQJHTVMHMKDVGH-ZNMIVQPWSA-N 339.432 2.083 0 1 EEAF COc1ccc(CNC(=O)c2c(C)n(O)c3ccccc3[n+]2=O)cc1 49114671 IZMXCMNLICORQB-UHFFFAOYSA-O 340.359 2.040 0 1 EEAF CN(C)C(=O)CCNc1ncnc2[nH]cc(-c3cccc(C#N)c3)c12 224885692 CLAQSCOHFCXYES-UHFFFAOYSA-N 334.383 2.387 0 1 EEAF CNC(=O)c1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O 141822743 JPQMUPQWMISQSP-UHFFFAOYSA-N 339.376 2.376 0 1 EEAF C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@H]3C=C(C)[C@@H]4O[C@@H]4[C@]3(C)[C@]1(C)[C@]21CO1 238779327 LAQCZBYXNRANFU-DNAXFMMMSA-N 332.396 2.154 0 1 EEAF CCCc1c(O)ccc2c1O[C@@](C)(CN1CCN(C)CC1)CC2=O 587478032 ZIOBNNVMSGAVBJ-LJQANCHMSA-N 332.444 2.316 0 1 EEAF Nc1nc(O)c2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2n1 587115903 DMWOETRHMDWUOL-UHFFFAOYSA-N 347.260 2.270 0 1 EEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587255364 FLWGQEMXCHBIHI-LLVKDONJSA-N 344.415 2.049 0 1 EEAF NC(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 587170607 DMQJRGJEQKPRTG-UHFFFAOYSA-N 327.315 2.258 0 1 EEAF Cc1ccc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)cc1 587561051 MPGREKALYPGORE-UHFFFAOYSA-N 325.324 2.429 0 1 EEAF CC(C)(CCCO)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 207399183 IKQWGPLVSPLIDS-UHFFFAOYSA-N 333.432 2.424 0 1 EEAF O=c1c2cccc(Cl)c2ncn1-c1ccc(N2CCOCC2)nc1 1772638473 RREBYWZERCHDMB-UHFFFAOYSA-N 342.786 2.271 0 1 EEAF CNC[C@H](O)CN1CCc2cc(OCc3ccccc3)ccc2C1 1857570111 FTYBTIALSBYYEN-IBGZPJMESA-N 326.440 2.204 0 1 EEAF Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OCC=C=O)C3 2356349312 BWTICQLOBUGUTK-OAHLLOKOSA-N 330.336 2.294 0 1 EEAF COc1cc(OC)cc(-c2cn(-c3ccc(O)c(C(=O)O)c3)nn2)c1 53298502 GYCORJCLQBOSPD-UHFFFAOYSA-N 341.323 2.355 0 1 EEAF O[C@H]1CC[C@H](Nc2nccc(-c3c[nH]nc3[C@H]3CCCOC3)n2)CC1 100468738 SCIILXOOXBQBFM-MELADBBJSA-N 343.431 2.476 0 1 EEAF O=C(NCCc1ccc(Cl)cc1)c1cc(CN2CCOCC2)on1 21540836 SXDLGEPBOXRJLP-UHFFFAOYSA-N 349.818 2.133 0 1 EEAF Cn1cncc1C(=O)N1CCc2[nH]nc(CCc3ccccc3)c2C1 23478949 NOVGCSKZCQZCKJ-UHFFFAOYSA-N 335.411 2.127 0 1 EEAF CC[C@H](C)[C@@H](C(=O)O)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C 66259840 QOOUYRBZZDYTEG-RCBQFDQVSA-N 330.428 2.491 0 1 EEAF C[S@@](=O)c1ccc(C[C@@]2(O)c3ccccc3C3=NCCCN32)cc1 28954246 VKWJGAKEACJHOH-DVECYGJZSA-N 340.448 2.278 0 1 EEAF C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)Nc1nccs1)C(=O)N2 31904842 RORFIKIEDJVZJB-PKWAYOAASA-N 329.381 2.110 0 1 EEAF O=c1[nH]c(=S)[nH]c2nc(Cc3ccc(Cl)c(Cl)c3)nn12 96282938 NDFXXVAZVMLCPA-UHFFFAOYSA-N 328.184 2.373 0 1 EEAF COc1ccc(CN2CC[C@@H]3C=CC[C@@H](C(=O)O)[C@@H]3C2=O)cc1OC 13829864 DTZAJVAQVWFENG-JJRVBVJISA-N 345.395 2.329 0 1 EEAF CNC[C@@H](O)CN1CCc2cc(OCc3ccccc3)ccc2C1 1857570112 FTYBTIALSBYYEN-LJQANCHMSA-N 326.440 2.204 0 1 EEAF COC(=O)[C@H]1COC[C@H]2C[N+]3=C(C[C@@H]21)C1=Nc2ccccc2[C@@H]1C=C3 100630808 DJZCWNUGWLTICC-OEAJRASXSA-N 337.399 2.293 0 1 EEAF COc1cc2c(cc1O)C[C@H]1[C@@H]3CCC(=O)C[C@@]23CCN1C(C)=O 2356427856 PBJNHHVHWVSQDK-URLQWDBASA-N 329.396 2.185 0 1 EEAF COc1cc(C2=NN[C@H](c3ccc(F)cc3)[C@@H]2O)cc(OC)c1OC 28462235 LCNKRCCSBKDQRI-WBVHZDCISA-N 346.358 2.261 0 1 EEAF COc1ccc(S(=O)(=O)n2ccc3ccccc3c2=O)cc1OC 26578544 XKPPDXZPGNBRCH-UHFFFAOYSA-N 345.376 2.256 0 1 EEAF NCCOc1c(Br)cc(CCN)cc1Br 27902377 RELGMEHRBCKNFG-UHFFFAOYSA-N 338.043 2.050 0 1 EEAF NC(=O)c1cccc2c(N[C@H]3CNC[C@@H](c4ccccc4)C3)ncnc12 114348336 YEVTXUFUOGTALP-LSDHHAIUSA-N 347.422 2.286 0 1 EEAF C[C@@H]1CN(c2cnc3c(c2)NC(=O)CO3)[C@H](c2ccccc2)CO1 115884900 YEFMFDYTYWBJCT-WBMJQRKESA-N 325.368 2.379 0 1 EEAF COC(=O)C(C)=C1C(=O)O[C@@]2(C)[C@H]([C@@H]1OC(C)=O)C(C)(C)[C@H]1C[C@H]12 2356708523 SGOTZEIKTUEQEA-YMIVVKNQSA-N 336.384 2.015 0 1 EEAF COc1c(O)ccc2c1-c1c3c(cc4c1[C@@H](NCC4)C2=O)OCO3 2356785275 SEFJWXLIIXFJLQ-OAHLLOKOSA-N 325.320 2.180 0 1 EEAF O=C(Nc1ccccc1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NCc1ccco1 2356863599 URTCHLZDIUKCQC-QBPKDAKJSA-N 344.367 2.153 0 1 EEAF CC(C)=CCc1cccc2c(C[C@@H]3NC(=O)[C@@H](C)NC3=O)c[nH]c12 14721651 IHJVJWQYVQWURS-WBMJQRKESA-N 325.412 2.222 0 1 EEAF biogenic COc1ccc(/C=C2/C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C)cc1 72127797 LNJXHMVOPQVJDF-XIDKLXSXSA-N 336.391 2.236 0 1 EEAF Cc1cc([C@H]2CCCCc3c2nc(N)nc3N2CCNCC2)ccn1 49055216 JNRNKONQFXPTCK-OAHLLOKOSA-N 338.459 2.030 0 1 EEAF COc1cc([C@@H]2Oc3c(OC)cc(CCO)cc3[C@@H]2CO)ccc1O 238782221 TXHGJKUVNPUSLN-KSSFIOAISA-N 346.379 2.154 0 1 EEAF Cc1ccc(N2CC[C@@H]3CO[C@H](CN(C)Cc4ccco4)[C@@H]3C2)nn1 299843432 ROFMWFOMTOKJEQ-KBAYOESNSA-N 342.443 2.351 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(CS(=O)(=O)c4ccccc41)[C@@H](C2)C3=O 587451639 KRPNHPXTKZICSX-SCLBCKFNSA-N 342.372 2.125 0 1 EEAF Oc1nc(O)c2nc(-c3nc(Br)ccc3Cl)[nH]c2n1 587005837 VRVRAJHKZIUPDA-UHFFFAOYSA-N 342.540 2.242 0 1 EEAF N[C@H](c1nc2nc(Br)c[nH]c-2n1)c1ccc(F)cc1F 587150190 LBZQLUBYNUANMN-VIFPVBQESA-N 340.131 2.393 0 1 EEAF CC[C@H](C)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@H]3C1=O 5907887 WBTXSYLBOXAEQH-SVKXURNBSA-N 341.407 2.310 0 1 EEAF CC(=O)Oc1ccc(-c2cncc(C(=O)[C@@H]3CCN(C)C3=O)c2)cc1 205754207 FBVXZABOAACAJB-KRWDZBQOSA-N 338.363 2.335 0 1 EEAF O=C1O[C@H](c2ccc(O)cc2)[C@@H](C(=O)O)/C1=C\c1ccc(O)cc1 13385272 VCGDDWQSRJLRHG-IYSULOHHSA-N 326.304 2.480 0 1 EEAF CSc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 4564585 IZSQLYVOPDEZNN-OJXGSEEGSA-N 342.420 2.154 0 1 EEAF O=C(N[C@@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@@H]21)C1CCCCC1 2356821389 GAFWCYZUHSMQLW-NCXUSEDFSA-N 345.439 2.435 0 1 EEAF COc1ccc2c(c1)[C@]1(O)CCN3C[C@H]4C[C@@H](C1=N2)[C@@H]3[C@H]([C@H](C)O)C4 238760194 DCLUPSCVJQXNCE-OOQMXNONSA-N 342.439 2.080 0 1 EEAF c1cncc(CN2CC[C@H]3O[C@@H](COCCN4CCCC4)CC[C@@H]32)c1 299842020 IPSONUGHFBYKRI-HSALFYBXSA-N 345.487 2.316 0 1 EEAF CS(=O)(=O)/C=C\c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586925867 JRHFGAGYDXTQQB-SREVYHEPSA-N 328.397 2.410 0 1 EEAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccnn1C)[C@@H](C2)C3=O 587433205 WGVNXBKTEKCBKM-SDVJTUAPSA-N 339.395 2.147 0 1 EEAF C[C@H]1CNC(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587793076 JMVWLUKVFKVSSZ-IQMYEBEASA-N 341.224 2.474 0 1 EEAF CC1(C)OC(=O)C[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 586906476 DRKYWDVJXVPWQZ-ZDUSSCGKSA-N 329.400 2.204 0 1 EEAF CC1([C@@]2(C)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)COC1 962646115 WMJKVSVFPIABCC-DOMZBBRYSA-N 345.317 2.436 0 1 EEAF CCOC(=O)N1CCC2(CC1)NC[C@@H]1CC(=O)N(C)c3cccc2c31 963025176 JOPCDTRFDOMLSS-ZDUSSCGKSA-N 343.427 2.188 0 1 EEAF CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)no2)CC1 13743864 VQWUSRRSHHAZMT-UHFFFAOYSA-N 331.416 2.276 0 1 EEAF CN(C)c1ccccc1C[S@](=O)c1nccn1-c1cnccn1 13746259 ALVLVWKGWFQZHX-HSZRJFAPSA-N 327.413 2.036 0 1 EEAF Cc1ccccc1CN1CCN(c2cnnc(O)c2C(C)C)CC1=O 1857595596 MMBVEHUVPBRIEU-UHFFFAOYSA-N 340.427 2.463 0 1 EEAF C=CC(=O)N1CCC[C@H](Nc2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1 1911578163 VLXVMCBLCHFCRI-ZDUSSCGKSA-N 340.427 2.473 0 1 EEAF COC(=O)c1ccc2c(c1)C(Oc1ccc(O)nn1)=C(O)C(C)(C)O2 26659320 ROYKURVILXJQPL-UHFFFAOYSA-N 344.323 2.445 0 1 EEAF CN(C(=O)n1c(=O)[nH]c2ccccc21)C1C[C@@H]2CCC[C@@H](C1)N2C 100649510 IQARRFVNDVOHGQ-STQMWFEESA-N 328.416 2.245 0 1 EEAF CCOC(=O)Nc1cc2oc(=O)c(-c3ccccc3)nc2c(N)n1 29345168 BZRZDDRFFHXDGF-UHFFFAOYSA-N 326.312 2.401 0 1 EEAF Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)N1CCOCC1 64837600 MLINPHLNCWOFRX-UHFFFAOYSA-N 336.413 2.288 0 1 EEAF Cc1cc(Nc2cccc(Cl)c2)n2nc(S(C)(=O)=O)nc2n1 73313038 RAWFYVBZRZCBPQ-UHFFFAOYSA-N 337.792 2.233 0 1 EEAF COc1c(O)ccc2c1O[C@@H]1c3cc(O)cc(O)c3CO[C@H]1C2=O 15265607 AKYWPKJOMUJLSP-WBVHZDCISA-N 330.292 2.027 0 1 EEAF biogenic COc1ccc(C=C2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C)cc1 13361127 LNJXHMVOPQVJDF-QGZVFWFLSA-N 336.391 2.236 0 1 EEAF biogenic CNC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccccc3)nc1-2 42201316 UOZGSFYRTXKQQR-UHFFFAOYSA-N 334.383 2.079 0 1 EEAF Cc1ccccc1-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12 95571585 KVMZEFZVTUVVAV-UHFFFAOYSA-N 347.382 2.273 0 1 EEAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C)cn3)C2)cc1 142315091 OFDUHDSMAAWSJW-ZDUSSCGKSA-N 326.400 2.250 0 1 EEAF CO[C@H](C(=O)O[C@H]1C(=O)N2CC[C@@H]3CC[C@@H]1[C@@]32C)c1ccccc1 96909122 XTAGYWVBMDSJKJ-XHWCBRGXSA-N 329.396 2.317 0 1 EEAF CCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(OC)n1 95553288 PITYPMPLEOAHRY-UHFFFAOYSA-N 339.395 2.464 0 1 EEAF Cc1ccc(-n2ncc(C(=O)N(C)C3CCN(C)CC3)c2N)cc1C 299852152 ODMYABATWDMQMH-UHFFFAOYSA-N 341.459 2.238 0 1 EEAF C[C@H]1CC(=O)N([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O 653840700 NIXPNZQHWHBWHF-DTWKUNHWSA-N 328.290 2.427 0 1 EEAF C[C@@H]1CNC(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587591534 CSIWAOVTGHNWQB-RWTORFTKSA-N 339.347 2.249 0 1 EEAF N=c1[nH]c2nc(-c3cn(-c4ccc(Cl)cc4)nn3)nc-2c(Cl)[nH]1 587076331 QCMLSXZVAVBGKV-UHFFFAOYSA-N 347.169 2.272 0 1 EEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(C(C)(C)C)nc2[nH]1 587202727 GDBYINZGEOCTMX-LBPRGKRZSA-N 345.447 2.334 0 1 EEAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1 587369298 ZILLULWSJIOGTP-UHFFFAOYSA-N 331.715 2.384 0 1 EEAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cccc(I)c2[nH]1 587236351 VGYSMRDWMUIASC-NKWVEPMBSA-N 341.152 2.017 0 1 EEAF N=c1[nH]cc2nc(-c3ccoc3COc3ccc(C=O)cc3)nc-2[nH]1 586900798 MVVUFGYTMHBZLL-UHFFFAOYSA-N 335.323 2.369 0 1 EEAF CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C(OCC(=O)O)=CO1 587415078 YMLICVCPEKDHTO-KRWDZBQOSA-N 331.324 2.158 0 1 EEAF CC(C)c1nn(C)c2c1[C@](C)(CC(=O)Nc1ccccn1)NCC2 962915947 IIFFUBXIAFXHNU-SFHVURJKSA-N 327.432 2.328 0 1 EEAF CN1C(=O)C[C@H]2CN[C@H](c3cnc4n3C=CCC4=O)c3cccc1c32 963028666 PDNBFLBRVWXMSA-VOJFVSQTSA-N 334.379 2.083 0 1 EEAF C[C@@H](c1ccccc1)c1cc(O)n(-c2cc(-c3nnn[nH]3)ccn2)n1 146867840 NDZPISWATWIEPJ-NSHDSACASA-N 333.355 2.305 0 1 EEAF O=C(Oc1ccc2c(c1)C(=O)c1nc3nonc3nc1-2)c1ccccc1 1772641697 LFGLHDBOANRMCG-UHFFFAOYSA-N 344.286 2.443 0 1 EEAF CC(=O)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 14728216 WJMRMTQQBTZCNV-SJORKVTESA-N 330.292 2.052 0 1 EEAF biogenic CC[C@H](C)[C@@H](CO)NC(=O)[C@]1(C)CON=C1c1ccc(N(C)C)cc1 769661 NDLAXTVKKYJBGD-URKNILKWSA-N 347.459 2.016 0 1 EEAF CCCCCS(=O)(=O)c1ccc(Cl)cc1[C@@H]1NC(=O)NC1=O 1551194 KIWGOJFEYDUYQS-LBPRGKRZSA-N 344.820 2.184 0 1 EEAF COc1cc(C=CCO)ccc1C[C@@H](CO)[C@H](O)c1ccc(O)cc1 2356355775 HCMFTRPSMOLYLT-FXAWDEMLSA-N 344.407 2.291 0 1 EEAF O=C(CSc1n[nH]c2c3ccccc3nc-2n1)NCc1ccco1 101659581 UROBNZFFYRYMAI-UHFFFAOYSA-N 339.380 2.459 0 1 EEAF COc1cc2c(cc1OC)=C1C=Cc3cc4c(cc3[C@@H]1N(C)C=2)OCO4 2356708082 CUPJBBLOERFPFT-OAQYLSRUSA-N 349.386 2.035 0 1 EEAF CC(C=CC(=O)N[C@H](CO)Cc1ccc(O)cc1)=C[C@@H](C)CC(=O)O 2356752209 PWIPPVISROQJBU-ZBFHGGJFSA-N 347.411 2.025 0 1 EEAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CC(=O)O 71758129 IDKLJIUIJUVJNR-XJEQWDHQSA-N 326.433 2.263 0 1 EEAF CCCCN1N=C(C(=O)c2cc(OC)ccc2N)C[C@@H]1C(=O)OCC 40404449 LLYDBERZTMEPOD-MRXNPFEDSA-N 347.415 2.254 0 1 EEAF NCc1noc(-c2c3ccccc3nn2Cc2ccc3c(c2)OCO3)n1 40876577 WEINPPVEJKWVCU-UHFFFAOYSA-N 349.350 2.322 0 1 EEAF O=C(OCc1ccoc1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 377602833 FJLMOGVUSSSKEC-UHFFFAOYSA-O 345.722 2.334 0 1 EEAF Cc1cccc(C(=O)N2CCCC[C@@H]2c2[nH]ncc2S(C)(=O)=O)c1 299850782 OEGQATKLFBWPEF-CQSZACIVSA-N 347.440 2.489 0 1 EEAF CN(Cc1ccco1)C[C@H]1OC[C@H]2CN(c3ncc(F)cn3)CC[C@@H]12 299843270 PPTMMDDPOXTVQH-KBRIMQKVSA-N 346.406 2.182 0 1 EEAF COC(=O)c1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2n1 587041848 GUHPHCDIEFFWCB-NSHDSACASA-N 348.428 2.365 0 1 EEAF CCOC(=O)[C@H](C)[C@@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587400105 NHZCBCUZDWKNBF-BBATYDOGSA-N 349.383 2.044 0 1 EEAF Oc1ncnc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12 587161599 ORLGAFPDRYITKU-UHFFFAOYSA-N 345.725 2.158 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(O)cc1)(C(=O)O)O2 587403541 IMHHIGHNOJWOGF-GOSISDBHSA-N 327.336 2.314 0 1 EEAF Cc1cnc2[nH]c(-c3nccnc3I)nc2c1 587185996 CIHIHOBQYHKOAE-UHFFFAOYSA-N 337.124 2.328 0 1 EEAF N[C@@H](N=O)c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 957725177 QYGKWCAQAMHTMK-INIZCTEOSA-N 339.351 2.475 0 1 EEAF CC(C)c1nn(C)c2c1[C@](c1ccccc1)([C@H]1COC(=O)C1)NCC2 962915626 APPOCTRPGFEEIL-QRWLVFNGSA-N 339.439 2.496 0 1 EEAF O=c1n(CCCNCc2ccccc2)c(O)c2n1Cc1ccccc1C2 169718914 YZSDBYCCBZUADC-UHFFFAOYSA-N 349.434 2.488 0 1 EEAF COc1cc(O)c(C[C@H](O)Cc2ccc(O)c(OC)c2)c(OC)c1 1857763456 MFEKDTJVZLAALZ-GFCCVEGCSA-N 334.368 2.270 0 1 EEAF NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2Cl)c1 1857771605 QFLAGELTZRUHMY-UHFFFAOYSA-N 341.776 2.337 0 1 EEAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H](O)[C@@H]1[C@@H]3C[C@@H](C[C@H]12)OC3=O 100780940 OEIFXOHVCYVTGK-ARMLUQLFSA-N 346.379 2.223 0 1 EEAF endogenous,in-man C/C=C1/CN2[C@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)OC 103585114 BDXYPHKGNUGUFG-WMDXCQASSA-N 338.407 2.246 0 1 EEAF biogenic,in-vitro CC(=N)NCCCNCCCCCCCNCCCNC(C)=N 72105138 JZNNJZXTAWOOAT-UHFFFAOYSA-N 326.533 2.070 0 1 EEAF O=C(c1cccnc1)N1CCN2C[C@H](OCc3ccccc3)C[C@@H]2C1 299842272 FHTLTQDLPLKLDS-RTBURBONSA-N 337.423 2.197 0 1 EEAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)o1 586930405 CUYODDLKYISEDK-UHFFFAOYSA-N 344.755 2.261 0 1 EEAF COc1ccc([C@@H](O)[C@H](C)c2nc3c(O)nc(S)nc3[nH]2)cc1 587936903 MZCDMEYLOXVWSX-CPCISQLKSA-N 332.385 2.193 0 1 EEAF O=C(O)Cc1ccc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587960111 WEMVFBTWFRQSSV-UHFFFAOYSA-N 346.364 2.028 0 1 EEAF C/C=C(/C)C(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1 13515887 UPVPJQNTGLTBPC-CDTWXTRXSA-N 346.471 2.360 0 1 EEAF C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1Cc1ccccc1 13804137 KFFMAMYSLJCGIW-IUODEOHRSA-N 330.350 2.033 0 1 EEAF CC1=C[C@H](O/C=C2/C(=O)O[C@H]3C4=C(C[C@@H]23)[C@@H](O)CCC4(C)C)OC1=O 14717649 VOFXXOPWCBSPAA-RUJYLACQSA-N 346.379 2.139 0 1 EEAF endogenous,in-man CN1CCC[C@@H](C(=O)NCc2cccnc2-n2cnc3ccccc32)C1 14981268 MRDTUHDCISYNPS-MRXNPFEDSA-N 349.438 2.379 0 1 EEAF NS(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 3815533 FHSRUXRMSRJDQV-ZSOIEALJSA-N 343.408 2.034 0 1 EEAF CN1CCN(C[C@@H](OC(=O)Cc2ccccn2)c2ccccc2)CC1 1857755402 IZMAVXUPKZHABB-LJQANCHMSA-N 339.439 2.156 0 1 EEAF CC(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccc(C)cc3[nH]2)C1 2356302606 AVMPDAVBSGHIKH-ZIAGYGMSSA-N 329.400 2.373 0 1 EEAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4049355 KGYBGXTUVDYEFB-VYDXJSESSA-N 328.368 2.259 0 1 EEAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)F 10450399 UKTHMORJKFEXQR-ZETCQYMHSA-N 345.726 2.465 0 1 EEAF CC(C)Oc1cc(N2CCOCC2)nc2c([C@@H]3CCNC3)nccc12 1911582704 QPRVMWNTKKNCLS-CQSZACIVSA-N 342.443 2.331 0 1 EEAF CC=C(C)C(=O)O[C@@H](Cc1cc2c(cc1O)OC(=O)CC2)C(C)(C)O 2356471362 UNRHZLPQQCVZIH-INIZCTEOSA-N 348.395 2.435 0 1 EEAF Cc1cc(C(=O)NCC(F)(F)F)c2c([C@@H]3CCCN3)noc2n1 71995467 WZTRSRAACXBUMF-VIFPVBQESA-N 328.294 2.248 0 1 EEAF CCCn1c(=O)n([C@@H](c2ccccc2)[C@H](O)CNC)c2ccccc21 43120362 QWDPOYBOJIBHAD-MOPGFXCFSA-N 339.439 2.383 0 1 EEAF CC(=O)O[C@@H]1c2cc3ccc(=O)oc3cc2OC(C)(C)[C@@H]1OC(C)=O 40914024 POGOLPGOABCVHR-IAGOWNOFSA-N 346.335 2.500 0 1 EEAF CCCn1c(=O)c(NCC2CC2)c2n(c1=O)[C@H](c1ccccc1)CN2 82209706 URDAWWADGNIKDB-HNNXBMFYSA-N 340.427 2.257 0 1 EEAF O=C1c2ccccc2[C@H](c2nnnn2Cc2ccccc2)N1C1CC1 199225242 MSRFEASBLFYWFK-QGZVFWFLSA-N 331.379 2.429 0 3 EEAF COc1cc2c3c4c1O[C@@H]1[C@@H](OC)[C@H](O)CC[C@@]41CC[C@@H]3N(C)CC2 238782429 GAWFNFWDRUYYRA-JKOPRLQNSA-N 345.439 2.187 0 1 EEAF CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(CCC[C@@]4(C)CO)C[C@H]23)OC1=O 144050894 KYSWLLSZOWOOGF-ZMJOFITKSA-N 346.379 2.141 0 1 EEAF NC(=O)C[C@H]1CC[C@H](c2ccc(-c3cncc(C(N)=O)n3)cc2)CC1 254133762 ASMVUYHQXNPNLI-JOCQHMNTSA-N 338.411 2.392 0 1 EEAF COC(=O)c1ccc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2c1OC 587249647 QEQYEFQEVVMXIY-UHFFFAOYSA-N 341.323 2.306 0 1 EEAF NS(=O)(=O)c1c[nH]c(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1 586929748 IHXXRJLFXVRVJG-UHFFFAOYSA-N 330.291 2.224 0 1 EEAF CC1([C@]2(C)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)COC1 962646117 WMJKVSVFPIABCC-SWLSCSKDSA-N 345.317 2.436 0 1 EEAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ncn1 962955218 KEPZWZWAGDYLBF-SMDDNHRTSA-N 339.729 2.405 0 1 EEAF CC(=O)N1CCC([C@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1 203782332 TZLKQKCGJBWURI-IEBWSBKVSA-N 325.412 2.462 0 1 EEAF O=S(=O)(c1ccccc1)[C@H]1CC(c2nc3ccccc3[nH]2)=NO1 5543743 RDKXKORHCNFKAX-HNNXBMFYSA-N 327.365 2.487 0 1 EEAF CC(C)Oc1cc(-c2cncc(N3CCOCC3)c2)ccc1C(N)=O 1857564828 ABOJMONYYGQPBY-UHFFFAOYSA-N 341.411 2.471 0 1 EEAF Cc1nnsc1CN1C[C@@H]2CC[C@H]1CN(Cc1ccccn1)C2 1857602405 KTOCZRIQLGQKQH-ZBFHGGJFSA-N 329.473 2.338 0 1 EEAF Cc1ccc(SC[C@@H](CF)OCn2cc(F)c(=O)[nH]c2=O)cc1 1855781 GHBLJSWVIPTCLR-LLVKDONJSA-N 342.367 2.089 0 1 EEAF Cn1cc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4n3C)C2)cn1 2356302105 MAYGSBQSLNJCMG-WMLDXEAASA-N 343.406 2.046 0 1 EEAF NC(=O)c1ccc2[nH]c(-c3ccc(O[C@H]4CCCNC4)cc3)nc2c1 28959940 KXSKDAVOXPPJKO-HNNXBMFYSA-N 336.395 2.460 0 1 EEAF CC1=C[C@@H]([C@@H](O)C(C)=CCOc2ccc3ccc(=O)oc3c2)OC1=O 2356568326 JYYSLADUUKHTSY-WMZOPIPTSA-N 342.347 2.351 0 1 EEAF O=C(O)CC[C@H](CNC(=O)c1ccccc1)NC(=O)c1ccccc1 13438298 YFNIERVXGGNEKO-MRXNPFEDSA-N 340.379 2.080 0 1 EEAF biogenic Oc1ccc2c3c1O[C@@H]1CCC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 81970148 XBPQMXFKKJADMC-XNFNUYLZSA-N 327.424 2.346 0 1 EEAF in-vitro CC[C@@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1 95595973 SBNNOXYSSSCMJX-NSHDSACASA-N 342.407 2.124 0 1 EEAF COc1ncccc1CN1C[C@H]2CCN(c3ccc(C)nn3)C[C@@H]2C1 299842503 HIRZBGFPSOIUCY-WBVHZDCISA-N 339.443 2.147 0 1 EEAF COc1nccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587194620 WILZLXTWOWKBAK-GFCCVEGCSA-N 349.435 2.484 0 1 EEAF CC(C)COc1cccc(OCc2nc3c(O)nc(N)nc3[nH]2)c1 587566138 XHIMZWPMBANRIJ-UHFFFAOYSA-N 329.360 2.255 0 1 EEAF Cn1cnc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962982229 WRZNCFSRTXBFBL-ZANVPECISA-N 327.718 2.040 0 1 EEAF CC(C)(C)OC(=O)[C@]1(C2=COCC2)NCCc2c(C(=O)O)cccc21 963131083 MGBBSENEFTUHMG-LJQANCHMSA-N 345.395 2.372 0 1 EEAF CC(C)[C@](C)(CO)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 207378363 YXRYPPIBSOFPHA-SFHVURJKSA-N 333.432 2.280 0 1 EEAF O=C(c1csnn1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1 3956249 HBEIXDKTEYFLAR-KRWDZBQOSA-N 343.456 2.061 0 1 EEAF CC(=C/CO)/C=C/[C@H]1[C@@](C)(O)[C@@H](O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]21C 100778725 RMAJUEUHZWCNQM-TWNUJNJDSA-N 338.488 2.416 0 1 EEAF endogenous,in-man COc1ccc(C2=NN(CCO)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26570865 BYYHDFCCMVGVAV-ZIAGYGMSSA-N 332.400 2.049 0 1 EEAF Cc1cnc(NCCCn2nnc3ccccc32)nc1-c1ccnn1C 20877723 PMSJKAZHNSKTBV-UHFFFAOYSA-N 348.414 2.432 0 1 EEAF CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1OC[C@H](O)[C@@H]1O 26494951 SXFPESHSABVKRF-RWMBFGLXSA-N 346.214 2.414 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45c6ccccc6N[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)OC 2356495696 BDXYPHKGNUGUFG-AVDPAMPWSA-N 338.407 2.246 0 1 EEAF CCCCn1cc(C(=O)OCC)c(=O)c2ccc3c(nnn3C)c21 28704622 VEUUOZXXRLPNPS-UHFFFAOYSA-N 328.372 2.260 0 1 EEAF CCC[C@H]1Sc2nncn2N=C1c1ccc2c(c1)NC(=O)CO2 68079079 NOXYSWMDJQBBKO-GFCCVEGCSA-N 329.385 2.136 0 1 EEAF COc1cc(O)c2c(c1)OC[C@@]1(Cc3cc(OC)c(OC)cc31)C2=O 6483551 GTARHKGCDCSIQV-LJQANCHMSA-N 342.347 2.487 0 1 EEAF biogenic Cc1cccc(C)c1NC(=O)CNC(=O)C1=CC(C)(C)NC1(C)C 40503505 JBXSWOVTEWINCW-UHFFFAOYSA-N 329.444 2.445 0 1 EEAF CCOC(=O)C1=NO[C@]2(C1)C(=O)Nc1ccc(OC(F)(F)F)cc12 95566738 MEXOOXQSKJQSPA-ZDUSSCGKSA-N 344.245 2.072 0 3 EEAF COc1ccc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3N(C)O)cc1OC 238748998 BVCCDTLMDMGNJI-WDNDVIMCSA-N 336.388 2.092 0 1 EEAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CNC(=O)CC)cc1 95895378 GTUJJNILEQVMPG-BSFFNIOUSA-N 344.455 2.311 0 1 EEAF Cc1noc(C)c1CN1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 299842060 CGNBDXCGRIFDAC-ZACQAIPSSA-N 333.432 2.036 0 1 EEAF Cn1cnc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962982228 WRZNCFSRTXBFBL-TVQRCGJNSA-N 327.718 2.040 0 1 EEAF CCCCCn1c(C)c(Cl)c(=O)n(CC(=O)NC(C)(C)C)c1=O 1772648826 UKLILSKQHZNKDT-UHFFFAOYSA-N 343.855 2.077 0 1 EEAF CC(=O)c1cc([C@H](O)[C@H](O)C(C)(C)O)c2oc(C(C)(C)O)cc2c1 13306504 QUZPTVPAUHASLU-HOCLYGCPSA-N 336.384 2.028 0 1 EEAF biogenic COc1ccc(-n2nnnc2SCc2cc(N)cc(N)c2)cc1 169332055 FJIPYAFEGSZUQB-UHFFFAOYSA-N 328.401 2.128 0 1 EEAF COc1cccc(CNC(=O)c2nc3scc(C)c3c(=O)[nH]2)c1 204240530 KTASZCQNPZRXCW-UHFFFAOYSA-N 329.381 2.232 0 1 EEAF COc1ccc(-c2cn(CC(=O)Nc3nc(C)cs3)nn2)cc1 1857590362 DBOYFYCCDSHBED-UHFFFAOYSA-N 329.385 2.357 0 1 EEAF COc1ccc(COc2ccc3c(c2)OC[C@@H]3N(O)C(N)=O)cc1 15401 QJENDJWEDDRVMP-HNNXBMFYSA-N 330.340 2.478 0 1 EEAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2CCC2)nc1 1491298 SRCBRCPFSNAWLW-UHFFFAOYSA-N 346.334 2.352 0 1 EEAF COc1ccc(COc2ccc3c(c2)OC[C@H]3N(O)C(N)=O)cc1 3803974 QJENDJWEDDRVMP-OAHLLOKOSA-N 330.340 2.478 0 1 EEAF c1ccc2c3[nH]nc(SCCCN4CCOCC4)nc-3nc2c1 6345155 MYSKTUKRWVAFKK-UHFFFAOYSA-N 329.429 2.272 0 1 EEAF O[C@H]1CC[C@H](Nc2nccc(-c3c[nH]nc3[C@@H]3CCCOC3)n2)CC1 100468741 SCIILXOOXBQBFM-MCIONIFRSA-N 343.431 2.476 0 1 EEAF CC(C)[C@@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCCC1 28118155 FHKALBCCNXQEEI-MRXNPFEDSA-N 343.431 2.463 0 1 EEAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNC(=O)NC(C)C)CC1 2356779583 BDFKRDHRHAYJBY-KSZLIROESA-N 336.524 2.136 0 1 EEAF CCN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82141565 BCGVTWJUPOWZEZ-UHFFFAOYSA-N 344.390 2.211 0 1 EEAF COC(=O)c1cccc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c12 322814208 AHCZLWLNMCQLGR-UHFFFAOYSA-N 330.365 2.420 0 1 EEAF CC(C)[C@@H]1COCc2cn(nn2)CC[C@@H](Cc2ccccc2)C(=O)N1 95898399 QOGRSGMMWNTNNL-WMZOPIPTSA-N 342.443 2.198 0 1 EEAF NC(=O)c1ccc(Nc2nc(N)c(C(=O)c3cccnc3)s2)cc1 95920775 LWEUMOYBSFDLPX-UHFFFAOYSA-N 339.380 2.194 0 1 EEAF in-vitro O=C(C1=Cc2cc(Br)ccc2S1(=O)=O)N1CCCC1 473153662 BVFBKBKOKZBIRM-UHFFFAOYSA-N 342.214 2.200 0 1 EEAF C/C=C1\CN2C(=O)[C@]3(c4ccc(OC)cc4N)C[C@H]2[C@H]2CO[C@@H]3C[C@@H]12 473247722 GJTBZLZKFLDAQJ-WSIGHSHASA-N 340.423 2.111 0 1 EEAF COC(=O)c1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cn1 587970102 YPEVDVHQAVKIOG-GNBKPXKDSA-N 325.368 2.391 0 1 EEAF Cc1cc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2cc1Br 587970466 HXSBFEDGRHMRPF-UWVGGRQHSA-N 339.145 2.133 0 1 EEAF CCOCCOCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587778037 GAKMTWCIHWRNDV-UHFFFAOYSA-N 343.387 2.175 0 1 EEAF COc1ccc([C@@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1 587561404 PMHNRLILMISKDK-LBPRGKRZSA-N 337.335 2.092 0 1 EEAF COc1nccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587194622 WILZLXTWOWKBAK-LBPRGKRZSA-N 349.435 2.484 0 1 EEAF COC(=O)c1cc([C@@H]2c3c(F)cccc3C[C@H]3CCCN23)nn1C 963108478 PBIVIQRAGMMDEM-SJKOYZFVSA-N 329.375 2.456 0 1 EEAF CCCCn1c(=O)n(CC(=O)NC(C)(C)C)c(=O)c2cccc(C)c21 1772590681 QICGHZQHKJMOGM-UHFFFAOYSA-N 345.443 2.186 0 1 EEAF CS(=O)(=O)c1ccc([C@H]2SCC(=O)N2c2ccccn2)cc1 1772585229 NEOVJRGGEBVOKZ-OAHLLOKOSA-N 334.422 2.264 0 1 EEAF C[C@](CO)(N=c1nc(-c2ccncc2)[nH]c2cnccc12)C(F)(F)F 1857576488 IJPRRFQGFGXIFM-OAHLLOKOSA-N 349.316 2.234 0 1 EEAF C[C@H]1CCC[C@H](NC(=O)CN2C(=O)CSc3ncccc32)[C@@H]1C 6802515 OUFINTQVLFBYEJ-XQQFMLRXSA-N 333.457 2.461 0 1 EEAF CC1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNC(=O)NC(C)C)CC1 2356779582 BDFKRDHRHAYJBY-BZSNNMDCSA-N 336.524 2.136 0 1 EEAF CCCc1n[nH]c([C@H]2CN(C(=O)c3cc(F)ccc3OC)CCO2)n1 76045899 FNVYIXAUEZGKIK-CQSZACIVSA-N 348.378 2.119 0 1 EEAF O=S(=O)(c1ccc(F)cc1)N1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 74377010 UFTHNJIUBHFQNR-HZPDHXFCSA-N 346.383 2.249 0 3 EEAF COC1=C(C)C(=O)O/C1=C1/O[C@@]23CCCN4CCC[C@H](O2)[C@H]4[C@@H]3[C@@H]1C 85894339 LXAQGNNSRKLTLE-INMMPLHESA-N 347.411 2.311 0 1 EEAF COCCO[C@H]1CCN(Cc2cccnc2)[C@@H]1Cc1cccnc1 299843668 WCOQVDCSRPYWIA-MOPGFXCFSA-N 327.428 2.325 0 1 EEAF COC(=O)Cc1ccccc1-c1nc2nc(Br)c[nH]c-2n1 587783059 FIENUCVJRQKYLX-UHFFFAOYSA-N 347.172 2.450 0 1 EEAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc2c(c1)CCC2 587560112 BERDNJFGTLLTEX-UHFFFAOYSA-N 337.335 2.219 0 1 EEAF Nc1ncc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2n1 587127617 ZSCDGFNWXWWPQH-UHFFFAOYSA-N 335.249 2.377 0 1 EEAF NS(=O)(=O)c1ccc(F)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587142186 MVYUMHSZVNARKN-UHFFFAOYSA-N 344.730 2.204 0 1 EEAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cncnc3[nH]2)c1 586929766 ADJNMZYYAOBDJY-UHFFFAOYSA-N 331.401 2.050 0 1 EEAF C1=CC2=C(Cc3nnc(Cc4nc5ccccc5[nH]4)o3)CN[C@H]2C=C1 1772633305 QODIOKLYPVTMKD-AWEZNQCLSA-N 331.379 2.474 0 1 EEAF OCCNc1nc(Nc2ccccc2Cl)nc(N2CCCC2)n1 12726129 GQGYXQXENCTJDT-UHFFFAOYSA-N 334.811 2.273 0 3 EEAF COc1cccc(Cn2nc(C)c3c(NC(=O)[C@H](C)OC)[nH]nc32)c1 1857597770 TZKVGXRQXGOBDR-NSHDSACASA-N 343.387 2.098 0 1 EEAF O=C(O)CCC=CC[C@H](O)C=CC=CC=C[C@H](O)CCCC(=O)O 2356457671 XWRIIHRGMKHPHN-CVEARBPZSA-N 338.400 2.443 0 1 EEAF CCCn1cnc(NC(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)n1 20993533 CMUPEMQETLTYMB-ZDUSSCGKSA-N 342.403 2.210 0 1 EEAF Cc1c(=O)c(O)c2oc(O)c(O)c3c(=O)c4c(c1c23)O[C@@H](C)C4(C)C 2356835460 KSBBPABTWKMREP-LURJTMIESA-N 344.319 2.228 0 1 EEAF COCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82141444 NPGQMWOWGOVUCJ-UHFFFAOYSA-N 344.390 2.259 0 1 EEAF COc1ccc(C2=NNC(=O)C2(C)C)c2[nH]c(C(F)(F)F)nc12 84688552 UVESLSKZETUFEH-UHFFFAOYSA-N 326.278 2.450 0 1 EEAF COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CCN2C=O)cc1O 32236770 QYKLIFNJBMPXQU-OAHLLOKOSA-N 343.379 2.413 0 1 EEAF biogenic CCOC(=O)[C@H]1CNCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522145 DRSSNCBUXZSLMS-OXQOHEQNSA-N 343.423 2.442 0 1 EEAF CON(C)C(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755820 PHIARYMPPDCXDU-XLKFXECMSA-N 345.212 2.357 0 1 EEAF CN1C(=O)C[C@H]2CN[C@]3(CCc4cc(CN)ccc43)c3cccc1c32 963034087 XJASAEFGHGATNM-BTYIYWSLSA-N 333.435 2.388 0 1 EEAF O=C(O)[C@@H](Cc1cnc2cccc(-c3ccccc3)n12)P(=O)(O)O 1772580700 XWOCRTCINKSKNO-CQSZACIVSA-N 346.279 2.175 0 1 EEAF COc1cc(-c2nc(O)c3ccccc3n2)ccc1OS(C)(=O)=O 1772587660 NPVBHWSQIGVFRG-UHFFFAOYSA-N 346.364 2.349 0 1 EEAF Cc1nn(CCCC(=O)NC(C)C)c(=O)c2cc3sccc3n12 5109145 LIBLSQAIOJCBOX-UHFFFAOYSA-N 332.429 2.324 0 1 EEAF CCc1cncc(C(=O)OC)c1CC(=O)OCCc1ccc(O)cc1 13310791 JJYBQHJOSHTENR-UHFFFAOYSA-N 343.379 2.465 0 1 EEAF biogenic NC(=O)c1cc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)cs1 6859512 FJAYIWKPOKKVLI-UHFFFAOYSA-N 348.449 2.325 0 3 EEAF CC(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 2356305738 CCXMQCBRHKALKY-NEPJUHHUSA-N 333.363 2.204 0 1 EEAF C[C@@]1(CN)CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 103284833 NMAOAATWOQEVEX-IBGZPJMESA-N 341.411 2.210 0 1 EEAF CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc13 28646636 LVYYHBPAWFABPE-JCKWVBRZSA-N 327.453 2.344 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3c4c(C)ccc(C)c4[C@H](O)[C@@H]23)OC1=O 2356534006 VTDCLRRDQIBELF-VDNDLQMASA-N 342.347 2.294 0 1 EEAF CCNC(=O)[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)CC1 61907154 ZICRLQLDVPONFA-ZDUSSCGKSA-N 326.400 2.008 0 3 EEAF COc1cccc(OC)c1[C@@H]1OC(=O)c2cc(CO)c(OC)c(O)c21 2356688098 MNUUXJXTUTUKJJ-QGZVFWFLSA-N 346.335 2.170 0 1 EEAF CCn1nc(C)c(-c2ccnc(NCc3nnc4n3CCC4)n2)c1C 23478404 GYMBIUBRGMIQCO-UHFFFAOYSA-N 338.419 2.127 0 1 EEAF NCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c2cccnc21 38928649 XGXHANFTDNWBFA-UHFFFAOYSA-N 335.816 2.481 0 1 EEAF CC(=O)N[C@H]1CCN(c2ncc(C)c(NCc3ccccc3F)n2)C1 82203506 XFCJPKRHTJCVDJ-HNNXBMFYSA-N 343.406 2.251 0 1 EEAF Cc1cc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)CO3)ccn1 149404935 APHMMXANWQGNRL-LJQANCHMSA-N 337.379 2.006 0 1 EEAF O=C(Cc1cccs1)N1C[C@H]2OCCN(Cc3ccoc3)C[C@@H]2C1 299843782 YAXTYJXQXCBVDJ-NVXWUHKLSA-N 346.452 2.243 0 1 EEAF C[C@H]1CC(=O)N([C@H](C)C(=O)NCc2ccccc2C(F)(F)F)C1=O 299868610 RXAAVLGVCKRRBR-VHSXEESVSA-N 342.317 2.105 0 1 EEAF COC(=O)[C@@H]1SC[C@H](C)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454245 VTFJAUVPOVWQGS-PTSXTCFPSA-N 334.393 2.106 0 1 EEAF Oc1ccc(C2(c3nc4c(O)nc(S)nc4[nH]3)CCOCC2)cc1 586914162 VBFRAQSPAMSNFT-UHFFFAOYSA-N 344.396 2.149 0 1 EEAF COc1cc2c3c(c1)O[C@]1([C@H]4[C@@H]5[C@@H]6[C@H]7C[C@@H]5[C@@H]1[C@H]7C(=O)[C@H]64)[C@@H](C2)C3=O 587446975 JHPDOUQWYHKSFC-BKLQHLMCSA-N 334.371 2.138 0 1 EEAF COC(=O)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)s1 962903449 UWZYJMWKRORTGS-SMDDNHRTSA-N 335.356 2.362 0 1 EEAF CNC(=O)c1n[nH]c(C)c1-c1ccc2c(NC(=O)OC)noc2c1 1772607740 GTFOAEHZHGZMML-UHFFFAOYSA-N 329.316 2.064 0 1 EEAF Cc1c(C(=O)O)c[nH]c1/C=C1\C(=O)Nc2ccc(NC(N)=O)cc21 14962637 HTFVUONILLSIET-YHYXMXQVSA-N 326.312 2.005 0 1 EEAF CN(C)c1ccc(-c2cc3ncccc3c(NC[C@H](O)CN)n2)cc1 13489189 XLZKRUWEKNKABO-OAHLLOKOSA-N 337.427 2.094 0 1 EEAF COC(=O)[C@@H]1C[C@]23C=CCN4C[C@H]([C@@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@@H]43 1704487 AXEOWLVNPZQDNZ-AFLQCFIWSA-N 336.435 2.418 0 1 EEAF CCc1nn(C)c(C(=O)NCc2ccc([S@](C)=O)cc2)c1Cl 103196442 ZPOUPQBWHUVYIL-JOCHJYFZSA-N 339.848 2.303 0 1 EEAF CC(=O)NCCNc1nc2cc(-c3ccccc3)sc2c(=O)n1C 61906071 QDRBHUCVIWECQX-UHFFFAOYSA-N 342.424 2.210 0 3 EEAF COC(=O)c1ccc2nc(CO[C@@H]3CN(C(C)C)C[C@@H]3F)[nH]c2c1 2356568205 HNISLMDYBKKJQI-SWLSCSKDSA-N 335.379 2.297 0 1 EEAF CCCCC[C@@H]1CCC[C@H](O)C[C@H](O)C[C@H](O)CC=CC(=O)O1 2356788691 CIKXQDGRSUPQKJ-VVLHAWIVSA-N 328.449 2.472 0 1 EEAF COc1cc(NC(=O)c2ccn3ccnc3n2)cc(OC)c1OC 74388067 VUSGFHNMCFBYRY-UHFFFAOYSA-N 328.328 2.007 0 1 EEAF COc1ccc(CN2CCc3cc(OC)c(O)cc3[C@@H]2CO)cc1O 15273884 KASWWLAVGKFTQB-HNNXBMFYSA-N 345.395 2.207 0 1 EEAF biogenic Clc1ccc2c(NC3=NCC[C@@]4(CN5CCC4CC5)O3)ncnn12 210878702 YKYKHUBLLYNPDU-INIZCTEOSA-N 346.822 2.035 0 1 EEAF CCCCOCCCNC(=O)CN(C)C(=O)c1csc(CC)n1 82073765 HMPFMDXCAIINRE-UHFFFAOYSA-N 341.477 2.101 0 1 EEAF CCn1cc(-c2cccc3nc(Nc4ccnc(CO)c4)nn23)cn1 96282537 IHOZCQOCOSYTJT-UHFFFAOYSA-N 335.371 2.244 0 1 EEAF CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCCN(C)C)C[C@H]1C(C)C 30880333 MOSKAHDRDSYXQM-BZSNNMDCSA-N 337.508 2.045 0 1 EEAF biogenic COc1ccc2c(c1OC)[C@]1(CCN(C)C[C@@H]1CCO)N(C)[C@H](C)C2 962641639 SYSJAVWRLFBTHW-PTSWNOGYSA-N 348.487 2.110 0 1 EEAF CCO[C@H](C)n1nccc1[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962909061 VVRHWVITLZWQLS-FUEDEBDSSA-N 333.363 2.266 0 1 EEAF CC(=O)N1CCC([C@@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1 203782340 TZLKQKCGJBWURI-MJGOQNOKSA-N 325.412 2.462 0 1 EEAF CCCCC[C@H](O)[C@@H](O)C[C@H](O)[C@H](O)CCCCCCCC(=O)O 5103928 VJOGZGLNDROOFS-YVSFHVDLSA-N 348.480 2.216 0 1 EEAF COc1ccc2cccc(CCNC(=O)N3CCN(C)CC3)c2c1 169312006 GRDMMXFXACGSOC-UHFFFAOYSA-N 327.428 2.348 0 1 EEAF Cc1ccccc1OC[C@@H](O)CNCC[S@](=O)c1ccccc1 169332223 TULFHTJOLUPJCH-HJPURHCSSA-N 333.453 2.132 0 1 EEAF CCOc1sc2nc(C)n(CC(=O)N(CC)CC)c(=O)c2c1C 211820 VFMPEPNDZDCQDS-UHFFFAOYSA-N 337.445 2.342 0 1 EEAF Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(C(=O)NC(C)C)C2)C1 3955960 RHRLMSKVAALORG-GOSISDBHSA-N 348.447 2.338 0 1 EEAF COc1ccc(-c2nc3cc[nH]cc-3n2)c(OCC[S@@](C)=O)c1 100971125 OKTSOQQZRIPSMB-QHCPKHFHSA-N 331.397 2.342 0 1 EEAF c1cnc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc2c1 103255544 LCKAQBVCMNLBPK-UHFFFAOYSA-N 332.367 2.405 0 1 EEAF C[C@@H]1C[C@@H](C)CN(C(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)C1 103711252 OVDNFLVUHFWXBV-CHWSQXEVSA-N 338.411 2.334 0 3 EEAF CC(=CCc1c(O)cc2c(c1O)C(=O)NC2=O)CCC=C(C)C(=O)O 2356721948 UCVWIZICIZWNPQ-UHFFFAOYSA-N 345.351 2.281 0 1 EEAF C[C@@]1([C@@H](O)CO)C=C2CC[C@@H]3[C@@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@H]2CC1 70455261 MXHRQWXLVXRIMG-JZEPMIPJSA-N 338.488 2.252 0 1 EEAF biogenic,in-vitro O=C(NN1C(=O)CCS[C@H]1c1ccc(O)cc1)c1ccncc1 84602734 AIUPJWZQSJTDQE-INIZCTEOSA-N 329.381 2.096 0 1 EEAF CC(C)[C@H]1OC(=O)C=C2[C@@]3(C)C=CC[C@]4(C)C(=O)O[C@@H]([C@H]34)[C@H]3O[C@]213 238780322 BPKZEVWJRJYUOW-DXNUVPBBSA-N 330.380 2.160 0 1 EEAF CCCOC[C@H]1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 95508182 GNQWCKIUKMJJJA-LBPRGKRZSA-N 346.349 2.142 0 1 EEAF COC(=O)c1ccc(-n2c(OC)ccc2OC)c(O[C@@H]2CCOC2)c1 587925283 QVKOSHOAXOMWMM-CYBMUJFWSA-N 347.367 2.449 0 1 EEAF O=C1CSc2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc2N1 587043222 JDVRXEGPBHKJMP-UHFFFAOYSA-N 349.379 2.250 0 1 EEAF Sc1nc(S)c2nc(CSc3nnc(S)s3)[nH]c2n1 587024976 HKAVHFAOQCHUAW-UHFFFAOYSA-N 346.513 2.363 0 1 EEAF C[C@@H](Sc1ncccn1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586963744 OHVUGXXGMRSBQC-MRVPVSSYSA-N 336.398 2.453 0 1 EEAF CC(C)CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2C)C1=O 16043123 QBTWTINDWOTION-MLGOLLRUSA-N 325.412 2.480 0 1 EEAF biogenic CN(Cc1ccccc1)c1ccc(C(=O)N[C@H]2CCN(C#N)C2)cn1 1857580247 GSSYGNRWGKCRDC-KRWDZBQOSA-N 335.411 2.003 0 1 EEAF CCCCn1cc(C(=O)O)c(=O)c2c(F)cc(N3CCOCC3)cc21 1857744553 HVRSKNGJPMKQKE-UHFFFAOYSA-N 348.374 2.476 0 1 EEAF O=C1NCCn2c(-c3cc4c(s3)CNCC4)nc3cc(F)cc1c32 1857765478 BVEJDOKUOZXSCO-UHFFFAOYSA-N 342.399 2.293 0 1 EEAF CC(=O)c1ccc(OCC(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)cc1 102095706 HGGHMLJLPIMLMY-CHIVTJRZSA-N 343.423 2.324 0 1 EEAF O=C(NCC1CCCCC1)c1nc(-c2cccnc2)nc(O)c1O 1911574389 WSRKXOBFNBJOTH-UHFFFAOYSA-N 328.372 2.260 0 1 EEAF COC(=O)c1ccc2nc(CO[C@@H]3CN(CC4CC4)C[C@@H]3F)[nH]c2c1 2356302363 SVIYMOSQFPRCCU-XJKSGUPXSA-N 347.390 2.298 0 1 EEAF CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)c(N)c1)C(=O)O 28563331 YEKGSQOVPVQUAB-MRXNPFEDSA-N 348.424 2.323 0 1 EEAF NCCCCN(Cc1nc2ccccc2[nH]1)Cc1ncccc1O 66076850 JJGIMBLFDDBAOR-UHFFFAOYSA-N 325.416 2.405 0 1 EEAF Nc1ccc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c[nH]c2n1 28526138 TVYCDYDWZLPFMY-UHFFFAOYSA-N 328.759 2.089 0 1 EEAF COc1ccc2c(c1)[C@@H]1C(C)=c3ccc(OC)c(OC)c3=CN1CC2 2356857157 SGYJMIXJDJFYLU-FQEVSTJZSA-N 337.419 2.234 0 1 EEAF C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@H](c1ccco1)OC2=O 5528451 SRWVDIYIPNHTQO-DZJXOZEUSA-N 344.363 2.287 0 1 EEAF biogenic COc1cccc2n1cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C 49036557 NRURFBIGISKRGS-UHFFFAOYSA-N 326.376 2.500 0 1 EEAF COC(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2n1 586968035 JKCQUFXWZDQQMY-UHFFFAOYSA-N 344.352 2.130 0 1 EEAF Nc1c(F)c(F)cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1F 587136470 IEFRTAMYXDNSQX-UHFFFAOYSA-N 343.286 2.476 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(N)=O)cc1)[C@@H](C2)C3=O 587433996 YWFAWXWTTVLFDY-LIRRHRJNSA-N 339.347 2.048 0 1 EEAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cnnc(O)c2[nH]1 587080263 OGYMMOLNZHPFFS-JTQLQIEISA-N 328.763 2.436 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN)(CCC(=O)O)N1 587750351 SZEPBUNZXZIHLG-RMLUDKJBSA-N 345.212 2.141 0 1 EEAF CC(=O)c1ccc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc2c1 586929904 IDZJIAXFVCKMFB-UHFFFAOYSA-N 329.381 2.221 0 1 EEAF CCO[C@@H](C)n1nccc1[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962909063 VVRHWVITLZWQLS-JMPLFQLZSA-N 333.363 2.266 0 1 EEAF COc1cnc([C@@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)cn1 963610284 OVVVUWWMRIFDLE-ADLMAVQZSA-N 329.400 2.300 0 1 EEAF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ncn1 962955210 KEPZWZWAGDYLBF-BXUZGUMPSA-N 339.729 2.405 0 1 EEAF Cc1nc2c3ccccc3n(CC(=O)c3ccc(F)cc3)c(=O)n2n1 5035631 HUGIZPPBNQJACS-UHFFFAOYSA-N 336.326 2.375 0 3 EEAF aggregator Cc1ccc2c(c1)COc1c3ccc(C(=O)N[C@@H](C)CO)cc3nn1-2 13657627 COSCCPQWPLNIIT-LBPRGKRZSA-N 337.379 2.337 0 3 EEAF COc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@@H](C)C[C@@H]2O)ccc1O 2356358077 WYRGHFKMUBYIDM-ZYUBPSHWSA-N 334.412 2.227 0 1 EEAF C#Cc1cccc(Nc2ncnc3ccc(OCC(=O)NO)cc23)c1 59149022 PKUBGFDWZUYOCL-UHFFFAOYSA-N 334.335 2.239 0 1 EEAF COC(=O)C[S@](=O)C[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 28461647 SVDJATZZTSSCDA-IEROGBPDSA-N 343.876 2.297 0 1 EEAF CCCc1ccc(-c2cc(OC)cc(C(=O)Nc3nnn[nH]3)n2)cc1 29314290 DHMMJOIAOUFEAF-UHFFFAOYSA-N 338.371 2.475 0 1 EEAF CCCn1c(O[C@@H]2CCOC2)nc2nc(C3CCCC3)[nH]c2c1=O 117384663 HGBALQZFPNYGFN-GFCCVEGCSA-N 332.404 2.355 0 1 EEAF O=C(O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O 29316200 FHHVMVKHXJMNJE-OAHLLOKOSA-N 335.296 2.074 0 1 EEAF Nc1ncnc2c(CN3C[C@H](CC4CCCCC4)[C@@H](O)C3)c[nH]c12 64564752 ILPFWLXPQUHHBC-ZFWWWQNUSA-N 329.448 2.303 0 1 EEAF CCOC(=O)[C@@]1(CCC2OCCO2)CC[C@@]2(c3ccccc3)ON12 26486656 AFWVTQZWHYYGPD-YTYFACEESA-N 333.384 2.335 0 1 EEAF CN1C(=O)[C@@H](Cc2c[nH]c3c(Br)cccc23)NC1=S 28526222 GTTGCEYJZBVWQQ-SNVBAGLBSA-N 338.230 2.188 0 1 EEAF CC(=O)NCCNc1nc(-c2sc(NC(C)=O)nc2C)cs1 135899751 BRWYHLMJQXLYCX-UHFFFAOYSA-N 339.446 2.081 0 1 EEAF OCC[C@@H]1CN(Cc2ccccn2)CCN1Cc1ccc(F)cc1 96791705 OOQAVJZCFIKHRF-LJQANCHMSA-N 329.419 2.290 0 1 EEAF COc1ccc(CNS(=O)(=O)C[C@@H]2NCCc3ccccc32)cc1 96019112 SXAYKLPWBGULMA-SFHVURJKSA-N 346.452 2.002 0 3 EEAF O[C@@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 253660869 STBHTUOPFMOXDX-XAMWDVODSA-N 341.407 2.387 0 1 EEAF Cc1cccc(C(=O)N2CCCC[C@H]2c2[nH]ncc2S(C)(=O)=O)c1 299850781 OEGQATKLFBWPEF-AWEZNQCLSA-N 347.440 2.489 0 1 EEAF O=C(c1ccnnc1)N1C[C@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@@H]2C1 299843621 VBSIOLKFNFOCMM-BPLDGKMQSA-N 342.424 2.413 0 1 EEAF O[C@H](c1nc2c(F)cnc(Br)c2[nH]1)C1CCOCC1 586914261 YPBBXUYDLOEYAX-JTQLQIEISA-N 330.157 2.320 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Cl)c1)(C(O)O)O2 587377822 KIHSUZMJGFDMOE-KRWDZBQOSA-N 333.771 2.402 0 1 EEAF Oc1nc(O)c2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2n1 587003892 OYWRZYGFUXGOAK-UHFFFAOYSA-N 347.132 2.070 0 1 EEAF COC(=O)[C@H]1COCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529991 AGHWTICXVDPEGK-BEFAXECRSA-N 330.380 2.479 0 1 EEAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(N)cc3)c(CC(=O)O)c2c1 587649803 BVFLPRASVPBQDJ-UHFFFAOYSA-N 344.392 2.448 0 1 EEAF CC1=C[C@]2(CC(=O)N1C1CC1)NC[C@@H]1CC(=O)N(C)c3cccc2c31 963038557 ZGIAGOFAASJTQM-RNODOKPDSA-N 337.423 2.234 0 1 EEAF CC(C)(CO)CNC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1 13755844 GEYGKLXGCKUOLL-INIZCTEOSA-N 348.443 2.312 0 1 EEAF COC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)c1cc(C)nn1C)c1ccccc1 6233279 KPHPJALIQGOQTH-FMKPAKJESA-N 327.384 2.009 0 1 EEAF CN1C(=O)CC[C@H](Cc2ccc(I)cc2)C1=O 28009494 PPWPYZXAZABBEZ-SNVBAGLBSA-N 343.164 2.229 0 1 EEAF CS(=O)(=O)c1ccc(C(=O)c2ccc3n2CCC[C@H]3C(=O)O)cc1 25988656 VGTNPOYXDZICHT-CYBMUJFWSA-N 347.392 2.085 0 1 EEAF C[C@@H]1O[C@H](C=C=CBr)[C@H]2C=CCC(=O)CC[C@H](O)[C@H]1O2 2356824449 GUWDQBAYXQDWME-QDEJCKROSA-N 343.217 2.261 0 1 EEAF Cc1n[nH]c2c1[C@@H](c1cncc(Br)c1)C1=C(COC1=O)N2 71295213 GXSDCHIBIZUEPB-LLVKDONJSA-N 347.172 2.244 0 1 EEAF CC1(C)[C@H](O)CC[C@@]2(C)[C@H]3CC[C@](C)([C@@H](O)CO)C=C3[C@@H](O)C[C@@H]12 70455258 BIPACBIPISLDRK-DEQFUCTLSA-N 338.488 2.250 0 1 EEAF biogenic,in-vitro CO[C@H]1C=CC2=CCN3CCC(=O)c4cc5c(cc4[C@]23C1)OCO5 14692294 DOJXTMYNRCGFBG-DJJJIMSYSA-N 325.364 2.414 0 1 EEAF biogenic CC(C)N1CCN(C(=O)OC2CCN(c3cncs3)CC2)CC1 223508393 IHTVRUMYBYHNAK-UHFFFAOYSA-N 338.477 2.275 0 1 EEAF COc1ccc(CNS(=O)(=O)C[C@@H]2NCc3ccc(C)cc32)cc1 96020238 SPXZCZAICDPMJJ-SFHVURJKSA-N 346.452 2.268 0 3 EEAF N[C@@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@H]1c1ccccc1F 587155448 YWBDFFVPPNICTG-SJCJKPOMSA-N 335.346 2.019 0 1 EEAF CCOC(=O)[C@]1(c2cnn(CC)c2)CC(=O)c2cc(C)cc(N)c2O1 587389530 BGKVUIYEEDVYSD-GOSISDBHSA-N 343.383 2.217 0 1 EEAF CCOC(=O)[C@]1(c2c(C)cccc2C)c2c(cnn2C)CCN1C 963954943 NCTRVUJOLDMMBP-IBGZPJMESA-N 327.428 2.332 0 1 EEAF CC1(C)[C@@H]2OCC[C@@H]2[C@@]12c1c3c(cc4c1OCCO4)CC(=O)N2CC3 963269952 NAKGXZSZKKHKIF-CYFNAFFESA-N 341.407 2.039 0 1 EEAF COC(OC)[C@@]1(C(C)C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963225382 JYVKOEBRQZZODY-APWZRJJASA-N 344.411 2.304 0 1 EEAF COC(=O)[C@H](CC(=O)c1ccc(Br)cc1)n1cncn1 16844439 QJDDLTVJPKZADC-NSHDSACASA-N 338.161 2.028 0 1 EEAF O=C(CCN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Oc1ccccc1 169295072 LSSXITVLSRQODU-DFYGGBHCSA-N 337.375 2.035 0 1 EEAF CC(C)Oc1cccc(-n2nnc3c(=O)[nH]c(-c4ccncc4)nc32)c1 169346584 FLBLKGCJNBHGDN-UHFFFAOYSA-N 348.366 2.353 0 1 EEAF CC1(C)[C@@H](c2ccc(F)cc2)[C@H]1C(=O)NCCCN1CCOCC1 1857642381 MBVYHIXMRGJYRI-IRXDYDNUSA-N 334.435 2.404 0 1 EEAF C[C@@]12C(=O)N(CCN)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 1620036 BWXOIMSWNBJEFJ-XVAHUTHZSA-N 332.403 2.227 0 1 EEAF O[C@@H]1C[C@@H]2CC[C@H]3N4[C@@H]2[C@@H](CO[C@H]4[C@@H]2CCC[C@H]4CCCN3[C@H]42)C1 2356390103 QGSCHHAXALLULW-ZWBZMTJVSA-N 332.488 2.415 0 1 EEAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 2356291267 PDCBYDDYZVINDH-VQHPVUNQSA-N 349.519 2.310 0 1 EEAF COc1cccc(-c2cc(Cl)cc(C(=O)Nc3nnn[nH]3)n2)c1 29319061 PKZNXYVACSJQOB-UHFFFAOYSA-N 330.735 2.176 0 1 EEAF COc1ccc(C2=NN(CC(=O)O)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26508061 UVCNSYMHHFIGSV-STQMWFEESA-N 346.383 2.141 0 1 EEAF COC(=O)[C@@H]1[C@H]2[C@@H]3C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]34 2356558444 AIOHHTSDUPUMNK-GELVLFEKSA-N 336.435 2.418 0 1 EEAF C[C@]12CCCC(CO)(CO)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 504348371 OSDMCLGYBVZLJQ-ZMYBMPLZSA-N 338.488 2.087 0 1 EEAF biogenic O=C1N[C@@H]2CCN(C(=O)C3CCCCC3)[C@@H]2C(=O)N1c1ccccc1 4260632 KUVAXCRZTOURDU-CVEARBPZSA-N 341.411 2.293 0 1 EEAF biogenic Cc1cccc2nc(-c3cccnc3N3CCN(C)CC3)oc(=O)c12 43067887 ZWESQOOMHYUWCU-UHFFFAOYSA-N 336.395 2.310 0 1 EEAF COc1ccc(C(=O)O)c(O[C@H]2CC[C@H]3CN[C@H](C(=O)O)C[C@H]3C2)c1 96939191 AHIJIBOKALRNIA-WJNVRWDZSA-N 349.383 2.004 0 1 EEAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 299882498 PWBQLCUKFHNBBC-RPVQJOFSSA-N 341.411 2.438 0 1 EEAF CCCCS(=O)(=O)N[C@@H](c1nc2ccnc(OC)c2[nH]1)C(C)C 586932587 HLORGXFVAMHVNZ-GFCCVEGCSA-N 340.449 2.383 0 1 EEAF N=c1[nH]c2nc(/C=C/C(=O)Nc3ccc(F)cc3)nc-2c(Cl)[nH]1 587166258 ATSACPSQPCIETD-AATRIKPKSA-N 332.726 2.161 0 1 EEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586962050 NXUDKWSVFYHDAV-YFKPBYRVSA-N 343.372 2.076 0 1 EEAF Nc1ncnc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12 587162307 VJLMOBPTKMZQTD-UHFFFAOYSA-N 344.741 2.034 0 1 EEAF CSCCCNC(=O)c1csc(-c2c[s+]c(CCN)[nH]2)n1 17220556 LTTLUZGLKHQNEK-UHFFFAOYSA-O 343.523 2.465 0 1 EEAF COc1ccc(OC)c([C@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@H]32)c1 1857612770 MDCZNDHPKMYHDZ-LSDHHAIUSA-N 327.340 2.126 0 1 EEAF C[C@]12C(=O)O[C@@H]3C[C@@H]4c5occc5C(=O)C[C@@H]4[C@@]4(CC[C@@]1(O)OC4)[C@@H]32 2356335740 CBUZTSOSSFLWTE-YMKRJEEUSA-N 344.363 2.016 0 1 EEAF COC(=O)/C=C\NC(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1 102809553 UJECFLWSXCNVMR-FPLPWBNLSA-N 337.335 2.335 0 1 EEAF COc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncn1 117317584 UDASCRQLXCMEDD-LLVKDONJSA-N 330.363 2.229 0 1 EEAF Cc1c2c(=O)n(-c3nc(-c4ccccc4)cs3)[nH]c2cc(=O)n1C 64436717 IVVYYDQEOSJUJU-UHFFFAOYSA-N 338.392 2.449 0 1 EEAF C=C(C)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]21 13325235 IXOAQFFFKPCXLB-DOMSKWNOSA-N 332.396 2.165 0 1 EEAF biogenic CC(C)[C@H]1[C@@H](O)[C@@H](O)C2=C3OC(=O)C4=C3[C@@](C)(CC[C@@H]4O)CC[C@@]21C 84713783 SCJWRCCFAICMEA-MDPCNXPSSA-N 348.439 2.063 0 1 EEAF COC(=O)[C@H]1C[C@]23C=CCN4C[C@@H]([C@@H]2C)[C@]2(c5ccccc5N[C@H]12)[C@@H]43 195427351 AXEOWLVNPZQDNZ-TUDFKQTGSA-N 336.435 2.418 0 1 EEAF COc1ncccc1CN1C[C@H]2COC[C@@]2(COc2cccnc2)C1 299842039 BVDJUYXFDSSPGP-QFBILLFUSA-N 341.411 2.013 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)O)cc2[nH]1 587232322 WSXQJMNDPXFJNK-CHWSQXEVSA-N 345.399 2.298 0 1 EEAF O=C(CN1CCN2CCC[C@@H]2C1)n1nc2cc1Oc1ccc(F)cc1-2 587877088 ZTUOGGIKFRGLGF-CYBMUJFWSA-N 342.374 2.215 0 1 EEAF Cc1nc2[nH]c([C@H](O)C3CCOCC3)nc2cc1Br 586912456 DFPUVJPLOXHJRT-LLVKDONJSA-N 326.194 2.489 0 1 EEAF COc1ccc2c(c1OC)[C@](C)(CN1CCN(C)CC1)N(C)[C@H](C)C2 962642185 YRDMYKIQFUAJSJ-QRWLVFNGSA-N 347.503 2.043 0 1 EEAF c1cnc(NCC2CCN(C[C@@H]3COc4ccccc4O3)CC2)nc1 13799873 OLBKIOIWVFSFFV-MRXNPFEDSA-N 340.427 2.441 0 1 EEAF O=c1n(CCCN2CCCCC2)c(O)c2n1Cc1ccccc1C2 169718922 XHTSYUGYMGZJHN-UHFFFAOYSA-N 327.428 2.184 0 1 EEAF COc1ccccc1-c1ccc(Nc2cc(=O)n(O)c(=O)n2C)cc1 1857544647 DJVWZGKDOOLMQH-UHFFFAOYSA-N 339.351 2.204 0 1 EEAF CC(C)N1C(=O)N(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)[C@@H]2C=CC=C[C@@H]21 1857604061 RBZWLTFAHPUPNO-LDBYLJPUSA-N 344.459 2.330 0 1 EEAF COc1ccc(OC)c([C@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@@H]32)c1 1857612768 MDCZNDHPKMYHDZ-GJZGRUSLSA-N 327.340 2.126 0 1 EEAF CC[C@H](C(=O)NC(C)C)n1c2ccccc2c2nc(=O)cc(C)n21 6795078 MTFAVKKRLYEOKC-CQSZACIVSA-N 326.400 2.433 0 1 EEAF c1ccc(CN2CCN(Cc3ccccc3)[C@H](C3=NCCN3)C2)cc1 55906551 LWONSXGMCCEMHH-FQEVSTJZSA-N 334.467 2.375 0 1 EEAF CNC(=O)c1ccc(C)c(NC(=O)c2cnc(NCCOC)s2)c1 29041402 KDLHBWKPZPMEHM-UHFFFAOYSA-N 348.428 2.122 0 1 EEAF CCOC(=O)c1cc(-c2ccc(NC(=O)CCCC(=O)O)cc2)[nH]n1 72126935 FHCMZYDXDQNLGO-UHFFFAOYSA-N 345.355 2.447 0 1 EEAF CC(=O)c1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 71295955 WOEGIMHRZSPXAC-UHFFFAOYSA-N 335.820 2.401 0 1 EEAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cn[nH]c3)n2n1 40901526 PYJIWMKLCWHPPF-UHFFFAOYSA-N 348.370 2.323 0 1 EEAF COc1cc(C#N)cc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1 224873173 GAMPREVSPQKZEE-UHFFFAOYSA-N 335.367 2.342 0 1 EEAF COC(=O)[C@H]1CN(C(=O)CC(C)(C)C)CCN1C(=O)CC(C)(C)C 25231109 LFVSODKHXHCIEX-CYBMUJFWSA-N 340.464 2.071 0 1 EEAF biogenic CN(CCOc1ccc([C@@H]2NC(=O)CS2)cc1)c1ccccn1 96906742 QGQRIRIWKLXDGX-QGZVFWFLSA-N 329.425 2.458 0 1 EEAF C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12[C@@H](O)OC[C@@H]1C(C)(C)CC[C@@H]2OC3=O 653739747 KUYKREFAEVXJRQ-QAMGYKRMSA-N 348.439 2.305 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)C2=O)N1 587764890 AHDHDOZWQPGGLL-XLKFXECMSA-N 327.197 2.180 0 1 EEAF CC1(C)CNC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587597767 WFBLPCBPWHNZTE-KUHUBIRLSA-N 339.347 2.249 0 1 EEAF C=CN1CC[C@@H]([C@]2(c3ccccn3)NCCc3c(C)ccnc32)C1=O 963094577 YROZGLFSQBLNOD-OXQOHEQNSA-N 334.423 2.166 0 1 EEAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C(N)=O)c1c(C)nn(C)c1C 963244635 XDTUKXMKJCKWNY-ZUOKHONESA-N 340.471 2.422 0 1 EEAF CC(C)S(=O)(=O)c1cccc([C@@H]2c3nn(C)cc3CCN2C)c1 963956567 YNQZXNHERSWFOY-QGZVFWFLSA-N 333.457 2.180 0 1 EEAF CCOc1ccc([C@H]2C[C@@H](C3C(=O)N(C)C(=O)N(C)C3=O)N=N2)cc1 169689335 ZYGJXDBRGIWLED-OLZOCXBDSA-N 344.371 2.018 0 1 EEAF OC[C@@H](NCCc1cccc(O)c1)c1ccc(O)c2nc(O)ccc12 1857770565 QBNXRFIXUNPQJO-MRXNPFEDSA-N 340.379 2.217 0 1 EEAF COc1cc2c3c(c1OC)-c1ccccc1[C@@H]1C(=O)C(=O)N(CC2)[C@@H]31 2356401168 VHCGUBVZFHGPAY-IRXDYDNUSA-N 335.359 2.477 0 1 EEAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4occc4C)C[C@@H]3C2)n1 116823802 KAKQLZPCIDXJDG-HUUCEWRRSA-N 326.400 2.203 0 1 EEAF COc1ccc(NC(=O)/C=C/c2ccccc2OC)c(C(N)=O)c1 96923725 IBBGALVVPWZGNP-JXMROGBWSA-N 326.352 2.455 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(NN)n1 587871676 MWXGQWPQMGHLJW-UHFFFAOYSA-N 341.346 2.457 0 1 EEAF CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2c1ccc2c(O)nc(O)nc2n1 587557538 JWJWYHRPQDZOIS-FXAINCCUSA-N 344.371 2.159 0 1 EEAF Cc1cc2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2c(C)n1 586951431 NIRJVVUXRLFQNC-UHFFFAOYSA-N 337.430 2.378 0 1 EEAF CCOC(=O)[C@H]1CNCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522149 DRSSNCBUXZSLMS-UZLBHIALSA-N 343.423 2.442 0 1 EEAF O=S(=O)(O)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 586899237 NQXKXMYCVOGADJ-UHFFFAOYSA-N 336.413 2.394 0 1 EEAF C[C@@H]1CCc2nn(CC(=O)NCc3ccc4c(c3)OCO4)cc2C1 5148310 AIIGNIFYOFWJCG-GFCCVEGCSA-N 327.384 2.053 0 3 EEAF NC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCc1n[nH]cc1-2 14945800 MHDFKOBMOQJFBJ-UHFFFAOYSA-N 347.300 2.479 0 1 EEAF CS(=O)(=O)c1ccc(-c2cncc3sc(C(N)=O)cc23)cc1 63298476 OIDZQWOKVFYZSD-UHFFFAOYSA-N 332.406 2.466 0 1 EEAF O=C(O)COc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12 473110376 VSRFMHNVKHQILW-UHFFFAOYSA-N 328.276 2.335 0 1 EEAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H](c3ccc4c(O)nc(O)nc4n3)[C@@H]2C1 587558975 VOQIEHHFZSOGTL-PEGIJTEDSA-N 344.371 2.016 0 1 EEAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cnn(C)c1)[C@@H](C2)C3=O 587430811 HJHSFCJLSONENX-IDVWOMCOSA-N 339.395 2.147 0 1 EEAF N=C(N)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586924688 UDJJOXGJTZPLSN-CMDGGOBGSA-N 326.381 2.292 0 1 EEAF COC1CCC2(CC1)Cc1ccc(Cl)cc1[C@@]21N=C(N)N(C)C1=O 201244460 KDGMQARLBRAYHW-SYGMWZTRSA-N 347.846 2.454 0 1 EEAF O=S(=O)(Cc1cccc(C(F)(F)F)c1F)c1ccc(O)nn1 11536175 RGDMVBBLCMCNIE-UHFFFAOYSA-N 336.266 2.314 0 1 EEAF COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C[C@H](OC)O[C@@H]1O2 13308646 QKCJGDIUSFKBPI-SAROORQHSA-N 344.319 2.125 0 1 EEAF endogenous,in-man C[C@@]1(CO)[C@H]2CC=C3[C@@H]4OC[C@@]5(O)CC[C@]3(C[C@@H]45)[C@]2(C)CC[C@H]1O 2356323697 FEZMGCSWYJJOCN-FHSCCLLOSA-N 334.456 2.022 0 1 EEAF O=C1CC[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 29234664 XNXORWDKIQPSNX-BBNYVJOESA-N 325.408 2.411 0 1 EEAF CC(C)[C@H](O)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26004662 WVTFOPNSTSYIHT-UONOGXRCSA-N 330.215 2.490 0 1 EEAF COC1=C[C@]2(CCC1=O)C[C@@H]1c3c(cc(OC)c(O)c32)CCN1C 14618498 MHXSUTPVPBOLJW-BLVKFPJESA-N 329.396 2.465 0 1 EEAF biogenic Cc1ccc(N2C(=O)NC[C@H](C(=O)N3CCc4ccccc43)C2=O)cc1 198117253 JFWGIWIMUHKOKL-MRXNPFEDSA-N 349.390 2.257 0 1 EEAF CCN1C(=O)NC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 95566098 YZEZNZGQOXRCQI-JTQLQIEISA-N 349.740 2.389 0 1 EEAF COc1cc(Cn2cnc3c(N)nc(N)nc32)c(C(C)C)cc1OC 96272715 NLIDFIWFNOXGDL-UHFFFAOYSA-N 342.403 2.180 0 1 EEAF c1cc(N2CCNCC2)ccc1-c1cnc2c(-c3cn[nH]c3)cnn2c1 96270776 WMTXIPYJYDISKM-UHFFFAOYSA-N 345.410 2.196 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2nc3cc(CCO)ccc3[nH]2)cc1 586951332 WTONBYKVESHGTC-UHFFFAOYSA-N 331.397 2.136 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(Cl)ncnc2[nH]1 587231575 PHYMRZPXCPDAKS-UWVGGRQHSA-N 337.811 2.043 0 1 EEAF CCOC(=O)Cn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587392667 VDWFLJBWASEVCE-HNNXBMFYSA-N 329.356 2.043 0 1 EEAF Cc1c(O)ccc2c1[C@](C)(c1cc(F)ccc1N)N[C@H](C(=O)O)C2 963506798 GBFORXVYXWSPPV-KSSFIOAISA-N 330.359 2.284 0 1 EEAF CCCCn1c(C)c(CC(=O)N[C@H]2CCOC2=O)c2c1CCCC2=O 12210449 OBIFBYMQZZHZKO-AWEZNQCLSA-N 346.427 2.090 0 1 EEAF COc1c(O)c2c3c(c1OC)CCN=C3[C@@](C)(O)c1cc(O)ccc1-2 15265675 ZPJUVCHBOXPZSP-IBGZPJMESA-N 341.363 2.348 0 1 EEAF biogenic Nc1ccc(S(=O)(=O)NC(=O)c2cccc(C(F)(F)F)c2)cc1 169318049 SNBSDNDUXQECEX-UHFFFAOYSA-N 344.314 2.406 0 1 EEAF COc1ccccc1OCCCNC[C@H](O)COc1ccccc1 169328081 LXIBJWCLTBUHKI-INIZCTEOSA-N 331.412 2.494 0 1 EEAF CCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC 169690583 WVCFUNXSAZIWJA-HUUCEWRRSA-N 344.371 2.170 0 1 EEAF COc1cccc(NC(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)c1 3392037 IUFAFEMLVYPEQT-SFHVURJKSA-N 347.415 2.380 0 3 EEAF N[S@](=O)Oc1cc(C(=O)O)c(NCc2ccco2)cc1Cl 4475230 PJALBCRHHXTHAF-NRFANRHFSA-N 330.749 2.160 0 1 EEAF COc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(OC)c2)cc1 1857771311 JFGXRBQRBYZERY-UHFFFAOYSA-N 342.395 2.310 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1CN(C3)C2 101022737 LBXVOPLYLDLZEV-RTAUVCMUSA-N 335.835 2.001 0 1 EEAF NS(=O)(=O)c1ccc2[nH]c3c(c2c1)Cc1c(C(=O)O)cccc1-3 26176558 IOTMGRFPHYQTAO-UHFFFAOYSA-N 328.349 2.085 0 1 EEAF Cc1nnc(S(=O)(=O)CC(=O)C23CC4CC(CC(C4)C2)C3)s1 117053074 CWPSZXMKNRSDAV-UHFFFAOYSA-N 340.470 2.406 0 1 EEAF COCCNC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccccc2)CC1 61907940 YSQXCNSILSZTSX-FVNWOWOISA-N 330.428 2.091 0 3 EEAF CCCCN1C(=O)CN(CC2CCNCC2)C(=O)c2ccccc21 95563594 RCTFZMAOMODUIW-UHFFFAOYSA-N 329.444 2.275 0 1 EEAF NS(=O)(=O)c1cccc2nc(-c3csc4c3CCOC4)[nH]c12 587031851 MVWKAJNJAOGARY-UHFFFAOYSA-N 335.410 2.012 0 1 EEAF CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2ccc(S(C)(=O)=O)cc12 587650282 IMKRDMJQAYMHOK-UHFFFAOYSA-N 347.396 2.149 0 1 EEAF O=C(Nc1ccccc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652597 WFYJSTQGWUZJHS-UHFFFAOYSA-N 327.727 2.329 0 1 EEAF Cc1nc(N(C)C)ncc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 587194242 BFVBWPMVZGSHPS-UHFFFAOYSA-N 340.431 2.335 0 1 EEAF COc1cccnc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230968 RFVHRYWGSYILKC-NVXWUHKLSA-N 335.363 2.327 0 1 EEAF O=C(NCCN1CCC(Cc2ccccc2)CC1)[C@H]1CCCNC1 206495553 FJDSHJPNEQGFBA-IBGZPJMESA-N 329.488 2.057 0 3 EEAF CO[C@@H]1O[C@@H](O)[C@@H]2[C@H](C)N3[C@H]4C[C@H]2[C@@H]1[C@@H]3Cc1c4[nH]c2ccccc12 102033047 ALUUTSZMHKEPEI-MKDFAALESA-N 340.423 2.411 0 1 EEAF CCOC(=O)C[C@H](C)n1cc(C(=O)OC)c(CC)c1CC(=O)OC 28465855 VPESLDJAOYOCNZ-NSHDSACASA-N 339.388 2.067 0 1 EEAF CC(C)NC[C@@H](O)COc1ccc(OCn2cc(Cl)cn2)cc1 27557704 XBXCXVQUOJNTOG-CQSZACIVSA-N 339.823 2.311 0 1 EEAF COC1(CNC(C)=O)CCN(CCc2c[nH]c3ccccc23)CC1 27992213 WMSACGLWIQSGCB-UHFFFAOYSA-N 329.444 2.328 0 1 EEAF O[C@H]1C[C@@H](O)[C@@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]12 27894614 MORPIEPGKNRPKN-MDMSPXHWSA-N 334.412 2.142 0 1 EEAF CO[C@@H]1C=C[C@](C)(O)CCC(=O)O[C@H](C)[C@H](C)C[C@H](O)C=C1C 2356466016 OQBWAWZWLOIZFL-NDOBWRGRSA-N 326.433 2.368 0 1 EEAF COC(=O)[C@@H]1[C@H]2[C@@H]3C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@H]2C)[C@@H]34 2356558445 AIOHHTSDUPUMNK-JSOMKHIMSA-N 336.435 2.418 0 1 EEAF Cc1c(Cl)ccc2nc(CCc3nc(N4CCCC4)n(C)n3)nn12 210646382 APLVVHJNUUVGNY-UHFFFAOYSA-N 345.838 2.205 0 1 EEAF CNC(=O)[C@H]1C[C@H]1c1nc2cccc(I)c2[nH]1 587236353 VGYSMRDWMUIASC-RQJHMYQMSA-N 341.152 2.017 0 1 EEAF O=C1COc2cc3[nH]c(Cc4csc5nccn45)nc3cc2N1 587040801 QXUWBCGCTUSTII-UHFFFAOYSA-N 325.353 2.194 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)-c1c(O)ccc(Br)c1C3 587367385 WQTOITFXGYZDOC-UHFFFAOYSA-N 346.140 2.475 0 1 EEAF O=C1C[C@H](c2nc3ncc[nH]c-3n2)CN1Cc1ccc(F)cc1F 587151219 XJAPDHCMLAXTPW-JTQLQIEISA-N 329.310 2.099 0 1 EEAF COC(=O)c1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2n1 587021845 PWUFJBSDKUFOHK-UHFFFAOYSA-N 340.368 2.269 0 1 EEAF CS(=O)(=O)c1ccc(C2=C(c3cccc(O)c3)C(=O)OC2)cc1 13818525 JLEDIMWIHDETBJ-UHFFFAOYSA-N 330.361 2.263 0 1 EEAF CCCCC[C@@H](O)[C@H](O)C[C@@H](O)[C@@H](O)CCCCCCCC(=O)O 14761462 VJOGZGLNDROOFS-YYIAUSFCSA-N 348.480 2.216 0 1 EEAF COc1ccccc1CNc1nc2nc3c(c(O)n2n1)CCCC3 15668946 GIXORCLJEQNCCG-UHFFFAOYSA-N 325.372 2.329 0 1 EEAF O=C1C[C@@H](c2ncc(-c3ccc4c(c3)OCCO4)[nH]2)CN1C1CC1 19147461 AMEKLVUGPOEWQL-GFCCVEGCSA-N 325.368 2.326 0 1 EEAF COC[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 204414041 ZSRMLZRXUWZZKL-AWEZNQCLSA-N 341.333 2.259 0 1 EEAF c1cc(CN2CCN(Cc3ccncc3)[C@H](Cn3ccnc3)C2)ccn1 1857602171 DYWFWZJOOQZVMH-FQEVSTJZSA-N 348.454 2.060 0 1 EEAF CC(C)CCCCCCCOC(=O)C[C@@H](C(=O)O)S(=O)(=O)O 38654794 RHHCQDXPRDOJNA-LBPRGKRZSA-N 338.422 2.257 0 1 EEAF C[C@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3c(N)ccc4ncsc34)C(=O)[C@@H]12 101162427 WEVBOOVUWCNCML-ZWUPXRALSA-N 343.408 2.326 0 1 EEAF C/C=C1/CN2[C@H]3C[C@@]45c6cccc(OC)c6N(C)[C@@H]4[C@@H]2C[C@@H]1[C@@H]3[C@@H]5O 238761805 VJDUELIERLHSMS-IIQNQRMMSA-N 338.451 2.165 0 1 EEAF Cn1ccc(C(=O)C2CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)c1 96273577 VEXGYOSSYSYAOR-WOJBJXKFSA-N 338.451 2.448 0 1 EEAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc3c(cc2[nH]1)OCCO3 587092771 APUXQVTWCIWGNV-SSDOTTSWSA-N 329.278 2.464 0 1 EEAF CCOC(=O)c1nc2nc(O)nc(O)c2cc1Cc1ccccc1 587559567 KTQSSPDSQHWBTN-UHFFFAOYSA-N 325.324 2.204 0 1 EEAF C[C@@H]1CNC(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587591531 CSIWAOVTGHNWQB-CYXMAGCYSA-N 339.347 2.249 0 1 EEAF CN(C)CCOc1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1 586894051 YORTYJZLDLXKFF-KRWDZBQOSA-N 327.384 2.291 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)N(C)C)N1 587743153 VYPQKGJWAXIQJE-RTHLEPHNSA-N 329.213 2.426 0 1 EEAF Cc1csc([C@@](O)(Cc2nc3cc(N)ncc3[nH]2)C(F)(F)F)n1 587095247 ZMIREJIDRSKDAB-LBPRGKRZSA-N 343.334 2.298 0 1 EEAF COC(OC)[C@@]1(C(C)C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963225384 JYVKOEBRQZZODY-LPHOPBHVSA-N 344.411 2.304 0 1 EEAF Cc1cnc(Cl)nc1[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962901650 RMJJGWVSWKAFRX-ZBEGNZNMSA-N 335.766 2.440 0 1 EEAF CC(C)S(=O)(=O)c1cccc([C@H]2c3nn(C)cc3CCN2C)c1 963956566 YNQZXNHERSWFOY-KRWDZBQOSA-N 333.457 2.180 0 1 EEAF CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 12300770 JYQCUIQUYPJKJJ-LLVKDONJSA-N 344.390 2.061 0 3 EEAF COc1cccc(-c2noc(-c3csc(S(N)(=O)=O)c3)n2)c1 1857576636 ICEIXYUDRPNZGB-UHFFFAOYSA-N 337.382 2.121 0 1 EEAF COc1cc(OC)cc(-n2nc(C(=O)O)c3ccccc3c2=O)c1 109881 GFWBGFOAJWNXPN-UHFFFAOYSA-N 326.308 2.101 0 1 EEAF C[C@@]1(CO)[C@H]2CC=C3[C@H]4OC[C@@]5(O)CC[C@]3(C[C@@H]45)[C@]2(C)CC[C@H]1O 2356323699 FEZMGCSWYJJOCN-HTFDEJJZSA-N 334.456 2.022 0 1 EEAF C[C@@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1 26006903 WYZBSOZDBDRPSQ-QZTJIDSGSA-N 345.349 2.352 0 1 EEAF CS(=O)(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72185760 DMSGRRLIJUSBJK-LBPRGKRZSA-N 331.319 2.134 0 1 EEAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(N)=O)cs1 82073222 NQDOEIORUKRACL-CYBMUJFWSA-N 345.424 2.299 0 1 EEAF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CCN3C(=O)C2 238756457 NGGHEXQRXXSCCU-LIRRHRJNSA-N 327.380 2.199 0 1 EEAF O=S1(=O)C[C@H]2c3ccccc3CN2CN1Cc1ccc(F)cc1 96020166 SGBYOEDTGRXQPO-KRWDZBQOSA-N 332.400 2.486 0 3 EEAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CC2)cc1F 261130024 KXTGARHIVFGTKX-UHFFFAOYSA-N 335.784 2.347 0 1 EEAF C[C@@H]1COCCN1c1nc(-c2nncc3[nH]ccc23)cc2c1ncn2C 299826062 XCOKOJKTXOLUTM-LLVKDONJSA-N 349.398 2.132 0 1 EEAF Nc1c(Br)cccc1-n1c(O)cc(CCC(=O)O)c1O 587937696 WGOJUZPPKKLVIC-UHFFFAOYSA-N 341.161 2.250 0 1 EEAF CCOC(=O)[C@H]1CSCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454342 WGXUUMDOOZLOEY-SNUQEOBHSA-N 348.420 2.498 0 1 EEAF COC(=O)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656353 XTPYVOBLDXOSGH-UHFFFAOYSA-N 344.273 2.155 0 1 EEAF COC(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2n1 587051947 GYHPYOONXFAQDB-SNVBAGLBSA-N 346.774 2.346 0 1 EEAF Cc1cc2c(cc1O)[C@]1(CC(=O)CC3(CCC3)C1)N[C@H](C(=O)O)C2 963488784 FSWODJGHACGGBT-HNAYVOBHSA-N 329.396 2.418 0 1 EEAF CCOC(=O)Nc1ccc(OC)cc1S(=O)(=O)N1CCCCC1 3305405 LNDQMPXNYBBCNQ-UHFFFAOYSA-N 342.417 2.438 0 3 EEAF O=C(CN1C[C@H](c2ccccc2)CC1=O)Nc1ccc2c(c1)OCO2 4928075 UWEHZCGAWXMFCN-CQSZACIVSA-N 338.363 2.370 0 3 EEAF O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2ccc(F)cc2[n+]1[O-] 28861824 CFVGKMVHLIVURA-UHFFFAOYSA-N 342.204 2.089 0 1 EEAF Cn1cc(CN2C[C@@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)cn1 2356299260 DCGKLVNVMXRROK-CZUORRHYSA-N 347.369 2.175 0 1 EEAF CC(=O)[C@@H]1[C@H](O)C(=O)N(c2ccc(C(=O)O)cc2)[C@H]1c1ccccc1 64436766 CBTBGCPAOMXRGA-ULQDDVLXSA-N 339.347 2.039 0 1 EEAF C[C@H](CCc1ccc(F)cc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27743911 CGZWOSZLLCFYIB-XIKOKIGWSA-N 346.402 2.275 0 1 EEAF CSc1ncc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cn1 20915544 RDNPDNPQBBXSFX-INIZCTEOSA-N 336.505 2.010 0 3 EEAF CC(C)CC(=O)Nc1cc(N)c2c3c(cc(C(=O)CCO)nc13)C=N2 113379604 ZOVSEGCRDSBGNJ-UHFFFAOYSA-N 340.383 2.431 0 1 EEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1C[C@H](O)C1=C[C@H]3C[C@@]12CC[C@@]3(O)CO 2356639484 RUGLMNSDLLANNJ-VDMKTYGSSA-N 336.472 2.006 0 1 EEAF O=C1C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccccc21 71296671 QXUZCLKZIQDJSF-UHFFFAOYSA-N 348.358 2.292 0 1 EEAF COc1cccc([C@@H]2SCCC(=O)N2NC(=O)c2ccncc2)c1 84596906 KSBXMMKCVQNLGZ-KRWDZBQOSA-N 343.408 2.399 0 1 EEAF CCOC(=O)C(=O)Nc1nc(-c2ccccc2C(=O)OC)cs1 40640433 VPVKWBRARXRAPP-UHFFFAOYSA-N 334.353 2.098 0 1 EEAF Nc1ccc(S(=O)(=O)c2ccc3oc4c(c3c2)CNCC4)cc1 143599740 DXKPQAVWSOGSMT-UHFFFAOYSA-N 328.393 2.494 0 1 EEAF CC(/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@@H]2C(C)(C)CCC[C@@]21C)=C\CO 238732407 RMAJUEUHZWCNQM-NSZDJZBJSA-N 338.488 2.416 0 1 EEAF COc1ccc(NCc2c(O)on[n+]2-c2ccc(OC)cc2)cc1 98085702 CWKSISGGUMLDDY-UHFFFAOYSA-O 328.348 2.286 0 1 EEAF CCCCNC(=S)N1CCN(CC[C@@H](O)c2ccccc2)CC1 473136376 QMRBTVNZOADLTL-QGZVFWFLSA-N 335.517 2.402 0 1 EEAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cnccn1)[C@@H](C2)C3=O 587427870 GXLKFSSFXQGSQX-NGRLIPSGSA-N 337.379 2.203 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CN=CNc3[nH]cnc31)CC2=O 587483571 LDLZSCJDOSZLIE-KRWDZBQOSA-N 326.356 2.382 0 1 EEAF C/C=C\C[C@@H]1c2cc3c(O)nc(O)nc3nc2C[C@@H]1CC(=O)OC 587559057 FCSJDDUNHVUNPS-QKMQQOOLSA-N 329.356 2.221 0 1 EEAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@]2(CCCCn3nccc32)N1 963228063 HWWVWHXRKPXUQL-YLJYHZDGSA-N 348.406 2.458 0 1 EEAF COc1ccc2c(c1)NC(=O)CN2c1nc(CO)nc2ccccc12 1772632126 PGSOFKKJAQGZBL-UHFFFAOYSA-N 336.351 2.221 0 1 EEAF CC(C)Cn1c(=O)n(C)c(=O)c2c1ncn2Cc1cccc(Cl)c1 169339055 AOJZQNPRIMYGSE-UHFFFAOYSA-N 346.818 2.254 0 1 EEAF Cc1ccccc1N(C)C(=O)Cn1nnc(-c2ccccc2F)n1 201488631 QPFDYRCADDLRKE-UHFFFAOYSA-N 325.347 2.451 0 3 EEAF Cc1cc(O)nc(-n2cc(C)c(C(=O)N3CCc4ccccc4C3)n2)n1 1857616360 FWCHXQDNGGGKGU-UHFFFAOYSA-N 349.394 2.183 0 1 EEAF CNC(=O)[C@@H]1CCc2[nH]c3cc(Br)ccc3c(=N)c2C1 1857647067 ZGVLEPXVPCWAAW-MRVPVSSYSA-N 334.217 2.261 0 1 EEAF C[C@@H](O)Cc1nsc(NC(=O)c2ccc(Br)o2)n1 423085 DVIAXNWRWACRKS-RXMQYKEDSA-N 332.179 2.069 0 3 EEAF CC[C@@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 26656488 WMEDPYWNFHPWBH-FQEVSTJZSA-N 332.359 2.148 0 1 EEAF O=C1OC[C@@H](Cc2ccc(O)c(O)c2)[C@H]1Cc1ccc2c(c1)OCO2 14760221 JJBONXYTPRSQOP-ZIAGYGMSSA-N 342.347 2.401 0 1 EEAF biogenic CCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@H](CC)N2 82207385 ZJXLPJRIPOZGAL-AWEZNQCLSA-N 328.416 2.236 0 1 EEAF COc1ccc2c(c1)[n+](=O)c(C(=O)NCc1ccccc1)c(C)n2O 49067611 BKAJPCDBUXFMIC-UHFFFAOYSA-O 340.359 2.040 0 1 EEAF C[C@@H](Cc1ccc([Si](C)(C)C)cc1)CN1CCS(=O)(=O)CC1 653694172 BTRUINKZEMKGDS-HNNXBMFYSA-N 339.577 2.141 0 1 EEAF COc1ccc(-c2nc3nc(O)nc(O)c3cc2[C@@H](C)C(=O)O)cc1 587560160 WYJCHJOHBMEWPP-MRVPVSSYSA-N 341.323 2.300 0 1 EEAF CCOC(=O)[C@H]1CSCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454346 WGXUUMDOOZLOEY-VFVRVIDISA-N 348.420 2.498 0 1 EEAF CN1C(=O)C[C@H]2CN[C@]3(CCCc4nc(N)ccc43)c3cccc1c32 963023918 JAWUTBWVKRKMJJ-YUNKPMOVSA-N 334.423 2.297 0 1 EEAF CC(=O)Oc1c(C)c(OC(C)=O)c2c(c1C)[C@@H](C)[C@@](C)(O)OC2=O 13480659 PZRLZTDKTOVBJT-XLFHBGCDSA-N 336.340 2.136 0 1 EEAF biogenic COCCOc1cnc(Nc2ccc([C@H]3CNCCO3)cc2F)nc1 150033170 VAFMNJHMYDJOFT-MRXNPFEDSA-N 348.378 2.045 0 1 EEAF COc1cc(S(N)(=O)=O)ccc1-c1noc(-c2ccsc2)n1 1857559705 XFWQPNLVTATUFD-UHFFFAOYSA-N 337.382 2.121 0 1 EEAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCCC2)n1 2356288686 JFKHQKVSCUGXHT-BSDSXHPESA-N 333.476 2.033 0 1 EEAF Cc1nc(-c2ccc(CN3CCC[C@@H](N(C)C)C3)cc2)[nH]c(=O)c1F 23338946 IHNTWTRRCTXVOV-MRXNPFEDSA-N 344.434 2.410 0 1 EEAF COc1cc([C@@H](CO)Cc2cc(OC)c(O)c(OC)c2)ccc1O 2356461901 YJIYKRGHCVXDMO-CYBMUJFWSA-N 334.368 2.442 0 1 EEAF CCCNC(=O)c1nnc2c(-c3cnccc3OC)cccc2c1N 71281369 VHGIDFXNMYWNMX-UHFFFAOYSA-N 337.383 2.422 0 1 EEAF COc1cc([C@@H]2NNCc3nc4ccccc4n32)cc(OC)c1OC 84709446 LBEJEZCHSQYCGR-GOSISDBHSA-N 340.383 2.217 0 1 EEAF C=c1c(C(=O)OC)c(O)/c(=C\c2cccs2)n1-c1ccccc1 83318692 PAZPEFHJLVYXBJ-RVDMUPIBSA-N 325.389 2.270 0 1 EEAF NC(=O)c1ccc(N[C@@H]2CNCC[C@H]2c2ccccc2)c2cncnc12 143756297 TVDXVEYZPBAGQH-KBXCAEBGSA-N 347.422 2.286 0 1 EEAF CN1CCN(c2nc(/C=C/c3cccc4ccccc34)nc(=N)[nH]2)CC1 473172541 XIHWICWTFMWIJL-MDZDMXLPSA-N 346.438 2.360 0 1 EEAF Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C2CCOCC2)cs1 299841879 ARRBOYOMHOFEJG-CVEARBPZSA-N 335.473 2.196 0 1 EEAF O=C1COc2ccccc2N1CCCn1cc(-c2ccccn2)nn1 299819871 COHZTPUOLBURLS-UHFFFAOYSA-N 335.367 2.156 0 1 EEAF Cc1cc2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc2c(C)n1 586946120 RNTWURHZVKHKPA-UHFFFAOYSA-N 334.401 2.192 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@H](O)OC2)N1 587834735 SDQGGHYVFSUFQZ-FDLBOYPASA-N 328.181 2.223 0 1 EEAF COc1cc(-c2nc3cnnc(O)c3[nH]2)nn1-c1ccccc1F 587156346 MCNOFENSVSDRER-UHFFFAOYSA-N 326.291 2.059 0 1 EEAF O=C(O)Cc1ccc(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587960288 YJRQDJBIADNFRX-UHFFFAOYSA-N 337.335 2.112 0 1 EEAF CN[C@@H](c1cccnc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587227298 YBPWIMSORNVZJV-SFHVURJKSA-N 337.427 2.099 0 1 EEAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cnncc3[nH]2)cc1 587245611 VPDNNLUBNQOKAZ-UHFFFAOYSA-N 334.339 2.492 0 1 EEAF CCOC(=O)C(=O)C[C@@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439788 DDVXGOABZSLLDT-YJYMSZOUSA-N 344.363 2.114 0 1 EEAF COC(=O)C1=C[C@@]2(CC1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962764204 KWSZZTKLTISENV-CZUORRHYSA-N 339.313 2.421 0 1 EEAF COc1ccc2c(c1OC)[C@@](C)(c1nn(C)cc1O)N(C)[C@H](C)C2 962563467 GKCYGDLIRGSTEQ-ZMZPIMSZSA-N 331.416 2.283 0 1 EEAF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(=O)oc2ccc(C)cc12 1772599078 JXIZHUIDLJILCM-MRXNPFEDSA-N 342.351 2.292 0 1 EEAF Cc1c(C(=O)NCCCO)cnn1-c1nc(-c2ccccc2)cs1 13602516 IQDNDHPGAYTMIG-UHFFFAOYSA-N 342.424 2.416 0 1 EEAF COc1c(O)cc2c(c1O)[C@@H]1Oc3cc4c(cc3[C@@H]1CO2)OCO4 14648555 PCVFSIAOIHIYNK-ZKANADHPSA-N 330.292 2.445 0 1 EEAF endogenous,in-man COc1ccc(OC)c(CNc2nc3nc(C)c(Cl)c(O)n3n2)c1 15669000 IAFKCIPQIXDLJH-UHFFFAOYSA-N 349.778 2.421 0 1 EEAF COc1cccc(CCc2n[nH]c(=O)n2-c2cccc(OC)c2)c1 103175018 GNKPFJRDQLIFNY-UHFFFAOYSA-N 325.368 2.363 0 1 EEAF O=C(NCCc1ccccc1)c1noc2ncnc(N3CCCC3)c12 9688047 QMYSMLGACRLCJV-UHFFFAOYSA-N 337.383 2.191 0 1 EEAF C[C@]1(CO)CC(=O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@](O)(CO)C3 2356681811 GXISQCNZGGOFKX-KZISRTKBSA-N 336.472 2.294 0 1 EEAF CCc1cc(=O)oc2nc(OCc3ccccc3OC)[nH]c(=O)c12 73170085 NFWHZAVBXKGCIA-UHFFFAOYSA-N 328.324 2.026 0 1 EEAF NC(=O)c1cc2cc(N3CCNC[C@@H]3Cc3ccccc3)ccc2[nH]1 43194154 WBGRUPCVVLWKNH-KRWDZBQOSA-N 334.423 2.288 0 1 EEAF CC(=O)NCCn1c(CC(C)(C)C)nc2c(NCC3CC3)ncnc21 82186069 YXUXPOGNUJSHQU-UHFFFAOYSA-N 344.463 2.373 0 1 EEAF COCCNC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1 82133725 JGDYFGWWELEZAV-UHFFFAOYSA-N 326.400 2.342 0 1 EEAF CC(=O)N1CCN(c2ncc(Cl)c(-c3ncccc3C)n2)CC1 142306524 AUBAJHCPAARUOG-UHFFFAOYSA-N 331.807 2.169 0 1 EEAF C[C@@H]1C[C@@H]([C@@H](O)c2ccccn2)C(=O)[C@@H]([C@H](O)c2ccccn2)C1 253977211 AHKMRDPUGQRUPR-HOLCHWMESA-N 326.396 2.475 0 3 EEAF CC[C@H]1N(Cc2ccncc2)CCC[C@]12CCC(=O)N2CCOC 299842253 DWSHPKMBUWMDCS-MJGOQNOKSA-N 331.460 2.464 0 1 EEAF Cc1cccc(CN2CC[C@@H]3[C@@H](CNc4ncccn4)OC[C@H]3C2)n1 299842912 KCSUBGSJWWGYNC-BPQIPLTHSA-N 339.443 2.129 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(C(O)O)O2 587376027 BQBLNBDRUPNUQF-QGZVFWFLSA-N 333.771 2.402 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@]2(C(=O)O)[C@@H]1[C@H]3[C@@H]42 587409883 XHHYDMXZAOYSGO-QCNPJCEMSA-N 337.375 2.124 0 1 EEAF COc1ccc(Cl)c([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)n1 963527918 RFGPOLHNFRZKPR-MEDUHNTESA-N 348.786 2.446 0 1 EEAF O=C(O)[C@@H]1CCCN1[C@@H](C(=O)NC1CCCCC1)c1cccnc1 1772623587 HZDVSTDADNBSEI-JKSUJKDBSA-N 331.416 2.121 0 1 EEAF O=c1c2c(oc3cc4c(c(O)c13)OCO4)-c1c(O)cccc1CO2 14725559 VURYVFAWIIKQEI-UHFFFAOYSA-N 326.260 2.492 0 1 EEAF biogenic,in-vitro CCC(=O)NCc1ccc(OC[C@@H](O)CNC(C)C)c(Cl)c1 169335412 BMCUDJZUWJHKTH-ZDUSSCGKSA-N 328.840 2.104 0 1 EEAF COc1ccc(Cl)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@H]2S1 2463065 PADZUSAVGRZISC-MWLCHTKSSA-N 332.834 2.029 0 1 EEAF Cn1nnc2ccc3c(=NCc4ccc(C(C)(C)O)cc4)[nH]cnc3c21 1911585041 XQBIHYUARZJBEH-UHFFFAOYSA-N 348.410 2.173 0 1 EEAF Cc1ccccc1C(=O)Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1 103175180 FFUBSCITTFONOR-OAHLLOKOSA-N 340.404 2.130 0 1 EEAF CC[C@H](C(N)=O)N1C[C@@H](c2ccccc2Br)CC1=O 114096598 CMGYTWWVFFCIAP-JOYOIKCWSA-N 325.206 2.029 0 1 EEAF O=C(NC1CCOCC1)c1cc(COc2ccc(F)cc2F)on1 23153498 NHDRHFBMAQMWNO-UHFFFAOYSA-N 338.310 2.441 0 1 EEAF CN1C(=O)[C@@H]2C[C@@H]3c4ccccc4N[C@@H]3N2C(=O)[C@@H]1Cc1ccccc1 2356599735 KHODBKYKNABWPA-XGXHKWSGSA-N 347.418 2.206 0 1 EEAF COc1ccc2c(c1)[C]1C(C)=c3ccc(OC)c(OC)c3=CN1CC2 2356850244 XWZCBKOWXPLACC-UHFFFAOYSA-N 336.411 2.073 0 1 EEAF CCOc1cccc(-c2nc(CNCCN3CCOCC3)co2)c1 72101667 UFSXBVOHTISXKR-UHFFFAOYSA-N 331.416 2.162 0 1 EEAF CC(=O)N[C@H]1CCN(c2ncc(C)c(NCc3ccccc3)n2)C1 82203258 ZHYRFGPIIRFSQE-INIZCTEOSA-N 325.416 2.112 0 1 EEAF CCCCc1nc2nc(N3CCCC[C@H]3CCO)ccc2[nH]c1=O 82231602 UNNRRKZWGRUDRU-ZDUSSCGKSA-N 330.432 2.402 0 1 EEAF O=c1[nH]c2ccc(Cl)cc2n1S(=O)(=O)c1c(F)cccc1F 40836268 DSRCNGMEJLXYAY-UHFFFAOYSA-N 344.726 2.498 0 1 EEAF CN(C)[C@H]1C[C@H](c2c[nH]c3ccc(CCN4C(=O)CNC4=O)cc32)C1 257830769 IVCKFRGASBXHSD-HDJSIYSDSA-N 340.427 2.070 0 1 EEAF C[C@@H]1COc2c(Cn3ccnc3)c(F)cc3c(=O)c(C(=O)O)cn1c23 473243950 GDJIPMBQUISOPB-SECBINFHSA-N 343.314 2.037 0 1 EEAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccc(O)c3[nH]2)s1 587023745 GWZOXBNFUSSHBO-UHFFFAOYSA-N 347.400 3.058 0 1 EEAF CN[C@H](c1cccnc1)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587224967 UEERWWLHCCAFJI-CYBMUJFWSA-N 326.356 2.062 0 1 EEAF C/C(=C\C(=O)Nc1ccc2[nH]nnc2c1)Nc1ccc2n[nH]nc2c1 5723854 KBBODZMZDZWOMY-RMKNXTFCSA-N 334.343 2.184 0 1 EEAF Cc1c2c(cc3c(=O)cc(C(=O)O)[nH]c13)S(=O)(=O)c1ccccc1-2 169319975 IKECUROTBIWKTG-UHFFFAOYSA-N 341.344 2.348 0 1 EEAF O=C1CS[C@@H](c2c(F)cccc2F)N1n1cnc2cncnc21 169351448 YEACZHSVPDETME-AWEZNQCLSA-N 333.323 2.015 0 1 EEAF COC(=O)CC1(N=c2nc(-c3ccncc3)[nH]c3cnccc23)CC1 1857600679 DZWNHFKYWRKAEV-UHFFFAOYSA-N 335.367 2.016 0 1 EEAF OC[C@H](NCCc1ccc(O)cc1)c1ccc(O)c2nc(O)ccc12 1857654627 NDRIGQZTNSODTO-INIZCTEOSA-N 340.379 2.217 0 1 EEAF O=C(N[C@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 3933593 ZJSWMRJWTWJORH-ZDUSSCGKSA-N 348.493 2.256 0 1 EEAF O=C(NCc1ccco1)c1ccc2nc3ccsc3c(=O)n2c1 4971772 DSOVTRKZAOUAFG-UHFFFAOYSA-N 325.349 2.432 0 1 EEAF COC(=O)c1ccc(Cn2c(=O)cc(C)c3c(C)nn(C)c32)cc1 8605811 GAQSYPVIXOXDCO-UHFFFAOYSA-N 325.368 2.187 0 1 EEAF [O-][n+]1nc2c(Br)cnn2c2cc(Br)ccc21 28649490 ZWIXZSKVDYYKBT-UHFFFAOYSA-N 343.966 2.041 0 1 EEAF O=C1C[C@H]2C3=CCO[C@@H]4CC(=O)n5c(c(c6ccccc65)CCN1C3)[C@H]42 2356397074 FUVSQOKQZJCZKI-VPWXQRGCSA-N 348.402 2.499 0 1 EEAF [O-][n+]1c2ccccc2c2n1CCN1CCO[C@]21c1ccc(Cl)cc1 36389437 YXSQPKPLLJAPHJ-GOSISDBHSA-N 341.798 2.475 0 3 EEAF CCCCN1N=C(C(=O)c2cc(OC)ccc2N)C[C@H]1C(=O)OCC 40404446 LLYDBERZTMEPOD-INIZCTEOSA-N 347.415 2.254 0 1 EEAF CCOC(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)c3ccno3)C2)O1 96019020 OAVXCCQASAIDQA-GUYCJALGSA-N 336.388 2.172 0 3 EEAF CCC(CC)C(=O)N1CC[C@@H]2NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21 25411847 QYNKOKVSUPGLJE-JKSUJKDBSA-N 343.427 2.144 0 1 EEAF biogenic CC(C)n1cc(CC(P(=O)(O)O)P(=O)(O)O)c2ccccc21 299869080 TZKVJOFSLDTSMA-UHFFFAOYSA-N 347.244 2.446 0 1 EEAF COc1cccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c12 586945995 PEIPQSPURPDAIH-UHFFFAOYSA-N 335.385 2.189 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)CS(=O)(=O)C1)[C@@H](C2)C3=O 587449034 AEAGADFUBMMYQB-YVEFUNNKSA-N 336.409 2.026 0 1 EEAF Cc1cnc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)o1 1772576727 PJPGDFLNRFKAMY-UHFFFAOYSA-N 335.371 2.365 0 1 EEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](C)N[C@@H](C)C3)cc21 5848211 TWDFGXPYRHMQQB-QWRGUYRKSA-N 347.390 2.045 0 1 EEAF CC(=O)c1ccc(OCc2cc(C(=O)N(C)[C@H]3CCOC3)no2)cc1 12750379 PHIHWCIZXCRYSD-AWEZNQCLSA-N 344.367 2.317 0 3 EEAF COc1ccc(-n2c(O)cc(Sc3nnc[nH]3)c2O)c(OC)c1 169686939 QQKXUCDPMXFLAI-UHFFFAOYSA-N 334.357 2.175 0 1 EEAF C[C@H](NCCc1ccc(NCC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 24041 RKKYADBLVYWPJP-DJJJIMSYSA-N 344.411 2.143 0 1 EEAF COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1 2047759 YBJANOUTWRTBDK-UHFFFAOYSA-N 339.399 2.448 0 1 EEAF in-vivo O=C(NC[C@@H]1COCc2nc3cc(F)ccc3n21)c1ccncc1 2356299835 OZJNWBJIFAGOAW-CYBMUJFWSA-N 326.331 2.072 0 1 EEAF CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 114346727 AAEAMMIUQZAASJ-MRXNPFEDSA-N 335.411 2.444 0 1 EEAF C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)CCN1 103280593 KXEWZCBVOPPGIB-LBPRGKRZSA-N 341.411 2.223 0 1 EEAF COC(=O)[C@H](Cc1ccccc1)N=[S@](N)(=O)CCc1ccccc1 29318013 SBYLPUHOJODCBD-XDHUDOTRSA-N 346.452 2.355 0 1 EEAF Cc1ccc2nc(CO[C@H]3CN(Cc4cnn(C)c4)C[C@@H]3F)[nH]c2c1 2356746666 KMVJMWJMRGSAET-YOEHRIQHSA-N 343.406 2.344 0 1 EEAF CN1CC=c2c([nH]c3ccccc23)=C1C[C@]1(C)CC[C@H](C(C)(C)O)O1 2356810315 HUIPXXLAQRVOES-NQIIRXRSSA-N 340.467 2.101 0 1 EEAF NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1 35931789 DVIJKDQHHXCVIE-INIZCTEOSA-N 333.432 2.033 0 1 EEAF C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1ccco1 199213884 XFGUYVGYMZRLNZ-GOSISDBHSA-N 337.383 2.352 0 3 EEAF C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccc(C)cc1)C(=O)O 95559433 YDRIQELHIYRYJA-HNNXBMFYSA-N 348.399 2.147 0 1 EEAF C[C@@]1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)Cc2ccc(F)cc2C(=O)O1 587172272 FBYKTCGLNPFUGK-HNNXBMFYSA-N 347.737 2.138 0 1 EEAF CNS(=O)(=O)c1cc(-c2nc3c(F)cc(Cl)cc3[nH]2)n(C)c1 586947431 OGYMEZMJCBTKSV-UHFFFAOYSA-N 342.783 2.269 0 1 EEAF COc1ccc(C[C@H](C)c2nc3c(O)nc(O)nc3[nH]2)cc1OC 587926748 OXQSUNUYLOUGTO-QMMMGPOBSA-N 330.344 2.128 0 1 EEAF COc1nc(-c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)no1 13755826 WKAGUODYRJPBAW-UHFFFAOYSA-N 342.332 2.122 0 1 EEAF COC(=O)c1ccc2c(c1)[n+](=O)c(C(=O)c1ccccc1)c(C)n2O 205977591 ZYCQZMAZIBLMCV-UHFFFAOYSA-N 339.327 2.119 0 1 EEAF N=c1[nH]cc(N2CCN(c3ccc(-c4ccccc4)cc3)CC2)c(=N)[nH]1 1857598563 ZATFHERBDAPYGH-UHFFFAOYSA-N 346.438 2.295 0 1 EEAF COc1ccc(-n2c(=O)[nH]c3sc(C)c(C)c3c2=O)c(OC)c1 423035 BAMVWSHQLMEQAZ-UHFFFAOYSA-N 332.381 2.375 0 1 EEAF C[C@H](CCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 2356345238 NEVPBIQTDNVVMK-LFYQSXPISA-N 330.421 2.230 0 1 EEAF COC(=O)N1CCC2(CC1)CN(C(=O)Nc1ccc(OC)cc1)C2 4238178 LYJRFLGFHLRZNW-UHFFFAOYSA-N 333.388 2.391 0 1 EEAF COc1cccc(C(=O)C[C@@H](NC(=O)c2ccccc2)C(=O)O)c1 26664301 SBMJJKMFPNSLSM-OAHLLOKOSA-N 327.336 2.151 0 1 EEAF CCOCCN1CCN(C[C@@]2(c3ccc(F)cc3)CCOC2)CC1 20135064 SZHMCYXQLACWCJ-IBGZPJMESA-N 336.451 2.138 0 1 EEAF COc1ccc2nc(CO[C@H]3CN(C4CCOCC4)C[C@@H]3F)[nH]c2c1 2356300756 XLKXJJDLHZLGHR-YOEHRIQHSA-N 349.406 2.289 0 1 EEAF Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccccc2)cn1 114079201 FBAPNPFIJBPEIT-UHFFFAOYSA-N 335.411 2.455 0 1 EEAF CO[C@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35273287 KEBVBTRIOHKRMU-GWCFXTLKSA-N 338.795 2.311 0 1 EEAF Nc1cccc2c1nc(-c1ccc(P(=O)(O)O)o1)n2CC1CC1 45318988 DXNHZHONQZWSAR-UHFFFAOYSA-N 333.284 2.092 0 1 EEAF CNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1 40893391 UVQWMYZKDNUBPA-UHFFFAOYSA-N 337.387 2.495 0 1 EEAF COc1ccc(OC)c2c1CCc1cc3c(O)nc(O)nc3nc1-2 587560334 AFDSWGLEGLOMHH-UHFFFAOYSA-N 325.324 2.219 0 1 EEAF O=C1C[C@@]2(CCN1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587594064 KDCAOYJKBUCSRB-CRAIPNDOSA-N 325.320 2.003 0 1 EEAF O=C(NCc1ccco1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873602 IZUXEMZOEMDCMT-UHFFFAOYSA-N 327.271 2.345 0 1 EEAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccc(C(N)=O)c2[nH]1 587042907 NKVVWOYZKLNZMJ-NSHDSACASA-N 332.429 2.282 0 1 EEAF O=C(CN1CCN2CCC[C@H]2C1)n1nc2cc1Oc1ccc(F)cc1-2 587877089 ZTUOGGIKFRGLGF-ZDUSSCGKSA-N 342.374 2.215 0 1 EEAF CCOC(=O)[C@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587393480 HKHDLJJHXJOCLO-GOSISDBHSA-N 326.352 2.396 0 1 EEAF COc1cc2c3c(c1)O[C@]1(C(=O)N(C(C)=O)c4ccccc41)[C@@H](C2)C3=O 587437253 YTSNXXNYCKWUJX-XOBRGWDASA-N 349.342 2.231 0 1 EEAF CCCC[S@](=O)c1nc(N)c2nc(O)n(Cc3ccccc3)c2n1 13492490 RYANVUBTQQMWTQ-XMMPIXPASA-N 345.428 2.070 0 1 EEAF COc1cc(C(N)=O)cc(NC(=O)/C=C/c2ccccc2)c1OC 1662005 TYNYUKVEHJDHSQ-CMDGGOBGSA-N 326.352 2.455 0 1 EEAF CC[C@H](C)NC(=O)CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21 6796006 OBSTZPXCSIZYFA-GUYCJALGSA-N 339.395 2.463 0 1 EEAF CC[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CCN1 103284745 NXUUXNTZQRHRFI-GFCCVEGCSA-N 341.411 2.223 0 1 EEAF CN(C)CCN1C(=O)c2cccc3c(-n4cccn4)ccc(c23)C1=O 103230297 QUYZTGDUYNTKBR-UHFFFAOYSA-N 334.379 2.183 0 1 EEAF CC(C)n1cc(C(=O)O)c(=O)c2ccc(N3C[C@H](C)N[C@@H](C)C3)cc21 103282260 PLJXUCLLKRASCC-STQMWFEESA-N 343.427 2.467 0 1 EEAF CN(C)c1cccc2c(S(=O)(=O)Nc3cccnn3)cccc12 25965734 QPMFEHASVUOAHW-UHFFFAOYSA-N 328.397 2.497 0 1 EEAF O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2ccccc2[n+]1[O-] 28827444 QSROFRLTENTZLE-UHFFFAOYSA-N 340.282 2.418 0 1 EEAF OC[C@H]1O[C@H](n2cnc3c(NC4CCCCCC4)ccnc32)C[C@@H]1O 26508693 YKCUGFGVEQMOFA-XHSDSOJGSA-N 346.431 2.207 0 1 EEAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccccc2)[C@@H]3C)n1 218887445 HQFWWFCJWZXHFM-SNVBAGLBSA-N 340.412 2.322 0 1 EEAF C=C1C(=O)O[C@@H]2C[C@]3(CO)C=COC=C(COC(=O)C(C)C)[C@@H]3C[C@@H]12 15157585 IWDVYGYZNDTSSN-GGXPGOJBSA-N 348.395 2.100 0 1 EEAF biogenic CC(C)Cc1ccc(C2=NN(CN3CCNCC3)C(=O)CC2)cc1 49803099 IASNOPLQAIQXAJ-UHFFFAOYSA-N 328.460 2.074 0 1 EEAF c1c(CC2CCCCC2)nnn1[C@@H]1CO[C@@H]2[C@@H](NCC3CC3)CO[C@H]21 25427850 WLGSMULHXCESLR-MANSERQUSA-N 346.475 2.108 0 1 EEAF biogenic Cc1c(F)ccc2c1[C@](CS(=O)(=O)N(C)C)(C(C)C)NCC2 962149743 XTPUVHYLTDKSCS-INIZCTEOSA-N 328.453 2.023 0 1 EEAF CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ccnc2cc1C(N)=O 1772622379 WFDCRJQKOODGGI-GFCCVEGCSA-N 329.400 2.252 0 1 EEAF O[C@@H]1CO[C@@H](n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)[C@@H]1O 5932795 JWUSTNLBSHEJLK-JHJVBQTASA-N 344.198 2.168 0 1 EEAF COc1ccccc1CN1[C@@H](CC(=O)O)c2ccccc2S1(=O)=O 12478593 LDHFBEMXFPCLRY-AWEZNQCLSA-N 347.392 2.416 0 3 EEAF C[C@H](C(=O)NS(C)(=O)=O)c1ccc(C(=O)c2ccccc2)s1 13646058 GKIGXHODLMXNLK-JTQLQIEISA-N 337.422 2.158 0 1 EEAF CCCOc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169303069 FSCQVYBJKCUYMM-CHGCTZGBSA-N 327.424 2.281 0 1 EEAF CNC(=O)c1ccc(OCc2c([C@H]3CCCCN3)noc2C)nc1 169685411 MNKIXDTWNLOCFY-CQSZACIVSA-N 330.388 2.131 0 1 EEAF COc1ccc(C(=O)CC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 102216213 BSJLEQNGXBREFD-UHFFFAOYSA-N 341.319 2.205 0 1 EEAF CCOCc1nc(N2CCCC2)sc1C(=O)NC[C@H]1CCCO1 21716243 OABJFGKRMZLEQY-GFCCVEGCSA-N 339.461 2.189 0 1 EEAF CNC(=O)[C@H]1CC=C[C@@H]1n1cnc2c(NC3CCCC3)ncnc21 29132410 MHRPRPHKSUIYOS-STQMWFEESA-N 326.404 2.044 0 1 EEAF O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(F)c(Cl)c1 39092969 AZEJFQLVDOHNAP-UHFFFAOYSA-N 340.703 2.145 0 1 EEAF CCN(c1ccc(C#N)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 146949800 KIDYVTPMDQFDCS-CQSZACIVSA-N 333.399 2.330 0 1 EEAF CN(CC(N)=O)Cc1cccc(-c2cnc(N3CCCCC3)nc2)c1 142808221 GFFFXAJFQQSIEO-UHFFFAOYSA-N 339.443 2.051 0 1 EEAF N=C(NCc1ccccc1)NC(=O)N1CCN(c2ccccc2)CC1 473152396 TXCPNHVQSJNZEC-UHFFFAOYSA-N 337.427 2.243 0 1 EEAF O=c1cc(-c2ccc3nn[nH]c3c2)nc2[nH]c(-c3ccc(F)cc3)nn12 653663966 IEGIKTJNRGFOOM-UHFFFAOYSA-N 347.313 2.162 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)C2)N1 587843713 JUSVCBSJJUUVOO-OQPBUACISA-N 348.237 2.136 0 1 EEAF O=C(CCc1nc2c(O)nc(S)nc2[nH]1)Nc1cccc(F)c1 587163150 NHOQYOAYCWACFR-UHFFFAOYSA-N 333.348 2.058 0 1 EEAF Nc1cnc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)nc1 587253036 YNPAYDFQIIWPQC-UHFFFAOYSA-N 334.133 2.063 0 1 EEAF O=C1C[C@H](CNC(=O)C2CCOCC2)Oc2c1ccc1c2CCCC1 587511531 LLVPPGYJRXDASF-OAHLLOKOSA-N 343.423 2.442 0 1 EEAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1CCCO1 587276955 VJNKNFASCJFMAC-QMMMGPOBSA-N 326.146 2.444 0 1 EEAF COc1cccc([C@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)c1 587560052 VHVZNDSJSXHTOT-GFCCVEGCSA-N 337.335 2.092 0 1 EEAF Cc1nonc1[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972128 UBXXKTSCPAUFSK-LKFCYVNXSA-N 343.717 2.172 0 1 EEAF CC[C@H](c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)n1cncn1 13863010 LSDAVLIROZXVMY-MRVPVSSYSA-N 340.170 2.114 0 1 EEAF O=C1C[C@H](Sc2ccccc2)C2(OCCO2)[C@H]2ON3CCC[C@@H]3[C@@H]12 6010343 SDRYWBREBZUFOO-IWCQGFGOSA-N 347.436 2.258 0 1 EEAF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@]3(C[C@]4(O)CO)[C@H](O)C(=O)[C@H]12 101279231 DXKOYDRYFOHLGA-AHSYSTRBSA-N 336.472 2.292 0 1 EEAF O=S(=O)(NCCNCc1ccccc1)c1cccc2cnccc12 27554878 ZTJCSTLGCMXYAT-UHFFFAOYSA-N 341.436 2.303 0 1 EEAF CC1(C)CN(C(=O)c2ccccc2)C[C@H]2CN(C3CCC3)CCN21 2356560355 WWYCMSBDJKZDMD-GOSISDBHSA-N 327.472 2.460 0 1 EEAF COc1ccc2nc(C[C@H]3CN(C(C)=O)CC[C@@H]3CC(=O)O)[nH]c2c1 2356744982 UFQWVPAYPQVNFA-OLZOCXBDSA-N 345.399 2.073 0 1 EEAF Cn1c(NCC(=O)c2ccc(F)cc2)nc(-c2ccncc2)cc1=O 34280428 HISQZUJBDIFUKI-UHFFFAOYSA-N 338.342 2.276 0 1 EEAF Nc1ncnc2c1nc(CCC[P@@H](=O)O)n2CCc1ccccc1 40413582 NREKJTAKWARKTP-UHFFFAOYSA-N 345.343 2.051 0 1 EEAF COCCNC(=O)C[C@@]1(C)N=C(c2cccc3ccccc23)N(C)O1 74374360 AFUXXRMQLOYTDM-IBGZPJMESA-N 341.411 2.332 0 3 EEAF CCCCn1nnnc1[C@@]1(C)CCC(=O)N1CCc1ccc(O)cc1 199215167 SNJCCHHAKMSPLB-GOSISDBHSA-N 343.431 2.259 0 3 EEAF Fc1ccccc1Cn1cnc2c(Sc3ncn[nH]3)ncnc21 299835852 YPTYJTXOEGPWLV-UHFFFAOYSA-N 327.348 2.283 0 1 EEAF O=S(=O)(c1ccc(Cl)c(-c2nc3ncc[nH]c-3n2)c1)N1CCC1 586954578 DCNJJZHSLAKZGB-UHFFFAOYSA-N 349.803 2.019 0 1 EEAF Nc1cncc(-c2nc3cc(I)cnc3[nH]2)c1 587254476 QVTNRGMSAZLGHH-UHFFFAOYSA-N 337.124 2.207 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ncccn1)O2 587389106 IOGDIGCKKAEZMA-KRWDZBQOSA-N 326.356 2.120 0 1 EEAF NS(=O)(=O)c1ccc(CCc2nc3ccc(Cl)nc3[nH]2)cc1 586929285 DCXADXWIZMMTIY-UHFFFAOYSA-N 336.804 2.044 0 1 EEAF CCS(=O)(=O)c1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2c1 586958477 GXMBTERPMVLZHN-FQEVSTJZSA-N 326.443 2.015 0 1 EEAF C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2C[C@H]1CCCO1 1772629832 OWRBBFHZDDJXIW-ULPLZVRXSA-N 328.456 2.489 0 1 EEAF C[C@H](O)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 164797032 DROWREYOLCHQPX-JTQLQIEISA-N 348.366 2.334 0 1 EEAF NCc1cc(OCc2cccc(C(=O)NCc3ccccc3)c2)ncn1 1857604593 GYIRMJMBPNMYDR-UHFFFAOYSA-N 348.406 2.444 0 1 EEAF COc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1-n1cnnn1 6858369 DMUGKTSIACQPGP-UHFFFAOYSA-N 346.350 2.471 0 1 EEAF CC[C@@H]1CN[C@H]2C[C@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 2356693978 SAJWGFXMIQVKFI-JDXCQDBOSA-N 342.439 2.255 0 1 EEAF O=C(/C=C/c1ccco1)Nc1ccc(N2CCOCC2)c(CO)c1 29128751 PPAQKYXZPWNGDG-GQCTYLIASA-N 328.368 2.260 0 1 EEAF Cc1nc(CN)cc(N2CCN(c3nc4ccccc4s3)CC2)n1 39466484 NLQIBUZEULAAHP-UHFFFAOYSA-N 340.456 2.180 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@H](C(C)=O)[C@@H]1C[C@H]23 34598727 DHAOEWPYRANXCZ-SFZJTNDWSA-N 338.407 2.090 0 1 EEAF CC(C)n1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@H](C)CN2 82224515 QSWLHPZSRKVYBT-LLVKDONJSA-N 332.379 2.329 0 1 EEAF CCOc1cc(OCCCCN)nc(NCCCOC(C)C)n1 40878420 BERPNZOWCUHWBT-UHFFFAOYSA-N 326.441 2.220 0 1 EEAF O=C(CO)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1 40422818 IEKCOXKNCRBHNT-AZUAARDMSA-N 340.467 2.179 0 1 EEAF CCOC(=O)C[C@@H](C)Nc1nc(N2C[C@@H](C)O[C@H](C)C2)ncc1C 82203621 NUGVJWFLHIMKTC-MGPQQGTHSA-N 336.436 2.152 0 1 EEAF COc1cc2c3c(c1)O[C@@H](C(C)(C)CN1CCOCC1)[C@@H](C2)C3=O 587444858 RGEDHZHIETUBGE-KBXCAEBGSA-N 331.412 2.170 0 1 EEAF CC(=O)NC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572428 PIBUPJUMSZGHAY-YJBOKZPZSA-N 327.336 2.249 0 1 EEAF Nc1ccccc1-c1[nH]c2c(C(=O)O)cccc2c1[C@H](N)C(=O)O 587638838 WGXXCZGVPVFVQH-ZDUSSCGKSA-N 325.324 2.200 0 1 EEAF COC(=O)c1ccc2nc(-c3nnn(C)c3C(F)F)[nH]c2c1OC 587127959 CQCPRRJKHNUJKL-UHFFFAOYSA-N 337.286 2.091 0 1 EEAF COC(=O)c1ccc(C[C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962892727 DRYVKJDSPRKTAD-HOTGVXAUSA-N 343.354 2.495 0 1 EEAF COc1ccc(S(=O)(=O)n2nc(-c3ccccc3)cc2N)cc1 5034498 FDKNWIZWAXNLGA-UHFFFAOYSA-N 329.381 2.378 0 1 EEAF CCOc1ccccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C 13818323 VYUAUJSREBCQRG-UHFFFAOYSA-N 342.399 2.145 0 1 EEAF Cc1c(COc2cc(=N)[nH]c3[nH]nnc23)cccc1-c1ccn(C)n1 1857565979 YNJUQNHJWIEDMF-UHFFFAOYSA-N 335.371 2.053 0 1 EEAF COC(=O)C=CC(C)=C[C@@H](C)[C@H](O)c1cc(O)cc(NC(C)=O)c1O 2356446241 CEGIRERGELADRL-DIFFPNOSSA-N 349.383 2.401 0 1 EEAF O=C(O)[C@H](Cc1cc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O 4992122 OUTGVRRJEGVMRD-INIZCTEOSA-N 334.331 2.460 0 1 EEAF Clc1ccc(Nc2nc(N3CCNCC3)nc3[nH]cnc23)cc1 53313112 ZIDMESINDLDLNF-UHFFFAOYSA-N 329.795 2.160 0 1 EEAF CNC(=O)c1ncn2c(=NCc3ccco3)[nH]cc(-c3ccccc3)c12 1911584309 FCPVLGPNZXJDIA-UHFFFAOYSA-N 347.378 2.383 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@H](CCO)C[C@H](C1)[C@@H]23 2356786937 TVBMHUVFQRBOBY-RWEYRTKBSA-N 340.423 2.026 0 1 EEAF O=C(O)COc1ccc(Br)cc1C(=O)c1ccno1 36127019 ITWPZOSVLCTNIX-UHFFFAOYSA-N 326.102 2.132 0 1 EEAF Cc1nn(-c2nc(N)nc(-c3ccccn3)n2)c(N)c1-c1ccccc1 230560712 IWMCQIQERIDSBT-UHFFFAOYSA-N 344.382 2.259 0 1 EEAF O=C(NCc1ccc(F)cc1)c1c(O)n(O)c(=O)c2ccccc12 95920895 KKAHXTQWSHRJRB-UHFFFAOYSA-N 328.299 2.014 0 1 EEAF in-vitro CO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccc(OC)c1OC 621474205 FOLFVCJNGOZRLR-DKXRRRNBSA-N 330.344 2.407 0 1 EEAF COC(=O)c1ccnc2[nH]c(-c3cccc(NC(N)=O)c3C)nc12 587238917 IAXHWTJMJGMHIL-UHFFFAOYSA-N 325.328 2.211 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(C(=O)O)c2[nH]1 587229364 ANGISAKCBVQRPD-NEPJUHHUSA-N 345.399 2.298 0 1 EEAF CCOC(=O)CC[C@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587400836 RQLRYZAFOCENHG-GOSISDBHSA-N 349.383 2.188 0 1 EEAF CC1CCC(NS(=O)(=O)Cc2nc3cc(F)cnc3[nH]2)CC1 586953729 YKSUXXJNJFGYEV-UHFFFAOYSA-N 326.397 2.095 0 1 EEAF N[C@]1(c2nc3c(S)nc(S)nc3[nH]2)C[C@H]1c1ccccc1F 587154430 NXILQWIJWMXOAD-JKYUHCHBSA-N 333.417 2.411 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cc(C)on1)O2 587389033 HYILUEPDNTVION-KRWDZBQOSA-N 329.356 2.626 0 1 EEAF Cc1cccc2c1NC(=O)[C@]21NC[C@H]2CC(=O)N(C)c3cccc1c32 963032908 UDULVOLDZYZKTD-MPBGBICISA-N 333.391 2.244 0 1 EEAF CC[C@H](C(=O)NC(C)C)n1nc(C)n2c(cc3sccc32)c1=O 5108436 OWSVDTAMGHNPQJ-LLVKDONJSA-N 332.429 2.495 0 1 EEAF CO[C@H]1[C@@H](C)CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 169370970 NOVHLOPMNWBHNB-BONVTDFDSA-N 338.795 2.311 0 1 EEAF COc1ccccc1-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1 1857563161 POPKGDWXPAOYEW-UHFFFAOYSA-N 339.351 2.204 0 1 EEAF CCn1cc(-n2cc3[nH]c(N4CCC(C)CC4)ncc-3c2=O)cn1 1857616446 BNNGPJQJNFSMKH-UHFFFAOYSA-N 326.404 2.118 0 1 EEAF COCCNc1nc(NC(=O)CC(C)C)nc2c1ncn2C(C)C 28642340 AJCNVTZWQKPXGH-UHFFFAOYSA-N 334.424 2.450 0 1 EEAF O=C1N[C@H]2ON=C(c3ccccc3)[C@@H]2[C@@H]2ON=C(c3ccccc3)N12 31898333 IHTIDIABGVBCOA-JQFCIGGWSA-N 334.335 2.107 0 1 EEAF CCNc1nc(N2CCC[C@H](CO)C2)nc2cc(OC)c(OC)cc12 82131446 ASUSTAQIVWIJPU-LBPRGKRZSA-N 346.431 2.288 0 1 EEAF CS(=O)(=O)c1ccc([C@H]2OCC(=O)N2Cc2ccccc2)cc1 98084307 JBTXKNFEDYAWGR-QGZVFWFLSA-N 331.393 2.148 0 1 EEAF CCOC(=O)N1CCN([C@@H](C(=O)NC2CCCC2)c2ccco2)CC1 95600983 UULWRXZRKOJGJK-MRXNPFEDSA-N 349.431 2.154 0 3 EEAF CO[C@@H](C)CNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 261133970 LROBIDLTYPALCY-NSHDSACASA-N 340.387 2.485 0 1 EEAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(C(=N)N)cc3[nH]2)c1 586922548 WAEPGLUVKXOWHF-UHFFFAOYSA-N 342.424 2.231 0 1 EEAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587236330 URJYNAHWZLICPT-RITPCOANSA-N 334.248 2.462 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3 587231300 NMJDIAWZCOREIP-RYUDHWBXSA-N 345.399 2.328 0 1 EEAF COC(=O)c1cc(Br)c2[nH]c([C@@H](N)[C@@H](C)F)nc2c1 587123393 IXGKUJRVROINGS-ANLVUFKYSA-N 330.157 2.470 0 1 EEAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(O)cc3[nH]2)s1 587024286 SRDMJYGGGHGKIS-UHFFFAOYSA-N 347.400 3.058 0 1 EEAF CCO[C@H](C)n1nccc1[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962909448 XIVXIHOBXURIIK-AKWBHNSASA-N 333.363 2.266 0 1 EEAF COc1nc(OC)nc(Sc2ccc(Cl)cc2C(=O)O)n1 1857592946 NMZGVQBNIPNIIB-UHFFFAOYSA-N 327.749 2.392 0 1 EEAF O=C1CCCC[C@H]1[C@@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 5539393 MYKWGWFKZSAUSU-WBVHZDCISA-N 329.396 2.467 0 1 EEAF CC(=O)c1cc([C@@H](O)[C@H](O)C(C)(C)O)c2oc(C(C)(C)O)cc2c1 13306506 QUZPTVPAUHASLU-ZBFHGGJFSA-N 336.384 2.028 0 1 EEAF biogenic COc1cc(O)c2c(c1)/C=C\CC[C@H](O)[C@H](O)/C=C\C[C@H](C)OC2=O 169727611 HZGOYSKUPKXELQ-NGSVCPEISA-N 348.395 2.421 0 1 EEAF COc1ccc([C@H]2OC(=O)C[C@H]2C(=O)N2CCCCC2)cc1OC 201462461 UDSINZPXTCYPDL-CXAGYDPISA-N 333.384 2.321 0 3 EEAF C/C=C(\C)C(=O)O[C@@H]1CCN2C[C@@H]3C[C@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1 100202257 UPVPJQNTGLTBPC-CNSCFTANSA-N 346.471 2.360 0 1 EEAF in-vitro CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(S(=O)(=O)CCC)C1)C2 2356309138 CGWFLNZQQRMDRO-ZFWWWQNUSA-N 336.457 2.040 0 1 EEAF CC(C)N1C(=O)c2ccccc2[C@]1(O)c1ccc2c(c1)NC(=O)CO2 116257260 NWPFPQYENBBIDA-LJQANCHMSA-N 338.363 2.075 0 1 EEAF Cc1cc(O)cc(O)c1C(=O)Oc1c(O)cc(C)c(C(=O)O)c1O 14637172 TXCSQYRBQCKQLU-UHFFFAOYSA-N 334.280 2.043 0 1 EEAF biogenic CCOC(=O)c1nnn(Nc2ccc(Br)cc2)c1C 43072839 QUSPSMGQRKROMI-UHFFFAOYSA-N 325.166 2.401 0 1 EEAF Cc1cccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)c1 198761456 AWEXOUBZDKRZHQ-UHFFFAOYSA-N 342.380 2.076 0 1 EEAF COc1ccc2c(c1)N[C@H]1[C@@H]3[C@H](OC)OC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 238731100 SWKLBBXUTMDNSJ-NSKPJBHNSA-N 340.423 2.338 0 1 EEAF CSc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1 587563422 TUIILOVONZEABY-UHFFFAOYSA-N 343.364 2.452 0 1 EEAF O=C(Nc1cccc(N2CCC(N[C@@H]3CCOC3)CC2)c1)C1CC1 12248082 MHNVQVKNNDJSNZ-QGZVFWFLSA-N 329.444 2.382 0 1 EEAF CC(C)OC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 13153087 LLBUIDYEVHXNFM-YPUPRDRTSA-N 343.379 2.388 0 1 EEAF O=C(CCN1CCCCC1)N1CCc2c([nH]c(=O)c3ccccc23)C1 13536347 YQAGSJWYTQNVHL-UHFFFAOYSA-N 339.439 2.289 0 1 EEAF CN1c2ccccc2C(=O)[C@@H](C(=S)Nc2ccccc2)S1(=O)=O 18069035 XEPKIMSMVBPSBG-HNNXBMFYSA-N 346.433 2.457 0 1 EEAF O=C(O)C[C@H]1SC2=NCCCN2[C@]1(O)c1ccc(Cl)cc1 169332274 ZSUCTQUJRLBAJE-RISCZKNCSA-N 326.805 2.137 0 1 EEAF O=C(O)c1ccccc1NCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 99033 TWRXIBCJDHRIIO-PWSUYJOCSA-N 334.759 2.272 0 3 EEAF O=C(O)CCC=CC[C@@H](O)C=CC=CC=C[C@H](O)CCCC(=O)O 2356457672 XWRIIHRGMKHPHN-HOTGVXAUSA-N 338.400 2.443 0 1 EEAF CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)[C@@H]1COCCN1 1911576127 OSILKVOBAVIGST-INIZCTEOSA-N 349.427 2.370 0 1 EEAF CC(C)NC[C@@H]1O[C@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@H]1O 2356300357 UNPJORNWBZBAON-SCTDSRPQSA-N 346.427 2.496 0 1 EEAF CC(=O)OCC(C)=CCc1ccc(O)c2c1[C@@H](C[C@H](O)C(C)=O)OC2 2356322764 ASYOOCLMBQIAEO-ZWKOTPCHSA-N 348.395 2.355 0 1 EEAF COC(=O)C=C1C(=O)N(c2cc(O)cc(O)c2O)c2ccccc21 13409123 RSQKQBWNKRMGCZ-UHFFFAOYSA-N 327.292 2.038 0 1 EEAF biogenic CC(=O)N[C@H]1CCN(c2ncc(C)c(NCc3cccc(F)c3)n2)C1 82203509 SLRFFVVUAQJYOB-INIZCTEOSA-N 343.406 2.251 0 1 EEAF COc1cccc2cc(C(=O)NC[C@H](O)c3ccccc3)c(=N)oc12 84670486 AUORTGQKWNTDKT-HNNXBMFYSA-N 338.363 2.384 0 1 EEAF COC(=O)/C(C)=C1\C(=O)O[C@@]2(C)[C@H]3C[C@H]3C(C)(C)[C@H]2[C@H]1OC(C)=O 238768105 SGOTZEIKTUEQEA-AQHWVZQISA-N 336.384 2.015 0 1 EEAF CCOC(=O)[C@@H]1C(=O)[C@H](C(C)=O)C(=O)C[C@@H]1C[C@@H](C)SCC 142523777 RTYSMJMWAJSKON-MWQHPAIMSA-N 328.430 2.061 0 3 EEAF Cc1cc(OCCOCCN2CCOCC2)nc(-c2ccccc2)n1 299820405 BGRIWEWDWVAWQL-UHFFFAOYSA-N 343.427 2.180 0 1 EEAF CN(C(=O)OC(C)(C)C)[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587368824 ACRQGHNOPVHOPC-JTQLQIEISA-N 346.387 2.160 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(C(=O)O)ccc21 587402321 XHUUHIRYIJRDKS-SFHVURJKSA-N 338.319 2.088 0 1 EEAF Cn1ncnc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584292 ZHUAPDQPXTXVHS-KDOFPFPSSA-N 337.335 2.398 0 1 EEAF CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)CC(=O)OC)[C@@H]23 1772623565 GWDVFKIYCNEGMU-MKSNKDDYSA-N 336.476 2.441 0 1 EEAF CCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 13136916 FPDLFUOECYLQDS-MXYBEHONSA-N 329.352 2.325 0 1 EEAF CC[C@@H](Sc1nc(S)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759692 LIAGACZBVWWNOP-LLVKDONJSA-N 345.453 2.460 0 1 EEAF O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N[C@@H]1CCCc2ccccc21 101696760 MKQHFFSYGJHKMV-YESZJQIVSA-N 338.407 2.131 0 1 EEAF COc1cc(N2C(=O)CN3CCCC[C@H]3C2=O)c(F)cc1Cl 103293972 NIOOHYXFZDYQMI-NSHDSACASA-N 326.755 2.215 0 1 EEAF COc1ccc2c3c1O[C@H]1[C@@H]4OC[C@]4(C)C[C@H]4[C@@H](C2)N(C)CC[C@@]341 27765399 FJCKKSMRLTWIBR-GMDHALTFSA-N 327.424 2.379 0 1 EEAF O=C1NC[C@@H](c2ccc(F)cc2)Cc2[nH]c(CCN3CCCC3)nc21 65488197 ZGPBIBXUMKMZBN-AWEZNQCLSA-N 342.418 2.257 0 1 EEAF CNC(=O)[C@H](Oc1ccccc1Br)c1csnn1 34093462 KSHFTKSZWJJLED-SNVBAGLBSA-N 328.191 2.167 0 1 EEAF Cc1cc(F)ccc1N1CCC(N2CCN(C)[C@H](CCO)C2)CC1 36384460 JMAFPAHNCACANZ-GOSISDBHSA-N 335.467 2.101 0 3 EEAF CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2 40972539 JHQGAWPRLWOPNO-UHFFFAOYSA-N 330.453 2.196 0 1 EEAF CC[C@H]1C[C@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40411744 BQIUAFQWKFLQPF-AAEUAGOBSA-N 338.795 2.047 0 1 EEAF CC[C@H](C)Nc1ncc(C(=O)N2CCOCC2)c(-c2ccco2)n1 82142225 QNCHJSDRXSRQNN-LBPRGKRZSA-N 330.388 2.419 0 1 EEAF CNC(=O)c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 261085324 CLAAGMJWUIFRNJ-SNVBAGLBSA-N 338.371 2.200 0 1 EEAF C[C@H]1C(=O)[C@@]23C[C@H](O)[C@@H]4[C@@](C)(CO)CCC[C@@]4(C)C2=CC[C@]1(O)C3 299852733 WVGFQNIYXUJDEE-XHAQYTOMSA-N 334.456 2.213 0 1 EEAF CCS(=O)(=O)c1cccc(Cc2nc3cncc(OC)c3[nH]2)c1 586922342 TVFYNEOGWFFGDX-UHFFFAOYSA-N 331.397 2.351 0 1 EEAF FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587088132 JIQWJWWNDFTYSR-SECBINFHSA-N 331.330 2.288 0 1 EEAF C=CN1CC[C@@H]([C@@]2(c3ccccn3)NCCc3c(C)ccnc32)C1=O 963094579 YROZGLFSQBLNOD-UZLBHIALSA-N 334.423 2.166 0 1 EEAF CN1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]1c1ccc(F)cc1 5059686 HDXDKJAOYLZXJX-OWCLPIDISA-N 326.327 2.302 0 1 EEAF O=C1CCN(CCc2ccccc2)CCN1[C@H](CO)c1ccccc1 15935348 CWQVPCLMNZAWNF-HXUWFJFHSA-N 338.451 2.497 0 3 EEAF O=C(N[C@@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 3933590 ZJSWMRJWTWJORH-CYBMUJFWSA-N 348.493 2.256 0 1 EEAF CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(C34C[C@H]5CC3C[C@@H](C5)C4)nc21 100643615 FVGRCQWVXKAUCG-HGKLQBSUSA-N 342.443 2.157 0 1 EEAF CC(=O)N1CCC(NC[C@@H]2COCc3nc4cc(C)ccc4n32)CC1 2356298918 KGJIGCIYSKDSCU-MRXNPFEDSA-N 342.443 2.017 0 1 EEAF CNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)NCC1CC1 2356299032 RXBHMNLUHFMADM-HZPDHXFCSA-N 349.862 2.118 0 1 EEAF NC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 26576641 RXWLQESCINYPQY-UHFFFAOYSA-N 327.771 2.009 0 1 EEAF CC[C@H]1C(=O)N2C=CS[C@H]2N(Cc2cc(OC)cc(OC)c2)C1=O 28769673 KVWSCUSPDXHTIC-WMLDXEAASA-N 348.424 2.402 0 1 EEAF C[C@]1(O)CO[C@H]2C=C(COC(=O)C=Cc3ccc(O)cc3)CC[C@H]21 2356465819 IUVKFRYCDSXZIC-AOIWGVFYSA-N 330.380 2.435 0 1 EEAF C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@H](CC[C@@H]3O)[C@]12C[C@H](c1ccco1)OC2=O 2356552257 KKPKVOMMNGLUGV-RDAJQJLMSA-N 344.363 2.287 0 1 EEAF CCCOc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]314 253669458 FSCQVYBJKCUYMM-WJJKDBDQSA-N 327.424 2.281 0 1 EEAF O=C1NN[C@H](C(=O)N[C@@H]2CCCCc3ccccc32)[C@H]2CCCC[C@H]12 618012998 LJRGOHFGAVBMST-FJIDUMEYSA-N 341.455 2.380 0 1 EEAF CC(C)(CO)NC(=O)c1nn(-c2c(F)cccc2F)c2c1C[C@H]1C[C@@H]21 299823570 QZVOCKMIPFYYSZ-NXEZZACHSA-N 347.365 2.311 0 1 EEAF Nc1ccc2oc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cc2c1 587252812 NRYYRPXOMZKDCS-UHFFFAOYSA-N 328.353 2.206 0 1 EEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(OC(C)C)cc2[nH]1 587205145 YGQYIDUJGLGKMD-OAHLLOKOSA-N 346.431 2.429 0 1 EEAF COC(=O)c1ccnc2[nH]c(CCC(=O)Nc3cccc(F)c3)nc12 587164158 ZPGUBFITELLONE-UHFFFAOYSA-N 342.330 2.455 0 1 EEAF NC(=O)c1ccccc1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963239137 ZXMCKSSKXJDARI-QZTJIDSGSA-N 347.374 2.022 0 1 EEAF C[C@]1(CO)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@](C)([C@@H](O)CO)C=C3CC[C@H]12 1772630726 NRYNTARIOIRWAB-DUBPVYKHSA-N 338.488 2.252 0 1 EEAF COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(OC)nc21 4238299 FUNZZUYSOSFSPT-UHFFFAOYSA-N 346.774 2.162 0 1 EEAF CCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1)C2 102972595 WQMWILSNQFBQEZ-NNZMDNLPSA-N 343.471 2.328 0 1 EEAF Cc1cc(C)nc(N2N=C(C(F)(F)F)C[C@@]2(O)C(F)(F)F)n1 103285620 XUCPBRVWHCOQCY-SECBINFHSA-N 328.216 2.473 0 1 EEAF O=C1NCC(=O)N(Cc2ccco2)[C@@H]1CSCc1ccccc1 71295974 QJJZVHDZNQVNQM-OAHLLOKOSA-N 330.409 2.040 0 1 EEAF C[C@@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1N)C(=O)O 40861919 WXWWNNXDHNGEMA-MRVPVSSYSA-N 347.421 2.404 0 1 EEAF Cc1ccc(S[C@@H]2C[C@@H](n3cc(C)c(O)nc3=O)O[C@H]2CO)cc1 253848516 ADXWQPFQSDKRMV-ZNMIVQPWSA-N 348.424 2.006 0 1 EEAF C[C@H](CCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O 263614139 AHRWSOYISAIFOZ-WVCIDPQESA-N 332.437 2.454 0 1 EEAF in-vitro CCOC(=O)Cc1cc(OC)c(OCC(=O)N(CC)CC)cc1F 299835614 MCAGQBKJKASILX-UHFFFAOYSA-N 341.379 2.187 0 1 EEAF Cc1[nH]nc(O)c1[C@@H](c1ccc(Cl)cc1)c1c(O)nc(O)nc1O 653754296 BWYAOSOIPHMDGL-SNVBAGLBSA-N 348.746 2.164 0 1 EEAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586888420 IVQIQTQTPMZLRB-DYVFJYSZSA-N 349.456 2.487 0 1 EEAF C[C@H](NCc1ccco1)C(=O)N1CCN(Cc2ccccc2F)CC1 201486150 XGYDCVUFBVFUGP-HNNXBMFYSA-N 345.418 2.241 0 3 EEAF COc1cc(N2C[C@H](CO)OC2=O)ccc1-c1ccc(CN)cc1 1857645522 PGFIPTXQRNRGSC-OAHLLOKOSA-N 328.368 2.138 0 1 EEAF CN(C)C(=O)c1ccc(-c2cncnc2NC2CCNCC2)cc1 4265251 KMARINFNFFODQU-UHFFFAOYSA-N 325.416 2.009 0 1 EEAF CNC(=O)c1cn2c(-c3ccco3)nc3c(NC)c(F)cc(c1=O)c32 101632593 AKIOUPDXPMNXEL-UHFFFAOYSA-N 340.314 2.086 0 1 EEAF CN1CCN(Cc2cccc(Cl)c2Cl)[C@H](C2=NCCN2)C1 55906562 YRSWRYKABHGQFC-ZDUSSCGKSA-N 327.259 2.111 0 1 EEAF Nc1n[nH]c2nc3nc4c(c(-c5ccccc5)c3c(=O)n12)CCCC4 29057386 SZUBSDVBTLJVGF-UHFFFAOYSA-N 332.367 2.094 0 1 EEAF CNC(=O)[C@H]1CC=C[C@H]1n1cnc2c(NC3CCCC3)ncnc21 29132414 MHRPRPHKSUIYOS-QWHCGFSZSA-N 326.404 2.044 0 1 EEAF C/C=C/[C@@H]1Oc2ccc(OC)cc2N2C(=O)[C@H](C)[C@H](OCOC)[C@@H]12 253966553 BSKPAPARTCMSGM-IFMSQPJZSA-N 333.384 2.373 0 1 EEAF Cn1cc(CN2C[C@H]3CCC[C@@H](CNc4nccn4C)[C@@H]3C2)cn1 299842911 KCONTSZGSXODSV-BBWFWOEESA-N 328.464 2.114 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(C(=O)O)cc21 587400715 NQFQRYOTXFQKIU-SFHVURJKSA-N 338.319 2.088 0 1 EEAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 586893127 USNFKNPFUSSYQJ-ZBEGNZNMSA-N 345.424 2.356 0 1 EEAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 587787984 YNRNLNNYFRGWPQ-VHSXEESVSA-N 342.380 2.291 0 1 EEAF COc1ccc(C[C@@H](C)c2nc3c(O)nc(O)nc3[nH]2)cc1OC 587926747 OXQSUNUYLOUGTO-MRVPVSSYSA-N 330.344 2.128 0 1 EEAF Nc1cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)ccc1CC(=O)O 587249748 MBFTUFUIIFVGCV-UHFFFAOYSA-N 329.287 2.277 0 1 EEAF COC(=O)C[C@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587393657 JXBKIZNPEXLLPI-SFHVURJKSA-N 326.352 2.396 0 1 EEAF CC[C@@]1(Cc2nc3c(O)nc(N)nc3[nH]2)CC(=O)c2ccccc2C1 587961790 UMUJCOQQZSFNOC-SFHVURJKSA-N 337.383 2.409 0 1 EEAF C[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)N[C@H]1CCCC[C@H]1C 5335767 KZOZYDRQDRZKLS-UTUOFQBUSA-N 349.460 2.427 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1C[C@H]1OC(=O)[C@H]3C[C@@H](O)C[C@H]2[C@H]31 5641147 GFUMUSWDMNZQDZ-POMCYGPJSA-N 346.379 2.223 0 1 EEAF in-man COC(=O)c1ccc([C@@H]2C(=C(C)O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 12660821 ODUNWFFBMKIIDY-ZHALLVOQSA-N 346.379 2.318 0 1 EEAF biogenic COc1cccc(-c2cc(NC(=O)C[C@H]3CCN(C#N)C3)on2)c1 1857545892 UGTOHJBLJZBSKU-GFCCVEGCSA-N 326.356 2.482 0 1 EEAF Cn1c(Sc2ccnc3cc(Cl)ccc23)cc(=O)n(C)c1=O 480160 BHUBOHFUJPUZJN-UHFFFAOYSA-N 333.800 2.437 0 1 EEAF Cn1ccnc1CN1C[C@@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356300887 ZLWZNQAQBSIAAB-IUODEOHRSA-N 329.379 2.036 0 1 EEAF CC(C)C(=O)N1CCOC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 2356349591 JGHASOGWPANYTB-LBPRGKRZSA-N 332.322 2.363 0 1 EEAF CCCCNC(=O)CCCOc1cc([C@H]2CNC(=O)C2)ccc1OC 29240407 YLZGZAHCELCJBB-OAHLLOKOSA-N 348.443 2.374 0 1 EEAF Cc1c(C(N)=O)c2c(NCC(=O)O)cccn2c1Cc1ccccc1 27196905 SGEIYUDGOUMHKL-UHFFFAOYSA-N 337.379 2.434 0 1 EEAF CC1(C)C[C@H](O)C[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(C[C@@H](O)[C@H]12)C[C@@]4(O)CO 2356733615 KNCLQQIOJPEOIX-DIWKMMNCSA-N 338.488 2.084 0 1 EEAF O=C1OC(c2ccccc2)=N/C1=C/N[C@H](Cc1ccccc1)C(=O)O 34172184 CKOCGKUJIGEMGI-XYGUXCPDSA-N 336.347 2.117 0 1 EEAF COc1ccc(CNC(=O)c2cnc3c(c(C)nn3C)c2OC)cc1 39200810 IBWPSCVRBAUJRW-UHFFFAOYSA-N 340.383 2.224 0 1 EEAF Cn1cc(C2=C(c3n[nH]c4ncccc34)C(=O)NC2=O)c2ccccc21 43119370 XJODSAYEFOIWSK-UHFFFAOYSA-N 343.346 2.017 0 1 EEAF Cn1ccc(C(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1 91781447 TWSIYLGNLMGORP-UHFFFAOYSA-N 344.459 2.208 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnnn2C)N1 587758348 INMMNFIAYWCXEH-WPPNPWJKSA-N 325.185 2.340 0 1 EEAF CNc1nc(SC)ncc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587408696 DCAIAFODQOLJJK-ZDUSSCGKSA-N 330.413 2.837 0 1 EEAF COC(=O)c1cccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c12 587094153 LEYSRLSRJDXGJP-ZETCQYMHSA-N 329.278 2.479 0 1 EEAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nncc(O)n1 587863196 UDJXYURZYOMGJK-UHFFFAOYSA-N 337.261 2.457 0 1 EEAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cnccc2[nH]1 587204232 WPBGLJBHYATKSK-CYBMUJFWSA-N 340.339 2.400 0 1 EEAF OC[C@H](O)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12 141871615 PRJPNUKRHKIXDU-AWEZNQCLSA-N 329.787 2.488 0 1 EEAF CN(CCN)C(=O)c1cccc(-c2ccc(N3CCOCC3)cc2)c1 1772577569 LHRUENRENHJHKK-UHFFFAOYSA-N 339.439 2.221 0 1 EEAF COc1ccc([C@@](C)(F)Cn2cc[nH]c2=O)cc1O[C@H]1CCOC1 13438944 IDRCNGCIZNSRDJ-GUYCJALGSA-N 336.363 2.238 0 1 EEAF C[C@H](NC(=O)Cc1cc2c(cc1Cl)OCCO2)c1ccncn1 19939943 BYZJFCFCYONGDE-JTQLQIEISA-N 333.775 2.321 0 1 EEAF O=C(O)CSc1n[nH]c(-c2ccccc2OCCN2CCCC2)n1 205430372 VUWZKYXREWUJAW-UHFFFAOYSA-N 348.428 2.123 0 1 EEAF C[C@@H]1CCC[C@@H](O)CCC[C@H](O)Cc2cc(O)cc(O)c2C(=O)O1 2356377992 RUKNLXKLHDXQSW-BNOWGMLFSA-N 338.400 2.262 0 1 EEAF C[C@]1(CN)CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 103284830 NMAOAATWOQEVEX-LJQANCHMSA-N 341.411 2.210 0 1 EEAF C[C@@H]1CN2c3c(cc(Cl)cc3NS2(=O)=O)CN1CC1CC1 53151267 LUMJACVICIMYFZ-SECBINFHSA-N 327.837 2.431 0 1 EEAF Cc1ccc(-c2nc3ccccc3n2CC(=O)N2CCN(C)CC2)nc1 27857355 LYPKEJNQWCIUCD-UHFFFAOYSA-N 349.438 2.181 0 1 EEAF C[C@H](NC(=O)c1ccccn1)c1onc(-c2cccnc2)c1C(=O)O 2356762324 ROQDJXDLHPBMBD-JTQLQIEISA-N 338.323 2.321 0 1 EEAF CC(C)OC(=O)N1CC=C(c2cn(-c3cccnc3F)nn2)CC1 38223537 MWBWDQVGXJWEDX-UHFFFAOYSA-N 331.351 2.436 0 1 EEAF O[C@@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@@H]12)OCO5)OCO3 14718135 DKRYSHHGXFYAHR-ZWKOTPCHSA-N 339.347 2.290 0 1 EEAF biogenic O=C(OC1CCN(c2ccncc2)CC1)N1CCN(C2CCC2)CC1 223532288 CIHWCEXJPAIFSO-UHFFFAOYSA-N 344.459 2.357 0 1 EEAF NC(=O)c1nc(-c2ccncc2)sc1NC(=O)c1ccc(N)cc1 149933243 WZWSPTDKPFXDGL-UHFFFAOYSA-N 339.380 2.139 0 1 EEAF CN1CCN(C2CCN(c3cccc(Cl)c3)CC2)C[C@H]1CCO 253961111 ZRYCVXMUHVDEHL-GOSISDBHSA-N 337.895 2.307 0 3 EEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@@H]4CCO4)ncc23)ccn1 261178282 VKIOGFFJNUMYKQ-LBPRGKRZSA-N 338.371 2.239 0 1 EEAF COC(=O)c1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cn1 587123450 JUWVLCNBXHDVDN-UHFFFAOYSA-N 334.282 2.450 0 1 EEAF COC(=O)CC[C@@H](C(=O)OC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397700 ANBJSIQEKHBJMD-KPZWWZAWSA-N 349.383 2.044 0 1 EEAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(CCO)cc2[nH]1 586949943 IJLRUZDQKFRXCO-UHFFFAOYSA-N 345.424 2.060 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COCC(=O)C2)N1 587837075 ZFAWOEWFYBUUJQ-RTHLEPHNSA-N 328.181 2.307 0 1 EEAF CC(=O)N[C@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1ccc(C)cc1 587216809 NJLDGVWYLNPMES-LLVKDONJSA-N 343.412 2.076 0 1 EEAF O=C([C@@H]1CN2CCC[C@H]2CO1)n1nc2cc1Oc1ccc(F)cc1-2 587874816 CRZYLTLBTMNCGO-NHYWBVRUSA-N 329.331 2.298 0 1 EEAF Cc1cccc2c1NC(=O)[C@]21NC[C@@H]2CC(=O)N(C)c3cccc1c32 963032896 UDULVOLDZYZKTD-FKIZINRSSA-N 333.391 2.244 0 1 EEAF C/C(=C\CO)C(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C 13460711 XQXMDWBFCPASSF-RFKZRZAASA-N 344.363 2.357 0 1 EEAF biogenic,in-vitro CCOC(=O)CSc1ncnc2c(C(=O)OCC)c3n(c12)CCC3 478609 UWWOHRIEAXLSSO-UHFFFAOYSA-N 349.412 2.209 0 3 EEAF NC(=O)c1[nH]c2ccccc2c1S(=O)(=O)c1cc(Cl)ccc1N 3654282 UNYDSXXRNKWCFU-UHFFFAOYSA-N 349.799 2.335 0 1 EEAF C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H]3C[C@@H]23)cc1 115998327 FJHKZEVPGYADEG-KBRIMQKVSA-N 327.428 2.410 0 1 EEAF C1CNC([C@@H]2CN(C(C3CC3)C3CC3)CCN2C(C2CC2)C2CC2)=N1 29346001 AQQHVXGXHOCTDB-SFHVURJKSA-N 342.531 2.352 0 1 EEAF C[C@]12C[C@@H]1CC[C@]1(C)[C@@H]3C[C@@H]4OC(=O)C(CO)=C4C=C3[C@H](O)C[C@H]21 2356494010 ONNYIOKWWWSKHZ-JLLWDPFASA-N 330.424 2.354 0 1 EEAF O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccc(Cc2cnc[nH]2)c1 35323655 ONSSSVJVIDXYFQ-SFHVURJKSA-N 349.390 2.426 0 1 EEAF CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(C)=O 14826950 CCWSYXLJKBFVDL-SJORKVTESA-N 346.335 2.500 0 1 EEAF biogenic COc1ccc([C@H]2Oc3cc(OC)cc(OC)c3[C@@H](O)[C@H]2O)cc1 86044226 PGWNAUWORYYLLS-KZNAEPCWSA-N 332.352 2.240 0 1 EEAF CN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4ccccn4)cc32)N=C1N 95603943 DCRSZXJBBQEETJ-IBGZPJMESA-N 336.395 2.292 0 1 EEAF C1CCC(c2nc3c(c(N4CCN5CCC[C@H]5C4)n2)CCNCC3)C1 253588600 JXSIGTLUGUEBTD-INIZCTEOSA-N 341.503 2.107 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCNC[C@]12CC[C@H]2C 253690010 RUANMLJUIUPQED-FNDUUJAJSA-N 337.851 2.439 0 1 EEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CN1CCOCC1 587595560 PAADRMPZUHCEBO-SJORKVTESA-N 341.363 2.055 0 1 EEAF CCS(=O)(=O)NCCCc1nc2c(Cl)cnc(Cl)c2[nH]1 586942508 NHBQJCOEAJZQEI-UHFFFAOYSA-N 337.232 2.137 0 1 EEAF Cc1ccc(OCc2cc(C(=O)NCCn3cccn3)no2)cc1C 12572550 NLHLMQOGBDUORL-UHFFFAOYSA-N 340.383 2.497 0 3 EEAF C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@@H]1C[C@@H]3C[C@@]12CC[C@@]3(O)CO 13543701 NOFOAYPPHIUXJR-NSNLRKJJSA-N 338.488 2.086 0 1 EEAF CC(=O)N1c2c(O)cccc2[C@@]23CCN4CC[C@@H](C[C@H]12)C1=CCO[C@]143 2356338964 FPEWLKWWYJYGBX-SIXJUCDHSA-N 338.407 2.147 0 1 EEAF CCCN1C[C@H](Cn2cccn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 103224170 VGUCRFZEXJNJAG-SZVBFZGTSA-N 327.428 2.236 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NC1[C@@H]2CC3C[C@@H]1CN(C3)C2 101022743 LBXVOPLYLDLZEV-BRIPAJLNSA-N 335.835 2.001 0 1 EEAF COc1cccc([C@H]2[C@@H]3C(=NN2C(C)=O)C2CCN3CC2)c1OC 20437748 PKDFJLIMQYVKMO-IRXDYDNUSA-N 329.400 2.057 0 1 EEAF O[C@H]1C[C@@H]2O[C@H]3C=C[C@@H](O)[C@@H]1[C@H]3C21Oc2cccc3cccc(c23)O1 2356542000 JZDCBWJRBIWSGA-XYXFGVHASA-N 338.359 2.002 0 1 EEAF O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1cc(-c2ccccn2)[nH]n1 2356756892 YZLAPTFMZIWLPD-RDTXWAMCSA-N 339.443 2.466 0 1 EEAF CO[C@@H]1C=CC2=CC(=O)N3CCCc4cc5c(cc4[C@@]23C1)OCO5 14692292 LSHGROWWKJBPBW-AUUYWEPGSA-N 325.364 2.300 0 1 EEAF biogenic CCOC(=O)C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 40640569 XRCQNGYMVOGYRV-UHFFFAOYSA-N 333.369 2.270 0 1 EEAF Cc1ccc(C(=O)N2C[C@H](OCC3CCOCC3)[C@H]3OCCC[C@H]32)o1 96187085 FXJPRGGHNMBJLF-NJAFHUGGSA-N 349.427 2.403 0 1 EEAF NC1=N[C@]2(CCc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)CO1 96929113 SPCACAONOMDGOG-QGZVFWFLSA-N 342.786 2.474 0 1 EEAF CCOC(=O)C[C@@]1(c2cnccn2)CC(=O)c2cc(C)cc(N)c2O1 587394110 QOFXKNULZLHHTD-GOSISDBHSA-N 341.367 2.181 0 1 EEAF Oc1nc(S)nc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc12 587040357 HHLVFDAJLQUQIJ-ZJUUUORDSA-N 345.453 2.294 0 1 EEAF CCOC(=O)C[C@@]1([C@H]2CCOC2)CC(=O)c2cc(C)cc(N)c2O1 587411488 JWRIGCHHGTZCCX-KPZWWZAWSA-N 333.384 2.271 0 1 EEAF NS(=O)(=O)c1ccc(CCc2nc3cc(Cl)ncc3[nH]2)cc1 586930032 MMLBWZPYPPXKGI-UHFFFAOYSA-N 336.804 2.044 0 1 EEAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cnnc(O)c4[nH]3)cc2N1 587126130 VRJHEGVFCMNUNB-SVGQVSJJSA-N 339.281 2.230 0 1 EEAF COc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)c(C(F)(F)F)c1 587096878 DABKAKFUJYWOCL-UHFFFAOYSA-N 325.250 2.335 0 1 EEAF COc1cccnc1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230971 RFVHRYWGSYILKC-WBVHZDCISA-N 335.363 2.327 0 1 EEAF O=C1N=c2ccc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)cc2=N1 1772626344 GQUGMJGLMGBAHW-YJBOKZPZSA-N 331.375 2.004 0 1 EEAF CCN1c2ncc(CCC(=O)OC)cc2C(=O)N(C)c2cccnc21 5842227 SDDYKNWIADDTLB-UHFFFAOYSA-N 340.383 2.330 0 1 EEAF Cc1nn(C)cc1CNC(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12612028 OTNHOLIABCFDMX-MRXNPFEDSA-N 346.475 2.164 0 3 EEAF C[C@H](Cc1ccccc1F)NC(=O)CCC1=NC(=C2N=CN=N2)NO1 1857576610 UHWSQDMHLDIOBW-SNVBAGLBSA-N 344.350 2.207 0 1 EEAF COC(=O)C1=C2[C@](C)(CC[C@H](O)[C@]2(C)C(=O)OC)c2ccccc21 2356403469 KHTLNUGTVKMWNG-BKTGTZMESA-N 330.380 2.219 0 1 EEAF Cc1ccc(SC[C@H](CF)OCn2cc(F)c(=O)[nH]c2=O)cc1 6487661 GHBLJSWVIPTCLR-NSHDSACASA-N 342.367 2.089 0 1 EEAF C[C@H]1CCc2nn(CC(=O)N3CCN(c4ccccc4)CC3)cc2C1 6803040 YBUFXGQHUSOEGB-INIZCTEOSA-N 338.455 2.357 0 1 EEAF CC[C@@H]1OC2(CCN(CCc3c[nH]c4ccccc34)CC2)CNC1=O 27984868 RUQIRXLHSREWNG-SFHVURJKSA-N 341.455 2.470 0 1 EEAF O=C(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1 26010443 JEIYVTHBQUEXEF-KRWDZBQOSA-N 329.306 2.327 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCNC[C@]12CC[C@@H]2C 27745349 RUANMLJUIUPQED-QXKQMHMISA-N 337.851 2.439 0 1 EEAF Cc1cc(CN2CC[C@@H](CNC(=O)c3ccc(O)c(Cl)c3)C2)n[nH]1 67642812 BHSDGACRERPWIU-LBPRGKRZSA-N 348.834 2.329 0 1 EEAF COc1ccc(NC(=O)C[C@@]2(C)N=C(c3ccccc3)N(C)O2)cn1 74373685 JWIRWNBANQXABJ-SFHVURJKSA-N 340.383 2.459 0 3 EEAF O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H]2CO[C@H](c3ccc(O)c(O)c3)[C@@H]12 14727713 DFZNKMAEHVZMHR-ITDAGMBRSA-N 344.319 2.111 0 1 EEAF biogenic N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC[C@@H](C(N)=O)C4)c23)c1 224894758 FFFVFLJBIVJUEA-CQSZACIVSA-N 346.394 2.198 0 1 EEAF NS(=O)(=O)c1ccc(Sc2c(F)c(F)cc(F)c2F)nc1 49088540 VFNLQGFWLLNNHB-UHFFFAOYSA-N 338.307 2.437 0 1 EEAF COc1ccc(-c2ccnn2C)cc1S(=O)(=O)NC1CCCC1 473113597 JMXSMXFYKBDUAL-UHFFFAOYSA-N 335.429 2.317 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc[nH]n1 587870180 XNEQZGFEXYHNDX-UHFFFAOYSA-N 337.261 2.384 0 1 EEAF CN(C)S(=O)(=O)c1cccc2nc(C(F)(F)C(F)F)[nH]c12 587089614 WAZVPXCCUCDOAO-UHFFFAOYSA-N 325.287 2.170 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(OC)nc2[nH]1 587231095 LQNABEZJKAOWBP-RYUDHWBXSA-N 332.404 2.003 0 1 EEAF CCOC(=O)Cc1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1 587029394 PAEMPIHHSRXFIZ-GFCCVEGCSA-N 330.413 2.368 0 1 EEAF COc1ccc([C@]2(C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442283 KSTDCGZPUXVZRO-KUHUBIRLSA-N 340.331 2.431 0 1 EEAF COc1ccc([C@@]2(C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442281 KSTDCGZPUXVZRO-AUUYWEPGSA-N 340.331 2.431 0 1 EEAF CC(C)[C@@](C)(O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586885863 DICJJRRRBLHGFA-QGZVFWFLSA-N 327.388 2.486 0 1 EEAF COc1cc(/C=C\C(=O)NCCc2ccc(O)cc2)cc(OC)c1O 13537900 IEDBNTAKVGBZEP-YVMONPNESA-N 343.379 2.487 0 1 EEAF CCOC(=O)NC(OCCN(C)C)(C(F)(F)F)C(F)(F)F 1644582 FVKTYQGBYYXORN-UHFFFAOYSA-N 326.237 2.132 0 1 EEAF CCOc1ccccc1C(=O)NC(=O)NC1C[C@H]2CC[C@H](C1)N2C 100788637 DWLIXNBJJWTIDG-ZIAGYGMSSA-N 331.416 2.150 0 1 EEAF COC(=O)c1ccc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)c1 26376594 YFRZNCXEZUVQBU-LLVKDONJSA-N 325.670 2.378 0 1 EEAF CC1(C)N=C(N)N=C(N)N1OCCCSc1ccc(Cl)cc1 27305430 NUCPIFGCTNPSPK-UHFFFAOYSA-N 341.868 2.435 0 1 EEAF COc1cc2c(cc1OC)C(c1ccc(N)cc1)=Nn1c(C)nnc1C2 29545338 JHSJKMDRPATMAW-UHFFFAOYSA-N 349.394 2.391 0 1 EEAF CCN(CC)C(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1 36388122 HIPKEPWWUNKFGM-UHFFFAOYSA-N 326.400 2.090 0 3 EEAF CNC(=O)CCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1 72181197 DFLPWWIAXCMVQF-UHFFFAOYSA-N 333.413 2.464 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2cc(C(N)=O)c3[nH]ccc3c2)cc1 71329205 BQWHIFFLANBUPP-UHFFFAOYSA-N 329.381 2.305 0 1 EEAF CCN1CCN(c2cc(-c3n[nH]c4ccc(OC)cc34)ncn2)CC1 225557528 ILJQCEIEOUZIQS-UHFFFAOYSA-N 338.415 2.170 0 1 EEAF O=C(NC1CC1)c1cc(Cc2nnc(O)c3c2NCCC3)ccc1F 84690124 GSUDRDASUYGWAN-UHFFFAOYSA-N 342.374 2.162 0 1 EEAF CCn1nnc2c1=c1ccccc1=c1nnn(CC)c1=c1ccccc1=2 263621305 YRZRZRBFIALCLI-UHFFFAOYSA-N 342.406 2.371 0 1 EEAF in-vitro CCOc1ccc2c(c1)n1ncc(C(=O)c3cccs3)c1[nH][n+]2=O 377803816 QVHHIXYCBYRTFH-UHFFFAOYSA-O 341.372 2.421 0 1 EEAF Cc1csc([C@@](O)(Cc2nc3cnncc3[nH]2)C(F)(F)F)n1 587094373 QRSUXFCVIXEECJ-NSHDSACASA-N 329.307 2.110 0 1 EEAF O=C1CSC[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)N1 587044562 YTMUJDDTOBTFBO-VIFPVBQESA-N 330.182 2.369 0 1 EEAF CNS(=O)(=O)c1cc(-c2nc3c4c(ccc3[nH]2)CCCC4)n(C)c1 586947558 SEEILYDRZLMGEJ-UHFFFAOYSA-N 344.440 2.355 0 1 EEAF CCOC(=O)C(=C1SCS1)c1ccc2c(O)nc(O)nc2n1 587563554 JQTXCCYLVSOFSL-UHFFFAOYSA-N 337.382 2.105 0 1 EEAF CCOC(=O)C[C@]1([C@H]2CCOC2)CC(=O)c2cc(C)cc(N)c2O1 587411490 JWRIGCHHGTZCCX-SGTLLEGYSA-N 333.384 2.271 0 1 EEAF CCOC(=O)C(=O)C[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587399795 MGSOIEVCZVGTHD-GOSISDBHSA-N 333.384 2.460 0 1 EEAF C[C@]1(Cn2cnc3ccsc3c2=O)NCCc2ccc(O)cc21 963341979 PHCJNFORJIYHPT-QGZVFWFLSA-N 327.409 2.225 0 1 EEAF CC(C)NC(=O)Nc1ncnc2c1cnn2CCN1CCCCCC1 147771820 YWXXTHVPXUZNGG-UHFFFAOYSA-N 345.451 2.232 0 1 EEAF COc1ccc2c(c1)=C(c1ccc(C)o1)NN=C(c1ccccc1)N=2 100567093 AWHGYFIVBICPHB-UHFFFAOYSA-N 331.375 2.338 0 3 EEAF O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1Cc2c(sc3ccccc23)CN1 27108894 SVRBBAYDEIWDKC-ZNMIVQPWSA-N 330.453 2.335 0 1 EEAF C[C@@]1(c2cccc(NC(=O)c3ncc(F)cc3F)c2)COCC(N)=N1 115391304 AWZZTBXSMJAMSX-KRWDZBQOSA-N 346.337 2.215 0 1 EEAF CCNC(=O)[C@]1(C)CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 61895588 YGSYVNJBMMFSBB-GOSISDBHSA-N 334.464 2.325 0 3 EEAF CC[C@@H]1C(=O)N2C=CS[C@H]2N(Cc2cc(OC)cc(OC)c2)C1=O 28769674 KVWSCUSPDXHTIC-RHSMWYFYSA-N 348.424 2.402 0 1 EEAF C[C@]12CC=C3NC(=O)C=C3[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@](O)(CO)C3 2356528874 LFQHFBNBQFFFGO-GXVGICSRSA-N 329.440 2.276 0 1 EEAF O=C(CN1CCN(C2CCC2)CC1)[C@@](O)(c1ccccc1)C1CCC1 22940319 JTTYXNMXDRFZJJ-OAQYLSRUSA-N 342.483 2.414 0 1 EEAF C[C@H](O)CCCCC[C@@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@@H](O)O1 2356719437 YULTUTUKMKNZHP-JHXNIKBNSA-N 340.372 2.060 0 1 EEAF COc1ccc(C2=CN(c3ccccc3)[C]3N=CN(N)C(N)=C32)cc1 2356812878 VEMGTGWRNWUFLN-UHFFFAOYSA-N 332.387 2.434 0 1 EEAF CCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](CC)N2 82224308 VKXNAPOKYYEKDF-LBPRGKRZSA-N 334.445 2.298 0 1 EEAF NC(=O)c1ccc(N2CCN[C@@H](c3ccccc3)C2)c2cccnc12 143647401 AWKXLJAIVDKYLK-QGZVFWFLSA-N 332.407 2.485 0 1 EEAF Cc1cc(C)c(C(=O)N[C@H](C2CCNCC2)C2CC(O)C2)c(C)c1 230596536 ZCMRQOYAZHHSLX-FAFZWHIHSA-N 330.472 2.481 0 1 EEAF CC(=O)O[C@H]1C[C@H]2C[C@H](OC(=O)/C=C\c3ccccc3)C[C@H]1N2C 253639189 QKTXQEDBXGTOFH-NEQKNFBZSA-N 329.396 2.410 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnccn1 587867700 MYUQQZRGIFFVKM-UHFFFAOYSA-N 349.272 2.451 0 1 EEAF O=C1CSc2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2N1 587043236 JNZLRMRECRRGDI-UHFFFAOYSA-N 331.382 2.058 0 1 EEAF Nc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cn1 586967273 SQHHWKXVHFSTEL-UHFFFAOYSA-N 325.357 2.277 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(c1c(C)nc(O)nc1S)[C@@H](C2)C3=O 587454426 YORCKURAIOBQHC-BTDLBPIBSA-N 344.392 2.451 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CN1C(=O)c3ccccc3C1=O)O2 587391150 KZYVEMPBMSISEF-NSHDSACASA-N 336.347 2.207 0 1 EEAF CC(=O)OCCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587393219 ZVKFOVSEKVPDGV-MRXNPFEDSA-N 329.356 2.043 0 1 EEAF CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(S(N)(=O)=O)cc2C1 13686386 XBYJCVDSFWJBSM-OAHLLOKOSA-N 338.473 2.134 0 1 EEAF in-vivo COc1ccc(-c2nnn(CC(=O)OC3CCCCC3)n2)cc1OC 4130274 RVOFYUWFRORELD-UHFFFAOYSA-N 346.387 2.233 0 3 EEAF COC(=O)c1cc2c(cn1)[C@@]13C[C@H](OC)CC=C1CCN3CCC2 2356434055 CESLPEVVJXRVQA-DNVCBOLYSA-N 328.412 2.451 0 1 EEAF O=S(=O)(c1ccc(F)cc1)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1 74376995 UFTHNJIUBHFQNR-HOTGVXAUSA-N 346.383 2.249 0 3 EEAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587092500 QBYOKRPZZCCQMN-ZETCQYMHSA-N 349.334 2.096 0 1 EEAF NS(=O)(=O)Cc1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 586929310 ASHBNXCPUXARRO-UHFFFAOYSA-N 340.767 2.206 0 1 EEAF O=C(O)[C@@H](O)[C@H](O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586891796 QMGWTMQJLZZFSV-KBPBESRZSA-N 330.365 2.193 0 1 EEAF CCOC(=O)CCOCCCOCCc1nc2cc(C)cnc2[nH]1 587570038 UGBOAAPNFHRGSE-UHFFFAOYSA-N 335.404 2.185 0 1 EEAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(S(=O)(=O)O)cc3[nH]1)C2 586884439 IDKDGQBFSIRYBB-GARJFASQSA-N 332.381 2.448 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CN2CCOCC2)N1 587774014 LKPYCYNXEZJWGD-GXFFZTMASA-N 343.240 2.496 0 1 EEAF Cc1cc(-n2c(O)cc(CC(=O)O)c2O)nn1Cc1ccccc1F 587944259 BTDUTURXGNCCMD-UHFFFAOYSA-N 345.330 2.208 0 1 EEAF CCNC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(Cl)c1 169317262 XYDXZURYYHANBE-LBPRGKRZSA-N 329.828 2.219 0 1 EEAF CC1=C[C@H]([C@@H](O)/C(C)=C/COc2ccc3ccc(=O)oc3c2)OC1=O 15212256 JYYSLADUUKHTSY-DDIQYJBLSA-N 342.347 2.351 0 1 EEAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1OCCO 2006852 DJELTHIJGDTVJH-KRWDZBQOSA-N 330.771 2.465 0 1 EEAF CN(C)C[C@@H]1O[C@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@H]1O 2356353403 NHZXAWYHZAQHLG-JZXOWHBKSA-N 332.400 2.060 0 1 EEAF C[C@H]1C[C@@H]2[C@H](CC[C@](C)(O)/C=C3\[C@H](O)[C@@H](C)C[C@@]3(O)C1=O)C2(C)C 102906919 ZFDMXNDICCVTAD-UHDCMSQOSA-N 336.472 2.457 0 1 EEAF O=C(c1ccc(O)cc1)N1CC(=O)N2CCCc3ccccc3[C@H]2C1 26176668 PLSGZRBVAXPECD-GOSISDBHSA-N 336.391 2.364 0 1 EEAF CCOCCCNC(=O)c1sc(N2CCCC2)nc1COCC 21651573 ZVTCLBKSRHAMFH-UHFFFAOYSA-N 341.477 2.436 0 1 EEAF CC=C(C)C(=O)OC[C@@](C)(O)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 2356643143 IVIDHJTYZDMSNL-HNAYVOBHSA-N 344.363 2.357 0 1 EEAF CC(C)[C@@H]1OC(=O)C=C2[C@]13O[C@H]3[C@@H]1OC(=O)[C@@]3(C)CC=C[C@]2(C)[C@@H]13 14594179 BPKZEVWJRJYUOW-HSTZUDBKSA-N 330.380 2.160 0 1 EEAF biogenic Cc1c(C(=O)OCc2ccccc2)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] 73370274 BFOBPUXZPPPYES-UHFFFAOYSA-N 346.289 2.050 0 1 EEAF CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1 40916832 HUGQKIWTNMQGCP-QGZVFWFLSA-N 330.453 2.477 0 1 EEAF O=C1C[C@H]2C(=C3c4c2ccc(O)c4[C@@H](O)C[C@@H]3O)c2cccc(O)c21 82150362 PBYZCDIEUANPBF-ONERCXAPSA-N 336.343 2.490 0 1 EEAF CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Oc1cccc2oc(=O)[nH]c12 95604928 NIBOYHCCLFSDFO-SNVBAGLBSA-N 348.355 2.426 0 1 EEAF Cc1c(NC(N)=O)cccc1-c1nc2c(S)nc(S)nc2[nH]1 587239847 YSTRGUTWBAXCKZ-UHFFFAOYSA-N 332.414 2.396 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnnn2C)N1 587758402 ITMMGBUIKDYQQG-WPPNPWJKSA-N 325.185 2.340 0 1 EEAF CN1CCN(c2ccc3nc(C(C)(C)SCC(=O)O)[nH]c3c2)CC1 586958800 GOICTAMPLCWUMH-UHFFFAOYSA-N 348.472 2.368 0 1 EEAF COc1ccc(Cc2nc3nc(O)nc(O)c3cc2C)cc1OC 587559695 LKDQGFCNTACYNC-UHFFFAOYSA-N 327.340 2.352 0 1 EEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cncc(Cl)c2[nH]1 586951774 ZAQBWJWRAXIPAQ-UHFFFAOYSA-N 343.821 2.415 0 1 EEAF C[C@H](Oc1cccc([C@@]2(C)c3nn(C)cc3CCN2C)c1)C(=O)O 963955373 PMBRRQKOJJSLGW-SGTLLEGYSA-N 329.400 2.023 0 1 EEAF C=C(C)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]21 13325237 IXOAQFFFKPCXLB-ZMDBBBMDSA-N 332.396 2.165 0 1 EEAF biogenic COc1ccc(CCN2[C@H]3[C@@H]4[C@H]5[C@@H]6C[C@@H]7[C@H]5[C@@H]4[C@@]2(O)[C@H]7[C@@H]63)cc1OC 169291957 KULMFBVVFDTVNX-NAZZJRSZSA-N 339.435 2.007 0 1 EEAF CCCCNc1nc(N)c2nc(O)n(Cc3ccc(Cl)nc3)c2n1 1553700 OEUBGVYHYRETGV-UHFFFAOYSA-N 347.810 2.423 0 1 EEAF COc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H](C)C[C@@H]2O)ccc1O 2356358070 WYRGHFKMUBYIDM-FXBSTXGRSA-N 334.412 2.227 0 1 EEAF CC(=O)OC[C@@H]1O[C@H](c2ccc(C(C)=O)cc2)C=C[C@H]1OC(C)=O 7992092 BKSSBIOYXWUVQT-KSZLIROESA-N 332.352 2.380 0 1 EEAF COC(=O)[C@@H](CCSC)NC(=O)NCCc1c[nH]c2ccccc12 8205429 NKQIPIKYKJRORO-OAHLLOKOSA-N 349.456 2.304 0 1 EEAF biogenic Cc1ccc(-c2nnc(NC(=O)C[C@H]3SC(=O)NC3=O)s2)cc1 103284976 VZBDMMVHQYNDOB-SECBINFHSA-N 348.409 2.194 0 1 EEAF O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)N1CCCCC1 103901150 GIXDXDIDZSZORW-UHFFFAOYSA-N 345.424 2.043 0 3 EEAF O=S(=O)(NCCCCc1c[nH]cn1)NCc1ccccc1Cl 26832062 LWNJLTDBVICRDO-UHFFFAOYSA-N 342.852 2.010 0 1 EEAF Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3nccs3)cn2)cc1 116781592 SEHZMIJPUHLHJS-UHFFFAOYSA-N 348.409 2.137 0 1 EEAF CC1(C)[C@H]2C[C@]3(O)CC(=O)[C@@H](C4=COc5ccccc5[C@@H]41)[C@@H]2[C@@H]3O 2356706350 CKEZIBBDMDFHQQ-QLMATZJQSA-N 326.392 2.403 0 1 EEAF CCCn1c(=O)c2nc(NC3CCCCC3)[nH]c2n(CCC)c1=O 29554288 NYRQDQZPNUIGHI-UHFFFAOYSA-N 333.436 2.451 0 1 EEAF CN(C)CCNC1=NC(=O)/C(=C/c2ccc3ncccc3c2)S1 38692000 BUABATYPAYQOMQ-PTNGSMBKSA-N 326.425 2.356 0 1 EEAF CCOC(=O)c1ccc(OCC2CN(c3ccc(C)nn3)C2)cc1 72127521 DLKJQHYJZRHBSL-UHFFFAOYSA-N 327.384 2.477 0 1 EEAF CN1CCN(C(=O)c2ccc3c(c2)Oc2ccccc2[C@]3(C)O)CC1 45354890 ZNKYJAKDSAXDPV-FQEVSTJZSA-N 338.407 2.436 0 1 EEAF CC(=O)c1cccc2c1CCN1C(=O)CN=C(n3cnc(C)c3)C=C21 149142298 ITKTZKZAEZBOLW-UHFFFAOYSA-N 334.379 2.080 0 1 EEAF CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4ccns4)cc32)N=C1N 95602077 IEVIHEIDGYLQMX-QGZVFWFLSA-N 342.424 2.353 0 1 EEAF CCN1CCC(n2cc(CN3CC[C@@H]4SC=C[C@H]4C3)nn2)CC1 299845217 SLBOIEZSALKLLZ-YOEHRIQHSA-N 333.505 2.386 0 1 EEAF CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2CC(F)C2)n1 653670155 QTEDDZWFUHQERY-UHFFFAOYSA-N 339.321 2.443 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COCC(=O)C2)N1 587837074 ZFAWOEWFYBUUJQ-RMLUDKJBSA-N 328.181 2.307 0 1 EEAF CC(C)(CC(=O)O)Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 587956122 UYSRCRPQSLNFDE-UHFFFAOYSA-N 331.416 2.439 0 1 EEAF CN(C)CCOc1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 586970418 ZQBONTHCCPXWDC-UHFFFAOYSA-N 344.440 2.429 0 1 EEAF Cc1c(O)ccc2c1[C@@H](c1cncnc1C(C)(C)F)N[C@H](C(=O)O)C2 963521412 CARYZTDIGLYHIR-SWLSCSKDSA-N 345.374 2.384 0 1 EEAF CC(=O)OC[C@@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962657470 BVAANHSDJMENND-RBUKOAKNSA-N 342.395 2.112 0 1 EEAF O=C(NCc1ccc(Cl)cc1)[C@@]1(O)CCN(c2ccccc2)C1=O 147130338 QFTHJWPUKORXPM-SFHVURJKSA-N 344.798 2.124 0 1 EEAF COc1c2c(cc3c1[C@H](OC)N1CC[C@@]34C=C[C@@H](OC)C[C@@H]14)OCO2 14677518 PPHRXIAAESPDMQ-JKTDROMQSA-N 345.395 2.370 0 1 EEAF biogenic Cc1noc(C)c1-n1sc(=O)n(Cc2ccc(Cl)cc2)c1=O 1911583212 JSFNIICCPFBXEO-UHFFFAOYSA-N 337.788 2.367 0 1 EEAF COc1ccccc1-n1nnc(S(=O)(=O)c2ccccc2)c1C 9611228 OXVGOCKWJWJZIA-UHFFFAOYSA-N 329.381 2.417 0 1 EEAF CC(=O)[C@@H]1C(=O)[C@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 100382715 TZCOBUQKVNFIQF-LBRJOISOSA-N 336.391 2.201 0 1 EEAF CCN1CCCC[C@H](NC(=O)c2cc3nnn(CC)c3cc2OC)C1 26154316 JFKOBWHNHXJKBG-ZDUSSCGKSA-N 345.447 2.064 0 1 EEAF COc1c(C)cc([C@@H]2O[C@H](C)C[C@H](CC(=O)O)O2)c2c1C(=O)OC2 2356813753 BUFKSCQYVNMSCC-VHCOLVSPSA-N 336.340 2.341 0 1 EEAF CC(=O)C[C@@H](O)CC(=O)[C@H]1OC(=O)CC/C=C\Cc2ccccc21 36389191 LBRGXKIEUSFACK-RITUYPHNSA-N 330.380 2.463 0 3 EEAF CC(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 82196239 NRMIBCLQZOWGML-UHFFFAOYSA-N 340.383 2.062 0 1 EEAF Nc1nc(O)nc(O)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512096 UDYOIBQXIDYKBP-GFCCVEGCSA-N 327.340 2.055 0 1 EEAF COC(=O)[C@@H](C)[C@@]1(c2cnccn2)CC(=O)c2cc(C)cc(N)c2O1 587394120 QROKUSMTHSZIHG-ADLMAVQZSA-N 341.367 2.037 0 1 EEAF CN1[C@H]2C[C@H](O)[C@H]1C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518097 ALDGFBJBDPWKFO-RFHZUNJHSA-N 327.424 2.497 0 1 EEAF NC(=O)c1ccccc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963239136 ZXMCKSSKXJDARI-MSOLQXFVSA-N 347.374 2.022 0 1 EEAF CN(Cc1ccc(F)cc1)c1cc(C(=O)Nc2nncs2)ncn1 1772629063 YHTGRXIQNIBUBT-UHFFFAOYSA-N 344.375 2.356 0 1 EEAF CN(C)c1nc(N)c2c(n1)OCC(c1ccc(Br)cc1)=N2 169307715 IZBXOYXUNYMFKO-UHFFFAOYSA-N 348.204 2.401 0 1 EEAF NCc1cc(Oc2cccc(C(=O)N3CCc4ccncc43)c2)ncn1 1857544734 PHFLDVWYJRQQHM-UHFFFAOYSA-N 347.378 2.326 0 1 EEAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 2356291266 PDCBYDDYZVINDH-TWMKSMIVSA-N 349.519 2.310 0 1 EEAF C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)CCN1 103282149 UPPHDMZWSRDEJD-LBPRGKRZSA-N 343.427 2.253 0 1 EEAF COC1=C(C)C(=O)OC1=C(O)[C@H](C)[C@@H]1[C@@H](O)CCCN2CCC[C@H]12 2356787814 VTPSFGZNDASQAV-ZZVYKPCYSA-N 337.416 2.105 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Cl 35323208 ATWGPAAGZWQRJW-QAOKCCKXSA-N 342.782 2.038 0 1 EEAF C[C@@H]1C[C@H]2OC(=O)C3=C2[C@H](C[C@@H](O)C3)[C@@]12C[C@@H](c1ccoc1)OC2=O 197330385 XLQJYGFATWOSDL-VWMCHJKXSA-N 344.363 2.287 0 1 EEAF Cn1cc(-c2cnc3nnn(Cc4cc5cccnc5s4)c3n2)cn1 149915876 HBBALKBTOWSTGZ-UHFFFAOYSA-N 348.395 2.280 0 1 EEAF CCOC(=O)[C@@H]1C(=O)[C@H](C(C)=O)C(=O)C[C@H]1C[C@@H](C)SCC 142524187 RTYSMJMWAJSKON-IMJCEVDSSA-N 328.430 2.061 0 3 EEAF CC(C)[C@H]1COCc2cn(nn2)CC[C@@H](Cc2ccccc2)C(=O)N1 95898395 QOGRSGMMWNTNNL-FUHWJXTLSA-N 342.443 2.198 0 1 EEAF O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccncc1 653706040 UEQGRPBCHZRURB-UHFFFAOYSA-N 342.418 2.163 0 1 EEAF N=c1[nH]c2nc(Cn3cc(-c4ccc(F)cc4)cn3)nc-2c(Cl)[nH]1 587165332 QYCKHJJWRMTKPR-UHFFFAOYSA-N 343.753 2.421 0 1 EEAF Nc1ncncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576816 PUUUJNZMDBUBFV-PBHICJAKSA-N 335.319 2.467 0 1 EEAF CNc1ncnc(Cl)c1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962934055 IXJICBMBWIIHPZ-AWEZNQCLSA-N 345.834 2.109 0 1 EEAF N[C@H](Cc1cc(Cl)c(O)c(-c2cccc(C(=O)O)c2)c1)C(=O)O 1772640180 AJSKAMNJPBJFGZ-CYBMUJFWSA-N 335.743 2.365 0 1 EEAF CNC[C@@H](O)CN1CCc2c(cccc2OCc2ccc(F)cc2)C1 1857617311 YALVTUCSYPQWQV-GOSISDBHSA-N 344.430 2.343 0 1 EEAF CCC[C@]1(O)CC(=O)c2c(Cc3cc(=O)cc(O)o3)cccc2O1 1857654331 BAVQXBXBCIDJKT-GOSISDBHSA-N 330.336 2.390 0 1 EEAF COc1ccc2[nH]c([S@](=O)Cc3cc(N(C)C)c(F)cn3)nc2c1 2897 PPQIOKMPJFYKGJ-DEOSSOPVSA-N 348.403 2.479 0 1 EEAF CCc1cc(C(=O)OC)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 81683 CYHGZIVWKOOGOU-JDNZLRHBSA-N 331.393 2.409 0 1 EEAF Cc1cc(-n2ncc(=O)[nH]c2=O)ccc1C(=O)c1ccc(Cl)cc1 25963987 KEZNSCMBVRNOHO-UHFFFAOYSA-N 341.754 2.114 0 1 EEAF CN1CCN(Cc2cc(Cl)cc(Cl)c2)[C@H](C2=NCCN2)C1 55906565 VKJOMDWMOSPJLM-AWEZNQCLSA-N 327.259 2.111 0 1 EEAF N[C@@](CCc1cccc(C(F)(F)F)c1)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O 27211495 SUBNOKFHGUEIMG-MISXGVKJSA-N 331.290 2.141 0 1 EEAF C[C@H](CCc1cccc(F)c1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27736496 WGKXQUYYWFGQBK-XIKOKIGWSA-N 346.402 2.275 0 1 EEAF COC(=O)[C@H](CCSC)NC(=O)c1cc2cc(OC)ccc2o1 146998111 GGRRRODITJJJGS-LBPRGKRZSA-N 337.397 2.466 0 1 EEAF CN1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 95875507 IONGPUPOKVRUOO-XHSDSOJGSA-N 339.277 2.303 0 1 EEAF Cc1cc(CN2C[C@H]3CCCO[C@@H]3[C@H](Nc3ccccn3)C2)no1 299842228 MEPVEZNUTQPKCB-KYJSFNMBSA-N 328.416 2.470 0 1 EEAF CCN(CC)CCN1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@H]21 299842316 FWKZRKQGNDOTFZ-GUDVDZBRSA-N 333.476 2.172 0 1 EEAF Cn1ncc(C(=O)c2ccc3c(c2)n(C2CCCC2)c(=O)n3C)c1O 299865127 NHPJESKIFWYVAZ-UHFFFAOYSA-N 340.383 2.125 0 1 EEAF CC1(C)OC(=O)C(c2nc3ccc(Br)c(F)c3[nH]2)=C1N 587255189 HTHDYWVGDTWDQI-UHFFFAOYSA-N 340.152 2.470 0 1 EEAF CC(C)(C)OC(=O)N(Cc1nc2ncc[nH]c-2n1)C[C@@H]1CCCO1 587197907 XISUZXFNEBZVES-NSHDSACASA-N 333.392 2.221 0 1 EEAF CCCn1c(=O)c2c(nc(-c3ccccc3)n2C)n(CCC)c1=O 12405608 BRULSDYQESRVGY-UHFFFAOYSA-N 326.400 2.384 0 1 EEAF COc1ccc([C@H]2c3c(n[nH]c3C)C[C@@](C)(O)[C@@H]2C(C)=O)cc1OC 19134717 MBIMTDRCHGLGLC-IPMKNSEASA-N 344.411 2.380 0 1 EEAF O=C(NCc1ccc(F)cc1)[C@@H]1CC[C@@H](c2ccccn2)NC1=O 209075017 PACMYYQTBCRONV-HOCLYGCPSA-N 327.359 2.104 0 1 EEAF O=C(COc1ccccc1)NC[C@@H]1COCc2nc3ccccc3n21 2356388357 BTYYNQHMUNKWOL-CQSZACIVSA-N 337.379 2.303 0 1 EEAF Cc1noc(C)c1-n1sc(=O)n(Cc2ccccc2Cl)c1=O 1911579189 NWKCMGQFVBUOON-UHFFFAOYSA-N 337.788 2.367 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1cccc(Cl)c1 102324804 KVTCHDSYFPESLK-JRULLXGZSA-N 342.782 2.038 0 1 EEAF CNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 29544677 RWKCTZZBGCWHCD-UHFFFAOYSA-N 331.397 2.189 0 1 EEAF C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O 238764019 WGVIRXSVGNPFAX-PXWMZSRESA-N 334.412 2.360 0 1 EEAF CC[C@@H](CO)Nc1nc(Nc2ncccn2)c2ncn(C(C)C)c2n1 95594104 CLTIRFBQVYXMKS-NSHDSACASA-N 342.407 2.124 0 1 EEAF COc1ccc2c(c1)CN1C(=O)N(C3CCCC3)S(=O)(=O)C[C@@H]21 96020199 QTEPXGPWPNIBJD-HNNXBMFYSA-N 336.413 2.260 0 3 EEAF CCOC(=O)[C@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 587395858 VEDNOEHXFHLSHT-GOSISDBHSA-N 326.352 2.396 0 1 EEAF COC(=O)C[C@]1(c2ccco2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452539 DSEDQSIUVNBTSQ-XIKOKIGWSA-N 328.320 2.494 0 1 EEAF Cc1c(O)ccc2c1[C@@](C)(C1=CCC[C@@H]3CC[C@H]1N3)N[C@H](C(=O)O)C2 963506120 FOHDWVQOBVEJOC-BCEDRHLLSA-N 342.439 2.356 0 1 EEAF COc1ccc([C@H]2c3nn(C)cc3CCN2C)c2cc(C(=O)O)oc12 963953560 BCLCYMPFJKWPSW-INIZCTEOSA-N 341.367 2.450 0 1 EEAF CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1 12314044 XXEHRBCKHKOXMA-INIZCTEOSA-N 346.475 2.340 0 3 EEAF O=C(O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 13427291 HRIMAEHEKSQLQV-WHOHXGKFSA-N 327.258 2.298 0 1 EEAF CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ncccc1O 13746087 LVAXCYAGEXHOKJ-XMMPIXPASA-N 342.424 2.347 0 1 EEAF O=C(Nc1cnc2ccccn2c1=O)OCc1ccc2c(c1)OCO2 169313117 KIIQRFSBIQPRSI-UHFFFAOYSA-N 339.307 2.172 0 1 EEAF C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 169342727 GVRXIDPSFXZQGC-JTQLQIEISA-N 349.398 2.302 0 1 EEAF O=C(O)C[C@](O)(CSCCCCCCc1cccnc1)C(=O)O 27109187 NTWQPYNXMBYQNQ-INIZCTEOSA-N 341.429 2.208 0 1 EEAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4049356 KGYBGXTUVDYEFB-UXLLHSPISA-N 328.368 2.259 0 1 EEAF COc1cccc(Nc2nc(NCCO)nc3c2NCN3C(C)C)c1 70719113 VLJIFFWMJNBZGH-UHFFFAOYSA-N 344.419 2.231 0 1 EEAF COc1c2c(c(O)c3c1C(=O)C1=C(C3=O)[C@H](C)O[C@H](C)C1)OCO2 14827938 XMTMJWRDSFDUBF-RQJHMYQMSA-N 332.308 2.002 0 1 EEAF biogenic NC(=O)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1 40430272 UKNGIFKYRYBARW-UHFFFAOYSA-N 331.339 2.029 0 1 EEAF CNCCCN1Cc2ccccc2N(c2ccccc2)S1(=O)=O 49052752 UBBWGPMMVOSPDJ-UHFFFAOYSA-N 331.441 2.495 0 1 EEAF C[C@@H]1CN(CC(=O)N2CCc3ccc(Cc4ccccc4)cc32)CCN1 221249162 UAZAHEZLGNDXAO-QGZVFWFLSA-N 349.478 2.460 0 1 EEAF NC(=O)c1ccc(N[C@H]2CNCC[C@H]2c2ccccc2)c2cncnc12 143756498 TVDXVEYZPBAGQH-KSSFIOAISA-N 347.422 2.286 0 1 EEAF CC(C)[C@H]1CCc2cnnn2COC[C@H](c2ccccc2)NC1=O 95664346 BLLMHWIQWHTLMU-IAGOWNOFSA-N 328.416 2.328 0 1 EEAF Cc1noc(-c2ccc(N3C[C@@H](Cn4cccn4)OC3=O)cc2)n1 96928830 GRIUBUMTCNSKIA-CQSZACIVSA-N 325.328 2.267 0 1 EEAF NC(=O)c1cccc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c12 587255002 UPRPSXVEWJVDFF-UHFFFAOYSA-N 330.351 2.368 0 1 EEAF FC(F)(F)c1ccn(Cc2cc(-c3nc4ncncc4[nH]3)no2)n1 587119884 KRTQXWXBUAXLAD-UHFFFAOYSA-N 335.249 2.272 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(S(C)(=O)=O)ccc1O)O2 587407605 AWIRWWRBVITNOA-MRXNPFEDSA-N 347.392 2.393 0 1 EEAF CCc1ccccc1NC(=O)c1nc2c(S(N)(=O)=O)cccc2[nH]1 587241583 XPRHBRPOIDRJET-UHFFFAOYSA-N 344.396 2.025 0 1 EEAF COc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)sn1 963233016 SVHFCPKDORYTPN-BBRMVZONSA-N 341.392 2.388 0 1 EEAF CC(=O)Nc1nc(C)c([C@]2(C)NCCc3nc4ccccn4c32)s1 962985548 FXEWQMMMBCEUDN-QGZVFWFLSA-N 341.440 2.467 0 1 EEAF O=C(NC1C[C@H]2COC[C@@H](C1)N2)c1cn(CC(F)F)c2ccccc12 1772629290 ZLCUKIJHPADQAN-YHWZYXNKSA-N 349.381 2.156 0 1 EEAF CC1=C[C@@H](O/C=C2/C(=O)O[C@H]3C4=C(C[C@@H]23)[C@@H](O)CCC4(C)C)OC1=O 14717647 VOFXXOPWCBSPAA-QYEMAVJPSA-N 346.379 2.139 0 1 EEAF endogenous,in-man Cc1nc2c(nnn2-c2cccc(C(=O)c3ccccc3)c2)c(=O)[nH]1 169346567 DFCRRWQHSHBIGG-UHFFFAOYSA-N 331.335 2.043 0 1 EEAF CC(=O)c1ccc2[nH]c(=O)n(C(=O)OC3C[C@@H]4CC[C@@H](C3)N4C)c2c1 100649634 RCCOORHLAOKFMR-STQMWFEESA-N 343.383 2.142 0 1 EEAF CCc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CCOCC2)nc1 107205689 GRNFDYLSMRQQJF-IRXDYDNUSA-N 344.459 2.035 0 1 EEAF O=C(O)CN1C(=O)[C@H](OC(=O)c2ccccc2)CCc2ccccc21 53243708 MGGCSZNTRKNNQI-MRXNPFEDSA-N 339.347 2.276 0 1 EEAF COc1cc(N2CCc3nc(NC(C)=O)sc3C2)cnc1OC 68245417 AEBGEOPWIKDRRJ-UHFFFAOYSA-N 334.401 2.076 0 1 EEAF CCOC(=O)CCn1cnc2onc(-c3ccc(OC)cc3)c2c1=O 20858619 KIECMMDXZOPIJK-UHFFFAOYSA-N 343.339 2.013 0 1 EEAF CN1CCN(C2=Nc3cc(F)c(F)cc3Nc3nn(C)cc32)CC1 26576188 ALXJJOOZCXXJCK-UHFFFAOYSA-N 332.358 2.081 0 1 EEAF COc1ccc2c(CN3CCCCC3)cn(CCNC(C)=O)c2n1 71315969 DFNVWYIFMXUJRF-UHFFFAOYSA-N 330.432 2.167 0 1 EEAF COC1=C[C@@H](O)C[C@@H](C)[C@]12Oc1c(Cl)c(O)cc(OC)c1C2=O 40949402 JDWOVZABPZINND-BJLCURGVSA-N 340.759 2.299 0 1 EEAF CN1C(=O)N(c2ccc(F)cc2)C(=O)[C@]12OC(=O)c1ccccc12 40567120 ISBUWLQOCPSROA-KRWDZBQOSA-N 326.283 2.248 0 1 EEAF COC[C@@H](O)CN1CCC(=O)N(Cc2ccco2)Cc2ccccc21 299852555 UPVZHLYAGJFFNU-INIZCTEOSA-N 344.411 2.026 0 1 EEAF N[C@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)C[C@@H]1c1ccccc1F 587153774 CSKMJKNBWGPYSM-BDJLRTHQSA-N 347.371 2.290 0 1 EEAF COC(=O)c1cc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2cn1 587234732 UMDAPVJXCIOEFG-UHFFFAOYSA-N 330.388 2.286 0 1 EEAF CCOC(=O)C[C@@]1(c2ccncc2)NCCc2c(C(=O)O)cccc21 963155452 YMAITGPKNGVPRA-IBGZPJMESA-N 340.379 2.122 0 1 EEAF CCCCCCN1C=N[C@H]2C(=O)NC(Cc3ccc(OC)cc3)=N[C@@H]21 1857613659 DGXPTBNZMJWUOG-QZTJIDSGSA-N 342.443 2.385 0 1 EEAF O=C(c1csnn1)N1CCC2(CCCN(c3ccccn3)C2)CC1 3956163 VFDMBHJCLAMSMI-UHFFFAOYSA-N 343.456 2.456 0 1 EEAF O=C(N1C[C@H]2CC[C@@H](C2)C1)N1C[C@@H]2CN(c3ccccn3)C[C@@H]2C1 101695031 SUJOVYPQNKHIBN-LUKYLMHMSA-N 326.444 2.302 0 1 EEAF O=C([C@@H]1CSCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1)N1CCCC1 26479745 KRXCOGMYNYSTPD-OAGGEKHMSA-N 330.453 2.314 0 1 EEAF O=P(O)(O)C[C@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1 26002131 ZMEJOIYGSSKOQA-HNNXBMFYSA-N 344.311 2.371 0 1 EEAF COC(=O)C1=CC(O)=C[C@H]2Oc3c(Cl)c(C)cc(O)c3C(=O)[C@H]12 2356794077 HSRPMLAZSLQBEY-GHMZBOCLSA-N 336.727 2.469 0 1 EEAF CC(C)CN1CC(=O)N2[C@@H](C)c3[nH]c4ccccc4c3C[C@@H]2C1=O 16043122 QBTWTINDWOTION-BLLLJJGKSA-N 325.412 2.480 0 1 EEAF biogenic Cc1c(C(=O)NCc2ccccc2)[n+](=O)c2cc(F)ccc2n1O 49111120 XILYQSRWZVSZTG-UHFFFAOYSA-O 328.323 2.171 0 1 EEAF C/C=C1\CN2[C@H]3Cc4c([nH]c5ccccc45)[C@]2(O)C[C@@H]1[C@H]3C(=O)OC 238764862 RWGQUFAQJZEGJD-QRPDTMONSA-N 338.407 2.309 0 1 EEAF COc1ccc([C@@H]2c3ccccc3O[C@H]3NC(=S)N=C(N)[C@H]32)cc1 253870064 LIGQBVAGOUBEQV-BFYDXBDKSA-N 339.420 2.407 0 1 EEAF COCCO[C@H]1CCN(c2ccc(C)nn2)[C@@H]1Cc1cccnc1 299843379 QWIIMLCMZILEQB-SJORKVTESA-N 328.416 2.033 0 1 EEAF C[C@@H]1CC(=O)N([C@H](C)C(=O)NCc2ccccc2C(F)(F)F)C1=O 299868600 RXAAVLGVCKRRBR-NXEZZACHSA-N 342.317 2.105 0 1 EEAF C/C=C\C=C\C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 96904802 CCXXJIBMNGFYAD-SUHGFZJFSA-N 338.429 2.406 0 1 EEAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccncc3)c2)c1 653861171 RQQBJIXYKIFFPH-UHFFFAOYSA-N 348.362 2.407 0 1 EEAF CCCc1c(O)ccc2c1O[C@](C)(CN(C(C)=O)C(C)=O)CC2=O 587467044 BVCITZNFJGNWPJ-SFHVURJKSA-N 333.384 2.464 0 1 EEAF CCCCS(=O)(=O)N[C@H](c1nc2ccnc(OC)c2[nH]1)C(C)C 586932588 HLORGXFVAMHVNZ-LBPRGKRZSA-N 340.449 2.383 0 1 EEAF N[C@@H](CP(=O)(O)O)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586923352 RXQVQXOSQZYWJQ-LURJTMIESA-N 341.251 2.352 0 1 EEAF C[C@@H]1NC=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587795289 OCEGHZAUQYQWFQ-OLBFVZFUSA-N 339.208 2.392 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(N)cnn1C 587871651 ATDYTMVSXQOBSP-UHFFFAOYSA-N 329.335 2.092 0 1 EEAF Cc1c(-c2nc3c(O)ncnc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029299 LWMVQFJKFPQXRN-UHFFFAOYSA-N 340.368 2.208 0 1 EEAF COC(=O)c1ccc2c(-c3ccc4c(O)nc(O)nc4n3)c[nH]c2c1 587554935 LCPJOZOJBOKNLK-UHFFFAOYSA-N 336.307 2.371 0 1 EEAF CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4nc(O)nc(O)c4cc3[C@@H]2C1 587559496 YWEFSVILWIGAIK-GZMMTYOYSA-N 344.371 2.258 0 1 EEAF O=C(O)C[C@@H]1CCC[C@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963218016 FMIUUOHSOZGEKM-UTLVKMTRSA-N 340.379 2.304 0 1 EEAF Cc1cc(C)n(-c2nnc3nnc(-c4ccccc4Cl)n3n2)n1 1772635396 OWMFPGOITGTIAJ-UHFFFAOYSA-N 326.751 2.037 0 1 EEAF COc1nc(=N)[nH]c2c1c(-c1ccc3oc(=N)[nH]c3c1)nn2C(C)C 1857581817 UAOGXXRABSNPRZ-UHFFFAOYSA-N 339.359 2.049 0 1 EEAF Nc1nc(-c2ccco2)nc2sc(CN3CCC(O)CC3)cc12 118595912 KHGJAKBDYWCOCC-UHFFFAOYSA-N 330.413 2.490 0 1 EEAF O=C(CCCCC1CCCCC1)OC[C@@H](O)[C@@H]1OC(=O)C(O)=C1O 100366235 SKTIFPADXLJREZ-WBMJQRKESA-N 342.388 2.284 0 1 EEAF COc1cc([C@@H]2[C@H](O)CC=C3CCN(C)[C@@H]32)c(C=O)c(OC)c1OC 2356716366 KQGUTTVDQZKMQP-OIISXLGYSA-N 347.411 2.004 0 1 EEAF CNC(=O)c1cc([C@@H](O)CN[C@H](C)CCc2ccccc2)ccc1O 27737242 IGMABZYDUYLHHS-KUHUBIRLSA-N 342.439 2.396 0 1 EEAF COC(=O)C1=C(N2CC=CC2)[C@@H]2c3ccccc3S[C@@]12C(=O)OC 36152486 JOOFCOJJOMBCNM-SCLBCKFNSA-N 343.404 2.100 0 1 EEAF O=C(O)CNC(=O)c1ncc(-c2ccc3cc(O)ccc3c2)cc1O 95588319 ITDVLBGAPZAPRP-UHFFFAOYSA-N 338.319 2.127 0 1 EEAF C[C@H](CCCCCC/C=C/C(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1O 263614568 NEVPBIQTDNVVMK-RCZJXKJUSA-N 330.421 2.230 0 1 EEAF in-vitro COc1cc2c3c(c1)O[C@]1(CCCn4nc(C(=O)O)cc41)[C@@H](C2)C3=O 587436571 RKYCLKZQDYICFF-BBATYDOGSA-N 340.335 2.027 0 1 EEAF O=C(O)c1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O 587946819 NHQVQWLSLPPHLO-UHFFFAOYSA-N 329.287 2.107 0 1 EEAF Oc1nc(O)c2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2n1 587093988 XLBHRMRBIJHJOB-UHFFFAOYSA-N 343.290 2.481 0 1 EEAF Nc1ncnc2nc(-c3cccn4c(Br)cnc34)[nH]c12 587007424 LGNKSSURUZQVFZ-UHFFFAOYSA-N 330.149 2.012 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1cnc4c(c1)OCCO4)[C@@H](C2)C3=O 587437329 XYHYCDPMCAVIOW-SJCJKPOMSA-N 325.320 2.350 0 1 EEAF CC1=C[C@@]2(CC(=O)N1C1CC1)NC[C@@H]1CC(=O)N(C)c3cccc2c31 963038556 ZGIAGOFAASJTQM-RBZFPXEDSA-N 337.423 2.234 0 1 EEAF Cn1ncc2c([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)cccc21 962895417 JTMDNRPZDVCQGM-WMLDXEAASA-N 325.343 2.401 0 1 EEAF CCN(CC)CC(=O)N1CCC[C@H](C(=O)c2ccccc2OC)C1 13596645 LJCAPTLGUFKCOY-HNNXBMFYSA-N 332.444 2.458 0 3 EEAF Cc1ccc(Cl)cc1-n1c(=O)cc(N2C[C@H](C)O[C@H](C)C2)[nH]c1=O 18066564 DMFFTJYOPSSREU-TXEJJXNPSA-N 349.818 2.101 0 3 EEAF CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccco2)C1=O 1857651423 CBSBHMXRBOEGFC-KDOFPFPSSA-N 335.363 2.076 0 1 EEAF CCCn1c(=O)c2nc([C@@H]3C[C@H]4C=C[C@H]3C4)[nH]c2n(CCC)c1=O 100643556 LMZOGRHOEMOQIR-RWMBFGLXSA-N 328.416 2.386 0 1 EEAF OCc1cc(N2CCCC2)ccc1-c1nc2c(s1)[C@H](O)CNC2 53296404 ZRKUIHUDCUBDPN-OAHLLOKOSA-N 331.441 2.039 0 1 EEAF Cn1cc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4n3C)C2)cn1 2356302104 MAYGSBQSLNJCMG-RHSMWYFYSA-N 343.406 2.046 0 1 EEAF CCOC(=O)Cn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21 26720390 QFWSQBRNJHAVIP-UHFFFAOYSA-N 348.362 2.299 0 1 EEAF C[C@@H]1OC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN(C)C1=O 27984118 HFJULFDBQNGBRF-HNNXBMFYSA-N 341.455 2.422 0 1 EEAF COc1ccc(O[C@@]2(C3=NCCN3)COc3ccccc3O2)cc1 26005090 NKBOYISAHBCJCL-SFHVURJKSA-N 326.352 2.243 0 1 EEAF C[C@H](O)CCCCC[C@@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@H](O)O1 2356719440 YULTUTUKMKNZHP-VKHBWIJISA-N 340.372 2.060 0 1 EEAF COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C(=O)C=C1CCN3CC2 15204022 GFSAAWPDCQHEAN-RTBURBONSA-N 329.396 2.075 0 1 EEAF biogenic O=C(NCc1ccccc1)[C@@H]1c2ccccc2OCC(=O)N1C1CC1 199207293 ZSHMTBXCQBJSQZ-IBGZPJMESA-N 336.391 2.428 0 3 EEAF COc1c(O)cc2c(c1O)C(=O)[C@H](OC(C)=O)[C@H](c1ccccc1)O2 238782969 IFGSAERKBCGIJK-WMZOPIPTSA-N 344.319 2.355 0 1 EEAF CN1CCN(CCCCC(=O)Nc2cc(-c3ccccc3)[nH]n2)CC1 299862463 NAVDSNYAYFHPSD-UHFFFAOYSA-N 341.459 2.433 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(N)=O)cc1)O2 587388863 HINCUKPCSBVJRD-LJQANCHMSA-N 340.379 2.322 0 1 EEAF COC(=O)c1ccc(-n2c(O)ccc2OC)c(O[C@@H]2CCOC2)c1 587924789 JAINYGKGJZPTFI-GFCCVEGCSA-N 333.340 2.146 0 1 EEAF Cc1nc([C@H]2C[C@@H]2c2nnc(C)s2)cc(-n2nc(C)nc2C)n1 205278594 ZCJVIWWSDNFKPN-RYUDHWBXSA-N 327.417 2.414 0 1 EEAF COc1cc(/C=C/C(=O)Nc2ccc(NC(=N)N)cc2)ccc1O 1857560588 VBOOLNZIWIKEFE-YCRREMRBSA-N 326.356 2.358 0 1 EEAF CCCCN=c1[nH]c(=N)[nH]c2c1CN(CCc1ccccc1)CC2 1857765965 VQZVLRQFQOCYBL-UHFFFAOYSA-N 325.460 2.124 0 1 EEAF CCN(C1CCCCC1)S(=O)(=O)c1ccc(-n2cnnn2)c(C)c1 934070 DDXUSUBKYHEJTG-UHFFFAOYSA-N 349.460 2.314 0 3 EEAF COC(=O)c1ccc(COC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)o1 100582602 WLOJPXBGRQFZAX-VCKYCXPWSA-N 334.368 2.441 0 1 EEAF O=C1Oc2ccccc2[C@H](O)[C@H]1Cc1c(O)c2ccccc2oc1=O 103579759 VTMRYFQHHNZEHS-WBMJQRKESA-N 338.315 2.310 0 1 EEAF biogenic,in-vitro O=P(O)(O)C(F)(F)c1ccc(C(F)(F)P(=O)(O)O)cc1 27561152 FUSBQJCTZXQSQC-UHFFFAOYSA-N 338.086 2.141 0 1 EEAF Fc1ccccc1CN1CCc2nc(N3CCOCC3)ncc2C1 21639930 ABWPWUNRKPJEIO-UHFFFAOYSA-N 328.391 2.011 0 1 EEAF O=C(Nc1nccs1)c1ccc2cc3n(c2c1)CCCNC3=O 29125856 ADDPEEUYANAWBV-UHFFFAOYSA-N 326.381 2.484 0 1 EEAF Cc1c(=O)c(O)c2oc(O)c(O)c3c(=O)c4c(c1c23)O[C@H](C)C4(C)C 2356835461 KSBBPABTWKMREP-ZCFIWIBFSA-N 344.319 2.228 0 1 EEAF CN1CCN(C2CCN(Cc3ccc(O)c4ncccc34)CC2)CC1 36380691 AWIDZQPEPWOPKS-UHFFFAOYSA-N 340.471 2.152 0 3 EEAF C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C(C)CC[C@@H]3OC(C)=O)[C@H](OC(C)=O)[C@@H]12 15056240 DNNWITSSRUKCLW-YEAFQPLXSA-N 348.395 2.468 0 1 EEAF biogenic C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@H]1C[C@H]3C[C@@]12CC[C@]3(O)CO 136975760 NOFOAYPPHIUXJR-YNXAUACVSA-N 338.488 2.086 0 1 EEAF in-vivo Cc1cc(C)n2nc(SCn3cnc4ccccc4c3=O)nc2n1 96910564 UWSYOHFSWFPDMS-UHFFFAOYSA-N 338.396 2.201 0 1 EEAF Cc1cc(Br)c(-c2nc3c(O)nc(N)nc3[nH]2)cc1F 587137822 NEMSMSQUODFBFT-UHFFFAOYSA-N 338.140 2.518 0 1 EEAF Cc1c(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)oc2c1[C@@H](O)CCC2 586903911 OECBLXVDFFUWGF-JTQLQIEISA-N 347.396 2.148 0 1 EEAF Nc1ncnc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc12 587042455 KAZLQALQYWTLIC-VIFPVBQESA-N 346.803 2.244 0 1 EEAF O=S1(=O)N[C@@H](CO)c2cc(-c3c[nH]c4cc(F)ccc34)ccc21 1772585470 MUYZCDJFMYXXLU-HNNXBMFYSA-N 332.356 2.299 0 1 EEAF CC(=O)N1C(=O)C(C)(C)[C@@H]2[C@@H]1CCN2C(=O)OCc1ccccc1 13443201 WXBVNFXCMFPRAB-GJZGRUSLSA-N 330.384 2.181 0 1 EEAF CC(C)c1ccc2c(c1)C(=O)c1ccc(C(N)=O)cc1S2(=O)=O 13606002 QCUWRLUAQBVJPN-UHFFFAOYSA-N 329.377 2.286 0 1 EEAF CCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)S(=O)(=O)O 15257141 YJMGVBJYAHWWPU-CYBMUJFWSA-N 330.402 2.349 0 1 EEAF biogenic,in-vitro CCCC(=O)O[C@H](C)OC(=O)CCC(=O)O[C@H](C)OC(=O)CCC 28126978 FSOOHUREGIBIFY-TXEJJXNPSA-N 346.376 2.232 0 1 EEAF CNC(=O)[C@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)NC(C)C 2356301833 GGQYUNMZVMKXLJ-CABCVRRESA-N 337.851 2.116 0 1 EEAF CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)c1csnn1 4890254 RKXFARUMORPDJC-UHFFFAOYSA-N 338.458 2.157 0 3 EEAF CCOC(=O)Cn1c(=O)cc(-c2ccccc2)c2c(C)nn(C)c21 6917798 HPLAYUVQPUMDAN-UHFFFAOYSA-N 325.368 2.274 0 1 EEAF O=C(c1ccncc1)N1N=C(c2ccco2)C[C@@]1(O)C(F)(F)F 102175214 FWESDAYQDRKVQO-CYBMUJFWSA-N 325.246 2.176 0 1 EEAF CCOC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3C)CC1=O 101006967 XUOQREZRAUHJRW-DZIWXPPMSA-N 343.423 2.049 0 1 EEAF NC(=O)OC1=C(OC(N)=O)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 26379402 YJPVVYVJABRZML-ZIAGYGMSSA-N 339.351 2.474 0 1 EEAF O=C(N[C@H]1CN(Cc2ccccc2)CCC[C@@H]1O)c1ccc(O)cc1 2356823639 GNAMKGMESNLWOG-OALUTQOASA-N 340.423 2.148 0 1 EEAF C[C@]12CCCC(CO)(CO)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@](O)(CO)C3 504348368 OSDMCLGYBVZLJQ-GFJCLWMYSA-N 338.488 2.087 0 1 EEAF biogenic C[C@@H]1C(C(N)=O)=C2C(OCC(=O)O)=CC=CN2/C1=C\c1ccccc1 40701129 CBYRULZDLPFYPK-GVIGZQTCSA-N 338.363 2.231 0 1 EEAF CC(=O)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C 222391279 RAALJCORRJVBNY-UHFFFAOYSA-N 335.367 2.178 0 1 EEAF CCOC(=O)[C@H]1C(=O)[C@H](C(C)=O)C(=O)C[C@@H]1C[C@@H](C)SCC 142523572 RTYSMJMWAJSKON-QEGRKFQGSA-N 328.430 2.061 0 1 EEAF Cc1ccc(N2C(=O)N[C@H]3CCN(C(=O)C4CCCC4)[C@@H]3C2=O)cc1 25410388 UIBVGPOKMCYZSF-HOTGVXAUSA-N 341.411 2.211 0 1 EEAF biogenic Cc1cccc(CN2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)n1 299842286 FMEWIJSZIMOEAQ-IPMKNSEASA-N 325.412 2.201 0 1 EEAF CC(C)(C)C(=O)Nc1cccc(-c2nc3c(O)nc(N)nc3[nH]2)c1 587242657 YDLPZJLFLMELDU-UHFFFAOYSA-N 326.360 2.292 0 1 EEAF Cc1c(Br)cnc2[nH]c(-c3nn(C)c(O)c3F)nc12 587156282 SKLAZFYVNWGMRE-UHFFFAOYSA-N 326.129 2.274 0 1 EEAF Cc1ccc(S(=O)(=O)N2C[C@H]([C@H](N)N=O)Oc3ccccc32)cc1 957916657 DMMPHZPSGDLCFS-HZPDHXFCSA-N 347.396 2.003 0 1 EEAF O=C(O)c1cccc2c1CC[C@@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962896215 LFFQMJOEJOHLOG-LPHOPBHVSA-N 341.338 2.313 0 1 EEAF CN1CCc2c(Br)cccc2[C@]1(C(=O)O)C(C)(C)CO 963271953 YLYHSJPMWNYVEI-HNNXBMFYSA-N 342.233 2.235 0 1 EEAF CCOC(=O)[C@@H](C(C)C)[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963529231 WFWZYPBHBAHOBC-ZBQZNYHESA-N 349.427 2.350 0 1 EEAF C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F 13557250 VRUHOUHYPBCHJF-DVOMOZLQSA-N 344.377 2.421 0 1 EEAF CC[C@@]12CCCN3C(=O)[C@H](O)[C@H]4c5ccccc5N(C(=O)CC1)[C@]432 205784195 IPLKUIIZTYHLIU-RWQQGDIJSA-N 326.396 2.000 0 1 EEAF Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)NC[C@H]2CCCO2)cc1 1379560 XCOFVRJXVFNOJM-CVEARBPZSA-N 331.416 2.287 0 3 EEAF Cn1c(CO[C@H]2CN(Cc3ncc[nH]3)C[C@@H]2F)nc2ccccc21 2356302353 SMBZESRYYBNCOX-WFASDCNBSA-N 329.379 2.036 0 1 EEAF CCOC(=O)[C@]1(Cc2c[nH]c3ccccc23)[C@@H](O)CCCN1C(C)=O 1858576 PBCTUFWZRPYFQI-HKUYNNGSSA-N 344.411 2.016 0 1 EEAF O=C(O)CNC(=O)/C=C/CCC=C(Br)Br 53293613 QQIILDCNQXQJDQ-HWKANZROSA-N 340.999 2.155 0 1 EEAF C[C@@H]1CC=C(Nc2cccc(C(=O)O)c2)c2ncc(C(=O)O)c(=O)n21 102190614 QACYXFPYIFQHHS-SECBINFHSA-N 341.323 2.057 0 1 EEAF CO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35273299 KEBVBTRIOHKRMU-GXFFZTMASA-N 338.795 2.311 0 1 EEAF CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]1Cc1ccccc1 13429869 YZUOZVNKLNYNTM-RBUKOAKNSA-N 347.418 2.279 0 1 EEAF biogenic CC(=O)O[C@@H]1[C@H](OCc2ccccc2)O[C@H](C)[C@@]12COC(C)(C)O2 13435762 HRNWKZDPMOLOIP-YMCQQKJTSA-N 336.384 2.401 0 1 EEAF biogenic O=S(=O)(c1ccc(F)cc1)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 74377006 UFTHNJIUBHFQNR-CVEARBPZSA-N 346.383 2.249 0 3 EEAF CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)CC1 98083062 QQKQXZMTFQCPAS-UHFFFAOYSA-N 347.422 2.322 0 1 EEAF O=C(O)C[C@@H](O)Cc1nc2cc(Br)cc(Cl)c2[nH]1 586893128 WIMCJCJUVJRTDL-LURJTMIESA-N 333.569 2.357 0 1 EEAF CCOC(=O)N1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587435359 FSQSFJLPBVRXBS-CYBMUJFWSA-N 331.368 2.434 0 1 EEAF CC(=O)NC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572426 PIBUPJUMSZGHAY-MAUKXSAKSA-N 327.336 2.249 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)[C@H]1CN(C)CC[C@@]1(C)O 963611204 QJNSOQFPPIHMKS-NLKHACGTSA-N 348.487 2.156 0 1 EEAF COc1ccccc1-c1ccc(Oc2cc(=O)n(O)c(=O)n2C)cc1 1857564942 FDQRLNABYLFYGS-UHFFFAOYSA-N 340.335 2.252 0 1 EEAF COc1ccc2c3c1O[C@H]1C=C([C@@H](C)O)C[C@H]4[C@@H](C2)N(C)CC[C@]314 27719814 QWIOCLNAHOMHPC-PQPONPFTSA-N 327.424 2.281 0 1 EEAF COc1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1 61931021 CMLRXYAQDKJATD-UHFFFAOYSA-N 339.351 2.454 0 3 EEAF CN1CCN(CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)CC1 31848135 UABOEXMMYDGJCC-UHFFFAOYSA-N 349.438 2.416 0 1 EEAF COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)/C=C\[C@H](C)[C@@H](C)OC2=O 49110342 NAWYJXUUEIIVTF-ZPQHEGKDSA-N 348.395 2.277 0 1 EEAF COc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(N)=O 142792929 ABUHZFPSYFNGPG-UHFFFAOYSA-N 343.774 2.482 0 1 EEAF O=C1O/C(=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)c2ccccc21 586906278 KQXLJSGNJNLFJS-NVNXTCNLSA-N 330.307 2.207 0 1 EEAF CS(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)cc1 587653450 AHIGFGFBCVWMJS-UHFFFAOYSA-N 334.784 2.443 0 1 EEAF CC1=C(c2ccc3nc(C[C@H]4CCC(=O)[C@@H]4C)[nH]c3c2)NNC(=O)C1 587961139 DIRZCPIHPIGZSF-VXGBXAGGSA-N 338.411 2.476 0 1 EEAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(F)cc3[nH]2)cc1 586947119 SUCIRHNGITVZBD-UHFFFAOYSA-N 333.388 2.395 0 1 EEAF COc1ccc2c3c1O[C@@H]1C=C([C@@H](C)O)C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169364841 QWIOCLNAHOMHPC-MELBLMFKSA-N 327.424 2.281 0 1 EEAF Cn1cc2cc(COc3ccnn3-c3cc(C(=O)O)ccn3)ccc2n1 146658044 AVMUKTXGEVRNOT-UHFFFAOYSA-N 349.350 2.431 0 1 EEAF CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SC)o2)cc1 416190 RMHDWWSHIMTXGQ-UHFFFAOYSA-N 327.431 2.489 0 3 EEAF C[C@]1(CO)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@]13CC[C@H](C[C@H]12)[C@](O)(CO)C3 2356382944 SYLBWUCYLWBMER-MYMJKGKXSA-N 336.472 2.294 0 1 EEAF CO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(OC)ccc1OC 104017184 KTSJSNDARNZUFO-RHIYTYFCSA-N 330.344 2.407 0 1 EEAF CC(C)n1nc(-c2ccc(NS(C)(=O)=O)cc2)c2c(N)ncnc21 64746428 HMKCVXALDWCZFL-UHFFFAOYSA-N 346.416 2.028 0 1 EEAF O=c1c2[nH]cnc2n(-c2ccccc2F)c(=O)n1Cc1ccccc1 26738648 NCXMJHMMJDZCEU-UHFFFAOYSA-N 336.326 2.063 0 1 EEAF CCn1c(=O)n(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)c2ccccc21 27085311 UEYRRMVOMQCUML-GOOCMWNKSA-N 342.443 2.396 0 1 EEAF CC[C@H]1C(=O)N2C=CS[C@@H]2N(Cc2cc(OC)cc(OC)c2)C1=O 28769676 KVWSCUSPDXHTIC-YOEHRIQHSA-N 348.424 2.402 0 1 EEAF C[C@H](CCc1ccccc1F)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27737389 ZTRARVFFWOIXTC-XIKOKIGWSA-N 346.402 2.275 0 1 EEAF COc1cc(C(=O)NCCN2CCC[C@@H](O)C2)c2cccc(C)c2c1 28343433 JRKHJIIIIQZFPL-OAHLLOKOSA-N 342.439 2.343 0 1 EEAF CSCC(=O)N1CC[C@H](SCc2ccc(F)cc2)[C@H]1C(=O)O 3839586 OPKXHVQHKYMMTN-JSGCOSHPSA-N 343.445 2.476 0 1 EEAF biogenic CCCCCC(=O)N1CC[C@H](CC(=O)N(C)CCO)[C@H](CC)C1 25428042 JXYNTJAXIYYUKQ-HZPDHXFCSA-N 326.481 2.282 0 1 EEAF biogenic COC(=O)c1ccc(C[C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962892722 DRYVKJDSPRKTAD-CVEARBPZSA-N 343.354 2.495 0 1 EEAF COc1ccc(S(=O)(=O)Nc2c[nH]cc(Cl)c2=O)cc1Cl 222864342 JTRPZHQQQYZWNQ-UHFFFAOYSA-N 349.195 2.491 0 1 EEAF CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O 5857749 YJOWXMGENDGFDH-IAGOWNOFSA-N 346.335 2.500 0 1 EEAF biogenic COc1cc(C2=C(c3ccccc3)C(=O)NC2=O)cc(OC)c1OC 13681626 XSDNMFXQWUKTIX-UHFFFAOYSA-N 339.347 2.280 0 1 EEAF O=C(CSCc1cc(O)n2ncnc2n1)Nc1ccccc1Cl 15785774 VUPPNIVXIOZCNP-UHFFFAOYSA-N 349.803 2.355 0 1 EEAF C[C@]1(O)CO[C@@H]2C=C(COC(=O)C=Cc3ccc(O)cc3)CC[C@@H]21 2356465822 IUVKFRYCDSXZIC-SCTDSRPQSA-N 330.380 2.435 0 1 EEAF Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1C 3904552 CMMOFOKVLOKKDO-RMHZUWNSSA-N 326.396 2.273 0 1 EEAF Cc1ccc(CNC(=O)CCCN2C(=O)CCn3nc(C)cc32)cc1 7004165 XONFDDURNXXFQM-UHFFFAOYSA-N 340.427 2.333 0 1 EEAF CCOc1cc(C)c(N2CCN(c3noc(CC)n3)[C@@H](C)C2)cn1 103252704 OPRXXWUPPCSXBS-ZDUSSCGKSA-N 331.420 2.449 0 1 EEAF O=C(O)c1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n2CCO 103230336 GZNFVTVGJBLLMU-UHFFFAOYSA-N 326.308 2.123 0 1 EEAF CC[C@]12CCCN(CC[C@@]3(O)C(=O)Nc4ccccc43)[C@H]1OCC2 2356690640 FQCHUCFOOQKMIL-OTWHNJEPSA-N 330.428 2.455 0 1 EEAF COc1cccc2c1[C@H](O)[C@]1(O)CCC3=C(C(=O)C[C@H](C)C3)[C@H]1[C@H]2O 14850578 GOUAMPBBOSYLQB-FUWWXODQSA-N 344.407 2.212 0 1 EEAF biogenic Cc1cnc(N2CCCN(C)CC2)nc1NCCNc1ccccc1 82202371 JDPLVNQJYZVQDB-UHFFFAOYSA-N 340.475 2.451 0 1 EEAF O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(Cc3cccs3)nc12 145128595 UNUNCYXWARWXMF-NSHDSACASA-N 341.440 2.092 0 1 EEAF CC(C)COC(=O)Cc1cc(O)cc2c1C(=O)C[C@@H](C[C@H](C)O)O2 299852917 ZICDDWYXFDANHW-SMDDNHRTSA-N 336.384 2.239 0 1 EEAF COc1ccc(-c2cccc3nc(NS(=O)(=O)C4CC4)nn23)cc1 299839140 RTQNXNBUCKFMMB-UHFFFAOYSA-N 344.396 2.309 0 1 EEAF CCOC(=O)Cn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587392668 VDWFLJBWASEVCE-OAHLLOKOSA-N 329.356 2.043 0 1 EEAF C[C@@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)N(C)C 587189231 AEDHYHOFCDHYFC-QMMMGPOBSA-N 335.351 2.349 0 1 EEAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cnncc3[nH]2)c1 586929838 BHBQGJDZEHJPFS-UHFFFAOYSA-N 331.401 2.050 0 1 EEAF N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1CCCCCC1 84016707 YAIRZEXVEPWEAS-KPKJPENVSA-N 331.328 2.316 0 1 EEAF CCOC(=O)[C@H](C)[C@@]1(C(F)(F)F)NCCc2c(C(=O)O)cccc21 963120260 FUDJNXZZKDQDEY-BJOHPYRUSA-N 345.317 2.487 0 1 EEAF CCOC(=O)c1noc(-c2cccc(NC(=O)c3ccc[nH]3)c2)n1 1772574871 CBUZCLRJHLDDCT-UHFFFAOYSA-N 326.312 2.494 0 1 EEAF CC[C@H](c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)n1ccnn1 13863008 DOGKXLVAJXAQLO-MRVPVSSYSA-N 340.170 2.114 0 1 EEAF Nc1nc(-c2ccc(P(=O)(O)O)o2)c(CC2CCCCC2)o1 169321408 KADHPKQXFJCPTN-UHFFFAOYSA-N 326.289 2.443 0 1 EEAF CCOC(=O)C1=C(C)OC(=N)[C@@H](C(=O)OCC)[C@@H]1c1cccnc1 169686738 GLGBBLMHGAIPNM-KGLIPLIRSA-N 332.356 2.189 0 1 EEAF COc1cc2c(c(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)c1)O[C@@H](C)C2 100870552 HEGCNUMCFQIISG-CQDKDKBSSA-N 330.428 2.374 0 1 EEAF CCOC(=O)C[C@@]12c3ccccc3C[C@](O)(c3ccccc31)N2O 100649332 OPICCRRPMCDQMW-MOPGFXCFSA-N 325.364 2.289 0 1 EEAF CNC[C@@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 29564602 OQFALAVCRBVDSL-CQSZACIVSA-N 325.364 2.419 0 1 EEAF CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3c(c2)CCO3)C1 61902718 FOBATFCMCCQUAC-LJQANCHMSA-N 330.428 2.390 0 3 EEAF CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1ccncc1)C(C)C 66111568 USEGJCJYCDIXNO-CVEARBPZSA-N 349.431 2.059 0 1 EEAF CC=C1CN2CC[C@]34c5ccccc5N(C(C)=O)[C@@H]3[C@@H](CO)[C@H]1C[C@@H]24 2356516750 IJTKEUDLEABZCZ-BQDHWQRKSA-N 338.451 2.322 0 1 EEAF COc1cc([C@@H]2[C@@H](O)CC=C3CCN(C)[C@H]32)c(C=O)c(OC)c1OC 238744631 KQGUTTVDQZKMQP-USXIJHARSA-N 347.411 2.004 0 1 EEAF NC(=O)c1ccc(N2CCN(c3ccccc3)CC2)c2cncnc12 144614537 VDZHBUUCZNRKBN-UHFFFAOYSA-N 333.395 2.055 0 1 EEAF C/C=C1/[C@@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4C[C@@H]([C@@H]2CO)N3[C@@H]1O 238784809 KKBTYLUGDNWYDI-YRWLWLMASA-N 340.423 2.351 0 1 EEAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(-n3cnnn3)cc2[nH]1 587059415 RWMCSCQSMGLWOT-ZDUSSCGKSA-N 339.790 2.435 0 1 EEAF C=C(NC(C)=O)c1nc2cccc(I)c2[nH]1 587203234 JVDRCNHAKVDSHF-UHFFFAOYSA-N 327.125 2.274 0 1 EEAF CC(C)(C)O[C@@H]1C[C@@]2(N[C@H]3Cc4c2ccnc4C3=O)[C@H]1n1cccn1 963288562 DLIIPADDWGKVSI-CSHUHZATSA-N 338.411 2.013 0 1 EEAF O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N=c1cc[nH]cc1O 1857547171 OKGTXONRYBIZIL-UHFFFAOYSA-N 333.196 2.458 0 1 EEAF O=C(O)C1=CS[C@@H]2/C(=C\c3cn4c5c(sc4n3)CCC5)C(=O)N12 13580839 XFARUGBBAMTOCU-IBSXUBTNSA-N 345.405 2.109 0 1 EEAF N#CN1CC[C@@H](NS(=O)(=O)Nc2ccc(-c3ccccc3)cc2)C1 1857551117 DBXCMHMITPNPAR-QGZVFWFLSA-N 342.424 2.155 0 1 EEAF COc1cc2c(cc1OC)[C@@H](O)[C@@H]1NCCc3cc4c(c-2c31)OCO4 15148310 KYZYPMCCLGNTAG-QZTJIDSGSA-N 341.363 2.333 0 1 EEAF CCn1c(=O)cc(OCC(=O)NCc2cccnc2)c2ccccc21 4034623 WJHWZKIBZMDYJW-UHFFFAOYSA-N 337.379 2.112 0 3 EEAF Oc1ccc2c(c1)CCN([C@H]1CO[C@H](c3ccccc3)OC1)C[C@@H]2O 101376885 DKUNGJZSUMCVMS-FFZOFVMBSA-N 341.407 2.398 0 1 EEAF O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100978289 VMEDHRYDUGZJAU-QKCSRTOESA-N 331.807 2.298 0 1 EEAF Cc1[nH]n(-c2ccccc2)c2nc(=O)c(CNC[C@H]3CCCO3)cc1-2 103950369 CZIGCRDGPBGIIC-MRXNPFEDSA-N 338.411 2.242 0 3 EEAF C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@H](CC[C@@H]3O)[C@@]12C[C@H](c1ccco1)OC2=O 2356552256 KKPKVOMMNGLUGV-GRRFVSCYSA-N 344.363 2.287 0 1 EEAF COc1ccc(CN2C[C@H]3C[C@H]2C(=O)Nc2ccccc2O3)cn1 2356617659 MDISEJBIMYXJIK-HIFRSBDPSA-N 325.368 2.064 0 1 EEAF CC(=O)O[C@@H]1C[C@H]2C=CC[C@@H](O)[C@H](C)C(=O)Nc3cc(O)cc1c3O2 2356808038 YJSOUILKFKROBD-XISDLREQSA-N 347.367 2.043 0 1 EEAF CSCC[C@H]1NC(=O)[C@@H]([C@H](C)c2cn(C)c3ccccc23)NC1=O 34162082 NSTCHJFUGUQWFF-DJSGYFEHSA-N 345.468 2.018 0 1 EEAF Nc1nccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149075 LQYRTMATRPLAJK-JTQLQIEISA-N 343.337 2.334 0 1 EEAF CCOC(=O)[C@H]1CN(CC)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587396431 SENAKXCJCHMSPU-KUHUBIRLSA-N 346.427 2.186 0 1 EEAF Oc1nc(S)nc2[nH]c(-c3ccc(F)c(Br)n3)nc12 587155812 SPZLDXNTRWEODF-UHFFFAOYSA-N 342.153 2.311 0 1 EEAF COc1ccc(Cl)c2c1NC(=O)[C@@]21NCCc2ccc(O)cc21 963341598 MYNKPQPCIVBKNN-KRWDZBQOSA-N 330.771 2.396 0 1 EEAF CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(C)=O 5858316 YJOWXMGENDGFDH-IRXDYDNUSA-N 346.335 2.500 0 1 EEAF biogenic,in-vitro CC(=O)c1ccc(OCc2cc(C(=O)N(C)[C@@H]3CCOC3)no2)cc1 12750375 PHIHWCIZXCRYSD-CQSZACIVSA-N 344.367 2.317 0 3 EEAF O=C1NCCn2c(-c3ccc(CN4CCCC4)cc3)nc3cncc1c32 1857596969 WRHFQRFZDKQGDY-UHFFFAOYSA-N 347.422 2.438 0 1 EEAF CNC(=O)c1cc(Oc2cccc(-c3noc(COC)n3)c2)ccn1 1857639215 DTGIXLIIXXQDOQ-UHFFFAOYSA-N 340.339 2.430 0 1 EEAF COc1ccc(C(=O)Nc2ccc(NC(=O)c3cnccn3)cn2)cc1 1358656 QASYMIWZQSATSI-UHFFFAOYSA-N 349.350 2.385 0 3 EEAF COC(=O)C[S@@](=O)C[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 101019332 SVDJATZZTSSCDA-LIEFOEBCSA-N 343.876 2.297 0 1 EEAF C[C@@]12CCC[C@]3(OC1=O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@]1(CO1)C2 100191784 PXYCXLNQKAEBRB-UJOVHDGXSA-N 332.396 2.378 0 1 EEAF in-vitro CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1[nH]cnc1Cl 103220627 QESBISLYUXFMPY-NSHDSACASA-N 339.779 2.034 0 1 EEAF Cc1nc2ccc(CSC(=S)N3CCOCC3)cc2c(=O)[nH]1 28334541 ZVWFJCJDMOHSOJ-UHFFFAOYSA-N 335.454 2.082 0 1 EEAF CC(=O)Nc1cc(C(N)=O)c2ncnc(NCc3ccccc3)c2c1 114347197 PBZOQJHQALJMOK-UHFFFAOYSA-N 335.367 2.299 0 1 EEAF Cc1ccc2c(c1)S(=O)(=O)N(C)C(C(=O)Nc1ccccc1)=C2O 28094559 OXPMICXMRBWJPE-UHFFFAOYSA-N 344.392 2.494 0 1 EEAF COc1ccc2c(c1)N[C@@H]1[C@H]3[C@@H]4C[C@H]5N(CC[C@]215)CC4=CO[C@H]3OC 2356505878 SWKLBBXUTMDNSJ-GACPSBCHSA-N 340.423 2.338 0 1 EEAF CC=C(CO)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@@H]1CO 2356563722 AXTRBQOMEOBKOZ-JZXOWHBKSA-N 340.423 2.161 0 1 EEAF CC(C)(C)OC(=O)COc1cccc(C(=O)CCN2CCOCC2)c1 36376379 IJYHNMMHTXRQIS-UHFFFAOYSA-N 349.427 2.312 0 1 EEAF Cc1cc(C(=O)NCC(F)(F)F)c2c([C@H]3CCCN3)noc2n1 71995468 WZTRSRAACXBUMF-SECBINFHSA-N 328.294 2.248 0 1 EEAF Cc1ccccc1Cn1cnc(=O)c2sc(N3CCOCC3)nc21 84733405 WNDQVPXIYCYJJW-UHFFFAOYSA-N 342.424 2.046 0 1 EEAF COC(=O)[C@@H]1C[C@]23C=CCN4C[C@@H]([C@@H]2C)[C@]2(c5ccccc5N[C@H]12)[C@@H]43 195427343 AXEOWLVNPZQDNZ-UBEJMUKPSA-N 336.435 2.418 0 1 EEAF CCN1CCN(c2ncc(C)c(NCCNc3ccccc3)n2)CC1 82202392 WUMMOVHXQJHFIE-UHFFFAOYSA-N 340.475 2.451 0 1 EEAF Cc1ccc2c(c1)[C@H](CS(=O)(=O)NCCc1ccccc1)NC2 96020234 OSESBWBXNAPMQN-SFHVURJKSA-N 330.453 2.301 0 3 EEAF CCCn1c(=O)n(CC)c2ccc(C(=O)c3c(C)nn(C)c3O)cc21 299855608 AZBRQNOBPXIFQR-UHFFFAOYSA-N 342.399 2.211 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O 653634447 WQJHFNBULHHCAT-UHFFFAOYSA-N 340.379 2.393 0 1 EEAF Cn1cc(Nc2ncc(Cl)c(NC3C[C@@H]4CNC[C@H]4C3)n2)cn1 1772640108 VAOABFRDWMMAQU-NXEZZACHSA-N 333.827 2.017 0 1 EEAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H](N)C3)cc21 5834243 NGPPAXOOFVLFNT-SNVBAGLBSA-N 347.390 2.131 0 1 EEAF CN(C)CCCCn1cnc2c(=O)nc(Nc3ccccc3)[nH]c21 13644867 HTDSDCIJZUTHGR-UHFFFAOYSA-N 326.404 2.205 0 1 EEAF CO[C@@]12c3c4cc(=O)cc(C)c3C[C@@H]1[C@H]1C[C@H](C)[C@@]2(CC4)C(=O)O1 1857568835 PRNZPPREKVOZOE-GEILXPOXSA-N 326.392 2.267 0 1 EEAF O=C(C1CCOCC1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356321056 JXTZNUHIPQKDEV-OAHLLOKOSA-N 348.374 2.310 0 1 EEAF CONC(=O)Cc1cccc(OCc2nc3ccccc3n2C)c1 26487833 NAWHVTNCHAEXCS-UHFFFAOYSA-N 325.368 2.372 0 1 EEAF CCN(CC)CCN1C(=O)C[C@@]2(CCCc3ccc(O)cc32)C1=O 27564651 JZOLXFROHRHOEF-LJQANCHMSA-N 330.428 2.067 0 1 EEAF COc1ccc(OC)c(Cc2nc3ccccc3c3nc(N)nn23)c1 116239590 SCFYCDIYCRZUGM-UHFFFAOYSA-N 335.367 2.468 0 1 EEAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(OC)cc2OC)C1 61903362 IRGUXLPSFBMBFG-IBGZPJMESA-N 348.443 2.472 0 3 EEAF CCOC(=O)c1noc2nc(C)n(Cc3ccccc3F)c(=O)c12 21648671 ZAUQJWKEDTUGIF-UHFFFAOYSA-N 331.303 2.057 0 1 EEAF COc1cc(O)cc2c1C(=O)O[C@@H](C)C/C=C/[C@@H](O)[C@@H](O)CC/C=C/2 84618287 DHJLJFUHCPWDSW-WKJOWDJDSA-N 348.395 2.421 0 1 EEAF C[C@]1([C@H](O)CO)CC[C@@H]2C(=CC[C@@H]3[C@@](C)(CO)C[C@@H](O)C[C@@]23C)C1 238765501 FPVDNQSURCZWLC-PDKYLHCFSA-N 338.488 2.252 0 1 EEAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnn(C)c2)n1 142149670 ATCXQKORKOSROC-WCQYABFASA-N 330.392 2.364 0 1 EEAF CNc1nc(Nc2cnn(CCOC)c2C)ncc1C(F)(F)F 95585061 NUWDQLQAMMOSMC-UHFFFAOYSA-N 330.314 2.432 0 1 EEAF CCC(CC)C(=O)N1CC[C@H]2NC(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 25410399 VZUFVJUROJTSIT-HZPDHXFCSA-N 343.427 2.457 0 1 EEAF biogenic CO[C@H]1CC(=O)N[C@@H]2CC[C@H]3[C@@H]4CC[C@H](C(N)=O)[C@@]4(C)CC[C@@H]3[C@@]12C 299819489 AXHBIEPEDODFJJ-YEDDQXNNSA-N 348.487 2.234 0 1 EEAF Nc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cn1 587147826 BSPHTAJDCUJDOR-SNVBAGLBSA-N 343.337 2.334 0 1 EEAF CC[C@H]1OCCC[C@@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586907428 AMQSRKRQAYMSON-WCQYABFASA-N 337.445 2.486 0 1 EEAF COc1c(F)cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1F 587133851 DINWJOCEXDYIHF-UHFFFAOYSA-N 339.323 2.164 0 1 EEAF C=CN1CC[C@H]([C@@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)C1=O 963638782 UXQWLNHYLVOYKU-PTAUBWNISA-N 330.428 2.445 0 1 EEAF Cn1c([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc2cccnc21 962905421 DVLHNYOPDNGCIB-BBRMVZONSA-N 325.343 2.401 0 1 EEAF c1cncc(CN2CCC[C@@H](c3nnn4cnc5[nH]ccc5c34)C2)c1 1772607122 OEOXCKAQZITEAK-CQSZACIVSA-N 333.399 2.380 0 1 EEAF COc1cc2c(cc1O)C[C@@H]1c3c(cc4c(c3-2)OCO4)[C@@H](O)CN1C 2356331382 XJZFSXZXIKJSHY-OCCSQVGLSA-N 341.363 2.373 0 1 EEAF CCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCOC)c2n1 4239189 XCLYTSNODYFHNG-UHFFFAOYSA-N 343.362 2.071 0 1 EEAF CCCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccnc1 103253010 FQXLGXQFXHRMFL-HNNXBMFYSA-N 326.352 2.435 0 1 EEAF CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H]1C(=O)c1nc2ccccc2s1 28395352 WXLHATMSVASNCW-SCDSUCTJSA-N 331.441 2.453 0 1 EEAF C[C@@H]1CC[C@H](C(=O)Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21 29316491 RPUQTYUJSOISJL-PWSUYJOCSA-N 327.340 2.019 0 1 EEAF CCN(CC)[C@@H](C)CN1C(=O)C[C@@]2(CCCc3ccc(O)cc32)C1=O 27563959 BRHMGFURGFEIBN-VBKZILBWSA-N 344.455 2.456 0 1 EEAF COC(=O)[C@H]1[C@@H](c2ccco2)N(Cc2ccccc2)O[C@H]1C(=O)OC 504352224 UCQXBVHHWBPBGT-ARFHVFGLSA-N 345.351 2.099 0 1 EEAF biogenic O=C1C[C@@H]2c3c(cccc3CN1Cc1ccc(F)cc1)C[C@@H](O)[C@H]2O 36383108 KUWLRRBOKNRDQC-HLIPFELVSA-N 341.382 2.120 0 3 EEAF Cc1cnc(N2CCCN(C)CC2)nc1NCCOc1ccccc1 82202378 KTWDSLPQEQSQSU-UHFFFAOYSA-N 341.459 2.418 0 1 EEAF Cn1cc(CN2C[C@H]3CCC[C@@H](CNc4nccn4C)[C@H]3C2)cn1 96081925 KCONTSZGSXODSV-GVDBMIGSSA-N 328.464 2.114 0 1 EEAF CC(=C/CO)/C=C/[C@@H]1[C@](C)(O)[C@H](O)[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 257532775 RMAJUEUHZWCNQM-WCOUASGTSA-N 338.488 2.416 0 1 EEAF endogenous,in-man O=C1NN(c2ncnc3sc4c(c23)CCC4)C(=O)[C@H]2CCCC[C@H]12 618012511 NMMBQLVIFKDWPW-UWVGGRQHSA-N 342.424 2.364 0 1 EEAF CCCc1c(O)ccc2c1OC1(CC2=O)CN(C(=O)C(F)(F)F)C1 587462713 RMWYEZMHBNFEDS-UHFFFAOYSA-N 343.301 2.453 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(COCCC1(OC)OC)CC2=O 587484770 IBOJWIZOXYSVCP-KRWDZBQOSA-N 336.384 2.458 0 1 EEAF COc1cc(C(=O)N[C@@H]2CCN(C#N)C2)ccc1-c1ccnc(C)c1 1857565032 MZJRTLUPQNJAJJ-MRXNPFEDSA-N 336.395 2.351 0 1 EEAF COc1ccccc1CNC(=O)C1=NN(C)[C@H]2[C@@H]1C[C@@H]1[C@H]2C1(C)C 103234993 BFQCYACBPDLSOS-SMKXDYDZSA-N 327.428 2.274 0 1 EEAF CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CNCC(OC)OC 29128195 KGCAQBRBCVWBSF-APWZRJJASA-N 334.460 2.021 0 1 EEAF CCN1CCCCCC[C@@H](NC(=O)c2cc3[nH]nnc3cc2OC)C1 29571173 IGNSJVCHQGVIQR-CYBMUJFWSA-N 345.447 2.351 0 1 EEAF O=C1Oc2ccccc2[C@@H](O)[C@@H]1Cc1c(O)oc2ccccc2c1=O 26501584 OCFKRQNGSJRUCD-BLLLJJGKSA-N 338.315 2.310 0 1 EEAF Cc1cc(-n2ncc(=O)[nH]c2=O)ccc1C(=O)c1ccccc1Cl 25963776 OWRSAHYFSSNENM-UHFFFAOYSA-N 341.754 2.114 0 1 EEAF CCCc1nc(Br)c2c(Br)nnc(O)n12 29413306 XMCZDCRVVCKGKB-UHFFFAOYSA-N 335.987 2.307 0 1 EEAF CC(=O)c1cc2oc([C@](O)(CO)COC(=O)C=C(C)C)cc2cc1O 2356721266 ZOKBBVDKDDRVQX-SFHVURJKSA-N 348.351 2.030 0 1 EEAF O=C(C=Cc1ccc(O)cc1)O[C@@H](Cc1ccc(O)cc1)C(=O)O 2356839546 LVPGCTXCBGXZHO-INIZCTEOSA-N 328.320 2.350 0 1 EEAF CN1C(=N)N[C@@](c2ccncc2)(c2cccc(-c3cccnc3)c2)C1=O 34804868 AIKOTXHNUIYVMD-FQEVSTJZSA-N 343.390 2.384 0 1 EEAF Cc1cccc(Oc2nc(N3CCOCC3)nc3c2cnn3C)c1 89469684 RCXYMIYIJCKJHA-UHFFFAOYSA-N 325.372 2.301 0 1 EEAF CCN(CC)C(=O)C1=Cc2cc(Br)ccc2S1(=O)=O 473155186 PXGZOPUFWGYARP-UHFFFAOYSA-N 344.230 2.446 0 1 EEAF Cc1cc(=O)oc2cc(NC(=O)CCCCCNC(=N)N)ccc12 1772571661 QHNKNQYOIPOSOQ-UHFFFAOYSA-N 330.388 2.083 0 1 EEAF CCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 1911580599 SDSSXZAEILQIOG-UHFFFAOYSA-N 347.390 2.049 0 1 EEAF COc1cccc2c1[C@H](O)[C@]1(O)[C@H]3c4c(O)cc(C)cc4C[C@H]1O[C@@H]23 2356323560 CXWRZBHQTINGNV-GIOXJEDJSA-N 340.375 2.267 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NC1[C@@H]2CC3CCN(C2)C[C@H]1C3 101343907 LHRDFDIUFJAUDZ-SDGICXGKSA-N 349.862 2.391 0 1 EEAF COC(=O)c1c(C)cc(O)cc1Oc1cc(O)cc(C)c1C(N)=O 2356797241 NRROXAZVOHCNCT-UHFFFAOYSA-N 331.324 2.392 0 1 EEAF Cc1cnc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)s1 34021159 QAYSCRQTQREBQP-UHFFFAOYSA-N 341.375 2.423 0 1 EEAF CO[C@@H]1/C=C(\C)C[C@H](OC(C)=O)[C@]2(O)[C@H](CC2(C)C)[C@H](CO)C1 38928128 FBYOODMLZCFCSM-MHHUQZRKSA-N 326.433 2.059 0 1 EEAF C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H]([C@@H](O)CC[C@H]1C)[C@H]2OC(=O)C(C)C 14407316 VSLKGPYHLGIYBG-NPHMQWCISA-N 336.428 2.471 0 1 EEAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccnn1C)O2 587392111 QSTZDUCUSUOCML-JHTBKMLMSA-N 326.400 2.247 0 1 EEAF CN1CC[C@@]2(CC1=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582850 OGZGAYLZGNGDNI-APWZRJJASA-N 339.347 2.345 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COCC2=O)N1 587834262 KPBJAHFKQZKFII-RMLUDKJBSA-N 326.165 2.431 0 1 EEAF CC(C)OC(=O)C1(c2nc3ccc(C(=N)N)cc3[nH]2)CC(F)(F)C1 587131312 DMWAUTWTMXQGNC-UHFFFAOYSA-N 336.342 2.465 0 1 EEAF O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)ccc1O 587944475 CODPHOFCIXNCFN-UHFFFAOYSA-N 346.343 2.359 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccnc(OC)c2[nH]1 587229801 CCPWYTALMUJTHQ-VXGBXAGGSA-N 332.404 2.003 0 1 EEAF CCOC(=O)CC[C@@]1(C2CC2)N[C@H](C(=O)O)Cc2cccc(F)c21 962909427 MHGCUTWIESYMPA-KSSFIOAISA-N 335.375 2.373 0 1 EEAF CCc1cc(O)n2nc(NCc3cccc(OC)c3OC)nc2n1 15668952 MPSQVCJVQAWWOE-UHFFFAOYSA-N 329.360 2.022 0 1 EEAF CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc(C(=O)O)c1O)OC2=O 169325356 XHDIHHKDNRURPQ-IAGOWNOFSA-N 333.340 2.151 0 1 EEAF N=c1[nH]nc(S[C@@H](C(N)=O)c2nc(-c3ccccc3)cs2)s1 1857752382 XTPCJWDDDGGJIL-VIFPVBQESA-N 349.466 2.393 0 1 EEAF CC[C@@H]1C[C@H]2C[C@H]3[C@H]1N(C2)C[C@H](O)[C@@]31Nc2ccc(OC)cc2C1=O 2356332430 DSABJRUCTHPZJA-UJXVTRPBSA-N 342.439 2.153 0 1 EEAF COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491922 BYCAHXLLSTUBOG-OAHLLOKOSA-N 334.416 2.273 0 1 EEAF CCO[C@H](C=CC=C[C@H](C)O)CCC=CC(=O)NCC(C)(C)O 2356284701 QYFDCLLLDJSPJX-JKSUJKDBSA-N 325.449 2.108 0 1 EEAF COc1cc(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)ccc1O 101963283 UZSUPBUUTRNOGQ-GJZGRUSLSA-N 326.396 2.182 0 1 EEAF CCN1CCC[C@H]1CNC(=O)c1c(OC)c(O)cc(Cl)c1OC 64454354 MJPCQTFHQPZUOE-JTQLQIEISA-N 342.823 2.277 0 1 EEAF Cc1c(N2CCC(O)CC2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 27556512 WGOVCMABQIRLPH-UHFFFAOYSA-N 342.395 2.304 0 1 EEAF C[C@@H]1C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@H]1CC[C@@H]1COC(=O)C1 40934474 ICFFHPZZHODBJN-NNSCZBDESA-N 332.396 2.434 0 1 EEAF CCCCCCNC(=O)C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)O 45392265 NRLBWIYZCCOVDV-LPQFERQCSA-N 346.427 2.356 0 1 EEAF CC/C=C/C/C=C\[C@H]1CC(=O)NCCCN(C(C)=O)CCCCN1 238736081 XNQNGMLBSCADES-DYTJBYSWSA-N 335.492 2.396 0 1 EEAF O=C(c1ccccc1)N1CCN2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 25412621 YVAPOHJIEPNRQU-MRXNPFEDSA-N 341.411 2.108 0 1 EEAF biogenic CCN1CCC(n2cc(CN3CC[C@@H]4SC=C[C@@H]4C3)nn2)CC1 96924143 SLBOIEZSALKLLZ-PBHICJAKSA-N 333.505 2.386 0 1 EEAF Cc1cccc(-c2noc(C3CN(C(=O)C4CCOCC4)C3)n2)c1 95575471 AZHZTMZPROULDD-UHFFFAOYSA-N 327.384 2.397 0 1 EEAF O=C(Cc1cccs1)N1C[C@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C1 299841749 DXYJPJPUTUFQAR-BZUAXINKSA-N 334.485 2.250 0 1 EEAF CN(C)CCOc1ccc2nc(-c3nnn(C)c3C(F)F)[nH]c2c1 587127992 DQJWQGNWPXDEJX-UHFFFAOYSA-N 336.346 2.236 0 1 EEAF CCCS(=O)(=O)N1CCC(c2nc3ccc(OC)cc3[nH]2)CC1 586953202 RHOYEZGQFIDHGM-UHFFFAOYSA-N 337.445 2.491 0 1 EEAF Cc1c(O)ccc2c1[C@]1(CCOc3cc(F)ccc31)N[C@H](C(=O)O)C2 963507586 IMCSVANYJHYQEL-IFXJQAMLSA-N 343.354 2.465 0 1 EEAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC(=O)N(N)C2=O 5811785 HDOMUOSSPZHKBI-SKHHDZDTSA-N 332.444 2.149 0 1 EEAF Cc1ccc2c(O)c(C(=O)OC3C[C@@H]4CC[C@H](C3)N4C)cnc2n1 13825930 WMURKFAEZXXMDJ-FUNVUKJBSA-N 327.384 2.426 0 1 EEAF CC(=O)C1=c2oc3c(c2Oc2ccccc21)C(=O)C(C)(C)C(=O)C=3C 14682420 CQEHHYNZYRAVFN-UHFFFAOYSA-N 336.343 2.136 0 1 EEAF biogenic,in-vitro COC(=O)COCCN[C@]1(c2ccccc2Cl)CCCCC1=O 1857561650 NHXXFYDSYCWEPJ-KRWDZBQOSA-N 339.819 2.458 0 1 EEAF O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 326779802 OKGKHPUWMCLYII-KKOKHZNYSA-N 343.257 2.178 0 1 EEAF C[C@]12COC3=C1[C@](C)(CC[C@@H]2O)[C@@]12CC[C@@](O)(C(=O)O)[C@@H](C[C@@H]1C3)C2 2356324959 MFUFYVRSGKJJNS-DVMPKPPKSA-N 348.439 2.464 0 1 EEAF Cc1ccc(-n2c(=O)cc(N3CCc4ccccc4C3)[nH]c2=O)cc1 4005070 YKWFWGAXQBGXCO-UHFFFAOYSA-N 333.391 2.397 0 3 EEAF aggregator CC(=O)[C@H]1[C@@H](O)C(=O)N(c2ccc(C(=O)O)cc2)[C@H]1c1ccccc1 102239961 CBTBGCPAOMXRGA-IXDOHACOSA-N 339.347 2.039 0 1 EEAF Cc1cc(=O)n(CC(=O)NC2CC2)c2c1c(C)nn2-c1ccccc1 9582052 USDBPYYSEGGIGI-UHFFFAOYSA-N 336.395 2.083 0 3 EEAF O=C1OC(c2ccccc2)=N/C1=C/N[C@@H](Cc1ccccc1)C(=O)O 34172181 CKOCGKUJIGEMGI-DLEKYWELSA-N 336.347 2.117 0 1 EEAF C[C@@H](NC(=O)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1)c1ccccc1 73157141 MRWXXCJABKSUFB-OLMNPRSZSA-N 336.439 2.228 0 1 EEAF O=C1Cc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc2N1 74923479 OFVIGQLUVRVXJB-UHFFFAOYSA-N 336.800 2.313 0 1 EEAF Cc1csc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)n1 45393137 IGVWFYUNOUIDFI-UHFFFAOYSA-N 340.412 2.124 0 1 EEAF O=c1[nH]c2ccc(Cl)cc2n1S(=O)(=O)c1ccc(F)cc1 42922348 JYHMROFAFBXFJK-UHFFFAOYSA-N 326.736 2.359 0 1 EEAF NC(=O)c1cccc2[nH]n(C3CCN(C4CCCC4)CC3)c(=O)c12 146728698 OVJIYLSTZRNOLG-UHFFFAOYSA-N 328.416 2.008 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@H]1[C@H]2[C@@H]2C=C[C@@]1(O)C(=O)O2 238731517 FNDYJRBJAVGLKR-UJONSFQJSA-N 344.363 2.143 0 1 EEAF C[C@H]1CC(=O)N([C@@H](C)C(=O)NCc2ccccc2C(F)(F)F)C1=O 299868609 RXAAVLGVCKRRBR-UWVGGRQHSA-N 342.317 2.105 0 1 EEAF CNS(=O)(=O)NCc1nc2ccc(Sc3ccccc3)cc2[nH]1 586942803 LHBYCNWJTGPPON-UHFFFAOYSA-N 348.453 2.268 0 1 EEAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(C(O)O)[C@@H](C2)C3=O 587422238 XRJAHFQPRCIKPO-SCLBCKFNSA-N 346.766 2.302 0 1 EEAF COC(=O)[C@@H]1SC[C@H](C)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454250 VTFJAUVPOVWQGS-WIGBDHQXSA-N 334.393 2.106 0 1 EEAF O=C(O)CCc1nc2ccccc2nc1OCCOc1ccccn1 1772576899 YWDAOPQQYJVRQL-UHFFFAOYSA-N 339.351 2.500 0 1 EEAF N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCC(F)CC1 13561268 LFKRQSSJAHOQJD-HNNXBMFYSA-N 327.831 2.108 0 1 EEAF C[C@H](c1ccccc1)N1C(=O)c2c(c(O)c3nccnc3c2O)C1=O 13612249 RUGIXSZMKDPQRI-SECBINFHSA-N 335.319 2.398 0 1 EEAF CC(/C=C/C(=O)N[C@@H](CO)Cc1ccc(O)cc1)=C\[C@H](C)CC(=O)O 15212932 PWIPPVISROQJBU-JVGXMFLGSA-N 347.411 2.025 0 1 EEAF CCCCN1CCN(C(=O)CSc2nc3cccnc3n2C)CC1 203475378 IWQWNTCPHRNVAL-UHFFFAOYSA-N 347.488 2.005 0 3 EEAF N=c1nc(-c2ccccc2CO)[nH]c(=NCc2cccc(Cl)c2)[nH]1 1857559539 OVUXKDDFQCZMAG-UHFFFAOYSA-N 341.802 2.131 0 1 EEAF CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758478 PKTCEVHCHKHMSR-HOCLYGCPSA-N 346.427 2.415 0 1 EEAF O=c1onc2n1-c1ccc(Cl)cc1C(=S)N1CSC[C@@H]21 1649464 ZOGUITUFUCGBOY-VIFPVBQESA-N 325.802 2.215 0 1 EEAF CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2cccc(O)c2)cc1)C(=O)O 28563357 MOKOZKYFLUBWEC-MRXNPFEDSA-N 349.408 2.447 0 1 EEAF CCO[C@@H]1c2ccc(O)c(O)c2O[C@H](c2ccc(O)c(O)c2)[C@H]1O 14436108 NQOFTXRHCNWFGZ-BZUAXINKSA-N 334.324 2.081 0 1 EEAF biogenic O=C(O)Cn1cc([C@H]2NS(=O)(=O)c3ccccc32)c2ccccc21 49089391 ZWIUKYWJOORMTG-KRWDZBQOSA-N 342.376 2.107 0 1 EEAF c1cc(CN2CCOCC2)cc(OC[C@@H]2CN(C3CCC3)CCO2)c1 40957204 NIPMSTUGWAGNHI-FQEVSTJZSA-N 346.471 2.151 0 1 EEAF Cn1cnnc1Sc1ccc(N)c(C(=O)Nc2nccs2)c1 40952395 SGEAXPZPLDIFIY-UHFFFAOYSA-N 332.414 2.257 0 1 EEAF OCCOCCNc1cncc(Oc2cccc3cccnc23)n1 82068544 MLMSJJOFJSKUFW-UHFFFAOYSA-N 326.356 2.238 0 1 EEAF CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)CCN2 82204460 YZUHNZKPGVYPNU-UHFFFAOYSA-N 340.383 2.204 0 1 EEAF NC(=O)c1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O 149229701 KJQBFBVWMPTTNR-UHFFFAOYSA-N 339.380 2.237 0 1 EEAF COC(=O)[C@@H](CCSC)NC(=O)c1cc2cc(OC)ccc2o1 146997924 GGRRRODITJJJGS-GFCCVEGCSA-N 337.397 2.466 0 1 EEAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c[nH]c(=N)[nH]c-2n1)C(C)(C)C 587203639 GFPJVAIESWAFGP-JTQLQIEISA-N 334.424 2.199 0 1 EEAF COC(=O)c1ccc2nc(C(C)(C)SCC(=O)O)[nH]c2c1OC 586958519 FWCOJNYJKVHPKZ-UHFFFAOYSA-N 338.385 2.411 0 1 EEAF CON(C)C(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570856 JPTVOWHCZBWZMO-RDTXWAMCSA-N 343.335 2.132 0 1 EEAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586962049 NXUDKWSVFYHDAV-RXMQYKEDSA-N 343.372 2.076 0 1 EEAF Cc1cc(=O)oc2cc(NC(=O)CNCCc3ccccn3)ccc12 1772640401 YBPYTUVVBKVPCV-UHFFFAOYSA-N 337.379 2.267 0 1 EEAF COc1ccc(-c2cn3c(O)nc4c(c3n2)CN(C)CC4)c(F)c1 13492068 PRMAZDDLWMMDMG-UHFFFAOYSA-N 328.347 2.238 0 1 EEAF CCNC(=O)c1ccc(OCc2conc2[C@@H]2CC[C@H](F)CN2)nc1 169685455 BNWULAPQCJYZBN-KBPBESRZSA-N 348.378 2.161 0 1 EEAF CCOCCN1CCN(C=C2NN=C(c3occc3C)O2)C[C@H]1CC 1857587781 WMNUODDXIHAJGN-OAHLLOKOSA-N 348.447 2.101 0 1 EEAF O=C1Cc2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cc2N1 1857645407 GPNJTCJIXCUHLY-CYBMUJFWSA-N 342.326 2.305 0 1 EEAF CCCCC[C@H]1CCCCC[C@@H](O)C[C@H](O)[C@H](O)C=CC(=O)O1 254096123 LEEBEEPDVOWSDN-TWMKSMIVSA-N 328.449 2.472 0 1 EEAF OC[C@@H]1[C@H](O)C[C@@H](NC2CCCCC2)[C@@H]1Cc1ccnc(C2CC2)n1 2356289108 POAOAAKLQHFLLT-FCGDIQPGSA-N 345.487 2.177 0 1 EEAF Cc1ccc(C[S@](=O)Cc2ccc(C(=O)NCCN(C)C)o2)cc1 6895719 NGHCFOKCVKDNAD-XMMPIXPASA-N 348.468 2.328 0 1 EEAF Cc1ccc2sc(NC(=O)CSc3nc(N)cc(=O)[nH]3)nc2c1 8572985 JEFHTWQHGUONEM-UHFFFAOYSA-N 347.425 2.001 0 1 EEAF COCCN1C(=S)N[C@H](c2cccc(F)c2)C(C(=O)OC)=C1C 28725688 FGYXCUPPIRVGME-CQSZACIVSA-N 338.404 2.150 0 1 EEAF NC1=N[C@@H](c2ccco2)NC(NCCCOc2ccc(Cl)cc2)=N1 71296188 LTQUYUCHMJDPMX-CQSZACIVSA-N 347.806 2.264 0 1 EEAF CC(=O)NC1=NCC[C@H](c2cn(C)c3ccc(Br)cc23)N1 45298387 XUOJOFWEISANGZ-CYBMUJFWSA-N 349.232 2.467 0 1 EEAF O=C(O)c1cc2ccc(OCn3nnc4ccccc43)cc2oc1=O 96938283 RTZVDKFWAUMXCQ-UHFFFAOYSA-N 337.291 2.272 0 1 EEAF NC(N)c1ccc(NCCCCCNc2ccc(C(N)N)cc2)cc1 474609935 XLRXCKQDOWTTDF-UHFFFAOYSA-N 342.491 2.213 0 1 EEAF NC(=O)CC1(n2cc(Nc3ncnc4[nH]ccc34)cn2)CCCC1 653846536 MNIMMZKPXUHBAO-UHFFFAOYSA-N 325.376 2.043 0 1 EEAF C[C@]12CC[C@H](O)[C@@](C)(CO)[C@H]1CC[C@@H]1C[C@@H]3C[C@@]12CC[C@@]3(O)CO 13543697 NOFOAYPPHIUXJR-ULWYFIRJSA-N 338.488 2.086 0 1 EEAF COC(=O)C(C)(C)NC(=O)c1ccc(C)c(OCC(F)(F)F)n1 150138642 ZZMFXRUCFZHIFN-UHFFFAOYSA-N 334.294 2.013 0 1 EEAF CC(=O)[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(C)=O 205861442 SKBKHVQEPMDNTK-IBGZPJMESA-N 338.407 2.309 0 3 EEAF CN(C)C1=N[C@H](c2ccc(OCc3ccc(F)cc3)cc2)NC(=N)N1 1857755662 HOSAXJJMFZPNDI-MRXNPFEDSA-N 341.390 2.448 0 1 EEAF CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(C(N)=O)c2)C1 7983917 VQKKFQDGZVDKJW-CXAGYDPISA-N 336.457 2.375 0 1 EEAF COC(=O)c1cc(O)c2c(c1)[C@@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 2356402851 SCVUAQMETPPABH-WBMJQRKESA-N 346.335 2.103 0 1 EEAF O=C(Cn1[nH]cc2c3ccccc3nc-2c1=O)NCCc1ccccc1 103711279 NPCOWJUEKVDHBJ-UHFFFAOYSA-N 346.390 2.188 0 3 EEAF O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1c3ccccc3[C@@H]2S1(=O)=O 102934305 UPTXECXZLCKHIL-FZKCQIBNSA-N 339.372 2.017 0 1 EEAF N[S@](=O)(CCc1ccccc1)=NCC(=O)OCc1ccccc1 29314077 JYRCAVZYIONEOE-HSZRJFAPSA-N 332.425 2.314 0 1 EEAF C[C@@H](NC(=O)c1cccnc1)[C@H](c1ccccc1)N1CCN(C)CC1 22036699 GGYDJTNPUODFMX-VQIMIIECSA-N 338.455 2.189 0 3 EEAF CCCNC(=O)[C@]1(C)CCCN(C(=O)Cc2ccc(OC)cc2)C1 61904579 JVILSCOARVCOLP-LJQANCHMSA-N 332.444 2.393 0 3 EEAF O=C(c1ccccc1)c1c(C(F)F)[n+]([O-])c2cc(F)ccc2[n+]1[O-] 71317190 UURWWGAPDFTDKT-UHFFFAOYSA-N 334.253 2.414 0 1 EEAF O[C@@]12c3ccccc3[C@]1(N1CCOCC1)CCCCC21OCCCO1 31852001 VAOWMWKFKFODLA-QUCCMNQESA-N 345.439 2.123 0 1 EEAF Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1cc(CN)ncn1 39421107 QLEAQZPHDZBKQP-UHFFFAOYSA-N 326.379 2.489 0 1 EEAF C[C@@H]1CC(=O)[C@]2(CO)[C@H]([C@H](O)CC[C@@]23CO3)[C@@]1(C)CCc1ccoc1 13455319 VGSNGCOAALEARN-LBJMHTGYSA-N 348.439 2.346 0 1 EEAF biogenic COc1oc(=O)c2cc(NC(=O)CCC(=O)O)ccc2c1Cl 40632534 IFMQOSXHJIUCEY-UHFFFAOYSA-N 325.704 2.258 0 1 EEAF C/C=C\[C@H]1Oc2ccc(OC)cc2N2C(=O)[C@H](C)[C@@H](OCOC)[C@@H]12 195492769 BSKPAPARTCMSGM-YCYLYFMUSA-N 333.384 2.373 0 1 EEAF CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)CCN3)cc1 82204688 LLTBHLKECXYQBV-UHFFFAOYSA-N 344.415 2.027 0 1 EEAF Nc1ncc(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cn1 224806386 RZDWRJFKKKQJJG-UHFFFAOYSA-N 344.371 2.179 0 1 EEAF CC(C)CNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](C)CN2 82211775 NQJFMHNRQCQDJY-LLVKDONJSA-N 334.445 2.174 0 1 EEAF C[C@](CC(N)=O)(NC(=O)c1cc(OCCF)c(C2CC2)cn1)C1CC1 146215364 MSUFNCXRNKWDMI-GOSISDBHSA-N 349.406 2.081 0 1 EEAF CNC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576039 DUGJLJDSKPPKIW-MAUKXSAKSA-N 327.336 2.249 0 1 EEAF CC1(C)COC2(C[C@@H]3c4cc5c(O)nc(O)nc5nc4C[C@@H]3C2)OC1 587563215 PSPCCBQHYZARHQ-SKDRFNHKSA-N 343.383 2.255 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(C(C)(C)C)O2 587410749 ZAFADHUAEIZRTM-INIZCTEOSA-N 325.430 2.372 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)C2=O)N1 587771714 WVUBYFRKQJEXAE-XLKFXECMSA-N 327.197 2.180 0 1 EEAF CC1CCC(NS(=O)(=O)Cc2nc3cc4cn[nH]c4cc3[nH]2)CC1 586952974 OTAUZWJVHWLZBM-UHFFFAOYSA-N 347.444 2.437 0 1 EEAF CN(C)CCNC(=O)c1ccc2nc3c(nc2c1)C(=O)c1ccccc1-3 1636753 SCEMFCFPZFBBNB-UHFFFAOYSA-N 346.390 2.133 0 1 EEAF O[C@]1(c2ccc(Cl)cc2)c2c(ccc3c2OCO3)C2=NCCN21 6041417 HKALZDMFTTZJLT-QGZVFWFLSA-N 328.755 2.338 0 1 EEAF O=c1c(Br)cc(Br)c2n1C[C@H]1CNC[C@H]2C1 101031799 UIRFWXCFBPYLDL-RNFRBKRXSA-N 348.038 2.080 0 1 EEAF COc1nc(N)c(Cl)cc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 27423360 BCLLSLQFCCDNIE-FGWVZKOKSA-N 338.839 2.071 0 1 EEAF Cn1c(N2CCO[C@@H](c3ccccc3)C2)nc(-c2ccncc2)cc1=O 103241146 INOJXUNPXDYZIP-GOSISDBHSA-N 348.406 2.420 0 1 EEAF C[C@]1([C@H](O)CO)C=C2CC[C@@H]3[C@](C)(CO)[C@H](O)CC[C@]3(C)[C@H]2CC1 2356684313 MXHRQWXLVXRIMG-BKFJMFTRSA-N 338.488 2.252 0 1 EEAF COC1=C(C)C(=O)O/C1=C1/O[C@@]23CCCN4CCC[C@@H](O2)[C@H]4[C@H]3[C@@H]1C 38287757 LXAQGNNSRKLTLE-PPBHGVCISA-N 347.411 2.311 0 1 EEAF biogenic,in-vitro Nc1nc(N2C[C@@H]3CCN[C@@H]3C2)c2oc3ccc(Cl)cc3c2n1 73156190 DSARWPRWXDBOQN-GZMMTYOYSA-N 329.791 2.410 0 1 EEAF C[C@]1(O)CC[C@@]23C[C@@H]1C[C@]2(O)CC[C@@H]1[C@]3(C)C[C@@H](O)C[C@@]1(C)CO 40952067 FOCVEWGELGYRTJ-ZAPBJXTKSA-N 338.488 2.228 0 1 EEAF CC(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)O 95559293 KNBGWMZYQFXBFN-SFHVURJKSA-N 327.380 2.440 0 1 EEAF NS(=O)(=O)c1ccc(N2CCN=C2c2ccc(Cl)cc2)cc1 299833833 XEDQBNJZQCYXQJ-UHFFFAOYSA-N 335.816 2.254 0 1 EEAF COc1c(F)ccc(F)c1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587133282 RKQRWPWAVDIOGU-UHFFFAOYSA-N 339.323 2.164 0 1 EEAF CCNC(=O)CCc1nc2ccc(I)cc2[nH]1 587231708 ZKOKXGFJSXLLGY-UHFFFAOYSA-N 343.168 2.236 0 1 EEAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ncc[nH]c-4n3)cc12 587037660 MFVPRNILAHINAB-QMMMGPOBSA-N 341.400 2.052 0 1 EEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Cl)c(F)cc2[nH]1 587202040 BANPVGWSHLCXEL-LBPRGKRZSA-N 340.786 2.434 0 1 EEAF O=C(O)CSc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1F 587368614 STBFZGOZWROYMP-UHFFFAOYSA-N 347.327 2.419 0 1 EEAF CCCCC[C@H]1CCCCC[C@@H](O)C[C@H](O)[C@H](O)/C=C/C(=O)O1 13369205 LEEBEEPDVOWSDN-JBVUFGPBSA-N 328.449 2.472 0 3 EEAF CCOC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(C)=O)C2 13443718 FETNDGYAQYFIMI-UHFFFAOYSA-N 340.401 2.398 0 1 EEAF CN(Cc1ccccc1)c1cccc(C(=O)N[C@H]2CCN(C#N)C2)n1 1857599111 MURCJUZFRZIJMS-INIZCTEOSA-N 335.411 2.003 0 1 EEAF O=C1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 34347886 XNXORWDKIQPSNX-ILWKUFEGSA-N 325.408 2.411 0 1 EEAF CN(C)CC[C@H]1CN(C)C(=S)c2cc(Br)cnc2O1 26290266 YDOUHTHUKILQDC-JTQLQIEISA-N 344.278 2.164 0 1 EEAF C[C@]1(C(=O)NCc2cccnc2)CCN1C(=O)c1cccc(F)c1 61928447 XGLSCEDLSGNURV-GOSISDBHSA-N 327.359 2.142 0 3 EEAF CCCn1cnc(NC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)n1 20993530 CMUPEMQETLTYMB-CYBMUJFWSA-N 342.403 2.210 0 1 EEAF O=C1C[C@H]2[C@H](c3cccc(O)c31)[C@H]1c3cccc(O)c3C(=O)[C@H]2[C@H]1O 2356493065 JGTRUZSFUZQJBG-DAZLQPTFSA-N 336.343 2.355 0 1 EEAF O=C1C[C@@H]2[C@@H]3CC[C@H](O)c4c(O)ccc(c43)[C@]2(O)c2cccc(O)c21 2356719818 JANZOCFCNANROF-BUMNWJDGSA-N 338.359 2.461 0 1 EEAF OC1=C(CN2CCOCC2)C=C2C=C3CCCN4CCCC(=C2O1)[C@H]34 2356822945 GHGQNNRSRODJDN-SFHVURJKSA-N 342.439 2.497 0 1 EEAF C[C@@H]1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)CCC[C@]45CO[C@H](C[C@H]1[C@H]2O)[C@H]53 504617452 LTTPBOKKKVOQID-DVIVBWMCSA-N 334.456 2.165 0 1 EEAF biogenic COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)c(O)cc1O 14436587 BXZSWNFKWJEHAY-UHFFFAOYSA-N 346.291 2.300 0 1 EEAF biogenic C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)CC(C)=C1C[C@H](Cl)[C@@](C)(O)[C@@H]12 14923551 ZSKBNZHYKGNZGI-HNWQQQBSSA-N 340.803 2.114 0 1 EEAF biogenic CCn1nccc1Oc1cc(C[C@H]2C[C@H](O)C2)cnc1NC(=O)NC 299832026 JPIQZOOVYMKWGU-AULYBMBSSA-N 345.403 2.155 0 1 EEAF Cc1nc(-c2ccccc2)sc1Cc1nc2c(O)nc(N)nc2[nH]1 587012951 VYCWEZSDBVOAIF-UHFFFAOYSA-N 338.396 2.663 0 1 EEAF CNC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587743777 PPKOBMMKJRLLDI-RMLUDKJBSA-N 329.213 2.474 0 1 EEAF CN[C@H](c1cccnc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587227295 YBPWIMSORNVZJV-GOSISDBHSA-N 337.427 2.099 0 1 EEAF Cc1cc(Br)cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 587970522 JKCMYHQPSHGRRY-PSVAKVPMSA-N 339.145 2.133 0 1 EEAF COC(=O)C[C@H](C)Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587786523 RDUVFVUGAXIEOJ-CYBMUJFWSA-N 330.432 2.056 0 1 EEAF CS[C@@H]1C(=O)N(C(=O)NCc2ccncc2)[C@H]1Cc1ccccc1 13780489 QKWOVFQEKXZOQF-HOTGVXAUSA-N 341.436 2.476 0 1 EEAF CC[C@@]12CCN(C)[C@@H](Cc3ccc(OC(C)=O)cc31)[C@@H]2OC(C)=O 169342304 JAXIJALKBGMFCU-GBESFXJTSA-N 331.412 2.452 0 1 EEAF O=C1Oc2ccccc2[C@H](O)[C@@H]1Cc1c(O)c2ccccc2oc1=O 169714724 VTMRYFQHHNZEHS-LRDDRELGSA-N 338.315 2.310 0 1 EEAF Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3nnc(C)s3)C2)n1 4967787 DGCFHWHNQUQZGF-GFCCVEGCSA-N 332.433 2.108 0 3 EEAF N[C@@](CCc1c(Cl)cccc1Cl)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O 27201571 VBYMBELGFSXVDL-ATEUNZGCSA-N 332.183 2.429 0 1 EEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3ccnc3C)c(F)c21 26278504 QVTKRDDOPUQENL-UHFFFAOYSA-N 333.294 2.492 0 1 EEAF CO[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@]2(O)[C@H](CC2(C)C)[C@@H](CO)C1 2356668868 FBYOODMLZCFCSM-MAPUTHEBSA-N 326.433 2.059 0 1 EEAF O=CN1CCc2cc3c(c4c2[C@@H]1Cc1ccc2c(c1-4)OCO2)OCO3 14618839 GLSBUIUCQTYLOT-LBPRGKRZSA-N 337.331 2.423 0 1 EEAF biogenic CC(=O)c1c(O)c2c(c3c1OC(C)(C)C=C3)OC(C)(C)[C@H](O)[C@H]2O 14616773 OFKZCOFIJRMOJI-XJKSGUPXSA-N 334.368 2.344 0 1 EEAF biogenic COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H](O)C2=O 14728159 LUYYFWQYAWIGJJ-QZTJIDSGSA-N 330.336 2.390 0 1 EEAF biogenic c1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1 84706175 KUTKQDYOFNBYJJ-UHFFFAOYSA-N 333.399 2.087 0 1 EEAF CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccncc12 96142567 GLIKXGUKJACLEU-UHFFFAOYSA-N 329.425 2.377 0 1 EEAF O=C(c1nc2c(O)nc(O)nc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133245 NFEZJJKZHSAAOO-UHFFFAOYSA-N 343.101 2.441 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CO[C@@H]2CCCO[C@@H]2C1 963582111 OZXQZABZTKFSIN-IQRRUJBNSA-N 333.428 2.401 0 1 EEAF CSc1ccccc1OCc1cc(C(=O)N[C@H]2CCOC2)no1 12433243 UBLYEXGEDRDDBA-NSHDSACASA-N 334.397 2.494 0 3 EEAF O=C(O)c1cc(=O)c2cccc(S(=O)(=O)c3ccccc3)c2[nH]1 169314530 FCBOMRWZLHCYSY-UHFFFAOYSA-N 329.333 2.059 0 1 EEAF COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1 2461470 ZYBAJBINWHBWSE-UHFFFAOYSA-N 336.394 2.399 0 1 EEAF CC1(C)CN(C(=O)c2ccccc2F)C[C@H]2CN(CC3CC3)CCN21 2356303384 SRDXQDDKRHWSAI-MRXNPFEDSA-N 345.462 2.456 0 1 EEAF Cc1cc(C)n(-c2nc(NCC(F)(F)F)cc(-n3cccn3)n2)n1 103238115 HOHGICFLPPFDMU-UHFFFAOYSA-N 337.309 2.439 0 1 EEAF C[C@@H]1CC[C@]2(CO)C(CO)=CCC[C@H]2[C@]1(C)CCC(=CCO)CO 2356616918 KZBUOBLJHGAMHA-NMLACTOBSA-N 338.488 2.421 0 1 EEAF C=CC(=O)Oc1ccc([C@H]2[C@H](OC(=O)C=C)C(=O)N2SC)cc1 28816446 XRBQDKJWIBCISV-GJZGRUSLSA-N 333.365 2.037 0 1 EEAF Cc1ccccc1-n1c(C)nc2cc(N3C(=O)C=CC3=O)ccc2c1=O 73296233 XCQQLQHKVUYZDH-UHFFFAOYSA-N 345.358 2.432 0 1 EEAF CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2cccnc21 34634352 NXGLQPLKYZTCKK-UHFFFAOYSA-N 329.425 2.431 0 1 EEAF CCC[C@H](N)[P@](=O)(O)C(=S)NCc1ccccc1C(=O)OC 49067422 SAOFAZQPWFNPRB-GFCCVEGCSA-N 344.373 2.203 0 1 EEAF Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(N2CCNCC2)n1 40894482 FZVKIZLAUZQLOL-UHFFFAOYSA-N 344.390 2.249 0 1 EEAF COc1ccccc1-c1cc(C(=O)NCc2ncccc2C)nc(N)n1 45348578 SKIXXTANEXOQMD-UHFFFAOYSA-N 349.394 2.368 0 1 EEAF CC(C)(C)[C@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1 84738988 ITZAPORCNAKHLS-OAHLLOKOSA-N 339.443 2.114 0 1 EEAF CCCc1c(O)ccc2c1O[C@](C)(CN1C(=O)CCC1=O)CC2=O 587475411 LOUZPSXVFKHDEX-SFHVURJKSA-N 331.368 2.218 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc3ccccc3o1)(C(O)O)O2 587411858 KXQLADPNSJOWKA-LJQANCHMSA-N 339.347 2.495 0 1 EEAF COc1cc(NC(C)=O)ccc1-c1ccc2c(O)nc(O)nc2n1 587556177 VLPGJMPNRGFQDB-UHFFFAOYSA-N 326.312 2.070 0 1 EEAF N=C(N)c1ccc(CC[C@@H](CC(=O)O)c2cccc(C(=N)N)c2)cc1 13776608 CZMBCKCIGRXHMR-HNNXBMFYSA-N 338.411 2.446 0 1 EEAF C[C@@H]1C[C@H]2C=CC[C@H](CC(=O)Cc3cc(O)cc(O)c3C(=O)O1)O2 1857645722 YPFCFISQQPPOOK-VCTAVGKDSA-N 332.352 2.262 0 1 EEAF COC(=O)CSc1nnc2c(n1)[nH]c1c(OC)ccc(Cl)c12 422001 LZEJOSGIFWNHET-UHFFFAOYSA-N 338.776 2.433 0 1 EEAF Cc1nc(CNCc2cccc(O[C@@]34CCCN(CC3)C4)c2)n[nH]1 67834399 AYTUYJYCKIKZSM-SFHVURJKSA-N 327.432 2.020 0 1 EEAF CCn1nc2c(n1)C(N1CCN(C)CC1)=Nc1cc(Cl)ccc1N2 26474365 ZEVGPRCQHVRZNO-UHFFFAOYSA-N 345.838 2.334 0 1 EEAF CCNc1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1 34029600 KGAAVMQKNCVQOT-UHFFFAOYSA-N 345.468 2.361 0 1 EEAF Cc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)c1 74379002 XODLTFCYMNEQEQ-DLBZAZTESA-N 342.420 2.419 0 3 EEAF CC(C)NC[C@@H](O)COc1ccc(/C=C/CO)cc1Br 40632532 CVOIBIVLYLGZOC-ITDFMYJTSA-N 344.249 2.192 0 1 EEAF CN(C)C(=O)Nc1ccc(-c2cccc(CN(C)C(=O)CN)c2)cc1 142314666 VCMLZTSLRJSNSW-UHFFFAOYSA-N 340.427 2.364 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc3ccccc3o1)(C(O)O)O2 587411857 KXQLADPNSJOWKA-IBGZPJMESA-N 339.347 2.495 0 1 EEAF O=C1CC2(C[C@@H](C(=O)O)[C@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 587529189 KXKRXTZMYOZFIY-ZIAGYGMSSA-N 344.363 2.465 0 1 EEAF CC1=C(c2ccc3nc([C@H](N)c4ccsc4)[nH]c3c2)NNC(=O)C1 587028072 VQZCYXVGJNESTH-OAHLLOKOSA-N 339.424 2.428 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3cccnc3)nn1)O2 587391607 NXZBSBLSQCECOG-KRWDZBQOSA-N 335.367 2.319 0 1 EEAF COC(=O)[C@@H]1CC(=O)C[C@@]2(C1)NCCc1c(OC)ccc(Cl)c12 963256779 FFPSMXFWKJPFID-BMLIUANNSA-N 337.803 2.232 0 1 EEAF CC[C@@]1(Cn2cncn2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962617957 BDTYNFPUEFILTH-FZKQIMNGSA-N 330.432 2.477 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)OCCN1C[C@H](C)O[C@@H](C)C1 13761092 SNYJGSDBCHKBGS-QWRGUYRKSA-N 342.823 2.197 0 1 EEAF Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O 13779257 CUYIBIIXRWZLMQ-IEBWSBKVSA-N 341.407 2.170 0 1 EEAF CC(=O)[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(C)=O 205861454 SKBKHVQEPMDNTK-LJQANCHMSA-N 338.407 2.309 0 3 EEAF C[C@]12CCCC(CO)(CO)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 504348370 OSDMCLGYBVZLJQ-PPSVVTBLSA-N 338.488 2.087 0 1 EEAF biogenic C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)[C@@H]4O[C@@H]4[C@]3(C)[C@]1(C)[C@]21CO1 33953695 LAQCZBYXNRANFU-WQOXNDGTSA-N 332.396 2.154 0 1 EEAF CC(=O)OCc1cc2c([nH]c3ccccc32)c([C@@H](O)COC(C)=O)n1 14684143 ULBLUJBIDCYVTD-INIZCTEOSA-N 342.351 2.376 0 1 EEAF biogenic CCCNC(=O)CSc1nc(C)c(Cc2ccccc2)c(=O)n1C 45318449 XDELZUVUYHXUGB-UHFFFAOYSA-N 345.468 2.298 0 1 EEAF CN1CCCN(c2cncc(-c3cccc(CCC(=O)O)c3)n2)CC1 40836521 IJUBBPPDMGHDJN-UHFFFAOYSA-N 340.427 2.303 0 1 EEAF CC(=O)N[C@H]1CCN(c2ncc(C)c(NC3CCC(C)CC3)n2)C1 82203484 JQDZTBCZOCAAAS-MOQPWLNLSA-N 331.464 2.490 0 1 EEAF CCNc1nc(N2CCN(CC)CC2)nc2cc(OC)c(OC)cc12 82132180 SKYWDMZVXKUUGU-UHFFFAOYSA-N 345.447 2.221 0 1 EEAF C[C@@H](CO)[C@H]1[C@@H](O)[C@@H](O)C2=CC3=C(CO)CCC[C@@]3(C)CC[C@@]21C 238786236 MLRHGLBUEINMPQ-GKTJGWDOSA-N 336.472 2.172 0 1 EEAF COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O)c1)[C@H](OC)C2=O 29037476 UMLUSIZQABTJOI-QZTJIDSGSA-N 346.335 2.446 0 1 EEAF biogenic C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587095092 XRRVXFUPSGSMKQ-KGFZYKRKSA-N 329.282 2.416 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)NCC2(C)C 587799428 XBTNASFTLRQWIM-GLEZIHRCSA-N 341.224 2.474 0 1 EEAF COC(=O)c1ccnc2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc12 587044339 SSPWWHPKYAUSHV-UHFFFAOYSA-N 340.364 2.456 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNC(=O)C2)N1 587794992 MXPXFHLFAIWLLT-XLKFXECMSA-N 327.197 2.228 0 1 EEAF COCCCCn1c(=O)cc(Nc2ccc(C)c([C@@H](C)O)c2)[nH]c1=O 13522385 HZUKJCLMSZYRJF-CYBMUJFWSA-N 347.415 2.069 0 1 EEAF CN(C)Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12 13560011 QUZHRQSFJYFDCO-UHFFFAOYSA-N 334.383 2.313 0 1 EEAF COC(=O)C[S@@](=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 13584829 SVDJATZZTSSCDA-DZKLMBRESA-N 343.876 2.297 0 1 EEAF O=C(NC[C@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1Cc1ccco1 427241 IOGPNAUETBLASO-DYVFJYSZSA-N 340.379 2.272 0 1 EEAF CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(-n2cncn2)cc1 61906433 JFQYHDBCEGLJAV-GOSISDBHSA-N 341.415 2.387 0 3 EEAF Cc1cccc2c1C(=O)N(c1cc(C(=O)O)cc(C(=O)O)c1)C2=O 72110416 WBSFXCAZEARAAR-UHFFFAOYSA-N 325.276 2.192 0 1 EEAF O=c1cc(N2CCOCC2)nc2n(Cc3cccc(Cl)c3)ccn12 73310870 FQPKUBYUHINQBQ-UHFFFAOYSA-N 344.802 2.034 0 1 EEAF C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)o1)C(=O)O 144312457 DUCJOCFUUOTITC-QMMMGPOBSA-N 334.303 2.185 0 1 EEAF CCCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)CC1CC1 95894064 QKTNHYVGKCVTJX-ABSDTBQOSA-N 342.439 2.289 0 1 EEAF O=S(=O)(c1cccnc1)N1[C@H](CO)CC[C@@H]1c1ccc(F)cc1 653768385 WRUWPUSRYHZVSB-GOEBONIOSA-N 336.388 2.107 0 1 EEAF COc1cc2c(=O)nc(-c3ccc(CN)cc3)[nH]c2c(OC)c1OC 653819872 WGPXZZLCTQEBMV-UHFFFAOYSA-N 341.367 2.075 0 1 EEAF CNS(=O)(=O)c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587411427 ZTBIXCQHOKVCLZ-INIZCTEOSA-N 346.408 2.192 0 1 EEAF CCc1ccc([C@@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404430 QCZPTUAYENZUHX-LJQANCHMSA-N 327.380 2.311 0 1 EEAF COc1cc2c3c(c1)O[C@@H](C(C)(C)CN1CCN(C)CC1)[C@@H](C2)C3=O 587444460 QASODYDUJJPNJH-HNAYVOBHSA-N 344.455 2.085 0 1 EEAF NS(=O)(=O)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587175249 WNMGCFIXNFAVME-CQSZACIVSA-N 333.344 2.026 0 1 EEAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccnc3[nH]2)cc1 586941966 YTCWMTJNEQITAI-NTMALXAHSA-N 328.397 2.357 0 1 EEAF Cc1sc2c(c1C)CCN[C@]2(CN1CCNCC1)c1ccco1 963022602 KEEVMVMASUUCTI-GOSISDBHSA-N 331.485 2.252 0 1 EEAF CC[C@@H]1Cc2cc3c(cc2-c2cc(=O)c(C(=O)O)cn21)OCCO3 1857649511 VGKWVBSKQYKPBN-LLVKDONJSA-N 327.336 2.492 0 1 EEAF CCOC(=O)C1CCN(C(=S)NC2Cc3ccccc3C2)CC1 237723 HQZDCPXWRCOTNT-UHFFFAOYSA-N 332.469 2.303 0 1 EEAF Fc1ccccc1Cn1nnc2c(NCCc3ccccn3)ncnc21 1349191 XUTGFFRMDYVDOZ-UHFFFAOYSA-N 349.373 2.458 0 3 EEAF CC(=O)N1c2c(O)cccc2[C@]23CCN4CC[C@@H](C[C@@H]12)C1=CCO[C@]143 2356338963 FPEWLKWWYJYGBX-KORVSZGISA-N 338.407 2.147 0 1 EEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H](O)[C@@H]1[C@@H]3C[C@@H](C[C@H]12)OC3=O 100780935 OEIFXOHVCYVTGK-MMBCFQGSSA-N 346.379 2.223 0 1 EEAF endogenous,in-man COc1ccc(CN2[C@H]3C=C(C)[C@@H]([C@H]4C(=O)N(C)C(=O)[C@H]34)[C@H]2C)cc1 100264349 YMMQFFFORAWLFT-STLJJKNPSA-N 340.423 2.075 0 1 EEAF Nc1nc(O)c(Cc2nn3c(Cc4ccccc4)nnc3s2)s1 101273707 XFDHKLXZOHVBQC-UHFFFAOYSA-N 344.425 2.112 0 1 EEAF O[C@@H](CNCCOc1ccc(-c2ncco2)cc1)c1cccnc1 28959053 MAGKIDSRENBJSX-KRWDZBQOSA-N 325.368 2.439 0 1 EEAF CC=C1C[C@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@]2(CO)C(=O)OC 2356538509 GXDOWJPCBJLJMI-XOBRGWDASA-N 340.423 2.353 0 1 EEAF COC1=C[C@]2(CCC1=O)C[C@H]1c3c(cc(OC)c(O)c32)CCN1C 14618496 MHXSUTPVPBOLJW-BUXKBTBVSA-N 329.396 2.465 0 1 EEAF biogenic Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1NC1CCC(C)CC1 82203525 ZNPJTCVITUBTFX-HNFVBEJKSA-N 331.464 2.477 0 1 EEAF COC/C=C/c1ccc2c(c1)[C@@]1(COC(N)=N1)C1(COC1)C(C)(C)O2 220720729 INLZNNXNRQPRBS-PXPVJAHISA-N 344.411 2.074 0 1 EEAF CSCCNC(=O)[C@@H](Cc1ccc(O)c(Br)c1)N=O 49517826 UUNUNEUYZUZAFA-SNVBAGLBSA-N 347.234 2.311 0 1 EEAF C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 238753068 ZXRRDKJUFDKWBN-LXPIXPORSA-N 344.407 2.255 0 1 EEAF O=C(Nn1c(S)nc2ccc(F)cc2c1=O)c1cccc(F)c1 653780400 RBMZZXJJXHKCTI-UHFFFAOYSA-N 333.319 2.347 0 1 EEAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccnc(N)c3[nH]2)C(F)(F)C1 587131824 CYZDOHUEAROMCU-MRVPVSSYSA-N 339.346 2.510 0 1 EEAF N=C(N)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1 586969128 TVXFSPDTTMNLPD-UHFFFAOYSA-N 327.369 2.086 0 1 EEAF COC(=O)[C@@H]1COCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529995 AGHWTICXVDPEGK-HNAYVOBHSA-N 330.380 2.479 0 1 EEAF C[C@@H]1CC2(CC[C@]13NC[C@@H]1CC(=O)N(C)c4cccc3c41)OCCO2 963035694 STSWJUSGWYQXOK-CKNLXJGOSA-N 342.439 2.498 0 1 EEAF CC[C@H](C)[C@H]1C[C@H]([C@H](C)CC)C=C1[C@H](O)C[C@H](O)[C@H](O)C(=O)O 5922693 RKOUCPMGBBKLNK-CLHFDIGZSA-N 328.449 2.199 0 1 EEAF in-man CCC[C@@H](Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759712 FNEUIWSCQPBECN-GFCCVEGCSA-N 342.428 2.144 0 1 EEAF CC[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)nc2)n1 204408417 XAPORPGWETVAQS-LLVKDONJSA-N 326.322 2.418 0 1 EEAF COCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)c(C)c2)CC1 61927254 FZMWIJVNCOOFBG-CQSZACIVSA-N 336.407 2.139 0 3 EEAF C[C@]1(c2cccc(NC(=O)c3ncccc3F)c2)COCC(N)=N1 113655139 NSQDLDKQMKWWRH-QGZVFWFLSA-N 328.347 2.076 0 1 EEAF COc1ccc(N2C(=O)CN(Cc3cn(C)nc3C)CC2(C)C)cc1 67675176 QTEAZOYTFOQNID-UHFFFAOYSA-N 342.443 2.365 0 1 EEAF COC(=O)[C@@H]1CN(C(=O)CC(C)(C)C)CCN1C(=O)CC(C)(C)C 3838577 LFVSODKHXHCIEX-ZDUSSCGKSA-N 340.464 2.071 0 1 EEAF biogenic CS(=O)(=O)c1ccccc1C[C@@H](c1ccccc1)N1CCNCC1 36093247 QJMPSMDQYHMYSR-SFHVURJKSA-N 344.480 2.279 0 1 EEAF C[C@@H](O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1 14807706 HATNSSGJRODWED-SECBINFHSA-N 342.303 2.157 0 1 EEAF biogenic NC(=O)c1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3 141825043 KFIPFCPFCCVREU-UHFFFAOYSA-N 325.349 2.115 0 1 EEAF O=C1CCN1c1cc(Cc2nnc(O)c3c2NCCC3)ccc1F 84689758 BCIXIZPGKQODTC-UHFFFAOYSA-N 328.347 2.007 0 1 EEAF CC(C)c1ccc(N2C(=O)N[C@@H]3CCN(C(=O)C4CC4)[C@H]3C2=O)cc1 25410482 RUUSGCXOAXUTEX-HZPDHXFCSA-N 341.411 2.246 0 1 EEAF biogenic CCOC(=O)C1=C[C@@H](c2cc3c4c(cccc4n2)CC3)C(=O)N(C)C1=N 587211944 JKDAVUFGFFYASL-ZDUSSCGKSA-N 349.390 2.356 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(O)c2c[nH]nc2n1 587872297 JVWDTAPCEFOVCA-UHFFFAOYSA-N 340.318 2.449 0 1 EEAF COc1cc(OC)c(CN[C@@H](Cc2ccccc2)C(=O)O)c(OC)c1 1772616412 VYLGNGIZZGYYLQ-INIZCTEOSA-N 345.395 2.498 0 1 EEAF CC1(c2cccc3c2[C@@]2(O)C=CC4(CC[C@@H]32)OCCO4)OCCO1 5741804 IGRXYKWVMNRJMH-IFXJQAMLSA-N 330.380 2.284 0 1 EEAF CCc1ccccc1OC(=O)c1ccc2c(c1)S(=O)(=O)NCN2C 169328564 QCJMRRWLNUYCGU-UHFFFAOYSA-N 346.408 2.154 0 1 EEAF CCn1c(/C=C/c2cccc(Cl)c2)nc2c1c(=O)n(C)c(=O)n2C 169699042 KVVVWCZIXCAEIX-CMDGGOBGSA-N 344.802 2.277 0 1 EEAF COc1cc(-c2ccc(C(=O)N3CCOCC3)s2)cc(C=O)c1O 169699687 SCYFJTZMGDXVTR-UHFFFAOYSA-N 347.392 2.414 0 1 EEAF O=C(O)C[C@@](O)(CSCCCCCCc1ccncc1)C(=O)O 27183800 DNLZBNOFWQKBDH-MRXNPFEDSA-N 341.429 2.208 0 1 EEAF COc1ccc2[nH]c([S@@](=O)Cc3nccc(N(C)C)c3F)nc2c1 4626773 GAHAXUJHLNBMRS-XMMPIXPASA-N 348.403 2.479 0 1 EEAF CS(=O)(=O)Nc1ccc(N/C=C2/C(=O)Nc3ccccc32)cc1 102901850 UGKCASUMDGHTLI-GXDHUFHOSA-N 329.381 2.463 0 1 EEAF Cc1cc(NC(=O)c2ccc3cc4n(c3n2)[C@@H](C)[C@@H](C)NC4=O)no1 117705020 UJUORBDBVOLWSF-ZJUUUORDSA-N 339.355 2.278 0 1 EEAF O=C(O)c1ccc(-c2ccc3ncnc(N4CCOCC4)c3c2)o1 66166873 CIYIASYNAIZIPO-UHFFFAOYSA-N 325.324 2.425 0 1 EEAF COc1ncc(Nc2ncccc2-c2nc(C)nc3[nH]cnc23)cn1 113150933 PWOIIPWGSDSNOA-UHFFFAOYSA-N 334.343 2.266 0 1 EEAF CCOC(=O)[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)C[C@@H](C)C(=O)O 28264178 FYGXHTCBEFEFEV-YWPYICTPSA-N 333.384 2.254 0 1 EEAF CC1=C[C@H](O)[C@H](O)[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)O)[C@H]2[C@H](O)C1 2356603818 LDJDRVCYABHRAX-NDVBTGRQSA-N 338.488 2.415 0 1 EEAF COc1cc(C(=O)N[C]2C=C(C)NC(C)=C2O)cc(OC)c1OC 2356853218 KXGCGBIREZQEDP-UHFFFAOYSA-N 333.364 2.271 0 1 EEAF COC(=O)c1c(Cc2ccccc2)n(O)c2ccc(OC)cc2[n+]1=O 137261540 QJCWUIJCPVHROM-UHFFFAOYSA-N 341.343 2.179 0 1 EEAF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82080896 YTKFTJIBKSKMCF-LBPRGKRZSA-N 341.392 2.230 0 1 EEAF CCCc1cc(N2CCCC[C@@H](N)C2)nc2sc(C(N)=O)c(N)c12 45245407 FMYBCSRZCAQSDT-LLVKDONJSA-N 347.488 2.248 0 1 EEAF CCN(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 149344728 AXIAMKNULPHGQG-AWEZNQCLSA-N 346.452 2.437 0 1 EEAF Cn1cc(-c2cnc3nnn(Cc4cc5cnccc5s4)c3n2)cn1 149916261 NUQQUEASPDIYAN-UHFFFAOYSA-N 348.395 2.280 0 1 EEAF CN1CCN(Cc2ccc(Cl)cc2Cl)C[C@H]1C1=NCCN1 253641785 SZWREMOBIUBYDP-AWEZNQCLSA-N 327.259 2.111 0 1 EEAF Cc1ncc(-c2ccnc(N3CCN(C)CC3)n2)c(-c2cccnc2)n1 299849898 KIALHSHFSAMAKP-UHFFFAOYSA-N 347.426 2.056 0 1 EEAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(N)ncc3[nH]2)c1 586929867 BSYYNWYYKULYBA-UHFFFAOYSA-N 345.428 2.238 0 1 EEAF CC(C)c1nn(C)c2c1[C@](C)(c1cnc3sccn3c1=O)NCC2 962917056 KMBGYVUOBPCHEC-KRWDZBQOSA-N 343.456 2.022 0 1 EEAF O=C1c2ccccc2CN1c1cccc(-c2nncn2C[C@H]2CCO2)n1 1772605043 CKJGUCDHDJGQAC-CQSZACIVSA-N 347.378 2.289 0 1 EEAF CCCCC[C@@H](O)[C@@H](O)C[C@@H](O)[C@@H](O)CCCCCCCC(=O)O 14761459 VJOGZGLNDROOFS-LTIDMASMSA-N 348.480 2.216 0 1 EEAF CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@@H]13)O2 150338659 RIQQBAOFMYKBQJ-SZOQZIPDSA-N 333.771 2.190 0 1 EEAF Cn1cnc(S(=O)(=O)N2CCC(c3noc4ccccc34)CC2)c1 206032095 AGFMZMYEKZDXOD-UHFFFAOYSA-N 346.412 2.130 0 3 EEAF CCc1nn(-c2cc(Oc3ccc(C)cc3)ncn2)c(N)c1C(N)=O 384991 WANPREHAGBZAKI-UHFFFAOYSA-N 338.371 2.007 0 1 EEAF C[C@]12CC[C@@H](O)[C@@]3(C)C(=O)O[C@@H](C=C4[C@H]1CC[C@]1(C)CC(=O)O[C@@H]41)[C@@H]23 2356381631 UCWXMZOVKYMIMO-KAMPRUTNSA-N 346.423 2.367 0 1 EEAF O=C(O)c1ccccc1NCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 100082661 TWRXIBCJDHRIIO-JQWIXIFHSA-N 334.759 2.272 0 3 EEAF Cc1ccc(-n2nnnc2-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1 103262760 GVYPZNRMXFBYJN-UHFFFAOYSA-N 340.364 2.331 0 1 EEAF O=C(O)Cc1ccc2c(c1)C[C@@H](CNS(=O)(=O)c1ccccc1)C2 27325479 IOVKLLOBQBHETL-AWEZNQCLSA-N 345.420 2.007 0 1 EEAF Cc1n[nH]c2sc(C(N)=O)c(NC(=O)COc3ccccc3)c12 28565173 CAVFEAKOYPWCSA-UHFFFAOYSA-N 330.369 2.049 0 1 EEAF COCC(=O)N1CC[C@H](CC(=O)O)[C@@H](CCN(C)c2ccccc2)C1 2356874965 ZXQUSLVUWKUZFI-CVEARBPZSA-N 348.443 2.099 0 1 EEAF CO[C@@H]1Cc2c(cnn2C)C2(CCN(Cc3ccccc3)CC2)O1 72116877 QHMYMCFFVCWDKG-SFHVURJKSA-N 327.428 2.457 0 1 EEAF CCOC(=O)CCn1nc(-c2ccccc2)c2onc(C)c2c1=O 35080196 JHJLUQTVVORNFF-UHFFFAOYSA-N 327.340 2.313 0 1 EEAF COC1CCN(c2nccc(Nc3cc4nc[nH]c4cn3)n2)CC1 222736553 VOVOJNOXHDWRNB-UHFFFAOYSA-N 325.376 2.107 0 1 EEAF COCCN1C(=O)CSC[C@@]1(C)C(=O)Nc1c(C)cccc1C 199231757 ZAVKHLXDRRSUTM-KRWDZBQOSA-N 336.457 2.222 0 3 EEAF CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1ncccc1C)CS2 85473881 SLRYZDOHJGMJAZ-LBPRGKRZSA-N 344.440 2.178 0 1 EEAF NC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccc(Cl)c(F)c1 299851490 CVRBBHQNQNVZFM-INIZCTEOSA-N 334.782 2.246 0 1 EEAF CN(C)CCOc1ccc2nc(-c3cccc(N)c3C(=O)O)[nH]c2c1 587248475 QPYDUBIFDAFHKC-UHFFFAOYSA-N 340.383 2.451 0 1 EEAF COc1ccc(C=O)c(-c2nc3cc(C(N)=O)ccc3[nH]2)c1OC 587787293 UVCKECMJFQPCLM-UHFFFAOYSA-N 325.324 2.159 0 1 EEAF COc1cccc(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 587930496 HAYRQHRHHNMKLF-UHFFFAOYSA-N 345.424 2.413 0 1 EEAF O=C(NCCc1nc2c(Cl)ncnc2[nH]1)OCc1ccccc1 587228275 LWMSPLHRWHXXQT-UHFFFAOYSA-N 331.763 2.475 0 1 EEAF Cn1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)cn1 587275980 IFFHCUQXZGIUPG-UHFFFAOYSA-N 336.145 2.047 0 1 EEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc3cn[nH]c3cc2[nH]1 586950741 BXJKXBXSIQURTK-UHFFFAOYSA-N 348.413 2.243 0 1 EEAF NS(=O)(=O)c1ccc(F)c(-c2nc3cncc(Cl)c3[nH]2)c1 587142335 VRCGIBLRHRNFDA-UHFFFAOYSA-N 326.740 2.065 0 1 EEAF C[C@@H](C(=O)O)n1cccc1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963030367 NMIJRLJBWDGWDY-PZROIBLQSA-N 339.395 2.276 0 1 EEAF COc1cc(CC[C@@H]2CCc3nc(N)nc(N)c32)cc(OC)c1OC 5888677 VXEQKXPGFLRRTI-LLVKDONJSA-N 344.415 2.329 0 1 EEAF COC(=O)c1cc(C)ccc1CCCn1cnc2c1NC=NC[C@@H]2O 13807700 ICBVMQDRWPSXIR-HNNXBMFYSA-N 342.399 2.098 0 1 EEAF O=C1CC=C2[C@H]3C[C@@H]4N(CC[C@@]45c4ccccc4N1[C@@H]25)C[C@H]3CCO 14681394 MNDSMOZRDTXEHY-GILOPPEBSA-N 336.435 2.076 0 1 EEAF CC(C)[C@H]1C[C@H](O)[C@]2(C)C[C@H]3[C@@H]([C@H](O)C[C@H]3CO)[C@@](C)(O)CC=C12 1857649211 KRGUNUMKPQQOQA-QJCLMESOSA-N 338.488 2.106 0 1 EEAF O=C(COc1ccc(Cl)cc1)Nc1nnc(C2=COCCO2)o1 4107234 ZFGAHJBFQSUVMQ-UHFFFAOYSA-N 337.719 2.086 0 3 EEAF CNC(=O)N(C)[C@H]1c2cc(C(=O)OC)ccc2Oc2ncccc21 28012475 GAMAVEASBUINKZ-CQSZACIVSA-N 327.340 2.335 0 1 EEAF CN1C[C@H](Cn2cc(O)[nH]c2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 101402859 VCFIBWJEAKOUJM-DJSGYFEHSA-N 338.411 2.024 0 1 EEAF COC(=O)[C@]1(C)[C@@H]2CC[C@]3(C)c4ccccc4[C@](C(=O)OC)(O2)[C@@H]31 2356698602 DYMXMMCLVZEEAF-JCTKKGROSA-N 330.380 2.314 0 1 EEAF Cc1ccc2nc(CO[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]3F)[nH]c2c1 2356746665 KMVJMWJMRGSAET-WMLDXEAASA-N 343.406 2.344 0 1 EEAF COc1c(O)cc(-c2cc(=O)c3c(O)cc(O)c(OC)c3o2)cc1O 14437197 YIPCOVVKECYGMS-UHFFFAOYSA-N 346.291 2.300 0 1 EEAF biogenic C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586962675 UONITQAUAATKBC-RXMQYKEDSA-N 349.347 2.331 0 1 EEAF OCC(CO)OCn1c(Cl)nc2c(Cl)cc(Cl)cc21 5932745 XIIRFXMZEJHKOB-UHFFFAOYSA-N 325.579 2.324 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccc(Cl)cc1 13154347 USPKYYZDABFFSZ-DEPYFDJDSA-N 342.782 2.038 0 1 EEAF CN(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(F)cc2Cl)C1 2943347 NGOOQJWHTUDSGT-GFCCVEGCSA-N 341.814 2.489 0 3 EEAF CCOC(=O)[C@H](NC(=O)C(=O)c1c[nH]c2ccc(OC)cc12)C(C)C 27556448 RFSNXVJEPPHZQX-OAHLLOKOSA-N 346.383 2.063 0 1 EEAF COC(=O)Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(C)co1 28524059 CEWLEYNEAOYEKV-UHFFFAOYSA-N 344.776 2.153 0 1 EEAF O=c1[nH]c2nonc2nc1Nc1ccc(OC(F)(F)F)cc1F 1911571001 DFFPSPYTLJNISG-UHFFFAOYSA-N 331.185 2.087 0 1 EEAF COc1cc2ncnc(-n3ncc(-c4ccccn4)n3)c2cc1OC 653689444 SYUGQLDZWVISQS-UHFFFAOYSA-N 334.339 2.290 0 1 EEAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(CCO)cc3[nH]2)c1 586922568 WLGLRTKPNMDARF-UHFFFAOYSA-N 344.436 2.482 0 1 EEAF CCOC(=O)C[C@]1([C@@H]2CCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455987 RRRVKLZSXSWNHE-WTANOLMUSA-N 346.379 2.314 0 1 EEAF O=C(O)C1=C[C@@]2(C=CO1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962761215 HCSDHDSRMVUAJT-XHDPSFHLSA-N 339.269 2.040 0 1 EEAF O=C1N[C@H](C(=O)NCc2ccc(F)cc2)Cn2c1cc1ccccc12 1772600082 KEJQQRWOIHRSNX-HNNXBMFYSA-N 337.354 2.209 0 1 EEAF CC(C)CC(=O)c1c(O)cc(O)cc1OC[C@H](O)CNC(C)C 1772573527 RYMCJTLTKNWKQI-CYBMUJFWSA-N 325.405 2.064 0 1 EEAF CCN1CCC[C@@H]1CNC(=O)Cn1cccc1C(=O)c1ccccc1 4111054 HQEWDVJLNHYNEU-QGZVFWFLSA-N 339.439 2.320 0 3 EEAF COc1ccc(CCC(=O)Oc2ccc3c(c2)C(=O)N(C)C3=O)cc1 53314220 CCIZMHSDGDVYDN-UHFFFAOYSA-N 339.347 2.459 0 1 EEAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc2[nH]nnc2c1 100028545 ALROTSWWLJVSQV-XERWBJCMSA-N 342.355 2.379 0 1 EEAF CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cccc(OC)c1OC 101873559 BTRMJSCMTQSDMB-MLJWKTOOSA-N 345.359 2.192 0 1 EEAF COc1cc([C@H]2Oc3cc(C=O)cc(OC)c3O[C@@H]2CO)ccc1O 26647530 VWSIKPBSEBLQSE-IAGOWNOFSA-N 346.335 2.095 0 1 EEAF C[C@H]1OC2(CCN(CCc3c[nH]c4ccccc34)CC2)CNC1=O 27902793 TWXMNMCWVZGJOB-CQSZACIVSA-N 327.428 2.080 0 1 EEAF Cc1c(C=C[C@H](O)C[C@H](O)CC(=O)O)ccc2c1[C@H](O)C[C@H](C)C2 2356703075 KYDBWGRCKWMGOO-PWBULWKKSA-N 334.412 2.211 0 1 EEAF COC(=O)CCN1Cc2cc(OC)c(OC)cc2C2(CCOCC2)C1 517726 OGWCBRZIBAPQIS-UHFFFAOYSA-N 349.427 2.131 0 1 EEAF biogenic Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]12 74377057 JAHICCTVJSVROO-DLBZAZTESA-N 342.420 2.419 0 3 EEAF COc1cccc(OC)c1-c1cnnc(NCc2cc(C)n(C)n2)n1 95581174 IRBMSCQMXVRPDB-UHFFFAOYSA-N 340.387 2.210 0 1 EEAF CCCC[C@H](OC(=O)CN1CCN(C)CC1)c1ccccc1C(=O)O 95585198 RTYRCZGJXXMOHU-KRWDZBQOSA-N 348.443 2.407 0 1 EEAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Cl)cnc3[nH]2)c1 587141954 GDCZEYZJZKCYQC-UHFFFAOYSA-N 326.740 2.065 0 1 EEAF CC(C)(C)OC(=O)NC[C@H]1CCC[C@@]12N[C@H]1Cc3c2ccnc3C1=O 963289699 QXTZCYZLFDPPIP-CILWKZBWSA-N 343.427 2.312 0 1 EEAF CS(=O)(=O)c1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1 146888774 HONRHPVMYYIRBL-UHFFFAOYSA-N 343.364 2.036 0 1 EEAF O=C1N[C@@H]2ON=C(c3ccccc3)[C@H]2[C@H]2ON=C(c3ccccc3)N12 5923889 IHTIDIABGVBCOA-KBRIMQKVSA-N 334.335 2.107 0 1 EEAF Cc1c2c(n(Cc3ccco3)c1C)N=CN1C=CS(=O)(=O)N[C@H]21 169693180 IGBLRZRTKVICEZ-HNNXBMFYSA-N 332.385 2.124 0 1 EEAF CCOC(=O)[C@@]1(Cc2c[nH]c3ccccc23)[C@@H](O)CCCN1C(C)=O 1858574 PBCTUFWZRPYFQI-PKOBYXMFSA-N 344.411 2.016 0 1 EEAF CCC[S@@](=O)c1ccccc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 29395570 IIXTUMXJUZWKCR-QHCPKHFHSA-N 330.413 2.150 0 1 EEAF COCCN1CCn2cc(C(=O)O[C@H](C)C(C)(C)C)c(C)c2C1=O 28569668 PTOXHVBQNRVWOV-CYBMUJFWSA-N 336.432 2.490 0 1 EEAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cc(=O)n(C)c3ccccc13)C2 100643301 ZGUGXTYWGBQHSU-STQMWFEESA-N 326.396 2.321 0 1 EEAF C[C@@H](c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCNCC1 26293784 WBQUFHUILUVRPB-HNNXBMFYSA-N 330.453 2.486 0 1 EEAF O=C1C[C@H]2O[C@@H]3C=C[C@H](O)[C@H]1[C@H]3C21Oc2cccc3cccc(c23)O1 2356670946 ITJMKILNODXZIW-XLQOQZPVSA-N 336.343 2.211 0 1 EEAF CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2ccncc21 34646211 SFRASGAFGHWONU-UHFFFAOYSA-N 329.425 2.431 0 1 EEAF COCc1cc([C@@H](O)CN[C@@H](C)Cc2ccc(O)cc2)ccc1O 39238206 HPLAQRGSSDBWBB-DJJJIMSYSA-N 331.412 2.498 0 1 EEAF COCc1cc([C@@H](O)CN[C@H](C)Cc2ccc(O)cc2)ccc1O 39238207 HPLAQRGSSDBWBB-YJYMSZOUSA-N 331.412 2.498 0 1 EEAF CC(C)C[C@]1(C)OC(=O)c2c1ccn(CCCN1CCOCC1)c2=O 96909301 HNHQBSJVFDADED-IBGZPJMESA-N 348.443 2.002 0 1 EEAF Oc1nc(O)c2ccc([C@@H]3CN(Cc4ccccc4)CCO3)nc2n1 587559510 YYLCMFPWQVRINX-HNNXBMFYSA-N 338.367 2.010 0 1 EEAF Cn1cc(C(=O)O)c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)n1 587875384 KDRMYHCNPRLTMM-UHFFFAOYSA-N 328.259 1.915 0 1 EEAF O=S(=O)(c1ccc(Cl)c(-c2nc3cncnc3[nH]2)c1)N1CCC1 586954618 DSEPVOQJCIGFHD-UHFFFAOYSA-N 349.803 2.068 0 1 EEAF C[C@]1([C@@H](O)CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357267 UBVWQDFUUHDEHV-LZLYRXPVSA-N 332.327 2.002 0 1 EEAF COc1ccc2c(c1OC)[C@](c1cccs1)(C(O)O)N(C)[C@H](C)C2 962632539 UGVPAYKFQFCMRJ-ADLMAVQZSA-N 349.452 2.196 0 1 EEAF Cc1c(O)ccc2c1[C@@](C)(c1cccc3[nH]ncc13)N[C@H](C(=O)O)C2 963522743 GRVCMPPKELWBJP-HNAYVOBHSA-N 337.379 2.439 0 1 EEAF CC[C@]12CCCN(CC[C@]3(O)C(=O)Nc4ccccc43)[C@H]1OCC2 1772605893 FQCHUCFOOQKMIL-IPMKNSEASA-N 330.428 2.455 0 1 EEAF c1cncc(CN2CCC[C@H](c3nnn4cnc5[nH]ccc5c34)C2)c1 1772607121 OEOXCKAQZITEAK-AWEZNQCLSA-N 333.399 2.380 0 1 EEAF COc1ccc2oc(=O)cc([C@@H]3CC(=O)Oc4n[nH]c(C)c43)c2c1 1772650997 NPEHWGAYXZXALP-LBPRGKRZSA-N 326.308 2.274 0 1 EEAF O=C1CC[C@](CCC(=O)N2CCSCC2)(Cc2cccs2)N1 12283101 VQQUGWDPJQNXKD-INIZCTEOSA-N 338.498 2.295 0 1 EEAF C[C@@]1(C(=O)N[C@@H](CO)Cc2ccccc2)CON=C1c1ccccc1 234310 JIFLODGGPQCBGP-YLJYHZDGSA-N 338.407 2.147 0 1 EEAF O=c1[nH]c2nonc2[nH]c1=Nc1ccc(OCc2ccccc2)cc1 1911583215 JYMYXGMQGBYTOH-UHFFFAOYSA-N 335.323 2.051 0 1 EEAF COc1ccc(-c2cc(C[C@@H]3CC[C@@H](O)[C@@H](CN(C)C)O3)no2)cc1 2356363642 KZNHTOQYOQIHHB-YQVWRLOYSA-N 346.427 2.363 0 1 EEAF Cc1ccc(NC[C@@H](O)Cn2nnnc2-c2ccccc2)cc1F 6822692 UFBGRFGVDXFFIX-OAHLLOKOSA-N 327.363 2.261 0 1 EEAF COc1cc(C)nc2c(OC)cc(Cc3cnc(N)nc3N)cc12 29561284 LLBXUDUWEWTJRQ-UHFFFAOYSA-N 325.372 2.106 0 1 EEAF CN1C(=O)NC[C@H]1C(=O)NCc1c(Cl)cc(Cl)cc1Cl 95565597 UTRIUQLIHNBFHH-JTQLQIEISA-N 336.606 2.287 0 1 EEAF CN1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 95875505 IONGPUPOKVRUOO-ARFHVFGLSA-N 339.277 2.303 0 1 EEAF CN1[C@H](C(=O)NCc2ccco2)C[C@@H]2Cn3c(nc4ccccc43)[C@H]21 253986700 BONJMOFQSPXJNS-DQYPLSBCSA-N 336.395 2.321 0 3 EEAF Cc1ncc(-c2ccnc(N3CCC[C@@H]3CO)n2)c(-c2cccnc2)n1 299850283 XXQZEMLDQQKYLA-OAHLLOKOSA-N 348.410 2.265 0 1 EEAF COC(=O)c1ccc(-n2c(O)ccc2OC)c(O[C@H]2CCOC2)c1 587924790 JAINYGKGJZPTFI-LBPRGKRZSA-N 333.340 2.146 0 1 EEAF C[C@@]1(CN2C(=O)CCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587517764 URXBUCQIWRNZLS-IBGZPJMESA-N 327.380 2.438 0 1 EEAF C=C(C(=O)O)c1cc(O)n(-c2cccc(Br)c2N)c1O 587937509 SYCLTEHFMSKSGN-UHFFFAOYSA-N 339.145 2.331 0 1 EEAF COc1cc(C)cc([C@]2(O)OC(=O)c3c(OC)cc(O)cc32)c1OC 2356335001 RMNOGZNNJGVWOO-GOSISDBHSA-N 346.335 2.090 0 1 EEAF COC(=O)c1nc(C(=O)OC)c2c([nH]c3ccccc32)c1C(=O)OC 1613931 CWXLQYICMQJSEO-UHFFFAOYSA-N 342.307 2.076 0 1 EEAF CNC(=O)[C@H]1CCC[C@@H]1n1cnc2c(NC3CCCC3)ncnc21 29132520 GCHUIWVKXAQACX-STQMWFEESA-N 328.420 2.268 0 1 EEAF CN(C)CCC1=CN2[C@H]3C1=CC=C[C@@H]3c1ccccc1S2(=O)=O 36093376 GKINOYVCIYGDGT-AEFFLSMTSA-N 328.437 2.489 0 1 EEAF CCn1ncnc1[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1 142081714 MURHHZRPMVGORG-NWDGAFQWSA-N 345.407 2.242 0 1 EEAF CNS(=O)(=O)/C=C/c1ccccc1CCNC(=O)OC(C)(C)C 96019099 UXQBVZWDQNCXNI-ZRDIBKRKSA-N 340.445 2.274 0 3 EEAF COc1cc2cc(C(=O)NCCc3ccccc3)c(=O)oc2cc1O 299833538 PUUCYVMWZXUSLY-UHFFFAOYSA-N 339.347 2.480 0 1 EEAF COc1cc2ncnc(-n3nc(-c4ccccn4)cc3N)c2cc1OC 653689385 DARPZQABOOMYQH-UHFFFAOYSA-N 348.366 2.477 0 1 EEAF COc1ccc2c(c1)[C@H](CC(=O)O)c1cc3c(O)nc(O)nc3nc1-2 587561727 VNJNUEMVVRAUAD-JTQLQIEISA-N 339.307 2.032 0 1 EEAF CC1=C(c2ccc3nc([C@H]4CC(=O)OC4(C)C)[nH]c3c2)NNC(=O)C1 586911231 QUDGVAKKDKPUNI-LLVKDONJSA-N 340.383 2.128 0 1 EEAF Fc1cnc2[nH]c(-c3nccnc3I)nc2c1 587186875 XSFGBPKGRJWDPY-UHFFFAOYSA-N 341.087 2.159 0 1 EEAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(O)nc(O)nc2[nH]1 587114912 ZHCDOBOHDYMEHL-QMMMGPOBSA-N 339.277 2.025 0 1 EEAF C[C@@H](CCO)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1 1772599339 PZJKDONUMPDHJJ-ZDUSSCGKSA-N 349.394 2.444 0 1 EEAF COc1ccc([C@H]2c3c(C)n[nH]c3C[C@](C)(O)[C@@H]2C(C)=O)cc1OC 13837323 MBIMTDRCHGLGLC-OTWHNJEPSA-N 344.411 2.380 0 1 EEAF O=C(O)c1cc(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2[nH]1 169314529 BUAZBECRTLMBDR-UHFFFAOYSA-N 329.333 2.059 0 1 EEAF c1cc(N2CCOCC2)ccc1Nc1c2c(nc3nncn13)CCC2 6742969 APCRJKZHOHQXGK-UHFFFAOYSA-N 336.399 2.193 0 1 EEAF O=C1CN2Cc3c(sc4c3CN(Cc3ccccc3)CC4)NC2=N1 27216584 SGJXGQDKGIAHEG-UHFFFAOYSA-N 338.436 2.430 0 1 EEAF CCN1CC(C)(C)OC(=O)[C@@H]1CC(=O)NCc1ccccc1Cl 117771081 CBWWXSMUYNFBHU-AWEZNQCLSA-N 338.835 2.372 0 1 EEAF N=C(N)Nc1cccc(C(=O)Nc2ccc(CCC(=O)O)cc2)c1 29245774 SXKPJFQIMPWWBP-UHFFFAOYSA-N 326.356 2.261 0 1 EEAF CCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(OC(F)F)cc2)C1 61905708 JVJSJRCQGUJJFJ-INIZCTEOSA-N 326.343 2.276 0 3 EEAF O=C(Nc1ccccc1)[C@@H]1O[C@H](CCN2CCCCC2)CC[C@@H]1O 2356817494 DLSRLAIABBDOFB-OKZBNKHCSA-N 332.444 2.410 0 1 EEAF N[C@@H]1CCN2C(=O)c3cc(C=Cc4ccccc4)ccc3NC(=O)[C@H]12 2356845320 ODNCENVLRHYENE-AEFFLSMTSA-N 333.391 2.351 0 1 EEAF CC1(C)N=C(N)N=C(NCCCSc2ccc(Cl)cc2)N1 71294478 PMTUJZBVGZFVAI-UHFFFAOYSA-N 325.869 2.422 0 1 EEAF COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)O[C@@H](C)C=C2 39316052 YXVYIKAJJZFIQN-VIFPVBQESA-N 328.372 2.043 0 1 EEAF CC[C@@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(C(C)C)c2=O)N1 82224328 PJYUVCQPLVZKCD-CYBMUJFWSA-N 344.415 2.113 0 1 EEAF C/C=C1\CN2CC[C@]34C(=O)c5ccccc5N3[C@H](C(=O)OC)[C@H]1C[C@H]24 238734482 PPYARVBMTFPVQA-MAKDCJDASA-N 338.407 2.024 0 1 EEAF Cc1ccc(CN2CC[C@H]3[C@@H](CN4CCN(C)CC4)OC[C@H]3C2)s1 299843103 MIFOXHFGCIWSFU-BHIYHBOVSA-N 349.544 2.141 0 1 EEAF C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2C[C@@H]1O 299829270 RHKZDVNMLMFSCO-SVNMQMHNSA-N 349.471 2.279 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N)nc2)N1 587742805 BAEMYDSSZKKWCM-UHLUBPPHSA-N 337.196 2.584 0 1 EEAF COc1nccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 587033820 BKSWHZBJGVBHBP-UHFFFAOYSA-N 328.397 2.447 0 1 EEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(CO)cc2[nH]1 587223726 FCUIPIAXCOUDBY-GFCCVEGCSA-N 325.368 2.139 0 1 EEAF Oc1nc2cc3nc(-c4cnc5ncnn5c4C(F)F)[nH]c3cc2[nH]1 587128407 MUFHAJNVUDUDFJ-UHFFFAOYSA-N 342.269 2.187 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1N(C)C)[C@@H](C2)C3=O 587431378 KFLGPSZEPXSSEK-SJCJKPOMSA-N 327.384 2.292 0 1 EEAF Cc1cc(Br)cc2nc(CCS(=O)(=O)N(C)C)[nH]c12 586929773 AEBXCCBMNDZNIL-UHFFFAOYSA-N 346.250 2.068 0 1 EEAF Nc1c(Cl)cc(C(=O)NCCCN2CCCCC2)c2c1CCO2 1893445 GCMVERBHWCIKRR-UHFFFAOYSA-N 337.851 2.463 0 1 EEAF Nc1nc(NCc2ccncc2)nc2c1nc(O)n2Cc1ccccc1 28571413 MBMUNSSAUJTGQU-UHFFFAOYSA-N 347.382 2.170 0 1 EEAF COc1cc2c(cc1OC)[C@]13C[C@H](OC)CCC1=CCN3C[C@H]2O 2356307733 OKOWTOMZIDGJAC-NRXGSXMXSA-N 331.412 2.387 0 1 EEAF C[C@@H](CCc1ccccc1F)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27737369 ZTRARVFFWOIXTC-KPZWWZAWSA-N 346.402 2.275 0 1 EEAF COc1ccccc1CN1CC[C@H](CO)N(C)c2cccnc2C1 2356723328 FCTSLMBSVZCKQV-MRXNPFEDSA-N 327.428 2.293 0 1 EEAF C[C@@H]1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)C[C@H](O)C[C@]4(C)[C@H]2CC[C@H]1[C@H]3O 503897979 WIGBRVUOWQUTIV-RYGNGOMZSA-N 336.472 2.147 0 1 EEAF biogenic Cc1cnc(N2CCC(C(N)=O)CC2)nc1NC1CCC(C)CC1 82203456 CWLKGVFUBPAIJK-UHFFFAOYSA-N 331.464 2.477 0 1 EEAF C[C@H](C(=O)O)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 238769116 WYMRLQWRNAUXEL-ARLBYUKCSA-N 347.411 2.326 0 1 EEAF C[C@@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 95911663 PJBYEAHTNJECTC-WUZIIDQWSA-N 334.456 2.355 0 1 EEAF biogenic,in-vitro O=C1C[C@H](O)[C@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@H]12 253683487 GREJPBKWGASYSC-OWLYRPNTSA-N 332.396 2.350 0 1 EEAF O=C(NC1CCCCC1)C1=C(O)C[C@H](Cc2ccccc2)NC1=O 100076042 PZQPGUWMEFYIJY-HNNXBMFYSA-N 328.412 2.379 0 1 EEAF CCS(=O)(=O)NCCCc1nc2cc(OC)c(Cl)cc2[nH]1 586943137 WNFFIMHFUYQVLG-UHFFFAOYSA-N 331.825 2.097 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CC(=O)N(C)C1 587872049 HRVGMXNVAPEBNO-LBPRGKRZSA-N 331.347 2.206 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)NC[C@H]2C)N1 587791633 GQQQYLZTUVCULL-KEMUVXCRSA-N 341.224 2.474 0 1 EEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)ncc2[nH]1 586943852 ANBUENYIAHJWPZ-UHFFFAOYSA-N 340.792 2.229 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H](O)[C@@H](C1)N2C 587489331 USOHRPJOUSHZDJ-MKQDBYMYSA-N 331.412 2.276 0 1 EEAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc3c(cc2[nH]1)OCCO3 587092772 APUXQVTWCIWGNV-ZETCQYMHSA-N 329.278 2.464 0 1 EEAF CCOC(=O)c1nn(C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587391199 LMFGFPXMNSIKMB-CQSZACIVSA-N 329.356 2.194 0 1 EEAF COc1ccc2oc(=O)cc([C@@H](CC(=O)O)c3c(O)n[nH]c3C)c2c1 1772640939 JISTTXXBXZMHAA-GFCCVEGCSA-N 344.323 2.145 0 1 EEAF CS(=O)(=O)N1CCC[C@@H]2CN3CCc4ccc(F)cc4[C@@H]3C[C@@H]21 13820258 BPMOEVALFYJLOS-COXVUDFISA-N 338.448 2.169 0 1 EEAF C[C@@H]1C[C@H](NC(=O)c2c(O)n3ccccc3nc2=O)CC(C)(C)C1 16689973 OSRXXFRCXMOMHX-NEPJUHHUSA-N 329.400 2.345 0 3 EEAF CN1C(=O)C(NCc2cccnc2)=C(c2cn(C)c3ccccc23)C1=O 1857610182 SDUWUVADCXNNCL-UHFFFAOYSA-N 346.390 2.073 0 1 EEAF CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2ccco2)CC12CC2 1857656745 CUDWPBVJWSJYCS-AWEZNQCLSA-N 337.383 2.292 0 1 EEAF NS(=O)(=O)c1ccc(C2=NCCN2c2ccc(Cl)cc2)cc1 1857747031 YUNRIGMGNUAEQV-UHFFFAOYSA-N 335.816 2.254 0 1 EEAF O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1ccccc1C2)NC(F)(F)F 101028298 GGRCSBNLFLDXPJ-ITGUQSILSA-N 334.363 2.124 0 1 EEAF CCOC(=O)C[C@@H](C)n1cc(C(=O)OC)c(CC)c1CC(=O)OC 28465851 VPESLDJAOYOCNZ-LLVKDONJSA-N 339.388 2.067 0 1 EEAF C/C=C/CC(=O)NCCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26497426 ZGEWWADWDDABCX-HSWBROFVSA-N 348.424 2.042 0 1 EEAF CC(C)NC[C@H](O)c1ccc(O)c(C(=O)NCc2ccccc2)c1 27742962 HYMSNGDBNBOEKH-SFHVURJKSA-N 328.412 2.354 0 1 EEAF Cc1cccc(OCC2(CNCC3CCCC3)C[C@H](O)[C@@H](O)C2)n1 2356579330 YJZANMHKVGEYMO-IRXDYDNUSA-N 334.460 2.051 0 1 EEAF CCC(C)(C)[C@@H]1CCc2n[nH]c(C(=O)NCCN3CCOCC3)c2C1 36387443 IWROADFZVPLNBU-CQSZACIVSA-N 348.491 2.013 0 3 EEAF CCOC(=O)C1=C(O)[C@H]2[C@H]3C(O)=C(C(=O)OCC)[C@H]4[C@H]1[C@@H]1[C@@H]2C[C@@H]3[C@@H]41 195504754 GDMNLDOPKZZEJL-INCXFHAMSA-N 346.379 2.125 0 1 EEAF CN1CC[C@]2(CC1=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582853 OGZGAYLZGNGDNI-VQIMIIECSA-N 339.347 2.345 0 1 EEAF COc1cccc2cc3c(nc12)[C@@]1(CC(=O)C[C@H](C(=O)O)C1)NCC3 963043760 AESLCYOHFDPZHJ-ORAYPTAESA-N 340.379 2.038 0 1 EEAF C[C@](O)(C[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21)C1CCOCC1 962913772 RKCCNZBBDRUGMK-MPGHIAIKSA-N 337.391 2.033 0 1 EEAF COc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2OC)ccc1O 2356362329 FAKIGXKXGPZHOO-IRXDYDNUSA-N 332.308 2.143 0 1 EEAF CC(=S)NC[C@H]1CN(c2ccc3c(c2)CC[C@@H](C)N3C=O)C(=O)O1 3994579 LBKIHFGZCLLJKJ-ABAIWWIYSA-N 347.440 2.246 0 1 EEAF COc1ccc(CN2CCN(Cc3ccccc3)[C@H](CO)C2)cc1 56834417 RHUXOEGREIFOAV-IBGZPJMESA-N 326.440 2.374 0 1 EEAF in-vitro NS(=O)(=O)c1ccc(NC(=O)Nc2cc(F)c(F)cc2F)cc1 114361714 IGDMIBIYJZGEPI-UHFFFAOYSA-N 345.302 2.395 0 1 EEAF CC(C)NC[C@H](O)COc1ccc(OCn2cc(Cl)cn2)cc1 27557706 XBXCXVQUOJNTOG-AWEZNQCLSA-N 339.823 2.311 0 1 EEAF COc1ccc(C2=NN(CCO)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26570862 BYYHDFCCMVGVAV-KBPBESRZSA-N 332.400 2.049 0 1 EEAF CCCC[C@]1(O)C2=C3[C@H](CC[C@@H]3C[C@@H]1C)N(C(C)=O)C(NC(C)=O)=N2 2356556573 GNCKPMVCKHRKOC-WLSFQCJRSA-N 347.459 2.334 0 1 EEAF OCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 64540408 BCXYVVILJPQKQT-UHFFFAOYSA-N 339.277 2.461 0 1 EEAF Cc1c(C=C[C@H](O)C[C@H](O)CC(=O)O)ccc2c1[C@@H](O)C[C@@H](C)C2 2356703076 KYDBWGRCKWMGOO-SPOWBLRKSA-N 334.412 2.211 0 1 EEAF CSc1ncc(CN2CCN(C3CCCC3)[C@H](CCO)C2)cn1 36385659 RDNPDNPQBBXSFX-MRXNPFEDSA-N 336.505 2.010 0 3 EEAF Cc1oc(-c2ccsc2)nc1Cc1nc2c(O)nc(N)nc2[nH]1 587027546 VOSWCJIMLXTURC-UHFFFAOYSA-N 328.357 2.256 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nn2)N1 587760694 PXTMOBJDCUVFDO-CPFSXVBKSA-N 325.185 2.340 0 1 EEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Cl)ncc2[nH]1 586951778 ZDHULEIYKQBCNJ-UHFFFAOYSA-N 343.821 2.415 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(C1CCS(=O)(=O)CC1)[C@@H](C2)C3=O 587454016 VWYKVYYSHVCHGG-GUYCJALGSA-N 336.409 2.026 0 1 EEAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccnc(N)c2[nH]1 587066726 GRHUYDATRWFNBM-UHFFFAOYSA-N 332.747 2.594 0 1 EEAF C[C@H](F)[C@H](N)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587124752 OYABASLILFTMTA-CDUCUWFYSA-N 325.287 2.214 0 1 EEAF O=C(N[C@H](Cc1nc2ccccc2[nH]1)C(=O)O)OCc1ccccc1 587202866 LYKRVAFJQJCMIS-OAHLLOKOSA-N 339.351 2.485 0 1 EEAF CC(=O)N[C@@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1ccc(C)cc1 587216810 NJLDGVWYLNPMES-NSHDSACASA-N 343.412 2.076 0 1 EEAF CCOC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 5397941 SAWPEYFENSYTRJ-UHFFFAOYSA-N 337.173 2.236 0 1 EEAF Cn1cc(-c2c[nH]c3ncc(F)cc23)nc(NC[C@H]2CCCO2)c1=O 1857540826 IICNSDBCWNPMMB-LLVKDONJSA-N 343.362 2.054 0 1 EEAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(O)cc1 1911582219 OTXHTHLWMVZZDQ-HNNXBMFYSA-N 327.336 2.356 0 1 EEAF O=C1CC(C[C@H](O)[C@H]2CCCC[C@@H]2O)CC(=O)N1Cc1ccccc1 1616371 UBXPBIRQRWKPMB-BZSNNMDCSA-N 345.439 2.254 0 1 EEAF C[C@@H]1C[C@@H](C)CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C1 4033624 RVBVWVSLJMZNRO-CHWSQXEVSA-N 331.391 2.206 0 3 EEAF CC=C1CN2CC[C@]34c5ccccc5N(C(C)=O)[C@@H]3[C@H](CO)[C@H]1C[C@@H]24 2356516749 IJTKEUDLEABZCZ-AKJHWKIKSA-N 338.451 2.322 0 1 EEAF CC(=O)c1ccc2[nH]c(=O)n(C(=O)OC3C[C@H]4CC[C@H](C3)N4C)c2c1 100649636 RCCOORHLAOKFMR-CHWSQXEVSA-N 343.383 2.142 0 1 EEAF C[C@H]1C[C@@H]2O[C@@](CC(=O)O)(C1)O[C@@H]1C[C@]3(NC[C@H](C)C[C@@H]3C)O[C@H]21 103012967 CTZZZEJDSUDEMJ-ZDAXYDILSA-N 339.432 2.122 0 1 EEAF CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1coc2ccccc2c1=O 71341887 XUXHARRHCVQEOD-AWEZNQCLSA-N 344.392 2.149 0 1 EEAF COc1ccc(CCN2[C@H]3[C@@H]4[C@H]5C[C@@H]6[C@@H]4[C@]2(O)[C@H]2[C@H]6[C@@H]5[C@@H]32)cc1OC 261129312 KULMFBVVFDTVNX-GFQLIRCDSA-N 339.435 2.007 0 1 EEAF COc1cc2c(c(OC)c1OC)[C@H](O)O[C@@H]1CC=C3CCN(C)[C@@H]3[C@H]21 33832994 MNAREALDHXFRFJ-KJPHAFAOSA-N 347.411 2.220 0 1 EEAF biogenic Oc1cccc(N=c2[nH]c(=NCc3ccccc3)[nH]c3[nH]cnc23)c1 473125489 PZVVBGJCVWOUOJ-UHFFFAOYSA-N 332.367 2.258 0 1 EEAF CCOC(=O)Cc1cccc(Cc2cnc3nc(O)nc(O)c3c2)c1 587559523 JRPOUPYVPNUNOF-UHFFFAOYSA-N 339.351 2.132 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)-c1cn(-c2ccccc2)nc1CC3 587558305 QKMAHCZNRCZQAN-UHFFFAOYSA-N 331.335 2.387 0 1 EEAF COC(=O)C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992757 SZYWAUXSYGYUCJ-UHFFFAOYSA-N 347.326 2.436 0 1 EEAF CCOC(=O)C[C@H](C[C@]1(C)NCCc2c(C)ccnc21)C(=O)OCC 963073505 QKUYIRQQVRAYHF-KUHUBIRLSA-N 348.443 2.274 0 1 EEAF CC1C[C@H]([C@H](O)c2ccccn2)C(=O)[C@@H]([C@@H](O)c2ccccn2)C1 13147505 AHKMRDPUGQRUPR-CKTPVSCNSA-N 326.396 2.475 0 1 EEAF C[C@]1([C@H](O)CO)CC[C@@H]2C(=CC[C@@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]23C)C1 14656898 SMWFFXGYNIDWPX-KOGWCRERSA-N 338.488 2.252 0 1 EEAF NC1=N[C@@]2(c3cccs3)CN(c3ncc(F)cn3)C[C@H]2CS1 169703443 AEEUVUOXVOFFCH-XPTSAGLGSA-N 335.433 2.070 0 1 EEAF COCCc1cnc2[nH]cnc(-c3ccc4c(c3)N(C#N)CCO4)c1-2 1857654138 UEDWZOQXFUIRAN-UHFFFAOYSA-N 335.367 2.445 0 1 EEAF NS(=O)(=O)Oc1ccc2c(c1)C(=O)C[C@H](C1CCCCC1)O2 13491344 WKIWUSGIWISWKH-OAHLLOKOSA-N 325.386 2.183 0 1 EEAF C[C@H](OC(=O)[C@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1)[C@@H](C)O 100057136 GOHDSZGHAHFEHG-BLWLFSITSA-N 342.439 2.440 0 1 EEAF in-vitro O=C1OCCN1CCNc1ncc2c(n1)CCN2c1ccccc1 65453831 GZVILEBFNQAXLQ-UHFFFAOYSA-N 325.372 2.035 0 1 EEAF O=C(O)C[C@H]1CCN(C(=O)C2CC2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356483543 OFTKLZBPQAHASL-KGLIPLIRSA-N 341.411 2.455 0 1 EEAF C[C@H](CO)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4CO)[C@]3(C)CC[C@@]2(C)C=C1 2356649168 BVZWEPLMRFYTFZ-PXSVOPOGSA-N 332.440 2.314 0 1 EEAF COc1cc(C[C@@]2(O)COc3cc(O)ccc3[C@H]2OC)ccc1O 196921586 YKESZSLDFNFOLO-QZTJIDSGSA-N 332.352 2.160 0 1 EEAF O=C1CCc2ccc(O)c(c2)-c2cc(ccc2O)CCC(=O)C1O 220465393 XLFPSTUJYBEZIQ-UHFFFAOYSA-N 326.348 2.143 0 1 EEAF C/C=C1\CN2C(=O)[C@@]3(c4ccccc4NOC)C[C@@H]2[C@@H]2CO[C@H]3C[C@H]12 238759066 GYLCVLMCDDODNS-GUTZRYJLSA-N 340.423 2.493 0 1 EEAF Cc1ccc(CO)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21 299825926 DASSXHRGQPGMQP-UHFFFAOYSA-N 347.378 2.056 0 1 EEAF CCn1c(=O)n(C(C)C)c2cc(C(=O)c3c(C)nn(C)c3O)ccc21 299854734 AIQGBSPYNXFBOE-UHFFFAOYSA-N 342.399 2.382 0 1 EEAF O=C(C[C@H]1COC[C@H]2CN(C3CCCC3)C[C@@H]12)NCc1cccnc1 299843406 REJAPXVAUIDMPD-SCTDSRPQSA-N 343.471 2.225 0 1 EEAF COC(=O)c1ccc(-n2c(O)c(C)c(C)c2O)c(O[C@@H]2CCOC2)c1 587924911 MRBBJABKYHOBRJ-CYBMUJFWSA-N 347.367 2.460 0 1 EEAF C[C@H](CCc1nc2ccc(CN3CCOCC3)cc2[nH]1)CC(=O)O 587962539 FIRWYFFAEJIBAY-CYBMUJFWSA-N 331.416 2.439 0 1 EEAF O=C(c1ccc(O)cc1O)N1CC[C@H](C(F)(F)F)n2nccc21 1772655190 LQNBNBOAGAFNTE-LLVKDONJSA-N 327.262 2.448 0 1 EEAF Cc1cccc(Cc2nnc(CCC(=O)N(C)[C@H]3CCOC3)o2)c1 13595589 GLGRQXFDVMPFPY-HNNXBMFYSA-N 329.400 2.149 0 3 EEAF O=C(c1ccncc1)N1C[C@@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356299941 QWFYMCAVQSNJKW-CZUORRHYSA-N 340.358 2.337 0 1 EEAF CC(C)=C(C)CC[C@](O)([C@@H](C)O)[C@H]1Cc2cc(C(N)=O)ccc2N1 2356699313 NFTNPFPXZQJRAZ-XVSDVWIESA-N 332.444 2.371 0 1 EEAF Cc1ccc(S(=O)(=O)N2C(=O)[C@H]3Cc4ccccc4N3C2=O)cc1 87723006 RRCDZNSJBMKVKX-OAHLLOKOSA-N 342.376 2.077 0 1 EEAF CC(C)Cc1nc2nc(N3CCCC[C@@H]3CCO)ccc2[nH]c1=O 82231567 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253669446 FSCQVYBJKCUYMM-AKFUFZDJSA-N 327.424 2.281 0 1 EEAF CCOC(Cn1nc(-c2cccc(O)c2)c2c(N)ncnc21)OCC 653861723 JTVUIGUQYAYWOC-UHFFFAOYSA-N 343.387 2.180 0 1 EEAF COC(=O)c1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2n1 587044433 WTOIHYXJEJYLSY-UHFFFAOYSA-N 340.364 2.456 0 1 EEAF COC(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2n1 586923993 CZLCLUIITCYPDH-KTKRTIGZSA-N 343.364 2.189 0 1 EEAF O=C(O)c1ccnc(-n2nccc2OCc2ccc3cn[nH]c3c2)c1 146676817 LLIMXLUTGJVMBY-UHFFFAOYSA-N 335.323 2.421 0 1 EEAF CC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 12377524 DBQNEWHUHBLPIW-UMNHJUIQSA-N 336.697 2.150 0 1 EEAF C[C@H](c1c[nH]c2ccccc12)[C@@H]1SC(NCCN(C)C)=NC1=O 169315705 PYWBIUSAIBZZLO-ABAIWWIYSA-N 330.457 2.421 0 1 EEAF O=C(c1cccc(F)c1)N1CCC2(CC1)CN(c1ncccn1)C2 4238160 SKMWUDGKDREALD-UHFFFAOYSA-N 326.375 2.358 0 1 EEAF O=S1(=O)N=C(NCc2ccccc2)Nc2c(O)cc(Cl)cc21 28822802 MKVALXSVMHXPIC-UHFFFAOYSA-N 337.788 2.306 0 1 EEAF CCCCNC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](N)C(C)C 27741924 ZTVNDFOOMBMSCA-CVEARBPZSA-N 325.497 2.341 0 1 EEAF NC1=N[C@@H](c2ccccc2)NC(NCCCOc2ccccc2F)=N1 71294383 DPFQMBPZWLPCAF-MRXNPFEDSA-N 341.390 2.157 0 1 EEAF Cc1c(C(=O)NCCc2ccccc2)[n+](=O)c2cc(F)ccc2n1O 49067134 PGFMXOBZVUOAPS-UHFFFAOYSA-O 342.350 2.213 0 1 EEAF CN1CCN(c2nc(C(=O)O)nc3c2oc2ccc(Cl)cc23)CC1 49111572 LFWHEJMWXGWDMW-UHFFFAOYSA-N 346.774 2.479 0 1 EEAF CC[C@H]1[C@@H]2C[C@H]3c4c(c5ccccc5n4C)[C@H]4O[C@@H](O)[C@@H]2[C@H]4N3[C@@H]1O 136648561 LCYYYYGFLZJERP-AGPSWOMGSA-N 340.423 2.288 0 1 EEAF COC(=O)c1c(Cc2ccccc2)n(O)c2cc(F)c(F)cc2[n+]1=O 137261791 CVHBGABQXGEWLD-UHFFFAOYSA-N 347.297 2.449 0 1 EEAF Nc1ncc(C(=O)NC2CNC2)c2ccc(-c3cccc(F)c3)cc12 144746852 SNRKPWLLOUSKIH-UHFFFAOYSA-N 336.370 2.325 0 1 EEAF COc1ccccc1[C@H]1CC(C)=NN1C(=O)CN1CCC(OC)CC1 653719922 QUYGKIBRMKMIJJ-QGZVFWFLSA-N 345.443 2.455 0 1 EEAF COC(=O)c1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c[nH]1 587438021 KWIZLOCPOBODPO-XIKOKIGWSA-N 327.336 2.473 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(C=C(C)N(C4CC4)C(=O)C1)[C@@H](C2)C3=O 587438509 PMRHKBZSJGOSSF-IFXJQAMLSA-N 325.364 2.480 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CO[C@@H]2CCCO[C@@H]2C1 963582115 OZXQZABZTKFSIN-QZSAOPTASA-N 333.428 2.401 0 1 EEAF Cc1c(O)ccc2c1[C@]1(C[C@@H](C)N[C@@H]3CCCC[C@H]31)N[C@H](C(=O)O)C2 963513219 ZOZVMZCJGXTEGG-IBOSZNHHSA-N 344.455 2.435 0 1 EEAF CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 6560755 ZXJWUBIOSBLSFW-CQSZACIVSA-N 348.428 2.256 0 1 EEAF Cc1ccccc1[C@H](C(=O)NCc1cccnc1N(C)C)N(C)C 12574340 VYLWYSXGKRDDKE-QGZVFWFLSA-N 326.444 2.375 0 1 EEAF COc1cc(O)c2c(c1)/C=C\CC[C@H](O)[C@H](O)/C=C/C[C@H](C)OC2=O 169727613 HZGOYSKUPKXELQ-MWBKUDQBSA-N 348.395 2.421 0 1 EEAF Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O 3798484 CUYIBIIXRWZLMQ-PKOBYXMFSA-N 341.407 2.170 0 1 EEAF CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1 3820984 BGOSIINXNVDELB-HNNXBMFYSA-N 340.383 2.027 0 1 EEAF CN(Cc1cc2ccccc2s1)c1ncc2c(N)nc(N)nc2n1 102253357 IHKGQGZPMBQGEH-UHFFFAOYSA-N 337.412 2.435 0 1 EEAF CC(=O)C(=O)N(c1ccccc1CCO)c1ccccc1C(=O)O 103222612 WXJOVHATLDUILX-UHFFFAOYSA-N 327.336 2.173 0 1 EEAF O=C(NCCN1CCCCCC1)N1CCN(c2ccccc2)CC1 26173420 PGYGFDRMXLUTOL-UHFFFAOYSA-N 330.476 2.394 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NCC12C[C@@H]3CN(C[C@@H]3C1)C2 26262917 UVHMYOBKZSQXOO-DNJLBHFNSA-N 335.835 2.002 0 1 EEAF CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1 28821274 OQSIDBCKNRLVHE-UHFFFAOYSA-N 334.460 2.165 0 1 EEAF C[C@@H]1CC[C@]2(CO)C(CO)=CCC[C@@H]2[C@]1(C)CCC(=CCO)CO 2356616921 KZBUOBLJHGAMHA-XLNTUCKNSA-N 338.488 2.421 0 1 EEAF CC(C)n1nc(-c2ccc3nc(NN)ccc3c2)c2c(N)ncnc21 64516330 NRZFXYCLDSAYDI-UHFFFAOYSA-N 334.387 2.490 0 1 EEAF C[C@H]1[C@@H](C)NC(=O)c2cc3ccc(C(=O)Nc4cnn(C)c4)cc3n21 218293948 NVSYOSANDJFZBO-MNOVXSKESA-N 337.383 2.320 0 1 EEAF COc1cc2c(c(OC)c1OC)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2 40395707 IHLAYEPFAZALIZ-JKSUJKDBSA-N 346.335 2.095 0 1 EEAF Cc1cn(CCCN/C(=C\[N+](=O)[O-])Nc2ccc3c(c2)OCO3)cn1 147493082 DRDRFTRZLLMRCL-CXUHLZMHSA-N 345.359 2.088 0 1 EEAF COC(=O)[C@@H]1C[C@@]23C=CCN4C[C@@H]([C@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@H]43 254111045 AXEOWLVNPZQDNZ-GHIFTJQISA-N 336.435 2.418 0 1 EEAF Cc1cc(C)n2ncc(C(=O)N[C@H]3[C@H]4C[C@H]5C[C@@H]3C[C@@](O)(C5)C4)c2n1 263621208 XAKHQMQFIBQWBI-IEDOMMSGSA-N 340.427 2.016 0 1 EEAF in-vitro Oc1nc(S)nc2[nH]c(-c3ncc(Br)cc3F)nc12 587158298 WBFSUYVPLJWAOD-UHFFFAOYSA-N 342.153 2.311 0 1 EEAF COC(=O)CCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587393207 ZSYSDCZSUBTFSP-HNNXBMFYSA-N 329.356 2.043 0 1 EEAF COC(=O)CC[C@H](N)c1nc2ccc(F)c(Br)c2[nH]1 587260398 VKRIKXLMOAJKSQ-ZETCQYMHSA-N 330.157 2.418 0 1 EEAF Cc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)o1 1772656725 SOQXYEGWTMCTSF-UHFFFAOYSA-N 336.355 2.332 0 1 EEAF OCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1 13589649 SVTYRPMWUMIDRA-UHFFFAOYSA-N 346.394 2.341 0 1 EEAF N[C@@](CCc1cc(Cl)cc(Cl)c1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O 13777483 WHJMNWPWVNYCQV-COPLHBTASA-N 332.183 2.429 0 1 EEAF CC[C@@H](C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@@H]3C1=O 169296313 WBTXSYLBOXAEQH-DIYQJYNUSA-N 341.407 2.310 0 1 EEAF O=C(O)Cn1c(=O)c(CCc2ccc(F)cc2)nc2ccccc21 169342610 OKCFLAXZGMBTPU-UHFFFAOYSA-N 326.327 2.405 0 1 EEAF OC[C@H]1O[C@@H](n2ccc3cc(C4CCCCC4)ccc32)[C@H](O)[C@@H]1O 1857646890 AJXLHUWOGAOHHJ-NCXUSEDFSA-N 331.412 2.301 0 1 EEAF CCOC(=O)[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=O 3778969 XXUGJIVIFONKQL-VIFPVBQESA-N 330.167 2.084 0 1 EEAF CC[C@@H]1CN[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 2356693975 SAJWGFXMIQVKFI-HULSBCJNSA-N 342.439 2.255 0 1 EEAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(N5CCOCC5)ccc4CCN3C[C@@H]12 199740153 CSGVVHXGQUZAKF-DSYPUSFNSA-N 343.471 2.076 0 3 EEAF CC(C)=CCC1=C[C@](O)(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)CC[C@@H]1O 238752731 WTJGJRJHDRYDGX-JAYZULETSA-N 349.471 2.323 0 1 EEAF CS(=O)(=O)c1ccc(CN2C3=NCCN3c3ccccc32)cc1 299833706 VYUABVKHCIEPCL-UHFFFAOYSA-N 327.409 2.286 0 1 EEAF C[C@H]1CC(=O)N([C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)C1=O 299860445 GQRXXGYAFMFWJK-VHSXEESVSA-N 342.317 2.105 0 1 EEAF O=C1CSC[C@H](c2nc3ccc(F)c(Br)c3[nH]2)N1 587042299 DEBHJPLLBGWBCS-SSDOTTSWSA-N 330.182 2.369 0 1 EEAF Cc1csc([C@](O)(Cc2nc3cncnc3[nH]2)C(F)(F)F)n1 587093474 FHBOJLKHSCZKBI-LLVKDONJSA-N 329.307 2.110 0 1 EEAF CNC(=O)[C@H]1C[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 587235087 KWYKSCQGRQSENL-WHFBIAKZSA-N 329.585 2.223 0 1 EEAF CCCCOc1cc(C(=O)N2CCN(C)CC2)nn1-c1ccccc1 169344159 KWJPGUBAAVAPMG-UHFFFAOYSA-N 342.443 2.439 0 1 EEAF COc1ccc2c3c1O[C@@H]1C=C([C@H](C)O)C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169364843 QWIOCLNAHOMHPC-MQTUVMPHSA-N 327.424 2.281 0 1 EEAF CN1C(=O)C(NCc2ccccn2)=C(c2cn(C)c3ccccc23)C1=O 1857596702 ZEMYSUJSKIKMHD-UHFFFAOYSA-N 346.390 2.073 0 1 EEAF CC(=O)Nc1cccc2c1[C@H]1c3ccccc3[C@H]2[C@H]2C(=O)NC(=O)[C@@H]12 1857603465 OZQOTOAAFVHBSB-DDBAPUKQSA-N 332.359 2.125 0 1 EEAF C[C@]12C(=O)O[C@H]3Cc4c(ccc5ccoc45)[C@@]4(CC[C@@]1(O)OC4)[C@@H]32 2356336158 HDJDBLLWQBRQMW-LEYVVWKUSA-N 326.348 2.287 0 1 EEAF CCOC(=O)c1c(S(=O)(=O)N2CCCCCC2)c(C)n(C)c1C 7002685 MXJPRQLXQKTHJK-UHFFFAOYSA-N 342.461 2.383 0 3 EEAF CCOC(=O)c1sc(SC)nc1OC[C@H](O)CNC(C)(C)C 27751330 HCVMDVSMCPMXJS-SECBINFHSA-N 348.490 2.170 0 1 EEAF CN1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1 223681502 OGYCZCYISQKRAP-UHFFFAOYSA-N 340.456 2.112 0 1 EEAF Nc1ccc(-c2cccc3c(=O)nc(N4CCOCC4)oc23)c(F)c1 95562181 UNKSAIJHKLOVQP-UHFFFAOYSA-N 341.342 2.413 0 1 EEAF CC(=C/CO)/C=C/[C@@H]1[C@](C)(O)[C@H](O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C 257532774 RMAJUEUHZWCNQM-UKKPOSQISA-N 338.488 2.416 0 1 EEAF endogenous,in-man COc1ccc(C(=O)NN2CCN(c3ccccc3)CC2)cc1OC 299852513 TWTOXKAURWEIIM-UHFFFAOYSA-N 341.411 2.171 0 1 EEAF CN(C[C@@]1(O)CCCN(c2ccccn2)C1)C(=O)Cc1ccsc1 299852035 MHUWMJSKVOAQLG-SFHVURJKSA-N 345.468 2.176 0 1 EEAF O=C(NCc1nc2cnc(Cl)[nH]c-2n1)c1cc2c(s1)CCC2 587035384 STHHSLVNDDRNAR-UHFFFAOYSA-N 333.804 2.438 0 1 EEAF CS(=O)(=O)c1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 586926820 QSHODYPFSGRHMP-UHFFFAOYSA-N 342.302 2.394 0 1 EEAF CCCCNS(=O)(=O)c1ccc2nc(-c3cncc(N)c3)[nH]c2c1 587254657 UGTLXEDMYBBYEF-UHFFFAOYSA-N 345.428 2.286 0 1 EEAF CNc1nc(Cl)ncc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419442 DZFMPEBLSLFPLX-YMTOWFKASA-N 331.759 2.669 0 1 EEAF Nc1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1CC(=O)O 587249320 HHXMDMPBPWEJJY-OAHLLOKOSA-N 325.328 2.163 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Cl)c1)(C(O)O)O2 587377823 KIHSUZMJGFDMOE-QGZVFWFLSA-N 333.771 2.402 0 1 EEAF O=C(O)COCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587563897 YNXFQSUNKFINNE-UHFFFAOYSA-N 325.193 2.213 0 1 EEAF COc1ccc(/C=C\Cc2nc3c(O)nc(O)nc3[nH]2)c(OC)c1 587930788 VPLSTGAXUFYGJX-ARJAWSKDSA-N 328.328 2.037 0 1 EEAF COc1cc(Cl)ncc1[C@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963493114 VRQHGABDUMNZLP-MEDUHNTESA-N 348.786 2.446 0 1 EEAF CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O 207731183 YLLVQFPLWBLWGZ-INIZCTEOSA-N 345.443 2.378 0 1 EEAF CC(=O)C1=CC[C@@H]2C3=CCC4=C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 1607607 IWQKGRNFKYKJHS-YICFOJQDSA-N 344.451 2.297 0 1 EEAF biogenic O=C(S[C@H]1CC[C@@H]1C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 27410385 COEUELRPLOMUMC-IHRRRGAJSA-N 333.409 2.414 0 1 EEAF Fc1cnccc1CN1C[C@H](F)[C@H](OCc2nc3cccnc3[nH]2)C1 2356731001 SIQYJMQLFHFJJO-DZGCQCFKSA-N 345.353 2.231 0 1 EEAF Cc1ccc(-c2nc(C(=O)NCC(=O)NCc3ccco3)co2)cc1 82071940 UBLLSCYWSFTTEU-UHFFFAOYSA-N 339.351 2.289 0 1 EEAF COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)ccc(C)c1O 238733841 GOUKLPYPPSXGLF-UHFFFAOYSA-N 332.308 2.138 0 1 EEAF COc1cc(C2=C[C@H](c3ccc(O)c(OC)c3)CNC2=O)ccc1O 238788937 LLGDWIWQIRFKDX-ZDUSSCGKSA-N 341.363 2.412 0 1 EEAF COc1ccc(CN2CCO[C@H]3C[C@H](C(=O)NC(C)C)C[C@H]32)cc1 299842623 VZQPYYJUFHMRTB-NXHRZFHOSA-N 332.444 2.199 0 1 EEAF O=C1CCC[C@H]1[C@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O 40392928 NRHPRGPVMBPMKF-JLTOFOAXSA-N 332.359 2.304 0 1 EEAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(O)cc1)(C(=O)O)O2 587403542 IMHHIGHNOJWOGF-SFHVURJKSA-N 327.336 2.314 0 1 EEAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccnc3[nH]2)cc1 586941965 YTCWMTJNEQITAI-CSKARUKUSA-N 328.397 2.357 0 1 EEAF Fc1cccc(Cn2nnc(-c3nc4cncnc4[nH]3)c2Cl)c1 587161105 JYBINLXZVYMMIV-UHFFFAOYSA-N 329.726 2.452 0 1 EEAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H]([C@H]3CCOC3)N12 962649573 XSHDKEVGRTULSE-IYJAJMOOSA-N 326.396 2.411 0 1 EEAF Nc1ncc2c(n1)CCN(c1cc(C(=O)Nc3ccccc3)ccn1)C2 169710070 NMXFWIAGZYYENT-UHFFFAOYSA-N 346.394 2.269 0 1 EEAF CCOC(=O)[C@@]1(Cc2c[nH]c3ccccc23)[C@H](O)CCCN1C(C)=O 1858578 PBCTUFWZRPYFQI-IEBWSBKVSA-N 344.411 2.016 0 1 EEAF COc1cc(OC)cc(C(=O)Nc2nnc(-c3cccnc3)o2)c1 4264978 QOBMIQSMYBPAIM-UHFFFAOYSA-N 326.312 2.401 0 3 EEAF CCCCCO/C(O)=C1\C(C)=N[C@]2(O)c3ccccc3C(=O)[C@]12O 104070533 HAELVZBIHRISLW-XVJDLHIWSA-N 331.368 2.210 0 1 EEAF C/C=C/C[C@H](O)C(=O)[C@H](C)CCC[C@]1(C)CO[C@H](CC(=O)O)CO1 102217906 AHOVOJJBJRQBJK-YFRFHNCYSA-N 342.432 2.338 0 1 EEAF CC=C1CN2[C@H]3C[C@]45c6ccccc6N[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)OC 2356495699 BDXYPHKGNUGUFG-MZNMFWKDSA-N 338.407 2.246 0 1 EEAF C[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]12CO[C@H](O)[C@H]1C(C)(C)CC[C@H]2OC3=O 2356654196 WSRQDGKCDIHPPB-QVWCOGPFSA-N 348.439 2.305 0 1 EEAF CC(C)Cn1c(=O)n(C)c(=O)c2c1ncn2Cc1ccc(Cl)cc1 33824034 KDUYSPNLZTVJTB-UHFFFAOYSA-N 346.818 2.254 0 1 EEAF COc1cc2c(cc1O)[C@@H]1Cc3c(cncc3[C@H](C)O)C(=O)N1CC2 13309748 DOJFCGWUFPORMP-QFYYESIMSA-N 340.379 2.145 0 1 EEAF biogenic NC(=O)c1ccc(CNC(=O)c2coc(-c3cccs3)n2)cc1 82081832 SUBKIHAAUOMEHA-UHFFFAOYSA-N 327.365 2.432 0 1 EEAF O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2ccncn2)C1 95565053 KEQYDJXUHRBNPO-UHFFFAOYSA-N 340.774 2.045 0 1 EEAF COC(=O)c1ccnc2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc12 587968874 HMJOVEXWSBUEJR-GNBKPXKDSA-N 325.368 2.391 0 1 EEAF COC(=O)[C@H]1C[C@@H](Nc2nc(-c3ccncc3)nc3cnccc23)C1 1857550763 FKNHFSIQSCWSDP-BETUJISGSA-N 335.367 2.450 0 1 EEAF NC[C@H](CCCCNC(=O)c1ccccc1)NC(=O)c1ccccc1 1857602347 FZNCHGATFBBMPY-SFHVURJKSA-N 339.439 2.344 0 1 EEAF O=C1C[C@@H]2OC=C[C@@H]3CN4CC[C@]56c7ccccc7N1[C@@H]5[C@H]2[C@H]3C[C@@H]46 2356384104 AVYUKZRROFQFPA-BJGCXGEBSA-N 334.419 2.296 0 1 EEAF Cc1cccc(OC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1C 4916983 MGKIYAJHDODEFI-AZQPONJRSA-N 327.380 2.240 0 1 EEAF CN(C)CCN1C(=O)c2cccc3c2c(cc2nc(N)sc23)C1=O 28119146 CBYOVKAIGHVDHG-UHFFFAOYSA-N 340.408 2.189 0 1 EEAF CN1[C@H](C(=O)O)CS[C@@H]1c1csc(-c2ccc(O)cc2O)n1 103234734 VNFKVBSUMZICBM-GXFFZTMASA-N 338.410 2.352 0 1 EEAF CNCCN1C(=O)[C@@H](O)[C@H](c2ccc(O)cc2)Sc2ccccc21 26968617 ZTRZZXJIQHVVGS-IRXDYDNUSA-N 344.436 2.153 0 1 EEAF C[C@@]1(CO)[C@H]2CC=C3C[C@H]4C[C@]3(CC[C@@]4(O)CO)[C@]2(C)CC[C@H]1O 2356597972 AOVRTCZFFWQNCK-YGJNQFLQSA-N 336.472 2.006 0 1 EEAF COC(=O)[C@H]1[C@@H](OC(=O)C=Cc2ccccc2)C[C@H]2CC[C@H]1N2C 2356648048 MQIXMJWNEKUAOZ-XLMAVXFVSA-N 329.396 2.267 0 1 EEAF c1cc(NC2=NCCN2)ccc1CCc1ccc(NC2=NCCN2)cc1 29133016 FVMINRJLBADTKR-UHFFFAOYSA-N 348.454 2.214 0 1 EEAF CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3snnc3c2)CC1 61926021 HTVDJSWLHONUNO-LLVKDONJSA-N 332.429 2.070 0 3 EEAF CCn1cc(-c2nnc3sc(S)nn23)c(=O)c2ccc(C)nc21 72177266 QGXSQQXWEZGSCK-UHFFFAOYSA-N 344.425 2.180 0 1 EEAF COc1cccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1 73139538 MQWZUIOSRHSQHJ-UHFFFAOYSA-N 347.396 2.026 0 1 EEAF CC(C)Oc1ccc(CCCON2C(=N)N=C(N)NC2(C)C)cc1 45187267 VSGVIOIJSBRBCH-UHFFFAOYSA-N 333.436 2.229 0 1 EEAF CC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccccc3)C[C@@H]21 95894233 PWKBDVMDCKLWIS-GBESFXJTSA-N 336.391 2.022 0 1 EEAF CN(C(=O)[C@H]1CC[C@H](c2ccccn2)NC1=O)C(C1CC1)C1CC1 618013234 OHMAAFLDRCKORR-GOEBONIOSA-N 327.428 2.296 0 1 EEAF O=C(c1cnccn1)N1C[C@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@@H]2C1 299842480 GWZYYKQOYVXNAX-KCPJHIHWSA-N 342.424 2.413 0 1 EEAF CNc1nccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587581004 UOQRHDNSGPIGCB-MAUKXSAKSA-N 349.346 2.927 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2C(CCO)(CCO)N1 587829546 XUVFEBYPYJPYOH-VIFPVBQESA-N 332.213 2.083 0 1 EEAF CCn1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(=O)OC)n1 587637855 AUIPIVSHCWAROP-UHFFFAOYSA-N 341.323 2.105 0 1 EEAF CCCS(=O)(=O)N1CCC(c2nc3cc(F)cnc3[nH]2)CC1 586953742 YXVOVEYUNADOFT-UHFFFAOYSA-N 326.397 2.016 0 1 EEAF CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(C34C[C@@H]5CC3C[C@@H](C5)C4)nc21 12405355 FVGRCQWVXKAUCG-WVPWYFHKSA-N 342.443 2.157 0 1 EEAF Cc1cnc2c(C(=O)NCCF)cn(Cc3ncc(C)nc3C)c2c1 169351311 WPSYWIVRXTXZMG-UHFFFAOYSA-N 341.390 2.499 0 1 EEAF COc1ccccc1C(=O)N1C[C@H]2CN(c3nccc(C)n3)C[C@@H]2C1 116822953 QHONPQUKHVHBBQ-GJZGRUSLSA-N 338.411 2.002 0 1 EEAF CS(=O)(=O)c1ccc(Nc2nnc(-c3ccccc3N)o2)cc1 33829722 HROJHQJAANMFQT-UHFFFAOYSA-N 330.369 2.466 0 1 EEAF O=c1[nH]c2ccc(Cl)cc2n1S(=O)(=O)c1ccccc1F 43010132 IBZUSPOJNNPHMD-UHFFFAOYSA-N 326.736 2.359 0 1 EEAF COc1ccc(C)c2sc(NS(=O)(=O)c3cnn(C)c3)nc12 84729803 PDSOJRBVSJEWCN-UHFFFAOYSA-N 338.414 2.148 0 1 EEAF NC1=N[C@@]2(CO1)c1cc(Br)c(F)cc1OCC21CC1 149297926 UFQBEFKDLIPXMN-ZDUSSCGKSA-N 327.153 2.301 0 1 EEAF COc1cc(O)cc2c1C(=O)O[C@@H](C)CC=C[C@@H](O)[C@@H](O)CCC=C2 299816505 DHJLJFUHCPWDSW-VBNZEHGJSA-N 348.395 2.421 0 1 EEAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCOC4)ncc23)ccn1 261192471 ZREHSZAAUJRDNF-GFCCVEGCSA-N 338.371 2.239 0 1 EEAF O=C([C@H]1CCc2nncn2C1)n1nc2cc1Oc1ccc(F)cc1-2 587876260 QAXIYJSHJQCNTM-VIFPVBQESA-N 325.303 2.289 0 1 EEAF Cn1cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C(F)(F)F)c1 587115182 HIJGVNXHBBBELG-UHFFFAOYSA-N 344.318 2.235 0 1 EEAF Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1Br 587367358 WPVSIALSJHHROG-UHFFFAOYSA-N 333.145 2.448 0 1 EEAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(N)ncnc4[nH]1)(C3)C2 587949965 GRSBUCKPVHXNHZ-HLASGMPESA-N 327.388 2.089 0 1 EEAF NC1CCC(n2cc(C(=O)N[C@H]3CCc4ccccc4C3)nn2)CC1 77437662 GDNZKYWBRMVEEK-CGZBRXJRSA-N 339.443 2.008 0 1 EEAF CCCn1c(=O)c2[nH]c([C@@H]3C[C@@H]4C=C[C@H]3C4)nc2n(CCC)c1=O 12405340 LMZOGRHOEMOQIR-FRRDWIJNSA-N 328.416 2.386 0 1 EEAF CC1=CCC[C@@H]2[C@@](C)(CC/C(=C/CO)CO)[C@H](C)C[C@H](O)[C@@]12CO 13401420 NJLSXRXWVWUJTF-PUUFOPHVSA-N 338.488 2.420 0 1 EEAF C/C=C(/CO)c1cc2n(c(=O)c1CO)CCc1c-2[nH]c2ccccc12 14612560 FIELJMSNCWUFSW-OIXVIMQBSA-N 336.391 2.441 0 1 EEAF O=C(CN1CCN(Cc2ccccc2F)C1=O)NCc1ccccc1 428435 WGMLRIPWXCZQQY-UHFFFAOYSA-N 341.386 2.380 0 1 EEAF Cn1ncc2c(N3CCOCC3)nc(Nc3ccc(F)c(F)c3)nc21 7450557 PJGVGAXDZBVOCZ-UHFFFAOYSA-N 346.341 2.222 0 1 EEAF COCCCNC(=O)C1CCN(c2nc3ccc(C)cc3[nH]2)CC1 8599417 KCTHWUXVPAECBK-UHFFFAOYSA-N 330.432 2.240 0 1 EEAF CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccco3)c2)nn1 9626627 GFFAXWMLTURVOO-UHFFFAOYSA-N 343.364 2.392 0 3 EEAF C[C@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O 103231528 HQNLILIULUACEP-VKHMYHEASA-N 342.927 2.025 0 1 EEAF COC(=O)C1=C2[C@](C)(C(=O)OC)C(=O)CC[C@@]2(C)c2ccccc21 2356529536 JRSPUWVUJVKEPF-RBUKOAKNSA-N 328.364 2.427 0 1 EEAF OCC(CO)(CO)NCc1ccc2c3c(cccc13)-c1ccccc1-2 39628070 DWIFYUSSMATSQZ-UHFFFAOYSA-N 335.403 2.293 0 1 EEAF CCc1cc(=O)oc2nc(OCc3ccc(OC)cc3)[nH]c(=O)c12 73157363 ICSWXBAKFFYUCU-UHFFFAOYSA-N 328.324 2.026 0 1 EEAF CC(C)Cc1ccc(C2=NN(CN3CCN(C)CC3)C(=O)CC2)cc1 49803245 LPECGIDWCJGCDQ-UHFFFAOYSA-N 342.487 2.417 0 1 EEAF CCNc1nc(N2CCC[C@@H](CO)C2)nc2cc(OC)c(OC)cc12 82131448 ASUSTAQIVWIJPU-GFCCVEGCSA-N 346.431 2.288 0 1 EEAF O=C(O)COc1cc(F)ccc1C(=O)NCc1cccc([N+](=O)[O-])c1 136147295 HOFFXZBMYHZMTN-UHFFFAOYSA-N 348.286 2.127 0 1 EEAF in-vitro COc1cc(C)c(C(=O)Oc2c(C)cc(O)c(C=O)c2O)c(O)c1 238786745 QBMDOWGOAZCBTD-UHFFFAOYSA-N 332.308 2.461 0 1 EEAF Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)[C@H]3C2=O)cc1 25410391 UIBVGPOKMCYZSF-HZPDHXFCSA-N 341.411 2.211 0 1 EEAF biogenic COC(=O)[C@@H]1C[C@@]23C=CCN4C[C@@H]([C@@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@H]43 254111050 AXEOWLVNPZQDNZ-LYLGUCJRSA-N 336.435 2.418 0 1 EEAF CN1[C@H]2C[C@@H](O)[C@H]1C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518093 ALDGFBJBDPWKFO-ITSWUFQBSA-N 327.424 2.497 0 1 EEAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1 587131076 WHAWCPHVJVLZFU-UHFFFAOYSA-N 339.323 2.479 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCn3nc(C(=O)O)cc31)O2 587394430 GZQBKUUMBGBYCA-QGZVFWFLSA-N 327.340 2.126 0 1 EEAF CN(Cc1ccccc1)[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587370438 WTOJURHSGRZBSF-AWEZNQCLSA-N 336.395 2.425 0 1 EEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)Oc1ccccc1 169295071 LSSXITVLSRQODU-QHNADIDASA-N 337.375 2.035 0 1 EEAF CN1CCN(c2nc(-c3cccc(Cl)c3)nc3[nH]cnc23)CC1 1857547702 NZTWDRFYTMXGMQ-UHFFFAOYSA-N 328.807 2.425 0 1 EEAF COc1cc(C[C@@H]2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC 1654815 CEJLKULOOMMHNK-JTQLQIEISA-N 344.415 2.014 0 1 EEAF CC(C)NC(=O)N1CCCC2(CCN(C(=O)c3cccn3C)CC2)C1 4237964 WUGKCBIITLLNIH-UHFFFAOYSA-N 346.475 2.461 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NCC1[C@H]2CC3C[C@H]1CN3C2 100820734 KDAGOUIJCJUMDN-QKIYJJFGSA-N 335.835 2.001 0 1 EEAF COc1c(O)c(I)c(C)c(C(=O)O)c1OC 8299656 JFNYBTUZUIKXSC-UHFFFAOYSA-N 338.097 2.021 0 1 EEAF in-vitro COc1ccc(CCN2[C@H]3[C@H]4[C@H]5[C@@H]6[C@@H]7C[C@H]5[C@@H]3[C@H]7[C@]2(O)[C@H]64)cc1OC 101592018 KULMFBVVFDTVNX-UETDEVIYSA-N 339.435 2.007 0 1 EEAF COc1ccc(COc2ccc(C[C@H](NC(C)=O)C(=O)O)cc2)cc1 28708279 AWGLKUBNJUSEKV-SFHVURJKSA-N 343.379 2.406 0 1 EEAF NC(=O)c1c(-c2ccc3ccccc3c2)nn(CC2CCNCC2)c1N 103251505 BAJCQXWKKBBHQY-UHFFFAOYSA-N 349.438 2.384 0 1 EEAF O=C(O)CCCN1CCC(CNC(=O)c2c[nH]c3ccccc23)CC1 66262998 AUZFOPFELUKHHW-UHFFFAOYSA-N 343.427 2.475 0 1 EEAF Cc1ccccc1OCC(=O)NCCC(=O)Nc1ccccc1O 61943419 LURHJJKSBHWTNO-UHFFFAOYSA-N 328.368 2.224 0 1 EEAF C[C@]12CC[C@@H]3c4c(cc(O)cc4S(N)(=O)=O)CC[C@H]3[C@@H]1CCC2=O 27519736 BPVZVIZQJIYJGO-COJSNBRMSA-N 349.452 2.465 0 1 EEAF O=C1[C@H]2CCCC[C@H]2C(=O)N1c1nc(Cc2ccc(F)cc2)n[nH]1 64728598 WZQUKUCVURUYOW-BETUJISGSA-N 328.347 2.214 0 1 EEAF CN1C(Nc2nc3ccccc3s2)=NC[C@@]12CN1CCC2CC1 210824114 QJCQTLSLIJTHTC-KRWDZBQOSA-N 327.457 2.474 0 1 EEAF CC(C)N1CCO[C@@H](COc2cccc(CN3CCOCC3)c2)C1 40973676 KGTSNEQWKPVWKC-LJQANCHMSA-N 334.460 2.007 0 1 EEAF NC1=NC2(CCCCC2)N(OCCCCOc2ccccc2)C(N)=N1 87721923 UDNBEBSIAMCXCL-UHFFFAOYSA-N 345.447 2.383 0 1 EEAF O=C(C[C@H]1SC(=O)NC1=O)Nc1nc(-c2ccccc2)cs1 96916384 KEQAFIKBSSZANB-SNVBAGLBSA-N 333.394 2.490 0 1 EEAF Oc1ccc2c(c1)CCN([C@H]1CO[C@H](c3ccccc3)OC1)C[C@H]2O 253920484 DKUNGJZSUMCVMS-NSISKUIASA-N 341.407 2.398 0 1 EEAF COC(=O)c1cccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c12 587094152 LEYSRLSRJDXGJP-SSDOTTSWSA-N 329.278 2.479 0 1 EEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(CCO)cc2[nH]1 587224828 KJVYHVLANLUEDC-ZDUSSCGKSA-N 339.395 2.181 0 1 EEAF CS(=O)(=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 587153799 DHSUPZZCPBBYNA-SJCJKPOMSA-N 345.399 2.447 0 1 EEAF CCCCS(=O)(=O)N[C@@H](c1nc2cnc(Cl)[nH]c-2n1)C(C)C 586933251 OBRUZFUGWIWDAD-SNVBAGLBSA-N 345.856 2.375 0 1 EEAF COC(=O)C[C@@]1(c2ccncc2)CC(=O)c2cc(C)cc(N)c2O1 587393856 APFDEXNANSWWSX-GOSISDBHSA-N 326.352 2.396 0 1 EEAF NC(=O)NCCC[C@H](N)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587259336 JIJKEEPXXRIDSK-QMMMGPOBSA-N 333.289 2.169 0 1 EEAF O=S1(=O)CCN([C@H]2CCCc3c2nc2cccc4c2c3CC4)CC1 587216438 BNARKNVUPIDZDU-KRWDZBQOSA-N 342.464 2.441 0 1 EEAF CC(C)Oc1ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2c1 586923865 ZBFPTEKJTUUABV-UHFFFAOYSA-N 348.428 2.199 0 1 EEAF C[C@@H](NC(=O)[C@H]1C(=O)c2cccc3c2N(CC3)C1=O)c1ccccc1 957743214 JNDSQNZDBSEXIO-MLGOLLRUSA-N 334.375 2.266 0 1 EEAF CCOC(=O)[C@@H](C(=O)COC(C)(C)C)[C@@H]1C=C[C@H](OC(C)=O)C1 5924657 UVHLJZLHSBNDJU-VNHYZAJKSA-N 326.389 2.058 0 1 EEAF NCCCC[C@H]1CNC(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 13662175 SBSKBGBESVABIY-FAKMSMKASA-N 347.503 2.049 0 3 EEAF CC(/C=C/C(=O)N[C@H](CO)Cc1ccc(O)cc1)=C\[C@H](C)CC(=O)O 15212938 PWIPPVISROQJBU-IXOAKNKVSA-N 347.411 2.025 0 1 EEAF Cc1cc(N2CCNCC2)nc(SCc2nc3ccccc3[nH]2)n1 169349044 JGWNIWBJAJWDPP-UHFFFAOYSA-N 340.456 2.363 0 1 EEAF CCCCn1nnnc1[C@H](C1CC1)N1C(=O)C(=O)c2ccccc21 206050926 IXXGSBQZOXKFJB-AWEZNQCLSA-N 325.372 2.154 0 3 EEAF O=C1O[C@@H](c2ccc(O)cc2)[C@@H](C(=O)O)C1=Cc1ccc(O)cc1 2356380902 VCGDDWQSRJLRHG-HOTGVXAUSA-N 326.304 2.480 0 1 EEAF CC(C)C(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] 3961904 HLKMVZQQFSBYIO-UHFFFAOYSA-N 336.216 2.242 0 1 EEAF O=C(NC1CCCCC1)C1=C(O)[C@@H](CCc2ccccc2)NC1=O 101435502 JKFKNCPODFBXRV-OAHLLOKOSA-N 328.412 2.379 0 1 EEAF CCCCOc1ccc(/C=C/C(=O)OCCS(=O)(=O)O)cc1 27656212 PHZSBCKPZJGFOD-RMKNXTFCSA-N 328.386 2.310 0 1 EEAF N[C@H](C(=O)N1Cc2ccccc2C1)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 28823771 GEMKNHBZBCPKAL-YHOMTUKYSA-N 326.440 2.187 0 1 EEAF CCn1ncc2c(NC3CCOCC3)c(C(=O)N3CCCC3)cnc21 42922547 NTBZUKLRRDKXKO-UHFFFAOYSA-N 343.431 2.278 0 1 EEAF O=c1cc(N2CCNCC2)c2ccc(OCc3cccnc3)cc2o1 49942648 RUNHKDDAAIZZNP-UHFFFAOYSA-N 337.379 2.177 0 1 EEAF C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NC1(C)CCCCC1 618013216 HWVWIUSQRATADH-JJRVBVJISA-N 344.459 2.033 0 1 EEAF CC(C)Oc1cc2c(cc1NC(=O)c1ccccn1)n(C)c(=O)n2C 653822859 WSXQKXWLZKPBRR-UHFFFAOYSA-N 340.383 2.312 0 1 EEAF O=C(O)c1cc(O)n(NCc2ccccc2Br)c1O 587940392 KDYOXZUFRMRNSS-UHFFFAOYSA-N 327.134 2.104 0 1 EEAF COC(=O)c1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2n1 587041847 GUHPHCDIEFFWCB-LLVKDONJSA-N 348.428 2.365 0 1 EEAF CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)CN1 587798081 UHKFIXLSIYXXJZ-AYVTZFPOSA-N 339.208 2.394 0 1 EEAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nncc(O)n1 587661890 SUHCDNHJAOTVCO-UHFFFAOYSA-N 335.298 2.082 0 1 EEAF Cc1cc(F)c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2c1 586930290 PVTAKBRCJMQRCG-UHFFFAOYSA-N 333.388 2.443 0 1 EEAF O=C(O)CSc1ncccc1-c1nc2c(C(=O)O)cccc2[nH]1 586968618 PLWLQBSYNDZING-UHFFFAOYSA-N 329.337 2.500 0 1 EEAF CC(C)(C)O[C@@H]1C[C@]2(N[C@H]3Cc4c2ccnc4C3=O)[C@@H]1n1cccn1 963288563 DLIIPADDWGKVSI-FCZZECIWSA-N 338.411 2.013 0 1 EEAF Cc1[nH]nc2c1[C@@H](c1ccc(F)c(F)c1)c1c(O)nc(O)nc1O2 1772585036 QIMOSJIYZCZLKA-SNVBAGLBSA-N 332.266 2.483 0 1 EEAF CCN(CCNC(=O)Cn1cc2c(n1)CCCC2)c1ccccc1 4917909 QXBMUUXBLZDAEY-UHFFFAOYSA-N 326.444 2.405 0 3 EEAF N=c1c(C(=O)Nc2ccc3ccccc3c2)[n+]([O-])c2ccccc2n1O 100303869 IAWCOGROIBOTOC-UHFFFAOYSA-N 346.346 2.397 0 1 EEAF in-vitro CC(=O)Nc1ccc2c(c1)-c1ccc(NC(C)=O)cc1S2(=O)=O 26181821 SCRCGVWGPVKSJU-UHFFFAOYSA-N 330.365 2.417 0 1 EEAF COc1cc(Cc2c(N)nc(N)nc2C(C)C)cc(OC)c1OC 27622065 FHZLEVIYCGZFDY-UHFFFAOYSA-N 332.404 2.381 0 1 EEAF COc1cc(C=CC(=O)NCC(=O)c2ccc(O)cc2)ccc1O 2356675309 QIPDEXHJCVHMKQ-UHFFFAOYSA-N 327.336 2.119 0 1 EEAF COc1cc([C@@H]2Oc3c(OC)cc(CCO)cc3[C@H]2CO)ccc1O 2356754920 TXHGJKUVNPUSLN-KDOFPFPSSA-N 346.379 2.154 0 1 EEAF Cc1ccc(Cn2c(=O)[nH]c3c(N)nc(-c4nc(C)co4)cc32)cn1 71316361 WKNCPEMDEPQBEC-UHFFFAOYSA-N 336.355 2.022 0 1 EEAF CO[C@@H]1[C@H](C)CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40899533 NOVHLOPMNWBHNB-MEBBXXQBSA-N 338.795 2.311 0 1 EEAF CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1CC(=O)Nc1cccc(O)c1 25427586 GJGAAOSUBHQAJS-CHWSQXEVSA-N 340.445 2.029 0 1 EEAF biogenic C=CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(OC(C)C)cc2)C1 618017710 OFLJGQLJFCNTCF-ZDUSSCGKSA-N 338.429 2.208 0 1 EEAF CN1CCN(c2ccc3[nH]c(-c4cccnc4N(C)C)nc3c2)CC1 587195950 PZGXPQWAQDQXJQ-UHFFFAOYSA-N 336.443 2.443 0 1 EEAF COc1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cn1 587193950 JTLZMBUSIGDMMV-LLVKDONJSA-N 349.435 2.484 0 1 EEAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccn(C)n1)[C@@H](C2)C3=O 587430789 HAUZSMUIJLFVKU-PKOVIFDQSA-N 339.395 2.147 0 1 EEAF Cc1c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)oc2c1[C@H](O)CCC2 586903210 HOUFSEIAOGPZMR-CYBMUJFWSA-N 336.355 2.477 0 1 EEAF Oc1nc(O)c2nc(-c3ccccc3OCc3cscn3)[nH]c2n1 587029132 ILEPQXDCZFNYTN-UHFFFAOYSA-N 341.352 2.467 0 1 EEAF CC(C)=C1C[C@@](CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O 1772630778 RRGGCASWPGLJTK-LJQANCHMSA-N 343.379 2.350 0 1 EEAF COc1cccc(-c2cc(C(F)(F)F)nc(-n3nnnc3C)n2)c1 3909587 ZBSQLGXOCPDPAO-UHFFFAOYSA-N 336.277 2.455 0 1 EEAF COc1ccc(Cc2c(N)nc(-c3ccccn3)nc2N)c(F)c1 68267941 KXGAKOHPEZTSFF-UHFFFAOYSA-N 325.347 2.442 0 1 EEAF CCCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc3snnc3c2)C1 61904616 UPQHJSUTLMIYQI-INIZCTEOSA-N 332.429 2.070 0 3 EEAF CCC[C@@H](C)NC(=O)[C@H]1CNCCN1C(=O)CCCc1ccccc1 45228071 ODTQJVYQCAEIPZ-SJLPKXTDSA-N 345.487 2.115 0 1 EEAF C[C@H](NC(=O)OC1CCCCC1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 251749412 QTOGVWKNZNBBNK-CYHVGBIXSA-N 332.400 2.198 0 3 EEAF O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2cccnc2)no1 587652234 AHPQQACXJJOJNV-UHFFFAOYSA-N 325.715 2.484 0 1 EEAF O=S(=O)(CCc1nc2cccnc2[nH]1)c1ccc2c(c1)CCC2 586922281 KVZKGUZWDGAPST-UHFFFAOYSA-N 327.409 2.463 0 1 EEAF CCOC(=O)[C@H]1CCCN(c2cc(C(=O)O)c3cc(N)ccc3n2)C1 21715350 RAUQPIHROFMUCD-NSHDSACASA-N 343.383 2.295 0 1 EEAF CC(C)C(=O)Cc1c(OC[C@@H](O)C(C)(C)O)ccc2ccc(=O)oc12 5358843 DMSHDRKZHASQRO-MRXNPFEDSA-N 348.395 2.071 0 1 EEAF endogenous,in-man CN(C(=O)C(=O)O)c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12 27524085 IGHKZKMBHHFEDF-UHFFFAOYSA-N 331.111 2.220 0 1 EEAF CN(C)CCCNCc1ccc2c(n1)N(C)c1ncccc1N2C 28094697 OBPRZXBWQSIXBM-UHFFFAOYSA-N 326.448 2.367 0 1 EEAF COC(=O)C=CNC(=O)c1cc2c([nH]c3ccccc32)c([C@@H](C)O)n1 2356428771 WZPSGPNOBZBZCX-SNVBAGLBSA-N 339.351 2.186 0 1 EEAF COCc1cc(C[C@@H]2CC[C@H](O)[C@H](CNC3CCCCC3)O2)no1 2356509935 HLWZPTFDGGLTTF-SZMVWBNQSA-N 338.448 2.194 0 1 EEAF CC1=CC[C@H](OS(=O)(=O)O)[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 2356649515 OWJMDQVDMYDESK-VPLWTHEFSA-N 330.402 2.118 0 1 EEAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC(O)C1 144702711 XJESHOCWAIMANM-KRWDZBQOSA-N 349.308 2.282 0 1 EEAF CCOC(=O)c1cnn(C(=O)c2csc(-c3ccccc3)n2)c1N 98082835 YZVDSTUGNPKSMS-UHFFFAOYSA-N 342.380 2.454 0 1 EEAF CC(C)N1[C@@H](Cn2cccn2)C[C@H]2CN(C3CCOCC3)CC[C@H]21 299843910 ZOPCGBRUJDYMMG-QXAKKESOSA-N 332.492 2.235 0 1 EEAF COC12CC3C[C@@H](C1)C(NC(=O)c1cnn4cc(C)cnc14)[C@@H](C3)C2 653795355 LRGMMTLUJJEESC-QABYGRRUSA-N 340.427 2.361 0 1 EEAF CCOC(=O)N1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](OC)C1 587396933 XMEBPWBRSHXFSN-MAUKXSAKSA-N 348.399 2.158 0 1 EEAF COC(=O)c1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cn1 587118967 VJEPMJHJDWYWKG-UHFFFAOYSA-N 325.250 2.164 0 1 EEAF COC(=O)c1ccnc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc12 587118010 IFLKXJSIGDEJJX-UHFFFAOYSA-N 339.277 2.203 0 1 EEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)cnc2[nH]1 586944890 PSCZKHGNALUZPG-UHFFFAOYSA-N 340.792 2.229 0 1 EEAF O=C(c1cnccn1)N1CCC2(CCCN(c3ccccn3)C2)CC1 3956251 DLBZERVWAZGSGP-UHFFFAOYSA-N 337.427 2.394 0 1 EEAF N#Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1 13195743 NVTLLURFGQHFPX-HNNXBMFYSA-N 330.365 2.053 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@@H]3C[C@@H](C[C@@H]12)OC3=O 104370910 QEANLIISUSNNDX-AXBIIFAESA-N 344.363 2.383 0 1 EEAF in-man Cc1ccc(N2CCN(CCNC(=O)c3ccco3)CC2)c(C)c1 28471300 JWVDGPBTXDCPOB-UHFFFAOYSA-N 327.428 2.448 0 1 EEAF O=C1Oc2ccccc2[C@H](O)[C@@H]1Cc1c(O)oc2ccccc2c1=O 26501582 OCFKRQNGSJRUCD-LRDDRELGSA-N 338.315 2.310 0 1 EEAF CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4ccncc4)cc32)N=C1N 95605318 XFVFKAMOKMDRPU-LJQANCHMSA-N 336.395 2.292 0 1 EEAF Cn1cc(CN2C[C@H]3CCC[C@@H](CNc4ncccn4)[C@@H]3C2)cn1 299842120 DIHJTBUJFPPXQX-BBWFWOEESA-N 326.448 2.170 0 1 EEAF Cc1c(-c2nc3c(N)ncnc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074358 TZHURKSOETXVJU-UHFFFAOYSA-N 340.778 2.204 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncnc2N)N1 587746619 MYJVEFWEMNSBRG-FUXBKTLASA-N 337.196 2.584 0 1 EEAF CCN(CCN(C)C)C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2 5083558 RWCDEBUGRIQNTE-UHFFFAOYSA-N 342.443 2.161 0 3 EEAF CC(C)N1C(=O)N(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)[C@H]2C=CC=C[C@H]21 1857604064 RBZWLTFAHPUPNO-VEDBGLOESA-N 344.459 2.330 0 1 EEAF COc1ccccc1C(=O)N1C[C@H]2C[C@H]1C(=O)Nc1ccccc1O2 2356359610 ORONMZIGZLSNQX-DOMZBBRYSA-N 338.363 2.309 0 1 EEAF COC[C@@H]1CCCN1C(=O)c1c(-c2cccnc2)noc1[C@H](C)O 2356302802 BYJWWMWOBWJEDB-AAEUAGOBSA-N 331.372 2.041 0 1 EEAF CC[C@H]1OC2(CCN(CCc3c[nH]c4ccccc34)CC2)CNC1=O 27984875 RUQIRXLHSREWNG-GOSISDBHSA-N 341.455 2.470 0 1 EEAF C[C@H](C[C@@H](C)C(=O)N1c2ccc(Cl)cc2C[C@H]1C(=O)O)C(=O)O 28263075 SXMFIYZCFSMHDJ-KKFJDGPESA-N 339.775 2.429 0 1 EEAF COc1ccc([C@H]2CC(=O)CCC23C(=O)OC(C)(C)OC3=O)cc1 28893285 MSZKPMLDUHAMLS-CQSZACIVSA-N 332.352 2.354 0 1 EEAF CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 45389827 DEYYOODJFKARJB-HNNXBMFYSA-N 344.459 2.014 0 1 EEAF Cc1ccoc1C(=O)N1C[C@H]2COC[C@@]2(COCc2cccnc2)C1 299841704 CDLILKAKAPITJK-LPHOPBHVSA-N 342.395 2.288 0 1 EEAF Nc1ncc(Cl)nc1-c1nc2c(Br)ccnc2[nH]1 587086326 FVPYUJOGMKGQPX-UHFFFAOYSA-N 325.557 2.413 0 1 EEAF Oc1ncnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 587006197 ASQSRQAICPCWLC-UHFFFAOYSA-N 331.133 2.364 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nn2)N1 587761745 VMMTWNNBBAYZSH-UHLUBPPHSA-N 325.185 2.340 0 1 EEAF COc1cc(C)c(Cc2ccc3c(O)nc(O)nc3n2)cc1OC 587558667 CCADLQDKHLFWHX-UHFFFAOYSA-N 327.340 2.352 0 1 EEAF CCCCNc1nc(N)ncc1OCc1nccc(OC)c1OC 203553497 WATIQKNKFHABJQ-UHFFFAOYSA-N 333.392 2.262 0 1 EEAF O=C([C@H]1CCCN1C(=O)CC1Cc2ccccc2C1)N1CCCC1 12196 SUPHKXCIZNFXDF-GOSISDBHSA-N 326.440 2.405 0 1 EEAF CC[C@@H](C(=O)NC(C)C)n1c2ccccc2c2nc(=O)cc(C)n21 6795066 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342.395 2.262 0 1 EEAF CCN(CC)CCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C 4930650 OYAZMEQBDYUFQH-UHFFFAOYSA-N 340.427 2.091 0 1 EEAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](NCCNC(=O)c1ccccc1)C2 101505607 UPSHGSHERZLKSV-BJWYYQGGSA-N 345.443 2.158 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3C4=C(CCC[C@]4(C)CO)C[C@H]23)OC1=O 2356669698 KYSWLLSZOWOOGF-KJPHAFAOSA-N 346.379 2.141 0 1 EEAF COC(=O)c1ccc2nc(CO[C@@H]3CN(C4CCC4)C[C@@H]3F)[nH]c2c1 2356759100 JIEJGFUEBLVIGR-XJKSGUPXSA-N 347.390 2.441 0 1 EEAF COc1ccc2c(c1)[C@H]1C(C)=c3ccc(OC)c(OC)c3=CN1CC2 2356857158 SGYJMIXJDJFYLU-HXUWFJFHSA-N 337.419 2.234 0 1 EEAF NS(=O)(=O)c1ccc(NC(=S)OCCc2ccsc2)cc1 38377569 NXMUSVRWCFYOTJ-UHFFFAOYSA-N 342.467 2.352 0 1 EEAF in-vivo O=C1c2cc3c(cc2OCN1C1CCCC1)C(=O)N1CCC[C@@H]1O3 72175576 QWPOCAIKRIANLY-INIZCTEOSA-N 328.368 2.376 0 1 EEAF O=C(NN1C(=O)CCS[C@H]1c1cccc(O)c1)c1ccncc1 84632061 LKTBXCBHCUKSKA-INIZCTEOSA-N 329.381 2.096 0 1 EEAF CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCc3cccs3)n2)C1 82203483 XBNJALUNFNSIKA-CYBMUJFWSA-N 331.445 2.173 0 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EEAF O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Cl 169300490 ATWGPAAGZWQRJW-SQGLOQMVSA-N 342.782 2.038 0 1 EEAF NCc1cc(Oc2cccc(C(=O)N3CCc4cccnc43)c2)ncn1 1857574879 QJXYXAMHYVBIFZ-UHFFFAOYSA-N 347.378 2.326 0 1 EEAF O=C1C[C@@H](NC(=O)c2sc3cccc(Cl)c3c2Cl)C(=O)N1 1857582150 GQJDFUNHZMFVSN-ZCFIWIBFSA-N 343.191 2.353 0 1 EEAF Cc1ccccc1CN(C)C(=O)CCC1=NC(=C2N=CN=N2)NO1 1857596705 ZQOWGPZLTMOFDD-UHFFFAOYSA-N 326.360 2.288 0 1 EEAF CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(OC)c(OC)c1 103545442 ZGHVBLHGMLHMDC-SXWSKBOKSA-N 345.359 2.192 0 1 EEAF O=S1(=O)[C@H]2C[C@@H]3C=C[C@]2(CN1Cc1ccc(C(F)(F)F)cc1)O3 100478029 CSODECVVEJPHMG-MELADBBJSA-N 345.342 2.317 0 3 EEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Oc1ccccc1 100274606 LSSXITVLSRQODU-ZJMHZOEWSA-N 337.375 2.035 0 1 EEAF C[C@]1(CO)CC(=O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 2356681812 GXISQCNZGGOFKX-RLIOBEPESA-N 336.472 2.294 0 1 EEAF COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1 36384363 RDIUKHZKYWJQKB-GXTWGEPZSA-N 345.399 2.327 0 3 EEAF Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)c(O)c2ncsc21 35010321 BXQDKFFKMJSVKY-UHFFFAOYSA-N 349.799 2.284 0 1 EEAF CCOC(=O)C(=O)Nc1nc(-c2ccc(C(=O)OCC)cc2)cs1 40631836 NAGCCYAAMWUCRD-UHFFFAOYSA-N 348.380 2.488 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC[C@H]1[C@@]1(O[C@H]1C)[C@@H]23 49049909 NYHQYHWNIWLUDO-ULKXNHMISA-N 338.407 2.042 0 1 EEAF O=C(Cn1cnc2ccccc21)N[C@H](c1ccccn1)C1CC(O)C1 230582428 QKOGIIDQFWXSTC-MHVYXZCWSA-N 336.395 2.060 0 1 EEAF O=c1cc(-c2ccc3nn[nH]c3c2)[nH]c2c(-c3cccnc3)cnn12 653667423 HMCBBSFQRYJTDI-UHFFFAOYSA-N 329.323 2.023 0 1 EEAF COc1ccccc1CC(=O)c1nc2cc(S(C)(=O)=O)ccc2[nH]1 587932214 VUHNNOZJNYTKES-UHFFFAOYSA-N 344.392 2.400 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2scc3c2OCCO3)N1 962925617 WKVCJZXADLRBQB-GXFFZTMASA-N 335.356 2.347 0 1 EEAF C=CN1CC[C@H]([C@@]2(c3ccccn3)NCCc3c(C)ccnc32)C1=O 963094572 YROZGLFSQBLNOD-JXFKEZNVSA-N 334.423 2.166 0 1 EEAF COc1ncc(C)cc1[C@@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963521290 AYCSXTYHPQVYPY-BBRMVZONSA-N 328.368 2.101 0 1 EEAF CC(C)(C)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O 150192916 QNABCEIFFFLNEQ-HNNXBMFYSA-N 345.443 2.378 0 1 EEAF CCOc1ccc([C@H]2C[C@H](C3C(=O)N(C)C(=O)N(C)C3=O)N=N2)cc1 169689337 ZYGJXDBRGIWLED-CHWSQXEVSA-N 344.371 2.018 0 1 EEAF C[C@@H]1C(=O)O[C@@H]2[C@@H](C)C(=O)O[C@]12c1ccc(Br)cc1 4009266 NXMWSGLZVWSDCT-AGDUYDFTSA-N 325.158 2.399 0 1 EEAF Cn1cc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4o3)C2)cn1 2356428537 OUQMTCIAIIYQEL-CZUORRHYSA-N 330.363 2.300 0 1 EEAF CCN(C1CCCCC1)S(=O)(=O)CCNC(=O)c1ccccc1 4940856 BOAZUCSOPQDDBD-UHFFFAOYSA-N 338.473 2.401 0 3 EEAF COC1=C[C@]2(CC(OC)=C1OC)O[C@@]21COc2ccccc2C1=O 6018306 VPWNKBLLEAZSJZ-QZTJIDSGSA-N 330.336 2.208 0 1 EEAF C[C@H]1CCc2nn(CC(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)cc2C1 20415907 NHCFTVMVXOEOLS-YESZJQIVSA-N 346.519 2.492 0 1 EEAF CN1[C@H](C(=O)O)CS[C@@H]1c1csc(-c2cc(N)ccc2O)n1 103234750 LDJIJQFNXQGBBP-GXFFZTMASA-N 337.426 2.228 0 1 EEAF Cc1ccc(CC[C@H](C)NC[C@@H](O)c2ccc(O)c(C(N)=O)c2)cc1 27740170 AFPUMQIMYZURNH-IFXJQAMLSA-N 342.439 2.444 0 1 EEAF CN(C)CCN1C(=O)COc2cc(NC(=N)c3cccs3)ccc21 113972605 CRJHJFJTZNXGPF-UHFFFAOYSA-N 344.440 2.473 0 1 EEAF Cn1cc(CNC[C@@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)cn1 2356763409 HOIHBWUSOYVJSW-MRXNPFEDSA-N 341.390 2.111 0 1 EEAF CC1(C)Oc2cc(O)c3c(=O)c4ccccc4[nH]c3c2C(=O)[C@H]1O 13307717 CREPQPLYKBVVSR-QGZVFWFLSA-N 325.320 2.102 0 1 EEAF biogenic C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2Cl)n1 45289758 HRHQMKIXYWKXST-CYBMUJFWSA-N 346.862 2.017 0 1 EEAF CCOC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(F)cc2n1O 377845788 RGYXQXRTQFRZKU-UHFFFAOYSA-N 339.196 2.267 0 1 EEAF N=c1[nH]cc2nc(-c3cc4cnccc4nc3C(F)(F)F)nc-2[nH]1 587116131 PDQGFIMJHGQVIU-UHFFFAOYSA-N 331.261 2.346 0 1 EEAF CCOC(=O)Cc1ccc2nc(-c3cnc(N(C)C)nc3C)[nH]c2c1 587194976 PRYNUUSUMHMTSS-UHFFFAOYSA-N 339.399 2.500 0 1 EEAF Cc1ccccc1N1CCN(CCCCN2CSCC2=O)CC1 13759353 TZUNRCMCHCTVRE-UHFFFAOYSA-N 333.501 2.430 0 1 EEAF OCC[C@H](N=c1nc(-c2ccncc2)[nH]c2cnccc12)C(F)(F)F 1857603896 IAZHZBCGXPBBTK-ZDUSSCGKSA-N 349.316 2.234 0 1 EEAF O=C(CN1CCN(c2ccccc2)CC1)Nc1nc2ccccc2[nH]1 1857753383 NTWWCRGDHUOYJS-UHFFFAOYSA-N 335.411 2.324 0 1 EEAF Nc1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)[nH]n2)cc1 3817813 QFLOEOVVFKHAFI-UHFFFAOYSA-N 329.385 2.050 0 1 EEAF CCOC(=O)Cc1c(C)nc2cc(-c3ccc(C)cc3)[nH]n2c1=O 103907514 RHTQFXCILLIJQC-UHFFFAOYSA-N 325.368 2.412 0 3 EEAF COc1c2c(cc3oc(CO)cc(=O)c13)O[C@@H]1[C@H]2CCC[C@@]1(C)O 2356307893 BQKKVRYZINTZPY-UFMUVLMGSA-N 332.352 2.073 0 1 EEAF COc1cc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc(OC)c1OC 103230658 DJIVYOZJUUNZBB-WDNDVIMCSA-N 335.400 2.494 0 1 EEAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1N1C=NC=CN1 27864503 KHRPEASUIFHHPT-OAHLLOKOSA-N 341.415 2.191 0 1 EEAF C[C@@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3c(N)ccc4ncsc34)C(=O)[C@@H]12 29126841 WEVBOOVUWCNCML-BRTARUFTSA-N 343.408 2.326 0 1 EEAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(C)c(F)c2)C1 61902794 WXMXOZXVLVGMME-SFHVURJKSA-N 336.407 2.139 0 3 EEAF COC(=O)c1cccc(C[S@@](=O)c2nc3ccccc3[nH]2)c1N 28228164 PVDXOJFOXKFYAL-QHCPKHFHSA-N 329.381 2.240 0 1 EEAF c1nc(-c2n[nH]c3ccc(-c4cn[nH]c4)cc23)cc(N2CCOCC2)n1 225528982 SBYFSTORQNPBFZ-UHFFFAOYSA-N 347.382 2.247 0 1 EEAF Nc1nn2cccnc2c1-c1cc(OCc2ccc(F)cc2)ncn1 45261273 ORAFRUSBDQFMFV-UHFFFAOYSA-N 336.330 2.487 0 1 EEAF COc1cc2c(c(OC)c1OC)[C@@H](O)O[C@H]1CC=C3CCN(C)[C@@H]3[C@H]21 95884421 MNAREALDHXFRFJ-YIYSPXCVSA-N 347.411 2.220 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccccc1C(=O)O)O2 587408998 SNFIWNJVFLGBPH-SFHVURJKSA-N 341.319 2.221 0 1 EEAF Oc1nncc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587120341 ZCOPLOINCKJZLA-UHFFFAOYSA-N 338.293 2.201 0 1 EEAF O=C(O)c1cccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 587128901 SPYXTUOFJPTJER-UHFFFAOYSA-N 330.254 2.303 0 1 EEAF N[C@H]1Cc2c(Cl)cccc2[C@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962904580 WDAGVMZBZXNWMT-BQFCYCMXSA-N 346.789 2.205 0 1 EEAF NC(=O)Cc1cn(Cc2ccccc2)c2cccc(OCC(=O)O)c12 13445816 RDUHHFIVZOZSHO-UHFFFAOYSA-N 338.363 2.181 0 1 EEAF CSc1cccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4564545 HYHXJTDNEZXOGE-CJXOWJITSA-N 342.420 2.154 0 1 EEAF CC=C1CO[C@H](O)[C@@H]2C(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C[C@@H]12 2356413756 JQVUCRZIEKITEM-KJNPBUOASA-N 338.407 2.352 0 1 EEAF CC(=O)Oc1cccc([C@@H](C)n2cnc3c(N(C)C)ncnc32)c1 29552117 VSRUPZFMTACYEZ-LLVKDONJSA-N 325.372 2.427 0 1 EEAF COc1ccc(CNCCCNCc2ccc(OC)c(O)c2)cc1O 73199832 OAFONHMFHMZDCO-UHFFFAOYSA-N 346.427 2.385 0 1 EEAF CCOc1cc(OCCN(C)C)nc(NCCCOC(C)C)n1 40876381 WKONIARZIOYCMA-UHFFFAOYSA-N 326.441 2.043 0 1 EEAF Cc1cnc(N(C)CCN(C)C)nc1NCCc1ccc(O)cc1 82202327 YHNANKDWNWXWMZ-UHFFFAOYSA-N 329.448 2.143 0 1 EEAF O=C(CCc1nnc2n1N=C(Cl)CS2)c1nc2ccccc2[nH]1 95590066 MMQVLAGJPKJUSH-UHFFFAOYSA-N 346.803 2.476 0 1 EEAF C[C@H]1CC(=O)NCC/C=C\C[C@@H](c2ccc3c(c2)OCO3)NC1=O 95665142 GKMKZNOOFURFIF-GLKJWWJJSA-N 330.384 2.065 0 1 EEAF O=S(=O)(c1ccc(Cl)c(-c2nc3cnncc3[nH]2)c1)N1CCC1 586955684 SBLPOUMJJBQKFT-UHFFFAOYSA-N 349.803 2.068 0 1 EEAF COc1cc(C)c(O)n1-c1cc(C(=O)O)ncc1Br 587939414 DNQOYZXBWNLVIV-UHFFFAOYSA-N 327.134 2.356 0 1 EEAF CCc1nn(C)c(OC)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433590 ZJLTYXYKBFWEAM-PIGZYNQJSA-N 328.368 2.488 0 1 EEAF O=C1CCc2cc3nc(CSc4cccc[n+]4[O-])[nH]c3cc2N1 586968746 ISVPMSSKGBTJQU-UHFFFAOYSA-N 326.381 2.373 0 1 EEAF O=C(NCc1ccc(F)cc1)[C@H]1CC[C@@H](c2ccccn2)NC1=O 209074951 PACMYYQTBCRONV-ZBFHGGJFSA-N 327.359 2.104 0 1 EEAF CC=C[C@@H]1Oc2ccc(OC)cc2N2C(=O)[C@H](C)[C@H](OCOC)[C@@H]12 1857623270 BSKPAPARTCMSGM-BEMMVCDISA-N 333.384 2.373 0 1 EEAF O=C(CN1CCN(Cc2ccccc2F)C1=O)NCc1cccs1 428434 ZIVFMBKBBNRPCR-UHFFFAOYSA-N 347.415 2.441 0 3 EEAF CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1OCC 27101801 STZJRFWCENXOFU-UHFFFAOYSA-N 332.404 2.428 0 1 EEAF C[C@]12[C@@H](C[C@H]3C[C@H]1C(=O)O3)[C@@H]1C[C@@H](c3ccoc3)O[C@@]13C[C@H]2OC3=O 2356490939 ZUORJPZGFYNDHW-MNASIXLOSA-N 344.363 2.383 0 1 EEAF CC1(C)[C@H](O)C(=O)C[C@@]2(C)[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@](O)(CO)C3 2356541157 PDTSXGBDZWSUTI-YILKWNGYSA-N 336.472 2.292 0 1 EEAF COC(=O)c1ccccc1OCC(=O)NCCc1ccccc1F 7096926 ABFVYXJNEGIMNB-UHFFFAOYSA-N 331.343 2.350 0 1 EEAF biogenic O=C1CC[C@H](C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)NN1 213736168 KRFVWXBCPDARBM-CYBMUJFWSA-N 342.424 2.021 0 1 EEAF CCCNC(=O)C1=C(C)C(=O)OC12CCN(Cc1ccccc1)CC2 71928337 SBFYGKZXMUXMGV-UHFFFAOYSA-N 342.439 2.421 0 1 EEAF Cc1ccc(CN(C)C(=O)[C@@H]2NNC(=O)[C@@H]3CCCC[C@@H]32)c(C)c1 618014202 JLSKKBLGCHHLMN-GVDBMIGSSA-N 329.444 2.071 0 1 EEAF COC(=O)CN1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)OCO2 473131818 PIUKNEXPHWYYNS-QGZVFWFLSA-N 340.335 2.155 0 1 EEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(Cl)nc2[nH]1 586951714 WCQWLFFYKUXWGD-UHFFFAOYSA-N 343.821 2.415 0 1 EEAF CN(C)c1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)ccn1 587651654 CFOZFJDCHUGJHN-UHFFFAOYSA-N 328.759 2.199 0 1 EEAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cnccc2[nH]1 587204233 WPBGLJBHYATKSK-ZDUSSCGKSA-N 340.339 2.400 0 1 EEAF CCOC(=O)[C@@H]1CSCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454340 WGXUUMDOOZLOEY-FHSNZYRGSA-N 348.420 2.498 0 1 EEAF COC(=O)c1ccc([C@@H]2NCCc3c(C(=O)O)cccc32)c(OC)c1 963120407 HNQAIIVPWTXZSV-QGZVFWFLSA-N 341.363 2.415 0 1 EEAF CO[C@H](C(=O)O[C@H]1C(=O)N2CC[C@@H]3CC[C@H]1[C@@]32C)c1ccccc1 5811276 XTAGYWVBMDSJKJ-POORBHPNSA-N 329.396 2.317 0 1 EEAF c1ccc(CSc2nc(N3CCOCC3)c3cn[nH]c3n2)cc1 5974587 STXDNEMQKPFFFE-UHFFFAOYSA-N 327.413 2.482 0 1 EEAF CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)CC/C=C/Cc2ccccc21 169302445 LBRGXKIEUSFACK-JDDKEMAESA-N 330.380 2.463 0 1 EEAF CNC(=O)C(C)(C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 206689763 MCPHMDWLQZSXPI-UHFFFAOYSA-N 331.416 2.002 0 1 EEAF c1cncc(CN2CCN(Cc3cccnc3)[C@H](Cn3ccnc3)C2)c1 1857614308 WHMJYYFMUVBLOT-FQEVSTJZSA-N 348.454 2.060 0 1 EEAF N#Cc1cc(CS(=O)(=O)Nc2ncc(Cl)cc2O)cs1 222864071 ZMMUPCNDEZHFIG-UHFFFAOYSA-N 329.790 2.316 0 1 EEAF O=c1c2cc3c(cc2[nH]c(=S)n1CCCN1CCCC1)OCO3 2974093 QJABFRZZAIDXNH-UHFFFAOYSA-N 333.413 2.274 0 1 EEAF CN1C[C@@H](COCc2ccccc2)Oc2ccccc2S1(=O)=O 61944815 DIRZBEGECLKOSE-HNNXBMFYSA-N 333.409 2.285 0 3 EEAF O=C1C[C@@H]2S[C@H]3C[C@@]24C[C@H]1N1CCc2c[nH]c5c(O)c(c4c1c25)N3 2356795190 IKRQYQYOIQYWRO-JWCGUGGMSA-N 339.420 2.476 0 1 EEAF N[C@H]1CCN2C(=O)c3cc(C=Cc4ccc(O)cc4)ccc3NC(=O)[C@H]12 2356837306 LJCRXTUZYVQQAS-WMZOPIPTSA-N 349.390 2.057 0 1 EEAF COC(=O)CCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 35033692 NVPXDWFXBCBRSO-LBPRGKRZSA-N 346.383 2.348 0 1 EEAF Fc1cnc(N2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)nc1 96070010 NWMCATCDZVOFFK-MSOLQXFVSA-N 342.418 2.138 0 1 EEAF O=S(=O)(C[C@@H]1NCCc2ccccc21)NCc1ccc(F)cc1 96019116 KHGOOLAVYCVYIU-KRWDZBQOSA-N 334.416 2.132 0 3 EEAF Cc1nnc(N2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@H]32)s1 299843108 MKQFJWSUCQPZDU-RBSFLKMASA-N 332.429 2.195 0 1 EEAF CC(C)[C@](C)(O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586885856 DICJJRRRBLHGFA-KRWDZBQOSA-N 327.388 2.486 0 1 EEAF O=C(c1ccco1)N1CCC2(CC1)NCCc1nc3ccccn3c12 962984819 NWSQGFFRWTZXAB-UHFFFAOYSA-N 336.395 2.205 0 1 EEAF CCN(C(=O)c1cnc(C)nc1NCc1ccco1)[C@@H]1CCCNC1 1772569750 GCBMAJYEAKERQU-CQSZACIVSA-N 343.431 2.204 0 1 EEAF Cc1cccc2c1[C@]13O[C@H](C)[C@]4(C)C[C@@H]5OC(=O)[C@@]1(C)[C@@H]5[C@]34C(=O)O2 5954886 LQWKCEWXDVNHSN-SFIIIIMJSA-N 340.375 2.486 0 1 EEAF COc1cccc(N2CCN(CCCCN3CSCC3=O)CC2)c1 13759348 XIRFEUQHJWCXCM-UHFFFAOYSA-N 349.500 2.130 0 1 EEAF COc1ccc2c(c1)C[C@@H](Nc1nc(N)nc(N3CCCCC3)n1)C2 13800837 UPHUNEXJOGSURX-AWEZNQCLSA-N 340.431 2.032 0 1 EEAF NC(=O)c1nn(-c2ccc(-c3ncc[nH]3)cc2)c2c1ccc1[nH]ncc12 14945808 BOZVGXNLCSPBQV-UHFFFAOYSA-N 343.350 2.391 0 1 EEAF O=C(NC[C@@H]1CCCO1)[C@H]1c2ccccc2C(=O)N1Cc1ccco1 427244 IOGPNAUETBLASO-SUMWQHHRSA-N 340.379 2.272 0 1 EEAF CC[C@H]1CCCCN1CCCNC(=O)CNC(=O)c1cccs1 2922981 IXBHDRHECUNDIJ-AWEZNQCLSA-N 337.489 2.249 0 1 EEAF CC=C1[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4C[C@@H]([C@@H]2CO)N3[C@H]1O 2356720804 KKBTYLUGDNWYDI-BRHWJWFTSA-N 340.423 2.351 0 1 EEAF COC(=O)c1c(C(F)(F)F)nn(-c2ccc(F)cc2)c(=O)c1OC 84652067 UQBUSJJTVUGHNI-UHFFFAOYSA-N 346.236 2.186 0 1 EEAF Cc1ccc(S(=O)(=O)Oc2coc3cc(O)cc(O)c3c2=O)cc1 49072427 VHRNBEHWNYPYLM-UHFFFAOYSA-N 348.332 2.280 0 1 EEAF CN(CC(=O)N1CCCCC1)C(=O)c1coc(-c2cccs2)n1 82085731 RVCGUZMBDCDJMB-UHFFFAOYSA-N 333.413 2.488 0 1 EEAF Cc1cnc(-c2cnn3c(=O)cc(-c4ccc5c(c4)OCO5)[nH]c23)o1 143436026 JCVKFWNRNHOVCO-UHFFFAOYSA-N 336.307 2.382 0 1 EEAF C/C=C1\[C@@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4C[C@@H]([C@@H]2CO)N3[C@@H]1O 238784812 KKBTYLUGDNWYDI-YUZARPEKSA-N 340.423 2.351 0 1 EEAF C[C@@H](C(=O)O)c1cc2c(O)nc(O)nc2nc1-c1ccccc1F 587368015 GJDBXRPTQNOTFH-SSDOTTSWSA-N 329.287 2.430 0 1 EEAF Cc1nc2[nH]c(C3=C(N)C(C)(C)OC3=O)nc2cc1Br 587253415 HMMOKTWAGAIFFP-UHFFFAOYSA-N 337.177 2.034 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(N)=O)[C@@H](C2)C3=O 587433825 WZMOFTDKFXJUKD-ORAYPTAESA-N 339.347 2.048 0 1 EEAF CCCCS(=O)(=O)N[C@H](c1nc2ccnc(O)c2[nH]1)C(C)C 586933089 MKEKYEKLLSPOGB-NSHDSACASA-N 326.422 2.080 0 1 EEAF COc1ccc2c(c1)[C@@H](CC(=O)O)c1cc3c(O)nc(O)nc3nc1-2 587561728 VNJNUEMVVRAUAD-SNVBAGLBSA-N 339.307 2.032 0 1 EEAF O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2ccc(F)cc2)C1 587369600 LPXPBKXURBMVSB-NSHDSACASA-N 325.299 2.222 0 1 EEAF N=c1[nH]c2nc(CCC(=O)Nc3cccc(F)c3)nc-2c(Cl)[nH]1 587161807 DUZLTLAMKTZMTF-UHFFFAOYSA-N 334.742 2.081 0 1 EEAF CN(C)c1ncnc(CNC(=O)[C@H]2[C@@H](c3ccc(F)cc3)C2(C)C)n1 1857757784 SFOJELKZLHFTKF-HUUCEWRRSA-N 343.406 2.133 0 1 EEAF CC(C)N1CNc2c(Nc3cccc(F)c3)nc(NCCO)nc21 100442823 JMELIUSKJZKWKX-UHFFFAOYSA-N 332.383 2.361 0 1 EEAF Cc1cccc(NC(=O)c2cc(=O)n(Cc3ccccc3)c(=O)[nH]2)c1 101654485 VTIDXNCGBIMCEZ-UHFFFAOYSA-N 335.363 2.146 0 3 EEAF CC(C)C[C@H](O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 28962024 FXEVKFYZRMILMZ-QGZVFWFLSA-N 348.443 2.174 0 1 EEAF COc1cc2c(cc1O)OC[C@H](c1cc3c(cc1O)OCO3)[C@@H]2O 2356856870 SEFIKYKGOWKGJE-BMLIUANNSA-N 332.308 2.045 0 1 EEAF CC(=O)c1c(O)c2c(c3c1OC(C)(C)[C@H](O)[C@@H]3O)OC(C)(C)C=C2 14616780 DHWMEIUMQKRKAS-CZUORRHYSA-N 334.368 2.344 0 1 EEAF biogenic NC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O 40873375 OTKCGYHRNLGGRC-UHFFFAOYSA-N 344.168 2.247 0 1 EEAF CCOc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1 45393682 OKSUQKCATVFMCK-UHFFFAOYSA-N 349.394 2.450 0 1 EEAF COCC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN(C)c2ccccc2)C1 20463460 ZXQUSLVUWKUZFI-HOTGVXAUSA-N 348.443 2.099 0 1 EEAF biogenic O=C(NC[C@@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)nc12 143337871 BMCFZLVWAMXZEH-LLVKDONJSA-N 341.440 2.416 0 1 EEAF Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)N[C@H]1CCCNC1 95579740 MBPQBSOJNLSBMQ-HNNXBMFYSA-N 349.456 2.297 0 1 EEAF Cc1ccc(S(=O)(=O)NC[C@@H](CN2CCC2)c2cccnc2)cc1 263614763 UHBVETPGYAJKTB-KRWDZBQOSA-N 345.468 2.158 0 1 EEAF in-vitro CN1CCN(c2ccc3[nH]c(-c4ccc(N(C)C)cn4)nc3c2)CC1 587194349 DPNJHZMGMPMNEL-UHFFFAOYSA-N 336.443 2.443 0 1 EEAF O=c1c2cc(Cl)ccc2cnn1C(=S)NCCc1ccccn1 587653708 FDGACMFGZMJRMV-UHFFFAOYSA-N 344.827 2.410 0 1 EEAF CN1C=C[C@]2(CC1=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587593056 IXBZJNNNTAVFEF-VQIMIIECSA-N 337.331 2.468 0 1 EEAF CCn1ncc(Br)c1-c1ccc2c(O)nc(O)nc2n1 587367297 VSTZHRJNJCRAJW-UHFFFAOYSA-N 336.149 2.082 0 1 EEAF CC(C)c1nn(C)c2c1[C@@](C)(CC(=O)Nc1ccccn1)NCC2 962915945 IIFFUBXIAFXHNU-GOSISDBHSA-N 327.432 2.328 0 1 EEAF O=S1(=O)CCOC[C@H](Cc2ccccc2)N1Cc1ccccc1 12478229 KYDBWOWHDNQQNB-SFHVURJKSA-N 331.437 2.460 0 3 EEAF CN1C(=O)c2c(Cc3ccccc3)nn(C)c2N2C1=N[C@@H]1CCC[C@@H]12 13776342 RRAGPFPILYFBOY-HIFRSBDPSA-N 335.411 2.194 0 1 EEAF C[C@@H](NCc1ccco1)C(=O)N1CCN(Cc2ccccc2F)CC1 201486177 XGYDCVUFBVFUGP-OAHLLOKOSA-N 345.418 2.241 0 3 EEAF COCC(=O)NCC1CCC(c2nnc(-c3cccnc3)o2)CC1 19593026 QOBMKJFOLKGVKH-UHFFFAOYSA-N 330.388 2.168 0 1 EEAF CN1CCN(C2CCN(c3cccc(Cl)c3)CC2)C[C@@H]1CCO 20820342 ZRYCVXMUHVDEHL-SFHVURJKSA-N 337.895 2.307 0 3 EEAF O=C1Nc2ccccc2Nc2nnc(I)cc21 63298570 IFQICUARAXVEIQ-UHFFFAOYSA-N 338.108 2.391 0 1 EEAF CNCCN1Cc2ccccc2N(c2ccccc2F)S1(=O)=O 49049563 IWHDPHKISOJDMA-UHFFFAOYSA-N 335.404 2.244 0 1 EEAF O[C@@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 49802633 HKIWVNOCBNBVAO-CEXWTWQISA-N 325.408 2.416 0 1 EEAF c1cc(Cn2ccc3ncc(N4CCNCC4)cc32)c2nonc2c1 43120271 GUJSFBBBLLQSHV-UHFFFAOYSA-N 334.383 2.030 0 1 EEAF O=C1N=c2ccc(F)cc2=C1c1[nH]c2ccc(Cl)cc2c1NO 140027949 OICKMHVWWFMSKM-UHFFFAOYSA-N 329.718 2.120 0 1 EEAF in-vivo O=C1N=NC(CNS(=O)(=O)c2cc(Cl)sc2Cl)=N1 618013183 FEDYTHMUHJAHCV-UHFFFAOYSA-N 327.174 2.318 0 1 EEAF Cc1cncc(C2CCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)n1 299850717 JBRFFOYHPUUCNW-UHFFFAOYSA-N 348.410 2.386 0 1 EEAF CCCCCc1cc(C(=O)N[C@H]2COc3ccccc3NC2=O)n[nH]1 653719906 KSXXLKPPWYRQCT-HNNXBMFYSA-N 342.399 2.272 0 1 EEAF CN1C=C[C@@]2(CC1=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587593049 IXBZJNNNTAVFEF-APWZRJJASA-N 337.331 2.468 0 1 EEAF Oc1nc(O)c2cc(Cc3cncc(Br)c3)cnc2n1 587366904 RPFFGUIGUPAQLA-UHFFFAOYSA-N 333.145 2.184 0 1 EEAF C[C@@H](OC(=O)Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 587555451 NVLPQXARSZSADT-SNVBAGLBSA-N 325.324 2.283 0 1 EEAF CNCCN1CCC(NCc2cccc(Br)c2)CC1 1772637960 ABDPRBUUKXKABU-UHFFFAOYSA-N 326.282 2.223 0 1 EEAF CN(C)C(=O)c1ccccc1NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2C 101227205 HCYYQRZLXJGERU-KBPBESRZSA-N 330.432 2.135 0 1 EEAF CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3cccc(O)c13)C2 101316612 CGNLROWYSDSBMN-STQMWFEESA-N 328.416 2.024 0 1 EEAF CCCN(CCCS(C)(=O)=O)[C@@H]1CCc2c(O)cccc2C1 28010680 REHXXYIOTYMGDS-OAHLLOKOSA-N 325.474 2.396 0 1 EEAF CCOC(=O)[C@@H](CNC(C)=O)c1cn(C(=O)OCC)c2ccccc12 27767842 GVGIXMDLOUUUEL-AWEZNQCLSA-N 346.383 2.429 0 1 EEAF O=C1C[C@H]2S[C@H]3C[C@@]24C[C@H]1N1CCc2c[nH]c5c(O)c(c4c1c25)N3 2356795188 IKRQYQYOIQYWRO-BJAFLNGCSA-N 339.420 2.476 0 1 EEAF Nc1ncnc2c1ncn2[C@H]1CC[C@@H](OCc2ccccc2)C[C@@H]1O 26574823 KQWZLGLYTXBCFX-ILXRZTDVSA-N 339.399 2.080 0 1 EEAF CN1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)nc(N)n2)CC1 40430885 YJPZFJVOZGZAIA-UHFFFAOYSA-N 327.476 2.278 0 1 EEAF Nc1ncnc2c1ncn2[C@@H]1CC[C@H](OCc2ccccc2)C[C@H]1O 40455361 KQWZLGLYTXBCFX-RRFJBIMHSA-N 339.399 2.080 0 1 EEAF C[C@@]12[C@@H]3C[C@@]4(O[C@H](c5ccoc5)C[C@H]4[C@@H]1C[C@@H]1C[C@H]2C(=O)O1)C(=O)O3 238768279 ZUORJPZGFYNDHW-JSLQZWNUSA-N 344.363 2.383 0 1 EEAF COC(=O)c1ccc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c2c1 586927919 ZNUISVIJYCASEW-UHFFFAOYSA-N 330.365 2.420 0 1 EEAF CCS(=O)(=O)NCCCc1nc2cc(Cl)nc(Cl)c2[nH]1 586942141 HICUQGLVINUWSS-UHFFFAOYSA-N 337.232 2.137 0 1 EEAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccccc1OC)[C@@H](C2)C3=O 587445182 ZSCQXNVLQFQWNT-ORAYPTAESA-N 340.331 2.431 0 1 EEAF CN(C)CCOc1ccc2nc(-c3cc(N)c(N)cc3F)[nH]c2c1 587136984 NJACGEQCPDKVBP-UHFFFAOYSA-N 329.379 2.474 0 1 EEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccnc(Cl)c2[nH]1 586951407 LUVDBGIGORRCNT-UHFFFAOYSA-N 343.821 2.415 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(OC)nc2[nH]1 587231096 LQNABEZJKAOWBP-VXGBXAGGSA-N 332.404 2.003 0 1 EEAF Cn1c(C(=O)O)cnc1SCC(=O)N1CCCc2ccccc21 957853798 MCLWJYZNSKYFLF-UHFFFAOYSA-N 331.397 2.190 0 1 EEAF CN1CCN(C[C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)CC1 962701055 JHHRAEGIQGWPKH-HNAYVOBHSA-N 349.519 2.478 0 1 EEAF O=C(c1ccc(O)cc1O)N1CCN(Cc2ccc(F)cc2)CC1 1857590745 DNXILXQZRRGGND-UHFFFAOYSA-N 330.359 2.195 0 1 EEAF Cc1cccc(C[C@H]2O[C@]3(C)O[C@@]24[C@H]([C@@H]3C)[C@@H](O)[C@H](O)C4(C)C)c1 1857600551 NDPVYKDORPXALK-YGFFHHMWSA-N 332.440 2.435 0 1 EEAF Nc1nc(N)c2nc(C(=O)c3ccccc3)c(-c3ccccc3)nc2n1 1563388 VGZGTXQZIBKACX-UHFFFAOYSA-N 342.362 2.482 0 1 EEAF CCOc1ccc2c(c1)=C(c1cccs1)NN=C(c1cccnc1)N=2 100485680 DDOCXAWEQBKWEY-UHFFFAOYSA-N 348.431 2.283 0 3 EEAF Cc1ncc(C(=O)N[C@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)c(CC2CC2)n1 101550365 VVKAWGAZJLUMCB-BVMZTISFSA-N 341.455 2.407 0 1 EEAF CCN1CC2(CCN(CCc3c[nH]c4ccccc34)CC2)OCC1=O 27996312 REVBORKBBSOPNG-UHFFFAOYSA-N 341.455 2.424 0 1 EEAF COC(=O)[C@]12O[C@H]3CC[C@](C)(c4ccccc41)[C@H]2[C@@]3(C)C(=O)OC 2356698601 DYMXMMCLVZEEAF-IRIMSJTPSA-N 330.380 2.314 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@H]([C@H](C)O)C[C@H](C1)[C@@H]23 2356781308 AYINTZJVMWGZAN-MAWZDORYSA-N 340.423 2.024 0 1 EEAF CC(=O)c1c(O)cc(O)cc1C[C@H]1Cc2cc(O)cc(O)c2C(=O)O1 15214958 YAAJRTVBAVFJQG-ZDUSSCGKSA-N 344.319 2.036 0 1 EEAF biogenic CO[C@@H]1[C@@H](C)CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 40899536 NOVHLOPMNWBHNB-ZUZCIYMTSA-N 338.795 2.311 0 1 EEAF COc1ccccc1NC(=S)N1CCO[C@@H](C2=CCCN(C)C2)C1 40879902 FLBPYDBQECBQLV-QGZVFWFLSA-N 347.484 2.355 0 1 EEAF COc1cc([C@H]2CC(=O)c3c(cc(O)c(OC)c3O)O2)c(O)cc1O 238783885 ZHUHDWWIWZKZRF-GFCCVEGCSA-N 348.307 2.233 0 1 EEAF COc1ccc(CNS(=O)(=O)C[C@H]2NCc3ccc(C)cc32)cc1 96020239 SPXZCZAICDPMJJ-GOSISDBHSA-N 346.452 2.268 0 3 EEAF C[C@H]1CCC[C@@H](C)N1CCCN1Cc2cccc(C(N)=O)c2C1=O 143617911 QKSNNWPLGOKMHZ-OKILXGFUSA-N 329.444 2.394 0 1 EEAF COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C 587429268 AQPQELQYAZKWII-PXAZEXFGSA-N 327.336 2.309 0 1 EEAF CCOC(=O)c1[nH]cnc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437802 JZDRYUAZOIVGAM-QLJPJBMISA-N 328.324 2.084 0 1 EEAF CCc1cc(O)nc(SCc2nc3ccc(C(=N)N)cc3[nH]2)n1 586967063 TUYRHSLGMIZBQS-UHFFFAOYSA-N 328.401 2.197 0 1 EEAF CC(C)(SCC(=O)O)c1nc2nc(Br)c[nH]c-2n1 586958788 IZHHPUZIHYVTMT-UHFFFAOYSA-N 331.195 2.120 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@H](C(=O)O)NC[C@@H]31)CC2=O 587479672 CPBQCRUBGWJRLB-LPRWPTITSA-N 345.395 2.131 0 1 EEAF CCCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 1857607204 KYTVZRVTJSHSTR-UHFFFAOYSA-N 338.371 2.489 0 1 EEAF O=C(O)COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O 1857650526 BLLXCQUOKSAFMA-UHFFFAOYSA-N 328.276 2.335 0 1 EEAF CCc1nn(-c2cc(Oc3ccccc3C)ncn2)c(N)c1C(N)=O 385170 XYKUBFHNXSKHCW-UHFFFAOYSA-N 338.371 2.007 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Cl)c1 2945151 KVTCHDSYFPESLK-VWLPUNTISA-N 342.782 2.038 0 1 EEAF O=C(c1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 3949770 XCPMCXPDLRIOJO-XUXIUFHCSA-N 333.457 2.238 0 1 EEAF CC(C)(C)c1ocnc1/C=C1\NC(=O)[C@H](Cc2ccccc2)NC1=O 113039853 ZJCGICOFZWMKFW-QTNMRXCUSA-N 339.395 2.170 0 1 EEAF COc1ccc2c(c1OC)[C@]13CCN(C)[C@H](C2)[C@]1(OC)CCC(=O)C3 29328172 QGIKYQZDVPIHNJ-NSISKUIASA-N 345.439 2.340 0 1 EEAF NC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(O)cc3)c2c1N 73223731 NEMWWYYQAACTEU-UHFFFAOYSA-N 341.396 2.319 0 1 EEAF COc1cc(OC)c([C@H]2COc3cc(O)cc(O)c3C2=O)cc1OC 14645834 DWYGHGCLIOYRFR-LLVKDONJSA-N 346.335 2.483 0 1 EEAF biogenic COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3)C2)cn1 45339936 KAOZZDOSJCXQAS-UHFFFAOYSA-N 337.383 2.247 0 1 EEAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(N)ncnc4[nH]3)cc2N1 587122190 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Oc1nc(O)c2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2n1 587075697 HAIIMYZEPIUQEI-SECBINFHSA-N 331.719 2.035 0 1 EEAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(O)nc(S)nc2[nH]1 587069963 NKXCQSRPYUHHKF-MRVPVSSYSA-N 335.820 2.286 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@H](O)OC2)N1 587829823 CMIJTAHEWOQDGD-WZYXQFPFSA-N 328.181 2.223 0 1 EEAF N=c1[nH]c2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)nc-2c(Cl)[nH]1 587043246 YGFMXPUUVRCZNK-ZJUUUORDSA-N 346.847 2.317 0 1 EEAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(OC)ncc2[nH]1)C(C)C 586932222 CIAJANNJYWTBGQ-CQSZACIVSA-N 340.449 2.383 0 1 EEAF COc1ccc([C@@H]2c3nn(C)cc3CCN2C)c2cc(C(=O)O)oc12 963953561 BCLCYMPFJKWPSW-MRXNPFEDSA-N 341.367 2.450 0 1 EEAF CC(C)Oc1cc2c(O[C@@H]3CCCNC3)nccc2cc1C(N)=O 1772581100 IGHCPQNSSZGPEV-CYBMUJFWSA-N 329.400 2.252 0 1 EEAF COC[C@H]1CCCN(C(=O)c2ccc(N3CCC(OC)CC3)nc2)C1 14976385 YOTRHALFHXEHQT-HNNXBMFYSA-N 347.459 2.195 0 1 EEAF CCc1ccc(NC(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1 1857653115 SDMONTDKVXKVIJ-UHFFFAOYSA-N 335.385 2.246 0 1 EEAF CC(C)N1CCC(Oc2ccc(C3=NNC(=O)[C@@H]4C[C@@H]34)cc2)CC1 103260405 ODCFXBPEVBNSRH-IAGOWNOFSA-N 327.428 2.408 0 1 EEAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCC(=O)O 2356595208 XHHYJZGDOMKLEE-BQJWPVKWSA-N 328.449 2.487 0 1 EEAF CC(=O)c1cc2c(C)cc(=O)oc2cc1OCCN1CCOCC1 71296100 WTCZROGVVHYLRI-UHFFFAOYSA-N 331.368 2.015 0 1 EEAF COc1cc(C=O)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2CO 14649990 GDDOKXKOOVEGQY-DYVFJYSZSA-N 328.320 2.446 0 1 EEAF biogenic Cc1ccc(OCCCCON2C(=N)NC(=N)NC2(C)C)cc1C 45211294 XSBOQDSHVBXIOC-UHFFFAOYSA-N 333.436 2.494 0 1 EEAF O=C(N1CCC(F)(F)CC1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 49055408 MGRDTAKKEOLNQM-HNNXBMFYSA-N 349.381 2.279 0 1 EEAF O=C(O)CCc1sc(/C=C2\NC(=O)CS2)nc1-c1ccccn1 95601814 FXCKSJPZDBQRLO-KPKJPENVSA-N 347.421 2.384 0 1 EEAF O=S(=O)(c1ccc(CO)cc1)c1ccc2oc3c(c2c1)CNCC3 147469874 LHYSOBMULHUTJH-UHFFFAOYSA-N 343.404 2.404 0 1 EEAF COc1cc2ncnc(-n3[nH]c(-c4ccccc4)nc3=N)c2cc1OC 653787985 AOIUVVGUSVLVNO-UHFFFAOYSA-N 348.366 2.307 0 1 EEAF CC(C)N1CC[C@H](NC(=O)c2ccc(OC3CCOCC3)cc2)C1 653762890 BGEFIJCSBARIIB-INIZCTEOSA-N 332.444 2.457 0 1 EEAF O=C1C[C@@]2(CCN1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587594066 KDCAOYJKBUCSRB-MAUKXSAKSA-N 325.320 2.003 0 1 EEAF C[C@H](Oc1ccc2c(c1)OCO2)c1ccc2c(O)nc(O)nc2n1 587562593 GZOBGDRQUTVPPT-QMMMGPOBSA-N 327.296 2.305 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1cnn(C)c1)O2 587391569 NIGIRTFXJHAICF-QGZVFWFLSA-N 329.356 2.036 0 1 EEAF CCS(=O)(=O)NCCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 586942951 UPYIMUFCXXITBQ-UHFFFAOYSA-N 337.779 2.366 0 1 EEAF CCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)cc(Cl)c3n2n1 13798610 HBDGKFWNFDPTMC-UHFFFAOYSA-N 327.127 2.054 0 1 EEAF CCNC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(SC)c1 169317318 GRTRYEGHJXMMKU-CYBMUJFWSA-N 341.477 2.288 0 1 EEAF CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CC2)c(=O)[nH]c1=O 6744822 MEMRFIARZURKCK-UHFFFAOYSA-N 326.396 2.357 0 1 EEAF COc1ccccc1CCc1nc(C)c(O)c(C(=O)O)c1C(=O)O 103241298 RONXHOZQKXTIQZ-UHFFFAOYSA-N 331.324 2.286 0 1 EEAF O=C(NC[C@@H]1COCc2nc3cc(F)ccc3n21)c1cccnc1 2356330804 AVIYXHVPRBJATI-CYBMUJFWSA-N 326.331 2.072 0 1 EEAF CC(C)n1nc(-c2ccc(C(N)=O)c(Cl)c2)c2c(N)ncnc21 64503429 NZELPIPZPVLYLT-UHFFFAOYSA-N 330.779 2.409 0 1 EEAF Cc1c(C(=O)NCc2ccccc2)[n+](=O)c2cc(F)c(F)cc2n1O 49112352 GUWGZWGKIAJMAI-UHFFFAOYSA-O 346.313 2.310 0 1 EEAF O=c1[nH]c2ccc(N3CCC[C@H](CO)C3)nc2nc1-c1ccccc1 82231649 QRHDLDWNVZYJDH-ZDUSSCGKSA-N 336.395 2.194 0 1 EEAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncccn2)n1 142128872 PMPXTMSUCDRGCA-NWDGAFQWSA-N 328.376 2.421 0 1 EEAF c1cnc(NC[C@H]2OC[C@H]3CCN(Cc4ccsc4)C[C@H]32)nc1 299843669 WCVANZALCXJPHE-BZUAXINKSA-N 330.457 2.487 0 1 EEAF COC(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2n1 587119277 VLUWOHPBKAWGLM-UHFFFAOYSA-N 339.277 2.203 0 1 EEAF COc1c(F)ccc(F)c1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587133222 PMVWEVPQSILQJQ-UHFFFAOYSA-N 328.282 2.492 0 1 EEAF CCOC(=O)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 586967044 RWWYZHZQJDQMAP-UHFFFAOYSA-N 346.368 2.233 0 1 EEAF CN(C)C[C@H]1CC[C@H](N2CNC(=O)c3c[nH]c4nccc-4c32)CC1 1772636476 UXZLCNQSQUXGBS-JOCQHMNTSA-N 327.432 2.142 0 1 EEAF CN1C(=O)[C@H](NC(=O)c2cc3cccc(N)c3[nH]2)Cc2ccccc21 13587920 KWLMSXADIVLIQI-OAHLLOKOSA-N 334.379 2.068 0 1 EEAF O=C(NC[C@@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1Cc1ccco1 427243 IOGPNAUETBLASO-GUYCJALGSA-N 340.379 2.272 0 1 EEAF F[C@@H]1CN(Cc2nccs2)C[C@H]1OCc1nc2cccnc2[nH]1 2356342138 JWGOKISWVATEGA-ZYHUDNBSSA-N 333.392 2.154 0 1 EEAF C[C@H](NC(=O)c1ccccc1)NC(=O)[C@H](C)C(=O)Nc1ccccc1 1857270 XYKCQPPBYPGXBC-KBPBESRZSA-N 339.395 2.153 0 1 EEAF O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3)c2s1 58582334 GWTZHGSOVZFFPA-AWEZNQCLSA-N 330.409 2.161 0 1 EEAF CCn1cnc2c(Nc3cccc(OC)c3)nc(NCCO)nc21 28097346 ICTQGRAXQKADGO-UHFFFAOYSA-N 328.376 2.003 0 1 EEAF CC(C=C[C@@H]1[C@](C)(O)[C@H](O)[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C)=CCO 2356523448 RMAJUEUHZWCNQM-ADXOPFBHSA-N 338.488 2.416 0 1 EEAF Cc1cccnc1CN1C[C@H](F)[C@@H](OCc2nc3cccnc3[nH]2)C1 2356678311 AGYSIGVVNHEYOY-BBRMVZONSA-N 341.390 2.400 0 1 EEAF Cc1cccc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCc2ccccn2)n1 64044138 GCVOZQBKKGPZEK-ZWKOTPCHSA-N 338.411 2.033 0 1 EEAF COC(=O)C1=CC(O)=C[C@H]2Oc3c(Cl)c(C)cc(O)c3C(=O)[C@@H]12 2356794079 HSRPMLAZSLQBEY-MNOVXSKESA-N 336.727 2.469 0 1 EEAF COc1cccc(CCN2CC[C@H]3CNCC[C@@H]3CC2=O)c1OC 2356844622 NXHNUUINGWBOEO-CVEARBPZSA-N 332.444 2.094 0 1 EEAF CC(=O)N(C)c1ccc(C(=O)CSc2nc(C)cc(O)n2)cc1 72109037 AQXNOPHVPVYVTH-UHFFFAOYSA-N 331.397 2.448 0 1 EEAF CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 39029983 AEKJCSNKYXWOAQ-INIZCTEOSA-N 344.459 2.014 0 1 EEAF in-vivo CC(C)(C)NC(=O)c1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1 43195432 CRSFIRRXKILWOY-UHFFFAOYSA-N 337.383 2.151 0 1 EEAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5cc[nH]n5)c4[nH]3)ccc21 143139111 WFNAILLJVSFJMJ-UHFFFAOYSA-N 345.366 2.449 0 1 EEAF C[C@H]1C[C@H]([C@H](O)c2ccccn2)C(=O)[C@@H]([C@@H](O)c2ccccn2)C1 253977215 AHKMRDPUGQRUPR-PRRIXCOJSA-N 326.396 2.475 0 3 EEAF C/C=C/C[C@H](O)C(=O)[C@H](C)CCC[C@@]1(C)CO[C@H](CC(=O)O)CO1 253853363 AHOVOJJBJRQBJK-DPGOCRGPSA-N 342.432 2.338 0 1 EEAF CC(C)COc1cccc(OCc2nc3c(O)nc(O)nc3[nH]2)c1 587566170 YXUPMRYGKRPMHC-UHFFFAOYSA-N 330.344 2.378 0 1 EEAF CCS(=O)(=O)NCCCc1nc2ccc(C(F)(F)F)cc2[nH]1 586942464 MAGGTXBFPDZGJB-UHFFFAOYSA-N 335.351 2.454 0 1 EEAF CSCC(C)(C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586969836 ZBKITTYWSNPIEA-UHFFFAOYSA-N 327.475 2.454 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cnn(C)c1)[C@@H](C2)C3=O 587430822 HJJWTGSKXKRPLD-SGTLLEGYSA-N 336.351 2.308 0 1 EEAF NS(=O)(=O)c1c[nH]c(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1 586929993 KIBSONIRSUBREY-UHFFFAOYSA-N 346.290 2.104 0 1 EEAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cnncc4[nH]3)n2)cc1 587112804 DCLFODJLVZJGJV-UHFFFAOYSA-N 346.276 2.074 0 1 EEAF N[C@@H]1Cc2c(Cl)cccc2[C@@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962904593 WDAGVMZBZXNWMT-LZLYRXPVSA-N 346.789 2.205 0 1 EEAF Cn1cc(Nc2ncc(Cl)c(N[C@H]3C[C@@H]4CNC[C@@H]4C3)n2)cn1 1772640109 VAOABFRDWMMAQU-URLYPYJESA-N 333.827 2.017 0 1 EEAF CC(C)NC(=O)C1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1 12712434 OKXMCTVGJJDWMV-UHFFFAOYSA-N 347.503 2.324 0 3 EEAF O=C(Nc1csc(COc2ccccc2)n1)NN1CCOCC1 13553612 YWUBNAGZPHZQOL-UHFFFAOYSA-N 334.401 2.091 0 1 EEAF C[C@H]1N(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@]1(C)N 27408918 VBCIDRUAFSBLGA-LZVRBXCZSA-N 345.374 2.100 0 1 EEAF CN1[C@H]2CC[C@@H]1CC(NC(=O)c1cc(O)cc3c1OC(C)(C)C3)C2 26940919 XDBKBIKMLNHPLX-AGUYFDCRSA-N 330.428 2.461 0 1 EEAF COc1cc(Nc2ncnc(Nc3cc[nH]n3)n2)cc(OC)c1OC 63539345 BFENEDRNBGYKMO-UHFFFAOYSA-N 343.347 2.108 0 1 EEAF Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2cccn2)n1 143095245 IADQSRNVKLRKOR-UHFFFAOYSA-N 345.410 2.461 0 1 EEAF O=C(OCCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cc(F)ccc1F 98082550 WWOVCLMQZMMMKA-TXEJJXNPSA-N 337.322 2.297 0 1 EEAF CC(C)c1ccc(N2C(=O)N[C@H]3CCN(C(=O)C4CC4)[C@@H]3C2=O)cc1 25410479 RUUSGCXOAXUTEX-HOTGVXAUSA-N 341.411 2.246 0 1 EEAF biogenic O=C(c1cccc(F)c1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 299842950 KWXBNDNOSIAQRY-HZPDHXFCSA-N 325.387 2.425 0 1 EEAF COc1ccc(CCC(=O)NC(=N)NCc2ccccc2)cc1OC 299824551 BBWZOTLOJDHDMZ-UHFFFAOYSA-N 341.411 2.477 0 1 EEAF COc1cc2c3c(c1)OC1(CCN(c4ncccn4)CC1)[C@@H](C2)C3=O 587438935 RZXFXKKQTCFFPS-AWEZNQCLSA-N 337.379 2.272 0 1 EEAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587260701 ZGTCFXXSACQDDA-JTQLQIEISA-N 349.316 2.318 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@H](O)OC2)N1 587829816 CMIJTAHEWOQDGD-GFWSLJDESA-N 328.181 2.223 0 1 EEAF COc1cc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2cc1F 586929083 ARMHKEPWIVXLSL-UHFFFAOYSA-N 349.387 2.143 0 1 EEAF CCc1cc([C@@H](O)CN2C(=O)c3ccccc3C2=O)c(OC)nc1C 5847599 FVBBILBIFFBYEP-INIZCTEOSA-N 340.379 2.291 0 1 EEAF Nc1[nH]c(=NCCc2cccnc2)nc2sc(-c3ccco3)nc12 1857635094 XFDJFLKGEUUOAG-UHFFFAOYSA-N 338.396 2.400 0 1 EEAF COc1ccc(CN2CCC(n3cc(C)c(O)nc3=O)CC2)cc1 1857744011 GMJGRVCIYRXSAK-UHFFFAOYSA-N 329.400 2.103 0 1 EEAF NCCCCCCN(CCCCCCN)[C@@H]1CSCCC1=O 13799497 HIUWIBPKSJERJX-MRXNPFEDSA-N 329.554 2.401 0 1 EEAF CNC(=O)Oc1cccc(-c2cn3cc(OC(=O)NC)ccc3n2)c1 387361 AKRALQQJEDBPAU-UHFFFAOYSA-N 340.339 2.438 0 3 EEAF CC(=O)N1c2ccccc2[C@@]23CCN4C[C@@H]5[C@H](C)OC[C@H]([C@H]12)[C@H]5C[C@H]43 6067076 BYQCMXYHBHKSQD-PPQAQFEMSA-N 338.451 2.418 0 1 EEAF biogenic O=C(COCc1cc(-c2ccc(F)cc2)on1)NC[C@H]1CCCO1 6736778 AMXWIMKBKNKHJK-OAHLLOKOSA-N 334.347 2.293 0 1 EEAF CC(=O)Oc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl 103184230 SEEHVUZZDJYEFU-UHFFFAOYSA-N 335.669 2.455 0 1 EEAF Fc1ccc2nc(CO[C@@H]3CN(C4CCOCC4)C[C@H]3F)[nH]c2c1 2356314594 WVNWZDUUDWOMEF-CZUORRHYSA-N 337.370 2.420 0 1 EEAF CCN1CCN(C(=O)CCC2CCN([C@H](C)CSC)CC2)CC1 23339789 LYFKSNLUIPHSBK-MRXNPFEDSA-N 341.565 2.394 0 1 EEAF COc1cc2sc(-c3c(NCCCO)n[nH]c3N)nc2cc1F 114397777 VVSOGQFZBPQSRG-UHFFFAOYSA-N 337.380 2.211 0 1 EEAF CC1=CC[C@@H]2[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@H](OC(=O)C(C)C)C[C@@]2(C)O 2356594595 WJNZGUAPRXHHKP-HLRKGEGKSA-N 336.428 2.469 0 1 EEAF O=C(NCCCN1CCCC1)c1coc(-c2ccc3c(c2)OCO3)n1 82086303 BEKVQHZLDCQZNT-UHFFFAOYSA-N 343.383 2.286 0 1 EEAF C[C@@]1([C@@H](O)CO)C=C2CC[C@@H]3[C@@](C)(CC(=O)C[C@@]3(C)CO)[C@H]2CC1 85644553 DMTGVNZTCBSUQP-RABCQHRBSA-N 336.472 2.460 0 1 EEAF biogenic,in-vitro O=S(=O)(c1cccc2cnccc12)N1CCC2(CCCNC2)CC1 96911018 LSAWAWZUOZDMJE-UHFFFAOYSA-N 345.468 2.389 0 1 EEAF COC(=O)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1OC 586970335 WZTQCGALBRUATN-UHFFFAOYSA-N 345.380 2.284 0 1 EEAF NC(=O)c1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 587163365 PVIQXGAQQPPOHW-UHFFFAOYSA-N 326.331 2.372 0 1 EEAF Cc1cc2c(cc1O)[C@H](c1cn3cccc(C)c3n1)N[C@H](C(=O)O)C2 963507104 HUQQWRWREMBXOC-WMLDXEAASA-N 337.379 2.345 0 1 EEAF COC(=O)C1=C[C@]2(CC1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962764199 KWSZZTKLTISENV-CJNGLKHVSA-N 339.313 2.421 0 1 EEAF CCOC(=O)C1(N=c2nc(-c3ccncc3)[nH]c3cnccc23)CCC1 1857545016 OSIDZXHCCXCWJQ-UHFFFAOYSA-N 349.394 2.406 0 1 EEAF COCCNC(=O)[C@]1(CC(C)C)C=CCN1C(=O)c1ccccc1 7992717 UTNFULQGVRQPIO-LJQANCHMSA-N 330.428 2.246 0 1 EEAF O=C1O[C@@H](Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc21 29043671 BSGQUBKLPKMFRV-MRXNPFEDSA-N 344.334 2.492 0 1 EEAF CC[C@H](C)C(=O)Nc1cc(=N)c2ncc3cc(C(=O)CCO)[nH]c1c32 2356342518 FHIVVNMJMIRBRH-VIFPVBQESA-N 340.383 2.183 0 1 EEAF O=C(N[C@@H]1CO[C@@H]2[C@@H](OCc3ccccc3)CO[C@H]21)C1CCCCC1 25237286 GAFWCYZUHSMQLW-YDZRNGNQSA-N 345.439 2.435 0 1 EEAF biogenic COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1[C@@H]2CC3C[C@H]1CN(C3)C2 101022749 NXFATKJPSQMNCO-HDKZCFPHSA-N 349.862 2.248 0 1 EEAF COCCNC(=O)[C@]1(C)CCCN(C(=O)c2cccc(Cl)c2)C1 61898425 UPAPIKYKUIJNCJ-QGZVFWFLSA-N 338.835 2.345 0 3 EEAF O=C(O)C[C@@H]1COCCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 72153394 BUVCBMUNZITQCL-CQSZACIVSA-N 337.803 2.464 0 1 EEAF COc1cc([C@@H]2Oc3c(OC)cc(C=O)cc3[C@@H]2CO)ccc1O 15215988 FHRVWMUANLCTEE-GUYCJALGSA-N 330.336 2.432 0 1 EEAF biogenic CN1CCC(OC(=O)[C@H](CO)c2ccc(C(F)(F)F)cc2)CC1 43016842 MUVWBFKHLBXKBY-CQSZACIVSA-N 331.334 2.419 0 1 EEAF COc1cc2c(c(OC)c1OC)[C@@H](O)O[C@H]1CC=C3CCN(C)[C@H]3[C@H]21 95884425 MNAREALDHXFRFJ-AXJQOJOCSA-N 347.411 2.220 0 1 EEAF Cc1ccc(CN(C)C(=O)[C@@H]2NNC(=O)[C@H]3CCCC[C@@H]32)c(C)c1 618014209 JLSKKBLGCHHLMN-YESZJQIVSA-N 329.444 2.071 0 1 EEAF CN(C)C(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574751 YHRWETFJZYOTCQ-KDOFPFPSSA-N 327.336 2.201 0 1 EEAF C[C@]1(c2nonc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573457 BXYPRSIYUFSSOX-PXAZEXFGSA-N 339.307 2.234 0 1 EEAF Nc1c(F)cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1F 587134192 BELVCNJCCJLYLM-UHFFFAOYSA-N 325.296 2.337 0 1 EEAF CCCn1ncc(NS(=O)(=O)c2c(C)cc(OC)c(C)c2C)n1 1772613263 OULCQGGKGLWWBG-UHFFFAOYSA-N 338.433 2.423 0 1 EEAF CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 12594327 MARBGRMFMMPDOR-CQSZACIVSA-N 325.430 2.328 0 3 EEAF CCC(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 169031370 NKIGZOJXNGMDHT-GFCCVEGCSA-N 336.399 2.443 0 1 EEAF COc1ccc(C(=O)O[C@H]2C[C@@H]3C[C@@H](OC(C)=O)[C@@H](C2)N3C)cc1 169351361 XAFSVSVXERZSBU-XLNGHYISSA-N 333.384 2.019 0 1 EEAF COc1cc(S(N)(=O)=O)ccc1-c1noc(-c2cccs2)n1 1857564812 SHIZOIZUNNQZME-UHFFFAOYSA-N 337.382 2.121 0 1 EEAF COc1ccc(N(C)C(=O)NCCCn2cncc2C)cc1OC 1857604374 SJODAGDDGSTWGV-UHFFFAOYSA-N 332.404 2.445 0 1 EEAF O=C(O)C[C@H]1CCN(CC2CC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356495396 QPKUFWUKOZITLU-ZIAGYGMSSA-N 328.416 2.323 0 1 EEAF COc1cccc([C@@H]2[C@H]3C(=NN2C(C)=O)C2CCN3CC2)c1OC 20437736 PKDFJLIMQYVKMO-IAGOWNOFSA-N 329.400 2.057 0 1 EEAF C[C@H](CO)[C@@H]1[C@H](O)[C@H](O)C2=CC3=C(CO)CCC[C@@]3(C)CC[C@]21C 2356583905 MLRHGLBUEINMPQ-XJZZBMIWSA-N 336.472 2.172 0 1 EEAF C[C@]12CC[C@@H]3[C@H](CC[C@]45O[C@H]4C(O)=C(C(N)=O)C[C@]35C)[C@@H]1CC[C@@H]2O 49836460 RSGSNGFUKZTCGU-SQZCDSAJSA-N 347.455 2.429 0 1 EEAF CO[C@@H]1O[C@@H](O)[C@H]2[C@@H]3C[C@H]4c5[nH]c6ccccc6c5C[C@@H]([C@@H]31)N4[C@H]2C 49089662 ALUUTSZMHKEPEI-ZIXIEVJZSA-N 340.423 2.411 0 1 EEAF COc1c(/C=C\C(=O)O)c2c(c3occc13)OC[C@H](C(C)(C)O)O2 238739871 NRLOCZBKDMABGW-DOGVGXBMSA-N 334.324 2.450 0 1 EEAF C[C@]12CC[C@H]3[C@@H]4CCC[C@]5(COC(=O)[C@H]5O)[C@H]4CC[C@@]3(C1)OC2=O 238767336 MYBJWOFMVRJZGH-BNSDSJKXSA-N 334.412 2.203 0 1 EEAF CC(C)OC(=O)NCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 96915337 PAGRIVYYZLWSKQ-QRTARXTBSA-N 333.432 2.451 0 1 EEAF COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2OC)cc1O 29037451 YMSMRPNRLZXMMQ-IRXDYDNUSA-N 332.308 2.143 0 1 EEAF biogenic O=C(Cc1cccs1)N1C[C@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C1 299841751 DXYJPJPUTUFQAR-OAGGEKHMSA-N 334.485 2.250 0 1 EEAF COc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1C 586946014 PSSKEICPVYDSSD-UHFFFAOYSA-N 349.412 2.498 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(N)(=O)=O)cc1)O2 587409944 OKPYGMLWAZKJPV-KRWDZBQOSA-N 346.408 2.105 0 1 EEAF Nc1nccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005759 QPFKRYGIPXWKQB-UHFFFAOYSA-N 325.557 2.413 0 1 EEAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCCCn3nccc32)N1 963228058 HWWVWHXRKPXUQL-PXNSSMCTSA-N 348.406 2.458 0 1 EEAF COC(=O)[C@H]1CC(=O)C[C@@]2(C1)NCCc1c(OC)ccc(Cl)c12 963256781 FFPSMXFWKJPFID-DYZYQPBXSA-N 337.803 2.232 0 1 EEAF CC(C)(O)c1c(F)cncc1-c1cnc2c(c1)CCCN2C(N)=O 1772578003 VLRGQIRAOSJTHW-UHFFFAOYSA-N 330.363 2.341 0 1 EEAF C[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)N[C@@H]1CCCC[C@H]1C 5335772 KZOZYDRQDRZKLS-IJLUTSLNSA-N 349.460 2.427 0 1 EEAF COC(=O)c1cccc(NC(=O)[C@@](C)(O)C(F)(F)F)c1Cl 13808680 HVZAUSYZLGXKIP-LLVKDONJSA-N 325.670 2.378 0 1 EEAF CCOC(=O)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2 2356430734 PIUQFMJYOHEDCV-GOEBONIOSA-N 346.335 2.017 0 1 EEAF CC1(C)C[C@H](O)C[C@]2(C)[C@@H](CCC(=CCO)CO)C(CO)=CC[C@H]12 2356463645 HSBZCMPCYVPQSX-PNYFIKQUSA-N 338.488 2.420 0 1 EEAF CCn1cc(S(=O)(=O)CC(=O)Nc2cc(C)on2)c2ccccc21 2722208 JXDVEIUJFGZLPR-UHFFFAOYSA-N 347.396 2.370 0 3 EEAF CC(=C/CO)/C=C/[C@@H]1[C@](C)(O)[C@@H](O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 100778726 RMAJUEUHZWCNQM-GNZRCZIISA-N 338.488 2.416 0 1 EEAF endogenous,in-man C[C@]1(c2cccc(NC(=O)c3ncc(F)cc3F)c2)COCC(N)=N1 115391303 AWZZTBXSMJAMSX-QGZVFWFLSA-N 346.337 2.215 0 1 EEAF COc1cc2c(cc1OC)C(c1ccccc1)=NN(C(C)=O)C(=O)C2 28255421 SUUSBYBWRPEUQT-UHFFFAOYSA-N 338.363 2.387 0 1 EEAF O=C(Nc1nncs1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 23399364 YVDORDBNROSXTB-OAHLLOKOSA-N 343.456 2.245 0 1 EEAF CC(=O)c1c(O)c2c(c3c1OC(C)(C)C=C3)OC(C)(C)[C@@H](O)[C@H]2O 14616775 OFKZCOFIJRMOJI-BBRMVZONSA-N 334.368 2.344 0 1 EEAF biogenic CC1(C)NC(=N)NC(=N)N1OCCOc1cccc(C(F)(F)F)c1 45230561 VSRBKZMXSHGURS-UHFFFAOYSA-N 345.325 2.116 0 1 EEAF CC(=O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)OC(=O)N32)cn1 95581321 MOROKACDRSLWKA-RDJZCZTQSA-N 340.335 2.030 0 1 EEAF Cc1ccc(C(=O)N2C[C@H]3CCCO[C@@H]3[C@H](N3CCCC3)C2)cn1 299842810 ZWOZAQUASNTFGC-KURKYZTESA-N 329.444 2.105 0 1 EEAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(O)ncnc2[nH]1 587147689 ARMOSMPGJZYNIG-UHFFFAOYSA-N 328.282 2.404 0 1 EEAF COc1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2c1 586930940 VZYSFQPUBXEDNI-UHFFFAOYSA-N 347.396 2.106 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(N)=O)O2 587388627 FNYKVHNFGWAXEN-INIZCTEOSA-N 326.352 2.148 0 1 EEAF COC(=O)CC[C@H](N)c1nc2c(Cl)c(Br)cnc2[nH]1 587258285 FFBMTSGQGOMQDS-LURJTMIESA-N 347.600 2.327 0 1 EEAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587236331 URJYNAHWZLICPT-WDSKDSINSA-N 334.248 2.462 0 1 EEAF Nc1cc(F)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1N 587136601 HGVPSWPHQRTBMU-UHFFFAOYSA-N 341.390 2.366 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1S(C)(=O)=O)[C@@H](C2)C3=O 587449750 RHLZRBYUJLJVJJ-JDFRZJQESA-N 336.409 2.169 0 1 EEAF NS(=O)(=O)c1cccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c12 587162009 AWVIWGPAJSVRII-UHFFFAOYSA-N 347.371 2.165 0 1 EEAF COc1ccc(CN2C(=O)C3CC(c4ccc(N)cc4)(C3)C2=O)cc1 13821344 BAWVIQDXAVWARG-UHFFFAOYSA-N 336.391 2.494 0 1 EEAF O=S(=O)(c1ccccc1)N1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 169310454 FDYPBYQEBCFWLS-GVDBMIGSSA-N 332.469 2.205 0 1 EEAF Clc1ccc(N=c2ccc(N3C[C@@H]4C[C@H](C3)N4)n[nH]2)c(Cl)c1 1857635189 VWNYFXUIONDXGK-PHIMTYICSA-N 336.226 2.499 0 1 EEAF O=C(N[C@@H]1CCC(=O)N(CCc2ccccc2)C1=O)c1ccccc1 2356400511 BBMKJZGHTCVFMA-QGZVFWFLSA-N 336.391 2.177 0 1 EEAF Cc1nn(C(=O)CCCC(=O)NC[C@@H]2CCCO2)c2ccccc12 6768714 GFJHAXWRUZWGSX-AWEZNQCLSA-N 329.400 2.450 0 1 EEAF CN(C)CC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(C2=CCCCC2)cc1 100108154 ZYIFQCDKNKHSCQ-KXTWHKPSSA-N 339.483 2.472 0 1 EEAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1N1C=NC=CN1 27864496 KHRPEASUIFHHPT-HNNXBMFYSA-N 341.415 2.191 0 1 EEAF O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OC[C@@H]1CCCN1 115886067 OIQDJOKBTBWUSD-QPBFKRLHSA-N 332.791 2.364 0 1 EEAF CCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12 135985886 QLGKGVFMMHMEHO-UHFFFAOYSA-N 337.362 2.441 0 1 EEAF CCc1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)OC)cs1 82074657 CZABHPAQAQIEKC-ZDUSSCGKSA-N 348.424 2.194 0 1 EEAF COc1cccc(C(=O)N2CCn3c(nnc3-c3ccccn3)C2)c1 299864441 RFVFAEZBYZNLOX-UHFFFAOYSA-N 335.367 2.005 0 1 EEAF Cc1cnc(C(=O)N(C)[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 299850355 AXLUHEHEQLWNBT-KZNAEPCWSA-N 341.411 2.218 0 1 EEAF CCn1nccc1Oc1cc(C[C@H]2C[C@@H](O)C2)cnc1NC(=O)NC 299832027 JPIQZOOVYMKWGU-BJHJDKERSA-N 345.403 2.155 0 1 EEAF COc1cc(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc(OC)c1OC 299866130 OLEYKPKXSABUOM-STQMWFEESA-N 331.368 2.164 0 1 EEAF CCCc1c(O)ccc2c1O[C@@H](CNC(=O)C1CCOCC1)CC2=O 587472172 YCNTUNMVQVLLLH-CYBMUJFWSA-N 347.411 2.221 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ncccn1 587867578 KKOSMCXIQRHNTP-UHFFFAOYSA-N 349.272 2.451 0 1 EEAF Nc1ncnc2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 587078791 BIBAFQAUOLAQRB-SNVBAGLBSA-N 327.779 2.312 0 1 EEAF COC(=O)c1ccccc1NC(=O)CSc1nc2cnccc2[nH]1 1772634874 BLPSCUWRENUZDB-UHFFFAOYSA-N 342.380 2.475 0 1 EEAF CN(C)c1cccc2c(S(=O)(=O)Nc3ncccn3)cccc12 13761356 MSQQFEVXXADDJG-UHFFFAOYSA-N 328.397 2.497 0 1 EEAF O=C(CCCn1cncn1)N[C@@H]1CCCN(C2CCCCCC2)C1 14977647 QGYSKEWISHLDFH-MRXNPFEDSA-N 333.480 2.362 0 1 EEAF C[C@]12CO[C@@]3(C(=O)N4CCN(c5ccccn5)CC4)C[C@@H]1CC[C@]32C 169295169 TUCNDMSBQIUJQC-MVJPYGJCSA-N 341.455 2.326 0 1 EEAF O=NC1c2cc(OCC(=O)O)ccc2-c2ccc(OCC(=O)O)cc21 169685587 WUTULLQHHPLFBE-UHFFFAOYSA-N 343.291 2.450 0 1 EEAF O=C(N[C@@H](CO)CC1CCC1)c1cnc(C2CC2)c(OCC2CC2)n1 207420625 AMPALMGOEWMKIA-OAHLLOKOSA-N 345.443 2.424 0 1 EEAF O=S(=O)(c1ccc(-n2cncn2)cc1)N1CCCc2ccccc21 1857651853 CEIBQCSJVYOOFF-UHFFFAOYSA-N 340.408 2.409 0 1 EEAF O=C(NCc1ccco1)c1cccn2c(=O)c3sccc3nc12 423079 QGZQSWBYYPVTNS-UHFFFAOYSA-N 325.349 2.432 0 3 EEAF CN(C)C(=O)c1ccccc1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2C 29554302 HCYYQRZLXJGERU-AGUYFDCRSA-N 330.432 2.135 0 1 EEAF COc1ccc2c3c1O[C@H]1[C@@H]4OC[C@]4(C)C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 27765406 FJCKKSMRLTWIBR-ACWUBUNZSA-N 327.424 2.379 0 1 EEAF CCN1CC(C)(C)OC(=O)[C@H]1CC(=O)NCc1ccc(Cl)cc1 117778667 YFEFXZMGVVLTDP-CQSZACIVSA-N 338.835 2.372 0 1 EEAF Cc1cccc(S(=O)(=O)n2cc(NC(=O)c3nccs3)cn2)c1 116778003 BOWAOHKNFHQVOT-UHFFFAOYSA-N 348.409 2.137 0 1 EEAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)Cc2ccc(OC)cc2)C1 61904581 JVILSCOARVCOLP-IBGZPJMESA-N 332.444 2.393 0 3 EEAF CCNc1cc([C@H]2CCCNC2)nc2c(-c3cnn(C)c3)cnn12 66100198 XZMAQRXTUAMTRE-LBPRGKRZSA-N 325.420 2.029 0 1 EEAF O[C@H]1[CH][CH][C@@H]2[CH][C@H]1[C@@H]1[CH][C@@H]([CH][C@@H]3OCO[C@@H]31)CCCC[C@@H](O)CC2 238769539 TVWXDSWYFHYPDX-PEVIDRIHSA-N 333.448 2.317 0 1 EEAF CCC(CC)C(=O)N1CC[C@H]2NC(=O)N(c3ccccc3)C(=O)[C@@H]21 25410269 IDZZATKCMVWDHK-HUUCEWRRSA-N 329.400 2.149 0 1 EEAF biogenic CC(C)NC(=O)N(C)C[C@H]1Oc2ccccc2C(=O)N(C)C[C@H]1C 95661039 BDHZPLMJHRFXPS-CZUORRHYSA-N 333.432 2.206 0 1 EEAF CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(C)cc12 299870056 VUAMPWLAFDHKGW-UHFFFAOYSA-N 339.355 2.101 0 1 EEAF CCOC(=O)C[C@]1(c2nccn2C)CC(=O)c2cc(C)cc(N)c2O1 587391992 VHAFKEOAGFBESC-SFHVURJKSA-N 343.383 2.125 0 1 EEAF CCc1cc(O)nc(SCc2nc3ccc(C(N)=O)cc3[nH]2)n1 586967268 WAOAMDKJSGQBRR-UHFFFAOYSA-N 329.385 2.012 0 1 EEAF N[C@@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@@H]1c1ccccc1F 587155447 YWBDFFVPPNICTG-PXAZEXFGSA-N 335.346 2.019 0 1 EEAF NS(=O)(=O)c1c[nH]c(-c2nc3c(C(F)(F)F)cccc3[nH]2)c1 586930084 OTASIEIBXGGOCK-UHFFFAOYSA-N 330.291 2.224 0 1 EEAF Cc1ccc(OCc2cc(C(=O)NC[C@@H]3COCCO3)no2)cc1C 14951504 ILVDVXLUCLYJNH-MRXNPFEDSA-N 346.383 2.016 0 3 EEAF CC(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)/C=C\c3ccccc3)C[C@@H]1N2C 169352090 QKTXQEDBXGTOFH-LQUVTHPDSA-N 329.396 2.410 0 1 EEAF CCOC(=O)c1cc2c(cc1C(=O)OCC)CN1C(=O)CC[C@H]1C2 1857541247 ONBUEBPFKSYJFJ-ZDUSSCGKSA-N 331.368 2.087 0 1 EEAF CC(C)C[C@@H](C(=O)O)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C 66251989 AEIVNJFOFJNBSV-HOTGVXAUSA-N 330.428 2.491 0 1 EEAF COc1cc2c(cc1O)CN[C@H]1Cc3c(ccc(OC)c3O)C[C@H]21 2356653157 DJRZPPQHJDVOQW-CABCVRRESA-N 327.380 2.469 0 1 EEAF CC[C@H](C)C[C@H](C)C=C[C@@H]1C=C[C@H](O)[C@@H]2O[C@@]3(C)OC(=O)[C@@]12[C@@H]3O 2356723481 KMJIBJZHUZVXRL-LLIWRYSGSA-N 336.428 2.181 0 1 EEAF CC(=O)NC[C@@H]1C=C(C)[C@@H](CC(=O)NCCN(C)C)C[C@@H]1C(C)C 2356840209 MOSKAHDRDSYXQM-FGTMMUONSA-N 337.508 2.045 0 1 EEAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCc1cccc(F)c1 82203476 VTNJIQLEEJWHQT-UHFFFAOYSA-N 343.406 2.238 0 1 EEAF Cn1cc(-c2cnc(N)c(C(=O)NCc3cc(F)cc(F)c3)c2)cn1 84689850 JYQGBZGHUKXRAT-UHFFFAOYSA-N 343.337 2.273 0 1 EEAF O=C(N[C@@H](Cc1ccccn1)C1CC(O)C1)c1n[nH]c2ccccc12 230563584 LXLLOWDNIDCOFB-AJUCZRQESA-N 336.395 2.070 0 1 EEAF C/C=C1/CN2CC[C@]34c5ccccc5N(C(C)=O)[C@@H]3[C@H](CO)[C@H]1C[C@H]24 96331900 IJTKEUDLEABZCZ-WKLVOPGWSA-N 338.451 2.322 0 1 EEAF Fc1cccnc1O[C@H]1CC[C@H]2[C@@H]1OCCN2Cc1nccs1 299842068 CKCLPZNJYVVSDT-YDHLFZDLSA-N 335.404 2.488 0 1 EEAF C[C@@]12CC[C@@H]3C(=C[C@H]4OC(=O)[C@@]5(C)C(=O)CC[C@@]3(C)[C@@H]45)[C@@H]1OC[C@@H]2O 653782568 HWQRUTOSBSDKJF-YBMLICPGSA-N 346.423 2.020 0 1 EEAF COC(=O)/C(=C\N(C)C)[C@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1 587387103 NCSIIGQITZOFTL-NRJHKNTJSA-N 344.411 2.310 0 1 EEAF CCOC(=O)[C@H]1CSC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587453402 QKFFPPHVHNYINV-QFSBIZTOSA-N 334.393 2.108 0 1 EEAF CN1[C@H]2COC[C@H]1CC(OC(=O)c1cn(CCF)c3ncccc13)C2 1772599412 YYSFUWXCUOEGDB-CHWSQXEVSA-N 347.390 2.024 0 1 EEAF O=C(OCc1ccoc1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 13492627 FJLMOGVUSSSKEC-UHFFFAOYSA-N 344.714 2.119 0 1 EEAF O=C(NCc1ccco1)C1(S(=O)(=O)c2ccccc2)CC=CC1 15934982 AAMAAWRTXRPNTM-UHFFFAOYSA-N 331.393 2.459 0 3 EEAF CC1(C)Oc2cc(NS(=O)(=O)c3cccs3)cnc2NC1=O 1857763957 HXEPGWVDOSKUBC-UHFFFAOYSA-N 339.398 2.053 0 1 EEAF O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NC1CCCC1 2601721 LUQCPPYKAOZGNZ-UHFFFAOYSA-N 349.456 2.371 0 1 EEAF O=C(CCCNS(=O)(=O)c1cccs1)NCc1ccccc1 3894736 GVXYQVKOAPXKRQ-UHFFFAOYSA-N 338.454 2.123 0 1 EEAF CC(C)(CC(=O)NC1CC1)CC(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 101272383 ZQTYSHNSWFSRTJ-HYKKRXIHSA-N 348.487 2.127 0 1 EEAF C[C@@H](NC(=O)c1nc(N2CCOCC2)n2ccccc12)C(C)(C)C 68107036 FRHXRBRPPJRCHR-CYBMUJFWSA-N 330.432 2.335 0 1 EEAF C[C@]12[C@@H](C[C@H]3C[C@H]1C(=O)O3)[C@H]1C[C@@H](c3ccoc3)O[C@@]13C[C@H]2OC3=O 2356490940 ZUORJPZGFYNDHW-WRJKZPRSSA-N 344.363 2.383 0 1 EEAF CN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)N(C)CCC4)CC1 118734337 IJFZEAADSRFONR-UHFFFAOYSA-N 327.428 2.384 0 1 EEAF CC[C@@]12CC[C@@]3(CO)[C@H]4CC[C@@]56CC[C@H]7[C@@H](C[C@]31[C@]75CN2C4)C(=O)O6 2356544421 OGPGWZBCJZOHEC-NLUHDMOXSA-N 343.467 2.345 0 1 EEAF OCCCNc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](O)CC2)n1 261115711 ISCXJKAZTPOPNW-HDJSIYSDSA-N 343.431 2.048 0 1 EEAF COc1c(O)cc2c(c1O)C(=O)O[C@@H](C)[C@H]2Oc1cc(C)oc(=O)c1 31168570 SNJTUAZUAHBUTI-VXJOIVPMSA-N 348.307 2.047 0 1 EEAF biogenic CS(=O)(=O)c1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 390285760 FQPFVMFIPPTBMC-UHFFFAOYSA-N 330.365 2.405 0 1 EEAF Cc1oc2c(c1-c1nc3ccc(S(N)(=O)=O)cc3[nH]1)C(=O)CCC2 586903816 OWJBBSRMCWVJIP-UHFFFAOYSA-N 345.380 2.298 0 1 EEAF COCCc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923662 CHONVSHCFHDECH-UHFFFAOYSA-N 326.443 2.395 0 1 EEAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ncc[nH]c-3n2)cs1 587013900 DGFHPGOEZBXFQS-UHFFFAOYSA-N 332.389 2.453 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nonc2N)N1 587744074 GEXHACOMHMQMGU-DAZKTRTLSA-N 341.184 2.351 0 1 EEAF COC(=O)C1CCN(C(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)CC1 587639346 SLMHFQOPJNVZAC-UHFFFAOYSA-N 344.367 2.200 0 1 EEAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@]2(CCCCn3nccc32)N1 963228061 HWWVWHXRKPXUQL-XLIONFOSSA-N 348.406 2.458 0 1 EEAF NC(=O)c1ccc(N2CC[C@@H](c3ccccc3)[C@H](N)C2)c2cncnc12 1772622972 IKXJUVWMYQLUAV-WMLDXEAASA-N 347.422 2.050 0 1 EEAF CCn1cc(NC(=O)c2csc(-c3nncn3C(C)C)n2)cn1 1772640794 ZPIUKHQYCQWZEW-UHFFFAOYSA-N 331.405 2.451 0 1 EEAF COc1cncc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)c1 1857556111 COWOUJPABRWKPP-UHFFFAOYSA-N 327.344 2.192 0 1 EEAF CCN(CC)CCCNC(=O)c1nc(-c2ccc(OC)cc2)no1 1857768034 NYQGHOHKOXYFMD-UHFFFAOYSA-N 332.404 2.207 0 1 EEAF O=C([C@H]1CCCN1C(=O)CC1Cc2ccccc2C1)N1CCSC1 12195 AXRXUHYWTOZHBM-QGZVFWFLSA-N 344.480 2.315 0 1 EEAF CC(C)NC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(Br)cc1 100083440 MJKWHCFOSOHITB-BTTYYORXSA-N 338.249 2.307 0 1 EEAF O=C(CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)NC1CCCCC1 101626670 YJQHVNSDJBEGAQ-KGLIPLIRSA-N 338.835 2.343 0 3 EEAF COc1cccc(OCCCOc2nc3ncccc3c(=O)[nH]2)c1 58590596 HZXZSCWWEHGULV-UHFFFAOYSA-N 327.340 2.175 0 1 EEAF COc1cc2nc([S@@](=O)Cc3ccccc3N)[nH]c2cc1OC 28229842 CUKRMXRKRYEOFY-HSZRJFAPSA-N 331.397 2.470 0 1 EEAF c1cc(Oc2ccc(NC3=NCCN3)cc2)ccc1NC1=NCCN1 28711519 LCPAFKZCFFLTPB-UHFFFAOYSA-N 336.399 2.221 0 1 EEAF Cc1c(Cl)ccc2nc(CCc3nc(N4CCCC4)nn3C)nn12 217369555 CUGBUXMYFRDOTP-UHFFFAOYSA-N 345.838 2.205 0 1 EEAF C[C@H]1OC(=O)c2c(O)cc(O)cc2CC(=O)CCCCC=C[C@@H]1O 1911575917 PUBJBUSNXLSOQM-ABAIWWIYSA-N 334.368 2.246 0 1 EEAF O=C1NCCc2[nH]c(-c3cccc4ccc(N5CCOCC5)nc34)cc21 222398249 OUKYCHWOBSPIBT-UHFFFAOYSA-N 348.406 2.352 0 1 EEAF Cn1cc(-c2cnc(N)c(C(=O)NCc3ccc(F)c(F)c3)c2)cn1 84689851 TZZQTSKYERXRJO-UHFFFAOYSA-N 343.337 2.273 0 1 EEAF O=S1(=O)C[C@H]2c3ccc(F)cc3CN2CN1Cc1ccccc1 96020146 GSVJFTBCJJWWMT-KRWDZBQOSA-N 332.400 2.486 0 3 EEAF Cc1cncn1CCCNC(=S)Nc1ccc2c(c1)NCCO2 96271502 VZEQJIFWBFCQBU-UHFFFAOYSA-N 331.445 2.373 0 1 EEAF CC[C@H](CO)Nc1nc(Nc2ncccn2)c2ncn(C(C)C)c2n1 95595887 CLTIRFBQVYXMKS-LLVKDONJSA-N 342.407 2.124 0 1 EEAF c1ccc(CO[C@H]2CO[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 299842329 GCCILUSHCCVNLT-RTBURBONSA-N 325.412 2.427 0 1 EEAF COC(=O)c1ccc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2n1 587785286 KLITZWQZAWCHGV-UHFFFAOYSA-N 329.312 2.134 0 1 EEAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 586886612 FPQYOGRCXOLYHQ-BZNIZROVSA-N 345.424 2.356 0 1 EEAF Nc1nc(O)c2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 587134565 MWRBQMHQSCMAGB-UPHRSURJSA-N 343.215 2.507 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccn(C)n1)O2 587391422 MLDYHNKYAIHKCM-IWHGQQBYSA-N 326.400 2.247 0 1 EEAF N[C@@]1(c2nc3c(S)nc(S)nc3[nH]2)C[C@H]1c1ccccc1F 587154433 NXILQWIJWMXOAD-WJWGPLDTSA-N 333.417 2.411 0 1 EEAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cnnc(O)c4[nH]3)cc2N1 587126131 VRJHEGVFCMNUNB-XNCJUZBTSA-N 339.281 2.230 0 1 EEAF CCO[P@](=O)(O)CC(=O)Nc1ccc2c(C)cc(=O)oc2c1 1772636540 BXEGIADKOLFJNB-UHFFFAOYSA-N 325.257 2.262 0 1 EEAF NS(=O)(=O)c1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1 64573053 MFKVVDPEUVEDLW-NTUHNPAUSA-N 334.784 2.480 0 1 EEAF CNC1=NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C 84723966 VSPGPYWFKMQZFL-IZZDOVSWSA-N 333.189 2.319 0 1 EEAF Cc1nnc([C@H]2C[C@H]3CN(C(=O)Cc4ccc(F)cc4)CC[C@@H]3O2)o1 96070560 OVLAQBJBCXHJLB-CWRNSKLLSA-N 345.374 2.438 0 1 EEAF CC(C)[C@@H]1CCc2cnnn2COC[C@@H](Cc2ccccc2)NC1=O 95662082 YXIFELGPQJYMRC-AEFFLSMTSA-N 342.443 2.198 0 1 EEAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)CS(=O)(=O)C1)[C@@H](C2)C3=O 587449021 AEAGADFUBMMYQB-SJCJKPOMSA-N 336.409 2.026 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(N)=O)[C@@H](C2)C3=O 587433824 WZMOFTDKFXJUKD-DJJJIMSYSA-N 339.347 2.048 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1cc(O)c4oc(N)nc4c1)[C@@H](C2)C3=O 587434085 QWSDXBGRGMKYSB-QFYYESIMSA-N 338.319 2.613 0 1 EEAF CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)CN1 587791523 GDGLPNKOHPQIHV-VXJOIVPMSA-N 339.208 2.394 0 1 EEAF COCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(OC)cc2)C1 4399836 ALXVMQQNQXFTQC-CQSZACIVSA-N 349.431 2.092 0 3 EEAF CC1(C)CCC[C@]2(C)[C@@H]1C(=O)[C@H](O)[C@@]13C[C@@H](CC[C@H]21)[C@@](O)(CO)C3 2356406712 DXKOYDRYFOHLGA-PVJREAODSA-N 336.472 2.292 0 1 EEAF O=C(O)c1cc(C(=O)O)c2c(I)cccc2n1 26390322 NSZSQSBIQBZXRE-UHFFFAOYSA-N 343.076 2.236 0 1 EEAF O=C1[C@H]2C=C(Br)[C@@H](C[C@H]2OCCCCCCO)[C@]12CO2 101618692 VHTXGBQCZVQBHU-FMVNMVDZSA-N 345.233 2.191 0 1 EEAF C[C@]12COC3=C1[C@](C)(CC[C@@H]2O)[C@@]12CC[C@@](O)(CO)[C@@H](C[C@H]1C3)C2 2356324635 KVGFQYDNKYGNLD-XZLIJQOOSA-N 334.456 2.372 0 1 EEAF COc1cccc(-c2cc(C)c(NCCN3CCOCC3)nn2)c1 27621249 PJWPOXHXLYHRAK-UHFFFAOYSA-N 328.416 2.205 0 1 EEAF CC1(C)C[C@H](O)C[C@](C)(CNc2cc(F)cc(S(N)(=O)=O)c2)C1 84605187 GVTXAFWZZPFWIP-BBRMVZONSA-N 344.452 2.462 0 1 EEAF C=Cc1cncc(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CNC[C@@H]3[C@H]2C)c1 146809319 OMSCKIXRVCHVAG-MVQRFQBOSA-N 342.395 2.182 0 1 EEAF Nc1nccc(NCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)n1 96906114 IOKKKUDOJOWDAE-UHFFFAOYSA-N 330.779 2.035 0 1 EEAF Cc1ccccc1N1CCN(c2ccc(C(N)=O)c3ncncc23)CC1 143743162 CLOKXUUXVICRCQ-UHFFFAOYSA-N 347.422 2.364 0 1 EEAF O=C1C[C@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@@H]5[C@H]2[C@H]3C[C@@H]46 299872481 QMGVPVSNSZLJIA-QUXDOZHISA-N 334.419 2.093 0 1 EEAF O=C1CC=C(c2nc3ccnc(O)c3[nH]2)NN1Cc1ccc(F)cc1 587162455 BHLMEPVKPBLSQN-UHFFFAOYSA-N 339.330 2.081 0 1 EEAF CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]12N[C@H]1Cc3c2ccnc3C1=O 963289870 QXTZCYZLFDPPIP-NXPJVHOHSA-N 343.427 2.312 0 1 EEAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(N)c2cn1)c1ccc(F)cc1 1772590717 SWEZJIYKVJQMLF-CYBMUJFWSA-N 344.350 2.188 0 1 EEAF COc1cc(C[C@@H]2NCCc3nc(N)sc32)cc(OC)c1OC 11422493 WCLVWYZGFNFOGA-NSHDSACASA-N 335.429 2.181 0 1 EEAF O=C(O)Cc1nn(Cc2nc3ccccc3o2)c(=O)c2ccccc12 13448956 LQEACWFBKKDVAP-UHFFFAOYSA-N 335.319 2.213 0 1 EEAF O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@H]2C(=O)N1CNc1ccc(Cl)c(Cl)c1 17111622 RHNCKSQAHBJZPH-YVECIDJPSA-N 339.178 2.301 0 1 EEAF COc1cccc(OC)c1OCCNC[C@@H](O)COc1ccccc1 169325091 MPEPTKANIWTGHL-OAHLLOKOSA-N 347.411 2.112 0 1 EEAF C[C@H](c1ccccc1)n1cc(C(=O)NCCCN2CCCC2)nn1 203475640 WUKAHABOZPDGMI-OAHLLOKOSA-N 327.432 2.103 0 3 EEAF CNC(=O)Nc1ccc(-c2nc(C)c3nc4n(c3n2)CCOC4)cc1 1857543291 AJIFBWGIJALXHJ-UHFFFAOYSA-N 338.371 2.083 0 1 EEAF NC(=O)CSc1cn(CC(=O)N2CCCCC2)c2ccccc12 6867267 FZJVAUIAWHATDG-UHFFFAOYSA-N 331.441 2.231 0 1 EEAF CCC[C@H](C)NC(=O)[C@H]1CNCCN1C(=O)CCCc1ccccc1 45228074 ODTQJVYQCAEIPZ-FUHWJXTLSA-N 345.487 2.115 0 1 EEAF Cc1nc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)ccc1C#N 149581646 GFJZCOSLDIEWGX-CQSZACIVSA-N 333.399 2.248 0 1 EEAF CC(C)Nc1nccnc1C1CN(C(=O)c2nc3ccccc3[nH]2)C1 140223333 VTZUELYDYZJIEQ-UHFFFAOYSA-N 336.399 2.413 0 1 EEAF Cc1cc(Br)cc2nc([C@@H](N)CCCNC(N)=O)[nH]c12 587260371 USSQLWVHJNPVDV-VIFPVBQESA-N 340.225 2.082 0 1 EEAF Nc1ccc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cn1 587254008 UZIKOYTVGPIMRY-UHFFFAOYSA-N 347.172 2.592 0 1 EEAF Fc1cncc(Cl)c1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 587175388 CSRQTMSEVPUZHZ-UHFFFAOYSA-N 329.726 2.317 0 1 EEAF Cc1cc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc(C)c1O 587561473 RGZIOKMFSRUVCC-UHFFFAOYSA-N 341.323 2.053 0 1 EEAF Cc1cc(C)c(Cn2cncn2)cc1CN1CC[C@@H]2CC[C@H](C1)N2 74489278 HNJDRDUKOAVKPS-RBUKOAKNSA-N 325.460 2.270 0 1 EEAF CC(C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)[C@@H](O)CC[C@@]2(C)[C@@H]13 14612053 VQHKIUOYBKJOOD-HUTWWKRSSA-N 332.396 2.143 0 1 EEAF O[C@@]1(c2ccc(Cl)cc2)c2c(ccc3c2OCO3)C2=NCCN21 1662061 HKALZDMFTTZJLT-KRWDZBQOSA-N 328.755 2.338 0 1 EEAF O=C(O)COc1cc(CC2CCNCC2)ccc1Br 115368242 QGWRVAFFLPORGP-UHFFFAOYSA-N 328.206 2.455 0 1 EEAF CC1(C)[C@H]2C[C@@H]3Cc4c(O)c(C=O)c(O)c(C=O)c4O[C@]3(CO)[C@@H]1C2 29123752 BVROGQVINVYAJZ-HXWVLOFQSA-N 346.379 2.071 0 1 EEAF Nc1nc(N)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2n1 29463205 HKLBSCIBYASRAA-UHFFFAOYSA-N 349.803 2.248 0 1 EEAF Nc1nc(-c2ccco2)c2nnn(Cc3cccc(F)c3F)c2n1 40891512 HSZNXQGHVGSJAP-UHFFFAOYSA-N 328.282 2.390 0 1 EEAF COc1cc2c(cc1OC)C(CC(=O)N1CCOCC1)=NC(C)(C)C2 136526323 LXZOPUIRHYIMHP-UHFFFAOYSA-N 346.427 2.077 0 1 EEAF COc1ccc(-c2cnc3ccc(NCCCO)nn23)cc1OC 45302344 ZCSKKCCORPSIBO-UHFFFAOYSA-N 328.372 2.208 0 1 EEAF CCNc1nc(-c2cccnc2)c(-c2ccnc(NCCO)n2)s1 299849814 ADIOGLVAEBESTH-UHFFFAOYSA-N 342.428 2.498 0 1 EEAF CCO[C@@H](C)/C=C/C=C/[C@H](O)CC/C=C/C(=O)NCC(C)(C)O 653690517 OZMRSUOXUTZPNR-XMTCXXTRSA-N 325.449 2.108 0 1 EEAF O=c1nc(N2CCOCC2)oc2c(-c3ccc(CO)cc3)cccc12 653795849 WULUTTPQLCZADQ-UHFFFAOYSA-N 338.363 2.184 0 1 EEAF Cc1c(F)ccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c12 586929354 FAOYBQWSYCPPGC-UHFFFAOYSA-N 333.388 2.443 0 1 EEAF Cc1ncc([N+](=O)[O-])n1CCN1C(=O)S/C(=C\c2ccco2)C1=O 222763664 SLEKWTDNSOLUOK-XFFZJAGNSA-N 348.340 2.429 0 1 EEAF COc1ccc(-c2cnnc(N[C@H](C)c3cnn(C)c3)n2)c(OC)c1 11773839 UXLYYKWAEULDRY-LLVKDONJSA-N 340.387 2.462 0 1 EEAF O[C@H]1[C@@H](NC[C@@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 12356133 STBHTUOPFMOXDX-LPWQTFTOSA-N 341.407 2.387 0 1 EEAF COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C[C@@H](OC)O[C@H]1O2 14414909 QKCJGDIUSFKBPI-LQICSGGHSA-N 344.319 2.125 0 1 EEAF endogenous,in-man CC1(C)CC(=O)c2c3c(n(-c4ccc(C(N)=O)cc4)c2C1)CNCC3 169307786 QEIFWHGXYQFXRO-UHFFFAOYSA-N 337.423 2.377 0 1 EEAF COc1cccc(S(=O)(=O)NC[C@H](O)/C=C/c2ccccc2)c1 1857637568 RRHLUWSXAIMXFP-AUECHBEKSA-N 333.409 2.048 0 1 EEAF C[C@H]1Cc2cnc(Nc3ccccc3)nc2-c2c1c(C(N)=O)nn2C 1857656619 MGVIWAJZVGYINA-JTQLQIEISA-N 334.383 2.379 0 1 EEAF CC(=CC=C[C@H](C)C=CCC(C)C)[C@@H]1[C@H](O)C=C(CO)[C@H](O)[C@@H]1O 2356452478 RLFDVGHDISQUKQ-MRBRGOBGSA-N 336.472 2.359 0 1 EEAF CC(C)[C@@H](O)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26004669 WVTFOPNSTSYIHT-KGLIPLIRSA-N 330.215 2.490 0 1 EEAF CCCNc1ncc([C@@H]2CC(=O)NCc3nc4ccccn4c32)cn1 65381075 LZSKFOLFTZSMLG-ZDUSSCGKSA-N 336.399 2.098 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)cc1 58565998 USPKYYZDABFFSZ-LEYGVYNDSA-N 342.782 2.038 0 1 EEAF CCCCO[C@@H]1Oc2ccc([C@@H](O)Cn3ccnc3)cc2N(C)C1=O 28530783 CYFLQOJDVLORDZ-MAUKXSAKSA-N 345.399 2.115 0 1 EEAF COC1=C[C@]23CCCN2C[C@@H](O)c2cc4c(cc2C3=C1O)OCO4 2356761218 PRTXFEFIDMUDQQ-XIKOKIGWSA-N 329.352 2.110 0 1 EEAF CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)n1cccc1 2356762243 JEKIYDKFLZWHLL-GJYPPUQNSA-N 339.439 2.493 0 1 EEAF O=C(CCc1ccco1)Nc1ccc(N2CCOCC2)c(C(=O)O)c1 29128850 JIRRQXIIJXIPNR-UHFFFAOYSA-N 344.367 2.386 0 1 EEAF C[C@@]12C[C@@H](O)C[C@@](C)(CO)[C@H]1CCC1=C[C@]3(C)[C@H](C[C@H]12)OC[C@@H]3O 70455240 SSCNZSNVLHHQET-XSWYFRFISA-N 336.472 2.268 0 1 EEAF biogenic,in-vitro Cn1c(=O)c2c(-c3ccccc3)n(-c3cccc(O)c3)cc2n(C)c1=O 95570088 YFGCERPXNBJYCB-UHFFFAOYSA-N 347.374 2.401 0 3 EEAF CCCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)CC1CC1 95894066 QKTNHYVGKCVTJX-SQGPQFPESA-N 342.439 2.289 0 1 EEAF Cc1cncn1CCCNC(=S)Nc1ccc2c(c1)ncn2C 96271488 HMIZZRKGAZGSOX-UHFFFAOYSA-N 328.445 2.455 0 1 EEAF O=C(O)[C@@H]1C[C@@H](Oc2nccc3ccc(Br)cc23)CN1 98207892 AXTJAJXOHLUNEA-PWSUYJOCSA-N 337.173 2.191 0 1 EEAF in-vitro Cc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)O 31154751 XTSPJYQSTDOCQB-LJKKWVQYSA-N 339.457 2.342 0 1 EEAF biogenic Nc1ccc2c(c1)[N+]([O-])=C(CCCN1C(=O)c3ccccc3C1=O)C2=O 299827323 XSXGYQUICHHELD-UHFFFAOYSA-N 349.346 2.124 0 1 EEAF C[C@@]1(c2nc3c(O)nc(S)nc3[nH]2)C=C(c2ccccc2F)NO1 587157055 RIEKBVAXFRKXFG-HNNXBMFYSA-N 345.359 2.277 0 1 EEAF CCOC(=O)CCC[C@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963527734 QJFOIYYGWGJPLT-UGSOOPFHSA-N 335.400 2.248 0 1 EEAF COC(=O)[C@H]1CC(C)(C)C[C@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963506858 GEDVEGSOAYKPEX-NQCMUKECSA-N 347.411 2.104 0 1 EEAF O=C(NN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccncc1 169343981 XXMWQTCTAMCZGY-UHFFFAOYSA-N 349.438 2.068 0 1 EEAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(N=c1cc[nH]cc1)c2=O 1857550958 WHDVHWQDQBHJEN-UHFFFAOYSA-N 344.802 2.423 0 1 EEAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)NCCOCCO 2483867 CRYVJVYRSMJKGU-UHFFFAOYSA-N 338.429 2.439 0 1 EEAF CC1(C)[C@H]2C(=COc3cc(O)ccc32)[C@@H]2C(=O)C[C@@]3(O)C[C@H]1[C@H]2[C@H]3O 100898122 AZKZPXFWTQSDET-ILKNQKGPSA-N 342.391 2.109 0 1 EEAF in-vitro CNCCOc1cccc2c1ccn2S(=O)(=O)c1ccccc1 28129282 IPBMHVYZRXHUBV-UHFFFAOYSA-N 330.409 2.477 0 1 EEAF O=C(O)c1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1 65903282 BPFRXWPQSFLCFY-UHFFFAOYSA-N 328.397 2.487 0 1 EEAF Nc1nc(N2CCCCC2)c(Cl)nc1C(=O)Nc1ccccn1 28127910 QHWIBXOXEAMLOD-UHFFFAOYSA-N 332.795 2.350 0 1 EEAF O=C(NC1CCCC1)N1CCN(Cc2ccc3nccnc3c2)CC1 33060001 DZEMXTFUTATDKZ-UHFFFAOYSA-N 339.443 2.400 0 1 EEAF CN1C[C@H](O)c2ccc(O)c3c2[C@@H]1Cc1cc2c(cc1O3)OCO2 13412135 HZTCKRFMLYABLA-AAEUAGOBSA-N 327.336 2.489 0 1 EEAF biogenic Nc1nc(C(=O)NCc2ccccc2Cl)nc(-c2ccco2)n1 45386239 AGTOBZALEHSBGN-UHFFFAOYSA-N 329.747 2.297 0 1 EEAF COC1=C(C)C(=O)O/C1=C1/O[C@@]23CCCN4CCC[C@H](O2)[C@H]4[C@@H]3[C@H]1C 85894337 LXAQGNNSRKLTLE-KINNGVODSA-N 347.411 2.311 0 1 EEAF O=C(NCc1ccc(F)cc1)c1c(O)c(=O)[nH]c2ccc(F)cc12 84668428 MUDNJWLVLHIHGL-UHFFFAOYSA-N 330.290 2.442 0 1 EEAF C[S@@](=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)NC2=O)cc1 45353762 HNXILEKEKMKPSK-QHCPKHFHSA-N 329.352 2.130 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)C2=O)N1 587771711 WVUBYFRKQJEXAE-RTHLEPHNSA-N 327.197 2.180 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1nccc(C)n1)O2 587389121 IPMSXHXLWMEQAF-SFHVURJKSA-N 340.383 2.428 0 1 EEAF Cc1nn(C)cc1-c1[nH]c2c(C(=O)O)cccc2c1N1CCOCC1 587639190 OXLSYGUQTNDUME-UHFFFAOYSA-N 340.383 2.412 0 1 EEAF NC(=O)c1sc2nccc(Oc3ccc(CCO)cc3)c2c1N 43198129 TUSRAUHENMRLIO-UHFFFAOYSA-N 329.381 2.305 0 1 EEAF COc1cccc2cc3c(nc12)[C@]1(CC(=O)C[C@H](C(=O)O)C1)NCC3 963043757 AESLCYOHFDPZHJ-DJJJIMSYSA-N 340.379 2.038 0 1 EEAF C[C@@]1(c2cc[nH]n2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962959029 DHNBBVBZIOHXSI-OTYXRUKQSA-N 327.718 2.204 0 1 EEAF C[C@@H](O)CNCC(=O)N1CCc2cccc(F)c2[C@@H]1c1ccccc1 201356747 YBOAGQRKOQWTBB-VLIAUNLRSA-N 342.414 2.270 0 1 EEAF CCCCCCN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(C2CC2)n1 2356365496 MZDZAWBRZFJJKT-OKYOBFRVSA-N 347.503 2.424 0 1 EEAF CCCCN(CC)CCNC(=O)Cn1ccc2ccccc2c1=O 2493877 GTSSIASWNAFPSM-UHFFFAOYSA-N 329.444 2.240 0 1 EEAF COc1cc2c3c(c1OC)-c1ccccc1[C@@H]1C(=O)C(=O)N(CC2)[C@H]31 2356401167 VHCGUBVZFHGPAY-DLBZAZTESA-N 335.359 2.477 0 1 EEAF C/C=C/[C@H]1Oc2ccc(OC)cc2N2C(=O)[C@@H](C)[C@@H](OCOC)[C@@H]12 7992275 BSKPAPARTCMSGM-UKTLSSNASA-N 333.384 2.373 0 1 EEAF COC(=O)c1ccc(CNC[C@@H](O)COc2ccccc2C)cc1 29206385 VDNLNZJFAHPCND-QGZVFWFLSA-N 329.396 2.311 0 1 EEAF COC1=C(O)Cc2oc(-c3ccc(OC)cc3)c(OC)c(=O)c2[C@H]1O 103583678 QQLSQGGLMCHYTK-CQSZACIVSA-N 346.335 2.330 0 1 EEAF biogenic,in-vitro CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3ccnc3)c(OC)c21 26278498 HCMVGSIPWYGQLE-UHFFFAOYSA-N 331.303 2.053 0 1 EEAF CCOC(=O)C[C@@H]1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12 28771079 PJMYDDGWVUCELC-LBPRGKRZSA-N 328.368 2.295 0 1 EEAF O[C@H]1CN(Cc2ccc(C3CCCC3)s2)C[C@@H]1N1CCOCC1 22919019 HBCRLYRUVBGIPM-IRXDYDNUSA-N 336.501 2.283 0 1 EEAF CN(C)CCCNC(=O)c1ccc2c(n1)N(C)c1ncccc1N2C 28089319 WXYYDKNNWYOIQZ-UHFFFAOYSA-N 340.431 2.007 0 1 EEAF O=C(O)C(Oc1nn(Cc2ccccc2)c2ccccc12)C(=O)O 49068383 IGULOYSOGFNAFG-UHFFFAOYSA-N 326.308 2.001 0 1 EEAF Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1NCc1cccc(F)c1 82203540 MCUNWKVKAQAHTA-CQSZACIVSA-N 343.406 2.238 0 1 EEAF CC1(C)[C@H]2CCC3=C[C@@](C)(C(=O)CO)CC[C@H]3[C@]2(C)C[C@H](O)[C@@H]1O 238745010 ZVSKFZYNDQVXOH-BBPJHMRPSA-N 336.472 2.459 0 1 EEAF COc1cncc(-c2cccc(C3=N[C@H]4C(C(N)=O)=CC=C[C@@H]4O3)c2)c1 96916072 LGKFXIVQPPUYCN-ROUUACIJSA-N 347.374 2.253 0 1 EEAF Nc1ccccc1NC(=O)c1ccc2nc(N3CCNCC3)ccc2c1 144553686 BSYRUCVRUZESMD-UHFFFAOYSA-N 347.422 2.479 0 1 EEAF CC(C)(C)C(=O)Nc1ccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cn1 587247830 UTETXBODMIKWNN-UHFFFAOYSA-N 345.794 2.417 0 1 EEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(=O)O)cc2[nH]1 586961019 DZOWCPDEGSMOJP-LURJTMIESA-N 331.357 2.192 0 1 EEAF CC(C)(C)OC(=O)NC1(c2nc3cnncc3[nH]2)CCC(O)CC1 587237246 NZRYDDGUXJUUOK-UHFFFAOYSA-N 333.392 2.008 0 1 EEAF COc1cccc(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 587932025 UHISZLWUGAWZGB-UHFFFAOYSA-N 345.424 2.413 0 1 EEAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cnncc2[nH]1 586974906 XSQMRYZSHTYPJG-OAHLLOKOSA-N 327.413 2.464 0 1 EEAF Cc1[nH]nc2c1[C@H](c1ccc(F)c(F)c1)c1c(O)nc(O)nc1O2 1772585035 QIMOSJIYZCZLKA-JTQLQIEISA-N 332.266 2.483 0 1 EEAF c1cnc(N2CCC(CNC[C@H]3COc4ccccc4O3)CC2)nc1 13799843 LMMWPOUOKPRTGA-INIZCTEOSA-N 340.427 2.123 0 1 EEAF N[C@@H](Cc1c[nH]cn1)C(=O)CSc1ccc(Br)cc1 169321750 MQQXSYBUOYYMRV-LBPRGKRZSA-N 340.246 2.403 0 1 EEAF CCc1cc(Nc2ccc(N3CCN(C)CC3)cc2)n2ncnc2n1 1857558246 NFJHKBASMFCNGO-UHFFFAOYSA-N 337.431 2.182 0 1 EEAF COc1cc(O)c2c(c1O)[C@H](OC)[C@@H]1C[C@@](C)(OC)OC[C@H]1C2=O 2356418069 WIJFPHJXBDLXRE-PGNPJVIPSA-N 338.356 2.006 0 1 EEAF CC1(C)C[C@H](O)C[C@]2(C)[C@H](CCC(=CCO)CO)C(CO)=CC[C@@H]12 2356463643 HSBZCMPCYVPQSX-HLNWXESRSA-N 338.488 2.420 0 1 EEAF COc1ccc(-n2ncc3cc(OC)c(OC)cc3c2=O)cc1OC 28756764 CLNLDJUBUYAHFE-UHFFFAOYSA-N 342.351 2.420 0 1 EEAF C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC1=C[C@](C)([C@H](O)CO)CC[C@@H]12 2356684316 MXHRQWXLVXRIMG-UQEPQNNOSA-N 338.488 2.252 0 1 EEAF CC(=O)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1 84653842 QGHXALKJWBYFLA-UHFFFAOYSA-N 349.368 2.116 0 1 EEAF O=C(CSC(=S)N[C@H]1CCOC1=O)Nc1ccc(Cl)cc1 96929085 ZXPWYHHURLBQAK-JTQLQIEISA-N 344.845 2.202 0 1 EEAF NC(=O)c1ccc(N2CC[C@H](c3ccccc3)[C@H](N)C2)c2cncnc12 143775803 IKXJUVWMYQLUAV-RHSMWYFYSA-N 347.422 2.050 0 1 EEAF Nc1nc(O)c2[nH]cc(C(=O)c3ccc(Br)cc3)c2n1 653808743 KRVJLNPIODCXEV-UHFFFAOYSA-N 333.145 2.239 0 1 EEAF COc1ccc(C)cc1-c1nc2nc(O)nc(O)c2cc1CC(=O)O 587559141 FQKYEOMVLAIHHA-UHFFFAOYSA-N 341.323 2.047 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(CCO)cc2[nH]1 587230569 HYUGXFXJJQLHNG-GJZGRUSLSA-N 345.443 2.134 0 1 EEAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccnc(N)c3[nH]2)C(F)(F)C1 587131825 CYZDOHUEAROMCU-QMMMGPOBSA-N 339.346 2.510 0 1 EEAF O=C(O)c1cc(Br)cc2nc(C3(O)CCOCC3)[nH]c12 586912814 GWPFPCDJISUSCB-UHFFFAOYSA-N 341.161 2.022 0 1 EEAF CC(C)(CO)[C@@H](O)c1nc2ccc(I)cc2[nH]1 586900325 FJCSYBCKZLBWPQ-JTQLQIEISA-N 346.168 2.219 0 1 EEAF CCCSc1nc(NCc2ccccc2)c2nnn(CCO)c2n1 1772636823 DBOZCONHNCKXMC-UHFFFAOYSA-N 344.444 2.328 0 1 EEAF CCOC(=O)N1CCN(CCCOc2ccc(C(C)=O)cc2)CC1 13444676 ZYPSPPAGXNKFQM-UHFFFAOYSA-N 334.416 2.432 0 1 EEAF NS(=O)(=O)Oc1ccc2c(c1)[C@@H](O)C[C@H](C1CCCCC1)O2 13491350 IKIRYZIIGCYLSJ-DZGCQCFKSA-N 327.402 2.034 0 1 EEAF CCCOc1ccc(N)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1 13755574 BVZYXQOYVZEIIL-UHFFFAOYSA-N 327.388 2.486 0 1 EEAF COc1cc(O)c2c(c1)OC[C@]1(Cc3cc(OC)c(OC)cc31)C2=O 1663630 GTARHKGCDCSIQV-IBGZPJMESA-N 342.347 2.487 0 1 EEAF biogenic,in-vitro O=C(CCCn1ncn2c(cc3occc32)c1=O)N1CCCCC1 6750653 MKGPXMDUHVCWMY-UHFFFAOYSA-N 328.372 2.035 0 1 EEAF COc1ccc2c(c1)CC[C@H](N1C=CN(C)CC1)[C@H]2N(C)C(C)=O 101756131 KOLBHGRNRPCNRR-OALUTQOASA-N 329.444 2.248 0 1 EEAF CNC(=O)[C@@H]1CC=C[C@H]1n1cnc2c(NCc3ccccc3)ncnc21 29132322 KUVDTWVQJGRKFO-HUUCEWRRSA-N 348.410 2.302 0 1 EEAF O=C1Nc2ccc(Cl)cc2NC(=O)/C1=C/NCc1ccncc1 66258333 IEVCVSGUDOWWOA-FMIVXFBMSA-N 328.759 2.299 0 1 EEAF C[C@]12CC[C@@H]3NC(=O)C=C3[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 2356463760 LGVJHWQZLCCTPA-XEXJYJHASA-N 331.456 2.151 0 1 EEAF Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1nnc(-c2ccccc2)o1 49112803 TUBPFMTYXQVMGF-UHFFFAOYSA-N 340.368 2.343 0 1 EEAF COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(F)ccc(F)c32)cc1 221943671 HPCQZLLLLQSIMY-KRWDZBQOSA-N 333.290 2.386 0 1 EEAF CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1 45253391 SHTYMFCEUKUQIB-IRXDYDNUSA-N 340.427 2.148 0 1 EEAF CC(C)[C@H]1Cn2c(c(NCc3ccoc3)c(=O)n(C(C)C)c2=O)N1 82206272 NAAJKPKMFQWVHG-CYBMUJFWSA-N 332.404 2.246 0 1 EEAF COc1cc2c(cc1NS(=O)(=O)c1ccccc1)CCC(=O)N2C 653722039 PCYQRNCOMXCUTJ-UHFFFAOYSA-N 346.408 2.405 0 1 EEAF CC(C)(C)OC(=O)N(Cc1nc2c(N)ccnc2[nH]1)C[C@@H]1CCCO1 587197070 HUMPQJXCKVTPRK-NSHDSACASA-N 347.419 2.456 0 1 EEAF O=C1COc2cc3[nH]c(C[C@@H]4CCc5occc5C4=O)nc3cc2N1 586909220 WQQKVCHBIUXGHE-VIFPVBQESA-N 337.335 2.475 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncnc2N)N1 587746620 MYJVEFWEMNSBRG-UHLUBPPHSA-N 337.196 2.584 0 1 EEAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(N)=O 587858625 KSWDJEMHPAIYGH-UHFFFAOYSA-N 328.155 2.381 0 1 EEAF O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc(Cl)cc1 587368890 RCYDWJLLIWJVJT-UHFFFAOYSA-N 330.731 2.271 0 1 EEAF NC(=O)c1cccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 587034281 GTKVEMUTAJSGAH-UHFFFAOYSA-N 340.408 2.142 0 1 EEAF NC(=O)N[C@H]1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1 13860523 BDBXUEHZDXTSSZ-SFHVURJKSA-N 339.439 2.399 0 1 EEAF O=C(NC[C@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1C1CCCC1 427237 FCAATOHEORQJKU-PBHICJAKSA-N 328.412 2.421 0 1 EEAF CC[C@@]1(O)CN(C)CCC1=CC=C1C(=O)Nc2c(OC)cccc21 2356386578 NXQBPTQPVWZSKU-LJQANCHMSA-N 328.412 2.434 0 1 EEAF CC[C@@H](C)NC(=O)CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21 6795994 OBSTZPXCSIZYFA-DYVFJYSZSA-N 339.395 2.463 0 1 EEAF CN1[C@H](C(=O)O)CS[C@@H]1c1csc(-c2ccc(N)cc2O)n1 103234745 LRBYKLSFZOYSFO-GXFFZTMASA-N 337.426 2.228 0 1 EEAF CN(Cc1cnc(N)nc1)[C@H]1CCCN(Cc2ccccc2F)C1 20205942 ILFLCUMMLLHEFT-INIZCTEOSA-N 329.423 2.294 0 1 EEAF CN1CCN(Cc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1 26489932 FIYMDYYTMPMPSL-UHFFFAOYSA-N 349.438 2.076 0 1 EEAF CC(C)N1C[C@H](CNC(=O)Nc2nc(C3CCCCC3)n[nH]2)CC1=O 39500062 OEAQMHGPUCJXIX-LBPRGKRZSA-N 348.451 2.231 0 1 EEAF Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)OCC(=O)N3)c1 34145527 XWQBVCIOCKEJBU-UHFFFAOYSA-N 332.381 2.151 0 1 EEAF COCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1 40845791 CQVZMWKLFBXYDF-UHFFFAOYSA-N 335.385 2.030 0 1 EEAF CCCOc1c2c(cc3oc(CO)cc(=O)c13)O[C@H](C(C)(C)O)C2 85594499 RGRRLDIAVKCXKF-HNNXBMFYSA-N 334.368 2.149 0 1 EEAF biogenic,in-vitro CCOC(=O)Cn1c(=O)c(C)nc2cc(Br)ccc21 473106305 WFMZFVRYZUBAEZ-UHFFFAOYSA-N 325.162 2.031 0 1 EEAF Nc1nccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587119452 CROYDGLYRKLVRR-UHFFFAOYSA-N 349.276 2.459 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nonc2N)N1 587744072 GEXHACOMHMQMGU-CAAJLBCPSA-N 341.184 2.351 0 1 EEAF CCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3CC)C[C@]23C=C[C@H]1O3 12467492 ARAZAYXAIZVEQW-YKTARERQSA-N 327.380 2.099 0 1 EEAF O=P(O)(O)[C@@](Cl)(Br)[P@@](=O)(O)c1ccccc1 13651458 ATQAACRCZRPEJF-SSDOTTSWSA-N 349.441 2.005 0 1 EEAF O[C@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 169327523 HKIWVNOCBNBVAO-FHWLQOOXSA-N 325.408 2.416 0 1 EEAF CC(=O)Nc1cc(-c2nc(C(N)=O)[nH]c2-c2ccc(F)cc2)ccn1 1857606363 ZWAPUYGIROZERD-UHFFFAOYSA-N 339.330 2.335 0 1 EEAF CC(=O)N[C@H](COCc1ccccc1)C(=O)NCc1ccccc1 58568365 WQLPGWXFBWLNQJ-GOSISDBHSA-N 326.396 2.024 0 1 EEAF CC(=C/CO)/C=C/[C@@H]1[C@@](C)(O)[C@@H](O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 100778724 RMAJUEUHZWCNQM-XIEYQDBWSA-N 338.488 2.416 0 1 EEAF endogenous,in-man CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCn1c(C)ccc1C 2356456014 OZFNOTQQCBGSHL-GOSISDBHSA-N 339.439 2.195 0 1 EEAF CCC1(O)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27417943 WLSXXHPZHIKXCN-UHFFFAOYSA-N 346.358 2.135 0 1 EEAF CC(C)Cc1noc(CN(C)C[C@]2(O)CCCN3CCCC[C@@H]32)n1 63847942 VHKYQGKTVUIIIH-CRAIPNDOSA-N 336.480 2.079 0 1 EEAF CC=C(C)C(=O)O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@H]2C1 2356617216 UPVPJQNTGLTBPC-CWQOZTLDSA-N 346.471 2.360 0 1 EEAF CC[C@H](C)C[C@H](C)C=C[C@@H]1C=C[C@H](O)[C@H]2O[C@@]3(C)OC(=O)[C@]21[C@H]3O 2356723484 KMJIBJZHUZVXRL-UUUOSGNESA-N 336.428 2.181 0 1 EEAF CN1CCN(CCC(=O)Nc2nc(-c3ccccc3)cs2)CC1 84705420 AOFSIOSFGDVTHF-UHFFFAOYSA-N 330.457 2.386 0 1 EEAF O=C(NCCOc1nc(N2CCCC2)nc2ccccc12)C1CC1 1911575946 SZQAUHMWGLFBDU-UHFFFAOYSA-N 326.400 2.135 0 1 EEAF O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC1)c1cc2occc2[nH]1 42750377 CYCDHQLTYFKUFB-INIZCTEOSA-N 337.379 2.334 0 1 EEAF COc1ccccc1COc1ccc2c(c1)n1ncc(C)c1n[n+]2[O-] 95580377 ZBJDGQIXGZKOPK-UHFFFAOYSA-N 336.351 2.412 0 1 EEAF O=C(NCc1nc2nc(Cl)c[nH]c-2n1)c1cc2c(s1)CCC2 587033815 BIJSSUYUKABCMU-UHFFFAOYSA-N 333.804 2.438 0 1 EEAF CCOC(=O)C(=O)[C@H]1CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587399176 ISEVCJNWRHMUHA-KZULUSFZSA-N 331.368 2.214 0 1 EEAF CN1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587337007 BAKGVIOFGUCCHY-APWZRJJASA-N 341.338 2.491 0 1 EEAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(OC)cccc41)[C@@H](C2)C3=O 587441929 VMAMIEGFXVMOPA-BUXKBTBVSA-N 337.331 2.299 0 1 EEAF CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1cccc(F)c1 226521 ILVYUUGDHLBFRH-ZDUSSCGKSA-N 345.326 2.345 0 1 EEAF CNC[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 103282738 FVWJFCNPRUCMAT-GFCCVEGCSA-N 341.411 2.080 0 1 EEAF CC(C)[C@]1(O)CC[C@]2(C)C[C@@H]3[C@H](CO)C[C@H](O)[C@@H]3[C@](C)(O)CC=C21 2356334824 NYVUJKBYRUEZKI-UNPPGFQPSA-N 338.488 2.250 0 1 EEAF N[C@H]1CCCC[C@H]1NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 27105928 JNPLFADFIGKWML-RRFJBIMHSA-N 329.469 2.302 0 1 EEAF CC[C@]12CCCN3C(=O)[C@H](O)[C@@H]4c5ccccc5N(C(=O)CC1)[C@@]432 2356490435 IPLKUIIZTYHLIU-OGWHTMIXSA-N 326.396 2.000 0 1 EEAF CC=C1CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@]2(O)C[C@H]1[C@@H]3C(=O)OC 2356510936 RWGQUFAQJZEGJD-FKKBTLCVSA-N 338.407 2.309 0 1 EEAF NS(=O)(=O)c1ccc(CSCc2ccc(C(=O)O)cc2)cc1 27099501 WPMPCNMLUIZCFT-UHFFFAOYSA-N 337.422 2.466 0 1 EEAF CO[C@H](C)CNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 219758903 LROBIDLTYPALCY-LLVKDONJSA-N 340.387 2.485 0 1 EEAF CC[C@@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)O 144401376 VVLASUBZKSUGQT-JTQLQIEISA-N 330.340 2.436 0 1 EEAF CN[C@H](c1cccnc1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587224974 JDGQBCIXTSHDKS-GOSISDBHSA-N 348.410 2.022 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(C=C(CO)OC=C1OC)CC2=O 587483094 RAVBEJMQGNXQKY-GOSISDBHSA-N 332.352 2.443 0 1 EEAF CCOC(=O)C[C@@]1(c2nccn2C)NCCc2c1sc(C)c2C 963031115 STONLCZWZCGVLM-QGZVFWFLSA-N 333.457 2.441 0 1 EEAF NS(=O)(=O)Oc1ccc2c(c1)[C@H](O)C[C@H](C1CCCCC1)O2 13491348 IKIRYZIIGCYLSJ-UKRRQHHQSA-N 327.402 2.034 0 1 EEAF Cc1cc(O)nc(-n2ncc(C(=O)N[C@H]3CCc4ccccc43)c2C)n1 1857615994 XKXUDEBVSNRZLN-INIZCTEOSA-N 349.394 2.402 0 1 EEAF NC[C@@H](O)CNc1cc(N2Cc3ccccc3C2)nc2ccccc12 1857748932 OWMATFCSYSEGKD-MRXNPFEDSA-N 334.423 2.487 0 1 EEAF CN(C)c1ncnc(CNC(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C2(C)C)n1 1857757782 SFOJELKZLHFTKF-CABCVRRESA-N 343.406 2.133 0 1 EEAF O=c1[nH]nc(NNc2ccccc2)c2nnn(C3CCCCC3)c12 9704042 PJZMKRGAKUSSBV-UHFFFAOYSA-N 325.376 2.459 0 1 EEAF O=Cc1cccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)c1 61924245 JIYHITFTCOGIDI-UHFFFAOYSA-N 337.335 2.258 0 3 EEAF CC(C)[C@@H](O)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26004656 WVTFOPNSTSYIHT-ZIAGYGMSSA-N 330.215 2.490 0 1 EEAF CN(Cc1ccccc1)C(=O)c1cn2nc(-c3ccco3)nc2c(N)n1 28525751 UGUDIPNIJOGKMR-UHFFFAOYSA-N 348.366 2.239 0 1 EEAF COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@H](OC(C)=O)C2=O 14728244 MXFVIYRBYOWKKJ-ZWKOTPCHSA-N 344.319 2.355 0 1 EEAF biogenic COc1ccc(-c2cn(-c3ccc(S(C)(=O)=O)cc3)nn2)cc1 40865766 HQANSWKPIXZJFZ-UHFFFAOYSA-N 329.381 2.346 0 1 EEAF CCOc1ccc2c(c1)CCN=C2c1ccc(S(N)(=O)=O)cc1 84669437 RUQPWGQOABAKNE-UHFFFAOYSA-N 330.409 2.126 0 1 EEAF C[C@]12[C@@H](CC[C@@]34C[C@]3(C)CC[C@H](O)[C@H]14)C[C@@](C)([C@H](O)CO)C[C@H]2O 238767398 RXWMYTIDWXVBLG-ZWBZMTJVSA-N 338.488 2.084 0 1 EEAF CC(=C/CO)/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C 238783248 RMAJUEUHZWCNQM-FHELPVNXSA-N 338.488 2.416 0 1 EEAF Fc1cccc(Cn2nnc(-c3nc4cnncc4[nH]3)c2Cl)c1 587160314 ASNDXLKSKRRDEL-UHFFFAOYSA-N 329.726 2.452 0 1 EEAF COC(=O)Nc1ccc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)cc1 587245606 VGOOPKWOEFWYTD-UHFFFAOYSA-N 346.368 2.056 0 1 EEAF COC(=O)c1cc2nc(-c3c(N)cncc3OC)[nH]c2cc1OC 587254083 LDYHPIFVXOKOBN-UHFFFAOYSA-N 328.328 2.011 0 1 EEAF Nc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1Br 587366693 PFSNFGRYWVCVCR-UHFFFAOYSA-N 333.145 2.448 0 1 EEAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CO[C@@H]2CCCO[C@@H]2C1 963582117 OZXQZABZTKFSIN-XKHMPKOFSA-N 333.428 2.401 0 1 EEAF Cc1cccc(CNC(=O)[C@@H]2Cn3c(cc4ccccc43)C(=O)N2)c1 1772616639 COWUNRVDYMHYLB-INIZCTEOSA-N 333.391 2.378 0 1 EEAF CCCCCCN1C=N[C@@H]2C(=O)NC(Cc3ccc(OC)cc3)=N[C@@H]21 1857613661 DGXPTBNZMJWUOG-ZWKOTPCHSA-N 342.443 2.385 0 1 EEAF COc1ccc(CN2CC[C@H](CO)N(C)c3cccnc3C2)cc1 2356311911 KYTHJWFGQPEUIZ-MRXNPFEDSA-N 327.428 2.293 0 1 EEAF COC1=C2N(C)C[C@@H]3OC(=O)c4cc5c(cc4[C@@]23CCC1)OCO5 2356501810 NLRDXUFTQOWCNA-MAUKXSAKSA-N 329.352 2.179 0 1 EEAF CCCOc1ccc(OC)cc1-c1ncc(C(=O)OCC)c(=O)[nH]1 39243766 MJJUQSNYKBJGIC-UHFFFAOYSA-N 332.356 2.411 0 1 EEAF Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N(C)C)n2)o1 45353182 INYFOQAJCACBLY-UHFFFAOYSA-N 337.383 2.436 0 1 EEAF O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1cc(F)cc(F)c1 473134363 HPYRRVQCDSGBJT-UHFFFAOYSA-N 330.338 2.495 0 1 EEAF Cn1nc(-c2nc3c(F)cnc(Br)c3[nH]2)c(F)c1O 587154236 AKRRIYIONCKLMQ-UHFFFAOYSA-N 330.092 2.105 0 1 EEAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ncc[nH]c-2n1 586973868 ROFYRZLASCRDMT-CYBMUJFWSA-N 327.413 2.415 0 1 EEAF Oc1nc(S)nc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc12 587074942 BKJJCUNSGFZZOY-UHFFFAOYSA-N 345.775 2.248 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnnn2C)N1 587758397 ITMMGBUIKDYQQG-CPFSXVBKSA-N 325.185 2.340 0 1 EEAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 587787979 YNRNLNNYFRGWPQ-NXEZZACHSA-N 342.380 2.291 0 1 EEAF NCCOCCOCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587246248 NGKPOYJGVGCITI-UHFFFAOYSA-N 335.301 2.255 0 1 EEAF CC(C)(SCc1nc2ccc(S(C)(=O)=O)cc2[nH]1)C(=O)O 586960511 WVUPSVZYAFNVAQ-UHFFFAOYSA-N 328.415 2.063 0 1 EEAF Nc1ncnc2[nH]c(-c3nc(Br)ccc3Cl)nc12 587005416 IBVLZOQCSJBIGV-UHFFFAOYSA-N 325.557 2.413 0 1 EEAF COC(=O)c1ccnc2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc12 586924694 UGHLXXLMNHASPU-CSKARUKUSA-N 343.364 2.189 0 1 EEAF CCCNC(=O)C1(C[C@H]2CC(c3ccccc3)=NO2)CCNCC1 12726206 FECMNBXDABJEDK-MRXNPFEDSA-N 329.444 2.466 0 3 EEAF Nc1nc(Cl)c(N)c(NCC2(CO)CC(Cc3ccccc3)C2)n1 21269 SYQKBMYALNWEIH-UHFFFAOYSA-N 347.850 2.338 0 1 EEAF CCOc1ccc2c(c1)[n+]([O-])c(-c1ccccc1Cl)c(N)[n+]2[O-] 1616532 OZVZERSIOHJMRE-UHFFFAOYSA-N 331.759 2.408 0 1 EEAF CC(=O)OC[C@@H]1O[C@@H](c2ccc(C(C)=O)cc2)C=C[C@@H]1OC(C)=O 7992091 BKSSBIOYXWUVQT-SQNIBIBYSA-N 332.352 2.380 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Cl 58662627 ATWGPAAGZWQRJW-GVHRXAAFSA-N 342.782 2.038 0 1 EEAF COCCN1C(=O)N[C@H](CCc2ccccc2)C(C(=O)OC)=C1C 66148215 LPEUWZZZGFMQKM-OAHLLOKOSA-N 332.400 2.106 0 1 EEAF COc1ccc2c(c1)[C@@H](N1CCN(C)CC1)c1cccnc1CO2 22942260 XJMABPLMLZHDIW-IBGZPJMESA-N 325.412 2.319 0 1 EEAF COC(=O)c1cc(O)c2c(c1)[C@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 2356402849 SCVUAQMETPPABH-LRDDRELGSA-N 346.335 2.103 0 1 EEAF Cc1noc(C)c1Cn1cc(N2C(=O)N[C@H](CC(C)C)C2=O)cn1 115730365 DZLHIGSLVFSNSH-CQSZACIVSA-N 331.376 2.007 0 1 EEAF O=C(O)C[C@H](NC1CCN(Cc2ccccc2)CC1)c1cnc[nH]1 28330992 KULAYRDOLOJPRN-INIZCTEOSA-N 328.416 2.180 0 1 EEAF CO[C@@H]1C=C[C@](C)(O)CCC(=O)O[C@H](C)[C@@H](C)C[C@H](O)C=C1C 2356466017 OQBWAWZWLOIZFL-WIYYGXSFSA-N 326.433 2.368 0 1 EEAF CCOc1ccc2nnc3c(I)cnn3c2c1 28649522 AJHVCISLVJORHI-UHFFFAOYSA-N 340.124 2.281 0 1 EEAF CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(C)=O 14826954 CCWSYXLJKBFVDL-IAGOWNOFSA-N 346.335 2.500 0 1 EEAF biogenic COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@@H](c3ccncc3)[C@H]1C2 73168580 GXWKICGJRDYLKP-GUYCJALGSA-N 338.367 2.111 0 1 EEAF CC1(C)c2[nH]c3ccccc3c2C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@@H]13 40391501 LGFJHIIKFPHMPU-JHVJFLLYSA-N 349.434 2.251 0 1 EEAF CC(C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)C[C@H](O)C[C@@]2(C)[C@@H]13 40421076 KEXSMNABMQFSDY-DEIJXFBXSA-N 332.396 2.143 0 1 EEAF O=C1CN(c2c(O)cc(CC3CCCCC3)cc2F)S(=O)(=O)C1 45336491 VTRAIAOHBBZALV-UHFFFAOYSA-N 341.404 2.373 0 1 EEAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-n3cccn3)n2n1 40405708 YIBSWJPREAPIMJ-UHFFFAOYSA-N 348.370 2.118 0 1 EEAF COc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@H](C)CN3)cc1 82211356 CODJKDCJVQKOBQ-GFCCVEGCSA-N 344.415 2.198 0 1 EEAF COc1ccc(CNC(=O)c2c(O)c(=O)[nH]c3c(F)cccc23)cc1 84652660 FTMIARBQYFAZBS-UHFFFAOYSA-N 342.326 2.311 0 1 EEAF CCOC(=O)[C@@H](C)n1ccc(=O)c2c1ncn2Cc1ccccc1 49807732 NBHDAUZAOJEEGV-CYBMUJFWSA-N 325.368 2.370 0 1 EEAF O=C(N[C@@H](Cc1ccccn1)C1CC(O)C1)c1ccc2c(c1)CCO2 230582942 FDWIVMXBTBIFCD-VJFUWPCTSA-N 338.407 2.129 0 1 EEAF CCN1C(=O)CC[C@@H]1C(=O)NCc1ccc(F)cc1C(F)(F)F 95565440 IEUBTQYUYPHSIV-GFCCVEGCSA-N 332.297 2.472 0 1 EEAF CCOC(=O)[C@H](C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1)C(C)=O 587400861 SBIDRBIMRYXSOH-FZKQIMNGSA-N 333.384 2.460 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN(C)CCO)N1 587738939 DNSXBVWSRLIWPI-ZUZCIYMTSA-N 345.256 2.262 0 1 EEAF CC(C)(C)OC(=O)NCc1nc(-c2nc3c(N)ncnc3[nH]2)cs1 587014596 UOCMKPQYURDWFK-UHFFFAOYSA-N 347.404 2.083 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2C2(CCOCC2)N1 962636026 ORXOZZWXXPCXEQ-JTQLQIEISA-N 331.290 2.190 0 1 EEAF COC(=O)c1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)s1 962903448 UWZYJMWKRORTGS-FZMZJTMJSA-N 335.356 2.362 0 1 EEAF C[C@H]1CCc2nn(CC(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)cc2C1 5148594 NHCFTVMVXOEOLS-ULQDDVLXSA-N 346.519 2.492 0 1 EEAF CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ncccn1 13746253 QGLFIEUKLIOCPQ-QHCPKHFHSA-N 327.413 2.036 0 1 EEAF O=C1NC(=O)[C@H]2[C@@H]1ON(c1ccccc1)[C@@H]2c1c[nH]c2ccccc12 1857771980 YKEDZTVBIYBNLI-ZACQAIPSSA-N 333.347 2.302 0 1 EEAF COc1ccc(C[P@](=O)(O)C[C@H](CCC(=O)O)C(=O)O)cc1 13470267 CHTREKLBQHLOFC-NSHDSACASA-N 330.273 2.031 0 1 EEAF C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCCN(C)C2)C1=O 100824875 JEBIQDWUBWGGRV-KGLIPLIRSA-N 344.411 2.085 0 1 EEAF Cn1cc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)cn1 2356299663 LBZIOTAODHRTAO-CZUORRHYSA-N 329.379 2.036 0 1 EEAF CSc1nc2nc3c(c(O)n2n1)CN(Cc1ccccc1)CC3 8582850 LJTDWXNIVIYEKN-UHFFFAOYSA-N 327.413 2.110 0 1 EEAF Fc1ccc2nc(CO[C@H]3CN(C4CCOCC4)C[C@@H]3F)[nH]c2c1 2356314593 WVNWZDUUDWOMEF-BBRMVZONSA-N 337.370 2.420 0 1 EEAF CC(C)(C)OC(=O)N1O[C@H]2C[C@H]1[C@H]1[C@H]2N=NN1CCc1ccncc1 2356322172 ANOKHENGFVYZOL-AJNGGQMLSA-N 345.403 2.367 0 1 EEAF CCN(CC)c1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1 64512217 ZCUBEQCDRQOEAQ-OAHLLOKOSA-N 342.443 2.498 0 1 EEAF O=C1C=C2C(=CCO[C@H]2OC(=O)c2cccc(Br)c2)O1 28112234 ATJCYQYBPLMJQS-AWEZNQCLSA-N 337.125 2.329 0 1 EEAF Oc1c2c(nn1-c1ccc(OC(F)F)cc1)[C@H]1COCC[C@H]1N=C2 27088403 QVOYXYWXOMVGNY-QWHCGFSZSA-N 335.310 2.484 0 1 EEAF OC[C@H]1CCCCN1CCn1ccnc1-c1nc2ccccc2[nH]1 71497992 BPFNOXGNXWJAQX-CQSZACIVSA-N 325.416 2.273 0 1 EEAF CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95869378 FWVRCTKGOFOQAK-MSOLQXFVSA-N 343.471 2.031 0 1 EEAF COc1ccc(-c2c(CO)n(C)c3ccc(S(C)(=O)=O)cc23)cn1 299825351 XVTBLXRAJNDAQN-UHFFFAOYSA-N 346.408 2.145 0 1 EEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(F)cc(C(=O)O)c2[nH]1 587256025 ALQVQUSDPULMLL-SNVBAGLBSA-N 337.351 2.002 0 1 EEAF C[C@H]1C[C@H]2OC(=O)[C@@H]3C[C@@H](O)CC(=C23)[C@@]12C[C@@H](c1ccoc1)OC2=O 14765327 GEQWDBTYASTNAP-GLEKJWILSA-N 344.363 2.287 0 1 EEAF COc1cccc(Cc2nnc(-n3c(O)c4c(c3O)CC=CC4)[nH]2)c1 169688161 BYORKBAPCTVZRW-UHFFFAOYSA-N 338.367 2.261 0 1 EEAF Nc1cccc(OCCCNC[C@@H]2COc3ccc(O)cc3O2)c1 1534042 XQRSLRUXPXVCRY-MRXNPFEDSA-N 330.384 2.173 0 1 EEAF O[C@H](CNC[C@H]1COc2ccccc2O1)COCc1cccs1 2638521 DKUJYDJVRJCUMJ-KGLIPLIRSA-N 335.425 2.055 0 3 EEAF O=C(c1ccc(F)cc1)[C@](O)(Cn1cnnc1)c1ccc(F)cc1 26013709 PCNYTQPWOFAGPZ-KRWDZBQOSA-N 329.306 2.327 0 1 EEAF COc1cc([C@H]2Cc3c(O)cc(CCCO)cc3[C@H]2CO)ccc1O 2356559591 LEOZZNWPCJSWGW-PBHICJAKSA-N 344.407 2.447 0 1 EEAF O=C(Nc1ncccn1)N1CCN(Cc2cnc3ccccc3c2)CC1 137886597 LTHLXOKESAQARZ-UHFFFAOYSA-N 348.410 2.375 0 1 EEAF CCN(C)c1ncc(C(=O)NCCOC)c(-c2ccccc2F)n1 82153238 QZCZIPPZUSWJPY-UHFFFAOYSA-N 332.379 2.115 0 1 EEAF COc1ccc(-n2nnnc2-c2cc(OC)c(OC)c(OC)c2)cc1 82148864 MYIRRKSRFOPOET-UHFFFAOYSA-N 342.355 2.364 0 1 EEAF O=C(c1ccc[nH]1)N1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95510527 CDRWKLMPUSLKAD-MRXNPFEDSA-N 339.439 2.414 0 1 EEAF Cc1ccc(N2C(=O)[C@@H]3C[C@H](NC(=O)NC(C)C)CCN3C2=O)cc1 33920752 MHUFCGMIQKNETM-HIFRSBDPSA-N 344.415 2.002 0 1 EEAF biogenic CCOC(=O)C[C@]1([C@H]2CCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455985 RRRVKLZSXSWNHE-MUKKUYKPSA-N 346.379 2.314 0 1 EEAF N[C@@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)C[C@H]1c1ccccc1F 587153911 DTUGZGLCNNCEHW-YPMLDQLKSA-N 338.342 2.374 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(N(C)C)ccc21 587401951 UCJCLPIBCVJTLJ-LJQANCHMSA-N 337.379 2.456 0 1 EEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CN1CCOCC1 587595549 PAADRMPZUHCEBO-DLBZAZTESA-N 341.363 2.055 0 1 EEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CN[C@H](C(=O)O)C3 586990037 UHRRGKIPZPDZRU-ZDUSSCGKSA-N 346.342 2.251 0 1 EEAF Cc1cc(F)c2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc2c1 586928984 PHUXNDYPJIHMGA-UHFFFAOYSA-N 334.376 2.226 0 1 EEAF CCOC(=O)[C@@H](C)[C@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587400107 NHZCBCUZDWKNBF-ZMZPIMSZSA-N 349.383 2.044 0 1 EEAF Cc1nc2c(C)ccc3c2c(c1C[C@H](N)C(N)=O)-c1ccccc1C3=O 587098711 SXWQEAHCBWCWTC-INIZCTEOSA-N 345.402 2.418 0 1 EEAF N[C@H]1Cc2c(Cl)cccc2[C@@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962904600 WDAGVMZBZXNWMT-XYJFISCASA-N 346.789 2.205 0 1 EEAF CCOC(=O)C(C)(C)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857607186 SMOQHGUVRZLAPT-UHFFFAOYSA-N 337.383 2.262 0 1 EEAF COc1cc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)ccc1O 228615 UZSUPBUUTRNOGQ-LSDHHAIUSA-N 326.396 2.182 0 1 EEAF CC=C1CN2CC[C@]34c5cc(OC)ccc5N[C@@H]3[C@@H](CO)[C@H]1C[C@@H]24 2356628505 WASNVZYFPCLQAH-LGEIONFXSA-N 326.440 2.390 0 1 EEAF O[C@@H]1[C@H](NCc2ccco2)[C@H]2CO[C@@H](O2)[C@H]1Sc1ccccc1 2356847942 PAWLIULBPCWXBA-MTSZKFMLSA-N 333.409 2.015 0 1 EEAF CC(=O)NCCn1c(CC(C)C)nc2c(NCC(C)C)ncnc21 82178059 SGDAAKNGRLSHNZ-UHFFFAOYSA-N 332.452 2.229 0 1 EEAF COc1nn(Cc2cccc(NC(=O)c3ccccc3)c2)c(=O)o1 473115363 SIFGQDOEFGYOPV-UHFFFAOYSA-N 325.324 2.146 0 1 EEAF CCOC(=O)c1[nH]c2c(c1C)-c1nc3nc(O)nc(O)c3cc1CC2 587555892 SFAYARGDKSHMGR-UHFFFAOYSA-N 340.339 2.015 0 1 EEAF CC1=C(c2ccc3nc(C[C@H]4CCC(=O)[C@H]4C)[nH]c3c2)NNC(=O)C1 587961135 DIRZCPIHPIGZSF-NWDGAFQWSA-N 338.411 2.476 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2csc(CC(N)=S)n2)cc1 587923608 AKCBLVVYIFWEHZ-UHFFFAOYSA-N 327.456 2.010 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3cccnc3)nn1)O2 587391610 NXZBSBLSQCECOG-QGZVFWFLSA-N 335.367 2.319 0 1 EEAF Cc1ccc([S@](=O)CCNC[C@H](O)COc2ccccc2)cc1 169345728 ISTKBENNVNORSW-QMHKHESXSA-N 333.453 2.132 0 1 EEAF COC(=O)[C@@H]1CCc2occc2[C@]12NCCc1c2c(C(C)C)nn1C 962925221 YJGACHRDVCXAIP-DJJJIMSYSA-N 343.427 2.261 0 1 EEAF C=C(C)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]21 13325233 IXOAQFFFKPCXLB-LMYVGLOVSA-N 332.396 2.165 0 1 EEAF biogenic O=C(NN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccco1 169343982 ITKBAYGOQXCFFJ-UHFFFAOYSA-N 338.411 2.266 0 1 EEAF C[C@]12C(=O)N(CCN)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 1620039 BWXOIMSWNBJEFJ-YMPMHWPESA-N 332.403 2.227 0 1 EEAF COCCNC(=O)[C@H]1CCCN(c2cnnc3c(Cl)cccc23)C1 6724953 CJUYKXHPXKPJPV-LBPRGKRZSA-N 348.834 2.262 0 1 EEAF COc1cc2cc(CO)c(CO)c(C3=CC=NC(=O)C3)c2cc1OC 26646097 DUDAJACKYYHAFH-UHFFFAOYSA-N 341.363 2.226 0 1 EEAF CSc1ccccc1NC(=O)SC[C@H](NC(C)=O)C(=O)O 66251126 RNVAHGYKYYBKRL-JTQLQIEISA-N 328.415 2.263 0 1 EEAF O=C(Nc1cnc2[nH]ccc2n1)N[C@H]1CCCN(CC(F)(F)F)C1 118766218 UYLBPGPLLQBJGL-VIFPVBQESA-N 342.325 2.106 0 1 EEAF COc1ccc(C(=O)Nc2ccccc2NC(=O)COC(C)=O)cc1 66258555 ONVYVPULIPOTMU-UHFFFAOYSA-N 342.351 2.449 0 1 EEAF Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@](C)(O)CN1CCCCC1)CC2 72107163 ZUDNUZLSSFQSMM-VBKZILBWSA-N 347.455 2.108 0 1 EEAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CC[C@@H](N)C4)ncn3)c2c1 221292909 WIOYUDXSMHENKE-GFCCVEGCSA-N 338.415 2.345 0 1 EEAF Cc1ccc(N2CCN(CCCn3nc(C)ccc3=O)CC2)cc1 45286965 HAWGFXIMAAUMJG-UHFFFAOYSA-N 326.444 2.072 0 1 EEAF CCCCc1nc(Cl)c(C(=O)N[C@H](C(=O)OC)C(C)C)n1C 473130930 MUZLIPKGCJIDGQ-NSHDSACASA-N 329.828 2.344 0 1 EEAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccn(C)n1)[C@@H](C2)C3=O 587430791 HAUZSMUIJLFVKU-SEQHEZFFSA-N 339.395 2.147 0 1 EEAF CON(C)C(=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757395 USQMYGCWGAIVPS-RMLUDKJBSA-N 345.212 2.357 0 1 EEAF Nc1nc(O)c2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2n1 587017331 JRMWOMBBSWXZGS-UHFFFAOYSA-N 345.775 2.480 0 1 EEAF CCOC(=O)c1c(-c2nccn2C)[nH]c2ccc(S(C)(=O)=O)cc12 587649969 FRFPUXGNJSBGLA-UHFFFAOYSA-N 347.396 2.149 0 1 EEAF COCCCn1nccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432484 PHNPYYGELDXRGO-ACJLOTCBSA-N 328.368 2.417 0 1 EEAF COc1ncc(C)cc1[C@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963521297 AYCSXTYHPQVYPY-XJKSGUPXSA-N 328.368 2.101 0 1 EEAF O=C(c1csc([C@H]2COc3ccccc3O2)n1)N1CCOCC1 168625 IZOPLHPCKOSQQN-CQSZACIVSA-N 332.381 2.128 0 1 EEAF CCN(CC)CCCN1C(=O)C[C@]2(CCCc3ccc(O)cc32)C1=O 27561988 KNONRARFHQFNDP-FQEVSTJZSA-N 344.455 2.457 0 1 EEAF CN1CCN(CC(=O)N(C)c2nc(-c3ccccc3)cs2)CC1 22468124 NUUPQAAQNGYKET-UHFFFAOYSA-N 330.457 2.020 0 3 EEAF COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2n1CCN 27409030 QMEAEGKCDKEKRG-UHFFFAOYSA-N 344.396 2.466 0 1 EEAF CC(C)=CCc1cccc(CC(P(=O)(O)O)P(=O)(O)O)c1 64437259 JOLFUUAPLHZINV-UHFFFAOYSA-N 334.245 2.419 0 1 EEAF CC1=CC[C@@H]2[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@H](OC(=O)C(C)C)C[C@]2(C)O 2356594597 WJNZGUAPRXHHKP-QSVUUESMSA-N 336.428 2.469 0 1 EEAF CC[C@H]1CN[C@H]2C[C@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 2356693980 SAJWGFXMIQVKFI-OAFNLYAYSA-N 342.439 2.255 0 1 EEAF C[C@H](C(=O)NCc1ccccc1)C(=O)Oc1cccc(C(=O)O)c1 45336923 DFHBICFMNODIAH-GFCCVEGCSA-N 327.336 2.243 0 1 EEAF CC(=O)Nc1cccc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587241842 BIRZXGCDEGUSNR-UHFFFAOYSA-N 345.380 2.359 0 1 EEAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(OC)nc3[nH]2)c1 586921679 KUTMTSWIIBGYFB-UHFFFAOYSA-N 331.397 2.351 0 1 EEAF COc1ccc2c3c1O[C@@H]1C(OC)(OC)C[C@]4(C=C2)CN(C)CC[C@]314 5852915 FRGLCSZKHVYAEC-OTWHNJEPSA-N 343.423 2.436 0 1 EEAF CC1=CS[C@](O)(c2ccc(Br)cc2)c2noc(=O)n21 13475253 BQAKEYSLSCKIOQ-GFCCVEGCSA-N 341.186 2.357 0 1 EEAF CCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169303073 FSCQVYBJKCUYMM-IJONRSMUSA-N 327.424 2.281 0 1 EEAF CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)CCC=CCc2ccccc21 253977464 LBRGXKIEUSFACK-DNVCBOLYSA-N 330.380 2.463 0 1 EEAF CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCN1C#N 40954405 OCAFABUKPVDIBK-MRXNPFEDSA-N 344.415 2.258 0 1 EEAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(O)CCCC(=C23)[C@@]12C[C@@H](c1ccoc1)OC2=O 1911574915 LJCXQRWXJRCZGD-ORBGHYOKSA-N 344.363 2.431 0 1 EEAF CCOc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]ccc12 146405942 OXYAAJRMRULKJQ-UHFFFAOYSA-N 346.408 2.336 0 1 EEAF O=S(=O)(c1cccc2cnccc12)N1CCCC12CCNCC2 96911021 UKEUEQHCAACKAI-UHFFFAOYSA-N 331.441 2.142 0 1 EEAF CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3[C@H]2C=C2CCCC(C)(C)[C@]23O)OC1=O 145636760 FIKOOQXJBAJJSE-YTLVMJNWSA-N 346.379 2.139 0 1 EEAF CN(C)C(=O)[C@H]1C[C@H]2OCC[C@@H]2N(Cc2ccc3ccccc3n2)C1 299841770 HJWZYYXQLCREQB-ZYSHUDEJSA-N 339.439 2.302 0 1 EEAF CCC(=O)N1CCO[C@@H](c2cc(Nc3nncs3)cc(C)n2)C1 299851535 PSCNRFDNMQDMLB-CYBMUJFWSA-N 333.417 2.295 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(c1cnc(SC)nc1N)[C@@H](C2)C3=O 587452283 NZPRUVYQKIOWMZ-BTDLBPIBSA-N 343.408 2.452 0 1 EEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(F)c2[nH]1 586957939 GABAFHZQQCFOQJ-HNNXBMFYSA-N 335.360 2.171 0 1 EEAF Cn1nc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(F)c1O 587154334 CFLUPFKXVMEULQ-UHFFFAOYSA-N 336.636 2.222 0 1 EEAF C[C@@H]1COC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617042 OHCDGGVFXFSSNZ-MAZCYNQFSA-N 326.304 2.286 0 1 EEAF O=C(O)c1cccc2c1CCN[C@@]2(c1ccccc1)[C@H]1C[C@@H]1C(=O)O 963117469 FAUCRKLQSPHOBJ-RIFZZMRRSA-N 337.375 2.495 0 1 EEAF C[C@]1(c2cc(NC3CCOCC3)ccc2F)N=C(N)COC[C@@H]1F 169702881 AOUYERQDQWXFRI-DOTOQJQBSA-N 339.386 2.357 0 1 EEAF COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NC2CC2)o1 3060512 SZINKNJBXBJDMZ-UHFFFAOYSA-N 335.381 2.154 0 3 EEAF CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]1C(=O)c1nc2ccccc2s1 28395358 WXLHATMSVASNCW-VHRBIJSZSA-N 331.441 2.453 0 1 EEAF CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](O)CCc3ccccc3)[C@H]2O1 26375654 OXMWDXRDTYVWGE-GDZNZVCISA-N 345.395 2.137 0 1 EEAF COC(=O)CCC(=O)Nc1ccc2c(Cl)c(OC)oc(=O)c2c1 40465860 UOSLYVAFZFOVBZ-UHFFFAOYSA-N 339.731 2.347 0 1 EEAF Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NC1CCNCC1 95575784 JJMLGJLFFAUARR-UHFFFAOYSA-N 349.456 2.297 0 1 EEAF C[C@H]1CCC[C@@H](O)[C@@H](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 299815024 BDYVVSINDMFZGR-TUKIKUTGSA-N 336.384 2.342 0 1 EEAF CNC(=O)c1cccc(C[C@@H]2COCCN(Cc3ccc(C)o3)C2)n1 299850406 CZJLVZIKSUISRH-HNNXBMFYSA-N 343.427 2.034 0 1 EEAF Oc1nc(O)c2nc(-c3ccnc(Cl)c3Br)[nH]c2n1 586978864 AEESFVHUJVDSMG-UHFFFAOYSA-N 342.540 2.242 0 1 EEAF Oc1c(Br)ccc2nc([C@@H](O)C3CCOCC3)[nH]c12 586914160 VAHIBRZENCGVJJ-NSHDSACASA-N 327.178 2.491 0 1 EEAF Cc1[nH]c2c(C(=O)O)cccc2c1-n1c(=O)oc(=O)c2ccccc21 587639436 WCLUOFNYCLMXLT-UHFFFAOYSA-N 336.303 2.432 0 1 EEAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(N)ccnc3[nH]2)c1 586929937 DKMMHPXWFRQBSD-UHFFFAOYSA-N 345.428 2.238 0 1 EEAF CC(C)Oc1cccc(-n2nnc3c(=O)[nH]c(C(F)(F)F)nc32)c1 169346578 SAXJBGCJSHSMLO-UHFFFAOYSA-N 339.277 2.310 0 1 EEAF COc1cc2c(C(=O)N3CCC(C)CC3)cn(C)c(=O)c2cc1OC 3895579 XXROVUNHZCETAM-UHFFFAOYSA-N 344.411 2.428 0 1 EEAF COc1ccc(CN(Cc2ccncc2)C(=O)CCC(=O)O)cc1 4083222 ATPVWAQTGXDKDD-UHFFFAOYSA-N 328.368 2.484 0 3 EEAF CN1CCC(N2C[C@H](F)[C@H](OCc3nc4ccccc4o3)C2)CC1 2356299967 RGRTXQOFJDDVBX-WMLDXEAASA-N 333.407 2.461 0 1 EEAF C[C@@H]1C(=O)[C@]23[C@@H](O)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CCCC(C)(C)[C@H]1C[C@H]3O 2356646444 CVQIEWZWXJRAQL-JURFVJLCSA-N 336.472 2.147 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3C4=C(CCC[C@@]4(C)CO)C[C@@H]23)OC1=O 2356669700 KYSWLLSZOWOOGF-YIYSPXCVSA-N 346.379 2.141 0 1 EEAF COc1cc(O)c2c(c1)[C@H](O)[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C 14714110 SOOJTMCFQOPUHB-MSOLQXFVSA-N 341.363 2.373 0 1 EEAF biogenic CCCCCOC1CN(C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)C1 72315123 JGWYJIPGJZUQTP-VMPITWQZSA-N 343.427 2.397 0 1 EEAF O=C(C[P@@](=O)(O)Oc1cccc(C(=O)O)c1)NCc1ccccc1 45338137 AFXFCYYXBMAHCL-UHFFFAOYSA-N 349.279 2.265 0 1 EEAF CCN(CC)CCN(CC)c1ccc2cc(C(=N)N)c(=O)oc2c1 473136397 QUVGJMKWHNSLBX-UHFFFAOYSA-N 330.432 2.245 0 1 EEAF CC1(C)NC(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587597159 UBOBCIOWSLYHRU-BEFAXECRSA-N 339.347 2.391 0 1 EEAF CCOC(=O)[C@@H]1[C@@H]2CC[C@]3(NC[C@H]4CC(=O)N(C)c5cccc3c54)[C@H]21 963038655 ZNIRVEHPQJXLSU-XFLWFGDHSA-N 340.423 2.154 0 1 EEAF NS(=O)(=O)c1cc2c(cc1Cl)N(C(=O)c1ccccc1)CC2 169339073 YZSXJEAZWNPAGR-UHFFFAOYSA-N 336.800 2.190 0 1 EEAF CO[C@@H]1C=C[C@](C)(O)CCC(=O)O[C@@H](C)[C@H](C)CCC=C1CO 2356320458 JCTFLSMEBFVVHP-KKBFJZEXSA-N 326.433 2.369 0 1 EEAF Cc1ncc(C(=O)N[C@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)c(C2CC2)n1 101550424 NDLBUZLXSKJVNF-JTBLSWJKSA-N 327.428 2.332 0 1 EEAF Cn1ncc2c1C(C)(C)CCN([C@@H]1[C@H]3CC4C[C@@H]1C[C@](O)(C4)C3)C2=O 101668498 KJNGBIARSCJULD-TXDYZGBASA-N 343.471 2.483 0 1 EEAF CN(C)CCN1C(=O)c2c(N)ccc3cc4c(c(c23)C1=O)CCCC4 26831304 GFJKVLJWVNTYQB-UHFFFAOYSA-N 337.423 2.458 0 1 EEAF Cc1ccc2occ(/C=C3/SC(=O)N(CC(=O)O)C3=O)c(=O)c2c1 40409292 JOWOPGRZRNMFRS-LFYBBSHMSA-N 345.332 2.222 0 1 EEAF O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)c1ccccc1Cl 195447782 ATWGPAAGZWQRJW-DHKWMEDESA-N 342.782 2.038 0 1 EEAF Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)c(F)cc2[nH]1 586923560 PZVPOCYYCORETB-UHFFFAOYSA-N 342.783 2.204 0 1 EEAF Nc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cn1 586983785 IXTNUNDAKZWWHG-JTQLQIEISA-N 332.205 2.545 0 1 EEAF N[C@@H](Cc1nc2cnncc2[nH]1)c1ccc(Br)cc1F 587143660 CTRPJKAZVACEOC-JTQLQIEISA-N 336.168 2.497 0 1 EEAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cnnc(O)c2[nH]1 587044077 YPSZAZLCMIDILI-SNVBAGLBSA-N 347.787 2.367 0 1 EEAF Cc1ccc(S(=O)(=O)N2C[C@H]([C@@H](N)N=O)Oc3ccccc32)cc1 957916655 DMMPHZPSGDLCFS-CVEARBPZSA-N 347.396 2.003 0 1 EEAF CS(=O)(=O)c1ccc(F)c([C@@H]2NCCc3nc4ccccn4c32)c1 962981208 FASTVJSWSZIBRO-INIZCTEOSA-N 345.399 2.112 0 1 EEAF CN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccc(=O)[nH]c21 13824881 IJYBYRAICQVVJO-UHFFFAOYSA-N 330.775 2.133 0 1 EEAF COC(=O)C[C@@H]1c2ccccc2S(=O)(=O)N1Cc1ccccc1 13830041 KOKIVKBVNQMAND-OAHLLOKOSA-N 331.393 2.495 0 3 EEAF CCOC(=O)[C@@H]1C(C)=NC(=S)N[C@H]1c1cccc(OC(C)=O)c1 169720097 VBPBSTUXEJBMGZ-KGLIPLIRSA-N 334.397 2.181 0 1 EEAF COc1cc2c3c(cc4c(c3c1OC)C(=O)[C@H](O)CC4)N(C)CC2 154357149 ARDXCTHASHVQJB-CYBMUJFWSA-N 327.380 2.339 0 1 EEAF O=C1NC(Cc2ccccc2)=N[C@H]2[C@@H]1N=CN2CCc1ccccc1 1857566900 RCJMDIUPBUMMMA-RBUKOAKNSA-N 332.407 2.039 0 1 EEAF COc1ccc(-c2cc(-c3ccc(-n4cnnn4)cc3)[nH]c(=N)n2)cc1 1857581170 VOJJAJYABGHEPS-UHFFFAOYSA-N 345.366 2.207 0 1 EEAF CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1cccc(F)c1 226520 ILVYUUGDHLBFRH-CYBMUJFWSA-N 345.326 2.345 0 1 EEAF Cc1ccc(C2=NN(CC(=O)NCCCOC(C)C)C(=O)CC2)cc1 4708375 VPESVTWRFZDWLW-UHFFFAOYSA-N 345.443 2.253 0 1 EEAF CN1c2cccnc2CN(C(=O)Nc2ccccc2)CC[C@@H]1CO 2356290709 ZWNANEWSHMGCJU-OAHLLOKOSA-N 326.400 2.317 0 1 EEAF CC1=CCC[C@H]2[C@](CO)(CCC(=CCO)CO)[C@H](C)C[C@@]2(CO)C1 2356445533 FCKGLSONUYBLLE-AFYVEPGGSA-N 338.488 2.421 0 1 EEAF Cn1cnc2cc(-c3ccc(CCO)cc3)nc(NC3CC3)c2c1=O 115626633 PIMLMNAPDYKKRS-UHFFFAOYSA-N 336.395 2.105 0 1 EEAF O=c1cccnn1C[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 115737981 VZYAMIGSWLJHCX-LRDDRELGSA-N 337.782 2.013 0 1 EEAF O=C(O)c1cn(C[C@H]2CCCN(c3nccc4occc34)C2)nn1 67740683 OIRCTOYYYHMFMO-NSHDSACASA-N 327.344 2.034 0 1 EEAF C[C@H](CCc1ccccc1F)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27737376 ZTRARVFFWOIXTC-KZULUSFZSA-N 346.402 2.275 0 1 EEAF COc1ccc(CN2C[C@H](N3CCCC3=O)[C@H]3OCCC[C@H]32)cc1 299842570 STJCNPNKCGAJDU-AOIWGVFYSA-N 330.428 2.049 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cncc(OC)c2[nH]1 587230981 KXBGUMGULBWWLD-NWDGAFQWSA-N 332.404 2.003 0 1 EEAF CC(=O)NC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572425 PIBUPJUMSZGHAY-CRAIPNDOSA-N 327.336 2.249 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@H]1CN[C@H]3C(=O)O)CC2=O 587479680 CPBQCRUBGWJRLB-OEWWTHDXSA-N 345.395 2.131 0 1 EEAF CCOC(=O)C[C@@]1([C@@H]2CCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455983 RRRVKLZSXSWNHE-FRIZHTMISA-N 346.379 2.314 0 1 EEAF CC[C@]1(CC(=O)O)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962630808 FWCBWESYGVSHLB-RBUKOAKNSA-N 342.395 2.413 0 1 EEAF CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(C[C@@H]3C[C@@H]4CC[C@@H]3C4)nc21 101117286 CLZRCWCUPGPJDU-UPJWGTAASA-N 330.432 2.058 0 1 EEAF O=C(NOCc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 103236023 XKWVXBLZYCTTCW-UHFFFAOYSA-N 328.412 2.319 0 1 EEAF CCCCO[C@@H]1Oc2ccc([C@H](O)Cn3ccnc3)cc2N(C)C1=O 28530787 CYFLQOJDVLORDZ-CRAIPNDOSA-N 345.399 2.115 0 1 EEAF C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)[C@@H](O)C[C@]3(C)[C@]1(C)[C@]21CO1 38421643 VRHZKNFFKJZHFD-DPEWJACVSA-N 334.412 2.138 0 1 EEAF CN1C(=N)N(C)[C@@H](Cc2c[nH]c3cc(Br)ccc23)C1=O 14854578 CLSCJOFOBRTBCX-LBPRGKRZSA-N 335.205 2.180 0 1 EEAF biogenic O=C1NC(NCCc2ccccc2)=N/C1=C\c1c[nH]c2ncccc12 40976101 RWMRJZAHVHGKAJ-WJDWOHSUSA-N 331.379 2.222 0 1 EEAF CCNC(=O)c1cc(Cc2nnc(O)c3c2NCCC3)ccc1F 84689922 LKMJEBNXTOUPSB-UHFFFAOYSA-N 330.363 2.020 0 1 EEAF CC[C@@H](C)Nc1ncc(C(=O)N2CCOCC2)c(-c2ccco2)n1 82142224 QNCHJSDRXSRQNN-GFCCVEGCSA-N 330.388 2.419 0 1 EEAF COc1cc(O)c2c(c1O)[C@H](OC)[C@H]1C[C@](C)(OC)OC[C@H]1C2=O 238749635 WIJFPHJXBDLXRE-RFMXWLSYSA-N 338.356 2.006 0 1 EEAF CC(C)n1c(Nc2cncc(C(C)(C)CO)n2)nc2cncnc21 95597788 QANARQAQGBHTKK-UHFFFAOYSA-N 327.392 2.211 0 1 EEAF NS(=O)(=O)c1ccc(-n2ncc3c2-c2cccnc2SC3)cc1 95573411 HLIMRHGQWNYSKN-UHFFFAOYSA-N 344.421 2.187 0 1 EEAF C[C@@H](c1ncncc1F)[C@](O)(Cn1cnnc1)c1ccc(F)cc1F 299838603 QRAMNBZTYLSISP-MGPLVRAMSA-N 349.316 2.177 0 1 EEAF COC(=O)c1ccnc2nc(-c3cccc(OCC(F)F)n3)[nH]c12 587129363 IOVUCXUFLNPULI-UHFFFAOYSA-N 334.282 2.450 0 1 EEAF CN1C(=O)C[C@@H]2CN[C@@H](c3cccn(C(F)F)c3=O)c3cccc1c32 963037845 WFKHLKXLVCKXFP-QLJPJBMISA-N 345.349 2.386 0 1 EEAF O=C(O)C[C@@H]1CCC[C@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963218013 FMIUUOHSOZGEKM-MAAWUACBSA-N 340.379 2.304 0 1 EEAF O=C(O)Cn1c(=O)c(/C=C/c2ccc(F)cc2)nc2cccnc21 1772597253 XTWQSAMYMKJETG-VMPITWQZSA-N 325.299 2.186 0 1 EEAF CCCC(=O)O[C@H](C)OC(=O)CCC(=O)O[C@@H](C)OC(=O)CCC 28126984 FSOOHUREGIBIFY-RYUDHWBXSA-N 346.376 2.232 0 1 EEAF COc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2OC)ccc1O 2356362332 FAKIGXKXGPZHOO-SJORKVTESA-N 332.308 2.143 0 1 EEAF CO[C@H](C(=O)O[C@H]1C(=O)N2CC[C@H]3CC[C@H]1[C@@]32C)c1ccccc1 6442439 XTAGYWVBMDSJKJ-RUEZSYAVSA-N 329.396 2.317 0 1 EEAF COc1cc2c(cc1OC)[C@]13C[C@H](OC)CCC1=CCN3C[C@@H]2O 2356307732 OKOWTOMZIDGJAC-AZOIQLNYSA-N 331.412 2.387 0 1 EEAF COc1ccc2cc(N3CCOCC3)cc(CCNC(C)=O)c2c1 82150454 AHEMHGXCGLCUEQ-UHFFFAOYSA-N 328.412 2.364 0 1 EEAF CCn1nnc2cc(-c3cc(=O)n4ncc(-c5ncco5)c4[nH]3)ccc21 142825693 LXBPKGNVJPRCIW-UHFFFAOYSA-N 347.338 2.109 0 1 EEAF Cc1noc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 142084070 SHHIOSORWYOVTI-GXSJLCMTSA-N 332.364 2.322 0 1 EEAF COc1ccc(CNS(=O)(=O)C[C@H]2NCCc3ccccc32)cc1 96019111 SXAYKLPWBGULMA-GOSISDBHSA-N 346.452 2.002 0 3 EEAF CO[C@@]12C[C@@]3(CC[C@@H]4c5c(cc(O)c(c53)O1)CCN4C)CC[C@H]2O 256414429 FKUISVKPMQSWTN-VOQHCJDSSA-N 331.412 2.233 0 1 EEAF Fc1cnc(N2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)nc1 299842388 OOFVLMMCLORDDU-BRWVUGGUSA-N 344.390 2.354 0 1 EEAF O=c1cc(-c2cc3nn[nH]c3cc2F)[nH]c2c(-c3ccccn3)cnn12 653677638 FVBXGRWPKWRAMJ-UHFFFAOYSA-N 347.313 2.162 0 1 EEAF Nc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cn1 586983786 IXTNUNDAKZWWHG-SNVBAGLBSA-N 332.205 2.545 0 1 EEAF CNC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576041 DUGJLJDSKPPKIW-YJBOKZPZSA-N 327.336 2.249 0 1 EEAF Cc1cnc(Cl)c2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c12 586930239 BAQXGWOQVAQNQD-UHFFFAOYSA-N 340.792 2.430 0 1 EEAF O=C1CSC[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)N1 587043261 JWNMKLLTUWLHJY-YFKPBYRVSA-N 347.625 2.278 0 1 EEAF CC(C)(C)O[C@@H]1C[C@@]2(N[C@H]3Cc4c2ccnc4C3=O)[C@@H]1n1cccn1 963288561 DLIIPADDWGKVSI-CHWQCYJSSA-N 338.411 2.013 0 1 EEAF Cc1c(O)ccc2c1[C@@](CCCC(C)C)(C(=O)O)N[C@H](C(=O)O)C2 963551395 NJRCOGIZCPABFY-UGSOOPFHSA-N 335.400 2.406 0 1 EEAF COc1cccc2cc3c(nc12)[C@]1(CC(=O)NC2(CCC2)C1)NCC3 963048039 RBPYDDXXZRBGDO-HXUWFJFHSA-N 337.423 2.417 0 1 EEAF CCO[C@H](C)n1nccc1[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962909066 VVRHWVITLZWQLS-OOVXXXAESA-N 333.363 2.266 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2scc3c2OCCO3)N1 962925616 WKVCJZXADLRBQB-GWCFXTLKSA-N 335.356 2.347 0 1 EEAF c1cc2c(ncn3nnc(C4CCN(Cc5cncs5)CC4)c23)[nH]1 1772582643 ZVWLKYCXNDODAP-UHFFFAOYSA-N 339.428 2.442 0 1 EEAF Cc1nn(C)cc1CNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12612034 OTNHOLIABCFDMX-INIZCTEOSA-N 346.475 2.164 0 3 EEAF C1CCCC(N2CN=C(N[C@@H]3N[C@@H]4CCCC[C@H]4S3)NC2)CC1 169300422 VWYPFCRPUPGYHO-INMHGKMJSA-N 337.537 2.406 0 1 EEAF O[C@@H]1CO[C@@H]2[C@H](Nc3nccc(-c4cccc5ccccc45)n3)CO[C@H]12 2356387999 NGIXILPOHDFBIV-NCXUSEDFSA-N 349.390 2.236 0 1 EEAF CCOC(=O)c1cnc2nc(NCc3ccc(CC)cc3)nn2c1O 6752691 DMPROSCZBRATLQ-UHFFFAOYSA-N 341.371 2.181 0 1 EEAF CCCCn1c(=O)c2ccccc2n(CCN2CCCCC2)c1=O 103172203 LPBNYDBKCOQPLW-UHFFFAOYSA-N 329.444 2.449 0 1 EEAF O=S(=O)(CCN1CCCC1)Cc1ccc(Br)cc1 103249100 GZBNEYLHLVLOQM-UHFFFAOYSA-N 332.263 2.460 0 1 EEAF COC(=O)[C@@H]1CN(C=O)C[C@H]1c1ccc(OC)c(OC2CCCC2)c1 26146075 GJNGWOXXNOTIEU-JKSUJKDBSA-N 347.411 2.361 0 1 EEAF COc1cc(CC=CC(=O)NC[C@@H](O)c2ccc(O)cc2)ccc1O 2356551659 NGKYQPBOCVCCDD-QGZVFWFLSA-N 343.379 2.055 0 1 EEAF N[C@@H]1CCN2C(=O)c3cc(C=Cc4ccccc4)ccc3NC(=O)[C@@H]12 2356845322 ODNCENVLRHYENE-SJLPKXTDSA-N 333.391 2.351 0 1 EEAF CCOc1ccccc1C(=O)NCC1(N2CCN(C)CC2)CCCC1 72179822 ONPQCEXLFJTISF-UHFFFAOYSA-N 345.487 2.375 0 1 EEAF COc1ccccc1Nc1nc(NCCO)nc2c1NCN2C(C)C 70719101 LQZWXTHPWJHGOQ-UHFFFAOYSA-N 344.419 2.231 0 1 EEAF CC(=O)O[C@H]1c2cc3ccc(=O)oc3cc2O[C@@H]1C(C)(C)OC(C)=O 13461187 MPSHHPOBEKGMGA-IRXDYDNUSA-N 346.335 2.500 0 1 EEAF biogenic Cn1c(=O)cc(NC2CCOCC2)c2cnn(-c3cccc(F)c3)c21 43123301 RVTIRLCVEXFDEF-UHFFFAOYSA-N 342.374 2.454 0 1 EEAF O=C1CC[C@@]23OCCN(CC4CC4)[C@@H]2Cc2ccc(O)c4c2[C@H]3[C@H]1O4 49036720 CWIDPMIXWFCKMC-DJABAAGCSA-N 341.407 2.005 0 1 EEAF Cc1cc2nc(-c3nnnn3Cc3ccccc3)c(=O)[nH]c2cc1C 95571003 LUSIHMGIWLBWSU-UHFFFAOYSA-N 332.367 2.242 0 1 EEAF COc1cc([C@H](CO)Cc2cc(OC)c(O)c(OC)c2)ccc1O 238764208 YJIYKRGHCVXDMO-ZDUSSCGKSA-N 334.368 2.442 0 1 EEAF CCCCNC(=O)Oc1ccc2nc3n(c(=O)c2c1)CCCN3C 299834384 XKYMEYUPFFNUPW-UHFFFAOYSA-N 330.388 2.125 0 1 EEAF CCC(=O)N1CCO[C@H](c2cc(Nc3nncs3)cc(C)n2)C1 299851536 PSCNRFDNMQDMLB-ZDUSSCGKSA-N 333.417 2.295 0 1 EEAF CNC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587746188 YUDASAQZZCEYDR-RMLUDKJBSA-N 329.213 2.474 0 1 EEAF CC(C)Cc1c(O)nc(SCC(=O)N2CCCCCC2)[nH]c1=O 5095311 PXAMVHRSEUNQMS-UHFFFAOYSA-N 339.461 2.169 0 3 EEAF CC(C)(O)[C@@H]1OC(=O)c2cc(O)c3[nH]c4ccccc4c3c2[C@@H]1O 13399167 JGJWXQATUAEENP-JKSUJKDBSA-N 327.336 2.370 0 1 EEAF biogenic O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Cl)c1 169303915 KVTCHDSYFPESLK-PMXAPFLYSA-N 342.782 2.038 0 1 EEAF Cc1ncc(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)c(CC2CC2)n1 101550351 VVKAWGAZJLUMCB-QTKDSJGBSA-N 341.455 2.407 0 1 EEAF CNc1nc(N)c2c(n1)sc1c(=O)n(-c3ccc(C)cc3)cnc12 101338985 BJPPTGLQJGWMJU-UHFFFAOYSA-N 338.396 2.323 0 1 EEAF CCN1CCCCCC[C@H](NC(=O)c2cc3[nH]nnc3cc2OC)C1 29571176 IGNSJVCHQGVIQR-ZDUSSCGKSA-N 345.447 2.351 0 1 EEAF Cn1c(=O)c2cc(NC(=O)NCc3ccc(F)cc3)ccc2n1C 61895887 ICSHPGGYBUDUDP-UHFFFAOYSA-N 328.347 2.338 0 3 EEAF COc1cc(O)c2c(O)c3c(cc2c1)C[C@@](O)(CC(C)=O)CC3=O 13436844 GDQAGCPSDQTXTM-SFHVURJKSA-N 330.336 2.099 0 1 EEAF biogenic CSCCNC(=O)[C@H](Cc1ccc(O)c(Br)c1)N=O 49517828 UUNUNEUYZUZAFA-JTQLQIEISA-N 347.234 2.311 0 1 EEAF COC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1CCC[C@H](O)CO 43013631 NMRVOQJSHODRKA-LRDDRELGSA-N 332.400 2.357 0 1 EEAF NC(=O)c1c(N)nc(OC2CCCC2)nc1O[C@@H]1CCCC[C@H]1F 84654674 RZOBFPPQBGMJTQ-GHMZBOCLSA-N 338.383 2.139 0 1 EEAF COCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F 82153170 HJGMHOCBBXUYKS-UHFFFAOYSA-N 344.390 2.259 0 1 EEAF COC(=O)c1c(O)c(Cl)c(O)c2c(C)cc(O)c(C(=O)O)c12 85560671 FODLGCGWXQSCPR-UHFFFAOYSA-N 326.688 2.403 0 1 EEAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC(=O)[C@H]1[C@H]3C[C@@H](C[C@H]12)OC3=O 95884389 FJCWYLRNGKSUCH-JLWJMLKLSA-N 344.363 2.431 0 1 EEAF O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@H]1C(=O)O 587971157 VBBIMHKYDVYGEH-PSVAKVPMSA-N 332.209 2.220 0 1 EEAF COC(=O)C[C@]1(c2ccncc2)CC(=O)c2cc(C)cc(N)c2O1 587393857 APFDEXNANSWWSX-SFHVURJKSA-N 326.352 2.396 0 1 EEAF O=C(O)C[C@H](O)Cc1nc2cc(Cl)cc(Br)c2[nH]1 586888557 IOASCAXWYXOPTG-ZCFIWIBFSA-N 333.569 2.357 0 1 EEAF CC(C)(CO)[C@@H](O)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586901400 HEHIMEOAMSAFPV-JTQLQIEISA-N 343.177 2.076 0 1 EEAF O=C(O)C12C[C@H]3C[C@@H](C1)CC(c1ccc4c(O)nc(O)nc4n1)(C3)C2 587561621 TVVJLCBKEYLZQV-URJYKCIISA-N 341.367 2.359 0 1 EEAF NS(=O)(=O)c1cccc2nc(COC/C=C\c3ccccc3)[nH]c12 587780996 ODQSKVDLMAIMPH-YVMONPNESA-N 343.408 2.440 0 1 EEAF CC(C)(C)N1C[C@@H]2C[C@H](C1)C21N[C@H](C(=O)O)Cc2cc(F)ccc21 962891233 CUIHRWYQIDMLOK-REJVHABQSA-N 332.419 2.370 0 1 EEAF Fc1ccc(OCc2nnc(SCCN3CCOCC3)o2)cc1 19823929 XVEUMPXFAGBCBS-UHFFFAOYSA-N 339.392 2.212 0 3 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3c4c(ccc(C)c4C)[C@@H](O)[C@@H]23)OC1=O 2356836989 LFVSQVHIKFDYFI-MWQQHZPXSA-N 342.347 2.294 0 1 EEAF COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)O)cs2)c1 82082977 LZVBEZAVBNGNLY-MRVPVSSYSA-N 336.369 2.030 0 1 EEAF CC(C)(C)Oc1cc(-c2nc3c(O)nc(O)nc3[nH]2)c(N)cc1F 587136868 YARJVSXJBAOSTR-UHFFFAOYSA-N 333.323 2.330 0 1 EEAF O=C(NC1CC1)C1=C[C@@H](c2ccccc2)C[C@@H](OCCCCO)O1 13657365 KWHOUDBIWKMRAI-QAPCUYQASA-N 331.412 2.468 0 3 EEAF CNC(=O)[C@H](CC1CCCCC1)NC(=O)Nc1nnc(S)s1 13796936 UIDLYJIJZDRTDQ-VIFPVBQESA-N 343.478 2.033 0 1 EEAF O=C1Cc2ccc3c(c2CNCCc2cc4c(cc21)OCO4)OCO3 208880756 PTJNYFYOFQGHRY-UHFFFAOYSA-N 339.347 2.215 0 1 EEAF CCCCNC(=O)N1C[C@H](N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 1857772897 AFTJCCVUPUEBEX-AWEZNQCLSA-N 342.447 2.368 0 1 EEAF CO[C@]12C[C@@]3(CC[C@@H]1O)CC[C@@H]1c4c(cc(O)c(c43)O2)CCN1C 3652456 FKUISVKPMQSWTN-GPDMMJAESA-N 331.412 2.233 0 1 EEAF O=C(O)CCCc1ccc(NC(=O)[C@@H](O)[C@H](O)c2ccccc2)cc1 26575507 FIBDCYWSAATLNF-MSOLQXFVSA-N 343.379 2.127 0 1 EEAF CC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@@H](C)[C@](O)(c4ccccc4)[C@H](C[C@@]1(C)O)N32 238732907 DCDDFWOASGCFGZ-JMMKEXGVSA-N 343.467 2.476 0 1 EEAF O=C(NC1CCCCC1)C1=C(O)C[C@@H](Cc2ccccc2)NC1=O 100076039 PZQPGUWMEFYIJY-OAHLLOKOSA-N 328.412 2.379 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)n(C)c(=O)n3C)O2 587398920 JMBDAYBQVOFZJF-KRWDZBQOSA-N 337.379 2.474 0 1 EEAF COC(=O)[C@@H]1CC(C)(C)C[C@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963506847 GEDVEGSOAYKPEX-JMERFSKESA-N 347.411 2.104 0 1 EEAF Fc1ccc(NC(=S)Nn2c(S)nnc2-c2cnccn2)cc1 1772645971 CYOGDFUXLRFXQX-UHFFFAOYSA-N 347.404 2.103 0 1 EEAF CCCN(C[C@H]1CCCO1)C(=O)CCc1nnc(-c2cc(C)on2)o1 12093218 MTEQEABYZIHNGJ-CYBMUJFWSA-N 348.403 2.383 0 3 EEAF CCCCNC(=O)[C@@H]1C[C@@H](Cc2ccccc2)CN1C(=O)[C@@H](N)CC 13675984 CADQCYDPKBWFDJ-SQNIBIBYSA-N 345.487 2.100 0 1 EEAF Cc1ccc(CCCn2cnc3c2NC=NC[C@H]3O)c(C(=O)O)c1 13807494 FREWRWWQQNHHSI-CQSZACIVSA-N 328.372 2.010 0 1 EEAF Nc1nc(N)c2cc(S(=O)(=O)Cc3ccc(Cl)cc3)ccc2n1 169324816 HPQSEXAPUWATTA-UHFFFAOYSA-N 348.815 2.422 0 1 EEAF CN(Cc1ccccc1)c1cccc(C(=O)N[C@@H]2CCN(C#N)C2)n1 1857599112 MURCJUZFRZIJMS-MRXNPFEDSA-N 335.411 2.003 0 1 EEAF Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1ccccn1)C2 4237993 XUONWEWKNLLSSN-UHFFFAOYSA-N 326.400 2.429 0 1 EEAF Cc1csc2nc(=O)c(C(=O)NCCCc3ccccc3)c(O)n12 10166729 MNFPWPUEBFWPIX-UHFFFAOYSA-N 343.408 2.133 0 3 EEAF O=C(Nc1cc(Cl)ccc1OCCO)c1cnn2cccnc12 113652945 BZAAMMWCOJWKLQ-UHFFFAOYSA-N 332.747 2.006 0 1 EEAF O=C(CN1CCC(c2cccc[n+]2[O-])CC1)Nc1ccc(F)cc1 28604407 SMTXGNDHLSQCHW-UHFFFAOYSA-N 329.375 2.277 0 1 EEAF CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1cccs1 20531729 LIPLDPCUDYEXMZ-UHFFFAOYSA-N 334.441 2.092 0 1 EEAF O[C@@H]1[C@@H](NCc2ccco2)[C@H]2CO[C@@H](O2)[C@@H]1Sc1ccccc1 2356847941 PAWLIULBPCWXBA-JJTUDDRGSA-N 333.409 2.015 0 1 EEAF CC(C)NC(=O)c1cc([C@@H]2CCCCN2C(=O)OCCF)on1 61930267 BKZNHQVLLSQVCC-LBPRGKRZSA-N 327.356 2.446 0 3 EEAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@H]1CCCCC(=O)O 71758164 XHHYJZGDOMKLEE-DYVZBPGMSA-N 328.449 2.487 0 1 EEAF in-man CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccncc4)n3c2c1 95597336 LUPWGSHPWCTGJI-UHFFFAOYSA-N 332.367 2.398 0 1 EEAF C[C@@]12C[C@@H](O)C[C@@](C)(CO)[C@@H]1CCC1=C[C@](C)([C@H](O)CO)CC[C@@H]12 238768148 NRYNTARIOIRWAB-JPPDAWHYSA-N 338.488 2.252 0 1 EEAF CC1(C)CCC[C@@]2(C)[C@@H]3C=C4OC(=O)C(CO)=C4[C@@H](O)[C@@]3(O)CC[C@H]12 238747064 AJEHFJUQBMCCBA-UFHWLQSSSA-N 348.439 2.064 0 1 EEAF COc1cc(Cn2cnc3nc(N)nc(N)c32)c(C(C)C)cc1OC 96924155 PDWNTWIWVFPFBH-UHFFFAOYSA-N 342.403 2.180 0 1 EEAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccnc(O)c2[nH]1 587193752 GKQBLLKSVZJAJM-NSHDSACASA-N 335.408 2.181 0 1 EEAF NC[C@@H]1C[C@]2(N[C@H](C(=O)O)Cc3cccc(F)c32)c2ccccc21 962904174 CBICRDOGMUMYIH-UVIMBBFXSA-N 326.371 2.114 0 1 EEAF COC(=O)[C@@]1(c2ccc(F)c(F)c2)NCCc2nc3ccccn3c21 962985629 QHSBUSZHQSEJLE-SFHVURJKSA-N 343.333 2.175 0 1 EEAF CCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21 13839070 RQRZOXXRPAXFGJ-UHFFFAOYSA-N 343.387 2.045 0 1 EEAF CN(Cc1nc(-c2cnccn2)no1)Cc1[nH]nc2c1CCCCC2 15961910 OKCUOEDRTCKGEU-UHFFFAOYSA-N 339.403 2.151 0 3 EEAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1cccc(Cl)c1 169303913 KVTCHDSYFPESLK-JNWWKETESA-N 342.782 2.038 0 1 EEAF CCCCNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCO2 201447837 KRQUAZYLYLXQKR-ZDUSSCGKSA-N 333.388 2.328 0 3 EEAF Cc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccnc1 201448379 SKWGFONGWLFXBC-MRXNPFEDSA-N 345.424 2.182 0 3 EEAF CCOC(=O)c1cnn(-c2ncnc3sc4c(c23)CCC4)c1N 295818 YIQALKFLIBWQFK-UHFFFAOYSA-N 329.385 2.125 0 3 EEAF CC(C)c1nccc(C[C@@H]2[C@H](NC3CCCCC3)C[C@@H](O)[C@H]2CO)n1 2356321252 AVQKAVDJHZVBMN-INDMIFKZSA-N 347.503 2.423 0 1 EEAF CN1CCN(c2nc3ccccc3nc2OCc2ccncc2)CC1 29053562 NOEMOGZOFWZIBQ-UHFFFAOYSA-N 335.411 2.356 0 1 EEAF CC(=O)c1ccc(NC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 30988214 ARFXMDAGWKFAIX-UHFFFAOYSA-N 333.369 2.181 0 1 EEAF Cc1ccc(CN2[C@@H](Cc3ccccc3)C(=O)CS2(=O)=O)cc1 36383072 WISRKKLPJFCDFI-KRWDZBQOSA-N 329.421 2.321 0 3 EEAF COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@H]2c1ccc(C)cc1 73168833 CAKPDDSZJXLQHN-KRWDZBQOSA-N 332.425 2.155 0 1 EEAF CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@H](C(=O)c3ccccc3)O[C@@H]2O1 31872481 INTCVMYMFRDPEA-UVPYHEFZSA-N 334.368 2.266 0 1 EEAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ncn1)nn2C1CC1 1911573011 MUEGFNBPATYATE-UHFFFAOYSA-N 337.265 2.345 0 1 EEAF C[C@@H]1CNc2c(NCC3CC3)c(=O)n(CC3CCCCC3)c(=O)n21 82211844 UQYROQJPSWBSJS-GFCCVEGCSA-N 332.448 2.399 0 1 EEAF COc1ccc(NC(=O)Nc2ccc3c(c2)S(=O)(=O)N=C3O)cc1 84586967 LRHCHBXCXMKGAS-UHFFFAOYSA-N 347.352 2.346 0 1 EEAF CCc1nc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cs1 82072848 HNDKDJXWHKULMZ-CYBMUJFWSA-N 333.413 2.220 0 1 EEAF COc1cc2c(cc1OCCCCO[N+](=O)[O-])CO[C@@H](C)C2=O 95560334 LEHLCNLCCCSHFI-JTQLQIEISA-N 325.317 2.164 0 1 EEAF CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1CC(=O)Nc1cccc(O)c1 25427588 GJGAAOSUBHQAJS-QWHCGFSZSA-N 340.445 2.029 0 1 EEAF biogenic COc1cc(O)c2c(c1)C=CC[C@H](O)[C@H](O)C=C[C@H](C)[C@@H](C)OC2=O 299811652 NAWYJXUUEIIVTF-SHUKQUCYSA-N 348.395 2.277 0 1 EEAF CO[C@H]1CCN(C(=O)Cc2ccsc2)[C@H]2CN(CC3CC3)C[C@@H]12 299842937 KNZGHELMSNPDLY-IKGGRYGDSA-N 334.485 2.248 0 1 EEAF C[C@H](C(=O)O)c1cc2c(O)nc(O)nc2nc1-c1cccc(F)c1 587368018 GJWRYPRPKGHCPJ-ZETCQYMHSA-N 329.287 2.430 0 1 EEAF Cc1cccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 586958279 HFAFMZOJKWSEGM-MRXNPFEDSA-N 331.397 2.340 0 1 EEAF COc1cc2c3c(c1)O[C@H](CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587440335 YOOZOMSZEBKKMN-GDBMZVCRSA-N 349.342 2.107 0 1 EEAF CNC(=O)c1cc(Oc2ccc(-c3noc(COC)n3)cc2)ccn1 1857763388 RNRAESWTNSEYNV-UHFFFAOYSA-N 340.339 2.430 0 1 EEAF C[S@](=O)CCn1c(Cn2nnc3ccccc32)nc2ccccc21 26251873 RKLGYXKJAPAMOF-XMMPIXPASA-N 339.424 2.208 0 1 EEAF CC(C)c1nccc(C[C@@H]2[C@H](NC3CCCCC3)C[C@H](O)[C@H]2CO)n1 2356321254 AVQKAVDJHZVBMN-OKYOBFRVSA-N 347.503 2.423 0 1 EEAF CC(C)[C@@H]1C[C@H](O)[C@]2(C)C[C@H]3[C@@H]([C@@H](O)C[C@H]3CO)[C@@](C)(O)CC=C12 2356334634 KRGUNUMKPQQOQA-UCOOMCQCSA-N 338.488 2.106 0 1 EEAF COc1ccc2c(c1)c(S(=O)(=O)c1ccccc1)cn2CCN 28383837 UJKUGXNOEPNXDC-UHFFFAOYSA-N 330.409 2.441 0 1 EEAF CCCCC[C@H](O)C=C[C@@H]1OC(=O)C[C@@H](O)[C@H]1CC=CCC(=O)O 2356625529 PJAAKFHMQLYVGV-JJXSEGSLSA-N 340.416 2.197 0 1 EEAF O=C1CC[C@@H]2[C@H]3C[C@H]4N(CC[C@@]45c4ccccc4N1[C@H]25)CC3=CCO 2356737950 NATQMIMPIXYWIZ-LPGIAKBLSA-N 336.435 2.076 0 1 EEAF Cc1ccc(-c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 45386763 WQQAQSRICANYHW-MRXNPFEDSA-N 348.358 2.063 0 1 EEAF NC(=O)Cc1ccc(Nc2nc(-c3ccccc3)ncc2C(N)=O)cc1 96938256 CXQFHEMGWUKPOW-UHFFFAOYSA-N 347.378 2.014 0 1 EEAF COc1cc2ncnc(-n3ncc(-c4ccccn4)c3N)c2cc1OC 653784868 KTMJDHFTRVMDPG-UHFFFAOYSA-N 348.366 2.477 0 1 EEAF C[C@]1(c2nc3ccc(C(N)=O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174486 PUGQZIUKWDWALQ-GOSISDBHSA-N 339.326 2.429 0 1 EEAF CCOc1ccccc1[C@@](N)(c1nc2ncc[nH]c-2n1)C(F)(F)F 587091465 DJWFWCMWZCKQBU-CQSZACIVSA-N 337.305 2.468 0 1 EEAF Nc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1N 586967404 VYBSLUKAQCHJDI-UHFFFAOYSA-N 339.384 2.465 0 1 EEAF CCC[C@@]1(CC(=O)OCC)NCCc2ccc(C(=O)N(C)C)cc21 962924095 MVLRXKUTQJNAEC-IBGZPJMESA-N 332.444 2.483 0 1 EEAF C[C@@H](CO)Nc1nc(Nc2ccc(F)c(F)c2)nc2c1cnn2C 1772587380 CCILGSVREHQCDN-QMMMGPOBSA-N 334.330 2.178 0 1 EEAF O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 13801208 STBHTUOPFMOXDX-FVCZOJIISA-N 341.407 2.387 0 1 EEAF Oc1ccc2c([C@@H](O)CNCCOc3ccccc3)ccc(O)c2n1 1857593594 QWOHLTIRTAWJNE-KRWDZBQOSA-N 340.379 2.348 0 1 EEAF CCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341 28764547 FSCQVYBJKCUYMM-VYCUNPCFSA-N 327.424 2.281 0 1 EEAF Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCCC4)c3c2c1 4961742 ADVWSYOOBVZWEF-UHFFFAOYSA-N 325.368 2.464 0 1 EEAF O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1N/C=C1\C=Nc2ccccc21 104015822 AKRGZQAXQXGGAE-HNQSLYEISA-N 331.375 2.301 0 3 EEAF CC1(C)NC(=O)N(C[C@@H](O)COc2ccc(C3CCCC3)cc2)C1=O 66075658 WULAWOWBKGPGCA-OAHLLOKOSA-N 346.427 2.414 0 1 EEAF O=C(CCc1ccc2cc(O)ccc2c1)NC1=C(C(=O)O)COCC1 34853743 YJZURINMMFXQKU-UHFFFAOYSA-N 341.363 2.353 0 1 EEAF COc1cccc(CCN2[C@H]3[C@@H]4[C@H]5C[C@@H]6[C@@H]4[C@]2(O)[C@H]2[C@H]6[C@@H]5[C@@H]32)c1OC 254086125 FOTUXOOYRRRHFQ-ZDBFSWRQSA-N 339.435 2.007 0 1 EEAF CCOC(=O)C[C@]1([C@@H]2CCOC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454681 VXYZEJARSPBCJE-BBEGDGIKSA-N 346.379 2.171 0 1 EEAF Cn1cc(C(=O)c2c(-c3cnn(C)c3)[nH]c3c(C(=O)O)cccc23)cn1 587639370 TXAKFVWABYKKHM-UHFFFAOYSA-N 349.350 2.231 0 1 EEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2nc(Cl)c[nH]c-2n1 587225339 PZSOWLRYIAAHSU-SECBINFHSA-N 331.763 2.042 0 1 EEAF CC1=C(c2ccc3[nH]c(-c4ccc(N(C)C)cn4)nc3c2)NNC(=O)C1 587194843 PFHMUHCCENIFTA-UHFFFAOYSA-N 348.410 2.446 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(CO)cc2[nH]1 587232548 ZAJNRYFFFUTXMF-UONOGXRCSA-N 331.416 2.092 0 1 EEAF CN1C(=O)C[C@H]2CN[C@]3(CCOc4c(N)cccc43)c3cccc1c32 963025252 JSMBBVKKGHVDFD-FKIZINRSSA-N 335.407 2.348 0 1 EEAF O=[N+]([O-])c1ccc(S(=O)(=O)n2ncc3cc([N+](=O)[O-])ccc32)cc1 34311123 DWSQCPDKVAOELA-UHFFFAOYSA-N 348.296 2.090 0 1 EEAF CC(=O)C1=CC[C@H]2C3=CCC4=C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 5601877 IWQKGRNFKYKJHS-SPKZCENISA-N 344.451 2.297 0 1 EEAF CN(CCc1cn[nH]c1)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12718200 HJZLWYKBOPUGLW-QGZVFWFLSA-N 346.475 2.230 0 3 EEAF Cc1cc(-c2nnc(CCC(=O)NCCc3ccccc3F)o2)no1 14951707 URSQEAMMRBRPPT-UHFFFAOYSA-N 344.346 2.464 0 3 EEAF CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)[C@H]2CN2CCSCC2)[C@@H]13 200441592 LVADMCMGNPLWNA-DTZQYVILSA-N 349.496 2.481 0 1 EEAF COC[C@H](O)CN1CCC(=O)N(CC=C(C)C)Cc2ccccc21 205126346 AKNHWLVBRDILIB-QGZVFWFLSA-N 332.444 2.199 0 1 EEAF O=C(N[C@H]1CCCCNC1=O)c1ccc2[nH]nc(-c3ccncc3)c2c1 205037628 AMFJMDIQTRSKQE-INIZCTEOSA-N 349.394 2.023 0 1 EEAF COc1cc2c(cc1O)-c1c3c(cc4c1[C@@H](C2)N(C)C[C@@H]4O)OCO3 2356331562 ZKVBEKITZRNFLX-OCCSQVGLSA-N 341.363 2.373 0 1 EEAF CC1(C)CC(=O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@]12O)[C@@](O)(CO)C3 2356464974 HBNVVMQCGSVOKF-LHHLYORUSA-N 336.472 2.437 0 1 EEAF CN1C(=O)C[S@](=O)c2ccc(C(=O)NCCC3=CCCCC3)cc21 4688845 NEXVUTXNKVQTEP-XMMPIXPASA-N 346.452 2.391 0 3 EEAF O=C(O)c1cn(C2CC2)c2c(Cl)c(N3CCNCC3)ccc2c1=O 27198923 VRRLNRJLMXYVAS-UHFFFAOYSA-N 347.802 2.098 0 1 EEAF CO[C@@H]1O[C@H](O)[C@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5C[C@H]2N4[C@H](C)[C@@H]13 2356475014 MCELWEQVMZEFMT-PAODPRPBSA-N 340.423 2.411 0 1 EEAF OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=N[C@H]2O 38493646 WRWQGLJVKHCNMY-KRWDZBQOSA-N 340.770 2.255 0 1 EEAF O=C1O/C(=C\Cn2cnc3c(Cl)c(F)nc(F)c32)C(O)=C1O 473159170 WWVPVKXVHYXZDZ-RJRFIUFISA-N 329.646 2.131 0 1 EEAF O=C(Cc1ccccc1)NCCc1nc2cc3nc(O)[nH]c3cc2[nH]1 587228505 NEMXKAHDONFQNW-UHFFFAOYSA-N 335.367 2.046 0 1 EEAF CCCc1nc(-c2nc3c(O)nncc3[nH]2)nn1-c1ccccc1F 587154949 HHSJDCOSGKDEDU-UHFFFAOYSA-N 339.334 2.398 0 1 EEAF Cc1ccnc2c1CCN[C@]2(CC(=O)c1cnn(C)c1)C(F)(F)F 963075508 SHQKRXQRGOTTOL-HNNXBMFYSA-N 338.333 2.300 0 1 EEAF Cc1cc(C(=O)N2CC[C@H](C3CCN(CC(C)C)CC3)C2)nc(N)n1 12715011 GOVILGJXNDMUQB-INIZCTEOSA-N 345.491 2.197 0 1 EEAF Nc1ncnc2c1ncn2C[C@@H](O)CSc1ccc(Cl)cc1 169318243 CEIQKKCJZJNVDN-SNVBAGLBSA-N 335.820 2.215 0 1 EEAF CCC(=O)NCc1ccc(OC[C@H](O)CNC(C)C)c(Cl)c1 169335415 BMCUDJZUWJHKTH-CYBMUJFWSA-N 328.840 2.104 0 1 EEAF COc1cc(O)c2c(c1)/C=C/CC[C@H](O)[C@H](O)/C=C\C[C@H](C)OC2=O 169727612 HZGOYSKUPKXELQ-DKEMVWPTSA-N 348.395 2.421 0 1 EEAF COC(=O)CN[P@](=O)(CC/C=C(\C)CO)Oc1ccccc1 1857640407 WNPOXOGRLMLJCX-PTHHNIJRSA-N 327.317 2.350 0 1 EEAF CO[C@@H]1C(=O)CC[C@@H]2C[C@@H]3c4cc5c(cc4CCN3C[C@@H]12)OCO5 2356337819 DJSHXEFAWZEGPN-ARIYCQTNSA-N 329.396 2.329 0 1 EEAF COc1ccc(CCN2[C@@H]3[C@H]4[C@H]5[C@@H]6[C@@H]7C[C@H]5[C@@H]3[C@H]7[C@]2(O)[C@H]64)cc1OC 101592025 KULMFBVVFDTVNX-HVMZSMARSA-N 339.435 2.007 0 1 EEAF COc1cc(C[C@H](C)NO)c(OC)cc1I 26016625 NCMQBVDCEKNHMV-ZETCQYMHSA-N 337.157 2.218 0 1 EEAF OCCCNc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](O)CC2)n1 103242215 ISCXJKAZTPOPNW-OKILXGFUSA-N 343.431 2.048 0 1 EEAF O=C1CN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CCN1 27096553 UDFINYYIZQZTKF-SFHVURJKSA-N 327.815 2.355 0 1 EEAF CC(C)(O)[C@H](O)Cc1c(O)c(C=O)cc2c1[nH]c1cc(O)ccc12 15272375 JHHGPIIJIJILMJ-OAHLLOKOSA-N 329.352 2.219 0 1 EEAF biogenic CN1C(=O)[C@@](c2ccsc2)(c2cccc(-c3cncnc3)c2)N=C1N 72177500 GCIHPVGAAJVLEF-SFHVURJKSA-N 349.419 2.235 0 1 EEAF O=C(Oc1cccs1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 43017247 IUSSLJOYXUGBRO-UHFFFAOYSA-N 346.755 2.450 0 1 EEAF CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@H](C)CN2 82211230 ZEWRRVNSDIBMAW-LLVKDONJSA-N 332.379 2.158 0 1 EEAF COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3C=[N+]1CC2 85618080 GPWBIAYJTQQLOL-HNNXBMFYSA-O 326.372 2.400 0 1 EEAF in-vitro Cc1cc(NC(=O)c2ccc3cc4n(c3n2)[C@@H](C)[C@H](C)NC4=O)no1 147135278 UJUORBDBVOLWSF-UWVGGRQHSA-N 339.355 2.278 0 1 EEAF C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NC1(C)CCCCC1 618013217 HWVWIUSQRATADH-VBQJREDUSA-N 344.459 2.033 0 1 EEAF CCc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1 587561738 VJNLFCJHIKPOLI-UHFFFAOYSA-N 325.324 2.293 0 1 EEAF O=C(O)/C=C/C=C\c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587969115 QIGIYGRLJHPGGF-MVTUOISNSA-N 337.339 2.276 0 1 EEAF CCc1nn(C)c(OC)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433588 ZJLTYXYKBFWEAM-DIFFPNOSSA-N 328.368 2.488 0 1 EEAF Nc1cc(C(=O)O)ccc1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 587249775 MWEWPNKSZQCEPZ-UHFFFAOYSA-N 337.261 2.195 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)-c1cnn(-c2ccccc2)c1CC3 587558341 QWGGDXKEBIJBKE-UHFFFAOYSA-N 331.335 2.387 0 1 EEAF O=C1COC(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)=NN1 1772615507 HKNKYGCHKIJAEO-UHFFFAOYSA-N 329.743 2.400 0 1 EEAF CN(C)c1ccc([C@H](Cc2ccccc2)[C@H]2NC(=S)NC2=O)cc1 5549663 QYIJHYMUTGAMGF-DLBZAZTESA-N 339.464 2.452 0 1 EEAF COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O 209692158 CRBBMTVUBHEEAI-AWEZNQCLSA-N 328.368 2.033 0 1 EEAF CCNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 114399158 HITVHYHCWXALKZ-MRXNPFEDSA-N 335.411 2.491 0 1 EEAF CNC(=O)c1cc([C@H](O)CN[C@H](C)CCc2ccccc2)ccc1O 27737248 IGMABZYDUYLHHS-AUUYWEPGSA-N 342.439 2.396 0 1 EEAF COc1ccc(OC[C@@H]2SCCN2C(=O)CSC(C)=O)cc1 27559840 SVYZOJWYLZMRGR-HNNXBMFYSA-N 341.454 2.255 0 1 EEAF N[C@@](CCc1ccc(C(F)(F)F)cc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O 27208152 RYXOROIRCHCEMQ-COPLHBTASA-N 331.290 2.141 0 1 EEAF CC(C=C[C@@H]1[C@](C)(O)[C@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@]21C)=CCO 2356523451 RMAJUEUHZWCNQM-VOSWSFSHSA-N 338.488 2.416 0 1 EEAF Cc1cccc(CNC(=O)c2nc(-c3cccs3)[nH]c(=O)c2O)c1 28820286 GTEGUHHUOZACRM-UHFFFAOYSA-N 341.392 2.442 0 1 EEAF COc1ccccc1CC(=O)N1CCc2cccc3c2[C@@H]1CNC3=O 45339744 BAXKWKQFMJVMKI-INIZCTEOSA-N 336.391 2.107 0 1 EEAF C/C=C1/CN[C@@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3C[C@H]1[C@H]2CO3 85531870 ZXRGGMATGWCUBP-DDVBLMOESA-N 340.423 2.176 0 1 EEAF biogenic,in-vitro CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1 5848136 SRVXWYYRMVVKDR-UHFFFAOYSA-N 347.390 2.001 0 1 EEAF O=c1[nH]c2c(c(=O)n1Cc1ccccc1)CN(Cc1ccccc1)CC2 138898682 NNEZPVQLUJLVET-UHFFFAOYSA-N 347.418 2.143 0 1 EEAF CCN(C)[C@H](C)CN1CCc2c(c(=O)oc3cc(OC)ccc23)C1 27741661 NHTANWAFUWLPQG-CYBMUJFWSA-N 330.428 2.500 0 1 EEAF CC[C@]12CCCN3C(=O)[C@H](O)[C@H]4c5ccccc5N(C(=O)CC1)[C@@]432 2356490436 IPLKUIIZTYHLIU-ZAWLATJESA-N 326.396 2.000 0 1 EEAF COc1ccc(CCn2nnn[n+]2C2(c3ccc(C)cc3)CC2)cc1 38149896 WDLQOFFPNGGHHE-UHFFFAOYSA-N 336.419 2.058 0 1 EEAF CC[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)CCC1=O 299863117 KRQAJVOXQDVGKA-LBPRGKRZSA-N 342.317 2.249 0 1 EEAF COc1ccccc1OCc1nn2c(=O)c(C(C)(C)C)nnc2s1 299826810 DYVOEAAKRZEMSL-UHFFFAOYSA-N 346.412 2.431 0 1 EEAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 586879841 NVRSEZRTHVAHHT-YVMONPNESA-N 332.323 2.303 0 1 EEAF O=C(NCc1nc2cc(C(F)(F)F)cnc2[nH]1)c1cscn1 587027745 GCNURBMHNKFTOO-UHFFFAOYSA-N 327.291 2.363 0 1 EEAF COCc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)no1 963231499 MTJVOYGGWNOIFY-IRXDYDNUSA-N 339.351 2.058 0 1 EEAF COCCN1C(=O)C(=O)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1 169687363 GQHWBFUTRHTKQP-GJZGRUSLSA-N 343.404 2.346 0 1 EEAF C[C@@H](NC(=O)COC(=O)c1ccc(CO)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101834388 XJGWAXYGPLSXAE-ODVANORSSA-N 331.412 2.277 0 1 EEAF Cn1ccc2c1-c1[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc1CC2 53230050 YXFOSODNSHUVBQ-UHFFFAOYSA-N 340.404 2.312 0 1 EEAF COc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 73138701 HAXNZSXXNACCNM-UHFFFAOYSA-N 347.396 2.026 0 1 EEAF COC(=O)[C@H](C)Nc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 82161925 AGBMKHIRUHOQOA-JTQLQIEISA-N 347.371 2.143 0 1 EEAF Cc1cc(C(=O)N2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)c(C)[nH]1 96100714 IEVWPWPCSHNCJV-IAOVAPTHSA-N 326.400 2.414 0 1 EEAF C[C@@]1([C@H](O)CO)C=C2CC[C@@H]3[C@@](C)(CO)CC(=O)C[C@@]3(C)[C@@H]2CC1 238737484 DMTGVNZTCBSUQP-CPPNMTBBSA-N 336.472 2.460 0 1 EEAF COc1cc2ccnc3c2c2c1O[C@@]1(OC)C[C@@]2(CC[C@H]1O)CC3=O 238767863 BPPPUYBMVFXVFI-ZNOIYHFQSA-N 341.363 2.348 0 1 EEAF COc1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 586960196 WMMBOSKPMLKUAH-MRXNPFEDSA-N 347.396 2.040 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nncn2C)N1 587752463 FDFOAPGHNPMQLY-MADCSZMMSA-N 325.185 2.340 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(CCOC[C@@H]1C(=O)OC)CC2=O 587482229 DFAOBEXIWIUFHM-ACJLOTCBSA-N 334.368 2.258 0 1 EEAF COCCN1C(=O)C[C@@]2(C=C1C)CC(=O)c1cc(C)cc(N)c1O2 587392925 XPZQTNDVUPDGOZ-GOSISDBHSA-N 330.384 2.064 0 1 EEAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(N)ncnc2[nH]1 587235759 RNRXHTFBCQWMQF-NXEZZACHSA-N 332.408 2.486 0 1 EEAF COc1cncc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c12 587223777 GBMVXLSIQWQYEN-LLVKDONJSA-N 326.356 2.050 0 1 EEAF O=C1CCCC[C@H]1[C@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 5539396 MYKWGWFKZSAUSU-NVXWUHKLSA-N 329.396 2.467 0 1 EEAF CCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@H]1c1cc(OC)ccc1OC 169690585 WVCFUNXSAZIWJA-CABCVRRESA-N 344.371 2.170 0 1 EEAF CN(C(=S)Nc1ccccc1)[C@@H]1CC[C@@H](C2OCCO2)C[C@@H]1O 4116769 MSOCHUTXXFQEET-YUELXQCFSA-N 336.457 2.218 0 1 EEAF COC(=O)C1=C2[C@](C)(C(=O)OC)[C@H](O)CC[C@]2(C)c2ccccc21 2356403471 KHTLNUGTVKMWNG-UPRAQXHNSA-N 330.380 2.219 0 1 EEAF COc1cccc(CNS(=O)(=O)c2ccc3c(c2)N(C)CCO3)c1 6781564 SKXRQQHMQZVUIB-UHFFFAOYSA-N 348.424 2.002 0 3 EEAF NC(=O)C[C@H]1CC[C@H](c2ccc(-c3cncc(C(N)=O)n3)cc2)CC1 101581719 ASMVUYHQXNPNLI-BETUJISGSA-N 338.411 2.392 0 1 EEAF COCCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCSC)[C@@H]1C 53598297 POFFHJOYUPFBAU-MFKMUULPSA-N 343.445 2.083 0 1 EEAF COc1cccc([C@@H]2[C@@H]3C(=NN2C(C)=O)C2CCN3CC2)c1OC 20437745 PKDFJLIMQYVKMO-SJORKVTESA-N 329.400 2.057 0 1 EEAF CO[C@@H]1C(=O)CC[C@@H]2C[C@H]3c4cc5c(cc4CCN3C[C@@H]12)OCO5 2356337818 DJSHXEFAWZEGPN-AGRPXIAWSA-N 329.396 2.329 0 1 EEAF COCc1cc(/C=C/c2ccccc2OC[C@H](O)CNC2CC2)on1 29248325 XAJFWHVOWDWLIO-RCMYXZNBSA-N 344.411 2.483 0 1 EEAF CCCOCOCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 28762884 IKCHWYBWBNNLGY-KRWDZBQOSA-N 325.449 2.368 0 1 EEAF CCOC(=O)[C@H](CNC(C)=O)c1cn(C(=O)OCC)c2ccccc12 27767849 GVGIXMDLOUUUEL-CQSZACIVSA-N 346.383 2.429 0 1 EEAF COC(=O)[C@@]1(O)c2ccccc2[C@@]2(C)CC=C[C@@](C)(C(=O)OC)[C@@H]21 2356694728 DYTMETPHCBJJLH-UTRMSSBJSA-N 330.380 2.074 0 1 EEAF O=S(=O)(Cc1ccc(F)cc1)Nc1ccc2c(c1)CCNCC2 40950564 CNDWELBWSKRQPF-UHFFFAOYSA-N 334.416 2.456 0 1 EEAF COc1c2c(cc3oc(CO)cc(=O)c13)O[C@H]1[C@@H]2CCC[C@@]1(C)O 85594503 BQKKVRYZINTZPY-KTTLUUMZSA-N 332.352 2.073 0 1 EEAF biogenic,in-vitro c1ccc(CN2CC[C@H]3O[C@@H](COCCN4CCCC4)CC[C@@H]32)nc1 299842624 VZVYQYFZWKVBAH-HSALFYBXSA-N 345.487 2.316 0 1 EEAF NC(=O)c1cccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 587177690 UKEGKHYXGXZKES-UHFFFAOYSA-N 325.347 2.463 0 1 EEAF CN(CCO)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570147 ICMDEHGPJMNICV-QFBILLFUSA-N 343.379 2.037 0 1 EEAF CS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccccc2)cc1 13439566 AKYAXJLSWCRMRL-UHFFFAOYSA-N 328.393 2.435 0 1 EEAF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)CN)cccc2-3)cc1 13492126 HCADPEFEJYIIGO-UHFFFAOYSA-N 348.362 2.194 0 1 EEAF Cc1cccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)c(C)oc2=O)c1 13803973 UALGIHWFQTYUOP-UHFFFAOYSA-N 344.392 2.362 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Cl 169360886 ATWGPAAGZWQRJW-FGVNRAKHSA-N 342.782 2.038 0 1 EEAF CCOC(=O)c1c(O)cc(-c2c(O)cc(C(=O)OC)cc2O)cc1O 14725666 JWAXRMRXVQSVBZ-UHFFFAOYSA-N 348.307 2.139 0 1 EEAF biogenic O=C1CCN(c2ccccc2C(=O)NCCc2ccccc2)C(=O)N1 473115319 RRCDYTXZDQEOJK-UHFFFAOYSA-N 337.379 2.105 0 1 EEAF CC(C)(C)OC(=O)N1C[C@H](c2nc3c(O)ncnc3[nH]2)C(F)(F)C1 587131749 BZSZEXXCDYPDDA-SSDOTTSWSA-N 341.318 2.028 0 1 EEAF CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)CN1 587798083 UHKFIXLSIYXXJZ-GLEZIHRCSA-N 339.208 2.394 0 1 EEAF C[C@]1(CC(=O)c2ccccn2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962921991 OBSFIDHEHQBBGH-MAUKXSAKSA-N 328.343 2.308 0 1 EEAF C1=CC2=C(Cc3nnc(Cc4nc5ccccc5[nH]4)o3)CN[C@@H]2C=C1 1772633306 QODIOKLYPVTMKD-CQSZACIVSA-N 331.379 2.474 0 1 EEAF COc1cc([C@H]2SCC(=O)N2NC(=O)c2ccccc2)ccc1O 1772582158 RJQFMPXDUISULR-QGZVFWFLSA-N 344.392 2.320 0 1 EEAF O=c1oc(-c2ccccc2)nn1Cc1cn(Cc2ccccc2)nn1 1857557812 MVCVWYCCKMJNDO-UHFFFAOYSA-N 333.351 2.191 0 1 EEAF CCOC(=O)[C@]1(Cc2c[nH]c3ccccc23)[C@H](O)CCCN1C(C)=O 1858579 PBCTUFWZRPYFQI-MJGOQNOKSA-N 344.411 2.016 0 1 EEAF CCOC(=O)C1=C(N)Oc2cc(N(C)C)ccc2[C@H]1c1cccnc1 103253056 PJWPCWYMLMXIPY-MRXNPFEDSA-N 339.395 2.405 0 1 EEAF COc1ccccc1NC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 8406114 MBPUEFMNPUVMQP-AGIUHOORSA-N 330.384 2.197 0 1 EEAF Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2[C@H]1CCOC1 8581938 COAQRADEUYYCDG-VIFPVBQESA-N 331.763 2.396 0 1 EEAF COC(=O)CN1CCN(C(=O)c2ccc(F)cc2)c2ccccc2C1 59852237 AKAHDSWAKABNAX-UHFFFAOYSA-N 342.370 2.461 0 3 EEAF CC1(C)[C@@H](n2cnc3ccccc3c2=O)C=C[C@@H]2[C@@H](O)CCCN21 26574211 OZBWFXXASLWIRC-IKGGRYGDSA-N 325.412 2.111 0 1 EEAF CCN1CCN(C(=O)CCC2CCN([C@@H](C)CSC)CC2)CC1 23339787 LYFKSNLUIPHSBK-INIZCTEOSA-N 341.565 2.394 0 1 EEAF COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](NCC3)[C@@H]2O 2356866936 VPMBQPYJUGPLSW-DLBZAZTESA-N 343.379 2.319 0 1 EEAF COC[C@@H]1CN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)CCO1 210756110 PPIDYHAZFFBKOT-HNNXBMFYSA-N 349.394 2.348 0 1 EEAF CNCCOc1nc2nc(C)cc(Nc3ccc(Cl)cc3)n2n1 73310683 AOCVFQKZQCSCBM-UHFFFAOYSA-N 332.795 2.428 0 1 EEAF CCc1nc(C(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)cs1 82069385 INEAQRDIAWEVDB-GFCCVEGCSA-N 347.440 2.467 0 1 EEAF Nc1ccnc(N2CCC(N(C(=O)C3CC3)c3ccccn3)CC2)c1 40956477 ADEMYEDPMWTMAN-UHFFFAOYSA-N 337.427 2.471 0 1 EEAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CC[C@H](N)C4)ncn3)c2c1 221292972 WIOYUDXSMHENKE-LBPRGKRZSA-N 338.415 2.345 0 1 EEAF C/C=C1\CN2CC[C@]34C(=O)c5ccccc5N3[C@@H](C(=O)OC)[C@@H]1C[C@@H]24 85506202 PPYARVBMTFPVQA-UCMPRTJASA-N 338.407 2.024 0 1 EEAF biogenic,in-vitro CC[C@H](CO)Nc1nc(NCCc2ccccc2)c2ncn(C)c2n1 95561732 FBSFQUUYFDTSST-CQSZACIVSA-N 340.431 2.201 0 1 EEAF CN[C@@H](c1cccnc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587222908 LHYMHNSVUVLEDL-KRWDZBQOSA-N 325.416 2.207 0 1 EEAF NS(=O)(=O)c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 587781415 UVYGGUSZXDLJIC-DAXSKMNVSA-N 343.408 2.440 0 1 EEAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(O)nc(O)nc2[nH]1 587234884 AOUUODWRUSLBLG-RKDXNWHRSA-N 349.391 2.315 0 1 EEAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3cn[nH]c3cc2[nH]1 586963260 ZAMJZWDVTKUICJ-ZCFIWIBFSA-N 327.373 2.370 0 1 EEAF Cc1cccc(OCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1C 587564492 UEVOMPGVCMDFFQ-UHFFFAOYSA-N 331.397 2.406 0 1 EEAF Cc1ncc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cn1 962969309 QDUUBTJGOIGROI-FZMZJTMJSA-N 339.729 2.405 0 1 EEAF COCCOc1n[nH]c2cc(NC(=O)NCc3ccccc3)ncc12 1772640027 LLSNXZBPBQHSIG-UHFFFAOYSA-N 341.371 2.305 0 1 EEAF COCCn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2 1772642523 BPKDBMDIWIBGMA-UHFFFAOYSA-N 328.416 2.486 0 1 EEAF CC[C@H]1CCCCN1C(=O)COc1cccc2c1CCN(C)C2=O 2716243 PUFBSOQRCLXXPE-AWEZNQCLSA-N 330.428 2.485 0 3 EEAF CC1(C)CCC[C@]2(C)[C@@H]1C(=O)[C@H](O)[C@@]13C[C@@H](CC[C@H]21)[C@](O)(CO)C3 2356406713 DXKOYDRYFOHLGA-SZBDGJFISA-N 336.472 2.292 0 1 EEAF CC(C)CC(=O)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 28878969 FQJSOYZBRNQHNL-UHFFFAOYSA-N 344.459 2.129 0 1 EEAF Cn1ccnc1CN1C[C@@H](F)[C@H](OCc2nc3ccccc3o2)C1 2356299348 HAZDRBQLVUNTKV-IUODEOHRSA-N 330.363 2.300 0 1 EEAF C[C@H]1CCCN1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccs1 103296755 HUETVWLJQLODGB-QWRGUYRKSA-N 340.449 2.417 0 1 EEAF CCOC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3C)CC1=O 28094258 XUOQREZRAUHJRW-WVSUBDOOSA-N 343.423 2.049 0 1 EEAF CCCCCN1CCN(C(=O)c2cc(=O)c3c(O)cccc3o2)CC1 28639265 MGROWKORDFWKKN-UHFFFAOYSA-N 344.411 2.447 0 1 EEAF COc1cc2c(cc1O)C[C@@H]1c3c(cc4c(c3-2)OCO4)[C@H](O)CN1C 2356331385 XJZFSXZXIKJSHY-TZMCWYRMSA-N 341.363 2.373 0 1 EEAF COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2OC)cc1OC 2356545989 VTFBVXOENQUZIV-MSOLQXFVSA-N 346.335 2.446 0 1 EEAF Cc1cc(CO)nc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)c1 29396020 UBWBGUUVNANHJC-UHFFFAOYSA-N 336.480 2.489 0 1 EEAF CO[C@@H]1C=C[C@](C)(O)CCC(=O)O[C@H](C)[C@@H](C)[C@@H](O)CC=C1C 2356671688 HYUFUJWFFITERP-QFXBJFAPSA-N 326.433 2.368 0 1 EEAF COc1cccc(CCN2CC[C@@H]3CNCC[C@H]3CC2=O)c1OC 2356844624 NXHNUUINGWBOEO-JKSUJKDBSA-N 332.444 2.094 0 1 EEAF C/C(=C\C=C\[C@H](C)/C=C/CC(C)C)[C@H]1[C@@H](O)C=C(CO)[C@@H](O)[C@@H]1O 142955326 RLFDVGHDISQUKQ-WLNHRCIGSA-N 336.472 2.359 0 1 EEAF Cc1cncn1CCCNC(=S)Nc1ccc2ncn(C)c2c1 96271487 KHJNVGSPCCMOEH-UHFFFAOYSA-N 328.445 2.455 0 1 EEAF CS(=O)(=O)/C=C/c1nc2c(Cl)c(Br)cnc2[nH]1 586923759 USQICDPVPWRCQL-NSCUHMNNSA-N 336.598 2.389 0 1 EEAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(N)ncc2[nH]1 587067250 PUNDSXHJHSTDHT-UHFFFAOYSA-N 332.747 2.594 0 1 EEAF COC(=O)c1cc2[nH]c(-c3c(N)cccc3C(=O)O)nc2cc1OC 587248801 WNKWWCYNZZIIRA-UHFFFAOYSA-N 341.323 2.306 0 1 EEAF COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)sn1 963233019 SVHFCPKDORYTPN-CZUORRHYSA-N 341.392 2.388 0 1 EEAF Cc1cc2c(cc1C)[C@]1(NCCc3ccc(C(=O)N(C)C)cc31)C(=O)N2 962922778 HNRUMOUDVCIMST-NRFANRHFSA-N 349.434 2.347 0 1 EEAF CC1(CNC(=O)[C@@H]2CCC(=O)N(CCCc3ccccc3)C2)COC1 12744553 UIVMGSNAJFOYDJ-QGZVFWFLSA-N 344.455 2.011 0 1 EEAF O=C(Nc1cccc(O)c1)c1cncc2nnc(-c3ccc(O)cc3)n12 1857656648 SRTBSFIKJFSESY-UHFFFAOYSA-N 347.334 2.455 0 1 EEAF O=C(Cn1nc(C(=O)O)c2ccccc2c1=O)c1ccc(F)cc1 3618705 PHTICSATNQRCFZ-UHFFFAOYSA-N 326.283 2.117 0 1 EEAF COc1ccc(C2=NN(CCC(=O)NC(C)(C)C)C(=O)CC2)cc1 4668429 BLKWQARVOQUISG-UHFFFAOYSA-N 331.416 2.327 0 1 EEAF O=C(O)C[C@@H]1CCN(C2CCC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356777893 GQZXXLYEZXWBTF-QWHCGFSZSA-N 328.416 2.466 0 1 EEAF CCNC(=O)[C@@]1(C)CCCN(C(=O)c2c(OC)cccc2OC)C1 74388222 HNBXRVRCSLNGBJ-SFHVURJKSA-N 334.416 2.082 0 3 EEAF COc1c(O)ccc2c1O[C@H]1c3cc(O)cc(O)c3CO[C@@H]1C2=O 15265605 AKYWPKJOMUJLSP-DOTOQJQBSA-N 330.292 2.027 0 1 EEAF biogenic CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)[C@H]1COCCN1 1911576128 OSILKVOBAVIGST-MRXNPFEDSA-N 349.427 2.370 0 1 EEAF CCOC(=O)c1nn(CC)c(=O)c2nn(-c3ccccc3)c(C)c12 49088208 DICYBSMLFAFOAP-UHFFFAOYSA-N 326.356 2.087 0 1 EEAF CNC(=O)[C@H](Oc1ccc(Br)cc1)c1csnn1 40577196 FFIKYNOASMRBLW-SNVBAGLBSA-N 328.191 2.167 0 1 EEAF COc1cc(C[C@H](CO)c2cc(OC)c(O)c(OC)c2)ccc1O 238735676 JNZVCQHZEMTVPB-CYBMUJFWSA-N 334.368 2.442 0 1 EEAF CCc1c(-c2ccc(N3CC=CC3)cc2)[nH]c(=O)c(C(=O)O)c1O 142877442 XLPFEKSOCDBXBN-UHFFFAOYSA-N 326.352 2.384 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C[C@@]4(O[C@H]4C)[C@H]1C[C@@H]23 238741198 JUZLBWLURBHBPB-NXALDIOHSA-N 338.407 2.042 0 1 EEAF O=C(C1CC(F)(F)C1)N1C[C@H]2OCCN(CC3CCCC3)C[C@@H]2C1 299843523 SWMUCYOIFVZRKI-HZPDHXFCSA-N 342.430 2.381 0 1 EEAF Cn1cc(-c2ncc(-c3nc4c(S)nc(S)nc4[nH]3)s2)cn1 587020760 ASBKIKSNHDEWCB-UHFFFAOYSA-N 347.454 2.454 0 1 EEAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(C(=O)O)CC2=O 587491976 XXQXYMVKLIDICR-KRWDZBQOSA-N 336.340 2.388 0 1 EEAF CN[C@@H](c1cccnc1)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587224968 UEERWWLHCCAFJI-ZDUSSCGKSA-N 326.356 2.062 0 1 EEAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3ncncc3[nH]2)cc1 586939925 UNFWUVOIPMBRER-JTQLQIEISA-N 331.401 2.097 0 1 EEAF C[C@@H](O)c1ncc(-c2nc3nc(Br)c[nH]c-3n2)s1 587022839 ZUPHHNAGABWGES-SCSAIBSYSA-N 326.179 2.244 0 1 EEAF COc1cc2c3c(c1)O[C@]1(CCC[C@H](S(C)(=O)=O)C1)[C@@H](C2)C3=O 587450774 UUGOTPFRPQUUEB-DCGLDWPTSA-N 336.409 2.169 0 1 EEAF Cc1c2c(nn1C)[C@](C)(c1cc(F)cc(F)c1F)N[C@H](C(=O)O)C2 962714034 PUIFWHYQYSYPHH-LRDDRELGSA-N 339.317 2.008 0 1 EEAF Cc1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)no1 1772635643 LGHSMUZQKFVTNK-UHFFFAOYSA-N 335.371 2.365 0 1 EEAF Cc1c(F)c(N2CC[C@@H](N)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 13649761 SYRRVFYIEZPLKW-SNVBAGLBSA-N 345.374 2.020 0 1 EEAF Cc1c(CO)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O 14965049 QQJCQNCWGQUXSD-UHFFFAOYSA-N 339.344 2.125 0 1 EEAF Cc1noc(C)c1Cn1cc(NS(=O)(=O)c2ccccc2)cn1 1857561432 CDHRNFUWMMTYRZ-UHFFFAOYSA-N 332.385 2.337 0 1 EEAF COc1ccccc1S(=O)(=O)NC[C@H](O)/C=C/c1ccccc1 1857750503 BIGYZQXRRAUNLA-AYJWMTRPSA-N 333.409 2.048 0 1 EEAF O=C1c2cc(OC(F)(F)F)ccc2-n2c1nc1cnccc1c2=O 3597588 JYNNLVDZNUFQKK-UHFFFAOYSA-N 333.225 2.224 0 1 EEAF COc1ncc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cn1 28385419 RJVKYPKTQHDJII-UHFFFAOYSA-N 349.329 2.329 0 1 EEAF CCCC[C@H](NC(=O)[C@H](N)C(C)C)C(=O)NCCCc1ccccc1 27741249 OGROYLSSMWEENY-ZWKOTPCHSA-N 347.503 2.394 0 1 EEAF C#CCNc1nc(-n2ncc3ccccc32)nc(N)c1Br 217065373 HOEWDHDEZCYQPM-UHFFFAOYSA-N 343.188 2.205 0 1 EEAF COC(=O)[C@H](Cc1[nH]c(Cl)nc1Cl)NC(=O)OC(C)(C)C 221986355 YTEHXEKAQNOWBZ-ZETCQYMHSA-N 338.191 2.325 0 1 EEAF C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@H]2CCC(=O)N2C2CCCC2)C1 253977574 ODBQOHMVJQEFQL-JFIYKMOQSA-N 349.519 2.404 0 3 EEAF CC(=O)N1CCC(C)(c2cc(C(=O)NCC(C)(C)C)nc(C)n2)CC1 299850959 QGDSUORYSZQZEM-UHFFFAOYSA-N 346.475 2.461 0 1 EEAF Cc1nccc2[nH]c(-c3nccnc3I)nc12 587186623 LODZRSSPFCXHPB-UHFFFAOYSA-N 337.124 2.328 0 1 EEAF N=c1[nH]c2nc(-c3cc(F)nc(N4CCCC4)c3)nc-2c(Cl)[nH]1 587177513 KVTVOUUEPIQZGI-UHFFFAOYSA-N 333.758 2.172 0 1 EEAF CC1=CS[C@@](O)(c2ccc(Br)cc2)c2noc(=O)n21 13475252 BQAKEYSLSCKIOQ-LBPRGKRZSA-N 341.186 2.357 0 1 EEAF COc1c(C/C=C(\C)CCC(=O)O)c(O)c2c(c1OC)COC2=O 13759737 HNBJOHGXKVXHCS-RUDMXATFSA-N 336.340 2.433 0 1 EEAF CCc1cc(O)n2nc(NCc3cc(OC)ccc3OC)nc2n1 15668956 BLKOEDCPNJOUQF-UHFFFAOYSA-N 329.360 2.022 0 1 EEAF COc1ccccc1OCCNC[C@@H](O)COc1ccccc1OC 169331930 NQDOGABFOYXISO-OAHLLOKOSA-N 347.411 2.112 0 1 EEAF Cc1ccccc1C(=O)c1sc2[nH]c(=O)c(C(=O)O)cc2c1N 28902824 PJDULNSHSZMERY-UHFFFAOYSA-N 328.349 2.409 0 1 EEAF CCn1c(=O)n(C(=O)NC2C[C@H]3CC[C@H](C2)N3C)c2ccccc21 100095930 MZRKHUUDDHJVHS-ZIAGYGMSSA-N 328.416 2.006 0 1 EEAF CN(Cc1ccccc1)C(=O)c1ncn2c1c(O)nc1cccnc12 61922165 MOGFMEPJCQUNAY-UHFFFAOYSA-N 333.351 2.255 0 3 EEAF NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccccn1 28825930 WLXWOOAOVAPKFO-LJQANCHMSA-N 340.471 2.109 0 1 EEAF COc1ccc2c(c1)[n+](=O)nc(NCO[C@@H](C)c1ccccc1)n2O 66122760 SUDIFCKFGNNXDK-LBPRGKRZSA-N 343.363 2.344 0 1 EEAF CN(CC1(CO)CCCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 20514152 POFZAGZWRCETBF-MOPGFXCFSA-N 344.499 2.208 0 1 EEAF COc1cc2c(cc1O)C(=O)C[C@H](C(=O)NCc1ccccc1)O2 28476123 IXZAETXGXYQBEP-QGZVFWFLSA-N 327.336 2.051 0 1 EEAF O=C([C@@H](c1ccccc1)n1cnnn1)N1CCCC[C@H]1c1cccnc1 504253240 HLCKOEPGFMPJLQ-ZWKOTPCHSA-N 348.410 2.411 0 1 EEAF biogenic CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(O)ncnc2[nH]1 586971983 CRASACRFSWIHGH-GFCCVEGCSA-N 343.412 2.169 0 1 EEAF COc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cn1 587035395 SYQUFCXTIQRGPN-UHFFFAOYSA-N 328.397 2.447 0 1 EEAF CCOC(=O)[C@@H]1COC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587536009 QGDZDKQMEGAWFJ-KXBFYZLASA-N 330.380 2.479 0 1 EEAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(O)ncnc4[nH]3)cc2N1 587125769 UPNUEZGDPNJIKT-CAHLUQPWSA-N 339.281 2.230 0 1 EEAF CN(Cc1nc2ccc(CO)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587171366 XECQOEOBHZEALJ-UHFFFAOYSA-N 349.387 2.015 0 1 EEAF CCOc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cn1 962911031 OAAVCPDSCSMRFV-KBXCAEBGSA-N 330.359 2.482 0 1 EEAF COc1c(OC[C@@H](O)C(C)(C)O)c2occc2c2oc(=O)ccc12 13323045 SYCQEMIWUFVJHN-LLVKDONJSA-N 334.324 2.058 0 1 EEAF biogenic CCOC(=O)[C@]1(CCC2OCCO2)CC[C@@]2(c3ccccc3)O[N@]21 1857567348 AFWVTQZWHYYGPD-FHWLQOOXSA-N 333.384 2.335 0 1 EEAF O=c1c2ccccc2nnn1Cc1ccc[n+](Cc2ccc(F)cc2)c1 1857598145 KMFXRZYQEYDNCR-UHFFFAOYSA-N 347.373 2.315 0 1 EEAF CCOc1ccc(-c2nnc3ccc(SCC(=O)O)nn23)cc1 4165125 IFGXVSBQTWUVEH-UHFFFAOYSA-N 330.369 2.367 0 1 EEAF C[C@H]1CCCC[C@H]1NC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O 6732952 ODDIECAGMQFRTG-NWDGAFQWSA-N 349.456 2.226 0 1 EEAF COc1ccc(C(=O)O[C@@H]2C[C@H]3C[C@@H](OC(C)=O)[C@@H](C2)N3C)cc1 28525238 XAFSVSVXERZSBU-RKTXRCNFSA-N 333.384 2.019 0 1 EEAF COC(=O)[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)n1ccnc1 28756532 DEOABVYNBBHLPY-LBPRGKRZSA-N 341.289 2.244 0 1 EEAF C[C@]1(CO)C[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 2356782056 COMXNNJQOALRDW-QOFRVKGVSA-N 338.488 2.086 0 1 EEAF CCOC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3snnc3c2)C1 61906779 SMSUTCMACCEGBP-INIZCTEOSA-N 333.413 2.497 0 3 EEAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCOCC3)[C@@H]2CC1 299810912 VHSZRNXTICCEKT-BRFLTPSNSA-N 335.444 2.154 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N)nc2)N1 587742803 BAEMYDSSZKKWCM-CPFSXVBKSA-N 337.196 2.584 0 1 EEAF Cc1c(Br)ccc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 587970490 IMSJRVLIFRRTRC-AYMMMOKOSA-N 339.145 2.133 0 1 EEAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(CO)cc2[nH]1)C(C)C 586932615 HYIUJKLYYHVNQH-OAHLLOKOSA-N 339.461 2.472 0 1 EEAF CNCCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772570660 AQFDMMMSYMKIRS-UHFFFAOYSA-N 327.336 2.469 0 1 EEAF C[C@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]3O 169667442 DGJOOPBLQWTUNK-NCASBAQNSA-N 336.472 2.147 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC(=O)[C@@H]1[C@@H]3C[C@@H](C[C@H]12)OC3=O 100778547 FJCWYLRNGKSUCH-CAPKKKNXSA-N 344.363 2.431 0 1 EEAF endogenous,in-man Cc1ncc(C)n2nc(CCc3nc(-c4cccnc4)cn3C)nc12 117873953 ZUESWIQVJZLTPS-UHFFFAOYSA-N 333.399 2.322 0 1 EEAF Nc1nc(O)c(N=O)c(NCCCCNc2ccc(C(=O)O)cc2)n1 27743268 PUFJNKGTWMUHMS-UHFFFAOYSA-N 346.347 2.165 0 1 EEAF CC(C)N1CCN(C(=O)N2CCC(C(=O)OC(C)(C)C)CC2)CC1 36188085 GDAGKQMCMNZJDE-UHFFFAOYSA-N 339.480 2.186 0 1 EEAF C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccon1)c1ccccc1 36387775 IVAFWYSYNSSCQT-JTQLQIEISA-N 325.328 2.141 0 3 EEAF CCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3)cc21 84758168 PHEUXEAEJWQWRR-UHFFFAOYSA-N 348.374 2.476 0 1 EEAF COc1cc2cnc([C@@](O)(c3c[nH]nn3)C(C)C)cc2cc1OC 139866146 FNQBQSDVRFAVIN-QGZVFWFLSA-N 328.372 2.262 0 1 EEAF CC(C)n1cnc2c(Nc3cncnc3)nc(Nc3cncnc3)nc21 95593853 BUKNIOLWHFXEIG-UHFFFAOYSA-N 348.374 2.474 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(O)nn1 587872541 ZWXGGHLFIZZLEF-UHFFFAOYSA-N 328.303 2.272 0 1 EEAF Cc1cccc(NC(=O)Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1C 587238652 FEDCXCWZVGYSQJ-UHFFFAOYSA-N 330.779 2.169 0 1 EEAF CN1C(=O)C[C@@H]2CN[C@]3(CCCc4nc(N)ccc43)c3cccc1c32 963023917 JAWUTBWVKRKMJJ-ODXCJYRJSA-N 334.423 2.297 0 1 EEAF c1csc([C@@H]2CCCN2c2nc3nonc3nc2NC2CC2)n1 13595749 TWGHUOILAHWMIC-VIFPVBQESA-N 329.389 2.385 0 3 EEAF COc1ccc(CN2CCC(=O)c3ccccc3S2(=O)=O)cc1 13829908 YITUIMJNLCBRNS-UHFFFAOYSA-N 331.393 2.473 0 1 EEAF Cc1cc(C)cc(NC(=O)CSCc2cc(O)n3ncnc3n2)c1 15785772 VNNYGKCGOHZXSR-UHFFFAOYSA-N 343.412 2.319 0 1 EEAF C=[S@](=O)(NC)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 169725018 MBTYZIYXBKABHQ-HSZRJFAPSA-N 327.405 2.364 0 1 EEAF Nc1ncnn2c([C@@H](O)C3CC3)cc(-c3cc(F)c(CO)c(F)c3)c12 205817581 MLTQWZGIFBGXTG-INIZCTEOSA-N 346.337 2.192 0 1 EEAF CC1CCN(C(=O)C2CCN(c3cc(N(C)C)ncn3)CC2)CC1 1857544040 IKJLXPNJJDAMJD-UHFFFAOYSA-N 331.464 2.018 0 1 EEAF CC(=O)N1CCC2(CC(Oc3cc(CN)cc(C(F)(F)F)n3)C2)C1 1857607171 ZXERRERAZGCVDW-UHFFFAOYSA-N 343.349 2.339 0 1 EEAF CNC(=N)NC[C@]1(C)[C@H]2CC[C@@H](C)[C@@]13C[C@H](COC)C(C(=O)O)=C3C2 2356357560 TXOWICKHJZONHF-JJJWGTGCSA-N 349.475 2.220 0 1 EEAF CCCSCCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2 4110539 DMPJNIVVRVDMNQ-UHFFFAOYSA-N 333.500 2.440 0 3 EEAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4F)C[C@@H]3C2)n1 116822570 NQJPGCOBCMCROW-HUUCEWRRSA-N 340.402 2.441 0 1 EEAF COCCNc1nc(NCc2cnc(C)cn2)c2sccc2n1 61927140 SRLVFZVOJORASU-UHFFFAOYSA-N 330.417 2.460 0 3 EEAF O=C1N[C@@H]2ON=C(c3ccccc3)[C@H]2[C@@H]2ON=C(c3ccccc3)N12 31898337 IHTIDIABGVBCOA-XYPHTWIQSA-N 334.335 2.107 0 1 EEAF C/C=C/C[C@@H]1Cc2nc3nc(O)nc(O)c3cc2[C@H]1CC(=O)OC 587559918 PDJDXELSEFHNNJ-OKWQPMOJSA-N 329.356 2.221 0 1 EEAF CCOC(=O)C(F)(F)[C@H]1CCCc2nc3nc(O)nc(O)c3cc21 587369262 XNQHVLFPMDWONA-VIFPVBQESA-N 339.298 2.054 0 1 EEAF NS(=O)(=O)c1cccc2nc(CNc3ccccc3Cl)[nH]c12 587061797 KLUVOYZAOPINQM-UHFFFAOYSA-N 336.804 2.476 0 1 EEAF Cc1c(O)ccc2c1[C@@]1(C[C@@H](C)N[C@@H]3CCCC[C@H]31)N[C@H](C(=O)O)C2 963513221 ZOZVMZCJGXTEGG-YIOQVPFOSA-N 344.455 2.435 0 1 EEAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CN3CCC[C@H]2C3)N1 962955872 AECHNRALZSQWBF-WLTZMBQTSA-N 342.773 2.138 0 1 EEAF CCn1ncc(C2=NO[C@H](C(=O)NCc3ccc(OC)cc3)C2)c1C 4076443 ZAMWURXOYZPGKB-KRWDZBQOSA-N 342.399 2.029 0 3 EEAF O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1NC(=O)[C@@H]1CCCO1 38278732 ODRLHWKSMWLWIE-FUHWJXTLSA-N 349.390 2.097 0 1 EEAF Cc1ccc(-c2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 45389779 DQRWJVGODRLRQH-HNNXBMFYSA-N 348.358 2.063 0 1 EEAF Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccccc2)C3=O)n1 653757908 YDDWYMXDOQXIAK-UHFFFAOYSA-N 349.350 2.127 0 1 EEAF Cc1c(Br)cnc2[nH]c(C3=C(N)C(C)(C)OC3=O)nc12 587255346 LPPGVNJDMJMCIB-UHFFFAOYSA-N 337.177 2.034 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC)ncc2[nH]1 587232515 YGQRETGUHCUZHV-NEPJUHHUSA-N 332.404 2.003 0 1 EEAF N[C@@](CCc1ccccc1C(F)(F)F)(C(=O)O)[C@H]1C[C@@H]1C(=O)O 13777390 FHTKMAZEXOYCJZ-NURSFMCSSA-N 331.290 2.141 0 1 EEAF O=C(Cc1ccccc1)N1CCN[C@@H]2CCC[C@H](N3CCCC3)[C@H]21 169326298 BEEJIBZAJIEISV-HBFSDRIKSA-N 327.472 2.046 0 1 EEAF CCCCCn1nnnc1[C@@](C)(CC(=O)OC)NCc1ccco1 205858051 PODFONQPOOCKMP-MRXNPFEDSA-N 335.408 2.024 0 3 EEAF COc1ccc(CCNC[C@H](O)COc2ccccc2)cc1OC 2360834 SUYWLUKAHMBOQE-INIZCTEOSA-N 331.412 2.276 0 1 EEAF C[C@]12COC3=C1[C@](C)(CC[C@@H]2O)[C@@]12CC[C@@](O)(C(=O)O)[C@@H](C[C@H]1C3)C2 2356324967 MFUFYVRSGKJJNS-LMZUCZFZSA-N 348.439 2.464 0 1 EEAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)N(N)C(=O)C[C@H]12 6482734 KAGWXCAUSLFFEO-NNFUDEMPSA-N 328.412 2.390 0 1 EEAF Cc1ccc(C)c(Cn2nnc(C(=O)NCc3ccccc3)c2N)c1 6772544 PSMLPEFMBOPPRR-UHFFFAOYSA-N 335.411 2.455 0 1 EEAF Cn1c(SCC(=O)N2CCCC2)nc2c3ccccc3nc-2c1O 100705078 JCCYOMPFZMAXDW-UHFFFAOYSA-N 342.424 2.493 0 1 EEAF COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)/C=C\C(C)(C)COC2=O 101988550 BMKXKEIIOWVNSK-BMQAHXKMSA-N 348.395 2.279 0 1 EEAF O=S(=O)(NCCCCc1c[nH]cn1)NCc1cccc(Cl)c1 26843578 SWHJJEWFVLAYDT-UHFFFAOYSA-N 342.852 2.010 0 1 EEAF O=C1CSc2nnc(COc3ccc(Cl)cc3Cl)n2N1 35936772 MZNJKCQDAJTDAB-UHFFFAOYSA-N 331.184 2.340 0 1 EEAF CN1[C@H](CO)C[C@H](CNCc2ccc(CO)o2)[C@@H]1c1ccccc1F 39372146 PRIJUVPQAMZNNT-BIENJYKASA-N 348.418 2.055 0 1 EEAF COc1cccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@@H](C)CN3)c1 82224519 TUKCIMPEADJNDL-LBPRGKRZSA-N 344.415 2.198 0 1 EEAF C[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)o1)C(=O)O 144312657 DUCJOCFUUOTITC-MRVPVSSYSA-N 334.303 2.185 0 1 EEAF C/C=C1\CN2CC[C@]34c5cc(OC)ccc5N[C@H]3[C@H](CO)[C@H]1C[C@H]24 238734800 WASNVZYFPCLQAH-XGCRUORFSA-N 326.440 2.390 0 1 EEAF Oc1nc(=Cc2c[nH]c3ccccc23)c(O)nc1=Cc1cccs1 253637397 HSKZDOVXPGGDFD-UHFFFAOYSA-N 335.388 2.088 0 1 EEAF COC(=O)C(=O)C[C@@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587399767 MAAVEAWMMVENON-GOSISDBHSA-N 333.384 2.460 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN(C)CCO)N1 587738945 DOFBDHSYTCKXRF-BONVTDFDSA-N 345.256 2.262 0 1 EEAF Nc1ccc(-c2ccc3nc([C@@H]4CSCC(=O)N4)[nH]c3c2)cc1N 587044606 ZYQXJGQKNGLABQ-HNNXBMFYSA-N 339.424 2.298 0 1 EEAF COC(=O)[C@@H]1CNCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525519 NRPJYCZEPGXDKQ-KXBFYZLASA-N 329.396 2.052 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNC(=O)C2)N1 587797452 SOYCPROSZHRQRW-XLKFXECMSA-N 327.197 2.228 0 1 EEAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587234855 JJRHCNPXHSBMCH-RFZPGFLSSA-N 330.132 2.453 0 1 EEAF NC(=O)Cn1cc([C@@H]2NCCc3nc4ccccn4c32)c2ccccc21 962983237 BKQLTBOSNWYUAA-IBGZPJMESA-N 345.406 2.009 0 1 EEAF Fc1cccc2c1[C@@](CN1CCNCC1)(C1CC1)N1CCC[C@@H]1C2 963104827 ILXYDCGUOCUCPB-YLJYHZDGSA-N 329.463 2.357 0 1 EEAF C[C@@H](CCCCNC(=O)c1cc2cc(C(=N)N)ccc2[nH]1)CC(=O)O 13764941 PEKKKMNTIAKZJT-NSHDSACASA-N 344.415 2.463 0 1 EEAF CCOc1ccc([C@H]2/C(=C(\O)OC)C(C)=Nc3nnnn32)cc1OC 104026437 KEEMSLUGDIGHKZ-MRPLLJTBSA-N 345.359 2.192 0 1 EEAF COc1ccccc1CCc1n[nH]c(=O)n1-c1ccccc1OC 103175009 BSRXGJACQDFUFV-UHFFFAOYSA-N 325.368 2.363 0 1 EEAF O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)[C@@H]1CCCCC1=O 103215804 CUADIWHLTSIECY-GFCCVEGCSA-N 330.793 2.303 0 1 EEAF CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(OC(C)(F)F)cc1 59259563 QYLYMDBGZXWVFU-GXFFZTMASA-N 337.388 2.363 0 1 EEAF C[S@@](=O)c1ccc(C(=O)c2ccc3n2CCC[C@H]3C(=O)O)cc1 25991896 RELMGKYHTMTUJD-ZLOXQWCVSA-N 331.393 2.419 0 1 EEAF COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1NC(N)=O 116343306 LAJYCADRXKLNFL-UHFFFAOYSA-N 332.364 2.056 0 1 EEAF CC1(C)O[C@@H]2O[C@@H](C(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 31872479 INTCVMYMFRDPEA-QXKUPLGCSA-N 334.368 2.266 0 1 EEAF COC[C@H]1CCN(c2nc3nonc3nc2NCc2cccs2)C1 39445567 PQVXSIDEHGAFQW-JTQLQIEISA-N 346.416 2.159 0 1 EEAF Cc1ccccc1Oc1ccc(NC(=O)CC[C@H](N)C(N)=O)cc1 40402458 UHWCMHMPSGPFGU-HNNXBMFYSA-N 327.384 2.319 0 1 EEAF in-vivo CCCN1C(=O)N2CCN=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 40575727 RFTKOURQQCDPOQ-UHFFFAOYSA-N 343.431 2.159 0 1 EEAF Cc1cccnc1CNC(=O)c1cc(-c2cccc(F)c2)nc(N)n1 45347312 ZHVWEQPYUMWWRM-UHFFFAOYSA-N 337.358 2.498 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(C(O)O)O2 587376024 BQBLNBDRUPNUQF-KRWDZBQOSA-N 333.771 2.402 0 1 EEAF Cn1nnc(-c2nc3ccnc(Br)c3[nH]2)c1C(F)F 587129507 XDXSEKWHKCJUKE-UHFFFAOYSA-N 329.108 2.454 0 1 EEAF Clc1c(Br)cnc2[nH]c(C[C@H]3COCCO3)nc12 586911437 YHSKKYXHNWETHK-LURJTMIESA-N 332.585 2.332 0 1 EEAF COC[C@@]1(CC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587789215 BLZAIIUCZCLPKE-XLKFXECMSA-N 346.196 2.439 0 1 EEAF C[C@@H](Nc1nn(C)c(=O)c2cccnc12)[C@@H](c1ccccc1)N(C)C 1772614776 OFKKYVMUDLMESU-DYVFJYSZSA-N 337.427 2.432 0 1 EEAF O=C1Nc2c(CC3=CCNC3)ccnc2N(C2CC2)c2ncccc21 5933753 NSLHNWSWQSHNCB-UHFFFAOYSA-N 333.395 2.415 0 1 EEAF O[C@H](CCCN1CCN(c2ncc(F)cn2)CC1)C1CCCCC1 13890115 KYGRDEHOBHQSSU-QGZVFWFLSA-N 336.455 2.459 0 1 EEAF C/C=C/C[C@@H](O)C(=O)[C@@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)O)CO1 169361097 AHOVOJJBJRQBJK-JTNWNKECSA-N 342.432 2.338 0 1 EEAF CC(=O)Oc1ccc(-c2cncc(C(=O)[C@H]3CCN(C)C3=O)c2)cc1 205754230 FBVXZABOAACAJB-QGZVFWFLSA-N 338.363 2.335 0 1 EEAF CC[C@H](C)[C@@H](NC[C@H](O)COc1ccccc1)C(=O)N1CCCC1 205126991 RBOIAMGOOLGCGW-XYJFISCASA-N 334.460 2.053 0 1 EEAF C[C@]1(c2ccncc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O 1857571276 LAZRUDZNHQTMHQ-QGZVFWFLSA-N 345.305 2.010 0 1 EEAF CCn1c(=O)n(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 115098878 MZRKHUUDDHJVHS-BTTYYORXSA-N 328.416 2.006 0 1 EEAF in-vitro CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)/C=C\c3ccccc3)C[C@H]1N2C 28525015 QKTXQEDBXGTOFH-GTUIKHEBSA-N 329.396 2.410 0 1 EEAF CCOC(=O)Nc1cc2[nH]c(=O)c(-c3ccccc3)nc2c(N)n1 26824755 OWPAQVFZKXIYBP-UHFFFAOYSA-N 325.328 2.136 0 1 EEAF CC1=C[C@@H]([C@H](O)C(C)=CCOc2ccc3ccc(=O)oc3c2)OC1=O 2356568321 JYYSLADUUKHTSY-FUHWJXTLSA-N 342.347 2.351 0 1 EEAF COc1ccc2[nH]c(=O)c(-c3nnn(-c4ccc(C)cc4)n3)cc2c1 64728704 NOTPEWVYAIRBTA-UHFFFAOYSA-N 333.351 2.488 0 1 EEAF CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(OC)ccc23)C1 73166141 BFXKTIHIMJWWLN-SECBINFHSA-N 329.429 2.233 0 1 EEAF O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Br)cc1 71340276 DYEOESDSRHAVAX-NOOOWODRSA-N 340.173 2.266 0 1 EEAF CN1O[C@](C)(CC(=O)NCc2nccs2)N=C1c1ccccc1F 74373475 GIGTYRJQUOACQG-MRXNPFEDSA-N 348.403 2.329 0 3 EEAF Cc1ccc(-c2nc(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)co2)cc1 82069074 XIZMHXYYAPFLNN-INIZCTEOSA-N 349.390 2.476 0 1 EEAF CN1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2Cl)CC1=O 95565676 NWFUSRPKBFAGEK-VIFPVBQESA-N 334.725 2.453 0 1 EEAF Cc1ccc(C(=O)N2CCn3c(nnc3-c3cnccn3)C2)c(C)c1 95565567 OBOUOSPFQNETAP-UHFFFAOYSA-N 334.383 2.008 0 1 EEAF C[C@@H]1O[C@H](SCCC23CC4CC(CC(C4)C2)C3)[C@H](O)[C@@H](O)[C@H]1O 253685778 HWVMUFHBNMDWTI-CPTDXDROSA-N 342.501 2.154 0 1 EEAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3CCCC(=O)CC3)[nH]c2c1 586883289 AKQMSPXQAZOFAJ-NSHDSACASA-N 335.429 2.430 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1cnc(SC)nc1N)[C@@H](C2)C3=O 587449006 ACKWTXWOHJKZDT-LKFCYVNXSA-N 329.381 2.278 0 1 EEAF Cc1csc([C@](O)(Cc2nc3c(N)ccnc3[nH]2)C(F)(F)F)n1 587094172 LOTHQRCGWPSUAM-GFCCVEGCSA-N 343.334 2.298 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN(C)C 587867215 AFXCZOHLHCGONS-UHFFFAOYSA-N 328.294 2.174 0 1 EEAF CC(=O)Nc1cccc(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 587242115 HFUCYXVQTDBZGS-UHFFFAOYSA-N 336.351 2.443 0 1 EEAF COc1cc([C@H](OC)[C@@H]2OC[C@H](O)[C@@H]2c2ccc(O)cc2)ccc1O 2356411200 YNZAIYQWLLYYIN-DSLXNQLJSA-N 346.379 2.337 0 1 EEAF Cc1n(CCC(C(N)=O)(c2ccccc2)c2ccccc2)cc[n+]1C 26823551 JQMZITXYDTZWDV-UHFFFAOYSA-O 334.443 2.483 0 1 EEAF Cc1ccccc1CNC(=O)c1cncc(N2CC[C@H]3CNC[C@H]32)c1 73224239 UFYPVNXQXZLGCA-QFBILLFUSA-N 336.439 2.118 0 1 EEAF CC(C)[C@H](NC(=O)C(=O)C(C)(C)C)C(=O)OCCCc1cccnc1 40617347 UOOHVXYZPBQQJS-HNNXBMFYSA-N 348.443 2.313 0 1 EEAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H]([C@H]3CCO3)C[C@H]2CS1 221411805 DZPLYXXEXZWQOK-JBTNIPSDSA-N 340.395 2.416 0 1 EEAF COCCNC(=O)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82141310 QWFLLJNULMNPEM-UHFFFAOYSA-N 344.390 2.481 0 1 EEAF CNC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587743752 PPKOBMMKJRLLDI-CLAHSXSESA-N 329.213 2.474 0 1 EEAF CNC(=O)[C@@H]1C[C@H]1c1nc2cccc(I)c2[nH]1 587236352 VGYSMRDWMUIASC-RNFRBKRXSA-N 341.152 2.017 0 1 EEAF COc1cc2nc(Cl)nc(NS(=O)(=O)C3CC3)c2cc1OC 1772647247 SNDPBCCCFQWKIY-UHFFFAOYSA-N 343.792 2.205 0 1 EEAF COc1ccc(/C=C/c2nc3cccnc3n(CC(=O)O)c2=O)cc1 1772608557 HQDDLIGDRYQAIG-RMKNXTFCSA-N 337.335 2.055 0 1 EEAF CCC[C@H]1CC2=C(OCC=N2)[C@]2(NC(=O)CC(=O)O)C=CCC[C@@H]12 169692894 BSBXGNLUQCQTGK-LXIYXOSZSA-N 332.400 2.415 0 1 EEAF CC1(C)COC(C23C4C5C2C2C3C4C52I)=N1 1626433 XELFLHGSUCKBSJ-UHFFFAOYSA-N 327.165 2.119 0 1 EEAF N=C(N)c1ccc(C(=O)N2CCC3(CCC(C(=O)O)CC3)CC2)cc1 28755883 JTIDVFSMRYUKKU-UHFFFAOYSA-N 343.427 2.468 0 1 EEAF CN1C(=O)[C@H](Cc2c[nH]c3c(Br)cccc23)NC1=S 28526221 GTTGCEYJZBVWQQ-JTQLQIEISA-N 338.230 2.188 0 1 EEAF NCCCNC(=O)c1cccc(Nc2nccc(-c3cccnc3)n2)c1 29554267 VGAJUPSWPIGTMF-UHFFFAOYSA-N 348.410 2.361 0 1 EEAF C[C@H](C(=O)O)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 2356552608 WYMRLQWRNAUXEL-MFNGEMCRSA-N 347.411 2.326 0 1 EEAF CCOC(=O)CCCCOc1nsnc1C1=CCCN(C)C1 29132723 YLZCXSYWCUFWTG-UHFFFAOYSA-N 325.434 2.369 0 1 EEAF COC(=O)N1C(=O)[C@H](C)[C@H]2[C@@H](C(=O)OCc3ccccc3)CC[C@@H]21 27443382 AWRQMJHTZRUHSZ-UNQGMJICSA-N 331.368 2.369 0 1 EEAF C[C@@H](O)CCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21 38142854 KAXXDTVCCUQTMA-CYBMUJFWSA-N 336.395 2.499 0 1 EEAF COc1ccc2c(c1)[n+]([O-])c(C(F)F)c(C(=O)c1ccccc1)[n+]2[O-] 71319405 YWZUISLPMKRAIN-UHFFFAOYSA-N 346.289 2.284 0 1 EEAF CC(C)=CCc1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@@H](C)NC1=O 84668395 GJKHCIKADBBUPX-SJKOYZFVSA-N 325.412 2.222 0 1 EEAF CN[C@H](C(=O)N[C@H](COC(C)=O)Cc1c[nH]c2ccccc12)C(C)C 34733796 ORZNHOJERHAKCE-YJBOKZPZSA-N 345.443 2.002 0 1 EEAF biogenic CCCC(=O)N1CCC[C@H](n2cc(-c3cc(C(=O)O)ccn3)nn2)C1 473133934 AAMPETJUYUYVFI-ZDUSSCGKSA-N 343.387 2.002 0 1 EEAF CN(Cc1nc2ccc(O)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169670 HBLAVGOHVFLLLS-UHFFFAOYSA-N 335.360 2.228 0 1 EEAF COC[C@@H]1NC(=O)[C@H](C(=O)Nc2ccc(C3CCCCC3)cc2)C1=O 169727316 DHOFOEWETVBVCF-HOTGVXAUSA-N 344.411 2.003 0 1 EEAF O=C(NC[C@@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1C1CCCC1 427239 FCAATOHEORQJKU-YOEHRIQHSA-N 328.412 2.421 0 1 EEAF CS[C@H]1NC(=O)/C(=C/c2ccc(OCC=C(C)C)cc2)NC1=O 3959879 DFTITSOGUUDLJM-OOXMNIKJSA-N 332.425 2.308 0 1 EEAF CCCCOC(=O)CC[C@@]1(C(=O)O)OC(=O)C(O)=C1c1ccccc1 2356324878 UYFHDPQUHCRWMW-GOSISDBHSA-N 348.351 2.459 0 1 EEAF CN1CCN(C(=O)CCC(=O)c2cccc(C(F)(F)F)c2)CC1 26847773 NZEYNYYSYYTRAD-UHFFFAOYSA-N 328.334 2.442 0 1 EEAF Cc1nc2ncc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2[nH]1 115626573 RABVTLANLDVPJX-UHFFFAOYSA-N 347.382 2.150 0 1 EEAF COCCNC(=O)c1[nH]c(C)c(C(=O)O[C@@H]2C[C@H]3CC[C@@H]2C3)c1C 28817266 FWRUVQJJRZNKPE-BFHYXJOUSA-N 334.416 2.353 0 1 EEAF COc1cc(C(=O)Nc2nnn[nH]2)nc(-c2cccc(Cl)c2)c1 29314665 XDPQXKAGNXDVLB-UHFFFAOYSA-N 330.735 2.176 0 1 EEAF COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccccn2)n1 40410938 BHXYDHWPQIADCG-CYBMUJFWSA-N 327.388 2.112 0 1 EEAF CC(C)Oc1cc(N2CCOCC2)nc2c([C@H]3CCNC3)nccc12 1911582703 QPRVMWNTKKNCLS-AWEZNQCLSA-N 342.443 2.331 0 1 EEAF CCN(CC)CCN1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1 40863094 YFWKBYJZGLOJSM-UHFFFAOYSA-N 343.475 2.183 0 1 EEAF Cn1cc(C2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)nn1 43014223 RQDRWTLKQRNDSG-CVEARBPZSA-N 325.416 2.260 0 1 EEAF CO[C@@H]1O[C@H](Cn2cc(C3=CCCCC3)nn2)[C@@H]2OC(C)(C)O[C@H]21 87613093 YIRMGPVZOMKBPA-QKPAOTATSA-N 335.404 2.127 0 1 EEAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@@H](CO)[C@H](C)CC 299885554 VQKYQBBROCBSSB-WTANOLMUSA-N 348.443 2.349 0 1 EEAF O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@H](O4)[C@@H]3C(=O)O)ccnc2N1 150296001 DFGSAHDXAISKIW-XHSDSOJGSA-N 338.319 2.318 0 1 EEAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCC(=O)O)[C@H](O)C[C@H]1O 2356313875 IDKLJIUIJUVJNR-SMLCLMEVSA-N 326.433 2.263 0 1 EEAF COc1cc(CO)c(CC(=O)NCCCc2ccccc2)cc1OC 1650708 ZCIZUWTYKOSXNN-UHFFFAOYSA-N 343.423 2.488 0 1 EEAF N[C@@H](CCCN1CCN(c2ncc(F)cn2)CC1)C1CCCCC1 29569587 NZNCPUIWHKCOGJ-KRWDZBQOSA-N 335.471 2.426 0 1 EEAF O[C@H]1CO[C@@H](n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)[C@H]1O 26487932 JWUSTNLBSHEJLK-RWMBFGLXSA-N 344.198 2.168 0 1 EEAF CCCN1CCN(CC(=O)[C@@](O)(c2ccccc2)C2CCC2)CC1 22940306 WVAQPRILABNQGV-HXUWFJFHSA-N 330.472 2.271 0 1 EEAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)CCc2ccccc2)C1 61930498 XSJABKRPMIOSBD-IBGZPJMESA-N 332.444 2.011 0 3 EEAF CC(C)COC(=O)Cc1cc(O)cc2c1C(=O)C[C@@H](C[C@@H](C)O)O2 2356746484 ZICDDWYXFDANHW-BXUZGUMPSA-N 336.384 2.239 0 1 EEAF CCNC(=O)N1CCC[C@]12CCCN(c1ncnc3[nH]ccc13)C2 143755278 OSLXDTSEKCUZTF-KRWDZBQOSA-N 328.420 2.122 0 1 EEAF N#CN1CC[C@@H](C(=O)Nc2ccc(I)cc2)C1 621485850 PFSKIEWHASIZBO-SECBINFHSA-N 341.152 2.033 0 1 EEAF O=c1cc(-c2ccc3c(c2)OCO3)[nH]c2c(-c3cccnc3)cnn12 653628368 TUHOXKDLVQWNOR-UHFFFAOYSA-N 332.319 2.480 0 1 EEAF CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(I)cc2[nH]1 587234724 IHXCYULWZZGQAI-YUMQZZPRSA-N 341.152 2.017 0 1 EEAF N=c1[nH]c2nc([C@H]3CS[C@H](Cc4ccccc4)N3)nc-2c(Cl)[nH]1 587043115 YGFMXPUUVRCZNK-NXEZZACHSA-N 346.847 2.317 0 1 EEAF O=C(NCc1nc2cc3c(cc2[nH]1)OCCCO3)c1cscn1 587028437 PDCRIMAPDSKNKF-UHFFFAOYSA-N 330.369 2.111 0 1 EEAF O=C1N[C@H](C(=O)NCc2cccs2)Cn2c1cc1ccccc12 1772626515 LEKRQVDNWQHVLA-ZDUSSCGKSA-N 325.393 2.131 0 1 EEAF CN(C)Cc1ccn2c(-c3cc[nH]c(=N)n3)c(C(F)(F)F)nc2c1 1857575366 PEBNYYPFKVJCTQ-UHFFFAOYSA-N 336.321 2.284 0 1 EEAF CNC(=O)c1ccc(-c2ccc(/C=C3/NC(=S)NC3=O)s2)cc1 103227931 QGRFVEURMJOKKY-XYOKQWHBSA-N 343.433 2.120 0 1 EEAF COc1ccc(C(N)=O)c2ncnc(NCc3cccc(F)c3)c12 114347984 MUMSIQMSWOOIAW-UHFFFAOYSA-N 326.331 2.489 0 1 EEAF COC(=O)c1ccc(CC(=O)N[C@H](C)c2ccc(OC)cn2)cc1 66074567 OUAJSGLHSYTATD-GFCCVEGCSA-N 328.368 2.297 0 1 EEAF CCOC(=O)c1cc(=O)c2c(OC)c3c(cc2o1)O[C@@H](C(C)(C)O)C3 2356653143 CHXGEXUSMGVBKI-CQSZACIVSA-N 348.351 2.053 0 1 EEAF Clc1ccc2nc(NC3=NC[C@]4(CN5CCC4CC5)N3)sc2n1 210833100 HQEKGUANNJMHFT-OAHLLOKOSA-N 348.863 2.180 0 1 EEAF O=C(N[C@H]1CCc2ccccc21)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1 73196754 JRBPWKGPYGZYOP-QKLQHJQFSA-N 348.450 2.155 0 1 EEAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CCCC2)C1 140133411 WIGCMCSGKOKBHB-UHFFFAOYSA-N 348.410 2.193 0 1 EEAF CO[C@H]1CC[C@H](NC(=O)c2n[nH]cc2NC(=O)c2ccccc2)CC1 299824452 VPYBJHYVRIXQPO-HDJSIYSDSA-N 342.399 2.349 0 1 EEAF CCS(=O)(=O)c1ccc2nc(-c3cc(N)c(N)cc3F)[nH]c2c1 587137173 RHLJAAXMPWBRSU-UHFFFAOYSA-N 334.376 2.327 0 1 EEAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(O)ncnc3[nH]2)C(F)(F)C1 587131750 BZSZEXXCDYPDDA-ZETCQYMHSA-N 341.318 2.028 0 1 EEAF O=C(NCc1nc2cncc(Br)c2[nH]1)c1cscn1 587028630 UQSWDWWAKONJCT-UHFFFAOYSA-N 338.190 2.107 0 1 EEAF COc1cncc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c12 587223778 GBMVXLSIQWQYEN-NSHDSACASA-N 326.356 2.050 0 1 EEAF NC(=O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 587177653 RZMHRIKSAAOEBR-UHFFFAOYSA-N 325.347 2.463 0 1 EEAF COC(=O)[C@@H]1CC(=O)C[C@]2(C1)NCCc1c(OC)ccc(Cl)c12 963256782 FFPSMXFWKJPFID-QGHHPUGFSA-N 337.803 2.232 0 1 EEAF C=Cc1ccc2c(c1)[C@@]1(N=C(N)N(C)C1=O)C1(CCC(OC)CC1)C2 201271389 XZORAVYRRVCQGA-OAAAQFAESA-N 339.439 2.443 0 1 EEAF O=C(Nc1cnc2ccc(Cl)cn2c1=O)OCc1ccccn1 169313119 QJJRFMZCNYALLY-UHFFFAOYSA-N 330.731 2.492 0 1 EEAF COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1 1996008 HRSHKKZSYXXUHX-UHFFFAOYSA-N 340.387 2.127 0 1 EEAF CC(=O)N1NC(c2ccccc2)=NC(=O)[C@@H]1c1cc(C)c(O)c(C)c1 6041125 ICXAIMXLJIPISH-INIZCTEOSA-N 337.379 2.390 0 1 EEAF C[C@@H](NC(=O)OC1CCCCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 6576703 QTOGVWKNZNBBNK-OBORUHMCSA-N 332.400 2.198 0 1 EEAF Cc1ccnnc1-c1nn(C)c2nc(OCc3ccccn3)cnc12 103262419 YGLRTXXKBNPOLL-UHFFFAOYSA-N 333.355 2.103 0 1 EEAF CCOC(=O)C(=CNc1ccc(Cl)c(C(=O)O)c1)C(=O)OCC 101942780 WGRISAXOGADSPN-UHFFFAOYSA-N 341.747 2.460 0 1 EEAF CC=C(C)C(=O)O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@@H]34)[C@H]2C1 2356617218 UPVPJQNTGLTBPC-MDMSPXHWSA-N 346.471 2.360 0 1 EEAF CCOC(=O)[C@]1(CCC2OCCO2)CC[C@@]2(c3ccccc3)ON21 26485735 AFWVTQZWHYYGPD-ADUPEVMXSA-N 333.384 2.335 0 1 EEAF CCCCOCCOC(=O)[C@H](C)NC(=O)c1csc(CC)n1 82070871 UVSRXSVDTNMBAE-NSHDSACASA-N 328.434 2.184 0 1 EEAF CN(Cc1ccccn1)C(=O)[C@H]1CO[C@H]2CCN(CC3CC3)C[C@H]2C1 96042667 KWAKGTCIXFXSTD-LMMKCTJWSA-N 343.471 2.177 0 1 EEAF C[C@@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@H]2[C@@H]1CO)N3 299819846 BXYUQBYZSFOVMX-SOTYOEQRSA-N 326.440 2.397 0 1 EEAF N=c1[nH]c2nc(C3(c4ccc(O)cc4)CCOCC3)nc-2c(Cl)[nH]1 586914117 ZRIVTGARLUOZSI-UHFFFAOYSA-N 345.790 2.173 0 1 EEAF COc1cc(-c2nc3c(S)nc(S)nc3[nH]2)cc(OC)c1O 587785216 JGVGHFFWVHTBIS-UHFFFAOYSA-N 336.398 2.320 0 1 EEAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cccnc3[nH]2)cc1 586924903 CDBFQMMKADVWAO-UHFFFAOYSA-N 329.381 2.177 0 1 EEAF Cc1c2c(nn1C)[C@](C)(c1cc(F)cc(F)c1F)N[C@@H](C(=O)O)C2 962714037 PUIFWHYQYSYPHH-WBMJQRKESA-N 339.317 2.008 0 1 EEAF COC(=O)c1cc(C)ccc1CCCn1cnc2c1NC=NC[C@H]2O 13807702 ICBVMQDRWPSXIR-OAHLLOKOSA-N 342.399 2.098 0 1 EEAF COc1cc([C@@H](OC)[C@H](C)OC(C)=O)cc(OC)c1OC(C)=O 14638091 VRSKRDHLNTZRBI-VFZGTOFNSA-N 326.345 2.268 0 1 EEAF biogenic Cn1nc(CCCC(=O)O)c2c(=O)c3cc(Cl)ccc3n(O)c21 14959904 VRZQLXKLNSGYAM-UHFFFAOYSA-N 335.747 2.186 0 1 EEAF NCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 1857561769 HPHBNHXIUDKHSZ-UXHICEINSA-N 336.483 2.434 0 1 EEAF Cc1c([C@H](C)c2c(F)cccc2F)nc(N2CCOCC2)[nH]c1=O 28866766 CQFHTAOWHQBLSP-SNVBAGLBSA-N 335.354 2.345 0 1 EEAF C[C@@H]1C(=O)[C@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@@]1(CO)CCCC(C)(C)[C@H]1C[C@H]3O 2356495455 SIHFLKYXQVXCGK-ULMBSSDNSA-N 336.472 2.148 0 1 EEAF Cc1cccc2cc(CN3CCC(N4CCOCC4)CC3)c(=O)[nH]c12 67673265 UYIRGWLSPVBYSG-UHFFFAOYSA-N 341.455 2.133 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3c4c(C)ccc(C)c4[C@@H](O)[C@H]23)OC1=O 2356534008 VTDCLRRDQIBELF-VJUNAUMWSA-N 342.347 2.294 0 1 EEAF CC(C)CCC(=O)OCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 7096673 ORZOLACGIUIMIA-UHFFFAOYSA-N 337.376 2.102 0 1 EEAF biogenic Cc1nn(-c2ccccn2)c(O)c1C(=O)Nc1ccc2c(c1)OCO2 73224665 CPJLCNAKGGDMKD-UHFFFAOYSA-N 338.323 2.262 0 1 EEAF CN(C)CCCN(C)c1nc(N2CCC[C@H]2CO)c2sccc2n1 1911575249 NEOACGZYFZCCJW-ZDUSSCGKSA-N 349.504 2.040 0 1 EEAF Cc1cnc(N2CCCN(C)CC2)nc1NCCc1ccc(O)cc1 82202376 NILJQGVIAQXFSR-UHFFFAOYSA-N 341.459 2.287 0 1 EEAF CCCn1c(=O)c(NC(C)=O)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82210430 IMGCBZDCPUSYSN-AWEZNQCLSA-N 348.447 2.143 0 1 EEAF O=C(O)CCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 40939897 YIJRHPWRFSQUMC-UHFFFAOYSA-N 336.775 2.036 0 1 EEAF CC(C)CNC(=O)[C@@H]1C(=O)Nc2ccccc2C(=O)N1C(C)(C)C 199248845 XDUJNNGFGHXYNF-CQSZACIVSA-N 331.416 2.020 0 3 EEAF CCC(CC)C(=O)N[C@@H]1CCN2C(=O)c3ccccc3NC(=O)[C@H]2C1 33625576 KARXJSGJOWZHAT-CZUORRHYSA-N 343.427 2.164 0 1 EEAF biogenic Cn1cccc1C(=O)N1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@H]21 299842087 CTUANQFUDYVMFA-KBAYOESNSA-N 341.411 2.009 0 1 EEAF Oc1ncnc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 587168360 IQLVMGFELYHUSI-UHFFFAOYSA-N 337.318 2.323 0 1 EEAF Cc1c(O)ccc2c1[C@@]1(CCC3(C[C@H]1C)OCCO3)N[C@H](C(=O)O)C2 963508733 MCWLUUYUIUKHNF-WQBCIRTESA-N 347.411 2.058 0 1 EEAF COCCN1CCN([C@@H](CN2CCCCC2)c2ccccc2)CC1 198332846 YRAOZNCALMQNIG-FQEVSTJZSA-N 331.504 2.478 0 1 EEAF COc1ccccc1CNC(=O)C1=NN(C)[C@@H]2[C@@H]1C[C@@H]1[C@H]2C1(C)C 103234995 BFQCYACBPDLSOS-GKLJAUDBSA-N 327.428 2.274 0 1 EEAF COc1ccc(-n2nnc(S(=O)(=O)c3ccccc3)c2C)cc1 9611230 LTXDJZADWZDHGY-UHFFFAOYSA-N 329.381 2.417 0 1 EEAF O=S(=O)(NC[C@@H]1COCc2nc3ccccc3n21)c1ccccc1 2356299235 CJUKKQZBOWAMJB-CYBMUJFWSA-N 343.408 2.086 0 1 EEAF O=C(C1CCOCC1)N1C[C@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 2356302115 MDURNNFKSZAGNG-BBRMVZONSA-N 347.390 2.055 0 1 EEAF Nc1ccc(C(=O)N2CC(=O)N3CCCc4ccccc4[C@H]3C2)cc1 26174639 YTHMXIWJTQUKFU-GOSISDBHSA-N 335.407 2.241 0 1 EEAF COc1cc2c(cc1OC)[C@@H]1C[C@]3(CCN1CC2)CN(C)C(=O)O3 29221675 OHKGHMJFMQQDDV-KBXCAEBGSA-N 332.400 2.218 0 1 EEAF Nc1nc(-c2ccco2)c2cnn(Cc3cccc(C(=O)O)c3)c2n1 29046651 MTKGBJBJLQVLGG-UHFFFAOYSA-N 335.323 2.415 0 1 EEAF CCOc1ccc(S(=O)(=O)NN2Cc3ccccc3C2=N)cc1 35510863 IBTZCYCFZIWKJV-UHFFFAOYSA-N 331.397 2.120 0 3 EEAF O=C(Nc1ccc(Cn2cc3c(=O)[nH]cnc3n2)cc1)c1ccccc1 40394383 ANKGYQZWGZANOK-UHFFFAOYSA-N 345.362 2.420 0 1 EEAF CC(=O)NS(=O)(=O)c1ccc(/C=C(/C(=O)O)c2ccccc2)cc1 95591648 PBRGWBSOMPRTNP-LFIBNONCSA-N 345.376 2.137 0 1 EEAF COc1cc(/C=C/C(=O)N2CCCC=CC2=O)cc(OC)c1OC 95665733 FQRKTLQLLNVYMI-CMDGGOBGSA-N 331.368 2.431 0 1 EEAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3C(=CC[C@@H]12)[C@H]1OC[C@@H](O)[C@@]1(C)C[C@H]3O 238779466 CTPOACOXOBCZPS-SOJUVPGHSA-N 336.472 2.267 0 1 EEAF CC1(C)NC(=O)N(CCc2ccc3[nH]cc([C@H]4C[C@H](N)C4)c3c2)C1=O 258016980 YKKNEWJGMYTISV-JOCQHMNTSA-N 340.427 2.246 0 1 EEAF CCCCNC(=S)N1CCN(CC[C@H](O)c2ccccc2)CC1 473136375 QMRBTVNZOADLTL-KRWDZBQOSA-N 335.517 2.402 0 1 EEAF COc1ccc(OC(=O)N2CCNC[C@@H]2CCc2cccnc2)cc1 653813326 RFEWDVWYHNNHIB-INIZCTEOSA-N 341.411 2.496 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1cnn(C)c1)O2 587389467 AZTHSYOUAGEPLT-INIZCTEOSA-N 337.383 2.418 0 1 EEAF COc1ccc(/C=C/Cc2nc3c(O)nc(O)nc3[nH]2)c(OC)c1 587930792 VPLSTGAXUFYGJX-ONEGZZNKSA-N 328.328 2.037 0 1 EEAF CCOC(=O)[C@H]1COC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587536007 QGDZDKQMEGAWFJ-DNVCBOLYSA-N 330.380 2.479 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)N(C)C)N1 587743154 VYPQKGJWAXIQJE-XLKFXECMSA-N 329.213 2.426 0 1 EEAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cnccc3[nH]2)cc1 586941894 XWQGOIODFROOIL-VQHVLOKHSA-N 328.397 2.357 0 1 EEAF O=C1C[C@]2(CC[C@@H]3[C@@H](C(=O)O)NC[C@H]32)Oc2c1ccc1c2CCCC1 587526233 QIEMNAROIUYIQW-IDVHHABFSA-N 341.407 2.352 0 1 EEAF Cc1nn(Cc2ccccc2)c2c1C(=O)N(C)C1=N[C@@H]3CCC[C@@H]3N12 13776340 YVOOLDONOWRIEB-CABCVRRESA-N 335.411 2.423 0 1 EEAF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)[C@@H](O)C=C1CCN3CCC2 14440758 ZBIQTIQJLXNQFZ-DBVUQKKJSA-N 345.439 2.257 0 1 EEAF biogenic,in-vitro CC1=C[C@@]2(O)C(=O)[C@@H](C)C[C@@H]3[C@H](CC[C@](C)(O)C=C2[C@@H]1O)C3(C)C 254129573 SMGFYRJTHUJGEK-CRKLFMNUSA-N 334.456 2.377 0 1 EEAF C[C@@H](NCCCc1ccccc1)[C@@H](O)c1ccc(O)c(C(N)=O)c1 27742260 DEFRFECNJMGCGV-FZKQIMNGSA-N 328.412 2.135 0 1 EEAF CCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](N)C(C)C 27741945 ZTVNDFOOMBMSCA-JKSUJKDBSA-N 325.497 2.341 0 1 EEAF O=C(NC1CC1)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 84635415 YPUPVMYOUBYNAY-NUTKFTJISA-N 331.416 2.205 0 1 EEAF COC(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O 137838152 KRCLVQVTBIBHIQ-UHFFFAOYSA-N 338.319 2.262 0 1 EEAF C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2)C(c2ccc(F)cc2)=N1 299830718 PFAKPKBQEIPMNO-LLVKDONJSA-N 333.388 2.128 0 1 EEAF CCCCNC(=O)Oc1ccc2c(c1)C(=O)N1CCCN=C1N2C 299834772 ZKNIQABVXKHRSF-UHFFFAOYSA-N 330.388 2.227 0 1 EEAF COC(=O)c1ccnc2nc(C(=O)Cc3ccccc3OC)[nH]c12 587928844 CJTDWPIJMNMLEA-UHFFFAOYSA-N 325.324 2.179 0 1 EEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCNC[C@H]2F 587573287 YSONXEWCTUJQAP-RVKKMQEKSA-N 329.327 2.424 0 1 EEAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(O)nc(N)nc2[nH]1 587926047 GZKXOITVZJESFP-SECBINFHSA-N 329.360 2.200 0 1 EEAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccn(C)n1)[C@@H](C2)C3=O 587430790 HAUZSMUIJLFVKU-SDVJTUAPSA-N 339.395 2.147 0 1 EEAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(O)nc(N)nc2[nH]1 587075663 KNTIVYWWDVRAAV-UHFFFAOYSA-N 341.762 2.455 0 1 EEAF CC1=C[C@H](O/C=C2/C(=O)O[C@H]3[C@@H]2C=C2CCCC(C)(C)[C@@]23O)OC1=O 4097871 FIKOOQXJBAJJSE-MEVMGCQOSA-N 346.379 2.139 0 1 EEAF CCO[C@@H](C=CC=C[C@H](C)O)CCC=CC(=O)NCC(C)(C)O 2356284699 QYFDCLLLDJSPJX-HOTGVXAUSA-N 325.449 2.108 0 1 EEAF O=C(O)CN1C(=O)[C@@H](OC(=O)c2ccccc2)CCc2ccccc21 53243710 MGGCSZNTRKNNQI-INIZCTEOSA-N 339.347 2.276 0 1 EEAF CN1CCN(Cc2c(Cl)cccc2Cl)[C@H](C2=NCCN2)C1 55799450 FIASRUZAYZVVQO-AWEZNQCLSA-N 327.259 2.111 0 1 EEAF O=C1c2ccc(N3CCCCC3)cc2-n2c1nc1ccncc1c2=O 95601727 KTOVIRWGOGVRPI-UHFFFAOYSA-N 332.363 2.315 0 1 EEAF COc1cccc(CCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 587931911 QWKDBLZQOMSXGQ-UHFFFAOYSA-N 331.397 2.004 0 1 EEAF COC(=O)c1ccnc2[nH]c(Cc3cc(F)cc4c3OCOC4)nc12 587171296 LIAMTDOHILFSQZ-UHFFFAOYSA-N 343.314 2.341 0 1 EEAF C[C@@]1([C@@H](O)CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357263 UBVWQDFUUHDEHV-BQFCYCMXSA-N 332.327 2.002 0 1 EEAF CON(C)C(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757399 USQMYGCWGAIVPS-XLKFXECMSA-N 345.212 2.357 0 1 EEAF Oc1nc(O)c2ccc(-c3ccc(N4CCCC4)nc3F)nc2n1 587369410 HHSOFCUQOVEOMC-UHFFFAOYSA-N 327.319 2.237 0 1 EEAF COc1ccc2[nH]nc(-c3cc(N4C[C@@H]5CC[C@H](C4)O5)ncn3)c2c1 1772589634 CWEHPFWXZUFTPR-BETUJISGSA-N 337.383 2.396 0 1 EEAF CCCn1c(O[C@H]2CCN(C)C2)nc2nc(C3CCCC3)[nH]c2c1=O 205308554 VYJIFKCXNFHZAD-ZDUSSCGKSA-N 345.447 2.270 0 1 EEAF O=C(Nc1ccc(F)cc1)N1C[C@@H]2C[C@H](C(=O)N3CCCC3)[C@H](C1)O2 1857604993 BTYMTLSMSNAVQB-JYJNAYRXSA-N 347.390 2.069 0 1 EEAF O=C(Nc1ccc(O)cc1)c1cncc2nnc(-c3ccc(O)cc3)n12 1857654844 AHXOSCSVQKLIME-UHFFFAOYSA-N 347.334 2.455 0 1 EEAF C[C@@H]1O[C@H](OCCCCCCCCC=CC(=O)O)[C@@H](O)C[C@H]1O 2356344798 FDWVWTCEWSMDGI-IVSAIRAKSA-N 330.421 2.231 0 1 EEAF C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@@H]3C[C@@H](C[C@@H]12)OC3=O 104370901 QEANLIISUSNNDX-BQPPTCRNSA-N 344.363 2.383 0 1 EEAF in-man CN(C)CCNC(=O)c1cccc2nc3c(nc12)-c1ccccc1C3 26170790 SWGUIMFTZCHWIA-UHFFFAOYSA-N 332.407 2.492 0 1 EEAF COc1ccc(C2=NN(CCCO)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26570851 VUISAJWDMBCIQP-GJZGRUSLSA-N 346.427 2.439 0 1 EEAF COc1ccc2c(c1)N[C@@H]1[C@@H]3[C@@H](OC)OC=C4CN5CC[C@@]21[C@H]5C[C@H]43 2356505881 SWKLBBXUTMDNSJ-UERDNWEXSA-N 340.423 2.338 0 1 EEAF c1ccc(CN2C[C@H]3COCCN3C3(C2)CN(C2CCCC2)C3)cc1 2356543804 XXEPLJBIZUCYAZ-FQEVSTJZSA-N 341.499 2.200 0 1 EEAF COc1ccc2c(c1)CN(C1CCOCC1)CC[C@@H]1COC(=O)N21 2356567047 FHXNVKYUNPWOGJ-OAHLLOKOSA-N 332.400 2.405 0 1 EEAF CCCNC(=O)[C@]1(C)CCCN(C(=O)COCc2ccccc2)C1 61904140 MBWXYMCFSMYHIY-LJQANCHMSA-N 332.444 2.358 0 3 EEAF CCOC(=O)[C@@]1(C)c2[nH]c3ccc(OC)cc3c2CCN1C(C)=O 488886 CWYQLQKPKXTKCG-GOSISDBHSA-N 330.384 2.359 0 1 EEAF biogenic CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)Nc1nccs1 36388609 WHWXHSUFFTXZLY-UHFFFAOYSA-N 341.396 2.391 0 3 EEAF COc1ccc(C(=O)[C@@H]2CCCN(c3nccc(N)n3)C2)c(C)c1 91425108 UEEAQYRQXIOSLK-CYBMUJFWSA-N 326.400 2.475 0 1 EEAF CC[C@H]1CN[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3 238775864 SAJWGFXMIQVKFI-RQPZORNLSA-N 342.439 2.255 0 1 EEAF c1ccc(COC[C@H]2CC[C@H]3[C@@H](CCN3c3ncccn3)O2)nc1 299843197 ODYAYDOSCBAXOT-IXDOHACOSA-N 326.400 2.215 0 1 EEAF Oc1ncnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 587004110 QVDKKGBRBJXQNM-UHFFFAOYSA-N 331.133 2.364 0 1 EEAF COC(=O)c1cc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2cn1 587787599 WENQQYYRUDHRSG-UHFFFAOYSA-N 341.323 2.241 0 1 EEAF COc1cc2nc(CCNC(=O)OCc3ccccc3)[nH]c2cn1 587228533 RSFILMLROPAMOF-UHFFFAOYSA-N 326.356 2.435 0 1 EEAF CC1(C)COC2(C[C@H]3Cc4nc5nc(O)nc(O)c5cc4[C@@H]3C2)OC1 587563078 PSPCCBQHYZARHQ-BXKDBHETSA-N 343.383 2.255 0 1 EEAF O=C(c1ccc2c3n(nc2c1)-c1ccccc1CO3)N1CCOCC1 13657657 QIOGLIJYNJFTAZ-UHFFFAOYSA-N 335.363 2.390 0 3 EEAF Cc1[nH]c(-c2ccccc2)nc1CN1CCN(c2ncccn2)CC1 13760737 WVAKMWHEKNXRHK-UHFFFAOYSA-N 334.427 2.497 0 1 EEAF CC(C)C[C@@H](C(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 29565562 RTQVUYOWZRGAHW-HIFRSBDPSA-N 346.383 2.027 0 1 EEAF CN1C[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H](C1)N2C 26404067 GVZXTWDXVBUVBA-MQVJKMGUSA-N 342.487 2.271 0 1 EEAF OC1(c2cn(C[C@@H]3Cc4c([nH]c5ccccc45)CN3)nn2)CCCC1 64526498 BYCWAWJBJWYJLH-ZDUSSCGKSA-N 337.427 2.236 0 1 EEAF CC[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3[C@@H](C=N4)C[C@@H]2N(C)C1 2356811279 BMMFLSWFLUVBSZ-MMQJMDILSA-N 339.439 2.091 0 1 EEAF CCc1noc(CC)c1COc1nc2oc(=O)cc(CC)c2c(=O)[nH]1 73224799 SXJAVLPVYATPQO-UHFFFAOYSA-N 345.355 2.131 0 1 EEAF C[C@@H]1Cc2cc(N(C)N(C)C)c(F)cc2-c2cc(=O)c(C(=O)O)cn21 40741569 GXVZHVVFOZZHPA-SNVBAGLBSA-N 345.374 2.383 0 1 EEAF O=C(c1ccnnc1)N1CC[C@H](OCC2CC2)[C@@H]1Cc1ccncc1 96070003 QAYCCJNDHNZWCC-ROUUACIJSA-N 338.411 2.124 0 1 EEAF NC(=O)c1cc2cc(Br)c(C(F)(F)F)nc2nc1N 95556038 CENBBVPSOFGGNG-UHFFFAOYSA-N 335.083 2.092 0 1 EEAF in-vitro Cc1nc2[nH]c(-c3nn(C)c(O)c3F)nc2cc1Br 587154519 CUUFQUNWMNLCEE-UHFFFAOYSA-N 326.129 2.274 0 1 EEAF N[C@H](N=O)c1ccc2nc(CCNC(=O)Cc3ccccc3)[nH]c2c1 587228990 XBGSEOGRTZIMCW-GOSISDBHSA-N 337.383 2.188 0 1 EEAF CCOC(=O)[C@H]1Cc2cc3c(O)nc(O)nc3nc2-c2ccccc21 587559514 JPDCZRLRSAPDFV-LBPRGKRZSA-N 337.335 2.306 0 1 EEAF CCOC(=O)c1c(N)sc(-c2ccc3c(O)nc(O)nc3n2)c1C 587563315 REZAVPOVXSENCM-UHFFFAOYSA-N 346.368 2.232 0 1 EEAF COc1ccc2c(c1OC)[C@@](c1cccs1)(C(O)O)N(C)[C@@H](C)C2 962632541 UGVPAYKFQFCMRJ-VOJFVSQTSA-N 349.452 2.196 0 1 EEAF CC(C)(CO)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772620271 BGTCLNCDGPNQOW-UHFFFAOYSA-N 326.400 2.245 0 1 EEAF COc1ccc2nc(CCc3ccccc3)c(=O)n(CC(=O)O)c2c1 1772583536 UUTDJSZTHYJHQX-UHFFFAOYSA-N 338.363 2.275 0 1 EEAF COc1cccc(N2[C@@H](CC(=O)O)c3ccccc3S2(=O)=O)c1 12478986 WAIZZUKTAVMGNF-AWEZNQCLSA-N 333.365 2.420 0 3 EEAF CCCn1c(=O)c2c(nc3n2CC(C)=C3)n(Cc2ccccc2)c1=O 13648040 HMQNPUFPJRTPMX-UHFFFAOYSA-N 336.395 2.235 0 1 EEAF NC[C@H](N)CNC(=O)C(CCc1ccccc1)CCc1ccccc1 1857553798 RGIFIWKTOFDMKE-FQEVSTJZSA-N 339.483 2.270 0 1 EEAF CC[C@@H](CO)N(Cc1ccccn1)C(=O)c1ccc2c(c1)CCO2 55183326 HSFHBXNKBVISJM-KRWDZBQOSA-N 326.396 2.430 0 1 EEAF O=C(O)CCCc1ccc(NC(=O)[C@@H](O)[C@@H](O)c2ccccc2)cc1 26575505 FIBDCYWSAATLNF-ROUUACIJSA-N 343.379 2.127 0 1 EEAF Cc1ccc(Cn2cc(C(=O)O)c(=O)c3ccc4c(nnn4C)c32)cc1 28704658 BBURTQCTLMSCLS-UHFFFAOYSA-N 348.362 2.338 0 1 EEAF O=C1NC(=O)c2c1c([C@H]1CCCNC1)cc1[nH]c3ccc(O)cc3c21 36161192 XYFALEZTWVAUGS-VIFPVBQESA-N 335.363 2.377 0 1 EEAF Oc1ccc2c3c1O[C@H]1CCC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 40407854 XBPQMXFKKJADMC-WOUAJJJCSA-N 327.424 2.346 0 1 EEAF in-vivo CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H](C)NC1=O 84654877 GJKHCIKADBBUPX-PXAZEXFGSA-N 325.412 2.222 0 1 EEAF COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2OC)cc1O 29037453 YMSMRPNRLZXMMQ-DLBZAZTESA-N 332.308 2.143 0 1 EEAF biogenic NC(=O)c1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1 653856986 FPCNFWJGROIGLW-UHFFFAOYSA-N 338.352 2.368 0 1 EEAF COC(=O)c1cc2nc(CC(=O)OCc3ccccc3)[nH]c2cn1 587782944 STCUDHXPLKSQDK-UHFFFAOYSA-N 325.324 2.030 0 1 EEAF CCOC(=O)N1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](OC)C1 587396932 XMEBPWBRSHXFSN-CRAIPNDOSA-N 348.399 2.158 0 1 EEAF Cc1c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586903221 HOUFSEIAOGPZMR-ZDUSSCGKSA-N 336.355 2.477 0 1 EEAF CN(C)C(=O)c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 586924139 IWEYWRIYCBUWIC-UHFFFAOYSA-N 335.429 2.122 0 1 EEAF O=C(c1n[nH]c2c1CCCC2)n1ncc2ccc(Cl)cc2c1=O 587655190 VSDNKYCGWLHGPC-UHFFFAOYSA-N 328.759 2.340 0 1 EEAF NC(=O)N1CCc2sccc2[C@]1(c1ccccc1)c1nc[nH]n1 962696023 FGFKUMWRCVKYMH-MRXNPFEDSA-N 325.397 2.095 0 1 EEAF N[C@@H]1Cc2c(Cl)cccc2[C@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962892872 FEDIEJOVOQXNFN-DAYGRLMNSA-N 346.789 2.205 0 1 EEAF O=C1NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2C1=O 13683170 WHJYGQWOLDOZBU-UHFFFAOYSA-N 328.711 2.045 0 1 EEAF CN1CCN(c2nc(-c3ccc(Cl)cc3)nc3[nH]cnc23)CC1 1857608692 QAVXOUMTNXHKLA-UHFFFAOYSA-N 328.807 2.425 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NC1[C@H]2CC3CCN(C2)C[C@@H]1C3 101343904 LHRDFDIUFJAUDZ-QWGLUNSVSA-N 349.862 2.391 0 1 EEAF CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCN(C)CC1 20900994 QNPGXIUVFXDFFE-UHFFFAOYSA-N 339.848 2.060 0 1 EEAF C[C@H](Cn1ccnc1)Cn1nnc2ccc(Br)cc2c1=O 26391241 GEYPUADDQVCXBW-SNVBAGLBSA-N 348.204 2.087 0 1 EEAF CNC(=O)[C@@H]1CCC[C@H]1n1cnc2c(NC3CCCC3)ncnc21 29132522 GCHUIWVKXAQACX-CHWSQXEVSA-N 328.420 2.268 0 1 EEAF CC(C)C=CC=C(CO)[C@@H]1CC[C@@]2(C)C[C@@](O)(CC[C@@H]2O)[C@@H]1CO 2356530828 SQOSIRPMZMWBHD-WPVAHCMFSA-N 338.488 2.418 0 1 EEAF C[C@]1(CO)C[C@H](O)C[C@]2(C)[C@@H]1CC[C@H]1C[C@H]3C[C@@]12CC[C@@]3(O)CO 2356699914 OAKHNFTWNASSDJ-HKSVFORWSA-N 338.488 2.086 0 1 EEAF CC(=O)OC[C@@H]1Cc2c[nH]c3cccc(c23)N(C)[C@@H](C(C)C)C(=O)N1 5141680 WJBVMJYASZWGBL-KSSFIOAISA-N 343.427 2.233 0 1 EEAF biogenic CCOC(=O)C1=C(O)[C@@H]2[C@H]3C(O)=C(C(=O)OCC)[C@H]4[C@H]1[C@@H]1[C@@H]2C[C@@H]3[C@@H]41 195504756 GDMNLDOPKZZEJL-XCARITLQSA-N 346.379 2.125 0 1 EEAF Cc1cc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)ccc1F 40874750 MLTJSHKDQQQOHN-UHFFFAOYSA-N 332.360 2.029 0 1 EEAF Cn1c(=O)c2c(cc(-c3nc4ccc(Cl)cc4o3)n2C)n(C)c1=O 95593789 HCOHLYSYAPVZHQ-UHFFFAOYSA-N 344.758 2.037 0 1 EEAF CO[C@H]1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)CC1(C)C 144813606 CVAQGQQKWMAYLM-INIZCTEOSA-N 339.370 2.403 0 1 EEAF CNC(=O)c1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3 141824825 WSHLKVFNBFHAEP-UHFFFAOYSA-N 339.376 2.376 0 1 EEAF COc1ccc(-c2cc(C(=O)N[C@H](C)C(=O)O)c(C)o2)cc1OC 621429302 ARSSIZWOCQTPSY-SECBINFHSA-N 333.340 2.475 0 1 EEAF COc1c(F)ccc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1N 587133181 LOIBVZOAXBAXRL-UHFFFAOYSA-N 337.332 2.207 0 1 EEAF CCOC(=O)C[C@]1(c2cncn2C)CC(=O)c2cc(C)cc(N)c2O1 587389522 IEJUQELYUSDCES-SFHVURJKSA-N 343.383 2.125 0 1 EEAF O=C(O)c1ccnc(-n2nccc2OCc2cccc3c2OCC3)c1 146637144 ILTCPDIVBYUMLZ-UHFFFAOYSA-N 337.335 2.479 0 1 EEAF CC(C)N1CCN(CCCOc2ccc3c(c2)NC(=O)CC3)CC1 1772580496 LNSJHGDEBCQKEU-UHFFFAOYSA-N 331.460 2.366 0 1 EEAF CCCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)NCCCc1ccccc1 13805232 OGROYLSSMWEENY-ROUUACIJSA-N 347.503 2.394 0 1 EEAF NC(=O)c1cnn2cc(-c3ccccc3)cc2c1N[C@@H]1CCCNC1 203826568 RFTYYGFGZYEHHU-OAHLLOKOSA-N 335.411 2.264 0 1 EEAF Nc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1 205819101 AINRMAAGGGIKBD-UHFFFAOYSA-N 338.396 2.177 0 1 EEAF CCCc1nnc(SCC(=O)N2CCCC2)n1C[C@H]1CCCO1 1355861 VKJOHKFFMOETSW-CYBMUJFWSA-N 338.477 2.124 0 3 EEAF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@H](C(C)=O)[C@H]1C[C@@H]23 2356397548 DHAOEWPYRANXCZ-XBMZAUBUSA-N 338.407 2.090 0 1 EEAF COC(=O)C=CC(C)=C[C@H](C)[C@@H](O)c1cc(O)cc(NC(C)=O)c1O 2356446240 CEGIRERGELADRL-APPDUMDISA-N 349.383 2.401 0 1 EEAF CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCc1cccs1 20531734 KZQREQWBIRPELC-UHFFFAOYSA-N 348.468 2.135 0 1 EEAF C[C@@H]1O[C@H](OCCCCCCCCCCC(=O)O)[C@@H](O)C[C@@H]1O 2356629473 GEMAYWCAMMUVTD-JKQORVJESA-N 332.437 2.455 0 1 EEAF COC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCO2 71294394 MBCNWYWIPIQFSV-UHFFFAOYSA-N 347.392 2.369 0 1 EEAF COc1ccc(-c2nc(CNCCCN3CCOCC3)co2)cc1 72185215 OUMYPOKVBHUNRG-UHFFFAOYSA-N 331.416 2.162 0 1 EEAF CCCCOC(=O)c1cc2c3cc[cH-]cc-3nc2c([C@@H](O)CO)n1 70451092 REMYPOIKVCEMAX-HNNXBMFYSA-N 327.360 2.436 0 1 EEAF biogenic,in-vitro O=C(CCc1cccnc1)Nc1nc2cccc(Br)n2n1 74387914 ICXMQLOSPZJNBV-UHFFFAOYSA-N 346.188 2.458 0 1 EEAF COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1 40860132 OOEDLLHBWZXTAD-ROUUACIJSA-N 342.439 2.414 0 1 EEAF COc1ccc(C=O)cc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587786679 OGVLPSYKVBYRMY-UHFFFAOYSA-N 332.337 2.298 0 1 EEAF Oc1ncnc2[nH]c(-c3cnn4cccc(Br)c34)nc12 587006267 GGYDALHWCIPLMR-UHFFFAOYSA-N 331.133 2.136 0 1 EEAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc3cn[nH]c3cc2[nH]1 586948926 NDRYRNPQURLEET-UHFFFAOYSA-N 341.396 2.402 0 1 EEAF CCS(=O)(=O)c1ccc2[nH]c(-c3c(N)cncc3OC)nc2c1 587254650 TZQJFFHKLOOPBN-UHFFFAOYSA-N 332.385 2.009 0 1 EEAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(N)c2c(C)n1)c1ccccc1 1772649335 HPRZORYCDRRJPY-CYBMUJFWSA-N 340.387 2.358 0 1 EEAF CS(=O)(=O)c1ccc(C2=C(c3ccc(O)cc3)C(=O)OC2)cc1 13818527 VHWZIWIGNRZWFK-UHFFFAOYSA-N 330.361 2.263 0 1 EEAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H]1OC(=O)[C@@H]3C[C@@H](O)C[C@@H]2[C@@H]13 15165377 GFUMUSWDMNZQDZ-RRAXNNJVSA-N 346.379 2.223 0 1 EEAF endogenous,in-man O=C(N[C@H]1CC[C@@H](c2ccccc2)CC1)c1nc(O)nc(O)c1O 1857541554 AJPWVXCQXANIRP-TXEJJXNPSA-N 329.356 2.050 0 1 EEAF NC(=O)c1sc(CN2CCOCC2)cc1OCCc1ccccc1 1857761822 SYGYXTLXFINFNP-UHFFFAOYSA-N 346.452 2.301 0 1 EEAF CO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN21 103215214 MWULQWABMSNGLF-WCBMZHEXSA-N 344.824 2.372 0 1 EEAF O=C(O)c1cn2c3c([nH]c(=O)c2n1)-c1ccccc1[C@@H]3n1cccc1 28225415 SEZGYYXXLBFPSQ-AWEZNQCLSA-N 332.319 2.140 0 1 EEAF CCOc1cnc(N2CCN(c3noc(CC)n3)[C@@H](C)C2)c(C)c1 103252701 PNFGQYGHKTVBQU-ZDUSSCGKSA-N 331.420 2.449 0 1 EEAF C[C@H]1[C@H](N)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C(C)(C)C 27428560 CJYCRNDRJOZVDX-TVQRCGJNSA-N 347.390 2.130 0 1 EEAF CC1=C2C=C3CC[C@@H]4C(C)(C)C(=O)O[C@@H](O)[C@@]4(C)[C@@H]3C[C@H]2OC1=O 39005909 HCIBZVFRFNDABN-RWVXVPBESA-N 332.396 2.492 0 1 EEAF O=C(O)c1noc(-c2cccc(I)c2)c1CO 42922440 NRDPTAXLSPQIGI-UHFFFAOYSA-N 345.092 2.137 0 1 EEAF C/C=C\[C@H]1Oc2ccc(OC)cc2N2C(=O)[C@H](C)[C@H](OCOC)[C@@H]12 195492774 BSKPAPARTCMSGM-ZBLZFTNZSA-N 333.384 2.373 0 1 EEAF CC[C@@H](CO)Nc1nc(Nc2ccncn2)c2ncn(C(C)C)c2n1 95595697 IQCJUFCNJOJFEQ-NSHDSACASA-N 342.407 2.124 0 1 EEAF CCN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1F 95565111 USBRKWNEPKAILX-NSHDSACASA-N 332.297 2.472 0 1 EEAF Cc1cc(Cn2cc([C@@H](C)Cc3ccc4c(c3)OCO4)nn2)n[nH]1 91390925 WDVXJQLQQJFXRE-NSHDSACASA-N 325.372 2.433 0 1 EEAF Cc1ccc(N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)nn1 299843102 MIEUHYSAWODGAC-GJZGRUSLSA-N 328.441 2.269 0 1 EEAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(N)ncnc2[nH]1)C(C)(C)C 587205260 OKJVZDIDFUYDSC-VIFPVBQESA-N 334.424 2.417 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(CO)cc2[nH]1 587232549 ZAJNRYFFFUTXMF-ZIAGYGMSSA-N 331.416 2.092 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCOCC1 587872461 NNMSBSQXYQTMHP-UHFFFAOYSA-N 333.363 2.060 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccccc1)O2 587408759 OGCWMNDJNCGXGR-GOSISDBHSA-N 345.420 2.483 0 1 EEAF CCNC(=O)c1ccc(OCc2conc2[C@@H]2CC[C@@H](F)CN2)nc1 169685453 BNWULAPQCJYZBN-KGLIPLIRSA-N 348.378 2.161 0 1 EEAF COc1ccc(C(=O)Nc2ccc([C@@H]3CCNC3)cc2)c(OC)n1 117732597 TWVLHOJNKLTPFZ-CYBMUJFWSA-N 327.384 2.428 0 1 EEAF O=C(c1ccco1)N1CCN(c2nc3ccsc3c(=O)s2)CC1 2601994 SCFMQKOEAPCEON-UHFFFAOYSA-N 347.421 2.273 0 3 EEAF COc1ccc(-c2noc(C(=O)NC3CCOCC3)c2[C@@H](C)O)cc1 2356290708 ZWLMHYZFCBCMTH-LLVKDONJSA-N 346.383 2.312 0 1 EEAF O=C(Nc1ccccc1)[C@@H]1O[C@H](CCN2CCCCC2)CC[C@H]1O 2356817495 DLSRLAIABBDOFB-RCCFBDPRSA-N 332.444 2.410 0 1 EEAF CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCc3ccc(C)cc3)n2)C1 82203494 VGDHOCCCCIEBJN-QGZVFWFLSA-N 339.443 2.420 0 1 EEAF COCCOC(=O)c1c(C)n(O)c2cc(Cl)c(Cl)cc2[n+]1=O 139322006 BWMWEGDSJJNIFC-UHFFFAOYSA-N 348.162 2.212 0 1 EEAF O=C1c2ccccc2[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN12 40379530 IUGJKYYTCLXXPD-INIZCTEOSA-N 346.383 2.027 0 1 EEAF O=C(/N=c1\[nH]cc(-c2ccccc2)[nH]1)C1=NNC[C@H]1c1ccccc1 95559285 IHGPKQHIUZHXGL-HNNXBMFYSA-N 331.379 2.180 0 1 EEAF COc1c(O)cc2c(c1OC)CCCN1CCC3=CC[C@H](O)C[C@]321 238743949 OQMVSCHTEYJJII-DJJJIMSYSA-N 331.412 2.338 0 1 EEAF COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1OC 141616916 XTYVHQPRDBFNFI-OMNBBPDLSA-N 327.380 2.053 0 1 EEAF CC(C)C(=O)OCc1ccc([C@@](C)(O)COC(=O)C(C)C)c(O)c1 238730914 KDNYWYODIQTBNM-SFHVURJKSA-N 338.400 2.498 0 1 EEAF O=C(c1ccncc1F)N1CC[C@H]2O[C@H](COCC3CC3)CC[C@H]21 299842321 FYNKCRUCRPBMMQ-IAOVAPTHSA-N 334.391 2.409 0 1 EEAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccnc(N)c2[nH]1 586972995 LRZBOWJEVQRYDT-CQSZACIVSA-N 341.440 2.651 0 1 EEAF Cc1c(O)ccc2c1[C@@]1(CCC3(C[C@@H]1C)OCCO3)N[C@H](C(=O)O)C2 963508727 MCWLUUYUIUKHNF-KLRAXDNASA-N 347.411 2.058 0 1 EEAF c1ccn2c3c(nc2c1)CCNC31CCN(c2nccs2)CC1 962985511 PIUJCSSHDAJOCE-UHFFFAOYSA-N 325.441 2.432 0 1 EEAF CCC[C@]1(CC(=O)OCC)NCCc2ccc(C(=O)N(C)C)cc21 962924097 MVLRXKUTQJNAEC-LJQANCHMSA-N 332.444 2.483 0 1 EEAF O=C1C=CCCN1C(=O)/C=C/c1c(O)c2ccc(Cl)cc2oc1=O 1772620050 YNCNYPJTJVBXMZ-VOTSOKGWSA-N 345.738 2.480 0 1 EEAF CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(C34C[C@@H]5CC3C[C@H](C5)C4)nc21 100643620 FVGRCQWVXKAUCG-BLLWQLBWSA-N 342.443 2.157 0 1 EEAF COC(=O)[C@@H](NC(=O)CCCCc1ccc2c(c1)OCO2)C(C)C 58487511 RYZHOFMBEIPGJS-KRWDZBQOSA-N 335.400 2.442 0 1 EEAF CC=C1CN2C(=O)[C@@]3(c4ccccc4NOC)C[C@H]2[C@H]2CO[C@H]3C[C@@H]12 2356619457 GYLCVLMCDDODNS-GYPRTHBGSA-N 340.423 2.493 0 1 EEAF COc1cc([Si](C)(C)c2ccc3c(c2)OCO3)cc(OC)c1OC 210382411 MGWAIMVGDFGMDC-UHFFFAOYSA-N 346.455 2.264 0 1 EEAF C[C@@H]1CCCCC[C@H](O)C(=O)[C@@H](OC(=O)c2ccccc2)CC(=O)O1 14636797 OWHXCLRNVJQCOY-KBMXLJTQSA-N 348.395 2.428 0 1 EEAF biogenic COc1cc(/C=C/C(=O)OCCCCCO[N+](=O)[O-])ccc1O 84741937 GGJBRZAFYXRNMF-SOFGYWHQSA-N 325.317 2.336 0 1 EEAF O=S(=O)(C[C@H]1NCc2cc(F)ccc21)NCc1ccc(F)cc1 96020252 UZLQGSPQRRCBEF-MRXNPFEDSA-N 338.379 2.229 0 3 EEAF NS(=O)(=O)c1ccc(-c2cc([C@H]3C[C@H]4CC[C@@H]3N4)cnc2F)cc1 95557092 LSPFRPGGOBZZFJ-XPKDYRNWSA-N 347.415 2.143 0 1 EEAF COc1ccc(NC(=O)CSc2nc3nccnc3[nH]2)cc1OC 299820707 HOEMAHQNUDDBGC-UHFFFAOYSA-N 345.384 2.101 0 1 EEAF CCOC(=O)c1c(-c2cnccn2)[nH]c2ccc(S(C)(=O)=O)cc12 587651209 NKASKJPYACILEG-UHFFFAOYSA-N 345.380 2.205 0 1 EEAF CC1(C)OC(=O)C(c2nc3ccc(OC(F)(F)F)cc3[nH]2)=C1N 587255389 MVAFEPGTHQVDRA-UHFFFAOYSA-N 327.262 2.467 0 1 EEAF CCS(=O)(=O)c1cccc(Cc2nc3nc(Cl)c[nH]c-3n2)c1 586923079 XZPIEXLVMALBFZ-UHFFFAOYSA-N 336.804 2.342 0 1 EEAF CC(C)(C)OC(=O)N1CC[C@H]2c3nc4nc(O)nc(O)c4cc3[C@@H]2C1 587559502 YWEFSVILWIGAIK-LDYMZIIASA-N 344.371 2.258 0 1 EEAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(C(=O)O)c1O 587944291 DLXIFUCCFYQJBN-JTQLQIEISA-N 328.227 2.220 0 1 EEAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587095093 XRRVXFUPSGSMKQ-KSBSHMNSSA-N 329.282 2.416 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cnn(C)c1)O2 587391623 NYRBNHCSXSWSAZ-XFHJGTJQSA-N 326.400 2.247 0 1 EEAF COc1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cn1 587226245 XKZRWYFDYKFQIG-LLVKDONJSA-N 326.356 2.050 0 1 EEAF COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4ccc(F)cc41)[C@@H](C2)C3=O 587426257 ADSARJMNKDBFEX-DJJJIMSYSA-N 339.322 2.454 0 1 EEAF O=C(O)CSc1ncccc1-c1nc2cc(CCO)ccc2[nH]1 586967819 GNLPYZLXEVDGEO-UHFFFAOYSA-N 329.381 2.336 0 1 EEAF C[C@H]1CNC(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587791637 GQQQYLZTUVCULL-QQXLSSBLSA-N 341.224 2.474 0 1 EEAF O=C1N[C@H](C(=O)O)Cc2cn(cn2)C/C=C\Cc2ccc(Cl)c1c2 169313432 CRJZTXVLJWNQDW-OYADATRGSA-N 345.786 2.075 0 1 EEAF COc1ccc(-n2sc(=O)n(-c3ccc(OC)cc3)c2=O)cc1 1857749871 VCTOHFMTZNVYTH-UHFFFAOYSA-N 330.365 2.067 0 1 EEAF C[C@@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)NCc1ccccc1)C(=O)N2 101090382 BJEIAJDDINZWTF-SYNHAJSKSA-N 336.391 2.331 0 1 EEAF Cn1cc(C(=O)O)c(=O)c2ccc3c(nnn3Cc3ccccc3)c21 66100712 WNYSDXRAOGJTSJ-UHFFFAOYSA-N 334.335 2.030 0 1 EEAF COc1cccn2nc(CCc3nc(-c4cncs4)cn3C)nc12 117876885 DVHPJJMYHAAOEK-UHFFFAOYSA-N 340.412 2.380 0 1 EEAF CCOC(=O)[C@@]1(C)CCCN1C(=O)c1cncc(Br)c1 61902937 KYRPXCDOSHCSSZ-CQSZACIVSA-N 341.205 2.402 0 3 EEAF CC[C@@H](C(N)=O)N1C[C@H](c2ccccc2Br)CC1=O 34028401 CMGYTWWVFFCIAP-SKDRFNHKSA-N 325.206 2.029 0 1 EEAF CCCn1cnc2c1CN(C(=O)c1cccs1)[C@H](C(=O)OC)C2 15707012 HJMHHEHVZHGGQA-LBPRGKRZSA-N 333.413 2.095 0 1 EEAF biogenic CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]1Cc1ccccc1 13429867 YZUOZVNKLNYNTM-MOPGFXCFSA-N 347.418 2.279 0 1 EEAF biogenic [O-][n+]1nn(Cc2ccccc2)c(Br)c1Br 84712220 NIYWAPZGXVPHMZ-UHFFFAOYSA-N 332.983 2.090 0 1 EEAF CS(=O)(=O)c1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1 587150577 NBAACLWALDZWCV-AWEZNQCLSA-N 337.351 2.293 0 1 EEAF CC[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586888422 IVQIQTQTPMZLRB-SUMWQHHRSA-N 349.456 2.487 0 1 EEAF Cc1ccc(C)c(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c1 587560407 HKWYPBFGKLDDSK-UHFFFAOYSA-N 325.324 2.347 0 1 EEAF Cc1ccc(NC(=O)CSCCc2nc3c(O)ncnc3[nH]2)cc1 586970941 PVYVUEQBUQUQNA-UHFFFAOYSA-N 343.412 2.281 0 1 EEAF COC(=O)c1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cn1 587171714 ROLSWIWIYUMFLQ-UHFFFAOYSA-N 343.314 2.341 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1cnn(C)c1)O2 587389483 AZTHSYOUAGEPLT-MRXNPFEDSA-N 337.383 2.418 0 1 EEAF C[C@@]1(c2cccc3c2OCO3)N[C@H](C(=O)O)Cc2cccc(F)c21 962909382 XBTRXIJNKGYVQM-UGSOOPFHSA-N 329.327 2.417 0 1 EEAF Cc1ccc(-c2cn3c(=O)c4ncn(CCCCO)c4[nH]c3n2)cc1 1857543996 PTUFTTMTPGAXNF-UHFFFAOYSA-N 337.383 2.120 0 1 EEAF COc1ccc(OC)c([C@@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@@H]32)c1 1857612767 MDCZNDHPKMYHDZ-CABCVRRESA-N 327.340 2.126 0 1 EEAF O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCC(=O)N1C1CCCCC1 219577 BRLKSZKYEADNBU-OAHLLOKOSA-N 344.411 2.355 0 3 EEAF C[C@@H](c1ccc(F)cc1)n1cc(C(=O)NCc2ccccn2)nn1 4458535 YTDXVPJWJNBQRM-LBPRGKRZSA-N 325.347 2.352 0 3 EEAF COc1cc(OC)nc([S@@](=O)c2cccc(Cl)c2C(=O)O)n1 103190218 WSPVSMQGRPVQRY-JOCHJYFZSA-N 342.760 2.012 0 1 EEAF O=C(N1CCOCC1)N1CCN(c2ccccc2C(F)(F)F)CC1 103230848 MERRHWANGSILHO-UHFFFAOYSA-N 343.349 2.280 0 1 EEAF O=C([C@@H]1C[C@H](N2CCC(c3ccccc3)CC2)CN1)N1CCSC1 28889076 ZRRZCCILRVBHFY-ROUUACIJSA-N 345.512 2.129 0 1 EEAF CC(=O)NCCCCN1CCCN(C)[C@H](c2ccccc2)CC1=O 15147704 GHSPELNMZURBHZ-SFHVURJKSA-N 331.460 2.198 0 1 EEAF biogenic CNC1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1 45337438 BHXHPVOSRRLEOM-UHFFFAOYSA-N 338.459 2.327 0 1 EEAF O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(OCCCO)c12 85569509 HYIXXWOTJDKNQH-UHFFFAOYSA-N 344.319 2.338 0 1 EEAF biogenic,in-vitro CCc1nc(C(=O)N[C@H](C)C(=O)OCCc2ccccn2)cs1 82070873 WXWPVMCEVJVFMA-LLVKDONJSA-N 333.413 2.005 0 1 EEAF Cc1cccc2c1S(=O)(=O)c1ccc3[nH]c(C(=O)O)cc(=O)c3c1-2 149037716 GMQFFILSGXOPDE-UHFFFAOYSA-N 341.344 2.348 0 1 EEAF C/C=C1/CN2CC[C@@]34C(=O)c5ccccc5N3[C@H](C(=O)OC)[C@@H]1C[C@@H]24 238742412 PPYARVBMTFPVQA-IUIBSDGFSA-N 338.407 2.024 0 1 EEAF Cc1cc(NCc2ccccc2C(N)=O)c2cccc(C(N)=O)c2n1 473095142 XJLFMIONYSKPIV-UHFFFAOYSA-N 334.379 2.353 0 1 EEAF CC(C)(CO)NC(=O)c1nn(-c2ccc(F)cc2)c2c1C[C@H]1C[C@@H]21 299826159 XSKXHXDVPDTNLO-ZWNOBZJWSA-N 329.375 2.172 0 1 EEAF COc1ccc(S(=O)(=O)Oc2cc(-c3ccccn3)[nH]n2)cc1 653885943 FNQCLOZFUJSOJE-UHFFFAOYSA-N 331.353 2.248 0 1 EEAF CCOC(=O)C(F)(F)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418160 BAWLJWVNHATZHQ-BMIGLBTASA-N 326.295 2.400 0 1 EEAF CC(C)(Cl)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587008890 RHHDJIYTOUDNPP-UHFFFAOYSA-N 343.836 2.058 0 1 EEAF C/C=C\C[C@@H]1Cc2nc3nc(O)nc(O)c3cc2[C@H]1CC(=O)OC 587559919 PDJDXELSEFHNNJ-QKMQQOOLSA-N 329.356 2.221 0 1 EEAF CC(=O)NC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587752216 DESFRTURDDUQPQ-RMLUDKJBSA-N 329.213 2.474 0 1 EEAF O=C1C[C@H](c2nc3cncnc3[nH]2)CN1Cc1ccc(F)cc1F 587151413 ZIJZWSKAUZTBBL-JTQLQIEISA-N 329.310 2.147 0 1 EEAF O=C(OCc1ccco1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 13492628 JWLCOGXPTWMMDY-UHFFFAOYSA-N 344.714 2.119 0 1 EEAF CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(O)cc2C1=O 13781498 XJRDHPKTMGWJGN-UHFFFAOYSA-N 329.356 2.119 0 1 EEAF COc1ccc(C[C@@H]2C(=O)c3c(O)c(C)c(O)c(C)c3O[C@H]2O)cc1 14811090 PLNGZQZXHIURST-BFUOFWGJSA-N 344.363 2.476 0 1 EEAF biogenic,in-vitro CNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 1857775001 AQXXDVOEHJACGB-UHFFFAOYSA-N 348.786 2.383 0 1 EEAF O=C(CCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O)NC1CCCCC1 101626678 YJQHVNSDJBEGAQ-UONOGXRCSA-N 338.835 2.343 0 3 EEAF COc1cc(N)c(Cl)cc1C(=O)NC1[C@H]2CC3CCN(C2)C[C@H]1C3 27756864 LHRDFDIUFJAUDZ-ZBOPCLFPSA-N 349.862 2.391 0 1 EEAF CSCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5 103268994 NPNYNQBJHKFRMK-WNRNVDISSA-N 347.436 2.093 0 1 EEAF COc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)c(OC)c1 102977211 QUZYEJUYJAWLOF-UHFFFAOYSA-N 339.351 2.051 0 1 EEAF CCOC(=O)c1noc2nc(C)n(Cc3ccc(F)cc3)c(=O)c12 21648679 PFHIBWJUWTUOMF-UHFFFAOYSA-N 331.303 2.057 0 1 EEAF N[S@](=O)(CCc1ccccc1)=N[C@@H](Cc1ccccc1)C(=O)O 29319862 CWFDCZCRHYGBEE-QMHKHESXSA-N 332.425 2.267 0 1 EEAF Nc1ccc2c(c1)[C@@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CC2 28823655 ASGIBDAQLLVVSZ-KRWDZBQOSA-N 327.428 2.117 0 1 EEAF C[C@H](O)CCCCC[C@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@H](O)O1 2356719438 YULTUTUKMKNZHP-LTHLMHMASA-N 340.372 2.060 0 1 EEAF CCC(CC)(CNC(=O)[C@H]1CCC(=O)NN1)c1ccc(Cl)cc1 618012341 BSFYAHOBINRRPI-CQSZACIVSA-N 337.851 2.297 0 1 EEAF CC(=O)Oc1ccccc1[C@@H]1CC(C)=NN1C(=O)CN1CCCC1 653735484 QNHDEBSXQZNBKQ-INIZCTEOSA-N 329.400 2.357 0 1 EEAF Cc1cc(Br)c2[nH]c([C@@H](N)CCCNC(N)=O)nc2c1 587260562 ZKCRZGHVDLXMMD-VIFPVBQESA-N 340.225 2.082 0 1 EEAF CC1=C(c2ccc3nc([C@@H]4CC(=O)OC4(C)C)[nH]c3c2)NNC(=O)C1 586911237 QUDGVAKKDKPUNI-NSHDSACASA-N 340.383 2.128 0 1 EEAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3c[nH]c(=N)[nH]c-3n2)cs1 587020234 JDHHLAPOBPWOLT-UHFFFAOYSA-N 347.404 2.111 0 1 EEAF CCc1c(-c2ccc(N(C)C)c(OC)c2)[nH]c(=O)c(C(=O)O)c1O 206157453 LJTJTCLWDQNCHC-UHFFFAOYSA-N 332.356 2.083 0 1 EEAF CN(C)c1ncnc(CNC(=O)[C@@H]2[C@H](c3ccc(F)cc3)C2(C)C)n1 1857757783 SFOJELKZLHFTKF-GJZGRUSLSA-N 343.406 2.133 0 1 EEAF C[C@]1(c2cccc(NC(=O)c3cn4ccccc4n3)c2)COCC(N)=N1 117498866 ZWMZTUXDXPWHKA-LJQANCHMSA-N 349.394 2.189 0 1 EEAF CC1(C)CN(C[C@@H](O)C(C)(C)C)C(=O)CN(C(=O)c2ccccc2)C1 105847914 ADYPVVAZRKCPRJ-MRXNPFEDSA-N 346.471 2.404 0 1 EEAF CC(C)C(=O)NCCNC[C@@H](O)COc1cccc2sccc12 29214960 VTDDDXJMCYDZMR-CYBMUJFWSA-N 336.457 2.003 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45c6cccc(OC)c6N(C)[C@@H]4[C@H]2C[C@H]1[C@@H]3[C@H]5O 2356560316 VJDUELIERLHSMS-ZICPRNEDSA-N 338.451 2.165 0 1 EEAF CCCCC[C@@H]1CCC[C@H](O)C[C@@H](O)C[C@H](O)CC=CC(=O)O1 2356788692 CIKXQDGRSUPQKJ-YLFCFFPRSA-N 328.449 2.472 0 1 EEAF COC(=O)[C@@H]1ON(Cc2ccccc2)[C@@H](c2ccco2)[C@H]1C(=O)OC 504352228 UCQXBVHHWBPBGT-OWCLPIDISA-N 345.351 2.099 0 1 EEAF biogenic Cc1ncc(C)n2nc(CCc3c[nH]c(-c4nccs4)n3)nc12 72315158 KGUZMBWKBRKOIL-UHFFFAOYSA-N 325.401 2.373 0 1 EEAF COc1ccc2nc(C)cc(-n3cc(CNC(=O)C4CC4)nn3)c2c1 71295075 WWMHTTUGRFVYPY-UHFFFAOYSA-N 337.383 2.159 0 1 EEAF COc1cc(O)c2c(O)c3c(cc2c1)C[C@](O)(CC(C)=O)CC3=O 13436846 GDQAGCPSDQTXTM-GOSISDBHSA-N 330.336 2.099 0 1 EEAF biogenic CNc1nc2cc3c(=O)[nH]cnc3c(CCNCC3CCCC3)c2[nH]1 95921405 IEHXPXUWCFKZTR-UHFFFAOYSA-N 340.431 2.163 0 1 EEAF in-vitro CC(C)C[C@H](NC(=O)Cc1cccs1)C(=O)SCC(=O)O 473133399 ZOHLMJUQNWLYCR-NSHDSACASA-N 329.443 2.166 0 1 EEAF Cc1ccccc1CN1C[C@H]2COC[C@@]2(CNC(=O)C2CCC2)C1 299842546 ROUTVNPWJNALQM-AZUAARDMSA-N 328.456 2.360 0 1 EEAF Cc1csc([C@](O)(Cc2nc3cnncc3[nH]2)C(F)(F)F)n1 587094372 QRSUXFCVIXEECJ-LLVKDONJSA-N 329.307 2.110 0 1 EEAF CC(=O)O[C@@H](C)C(=O)c1c(CO)oc2cc(Br)cnc12 587276285 LRKVXJBQGUHEHL-LURJTMIESA-N 342.145 2.217 0 1 EEAF C[C@H](CCC(=O)O)Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587962634 HTOSIGCNCCROIJ-CYBMUJFWSA-N 330.432 2.358 0 1 EEAF COC(=O)C[C@@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587393656 JXBKIZNPEXLLPI-GOSISDBHSA-N 326.352 2.396 0 1 EEAF N=c1nc(-c2ccc(Cl)cc2CO)[nH]c(=NCc2ccccc2)[nH]1 1857618571 AQZNOVKKFJXMPQ-UHFFFAOYSA-N 341.802 2.131 0 1 EEAF COc1ccccc1CN1CC[C@H](CO)N(C)c2ncccc2C1 2356313049 RVPLUQNAMAHZKD-QGZVFWFLSA-N 327.428 2.293 0 1 EEAF CC=C1CO[C@@]23C[C@H]1[C@H](CO)C(=O)N2CCc1c3[nH]c2ccccc12 2356384086 KXRVCBUVJNQYRH-GQIGUUNPSA-N 338.407 2.310 0 1 EEAF C[C@H](c1ccccc1F)n1cc(C(=O)NCCCn2ccnc2)nn1 4903164 RTVXTXYUNUCADF-CYBMUJFWSA-N 342.378 2.043 0 3 EEAF CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCCC[C@@H]1C 20574860 SMEAHVMPJQAUAF-JTQLQIEISA-N 328.434 2.371 0 1 EEAF O=C(c1ccsc1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 29057484 CMYOVYVCTUSGJN-UHFFFAOYSA-N 330.756 2.462 0 1 EEAF c1cc2c(cc1NC1=NCCN1)Cc1cc(NC3=NCCN3)ccc1-2 29132856 WDXHQTQUDVVWOS-UHFFFAOYSA-N 332.411 2.000 0 1 EEAF CNC(=O)[C@@]1(C)Cc2c(-c3ccc(NC(C)=O)cc3)ccnc2O1 61906908 XKMJANBWXCLGQH-GOSISDBHSA-N 325.368 2.147 0 3 EEAF NC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(N)c3)c2c1N 73219715 JUNUOUUZHDRSEL-UHFFFAOYSA-N 340.412 2.196 0 1 EEAF COc1c2c(cc3c1[C@H](OC)N1CC[C@@]34C=C[C@@H](OC)C[C@H]14)OCO2 14677515 PPHRXIAAESPDMQ-YOVKBJGQSA-N 345.395 2.370 0 1 EEAF biogenic Nc1ncc(-c2cc(N3CC4CC3C4)cc(N3CC4CC3C4)n2)cn1 221269648 NIMUPTKFXPVBNG-UHFFFAOYSA-N 334.427 2.318 0 1 EEAF CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCc3cccc(C)c3)n2)C1 82203497 NAJFYRKLZAALIS-QGZVFWFLSA-N 339.443 2.420 0 1 EEAF Cc1cc(-c2nc3[nH]c(=S)[nH]c(=O)n3n2)ccc1Br 96282949 KVEUPOJZRTUXSE-UHFFFAOYSA-N 338.190 2.213 0 1 EEAF COC(=O)c1cc2[nH]c(-c3cc(N)cc(C(=O)O)c3)nc2cc1OC 587248815 FOSKYANKXDJXOF-UHFFFAOYSA-N 341.323 2.306 0 1 EEAF CC(C)(C)OC(=O)N[C@H]1CCCc2cc3c(O)nc(O)nc3nc21 587552628 AVYNWLDTQIESIE-JTQLQIEISA-N 332.360 2.338 0 1 EEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@H]1OC(=O)[C@H]3C[C@@H](O)C[C@H]2[C@H]31 5641146 GFUMUSWDMNZQDZ-HLCOOKHSSA-N 346.379 2.223 0 1 EEAF in-man CCN(C1CC1)[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 1857644214 VMCJWMPPIQQWIZ-SJKOYZFVSA-N 336.386 2.317 0 1 EEAF COc1ccc(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)cc1 2356286458 WIYXNVHROQWUTD-OALUTQOASA-N 338.407 2.311 0 1 EEAF O[C@H](CCN1CCN(c2ccccn2)CC1)COc1ccccc1 29483637 BVCIVWYTVBBINQ-QGZVFWFLSA-N 327.428 2.034 0 1 EEAF COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](OC)C2=O 2356759031 BNRZDUDNTAQLFH-QZTJIDSGSA-N 346.335 2.446 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3c4c(ccc(C)c4C)[C@H](O)[C@@H]23)OC1=O 2356836990 LFVSQVHIKFDYFI-MXASKKJJSA-N 342.347 2.294 0 1 EEAF O=C(c1cccs1)N1CCN2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C1 4270733 ADUACBRHEFJMRQ-ZDUSSCGKSA-N 347.440 2.169 0 1 EEAF biogenic COc1ccc2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@H](O)C2=O 14728161 LUYYFWQYAWIGJJ-MSOLQXFVSA-N 330.336 2.390 0 1 EEAF biogenic CN(CCN1CCCCC1)C(=O)N1CCN(c2ccccc2)CC1 45506578 HQWYGWNOAALAQQ-UHFFFAOYSA-N 330.476 2.346 0 1 EEAF CC[C@H](C)CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 45356901 VRPWEWJHLIPHQM-BBRMVZONSA-N 344.459 2.014 0 1 EEAF COc1cc([C@@H](c2cnc(N)nc2N)C(C)C)cc(OC)c1OC 40567762 QOKSGFCNMMCDIW-AWEZNQCLSA-N 332.404 2.455 0 1 EEAF O=C(/C=C(/NNc1ncccc1[N+](=O)[O-])C(F)(F)F)C(F)(F)F 136245324 VYLHYIFFUWAAKZ-GQCTYLIASA-N 344.171 2.484 0 1 EEAF CC(C)n1cnc2c(Nc3cncnc3)nc(C(C)(C)CO)nc21 95593502 NGDQZHZQUZQYHB-UHFFFAOYSA-N 327.392 2.211 0 1 EEAF O=C(O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O 587946641 LWUQLVDIZHZZOJ-UHFFFAOYSA-N 343.314 2.036 0 1 EEAF COc1ccc(-c2ccc(C(=O)c3cc(=O)n(O)c(O)n3)cc2)cc1 1857612713 ZAFVVWAFOUEVRT-UHFFFAOYSA-N 338.319 2.093 0 1 EEAF CCOC(=O)[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=O 1534036 XXUGJIVIFONKQL-SECBINFHSA-N 330.167 2.084 0 1 EEAF CCCNC(=O)c1sc2nc(C)nc(N3CCOCC3)c2c1C 2452502 UNYSWZQHTBCPGH-UHFFFAOYSA-N 334.445 2.285 0 1 EEAF Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C[C@@H]1CCNC1 8581941 YJNVZAXZUDOAAI-SECBINFHSA-N 344.806 2.044 0 1 EEAF Cc1cc(C2=NNC(=O)Cc3cc4c(cc32)OCCO4)cc(C)c1N 29123993 DZHZMUQHYGYDSE-UHFFFAOYSA-N 337.379 2.082 0 1 EEAF COC(=O)c1ccc(N2CCN(C)CC2)cc1NCc1ccco1 28955648 ASJVRMMOPQBABY-UHFFFAOYSA-N 329.400 2.430 0 1 EEAF O=C(NCc1cccnc1)c1ccc2cc3n(c2c1)CCCNC3=O 73166492 LGGWWYULJHBMPH-UHFFFAOYSA-N 334.379 2.100 0 1 EEAF CC(=O)NCCNc1ncc(-c2ncc(C)o2)c(-c2ccco2)n1 82166256 RDCAJBRKLJRTSX-UHFFFAOYSA-N 327.344 2.248 0 1 EEAF CC(=O)N1[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3[C@@H]2[C@@H]1CO 95894231 PWKBDVMDCKLWIS-QYZOEREBSA-N 336.391 2.022 0 1 EEAF COC(=O)c1cc2[nH]c(CSC(C)(C)C(=O)O)nc2cc1OC 586959531 QBQIREZKUWPIAE-UHFFFAOYSA-N 338.385 2.455 0 1 EEAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cnnc(O)c3[nH]2)cs1 587020431 SEYCLINADUNEET-UHFFFAOYSA-N 348.388 2.453 0 1 EEAF Oc1nc(O)c2nc(-c3cccnc3NCc3ccccc3)[nH]c2n1 587230299 RWEQQLDEMTZHQY-UHFFFAOYSA-N 334.339 2.438 0 1 EEAF CCOC(=O)CCOCCCOCCc1nc2c(C)nccc2[nH]1 587567677 IUWXTBMFWQQESL-UHFFFAOYSA-N 335.404 2.185 0 1 EEAF CCOc1cccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)n1 963525035 LHMKLEPLWFANCP-GUYCJALGSA-N 328.368 2.183 0 1 EEAF CCN(CC)C(=O)N[C@H]1C=C2[C@H]3C=CC=C4NC=C(C[C@H]2N(C)C1)[C@@H]43 1772641819 RABVCMHYPLVKSO-OSGQAZFXSA-N 340.471 2.224 0 1 EEAF CCOc1ccc([C@@H]2C[C@@H](C3C(=O)N(C)C(=O)N(C)C3=O)N=N2)cc1 169689334 ZYGJXDBRGIWLED-STQMWFEESA-N 344.371 2.018 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3C4=C(CCC[C@@]4(C)CO)C[C@H]23)OC1=O 2356669697 KYSWLLSZOWOOGF-FYHWNKSOSA-N 346.379 2.141 0 1 EEAF O=C(C1CCSCC1)N1CC(=O)N2CCCc3ccccc3[C@@H]2C1 26173161 WZJYHSRYUFDPOX-KRWDZBQOSA-N 344.480 2.488 0 1 EEAF Cn1cc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c2ccccc21 64528050 NYNANQKQYVAHFV-UHFFFAOYSA-N 332.367 2.312 0 1 EEAF CC(=O)O[C@H]1C=CC=C(COC(=O)c2ccccc2)[C@H]1OC(C)=O 14489404 QKUQVZOCGPQPCS-DLBZAZTESA-N 330.336 2.203 0 1 EEAF biogenic CC(C)N1CCO[C@@H](COc2ccc(CN3CCOCC3)cc2)C1 40424302 OJRDGDTZXLGNHO-LJQANCHMSA-N 334.460 2.007 0 1 EEAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CN(C)C(=O)N1C 95565441 SDPWRDHIEFPFSD-LBPRGKRZSA-N 330.215 2.284 0 1 EEAF CN(C)c1ccc(C(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1 95599260 BLUMYHXEQNORMR-UHFFFAOYSA-N 337.423 2.284 0 3 EEAF COc1ncc(CN2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)cn1 299850806 BXPZBEIJDZBQPQ-SJLPKXTDSA-N 347.390 2.029 0 1 EEAF COc1cc2c3c(c1)O[C@]1(CC(=O)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587451296 HBKCDRLSCCHSBG-DJJJIMSYSA-N 338.315 2.353 0 1 EEAF CCO[C@@H](C)n1nccc1[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962909451 XIVXIHOBXURIIK-YNZJMPHRSA-N 333.363 2.266 0 1 EEAF CCN(CC)C(=O)c1cccc(N2CCc3nc(N)ncc3C2)c1 169710059 PKVUVWYYDGDERJ-UHFFFAOYSA-N 325.416 2.104 0 1 EEAF COc1ccc(C[C@@H](O)/C=C/C=C/C(=O)N2CCCC2)cc1OC 1857634394 VCCMGMXGQPXFSA-CBAMUGNMSA-N 331.412 2.342 0 1 EEAF COc1ccc(C2=NN(CC(=O)N3CCCCC3)C(=O)CC2)cc1 221022 ONHQMZFJNCTEAF-UHFFFAOYSA-N 329.400 2.034 0 1 EEAF COc1cc(OC)cc(N2CCC(c3cnc(N)nc3N)CC2)c1 29207679 XHGFNRYCLHOWGK-UHFFFAOYSA-N 329.404 2.042 0 1 EEAF CCCn1c(O[C@@H]2CC[C@@H](O)C2)nc2nc(C3CCCC3)[nH]c2c1=O 117405582 PNEYYIGJYQFLFP-CHWSQXEVSA-N 346.431 2.479 0 1 EEAF COc1ccc2c(c1O)-c1c(CO)c(CO)cc3c1[C@H](C2)N(C)CC3 238751353 OTFRAIWKAVQAEG-HNNXBMFYSA-N 341.407 2.138 0 1 EEAF CS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N)CC2 143190010 SLLDGNRMACWAFH-OALUTQOASA-N 344.480 2.336 0 1 EEAF COC(=O)[C@@H]1C[C@@]23C=CCN4C[C@@H]([C@@H]2C)[C@@]2(c5ccccc5N[C@H]12)[C@H]43 254111053 AXEOWLVNPZQDNZ-MOAUWLTFSA-N 336.435 2.418 0 1 EEAF NS(=O)(=O)c1ccc(CCc2nc3ccc(F)c(F)c3[nH]2)cc1 586930814 ZADRVXOFGVBKBI-UHFFFAOYSA-N 337.351 2.274 0 1 EEAF CCOC(=O)C[C@]1([C@H]2CCOC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454682 VXYZEJARSPBCJE-BBEJJTJUSA-N 346.379 2.171 0 1 EEAF O[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C1CCOCC1 586914340 ZWODOIPOQIKNOJ-ZETCQYMHSA-N 336.701 2.437 0 1 EEAF CCOC(=O)[C@@H]1Cc2cc3c(O)nc(O)nc3nc2-c2ccccc21 587559511 JPDCZRLRSAPDFV-GFCCVEGCSA-N 337.335 2.306 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)NCC2(C)C 587799427 XBTNASFTLRQWIM-AYVTZFPOSA-N 341.224 2.474 0 1 EEAF Cc1c(O)ccc2c1[C@H](c1nc3cccnc3s1)N[C@H](C(=O)O)C2 963475004 YNDCCVZTKKVBPL-SMDDNHRTSA-N 341.392 2.394 0 1 EEAF O=c1c2cnc(N3CCCCC3)[nH]c-2cn1-c1ccc2c(c1)OCO2 1857592368 XNXNMDXEKMMXTO-UHFFFAOYSA-N 338.367 2.384 0 1 EEAF O[C@H]1OC[C@@H](COc2cc(Cl)c(Cl)cc2Cl)O[C@@H]1O 1624610 JGIHPWVJUMJHHI-WIHYOSRFSA-N 329.563 2.078 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45C(=O)[C@@H]3[C@H]1C[C@H]2[C@@H]4N(C)c1c(OC)cccc15 2356378097 WCCNKCFWOIBUOQ-FLXMJTOZSA-N 336.435 2.373 0 1 EEAF O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCc1ccc(F)cc1 4927324 DJDOIVGMSALLOB-INIZCTEOSA-N 326.371 2.458 0 3 EEAF aggregator C[C@H]1CCCCN1CCCNC(=O)c1ccc2c(c1)NC(=O)CN2C 6920029 AOHQQAFGWOUTRF-AWEZNQCLSA-N 344.459 2.069 0 3 EEAF Cc1nc(NCc2cccc(-n3cncn3)c2)cc([C@H]2CCCNC2)n1 39551757 ADWOUEZUHQOIDE-INIZCTEOSA-N 349.442 2.445 0 1 EEAF NC1=N[C@H](c2ccccc2)NC(NCCCOc2ccccc2F)=N1 71294382 DPFQMBPZWLPCAF-INIZCTEOSA-N 341.390 2.157 0 1 EEAF C/C=C1\CO[C@@H](O)[C@H]2C(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C[C@@H]12 238784386 JQVUCRZIEKITEM-XCGDQKOXSA-N 338.407 2.352 0 1 EEAF C[C@@H](NC(=O)Cc1ccccc1C(=O)O)C1Nc2ccccc2N1 96929604 LLEPQBZGPYTRRD-LLVKDONJSA-N 325.368 2.296 0 1 EEAF CCN1CCC(n2cc(CN3CC[C@H]4SC=C[C@H]4C3)nn2)CC1 299845215 SLBOIEZSALKLLZ-WMLDXEAASA-N 333.505 2.386 0 1 EEAF NC[C@@H](C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1ccc(F)cc1 653726530 GTKRFHRWGZORCF-MRXNPFEDSA-N 325.343 2.348 0 1 EEAF Nc1nc(O)c2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2n1 586895312 WUXVMOXRUZZHSR-UHFFFAOYSA-N 333.351 2.467 0 1 EEAF O=C(NCC(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccccc1 587652174 MZDMXPBRRYJHPZ-UHFFFAOYSA-N 341.754 2.120 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1cnc(SC)nc1N)[C@@H](C2)C3=O 587449014 ACKWTXWOHJKZDT-XPTSAGLGSA-N 329.381 2.278 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nncn2C)N1 587752105 BRHWATALQJAOKS-JVXZTZIISA-N 325.185 2.340 0 1 EEAF O=C(NCC(=O)n1nc2cc1Oc1ccc(F)cc1-2)c1cccnc1 587873577 HVHBDWBMQIBVDX-UHFFFAOYSA-N 338.298 2.260 0 1 EEAF CN1CC[C@@]2(CC1=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582851 OGZGAYLZGNGDNI-LPHOPBHVSA-N 339.347 2.345 0 1 EEAF Cc1cc(Br)ccc1OCc1nc2c[nH]c(=N)[nH]c-2n1 586982051 ZCROTYLOTFRTSF-UHFFFAOYSA-N 334.177 2.367 0 1 EEAF O=C1C[C@@H]2C(=C3c4c2ccc(O)c4[C@@H](O)C[C@H]3O)c2cccc(O)c21 14724608 PBYZCDIEUANPBF-NZVBXONLSA-N 336.343 2.490 0 1 EEAF biogenic CC(C)NC(=O)c1cc2c(OC(=O)N3CCCC3)cccc2[n+](C)c1 1857537069 ANOJNPLUNLSFKR-UHFFFAOYSA-O 342.419 2.397 0 1 EEAF Cc1c(C(=O)O)sc2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c12 423040 NFTBIOPIBBTSPQ-UHFFFAOYSA-N 336.756 2.401 0 1 EEAF O=C1[C@@H]2[C@@H](c3ccccc3)N3CCCN3[C@H]2C(=O)N1c1ccccc1 104243913 GSTBIPUTOBWTEH-KZNAEPCWSA-N 333.391 2.222 0 1 EEAF Cc1ccc(CNCC2(O)CCN(C(=O)c3ccsc3)CC2)nc1 64549287 QVATVINPSQLQGF-UHFFFAOYSA-N 345.468 2.208 0 1 EEAF CN1C(=N)N(C)[C@H](Cc2c[nH]c3cc(Br)ccc23)C1=O 13371049 CLSCJOFOBRTBCX-GFCCVEGCSA-N 335.205 2.180 0 1 EEAF biogenic O=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cnccc2c1=O 49125895 STVHKOSRRHWCDH-UHFFFAOYSA-N 346.346 2.329 0 1 EEAF CC1=C2[C@@H](C[C@H]1O)[C@]1(C)C[C@@H](OC(=O)C(C)C)[C@H]3[C@@H](C1)C(=O)O[C@@H]23 238765636 JYUOABYKGYHODV-FMJWFNAKSA-N 334.412 2.223 0 1 EEAF O=C(Nc1cccnc1)[C@H]1CN(Cc2nccs2)C[C@H]2OCC[C@H]21 96041184 HDQSDMWHSHRZGO-SOUVJXGZSA-N 344.440 2.014 0 1 EEAF CS(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1 587251562 IVOCZXYVEYSIAE-UHFFFAOYSA-N 343.408 2.364 0 1 EEAF COC(=O)[C@H]1COCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529993 AGHWTICXVDPEGK-DNVCBOLYSA-N 330.380 2.479 0 1 EEAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccn(C)n1)[C@@H](C2)C3=O 587430787 HAUZSMUIJLFVKU-DIVWQOPOSA-N 339.395 2.147 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nn2)N1 587761742 VMMTWNNBBAYZSH-CPFSXVBKSA-N 325.185 2.340 0 1 EEAF COC(=O)c1ccnc2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc12 587022305 XSOIYKSJRMGNIV-UHFFFAOYSA-N 340.368 2.269 0 1 EEAF O=C(O)c1cc(=O)c2c3c(ccc2[nH]1)S(=O)(=O)c1ccc(F)cc1-3 169319962 OEFGSOYHZGNXSW-UHFFFAOYSA-N 345.307 2.179 0 1 EEAF CCNC(=O)c1ccc(OCc2conc2[C@H]2CC[C@H](F)CN2)nc1 169685456 BNWULAPQCJYZBN-UONOGXRCSA-N 348.378 2.161 0 1 EEAF COCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(OC)cc2)C1 4399837 ALXVMQQNQXFTQC-AWEZNQCLSA-N 349.431 2.092 0 3 EEAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2cccnc2)CC[C@]1(C)O 2356288928 MUPNFNCDYLAJBM-ZCNNSNEGSA-N 339.439 2.284 0 1 EEAF CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@H]1c1cccc(O)c1 101138386 OMSRYHNFLGTMAD-AWEZNQCLSA-N 334.397 2.007 0 1 EEAF O=C(NC/C=C/c1cnc2ncccn12)c1cc(Br)c[nH]1 103298094 DXZPXHNBDVDWRH-HNQUOIGGSA-N 346.188 2.263 0 1 EEAF COC1=C(O)Cc2oc(-c3ccc(OC)cc3)c(OC)c(=O)c2[C@@H]1O 111958886 QQLSQGGLMCHYTK-AWEZNQCLSA-N 346.335 2.330 0 1 EEAF O=C(O)c1cn2c3c([nH]c(=O)c2n1)-c1ccccc1[C@H]3n1cccc1 28225421 SEZGYYXXLBFPSQ-CQSZACIVSA-N 332.319 2.140 0 1 EEAF CN(C)CCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21 28569965 DASNWFHQAZOALZ-UHFFFAOYSA-N 335.411 2.289 0 1 EEAF Cc1nc2c(N3CCOCC3)nccn2c1-c1cnn(CC(C)C)c1 147781421 SHZBBHMGMXJFNW-UHFFFAOYSA-N 340.431 2.394 0 1 EEAF C/C=C\[C@@H]1Oc2ccc(OC)cc2N2C(=O)[C@H](C)[C@H](OCOC)[C@@H]12 299813990 BSKPAPARTCMSGM-VMWJEKSGSA-N 333.384 2.373 0 1 EEAF Cc1csc([C@](O)(Cc2nc3ccnc(O)c3[nH]2)C(F)(F)F)n1 587095188 YXKGZCFSMWRFQP-GFCCVEGCSA-N 344.318 2.421 0 1 EEAF CS(=O)(=O)/C=C/c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586922756 CBEAFHBGVWTXOM-NSCUHMNNSA-N 345.174 2.039 0 1 EEAF CC1(C)OC(=O)C(c2nc3ccc(F)c(Br)c3[nH]2)=C1N 587254964 AIKCFGPEAKXRDK-UHFFFAOYSA-N 340.152 2.470 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2csc(-c3cncnc3N)n2)cc1 587924065 BVKACONXWVBODP-UHFFFAOYSA-N 347.425 2.221 0 1 EEAF CCCCOC(=O)C[C@]1(C)NCCc2ccc(C(=O)N(C)C)cc21 962930768 YZWXHTPXDSVTTF-IBGZPJMESA-N 332.444 2.483 0 1 EEAF O=C1[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@H]2C(=O)N1c1ccccc1-c1ccccc1 13153933 DLLDGCMBIXQKEZ-OOSNJVJTSA-N 347.370 2.159 0 1 EEAF C[C@]1(c2cc(N[C@H]3CCCOC3)ccc2F)N=C(N)COC[C@@H]1F 169702880 JPKWXEFYYHRRRJ-YLQAJVPDSA-N 339.386 2.357 0 1 EEAF C[C@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@H]23)cc1 203619134 FJHKZEVPGYADEG-JQFCIGGWSA-N 327.428 2.410 0 1 EEAF O=C(CN1CCC(c2cccc[n+]2[O-])CC1)Nc1cccc(F)c1 28604406 RRYPAIGRVJFTQE-UHFFFAOYSA-N 329.375 2.277 0 1 EEAF Cn1c(O)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12 100489567 UMYJEVFBCKZRCF-UHFFFAOYSA-N 341.392 2.370 0 3 EEAF C[C@H](CO)Nc1nc(SCc2ccco2)nc2[nH]c(=O)sc12 29129027 JPKFBTRMHVXMHW-SSDOTTSWSA-N 338.414 2.058 0 1 EEAF CCOC(=O)[C@@H](NC(=O)C(=O)c1c[nH]c2ccc(OC)cc12)C(C)C 27556446 RFSNXVJEPPHZQX-HNNXBMFYSA-N 346.383 2.063 0 1 EEAF O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@H](O)C[C@@H](c2ccco2)N1C3 2356522304 CMYSMCWWICFNSV-LTAJLKHCSA-N 330.428 2.177 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45c6ccc(OC)cc6N(C)[C@@H]4[C@H]2C[C@H]1[C@H]3[C@H]5O 2356781840 JNJWVFXAUHZWHI-QILLPVKHSA-N 338.451 2.165 0 1 EEAF CNC(=O)[C@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 44459663 JDHLLFQRUKERKO-OAHLLOKOSA-N 346.770 2.194 0 1 EEAF COc1ccc(C2=NNC(=O)C[C@@H]2C)c2[nH]c(C(F)(F)F)nc12 82150536 LEPWMRXBYJXALY-LURJTMIESA-N 326.278 2.450 0 1 EEAF CC[C@@H]1C(=O)N2C=CSC2=[N+](Cc2cc(OC)cc(OC)c2)C1=O 40554788 JKEFYKWGQWOGHX-CQSZACIVSA-N 347.416 2.185 0 1 EEAF O=C(CNc1nc(-c2ccc(O)cc2)cs1)NC[C@@H]1CCCO1 82193686 RBZNBIRSDILWBR-ZDUSSCGKSA-N 333.413 2.223 0 1 EEAF COC(=O)[C@@H]1[C@H](C)CC[C@]12NC[C@@H]1CC(=O)N(C)c3cccc2c31 963026985 PVEMMHAAWDPGGL-XHUIJJHTSA-N 328.412 2.154 0 1 EEAF C[C@H]1CCCC[C@H]1NC(=O)Cn1ncn2c(cc3sccc32)c1=O 5108377 ACXICIKZWMFVMH-NWDGAFQWSA-N 344.440 2.406 0 1 EEAF CCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 16040405 LZQUOHVRAKCMKJ-OAHLLOKOSA-N 325.412 2.409 0 1 EEAF biogenic Nc1ncc2c(n1)CCN(c1ccnc(C(=O)Nc3ccccc3)c1)C2 169710060 IAUDKVQWABOEMV-UHFFFAOYSA-N 346.394 2.269 0 1 EEAF N=c1c(C(N)=O)c[nH]c2c(-c3ccc4nc(O)[nH]c4c3)cc(F)cc12 1857546797 GPDAFCOKHLDLQZ-UHFFFAOYSA-N 337.314 2.134 0 1 EEAF COCCNC(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1 4898820 SQBYOKKXELTDOM-UHFFFAOYSA-N 342.424 2.480 0 3 EEAF CCCCCN1NN=N/C1=C1\N=c2cc3ccccc3cc2=NC1=O 100608756 JLFMGLAFICRAIY-WUKNDPDISA-N 334.383 2.166 0 3 EEAF CC1(C)[C@@H](n2cnc3ccccc3c2=O)CC[C@@H]2[C@@H](O)CCCN21 26574214 SKLQLEDKUDHMAK-IKGGRYGDSA-N 327.428 2.335 0 1 EEAF COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCNCC2)cc1OC 28653884 HNDXSQDAAHOVRN-QZTJIDSGSA-N 348.487 2.479 0 1 EEAF CC(C)[C@@H]1Cn2c(c(NCc3ccoc3)c(=O)n(C(C)C)c2=O)N1 82206270 NAAJKPKMFQWVHG-ZDUSSCGKSA-N 332.404 2.246 0 1 EEAF CCOC(=O)N1CCC(Nc2nc(N3CCCC3)ncc2C)CC1 82202695 OFACXURKAJKZSA-UHFFFAOYSA-N 333.436 2.418 0 1 EEAF CSc1cc(/C=C/c2ccc(OS(=O)(=O)O)cc2)nc(N)n1 96914144 WNARFTUZLNSIEP-GORDUTHDSA-N 339.398 2.133 0 1 EEAF C=CS(=O)(=O)N1CC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 618016842 BRCHCAMUOQLWPJ-JTQLQIEISA-N 348.346 2.439 0 1 EEAF NC1CC(Cc2nc3ccc(I)cc3[nH]2)C1 587255419 NUODWSILZOZOJI-UHFFFAOYSA-N 327.169 2.447 0 1 EEAF O=C([C@H]1CN2CCC[C@H]2CO1)n1nc2cc1Oc1ccc(F)cc1-2 587874817 CRZYLTLBTMNCGO-XHDPSFHLSA-N 329.331 2.298 0 1 EEAF Cc1cnc(Cl)nc1[C@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962901648 RMJJGWVSWKAFRX-MEDUHNTESA-N 335.766 2.440 0 1 EEAF COc1ccc2c(c1OC)[C@]1(CCN(C)C[C@H]1CCO)N(C)[C@H](C)C2 962641636 SYSJAVWRLFBTHW-AKCHCHLHSA-N 348.487 2.110 0 1 EEAF CC(=O)O[C@@H]1c2cc3ccc(=O)oc3cc2O[C@@H]1C(C)(C)OC(C)=O 13461185 MPSHHPOBEKGMGA-SJORKVTESA-N 346.335 2.500 0 1 EEAF biogenic COc1ccccc1OCCCNC[C@@H](O)COc1ccccc1 169328080 LXIBJWCLTBUHKI-MRXNPFEDSA-N 331.412 2.494 0 1 EEAF CCCCCn1nnnc1[C@]1(C)CSCC(=O)N1Cc1ccco1 203465395 PUBCLULJBWEDGO-INIZCTEOSA-N 349.460 2.447 0 3 EEAF O=C(N1CCOCC1)N1CCN(c2ccc3ccccc3c2)CC1 103230860 JUIOJWDMXYVVTL-UHFFFAOYSA-N 325.412 2.414 0 1 EEAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(F)cc2)C(=O)O1 40379228 DPLMTLZKPLCJAP-RUEYPURISA-N 336.359 2.476 0 1 EEAF COC(=O)C(C)(C)CNC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 238764458 IKSLTVIKSXYLON-YDFGWWAZSA-N 331.368 2.300 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccnc(OC)c2[nH]1 587229795 CCPWYTALMUJTHQ-NEPJUHHUSA-N 332.404 2.003 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1cnn(C)c1)[C@@H](C2)C3=O 587430815 HJJWTGSKXKRPLD-KPZWWZAWSA-N 336.351 2.308 0 1 EEAF COCCNC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660168 OLEIPACURXXFAO-UHFFFAOYSA-N 341.342 2.407 0 1 EEAF N=C(N)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 586924690 UDJJOXGJTZPLSN-HJWRWDBZSA-N 326.381 2.292 0 1 EEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)cncc3[nH]2)c1 586935965 LHRVKOMGRRZWMY-UHFFFAOYSA-N 339.808 2.293 0 1 EEAF C=C1Nn2c(nc(C)c2[C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)S1 962903164 UDDQFPGTBPSQOS-AAEUAGOBSA-N 346.387 2.139 0 1 EEAF CCN(C(=O)c1ccc(-c2cnn(C)c2)c(F)c1)[C@@H]1CCN(C#N)C1 1857563154 OGQFBZBTRWAMFW-OAHLLOKOSA-N 341.390 2.244 0 1 EEAF N[C@H](C(=O)N1Cc2ccccc2C1)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 101154608 GEMKNHBZBCPKAL-VWOHTBMISA-N 326.440 2.187 0 1 EEAF NC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Cl)c1 114345946 VXICAQQGSOIIMS-AWEZNQCLSA-N 341.802 2.494 0 1 EEAF CCCCOc1ccnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 27654428 IWQPJAADIUVKSH-UHFFFAOYSA-N 339.395 2.322 0 1 EEAF CC(=O)[C@H]1[C@H](O)C(=O)N(c2ccc(C(=O)O)cc2)[C@H]1c1ccccc1 64436764 CBTBGCPAOMXRGA-IKGGRYGDSA-N 339.347 2.039 0 1 EEAF COC1=C(C)C(=O)OC1=C(O)[C@H](C)[C@H]1[C@@H]2CCCN2CCC[C@H]1O 2356787808 VTPSFGZNDASQAV-CABNGKKXSA-N 337.416 2.105 0 1 EEAF OC1=C(CN2CCOCC2)C=C2C=C3CCCN4CCCC(=C2O1)[C@@H]34 2356822944 GHGQNNRSRODJDN-GOSISDBHSA-N 342.439 2.497 0 1 EEAF CCOC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2 28826605 JKMGFMMJBBZMJM-UHFFFAOYSA-N 332.331 2.166 0 1 EEAF CCOC(=O)CN1C(=O)[C@]2(OCCC=C[C@H]2C)c2cc(OC)ccc21 36381902 PUHXFSJYOSMLPZ-BFUOFWGJSA-N 345.395 2.413 0 3 EEAF CN1C(=O)OC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 43199813 ONNLHBQOUYFFMZ-SECBINFHSA-N 336.697 2.426 0 1 EEAF NC(=O)c1cccc(-c2ccccc2C(=O)NCC2CCNCC2)c1 49109673 PLBISGMTQILRDV-UHFFFAOYSA-N 337.423 2.182 0 1 EEAF CC[C@H](c1nnnn1-c1c(C)cccc1C)N1CCN(CC)CC1 199217446 BUCTUHHQFWILDB-MRXNPFEDSA-N 328.464 2.368 0 3 EEAF O=C(N[C@H](Cc1ccccc1)C1CC(O)C1)c1n[nH]c2c1CCC2 230596345 JRNPIMFHBKMXIS-MQBCKMQZSA-N 325.412 2.010 0 1 EEAF O=C(NC[C@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)nc12 143337671 BMCFZLVWAMXZEH-NSHDSACASA-N 341.440 2.416 0 1 EEAF COc1ccc(-n2cc(-c3ccc4c(O)nc(O)nc4n3)cn2)cc1 587557522 JEEQDUSJMVVIOF-UHFFFAOYSA-N 335.323 2.297 0 1 EEAF O=C(O)C(=O)CC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605109 XJDJYSLHBGKWBM-UKRRQHHQSA-N 342.303 2.156 0 1 EEAF Nc1ccnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 586966415 DDEKLLBVWCIGCX-UHFFFAOYSA-N 325.357 2.277 0 1 EEAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccnc3[nH]2)s1 587024427 ZOBVBZDLAZGYMR-UHFFFAOYSA-N 332.389 2.747 0 1 EEAF CN(Cc1nc2cc(F)c(F)cc2[nH]1)S(=O)(=O)c1cccnc1 586929525 XDOYTCMEFYRFIX-UHFFFAOYSA-N 338.339 2.057 0 1 EEAF O=C([C@H]1CN2CCC[C@@H]2CO1)n1nc2cc1Oc1ccc(F)cc1-2 587874815 CRZYLTLBTMNCGO-IAQYHMDHSA-N 329.331 2.298 0 1 EEAF CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 12377525 DBQNEWHUHBLPIW-NHCYSSNCSA-N 336.697 2.150 0 1 EEAF COc1cc(O)cc2c1C(=O)O[C@@H](C)C/C=C\[C@@H](O)[C@@H](O)CC/C=C/2 169727616 DHJLJFUHCPWDSW-DKEMVWPTSA-N 348.395 2.421 0 1 EEAF COc1ccccc1-c1cccc(Oc2cc(=O)n(O)c(=O)n2C)c1 1857589019 YMVHVXKRHMOFTO-UHFFFAOYSA-N 340.335 2.252 0 1 EEAF COc1ccc2cc([C@@H](C)C(=O)NN3C(=O)CCC3=O)ccc2c1 1857651391 VASYFZOESRJRPL-LLVKDONJSA-N 326.352 2.132 0 1 EEAF O=C1CC(C[C@H](O)[C@@H]2CCCC[C@@H]2O)CC(=O)N1Cc1ccccc1 1616372 UBXPBIRQRWKPMB-SQNIBIBYSA-N 345.439 2.254 0 1 EEAF CN(C)C[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356308520 YSOUPDHCLCMXHM-JZXOWHBKSA-N 334.391 2.493 0 1 EEAF CC=C(C)C(=O)O[C@@H]1CCN2C[C@H]3C[C@@H](C(=O)N4CCCC[C@H]34)[C@H]2C1 2356520028 WSSVDOWLXBYLHU-DUQPFJRNSA-N 346.471 2.360 0 1 EEAF COc1ccc(-c2cc(C)c(NCCN3CCOCC3)nn2)cc1 27620994 NQIUNIFYLMJSOR-UHFFFAOYSA-N 328.416 2.205 0 1 EEAF C[C@]1(CO)C[C@H](O)C[C@]2(C)C3=C(CC[C@H]12)C[C@]1(C)[C@H](O)CO[C@H]1C3 15194428 PUSLFKCUWMTXFL-GOCXHHSHSA-N 336.472 2.412 0 1 EEAF biogenic O=S1(=O)C=C(c2ccc(C(F)(F)F)cc2)S(=O)(=O)CCC1 33997536 VENRWZBPRPLZPB-UHFFFAOYSA-N 340.344 2.237 0 1 EEAF O=C(/N=c1\sccn1Cc1ccc(Cl)nc1)c1cnccn1 40954167 JZVDFKIEMGFAIS-RGEXLXHISA-N 331.788 2.177 0 1 EEAF Cc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)s1 96057573 ZUXACVYQLLDWBL-BZUAXINKSA-N 336.457 2.342 0 1 EEAF O=C(NCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1cscn1 587027369 BURJMSFVUQITLN-UHFFFAOYSA-N 342.359 2.274 0 1 EEAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cnnc(O)c3[nH]2)C(F)(F)C1 587131881 FHQCQIDCXFFLGH-ZETCQYMHSA-N 341.318 2.028 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C(=O)O)n(C)c1)[C@@H](C2)C3=O 587431459 OUXXOXLVGIFPFJ-SGTLLEGYSA-N 327.336 2.395 0 1 EEAF CN1CCc2cn(C)nc2[C@@]12C[C@@H]1C[C@H]2CN1C(=O)OC(C)(C)C 963956613 ZCMYZSOKKBETPS-DEYYWGMASA-N 332.448 2.133 0 1 EEAF N[C@H](C(=O)N1CCc2ccccc21)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 101154649 IIKGPFWQNZDVEK-VWOHTBMISA-N 326.440 2.234 0 1 EEAF COCCNC(=O)c1[nH]c(C)c(C(=O)O[C@H]2C[C@@H]3CC[C@@H]2C3)c1C 101492825 FWRUVQJJRZNKPE-MCIONIFRSA-N 334.416 2.353 0 1 EEAF COc1ccc2c3c1O[C@H]1[C@@H](O)C(C)(C)C[C@H]4[C@@H](C2)N(C)CC[C@]314 27845446 IXRJVYCFCPTYKT-KWAUXISBSA-N 329.440 2.361 0 1 EEAF O=C1CO[C@@H]2CN(Cc3ccccc3F)C[C@@H]2N1c1ccccc1 2356742541 DGQDSHAKOJDZLF-ZWKOTPCHSA-N 326.371 2.442 0 1 EEAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)COCc2ccccc2)C1 61904142 MBWXYMCFSMYHIY-IBGZPJMESA-N 332.444 2.358 0 3 EEAF CC1(C)c2cc(CC(=O)c3ccc(O)cc3O)c(O)cc2O[C@H]1CO 210537504 GJERSYBIPOHITR-SFHVURJKSA-N 344.363 2.260 0 1 EEAF NC(=O)c1sc2nc(NC3CC3)nc(-c3cccnc3)c2c1N 73219711 SUVAWSCNSGXNTN-UHFFFAOYSA-N 326.385 2.009 0 1 EEAF C[C@H]1CCCN1c1nc(-c2cnc(N)nc2)cc(C2CCOCC2)n1 221269968 JAZSQIUOZOFYBR-LBPRGKRZSA-N 340.431 2.399 0 1 EEAF COc1ccc2c(c1)CN1CN(Cc3ccccc3)S(=O)(=O)C[C@H]21 96020157 DSIMAOCNIPUKRC-GOSISDBHSA-N 344.436 2.355 0 3 EEAF COc1ccc(N2C=C(c3ccccc3)[C@@H]3C(NN)=NC=N[C@H]32)cc1 98082679 DQOHQIHEAVWGFL-MJGOQNOKSA-N 333.395 2.402 0 1 EEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@H](O)[C@H]1[C@@H]2C[C@@H]2C[C@H]1C(=O)O2 257501091 OEIFXOHVCYVTGK-QXQPLCFSSA-N 346.379 2.223 0 1 EEAF endogenous,in-man Cn1cc(-c2n[nH]c3cc(NC(=O)NCC4CCC4)ncc23)cn1 261115650 IRFUVYBBPNCJHG-UHFFFAOYSA-N 325.376 2.280 0 1 EEAF Cc1cncc(C(=O)N2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@H]32)c1 299842887 JSSHMMDJCLGSEM-JFIYKMOQSA-N 339.395 2.236 0 1 EEAF CCCn1c(=O)c(F)cn(Cc2nc3ccccc3n2CCC)c1=O 653822858 WNQIFDMONOASTA-UHFFFAOYSA-N 344.390 2.367 0 1 EEAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(CCO)cc2[nH]1 586960952 DSHLBXNDCPBRFY-MRVPVSSYSA-N 331.401 2.029 0 1 EEAF COC(=O)c1cc2nc(-c3cccnc3N(C)C)[nH]c2cc1OC 587195084 AWZSGYAOYAEZOM-UHFFFAOYSA-N 326.356 2.486 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nncn2C)N1 587752107 BRHWATALQJAOKS-MADCSZMMSA-N 325.185 2.340 0 1 EEAF O=C(NCc1cccc(Cl)c1)[C@@]1(O)CCN(c2ccccc2)C1=O 147093636 SKXIQDLNTUFTMU-SFHVURJKSA-N 344.798 2.124 0 1 EEAF COc1ccc(S(=O)(=O)n2cc(CCN)c3ccccc32)cc1 14975919 OVZXCGMNEBKQBZ-UHFFFAOYSA-N 330.409 2.388 0 1 EEAF CCN(CC)C(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)cc1 27860975 SIKMXJBDVIIHKB-CQSZACIVSA-N 332.322 2.420 0 1 EEAF O=C(O)C(=Cc1ccc(O)cc1)[C@@H](C(=O)O)C(=O)c1ccc(O)cc1 2356464775 TUOXWFIJOOGTSU-OAHLLOKOSA-N 342.303 2.150 0 1 EEAF C[C@@H]1CC[C@]2(CO)C(CO)=CCC[C@H]2[C@@]1(C)CCC(=CCO)CO 2356616919 KZBUOBLJHGAMHA-TTYHFUOFSA-N 338.488 2.421 0 1 EEAF c1cncc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1 149682992 NVTIHTIPOLNIHA-LJQANCHMSA-N 339.439 2.224 0 1 EEAF CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)ncc1Cl 95554513 AMQCBROKDRYSQO-UHFFFAOYSA-N 347.806 2.388 0 1 EEAF O=C(CF)N[C@H]1CC[C@H](NC(=O)COc2ccc(Cl)cc2)CC1 621431745 DKEMXHYFIBZTDU-JOCQHMNTSA-N 342.798 2.232 0 1 EEAF CC[C@@H](C(=O)NCc1ccccc1C(F)(F)F)N1C(=O)CCC1=O 299863047 KLTPONQKWWMICG-LBPRGKRZSA-N 342.317 2.249 0 1 EEAF COC[C@]1(CC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796183 SJHZYYUYZIVYAN-RTHLEPHNSA-N 346.196 2.439 0 1 EEAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(F)cc41)[C@@H](C2)C3=O 587430218 ZKAWVHHRIAUGBF-SGTLLEGYSA-N 325.295 2.429 0 1 EEAF NS(=O)(=O)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1 587071131 WIYIPQLASQPWNZ-UHFFFAOYSA-N 349.799 2.289 0 1 EEAF C[C@@H]1O[C@H](SCCC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H](O)[C@@H]1O 141778075 HWVMUFHBNMDWTI-TZGACSODSA-N 342.501 2.154 0 1 EEAF O[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)C1CCOCC1 586914263 YPBBXUYDLOEYAX-SNVBAGLBSA-N 330.157 2.320 0 1 EEAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cnn(C)c1)[C@@H](C2)C3=O 587430812 HJHSFCJLSONENX-LBLGZAAXSA-N 339.395 2.147 0 1 EEAF COC(=O)CC1(O)CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587450017 LOQQNRPOUAMQCK-XYJCDUHRSA-N 346.379 2.050 0 1 EEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(Cl)ccc3[nH]2)c1 586936675 SYRDMWNEBXUTIN-UHFFFAOYSA-N 339.808 2.293 0 1 EEAF CCCS(=O)(=O)N1CCC(c2nc3cccc(OC)c3[nH]2)CC1 586951906 BDWOYNBIMLGFNY-UHFFFAOYSA-N 337.445 2.491 0 1 EEAF COC(=O)c1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587436598 SABIZXLWYHQIFV-PIGZYNQJSA-N 325.320 2.366 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)[C@@H]1CN(C)CC[C@]1(C)O 963611208 QJNSOQFPPIHMKS-YXHXOZEPSA-N 348.487 2.156 0 1 EEAF C[C@]1(c2ccc(O)c(CCO)c2)c2ccsc2CCN1C(N)=O 962693689 ATMKILWPORCCCQ-KRWDZBQOSA-N 332.425 2.189 0 1 EEAF O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)c1ccncc1 12130494 YYOXGYYXOYFSQW-HNNXBMFYSA-N 332.363 2.272 0 1 EEAF CCCc1ccc(C(=O)O)cc1CCn1cnc2c1NC=NC[C@@H]2O 13807587 BWBKHIOFXQRKTP-HNNXBMFYSA-N 342.399 2.264 0 1 EEAF COc1cc(CN(CCO)Cc2ccc(O)c(OC)c2)ccc1O 1857774868 JIVGMTNFGIBHNV-UHFFFAOYSA-N 333.384 2.110 0 1 EEAF COC(=O)[C@@]1(O)c2ccccc2[C@@]2(C)CCC[C@@](C)(C(=O)OC)[C@@H]21 2356478880 WPVIERSTJRJSID-UTRMSSBJSA-N 332.396 2.298 0 1 EEAF Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2[C@@H]1CCOC1 8581937 COAQRADEUYYCDG-SECBINFHSA-N 331.763 2.396 0 1 EEAF CNC(=O)[C@H]1CC=C[C@H]1n1cnc2c(NCc3ccccc3)ncnc21 29132324 KUVDTWVQJGRKFO-LSDHHAIUSA-N 348.410 2.302 0 1 EEAF CN(C)CCNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 72141099 ULNXOXUQTJHTPG-UHFFFAOYSA-N 326.322 2.387 0 3 EEAF CCCN(CCC)CCNc1n[n+](=O)c2c3c(ccc2n1O)CCC3 49014046 XFSNJBILRLZBKC-UHFFFAOYSA-N 346.455 2.211 0 1 EEAF C[C@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(CO)CCCC(C)(C)[C@H]1C[C@H]3O 238779719 SIHFLKYXQVXCGK-TZKJZBJJSA-N 336.472 2.148 0 1 EEAF C[C@H](CCCCCC/C=C/C(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 263614567 NEVPBIQTDNVVMK-HBIRGSMPSA-N 330.421 2.230 0 1 EEAF in-vitro CN(C)CCOc1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1 587029349 OOMHBPCTSIVIKN-CYBMUJFWSA-N 331.445 2.202 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@@H](O)[C@@H](C1)N2C 587489329 USOHRPJOUSHZDJ-AUYPQDBHSA-N 331.412 2.276 0 1 EEAF COC(=O)c1ccnc2[nH]c(CCOc3ccc(C=O)cc3)nc12 587566233 BMJYWEQCAXQCIO-UHFFFAOYSA-N 325.324 2.179 0 1 EEAF COC(=O)c1ccc2c(c1)N/C(=C/c1ccccc1C(=O)O)NC2=O 957725138 COCPDOXIONOTOZ-DHDCSXOGSA-N 338.319 2.325 0 1 EEAF CC(C)OC(=O)[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1 1772616804 BFYSHDJGPAAHAK-OAHLLOKOSA-N 325.430 2.323 0 1 EEAF CN(C(=O)c1cc(COc2ccc(F)c(F)c2)on1)[C@@H]1CCOC1 11718890 MUKJWSUFGUSWIY-SNVBAGLBSA-N 338.310 2.393 0 3 EEAF CCOCCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C 4930707 SZOSGAUWOIQKLZ-UHFFFAOYSA-N 327.384 2.176 0 1 EEAF CC(C)Nc1nc(-c2ccc([C@@H](C)O)nc2)cc2ncn(C)c(=O)c12 115625549 BLMKVPAWKVJSDF-LLVKDONJSA-N 339.399 2.264 0 1 EEAF CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)CNC(=O)c1ccccc1 2356762109 ZKFVQHMXDMZLIC-MSOLQXFVSA-N 343.471 2.139 0 1 EEAF COCCNC(=O)[C@]1(C)CCCN(Cc2ccc(Cl)nc2)C1 61904144 HRJLDAADZBVXOD-MRXNPFEDSA-N 325.840 2.100 0 3 EEAF O=c1[nH]c2nonc2[nH]c1=Nc1ccc(SC(F)(F)F)cc1 1911578926 AFOFBIXECMWXDN-UHFFFAOYSA-N 329.263 2.084 0 1 EEAF C[C@]1(O)CC[C@@]23[C@@H](CC[C@@H]4[C@]2(C)C[C@@H](O)C[C@@]4(C)CO)C[C@H]1[C@@H]3O 40422392 AKJUXPHPVJRSGJ-AYWFNIBGSA-N 338.488 2.084 0 1 EEAF CCCc1nc(C)c2c(NC(=O)NC)nc3ccc(OC)nc3n12 49052748 LEUKXOCBLWSMSV-UHFFFAOYSA-N 328.376 2.298 0 1 EEAF CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccccc1)C2 95668174 CLDAGFDIPIRHRX-VQTJNVASSA-N 336.435 2.248 0 1 EEAF O=C1NN=C(c2ccc(OCCCN3CCCCC3)cc2)[C@H]2C[C@@H]12 299863889 QBXAXCCPRGKAHT-DLBZAZTESA-N 327.428 2.411 0 1 EEAF O=S(=O)(O)c1ccc(SCCCCCCO)c2nonc12 299821035 JEYWCSJWNGSMCV-UHFFFAOYSA-N 332.403 2.114 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N)nc2)N1 587742806 BAEMYDSSZKKWCM-WPPNPWJKSA-N 337.196 2.584 0 1 EEAF CN1CCCOc2ccnc3nc(O)n(c23)-c2nc1ccc2Cl 1772658211 ZTQJPXGYCSWLIH-UHFFFAOYSA-N 331.763 2.393 0 1 EEAF CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cnsn2)C1 12449262 UOWBRWMOGYBYBQ-CQSZACIVSA-N 331.445 2.060 0 1 EEAF Nc1c(Cl)cc2c(c1C(=O)N[C@H]1CN3CCC1CC3)OCCCC2 13451320 AAFDSURDJZEZCZ-AWEZNQCLSA-N 349.862 2.461 0 1 EEAF O=C(Nc1ccc(F)cc1)[C@H]1C(=O)N[C@@H](CCc2ccccc2)C1=O 169727311 CUJTWRMMQPDVQF-HOTGVXAUSA-N 340.354 2.081 0 1 EEAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2nn[nH]n2)nc1 202739888 JLSAZHWPLHCLPU-UHFFFAOYSA-N 330.348 2.278 0 1 EEAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(=O)c1cnccn1)C2 2356292807 AJAUVHBBRWOCAT-CQSZACIVSA-N 338.367 2.156 0 1 EEAF CCn1c(=O)n(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100057194 MZRKHUUDDHJVHS-KBPBESRZSA-N 328.416 2.006 0 1 EEAF in-vitro COc1ccc(C(=O)c2cc(OC)c3c(c2OC)OCO3)cc1O 66138244 LREBJYZZPPSTBV-UHFFFAOYSA-N 332.308 2.378 0 1 EEAF C[C@H]1CCN(C(=O)CC2CC2)C[C@@H]1N(C)c1ncnc2[nH]ccc12 34028564 WCEMRCSQVJUUEL-WFASDCNBSA-N 327.432 2.431 0 1 EEAF O=c1[nH]c2ccccc2cc1-c1nc2c([nH]1)CCN(C1CCNCC1)C2 84587839 HQWRNVVREMOQBG-UHFFFAOYSA-N 349.438 2.028 0 1 EEAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCc1ccc(F)cc1 82203473 DCZCYSHRESNPBS-UHFFFAOYSA-N 343.406 2.238 0 1 EEAF Cc1noc(-c2ccc(N3C[C@H](Cn4cccn4)OC3=O)cc2)n1 96928829 GRIUBUMTCNSKIA-AWEZNQCLSA-N 325.328 2.267 0 1 EEAF CCOC(=O)C1=C(O)[C@@H]2[C@H]3C[C@@H]4[C@@H]5[C@H](C(C(=O)OCC)=C(O)[C@@H]42)[C@@H]1[C@H]53 263596889 GDMNLDOPKZZEJL-DJOQWLIWSA-N 346.379 2.125 0 1 EEAF COc1ccccc1CC(=O)c1nc2c(S)nc(S)nc2[nH]1 587929173 GSHVEFIBILLTMB-UHFFFAOYSA-N 332.410 2.364 0 1 EEAF C[C@@H]1Cc2ccc(OC(=O)c3ccc(NC(=N)N)cc3)cc2OC1=O 1772622658 PIPIFEBBKGIHAC-SNVBAGLBSA-N 339.351 2.309 0 1 EEAF Cc1cc2c(c(C)c1C(=O)N(C)C)S(=O)(=O)c1ccccc1C2=O 13606030 NZSFVQVIAKNYHK-UHFFFAOYSA-N 343.404 2.382 0 1 EEAF CC(C)[C@](C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O 150051725 RJKNERRIOBQEOD-IBGZPJMESA-N 345.443 2.378 0 1 EEAF COC(=O)[C@H]1CCCN(C(=O)Cn2cc(C(C)=O)c3ccccc32)C1 1857644203 SJZMJWUUGMTSTA-AWEZNQCLSA-N 342.395 2.256 0 1 EEAF COCCN1C(=O)[C@H]2C[C@@H](CN2C2CCCC2)Oc2ccccc21 2356298905 JFRBPEQXCHQAAJ-DOTOQJQBSA-N 330.428 2.444 0 1 EEAF CN(Cc1ccccc1)C(=O)Cn1c(=O)c2cccn2c2cccnc21 6797094 VFUOHUYVSAPQCJ-UHFFFAOYSA-N 346.390 2.308 0 3 EEAF COCc1cc(CN(C)[C@@H](C(=O)O)c2cc(C)c(OC)c(C)c2)n[nH]1 55211547 XGIXNVAHZHFPHU-MRXNPFEDSA-N 347.415 2.439 0 1 EEAF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@]3(C[C@]4(O)CO)[C@@H](O)C(=O)[C@H]12 101279233 DXKOYDRYFOHLGA-DOJQOKQASA-N 336.472 2.292 0 1 EEAF O=C(OC1C[C@H]2CC3C[C@H](C1)N2C[C@@H]3O)c1c[nH]c2ccccc12 101104712 MLWGAEVSWJXOQJ-KSKFVNPGSA-N 326.396 2.311 0 1 EEAF in-vivo O=C(NCc1cccc(C(=O)O)c1)NCc1cccc(C(=O)O)c1 103246191 OHAXLGXLLSYZIM-UHFFFAOYSA-N 328.324 2.082 0 1 EEAF CNC(=O)[C@@H]1CC=C[C@H]1n1cnc2c(NC3CCCC3)ncnc21 29132412 MHRPRPHKSUIYOS-CHWSQXEVSA-N 326.404 2.044 0 1 EEAF Cc1ccc(N2CCN(S(=O)(=O)c3c(C)n[nH]c3C)C[C@H]2C)cc1 20181856 ZEFIJKOXRYPFSR-CYBMUJFWSA-N 348.472 2.234 0 1 EEAF CN(C)c1nc(-c2c[nH]c3ccc(Br)cc23)oc(=O)n1 2356801225 QNDRFUQLGHRMDT-UHFFFAOYSA-N 335.161 2.407 0 1 EEAF COC(=O)[C@H]1CC2=C(CN1Cc1ccc(OC)cc1)N(C(C)C)[CH]N2 2356820222 UHAROMDUXQQQQR-QGZVFWFLSA-N 344.435 2.087 0 1 EEAF Cc1ncc(C)n2nc(CCc3c[nH]c(-c4cncs4)n3)nc12 148071974 ZSKBVNUGGHGCRV-UHFFFAOYSA-N 325.401 2.373 0 1 EEAF CC[C@H](C)[C@@H](CO)NC(=O)/C=C\[C@](C)(O)[C@@H]1O[C@H](CC)C[C@@H]1C 238746547 AKQLFHXLRLKXAB-KVYQHXMOSA-N 327.465 2.020 0 1 EEAF CCn1c(=O)c2c(nc(CCc3ccccc3)n2CC)n(CC)c1=O 473089687 SNLLZIRPVDAGCU-UHFFFAOYSA-N 340.427 2.205 0 1 EEAF C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC(=O)[C@H]2C/C=C1\CCOC1=O 299861015 HLAHWWXOCUKRHM-VHMLWWRMSA-N 336.428 2.005 0 1 EEAF Cc1nc(CN2C[C@H]3CCCO[C@@H]3[C@H](NC(=O)CC3CC3)C2)cs1 299842579 TWIDKPQXBRRXFN-KYJSFNMBSA-N 349.500 2.347 0 1 EEAF N[C@H](N=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 587128278 KMICEDLUAKJFPG-GFCCVEGCSA-N 344.285 2.329 0 1 EEAF N=c1[nH]c2nc([C@H](CN)Cc3ccc(Cl)cc3)nc-2c(Cl)[nH]1 587071283 ZDEOQRZZVUZGAN-QMMMGPOBSA-N 337.214 2.309 0 1 EEAF CC(=O)OC[C@@H]1Cc2c[nH]c3cccc(c23)N(C)[C@H](C(C)C)C(=O)N1 14516958 WJBVMJYASZWGBL-KBXCAEBGSA-N 343.427 2.233 0 1 EEAF biogenic COc1c(O)cc2c(c1O)[C@H]1Oc3cc4c(cc3[C@H]1CO2)OCO4 14648561 PCVFSIAOIHIYNK-BCTVWOGZSA-N 330.292 2.445 0 1 EEAF endogenous,in-man O=Cc1cccc2c1C1C(OC2=O)C2c3c(C=O)cccc3C(=O)OC12 1857587037 WSKZFWQFMFAZGV-UHFFFAOYSA-N 348.310 2.271 0 1 EEAF NS(=O)(=O)Oc1ccc2c(c1)C(=O)C[C@@H](C1CCCCC1)O2 13491345 WKIWUSGIWISWKH-HNNXBMFYSA-N 325.386 2.183 0 1 EEAF COc1cccc([C@@]2(O)c3c(ccc(O)c3OC)[C@H]2OC)c1OC 1624596 PHUOAQQAHCHIFN-QZTJIDSGSA-N 332.352 2.355 0 1 EEAF Cc1cc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)on1 3986862 DRXNKVLCADIDHI-LBPRGKRZSA-N 343.318 2.406 0 1 EEAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N[C@H](CO)[C@@H](C)CC 4153865 VQKYQBBROCBSSB-ZBQZNYHESA-N 348.443 2.349 0 1 EEAF C[C@]1(CO)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@]13CC[C@H](C[C@H]12)[C@@](O)(CO)C3 2356382945 SYLBWUCYLWBMER-SGAVXLCJSA-N 336.472 2.294 0 1 EEAF COc1ccc(-c2noc([C@@H]3C[C@@H](NCC4CC4)CN3C)n2)cc1 2356393990 ZQYBPSUZVZFTRX-ZBFHGGJFSA-N 328.416 2.490 0 1 EEAF C/C=C/[C@@H]1Oc2ccc(OC)cc2N2C(=O)[C@@H](C)[C@@H](OCOC)[C@@H]12 7992276 BSKPAPARTCMSGM-LUHMSQPMSA-N 333.384 2.373 0 1 EEAF CCO[C@H](C)C=CC=C[C@H](O)CCC=CC(=O)NCC(C)(C)O 2356284655 OZMRSUOXUTZPNR-CVEARBPZSA-N 325.449 2.108 0 1 EEAF NCCCC(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O 103178669 WRXQUJCYZPVKDI-SOFGYWHQSA-N 329.356 2.315 0 1 EEAF CC(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 2356305740 CCXMQCBRHKALKY-VXGBXAGGSA-N 333.363 2.204 0 1 EEAF C[C@]1(CO)[C@H](O)CC[C@]2(C)[C@H]1CCC1=C[C@H]3C[C@@]12CC[C@@]3(O)CO 2356325413 OKMFPXZJFUMMEY-SLLBGGHUSA-N 336.472 2.006 0 1 EEAF O=C(CCNC[C@@H](O)COc1ccccc1)Oc1ccc(F)cc1 29210592 CBPSVHMKJWJJAY-OAHLLOKOSA-N 333.359 2.151 0 1 EEAF COc1ccc(C(=O)c2cc3c(c(OC)c2OC)OCO3)cc1O 66138245 UYOGBKPVMLLXPE-UHFFFAOYSA-N 332.308 2.378 0 1 EEAF CN1C(=O)[C@](c2ccsc2)(c2cccc(-c3cnccn3)c2)N=C1N 72179415 NXXHXFSKVSTXAG-GOSISDBHSA-N 349.419 2.235 0 1 EEAF Cn1cc(NC(=O)c2ccccc2)cc1C(=O)NCCN1CCCC1 43073871 ISYWLUSZGMWQQJ-UHFFFAOYSA-N 340.427 2.103 0 1 EEAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1csc(N)n1)CC2=O 587495821 URNCWXAHZRSOGI-MRXNPFEDSA-N 348.380 2.329 0 1 EEAF Cc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1C 587560292 FFDNKGGRMFUMSN-UHFFFAOYSA-N 325.324 2.347 0 1 EEAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(CCO)cc3[nH]1)C2 587247835 ZPNYJUDFDZOGKC-FQEVSTJZSA-N 337.423 2.449 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccncn1 587867926 RDFVXGYMAFXCTB-UHFFFAOYSA-N 349.272 2.451 0 1 EEAF CC(C)(C)C(=O)Nc1cccc(-c2nc3c(O)nc(O)nc3[nH]2)c1 587241515 DUSPSHVSXMKDRB-UHFFFAOYSA-N 327.344 2.416 0 1 EEAF C[C@H](c1nc(-c2ccc(F)cc2F)no1)[C@H](N)C(=O)N1CCCC1 14948443 AQAKUVAZSBURGF-ZANVPECISA-N 336.342 2.068 0 1 EEAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@@H]2NCc2cccc(OC)c2)cc1 2356415307 GZYWGPFFGYSCLN-VNTMZGSJSA-N 343.423 2.071 0 1 EEAF COc1ccc2[nH]c([S@@](=O)Cc3cc(N(C)C)c(F)cn3)nc2c1 4626772 PPQIOKMPJFYKGJ-XMMPIXPASA-N 348.403 2.479 0 1 EEAF O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)N1CCCC1 4907208 MYPRTYHUTNPMGA-UHFFFAOYSA-N 348.406 2.005 0 1 EEAF O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@@H]1CCNC2(CCC2)C1 52913599 JSEOESVFYKWYEF-LLVKDONJSA-N 339.798 2.209 0 1 EEAF C[C@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1 29125999 ONHBJGHVBNXFEV-VIFPVBQESA-N 326.381 2.482 0 1 EEAF CC[C@]12CCCN3C(=O)[C@H](O)[C@@H]4c5ccccc5N(C(=O)CC1)[C@]432 2356490434 IPLKUIIZTYHLIU-NBMJBFSESA-N 326.396 2.000 0 1 EEAF COc1cccc(CNC[C@@H]2COCc3nc4cc(F)ccc4n32)n1 2356540343 UZUFQYQYXPHSIA-CQSZACIVSA-N 342.374 2.440 0 1 EEAF Cn1c(CO[C@@H]2CN(C3CCOCC3)C[C@@H]2F)nc2ccccc21 2356670638 XHWZULODZRKBKX-WMLDXEAASA-N 333.407 2.291 0 1 EEAF C[C@@]1(CO)C(=O)CC[C@@]2(C)C(CCC3=CCOC3=O)=C(CO)CC[C@H]12 73276808 WDTSGKXPTCNVRZ-VDGAXYAQSA-N 348.439 2.317 0 1 EEAF COc1cc(C=O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@H]2CO 14649988 GDDOKXKOOVEGQY-SUMWQHHRSA-N 328.320 2.446 0 1 EEAF biogenic CC[C@@H]1CN2CC[C@]3(C(=O)Nc4cc(OC)ccc43)[C@@H]2C[C@@H]1CCO 14616177 VVOGXKLEHPHFES-ZQCAWNDQSA-N 344.455 2.388 0 1 EEAF biogenic COc1cc2c(cc1OC)[C@@]13C[C@H](OC)C(=O)C=C1CCN3CC2 15204024 GFSAAWPDCQHEAN-RBUKOAKNSA-N 329.396 2.075 0 1 EEAF biogenic C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1cccnc1 199213964 DMPZAPKGBFWDHG-IBGZPJMESA-N 348.410 2.154 0 3 EEAF Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1NC1CCC(C)CC1 82203523 ZNPJTCVITUBTFX-BLZCZZARSA-N 331.464 2.477 0 1 EEAF C[C@]12CCC(=O)[C@@](C)(CO)[C@@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO 40420835 PCKFULMONJBMIR-OMAJZLRHSA-N 336.472 2.294 0 1 EEAF CN(C)CCOc1cncc(-c2cncc(OCCN(C)C)c2)c1 474606157 HLXBLFRALJAWET-UHFFFAOYSA-N 330.432 2.024 0 1 EEAF O=C(O)c1ccnc(-c2cc(NC(=O)c3ccno3)ccc2O)c1 653717816 CHDXCVXKGSUDPW-UHFFFAOYSA-N 325.280 2.393 0 1 EEAF O=C1c2c(O)cc(O)cc2O[C@H]1Cc1ccc(N2CCOCC2)cc1 653725527 ASMYQQHCKYJMCD-KRWDZBQOSA-N 341.363 2.121 0 1 EEAF Nc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cn1 587085299 RJUHNYPYCLXPGP-UHFFFAOYSA-N 329.795 2.368 0 1 EEAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc(O)cc1)[C@@H](C2)C3=O 587453602 ZOIPJHKNFGCYSU-UGSOOPFHSA-N 326.304 2.128 0 1 EEAF Brc1c[nH]c2nc(Cc3csc4nccn34)nc-2n1 587039201 AYYGBUVYQLXHSJ-UHFFFAOYSA-N 335.190 2.367 0 1 EEAF CCOC(=O)[C@@H](C)[C@@]1(C(F)(F)F)NCCc2c(C(=O)O)cccc21 963120264 FUDJNXZZKDQDEY-RFAUZJTJSA-N 345.317 2.487 0 1 EEAF COc1ccc(OC)c([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c1 963521425 CCERNFFUFLFUAS-KBXCAEBGSA-N 343.379 2.406 0 1 EEAF CCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(OC)cc3)nc12 224262712 ZCTLZZNVDCBWGA-UHFFFAOYSA-N 341.367 2.043 0 1 EEAF C[C@]12C(=O)O[C@@H]3Cc4c(ccc5ccoc45)[C@@]4(CC[C@@]1(O)OC4)[C@@H]32 1772586866 HDJDBLLWQBRQMW-ZAMIHWKFSA-N 326.348 2.287 0 1 EEAF COc1ccnc(C[S@@](=O)c2nc3cc(CO)ccc3[nH]2)c1C 13603876 UQVNUDISXFZEHZ-QHCPKHFHSA-N 331.397 2.075 0 1 EEAF CC(C)NC(=O)N1CCC2(CC1)CCN(C(=O)c1cccn1C)CC2 3955909 VDWZELJOFQQHEY-UHFFFAOYSA-N 346.475 2.461 0 1 EEAF O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1c(F)cccc1F 4034432 IACFGXXXGCHYSI-LMHVJCSRSA-N 346.333 2.101 0 1 EEAF Cc1ccc([C@@H]2[C@H](S(C)(=O)=O)C(=O)C(=O)N2c2ccccc2)cc1 8318667 JUZJREYKSVHBAV-WBVHZDCISA-N 343.404 2.065 0 1 EEAF COc1ccc2c(c1)[n+](=O)nc(NCO[C@H](C)c1ccccc1)n2O 66122762 SUDIFCKFGNNXDK-GFCCVEGCSA-N 343.363 2.344 0 1 EEAF N=C(N)NCCCOC(=O)c1nc(-c2c[nH]c3ccccc23)cs1 26656108 STPFBPVYQMVLMU-UHFFFAOYSA-N 343.412 2.321 0 1 EEAF Cc1cc(Nc2ccc(Cl)cc2)n2nc(S(C)(=O)=O)nc2n1 73310045 OIGUXYXQZYWTGH-UHFFFAOYSA-N 337.792 2.233 0 1 EEAF CN1C(=O)COc2cc(F)c(N3C(=O)c4cccc(F)c4C3=O)cc21 35825167 TYLJQVWKPDJAIW-UHFFFAOYSA-N 344.273 2.121 0 1 EEAF NC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 71317318 FCCPDQKWEDPACW-UHFFFAOYSA-N 333.351 2.077 0 1 EEAF NC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3)c2c1N 73222933 SSGFQWJVEGWBGZ-UHFFFAOYSA-N 341.396 2.319 0 1 EEAF CC[C@@H]1Cn2c(c(NCc3ccccc3)c(=O)n(C(C)C)c2=O)N1 82224315 HWEZRRFOVODDLY-CQSZACIVSA-N 328.416 2.407 0 1 EEAF COc1ccccc1N1CCN(Cc2cnc3cc(C)ncn23)CC1 42923730 WBLAWLGKKMEVRQ-UHFFFAOYSA-N 337.427 2.369 0 1 EEAF CCN(C)c1ncc(C(=O)N2CCOCC2)c(-c2ccccc2)n1 82132867 QMSDZOYDPRJHBQ-UHFFFAOYSA-N 326.400 2.072 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(N(C)C)ccc21 587401950 UCJCLPIBCVJTLJ-IBGZPJMESA-N 337.379 2.456 0 1 EEAF Cc1cncc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c12 586925497 FZLJPBCXAVICBO-UHFFFAOYSA-N 343.408 2.485 0 1 EEAF CC1=C[C@]2(CC(=O)N1C1CC1)NC[C@H]1CC(=O)N(C)c3cccc2c31 963038559 ZGIAGOFAASJTQM-ZUOKHONESA-N 337.423 2.234 0 1 EEAF CCCCCn1c(=O)n(CC(=O)NCC(C)C)c(=O)c2ccccc21 1772579950 XZZSHLVLUBWURB-UHFFFAOYSA-N 345.443 2.126 0 1 EEAF CCCNCC(=O)Nc1ccc([C@@H]2NC(=O)Cc3ccccc32)cc1 2003340 RFKFOPKQXURKAV-FQEVSTJZSA-N 337.423 2.386 0 1 EEAF Oc1ccc(CC[C@@H]2CC[C@@H](O)[C@@](O)(c3ccc(O)cc3)O2)cc1 2356428461 MJXQJVSQSNSYPR-GUDVDZBRSA-N 330.380 2.416 0 1 EEAF COc1ccc(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1OC 100504759 GAUQASGOZWDJET-HOTGVXAUSA-N 340.423 2.485 0 1 EEAF COCCNc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2n1 21881921 ONOPQBREXRKUFS-UHFFFAOYSA-N 349.456 2.468 0 1 EEAF COC(=O)n1c2ccccc2c2oc(C(=O)N3CCOCC3)cc21 26384871 PKTGSKIAFGNNBU-UHFFFAOYSA-N 328.324 2.474 0 1 EEAF OCCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21 64539706 QQDDFQKWZHOVDY-UHFFFAOYSA-N 339.277 2.461 0 1 EEAF CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C 66259839 QOOUYRBZZDYTEG-KCXAZCMYSA-N 330.428 2.491 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@H](C(C)=O)[C@@H]1C[C@H]23 38421864 DHAOEWPYRANXCZ-MAOAEMCLSA-N 338.407 2.090 0 1 EEAF C[C@@]1([C@H](O)CO)CC[C@H]2C(=CC[C@@H]3[C@](C)(CO)[C@H](O)CC[C@@]32C)C1 238738350 SMWFFXGYNIDWPX-BKFJMFTRSA-N 338.488 2.252 0 1 EEAF COc1cccc([C@H]2CN(C(=O)c3noc4c3CCCC4)C[C@@H]2N)c1 91645372 YFRFMTQWIRFQGA-CVEARBPZSA-N 341.411 2.129 0 1 EEAF N[C@H](Cc1nc2cncnc2[nH]1)c1ccc(Br)cc1F 587144197 JBBCBHCHHCOVIM-SNVBAGLBSA-N 336.168 2.497 0 1 EEAF C[C@@H]1COC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617044 OHCDGGVFXFSSNZ-RUHJCQMXSA-N 326.304 2.286 0 1 EEAF COc1ccc2c(c1OC)[C@](C)(c1nn(C)cc1O)N(C)[C@H](C)C2 962563460 GKCYGDLIRGSTEQ-ADLMAVQZSA-N 331.416 2.283 0 1 EEAF NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)cc1COc1ccccc1 1772599518 IYYHXVQQUUTOGY-DLBZAZTESA-N 340.427 2.441 0 1 EEAF C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1N 5335778 KZOZYDRQDRZKLS-QJPTWQEYSA-N 349.460 2.427 0 1 EEAF CC1(c2cccc3c2[C@@]2(O)C=CC4(CC[C@H]32)OCCO4)OCCO1 5741803 IGRXYKWVMNRJMH-AUUYWEPGSA-N 330.380 2.284 0 1 EEAF Cc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1C 13763601 IMXJHAMVFYJETE-UHFFFAOYSA-N 344.392 2.461 0 1 EEAF COc1ccc(CC(=O)Nc2cn([C@H]3C[C@H](C(=O)OC)C3)cn2)cc1 101634481 RMQMCGSCLKFYRU-OKILXGFUSA-N 343.383 2.197 0 1 EEAF O=c1c2ccccc2nnn1Cc1ccc[n+](Cc2ccccc2F)c1 1857602827 JQDDPIXPQUVWPF-UHFFFAOYSA-N 347.373 2.315 0 1 EEAF CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@H]1CC[C@@H]1C[C@H]3[C@H](O)[C@]12CC[C@]3(C)O 2356371758 PLILJVFREJTXNY-ORWOJLONSA-N 338.488 2.083 0 1 EEAF CC[C@]1(O)CN(C)CCC1=CC=C1C(=O)Nc2c(OC)cccc21 2356386577 NXQBPTQPVWZSKU-IBGZPJMESA-N 328.412 2.434 0 1 EEAF Fc1cc(F)cc(CN2CCc3nc(N4CCOCC4)ncc3C2)c1 21640032 HZTAMZMKYHLEJX-UHFFFAOYSA-N 346.381 2.150 0 1 EEAF CC(C)C[C@@H](CO)C[Si](CN)(c1ccccc1)c1ccccc1 170039488 NHQFFUVLXMVAMQ-SFHVURJKSA-N 327.544 2.402 0 1 EEAF Cc1noc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)O 2356519210 SHXUKSGQRZUYMH-QMMMGPOBSA-N 344.776 2.374 0 1 EEAF COc1ccc2nc(-c3ccccc3)c(C[C@@H](CO)NC(C)=O)n2c1 72180354 OGWZOWQWVDHDNQ-HNNXBMFYSA-N 339.395 2.049 0 1 EEAF COc1cc(N[C@@H](C)CCCNC(=O)NCCO)c2ncccc2c1 43018548 KIEAFCIJUOFJTL-ZDUSSCGKSA-N 346.431 2.116 0 1 EEAF O=C1NN(c2ncnc3sc4c(c23)CCC4)C(=O)[C@H]2CCCC[C@@H]12 618012513 NMMBQLVIFKDWPW-ZJUUUORDSA-N 342.424 2.364 0 1 EEAF COCCNC(=O)c1[nH]c(C)c(C(=O)O[C@@H]2C[C@H]3CC[C@H]2C3)c1C 261098805 FWRUVQJJRZNKPE-MELADBBJSA-N 334.416 2.353 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-n4cnnn4)c1)[C@@H](C2)C3=O 587437608 KDYGHJKQQPWLMK-KXBFYZLASA-N 348.362 2.334 0 1 EEAF COc1cc(N)c([C@]2(C)NCCc3c(C(=O)O)cccc32)cc1OC 963127969 YUNXOLNRNYWMPZ-LJQANCHMSA-N 342.395 2.393 0 1 EEAF O=C(O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccccc1C(F)(F)F 13147225 HEQCVKVKKBIQIR-WHOHXGKFSA-N 327.258 2.298 0 1 EEAF COc1cccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)c1 13603240 CIEIXNUFYFWVKO-UHFFFAOYSA-N 341.411 2.215 0 1 EEAF COc1cc2c(cc1[C@@H]1COc3cc(O)cc(O)c3C1=O)OCO2 14645836 MNXNLFUKHPLPES-JTQLQIEISA-N 330.292 2.194 0 1 EEAF endogenous,in-man COc1cc2c3c(c1O)[C@]1(CC[C@H](O)[C@H](OC)C1)C[C@@H]3N(C)CC2 14687757 KCTHYDYDNKJILM-CTQRGLTFSA-N 333.428 2.131 0 1 EEAF biogenic COc1cc(/C=C(\C)C(=O)N2CCC=CC2=O)cc(OC)c1OC 169331798 LOZIPJWWEOSDRS-FMIVXFBMSA-N 331.368 2.431 0 1 EEAF COc1cc(O)cc2c1C(=O)O[C@@H](C)C/C=C/[C@@H](O)[C@@H](O)CC/C=C\2 169727615 DHJLJFUHCPWDSW-MWBKUDQBSA-N 348.395 2.421 0 1 EEAF Cc1ccc(C2CN(c3cc(-n4nc(C)nc4C)nc(C)n3)C2)nc1 205351725 SEUCCTPZMKLCGK-UHFFFAOYSA-N 335.415 2.290 0 1 EEAF CC(C)C(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(-n2cncn2)cc1 61927214 MLAQVDPPCRAQTM-GOSISDBHSA-N 341.415 2.243 0 3 EEAF COc1cc2c(cc1O)OC[C@@H](c1cc3c(cc1O)OCO3)[C@H]2O 2356856871 SEFIKYKGOWKGJE-BTDLBPIBSA-N 332.308 2.045 0 1 EEAF CS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2 143190437 SLLDGNRMACWAFH-MOPGFXCFSA-N 344.480 2.336 0 1 EEAF CN(C)c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1 96175418 NFSSFVUKSIEQIF-UHFFFAOYSA-N 337.387 2.040 0 1 EEAF O=C(Cc1ccsc1)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1 299842110 DFFAKDQXHCHHEB-HOTGVXAUSA-N 341.436 2.088 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1cnc4c(c1)OCCO4)[C@@H](C2)C3=O 587437330 XYHYCDPMCAVIOW-YVEFUNNKSA-N 325.320 2.350 0 1 EEAF N=c1[nH]c2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc-2c(Cl)[nH]1 587043118 YGFMXPUUVRCZNK-UWVGGRQHSA-N 346.847 2.317 0 1 EEAF CS(=O)(=O)N1CCC2(CC1)c1ccc(F)cc1C[C@H]1CCCN12 963113496 UOYIJWAHDKWCKZ-OAHLLOKOSA-N 338.448 2.097 0 1 EEAF COc1ccc([C@@H](O)c2cn(Cc3cccc(OC)c3)nn2)cc1 1772637776 DLRZQEBUNQLWGY-GOSISDBHSA-N 325.368 2.425 0 1 EEAF CSc1ccccc1OCc1cc(C(=O)N[C@@H]2CCOC2)no1 12433242 UBLYEXGEDRDDBA-LLVKDONJSA-N 334.397 2.494 0 3 EEAF O=C(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 33993957 JKPRSGOFKDIIGQ-UHFFFAOYSA-N 335.407 2.255 0 1 EEAF Cc1ccc([C@H]2[C@@H](S(C)(=O)=O)C(=O)C(=O)N2c2ccccc2)cc1 71335 JUZJREYKSVHBAV-DOTOQJQBSA-N 343.404 2.065 0 1 EEAF CC=C1CN2C(=O)[C@@]3(c4ccc(OC)cc4N)C[C@H]2[C@H]2CO[C@H]3C[C@@H]12 2356336005 GJTBZLZKFLDAQJ-GYPRTHBGSA-N 340.423 2.111 0 1 EEAF C[C@H]1C[C@H](C)CN(C(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)C1 103711249 OVDNFLVUHFWXBV-STQMWFEESA-N 338.411 2.334 0 3 EEAF COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C)C2 103242796 ALSDCLHBWYGJDK-UHFFFAOYSA-N 345.424 2.096 0 1 EEAF O=C(/C=C/c1ccccc1)NCCNC(=S)Nc1ccccn1 28334609 LDSLSAXGWMRYCR-MDZDMXLPSA-N 326.425 2.198 0 1 EEAF COc1cc(-n2cc(-c3cc(O)cc(O)c3)nn2)cc(OC)c1OC 28567559 DLRNBKYXMHIQNI-UHFFFAOYSA-N 343.339 2.371 0 1 EEAF Brc1cc(N2C[C@H]3CNC[C@H]32)cnc1Br 28865981 MUOPMDPHPADYMC-HZGVNTEJSA-N 333.027 2.015 0 1 EEAF O=C(CCN1CCCCO1)N1CCc2[nH]nc(C3CCCC3)c2C1 20235449 SGALSBGNZINEMD-UHFFFAOYSA-N 332.448 2.370 0 1 EEAF C[C@@H]1CCCN1c1nc(-c2cnc(N)nc2)cc(C2CCOCC2)n1 221269925 JAZSQIUOZOFYBR-GFCCVEGCSA-N 340.431 2.399 0 1 EEAF CN1CCC=C([C@H]2CN(C(=S)Nc3ccccc3F)CCO2)C1 40875879 PUTYLQRIQFVFDQ-MRXNPFEDSA-N 335.448 2.485 0 1 EEAF CC[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(C(C)C)c2=O)N1 82224322 PFQHLMMKGQYTQV-CYBMUJFWSA-N 344.415 2.113 0 1 EEAF COC[C@H](O)CN1CCC(=O)N(Cc2ccco2)Cc2ccccc21 299852556 UPVZHLYAGJFFNU-MRXNPFEDSA-N 344.411 2.026 0 1 EEAF CSc1ncc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)n1 587410471 NJABTMGWORGPEL-MRXNPFEDSA-N 330.413 2.552 0 1 EEAF O=S(=O)(Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)C1CCCC1 586924748 VBLPKNUSVKLCKU-UHFFFAOYSA-N 334.323 2.181 0 1 EEAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cnc(Cl)[nH]c-3n1)C2 587247714 XSBWFNSBRFTCTJ-INIZCTEOSA-N 329.791 2.309 0 1 EEAF Cc1ccc(S(=O)(=O)N2C[C@@H]([C@@H](N)N=O)Oc3ccccc32)cc1 957916656 DMMPHZPSGDLCFS-HOTGVXAUSA-N 347.396 2.003 0 1 EEAF Cc1cc(C(=O)N2CC[C@@H](C3CCN(CC(C)C)CC3)C2)nc(N)n1 12715004 GOVILGJXNDMUQB-MRXNPFEDSA-N 345.491 2.197 0 1 EEAF NC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 13534253 JBVFPTKZYNRPII-KDOFPFPSSA-N 338.398 2.259 0 1 EEAF O=C(Nc1cccnc1)[C@H]1C[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]1O2 1857613455 WABPRDUHIJULTB-BZSNNMDCSA-N 341.386 2.449 0 1 EEAF CN(C)[C@H]1CC[C@H](N=c2nc[nH]n3ccc(C4CCOCC4)c23)CC1 1857766488 VSHLMINWRIQBFE-WKILWMFISA-N 343.475 2.330 0 1 EEAF C[C@]12CCC[C@]3(C)C1=C(C[C@@H]1C[C@H]4C[C@@]13[C@H](O)C[C@]4(O)CO)OC2 2356324273 IFKUIJZGXPLIFR-XWXBREPGSA-N 334.456 2.372 0 1 EEAF O=C(Nc1ccc2c(c1)OCO2)[C@H](c1ccccc1)N1CCOCC1 20108139 QGEYFXFRDBMADF-SFHVURJKSA-N 340.379 2.427 0 1 EEAF CCOC(=O)[C@@H](Cc1ccccc1)ON1C(=O)c2ccccc2C1=O 103177006 QIYYKNNONXCLFK-MRXNPFEDSA-N 339.347 2.389 0 1 EEAF CC(=O)O[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1 14728219 WJMRMTQQBTZCNV-DLBZAZTESA-N 330.292 2.052 0 1 EEAF biogenic COc1cccc(CNC(=O)c2cc(-c3nc(N)ncc3C)c[nH]2)c1 89469408 GLPCJHAQMMPFSG-UHFFFAOYSA-N 337.383 2.301 0 1 EEAF Cc1ccc(CNc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)cc1 82203538 OHXIHCCTPSWODG-INIZCTEOSA-N 339.443 2.407 0 1 EEAF Nc1ccccc1NC(=O)CCCNCC(=O)Nc1ccccc1 84709456 AQDHIXOOWQTSRY-UHFFFAOYSA-N 326.400 2.216 0 1 EEAF CC(C)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@H](C)[C@@H]42)[C@@]13C 85643706 YDKWKCQTFWTPEG-FCWXTNMASA-N 336.472 2.304 0 1 EEAF Cc1coc(-c2cnn3c(=O)cc(-c4ccc5c(c4)OCO5)[nH]c23)n1 143108395 KWYVTHFOLGCRRD-UHFFFAOYSA-N 336.307 2.382 0 1 EEAF CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccn4)n3c2c1 95598154 CBPBGAAUJILPTQ-UHFFFAOYSA-N 332.367 2.398 0 1 EEAF COc1ccc2c3c1O[C@@H]1C=C([C@@H](C)O)C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 299806459 QWIOCLNAHOMHPC-JDSQBPMISA-N 327.424 2.281 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncnc2N)N1 587745734 KIVDBFXXYFQVON-FUXBKTLASA-N 337.196 2.584 0 1 EEAF CCOC(=O)[C@@H](C(C)C)[C@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963529228 WFWZYPBHBAHOBC-OHNRDTAOSA-N 349.427 2.350 0 1 EEAF COC(=O)c1cc(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2[nH]1 169314555 CJEJYSLNHJEIJO-UHFFFAOYSA-N 343.360 2.148 0 1 EEAF NC(=O)C(CCN1CCC(O)CC1)(c1ccccc1)c1ccccc1 1857585127 ZAUYKVVBTBWPJU-UHFFFAOYSA-N 338.451 2.305 0 1 EEAF CCc1c(C)[nH]c2cc([C@H]3CCN(Cc4cccnc4)C3)nn2c1=O 19521722 USONCKIAEMVQCT-HNNXBMFYSA-N 337.427 2.278 0 1 EEAF Nc1nc(Cl)cc(NCC2(CO)CC(OCc3ccccc3)C2)n1 1645733 KKVGFCKNSJPYNG-UHFFFAOYSA-N 348.834 2.482 0 1 EEAF COc1ccc(Cn2nnnc2CN2CCc3ccccc3C2)cc1 20120913 FUFKKSHXPNMNLY-UHFFFAOYSA-N 335.411 2.288 0 3 EEAF CC1=CC[C@H](OS(=O)(=O)O)[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@H]12 2356649516 OWJMDQVDMYDESK-WCSPYGGUSA-N 330.402 2.118 0 1 EEAF NC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3)n2)C1 37426688 MZFJRARNAJOEFX-LLVKDONJSA-N 330.413 2.224 0 1 EEAF CC(=O)NC1=NCC[C@@H](c2c[nH]c3ccc(Br)cc23)N1 45256267 BXUVFNWDBMCEKT-ZDUSSCGKSA-N 335.205 2.457 0 1 EEAF O=C([C@H]1C[C@H](Cc2ccccc2)CN1)N1CCCN(C2CCC2)CC1 49089487 NMYNPFVVDMEVND-AZUAARDMSA-N 341.499 2.294 0 1 EEAF C[C@]12C[C@H](O)[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@H]2C(=O)CO 26651000 ACHGZZCRIIPHAX-HHVHBONLSA-N 332.440 2.277 0 1 EEAF biogenic COc1ccc(CCN2[C@H]3[C@@H]4[C@H]5C[C@@H]6[C@@H]4[C@]2(O)[C@@H]2[C@H]6[C@@H]5[C@@H]32)cc1OC 261129313 KULMFBVVFDTVNX-KBRYBODVSA-N 339.435 2.007 0 1 EEAF CCn1c(C)nnc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 299854535 ABBCTFWLQPQNKP-SECBINFHSA-N 328.825 2.299 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(N)=O)cc1)[C@@H](C2)C3=O 587433995 YWFAWXWTTVLFDY-IFXJQAMLSA-N 339.347 2.048 0 1 EEAF N=c1[nH]cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc-2[nH]1 586914588 XHYZLUSLYMUFBL-UHFFFAOYSA-N 347.334 2.485 0 1 EEAF [O-][n+]1ccccc1SCc1nc2cnc(C(F)(F)F)[nH]c-2n1 586969088 GIDYTSGBGJSATN-UHFFFAOYSA-N 327.291 2.249 0 1 EEAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 587250813 ZINHQRDTKLOJMM-UHFFFAOYSA-N 329.287 2.271 0 1 EEAF C[C@]1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)Cc2ccc(F)cc2C(=O)O1 587172274 FBYKTCGLNPFUGK-OAHLLOKOSA-N 347.737 2.138 0 1 EEAF CC[C@@H](C)[C@H]1C=C[C@H]2[C@H](O)[C@@H](CO)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO 1772615722 UUJZIOLXONJIGY-DAQNOYPXSA-N 338.488 2.418 0 1 EEAF CC[C@@H](c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)n1cnnc1 13863011 LEYPOMSTRVKGIO-QMMMGPOBSA-N 340.170 2.114 0 1 EEAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3NC[C@@H]2O)OCO4 14612206 FQGXOUZHUXOCIV-STQMWFEESA-N 341.363 2.333 0 1 EEAF endogenous,in-man CCOc1ccc([C@@H]2C[C@H](C3C(=O)N(C)C(=O)N(C)C3=O)N=N2)cc1 169689336 ZYGJXDBRGIWLED-QWHCGFSZSA-N 344.371 2.018 0 1 EEAF Cn1ccnc1CN1C[C@H](F)[C@H](OCc2nc3ccccc3n2C)C1 2356301473 APLQYTMXDPBPMH-XJKSGUPXSA-N 343.406 2.046 0 1 EEAF COc1cc(C[C@@H](C)NO)c(OC)cc1I 26016618 NCMQBVDCEKNHMV-SSDOTTSWSA-N 337.157 2.218 0 1 EEAF CC(C)[C@]1(O)CC[C@]2(C)C[C@H]3[C@@H]([C@@H](O)C[C@H]3CO)[C@@](C)(O)CC=C21 2356334822 NYVUJKBYRUEZKI-HXQZKZQDSA-N 338.488 2.250 0 1 EEAF CCCNC(=O)[C@]1(C)CCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 61925494 NOJVGUIZLBLNLE-LJQANCHMSA-N 348.443 2.011 0 3 EEAF CCc1oc([C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)O)c(C)c(=O)c1C 2356645262 KDBDGPBVVUIYNX-OBOQGBEESA-N 338.400 2.209 0 1 EEAF CSc1ccc(Cc2nn(CN3CCNCC3)c(=S)o2)cc1 64448683 AZFGNVOLIPBJRH-UHFFFAOYSA-N 336.486 2.381 0 1 EEAF C/C=C\C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)CC[C@]3(C)[C@]1(C)[C@]21CO1 38883579 AGQQMRNEWSVYSU-DUGZWPNFSA-N 334.412 2.138 0 1 EEAF biogenic,in-vitro NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 84759368 XHTGRFBIHWSAHX-UHFFFAOYSA-N 343.311 2.191 0 1 EEAF COc1cc2c3c4c1O[C@@]1(OC)C[C@]4(CC[C@@H]1O)C[C@@H]3N(C)CC2 238754539 RQLOGQPJLCEFLE-XGHOKTPJSA-N 331.412 2.146 0 1 EEAF CC(C)n1cnc2c(Nc3ccnnc3)nc(C(C)(C)CO)nc21 95593481 JSJVSQMHVJPNON-UHFFFAOYSA-N 327.392 2.211 0 1 EEAF O=C(N[C@@H](c1ccccn1)C1CC(O)C1)c1cn2ccsc2n1 230462454 PXKIFCMFUKQLOI-QIMFLAQGSA-N 328.397 2.033 0 1 EEAF CC(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)/C=C\c3ccccc3)C[C@H]1N2C 253639192 QKTXQEDBXGTOFH-RHXYOOSCSA-N 329.396 2.410 0 1 EEAF c1cc(CO[C@H]2CC[C@H]3[C@@H]2OCCN3CC2CCOCC2)ccn1 299842944 KSDKBULUIDSIFV-FHWLQOOXSA-N 332.444 2.257 0 1 EEAF C[C@H]1CC(=O)N([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O 653840696 MMNCRRILEXDEAT-IUCAKERBSA-N 328.290 2.427 0 1 EEAF O=C1c2c(O)cc(O)cc2O[C@@H]1Cc1ccc(N2CCOCC2)cc1 653725528 ASMYQQHCKYJMCD-QGZVFWFLSA-N 341.363 2.121 0 1 EEAF CS(=O)(=O)c1cccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 586927905 ZFUJQLFZGOPDSE-CQSZACIVSA-N 330.369 2.357 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(F)ccc41)[C@@H](C2)C3=O 587427078 GSYKDAHTXTXAHM-KPZWWZAWSA-N 325.295 2.429 0 1 EEAF CCOC(=O)[C@H](CC(C)=O)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399775 MELFXNBKNIDKSL-SCLBCKFNSA-N 333.384 2.460 0 1 EEAF COCC1(COC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597163 UCKGYAPFHFZKNQ-HNNXBMFYSA-N 330.336 2.385 0 1 EEAF COc1cccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc12 586937058 VXAMBJGHABXLTE-UHFFFAOYSA-N 334.401 2.253 0 1 EEAF COc1ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2n1 587223253 BADNYTRMEAEUMW-NSHDSACASA-N 326.356 2.050 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nonc2N)N1 587743793 FLRYPDFDXJMPLJ-CAAJLBCPSA-N 341.184 2.351 0 1 EEAF c1cc2c(s1)[C@H](Cc1nc3ccc(-n4cnnn4)cc3[nH]1)OCC2 587034054 CJHUWGRKYVSLCL-AWEZNQCLSA-N 338.396 2.457 0 1 EEAF COC(=O)c1ccc2[nH]nc([C@@H]3NCCc4nc5ccccn5c43)c2c1 962989449 QCPSQIBQBAXBIZ-KRWDZBQOSA-N 347.378 2.232 0 1 EEAF O=C([C@@H]1Cc2ccccc2[C@H](c2cn3ccncc3n2)N1)C(F)(F)F 962729637 INQNTOUOSSEMNV-SWLSCSKDSA-N 346.312 2.464 0 1 EEAF CNC(=S)NCCCCCn1nc(-c2ccccc2)ccc1=O 27208895 HZNLKFMSSNHXOW-UHFFFAOYSA-N 330.457 2.175 0 1 EEAF CO[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@]2(O)[C@@H](CC2(C)C)[C@@H](CO)C1 2356668867 FBYOODMLZCFCSM-KCYAQADSSA-N 326.433 2.059 0 1 EEAF COC(=O)c1ccc2nc(CO[C@H]3CN(C4CCC4)C[C@@H]3F)[nH]c2c1 2356759098 JIEJGFUEBLVIGR-BBRMVZONSA-N 347.390 2.441 0 1 EEAF COCC(=O)N1CC[C@@H](CC(=O)O)[C@H](CCN(C)c2ccccc2)C1 2356874967 ZXQUSLVUWKUZFI-JKSUJKDBSA-N 348.443 2.099 0 1 EEAF COc1ccc(C[C@H]2C(=O)c3c(O)c(C)c(O)c(C)c3O[C@@H]2O)cc1 14811084 PLNGZQZXHIURST-DJJJIMSYSA-N 344.363 2.476 0 1 EEAF biogenic CN1C(Nc2nc3ccccc3s2)=NC[C@]12CN1CCC2CC1 210824141 QJCQTLSLIJTHTC-QGZVFWFLSA-N 327.457 2.474 0 1 EEAF COc1ccc(OC)c(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)c1 40423170 IKLXSHDEPYGLRG-UHFFFAOYSA-N 332.385 2.310 0 1 EEAF O=C(NCC1CC1)c1cnc(N2CCOCC2)nc1-c1ccccc1 82132979 PWBHONHPZAZSSW-UHFFFAOYSA-N 338.411 2.120 0 1 EEAF c1cc(CN2CCOCC2)cc(OC[C@H]2CN(C3CCC3)CCO2)c1 40957208 NIPMSTUGWAGNHI-HXUWFJFHSA-N 346.471 2.151 0 1 EEAF CC1(C)[C@@H](O)[C@H](O)C[C@@]2(C)[C@H]1CC[C@H]1C[C@H]3[C@@H](O)[C@]12CC[C@]3(C)O 95918997 PLILJVFREJTXNY-KHIOITSTSA-N 338.488 2.083 0 1 EEAF biogenic,in-vitro CN(C)CCOc1ccc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2c1 587250030 WWXXRNIQXPAJSI-UHFFFAOYSA-N 340.383 2.451 0 1 EEAF Oc1nc(S)nc2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc12 587091386 JYFULDAPVHJQDX-UHFFFAOYSA-N 343.290 2.350 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1c(C(C)=O)cnn1C)[C@@H](C2)C3=O 587431234 JCZYICKFTXBGET-SCLBCKFNSA-N 326.352 2.294 0 1 EEAF CS(=O)(=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 587153798 DHSUPZZCPBBYNA-PXAZEXFGSA-N 345.399 2.447 0 1 EEAF CCNc1ccc(S(=O)(=O)NC)cc1Nc1ncnc2[nH]ccc12 1772609870 OVVSLXLWCKAPKN-UHFFFAOYSA-N 346.416 2.041 0 1 EEAF CNC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 13745280 XKZAHVUPOZQVAN-UHFFFAOYSA-N 336.355 2.459 0 1 EEAF CCCCC[C@H]1CCCCC[C@@H](O)C[C@@H](O)[C@@H](O)/C=C/C(=O)O1 14852774 LEEBEEPDVOWSDN-XPPXOLPJSA-N 328.449 2.472 0 3 EEAF COc1ccc2cc1Oc1ccc(cc1)C[C@H](N)C(=O)NCCC2 1857775164 CFQXBZJYCOWLAG-INIZCTEOSA-N 326.396 2.420 0 1 EEAF O=C(/C=C/c1ccco1)Nc1ccc(O)c(NC(=O)[C@@H]2CCCN2)c1 103177647 IFEPWEAGLDRSND-OWNNVSBGSA-N 341.367 2.328 0 1 EEAF COc1cc(C)cc([C@@]2(O)OC(=O)c3c(OC)cc(O)cc32)c1OC 2356335002 RMNOGZNNJGVWOO-SFHVURJKSA-N 346.335 2.090 0 1 EEAF COc1ccc(C=CC(=O)NC[C@H](O)c2ccc(OC)c(O)c2)cc1 2356648638 KRCDWJIBLHXTBK-KRWDZBQOSA-N 343.379 2.272 0 1 EEAF CC1(C)C[C@H](O)C[C@]2(C)[C@@H]1C[C@H](O)[C@@]1(O)C[C@H]3C[C@@]12CC[C@@]3(C)O 2356698391 UICCWCWMTBQVAX-ZISSTWMGSA-N 338.488 2.227 0 1 EEAF COc1c(O)ccc2c1CN1C[C@H](O)c3cc4c(cc3C1=C2)OCO4 2356815077 COMHEMBJSWCOIA-INIZCTEOSA-N 339.347 2.490 0 1 EEAF CCCNC(=O)c1cc([C@@H]2CCCCN2C(=O)OCCF)on1 61896773 MPXCEPALXBPGEZ-LBPRGKRZSA-N 327.356 2.448 0 3 EEAF COC(=O)c1c(O)c2nc(Cc3ccc(F)cc3)sc2n(C)c1=O 35010307 QDXIWCZVHNPRDO-UHFFFAOYSA-N 348.355 2.217 0 1 EEAF O=c1n(Cc2ccccn2)nc(C2CCNCC2)n1Cc1ccccc1 71419166 ZYUJEPXBHYQNME-UHFFFAOYSA-N 349.438 2.003 0 1 EEAF Oc1ccc(CC[C@H]2C[C@H](O)[C@@H](O)[C@@H](c3ccc(O)cc3)O2)cc1 40829553 RBJGEWFAPDFFEA-INDMIFKZSA-N 330.380 2.282 0 1 EEAF Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCCc1ccccn1 82213023 BNZUQKMDIOYDEZ-HUUCEWRRSA-N 327.432 2.448 0 1 EEAF Cc1nc(Cl)c2[nH]c(=O)n(-c3cccc(N4CCOC4=O)c3)c2n1 82157446 DDOOMBTXEMBCIZ-UHFFFAOYSA-N 345.746 2.027 0 1 EEAF CNS(=O)(=O)c1ccc(Cl)c(Nc2nc[nH]c3nccc2-3)c1 146085249 SLDWVUQGWUNROC-UHFFFAOYSA-N 337.792 2.215 0 1 EEAF Nc1c(F)c(F)nc(-n2ncc3ccc(Cl)cc3c2=O)c1F 587652306 ORKNQZQYGWHSLX-UHFFFAOYSA-N 326.665 2.434 0 1 EEAF COC1CN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 140143266 AXARMNBLJCRHKL-UHFFFAOYSA-N 347.422 2.464 0 1 EEAF O=C1CSC[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)N1 587044198 RPWMLTYHVDKFJK-YFKPBYRVSA-N 347.625 2.278 0 1 EEAF CCOC(=O)C(=O)C[C@@]1(C(F)F)CC(=O)c2cc(C)cc(N)c2O1 587381959 JDLLFUMQQKHUMC-MRXNPFEDSA-N 341.310 2.069 0 1 EEAF O=S(=O)(O)c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586900269 BCJXOAREWSZCMH-WFASDCNBSA-N 330.365 2.379 0 1 EEAF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@H](O)c1ccc(O)cc1)N1CCCC[C@@H]13 1772636535 BBNDXKDYLDOPPS-WGYMDGOUSA-N 339.391 2.214 0 1 EEAF COC(=O)c1ccc(C)cc1CCCn1cnc2c1NC=NC[C@H]2O 13807698 ZDIDPDYZBAVGDL-OAHLLOKOSA-N 342.399 2.098 0 1 EEAF COc1cc(/C=C/C(=O)Nc2ccc(CC(N)=O)cc2)ccc1O 1857568973 DHULWGAKCLEKEN-WEVVVXLNSA-N 326.352 2.081 0 1 EEAF O=C(NC[C@@H]1CCCO1)[C@H]1c2ccccc2C(=O)N1C1CCCC1 427240 FCAATOHEORQJKU-WMLDXEAASA-N 328.412 2.421 0 1 EEAF C[C@@H]1C(=O)O[C@H]2[C@@H](C)C(=O)O[C@]12c1ccc(Br)cc1 4009268 NXMWSGLZVWSDCT-NEUVUOMCSA-N 325.158 2.399 0 1 EEAF CCn1ncc2c1CCCN([C@@H]1[C@H]3CC4C[C@@H]1C[C@](O)(C4)C3)C2=O 101668602 SDTVTFWVSFBYNT-YEUWWEQRSA-N 329.444 2.231 0 1 EEAF CCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc1 100863100 FPDLFUOECYLQDS-UXOAXIEHSA-N 329.352 2.325 0 1 EEAF CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1 27886129 YAYWVTXWLMZFEY-UHFFFAOYSA-N 330.365 2.403 0 1 EEAF COc1ccc(S(=O)(=O)N2CCc3cccc(NC(C)=O)c32)cc1 38143473 WMZMARMELCMINZ-UHFFFAOYSA-N 346.408 2.405 0 1 EEAF CCNC(=O)c1cc(S(N)(=O)=O)ccc1SC1CCCC1 49784980 REHYANQPPHOBGY-UHFFFAOYSA-N 328.459 2.118 0 1 EEAF COc1nn(Cc2ccc(NC(=O)c3ccccc3)cc2)c(=O)o1 473125662 RNMXDOINOBDDHI-UHFFFAOYSA-N 325.324 2.146 0 1 EEAF CC[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)CCC1=O 299863116 KRQAJVOXQDVGKA-GFCCVEGCSA-N 342.317 2.249 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587409003 SQPYBFJJJQJBEP-CXWAGAITSA-N 343.379 2.371 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(CO)cc2[nH]1 587232546 ZAJNRYFFFUTXMF-KBPBESRZSA-N 331.416 2.092 0 1 EEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Cl)cnc2[nH]1 586951420 MQNZVQWBRIIEPT-UHFFFAOYSA-N 343.821 2.415 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3cnn(C)c3)nc1)O2 587392699 VXVOPKSMBGTEOD-MRXNPFEDSA-N 335.367 2.474 0 1 EEAF COc1cccc(C2(c3nc4c(O)nc(N)nc4[nH]3)CCCC2)c1 587933142 KWTNAYUWXPCQBG-UHFFFAOYSA-N 325.372 2.509 0 1 EEAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccnn1C)[C@@H](C2)C3=O 587433204 WGVNXBKTEKCBKM-PKOVIFDQSA-N 339.395 2.147 0 1 EEAF COC(=O)N1C[C@H](NC(=O)OCCCCC2CCCCC2)C1=O 1772651060 PYPCGCZBAQSTPV-ZDUSSCGKSA-N 326.393 2.440 0 1 EEAF Cc1c(-c2ccc(OS(=O)(=O)N(C)C)cc2)[nH]c2nccnc12 13492968 HVIKNWLSYBPGOG-UHFFFAOYSA-N 332.385 2.119 0 1 EEAF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)C)C[C@]1(C)[C@@H](O)CC=C(C)[C@H]21 15056433 GOKMCEPAKYDIRF-NCMUWALVSA-N 334.412 2.389 0 1 EEAF biogenic CC(=O)Nc1sc2c(c1-c1nc3c[n+]([O-])ccc3s1)CCNC2 1857587172 RWXPATYSGUNJBG-UHFFFAOYSA-N 346.437 2.262 0 1 EEAF C=CC(C)(C)c1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@@H](C)NC1=O 1560628 LVPZJIGICMPWFH-IAQYHMDHSA-N 325.412 2.177 0 1 EEAF biogenic CO[C@H]1CC(=O)N[C@@H]2CC[C@@H]3[C@@H]4CC[C@H](C(N)=O)[C@@]4(C)CC[C@H]3[C@@]12C 40685472 AXHBIEPEDODFJJ-LAMUJSQRSA-N 348.487 2.234 0 1 EEAF CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1C[C@H](O)[C@@]1(O)C[C@H]3C[C@@]21CC[C@]3(C)O 40939012 UICCWCWMTBQVAX-JCGIAZOESA-N 338.488 2.227 0 1 EEAF Cc1ccccc1OCCn1ccc(=O)n(Cc2ccccc2)c1=O 95586336 XLRPZKMFBPHBJU-UHFFFAOYSA-N 336.391 2.446 0 1 EEAF O=C(C[C@H]1CCNC1)Nc1ccc(C(=O)Nc2nccs2)cc1 299871198 YASYZUJSAWTGNM-LLVKDONJSA-N 330.413 2.334 0 1 EEAF CNC(=O)c1cn[nH]c1[C@]1(C)CCCN(Cc2nccn2C(C)C)C1 299850969 QXIBTZDVJLCPGQ-GOSISDBHSA-N 344.463 2.100 0 1 EEAF CN(C)S(=O)(=O)c1ccc2nc(Cc3cc(N)ccc3F)[nH]c2c1 587142175 MKAISRQRLJJNLV-UHFFFAOYSA-N 348.403 2.125 0 1 EEAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 586893120 USNFKNPFUSSYQJ-BDJLRTHQSA-N 345.424 2.356 0 1 EEAF COc1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1OC 586966723 LYVMDLKIPBMODC-UHFFFAOYSA-N 334.357 2.074 0 1 EEAF CC[C@@]1(C(F)(F)C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421263 OZHZQSCVVZDVIJ-MEBBXXQBSA-N 326.295 2.400 0 1 EEAF O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCC=CS1(=O)=O 1772631780 OMVVOKFYKPYFET-VOTSOKGWSA-N 337.788 2.077 0 1 EEAF COc1ccc(C[C@H]2CN(C(=O)CCc3cccnc3)CCO2)cc1 11936822 ANOOWMZVJHWLIZ-IBGZPJMESA-N 340.423 2.493 0 1 EEAF COc1cccc(-c2cccc(Oc3cc(=O)n(O)c(=O)n3C)c2)c1 1857542818 AFVAUXLUQAJYIZ-UHFFFAOYSA-N 340.335 2.252 0 1 EEAF Cc1ccc(-c2nnc(NC(=O)C[C@@H]3SC(=O)NC3=O)s2)cc1 103284977 VZBDMMVHQYNDOB-VIFPVBQESA-N 348.409 2.194 0 1 EEAF O=C(CCCCCC/N=c1/c(S)c(O)c1=O)Nc1ccccc1 102154475 VQRFOKYVTRCRQJ-NBVRZTHBSA-N 332.425 2.407 0 1 EEAF O=C(c1ccncc1)N1C[C@H](OCc2nc3ccccc3[nH]2)[C@H](F)C1 2356299939 QWFYMCAVQSNJKW-CJNGLKHVSA-N 340.358 2.337 0 1 EEAF Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cccc(c23)N[C@@H]1c1ccccc1 68201020 GOMMADJURTTYPW-HZPDHXFCSA-N 344.378 2.350 0 1 EEAF Cn1c(CN2C[C@@H](O)C[C@@H]2c2nc(C3CC3)no2)nc2ccccc21 2356821702 GDURQXWPPDXXRN-SWLSCSKDSA-N 339.399 2.142 0 1 EEAF Cn1cc(C2CCN(C(=O)N[C@H]3C[C@H]3c3ccccc3)CC2)nn1 43014229 RQDRWTLKQRNDSG-HOTGVXAUSA-N 325.416 2.260 0 1 EEAF CCS(=O)(=O)c1cccc(Cc2nc3cccc(C(N)=O)c3[nH]2)c1 586921435 IEKTUDXLNQDVHM-UHFFFAOYSA-N 343.408 2.046 0 1 EEAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 587249053 FJOPIFSXXRKWIL-OAHLLOKOSA-N 325.328 2.158 0 1 EEAF COc1cc2c3c(c1)O[C@@H](CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587440346 YOOZOMSZEBKKMN-ZBFHGGJFSA-N 349.342 2.107 0 1 EEAF O=C(Cc1ccccc1)NCCc1nc2cc(C(=O)O)c(F)cc2[nH]1 587228216 JFSKDOCRFHTKDJ-UHFFFAOYSA-N 341.342 2.302 0 1 EEAF CCOC(=O)C(=O)[C@H]1CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587439947 DVIALYUYXSDINC-VPZZIHKRSA-N 344.363 2.114 0 1 EEAF Cc1nccnc1[C@@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963225164 CSESTBWHPCBDLY-LPHOPBHVSA-N 334.379 2.196 0 1 EEAF COC(=O)C[C@@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962699307 INTPUSJVFQOOTA-BXUZGUMPSA-N 349.280 2.222 0 1 EEAF CCC(=O)NCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772634225 BHRZGMBXYIAWIG-UHFFFAOYSA-N 339.399 2.001 0 1 EEAF C[C@@]12C[C@H](O)C[C@@](C)(CO)[C@H]1CCC1=C[C@H](CO)[C@@](C)(O)CC[C@H]12 1772580384 CWRLZRIEZIOFOF-PHJNVHRLSA-N 338.488 2.252 0 1 EEAF CC1=C[C@H](O/C=C2\C(=O)O[C@@H]3[C@@H]2C=C2CCCC(C)(C)[C@]23O)OC1=O 14416221 FIKOOQXJBAJJSE-GOMMGLSJSA-N 346.379 2.139 0 1 EEAF endogenous,in-man CNC(=O)Nc1cc(Oc2cncc(C)c2)c([C@H]2C[C@@H]2CO)cn1 1857593084 PKWULGGISSUMMT-YPMHNXCESA-N 328.372 2.424 0 1 EEAF C[C@@H]1CCC[C@@H](CCN2C(=N)NC[C@@H]2CCCCN2CCNC2=N)C1 1857751249 DWNKCFMABVEJRS-IKGGRYGDSA-N 348.539 2.422 0 1 EEAF CCOC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3C)CC1=O 101384126 XUOQREZRAUHJRW-HSSOGYSNSA-N 343.423 2.049 0 1 EEAF CC1(C)CCC[C@]2(C)[C@@H]1[C@H](O)C=C1[C@@H](O)[C@H]3C[C@@]12CC[C@]3(O)CO 2356528034 SFYFCRSKCFIBEC-FQJWRULHSA-N 336.472 2.004 0 1 EEAF Cc1cccc(C)c1OC[C@H](C)Nc1nc(N)nc2c1CCNC2 67642326 DJERMENRYNCZBU-ZDUSSCGKSA-N 327.432 2.201 0 1 EEAF C[C@]12CCCC(CO)(CO)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 504348369 OSDMCLGYBVZLJQ-KLTZCBCKSA-N 338.488 2.087 0 1 EEAF biogenic CC[C@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)N1CCOCC1 8299597 XBLYBWMFYHUOIG-WMZOPIPTSA-N 344.455 2.424 0 1 EEAF biogenic O=C1CCc2cc(/C=C/C(=O)N3CC(Oc4ccccc4)C3)cnc2N1 198921274 XLPKMGVYSWAPAJ-RMKNXTFCSA-N 349.390 2.269 0 1 EEAF C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12[C@H](CCC(C)(C)[C@H]1CO[C@H]2O)OC3=O 653739746 KUYKREFAEVXJRQ-HDWNXVNOSA-N 348.439 2.305 0 1 EEAF Cc1cccc(N2CCN(CCNC(=O)c3ccncc3)CC2)c1C 653780495 PUFURIWRECAJCN-UHFFFAOYSA-N 338.455 2.250 0 1 EEAF CCc1ccccc1NC(=O)c1nc2cc(S(N)(=O)=O)ccc2[nH]1 587241335 UKIJCVPVUTYWRZ-UHFFFAOYSA-N 344.396 2.025 0 1 EEAF O=C(O)CCCOc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587559252 HCLKVHSURMNAQG-UHFFFAOYSA-N 341.323 2.347 0 1 EEAF COC(=O)CCCN1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587395500 NHEWPEUALXGKII-UHFFFAOYSA-N 346.427 2.330 0 1 EEAF Cc1ccc([S@@](=O)CCNC[C@@H](O)COc2ccccc2)cc1 169345724 ISTKBENNVNORSW-MWTRTKDXSA-N 333.453 2.132 0 1 EEAF CCSc1nnc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)s1 13153620 ROCXLAJJRSSVTB-KDXUFGMBSA-N 325.415 2.112 0 1 EEAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2nccs2)CC[C@@]1(C)O 2356320924 ZGIQAXZKTRGSNA-KZNAEPCWSA-N 345.468 2.346 0 1 EEAF CCOC(=O)Cc1cc(=O)n2[nH]cc(-c3ccc(Cl)cc3)c2n1 103835579 PYOQOGZJNVOIEH-UHFFFAOYSA-N 331.759 2.449 0 3 EEAF CN1C(C(=O)Nc2ccccc2)=C(O)c2cc(F)ccc2S1(=O)=O 28096299 CRFNOXARPRQXCO-UHFFFAOYSA-N 348.355 2.325 0 1 EEAF COc1ccccc1CNS(=O)(=O)CCNC1CCCCC1 61931112 XZFKBVJLTHLVOO-UHFFFAOYSA-N 326.462 2.037 0 3 EEAF Cc1c[nH]c(NCCCN2CCN(C)CC2)c2c3cnccc3nc1-2 101219892 QEYFRGRTOCNGLN-UHFFFAOYSA-N 338.459 2.421 0 1 EEAF CN1C(=O)[C@H]2C[C@@H](CN2Cc2ccncc2F)Oc2ccccc21 2356299129 YLQHIEKMIWPSKH-XJKSGUPXSA-N 327.359 2.219 0 1 EEAF O=Cc1ccc(C(=O)OCCCCc2c[nH]c(=S)[nH]c2=O)cc1 28019123 CSWCMTWMULZKLS-UHFFFAOYSA-N 332.381 2.425 0 1 EEAF CC(C)NC1(C(N)=O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 27561273 DQWLSHWCPUSFFO-UHFFFAOYSA-N 349.450 2.107 0 1 EEAF C[C@H](O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1 14807709 HATNSSGJRODWED-VIFPVBQESA-N 342.303 2.157 0 1 EEAF biogenic CCN1C(=O)CC[C@H]1C(=O)NCc1ccc(F)cc1C(F)(F)F 95565571 IEUBTQYUYPHSIV-LBPRGKRZSA-N 332.297 2.472 0 1 EEAF CCCc1c(O)ccc2c1O[C@@](C)(CN(C(C)=O)C(C)=O)CC2=O 587467039 BVCITZNFJGNWPJ-GOSISDBHSA-N 333.384 2.464 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC(=O)C(=O)O)(c1ccccc1)O2 587409450 UPTDRIOUWFIVRI-IBGZPJMESA-N 339.347 2.482 0 1 EEAF COC(=O)/C(=C\N(C)C)[C@@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1 587387100 NCSIIGQITZOFTL-ATEOEAFZSA-N 344.411 2.310 0 1 EEAF O=C(N[C@@H](Cc1nc2ccccc2[nH]1)C(=O)O)OCc1ccccc1 587202863 LYKRVAFJQJCMIS-HNNXBMFYSA-N 339.351 2.485 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN[C@H](C)C2=O)N1 587798029 UDVQSPKESDEHNZ-KEMUVXCRSA-N 339.208 2.392 0 1 EEAF NC(COc1ccc([N+](=O)[O-])cc1)COc1ccc([N+](=O)[O-])cc1 1602974 CCGKJNAONQTVNW-UHFFFAOYSA-N 333.300 2.288 0 1 EEAF biogenic COc1ccc(Cc2nnc(-n3c(O)c4c(c3O)CCCC4)[nH]2)cc1 169688162 LFZXUTSQCYFVFU-UHFFFAOYSA-N 340.383 2.485 0 1 EEAF CCCn1c(O[C@@H]2CCN(C)C2)nc2nc(C3CCCC3)[nH]c2c1=O 205308535 VYJIFKCXNFHZAD-CYBMUJFWSA-N 345.447 2.270 0 1 EEAF N=c1nc(-c2ccccc2CO)[nH]c(=NCc2ccccc2Cl)[nH]1 1857605222 XAYJIOKSDLYGLK-UHFFFAOYSA-N 341.802 2.131 0 1 EEAF CC=C1CN2CC[C@@]34C(=O)c5ccccc5N3[C@H](C(=O)OC)[C@H]1C[C@@H]24 2356393675 PPYARVBMTFPVQA-DZIWXPPMSA-N 338.407 2.024 0 1 EEAF CCN1CCC[C@H]1CNC(=O)Cn1cccc1C(=O)c1ccccc1 4111055 HQEWDVJLNHYNEU-KRWDZBQOSA-N 339.439 2.320 0 3 EEAF Cc1cc(-c2ccc(C)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)on1 20580223 PRCSXFGXGTYVHG-AWEZNQCLSA-N 336.413 2.416 0 1 EEAF COC(=O)c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 215508915 FGURLVYPUFPJLU-UHFFFAOYSA-N 349.393 2.279 0 1 EEAF CCCc1c(Cn2ccnc2-c2cccc(OC)n2)ncn2ncnc12 139416968 GLSCYLYIWLGOCR-UHFFFAOYSA-N 349.398 2.392 0 1 EEAF NS(=O)(=O)c1ccc(NCc2coc3ccccc3c2=O)cc1 96940554 BXBVBTIUJYWPTC-UHFFFAOYSA-N 330.365 2.053 0 1 EEAF O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc(-c2ccccc2)cc1 98209553 UYFCRZJXNNSAAC-UHFFFAOYSA-N 336.347 2.214 0 1 EEAF in-vitro CC1(C)[C@H]2C(=COc3ccccc32)[C@@H]2C(=O)C[C@@]3(O)C[C@H]1[C@H]2[C@H]3O 238772749 CKEZIBBDMDFHQQ-ILKNQKGPSA-N 326.392 2.403 0 1 EEAF N=c1[nH]cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc-2[nH]1 587043803 VIRVTLDRDYYEQW-SNVBAGLBSA-N 346.803 2.026 0 1 EEAF C[C@H](O)Cc1nc2c(Br)cnc(Br)c2[nH]1 586890237 NKMLYAXKYPUJDN-BYPYZUCNSA-N 334.999 2.406 0 1 EEAF COC(=O)CCc1cc2c(O)nc(O)nc2nc1-c1ccccc1 587559722 MCEHXVXDXGNUAD-UHFFFAOYSA-N 325.324 2.209 0 1 EEAF CCCCS(=O)(=O)N[C@H](c1nc2cnc(Cl)[nH]c-2n1)C(C)C 586933249 OBRUZFUGWIWDAD-JTQLQIEISA-N 345.856 2.375 0 1 EEAF CCCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O 169710924 KKWMUPZMTIBFDU-UHFFFAOYSA-N 337.379 2.290 0 1 EEAF CN(C)CCN(C)N(Cc1ccncn1)[C@@H]1CCCc2cccnc21 1857639755 GVSCHAAKHKSNHD-GOSISDBHSA-N 340.475 2.160 0 1 EEAF CC[C@@H](C)NC(=O)[C@@]1(C)CCC(=O)N1Cc1ccc2c(c1)OCO2 427060 GSASTSAQZDWNAG-KZULUSFZSA-N 332.400 2.211 0 1 EEAF C[C@@]1(CO)[C@H]2CC=C3[C@H]4OC[C@]5(O)CC[C@]3(C[C@@H]45)[C@]2(C)CC[C@H]1O 2356323700 FEZMGCSWYJJOCN-NOHBLQAQSA-N 334.456 2.022 0 1 EEAF COCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(Cl)nc2)C1 61904143 HRJLDAADZBVXOD-INIZCTEOSA-N 325.840 2.100 0 3 EEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1CC=C1[C@@H](O)[C@H]3C[C@@]12CC[C@@]3(O)CO 2356753241 HEZQTJICTKZYRG-AIFSHUDHSA-N 336.472 2.006 0 1 EEAF CC=CC=CC(=O)O[C@@H]1CCCC[C@H](O)[C@H](O)[C@@H](CCC)OC1=O 2356766025 FMVRTWDUGYFHPQ-HWMZRRJGSA-N 340.416 2.038 0 1 EEAF c1cc(Nc2ncc(-c3cncnc3)s2)nc(N2CCNCC2)c1 34837786 UOSJYZIEZUKMHD-UHFFFAOYSA-N 339.428 2.148 0 1 EEAF O=C(NCC(F)(F)F)c1ccc(C(F)(F)P(=O)(O)O)cc1 49109471 DHRNJUPSEMSIFN-UHFFFAOYSA-N 333.149 2.206 0 1 EEAF O=C1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 49067195 SCUVEXOMVQBFQF-INIZCTEOSA-N 328.412 2.149 0 1 EEAF COC(=O)[C@]12COCC=C3CN(CC[C@H]31)Cc1c2[nH]c2ccccc12 85897433 IFPNVCKONQNHIZ-OXQOHEQNSA-N 338.407 2.371 0 1 EEAF CC(=O)N1C(=O)/C(=C2/C(=O)N(C(C)=O)c3ccccc32)c2ccccc21 299832157 SGIQXROUSRRHMT-ISLYRVAYSA-N 346.342 2.384 0 1 EEAF CN1C(=O)[C@@](c2ccccc2)(c2cccc(Br)c2)N=C1N 137922529 JJAICPQAWSIWNG-MRXNPFEDSA-N 344.212 2.479 0 1 EEAF Nc1cc(Br)ccc1-c1ccc2c(O)nc(O)nc2n1 587367102 SLWJLZNPNMEVJK-UHFFFAOYSA-N 333.145 2.448 0 1 EEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccnc(Cl)c2[nH]1 586944602 OAFZMZJHPLIORG-UHFFFAOYSA-N 340.792 2.229 0 1 EEAF Cc1cccc(OCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1C 587564443 RNXPXMYSRSCBAJ-UHFFFAOYSA-N 331.397 2.406 0 1 EEAF COC(=O)[C@H]1CCc2occc2[C@@]12NCCc1c2c(C(C)C)nn1C 962925214 YJGACHRDVCXAIP-BFUOFWGJSA-N 343.427 2.261 0 1 EEAF CC(C)c1n[nH]c(-c2n[nH]c3ccnc(OC4CCOCC4)c23)n1 146790357 UBMFDDBRQVIMEJ-UHFFFAOYSA-N 328.376 2.424 0 1 EEAF O=C(NC[C@H]1Cc2cccc(-c3cncnc3)c2O1)c1cccnc1 12049471 DKLQUKFPCUIAFC-MRXNPFEDSA-N 332.363 2.272 0 1 EEAF O=C(NC[C@H]1CCCCO1)c1cc(Cn2cnc3ccccc32)[nH]n1 12431116 UAFXVCKYFNWSAD-CQSZACIVSA-N 339.399 2.107 0 1 EEAF CC(C)(O)[C@H]1OC(=O)c2cc(O)c3[nH]c4ccccc4c3c2[C@@H]1O 13399163 JGJWXQATUAEENP-HOTGVXAUSA-N 327.336 2.370 0 1 EEAF biogenic CCCCNC(=O)[C@@H]1C[C@H](Cc2ccccc2)CN1C(=O)[C@@H](N)CC 13675986 CADQCYDPKBWFDJ-BZSNNMDCSA-N 345.487 2.100 0 1 EEAF O=C1CC[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 169306090 XNXORWDKIQPSNX-LHHVKLHASA-N 325.408 2.411 0 1 EEAF CN1CCC(Nc2nc3nonc3nc2Nc2ccccc2F)CC1 1857579585 UUCFGZHLSUOWDG-UHFFFAOYSA-N 343.366 2.402 0 1 EEAF COc1cc(O)c([C@@H]2COc3cc(O)ccc3C2=O)c(OC)c1OC 1857644957 CUHWFIACEPFJDU-NSHDSACASA-N 346.335 2.483 0 1 EEAF COc1ccc(CCNC[C@@H](O)COc2ccccc2)cc1OC 2360836 SUYWLUKAHMBOQE-MRXNPFEDSA-N 331.412 2.276 0 1 EEAF C[C@]12C(=O)O[C@@H]3C[C@@H]4c5occc5C(=O)C[C@H]4[C@@]4(CC[C@@]1(O)OC4)[C@H]32 2356335738 CBUZTSOSSFLWTE-SBQAOJQSSA-N 344.363 2.016 0 1 EEAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@H]2NCc2cccc(OC)c2)cc1 2356415305 GZYWGPFFGYSCLN-LWYYNNOASA-N 343.423 2.071 0 1 EEAF CCn1ncc(C2=NO[C@@H](C(=O)NCc3ccc(OC)cc3)C2)c1C 4076449 ZAMWURXOYZPGKB-QGZVFWFLSA-N 342.399 2.029 0 3 EEAF Cc1ncc(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)c(CC2CC2)n1 101550359 VVKAWGAZJLUMCB-FDYBHVLXSA-N 341.455 2.407 0 1 EEAF O=C1N(c2ccccc2)C[C@@H]2CN(Cc3ccncc3F)CCN12 2356287751 PLKWOIQMMYFXJM-INIZCTEOSA-N 326.375 2.347 0 1 EEAF CC(C)NC(=O)C1=CC2=N[C@H](c3ccco3)C[C@H](C(F)(F)F)N2N1 104009521 GVZPRLXQUYSPGF-JOYOIKCWSA-N 342.321 2.283 0 3 EEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@H]1[C@H]2[C@H]2C=C[C@@]1(O)C(=O)O2 2356533938 FNDYJRBJAVGLKR-PRNCGYLRSA-N 344.363 2.143 0 1 EEAF O=C(N[C@@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 68206298 LJPSIRPRIUNDAT-SNVBAGLBSA-N 342.424 2.479 0 1 EEAF CN1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c1n[nH]c2=O 73295908 UMMRYNHAOASYHZ-UHFFFAOYSA-N 325.759 2.416 0 1 EEAF O=C1CCC/C1=c1\s/c(=C\c2cccnc2)c(=O)n1-c1ccccc1 32696083 LZYNJZUILTYHRZ-WOTCVVSMSA-N 348.427 2.027 0 3 EEAF CCc1cc(NC[C@@H](O)CO)nc(-c2cc(F)c(Cl)cc2F)n1 84687218 KPKGFRPQEQJFKH-SECBINFHSA-N 343.761 2.403 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CN1C(=O)COc3ccccc31)O2 587397394 ALQQHHBZMMGPNZ-LBPRGKRZSA-N 338.363 2.337 0 1 EEAF CCOC(=O)C[C@@]1(C(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421340 JURZWOZWXNDCBH-QLJPJBMISA-N 326.295 2.400 0 1 EEAF CCOC(=O)CC[C@@]1(C2CC2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963551336 NBBGQKKPSUEJLY-LIRRHRJNSA-N 347.411 2.248 0 1 EEAF COC(=O)C[C@@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962699311 INTPUSJVFQOOTA-SMDDNHRTSA-N 349.280 2.222 0 1 EEAF Nc1c(Cl)cc(C[C@H](N)C(=O)O)cc1-c1cccc(C(=O)O)c1 1772637586 JSHTULRQRNITRF-ZDUSSCGKSA-N 334.759 2.242 0 1 EEAF COC(=O)[C@H]1C2=Nc3ccccc3[C@]23CCN2C[C@@H](C(C)=O)[C@H]1C[C@@H]23 169723800 JRBVRMFUVVDJAE-ULAROXBWSA-N 338.407 2.113 0 1 EEAF CC(C)n1nnnc1[C@@]1(C)CSCC(=O)N1Cc1cccc(F)c1 203465352 DCMDUKNQMBORNN-MRXNPFEDSA-N 349.435 2.384 0 3 EEAF N=c1c2ncnc(Nc3ccccc3)c2ncn1NC(=O)c1ccco1 102067916 WYDSYURONCMKFM-UHFFFAOYSA-N 347.338 2.026 0 1 EEAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(=O)C1CCOCC1)C2 2356305655 SYSXJJKUEXHLPS-MRXNPFEDSA-N 344.411 2.479 0 1 EEAF C[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]12CO[C@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O 2356654194 WSRQDGKCDIHPPB-KXAOAKRXSA-N 348.439 2.305 0 1 EEAF CC(=O)c1cc([C@@H](O)[C@@H](O)C(C)(C)O)c2oc(C(C)(C)O)cc2c1 13306512 QUZPTVPAUHASLU-GDBMZVCRSA-N 336.384 2.028 0 1 EEAF biogenic C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H]([C@@H](O)CC[C@H]1C)[C@@H]2OC(=O)C(C)C 14407319 VSLKGPYHLGIYBG-DOLTUZGKSA-N 336.428 2.471 0 1 EEAF biogenic O=C(O)Cn1c(=O)c(-c2ccc(O)cc2O)nc2ccc(Cl)cc21 299861215 HWEXVQSJWPBZCY-UHFFFAOYSA-N 346.726 2.213 0 1 EEAF Cc1ccc(CC(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)s1 299852091 NGSGOAPQYVFITQ-GOSISDBHSA-N 345.468 2.094 0 1 EEAF O=C(COc1ccccc1O)n1ncc2ccc(Cl)cc2c1=O 587652436 RTWSEQVNIYGFID-UHFFFAOYSA-N 330.727 2.475 0 1 EEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc3ncccc3c2[nH]1 587204267 OKGUGPIKCSGWEN-AWEZNQCLSA-N 339.399 2.190 0 1 EEAF Cc1cc2c(O)nc(O)nc2nc1-c1cc2ccc(O)cc2oc1=O 587562573 GDFNRXQXCZGKAZ-UHFFFAOYSA-N 337.291 2.223 0 1 EEAF Cc1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)on1 1772624216 ZKWFYUWVTRWSOV-UHFFFAOYSA-N 335.371 2.365 0 1 EEAF O=C1CC[C@H](C(=O)N2CCSCC2)CN1CCc1ccccc1 12373477 GQDZUFLXCQEHKP-INIZCTEOSA-N 332.469 2.043 0 3 EEAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NC3CCCC3)C[C@H](O)[C@H]2CO)n1 2356289087 PHKFBBGGCVPQDH-FJIDUMEYSA-N 347.503 2.207 0 1 EEAF N[C@@](CCc1ccc(Cl)cc1Cl)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O 27201576 WFYBMXDAGSIWJM-IMSIIYSGSA-N 332.183 2.429 0 1 EEAF CNC[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 103282736 FVWJFCNPRUCMAT-LBPRGKRZSA-N 341.411 2.080 0 1 EEAF C[C@@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1 72125890 GYHSDCAQMDKVKI-GOSISDBHSA-N 347.436 2.453 0 1 EEAF CC[C@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1 95596146 SBNNOXYSSSCMJX-LLVKDONJSA-N 342.407 2.124 0 1 EEAF N[C@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(F)cc1F 587148868 ATNUXSZCMUBGAV-HNNXBMFYSA-N 330.294 2.220 0 1 EEAF COc1c(F)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1F 587134686 VEVYLFLTNFTBHZ-UHFFFAOYSA-N 328.282 2.492 0 1 EEAF CC(C)(O)CNC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1 149241925 QZCOKVPMPZYWSF-UHFFFAOYSA-N 332.322 2.401 0 1 EEAF CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 12314043 XXEHRBCKHKOXMA-MRXNPFEDSA-N 346.475 2.340 0 3 EEAF CN1CCC(N2C[C@@H](F)[C@H](OCc3nc4ccccc4o3)C2)CC1 2356299966 RGRTXQOFJDDVBX-RHSMWYFYSA-N 333.407 2.461 0 1 EEAF COc1ccc(C2=NN(CCC(=O)N3CCCCC3)C(=O)CC2)cc1 4668421 PFHJQKXXVNKHCS-UHFFFAOYSA-N 343.427 2.424 0 1 EEAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(F)cc3)c2n1 28571292 NNSFFUMRZHUMDN-UHFFFAOYSA-N 330.367 2.101 0 1 EEAF CN(c1nc2ccccc2c(=O)s1)S(=O)(=O)c1ccccc1 27885205 LBDODUPMSIZKHE-UHFFFAOYSA-N 332.406 2.482 0 1 EEAF COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@H]1C=CO[C@@]1(C)O2 2356461241 YSUCHUGGULCMTR-LZVRBXCZSA-N 342.303 2.251 0 1 EEAF CC(C)C[C@H](C(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 29565566 RTQVUYOWZRGAHW-ZFWWWQNUSA-N 346.383 2.027 0 1 EEAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCC1)c1ccccc1 2356650356 BJDLMLGJOCWVPE-GUDVDZBRSA-N 327.472 2.223 0 1 EEAF COC(=O)C1=CC(O)=C[C@@H]2Oc3cc(C)c(Cl)c(O)c3C(=O)[C@H]12 2356804828 VANAINQFHHJRDO-WDEREUQCSA-N 336.727 2.469 0 1 EEAF CNC(=O)[C@]1(C)Cc2c(-c3ccc(NC(C)=O)cc3)ccnc2O1 61906907 XKMJANBWXCLGQH-SFHVURJKSA-N 325.368 2.147 0 3 EEAF CCOC(=O)CC(=O)c1c(CO)oc2cc(Br)cnc12 587273106 HYLUCBKQJGODIL-UHFFFAOYSA-N 342.145 2.219 0 1 EEAF CNC(=O)[C@@H]1C[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 587235084 KWYKSCQGRQSENL-CRCLSJGQSA-N 329.585 2.223 0 1 EEAF CCN(CC)C(=O)[C@@H]1CC(c2cc(OC)c(OC)c(OC)c2)=NO1 5031127 BRRNKTHOOYPCFQ-HNNXBMFYSA-N 336.388 2.074 0 1 EEAF CC(C)n1nc(-c2ccc3oc(=N)[nH]c3c2)c2c(F)[nH]c(=N)nc21 1857590514 XYFXUNWLLFSAGS-UHFFFAOYSA-N 327.323 2.180 0 1 EEAF CC(=O)[C@H]1C(=O)[C@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 100382720 TZCOBUQKVNFIQF-GUDXXQAFSA-N 336.391 2.201 0 1 EEAF N[C@@](CCc1ccc(C(F)(F)F)cc1)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O 27208149 RYXOROIRCHCEMQ-MISXGVKJSA-N 331.290 2.141 0 1 EEAF CC(C)C=C1NC(=O)[C@H](C(C)C)n2c1nc1c(c2=O)C=CC=CO1 2356713229 CCHUDPANZXHQCS-AWEZNQCLSA-N 327.384 2.486 0 1 EEAF c1cc(NC2=NCCN2)cc(Nc2ccc(NC3=NCCN3)cc2)c1 653722057 SLZNVGXDJRPLGI-UHFFFAOYSA-N 335.415 2.172 0 1 EEAF O=C(O)Cc1c(C(=O)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990197 JVGLZDOCUUXDHM-UHFFFAOYSA-N 349.298 2.477 0 1 EEAF COc1cncc2nc(CCNC(=O)OCc3ccccc3)[nH]c12 587228618 USVJFDQHLDADCX-UHFFFAOYSA-N 326.356 2.435 0 1 EEAF FC(F)COc1cccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)n1 587128891 FGBJZKIPGYRSCU-UHFFFAOYSA-N 343.297 2.245 0 1 EEAF CS(=O)(=O)c1ccc(F)c([C@H]2NCCc3nc4ccccn4c32)c1 962981209 FASTVJSWSZIBRO-MRXNPFEDSA-N 345.399 2.112 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2nccc(C(F)(F)F)n2)N1 962899085 HBCSMXTWBDVOBU-CABZTGNLSA-N 341.264 2.323 0 1 EEAF CCOC(=O)[C@@](C)(Cc1ccc(O)cn1)NC(=O)c1ccccc1 5844397 UZJIEETVKCAVMW-GOSISDBHSA-N 328.368 2.082 0 1 EEAF CN(Cc1ccon1)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 12471289 LPLPUZDQWZJRGZ-UHFFFAOYSA-N 340.383 2.478 0 3 EEAF CC(C)Cn1c(-c2cccnc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 12546277 RKUGFLJNAXOWKN-UHFFFAOYSA-N 341.415 2.260 0 3 EEAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccccc1Cl 13496238 ATWGPAAGZWQRJW-FVQLFGEKSA-N 342.782 2.038 0 1 EEAF CCOC(=O)/C(C(=O)Nc1cccc(Cl)c1)=C(/N)N1CCCC1 1655330 YWTYPTYRYKDYHG-YPKPFQOOSA-N 337.807 2.108 0 1 EEAF Cc1ccc(-c2nnn(CC(=O)Nc3cccc4cccnc34)n2)o1 4375567 IXVBBXYOSPEESJ-UHFFFAOYSA-N 334.339 2.428 0 3 EEAF Cc1ccc2nc3c(O)n(CC(=O)NCc4cccnc4)ncc-3c2c1 103536785 FZODHUUJRROIOK-UHFFFAOYSA-N 347.378 2.262 0 1 EEAF O=C1CCCC(=O)C1C(=O)c1ccccc1I 100855619 OGHGLYVCKWVCJJ-UHFFFAOYSA-N 342.132 2.412 0 1 EEAF in-vivo COc1ccccc1C(=O)NC(=O)NC1C[C@H]2CCC[C@H](C1)N2C 102092135 UKMATDGDVREYGK-ZIAGYGMSSA-N 331.416 2.150 0 1 EEAF Fc1cnccc1CN1C[C@H](F)[C@H](OCc2nc3cnccc3[nH]2)C1 2356299264 DETLPJFARYTVBO-XJKSGUPXSA-N 345.353 2.231 0 1 EEAF COc1ccc(C(=O)Nc2cc(Cl)ccc2S(N)(=O)=O)cc1 66114321 BDBVNQMTBXGGRX-UHFFFAOYSA-N 340.788 2.248 0 1 EEAF N=C(N)Nc1ccc(NC(=S)Nc2ccc(NC(=N)N)cc2)cc1 29133167 ZSRHHPRFJPNOIW-UHFFFAOYSA-N 342.432 2.106 0 1 EEAF CC(=O)Nc1ccc(-c2nn(C)/c(=N/[C@@H]3CCC[C@H](O)C3)s2)cc1 28377910 VJGYWKLYRLGWJI-MCYOWCNASA-N 346.456 2.311 0 1 EEAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-n3ccnc3)n2n1 40914895 UPZOIZPHMPTTQW-UHFFFAOYSA-N 348.370 2.118 0 1 EEAF Cc1cc(Cn2cc([C@H](C)Cc3ccc4c(c3)OCO4)nn2)n[nH]1 91390926 WDVXJQLQQJFXRE-LLVKDONJSA-N 325.372 2.433 0 1 EEAF C=CS(=O)(=O)N1CCN(c2ccc(Br)c(F)c2)CC1 618020264 TUYCIOBEUFTBFU-UHFFFAOYSA-N 349.225 2.184 0 1 EEAF C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NC1(C)CCCCC1 618013218 HWVWIUSQRATADH-ZQIUZPCESA-N 344.459 2.033 0 1 EEAF C[C@@]12Nc3ccccc3[C@]1(O)CCN2Cc1ccc(/C=C/C(N)=O)cc1 299853176 GSUOTZHCHGUHCC-HRZVIGLNSA-N 349.434 2.420 0 1 EEAF CC(C)(C)OC(=O)N1CC[C@H]2c3nc4nc(O)nc(O)c4cc3[C@H]2C1 587559500 YWEFSVILWIGAIK-KCJUWKMLSA-N 344.371 2.258 0 1 EEAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cnc(N)cc3[nH]2)cc1 586938081 IQQJMSJIFHKYBS-SNVBAGLBSA-N 345.428 2.284 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)C2=O)N1 587771708 WVUBYFRKQJEXAE-RMLUDKJBSA-N 327.197 2.180 0 1 EEAF CCOC(=O)Cn1nc(C)c2c(=O)c3cc(Cl)ccc3n(O)c21 14959933 SWFWPDBZWOJSON-UHFFFAOYSA-N 335.747 2.113 0 1 EEAF CC(C)[C@]1(O)CC[C@]2(C)C[C@@H]3[C@H](CO)C[C@H](O)[C@@H]3[C@@](C)(O)CC=C21 2356334823 NYVUJKBYRUEZKI-NXXFDJNYSA-N 338.488 2.250 0 1 EEAF O=C1N(Cc2ccc(F)cc2)C[C@@H]2CN(Cc3ccccn3)CCN12 2356287573 LVZQTRHIKCAFLC-SFHVURJKSA-N 340.402 2.343 0 1 EEAF CCN(c1ccc(C(=O)O)cn1)c1ccc2c(C)cc(=O)n(C)c2n1 58603898 XIGQSNYTHZDEPS-UHFFFAOYSA-N 338.367 2.493 0 1 EEAF CC[C@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 26656493 WMEDPYWNFHPWBH-HXUWFJFHSA-N 332.359 2.148 0 1 EEAF COc1cc([C@H]2Oc3ccc(CCCO)cc3O[C@@H]2CO)ccc1O 103281676 CYLVTAFKOSKXKE-RTBURBONSA-N 346.379 2.199 0 1 EEAF CCOC(=O)Nc1cc(N[C@H](C)[C@@H](O)c2ccccc2)c(N)c(N)n1 27196529 CXWKZNZBOCOAPU-MEBBXXQBSA-N 345.403 2.348 0 1 EEAF CC=C1CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@]2(O)C[C@H]1[C@H]3C(=O)OC 2356510935 RWGQUFAQJZEGJD-ASKNOMKYSA-N 338.407 2.309 0 1 EEAF CC1(C)[C@H]2C[C@]3(O)CC(=O)[C@@H](C4=COc5ccccc5[C@@H]41)[C@@H]2[C@H]3O 2356706351 CKEZIBBDMDFHQQ-UATHTZGPSA-N 326.392 2.403 0 1 EEAF OCc1ccc(CN2CCC(n3cc(-c4ccccn4)nn3)CC2)o1 23429660 JHNCIAIZVSZWMJ-UHFFFAOYSA-N 339.399 2.263 0 1 EEAF COc1ccc(CNC(=O)c2c(O)c(=O)[nH]c3ccc(F)cc23)cc1 84668803 QZZKJLZVPXTPOA-UHFFFAOYSA-N 342.326 2.311 0 1 EEAF CS(=O)(=O)c1cccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 322255193 FGVULDJTRKZUNJ-UHFFFAOYSA-N 334.328 2.471 0 1 EEAF CCCCCC(=O)Nc1nc(N(C)C)nc2nc(-c3ccco3)nn12 49067910 MXGNPZRQEUOQFW-UHFFFAOYSA-N 343.391 2.364 0 1 EEAF CCOC(=O)N1CCN([C@H](C(=O)NC2CCCC2)c2ccco2)CC1 95600982 UULWRXZRKOJGJK-INIZCTEOSA-N 349.431 2.154 0 3 EEAF O=C(N[C@@H](c1cccs1)C1CC(O)C1)c1cnc2cccnn12 230560404 JLVYEIOWBBWRPM-QKFMDRJYSA-N 328.397 2.033 0 1 EEAF Cc1ccc(OCCn2ccc(=O)n(Cc3ccccc3)c2=O)cc1 95588398 DVSAGIGYEYXAET-UHFFFAOYSA-N 336.391 2.446 0 1 EEAF O=C1CCCN1CCCCN1CCN(c2ccc(F)cc2F)CC1 299853755 PILPOLVYZWONLU-UHFFFAOYSA-N 337.414 2.489 0 1 EEAF O=C(NCc1nc2c(Br)ccnc2[nH]1)c1cscn1 587027302 ARHXGFYPRDZDSJ-UHFFFAOYSA-N 338.190 2.107 0 1 EEAF CC(C)(CO)[C@@H](O)c1nc2c(Br)cnc(Cl)c2[nH]1 586905018 XHGJKNAYQOXJIV-QMMMGPOBSA-N 334.601 2.426 0 1 EEAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1CC(=O)N(C)C)[C@@H](C2)C3=O 587429143 NUDQPHAROWHGNB-UHYGZKCKSA-N 329.396 2.460 0 1 EEAF COC(=O)c1ccc(-n2c(OC)ccc2OC)c(O[C@H]2CCOC2)c1 587925285 QVKOSHOAXOMWMM-ZDUSSCGKSA-N 347.367 2.449 0 1 EEAF CNC(=O)COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587387602 QKMIZBWPQJAOMU-KRWDZBQOSA-N 340.379 2.409 0 1 EEAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587961882 GZNZSGRBJMGVOD-KBPBESRZSA-N 326.444 2.472 0 1 EEAF CC[C@@]1(CC(=O)O)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962630809 FWCBWESYGVSHLB-RTBURBONSA-N 342.395 2.413 0 1 EEAF NC(=O)c1cc2c(Oc3ccccc3C[C@@H](O)CO)cncc2s1 13864394 WBELHIXJMJMRKQ-LLVKDONJSA-N 344.392 2.083 0 1 EEAF O=P(O)(O)O[P@](=O)(O)OCc1ccc(Br)cc1 1857583945 MYJKBEZBVUMLFE-UHFFFAOYSA-N 346.994 2.175 0 1 EEAF CN1C(=O)C(NCc2ccco2)=C(c2cn(C)c3ccccc23)C1=O 1857568956 BFSQLCXRROQMQJ-UHFFFAOYSA-N 335.363 2.271 0 1 EEAF CC(=O)Nc1ccc(-c2nn(C)/c(=N/[C@H]3CCC[C@H](O)C3)s2)cc1 28377918 VJGYWKLYRLGWJI-PFANNTFUSA-N 346.456 2.311 0 1 EEAF COc1cc(CCNCCc2cnc(N)s2)cc(OC)c1OC 26385343 KHHQAWYGAVNFEH-UHFFFAOYSA-N 337.445 2.126 0 1 EEAF COc1ncc(Nc2ncccc2-c2nc(C)nc(N)n2)cc1F 113237413 MSQQWMIPDSCJOT-UHFFFAOYSA-N 327.323 2.111 0 1 EEAF COC(=O)c1ccc2nc(CO[C@@H]3CN(C(C)C)C[C@H]3F)[nH]c2c1 2356568204 HNISLMDYBKKJQI-IUODEOHRSA-N 335.379 2.297 0 1 EEAF CCCCC[C@H](O)C=C[C@@H]1OC(=O)C[C@H](O)[C@@H]1CC=CCC(=O)O 2356625531 PJAAKFHMQLYVGV-VGWMRTNUSA-N 340.416 2.197 0 1 EEAF CC(=O)Cc1cc(=O)c2c(Cc3cc(O)cc(=O)o3)cccc2o1 2356798021 OTPUUBUFWXLIRF-UHFFFAOYSA-N 326.304 2.174 0 1 EEAF CCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@@H](C(C)C)N2 82206185 VFDIGLQHAYFGTK-ZDUSSCGKSA-N 332.404 2.075 0 1 EEAF CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@@H](CC)N2 82207402 LNDWEWADQJDEGA-CYBMUJFWSA-N 346.406 2.375 0 1 EEAF O=C(N1CCC(F)(F)CC1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 49055405 MGRDTAKKEOLNQM-OAHLLOKOSA-N 349.381 2.279 0 1 EEAF Cc1cncn1CCCN/C(=C\[N+](=O)[O-])Nc1ccc2c(c1)OCO2 147454911 JUISCZDVYAJMBT-CXUHLZMHSA-N 345.359 2.088 0 1 EEAF CSCC(=O)N1CC[C@@H](SCc2ccc(F)cc2)[C@H]1C(=O)O 25187461 OPKXHVQHKYMMTN-OCCSQVGLSA-N 343.445 2.476 0 1 EEAF biogenic O=S(=O)(C[C@H]1NCCc2ccccc21)NCCc1ccccc1 96019113 QJFAOCJNBLZDRV-GOSISDBHSA-N 330.453 2.036 0 3 EEAF COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2OC)cc1O 29037447 YMSMRPNRLZXMMQ-SJORKVTESA-N 332.308 2.143 0 1 EEAF biogenic CN1CCCN(c2nccc(-c3c[nH]nc3-c3ccncc3)n2)CC1 299849896 KHXQOQYBKVGATQ-UHFFFAOYSA-N 335.415 2.071 0 1 EEAF O=c1nc(O)ccn1Cc1ccc(OCCCN2CCCCC2)cc1 299826528 MORXKEYXBKEBSJ-UHFFFAOYSA-N 343.427 2.252 0 1 EEAF COC(=O)Nc1ccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cn1 587245822 ZAVPLYMZWPFYMM-UHFFFAOYSA-N 346.368 2.207 0 1 EEAF OC1(c2nc3ccc(I)cc3[nH]2)CCOCC1 586912144 AMABTWMULXUJMS-UHFFFAOYSA-N 344.152 2.166 0 1 EEAF CNC(=O)C[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432419 LTGWFOIHXBFSER-FOIQADDNSA-N 337.375 2.474 0 1 EEAF Nc1ncc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(O)n1 587254203 WDDRNZVYFNNZDG-UHFFFAOYSA-N 342.103 2.348 0 1 EEAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)([C@@H](C)/C=C/C(=O)O)CC2=O 587492784 YPBOSVGCELNGAW-AEPCIFRFSA-N 348.351 2.410 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@@H](C[C@](C)(O)C1CCOCC1)NCC2 962926314 AXICIYYGCWOVQR-QUCCMNQESA-N 346.471 2.143 0 1 EEAF CC(C)c1nn(C)c2c1[C@@](C)(c1cnc3sccn3c1=O)NCC2 962917058 KMBGYVUOBPCHEC-QGZVFWFLSA-N 343.456 2.022 0 1 EEAF c1ccc2cc(OCc3cn(CCN4CCOCC4)nn3)ccc2c1 1772598158 DBDZJBISFHSQEM-UHFFFAOYSA-N 338.411 2.343 0 1 EEAF C[C@@H](CO)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1 1772578842 UWTNXYBYBHTZRY-LBPRGKRZSA-N 335.367 2.054 0 1 EEAF CN1[C@@H]2COC[C@H]1CC(NC(=O)N1CC(C)(C)c3ccccc31)C2 13889229 LYHDROFKRZXMBM-GOOCMWNKSA-N 329.444 2.355 0 1 EEAF CC(C)[C@@H]1C[C@H](O)[C@]2(C)C[C@@H]3[C@H](CO)C[C@H](O)[C@@H]3[C@](C)(O)CC=C12 2356334636 KRGUNUMKPQQOQA-WHACMNMVSA-N 338.488 2.106 0 1 EEAF CC(=O)c1c(O)c2c(c3c1OC(C)(C)[C@@H](O)[C@H]3O)OC(C)(C)C=C2 14616783 DHWMEIUMQKRKAS-BBRMVZONSA-N 334.368 2.344 0 1 EEAF biogenic C[C@H]1CNc2c(NCC3CC3)c(=O)n(CC3CCCCC3)c(=O)n21 82211847 UQYROQJPSWBSJS-LBPRGKRZSA-N 332.448 2.399 0 1 EEAF CCCCC[C@H](C)NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C 618015118 UALDQNFMFJBSGL-KRXQYRFLSA-N 346.475 2.279 0 1 EEAF Nc1nccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 586984188 OERZLPJVNLQRCT-JTQLQIEISA-N 332.205 2.545 0 1 EEAF CNC(=O)[C@H]1C[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 587236348 VBDSTCGJXHDFFG-WHFBIAKZSA-N 329.585 2.223 0 1 EEAF COC(=O)[C@@H]1CCc2occc2[C@@]12NCCc1c2c(C(C)C)nn1C 962925226 YJGACHRDVCXAIP-ORAYPTAESA-N 343.427 2.261 0 1 EEAF CCOC(=O)c1s/c(=N/C(=O)c2cccc(OC)c2)n(C)c1C 13150453 LRGNZPRZUQBJIQ-WUKNDPDISA-N 334.397 2.321 0 1 EEAF O=C(COc1ccccc1)NCc1nnc(S)n1-c1ccccc1 13524396 CBJKQSGSSUOQQG-UHFFFAOYSA-N 340.408 2.251 0 3 EEAF Cc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1 1857546518 JGHRNYHNWWKGEX-UHFFFAOYSA-N 342.399 2.040 0 1 EEAF Oc1ccc2c([C@H](O)CNCCOc3ccccc3)ccc(O)c2n1 1857593595 QWOHLTIRTAWJNE-QGZVFWFLSA-N 340.379 2.348 0 1 EEAF O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)Nc1ccc(F)c(F)c1 2457113 CIUVLWJGOTWEFU-DICSFEIXSA-N 346.333 2.101 0 1 EEAF COC(=O)c1cc(-n2cc(-c3ccc(OC)cc3)nn2)ccc1O 53276579 ADWMHENUVVSFAF-UHFFFAOYSA-N 325.324 2.435 0 1 EEAF COCCNC(=O)[C@]1(C)CCCN(C(=O)CCc2ccccc2)C1 61930499 XSJABKRPMIOSBD-LJQANCHMSA-N 332.444 2.011 0 3 EEAF CCOC(=O)C[C@@]12c3ccccc3C[C@@](O)(c3ccccc31)N2O 27885790 OPICCRRPMCDQMW-RTBURBONSA-N 325.364 2.289 0 1 EEAF Cc1ccc2oc(=O)cc(CN3CCN(C4=CC=C[CH]N4)CC3)c2c1 2356865094 CEAUMRXYJWWDPV-UHFFFAOYSA-N 336.415 2.382 0 1 EEAF O=C1C[C@@H]2C(=C3c4c2ccc(O)c4[C@@H](O)C[C@@H]3O)c2cccc(O)c21 14724610 PBYZCDIEUANPBF-LKTVYLICSA-N 336.343 2.490 0 1 EEAF biogenic O=C(O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 82081187 VIOVEZGANSSCOU-LLVKDONJSA-N 344.323 2.007 0 1 EEAF CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)-c1ccccc1C2 43060921 GJGCVIBJNFIRFA-UHFFFAOYSA-N 343.383 2.402 0 1 EEAF Cc1cnc(N(C)CCN(C)C)nc1NCCNc1ccccc1 82202320 AWHDHBOSNROLOT-UHFFFAOYSA-N 328.464 2.307 0 1 EEAF Oc1cc(O)nc(SCc2nc3cc(F)c(F)c(F)c3[nH]2)n1 586967009 RGQMHXLECSSSLM-UHFFFAOYSA-N 328.275 2.474 0 1 EEAF O=[S@@](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)CC1CC1 586958999 LFEWVTSWQDYSKP-HSZRJFAPSA-N 333.457 2.054 0 1 EEAF CCCCCn1c(=O)n(CC(=O)NC(C)(C)C)c(=O)c2ccccc21 1772648739 OCAQURGRCXRPCW-UHFFFAOYSA-N 345.443 2.268 0 1 EEAF C1CCCC(N2CN=C(N[C@H]3N[C@@H]4CCCC[C@H]4S3)NC2)CC1 169300421 VWYPFCRPUPGYHO-BFYDXBDKSA-N 337.537 2.406 0 1 EEAF COCCOC(=O)[C@H]1C(C)=Nc2nc(C)nn2[C@@H]1c1ccc(F)cc1 169686640 KWIXIUXLARHTGY-LSDHHAIUSA-N 346.362 2.227 0 1 EEAF CC[C@H](C)[C@H](NC[C@H](O)COc1ccccc1)C(=O)N1CCCC1 205126956 RBOIAMGOOLGCGW-BQFCYCMXSA-N 334.460 2.053 0 1 EEAF COc1cc2c(cc1OC)[C@H](C(CO)CO)N(C1CCCC1)CC2 261303660 DSOIHRKEFDANRP-IBGZPJMESA-N 335.444 2.146 0 1 EEAF CCCNc1ncc([C@H]2CC(=O)NCc3nc4ccccn4c32)cn1 65381076 LZSKFOLFTZSMLG-CYBMUJFWSA-N 336.399 2.098 0 1 EEAF COC(=O)CCN1CC(=O)N(c2ccc(Cl)cc2C)C1=S 27750889 FMGYNBINUGDUEK-UHFFFAOYSA-N 326.805 2.145 0 1 EEAF COc1c(C)cc([C@H]2O[C@H](CC(=O)O)C[C@@H](C)O2)c2c1C(=O)OC2 2356813752 BUFKSCQYVNMSCC-GPHJXTMHSA-N 336.340 2.341 0 1 EEAF CCc1coc(-c2cnn3c(=O)cc(-c4ccc5[nH]nnc5c4)[nH]c23)n1 143103158 KPFDWANTTFWXAT-UHFFFAOYSA-N 347.338 2.178 0 1 EEAF O=c1[nH]c(-c2ccc(F)c(S(=O)(=O)NC3CCCC3)c2)cs1 299867558 QHJIFVODZVWWOJ-UHFFFAOYSA-N 342.417 2.463 0 1 EEAF COc1ccc([C@H](O)[C@H](C)c2nc3c(O)nc(S)nc3[nH]2)cc1 587936907 MZCDMEYLOXVWSX-WRWORJQWSA-N 332.385 2.193 0 1 EEAF Cc1cncc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c12 587023837 JXIZECNNOVXWOZ-UHFFFAOYSA-N 346.416 3.056 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1 586950474 IBGFNZBDVKUSHR-UHFFFAOYSA-N 331.353 2.330 0 1 EEAF Cn1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 587275945 HODZYJNFVKSSQQ-UHFFFAOYSA-N 336.145 2.047 0 1 EEAF CCOC(=O)[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436356 OGQZETBKTOUTLO-KUHUBIRLSA-N 339.347 2.296 0 1 EEAF COc1cccc(CCc2nnc(CCC(=O)NC3CCC3)o2)c1 11997948 VHRXBTSSTGQZDL-UHFFFAOYSA-N 329.400 2.465 0 1 EEAF CCCCNC(=O)[C@@H]1c2ccccc2OCC(=O)N1CC(F)(F)F 169304055 VIFHNTDPAHXUBS-AWEZNQCLSA-N 344.333 2.427 0 3 EEAF CC(=O)NCCN(C(C)=O)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 169344994 KYMAMTVGBAAJTJ-PMACEKPBSA-N 340.423 2.446 0 1 EEAF O=C(COC(=O)[C@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1cccc(Cl)c1 169690096 MNBATSXGFCDNBK-LOPPZGBWSA-N 349.770 2.019 0 1 EEAF CCOC(=O)c1cnc2c(cc(OC)c3nnn(C)c32)c1OCC 1857575843 NJHHNKOSDCGZLH-UHFFFAOYSA-N 330.344 2.101 0 1 EEAF COC1=C2C=CO[C]2Nc2c1ccc(OC[C@@H](O)C(C)(C)O)c2OC 2356312695 FNGJBLNLYROCCJ-CYBMUJFWSA-N 348.375 2.022 0 1 EEAF O=C1[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 101372751 YWKKQTJSTXXAPM-XKGFGPFHSA-N 347.370 2.159 0 1 EEAF CCCCNC(=O)CCCOc1cc([C@@H]2CNC(=O)C2)ccc1OC 29240399 YLZGZAHCELCJBB-HNNXBMFYSA-N 348.443 2.374 0 1 EEAF CN(C)CCNC(=O)c1ccc2c(C(=O)O)c3ccccn3c2c1 113665222 OMVKEKNQENTGRO-UHFFFAOYSA-N 325.368 2.082 0 1 EEAF CC(C)(C)CCN[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cnc3ccccc32)[C@@H]1O 2356678875 WKAYACFEBOATIJ-SFFUCWETSA-N 345.443 2.088 0 1 EEAF COC1=C2C[C@@H](C(C)(C)O)O[C@H]2N(C)c2c1ccc(OC)c2OC 2356804067 AALRYELCQPWEHI-SUMWQHHRSA-N 335.400 2.397 0 1 EEAF CC[C@H](O)[C@H](C)CC[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)[C@@H]1O 34385886 JPTCXUSLJGJEHG-DRRIFGJNSA-N 325.493 2.326 0 1 EEAF C[C@@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)Nc1nccs1)C(=O)N2 195517988 RORFIKIEDJVZJB-XAGWURHQSA-N 329.381 2.110 0 1 EEAF O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccccc2F)C1)N1CCCCO1 96041259 DHMBUDVZUUNLQC-CGTJXYLNSA-N 348.418 2.359 0 1 EEAF Cc1cc(C)n2ncc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c2n1 95553032 IPHUEDLVHSXQGY-UHFFFAOYSA-N 344.396 2.002 0 1 EEAF C=CS(=O)(=O)N[C@@H]1CCN(Cc2c[nH]c3cccc(Cl)c23)C1 618020251 RLSNCMYJSDBTJK-GFCCVEGCSA-N 339.848 2.459 0 1 EEAF NS(=O)(=O)c1cccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587033954 AETHPWBKBSNCGI-NSHDSACASA-N 349.437 2.128 0 1 EEAF COc1cc(C(=O)O[C@@H]2CC[C@H]3CC[C@@H]2N3C)cc(OC)c1OC 1639499 RCYQXSCEIUPTHM-HZSPNIEDSA-N 335.400 2.494 0 1 EEAF COC[C@H]1CCCN1C(=O)c1c(-c2cccnc2)noc1[C@@H](C)O 2356302803 BYJWWMWOBWJEDB-DGCLKSJQSA-N 331.372 2.041 0 1 EEAF C[C@H](NC(=O)c1cc(C(=O)c2ccc(F)cc2F)c[nH]1)C(C)(C)O 53314279 ICJPMIDREVHXLH-VIFPVBQESA-N 336.338 2.413 0 1 EEAF CCCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1 52913672 VJANRDVJTYOXQP-GFCCVEGCSA-N 341.814 2.408 0 1 EEAF O=C(c1cccnc1)N1C[C@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356299055 UJXMIEABBDLNOY-XJKSGUPXSA-N 340.358 2.337 0 1 EEAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3cnccc3Cl)c2n1 28571385 ODLMPSPZVRPTQF-UHFFFAOYSA-N 347.810 2.011 0 1 EEAF CC(C)Nc1nc(-c2ccc([C@H](C)O)nc2)cc2ncn(C)c(=O)c12 115625551 BLMKVPAWKVJSDF-NSHDSACASA-N 339.399 2.264 0 1 EEAF CC[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3[C@H](C=N4)C[C@@H]2N(C)C1 2356811278 BMMFLSWFLUVBSZ-LWGWVAHUSA-N 339.439 2.091 0 1 EEAF Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]12 74377063 JAHICCTVJSVROO-IAGOWNOFSA-N 342.420 2.419 0 3 EEAF O=C(c1ccco1)N1CCN(Cc2coc(-c3ccco3)n2)CC1 72186288 QGFDSHGDZOFJNG-UHFFFAOYSA-N 327.340 2.486 0 1 EEAF CC(=O)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1 14728218 WJMRMTQQBTZCNV-IRXDYDNUSA-N 330.292 2.052 0 1 EEAF biogenic CN(C)CCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1 40420871 RULRLUFVKXIRNZ-UHFFFAOYSA-N 344.440 2.070 0 1 EEAF COc1cc2c(c(OC)c1OC)[C@@H](O)O[C@@H]1CC=C3CCN(C)[C@@H]3[C@@H]21 95884424 MNAREALDHXFRFJ-AGLNLLDASA-N 347.411 2.220 0 1 EEAF O=C1CC[C@@H](C(=O)N2CCc3sccc3[C@@H]2c2cccs2)NN1 618013332 SRAZJYGJZZXXAK-XHDPSFHLSA-N 347.465 2.067 0 1 EEAF CCS(=O)(=O)c1ccc2oc([C@H]3CCN(C(=O)C4CC4)C3)nc2c1 35442886 QIXAVGNQIFKZSA-LBPRGKRZSA-N 348.424 2.347 0 1 EEAF biogenic COc1ccc(C(=O)N2CCn3c(nnc3-c3ccccn3)C2)cc1 299864205 QUDRGKCUYXLVFJ-UHFFFAOYSA-N 335.367 2.005 0 1 EEAF COc1ccc(C=O)cc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587787160 QIJGVSFQDYZWJR-UHFFFAOYSA-N 330.365 2.455 0 1 EEAF CCCc1sc(N)nc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587013596 SHMBTYABPWKJPX-UHFFFAOYSA-N 329.385 2.552 0 1 EEAF CCOC(=O)C(=O)[C@@H]1CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587439939 DVIALYUYXSDINC-QUJCMNEKSA-N 344.363 2.114 0 1 EEAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cnnc(O)c3[nH]2)C(F)(F)C1 587131880 FHQCQIDCXFFLGH-SSDOTTSWSA-N 341.318 2.028 0 1 EEAF C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2c(N)ccc3nccn23)c1O 169727148 LCNVRUXNPOWVOK-IRXDYDNUSA-N 326.356 2.373 0 1 EEAF NC(N)c1ccc(OCCCCCOc2ccc(C(N)N)cc2)cc1 202573704 STAYMKSALAGMJF-UHFFFAOYSA-N 344.459 2.147 0 1 EEAF CCCCN1CCN(C(=O)c2cn([C@@H](C)c3ccccc3)nn2)CC1 203475649 AKLNHSDZXNKPEL-INIZCTEOSA-N 341.459 2.445 0 3 EEAF O=c1nc(COCc2ccccc2)[nH]n2c(C3CCOCC3)ncc12 205443385 VMVFYPHPPVZXMU-UHFFFAOYSA-N 340.383 2.028 0 1 EEAF COC(=O)c1ccc2nc(CO[C@@H]3CN(CC4CC4)C[C@H]3F)[nH]c2c1 2356302362 SVIYMOSQFPRCCU-CZUORRHYSA-N 347.390 2.298 0 1 EEAF CN1[C@H](COCc2ccc(-c3ccccc3)cc2)COCS1(=O)=O 58581049 OOIYNPUOJCLMMP-GOSISDBHSA-N 347.436 2.488 0 1 EEAF CCOC(=O)c1ccccc1NC(=O)Cc1c(C(=O)O)c(C)cn1C 8607665 BNRPLRPBVOGSFY-UHFFFAOYSA-N 344.367 2.390 0 1 EEAF C/C=C(\C)C(=O)O[C@H]1CCN2C[C@H]3C[C@H](CN4C(=O)CCC[C@H]34)[C@H]2C1 64622154 UPVPJQNTGLTBPC-SJCLNHAISA-N 346.471 2.360 0 1 EEAF in-vitro CNc1nc(NC)nc(Nc2ccc(-c3cnco3)c(OC)c2)n1 26263092 CUIZGYYAOXBYBL-UHFFFAOYSA-N 327.348 2.362 0 1 EEAF O=c1oc2cccnc2n1CN1CCN(c2cccc(Cl)c2)CC1 27557091 AQCJADZLKCFISG-UHFFFAOYSA-N 344.802 2.423 0 1 EEAF CC=C(C)C(=O)O[C@H](Cc1cc2c(cc1O)OC(=O)CC2)C(C)(C)O 2356471363 UNRHZLPQQCVZIH-MRXNPFEDSA-N 348.395 2.435 0 1 EEAF CC1(C)CCC[C@]2(C)[C@@H]1[C@H](O)C=C1[C@H](O)[C@H]3C[C@@]12CC[C@@]3(O)CO 2356528033 SFYFCRSKCFIBEC-DVIXLVCNSA-N 336.472 2.004 0 1 EEAF CC(C)N1C=C2C(=Nc3ccc(F)cc3N=C2N2CCN(C)CC2)N1 39336555 OUUAJIUTRKTKJF-UHFFFAOYSA-N 342.422 2.259 0 1 EEAF CC(C)NC(=O)c1nnc2n1CCN(Cc1cc3ccccc3o1)C2 74376481 OKVQQTRIRJNNPJ-UHFFFAOYSA-N 339.399 2.178 0 3 EEAF COc1cc2c(cc1O)O[C@H]1c3cc(O)cc(O)c3CO[C@@H]1C2=O 14559944 GYXFQXUNGYGMFB-DLBZAZTESA-N 330.292 2.027 0 1 EEAF biogenic Nc1scc2c(C(=O)NC3CC3)nn(-c3ccc(F)cc3)c(=O)c12 84711413 YLDONMOUAPUZEL-UHFFFAOYSA-N 344.371 2.061 0 1 EEAF NS(=O)(=O)c1cccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c12 587175171 RPKVRMUZGZZZKU-UHFFFAOYSA-N 344.371 2.422 0 1 EEAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cnn(C)c1)[C@@H](C2)C3=O 587430813 HJHSFCJLSONENX-OHLRXGENSA-N 339.395 2.147 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN(C)CCO)N1 587738946 DOFBDHSYTCKXRF-MEBBXXQBSA-N 345.256 2.262 0 1 EEAF CCOC(=O)CNc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1 587223257 BDXBVEHBRMZEAI-UHFFFAOYSA-N 338.367 2.304 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ncccn1)O2 587389112 IOGDIGCKKAEZMA-QGZVFWFLSA-N 326.356 2.120 0 1 EEAF CON(C)C(=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757392 USQMYGCWGAIVPS-CLAHSXSESA-N 345.212 2.357 0 1 EEAF COC(=O)CC[C@H](C(=O)OC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397708 ANBJSIQEKHBJMD-XIKOKIGWSA-N 349.383 2.044 0 1 EEAF CCS(=O)(=O)c1ccc2nc(CSC(C)(C)C(=O)O)[nH]c2c1 586960387 VBOKINMGICTWHN-UHFFFAOYSA-N 342.442 2.453 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnnn2C)N1 587758400 ITMMGBUIKDYQQG-UHLUBPPHSA-N 325.185 2.340 0 1 EEAF CN1C(=O)C[C@@H]2CN[C@@]3(C[C@@H]4C[C@@H](C(=O)O)C[C@@H]4C3)c3cccc1c32 963015796 BFXPGMXNFLOHHO-YHKDWZFZSA-N 340.423 2.456 0 1 EEAF CCOCCCN1CC[C@@]2(NCCc3c(C(=O)O)cccc32)[C@@H](C)C1 963130458 JBCZTNZVFDXBPO-MGPUTAFESA-N 346.471 2.494 0 1 EEAF COc1c(O)c2c3c([n+](C)ccc3c1OC)C(=O)c1cccc(O)c1-2 14610311 FMFONBQGMMIROU-UHFFFAOYSA-O 338.339 2.304 0 1 EEAF CCCCCCN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(C2CC2)n1 2356365493 MZDZAWBRZFJJKT-HCXYKTFWSA-N 347.503 2.424 0 1 EEAF CC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCc1cccnc1 27558382 OETFRCASQSHMLL-OAHLLOKOSA-N 346.427 2.164 0 1 EEAF COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1ccccc1)[C@H](O)C2 61959112 QJUWOVUXRVLWPC-OXQOHEQNSA-N 341.407 2.411 0 3 EEAF CC[C@]12CCCN3CCC(=O)c4ccccc4N(C(=O)[C@H]31)[C@H](O)C2 2356561144 QUTCWFPVUVMVTM-ZIFCJYIRSA-N 328.412 2.189 0 1 EEAF CC(C)(C)c1ccc(C(=O)NN2C(=O)N[C@]3(CC3(C)C)C2=O)cc1 66252208 FFVXCUFOMLVYKI-GOSISDBHSA-N 329.400 2.349 0 1 EEAF C[C@@H]1OC2(CCN(CCc3c[nH]c4ccccc34)CC2)CNC1=O 27902786 TWXMNMCWVZGJOB-AWEZNQCLSA-N 327.428 2.080 0 1 EEAF Cn1c(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)cc2ccccc21 64528049 IYFKRIWGRGFLBL-UHFFFAOYSA-N 332.367 2.312 0 1 EEAF C=C1C(=O)O[C@@H]2C[C@]3(C=O)C=COC=C(COC(=O)C(C)C)[C@@H]3C[C@@H]12 15157591 WEJGAPVLRYMYJQ-GGXPGOJBSA-N 346.379 2.307 0 1 EEAF biogenic O=C(C[C@@H]1CCCN1)Nc1ccc(C(=O)Nc2nccs2)cc1 299857125 CPCOVXCUVCIEEO-ZDUSSCGKSA-N 330.413 2.476 0 1 EEAF O=S(=O)(c1ncccc1-c1nc2ccncc2[nH]1)C(F)(F)F 587126903 HUPCJPLLOSAHRH-UHFFFAOYSA-N 328.275 2.313 0 1 EEAF CCCCCn1c(=O)n(CC(=O)NCCCC)c(=O)c2ccccc21 1772610654 OJQIDAOYWXJHKW-UHFFFAOYSA-N 345.443 2.270 0 1 EEAF CN(C(=S)Nc1ccccc1)[C@@H]1CC[C@H](C2OCCO2)C[C@@H]1O 4116766 MSOCHUTXXFQEET-CFVMTHIKSA-N 336.457 2.218 0 1 EEAF Oc1c2nc3ccc(F)cc3c-2ncn1CCCN1CCOCC1 8579994 LSKHYZWATUNEAT-UHFFFAOYSA-N 330.363 2.103 0 1 EEAF COC(=O)c1c(C(C)(C)C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 28104884 FZEQIOHXXIWEJI-UHFFFAOYSA-N 345.182 2.498 0 1 EEAF Nc1cccc(-c2cn(-c3ccc4c(c3)C=CS(=O)(=O)O4)nn2)c1 103241890 RQXFGONOXLCUKH-UHFFFAOYSA-N 340.364 2.209 0 1 EEAF O=P(O)(O)C(F)(F)c1cccc(C(F)(F)P(=O)(O)O)c1 27564236 OOABNJOEFCSXGI-UHFFFAOYSA-N 338.086 2.141 0 1 EEAF CC1(C)[C@@H]2C(=COc3ccccc32)[C@@H]2C(=O)C[C@@]3(O)C[C@@H]1[C@H]2[C@H]3O 2356706352 CKEZIBBDMDFHQQ-UUMXBMEMSA-N 326.392 2.403 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45c6ccc(OC)cc6N(C)[C@@H]4[C@H]2C[C@H]1[C@H]3[C@@H]5O 2356781842 JNJWVFXAUHZWHI-SZTFBZTMSA-N 338.451 2.165 0 1 EEAF Cn1c(NCC(=O)c2cccc(F)c2)nc(-c2ccncc2)cc1=O 34006054 WWOZDPAURXVZCX-UHFFFAOYSA-N 338.342 2.276 0 1 EEAF COC(=O)c1c(O)c2ncsc2n(Cc2ccc(OC)cc2)c1=O 35010287 MWVNIZZJLUUMEE-UHFFFAOYSA-N 346.364 2.007 0 1 EEAF Oc1ccc(CC[C@@H]2C[C@H](O)[C@H](O)[C@H](c3ccc(O)cc3)O2)cc1 13384939 RBJGEWFAPDFFEA-XWSJACJDSA-N 330.380 2.282 0 1 EEAF biogenic C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CC(F)(F)F 199215012 QPDAJEVIDJKFRS-AWEZNQCLSA-N 339.321 2.121 0 3 EEAF CCCCn1c(=O)n(C)c2ccc(C(=O)c3c(C)nn(C)c3O)cc21 299871078 XRKIROBCKYJLGK-UHFFFAOYSA-N 342.399 2.119 0 1 EEAF COC(=O)[C@@H]1C[C@]23CC[C@@]14Nc1ccccc1[C@@]41CCN(C(=O)C2)[C@@H]31 653719479 APNXUVLTFIAEJM-NIOVVQFOSA-N 338.407 2.066 0 1 EEAF CCOc1ccccc1[C@](N)(c1nc2ncc[nH]c-2n1)C(F)(F)F 587091464 DJWFWCMWZCKQBU-AWEZNQCLSA-N 337.305 2.468 0 1 EEAF Nc1nccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587084454 AVXQFGLRFGIWSC-UHFFFAOYSA-N 329.795 2.368 0 1 EEAF Nc1ncc2c(n1)C[C@H](c1ccco1)C[C@@]21NCCc2ccc(O)cc21 963342805 TWRDHJPNHQCLQA-RBZFPXEDSA-N 348.406 2.477 0 1 EEAF c1ccc(CN2CCC3(CC2)NCCc2nc4ccccn4c23)nc1 962988176 XDDFPHWEFQNHDY-UHFFFAOYSA-N 333.439 2.366 0 1 EEAF C[C@@]1(c2cc(CC(=O)O)cs2)NCCc2c(C(=O)O)cccc21 963131773 OKEKWNTZSKMGMN-QGZVFWFLSA-N 331.393 2.483 0 1 EEAF COc1cc2c(cc1OC)[C@H](C(=O)NC(C)C)[C@@H]1CCCCN1C2=O 5033969 YYTKSKISDNZTOL-YOEHRIQHSA-N 346.427 2.320 0 3 EEAF COc1cccc(CN2C[C@H](C(=O)N3CCSCC3)CCC2=O)c1 12593740 NTBAIMZBNZUSMZ-OAHLLOKOSA-N 348.468 2.009 0 3 EEAF CC(=N)N1CCC(COc2ccc3c(c2)CN(C(=N)N)CC3)CC1 13644357 HQONWVCASNZFER-UHFFFAOYSA-N 329.448 2.026 0 1 EEAF O=C(O)C[C@@H]1SC2=NCCCN2[C@]1(O)c1ccc(Cl)cc1 169332272 ZSUCTQUJRLBAJE-FZMZJTMJSA-N 326.805 2.137 0 1 EEAF O=C(N[C@@H]1CCCCNC1=O)c1ccc2[nH]nc(-c3ccncc3)c2c1 205037610 AMFJMDIQTRSKQE-MRXNPFEDSA-N 349.394 2.023 0 1 EEAF CCC(CC)C(=O)Nc1nnc(SCC(=O)NC2CC2)s1 1371484 RNDQPCDKJQGFSJ-UHFFFAOYSA-N 328.463 2.284 0 3 EEAF CCCCOC(=O)CC[C@]1(C(=O)O)OC(=O)C(O)=C1c1ccccc1 2356324881 UYFHDPQUHCRWMW-SFHVURJKSA-N 348.351 2.459 0 1 EEAF COc1ccc(OC)c2c1C[C@H](O)[C@@H](NCCc1ccccc1)C2 27712373 YAAPKISLLAABEK-ROUUACIJSA-N 327.424 2.364 0 1 EEAF COc1cc2c(cc1O)O[C@@H]1c3cc(O)cc(O)c3CO[C@@H]1C2=O 14559949 GYXFQXUNGYGMFB-IAGOWNOFSA-N 330.292 2.027 0 1 EEAF biogenic COc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1 40864215 ZPOFECDYIXUBJD-UHFFFAOYSA-N 338.371 2.308 0 1 EEAF Cc1cc2c(cc1C)=N/C(=C1/N=NNN1c1c(C)cccc1C)C(=O)N=2 199202652 BXWJBBRNLFDVOI-VLGSPTGOSA-N 346.394 2.261 0 3 EEAF O=C(CO)Nc1ccc2c(=O)n(Cc3cccc(Cl)c3)cnc2c1 40875832 XCOZALYGLIYXBZ-UHFFFAOYSA-N 343.770 2.029 0 1 EEAF COc1ccc(CCNC(=O)/C=C/c2ccc(O)c(OC)c2)cc1O 95620489 ACSWAJLDOHJFNA-VMPITWQZSA-N 343.379 2.487 0 1 EEAF endogenous,in-man COc1ccc2c(c1OCCCCO[N+](=O)[O-])CO[C@H](C)C2=O 95562603 XRWZQHODIFODLE-SNVBAGLBSA-N 325.317 2.164 0 1 EEAF C[C@@]12CC(=O)c3occc3[C@H]1CC[C@]13C[C@](O)(CO)[C@@](O)(CC[C@H]12)C3 473128048 YDESRUMIEMCEJF-WCQUAJJMSA-N 346.423 2.394 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN[C@@H](C(=O)O)[C@@H]2C1 587481650 GWZHPCTVXOSPHW-OCVJNQOPSA-N 345.395 2.131 0 1 EEAF COC(=O)c1cc2[nH]c(-c3cnc(N(C)C)nc3C)nc2cc1OC 587194503 HCSUSNYZLGIZGR-UHFFFAOYSA-N 341.371 2.190 0 1 EEAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(C(N)=O)cc3[nH]2)c1 586921806 NAIYMAHIFCOUJI-UHFFFAOYSA-N 343.408 2.046 0 1 EEAF COC(=O)c1ccnc2nc(-c3c(C=O)ccc(OC)c3OC)[nH]c12 587798314 UQYDMQDCHRPGNC-UHFFFAOYSA-N 341.323 2.241 0 1 EEAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cnc(N)cc3[nH]2)cc1 586938078 IQQJMSJIFHKYBS-JTQLQIEISA-N 345.428 2.284 0 1 EEAF Cc1c(O)ccc2c1[C@](C)(c1cccc3[nH]ncc13)N[C@H](C(=O)O)C2 963522744 GRVCMPPKELWBJP-KXBFYZLASA-N 337.379 2.439 0 1 EEAF COc1cc(C(=O)O[C@H]2CC[C@@H]3CC[C@H]2N3C)cc(OC)c1OC 5941743 RCYQXSCEIUPTHM-MJBXVCDLSA-N 335.400 2.494 0 1 EEAF O=C(O)[C@H]1[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H]2C=C[C@H]1O2 326779800 OKGKHPUWMCLYII-DDHJBXDOSA-N 343.257 2.178 0 1 EEAF C[C@@]1(C(=O)NCc2cccnc2)CCN1C(=O)c1cccc(F)c1 61928448 XGLSCEDLSGNURV-SFHVURJKSA-N 327.359 2.142 0 3 EEAF CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 56696711 PZBCKTIMSCNDIQ-OAHLLOKOSA-N 339.848 2.316 0 3 EEAF COC(=O)[C@H](Cc1ccccc1)N=[S@@](N)(=O)CCc1ccccc1 100830401 SBYLPUHOJODCBD-BXKMTCNYSA-N 346.452 2.355 0 1 EEAF Cn1ccnc1CN1C[C@H](F)[C@H](OCc2nc3ccccc3o2)C1 2356299349 HAZDRBQLVUNTKV-SWLSCSKDSA-N 330.363 2.300 0 1 EEAF C[C@@H]1C=C(OC=C2C(=O)O[C@@H]3C4=C(C[C@@H]23)[C@H](O)CCC4(C)C)OC1=O 2356598783 ARGBKKMNXCMJSK-QDRWXPAPSA-N 346.379 2.344 0 1 EEAF O=C([C@H](c1ccccc1)n1cnnn1)N1CCCC[C@@H]1c1cccnc1 504253238 HLCKOEPGFMPJLQ-MSOLQXFVSA-N 348.410 2.411 0 1 EEAF biogenic CC1(C)C=C(C(=O)NCCCCNC(=O)c2cccs2)C(C)(C)N1 40640700 OLLGZTOYURHFPU-UHFFFAOYSA-N 349.500 2.461 0 1 EEAF CCOc1nn2c(CCC(=O)c3nc4ccccc4[nH]3)nnc2s1 95586807 JZTMZYXKNMJQFZ-UHFFFAOYSA-N 342.384 2.276 0 1 EEAF CN1CCO[C@H]2CN(C(=O)c3ccc4ncccc4c3)CC[C@@H]2C1 299843926 ZVBVTOABVBHFTQ-AEFFLSMTSA-N 325.412 2.028 0 1 EEAF COC(=O)c1ccc2nc(-c3cccc(N)c3C(=O)O)[nH]c2c1OC 587248258 KEQJOWQFJXTXCU-UHFFFAOYSA-N 341.323 2.306 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)CC(NNc1ccc(F)cc1)=CC3 587368949 BTVNZDVIQQINOO-UHFFFAOYSA-N 339.330 2.174 0 1 EEAF COC(=O)c1cc2[nH]c(-c3nc(Cl)cnc3N)nc2cc1OC 587088211 VHQKQQCROFZCIB-UHFFFAOYSA-N 333.735 2.051 0 1 EEAF CON(C)C(=O)[C@H](CC(C)C)NC(=O)c1cc(Cl)ccc1O 1772578612 ZOMJVESYTMWQOG-LBPRGKRZSA-N 328.796 2.210 0 1 EEAF O=C(NCC1CCNCC1)[C@H]1Cc2c(sc3ccccc23)CN1 13833806 HCLZMTJXGVTZCS-OAHLLOKOSA-N 329.469 2.031 0 1 EEAF COc1ccc(NC(=O)c2c(C)[nH]n(-c3ccccn3)c2=O)cc1F 169330563 WWMKPXMZXYVXRM-UHFFFAOYSA-N 342.330 2.269 0 1 EEAF N=c1[nH]c(=N)c2nc(Nc3ccc(OC(F)(F)F)cc3)ccc2[nH]1 1857568953 AZYLXOMAQJPRBN-UHFFFAOYSA-N 336.277 2.492 0 1 EEAF O[C@H](CNC[C@@H]1COc2ccccc2O1)COCc1cccs1 2638520 DKUJYDJVRJCUMJ-ZIAGYGMSSA-N 335.425 2.055 0 3 EEAF CC1=CC2=c3cc(C)cc(C)c3=N[C@@H](c3ccc4c(c3)OCO4)N2N1 104008915 PEWVISZKVYYVNV-HXUWFJFHSA-N 333.391 2.196 0 3 EEAF CO[C@@H]1C=C[C@](C)(O)CCC(=O)O[C@H](C)[C@H](C)[C@@H](O)CC=C1C 2356671689 HYUFUJWFFITERP-WXQHOCMDSA-N 326.433 2.368 0 1 EEAF CC(C)(C)CCN[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cnc3ccccc32)[C@@H]1O 2356678877 WKAYACFEBOATIJ-ZKXLYKBJSA-N 345.443 2.088 0 1 EEAF CC(C)C=C1NC(=O)[C@@H](C(C)C)n2c1nc1c(c2=O)C=CC=CO1 2356713230 CCHUDPANZXHQCS-CQSZACIVSA-N 327.384 2.486 0 1 EEAF CN1C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]1Cc1c[nH]c2ccccc12 13429873 XTHCOAZHAYZMDV-RTBURBONSA-N 347.418 2.279 0 1 EEAF biogenic CC(C)c1cccc(C(C)C)c1OC(=O)COC(C(=O)O)C(=O)O 1911578639 VPSODGBZWJMRDN-UHFFFAOYSA-N 338.356 2.393 0 1 EEAF COc1cc2c3c(c1)O[C@]1(CCCc4c1ccc(=O)n4C)[C@@H](C2)C3=O 587435771 JYBMHKHANBUOPP-XOBRGWDASA-N 337.375 2.373 0 1 EEAF CCOC(=O)COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587553200 AIYQWQLOMRCPDR-UHFFFAOYSA-N 341.323 2.045 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ncccn1)[C@@H](C2)C3=O 587431569 HKEOSAHTZNMFKG-KPZWWZAWSA-N 339.351 2.020 0 1 EEAF COc1ccc(S(=O)(=O)Cc2nc3ccc(C(=O)O)cc3[nH]2)cc1 586920332 IRRLCYYIRGHSJK-UHFFFAOYSA-N 346.364 2.244 0 1 EEAF N=c1[nH]cc2nc(Cn3c(-c4cscn4)nc4ccccc43)nc-2[nH]1 587028890 BGCDUHLSBGWTGT-UHFFFAOYSA-N 348.395 2.239 0 1 EEAF O=C1C[C@H](c2nc3ccnc(O)c3[nH]2)CN1Cc1ccc(F)cc1F 587150703 TWBMRNFRKFJKIP-JTQLQIEISA-N 344.321 2.458 0 1 EEAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cncnc2[nH]1 586973934 SGHODWGVIDSFEH-AWEZNQCLSA-N 327.413 2.464 0 1 EEAF CCOC(=O)[C@H](CC)[C@@]1(COC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438790 IAJYDEKCVQPESL-IQUTYRLHSA-N 348.395 2.417 0 1 EEAF CCNC(=S)Nc1ncnc2c1cnn2CCN1CCCCCC1 205838185 QVDZEHVSVYRIBL-UHFFFAOYSA-N 347.492 2.009 0 1 EEAF CCOC(=O)c1cc2c3c(c(C(C)=O)c(O)c2[nH]1)N(C(C)=O)CC3 5922320 AQWGSVAKLBKKKV-UHFFFAOYSA-N 330.340 2.162 0 1 EEAF COc1ccc(CCNC(=O)CCc2ccccc2CO)cc1OC 1650686 LRQXTYHYVUYFHP-UHFFFAOYSA-N 343.423 2.488 0 1 EEAF C[C@H](CCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O 2356345240 NEVPBIQTDNVVMK-WVCIDPQESA-N 330.421 2.230 0 1 EEAF Cc1ccsc1C(=O)N1CC[C@]1(C)C(=O)NCc1cccnc1 61929676 XYWZHRGIMMLMLD-QGZVFWFLSA-N 329.425 2.373 0 3 EEAF CC[C@@H](C(N)=O)N1C[C@@H](c2ccccc2Br)CC1=O 34028402 CMGYTWWVFFCIAP-CABZTGNLSA-N 325.206 2.029 0 1 EEAF Cc1nc(N)c2c(n1)sc1c(=O)n(-c3ccc(F)cc3)cnc12 49109933 QNIMPINSILUXLM-UHFFFAOYSA-N 327.344 2.420 0 1 EEAF CCc1cnc(N2C[C@H](OCc3csc(C)n3)[C@H]3COC[C@H]32)nc1 96064182 YXDCAGRUYQZWTO-XHSDSOJGSA-N 346.456 2.224 0 1 EEAF COC(=O)c1ccc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2c1 587249364 JLQBICKNPWFKEM-UHFFFAOYSA-N 325.324 2.226 0 1 EEAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cccnc2[nH]1 587203759 SZIXFEYYEKKKRV-CYBMUJFWSA-N 340.339 2.400 0 1 EEAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(F)c(N)c3)[nH]c12 587140142 GZVRNXRLZHBDFO-UHFFFAOYSA-N 334.376 2.202 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)CC[C@](O)(c1cccc(Cl)c1)C3 587368896 REUWPFUNZINTJN-QGZVFWFLSA-N 343.770 2.466 0 1 EEAF NS(=O)(=O)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 587032526 XQTIWZMTWBHBJP-UHFFFAOYSA-N 335.410 2.012 0 1 EEAF Cc1c(O)ccc2c1[C@@H](c1ccc3cn(C)nc3c1)N[C@H](C(=O)O)C2 963557571 XSEZRWFREPSXBA-MAUKXSAKSA-N 337.379 2.276 0 1 EEAF CCCCCCC[C@@H](O)CC[C@H](NC(=O)C(C)(C)CO)C(=O)OC 200290616 MNERJHYWFIOPJM-CABCVRRESA-N 345.480 2.164 0 1 EEAF CC(=O)[C@@H]1[C@@H](O)C(=O)N(c2ccc(C(=O)O)cc2)[C@H]1c1ccccc1 102239964 CBTBGCPAOMXRGA-YESZJQIVSA-N 339.347 2.039 0 1 EEAF CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccco2)c1 116578468 PNDNRHVBNNBHFQ-UHFFFAOYSA-N 335.360 2.239 0 1 EEAF CN1C(=O)C(O)=C(C(=O)NCc2ccc(F)cc2)[C@@H]1c1ccccc1 40409696 UYCSYTRZTJNYPC-INIZCTEOSA-N 340.354 2.467 0 1 EEAF CCOC(=O)C1=C(O)[C@H]2[C@@H]3C[C@@H]4[C@H]2C(O)=C(C(=O)OCC)[C@@H]2[C@@H]1[C@@H]3[C@H]24 263596887 GDMNLDOPKZZEJL-AAXWGSBWSA-N 346.379 2.125 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(CN=CNc3[nH]cnc31)CC2=O 587483574 LDLZSCJDOSZLIE-QGZVFWFLSA-N 326.356 2.382 0 1 EEAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cncnc3[nH]2)C(F)(F)C1 587132246 OENWPCUCGFGIDG-QMMMGPOBSA-N 325.319 2.323 0 1 EEAF C[C@@H](O)c1ncc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)s1 587021088 FIDIUGIHLDHRRW-LLVKDONJSA-N 343.456 2.492 0 1 EEAF CCOC(=O)c1cc(-c2ccc3c(O)nc(O)nc3n2)c(C)nc1C 587557014 FGNWCTXGUHCKPK-UHFFFAOYSA-N 340.339 2.292 0 1 EEAF CC(=O)NC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587752218 DESFRTURDDUQPQ-XLKFXECMSA-N 329.213 2.474 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4nn[nH]n4)c1)[C@@H](C2)C3=O 587442509 YNXKHBRIVZCQGC-GUYCJALGSA-N 334.335 2.364 0 1 EEAF Cc1cnc(Cl)nc1[C@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963511014 RMUJNEXVHDVDLH-APPDUMDISA-N 347.802 2.315 0 1 EEAF C[C@]1(c2cnc3sccn3c2=O)c2ccsc2CCN1C(N)=O 962705825 HAIZORDFPSUGIM-OAHLLOKOSA-N 346.437 2.018 0 1 EEAF CC[C@H](C)N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@H]3C1=O 169687734 WBTXSYLBOXAEQH-NRJZREQNSA-N 341.407 2.310 0 1 EEAF Cc1cccc(C[C@H]2O[C@]3(C)O[C@@]24[C@@H]([C@@H](O)[C@H](O)C4(C)C)[C@H]3C)c1 1857571567 NDPVYKDORPXALK-BJKYDIMVSA-N 332.440 2.435 0 1 EEAF COc1cc2c(c(OC)c1OC)C(=O)O[C@H]1CC=C3CCN(C)[C@H]3[C@@H]21 6452168 OXFLPPXWFHSXSK-DUVNUKRYSA-N 345.395 2.369 0 1 EEAF COC(=O)C[C@@H]1c2ccccc2N=C(N2CCOCC2)N1C(C)C 27081666 XKCRSIPYWCMFEZ-MRXNPFEDSA-N 331.416 2.335 0 1 EEAF CC1(C)CCC[C@]2(C)[C@@H]1[C@H](O)C=C1[C@H](O)[C@H]3C[C@@]12CC[C@]3(O)CO 2356528035 SFYFCRSKCFIBEC-QMBFBYQJSA-N 336.472 2.004 0 1 EEAF COC(=O)[C@]1(C)C=CC[C@]2(C)c3ccccc3[C@@](O)(C(=O)OC)[C@H]21 2356694725 DYTMETPHCBJJLH-AXUOBQJMSA-N 330.380 2.074 0 1 EEAF COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](OC)C2=O 2356759030 BNRZDUDNTAQLFH-MSOLQXFVSA-N 346.335 2.446 0 1 EEAF CCCc1cc(O)c2c(c1-c1cc(O)cc(=O)o1)C[C@@H](O)CC2=O 14650431 IJTJWRLJKDGQIG-SNVBAGLBSA-N 330.336 2.160 0 1 EEAF biogenic COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1[C@@H](C2)NC[C@@H]3O 13384145 PHYCJVQUJONSNZ-OLZOCXBDSA-N 343.379 2.319 0 1 EEAF biogenic CCN=c1cc(C)nc(N2CCN(Cc3ccc(F)cc3)CC2)[nH]1 1911586662 JCPKYCBGVOSIGA-UHFFFAOYSA-N 329.423 2.100 0 1 EEAF C/C=C(\C)C(=O)O[C@H]1CCN2C[C@H]3C[C@H](C(=O)N4CCCC[C@@H]34)[C@H]2C1 238766033 WSSVDOWLXBYLHU-YBRVUSPGSA-N 346.471 2.360 0 1 EEAF O=C(C1CC=CC1)N1C[C@H]2OCCN(Cc3ccsc3)C[C@@H]2C1 299842409 PQNLJKHVBARITE-IAGOWNOFSA-N 332.469 2.374 0 1 EEAF C/C=C\[C@@H]1Oc2ccc(OC)cc2N2C(=O)[C@H](C)[C@H](OCOC)[C@H]12 299813991 BSKPAPARTCMSGM-WKOYXARDSA-N 333.384 2.373 0 1 EEAF CC(C)(CO)NC(=O)c1nn(-c2cc(F)ccc2F)c2c1C[C@H]1C[C@@H]21 299821639 LOPPWNUZPHTWQM-MWLCHTKSSA-N 347.365 2.311 0 1 EEAF O=C(Cc1ccccc1)NCCc1nc2cc3c(cc2[nH]1)OCCO3 587228831 RVKDOYDNTCBIGH-UHFFFAOYSA-N 337.379 2.236 0 1 EEAF CS(=O)(=O)/C=C\c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586922746 CBEAFHBGVWTXOM-IHWYPQMZSA-N 345.174 2.039 0 1 EEAF CC1=C[C@H](O/C=C2\C(=O)O[C@@H]3[C@H]2C=C2CCCC(C)(C)[C@]23O)OC1=O 14416217 FIKOOQXJBAJJSE-LRPHEBJFSA-N 346.379 2.139 0 1 EEAF endogenous,in-man O=C1CC[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 169306091 XNXORWDKIQPSNX-FQZPYLGXSA-N 325.408 2.411 0 1 EEAF Cc1cc(=O)n2c(C)cc3c(OCCNCCN(C)C)ccc1c32 169310486 LIAXULDRUSKZEQ-UHFFFAOYSA-N 327.428 2.037 0 1 EEAF COC(=O)[C@@H]1C2=Nc3ccccc3[C@]23CCN2C[C@@H](C(C)=O)[C@H]1C[C@@H]23 169723799 JRBVRMFUVVDJAE-LHNCJSNSSA-N 338.407 2.113 0 1 EEAF N=C(N)Nc1cccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)c1 58482370 FOYRFLMZVXPASD-LSDHHAIUSA-N 338.367 2.432 0 1 EEAF COc1ccc([C@@H](CN(CCO)CCO)c2ccccc2)cc1OC 26007711 XOEOBVVYVPWPJB-SFHVURJKSA-N 345.439 2.122 0 1 EEAF CCOC(=O)[C@]1(C)CCCN1C(=O)c1cncc(Br)c1 61902936 KYRPXCDOSHCSSZ-AWEZNQCLSA-N 341.205 2.402 0 3 EEAF C[C@H](O)[C@H]1CC(=O)[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C=C1C[C@H]3O 2356501826 OASBCMLUEZFXHQ-WMZSSSBVSA-N 348.483 2.457 0 1 EEAF CC(C)NC(=O)[C@]1(C)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61930542 PQJHMHJYIJJJJM-IBGZPJMESA-N 339.395 2.066 0 3 EEAF C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@@H]2CC(C)=C2CC[C@@H](O)[C@]21C 15115608 RMPQKZFNZPUCJG-HLTONANMSA-N 332.396 2.453 0 1 EEAF biogenic COc1cccc2c1[C@H](O)[C@]1(O)CCC3=C(C(=O)C[C@H](C)C3)[C@@H]1[C@H]2O 14850580 GOUAMPBBOSYLQB-YZIYKVBESA-N 344.407 2.212 0 1 EEAF biogenic Cc1ccc(N2CCN(CCNC(=O)c3ccncc3)CC2)c(C)c1 84835275 QXFYHNDFNOKMNU-UHFFFAOYSA-N 338.455 2.250 0 1 EEAF Cc1noc(-c2ccc(N3C[C@@H](Cn4cccn4)OC3=O)cc2F)n1 96928832 DTRDSLQAYSGSAU-GFCCVEGCSA-N 343.318 2.406 0 1 EEAF CN1[C@H](C(=O)NCc2ccco2)C[C@H]2Cn3c(nc4ccccc43)[C@H]21 253986703 BONJMOFQSPXJNS-ZLIFDBKOSA-N 336.395 2.321 0 3 EEAF CCO[C@H](C)/C=C/C=C/[C@H](O)CC/C=C/C(=O)NCC(C)(C)O 653690515 OZMRSUOXUTZPNR-LGSKUJHNSA-N 325.449 2.108 0 1 EEAF C[C@@H]1NC=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587798032 UDVQSPKESDEHNZ-OLBFVZFUSA-N 339.208 2.392 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CCOC[C@H]1C(=O)OC)CC2=O 587482231 DFAOBEXIWIUFHM-SCLBCKFNSA-N 334.368 2.258 0 1 EEAF Cc1cc2c(cc1O)[C@@H](c1cn3cccc(C)c3n1)N[C@H](C(=O)O)C2 963507110 HUQQWRWREMBXOC-YOEHRIQHSA-N 337.379 2.345 0 1 EEAF O=C(c1cnsn1)N1CCC(CO)(Cc2cccc(F)c2)CC1 13593511 AYGCJLQKAWYABE-UHFFFAOYSA-N 335.404 2.135 0 3 EEAF C[C@@]1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccc2c(c1)OCO2 218276 RPAXKXSTNPMHIF-IBGZPJMESA-N 344.411 2.355 0 3 EEAF Cc1c(C(N)=O)sc2nc(S)n(Cc3ccccc3)c(=O)c12 103004097 UXQJQCWVFKADFX-UHFFFAOYSA-N 331.422 2.202 0 1 EEAF COc1cc2c(cc1O)[C@H]1Cc3ccc4c(c3C[C@H]1NC2)OCO4 2356489703 GXFZPZAWQYQWSW-HUUCEWRRSA-N 325.364 2.484 0 1 EEAF COc1cc(O)c2c(c1O)[C@H](OC)[C@@H]1C[C@@](C)(OC)OC[C@@H]1C2=O 2356418068 WIJFPHJXBDLXRE-HUIHUXAKSA-N 338.356 2.006 0 1 EEAF OCCN1CCN([C@@H]2Cn3cccc3Sc3ccc(F)cc32)CC1 22925253 YHNPEPCGBKSLOS-MRXNPFEDSA-N 347.459 2.443 0 1 EEAF CCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](C)C[C@@H](C)C(=O)O 28264173 FYGXHTCBEFEFEV-ZOWXZIJZSA-N 333.384 2.254 0 1 EEAF CCC(=O)C1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 29220114 HQZLWLLFEUEKQO-UHFFFAOYSA-N 344.415 2.425 0 1 EEAF COc1c2occc2c(CN2CCN(C)CC2)c2ccc(=O)oc12 22036048 OINNWZSKOOEYQP-UHFFFAOYSA-N 328.368 2.295 0 1 EEAF Oc1c2c(nn1-c1ccc(OC(F)F)cc1)[C@@H]1COCC[C@H]1N=C2 27088417 QVOYXYWXOMVGNY-CHWSQXEVSA-N 335.310 2.484 0 1 EEAF CCCNC(=O)[C@H](Cc1ccccc1F)NC(=O)c1ccccn1 36389129 UFZWBWHQNILYST-INIZCTEOSA-N 329.375 2.088 0 3 EEAF Nn1c(CS(=O)(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1 40616221 LHKPVQKUCRYDKJ-UHFFFAOYSA-N 348.815 2.286 0 1 EEAF O=C1C[C@H]2OC=C[C@@H]3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 238755115 AVYUKZRROFQFPA-NZPOUFJHSA-N 334.419 2.296 0 1 EEAF O=C(NC1(c2ncco2)COC1)c1cc(OCC2CC2)c(Cl)cn1 149229262 SHLITYBDGWBEJY-UHFFFAOYSA-N 349.774 2.167 0 1 EEAF CN(C(=O)OC(C)(C)C)[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587368825 ACRQGHNOPVHOPC-SNVBAGLBSA-N 346.387 2.160 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3cnnn3)cc1)O2 587390253 GAJRSIVSMPFCHA-GOSISDBHSA-N 335.367 2.434 0 1 EEAF CCOC(=O)Cc1nc2ccc(I)cc2[nH]1 587777334 FHQCNCHRCTYTHV-UHFFFAOYSA-N 330.125 2.273 0 1 EEAF Nc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cn1 587147824 BSPHTAJDCUJDOR-JTQLQIEISA-N 343.337 2.334 0 1 EEAF COc1ccc(-c2csc(-c3c(O)cn(N)c3N)n2)cc1OC 958043817 CPYZARDNTXHWKC-UHFFFAOYSA-N 332.385 2.297 0 1 EEAF CC1=C[C@@H](O/C=C2\C(=O)O[C@@H]3[C@@H]2C=C2CCCC(C)(C)[C@]23O)OC1=O 14416219 FIKOOQXJBAJJSE-SPCBMTRGSA-N 346.379 2.139 0 1 EEAF endogenous,in-man O=S(=O)(/C=C/c1cccc(C(F)(F)F)c1)NC1CCNCC1 1857570823 LFASFIUDJINYLY-RMKNXTFCSA-N 334.363 2.348 0 1 EEAF COCC(=O)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 1380556 AEBJYGDDZCXQQL-UHFFFAOYSA-N 342.321 2.260 0 3 EEAF Cc1nonc1[C@@H]1CCCN1CCC(=O)N1CCc2ccccc2C1 65409028 QATZCYIXDSVLSU-KRWDZBQOSA-N 340.427 2.490 0 1 EEAF CC[C@@H](C(N)=O)N1C[C@@H](c2cccc(Br)c2)CC1=O 34005324 ZAUOGJBDPVSTPS-JQWIXIFHSA-N 325.206 2.029 0 1 EEAF C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCN(C)C 82070766 CSFWAKCHJLEVON-GFCCVEGCSA-N 347.440 2.033 0 1 EEAF O=c1c([C@@H]2Nc3ccccc3S(=O)(=O)N2)coc2ccc(F)cc12 96273808 AYKFLTDUIZGVBD-MRXNPFEDSA-N 346.339 2.335 0 1 EEAF CCOC(=O)C(=O)[C@@H]1CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587399177 ISEVCJNWRHMUHA-SGTLLEGYSA-N 331.368 2.214 0 1 EEAF Cn1cc(-c2csc([C@H]3NCCc4c(C(=O)O)cccc43)n2)cn1 963135042 VXTYZKLDCKXROD-HNNXBMFYSA-N 340.408 2.477 0 1 EEAF CCNc1n[nH]c2cc(NC(=O)NCc3ncccc3F)ncc12 1772629648 GEEBRKFCTXBDCV-UHFFFAOYSA-N 329.339 2.246 0 1 EEAF c1ccc(Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1 12480153 HOTPJJJHRXWYFY-UHFFFAOYSA-N 326.404 2.052 0 3 EEAF NC[C@@H](N)CC(=O)NC(CCc1ccccc1)CCc1ccccc1 1857600198 BFDVWHVEKUAHFX-IBGZPJMESA-N 339.483 2.413 0 1 EEAF C[C@H]1CCC[C@@H](NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)[C@@H]1C 3896581 BDCKNWKPUSJFDZ-QJPTWQEYSA-N 349.456 2.082 0 1 EEAF CC(C)N1C(=O)c2ccccc2[C@@]1(O)c1ccc2c(c1)NC(=O)CO2 116257257 NWPFPQYENBBIDA-IBGZPJMESA-N 338.363 2.075 0 1 EEAF COc1cc(C2=NN[C@@H](c3ccc(F)cc3)[C@H]2O)cc(OC)c1OC 28462238 LCNKRCCSBKDQRI-DOTOQJQBSA-N 346.358 2.261 0 1 EEAF C[C@H]1N(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@]1(C)O 27422478 WCVHBNVZOFKKKL-LZVRBXCZSA-N 346.358 2.133 0 1 EEAF COc1ccc(O[C@@H]2COCCN(C(=O)c3cccnc3)C2)cc1 2356649100 ZKPSLDRFCQKBPA-KRWDZBQOSA-N 328.368 2.010 0 1 EEAF O=C(CN1CCOCC1)c1c[nH]c(C(=O)c2ccc(Cl)cc2)c1 29344451 PFEIPBINRXYGDT-UHFFFAOYSA-N 332.787 2.414 0 1 EEAF COc1cc2c(cc1O)O[C@@H]1c3cc(O)cc(O)c3CO[C@H]1C2=O 14559947 GYXFQXUNGYGMFB-SJORKVTESA-N 330.292 2.027 0 1 EEAF biogenic CC(=O)O[C@H]1c2cc3ccc(=O)oc3cc2O[C@H]1C(C)(C)OC(C)=O 13461191 MPSHHPOBEKGMGA-DLBZAZTESA-N 346.335 2.500 0 1 EEAF biogenic COc1c2c3c(c4c1OCO4)-c1ccc(O)cc1[C@@](C)(O)C3=NCC2 15265661 ISYQAGCQYWJTLA-LJQANCHMSA-N 339.347 2.363 0 1 EEAF biogenic Nc1nc(SC2CCCC2)nc2c1c(=O)ccn2[C@H]1CCC[C@@H]1O 84671087 ZYNZSVVOZVUIOO-RYUDHWBXSA-N 346.456 2.494 0 1 EEAF CN1C[C@@H](C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)N(C)C1=O 95565505 UYZXONZQSUWXBQ-NSHDSACASA-N 349.740 2.341 0 1 EEAF Nc1nc(O)c2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2n1 587132435 AUMPLPLGTJIMMJ-UHFFFAOYSA-N 342.117 2.318 0 1 EEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(C)c2[nH]1 586930240 OKOCZQRDLVECDR-UHFFFAOYSA-N 331.397 2.406 0 1 EEAF COC(=O)c1ccc2nc(-c3cccc(NC(N)=O)c3C)[nH]c2n1 587239489 PMQZKUCYNQIPQU-UHFFFAOYSA-N 325.328 2.211 0 1 EEAF CCOC(=O)COc1ccccc1-c1ccc2c(O)nc(O)nc2n1 587553586 CMUMTRISFUJYCJ-UHFFFAOYSA-N 341.323 2.045 0 1 EEAF COc1nc(Br)cnc1NS(=O)(=O)c1ccccc1 116959442 OFPUUWQRPOXEQY-UHFFFAOYSA-N 344.190 2.049 0 1 EEAF O=C(Nc1ccncn1)N1CCN(Cc2cnc3ccccc3c2)CC1 200261493 DGJFPSONOUSMCX-UHFFFAOYSA-N 348.410 2.375 0 1 EEAF O=P(O)(O)C(Nc1ccc(-c2ccccc2)cc1)P(=O)(O)O 13673810 BHTYFFISFVNOLJ-UHFFFAOYSA-N 343.212 2.405 0 1 EEAF COc1cccc2nc(C[C@@H]3CN(C(C)=O)CC[C@@H]3CC(=O)O)[nH]c12 2356302724 RYXFYHZPXKKXAX-CHWSQXEVSA-N 345.399 2.073 0 1 EEAF O=C1CCC(=O)N1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 3819356 YXJULXMYNWRFRN-UHFFFAOYSA-N 333.347 2.167 0 1 EEAF CCCN(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)c1ccccc1F 6803866 NMMHGXRBIWGBTM-DGCLKSJQSA-N 328.434 2.311 0 1 EEAF CCOC(=O)Cc1cc(=O)n2[nH]c(C)c(-c3ccccc3OC)c2n1 104234496 IVUKNDJPVAUTRR-UHFFFAOYSA-N 341.367 2.112 0 3 EEAF Cc1ccc(CC[C@@H](C)NC[C@H](O)c2ccc(O)c(C(N)=O)c2)cc1 27740194 AFPUMQIMYZURNH-KUHUBIRLSA-N 342.439 2.444 0 1 EEAF O[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3 14718130 DKRYSHHGXFYAHR-MSOLQXFVSA-N 339.347 2.290 0 1 EEAF biogenic C[C@H](CCOc1ccc2ccc(=O)oc2c1)CC(=O)[C@@H](O)C(C)(C)O 14587273 HBMSEMYDXQVXRB-KZULUSFZSA-N 348.395 2.289 0 1 EEAF biogenic Cc1c(Cl)cccc1CNC(=O)[C@@H]1CCS(=O)(=O)N1C(C)C 43205870 LMAJJKPQYHMZDK-AWEZNQCLSA-N 344.864 2.077 0 1 EEAF Cc1nc(C)c(CN2CCN(C(=O)Cc3ccccc3)CC2)nc1C 40951727 XMVNPRDUNUCPLJ-UHFFFAOYSA-N 338.455 2.289 0 1 EEAF Cc1nc2[nH]cc(C(=O)NC(C)(C)C)c2nc1Nc1cnn(C)c1 145183847 SBNJPXLAAWDUFI-UHFFFAOYSA-N 327.392 2.272 0 1 EEAF N[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 95553306 SCJMJOCYIDGAMT-GJZGRUSLSA-N 347.777 2.159 0 1 EEAF in-vitro COc1ccc2c(c1)n(O)c(-c1ccc(OC)c(OC)c1)c(N)[n+]2=O 377839996 FOLVPVQCIOOAJL-UHFFFAOYSA-N 344.347 2.068 0 1 EEAF CC(=O)Nc1ncc2c(n1)CC[C@@H](NC(=O)c1cc3ccccc3[nH]1)C2 473088639 IXVNUUMIXBNYRN-CQSZACIVSA-N 349.394 2.204 0 1 EEAF CC(=O)NC1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CCC(C)CC1 587234448 MOYWGWSTZHSQCO-UHFFFAOYSA-N 342.399 2.435 0 1 EEAF COC(=O)Nc1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587243206 FXPDTFUMLWZXHM-UHFFFAOYSA-N 335.327 2.384 0 1 EEAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCCCn3nccc32)N1 963228055 HWWVWHXRKPXUQL-FXAWDEMLSA-N 348.406 2.458 0 1 EEAF CN(C)Cc1ccc(-c2cnc(NCc3ccno3)n3cnnc23)cc1 1772597511 PWJIZKDLOOAPHV-UHFFFAOYSA-N 349.398 2.453 0 1 EEAF Cc1ccc([C@H](C)CCN2CCC([C@]3(C)NC(=O)NC3=O)CC2)o1 11789163 FVKQIJFXYSHKLS-XIKOKIGWSA-N 333.432 2.392 0 1 EEAF COc1ccc(CN2[C@@H](CC(=O)O)c3ccccc3S2(=O)=O)cc1 12478835 OTEKCINGJYUXRJ-HNNXBMFYSA-N 347.392 2.416 0 3 EEAF CCCCC[C@@H]1CCCCC[C@H](O)C[C@H](O)[C@@H](O)/C=C\C(=O)O1 169293973 LEEBEEPDVOWSDN-OQWPSSDASA-N 328.449 2.472 0 1 EEAF CC(C)[C@@H](C)N=c1nc(-c2cccc(N)n2)[nH]c(=N[C@H](C)C(C)C)[nH]1 1857766237 AZFYXQQKGDXNAX-CHWSQXEVSA-N 343.479 2.272 0 1 EEAF CCOC(=O)C1CCN(c2cc(C(=O)O)c3cc(N)ccc3n2)CC1 21715355 DLMZPWQUQOCPFB-UHFFFAOYSA-N 343.383 2.295 0 1 EEAF CCCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)CC1 4103957 MUINHKQMRZPMSK-YCPHGPKFSA-N 344.521 2.379 0 1 EEAF CC(=O)N[C@H](COCC1CCCCC1)C(=O)NCc1ccccc1 58563983 FRAAHBSJNJHUIX-GOSISDBHSA-N 332.444 2.404 0 1 EEAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3cccc(C)c3)c2n1 28571900 DWDQLQVKHXTCQY-UHFFFAOYSA-N 326.404 2.271 0 1 EEAF COC(=O)C[S@](=O)C[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 261170164 SVDJATZZTSSCDA-QOAZOABKSA-N 343.876 2.297 0 1 EEAF O=C(NC12C[C@H]3CC(O)(C[C@@H](C1)c1ccccc13)C2)[C@H]1CCCN1 653796395 IQFZMIHTWSNKNH-YHOMTUKYSA-N 326.440 2.183 0 1 EEAF CCCc1c(O)ccc2c1O[C@@H](c1c(N)ncnc1OC)CC2=O 587468734 CYRVXNAZXGVACB-CYBMUJFWSA-N 329.356 2.432 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COCC2=O)N1 587834259 KPBJAHFKQZKFII-CLAHSXSESA-N 326.165 2.431 0 1 EEAF CN1C=CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587597382 USMVEPDHNIJPGX-KXBFYZLASA-N 337.331 2.468 0 1 EEAF COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1Cn1cccn1 587557287 HZIXRGPMWIAYEL-UHFFFAOYSA-N 349.350 2.356 0 1 EEAF NS(=O)(=O)c1ccc(CCc2nc3cc(Cl)cnc3[nH]2)cc1 586930021 LQJFHDWEKNBGRG-UHFFFAOYSA-N 336.804 2.044 0 1 EEAF COC(=O)c1ccc([C@H]2NCCc3c(C(=O)O)cccc32)c(OC)c1 963120405 HNQAIIVPWTXZSV-KRWDZBQOSA-N 341.363 2.415 0 1 EEAF O=c1c2cnn(-c3ccccc3)c2n2cnnc2n1-c1ccccc1 1772640024 KXOGIUPTMBWJNX-UHFFFAOYSA-N 328.335 2.219 0 1 EEAF NS(=O)(=O)Oc1ccc2c(c1)[C@@H](O)C[C@@H](C1CCCCC1)O2 13491351 IKIRYZIIGCYLSJ-ZFWWWQNUSA-N 327.402 2.034 0 1 EEAF Cc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1 13763558 MXRBJXSSLYMSCV-UHFFFAOYSA-N 330.365 2.153 0 1 EEAF CCOC(=O)c1cc(C)cn1S(=O)(=O)c1cc(Cl)ccc1N 6403677 IYHOPMOPNQDEMB-UHFFFAOYSA-N 342.804 2.446 0 1 EEAF CCCN(CCC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 6893585 KQEMNYJZORQDBK-UHFFFAOYSA-N 341.477 2.452 0 3 EEAF COc1ccc(-n2c(CCc3ccccc3OC)n[nH]c2=O)cc1 103175013 TWMVOOVOUIOTBS-UHFFFAOYSA-N 325.368 2.363 0 1 EEAF COc1ccc(-c2cc3c(OC)nc(N)nc3n(C(C)C)c2=O)cn1 64539957 USZIEOAEGHOYCR-UHFFFAOYSA-N 341.371 2.034 0 1 EEAF CCCn1cnc2c1CN(C(=O)C1CCCCC1)[C@H](C(=O)OC)C2 15706995 BZOKZCZHEPXHNJ-HNNXBMFYSA-N 333.432 2.300 0 1 EEAF biogenic COc1ccc2c3c1O[C@@H]1C=C([C@@H](C)O)C[C@H]4[C@@H](C2)N(C)CC[C@]314 40617194 QWIOCLNAHOMHPC-MUNGSSMCSA-N 327.424 2.281 0 1 EEAF O[C@H]1[C@@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 40492299 STBHTUOPFMOXDX-GJJHYRHESA-N 341.407 2.387 0 1 EEAF COc1cc(OC)cc(-c2nc(C(=O)N3CCCNCC3)cs2)c1 82086322 PWGKZBMLOAUIST-UHFFFAOYSA-N 347.440 2.263 0 1 EEAF C=CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(OC(F)F)cc2)C1 618018217 WEAZFDLYUZKHFZ-JTQLQIEISA-N 346.355 2.022 0 1 EEAF CCC(CC)C(=O)N[C@H]1CCN2C(=O)c3ccccc3NC(=O)[C@H]2C1 33625578 KARXJSGJOWZHAT-XJKSGUPXSA-N 343.427 2.164 0 1 EEAF biogenic CNS(=O)(=O)c1cc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)n(C)c1 586947606 VUVUHJRVDGZSKA-UHFFFAOYSA-N 347.444 2.169 0 1 EEAF COc1ccc([C@H](O)[C@H](C)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 587936747 LWFVUMDLOKMCEF-WRWORJQWSA-N 333.779 2.216 0 1 EEAF CS(=O)(=O)/C=C\c1nc2cccc(I)c2[nH]1 586924433 AJLCCYDXZRCSDJ-WAYWQWQTSA-N 348.165 2.183 0 1 EEAF Oc1nc(O)c2ccc(-c3c(F)cccc3N3CCOCC3)nc2n1 587368046 HDUICPTVVVCVOZ-UHFFFAOYSA-N 342.330 2.079 0 1 EEAF CC(=O)Oc1ccc(CCc2ccc3c(O)nc(O)nc3n2)cc1 587561671 USEVAPUVIYHWBC-UHFFFAOYSA-N 325.324 2.147 0 1 EEAF CCn1nccc1C(=O)c1c(C(=O)OC)[nH]c2c(C(=O)O)cccc12 587639401 USRJGXXWNYIDQL-UHFFFAOYSA-N 341.323 2.100 0 1 EEAF COc1ccc(CCc2c3nc(N)[nH]c(=O)c3cc3nc[nH]c23)cc1 16051688 UKRVQKUVWNDGMN-UHFFFAOYSA-N 335.367 2.175 0 1 EEAF in-vivo O=c1[nH]nc(Cc2cccc(CN3CCOCC3)c2)c2c1CCCC2 167335242 RLJVHCDDZIDVLX-UHFFFAOYSA-N 339.439 2.072 0 1 EEAF Cc1cc(-c2ccc(C(=O)N[C@@H]3CCN(C#N)C3)c(F)c2)nc(C)n1 1857588199 DDLWDXQHBPERDH-CQSZACIVSA-N 339.374 2.185 0 1 EEAF CC(=O)NC[C@H]1CN(c2ccc(-c3cc(C)no3)c(F)c2)C(=O)O1 3981621 ZYVPPMWBVIQPPH-LBPRGKRZSA-N 333.319 2.250 0 1 EEAF CCCN(C(=O)c1noc2ncn(C)c(=O)c12)c1ccc(F)cc1 9742502 DPAAHOQDRZLZKC-UHFFFAOYSA-N 330.319 2.117 0 1 EEAF CC1(C)N=C(N)N=C(N)N1OCCc1ccc(Cl)c(Cl)c1 27317043 UCHDNMSSZKAUBQ-UHFFFAOYSA-N 330.219 2.149 0 1 EEAF NC(=O)O[C@H](CCN1CCN(c2ccccn2)CC1)c1ccccc1 118064969 MXHHMSOYGOLVRZ-QGZVFWFLSA-N 340.427 2.430 0 1 EEAF COc1cc2c(cc1OC)[C@]13CCN(C)[C@@H](C2)[C@@H]1CC(=O)[C@H](OC)C3 101697501 UVQNELLAYVUQEY-IQGAEYHTSA-N 345.439 2.196 0 1 EEAF Cc1ccc2c(c1)[n+]([O-])c(C(=O)c1ccco1)c(C(F)(F)F)[n+]2[O-] 28861821 ZCHQELXPRZSVSH-UHFFFAOYSA-N 338.241 2.258 0 1 EEAF CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1cccnc1)C(C)C 66111567 UJYXTCUTJRAARO-CVEARBPZSA-N 349.431 2.059 0 1 EEAF COC(=O)C1=C2[C@](C)(C(=O)OC)C(=O)CC[C@]2(C)c2ccccc21 2356529537 JRSPUWVUJVKEPF-RTBURBONSA-N 328.364 2.427 0 1 EEAF Cc1c2c(nn1C)C(N1CCN(C)CC1)=Nc1cc(F)ccc1N2 26575497 ZVOOGDDDAQCDTD-UHFFFAOYSA-N 328.395 2.250 0 1 EEAF CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(OC)c1OC 34343065 DVNOGBDQNYJXJS-JTQLQIEISA-N 342.823 2.277 0 1 EEAF C=C(C)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]21 13325231 IXOAQFFFKPCXLB-YRHDVQTESA-N 332.396 2.165 0 1 EEAF biogenic CC(=O)Nc1cccc(C2=NN=C3c4ccc(C(N)=O)cc4C[C@@H]23)c1 87612874 KCTYKLLVBVYXPP-INIZCTEOSA-N 332.363 2.123 0 1 EEAF Nc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cn1 587007924 QAHBUPSUVQIWGY-UHFFFAOYSA-N 329.161 2.617 0 1 EEAF N[C@H]1Cc2c(Cl)cccc2[C@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962892883 FEDIEJOVOQXNFN-MPGHIAIKSA-N 346.789 2.205 0 1 EEAF Nc1ncc(-c2ccc(F)cc2)nc1-c1cc2c(cn1)C(=O)NCC2 202070704 WFVZCRTXXYDDNB-UHFFFAOYSA-N 335.342 2.213 0 1 EEAF COc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1 13762294 UWUCDMAWZWXZPY-UHFFFAOYSA-N 325.412 2.205 0 1 EEAF NC[C@H]1CN(CCc2ccncc2)C(=O)C[C@@H]1c1cc(F)ccc1F 169312416 WMZXPXIZBXCOTD-HOCLYGCPSA-N 345.393 2.493 0 1 EEAF O=C1C[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]12 169359151 GREJPBKWGASYSC-BGTYHANMSA-N 332.396 2.350 0 1 EEAF C[C@@H](C#N)NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167034119 GDCAGOKLQHQGMJ-LBPRGKRZSA-N 335.367 2.271 0 1 EEAF OC[C@@H](NCCc1ccccc1O)c1ccc(O)c2nc(O)ccc12 1857649367 DNXVWLLZOBVJCK-OAHLLOKOSA-N 340.379 2.217 0 1 EEAF C[C@@H]1CCC[C@H](O)CCC[C@@H](O)Cc2cc(O)cc(O)c2C(=O)O1 2356377993 RUKNLXKLHDXQSW-KWCYVHTRSA-N 338.400 2.262 0 1 EEAF COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccc(O)cc1 103219744 GHGQUMXNRYULMG-CEUCYRDJSA-N 341.363 2.012 0 1 EEAF CC(C)n1cnc2c(NCc3ccccc3)nc(NCCN)nc21 118024234 IFUNEZHZAWWGAU-UHFFFAOYSA-N 325.420 2.390 0 1 EEAF CCCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(OC)cc2OC)C1 61925807 MNICULCHEHTABX-SFHVURJKSA-N 334.416 2.082 0 3 EEAF Nc1ncnc2c1ncn2[C@@H]1CC[C@H](OCc2ccccc2)C[C@@H]1O 26574824 KQWZLGLYTXBCFX-ZNMIVQPWSA-N 339.399 2.080 0 1 EEAF CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(OC)cc2OC)C1 61903361 IRGUXLPSFBMBFG-LJQANCHMSA-N 348.443 2.472 0 3 EEAF C[C@@H]1C(=O)[C@]23[C@@H](O)[C@@H]1C[C@H](O)[C@H]2[C@@]1(C)CCCC(C)(C)[C@H]1C[C@H]3O 2356646445 CVQIEWZWXJRAQL-OECJELEJSA-N 336.472 2.147 0 1 EEAF CC(=O)c1c(O)c2c(c3c1OC(C)(C)C=C3)OC(C)(C)[C@@H](O)[C@@H]2O 14616774 OFKZCOFIJRMOJI-CJNGLKHVSA-N 334.368 2.344 0 1 EEAF biogenic CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](C)N2 82207261 PWAFKEOVJBHFFH-LBPRGKRZSA-N 346.406 2.079 0 1 EEAF O=C(c1cnc(N2CCOCC2)nc1-c1ccccc1)N1CCCC1 82133061 RDSZBZNHHOQUDR-UHFFFAOYSA-N 338.411 2.216 0 1 EEAF O=S(=O)(c1cccc2cnccc12)N1CCC2(CCCN2)CC1 96911017 UHIGVABPYJJKDC-UHFFFAOYSA-N 331.441 2.142 0 1 EEAF C1CC(CO[C@H]2CC[C@H]3[C@@H]2OCCN3CC2CCOCC2)CCO1 299843143 MYICMCIGSITPNW-FHWLQOOXSA-N 339.476 2.088 0 1 EEAF N[C@@H](N=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 587128281 KMICEDLUAKJFPG-LBPRGKRZSA-N 344.285 2.329 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@]2(C(=O)O)CC[C@H]1C2(C)C 587406033 DAXBTKCMEQDMOL-MJXNMMHHSA-N 343.379 2.371 0 1 EEAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@H]1CCCO1 587276954 VJNKNFASCJFMAC-MRVPVSSYSA-N 326.146 2.444 0 1 EEAF O=C(NCCCO)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 168008269 PYPKEBGCFICDPR-UHFFFAOYSA-N 339.395 2.347 0 1 EEAF O=C(O)C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCCCCO)O1 6863602 GXKIHCANXYMZKT-WBMJQRKESA-N 336.340 2.003 0 3 EEAF O=C1O[C@@H](c2ccc(O)cc2)[C@H](C(=O)O)C1=Cc1ccc(O)cc1 2356380901 VCGDDWQSRJLRHG-CVEARBPZSA-N 326.304 2.480 0 1 EEAF CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1 61908324 IDYNRUIZGATPPH-OAHLLOKOSA-N 349.427 2.438 0 3 EEAF O=C(O)C[C@H](c1c[nH]cn1)N(Cc1ncn[nH]1)CC1CCCCC1 28345098 FAAJZKIYLZXCSN-CQSZACIVSA-N 332.408 2.126 0 1 EEAF CC(C)C(=O)OCc1ccc([C@](C)(O)COC(=O)C(C)C)c(O)c1 2356488378 KDNYWYODIQTBNM-GOSISDBHSA-N 338.400 2.498 0 1 EEAF CC[C@]12CCCN3C(=O)[C@H](O)[C@H]4c5ccccc5N(C(=O)CC1)[C@]432 2356490433 IPLKUIIZTYHLIU-FPAYPSAMSA-N 326.396 2.000 0 1 EEAF CCc1nc(C(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)cs1 82070026 PBWXNNJEXIPPMB-AWEZNQCLSA-N 335.429 2.369 0 1 EEAF CCCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)CC1CC1 95894063 QKTNHYVGKCVTJX-HLIPFELVSA-N 342.439 2.289 0 1 EEAF Cc1c(-c2ccc(Oc3nccc4[nH]ncc34)cc2)n(C)c(=O)[nH]c1=O 144573869 OFPHQGGHTJZGKJ-UHFFFAOYSA-N 349.350 2.113 0 1 EEAF CC(C)N1CC[C@@H](NC(=O)c2ccc(OC3CCOCC3)cc2)C1 653762891 BGEFIJCSBARIIB-MRXNPFEDSA-N 332.444 2.457 0 1 EEAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(F)c(F)c1 587368657 UNTNGHBAXRJZND-UHFFFAOYSA-N 333.250 2.008 0 1 EEAF CCOC(=O)C1=C[C@H](c2cc3c4c(cccc4n2)CC3)C(=O)N(C)C1=N 587211940 JKDAVUFGFFYASL-CYBMUJFWSA-N 349.390 2.356 0 1 EEAF Oc1nc(O)c2nc(-c3cc4ccc(Br)cn4c3)[nH]c2n1 587007287 ZERQQCJYSYXRRY-UHFFFAOYSA-N 346.144 2.446 0 1 EEAF Cc1c(Br)ccc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 587970492 IMSJRVLIFRRTRC-PSVAKVPMSA-N 339.145 2.133 0 1 EEAF CCS(=O)(=O)c1ccc2nc([C@H](NC)c3cccnc3)[nH]c2c1 587227212 WUGSLKIMMBZPFH-OAHLLOKOSA-N 330.413 2.060 0 1 EEAF COc1ccc(OC)c(-c2nc3c(O)nc(S)nc3[nH]2)c1OC 587926102 HOLIPCZGUBFNBK-UHFFFAOYSA-N 334.357 2.040 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)c(F)c1)(C(O)O)O2 587382856 UWCDPEBPHXYEDK-QGZVFWFLSA-N 335.306 2.027 0 1 EEAF C[C@H]1C/C=C/[C@H](O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 14415576 NHAQNKDEUQPSIX-RENCSUAUSA-N 334.368 2.118 0 1 EEAF CC(C)[C@H](NC(=O)c1cc2ccccc2n1CCCCCO)C(N)=O 1857538964 ZKRIBGIAGIDEAD-KRWDZBQOSA-N 345.443 2.044 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NCC1[C@@H]2CC3C[C@H]1CN3C2 6433 KDAGOUIJCJUMDN-UYVFGJEYSA-N 335.835 2.001 0 1 EEAF O=C1CO[C@H]2CN(Cc3ccccc3)C[C@@H]2N1Cc1ccc(F)cc1 2356307662 KICSTGNMVVGFLI-OALUTQOASA-N 340.398 2.438 0 1 EEAF O=C(C1CCCCC1)N1CC(=O)N2CCOc3ccccc3[C@H]2C1 26176445 HRAXXLUYPLXXND-MRXNPFEDSA-N 328.412 2.371 0 1 EEAF OC1CCN(CCNc2ncc3c(n2)CCN3c2ccccc2)CC1 65396297 OQQPZNRSEFVRSK-UHFFFAOYSA-N 339.443 2.039 0 1 EEAF CC=C(C)C(=O)O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1 2356617217 UPVPJQNTGLTBPC-ILOCAZANSA-N 346.471 2.360 0 1 EEAF COc1ccc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3N(C)O)cc1OC 2356642295 BVCCDTLMDMGNJI-PBWFPOADSA-N 336.388 2.092 0 1 EEAF COc1ccc(C(=O)c2sc3[nH]c(=O)c(C(=O)O)cc3c2N)cc1 28902835 QOGSMBGZPGYBDF-UHFFFAOYSA-N 344.348 2.110 0 1 EEAF CC(=O)NCc1ccc(CN2CCN(c3nccs3)CC2)cc1 27991739 CUFYRQRJWOLOFW-UHFFFAOYSA-N 330.457 2.101 0 1 EEAF CCC(=O)Nc1ccc(NC(=S)NCc2nc(C)cnc2N)cc1 71295689 GQZJEOGSPSVJIX-UHFFFAOYSA-N 344.444 2.202 0 1 EEAF COc1ccc(CN2C(=O)CSC[C@@]2(C)C(=O)NC(C)C)cc1 199231185 GKFHJDRJPPELQD-KRWDZBQOSA-N 336.457 2.054 0 3 EEAF O=C(c1ccccc1-c1ccccc1)N1C[C@H]2CNC[C@@]2(C(=O)O)C1 299842466 GSIYJUKQVXGGMC-FOIQADDNSA-N 336.391 2.100 0 1 EEAF COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1)(C(O)O)[C@@H](C2)C3=O 587422320 YKHIPDLJAJWMEU-SCLBCKFNSA-N 346.766 2.302 0 1 EEAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(F)cnc3[nH]2)cc1 586941712 VOIVMMVPPHNKPR-VOTSOKGWSA-N 346.387 2.496 0 1 EEAF C[C@@]1(c2nc3cc(N)c(N)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173928 KZTXJGUOKOJOIR-KRWDZBQOSA-N 326.331 2.495 0 1 EEAF COc1ccc2c(c1OC)[C@@H](c1ccncn1)NCC21CCOCC1 963195478 ZHAJSBUNDZDDPM-QGZVFWFLSA-N 341.411 2.235 0 1 EEAF CCCSc1nc(Sc2ccccn2)c2nnn(CCO)c2n1 1772618616 OSOPHUWGBFCCMV-UHFFFAOYSA-N 348.457 2.262 0 1 EEAF c1cc(Nc2ccc(NC3=NCCN3)cc2)ccc1NC1=NCCN1 13836783 AJWTXSLKVJNYAB-UHFFFAOYSA-N 335.415 2.172 0 1 EEAF in-vitro Cc1ccc(N[C@H]2CCCN(C(=O)CCN3CCOCC3)C2)cc1C 15064914 KKZOWBGTAYLPOX-IBGZPJMESA-N 345.487 2.429 0 3 EEAF COc1cccc(Cc2nnc(-n3c(O)c4c(c3O)CCCC4)[nH]2)c1 169688160 ABXFQZYUAJPJEW-UHFFFAOYSA-N 340.383 2.485 0 1 EEAF O=P(O)(O)C(Nc1cccc(-c2ccccc2)c1)P(=O)(O)O 13532369 IXFMBXNLOHKCPT-UHFFFAOYSA-N 343.212 2.405 0 1 EEAF in-vivo COC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCCO4 412994 FNRWJYNVAGQGAR-UHFFFAOYSA-N 345.380 2.227 0 3 EEAF Nc1nc(-c2nccs2)nc2sc(CN3CCOCC3)cc12 118600149 IHXNUNBVWZQVOL-UHFFFAOYSA-N 333.442 2.229 0 1 EEAF CCOC(=O)c1cn(CC2CCC2)c2c(ccc3c2nnn3C)c1=O 66100711 PGPIHFZDLOPXDQ-UHFFFAOYSA-N 340.383 2.260 0 1 EEAF C[C@@H]1CCN(C(=O)CC2CC2)C[C@H]1N(C)c1ncnc2[nH]ccc12 34028565 WCEMRCSQVJUUEL-IUODEOHRSA-N 327.432 2.431 0 1 EEAF OCCCCNc1cncc(Oc2ccc(-n3cncn3)cc2)n1 82068619 HDAJEECFFQVBRN-UHFFFAOYSA-N 326.360 2.034 0 1 EEAF Cc1ccc(CNC2=N/C(=C\c3c[nH]c4ncccc34)C(=O)N2)cc1 40976604 VSHWPDBAQSCRPQ-SXGWCWSVSA-N 331.379 2.488 0 1 EEAF S=C(SCc1cn(Cc2ccccc2)nn1)N1CCOCC1 96285726 HUWPNKWRTRLRKL-UHFFFAOYSA-N 334.470 2.177 0 1 EEAF Cc1ccoc1C(=O)Nc1ncc(N2C(=O)c3ccccc3C2=O)cn1 473167289 HKENFXOVRHUQKC-UHFFFAOYSA-N 348.318 2.431 0 1 EEAF Cc1ncccc1O[C@H]1CCN(C(=O)Cc2cccs2)CC[C@@H]1O 299850828 NLXAUXBMKBFSBD-RDJZCZTQSA-N 346.452 2.425 0 1 EEAF CNC(=O)[C@H]1C[C@H]1c1nc2ccc(I)cc2[nH]1 587234723 IHXCYULWZZGQAI-SFYZADRCSA-N 341.152 2.017 0 1 EEAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 586886613 FPQYOGRCXOLYHQ-MEDUHNTESA-N 345.424 2.356 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(Cl)ncnc2[nH]1 587231573 PHYMRZPXCPDAKS-NXEZZACHSA-N 337.811 2.043 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)N(C)C)[nH]1)[C@@H](C2)C3=O 587438000 KIZXTIQAERGIMM-APPDUMDISA-N 326.352 2.214 0 1 EEAF COC(=O)[C@@H]1Cc2nc3cccc4c3c(c2C[C@H]1C(=O)OC)CC4 587212682 CCLJTMNBANWETP-ZIAGYGMSSA-N 325.364 2.010 0 1 EEAF COc1ccc(-c2nc3nc(O)nc(O)c3cc2[C@H](C)C(=O)O)cc1 587560161 WYJCHJOHBMEWPP-QMMMGPOBSA-N 341.323 2.300 0 1 EEAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(CO)c12 1772590613 OZGCDXMCOBCDMT-SNVBAGLBSA-N 341.371 2.342 0 1 EEAF NCC(=O)Nc1ccccc1S[C@@H](CC(=O)O)c1cccnc1 13589258 BXELJEKZSJRZPT-AWEZNQCLSA-N 331.397 2.287 0 1 EEAF C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@H]23)cc1 202709799 FJHKZEVPGYADEG-COXVUDFISA-N 327.428 2.410 0 1 EEAF NCCCNCCCNCCCN1C(=O)c2cccc3cccc1c23 1857536850 FNGYTNYSKIBIEP-UHFFFAOYSA-N 340.471 2.108 0 1 EEAF Cn1cc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4o3)C2)cn1 2356428538 OUQMTCIAIIYQEL-XJKSGUPXSA-N 330.363 2.300 0 1 EEAF O=C(Cn1c(-c2ccccc2)nc2ccc(O)cc2c1=O)NCC1CC1 58591884 QNOVRWPYIKWGLG-UHFFFAOYSA-N 349.390 2.295 0 1 EEAF COCC1=Nc2ncnn2[C@H](c2ccc(OC)cc2)/C1=C(/O)OC 103539076 OHXQBRHJNKIWBK-JNINTMOKSA-N 330.344 2.025 0 1 EEAF CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccccc4CC)C(=O)[C@@H]13)O2 104404612 ARAZAYXAIZVEQW-WFXMFSGNSA-N 327.380 2.099 0 1 EEAF CNC[C@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 29564605 OQFALAVCRBVDSL-AWEZNQCLSA-N 325.364 2.419 0 1 EEAF CC=C(C)C(=O)O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@@H]34)[C@@H]2C1 2356617219 UPVPJQNTGLTBPC-WKULXVSPSA-N 346.471 2.360 0 1 EEAF CNc1cc(-c2cn(C)nc2Oc2ccccn2)nn2c(C)nnc12 213528628 LUOSMBCXHFHGQV-UHFFFAOYSA-N 336.359 2.062 0 1 EEAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)N2CCOCC2)N3C)cc1 36177323 SAGKYUWOOFCCBT-AKHDSKFASA-N 328.456 2.420 0 1 EEAF COCCN1C(=O)COCc2cc(-c3cccc(CO)c3)ccc21 74375364 XREQELZGQVMNBW-UHFFFAOYSA-N 327.380 2.356 0 3 EEAF COc1ccc(CCn2nnn[n+]2-c2cccc(C(C)(C)C)c2)cc1 40764403 DELDQFXWGXRTTF-UHFFFAOYSA-N 338.435 2.499 0 1 EEAF O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 40424203 OYDHYNPQPQRMCX-DZGCQCFKSA-N 326.371 2.289 0 1 EEAF CC(=O)O[C@H]1C=CC=C(COC(=O)c2ccccc2)[C@@H]1OC(C)=O 14489400 QKUQVZOCGPQPCS-IRXDYDNUSA-N 330.336 2.203 0 1 EEAF biogenic CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)OC)cs1 82074115 YFVLWFRKGIOYSW-UHFFFAOYSA-N 334.397 2.454 0 1 EEAF Cn1nccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 221397294 KWFNKLWCRJZHIE-UHFFFAOYSA-N 334.383 2.375 0 1 EEAF C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(C)c4)cc3n21 147850651 MHRHAUPOVAOJEU-LLVKDONJSA-N 337.383 2.322 0 1 EEAF CC(C)C[C@@]1(C)OC(=O)c2c1ccn(CCCN1CCOCC1)c2=O 96909300 HNHQBSJVFDADED-LJQANCHMSA-N 348.443 2.002 0 1 EEAF COCCN1CC[C@H](Cc2cncc(-c3ccc(C(=O)O)cc3)n2)C1 257344761 ZYOZZTFBMCYGCI-CQSZACIVSA-N 341.411 2.353 0 1 EEAF CN1CCN(c2ccc3nc([C@@H]4CC(=O)OC4(C)C)[nH]c3c2)CC1 586910417 OTXFVVAQNNZTAD-ZDUSSCGKSA-N 328.416 2.124 0 1 EEAF CNS(=O)(=O)N1CCC(c2nc3cc(Cl)cc(C)c3[nH]2)CC1 586954736 OEOGSYHJGWFMPG-UHFFFAOYSA-N 342.852 2.168 0 1 EEAF O=C(Cc1ccc2c(O)nc(O)nc2n1)c1cc(Cl)ccc1O 587368788 OVGQEECWUOFJAV-UHFFFAOYSA-N 331.715 2.220 0 1 EEAF COC(=O)[C@@H]1[C@H](C)CC[C@@]12NC[C@@H]1CC(=O)N(C)c3cccc2c31 963026987 PVEMMHAAWDPGGL-YPAQZAPISA-N 328.412 2.154 0 1 EEAF COc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccccc1 1772635559 FFVNHKQONMKRRU-UHFFFAOYSA-N 344.392 2.348 0 1 EEAF COc1cccc(CNC(=O)[C@@H]2Cn3c(cc4ccccc43)C(=O)N2)c1 1772610090 CDIXJCOSVMBLBS-INIZCTEOSA-N 349.390 2.078 0 1 EEAF C[C@H](NC(=O)OC1CCCCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 13150477 QTOGVWKNZNBBNK-RKEKIRQTSA-N 332.400 2.198 0 1 EEAF O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1ccc(Cl)cc1 13154346 USPKYYZDABFFSZ-KRXYVZHUSA-N 342.782 2.038 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)OCCN1C[C@@H](C)O[C@H](C)C1 13761093 SNYJGSDBCHKBGS-GHMZBOCLSA-N 342.823 2.197 0 1 EEAF CCN1CNC(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2 13782361 YEQJFVRVXBZCEM-UHFFFAOYSA-N 347.434 2.032 0 1 EEAF COc1ccc(-n2nc(C(=O)O)c3ccccc3c2=O)c(OC)c1 109884 HHUOJAWFHQWMGG-UHFFFAOYSA-N 326.308 2.101 0 3 EEAF O=C(NC[C@H]1CCCO1)[C@H]1c2ccccc2C(=O)N1C1CCCC1 427238 FCAATOHEORQJKU-RHSMWYFYSA-N 328.412 2.421 0 1 EEAF COC1=C(C)C(=C2O[C@@]34CCCN5CCC[C@H](O3)[C@H]5[C@H]4[C@@H]2C)OC1=O 2356347876 PWWHYBLBRPZDAI-UVRVRNFRSA-N 347.411 2.311 0 1 EEAF COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3nnnn32)c1 101699294 MCHSONOVTSFNPH-OAHLLOKOSA-N 327.344 2.362 0 1 EEAF CCN(CC)CCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 103273841 UJMFKSSVUDLNIV-UHFFFAOYSA-N 338.395 2.467 0 1 EEAF O=c1cc(-c2ccccc2)oc2cc(OCCNCCO)cc(O)c12 103290690 ACSSTMARLRNEGD-UHFFFAOYSA-N 341.363 2.126 0 1 EEAF CC(C)[C@@H]1[C@H](O)[C@H](O)C2=C3OC(=O)C4=C3[C@](C)(CC[C@@H]4O)CC[C@@]21C 2356550718 SCJWRCCFAICMEA-XRNGWAHLSA-N 348.439 2.063 0 1 EEAF COc1cc2c(cc1OC)[C@@]13C[C@H](OC)C=CC1=CCN3C(=O)C2 2356599816 NGGHEXQRXXSCCU-AUUYWEPGSA-N 327.380 2.199 0 1 EEAF CN1CCCN(c2nc(N)nc3c2oc2ncc(Cl)cc23)CC1 73161363 RJVDCNQAKCLXBN-UHFFFAOYSA-N 332.795 2.149 0 1 EEAF COc1cc(C[C@@H]2COc3cc(O)c(OC)c(O)c3C2=O)ccc1O 13481956 JTUMKSBLAMJZPG-SNVBAGLBSA-N 346.335 2.255 0 1 EEAF biogenic COc1cc([C@H]2Oc3c(OC)cc(C=O)cc3[C@H]2CO)ccc1O 15215999 FHRVWMUANLCTEE-CXAGYDPISA-N 330.336 2.432 0 1 EEAF biogenic Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@H]3N)cnc2C(N)=O)c1 73275241 JZTOUVBEZONDKA-ZIAGYGMSSA-N 340.431 2.309 0 1 EEAF Nc1ccccc1-c1nnc(C(=O)NCc2nc3ccccc3[nH]2)o1 42964441 GJEGHOAEZMDPTI-UHFFFAOYSA-N 334.339 2.125 0 1 EEAF CCC[C@H]1CC2=C(OC=CN2)[C@]2(NC(=O)CC(=O)O)C=CCC[C@@H]12 87723419 QUMPRQDHFWLVOC-LXIYXOSZSA-N 332.400 2.405 0 1 EEAF Nc1nonc1C(=O)c1cccc(OCc2nc3ccccc3[nH]2)c1 98208035 BVOFVPANMGREFZ-UHFFFAOYSA-N 335.323 2.338 0 1 EEAF in-vitro CC(C)C[C@@H]1C(=O)[C@H](CC[C@@H](O)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 473198581 PZASMECFBWZNPR-JONQDZQNSA-N 348.395 2.132 0 1 EEAF CN(C)CCN(C)c1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCC2 299868912 SRFKGZFPJSCQBD-UHFFFAOYSA-N 341.463 2.307 0 1 EEAF Cc1cc(CN2C[C@H]3COC[C@@]3(COCc3csc(C)n3)C2)no1 299843879 ZCJVUQQLBALXJU-WMLDXEAASA-N 349.456 2.413 0 1 EEAF Cc1ccnc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)n1 587650809 UCTOXBANIJEWGV-UHFFFAOYSA-N 344.396 2.231 0 1 EEAF Nc1ncc(Cl)nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587086287 DUCYTKOUOBNJGV-UHFFFAOYSA-N 344.806 2.088 0 1 EEAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1cc(F)cc(F)c1 587368452 QDDQHJKDCNODTH-UHFFFAOYSA-N 333.250 2.008 0 1 EEAF CCCCCn1c(C)c(C2CC2)c(=O)n(CC(=O)NC(C)(C)C)c1=O 1772601305 OSWKOAIKJNBMLF-UHFFFAOYSA-N 349.475 2.301 0 1 EEAF Cc1cc(C)c2c(c1)/C(=C/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 13470474 OWDUEDVNTZUCFV-DHDCSXOGSA-N 343.408 2.356 0 1 EEAF NS(=O)(=O)c1ccc(Nc2cc(-c3ccc(O)c(F)c3)n[nH]2)cc1 13538177 QVUJFGWIMPTAEH-UHFFFAOYSA-N 348.359 2.312 0 1 EEAF CC(=O)c1cc(NC(=O)C(C)C)ccc1OC[C@H](O)CNC(C)C 169334077 DCKOWHKNPJVPSY-OAHLLOKOSA-N 336.432 2.221 0 1 EEAF C[C@@]1(CO)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@]4(C)[C@@H](O)CO[C@@H]4C3=CC[C@H]12 1857604505 QPDHJVNISFVGRA-VLYUYHQCSA-N 336.472 2.268 0 1 EEAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=O)N(N)C2=O 6482559 HDOMUOSSPZHKBI-OVKDOBFJSA-N 332.444 2.149 0 1 EEAF COc1cc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)ccn1 115624763 CGBNKTLGKWVCIP-UHFFFAOYSA-N 325.372 2.219 0 1 EEAF CC[C@@]1(O)CN2CC[C@]34C(=C(OC(C)=O)[C@H]1C[C@@H]23)Nc1ccccc14 2356551508 ICCHHWSKGFWLQK-BGRCLHOASA-N 340.423 2.374 0 1 EEAF C[C@]1(O)CC[C@@]23[C@@H](O)[C@@H]1C[C@H]2CC[C@@H]1[C@](C)(CO)C[C@H](O)C[C@]13C 2356699064 AKJUXPHPVJRSGJ-IZIVOVIWSA-N 338.488 2.084 0 1 EEAF COc1c(O)cc2c(c1O)C(=O)[C@@H](OC(C)=O)[C@@H](c1ccccc1)O2 2356721531 IFGSAERKBCGIJK-SJLPKXTDSA-N 344.319 2.355 0 1 EEAF CC[C@H](C)C(=O)C(=O)N(C)[C@@H](C(=O)NCCc1ccccc1)C(C)C 2356862028 UWDIQZJVMAKUPJ-DOTOQJQBSA-N 346.471 2.444 0 1 EEAF COc1cc(O)c2c(c1)[C@@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C 14714112 SOOJTMCFQOPUHB-ZWKOTPCHSA-N 341.363 2.373 0 1 EEAF biogenic O=C(OB(c1ccsc1)c1cccc(Cl)c1)c1ncccc1O 195133406 LEGSVLUGTWAPPE-UHFFFAOYSA-N 343.600 2.465 0 1 EEAF O=C(CN[C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2ccccc2)CC1 96172285 NQNAAQHKTOHNRL-RTWAWAEBSA-N 349.478 2.477 0 1 EEAF COc1ccc([C@@H](O)[C@@H](C)c2nc3c(O)nc(S)nc3[nH]2)cc1 587936905 MZCDMEYLOXVWSX-HQJQHLMTSA-N 332.385 2.193 0 1 EEAF COC[C@@]1(CC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592897 IFAGPQGFIMQCAL-MAUKXSAKSA-N 344.319 2.214 0 1 EEAF Cc1c(-c2ccc3c(O)nc(O)nc3n2)nnn1-c1ccc(F)cc1 587368912 BBSCTEDHYLWDCO-UHFFFAOYSA-N 338.302 2.131 0 1 EEAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(Cl)cncc3[nH]2)o1 586931532 XFCZUADGCXQIPD-UHFFFAOYSA-N 326.765 2.122 0 1 EEAF Cc1csc([C@@](O)(Cc2nc3ccnc(O)c3[nH]2)C(F)(F)F)n1 587095193 YXKGZCFSMWRFQP-LBPRGKRZSA-N 344.318 2.421 0 1 EEAF O=S1(=O)CC[C@]2(C1)c1ccsc1CCN2Cc1cccnc1 962996163 HIKOBVWNSXNJSF-INIZCTEOSA-N 334.466 2.215 0 1 EEAF Cc1[nH]c(=O)nc2c1[C@@H](NCCCN(C)C)c1cc(Cl)ccc1N2 5846882 ACJQTXHGUPKZIV-HNNXBMFYSA-N 347.850 2.419 0 1 EEAF Cc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)c(C)oc2=O)cc1 13803975 JAPKJIUHTVTGNM-UHFFFAOYSA-N 344.392 2.362 0 1 EEAF CC(C)CCn1nnnc1[C@H](c1ccccc1)N1CCN(C)CC1 19447021 AARHXBFORPILLR-KRWDZBQOSA-N 328.464 2.056 0 3 EEAF O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccccc3)n2)ncc1F 207845428 CMRKKQSBTZMRCF-UHFFFAOYSA-N 337.314 2.476 0 1 EEAF O=C(O)COc1ccc(OCc2cn(-c3ccccc3)nn2)cc1 1857543660 DNBJYXOWPYJCHQ-UHFFFAOYSA-N 325.324 2.310 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccccc1Cl 101390639 ATWGPAAGZWQRJW-LOLUWDGXSA-N 342.782 2.038 0 1 EEAF CCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O 61925747 ZVJPUCQSDYAFTL-IBGZPJMESA-N 343.427 2.325 0 3 EEAF CC(C)=CCc1cccc2c(C[C@H]3NC(=O)[C@H](C)NC3=O)c[nH]c12 14721645 IHJVJWQYVQWURS-BLLLJJGKSA-N 325.412 2.222 0 1 EEAF biogenic CNC(=O)[C@@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 44459662 JDHLLFQRUKERKO-HNNXBMFYSA-N 346.770 2.194 0 1 EEAF C[C@H]1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)CCC[C@@]4(CO)[C@H]2CC[C@@H]1[C@H]3O 95910580 SIHFLKYXQVXCGK-OXXYCVLBSA-N 336.472 2.148 0 1 EEAF biogenic,in-vitro C[C@@]12CC3=C(C[C@@H]1OC[C@@H]2O)[C@]1(C)C[C@H](O)C[C@@](C)(CO)[C@H]1CC3 95911364 PUSLFKCUWMTXFL-IHTGJJIASA-N 336.472 2.412 0 1 EEAF biogenic,in-vitro CNS(=O)(=O)c1ccc(CCc2nc3c(C)nc(C)cc3[nH]2)cc1 586945967 FAGKWRUPHSAUDE-UHFFFAOYSA-N 344.440 2.268 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1 587231186 UECXMGXZTDQSOB-OLZOCXBDSA-N 341.415 2.476 0 1 EEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Cl)cc(F)c2[nH]1 587204911 UTUFPUVULRTJKL-NSHDSACASA-N 340.786 2.434 0 1 EEAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587091822 JNSXDOCXIMXYGR-LURJTMIESA-N 342.277 2.023 0 1 EEAF CCO[C@@H](C)n1nccc1[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962909058 VVRHWVITLZWQLS-FSBGKCOPSA-N 333.363 2.266 0 1 EEAF Cc1cnc(Cl)nc1[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963511017 RMUJNEXVHDVDLH-GTNSWQLSSA-N 347.802 2.315 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1c(Cl)ccnc1N)NCC2 962927929 FOQRBYMHBLLHPU-OAHLLOKOSA-N 330.819 2.254 0 1 EEAF O=C1CC[C@@H](C(=O)N2CCSCC2)CN1CCc1ccccc1 12373476 GQDZUFLXCQEHKP-MRXNPFEDSA-N 332.469 2.043 0 3 EEAF CC1=C[C@@H](O/C=C2\C(=O)O[C@@H]3[C@H]2C=C2CCCC(C)(C)[C@@]23O)OC1=O 13310301 FIKOOQXJBAJJSE-LUTAGIFZSA-N 346.379 2.139 0 1 EEAF in-man C[C@H]1CC[C@H]2[C@@](C)(CO)[C@H](O)CC[C@]2(C)[C@@]12CC[C@@](C)(CO)O2 13643318 RUJVTNAFWZHAOM-AFRUPAAZSA-N 326.477 2.492 0 1 EEAF CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@](C)(O)[C@@](O)(CO)[C@@H]1CC2=O 1857748075 QHBZLLISQRWQIC-YSTOQKLRSA-N 348.439 2.244 0 1 EEAF CNc1ccc(-c2cc3ncn(C)c(=O)c3c(NCCOC)n2)cc1 115625484 IVMZLULYJXBDHT-UHFFFAOYSA-N 339.399 2.096 0 1 EEAF CS(=O)(=O)Nc1cc(OCCNCc2cccs2)ccc1F 26820138 ORNYDPYZWVONOG-UHFFFAOYSA-N 344.433 2.427 0 1 EEAF CCN(CC)[C@@H](C)CN1C(=O)C[C@]2(CCCc3ccc(O)cc32)C1=O 27563965 BRHMGFURGFEIBN-XOBRGWDASA-N 344.455 2.456 0 1 EEAF O=C(Nc1cccnc1C(=O)Nc1nccs1)c1cccnc1 28336017 AQJJQCLQIBJILM-UHFFFAOYSA-N 325.353 2.438 0 1 EEAF Cc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)cc1 15674050 YFNSLAHGAJZUTC-ZBFHGGJFSA-N 337.383 2.143 0 1 EEAF biogenic CO[C@H]1C=CC2=CC(=O)N3CCCc4cc5c(cc4[C@@]23C1)OCO5 14692291 LSHGROWWKJBPBW-IFXJQAMLSA-N 325.364 2.300 0 1 EEAF biogenic C[C@]12CCC[C@]3(OC1=O)[C@H]2[C@@H](C(=O)O)[C@@]12C[C@@H](CC[C@@H]31)[C@](C)(O)C2 238736608 WGVIRXSVGNPFAX-AHIGJZGOSA-N 334.412 2.360 0 1 EEAF O=C(CSC(=S)N[C@H]1CCOC1=O)Nc1ccccc1Cl 96929091 YWUFFJLDMOLZHK-JTQLQIEISA-N 344.845 2.202 0 1 EEAF O=C(O)CN1C(=O)CN(CC2CCCCC2)C(=O)c2ccccc21 95563165 QIDHXNCKANWFFH-UHFFFAOYSA-N 330.384 2.140 0 1 EEAF CCO[C@@H]1O[C@H]2CN[C@H]3C[C@H](OC)C=C[C@]32c2cc3c(cc21)OCO3 238778004 DWXXGLPEQMCHLG-HVEWUWHJSA-N 345.395 2.034 0 1 EEAF CC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccccc3)C[C@@H]21 95894234 PWKBDVMDCKLWIS-IPMKNSEASA-N 336.391 2.022 0 1 EEAF CCOc1ccc(Cl)cc1S(=O)(=O)NC(=S)NC(C)C 299860601 GUXWAYPEGXBZSZ-UHFFFAOYSA-N 336.866 2.300 0 1 EEAF CC(=O)NC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572427 PIBUPJUMSZGHAY-QAPCUYQASA-N 327.336 2.249 0 1 EEAF COC(=O)c1csc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587453597 XLAMUXYQVRFEJX-OTYXRUKQSA-N 331.349 2.427 0 1 EEAF CC(=O)O[C@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C 5857764 YJOWXMGENDGFDH-SJORKVTESA-N 346.335 2.500 0 1 EEAF biogenic CCOc1ccc(OCC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1 169293956 FYKKYJCPDCPXTN-JJXSEGSLSA-N 347.367 2.077 0 1 EEAF CNC[C@H](O)CN1CCc2c(cccc2OCc2ccc(F)cc2)C1 1857617312 YALVTUCSYPQWQV-SFHVURJKSA-N 344.430 2.343 0 1 EEAF NC(=O)c1cccc2[nH]c(-c3cccc(CN4CCOCC4)c3)nc12 26491799 CMBUUWJUNUVXHT-UHFFFAOYSA-N 336.395 2.161 0 1 EEAF CCO[C@@H](C=CC=C[C@@H](C)O)CCC=CC(=O)NCC(C)(C)O 2356284698 QYFDCLLLDJSPJX-CVEARBPZSA-N 325.449 2.108 0 1 EEAF O=S1(=O)COC[C@@H](COCc2ccc(-c3ccccc3)cc2)N1 58584051 TUNSVRLOFUHAHK-QGZVFWFLSA-N 333.409 2.146 0 1 EEAF CC(C)(C)OC(=O)N[C@@]1(C(=O)OCc2ccccc2)C[C@@H]1CC(=O)O 27881752 SWDHXFPCGSYHIG-UGSOOPFHSA-N 349.383 2.488 0 1 EEAF C[C@@H]1CCCCCCCCCC[C@H](O)[C@H](O)[C@@H](O)C=CC(=O)O1 2356472064 KECCBFYFEOTIBV-CVYDXHPNSA-N 328.449 2.472 0 1 EEAF COC(=O)C(C)=C1C(=O)O[C@]2(C)[C@@H]3C[C@@H]3C(C)(C)[C@@H]2[C@@H]1OC(C)=O 2356708522 SGOTZEIKTUEQEA-NIHMOXFXSA-N 336.384 2.015 0 1 EEAF C[C@@H]1C(=O)[C@@]23[C@@H](CC[C@H]1[C@H]2O)[C@@]1(C)C[C@@H](O)CC(C)(C)[C@H]1C[C@H]3O 503897978 WIGBRVUOWQUTIV-PENWNGSUSA-N 336.472 2.147 0 1 EEAF biogenic C/C=C1/CN2CC[C@@]34c5ccccc5N(C(C)=O)[C@@H]3[C@H](CO)[C@@H]1C[C@@H]24 238779523 IJTKEUDLEABZCZ-SHWDVMEGSA-N 338.451 2.322 0 1 EEAF CCCc1sc(N)nc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587012988 GBASYPYQEKUEEU-UHFFFAOYSA-N 326.389 2.197 0 1 EEAF Cc1ccc(NC(=O)CSCCc2nc3c(N)ncnc3[nH]2)cc1 586970727 PDODRZUAHMGJAD-UHFFFAOYSA-N 342.428 2.158 0 1 EEAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cnccc3[nH]2)cc1 587228202 IUJAKSSVOPJIIF-UHFFFAOYSA-N 339.355 2.456 0 1 EEAF CCOC(=O)c1[nH]cnc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437799 JZDRYUAZOIVGAM-HWPZZCPQSA-N 328.324 2.084 0 1 EEAF COc1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 586960194 WMMBOSKPMLKUAH-INIZCTEOSA-N 347.396 2.040 0 1 EEAF Cc1nc(-c2cnccn2)sc1-c1ccc2c(O)nc(O)nc2n1 587564882 YKRDIMYKIPRTAL-UHFFFAOYSA-N 338.352 2.325 0 1 EEAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)NCCc2nc3ccccn3c21 962991361 VGODWBDKCHXXQZ-FQEVSTJZSA-N 348.406 2.465 0 1 EEAF CC(=O)N1C[C@@H](CO)[C@@H](N(C)C(=O)C(C)(C)C)C[C@H]1c1ccccc1 169303058 SUHHOQOZRJEAIC-BZSNNMDCSA-N 346.471 2.462 0 3 EEAF CC(=O)Nc1cnc2nc(O)n(CCC3CCCCC3)c(=O)c2c1 1857540158 GQBSSSGCCPHHLQ-UHFFFAOYSA-N 330.388 2.426 0 1 EEAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1O 4153400 WBDPZUAJKIMBQJ-DOXZYTNZSA-N 346.427 2.246 0 1 EEAF CC(C)NC[C@@H](O)COc1ccc(CCOCCOC(C)C)cc1 6883978 LFIWBZTZJGEEDM-GOSISDBHSA-N 339.476 2.408 0 1 EEAF C[C@@](O)(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1 26006914 WYZBSOZDBDRPSQ-MSOLQXFVSA-N 345.349 2.352 0 1 EEAF Cc1nc(CCN(C)C(=O)Nc2n[nH]c(C3CCCCC3)n2)no1 23311364 IHPCJFASOSCIOU-UHFFFAOYSA-N 333.396 2.250 0 1 EEAF CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H](C(=O)c3ccccc3)O[C@@H]2O1 31872485 INTCVMYMFRDPEA-OLMNGRFOSA-N 334.368 2.266 0 1 EEAF Cn1cc(-c2cnn3c(N)c(C4CC4)c([C@@H]4CCCNC4)nc23)cn1 43152801 SRYUEFQETIIMNO-GFCCVEGCSA-N 337.431 2.056 0 1 EEAF COc1ccccc1CNc1nc(N2CCN(C)CC2)ncc1C 82202299 BSGXFCDVKMTEQX-UHFFFAOYSA-N 327.432 2.158 0 1 EEAF Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3S(=O)(=O)C2CC2)s1 299843716 WYZQDJMXUYMCQF-GJZGRUSLSA-N 326.487 2.197 0 1 EEAF Cc1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 586958869 MDVKYWLXRXBQTJ-MRXNPFEDSA-N 331.397 2.340 0 1 EEAF C[C@@H]1NC=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587798025 UDVQSPKESDEHNZ-CEFVDNRUSA-N 339.208 2.392 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CN2CCOCC2)N1 587774018 LKPYCYNXEZJWGD-ZWNOBZJWSA-N 343.240 2.496 0 1 EEAF CN1C(=O)C[C@@H]2CNC3(C[C@H]4CC(C(=O)O)C[C@@H]4C3)c3cccc1c32 963015793 BFXPGMXNFLOHHO-OTPGZYDWSA-N 340.423 2.456 0 1 EEAF N[C@@](CCc1cccc(C(F)(F)F)c1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O 13777393 SUBNOKFHGUEIMG-COPLHBTASA-N 331.290 2.141 0 1 EEAF C[C@@H]1C=C(OC=C2C(=O)O[C@@H]3C4=C(C[C@H]23)[C@@H](O)CCC4(C)C)OC1=O 2356598782 ARGBKKMNXCMJSK-MWRCMHLZSA-N 346.379 2.344 0 1 EEAF COc1c(OC)c([S@](C)=S)c2c(c1N(C)C)CCSC2=O 2356796649 NJSGCZBHXXOUIC-NRFANRHFSA-N 345.511 2.268 0 1 EEAF C[C@]1(CO)[C@H]2CC[C@@]34C=C[C@@](CO)(CC[C@H]3[C@@]23CC[C@@]1(O)OC3)C4 2356799213 UDLYZSYTTZQPRJ-MQXXQYSXSA-N 334.456 2.229 0 1 EEAF COC(=O)c1cc(OC)c(OC)c2oc3c(c(=O)c12)CO[C@@H](C)C3 2356807390 WHUYTPYGYBMSIJ-QMMMGPOBSA-N 334.324 2.058 0 1 EEAF COc1ccc(C(=O)Oc2coc3cc(O)cc(O)c3c2=O)cc1 49109963 NILOPQTUIXNAHZ-UHFFFAOYSA-N 328.276 2.432 0 1 EEAF CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccco4)c(C)nc23)C1 1911571455 BWVWJSPQZYKWNB-CQSZACIVSA-N 339.399 2.321 0 1 EEAF CC(=O)C[C@@H]1OC[C@H](C(C)C)N1S(=O)(=O)c1ccc(C)cc1 95605466 AUDKOMYHWQHSKB-CVEARBPZSA-N 325.430 2.346 0 3 EEAF Nc1ncccc1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 621428626 MZCQXMLDJIXKRC-UHFFFAOYSA-N 339.182 2.339 0 1 EEAF O=C(O)CSc1ncccc1-c1nc2cc3[nH]c(O)nc3cc2[nH]1 586969683 ZGCDPKRKLLVUOS-UHFFFAOYSA-N 341.352 2.384 0 1 EEAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CCCC(=O)CC3)[nH]c12 586883962 FMLVKYIQGIJLBJ-LLVKDONJSA-N 335.429 2.430 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccnc(OC)c2[nH]1 587229800 CCPWYTALMUJTHQ-RYUDHWBXSA-N 332.404 2.003 0 1 EEAF OC1(c2nc3c(Br)cnc(Cl)c3[nH]2)CCOCC1 586912874 HDDJOZVNGLTQSE-UHFFFAOYSA-N 332.585 2.372 0 1 EEAF O=C1C[C@]2(CC[C@H]3[C@H]2CN[C@H]3C(=O)O)Oc2c1ccc1c2CCCC1 587526244 QIEMNAROIUYIQW-XEQBAVFLSA-N 341.407 2.352 0 1 EEAF COC(=O)c1ccc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2n1 587926643 KSYJZRXVTGBKMZ-UHFFFAOYSA-N 343.339 2.437 0 1 EEAF O=C(O)[C@H](Cc1c(-c2ccccc2)nc2ccccn12)P(=O)(O)O 1772584663 ATCVFRLHYIBHSB-ZDUSSCGKSA-N 346.279 2.175 0 1 EEAF CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1cnccn1 13746257 ALVLVWKGWFQZHX-QHCPKHFHSA-N 327.413 2.036 0 1 EEAF CCOC(=O)c1cc(CCn2cnc3c2NC=NC[C@@H]3O)ccc1C 13807688 WSHDFHIQQMIDDD-HNNXBMFYSA-N 342.399 2.098 0 1 EEAF COc1cc(O)c2c(c1)OC[C@]1(Cc3cc(O)c(OC)cc31)C2=O 166439289 ZUCALEAIJCKIMQ-SFHVURJKSA-N 328.320 2.184 0 1 EEAF Nn1c(S)nnc1Cn1c(=O)cc(-c2ccccc2)c2ccccc21 1857610740 LRDNUUHTJBHKIK-UHFFFAOYSA-N 349.419 2.311 0 1 EEAF CC(Nc1ccc(S(N)(=O)=O)cc1)=C1C(=O)Nc2ccccc21 1857626903 ZQAZHQLWCKQXTD-UHFFFAOYSA-N 329.381 2.129 0 1 EEAF C[C@H]1CCCC[C@@H]1CN1C(=N)NC[C@@H]1CCCCN1CCNC1=N 1857638332 PYISUXIZCZXVID-XHSDSOJGSA-N 334.512 2.032 0 1 EEAF O=C1CCCN2N=C(SCC(=O)Nc3ccccc3)SC2=N1 425839 RLIJLCQUSBEKFA-UHFFFAOYSA-N 334.426 2.355 0 1 EEAF COc1cc2c(cn1)-c1nc(-c3ncnn3C(C)C)cn1CCO2 116315291 YFPOMNSTLHCCST-UHFFFAOYSA-N 326.360 2.186 0 1 EEAF C[C@]1(CO)CC(=O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 2356681814 GXISQCNZGGOFKX-ZSGYZSAGSA-N 336.472 2.294 0 1 EEAF O=C(Nc1cccc2cccnc12)c1csc(COCCO)n1 61896067 ADNXHEVIVVSSHQ-UHFFFAOYSA-N 329.381 2.453 0 3 EEAF O=C(N[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 34646614 UMNOHXLPNDJCMM-IBGZPJMESA-N 336.435 2.133 0 1 EEAF CCC(C)(C)[C@H]1CCc2n[nH]c(C(=O)NCCN3CCOCC3)c2C1 36387444 IWROADFZVPLNBU-AWEZNQCLSA-N 348.491 2.013 0 3 EEAF C=CC(=O)N1CCC[C@@H](Nc2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1 1911578162 VLXVMCBLCHFCRI-CYBMUJFWSA-N 340.427 2.473 0 1 EEAF CCN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc(C)c1 82147533 VVWRGGVLDZHZDB-UHFFFAOYSA-N 340.427 2.381 0 1 EEAF C=C(c1ccccc1OC[C@@H](O)CNC(C)C)n1ccc(=O)cc1 40466133 UHBBZGFATJWLFE-KRWDZBQOSA-N 328.412 2.105 0 1 EEAF Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1CC[C@@](C)(O)[C@@H](O)[C@@H]21 238758078 ZEHIXFMWFRDDON-MZWCALOPSA-N 343.423 2.315 0 1 EEAF Cn1cccc1C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 299842377 OAPQCBFNCWLZCB-HZPDHXFCSA-N 327.403 2.368 0 1 EEAF CC1=C(c2ccc3nc(-c4cccc(CO)c4)[nH]c3c2)NNC(=O)C1 586895526 LHIUGPCXIQKSII-UHFFFAOYSA-N 334.379 2.478 0 1 EEAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(C(=N)N)cc2[nH]1 587043492 RPEQLSYCBBOJFY-GFCCVEGCSA-N 331.445 2.467 0 1 EEAF CCS(=O)(=O)NCCCc1nc2ccc(Br)cc2[nH]1 586941949 FTPOSJMEIFWCGA-UHFFFAOYSA-N 346.250 2.197 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C3 587557019 FJOQVAQYMRVHMI-UKRRQHHQSA-N 334.379 2.208 0 1 EEAF CN1C(=O)C[C@H]2CN[C@H](c3ccc(Cl)nc3N)c3cccc1c32 963031559 REJZQVKWPUUEKS-FVMDXXJSSA-N 328.803 2.460 0 1 EEAF C[C@@H]1CCCC[C@H]1NC(=O)Cn1ncn2c(cc3sccc32)c1=O 5108375 ACXICIKZWMFVMH-VXGBXAGGSA-N 344.440 2.406 0 1 EEAF C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[C@H](N)C(=O)N1CCCC1 14948419 RGWBJAGZBBAPJX-GWCFXTLKSA-N 334.807 2.443 0 1 EEAF CN(C)CCNC(=O)c1cccc2nc3c(nc12)-c1ccccc1C3=O 1636752 QBFJJQWOTWRKPL-UHFFFAOYSA-N 346.390 2.133 0 1 EEAF CC1(C)O[C@@H]2O[C@H](C(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 1651479 INTCVMYMFRDPEA-CWVYHPPDSA-N 334.368 2.266 0 1 EEAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2cccnc2)CC[C@@]1(C)O 2356288927 MUPNFNCDYLAJBM-XUVXKRRUSA-N 339.439 2.284 0 1 EEAF COc1ccccc1-c1cn2c(n1)CO[C@H](CNC(=O)NC(C)C)C2 2356299293 DZQLYHBDOQMVSU-CYBMUJFWSA-N 344.415 2.165 0 1 EEAF COc1cccc([C@H]2[C@H]3C(=NN2C(C)=O)C2CCN3CC2)c1OC 20437741 PKDFJLIMQYVKMO-DLBZAZTESA-N 329.400 2.057 0 1 EEAF OC[C@@H]1CC[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)O1 29336826 FTFUACKLTUPQQG-KBPBESRZSA-N 325.372 2.108 0 1 EEAF COC1=C(C)C(=O)OC1=C1O[C@@]23CCCN4CCC[C@H](O2)[C@H]4[C@H]3[C@@H]1C 2356537934 LXAQGNNSRKLTLE-UVRVRNFRSA-N 347.411 2.311 0 1 EEAF O=C(N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OCc1ccccc1)C1CCCCC1 2356821387 GAFWCYZUHSMQLW-AKHDSKFASA-N 345.439 2.435 0 1 EEAF Brc1cc(N2CC[C@@H]3CN[C@@H]3C2)cnc1Br 35080282 VBSTVVDALUYNRL-GMSGAONNSA-N 347.054 2.405 0 1 EEAF CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)O 84723170 UZRWZBOFFQXLFH-UHFFFAOYSA-N 334.353 2.009 0 1 EEAF CCC(CC)C(=O)N1CC[C@@H]2NC(=O)N(c3ccccc3)C(=O)[C@@H]21 25410267 IDZZATKCMVWDHK-LSDHHAIUSA-N 329.400 2.149 0 1 EEAF biogenic CN1C(=O)N(CCF)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95566102 GQOHESCJXZFMGW-LBPRGKRZSA-N 348.205 2.315 0 1 EEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3ncc(Cl)cc3[nH]2)c1 586936190 NUMAPTGKDKJOFQ-UHFFFAOYSA-N 339.808 2.293 0 1 EEAF CCOC(=O)c1c(-c2cnn(C)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650963 IZYUESJRYULSDT-UHFFFAOYSA-N 347.396 2.149 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C)[C@H](C(=O)OC)C1)CC2=O 587476019 NZLXKMIDMHVHMU-IFXJQAMLSA-N 347.411 2.316 0 1 EEAF Cc1cc2nc([C@@H](N)CCCNC(N)=O)[nH]c2cc1Br 587260214 TXAOVTGBVDJEGV-VIFPVBQESA-N 340.225 2.082 0 1 EEAF CN(C)c1ccc([C@@H](Cc2ccccc2)[C@H]2NC(=S)NC2=O)cc1 5549654 QYIJHYMUTGAMGF-IAGOWNOFSA-N 339.464 2.452 0 1 EEAF CN(C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1)C1CCOCC1 11879993 HJMOEZANISGMDQ-OAHLLOKOSA-N 348.418 2.202 0 3 EEAF O=c1c2c(nc3ccccn32)n(Cc2ccccc2)c(=O)n1CC1CC1 13475103 SGNCTBLOFLIZCK-UHFFFAOYSA-N 346.390 2.269 0 1 EEAF COc1ccc([C@@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@H]32)cc1OC 1857612352 STYQXJWXWGSXLK-HUUCEWRRSA-N 327.340 2.126 0 1 EEAF C[C@@H]1CCC[C@H](CCN2C(=N)NC[C@@H]2CCCCN2CCNC2=N)C1 1857751253 DWNKCFMABVEJRS-ZACQAIPSSA-N 348.539 2.422 0 1 EEAF CCNC(=O)C1CCN(c2nnc(-n3c(C)ccc3C)s2)CC1 6806116 ZKKYAYYEOADYHE-UHFFFAOYSA-N 333.461 2.298 0 1 EEAF CCCCCO/C(O)=C1\C(C)=N[C@@]2(O)c3ccccc3C(=O)[C@@]12O 104070537 HAELVZBIHRISLW-QUSVSHMOSA-N 331.368 2.210 0 1 EEAF CC1=CC2=c3ccccc3=N[C@@H](c3cn(-c4ccccc4)nc3C)N2N1 104008938 GGAJKKKDGSLKCG-OAQYLSRUSA-N 341.418 2.345 0 3 EEAF COCCCn1c(=O)cc(NCCCCc2ccccc2)[nH]c1=O 26576597 OEGWCMDZRFBPMC-UHFFFAOYSA-N 331.416 2.008 0 1 EEAF CN(CCCNCc1ccccc1)c1nc(-n2ccnc2)ns1 38266566 BPGNDAYVHOVZHS-UHFFFAOYSA-N 328.445 2.340 0 1 EEAF CCc1cc(OC)c(OC)c(C(=O)NC[C@H]2CCCN2CC)c1O 34343071 NHGHSSSIIOPHJZ-CYBMUJFWSA-N 336.432 2.186 0 1 EEAF CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(N)=O)cs1 82071596 XFBNCQRCEZHKPF-LBPRGKRZSA-N 349.481 2.223 0 1 EEAF O=C(N[C@@H]1CN2CCC1CC2)c1cn(CC(F)F)c2ncccc12 142011861 XWIOHHYXJSQECA-CQSZACIVSA-N 334.370 2.125 0 1 EEAF COc1cccc(C2=NCC(=O)N3CCc4c(OC)cccc4C3=C2)n1 149208746 FCENUTVRDWWAEL-UHFFFAOYSA-N 349.390 2.327 0 1 EEAF CC(C)(C)OC(=O)N[C@H](CCOC(=O)Cc1ccccc1)C(=O)O 95067979 SVVOGGWJISBWFA-CYBMUJFWSA-N 337.372 2.140 0 1 EEAF C=CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(OC(C)C)cc2)C1 618017709 OFLJGQLJFCNTCF-CYBMUJFWSA-N 338.429 2.208 0 1 EEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(CCO)cc2[nH]1 587224823 KJVYHVLANLUEDC-CYBMUJFWSA-N 339.395 2.181 0 1 EEAF CC(=O)NC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587752215 DESFRTURDDUQPQ-CLAHSXSESA-N 329.213 2.474 0 1 EEAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586908696 CQYZYOBKHKLQBL-SWLSCSKDSA-N 337.445 2.486 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4cnnn4)cc1)[C@@H](C2)C3=O 587439910 XNQNOGDVCWJJCN-HNAYVOBHSA-N 348.362 2.334 0 1 EEAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587168749 LBJMFLLEGBHTFV-SECBINFHSA-N 335.360 2.489 0 1 EEAF CCOC(=O)C(F)(F)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418168 BAWLJWVNHATZHQ-MEBBXXQBSA-N 326.295 2.400 0 1 EEAF C[C@H](Cc1nc2cc(I)cnc2[nH]1)N(C)C 587192623 XBSKTZHYDFJLGK-SSDOTTSWSA-N 330.173 2.055 0 1 EEAF CC(C)(C)OC(=O)NC1(c2nc3ncc[nH]c-3n2)CCC(=O)CC1 587234502 OBXUMICHXFDCEH-UHFFFAOYSA-N 331.376 2.168 0 1 EEAF CC(C)(C)OC(=O)[C@@]1(C2=COCC2)NCCc2c(C(=O)O)cccc21 963131082 MGBBSENEFTUHMG-IBGZPJMESA-N 345.395 2.372 0 1 EEAF NS(=O)(=O)Oc1ccc2c(c1)[C@H](O)C[C@@H](C1CCCCC1)O2 13491349 IKIRYZIIGCYLSJ-HIFRSBDPSA-N 327.402 2.034 0 1 EEAF N=C(N)c1ccc2c(C(=O)NCCCCCCC(=O)O)c[nH]c2c1 13764987 VRUKHGBNBGNBNZ-UHFFFAOYSA-N 330.388 2.217 0 1 EEAF CCn1c(SCC(=O)Nc2nonc2C)nnc1-c1ccoc1C 4411602 VWTURHSBXHYSAL-UHFFFAOYSA-N 348.388 2.289 0 3 EEAF O=C(Cn1c(=O)sc2ccccc21)NCCOc1ccccc1F 2461529 QULUKOICHFEIJD-UHFFFAOYSA-N 346.383 2.397 0 3 EEAF COc1cccc(C[C@H]2COC(=O)[C@]2(O)Cc2cccc(OC)c2)c1 6041930 PNXSOUWKEOHIBR-JXFKEZNVSA-N 342.391 2.393 0 1 EEAF NC(=O)c1cccc2c(N[C@@H]3CNC[C@H](c4ccccc4)C3)ncnc12 114348329 YEVTXUFUOGTALP-CABCVRRESA-N 347.422 2.286 0 1 EEAF COC(=O)[C@@H]1[C@H]2[C@@H]3C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@H]2C)[C@H]34 2356558443 AIOHHTSDUPUMNK-DPUZVJJESA-N 336.435 2.418 0 1 EEAF CCOc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)ccn1 117726390 WBRDEYVGYUYWCT-MRXNPFEDSA-N 327.384 2.394 0 1 EEAF COc1cc2c(cc1O)OC[C@H](c1cc3c(cc1O)OCO3)[C@H]2O 2356856873 SEFIKYKGOWKGJE-QGHHPUGFSA-N 332.308 2.045 0 1 EEAF [O-][n+]1onc(-c2ccccc2)c1CN1CCN(c2ccccc2)CC1 39137159 HJRNTGHHHMLMGP-UHFFFAOYSA-N 336.395 2.297 0 1 EEAF C1CCCC(N2CN=C(N[C@@H]3N[C@@H]4CCCC[C@@H]4S3)NC2)CC1 72104350 VWYPFCRPUPGYHO-VYDXJSESSA-N 337.537 2.406 0 1 EEAF CC(=O)N1CCC2(CC1)C[C@@H](NC(=O)C(C)C)[C@@H]1CCCC[C@H]1O2 257290266 QCFABWOCUPEKGR-GVDBMIGSSA-N 336.476 2.487 0 1 EEAF CCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H](C)C[C@H](C)C(=O)O 253684066 FYGXHTCBEFEFEV-XUJVJEKNSA-N 333.384 2.254 0 1 EEAF CNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C 299855114 BATZQGGRFMDWHJ-UHFFFAOYSA-N 343.412 2.110 0 1 EEAF CC(C)(C)OC(=O)N(Cc1nc2cncnc2[nH]1)C[C@H]1CCCO1 587197269 NJGVYMCLWHZRAO-LLVKDONJSA-N 333.392 2.269 0 1 EEAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(N)ncc3[nH]2)C(F)(F)C1 587131721 BQZLKHGUIZWTSV-MRVPVSSYSA-N 339.346 2.510 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc1 586950399 GFRZSKMABISMBK-UHFFFAOYSA-N 343.368 2.183 0 1 EEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cnc3ccccc3c2[nH]1 587202307 CJAVMXLPMJHLRS-CYBMUJFWSA-N 339.399 2.190 0 1 EEAF CC(=O)OC[C@H]1O[C@@H](c2ccc(C(C)=O)cc2)C=C[C@@H]1OC(C)=O 13783015 BKSSBIOYXWUVQT-FGTMMUONSA-N 332.352 2.380 0 1 EEAF O=[S@](CCCNC[C@H](O)COc1ccccc1)C1CCCCC1 169331481 WDOFYVKUULNTKO-QMHKHESXSA-N 339.501 2.487 0 1 EEAF O=C(c1csnn1)N1CCC2(CCCN(c3ccncc3)C2)CC1 3956243 WQTUIPSVKDYAQA-UHFFFAOYSA-N 343.456 2.456 0 1 EEAF O=P(O)(O)[C@@H](Cc1cccc(-c2ccccc2)c1)S(=O)(=O)O 13673823 VOMUWPIMENALLG-CQSZACIVSA-N 342.309 2.288 0 1 EEAF O=C1C=C2C(=CCO[C@@H]2OC(=O)c2ccc(Br)cc2)O1 6535418 XICXFFJDFFKUFW-CQSZACIVSA-N 337.125 2.329 0 1 EEAF CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCO 103264017 STKCEXWJBRFRKU-UHFFFAOYSA-N 342.399 2.288 0 1 EEAF O=P(O)(O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1 26002124 ZMEJOIYGSSKOQA-OAHLLOKOSA-N 344.311 2.371 0 1 EEAF CCCc1nc2c3c(cc(F)c2n1C)c(=O)c(C(=O)NC)cn3CC 40943207 GOPVTDVAXNQCRQ-UHFFFAOYSA-N 344.390 2.359 0 1 EEAF CN1CCC=C([C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)C1 40875885 WKNNFHUIZFRHBO-MRXNPFEDSA-N 335.448 2.485 0 1 EEAF C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCc1ccco1 82082998 PCHKEEAETUVLHH-SNVBAGLBSA-N 345.380 2.431 0 1 EEAF CN(C)CCN1C(=O)[C@H](c2ccccc2)Oc2ccc(CO)cc21 238779831 XLVMAYDJKMVLLN-SFHVURJKSA-N 326.396 2.207 0 1 EEAF Cc1cn2c(=O)c(-c3ccnc(NC4CCOCC4)n3)cnc2s1 299850252 UEUPKCOSVVIWOM-UHFFFAOYSA-N 343.412 2.112 0 1 EEAF COc1cc2c3c(c1)OC1(CCN(C(=O)C(C)C)CC1)[C@@H](C2)C3=O 587439088 SZIILIHETUCLCA-AWEZNQCLSA-N 329.396 2.460 0 1 EEAF Nc1nc(O)c2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2n1 587120448 JIZYVERTEYYJMW-UHFFFAOYSA-N 335.249 2.203 0 1 EEAF Cc1c(-c2ccc3c(O)nc(O)nc3n2)nnn1Cc1ccccc1 587558466 SGPITRUINGBORI-UHFFFAOYSA-N 334.339 2.051 0 1 EEAF O=C(O)c1ccc(O/C=C2/NNC(=S)N2c2ccccc2)cc1 957883985 BKKRMDWVVZXYOR-UVTDQMKNSA-N 327.365 2.462 0 1 EEAF CN1[C@H](c2ccncc2F)c2ccc3cccnc3c2NS1(=O)=O 205637213 STMAMWKIGUATRK-MRXNPFEDSA-N 344.371 2.460 0 1 EEAF O=C(O)C[C@@](O)(CSCCCCCc1ccccc1)C(=O)O 13758228 QGUXUSKYVAIZLD-MRXNPFEDSA-N 326.414 2.423 0 1 EEAF CNC(=O)C1(N2CCC[C@@H]2C(=O)NCc2ccccc2)CCCCC1 2356299084 VVNVRLGDKBVYNG-QGZVFWFLSA-N 343.471 2.216 0 1 EEAF C[C@]12CCC[C@]3(C)C1=C(C[C@@H]1C[C@H]4C[C@@]13[C@@H](O)C[C@]4(O)CO)OC2 2356324271 IFKUIJZGXPLIFR-PRWVXVLXSA-N 334.456 2.372 0 1 EEAF O[C@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 58548471 HKIWVNOCBNBVAO-GBESFXJTSA-N 325.408 2.416 0 1 EEAF CCCn1c(=O)c2[nH]c(-c3cccnc3Cl)nc2n(CCC)c1=O 26651782 DOSGHZWNKUURKO-UHFFFAOYSA-N 347.806 2.422 0 1 EEAF CC/C=C/C(=O)NCCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26503529 JVFUZYWHCQKPEN-RDFMZFSFSA-N 348.424 2.042 0 1 EEAF C[C@H](CO)[C@@H]1[C@H](O)[C@H](O)C2=CC3=C(CO)CCC[C@]3(C)CC[C@@]21C 2356583902 MLRHGLBUEINMPQ-HYUUUNMBSA-N 336.472 2.172 0 1 EEAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)Cc2cccc(OC)c2)C1 61926039 WLAFTGDQFHCEJP-IBGZPJMESA-N 332.444 2.393 0 3 EEAF CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@H](OC)COC(=O)C/C=C/[C@H]1C 33943466 XHGSXZXWBLXYTP-SBPSCXGKSA-N 340.416 2.281 0 1 EEAF C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@@H]1CC[C@@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO 40464977 NOFOAYPPHIUXJR-HUGLTUCRSA-N 338.488 2.086 0 1 EEAF Oc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn12 45284230 NYLTZSWXKJWKOY-UHFFFAOYSA-N 348.410 2.238 0 1 EEAF CCN(C)c1ncc(C(=O)NCCOC)c(-c2cccc(C)c2)n1 82147467 RWIDSACAQAJXSX-UHFFFAOYSA-N 328.416 2.284 0 1 EEAF CC(C)[C@@H]1COCc2cn(nn2)CC[C@H](Cc2ccccc2)C(=O)N1 95898400 QOGRSGMMWNTNNL-AEFFLSMTSA-N 342.443 2.198 0 1 EEAF C/C=C/C[C@H](O)C(=O)[C@H](C)CCC[C@]1(C)CO[C@@H](CC(=O)O)CO1 253853366 AHOVOJJBJRQBJK-FQULRJTLSA-N 342.432 2.338 0 1 EEAF COc1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1 473137657 YZRHHOMSYGADKV-UHFFFAOYSA-N 325.357 2.185 0 1 EEAF CCN(CC)C(=O)c1cc(C2(C)CCN(C(C)=O)CC2)nc(C)n1 299851116 XJIQAANFQWDIJP-UHFFFAOYSA-N 332.448 2.167 0 1 EEAF C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12[C@@H](O)OC[C@@H]1C(C)(C)CC[C@@H]2OC3=O 653739748 KUYKREFAEVXJRQ-QSQDYSFQSA-N 348.439 2.305 0 1 EEAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)nccc3[nH]2)cc1 586940173 WLOFLHNSQJBRRW-JTQLQIEISA-N 346.412 2.407 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@H](CN(C)C(=O)OC(C)(C)C)NCC2 962933209 SORGCYSPBLCMRX-INIZCTEOSA-N 347.459 2.442 0 1 EEAF O=c1c2ccccc2nnn1Cc1ccc[n+](Cc2ccccc2)c1 1857589979 WOLZUUPSUACOGH-UHFFFAOYSA-N 329.383 2.176 0 1 EEAF CCOC(=O)CCC(=O)Nc1cc(NCCc2cccs2)ncn1 1857652655 PKWRGCKFCZPYMH-UHFFFAOYSA-N 348.428 2.475 0 1 EEAF O=C(C1CCOCC1)N1C[C@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356302117 MDURNNFKSZAGNG-XJKSGUPXSA-N 347.390 2.055 0 1 EEAF CCc1cc2c(cc3c(=O)n(CC(=O)N[C@@H](C)CC)ncn32)s1 6749529 KOFWZJUBFACSHE-JTQLQIEISA-N 332.429 2.188 0 1 EEAF CC[C@H](CO)N(Cc1ccccn1)C(=O)c1ccc2c(c1)CCO2 55183327 HSFHBXNKBVISJM-QGZVFWFLSA-N 326.396 2.430 0 1 EEAF CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cccc(OC)c1OC 101873555 BTRMJSCMTQSDMB-UESPBHMZSA-N 345.359 2.192 0 1 EEAF O[C@@H]1C[C@@H]2CC[C@@H]3N4CCC[C@@H]5CCC[C@@H]([C@@H]6OC[C@@H](C1)[C@@H]2N63)[C@@H]54 2356390100 QGSCHHAXALLULW-JNWBVZSBSA-N 332.488 2.415 0 1 EEAF COC(=O)[C@]1(C)[C@@H]2CC[C@@]3(C)c4ccccc4[C@](C(=O)OC)(O2)[C@H]13 2356698600 DYMXMMCLVZEEAF-HLQCWHFUSA-N 330.380 2.314 0 1 EEAF COc1cc(OC)c2ccn(S(=O)(=O)c3ccc(N)cc3)c2c1 34875247 GTDHPCFMUPOARR-UHFFFAOYSA-N 332.381 2.478 0 1 EEAF CCCN1C=C2C(=Nc3ccc(F)cc3N=C2N2CCN(C)CC2)N1 39336556 RQHXFSWHDAJVFR-UHFFFAOYSA-N 342.422 2.261 0 1 EEAF COc1cc(CNc2ncnc3c2ncn3[C@@H]2CCCO2)ccc1O 40407189 DUVOICBNUVYPIL-AWEZNQCLSA-N 341.371 2.462 0 1 EEAF Cc1cccc(N2CCN(S(=O)(=O)c3cccc(O)c3)CC2)c1 322059400 BZYYISNIRIHMFT-UHFFFAOYSA-N 332.425 2.212 0 1 EEAF C[C@@]1(CO)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]12)C[C@]4(O)CO 238746386 WAAHRCXULJPVOJ-KLEXHFHZSA-N 336.472 2.294 0 1 EEAF CN(CCCN(C)c1ccc(C(=N)N)cc1)c1ccc(C(=N)N)cc1 473087655 GFMNLGJZENOYFJ-UHFFFAOYSA-N 338.459 2.217 0 1 EEAF C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C(N)=O)nn4C)c2N1 653900951 SYEXTYCMJGDJHE-SNVBAGLBSA-N 349.394 2.482 0 1 EEAF Nc1[nH]cnc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1N 587624158 YRRWIPYTNMDNSZ-UHFFFAOYSA-N 332.165 2.361 0 1 EEAF CNC(=O)COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587387440 PXFCKKWPTXNCFB-QGZVFWFLSA-N 340.379 2.409 0 1 EEAF Cc1c(O)ccc2c1[C@](C)(C1=CCC[C@@H]3CC[C@H]1N3)N[C@H](C(=O)O)C2 963506122 FOHDWVQOBVEJOC-NEVJAFOQSA-N 342.439 2.356 0 1 EEAF COc1cccc(F)c1CNC(=O)Nc1cc2[nH]nc(N)c2cn1 1772587401 PCFNZMSAKMLVHY-UHFFFAOYSA-N 330.323 2.010 0 1 EEAF CC1(CNC(=O)[C@H]2CCC(=O)N(CCCc3ccccc3)C2)COC1 12744558 UIVMGSNAJFOYDJ-KRWDZBQOSA-N 344.455 2.011 0 1 EEAF CN1CCN(Cc2cccc(Cl)c2Cl)[C@@H](C2=NCCN2)C1 169315109 YRSWRYKABHGQFC-CYBMUJFWSA-N 327.259 2.111 0 1 EEAF O=C1CC[C@]23Cc4ccc(O)cc4[C@]2(CCN(CC2(O)CC2)C3)C1 169370833 HIXLAMQESUHGDK-QUCCMNQESA-N 327.424 2.156 0 1 EEAF C[C@H]1CCCCN1S(=O)(=O)c1ccc(-n2c(O)ccc2O)cc1 169729716 BCICUBARCLSFCL-LBPRGKRZSA-N 336.413 2.452 0 1 EEAF CC(C)Cc1nc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 1491300 LZUKJEWZDDXDOJ-UHFFFAOYSA-N 348.350 2.283 0 1 EEAF CO[C@@H]1C=C[C@](C)(O)CCC(=O)O[C@@H](C)[C@@H](C)CCC=C1CO 2356320459 JCTFLSMEBFVVHP-KMCQBPLKSA-N 326.433 2.369 0 1 EEAF CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1cc(C)n(C(C)(C)C)n1 61897784 QZMYJJPYPULRAX-GOSISDBHSA-N 334.464 2.467 0 3 EEAF COc1cc(CN2c3ccccc3C(=O)CS2(=O)=O)cc(OC)c1 61943370 DOYAFDHFPWULLP-UHFFFAOYSA-N 347.392 2.237 0 3 EEAF Cc1cc2[nH]c(=NC(=O)[C@]3(C)CCN3C(=O)C(C)C)[nH]c2cc1C 61897540 VAGVSVYNGHIFRP-SFHVURJKSA-N 328.416 2.187 0 3 EEAF CCCNCCCNCCN1C(=O)c2cccc3cccc(c23)C1=O 70462979 UDTWLMJTYVIYFF-UHFFFAOYSA-N 339.439 2.415 0 1 EEAF CN(C)CCn1cc(S(=O)(=O)c2cccs2)c2cccnc21 45253705 UMIQCSRFYTVZEC-UHFFFAOYSA-N 335.454 2.492 0 1 EEAF CC(C)(C)c1ccc(OCCCON2C(N)=NC(N)=NC2(C)C)cc1 45189807 ZENNUVZDUDBCDV-UHFFFAOYSA-N 347.463 2.366 0 1 EEAF CC(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1Cc1cccnc1 95599010 SBDNUKGEMJDYJL-INIZCTEOSA-N 334.383 2.394 0 3 EEAF COc1ccc2c(c1)[nH]c(=O)n2Cc1cc(OC)c(OC)c(OC)c1 96926916 HPEASKXOSUJGLS-UHFFFAOYSA-N 344.367 2.412 0 1 EEAF CC(C)NC(=O)N(C)C[C@H]1Oc2ccccc2C(=O)N(C)C[C@@H]1C 95660945 BDHZPLMJHRFXPS-XJKSGUPXSA-N 333.432 2.206 0 1 EEAF CC(=O)c1cccc([C@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)n1 963472294 PVFDZANXKREYRW-HNAYVOBHSA-N 340.379 2.161 0 1 EEAF CCCN1C(=O)c2cc(Cl)c(Cl)cc2[C@]12CC(=O)NC2=O 13651396 IXVFQRLRMJWNLJ-AWEZNQCLSA-N 327.167 2.101 0 1 EEAF CNC[C@H](O)CN1CCc2c(cccc2OCc2ccccc2)C1 1857610223 CGJIWTRLYJJMPK-SFHVURJKSA-N 326.440 2.204 0 1 EEAF C[C@]1(CO)C(=O)CC[C@]2(C)[C@H]1CCC1=C[C@H]3C[C@@]12CC[C@@]3(O)CO 2356325555 PRQDTDUAOQWUMJ-RJDOWDFHSA-N 334.456 2.214 0 1 EEAF Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCN(C)C)sc3c2c1 6738592 ZVEFOGHIFGYELY-UHFFFAOYSA-N 329.425 2.343 0 1 EEAF COc1ncc(Nc2nc(C)ccc2-c2nc(C)nc(N)n2)cc1F 113153247 AZUVJJIOPMFHJW-UHFFFAOYSA-N 341.350 2.419 0 1 EEAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cc(F)ccc2C)C1 61896783 WEXVQCJTAWVBQW-SFHVURJKSA-N 336.407 2.139 0 3 EEAF CCCCN1C(=O)C(c2ccccn2)(c2ccccn2)NC1=S 27996295 OZZCRIYNTPXBKJ-UHFFFAOYSA-N 326.425 2.237 0 1 EEAF CC=C1C[C@H]2C[C@H]3N1CC[C@]31C(=O)c3ccccc3N1[C@H]2C(=O)OC 2356615004 RLYVFQYPWUGRNE-XZVYQEECSA-N 338.407 2.371 0 1 EEAF COc1cc2c3c(c1O)[C@]1(CCC(=O)[C@H](OC)C1)C[C@@H]3N(C)CC2 14687750 URYIHIIOFWGCIU-IOHHAYIISA-N 331.412 2.339 0 1 EEAF biogenic O=S1(=O)CCSCCN1Cc1ccc(Br)cc1 72138477 HBNMTXBOKICAJF-UHFFFAOYSA-N 336.276 2.328 0 1 EEAF CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1csc(CC)n1 82070527 PWWSZTLUOOZUMN-GFCCVEGCSA-N 341.477 2.147 0 1 EEAF COC(=O)[C@H]1C[C@@]23C=CCN4C[C@@H]([C@@H]2C)[C@]2(c5ccccc5N[C@H]12)[C@@H]43 195427336 AXEOWLVNPZQDNZ-MWOSNDRHSA-N 336.435 2.418 0 1 EEAF COc1ccc(CN2C(=O)CSC[C@]2(C)C(=O)NC(C)C)cc1 199231200 GKFHJDRJPPELQD-QGZVFWFLSA-N 336.457 2.054 0 3 EEAF Cc1nnc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)o1 142082336 GYHCFZKUTSEBCZ-GXSJLCMTSA-N 332.364 2.322 0 1 EEAF CCOC(=O)C1=C(O)[C@@H]2[C@H]3C[C@H]4[C@@H]2C(O)=C(C(=O)OCC)[C@@H]2[C@@H]1[C@@H]3[C@H]24 263596890 GDMNLDOPKZZEJL-YMIOKWHTSA-N 346.379 2.125 0 1 EEAF C[C@H](CCCCCC/C=C/C(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O 263614566 NEVPBIQTDNVVMK-DMTBWHRTSA-N 330.421 2.230 0 1 EEAF in-vitro CCCCNC(=O)C1=Cc2cc(Br)ccc2S1(=O)=O 473154193 FAZOYGBCDIKIBT-UHFFFAOYSA-N 344.230 2.494 0 1 EEAF O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 299885592 VRRUDEDVPFXHEH-FMKPAKJESA-N 338.363 2.115 0 1 EEAF COC(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 587128483 NXSZAYJFXQLVPI-UHFFFAOYSA-N 344.281 2.392 0 1 EEAF CCOC(=O)Cc1ccc2nc(-c3nc(Cl)cnc3N)[nH]c2c1 587086386 IGWMSUHQHMOQFF-UHFFFAOYSA-N 331.763 2.361 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1=NCCCN1 587869560 KMWNTLCGIUUZEJ-UHFFFAOYSA-N 325.294 2.170 0 1 EEAF Nc1cccc(C(=O)O)c1-c1nc2nc(Br)c[nH]c-2n1 587248357 OAYJJYTYSIMQRF-UHFFFAOYSA-N 334.133 2.014 0 1 EEAF Nc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cn1 587119347 WKGCJLOFUZDTSK-UHFFFAOYSA-N 349.276 2.459 0 1 EEAF CCc1cc(O)nc(SCc2nc3cccc(C(N)=O)c3[nH]2)n1 586966212 BDLFJRFZWUGNAB-UHFFFAOYSA-N 329.385 2.012 0 1 EEAF Cc1cc2c(cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C)OCC(=O)N2 6873771 UCEFRFRCAYGGMC-JQWIXIFHSA-N 338.429 2.183 0 3 EEAF O=S(=O)(CC=CCS(=O)(=O)c1ccccc1)c1ccccc1 1857741924 OFNJLSLOMXPHAG-UHFFFAOYSA-N 336.434 2.490 0 1 EEAF CC(C)[C@@]1(O)CC[C@]2(C)C[C@H]3[C@@H]([C@H](O)C[C@H]3CO)[C@@](C)(O)CC=C12 1857765243 NYVUJKBYRUEZKI-CXICKFFISA-N 338.488 2.250 0 1 EEAF Fc1ccc2nc(CO[C@H]3CN(Cc4ncc[nH]4)C[C@@H]3F)[nH]c2c1 2356302286 QOPDIACWLAQIIQ-FZMZJTMJSA-N 333.342 2.164 0 1 EEAF C=CC(=O)Oc1ccc([C@H]2[C@@H](OC(=O)C=C)C(=O)N2SC)cc1 28816442 XRBQDKJWIBCISV-LSDHHAIUSA-N 333.365 2.037 0 1 EEAF Cc1ncc(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)c(C2CC2)n1 101550411 NDLBUZLXSKJVNF-OSLCJFIRSA-N 327.428 2.332 0 1 EEAF C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@@H]1CC[C@@H]1C[C@H]3C[C@@]12CC[C@]3(O)CO 100744592 NOFOAYPPHIUXJR-BOIBCYCESA-N 338.488 2.086 0 1 EEAF in-vivo O=C1[C@H]2C=C(Br)[C@@H](C[C@@H]2OCCCCCCO)[C@]12CO2 101618689 VHTXGBQCZVQBHU-YODMDTAWSA-N 345.233 2.191 0 1 EEAF COc1ccc(CC(=O)Nc2ccsc2-c2n[nH]c(N)n2)cc1 64559382 AFCVEHHRQVGWID-UHFFFAOYSA-N 329.385 2.305 0 1 EEAF COc1cccc2c1C=C([N+](=O)[O-])[C@@H]1C2=C2OCOC2=C[C@@H]1C(=O)O 28115030 XFZJGZRXKHUYSB-IINYFYTJSA-N 343.291 2.256 0 1 EEAF CN(Cc1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 27110187 VINGRRUDLOWJBL-KRWDZBQOSA-N 338.407 2.400 0 1 EEAF CC1(C)[C@H](O)CC[C@]2(C)C3=CC[C@](C)([C@H](O)CO)C[C@@H]3[C@H](O)C[C@@H]12 2356806408 AGLNNHMUZJAUFJ-ZNHNGEMDSA-N 338.488 2.250 0 1 EEAF CCCCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 82141785 JVBDTDRJYKGNRT-UHFFFAOYSA-N 330.388 2.103 0 1 EEAF COc1cccc(/C=C/Cn2cccc(/C=C/C(=O)NO)c2=O)c1 143878500 FNNRCYHMEPQTJK-YGTBBBQQSA-N 326.352 2.089 0 1 EEAF O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)[C@H]1COCC[C@@H]1N=C2 140078715 PHYVZWNIDCNYML-STQMWFEESA-N 335.310 2.072 0 1 EEAF CCc1c(CC(=O)N[C@@H]2CCOC2=O)[nH]c2cc(Cl)c(F)cc12 587631170 ILCLLAJQYTYJOC-GFCCVEGCSA-N 338.766 2.497 0 1 EEAF COC(=O)c1cc2[nH]c([C@@H](O)c3cccc(O)c3)nc2cc1OC 586888896 DHPACSCEWHBWQD-HNNXBMFYSA-N 328.324 2.145 0 1 EEAF N=C(N)c1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587228252 LDEMBZLSZKSTEV-UHFFFAOYSA-N 337.383 2.316 0 1 EEAF COc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c(C)c1 587560241 YUXXTWBXRJRLNN-UHFFFAOYSA-N 341.323 2.047 0 1 EEAF O=C1C[C@H](c2nc3cnncc3[nH]2)CN1Cc1ccc(F)cc1F 587150891 VGRIHARQHAHDRK-JTQLQIEISA-N 329.310 2.147 0 1 EEAF O=C1O[C@@H](c2ccc(O)cc2)[C@H](C(=O)O)/C1=C\c1ccc(O)cc1 13385271 VCGDDWQSRJLRHG-MMJTVPDGSA-N 326.304 2.480 0 1 EEAF N[C@H]1C=C(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 13651582 MERIRYSIMGJDOM-SECBINFHSA-N 329.331 2.073 0 1 EEAF CC(C)CC(=O)Nc1cc(=N)c2ncc3cc(C(=O)CCO)[nH]c1c32 2356342747 FZPONVVEXPOBSH-UHFFFAOYSA-N 340.383 2.183 0 1 EEAF COC(=O)c1ccc2c(c1)[C@H](N1CCCCC1=O)[C@H](O)C(C)(C)O2 26280902 VZWFLKDQNQFXCO-HOTGVXAUSA-N 333.384 2.059 0 1 EEAF COCCc1ncc(CN2CC[C@]3(CCCN(CC4CC4)C3)C2)cn1 55072622 YMUXLZJXHPWBAB-FQEVSTJZSA-N 344.503 2.363 0 1 EEAF COc1cccc2c1C=C([N+](=O)[O-])[C@H]1C2=C2OCOC2=C[C@H]1C(=O)O 28115037 XFZJGZRXKHUYSB-YGRLFVJLSA-N 343.291 2.256 0 1 EEAF c1cncc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)c1 33362341 HYGHWJDOWZXABZ-UHFFFAOYSA-N 335.411 2.436 0 1 EEAF CC(C)CN1CC(=O)N2CCc3c([nH]c4ccc(F)cc34)[C@]2(C)C1=O 2108772 KMUBJTBYHZBJBA-LJQANCHMSA-N 343.402 2.405 0 1 EEAF biogenic Cc1cccc(-n2c(O)cc(=O)nc2SCC(=O)NC(C)(C)C)c1 136735401 NZXZDJNSFCZDPL-UHFFFAOYSA-N 347.440 2.253 0 1 EEAF NCCCNCCCCN1C(=O)c2cccc3cccc(c23)C1=O 40913789 REHOLDNJGQRFKC-UHFFFAOYSA-N 325.412 2.154 0 1 EEAF COc1ccc(C2=NNC(=O)C2(C)C)c2cc(C(F)(F)F)nn12 84671871 DFVJWLRSIVTIHA-UHFFFAOYSA-N 326.278 2.222 0 1 EEAF O[C@@H]1C[n+]2cc3c4c(ccc3cc2-c2cc3c(cc21)OCO3)OCO4 238777057 WOKPSUCZPCENQR-OAHLLOKOSA-N 336.323 2.299 0 1 EEAF CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)c1cccc(Cl)c1 141914321 CLRNTUYCMVCXBM-BHTHQVBYSA-N 344.798 2.458 0 1 EEAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 587131051 WASOWWAZISGKHG-UHFFFAOYSA-N 339.323 2.479 0 1 EEAF O=C(O)CCc1cc2c(O)nc(O)nc2nc1-c1ccc(F)cc1 587368656 UNGUZCDYRSQDTK-UHFFFAOYSA-N 329.287 2.259 0 1 EEAF Cc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Cl 586921844 NZWUTBHAZMDEAA-UHFFFAOYSA-N 338.820 2.373 0 1 EEAF CCCCCCCCCCNC(P(=O)(O)O)P(=O)(O)O 142688330 UQZJJBYYCNPQNR-UHFFFAOYSA-N 331.286 2.356 0 1 EEAF COC(=O)c1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cn1 587566601 VJTJQWDMKGGLAB-UHFFFAOYSA-N 325.324 2.179 0 1 EEAF CN[C@H](c1cccnc1)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587225816 YDISINYJGWGRKZ-OAHLLOKOSA-N 326.356 2.062 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CS(=O)(=O)c3ccccc31)O2 587411746 VGRNZGGRHLFIJL-QGZVFWFLSA-N 329.377 2.225 0 1 EEAF CC[C@]1(c2ccc(C)[n+]([O-])c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962892692 GSBLHXATJKUGMY-MAUKXSAKSA-N 330.359 2.020 0 1 EEAF COc1cc(Cl)ncc1[C@@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963493115 VRQHGABDUMNZLP-ZBEGNZNMSA-N 348.786 2.446 0 1 EEAF CC(C)=C1C[C@](CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O 1772630777 RRGGCASWPGLJTK-IBGZPJMESA-N 343.379 2.350 0 1 EEAF Cc1nc2c(N3CCNCC3)ccnc2n1Cc1ccc(F)cc1 1857645457 VYZAJBMQMQQCQN-UHFFFAOYSA-N 325.391 2.337 0 1 EEAF Cc1c(N2CCCN2C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520766 JKUQJDOBPDLXLC-UHFFFAOYSA-N 345.374 2.380 0 1 EEAF Ic1ncc2ncn(Cc3ccccc3)c2n1 6581058 NNFRBJUNMWKJLY-UHFFFAOYSA-N 336.136 2.479 0 1 EEAF CCN(CC)CCN1C(=O)C(c2ccco2)=C(c2cccn2C)C1=O 29124540 JSBIQOJUYNSXSN-UHFFFAOYSA-N 341.411 2.240 0 1 EEAF CCC(=O)[C@H](Cc1ccc(O)c(Cl)c1)NC(=O)[C@H](O)[C@@H](C)CC 2356390917 GQUNWFSEBZMTLB-YNZJMPHRSA-N 341.835 2.459 0 1 EEAF Cc1c(O)c(=O)c2c(O)oc(O)c3c(=O)c4c(c1c23)O[C@@H](C)C4(C)C 2356822431 FVNRUHBMBARGAO-LURJTMIESA-N 344.319 2.228 0 1 EEAF C[C@@H](NC(=O)c1cccnc1)[C@@H](c1ccccc1)N1CCN(C)CC1 22036692 GGYDJTNPUODFMX-APWZRJJASA-N 338.455 2.189 0 3 EEAF CC(C)Cn1cnc2ccc3nc(C4=NCCN4)sc3c2c1=O 38143442 BCPZRAHPMJLZGY-UHFFFAOYSA-N 327.413 2.012 0 1 EEAF O=C1CSC(=O)N1CCCCNC[C@@H]1CCc2ccccc2O1 73258851 FOBFCDNPKDAAQV-AWEZNQCLSA-N 334.441 2.445 0 1 EEAF NC(=O)c1cccc2cn(-c3ccc(CNCC(F)F)cc3)nc12 49069426 ZJQXJILIJAEYNO-UHFFFAOYSA-N 330.338 2.479 0 1 EEAF C[C@]1([C@H](O)CO)CC[C@@H]2C(=CC[C@@H]3[C@@](C)(CO)C(=O)CC[C@@]23C)C1 238763379 QZHNIQKYPOURAF-QBUATURESA-N 336.472 2.460 0 1 EEAF CCCc1c(O)ccc2c1O[C@@](C)(CN1C(=O)CCC1=O)CC2=O 587475410 LOUZPSXVFKHDEX-GOSISDBHSA-N 331.368 2.218 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-n3cnnn3)c1)O2 587389954 DWFQXXYQLAIMJA-GOSISDBHSA-N 335.367 2.434 0 1 EEAF C[C@@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c([S@](N)=O)c1 4245641 JHYJDHIDSGQJJZ-WYVULQQZSA-N 349.843 2.417 0 1 EEAF CCCCC[C@H]1CCCCC[C@H](O)C[C@H](O)[C@@H](O)C=CC(=O)O1 1857742209 LEEBEEPDVOWSDN-QAETUUGQSA-N 328.449 2.472 0 1 EEAF C[C@]1(O)CC[C@@]23C[C@H]1[C@H](O)C2=CC[C@H]1[C@]3(C)CC[C@H](O)[C@@]1(C)CO 2356428298 GHVFAOYRFNOZIJ-NHQGGFKJSA-N 336.472 2.004 0 1 EEAF CCOC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3C)CC1=O 101384121 XUOQREZRAUHJRW-DFYYWFRZSA-N 343.423 2.049 0 1 EEAF Cc1cn(C/C=C/CN2C(=O)c3cccc4cccc2c34)c(=O)[nH]c1=O 66259078 QZCGIHOVXKABID-NSCUHMNNSA-N 347.374 2.215 0 1 EEAF COc1cc2c(cc1O)[C@H]1Cc3ccc4c(c3C[C@@H]1NC2)OCO4 2356489701 GXFZPZAWQYQWSW-CABCVRRESA-N 325.364 2.484 0 1 EEAF CCC(CC)Cc1cc(C(=O)O)ccc1N1C(=O)CCC1(CO)CO 84671340 MUURHYZBGHJZCY-UHFFFAOYSA-N 349.427 2.214 0 1 EEAF CN1CCC[C@H]1COC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82086384 PUPJUDSTASAJON-LBPRGKRZSA-N 330.340 2.321 0 1 EEAF O=C(O)c1ccc2c(c1)nc(N[C@H]1CC[C@H](O)CC1)c1nccn12 299845259 WFGPBNFFYVTNIS-HAQNSBGRSA-N 326.356 2.296 0 1 EEAF O=C(Cc1cccs1)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1 299842695 IVXYFJOQEIKNBL-HOTGVXAUSA-N 341.436 2.088 0 1 EEAF CC1=N[C@H](CC(C)C)C(=O)N(CC(=O)O)c2cc(C(=O)O)ccc21 473149169 IKWXMSBSDNXTSQ-CYBMUJFWSA-N 332.356 2.040 0 1 EEAF N=c1[nH]cc2nc(CCNc3ccc(Br)cc3)nc-2[nH]1 586996794 ZEOZGSARJBLMQG-UHFFFAOYSA-N 333.193 2.134 0 1 EEAF Nc1cc(Br)cc(-c2ccc3c(O)nc(O)nc3n2)c1O 587367546 YGOAXKNVVRJWML-UHFFFAOYSA-N 349.144 2.153 0 1 EEAF Cc1ncc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cn1 962969308 QDUUBTJGOIGROI-BXUZGUMPSA-N 339.729 2.405 0 1 EEAF Cc1ccccc1OC[C@H](O)CNCC[S@](=O)c1ccccc1 169332225 TULFHTJOLUPJCH-MWTRTKDXSA-N 333.453 2.132 0 1 EEAF COC(=O)C(C(=O)OC)[C@H]1O[C@]23COC=C[C@@]2(C)[C@@H]3c2ccccc21 169356234 PMTNJZPBVCGODU-LNMJFAINSA-N 344.363 2.106 0 1 EEAF COCCOC(=O)[C@H]1C(C)=Nc2nc(C)nn2[C@H]1c1ccc(F)cc1 169686642 KWIXIUXLARHTGY-GJZGRUSLSA-N 346.362 2.227 0 1 EEAF C[C@H](CCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O 2356345239 NEVPBIQTDNVVMK-OWVAZHOYSA-N 330.421 2.230 0 1 EEAF O=C(NCc1ccc(F)c(F)c1)c1cc2cccc(O)c2n(O)c1=O 103253112 RTZZCXRVKNMTNQ-UHFFFAOYSA-N 346.289 2.153 0 1 EEAF CCCC[C@@H](O)[C@H](C)Nc1cc(NC(=O)OCC)nc(N)c1N 27196335 ZCFLBEDPPVQBNA-GXSJLCMTSA-N 325.413 2.166 0 1 EEAF NC(=O)c1ccc2[nH]c(-c3ccc(OC4CCNCC4)cc3)nc2c1 28959986 WXZRMYZBRMGJSI-UHFFFAOYSA-N 336.395 2.460 0 1 EEAF O[C@H]1C[C@@H]2O[C@H]3C=C[C@@H](O)[C@H]1[C@H]3C21Oc2cccc3cccc(c23)O1 2356541998 JZDCBWJRBIWSGA-NSHRCMIGSA-N 338.359 2.002 0 1 EEAF COc1ccc(CC(=O)[C@H](C)C(=O)N2C(=O)OC[C@H]2C(C)C)cc1 2356703359 YQWCOMZJJAFFNM-WFASDCNBSA-N 333.384 2.446 0 1 EEAF O=C(Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2)C1CC1 38266840 XUYWOWROBBRKEO-UHFFFAOYSA-N 340.774 2.494 0 1 EEAF COc1c(O)c2c3c(c1OC)CCN=C3[C@](C)(O)c1cc(O)ccc1-2 15265673 ZPJUVCHBOXPZSP-LJQANCHMSA-N 341.363 2.348 0 1 EEAF biogenic O=c1[nH]c2nonc2nc1Nc1ccc(OCC(F)(F)F)c(F)c1 1911570958 ZLHSIJGJDFYQKJ-UHFFFAOYSA-N 345.212 2.130 0 1 EEAF CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCc3ccccc3F)n2)C1 82203508 XFCJPKRHTJCVDJ-OAHLLOKOSA-N 343.406 2.251 0 1 EEAF CC1(C)CC(=O)N(CN2CCN(c3ccc(Cl)cc3)CC2)C1=O 96921978 PCXAUGIPMJJICY-UHFFFAOYSA-N 335.835 2.205 0 1 EEAF Cc1ncccc1O[C@H]1CCN(C(=O)c2cccs2)CC[C@@H]1O 299850837 UVQXNEMGWXSLOH-ZFWWWQNUSA-N 332.425 2.496 0 1 EEAF Cc1ccc(O[C@H]2C[C@H]3CN(C(=O)c4cccnc4)CCN3C2)cc1 299842654 IFRGTYZTKJKKSQ-HKUYNNGSSA-N 337.423 2.368 0 1 EEAF Nc1ccc2c(c1Br)-c1nc3nc(O)nc(O)c3cc1C2 587365059 AHWCAFBNQVACBG-UHFFFAOYSA-N 345.156 2.352 0 1 EEAF COc1ccc(C[C@@H]2CN(C(=O)CCc3cccnc3)CCO2)cc1 11936821 ANOOWMZVJHWLIZ-LJQANCHMSA-N 340.423 2.493 0 1 EEAF CC[C@@H](C)NC1=NS(=O)(=O)c2cc(Br)ccc2N1 13524714 FMMDYVAEIOJPRK-SSDOTTSWSA-N 332.223 2.307 0 1 EEAF COc1ccc(-c2nnc3n(C)c4ccccc4n3c2=O)cc1OC 13861558 RDHMAUFMGHQLHG-UHFFFAOYSA-N 336.351 2.265 0 1 EEAF CCCCNC(=O)Nc1ncnc2c1ncn2C(=O)NCCCC 169317184 YJNNONOUUOWZEY-UHFFFAOYSA-N 333.396 2.106 0 1 EEAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1OCCO 2006854 DJELTHIJGDTVJH-QGZVFWFLSA-N 330.771 2.465 0 1 EEAF C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CCC(=O)N2C2CCCC2)C1 2964887 ODBQOHMVJQEFQL-JZXOWHBKSA-N 349.519 2.404 0 3 EEAF NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)c(F)c2)cc1 492829042 MXTFYLVHJCXLKY-KRXBUXKQSA-N 338.335 2.264 0 1 EEAF COc1ccc2c3c1O[C@@H]1C(OC)(OC)C[C@@]4(C=C2)CN(C)CC[C@@]314 1636356 FRGLCSZKHVYAEC-GBESFXJTSA-N 343.423 2.436 0 1 EEAF CN1CCN(C2=Nc3cccc(Cl)c3Nc3nn(C)cc32)CC1 26576340 KCRJVEPVZNGUGC-UHFFFAOYSA-N 330.823 2.456 0 1 EEAF CN1CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)OCC1=O 27995777 XGHZCTZFXCZZSO-UHFFFAOYSA-N 348.418 2.112 0 1 EEAF O[C@H](CCN1CCN(c2ccccn2)CC1)COc1ccc(F)cc1 29479959 YYJPRPPXJDRVDG-QGZVFWFLSA-N 345.418 2.173 0 1 EEAF CC[C@@H]1C(=O)N2C=CS[C@@H]2N(Cc2cc(OC)cc(OC)c2)C1=O 28769677 KVWSCUSPDXHTIC-PBHICJAKSA-N 348.424 2.402 0 1 EEAF CCN1CCN(CCCNC(=O)c2cc3sccc3n2CC)CC1 20355640 ZBFGFGATRRVIOV-UHFFFAOYSA-N 348.516 2.480 0 3 EEAF CCn1c(-c2nonc2N)nc2cncc(CN3CCCCC3)c21 28461239 BSEFFPZSDNLNBE-UHFFFAOYSA-N 327.392 2.069 0 1 EEAF CC[C@]12CCCN3C(=O)C[C@]4(O)c5ccccc5N(C(=O)CC1)[C@@]324 2356475678 LZUIMMLDZPLMRH-FHWLQOOXSA-N 326.396 2.133 0 1 EEAF C[C@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1 72126103 GYHSDCAQMDKVKI-SFHVURJKSA-N 347.436 2.453 0 1 EEAF in-vitro COc1cc([C@@H]2Oc3c(OC)cc(C=O)cc3[C@H]2CO)ccc1O 15215996 FHRVWMUANLCTEE-DYVFJYSZSA-N 330.336 2.432 0 1 EEAF biogenic Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NC[C@@H]1CCCO1 82212875 HTOJSXBUAUQOOP-KRWDZBQOSA-N 345.491 2.441 0 1 EEAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)N2CCOCC2)N3C)cc1 194852457 SAGKYUWOOFCCBT-MKXGPGLRSA-N 328.456 2.420 0 1 EEAF Cc1noc(-c2ccc(N3C[C@@H](Cn4ccnc4)OC3=O)cc2F)n1 96928836 RNIVVIRHMUXWBG-GFCCVEGCSA-N 343.318 2.406 0 1 EEAF COc1ccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1 473091501 ZAXUHQXHPHSFAZ-UHFFFAOYSA-N 349.314 2.315 0 1 EEAF c1cncc(CN2CCO[C@@H]3CN(Cc4ccoc4)CC[C@H]3C2)c1 299841685 BKVRCSYEJCNBNH-RBUKOAKNSA-N 327.428 2.398 0 1 EEAF CS(=O)(=O)c1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2c1 587782217 JBHPNBZMQGNZJU-UHFFFAOYSA-N 344.392 2.252 0 1 EEAF Cc1cc(=O)n2nc(N[C@H](CC(=O)O)c3cccc(Cl)c3)[nH]c2n1 1772657337 KHVFKVSDSRUZIS-LLVKDONJSA-N 347.762 2.007 0 1 EEAF N[C@H]1CCCC[C@@H]1NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 13833804 JNPLFADFIGKWML-SOUVJXGZSA-N 329.469 2.302 0 1 EEAF Cc1cccc2[nH]c(CN(C)C(=O)[C@H]3CCC(=O)N(C4CC4)C3)nc12 15936607 FUBHBHPARBGOST-ZDUSSCGKSA-N 340.427 2.231 0 3 EEAF Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1 116780520 KJOJLXQBZIJMLX-UHFFFAOYSA-N 342.380 2.076 0 1 EEAF CCNC(=N)NCCC[C@H](N)C(=O)Nc1cccc2ccccc12 103239276 LVVMJONZXBSLJZ-HNNXBMFYSA-N 327.432 2.020 0 1 EEAF COc1cc(C(=O)O[C@@H]2CC[C@@H]3CC[C@@H]2N3C)cc(OC)c1OC 101494321 RCYQXSCEIUPTHM-MELADBBJSA-N 335.400 2.494 0 1 EEAF N[C@H](C(=O)N1Cc2ccccc2C1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 101154617 GEMKNHBZBCPKAL-WGHTVKHISA-N 326.440 2.187 0 1 EEAF COc1cc2nc([S@](=O)Cc3ccccc3N)[nH]c2cc1OC 28229846 CUKRMXRKRYEOFY-QHCPKHFHSA-N 331.397 2.470 0 1 EEAF Nc1nc(C[C@H](O)c2ccc(Cl)cc2)c(Br)c(=O)[nH]1 96914684 OHERLKWBOVKZCV-VIFPVBQESA-N 344.596 2.044 0 1 EEAF Cc1ccc(N2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@H]32)cc1 299842016 ILKSRDHTVIONSC-QWFCFKBJSA-N 344.455 2.370 0 1 EEAF NS(=O)(=O)c1ccc(C(=O)Cn2cnc3ccccc32)cc1Cl 653854573 SWJLGRBJIPSPCI-UHFFFAOYSA-N 349.799 2.220 0 1 EEAF N[C@@H](CP(=O)(O)O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586922090 JGHGNCHTCXDVCA-LURJTMIESA-N 343.629 2.413 0 1 EEAF COC(=O)c1cccc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc12 586950729 KRYFUSYZMZWFMV-UHFFFAOYSA-N 345.380 2.388 0 1 EEAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1CNC(=O)C3 169711843 PKOSRNQVFKSRAL-NLWGTHIKSA-N 326.440 2.110 0 1 EEAF CN(C)S(=O)(=O)c1cccc(-c2ccn(C/C(F)=C/CN)c2)c1 1857562964 NVIWZHFDYVRBKI-UUASQNMZSA-N 337.420 2.218 0 1 EEAF N#CN1CCO[C@@H](C(=O)Nc2ncc(-c3ccc(F)cc3)s2)C1 1857584316 RBEAVWVZUZTEQR-GFCCVEGCSA-N 332.360 2.070 0 1 EEAF Cc1cccc(SC[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)c1 1857645892 VVWRAYHFOYYTOQ-WCQYABFASA-N 329.429 2.431 0 1 EEAF O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 64512445 HPAKCEYAQQECIE-XQHKEYJVSA-N 343.301 2.200 0 1 EEAF O=C1C[C@@H]2[C@H]3C(=O)c4c(O)cccc4[C@@H]([C@@H]3O)[C@@H]2c2cccc(O)c21 2356493068 JGTRUZSFUZQJBG-OZOHKYCRSA-N 336.343 2.355 0 1 EEAF COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2C(=O)CC2CC2)c1 61906586 GHFZFGQQDIADOV-GOSISDBHSA-N 332.400 2.433 0 3 EEAF C[C@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1 68248155 AYHCJXIBRDMYBV-KRWDZBQOSA-N 346.471 2.455 0 1 EEAF COc1ccc(-n2cc(-c3ccc4c(c3)C(=O)NCC4)c(N)n2)cc1 45393488 ZBIFKWQZJMJWRU-UHFFFAOYSA-N 334.379 2.416 0 1 EEAF C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O 238745579 WSRQDGKCDIHPPB-SOBSHWPOSA-N 348.439 2.305 0 1 EEAF O=C(c1cnn[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662170 WDQMTLITMHRQGB-UHFFFAOYSA-N 335.298 2.009 0 1 EEAF O=Cc1ccc(OCCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587566776 YJRGBVWDTTXUIJ-UHFFFAOYSA-N 346.364 2.244 0 1 EEAF COc1ccccc1-c1c[nH]ccc1=NS(=O)(=O)C(F)(F)F 1772610349 GNKNIWWSXMYIAK-UHFFFAOYSA-N 332.303 2.441 0 1 EEAF O=c1onc2n1-c1ccc(Cl)cc1C(=S)N1CSC[C@H]21 5822919 ZOGUITUFUCGBOY-SECBINFHSA-N 325.802 2.215 0 1 EEAF O=C1CCC2(Oc3cccc4cccc(c34)O2)[C@H]2[C@H]1[C@@H](O)CC[C@H]2O 2356423845 LYHLLBJEQIPGLK-JUUKFZBDSA-N 340.375 2.418 0 1 EEAF O=c1[nH][nH]c2nc(CN3CCc4ccccc4C3)nc3cccc1c32 59277935 NRBYISKXRADZBO-UHFFFAOYSA-N 331.379 2.358 0 1 EEAF CC[C@@H]1NC(=O)OC12CCN(C[C@@H]1COc3ccccc3O1)CC2 28761393 VVMCXYYGSYAMPN-CJNGLKHVSA-N 332.400 2.179 0 1 EEAF Oc1ccc(CC[C@@H]2CC[C@H](O)[C@](O)(c3ccc(O)cc3)O2)cc1 2356428463 MJXQJVSQSNSYPR-QYZOEREBSA-N 330.380 2.416 0 1 EEAF COCc1cc(C[C@@H]2CC[C@@H](O)[C@@H](CNC3CCCCC3)O2)no1 2356509933 HLWZPTFDGGLTTF-CGTJXYLNSA-N 338.448 2.194 0 1 EEAF COc1ccc(-n2nc3c(NC(C)=O)nc4ccccc4n3c2=O)cc1 34800818 DHZCLDQSLBMBBL-UHFFFAOYSA-N 349.350 2.000 0 1 EEAF COC(=O)C1=C(N2CC=CC2)[C@H]2c3ccccc3S[C@]12C(=O)OC 36152479 JOOFCOJJOMBCNM-ACJLOTCBSA-N 343.404 2.100 0 1 EEAF COc1c(O)cc2c(c1O)C(=O)[C@H](OC)[C@@H](c1ccc(O)cc1)O2 14643874 JLVQQMHPARILRE-WBVHZDCISA-N 332.308 2.143 0 1 EEAF biogenic O=C1CCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 139738779 VNVAMXXJQPLBFP-UHFFFAOYSA-N 327.359 2.115 0 1 EEAF C[C@@H](C(=O)NCc1ccccc1)C(=O)Oc1cccc(C(=O)O)c1 45336924 DFHBICFMNODIAH-LBPRGKRZSA-N 327.336 2.243 0 1 EEAF CO[C@@]12CCC(=O)[C@@H]3Oc4cccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5 40632121 NIFYTFYAAJWEAC-BVOGOJNSSA-N 339.435 2.474 0 1 EEAF O=C1COc2ccccc2N1CCCn1cc(-c2cccnc2)nn1 299830100 WHDVLPKZCNCLOF-UHFFFAOYSA-N 335.367 2.156 0 1 EEAF CCOC(=O)Cc1cc(F)c(OCC(=O)N(CC)CC)c(OC)c1 299839589 SPHDUGPZADRENY-UHFFFAOYSA-N 341.379 2.187 0 1 EEAF Cc1cc(Br)c2[nH]c(CCOCCOCCN)nc2c1 587245891 GJCWUTQWGSAGEG-UHFFFAOYSA-N 342.237 2.168 0 1 EEAF Nc1nc(O)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2n1 587068189 KVSLTKFJAZJOFZ-UHFFFAOYSA-N 327.735 2.351 0 1 EEAF O=C(O)c1ccnc(-c2cn(CCNCC3CC(F)(F)C3)cn2)c1 225939048 QVDRDNVABMUEIS-UHFFFAOYSA-N 336.342 2.278 0 1 EEAF CCCCNC(=O)[C@@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 13447191 PUSOJHCLXKMHFR-CYBMUJFWSA-N 340.807 2.220 0 1 EEAF COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)csc21 1857583967 UJEDTRBTHRMWMQ-UHFFFAOYSA-N 344.436 2.422 0 1 EEAF CC(=O)Nc1cccc2c1[C@H]1c3ccccc3[C@H]2[C@@H]2C(=O)NC(=O)[C@@H]21 1857603466 OZQOTOAAFVHBSB-NRSFXHEJSA-N 332.359 2.125 0 1 EEAF CC[C@@H]1N[C@H]2C[C@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 104205649 LDBVYQSHIPCQPT-GQXDNMKNSA-N 328.412 2.008 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@H](CCO)C[C@H](C1)[C@H]23 2356786936 TVBMHUVFQRBOBY-NCNVYOFCSA-N 340.423 2.026 0 1 EEAF CN1CCC(OC(=O)[C@@H](CO)c2cccc(C(F)(F)F)c2)CC1 96908938 WUBQAMJWWIKNOF-AWEZNQCLSA-N 331.334 2.419 0 1 EEAF CNC(=O)[C@H](c1ccccc1F)N1CCC[C@@H]1C(=O)NC1CCCC1 299841875 AQMOLXMPMDJZHK-SJORKVTESA-N 347.434 2.136 0 1 EEAF CC(=N)NCc1cccc(CNC(=O)c2ccc(C(=O)O)cc2)c1 474609844 WCKTYCLDQCBZJZ-UHFFFAOYSA-N 325.368 2.402 0 1 EEAF CNc1cc(=Nc2cccc(C(C)(C)C)c2)[nH]n2c(C(N)=O)cnc12 1857766142 YJMOFZPIQSJYFY-UHFFFAOYSA-N 338.415 2.333 0 1 EEAF CCOC(=O)[C@@H]1C(=O)[C@H](C(C)=O)C(=O)C[C@@H]1C[C@H](C)SCC 294543 RTYSMJMWAJSKON-VMXABPDPSA-N 328.430 2.061 0 3 EEAF CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[C@@H](O)CN1CCCCCC1)C2=O 2337138 HVUSCPODFBEQJZ-KHYOSLBOSA-N 336.476 2.035 0 1 EEAF COC(=O)[C@H]1C[C@@H]1[C@H](NC(=O)c1cc(C)nn1C)c1ccccc1 6233278 KPHPJALIQGOQTH-OFQRWUPVSA-N 327.384 2.009 0 1 EEAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NC2CCCCC2)n1 2356321253 AVQKAVDJHZVBMN-MANSERQUSA-N 347.503 2.423 0 1 EEAF C[C@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)NCc1ccccc1)C(=O)N2 7999202 BJEIAJDDINZWTF-OXFYSEKESA-N 336.391 2.331 0 1 EEAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)N2CCOCC2)N3C)cc1 58501966 SAGKYUWOOFCCBT-YRXWBPOGSA-N 328.456 2.420 0 1 EEAF O=C(CC(=O)C(=O)O)CC(=O)c1ccccc1OCc1ccccc1 101083567 SSENDTHCUOSNHU-UHFFFAOYSA-N 340.331 2.451 0 1 EEAF CCN(CC)[C@H](C)CN1C(=O)C[C@@]2(CCCc3ccc(O)cc32)C1=O 27563962 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FGMRPEYTSBXJGP-UHFFFAOYSA-N 328.339 2.208 0 1 EEAF CC(C)n1cnc2c(NCc3cccnc3)nc(NC[C@@H](C)O)nc21 96177801 JXKQPAFSJBFUHW-GFCCVEGCSA-N 341.419 2.207 0 1 EEAF O=C(CC1CCCC1)N1CCN2C[C@@H](CO)[C@H](c3ccccc3)[C@H]2C1 299852281 PTFBKOBDSOVWRQ-ZVDOUQERSA-N 342.483 2.485 0 1 EEAF CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@@H](CO)C(C)C)cc1 474608463 MDBHVKTYIGBDLO-SFHVURJKSA-N 346.475 2.124 0 1 EEAF CCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2ccc(F)c(Cl)c12 587631634 RJLFIBGBJSNHBO-NSHDSACASA-N 338.766 2.497 0 1 EEAF CC(C)(C)OC(=O)N(Cc1nc2cnncc2[nH]1)C[C@@H]1CCCO1 587197432 OSYZNRNCNLPPPI-NSHDSACASA-N 333.392 2.269 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(c1nc(Cl)cnc1N)[C@@H](C2)C3=O 587419262 DLBXDGMNVYWOPN-FVMDXXJSSA-N 331.759 2.384 0 1 EEAF Cn1cnc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962982224 WRZNCFSRTXBFBL-NOZJJQNGSA-N 327.718 2.040 0 1 EEAF Cc1noc2ncnc(N3CCC[C@H](C(=O)Nc4cccnc4)C3)c12 15728883 XYOXJHFAWOHTRY-LBPRGKRZSA-N 338.371 2.176 0 1 EEAF CCCCNC(=O)c1cccc(N2CCc3nc(N)ncc3C2)c1 169710054 NMUCYKVWJBOCJI-UHFFFAOYSA-N 325.416 2.151 0 1 EEAF CC1=CN2C(=NC(=O)C[C@]2(C)C(=O)NCc2ccc(F)cc2)C=C1 220728 GEIJNPUNUNBAPI-GOSISDBHSA-N 327.359 2.305 0 1 EEAF NC(=O)C1CCN(c2ncc(-c3ccc4c(c3)OCO4)s2)CC1 66148976 VTCJZEIDWGDZPP-UHFFFAOYSA-N 331.397 2.241 0 1 EEAF Cc1ccc(S(=O)(=O)c2c(O)c3ccccc3n(C)c2=O)cc1 102981290 VVCWJCSCUGDPJB-UHFFFAOYSA-N 329.377 2.385 0 1 EEAF COc1ccccc1-n1ncc2c3c(c4cccn4c21)C(=O)NC3=O 103254128 SUJBPFQBLXLFIJ-UHFFFAOYSA-N 332.319 2.170 0 1 EEAF CC[C@H](Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1)C(=O)OC 104187520 OIBJALMHIDYCSU-LBPRGKRZSA-N 344.396 2.104 0 3 EEAF COc1ccc(CCNC(=O)OCc2oc(=O)oc2C)cc1OC 27552338 CLXVFIHXHQMVRA-UHFFFAOYSA-N 337.328 2.027 0 1 EEAF Cc1nc(C(=O)N2CCOCC2)cc(-c2ccc(F)cc2)c1CN 66103629 MJWYTEITVFTIRJ-UHFFFAOYSA-N 329.375 2.127 0 1 EEAF O=C(Nc1ccc([C@@H](O)CO)cn1)c1cc2cc(Cl)ccc2[nH]1 38783558 BTLBOZYNWCWYHS-AWEZNQCLSA-N 331.759 2.494 0 1 EEAF CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1NCc1ccccc1 72110828 FBHZWMCHPUGZRM-DHDCSXOGSA-N 335.363 2.374 0 1 EEAF O=c1ccc2c([C@@H](O)CNC3Cc4ccccc4C3)ccc(O)c2[nH]1 49069024 HHEMVSCLLFFBQM-SFHVURJKSA-N 336.391 2.024 0 1 EEAF in-vitro CC(C)=CCC/C(C)=C/C(=O)NCCCN(CCCN)CCCN 95584630 GISJNSCHGNXSJF-FBMGVBCBSA-N 338.540 2.185 0 1 EEAF O=c1ccc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)n[nH]1 144596381 GKMFJHZYTHTXFE-UHFFFAOYSA-N 325.290 2.292 0 1 EEAF CCCCC[C@H](C)NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C 618015121 UALDQNFMFJBSGL-XSWJXKHESA-N 346.475 2.279 0 1 EEAF O=C1CC[C@@](C(=O)O)([C@H](CCCCCCCCCCO)C(=O)O)O1 35456676 XQAKPODTTGUXLR-DYVFJYSZSA-N 344.404 2.351 0 1 EEAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(C(=O)O)ccc21 587402320 XHUUHIRYIJRDKS-GOSISDBHSA-N 338.319 2.088 0 1 EEAF CNS(=O)(=O)c1cc(-c2nc3cc(Cl)c(C)cc3[nH]2)n(C)c1 586947638 XFZRNLKBYUMWJG-UHFFFAOYSA-N 338.820 2.438 0 1 EEAF CC(C)C(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)OCc1ccccc1 13471491 ZPUFWANFYLMZTO-CWRNSKLLSA-N 344.411 2.427 0 1 EEAF CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc(Cl)c1 990432 CLRNTUYCMVCXBM-CRJCFHLZSA-N 344.798 2.458 0 1 EEAF CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)CN(Cc1ccccc1)C3=O 104305191 FEVIKHXUNPKMJB-UHFFFAOYSA-N 336.395 2.476 0 3 EEAF Cc1nnc(SCC(=O)N2CCc3[nH]nc(C4CCC4)c3C2)o1 23192376 QTCJNOMQAZOAMJ-UHFFFAOYSA-N 333.417 2.046 0 1 EEAF COc1ccc2c(c1)[C@H](N1CCN(C)CC1)c1cccnc1CO2 22441281 XJMABPLMLZHDIW-LJQANCHMSA-N 325.412 2.319 0 1 EEAF C[C@]1(CO)[C@H](O)CC[C@]2(C)[C@H]1CC=C1C[C@H]3C[C@@]12CC[C@]3(O)CO 2356597971 AOVRTCZFFWQNCK-UQEPQNNOSA-N 336.472 2.006 0 1 EEAF CO[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@]2(O)[C@@H](CC2(C)C)[C@H](CO)C1 2356668869 FBYOODMLZCFCSM-ULQWZQFMSA-N 326.433 2.059 0 1 EEAF CC(C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(N)scc12 84706210 IIABVIUHNKXAMD-UHFFFAOYSA-N 346.387 2.307 0 1 EEAF Nc1ccc2c(c1)[nH]c1[n+]2CCN(C[C@@H]2CCCN3CCCC[C@H]23)C1 199099819 WETNHZVOLPIATI-MAUKXSAKSA-O 340.495 2.118 0 1 EEAF CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)Nc1ncccc1C)CS2 85473884 SLRYZDOHJGMJAZ-GFCCVEGCSA-N 344.440 2.178 0 1 EEAF CCOC(=O)Cc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587560007 STZUDCPACDBQGL-UHFFFAOYSA-N 325.324 2.209 0 1 EEAF NC(=O)c1cccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963227077 MFIGZBRCPMCVAR-QZTJIDSGSA-N 347.374 2.022 0 1 EEAF Cc1nn(C)cc1-c1ccc2cc(C(=O)N[C@@H]3CCN(C#N)C3)[nH]c2c1 1857560559 NHQQURFFEHYXEG-OAHLLOKOSA-N 348.410 2.162 0 1 EEAF COc1cccc(NC(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)c1 3392040 IUFAFEMLVYPEQT-GOSISDBHSA-N 347.415 2.380 0 3 EEAF C[C@@H]1CCc2nn(CC(=O)N3CCN(c4ccccc4)CC3)cc2C1 6803038 YBUFXGQHUSOEGB-MRXNPFEDSA-N 338.455 2.357 0 1 EEAF O=CN1CCN(C2=Nc3ccccc3N(C=O)c3cscc32)CC1 28000122 IOGLKFOTWOQFAM-UHFFFAOYSA-N 340.408 2.208 0 1 EEAF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H]2CCC[C@@H]1O2 103203416 XFRZOMVOLXEWIA-WCQYABFASA-N 336.779 2.207 0 1 EEAF CCOCn1c(C(=O)c2cccc3ccccc23)c(C)c(=O)[nH]c1=O 28652474 SDFIOEJMXALCDG-UHFFFAOYSA-N 338.363 2.223 0 1 EEAF O=C(c1ccno1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356431602 WVQYZAULPXNOPI-GFCCVEGCSA-N 331.303 2.185 0 1 EEAF O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 64512449 HPAKCEYAQQECIE-YVECIDJPSA-N 343.301 2.200 0 1 EEAF Cc1cccc(Oc2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)c1 40828987 JZBKUKPJKVOVGL-INIZCTEOSA-N 327.384 2.319 0 1 EEAF in-vivo COc1cc(O)c2c(c1)C=CCC[C@H](O)[C@H](O)C=CC[C@H](C)OC2=O 299815817 HZGOYSKUPKXELQ-VBNZEHGJSA-N 348.395 2.421 0 1 EEAF Cc1ccc(O[C@H]2C[C@H]3CN(c4ncc(F)cn4)CCN3C2)cc1 299842541 RNOLNGDAISOHKH-RDJZCZTQSA-N 328.391 2.266 0 1 EEAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(S(=O)(=O)O)cc3[nH]1)C2 586884436 IDKDGQBFSIRYBB-DCAQKATOSA-N 332.381 2.448 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(COCCC1(OC)OC)CC2=O 587484771 IBOJWIZOXYSVCP-QGZVFWFLSA-N 336.384 2.458 0 1 EEAF CCOC(=O)CNc1ccc(-c2nc3cc(N)c(N)cc3[nH]2)cc1 587224810 KHBXMMJSCSJHHW-UHFFFAOYSA-N 325.372 2.369 0 1 EEAF CCOC(=O)c1nn(C)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430429 FKBFIXZQQBEMQQ-DIFFPNOSSA-N 342.351 2.094 0 1 EEAF O=C(O)CC1=C(c2cccs2)Cc2cc3c(O)nc(O)nc3nc21 587563967 MIXJFOAQCZIWDD-UHFFFAOYSA-N 341.348 2.439 0 1 EEAF COC(=O)c1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cn1 586907100 KGKPOXMCVYXAPZ-VIFPVBQESA-N 325.324 2.325 0 1 EEAF COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc1 587435712 IOFSJUITEHDCCX-PXAZEXFGSA-N 325.320 2.366 0 1 EEAF Cc1cc(=O)[nH]c(-n2ncc(C(=O)NC3CCCC3)c2C(C)C)n1 106911065 INJUATZBIMTKKQ-UHFFFAOYSA-N 329.404 2.060 0 1 EEAF NS(=O)(=O)c1cc(C(=O)Cn2cnc3ccccc32)ccc1Cl 64526986 XXDZSNJTAQNIAQ-UHFFFAOYSA-N 349.799 2.220 0 1 EEAF in-vitro Cn1cc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cn1 2356428536 OUQMTCIAIIYQEL-BBRMVZONSA-N 330.363 2.300 0 1 EEAF COCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2)CC12CCCCC2 65266061 MQBMZWRYEHSCQF-KRWDZBQOSA-N 344.455 2.472 0 1 EEAF CSc1nc2ccccn2c(=O)c1S(=O)(=O)c1ccccc1 38421563 CSFWZQBUTIOBRQ-UHFFFAOYSA-N 332.406 2.249 0 1 EEAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NC[C@H](N)C2 73981898 IOIPGNPFRJOTEC-ZDUSSCGKSA-N 349.394 2.194 0 1 EEAF Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(N2CC[C@@H](O)C2)n1 40405086 MQOQRZFCMHSVRA-OAHLLOKOSA-N 345.374 2.410 0 1 EEAF Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCCc1ccccn1 82223991 BNZUQKMDIOYDEZ-GJZGRUSLSA-N 327.432 2.448 0 1 EEAF CC[C@H](CO)Nc1cncc(Nc2nc3cncnc3n2C(C)C)n1 95597791 VGAXWFQZQONAPZ-LLVKDONJSA-N 342.407 2.124 0 1 EEAF C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@H](CC[C@@H]3O)[C@]12C[C@H](c1ccoc1)OC2=O 257439475 HUIHUOGNNSDDIV-CWOOJZFUSA-N 344.363 2.287 0 1 EEAF O=C(c1ccco1)N1CCO[C@H]2CN(c3ccccn3)CC[C@@H]2C1 299841684 BKUVWAONNDMBQI-ZBFHGGJFSA-N 327.384 2.042 0 1 EEAF CCn1c(C)nnc1[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 299854537 ABBCTFWLQPQNKP-VIFPVBQESA-N 328.825 2.299 0 1 EEAF CC(C)(C)OC(=O)N(Cc1nc2cncnc2[nH]1)C[C@@H]1CCCO1 587197274 NJGVYMCLWHZRAO-NSHDSACASA-N 333.392 2.269 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccnn1C)O2 587392108 QSTZDUCUSUOCML-IWHGQQBYSA-N 326.400 2.247 0 1 EEAF CNC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587746190 YUDASAQZZCEYDR-XLKFXECMSA-N 329.213 2.474 0 1 EEAF CC(C)(C)OC(=O)N1CCC[C@H]1Cc1ccc2c(O)nc(O)nc2n1 587558984 VPEJHSAKIKCXKJ-NSHDSACASA-N 346.387 2.378 0 1 EEAF CCOC(=O)c1ncc(Cl)cc1-c1ccc2c(O)nc(O)nc2n1 587368184 DMPRANCBBVMIRV-UHFFFAOYSA-N 346.730 2.328 0 1 EEAF COc1ccc(Cl)c2c1NC(=O)[C@]21NCCc2ccc(O)cc21 963341599 MYNKPQPCIVBKNN-QGZVFWFLSA-N 330.771 2.396 0 1 EEAF CNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@H]1C)OCO3 13604055 BNHNCCQQZNCFQJ-SNVBAGLBSA-N 338.367 2.466 0 1 EEAF N=C(N)c1ccc(/C=C/c2ccc3c(c2)CCN(CC(=O)O)C3=O)cc1 13763529 ZLHYQWZCXWQCMC-OWOJBTEDSA-N 349.390 2.224 0 1 EEAF c1cnc(N2CCC(CNC[C@@H]3COc4ccccc4O3)CC2)nc1 13799845 LMMWPOUOKPRTGA-MRXNPFEDSA-N 340.427 2.123 0 1 EEAF CC1(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc2NC1=O 203475138 CLZQPXPPWAZGJR-UHFFFAOYSA-N 331.416 2.012 0 3 EEAF CNc1nc(-c2cn(C)nc2Cc2ccccc2)cn2c(C)nnc12 209360940 RSTUWYLUVVSQFJ-UHFFFAOYSA-N 333.399 2.466 0 1 EEAF NC(=O)c1csc(CCCCCCc2nc(C(N)=O)cs2)n1 1628992 DJFLHEWVUZNPOD-UHFFFAOYSA-N 338.458 2.143 0 1 EEAF CC(C)(C)OC(=O)N1O[C@H]2C[C@H]1[C@@H]1[C@H]2N=NN1CCc1ccncc1 2356322174 ANOKHENGFVYZOL-ZQDZILKHSA-N 345.403 2.367 0 1 EEAF Cc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1 114576411 LBALNKBUJJYTRO-MRXNPFEDSA-N 326.400 2.275 0 1 EEAF O=C1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]2N1Cc1ccccc1 2356286148 UZWCUEQWVAEBAD-RTBURBONSA-N 340.398 2.438 0 1 EEAF Cc1oc(-c2nc(N)sc2-c2ccccc2)nc1P(=O)(O)O 66103946 ZQHXELVSAIOSNM-UHFFFAOYSA-N 337.297 2.159 0 1 EEAF CCOC(=O)[C@]1(C)C(=O)Nc2cc3[nH]c(-c4ccncc4)nc3cc21 28264272 DSGLEOFAHDZVCZ-SFHVURJKSA-N 336.351 2.398 0 1 EEAF Nc1nc(N2CCNCC2)c2oc3ccc(C(F)(F)F)cc3c2n1 73195765 FKSXFVMOLHTXSI-UHFFFAOYSA-N 337.305 2.387 0 1 EEAF C[C@@H]1c2c[nH]nc2-c2cc(F)ccc2N1S(=O)(=O)c1cnn(C)c1 45287655 IEEJRYYRLGNFPR-SECBINFHSA-N 347.375 2.219 0 1 EEAF CC(=O)NC1=NCC[C@@H](c2cn(C)c3cc(Br)ccc23)N1 45259624 HJSIWEQKDWGFJE-ZDUSSCGKSA-N 349.232 2.467 0 1 EEAF CCOC(=O)C[C@@H](C)Nc1nc(N2C[C@H](C)O[C@H](C)C2)ncc1C 82203617 NUGVJWFLHIMKTC-MCIONIFRSA-N 336.436 2.152 0 1 EEAF NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1 146439889 OGXMVGDHAPUYCP-INIZCTEOSA-N 343.427 2.228 0 1 EEAF Cc1nnc2n1-c1ccc(-c3cncc(S(C)(=O)=O)c3)cc1CC2 473117103 XUBBLADRWSJVEG-UHFFFAOYSA-N 340.408 2.140 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(C(N)=O)c1)O2 587388391 BQJZTWCIVLSOIQ-SFHVURJKSA-N 326.352 2.262 0 1 EEAF COC(=O)c1cccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 587128244 JVEAXGROCHUNBS-UHFFFAOYSA-N 344.281 2.392 0 1 EEAF COc1cc2c3c(c1)OC1(CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O 587435665 HZBBEXVOPCSGMT-LBPRGKRZSA-N 331.368 2.432 0 1 EEAF O=CN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583145 QWNQCCKCAKQCEF-MRXNPFEDSA-N 339.347 2.345 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(OC)cccc41)[C@@H](C2)C3=O 587441930 VMAMIEGFXVMOPA-HXPMCKFVSA-N 337.331 2.299 0 1 EEAF CN(C)c1ccc(-c2cc3nccnc3c(NCCCCO)n2)cn1 203752039 GNMMAGUTRIXXSA-UHFFFAOYSA-N 338.415 2.337 0 1 EEAF C[C@@H]1CCCCCCCCCC[C@H](O)[C@@H](O)[C@@H](O)/C=C/C(=O)O1 14857134 KECCBFYFEOTIBV-JHONHLCLSA-N 328.449 2.472 0 1 EEAF Cc1cc(C)n2nc(CCN3CCn4c3nc3ccccc34)nc2n1 1857549742 UAINILMGRPADKP-UHFFFAOYSA-N 333.399 2.154 0 1 EEAF CO[C@@H]1C=C[C@]23c4cc5c(cc4[C@H](C)O[C@H]2CN(C)[C@@H]3C1)OCO5 2356329322 BEUAXUHESIYYCT-XFNBSFSFSA-N 329.396 2.402 0 1 EEAF O=C1c2nc3cc(-c4ccco4)[nH]n3c(=O)c2CN1Cc1ccccc1 104305179 SUABILFKBOYEHK-UHFFFAOYSA-N 346.346 2.439 0 3 EEAF Nc1c(Cl)cc(C(=O)N[C@H]2CN3CCC2CC3)c2ncccc12 27523398 APTTVZDGFWGGHT-AWEZNQCLSA-N 330.819 2.294 0 1 EEAF CC(C)C(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(-n2cncn2)cc1 61927213 MLAQVDPPCRAQTM-SFHVURJKSA-N 341.415 2.243 0 3 EEAF COc1ccc2nc(C[C@@H]3CN(C(C)=O)CC[C@@H]3CC(=O)O)[nH]c2c1 2356744981 UFQWVPAYPQVNFA-CHWSQXEVSA-N 345.399 2.073 0 1 EEAF CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3snnc3c2)C1 61908433 GPTYWTRTJFRBPW-QGZVFWFLSA-N 346.456 2.460 0 3 EEAF COc1c(O)cc2c(c1O)C(=O)[C@@H](OC)[C@@H](c1ccc(O)cc1)O2 14643877 JLVQQMHPARILRE-NVXWUHKLSA-N 332.308 2.143 0 1 EEAF biogenic CC(C)(Cl)[C@@H](O)COc1c2c(cc3oc(=O)ccc13)OCO2 45350797 XHMFVXPQWOFICF-NSHDSACASA-N 326.732 2.279 0 1 EEAF COCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccco1 82142829 WFGYUKHQOHUITP-UHFFFAOYSA-N 332.404 2.205 0 1 EEAF CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3c4c(C)ccc(C)c4[C@H](O)[C@H]23)OC1=O 238746912 VTDCLRRDQIBELF-UDRPAJOJSA-N 342.347 2.294 0 1 EEAF CCOC(=O)[C@@H]1[C@@H]2CC[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@H]21 587439967 FAIYYFQMRJKVTO-NSDPQSHHSA-N 328.364 2.401 0 1 EEAF Cc1[nH]nc2ncc([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)cc12 962900243 IGQVPYYKGQXJDF-ZFWWWQNUSA-N 326.331 2.094 0 1 EEAF c1ccc(C2=C(c3ccco3)NNC2=C2N=c3ccccc3=N2)cc1 13125480 CKABURIWHLDVRT-UHFFFAOYSA-N 326.359 2.378 0 3 EEAF COc1ccc(CNc2nc3nc4c(c(O)n3n2)CCCC4)cc1 15668941 GFPGSYMUGMKGAQ-UHFFFAOYSA-N 325.372 2.329 0 1 EEAF Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(=NCCO)[nH]1 1857614229 JCRJFYZSIFGDIG-UHFFFAOYSA-N 340.474 2.386 0 1 EEAF O=S1(=O)[C@H]2C[C@H]3C=C[C@@]2(CN1Cc1cccc(C(F)(F)F)c1)O3 103108953 CNIXXLCVUIBDSB-RDBSUJKOSA-N 345.342 2.317 0 1 EEAF COc1ccc(CCc2nc(C)c(O)c(C(=O)O)c2C(=O)O)cc1 103241293 CWFOFIFVKUHVGE-UHFFFAOYSA-N 331.324 2.286 0 1 EEAF Cc1cc(C2=NNC(=O)[C@H](C)c3cc4c(cc32)OCCO4)ccc1N 29123860 VPGHDYUAMBLYSB-LLVKDONJSA-N 337.379 2.334 0 1 EEAF NC(=O)c1[nH]c2ccc(F)c(F)c2c1S(=O)(=O)c1ccccc1 28711502 WYHQITBIQPZUSE-UHFFFAOYSA-N 336.319 2.378 0 1 EEAF COc1cc(-c2nc3ccc(NC(C)=O)cn3n2)cc(OC)c1OC 74387285 FDVIYLXWCORRTO-UHFFFAOYSA-N 342.355 2.381 0 1 EEAF CC(C)(O)[C@H](O)Cc1c(O)c(C=O)cc2c1[nH]c1c(O)cccc12 15272369 RJSNUZVDUXENNX-CQSZACIVSA-N 329.352 2.219 0 1 EEAF biogenic CNc1nc2[nH]c(-c3cccc(CNC(C)=O)n3)cc2c2c1ncn2C 73386580 VGROGZOFQUBWHT-UHFFFAOYSA-N 349.398 2.189 0 1 EEAF CC(C)NC(=O)N(C)C[C@@H]1Oc2ccccc2C(=O)N(C)C[C@@H]1C 95663723 BDHZPLMJHRFXPS-BBRMVZONSA-N 333.432 2.206 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(S(C)(=O)=O)c(C)c1)O2 587410719 WSGKOUHREUAJLG-HNNXBMFYSA-N 346.408 2.391 0 1 EEAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1 587094006 YROYDSYLVWFQHR-IUCAKERBSA-N 333.335 2.479 0 1 EEAF NS(=O)(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587086267 ZZDPRFVFUBCOMK-UHFFFAOYSA-N 348.815 2.339 0 1 EEAF Cc1cc(Cl)ccc1OCCCc1nc2c(O)nc(N)nc2[nH]1 587066713 PQYBTLHMHGGRIZ-UHFFFAOYSA-N 333.779 2.614 0 1 EEAF CCn1c(=O)nc(O)c2c(-c3ccc(C)cc3)c3c(nc21)COC3=O 1772575492 XQIVSOWGERBFQG-UHFFFAOYSA-N 337.335 2.163 0 1 EEAF Cc1ccc(C(=O)O)c(CCCn2cnc3c2NC=NC[C@H]3O)c1 13807490 NXCSBXVIDCOCGM-CQSZACIVSA-N 328.372 2.010 0 1 EEAF CS(=O)(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccccc2)no1 61905629 GWFGITRAGNHKGL-CQSZACIVSA-N 349.412 2.414 0 3 EEAF CC=C1CO[C@H](O)[C@H]2[C@@H]1C[C@H]1N[C@@H]2Cc2c1[nH]c1ccc(O)cc21 2356603198 BAVRLOVTOBIXTQ-RBTBTEEASA-N 326.396 2.360 0 1 EEAF O=C(N1CCOCC1)C(Br)(C(F)(F)F)C(F)(F)F 3124608 LFBZDEYVMGDRNU-UHFFFAOYSA-N 344.049 2.104 0 1 EEAF biogenic Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)[C@@H]3C2=O)cc1 4260666 UIBVGPOKMCYZSF-CVEARBPZSA-N 341.411 2.211 0 1 EEAF biogenic COC(=O)c1ccccc1OCC(=O)NCCc1ccccc1OC 7096847 GUQCZRMFNHCKDG-UHFFFAOYSA-N 343.379 2.220 0 1 EEAF biogenic Cc1ccc(Cn2c(=O)[nH]c3c(N)nc(-c4nccs4)cc32)cn1 40939350 ZEHRPEUWHHBEJK-UHFFFAOYSA-N 338.396 2.182 0 1 EEAF CNC[C@@H](O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 224545551 HCBNPVZKROEVTG-GFCCVEGCSA-N 346.406 2.092 0 1 EEAF COc1cc(OC)c([C@H]2COc3cc(O)cc(O)c3C2=O)cc1C=O 238777080 AFLPFCWUFZPOET-GFCCVEGCSA-N 344.319 2.286 0 1 EEAF COC(=O)c1cc(OC)c2c3c1OC(C)=CC(O)=C3[C@H](OC)OC2=O 238761656 ARPKIESCUHOTPR-QGZVFWFLSA-N 348.307 2.190 0 1 EEAF CCNC(=O)Nc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cn1 299822789 BRZSQPNUXQWGJT-UHFFFAOYSA-N 344.371 2.493 0 1 EEAF CNS(=O)(=O)N1CCC(c2nc3cc4ccccc4cc3[nH]2)CC1 586955341 GTLQYZYWHIAGHB-UHFFFAOYSA-N 344.440 2.360 0 1 EEAF Nc1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1CC(=O)O 587249319 HHXMDMPBPWEJJY-HNNXBMFYSA-N 325.328 2.163 0 1 EEAF N=c1[nH]cc2nc(-c3cc4ccc(Br)cn4c3)nc-2[nH]1 587006099 HEHQEFZKAILBED-UHFFFAOYSA-N 329.161 2.399 0 1 EEAF C[C@@H](C(=O)O)n1cccc1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963030369 NMIJRLJBWDGWDY-VNBZBWLYSA-N 339.395 2.276 0 1 EEAF Cn1cc(Nc2ncc(Cl)c(NC3C[C@H]4CNC[C@@H]4C3)n2)cn1 1772640110 VAOABFRDWMMAQU-UWVGGRQHSA-N 333.827 2.017 0 1 EEAF C[C@]12C(=O)N(CCN)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 1620037 BWXOIMSWNBJEFJ-JWYNLTDQSA-N 332.403 2.227 0 1 EEAF CC(C)N[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 2356289446 VVYXWNYRLJMOFJ-HCXYKTFWSA-N 341.455 2.042 0 1 EEAF COc1cc2nc(N(C)C)nc(NC3CCN(C)CC3)c2cc1OC 36382565 XLDKAPYGJVCXCU-UHFFFAOYSA-N 345.447 2.219 0 1 EEAF CC(=O)Nc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1 36380806 UEQMGBUOQIMFCR-UHFFFAOYSA-N 344.440 2.470 0 1 EEAF NC(=O)c1cc2cc(N3CCNC[C@H]3Cc3ccccc3)ccc2[nH]1 43194153 WBGRUPCVVLWKNH-QGZVFWFLSA-N 334.423 2.288 0 1 EEAF CO[C@@]1(C)CCCN(S(=O)(=O)c2ccc(C(C)(C)O)cc2)CC1 43071207 HUYFCLIOUPPGDS-KRWDZBQOSA-N 341.473 2.494 0 1 EEAF CC(C)C[C@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1 84651882 VVHIKEQUOUROGD-AWEZNQCLSA-N 339.443 2.114 0 1 EEAF O=C(CP(=O)(O)O)NCCc1cccc(Oc2ccccc2)c1 40976477 AQQGCGUVPKXMDD-UHFFFAOYSA-N 335.296 2.315 0 1 EEAF Cc1cc2c(cc1C)-n1nnnc1[C@@H](N(C)Cc1ccccc1)C(=O)N2 95599269 CKBUPLOJPWAACI-QGZVFWFLSA-N 348.410 2.404 0 3 EEAF COc1ccc(C[C@@]2(O)Oc3cc(OC)cc(OC)c3C2=O)cc1 238736047 AEZPBYQXRDLZKB-GOSISDBHSA-N 330.336 2.219 0 1 EEAF O=C1CCc2cc(/C=C/C(=O)N3CC(c4ccccn4)C3)cnc2N1 299825846 CLCRJHVGALVENL-QPJJXVBHSA-N 334.379 2.001 0 1 EEAF Nc1ncnc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)sc12 653919130 KOSDTDDFEYEHDU-UHFFFAOYSA-N 340.408 2.413 0 1 EEAF CCCc1nc(-c2nc3ncnc(N)c3[nH]2)nn1-c1ccccc1F 587154221 AFIHFKNPQMGTTR-UHFFFAOYSA-N 338.350 2.274 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(COC[C@@H]1C(=O)OCC)CC2=O 587490976 MQSZQLISBVBBLZ-ACJLOTCBSA-N 334.368 2.258 0 1 EEAF CN1CCN(c2ccc3nc(CSC(C)(C)C(=O)O)[nH]c3c2)CC1 586958997 KAGAFVGOAGXWAK-UHFFFAOYSA-N 348.472 2.411 0 1 EEAF COC(=O)[C@@H]1CSCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454329 WFVXCTDRKJOBHE-PEBVRCNWSA-N 334.393 2.108 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc(O)n1 587868745 RRDAGZSDFYLFCC-UHFFFAOYSA-N 337.261 2.457 0 1 EEAF CCCS(=O)(=O)N1CCC(c2nc3cc4cn[nH]c4cc3[nH]2)CC1 586954585 GCLZCCLVRYEXAN-UHFFFAOYSA-N 347.444 2.358 0 1 EEAF N[C@@](CCc1ccc(Cl)c(Cl)c1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O 13777480 UOELDAGVWFOBTF-UINNMSKDSA-N 332.183 2.429 0 1 EEAF Nc1ncnc2c1ncn2C[C@H](O)CSc1ccc(Cl)cc1 169318244 CEIQKKCJZJNVDN-JTQLQIEISA-N 335.820 2.215 0 1 EEAF CC[C@@H](C)CCCC(=O)Nc1nc(N2CCOCC2)c2nc[nH]c2n1 1857562195 MHXDPJAGCIIKIT-GFCCVEGCSA-N 346.435 2.344 0 1 EEAF NCc1cc(Oc2cccc(C(=O)NCc3cccnc3)c2)ncn1 1857582516 FOLZFLXIJYBTQT-UHFFFAOYSA-N 335.367 2.053 0 1 EEAF N[S@@](=O)Oc1cc(C(=O)O)c(NCc2ccco2)cc1Cl 4689153 PJALBCRHHXTHAF-OAQYLSRUSA-N 330.749 2.160 0 1 EEAF O=C(NOCc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 103236028 KGPGVLQFAZZODB-UHFFFAOYSA-N 328.412 2.175 0 1 EEAF O=C(CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2)NC1CC1 100976596 KJTLSXGIBHEINN-QZTJIDSGSA-N 341.455 2.081 0 1 EEAF CC1=C(C(N)=O)[C@H](c2ccccc2)n2nc(-c3ccc(O)cc3)nc2N1 100087169 KVBWKPWFWMHEBW-INIZCTEOSA-N 347.378 2.425 0 1 EEAF CC(C=CC(=O)N[C@@H](CO)Cc1ccc(O)cc1)=C[C@H](C)CC(=O)O 2356752207 PWIPPVISROQJBU-GOEBONIOSA-N 347.411 2.025 0 1 EEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1CC=C1[C@H](O)[C@H]3C[C@@]12CC[C@@]3(O)CO 2356753243 HEZQTJICTKZYRG-NXZWVFBWSA-N 336.472 2.006 0 1 EEAF C[C@@H]1OC[C@@H]2[C@H]3CC(=O)[C@@]4(CCN(C)C[C@@H]13)c1ccccc1N[C@H]24 2356865081 WJNDCLTZZJQWQW-BISJRSAGSA-N 326.440 2.294 0 1 EEAF CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(C)=O 14826948 CCWSYXLJKBFVDL-IRXDYDNUSA-N 346.335 2.500 0 1 EEAF biogenic CC(C)(O)[C@@H]1OC(=O)c2cc(O)c3[nH]c4ccccc4c3c2[C@H]1O 13399159 JGJWXQATUAEENP-HZPDHXFCSA-N 327.336 2.370 0 1 EEAF biogenic CS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 73158916 LFTZXAHDASJCQW-UHFFFAOYSA-N 340.474 2.337 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H]1OC(=O)[C@@H]3C[C@H](O)C[C@@H]2[C@H]13 238737575 GFUMUSWDMNZQDZ-WBZXIVPDSA-N 346.379 2.223 0 1 EEAF COCc1c(C(=O)N[C@@H](c2cccs2)C2CC(O)C2)noc1C 230515679 DPDWIZNXIYMDLV-QIMFLAQGSA-N 336.413 2.433 0 1 EEAF COc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N)n1 587511316 OXIJAWWVTCDBKY-OAHLLOKOSA-N 325.368 2.653 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1c[nH]c3ncccc13)O2 587395709 GMCFTHOOSAHDHF-GOSISDBHSA-N 337.335 2.399 0 1 EEAF O=C1C[C@@H](c2nc3ccnc(O)c3[nH]2)CN1Cc1ccc(F)cc1F 587150704 TWBMRNFRKFJKIP-SNVBAGLBSA-N 344.321 2.458 0 1 EEAF Cc1cc2c(cc1O)[C@H](c1ncc(C(F)(F)F)[nH]1)N[C@H](C(=O)O)C2 963526823 OQGFFMRMMYVDAP-JOYOIKCWSA-N 341.289 2.131 0 1 EEAF CN1CCc2cnn(C)c2[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]12 963954802 LTJTWISIKTUQQR-ZRGWGRIASA-N 346.475 2.380 0 1 EEAF COc1ccc(C2=NN(CCO)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474084 BYYHDFCCMVGVAV-UONOGXRCSA-N 332.400 2.049 0 1 EEAF COc1ccc(Sc2c(C)[nH]c3nc(N)[nH]c(=O)c23)cc1OC 13760108 AGHPTCSNQQLEIQ-UHFFFAOYSA-N 332.385 2.310 0 1 EEAF CNC(=O)[C@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)NCC1CC1 2356299031 RXBHMNLUHFMADM-HOTGVXAUSA-N 349.862 2.118 0 1 EEAF c1cnc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)nc1 66258300 JKTXFSHXVQZAHI-UHFFFAOYSA-N 330.461 2.450 0 1 EEAF CCNc1nc2cc(Cl)c(NC(=O)CCO)cc2nc1NCC 115765109 SZCGZRDHUVDEBB-UHFFFAOYSA-N 337.811 2.468 0 1 EEAF CNC(=S)N(C)CCCCn1nc(-c2ccccc2)ccc1=O 27208902 UDWLUPCEMZQPPP-UHFFFAOYSA-N 330.457 2.127 0 1 EEAF CC(C)NC(=O)[C@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61907813 GCHKBOAWRRHYAO-MRXNPFEDSA-N 326.352 2.305 0 3 EEAF CC1(C)Oc2cc3oc(C4(O)CCCC4)cc(=O)c3c(O)c2C[C@@H]1O 2356400609 DLJBZDCGEFOJAQ-AWEZNQCLSA-N 346.379 2.335 0 1 EEAF CC(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 2356460866 MWSWDOSYPITZNH-XDNAFOTISA-N 349.519 2.310 0 1 EEAF O=C(O)C[C@@H]1CCN(CC2CC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356495395 QPKUFWUKOZITLU-UONOGXRCSA-N 328.416 2.323 0 1 EEAF O=C1CC[C@H](O)[C@@H]2[C@@H]1[C@@H](O)C=CC21Oc2cccc3cccc(c23)O1 2356505576 JDOPKJKDJUPYHU-KODHJQJWSA-N 338.359 2.194 0 1 EEAF COc1ccc2c(c1)N[C@@H]1[C@@H]3[C@@H](OC)OC=C4CN5CC[C@]21[C@H]5C[C@H]43 2356505880 SWKLBBXUTMDNSJ-SHMFVNDVSA-N 340.423 2.338 0 1 EEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@H]1[C@@H]2[C@H]2C=C[C@@]1(O)C(=O)O2 2356533997 FNDYJRBJAVGLKR-XQUWFHLASA-N 344.363 2.143 0 1 EEAF COc1cc([C@@H]2Cc3c(O)cc(CCCO)cc3[C@H]2CO)ccc1O 2356559593 LEOZZNWPCJSWGW-YOEHRIQHSA-N 344.407 2.447 0 1 EEAF CC=C1C[C@H]2C[C@H]3N1CC[C@@]31C(=O)c3ccccc3N1[C@H]2C(=O)OC 2356615001 RLYVFQYPWUGRNE-MYEBOKNISA-N 338.407 2.371 0 1 EEAF CC[C@@H](c1nnnn1-c1c(C)cccc1C)N1CCN(CC)CC1 199217426 BUCTUHHQFWILDB-INIZCTEOSA-N 328.464 2.368 0 3 EEAF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1nc[nH]n1 49112865 JLQNQGPJLJQVEH-GQGLESIBSA-N 342.358 2.201 0 1 EEAF Cc1ncc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cn1 145194594 CZEMSIGWEBSIMZ-UHFFFAOYSA-N 325.376 2.328 0 1 EEAF O=C1[C@H]2C=C(Br)[C@H](C[C@@H]2OCCCCCCO)[C@@]12CO2 95785163 VHTXGBQCZVQBHU-UHXUCMFUSA-N 345.233 2.191 0 1 EEAF O=C(Nc1cccnc1)[C@H]1C[C@H]2CCN(Cc3nccs3)C[C@@H]2O1 299841999 HVTXQHKSJOXDFA-YUELXQCFSA-N 344.440 2.156 0 1 EEAF Nc1ncnc2[nH]c(-c3ccnc(Cl)c3Br)nc12 586979012 FIBGSYLCDWRLCW-UHFFFAOYSA-N 325.557 2.413 0 1 EEAF CCOC(=O)Cc1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1 586893931 YCIXNHSUOXPJGR-KRWDZBQOSA-N 326.352 2.456 0 1 EEAF COc1cccc2cc3c(nc12)C1(CC(C(=O)NC2CC2)C1)NCC3 963038997 SVBJUQNRULXOML-UHFFFAOYSA-N 337.423 2.273 0 1 EEAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H]1OC(=O)[C@@H]3C[C@@H](O)C[C@@H]2[C@@H]13 15165379 GFUMUSWDMNZQDZ-TXSIQPMYSA-N 346.379 2.223 0 1 EEAF endogenous,in-man CCOC(=O)C1=NN(C(=O)Cc2ccccc2)[C@@](O)(C(C)(C)C)C1 298758 UPCSGZCKIINCPL-SFHVURJKSA-N 332.400 2.115 0 3 EEAF O=C([C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1)N1CCOCC1 4051915 YBZANHGUTHNURS-NVXWUHKLSA-N 326.352 2.230 0 1 EEAF CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)nc2n(CCC)c1=O 4770698 GLDYYZLOHBXJBU-UHFFFAOYSA-N 328.372 2.079 0 1 EEAF O=C1Nc2ccccc2O[C@H]2C[C@H]1N(C(=O)NCc1ccccc1)C2 2356290787 BPAPEHFFXJXELX-GOEBONIOSA-N 337.379 2.370 0 1 EEAF CCCOc1c(C(=O)OCC)cnc2c(Br)cnn12 26485854 WHWVFONULLBQKK-UHFFFAOYSA-N 328.166 2.457 0 1 EEAF CC(C)CNC(=O)[C@]1(C)CCCN1C(=O)c1ccc2c(c1)CCO2 61906840 RQCKZYNIWSLZPE-IBGZPJMESA-N 330.428 2.388 0 3 EEAF CCOc1cccc(/C=C2\SC(=O)NC2=O)c1N1CCC[C@@H](N)C1 84671049 YPGUAMCIYVJFOJ-OJLMPMFISA-N 347.440 2.337 0 1 EEAF CC1(C)C[C@@H](O)C[C@@]2(C)[C@H]1CC=C(CO)[C@@H]2CC/C(=C/CO)CO 238737596 HSBZCMPCYVPQSX-NIULFNDLSA-N 338.488 2.420 0 1 EEAF O=C(NCc1cccnc1)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2=O 263590959 LASZOIPRAOUPKZ-QXSJWSMHSA-N 329.400 2.097 0 3 EEAF O=C(NCc1nc2cnnc(O)c2[nH]1)c1cccc(C(F)(F)F)c1 587112902 WEOZLCFJZFWDNP-UHFFFAOYSA-N 337.261 2.007 0 1 EEAF COC(=O)c1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 587248880 ANFQAFAPBOUTLB-UHFFFAOYSA-N 325.324 2.221 0 1 EEAF Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)cc(F)c2[nH]1 586923363 JIPGKSKOUKLZDM-UHFFFAOYSA-N 342.783 2.204 0 1 EEAF Cc1c(Br)ccc2nc(CCS(=O)(=O)N(C)C)[nH]c12 586929759 ADBDOQPGYHLBQR-UHFFFAOYSA-N 346.250 2.068 0 1 EEAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(N)ccnc2[nH]1 587194397 RKLIJJZWPWEPLP-NSHDSACASA-N 334.424 2.058 0 1 EEAF CN(C)c1cc[n+](Cc2cccc(C[n+]3ccc(N(C)C)cc3)c2)cc1 13554566 GNUJVWFLQJUFCD-UHFFFAOYSA-N 348.494 2.490 0 1 EEAF CCOC(=O)c1cc(CCn2cnc3c2NC=NC[C@H]3O)ccc1C 13807690 WSHDFHIQQMIDDD-OAHLLOKOSA-N 342.399 2.098 0 1 EEAF C[C@H](C#N)NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167034009 GDCAGOKLQHQGMJ-GFCCVEGCSA-N 335.367 2.271 0 1 EEAF CNC(=O)N(C)[C@@H]1c2cc(C(=O)OC)ccc2Oc2ncccc21 28012480 GAMAVEASBUINKZ-AWEZNQCLSA-N 327.340 2.335 0 1 EEAF COc1cccc2c1[C@H](O)c1ccc3c(c1[C@@H]2O)C(=O)C[C@@](C)(O)C3 14764881 QFZLZZBDRASJLL-AQNXPRMDSA-N 340.375 2.052 0 1 EEAF biogenic O=S1(=O)C[C@@H]2c3ccccc3CCN2CN1Cc1ccccc1 263590777 PIOSXDKAAQIKCL-GOSISDBHSA-N 328.437 2.389 0 3 EEAF CCCc1c(O)ccc2c1O[C@]1(CCOC[C@@H]1C(=O)OC)CC2=O 587482230 DFAOBEXIWIUFHM-FZKQIMNGSA-N 334.368 2.258 0 1 EEAF CC1(C)OC(=O)C(c2nc3ccc(Br)c(O)c3[nH]2)=C1N 587253141 ARBSMZPYHPNPQQ-UHFFFAOYSA-N 338.161 2.036 0 1 EEAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(O)nc(O)nc2[nH]1 587927883 VSHJOVJFZGSYGM-SECBINFHSA-N 330.344 2.323 0 1 EEAF C=CC(=O)Nc1ccc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)cc1 587244366 PAEFEPAKJGWQGX-UHFFFAOYSA-N 342.380 2.002 0 1 EEAF CC(C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 1772616803 BFYSHDJGPAAHAK-HNNXBMFYSA-N 325.430 2.323 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1cccc(Cl)c1 13154360 KVTCHDSYFPESLK-DEPYFDJDSA-N 342.782 2.038 0 1 EEAF COc1cccc(-c2cc(NC(=O)C[C@@H]3CCN(C#N)C3)on2)c1 1857551457 UGTOHJBLJZBSKU-LBPRGKRZSA-N 326.356 2.482 0 1 EEAF CNC[C@H](O)CN1CCc2c(cccc2NCc2ccccc2)C1 1857591709 YRUYMMWXYZARMX-SFHVURJKSA-N 325.456 2.237 0 1 EEAF Cc1cnn(-c2ccncc2N2CCC(C(=O)N(C)C3CC3)CC2)c1 1857608762 DUJFYPOEZRBYPL-UHFFFAOYSA-N 339.443 2.413 0 1 EEAF CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2ccncc2)CC12CC2 1857773033 OCMXVQWXVVAJMF-HNNXBMFYSA-N 348.410 2.094 0 1 EEAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NC3CCCC3)C[C@@H](O)[C@H]2CO)n1 2356289089 PHKFBBGGCVPQDH-WNRNVDISSA-N 347.503 2.207 0 1 EEAF O=C1NC(=S)N/C1=C/c1cccc(-c2ccc3c(c2)COC3=O)c1 101463984 HLUVRKWEBOWDSJ-VIZOYTHASA-N 336.372 2.369 0 1 EEAF CC=C(C)C(=O)OC[C@@](C)(O)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 2356643142 IVIDHJTYZDMSNL-DNVCBOLYSA-N 344.363 2.357 0 1 EEAF O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)N(Cc2ccccn2)C1 15674632 CNUJJZQZWXDCLZ-SJORKVTESA-N 336.395 2.363 0 1 EEAF biogenic CCCNC(=O)N1CCC[C@]12CCN(c1ncnc3[nH]ccc13)C2 143880219 SCEVJRFTFWRPPL-QGZVFWFLSA-N 328.420 2.122 0 1 EEAF CCOC(=O)c1cnc(N2CCCC2)n2nc(-c3ccco3)nc12 299835336 YXPRLIQLCNQBBZ-UHFFFAOYSA-N 327.344 2.161 0 1 EEAF O=C1N(Cc2ccccc2)c2ccccc2[C@]12Cn1nncc1CO2 473089292 RBEPVAQWRGUOJB-LJQANCHMSA-N 332.363 2.251 0 1 EEAF COc1ccc(CN2CCO[C@H]3CN(C4CCC4)CC[C@@H]3C2=O)cc1 299842735 WKNUXUOUUPBDKN-OALUTQOASA-N 344.455 2.297 0 1 EEAF Cc1noc([C@H]2C[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]3O2)n1 299843928 ZVUWGPVAKFDMKS-MAZHCROVSA-N 329.356 2.069 0 1 EEAF C[C@]1([C@@H](O)CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357269 UBVWQDFUUHDEHV-XYJFISCASA-N 332.327 2.002 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CN2CCOCC2)N1 587772461 HPOQQEZGFNDVIC-ZUZCIYMTSA-N 343.240 2.496 0 1 EEAF Cc1c(F)ccc2c1[C@@](CS(=O)(=O)N(C)C)(C(C)C)NCC2 962149758 XTPUVHYLTDKSCS-MRXNPFEDSA-N 328.453 2.023 0 1 EEAF CN(C)C(=O)c1ccc(-c2cncnc2NCCc2cnc[nH]2)cc1 4239409 VVJPFJASRWBUCN-UHFFFAOYSA-N 336.399 2.223 0 1 EEAF O=C(NC1=NN=CC1)[C@H]1C(=O)N2c3ccccc3Cc3cccc1c32 100658518 PNMIMCVHZJJGBT-INIZCTEOSA-N 330.347 2.257 0 1 EEAF CCCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1cccnc1 103253013 FQXLGXQFXHRMFL-OAHLLOKOSA-N 326.352 2.435 0 1 EEAF C[C@H]1NC(=O)COC12CCN(CCc1c[nH]c3ccccc13)CC2 27987145 YMWCHFVKNLRUOY-CQSZACIVSA-N 327.428 2.080 0 1 EEAF COc1ccc(COc2ccc3c(c2)C(=O)NCCO3)cc1OC 103280358 AIMAKQVTRDFTMC-UHFFFAOYSA-N 329.352 2.405 0 1 EEAF COc1ccc([C@H]2c3ccc(O)cc3O[C@H]3NC(=O)NC(=N)[C@H]23)cc1 64454174 JOCZQSNNSSPRJD-YQQAZPJKSA-N 339.351 2.157 0 1 EEAF O=C1C[C@H]2O[C@@H]3C=C[C@@H](O)[C@@H]1[C@H]3C21Oc2cccc3cccc(c23)O1 2356670944 ITJMKILNODXZIW-OCONWOPSSA-N 336.343 2.211 0 1 EEAF CCn1c(-c2nonc2N)nc2cncc(-c3ccc(CN)cc3)c21 73280534 OOUZCKZPQVKRHO-UHFFFAOYSA-N 335.371 2.209 0 1 EEAF CC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C(=O)N=c1cc[nH]cc1 1911579906 JXXLKMZLFBOWBK-UHFFFAOYSA-N 336.351 2.073 0 1 EEAF Nc1ncc(-c2nc(N3C[C@@H]4CC[C@H](C3)O4)c3sccc3n2)cn1 45385750 RQUSSQSOEJOAEP-PHIMTYICSA-N 340.412 2.098 0 1 EEAF C[C@H]1Cc2cc(N(C)N(C)C)c(F)cc2-c2cc(=O)c(C(=O)O)cn21 49765533 GXVZHVVFOZZHPA-JTQLQIEISA-N 345.374 2.383 0 1 EEAF CC1(C)[C@H](O)C(=O)C[C@@]2(C)[C@@H]3CC[C@](C)([C@@H](O)CO)CC3=CC[C@H]12 238762832 IJIWEBRZAZWLRR-JBFYLRDPSA-N 336.472 2.459 0 1 EEAF Nc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587251224 COKLKPSUXIJXFO-UHFFFAOYSA-N 345.380 2.207 0 1 EEAF CC(C)(C)OC(=O)NC1(c2nc3cncnc3[nH]2)CCC(O)CC1 587237843 ZQASWYPFEYZLMO-UHFFFAOYSA-N 333.392 2.008 0 1 EEAF CN1C(=O)C[C@H]2CN[C@@]3(CCCc4nc(N)ccc43)c3cccc1c32 963023915 JAWUTBWVKRKMJJ-FKIZINRSSA-N 334.423 2.297 0 1 EEAF O=C(O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 13823376 JJLJZGDGOYIKBT-MDZDMXLPSA-N 349.320 2.400 0 1 EEAF in-vivo O[C@H]1CCN[C@@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 169345186 HKIWVNOCBNBVAO-OTWHNJEPSA-N 325.408 2.416 0 1 EEAF COc1ccc(C(=O)CN2CCN(c3ccccn3)CC2)cc1OC 265237 JWJOUZICFUBGRV-UHFFFAOYSA-N 341.411 2.104 0 1 EEAF Cc1ccc(Cl)cc1-n1c(=O)cc(N2C[C@H](C)O[C@@H](C)C2)[nH]c1=O 4003707 DMFFTJYOPSSREU-RYUDHWBXSA-N 349.818 2.101 0 3 EEAF Cc1cc2c(cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C)OCC(=O)N2 6873766 UCEFRFRCAYGGMC-CMPLNLGQSA-N 338.429 2.183 0 3 EEAF COc1cc2c(cc1OC)[C@]13CCN(C)[C@@H](C2)[C@@H]1CC(=O)[C@@H](OC)C3 101697497 UVQNELLAYVUQEY-HZVDNRATSA-N 345.439 2.196 0 1 EEAF O=CN1CCN(c2ccc(C[C@@H]3C(=O)Nc4ccccc43)cc2)CC1 103557113 AZGZGRJOCKSSHA-SFHVURJKSA-N 335.407 2.243 0 1 EEAF in-vivo CC[C@H](CCNC)CCNCCCCNCCC1CCNCC1 26377723 XPCMNUGZLSJWCU-GOSISDBHSA-N 326.573 2.361 0 1 EEAF C[C@]1(CO)[C@H]2CC[C@@]34C=C[C@@](CO)(CC[C@@H]3[C@@]23CC[C@@]1(O)OC3)C4 2356799215 UDLYZSYTTZQPRJ-WLWSEXLFSA-N 334.456 2.229 0 1 EEAF CN1O[C@](C)(CC(=O)NCc2cccc(O)c2)N=C1c1ccccc1 74373736 NLMHWFICUJNDME-LJQANCHMSA-N 339.395 2.439 0 3 EEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cncc(OC)c2[nH]1 587230982 KXBGUMGULBWWLD-RYUDHWBXSA-N 332.404 2.003 0 1 EEAF COc1ccccc1CC(=O)c1nc2cc(S(=O)(=O)O)ccc2[nH]1 587931821 TXRREKKMWWFBQC-UHFFFAOYSA-N 346.364 2.244 0 1 EEAF CC[C@]1(C(F)(F)C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421262 OZHZQSCVVZDVIJ-BMIGLBTASA-N 326.295 2.400 0 1 EEAF CS(=O)(=O)c1ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1 587959067 LQRASBIMHDQYIQ-UHFFFAOYSA-N 344.392 2.184 0 1 EEAF c1cc2c(ncn3nnc([C@@H]4CCCN(Cc5cncs5)C4)c23)[nH]1 1772624561 FKXBAZKIIGGPFW-LLVKDONJSA-N 339.428 2.442 0 1 EEAF COc1ccc(C2=NN(CCCO)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474085 VUISAJWDMBCIQP-LSDHHAIUSA-N 346.427 2.439 0 1 EEAF Oc1ccc([C@H](O)CN2CCC(O)(Cc3ccccc3)CC2)cc1 13742655 JOXQARHLDJQRMY-LJQANCHMSA-N 327.424 2.495 0 1 EEAF Cc1ccc(OCc2cn(C3CCN(CC4CC4)CC3)nn2)nn1 1857603692 KOAWPXKSFVXLJL-UHFFFAOYSA-N 328.420 2.002 0 1 EEAF CC(=O)Nc1ccc(S(=O)(=O)Cc2nc3ccccc3[nH]2)cc1 1857635321 LJUHKOIOWDPAAG-UHFFFAOYSA-N 329.381 2.495 0 1 EEAF CCC(=O)[C@H](Cc1ccc(O)c(Cl)c1)NC(=O)[C@@H](O)[C@@H](C)CC 2356390915 GQUNWFSEBZMTLB-NKFCBESUSA-N 341.835 2.459 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45c6cccc(OC)c6N(C)[C@@H]4[C@H]2C[C@H]1[C@H]3[C@@H]5O 2356560312 VJDUELIERLHSMS-CDICPSINSA-N 338.451 2.165 0 1 EEAF CC1(C)Oc2cc(C(=O)O)sc2[C@@H](N2CCCCC2=O)[C@@H]1O 27517795 MGICKKKDJPPGHD-YPMHNXCESA-N 325.386 2.032 0 1 EEAF COc1ccc(CN=c2[nH]cnc3c2ccc2nnn(C)c23)cc1F 1911581340 UBXVWDACJYTUQR-UHFFFAOYSA-N 338.346 2.093 0 1 EEAF O=C1[C@H]2C=C(Br)[C@H](C[C@H]2OCCCCCCO)[C@]12CO2 195366906 VHTXGBQCZVQBHU-HTTKSJEASA-N 345.233 2.191 0 1 EEAF CCOC(=O)[C@@H]1CN(C2c3ccccc3-c3ccccc32)C(=O)C1=O 146518461 WLPFNWYHPFIHDQ-MRXNPFEDSA-N 335.359 2.347 0 1 EEAF CCN1C(=O)CC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1F 95565688 USBRKWNEPKAILX-LLVKDONJSA-N 332.297 2.472 0 1 EEAF Nc1ncnc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 587120630 BPBCFVOYCJMRHQ-UHFFFAOYSA-N 337.187 2.363 0 1 EEAF COc1ccc(S(=O)(=O)Cc2nc3cccc(C(=O)O)c3[nH]2)cc1 586920883 TZLCCJJXLXMCGO-UHFFFAOYSA-N 346.364 2.244 0 1 EEAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587093158 XDRKWJYKDCZTHX-RXMQYKEDSA-N 327.266 2.274 0 1 EEAF CCOC(=O)/C(=C\N(C)C)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429221 PFLFUSUCEYLVDT-ISPQVQRCSA-N 345.395 2.210 0 1 EEAF COC(=O)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2n1 586907870 ODPYNBPWWJODCF-VIFPVBQESA-N 325.324 2.325 0 1 EEAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cncnc2[nH]1 587260108 SDHRYIQOTKMVGA-ZDUSSCGKSA-N 340.387 2.059 0 1 EEAF CCOC(=O)[C@@]1(c2cccs2)N[C@H](C(=O)O)Cc2cccc(F)c21 962897983 OBZCXQXNVLHWSA-SJCJKPOMSA-N 349.383 2.293 0 1 EEAF CC[C@H](C)CCCC(=O)Nc1nc(N2CCOCC2)c2nc[nH]c2n1 1857562196 MHXDPJAGCIIKIT-LBPRGKRZSA-N 346.435 2.344 0 1 EEAF O=c1oc2ccccc2cc1-c1nn(CN2CCOCC2)c(=S)o1 1857637589 XWLWDOSPKKGALS-UHFFFAOYSA-N 345.380 2.269 0 1 EEAF CCOc1ccc(C(=O)NC2CCN(C(=O)N3CCCC3)CC2)cc1 4888529 GOIGENKDPHXUMI-UHFFFAOYSA-N 345.443 2.495 0 3 EEAF CCC(=O)O[C@@H](c1cccc(O)c1)C1C2CN(C)CC1CN(C)C2 26247198 UDIRIJWPADKVDK-BCOZGUIHSA-N 332.444 2.126 0 1 EEAF Cc1ccc(-c2nc(C(=O)N[C@H](Cc3ccccc3)C(N)=O)co2)cc1 82069075 XIZMHXYYAPFLNN-MRXNPFEDSA-N 349.390 2.476 0 1 EEAF N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(Cl)nn23)C1 143595499 SNBKWZURQXFUQV-NSHDSACASA-N 343.822 2.449 0 1 EEAF C[C@H]1C[C@@H]2Oc3cc4oc(=O)ccc4cc3C(C)(C)C(=O)[C@H]2[C@H]1O 238752863 ZRASJWQDWXPKAD-AUVZDXODSA-N 328.364 2.418 0 1 EEAF O=C(Cc1ccc2c(c1)CCCC2)N[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257269050 MOJDWZMKEDLGJB-QWFCFKBJSA-N 339.439 2.185 0 1 EEAF COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](OCc2ccc3sccc3c2)C1 653866582 ALGHWSBTLBQVMW-IIAWOOMASA-N 334.393 2.011 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)(c1ccc3c(c1)OCCO3)O2 587407446 IJIYBERRQOSZOT-LJQANCHMSA-N 341.363 2.201 0 1 EEAF COCCOc1cccc(F)c1-c1ccc2c(O)nc(O)nc2n1 587368352 OCLSKFHLGIMXOS-UHFFFAOYSA-N 331.303 2.267 0 1 EEAF COC(=O)c1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1OC 587028886 AYZOSSIGVACEAN-SNVBAGLBSA-N 332.385 2.057 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2C(CCO)(CCO)N1 587828768 VFHFKJZLUXCNSL-VIFPVBQESA-N 332.213 2.083 0 1 EEAF COc1ccccc1[C@@H]1CC(=O)Cc2nc3nc(O)nc(O)c3cc21 587559892 OMHQFUFUHWXFKQ-NSHDSACASA-N 337.335 2.092 0 1 EEAF CSC[C@H](C)N1CCC(N2CCC(C(=O)NC(C)C)CC2)CC1 12313744 KFZIKAFEDLMUHZ-HNNXBMFYSA-N 341.565 2.439 0 1 EEAF CN(Cc1ccccc1)c1ccc(C(=O)N[C@@H]2CCN(C#N)C2)cn1 1857580248 GSSYGNRWGKCRDC-QGZVFWFLSA-N 335.411 2.003 0 1 EEAF CC(=O)Nc1cccc2c1[C@H]1c3ccccc3[C@H]2[C@H]2C(=O)NC(=O)[C@H]12 1857603467 OZQOTOAAFVHBSB-VDHUWJSZSA-N 332.359 2.125 0 1 EEAF C[C@]12C[C@@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@@H]3C[C@@H](C[C@@H]12)OC3=O 104370913 QEANLIISUSNNDX-RJMZWSJLSA-N 344.363 2.383 0 1 EEAF in-man COC(=O)[C@]1(C)C=CC[C@]2(C)c3ccccc3[C@@](O)(C(=O)OC)[C@@H]21 2356694727 DYTMETPHCBJJLH-PIKADFDJSA-N 330.380 2.074 0 1 EEAF COC(=O)c1cc(OC)n(-c2n[nH]c(-c3ccccc3F)n2)c1OC 587946737 WKZRUVRJNGOPQZ-UHFFFAOYSA-N 346.318 2.205 0 1 EEAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@](C)(O)C(C)C)[nH]c2c1 586888071 KIGLBFYPPPHFPQ-INIZCTEOSA-N 339.461 2.457 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COCC2=O)N1 587834265 KPBJAHFKQZKFII-RTHLEPHNSA-N 326.165 2.431 0 1 EEAF Cc1cc2c(O)nc(O)nc2nc1C1(c2ccccc2)CCNCC1 587555467 OJVWPJRSQBXYFS-UHFFFAOYSA-N 336.395 2.414 0 1 EEAF NC(=O)c1ccc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2c1 587254572 NRLSIFFBBZIGHY-UHFFFAOYSA-N 330.351 2.368 0 1 EEAF COCc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)no1 963231498 MTJVOYGGWNOIFY-IAGOWNOFSA-N 339.351 2.058 0 1 EEAF COC(=O)c1ccc2c(c1)NC(=O)[C@@]21NCCc2cc(Cl)ccc21 963389600 CIFIUTYGUZNYOL-SFHVURJKSA-N 342.782 2.468 0 1 EEAF COc1nc(OC)nc(Sc2ccc(C(=O)O)cc2Cl)n1 1857564442 UDCZMTXVJZNJRM-UHFFFAOYSA-N 327.749 2.392 0 1 EEAF Cc1ccccc1OCCSc1nc(N(C)C)nc(N(C)C)n1 5127668 PCCNMTUEIUWMJD-UHFFFAOYSA-N 333.461 2.483 0 3 EEAF CCOC(=O)CN1CCN(c2nc3ccsc3n3cccc23)CC1 13755952 PQWUNHKJEXFYJI-UHFFFAOYSA-N 344.440 2.234 0 1 EEAF O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](C(=O)O)[C@@H]3O4)ccnc2N1 150294661 DFGSAHDXAISKIW-HRCADAONSA-N 338.319 2.318 0 1 EEAF CCn1nc(C)c2cccc(Oc3nc(OC)cc(OC)n3)c2c1=O 103296225 XTUOWTIUGLYJTQ-UHFFFAOYSA-N 342.355 2.324 0 1 EEAF CCn1c(=O)c2cnc3c(OC)cccc3c2n(CC(C)C)c1=O 117790400 DSQGVLPQTIMWFJ-UHFFFAOYSA-N 327.384 2.396 0 1 EEAF COc1cc2c(cc1O)[C@@H]1Cc3cc(O)c(OC)cc3C(=O)N1CC2 49033690 VTOBHWOZXDRRAP-AWEZNQCLSA-N 341.363 2.411 0 1 EEAF CCn1ncnc1[C@@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1 142081496 MURHHZRPMVGORG-VXGBXAGGSA-N 345.407 2.242 0 1 EEAF Oc1nncc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007296 GMWCGTMYPWZORI-UHFFFAOYSA-N 331.133 2.136 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C)c1N(C)C)[C@@H](C2)C3=O 587431383 KFLGPSZEPXSSEK-YVEFUNNKSA-N 327.384 2.292 0 1 EEAF CCCCS(=O)(=O)N[C@H](c1nc2cc(N)c(N)cc2[nH]1)C(C)C 586933664 VRXCLQUOBPFAEM-AWEZNQCLSA-N 339.465 2.144 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(CC(=O)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587451302 HBKCDRLSCCHSBG-ORAYPTAESA-N 338.315 2.353 0 1 EEAF CC1C[C@@H]([C@@H](O)c2ccccn2)C(=O)[C@@H]([C@@H](O)c2ccccn2)C1 7991249 AHKMRDPUGQRUPR-YCYGTRNTSA-N 326.396 2.475 0 1 EEAF O=C(O)CS[C@H](CC(=O)c1ccc(Br)cc1)C(=O)O 28473522 ABTRMPBSZSUHEL-SNVBAGLBSA-N 347.186 2.293 0 1 EEAF C[C@@H]1CCC[C@@H](O)[C@H](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 2356415912 BDYVVSINDMFZGR-KCPJHIHWSA-N 336.384 2.342 0 1 EEAF C[C@@H]1C[C@@H]2[C@H](CC[C@](C)(O)C=C3[C@H](O)[C@H](C)C[C@]3(O)C1=O)C2(C)C 2356513431 ZFDMXNDICCVTAD-RVMSTXCCSA-N 336.472 2.457 0 1 EEAF CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O 5858302 YJOWXMGENDGFDH-DLBZAZTESA-N 346.335 2.500 0 1 EEAF biogenic COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1 34801556 JKIMMHVNXRAOAO-KRWDZBQOSA-N 331.412 2.363 0 1 EEAF C[C@@]1(c2cc(N)ccc2F)CS(=O)(=O)C2(CCCCC2)C(N)=N1 217745205 WWGYWODVFGIRNA-HNNXBMFYSA-N 339.436 2.112 0 1 EEAF CS[C@@]1(C)NC(=O)[C@@](Cc2c[nH]c3ccccc23)(SC)NC1=O 13413583 WZCXTZDWTILORX-HZPDHXFCSA-N 349.481 2.095 0 1 EEAF biogenic COC(=O)Cc1cc(O)cc2oc(-c3ccc(O)cc3O)cc(=O)c12 84653775 JCTWLDRAXXIKDG-UHFFFAOYSA-N 342.303 2.292 0 1 EEAF O=C(NCc1ccco1)[C@H]1CC[C@H]2[C@@H](CCN2Cc2nccs2)O1 299842520 HQCGIEUVBASAFU-RRFJBIMHSA-N 347.440 2.174 0 1 EEAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 587142278 QXNWPLLIZUEIIY-UHFFFAOYSA-N 345.277 2.434 0 1 EEAF CCOc1cccc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)n1 963525038 LHMKLEPLWFANCP-SUMWQHHRSA-N 328.368 2.183 0 1 EEAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC(=O)OC)(C(OC)OC)N1 962946814 JMKOEZRDQMXUIZ-HXPMCKFVSA-N 346.427 2.470 0 1 EEAF CCc1nnc(NC(=O)CSc2nnc(-c3ccco3)o2)s1 5042528 BKPVPSCZOGXMGO-UHFFFAOYSA-N 337.386 2.474 0 3 EEAF CCn1c(C)c(C)c2cc(C(=O)NCCN3CCOCC3)ccc21 20583780 AUGSQSUZSQAKGI-UHFFFAOYSA-N 329.444 2.340 0 3 EEAF O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H]2CO[C@@H](c3ccc(O)c(O)c3)[C@@H]12 14727712 DFZNKMAEHVZMHR-SQBBPKDDSA-N 344.319 2.111 0 1 EEAF biogenic COc1cc(OC)c([C@@H](OC(C)=O)[C@H](C)OC(C)=O)cc1OC 14817944 XGAOQHXEUYLUCB-FVMDXXJSSA-N 326.345 2.268 0 1 EEAF biogenic Nn1c(CS(=O)(=O)c2ccccc2)nnc1-c1ccccc1Cl 40900906 NDVAVZLCMUMNRD-UHFFFAOYSA-N 348.815 2.286 0 1 EEAF CN1C(=O)OC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 43199814 ONNLHBQOUYFFMZ-VIFPVBQESA-N 336.697 2.426 0 1 EEAF C[C@@H]1O[C@@H](SCCC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@@H](O)[C@@H]1O 40631457 HWVMUFHBNMDWTI-ZVFHFXRFSA-N 342.501 2.154 0 1 EEAF Nc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587574718 GUKFEXAEGJZZJD-RHSMWYFYSA-N 335.319 2.467 0 1 EEAF CC(=O)NC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587752217 DESFRTURDDUQPQ-RTHLEPHNSA-N 329.213 2.474 0 1 EEAF CCS(=O)(=O)NCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 586941945 FQJYZBWPCLFXGZ-UHFFFAOYSA-N 337.232 2.137 0 1 EEAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccnn1C)[C@@H](C2)C3=O 587433203 WGVNXBKTEKCBKM-DIVWQOPOSA-N 339.395 2.147 0 1 EEAF COc1ccc(S(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCO4)cc1 586919937 ARTJTEWVCHDEFP-UHFFFAOYSA-N 346.364 2.274 0 1 EEAF O=C(O)C(=O)CC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605108 XJDJYSLHBGKWBM-HIFRSBDPSA-N 342.303 2.156 0 1 EEAF C[C@@]1(Cn2cnc3ccsc3c2=O)NCCc2ccc(O)cc21 963341978 PHCJNFORJIYHPT-KRWDZBQOSA-N 327.409 2.225 0 1 EEAF C[C@@]1(c2ccsc2C(=O)O)N[C@H](C(=O)O)Cc2cc(F)ccc21 962899223 QPXQIWWMLVJTIP-BLLLJJGKSA-N 335.356 2.448 0 1 EEAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2nccn2CC(F)(F)F)N1 962901955 UTYYBOKTEZMTHB-NWDGAFQWSA-N 343.280 2.273 0 1 EEAF COC(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 13557244 ZWUKNHQASDKHCT-LLVKDONJSA-N 325.670 2.378 0 1 EEAF O=C1COc2cccc3c2N1Cc1c(-c2noc(C4CC4)n2)ncn1-3 13760375 YPZRUFKTOXAIRG-UHFFFAOYSA-N 335.323 2.039 0 1 EEAF CCN1CNS(=O)(=O)c2cc(C(=O)Oc3cccc(C)c3)ccc21 169328561 WNZVCDCLDXFLCB-UHFFFAOYSA-N 346.408 2.290 0 1 EEAF CCCCN=c1[nH]c(=N)[nH]c2c1CN(Cc1cc(F)cc(F)c1)CC2 1857770438 CHWHKFKJRWODRL-UHFFFAOYSA-N 347.413 2.360 0 1 EEAF CSCC[C@H](N)C(=O)NC(Cc1c[nH]c2ccccc12)=C(O)O 100387676 NEIBHIXJKLPJQJ-LBPRGKRZSA-N 335.429 2.192 0 1 EEAF endogenous,in-vitro O=C(Cc1ccc(Cl)cc1)N1CCNC[C@@H]1COc1cccnc1 114580326 IHKNOFQSZSFHIL-MRXNPFEDSA-N 345.830 2.157 0 1 EEAF O=c1cccccc1N1CCN(C[C@H](O)c2ccc(F)cc2)CC1 29562420 FBRHADWPZYJKKS-IBGZPJMESA-N 328.387 2.042 0 1 EEAF O=C1CCC2(Oc3cccc4cccc(c34)O2)[C@H]2[C@H]1[C@H](O)CC[C@H]2O 2356423848 LYHLLBJEQIPGLK-SMXXELNSSA-N 340.375 2.418 0 1 EEAF O=C(O)C[C@@H]1CCN(C(=O)C2CC2)C[C@H]1Cc1nc2ccccc2[nH]1 2356483544 OFTKLZBPQAHASL-UONOGXRCSA-N 341.411 2.455 0 1 EEAF COc1ccc(CNCCS(=O)(=O)NC2CCCCC2)cc1 61931115 NNXOPFUWTASHED-UHFFFAOYSA-N 326.462 2.037 0 3 EEAF O=C1NC(=O)c2c1c([C@@H]1CCCNC1)cc1[nH]c3ccc(O)cc3c21 36161188 XYFALEZTWVAUGS-SECBINFHSA-N 335.363 2.377 0 1 EEAF O=C(Nc1nccs1)c1nc[nH]c1C(=O)NCc1ccccc1 36387790 KKDMZFJQBAPMAV-UHFFFAOYSA-N 327.369 2.049 0 3 EEAF Cc1cccc(C(=O)CNc2nc(-c3ccncc3)cc(=O)n2C)c1 34028937 CDAHDZOBLSRLJM-UHFFFAOYSA-N 334.379 2.446 0 1 EEAF CCOc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1 95589345 IPNHOTIKZDNVEY-IKGGRYGDSA-N 326.396 2.434 0 1 EEAF COc1cc2c3c(c1)O[C@@](CNC(C)=O)(c1ccccc1)[C@@H](C2)C3=O 587431056 YHQLZJZCYFQKKC-JXFKEZNVSA-N 337.375 2.474 0 1 EEAF CCOC(=O)C[C@H](C(=O)OCC)[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587397644 AEXWNVVPKTXLPA-SWLSCSKDSA-N 349.383 2.044 0 1 EEAF O=C(NCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cscn1 587027488 DUMZTFVVJWBNBI-UHFFFAOYSA-N 338.295 2.271 0 1 EEAF CC1=C[C@@]2(CC(=O)N1CC1CC1)N[C@H](C(=O)O)Cc1cc(F)ccc12 962890006 AHXVWCBLHWCUPB-LPHOPBHVSA-N 344.386 2.166 0 1 EEAF CNCc1cc(NC(=O)Nc2cccc3c2[C@H]2CCCN2C3=O)n[nH]1 12354934 CSEMLDOWPBRBHH-CYBMUJFWSA-N 340.387 2.064 0 1 EEAF O=C(/C=C/c1ccc2c(c1)OCCO2)NC1=C(C(=O)O)CCCC1 169327839 AEQNNQKJUBKOBX-SOFGYWHQSA-N 329.352 2.500 0 1 EEAF C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2c(N)ccc3nccn23)c1O 169727146 LCNVRUXNPOWVOK-CALCHBBNSA-N 326.356 2.373 0 1 EEAF COc1ccc(CCN[C@@](C)(CO)P(=O)(OC)OC)cc1OC 1857586865 OLNRBUGCKPTHDY-OAHLLOKOSA-N 347.348 2.030 0 1 EEAF Cc1cc(O)nc(-n2ncc(C(=O)N3Cc4ccccc4C3)c2C)n1 1857620260 PFQCKWQKTCGFPQ-UHFFFAOYSA-N 335.367 2.141 0 1 EEAF CCOc1ccc2c(c1)=C(c1ccc(C)o1)NN=C(c1ccncc1)N=2 103840178 VDDMVMBLKBPBGO-UHFFFAOYSA-N 346.390 2.123 0 3 EEAF O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1cc[nH]c1-2 53313505 ZFLWYSBTENCHRV-UHFFFAOYSA-N 326.377 2.301 0 1 EEAF Cc1cc(C)c(C(=O)c2ccc(-n3ncc(=O)[nH]c3=O)cc2)c(C)c1 25962980 VIVNULWXPVIIGJ-UHFFFAOYSA-N 335.363 2.077 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NCC12C[C@H]3CN(C[C@@H]3C1)C2 100818555 UVHMYOBKZSQXOO-QWRGUYRKSA-N 335.835 2.002 0 1 EEAF CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 45498444 XSAQKAFVKVGNJC-JOYOIKCWSA-N 341.351 2.271 0 1 EEAF COc1ccc(CC(=O)[C@@H](C)C(=O)N2C(=O)OC[C@@H]2C(C)C)cc1 2356703357 YQWCOMZJJAFFNM-IUODEOHRSA-N 333.384 2.446 0 1 EEAF C[C@]1(O)CCN(CC2CC2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356758737 CZNNTSRAVGNGHE-GGPKGHCWSA-N 328.456 2.489 0 1 EEAF O=C1CC[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)NN1 213736110 KRFVWXBCPDARBM-ZDUSSCGKSA-N 342.424 2.021 0 1 EEAF CCCn1nc(C(=O)Nc2nonc2-c2ccc(C)cc2)ccc1=O 78875596 MGVMSZUJKOINBA-UHFFFAOYSA-N 339.355 2.264 0 1 EEAF C[C@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)Nc1nccs1)C(=O)N2 195517990 RORFIKIEDJVZJB-KNHMANMVSA-N 329.381 2.110 0 1 EEAF Cc1cc2c(cn1)[nH]c1[n+]2C[C@H](N)[C@@H](c2cc(F)c(F)cc2F)C1 139873785 ZKIQXZCIJWYYJX-YGRLFVJLSA-O 333.337 2.243 0 1 EEAF C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)nc3n21 147136347 LOVYPHDMDZPQDA-MRVPVSSYSA-N 327.369 2.050 0 1 EEAF Cc1nnc(N2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)s1 96065422 OSJLCVFJAASDIR-ILXRZTDVSA-N 332.429 2.195 0 1 EEAF C[C@@H]1O[C@H](SCCC23CC4CC(CC(C4)C2)C3)[C@H](O)[C@H](O)[C@H]1O 253685772 HWVMUFHBNMDWTI-BJPDZWSTSA-N 342.501 2.154 0 1 EEAF COc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c(O)c1 587652523 TXQRZQISOQFCOB-UHFFFAOYSA-N 330.727 2.453 0 1 EEAF N[C@@H](Cc1ccccc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587653412 VRVKOVOHVWUHJI-HNNXBMFYSA-N 327.771 2.260 0 1 EEAF Nc1nc2cccc([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)c2o1 962896232 LNHJGAJZXCEKDD-JSGCOSHPSA-N 327.315 2.237 0 1 EEAF C[C@@]12C[C@H](O)C[C@@](C)(CO)[C@H]1C=CC1=C[C@@](C)([C@@H](O)CO)CC[C@H]12 1772605649 USJZROONAWEOBF-JPDRSCFKSA-N 336.472 2.028 0 1 EEAF CC[C@@](C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O 150074616 RQWVIHJCNAHLON-GOSISDBHSA-N 331.416 2.132 0 1 EEAF Cc1cccc(C)c1CN1CCN(c2cnnc(O)c2Cl)CC1=O 1857554281 KJMZPIPMPOYAEK-UHFFFAOYSA-N 346.818 2.301 0 1 EEAF CS(=O)(=O)Oc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 1857611198 RSXCLWVKFXPQNG-UHFFFAOYSA-N 332.337 2.448 0 1 EEAF CC(=O)Nc1sc(Cc2ccc3c(c2)OCO3)c(C)c1C(N)=O 4247518 LAMSTDALGKPGTM-UHFFFAOYSA-N 332.381 2.433 0 1 EEAF COCCNC(=O)c1[nH]c(C)c(C(=O)O[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C 101492822 FWRUVQJJRZNKPE-MGPQQGTHSA-N 334.416 2.353 0 1 EEAF CC(C)c1nccc(C[C@@H]2[C@H](NCC(C)(C)C)C[C@@H](O)[C@H]2CO)n1 2356305626 RWZDOOVWZPDPNP-MWDXBVQZSA-N 335.492 2.136 0 1 EEAF O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@@H](O)C[C@@H](c2ccco2)N1C3 2356522302 CMYSMCWWICFNSV-HAEOWDPNSA-N 330.428 2.177 0 1 EEAF CC[C@]1(O)CN2CC[C@]34C(=C(OC(C)=O)[C@H]1C[C@@H]23)Nc1ccccc14 2356551509 ICCHHWSKGFWLQK-BXIUTXANSA-N 340.423 2.374 0 1 EEAF C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CC(F)(F)F 199215000 QPDAJEVIDJKFRS-CQSZACIVSA-N 339.321 2.121 0 3 EEAF COc1ccc2c(c1)C(=O)C(c1ccc(N3CCOCC3)cc1)=[N+]2[O-] 221147244 ZSDYMXOTLWUWCI-UHFFFAOYSA-N 338.363 2.359 0 1 EEAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cnn(-c2ccccc2)n1 146707400 LDPLZVASDOKHIH-SFHVURJKSA-N 349.394 2.181 0 1 EEAF COC(=O)C(C(=O)OC)[C@@H]1O[C@]23COC=C[C@]2(C)[C@@H]3c2ccccc21 254047287 PMTNJZPBVCGODU-OHQAAIJDSA-N 344.363 2.106 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@H](C(=O)O)[C@H](C(=O)O)C1)O2 587403900 MYPZDXMEELTIMJ-QDODYTRSSA-N 347.367 2.113 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](S(C)(=O)=O)C1)[C@@H](C2)C3=O 587450783 UUGOTPFRPQUUEB-IIYDPXPESA-N 336.409 2.169 0 1 EEAF N=c1[nH]cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc-2[nH]1 587043798 VIRVTLDRDYYEQW-JTQLQIEISA-N 346.803 2.026 0 1 EEAF CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(I)cc2[nH]1 587234722 IHXCYULWZZGQAI-JGVFFNPUSA-N 341.152 2.017 0 1 EEAF COC(=O)C[C@@]1(c2ccco2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452533 DSEDQSIUVNBTSQ-KZULUSFZSA-N 328.320 2.494 0 1 EEAF CCOC(=O)c1sc(Nc2ncccn2)nc1-c1ccncn1 1772617768 KJASIAWXGPBZRT-UHFFFAOYSA-N 328.357 2.310 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1CN(C3)C2 101022738 LBXVOPLYLDLZEV-IMRMUTQVSA-N 335.835 2.001 0 1 EEAF Cn1cc(CN2C[C@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)cn1 2356299261 DCGKLVNVMXRROK-XJKSGUPXSA-N 347.369 2.175 0 1 EEAF CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)[nH]n2c1=O 103907509 JHCKMIKJZMSRBA-UHFFFAOYSA-N 325.368 2.412 0 3 EEAF CC(C)(C)NC[C@@H](O)COc1ccc(OCCn2cccn2)cc1 27556627 AJATVCKSUBEDCO-OAHLLOKOSA-N 333.432 2.090 0 1 EEAF COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)/C=C/C(C)(C)COC2=O 49033130 BMKXKEIIOWVNSK-YOVPTBBWSA-N 348.395 2.279 0 1 EEAF Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cnco3)co2)n1 95578457 ACOHLBJMHFMESU-UHFFFAOYSA-N 345.336 2.238 0 1 EEAF Nc1cc(CC[C@H]2CN(Cc3ccc(C(=O)O)cc3)CCO2)ccn1 299850819 KGHGPJSBXSNCNS-KRWDZBQOSA-N 341.411 2.196 0 1 EEAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cnncc3[nH]2)cc1 586940167 WIOWABCUCYPKNX-SNVBAGLBSA-N 331.401 2.097 0 1 EEAF NC(=O)c1cccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 586925116 VSWMNDSVJZKMMO-MDZDMXLPSA-N 327.365 2.106 0 1 EEAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 587787983 YNRNLNNYFRGWPQ-UWVGGRQHSA-N 342.380 2.291 0 1 EEAF Cc1ccc(CCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1N 587250611 NJXUIMGARRGCIY-UHFFFAOYSA-N 331.397 2.485 0 1 EEAF N[C@H]1Cc2c(Cl)cccc2[C@@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962892886 FEDIEJOVOQXNFN-RLFYNMQTSA-N 346.789 2.205 0 1 EEAF O=c1cc(Cl)[nH]nc1NS(=O)(=O)Cc1cccc(Cl)c1 222815710 NAIURGMPMYMMCG-UHFFFAOYSA-N 334.184 2.019 0 1 EEAF Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1Br 13602395 YKCSQWGFBLBGKI-UHFFFAOYSA-N 332.179 2.129 0 1 EEAF Oc1ccc(CC[C@@H]2C[C@H](O)[C@@H](O)[C@H](c3ccc(O)cc3)O2)cc1 14922134 RBJGEWFAPDFFEA-HCXYKTFWSA-N 330.380 2.282 0 1 EEAF biogenic O=C1Nc2ccccc2[C@@]12N=c1ccccc1=C1Nc3ccccc3N12 104013599 PJAFZTSHCNBLBS-NRFANRHFSA-N 338.370 2.123 0 3 EEAF COc1cc2c(cc1O)C(=O)C[C@@H](C(=O)NCc1ccccc1)O2 28476126 IXZAETXGXYQBEP-KRWDZBQOSA-N 327.336 2.051 0 1 EEAF O=C1C[C@@H](O)[C@@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]12 27898551 GREJPBKWGASYSC-VDHUWJSZSA-N 332.396 2.350 0 1 EEAF Cc1ccc(C2(CN(C)Cc3c(C)nn(C)c3C)CCNCC2)nc1 65373167 WXRKURFBOWXUNS-UHFFFAOYSA-N 341.503 2.494 0 1 EEAF CC(C)CCN1CC2(CN(Cc3ccccc3)C[C@H]3COCCN32)C1 2356478615 KYHFEOHNPBFNDA-FQEVSTJZSA-N 343.515 2.304 0 1 EEAF COc1cc2c(cc1O)C[C@@H]1c3cc(OC)c(O)cc3CCN1C2=O 2356763450 JSCUGJMNDBGSTI-CQSZACIVSA-N 341.363 2.411 0 1 EEAF Cc1cncn1CCCNC(=S)Nc1ccc2c(c1)OCCN2 96271501 JNEFRFOQBZMTIU-UHFFFAOYSA-N 331.445 2.373 0 1 EEAF Cc1ccc2occ(CNc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1 96940556 OCCYFEKTSKSFHL-UHFFFAOYSA-N 344.392 2.361 0 1 EEAF COc1c(O)cc2c(c1O)C(=O)O[C@@H](C)[C@@H]2Oc1cc(C)oc(=O)c1 31168565 SNJTUAZUAHBUTI-AYVTZFPOSA-N 348.307 2.047 0 1 EEAF biogenic CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nncn1N 587865594 CGUVJXOSYBNMBH-UHFFFAOYSA-N 338.293 2.262 0 1 EEAF NS(=O)(=O)c1cccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 587115620 RZFGWLJAPIEZOP-UHFFFAOYSA-N 342.302 2.291 0 1 EEAF N=c1[nH]c2nc(-c3ccc(F)c(Br)n3)nc-2c(Cl)[nH]1 587156178 XZPAVIXNPGMGAK-UHFFFAOYSA-N 343.547 2.334 0 1 EEAF CCOC(=O)[C@@]1(c2ccc[nH]2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437769 JTFQVDLGWKXOFV-KZULUSFZSA-N 327.336 2.229 0 1 EEAF Cc1ccnc2c1CCN[C@]2(C(=O)O)c1cnn(-c2ccccc2)c1 963073114 PCJWVUKGMXQKBU-LJQANCHMSA-N 334.379 2.050 0 1 EEAF CC(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)cc21 5929696 WXIRGZXYHGQYSS-LLVKDONJSA-N 347.390 2.218 0 1 EEAF COc1ccc(CN2[C@H]3C=C(C)[C@H]([C@@H]2C)[C@H]2C(=O)N(C)C(=O)[C@H]32)cc1 100264353 YMMQFFFORAWLFT-KMJFJPQNSA-N 340.423 2.075 0 1 EEAF O=C1Nc2ccc(C=Cc3ccccc3)cc2C(=O)N2C[C@@H](O)C[C@H]12 2356314399 HIAHNCPXMFOGNU-MAUKXSAKSA-N 334.375 2.385 0 1 EEAF CCC(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O 101068147 RZXVFVRPSNXVEC-UHFFFAOYSA-N 345.399 2.034 0 1 EEAF CC(C)=C(C)CC[C@](O)([C@H](C)O)[C@H]1Cc2cc(C(N)=O)ccc2N1 2356699311 NFTNPFPXZQJRAZ-IRWQIABSSA-N 332.444 2.371 0 1 EEAF CC=C1[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4C[C@@H]([C@H]2CO)N3[C@H]1O 2356720805 KKBTYLUGDNWYDI-NCDIBORCSA-N 340.423 2.351 0 1 EEAF COCCN1C[C@H](C(=O)N2CC=C(c3ccccc3)CC2)CCC1=O 39445086 UFMSVYUNZRJJEV-GOSISDBHSA-N 342.439 2.187 0 1 EEAF CO[C@@H]1C=CC2=CCN3CCC(=O)c4cc5c(cc4[C@]23C1)OCO5 14692296 DOJXTMYNRCGFBG-YJYMSZOUSA-N 325.364 2.414 0 1 EEAF biogenic C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)C)C[C@](C)(O)[C@@H]1CC=C(C)[C@H]21 15059597 SLWRMDVPXSTKON-BESKZLLRSA-N 334.412 2.389 0 1 EEAF biogenic CO[C@H]1CCN(S(=O)(=O)c2cccs2)[C@H]1Cc1ccncc1 96069982 BRZKUZKSEPFRAY-KBPBESRZSA-N 338.454 2.164 0 1 EEAF COC(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cn1 587245789 XUXRANULMKJJHW-UHFFFAOYSA-N 339.311 2.134 0 1 EEAF CCS(=O)(=O)c1ccc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2c1 587252076 VFVYNNOJBMJPBD-UHFFFAOYSA-N 345.380 2.304 0 1 EEAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3CCCC(=O)CC3)[nH]c12 586883963 FMLVKYIQGIJLBJ-NSHDSACASA-N 335.429 2.430 0 1 EEAF CC1=C2C=C3[C@@H](O)C[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3[C@@H](O)[C@@]2(O)OC1=O 14773936 STNYLQGVPSNGGH-FSLKQHLSSA-N 348.439 2.063 0 1 EEAF O=C(NCCc1c[nH]cn1)C1(N2CCCCC2)Cc2ccccc2C1 11663766 QNKFVGVQOKDKFO-UHFFFAOYSA-N 338.455 2.092 0 1 EEAF Cc1oc(=O)n(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 13803968 PBWBNUASFOGURI-UHFFFAOYSA-N 330.365 2.053 0 1 EEAF COc1cc(/C=C/C(=O)NC(=O)c2ccccc2)cc(OC)c1O 1857549317 LEIZXWZLXXADOF-CMDGGOBGSA-N 327.336 2.379 0 1 EEAF COc1ccc([C@H](Cc2ccccc2)[C@@H]2NC(=S)NC2=O)cc1 6411453 IWXWJOMNNDVWMS-HOTGVXAUSA-N 326.421 2.394 0 1 EEAF COCCN1C(=O)N[C@@H](CCc2ccccc2)C(C(=O)OC)=C1C 8682076 LPEUWZZZGFMQKM-HNNXBMFYSA-N 332.400 2.106 0 1 EEAF O=C(NOCCc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 103236705 FXMDDTAUXXXIJW-UHFFFAOYSA-N 342.439 2.218 0 1 EEAF CC(C)=C1Oc2cc(O)c(C(=O)COC(=O)C(C)C)cc2OC1=O 13382577 YXNQCLDPJAHFMQ-UHFFFAOYSA-N 334.324 2.366 0 1 EEAF biogenic Cc1ccc2c(c1)[C@@H](CS(=O)(=O)NCCc1ccccc1)NC2 96020235 OSESBWBXNAPMQN-GOSISDBHSA-N 330.453 2.301 0 3 EEAF O[C@H]1C[C@@H](O)[C@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]12 253685806 MORPIEPGKNRPKN-FPSMNIFISA-N 334.412 2.142 0 1 EEAF CCCOc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]314 253669454 FSCQVYBJKCUYMM-TUYGXSOUSA-N 327.424 2.281 0 1 EEAF O=C(NCCN1CCN(c2ccccc2Cl)CC1)c1ccncc1 653700304 VWYRKMWREYNOQH-UHFFFAOYSA-N 344.846 2.287 0 1 EEAF Cc1cnc2[nH]c(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc2c1 586926399 PDNBMWUGEPLFSS-UHFFFAOYSA-N 343.408 2.485 0 1 EEAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 586908182 QMVYGYPKSYRKOV-VIFPVBQESA-N 346.364 2.390 0 1 EEAF Oc1nc(S)nc2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc12 587124558 BKEPDSSUKGVUQS-UHFFFAOYSA-N 334.323 2.287 0 1 EEAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1CCOC1 587275885 GSRCKUHVEYGZRM-SSDOTTSWSA-N 326.146 2.302 0 1 EEAF CN1C(=O)C[C@@H]2CN[C@H](c3cnc4n3C=CCC4=O)c3cccc1c32 963028669 PDNBFLBRVWXMSA-ZMZPIMSZSA-N 334.379 2.083 0 1 EEAF N=c1nc(N2CCC(N3CC[C@@H](c4ccc(Cl)cc4)C3)CC2)[nH][nH]1 1857609558 LGBZJJUMJJPTBP-CYBMUJFWSA-N 346.866 2.329 0 1 EEAF CC=C[C@@H]1Oc2ccc(OC)cc2N2C(=O)[C@H](C)[C@@H](OCOC)[C@@H]12 1857623271 BSKPAPARTCMSGM-GLZXHMCRSA-N 333.384 2.373 0 1 EEAF 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CO[C@@]12C[C@@]3(CC[C@H]4c5c(cc(O)c(c53)O1)CCN4C)CC[C@H]2O 256414427 FKUISVKPMQSWTN-BXOLDHOESA-N 331.412 2.233 0 1 EEAF COc1ccc(CCN2[C@@H]3[C@H]4[C@@H]5[C@@H]6[C@@H]7C[C@H]([C@@H]3[C@@H]7[C@]52O)[C@H]64)cc1OC 261129317 KULMFBVVFDTVNX-RXQNZWMESA-N 339.435 2.007 0 1 EEAF O=S(=O)(c1ccccc1)N1CCN(c2noc3ccccc23)CC1 299824511 LFFHBDFEHPUUQU-UHFFFAOYSA-N 343.408 2.339 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1 587231190 UECXMGXZTDQSOB-STQMWFEESA-N 341.415 2.476 0 1 EEAF CCOC(=O)Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587924031 ZYOQZCKCVOJNDW-UHFFFAOYSA-N 340.426 2.287 0 1 EEAF COc1cc2c(cc1OC)[C@]1(c3ncccc3C[C@@H]1N)N(C)[C@@H](C)C2 962574268 UBRKPZYSPYYJIE-OPURJYLOSA-N 339.439 2.102 0 1 EEAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2nccn2CC(F)(F)F)N1 962901956 UTYYBOKTEZMTHB-RYUDHWBXSA-N 343.280 2.273 0 1 EEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H](C)N[C@H](C)C3)cc21 5848218 TWDFGXPYRHMQQB-GHMZBOCLSA-N 347.390 2.045 0 1 EEAF CCOC(=O)C[C@H](C)NC(=O)CCCCc1ccc(C(=N)N)cc1 13900152 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1772622164 NXMNRNOXDDGAOM-UHFFFAOYSA-N 335.371 2.365 0 1 EEAF N#CC1(NC(=O)c2ccc(NC(=O)N3Cc4cccnc4C3)cc2)CC1 167169553 NDFUJMVMVORPGU-UHFFFAOYSA-N 347.378 2.415 0 1 EEAF O=C(O)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1 167897014 UTZQGVWPEYNPFS-UHFFFAOYSA-N 348.322 2.038 0 1 EEAF C=c1[nH]n(-c2ccccc2)c(=O)/c1=C\c1ccc(Br)s1 6158567 BOTDHLMDIXRKRN-LCYFTJDESA-N 347.237 2.229 0 1 EEAF O=C(N[C@H]1CC[C@@H](O)CC1)[C@H]1Cc2c(sc3ccccc23)CN1 102997279 MJYWWKXUPZLUQH-LALPHHSUSA-N 330.453 2.335 0 1 EEAF C[C@H](c1ccccc1)c1cc(O)n(-c2cc(-c3nnn[nH]3)ccn2)n1 146867648 NDZPISWATWIEPJ-LLVKDONJSA-N 333.355 2.305 0 1 EEAF CC[C@H]1Oc2ccccc2N(CC(=O)NCCCN(CC)CC)C1=O 4686967 RVRSEWOMQGRCOC-MRXNPFEDSA-N 347.459 2.039 0 1 EEAF CC(C)c1nccc(C[C@@H]2[C@H](NCC(C)(C)C)C[C@H](O)[C@H]2CO)n1 2356305627 RWZDOOVWZPDPNP-NXOAAHMSSA-N 335.492 2.136 0 1 EEAF C[C@H](NC(=O)OC1CCCCC1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101506445 QTOGVWKNZNBBNK-NUNXZZDCSA-N 332.400 2.198 0 3 EEAF 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338.371 2.239 0 1 EEAF Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)NC(C)C)cc1 621431624 ROHAEPVQJVEMAI-KRWDZBQOSA-N 325.412 2.256 0 1 EEAF C[C@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1 299857531 FJHKZEVPGYADEG-XKQJLSEDSA-N 327.428 2.410 0 1 EEAF Cc1c(-c2nc3ncnc(N)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587028972 DEAFNGWPNUFLLG-UHFFFAOYSA-N 339.384 2.085 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1cc(C)nc(N(C)C)n1)[C@@H](C2)C3=O 587428865 LWBHBFNPVCJHTF-YVEFUNNKSA-N 325.368 2.348 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)n[nH]c1C(=O)O)[C@@H](C2)C3=O 587420951 NKMCYKQEYWBDBB-WPPNPWJKSA-N 334.715 2.259 0 1 EEAF O=C1C[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@H]3C2)Oc2c1ccc1c2CCCC1 587527693 VMUYBIAUNBSZFK-QMORNJKRSA-N 341.407 2.352 0 1 EEAF CCN(C(=O)c1cnc(C)nc1NCc1ccco1)C1CCNCC1 1772587691 PRNYIDJCQBLFSE-UHFFFAOYSA-N 343.431 2.204 0 1 EEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H]1OC(=O)[C@@H]3C[C@@H](O)C[C@@H]2[C@@H]13 15165381 GFUMUSWDMNZQDZ-RVYVEVENSA-N 346.379 2.223 0 1 EEAF endogenous,in-man 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28712021 HCMBBXMRRNPAOR-UHFFFAOYSA-N 328.296 2.291 0 1 EEAF COc1cc([C@@H]2COc3cc(O)cc(OC)c3C2=O)cc(O)c1OC 2356576369 XZKNUXAOKJLBNL-NSHDSACASA-N 346.335 2.483 0 1 EEAF CCCCC[C@H](O)C=C[C@H]1[C@H](CCCCC(=O)O)[C@@H](O)C[C@H]1O 2356595210 XHHYJZGDOMKLEE-QUSNUVHPSA-N 328.449 2.487 0 1 EEAF Cc1ccnc(S(=O)(=O)C(F)(F)c2nc3ccccc3o2)n1 73168660 GIMKWFQQDOSHIL-UHFFFAOYSA-N 325.296 2.449 0 1 EEAF CN1[C@H]2C[C@@H](S(C)(=O)=O)[C@H]1Cc1c(-c3ccccc3)ccnc12 1911583714 MBBABLOZXLKLAM-IXDOHACOSA-N 328.437 2.463 0 1 EEAF CN(C)CCNC(=O)c1cc(-c2ccccc2)sc1NC(N)=O 40393487 CVPFIDSMZYYLHW-UHFFFAOYSA-N 332.429 2.197 0 1 EEAF CN1CCN(c2nc(-c3ccccn3)nnc2-c2ccccc2)CC1 95569102 VGIAVTRUVBILOH-UHFFFAOYSA-N 332.411 2.352 0 1 EEAF Cc1ccc(-c2nc(O)c(O)c(C(=O)O)n2)cc1Br 1857642019 WHVBNKJFDMLSTR-UHFFFAOYSA-N 325.118 2.324 0 1 EEAF COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 49172 XTYVHQPRDBFNFI-GANFFNEQSA-N 327.380 2.053 0 1 EEAF C[C@@H](NC(=O)c1cc(C(=O)c2ccc(F)cc2F)c[nH]1)C(C)(C)O 53314282 ICJPMIDREVHXLH-SECBINFHSA-N 336.338 2.413 0 1 EEAF NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCC1 26673358 LNVWOJGOXJFEIJ-QGZVFWFLSA-N 347.459 2.423 0 1 EEAF CCC(=O)O[C@H]1C[C@H]2C[C@H](OC(=O)C=Cc3ccccc3)[C@@H](C1)N2 2356539303 JUPCRQLGNACVMQ-NXOAAHMSSA-N 329.396 2.458 0 1 EEAF CCOC(=O)C(C(=O)OCC)=C(C)c1c(O)c2ccccc2oc1=O 84654734 ILCHEKJAYXKRSZ-UHFFFAOYSA-N 346.335 2.398 0 1 EEAF CC(C)Cc1nc2nc(N3CCCC[C@H]3CCO)ccc2[nH]c1=O 82231568 ZKHABYKKENOFTB-ZDUSSCGKSA-N 330.432 2.258 0 1 EEAF O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NCc3ccco3)CO[C@@H]12 25213515 URTCHLZDIUKCQC-HZMVEIRTSA-N 344.367 2.153 0 1 EEAF biogenic CN(C)CCn1nc2c3c(c(N(C)C)ccc31)C(=O)c1ccncc1-2 95589229 UQBBDOIDFHJVPR-UHFFFAOYSA-N 335.411 2.270 0 1 EEAF CCOC(=O)CCOCCCOCCc1nc2ccc(C)nc2[nH]1 587570755 XUYBMLWZKZOSKT-UHFFFAOYSA-N 335.404 2.185 0 1 EEAF COC(=O)c1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cn1 587051967 HFUKMGLHKNBVFR-SNVBAGLBSA-N 346.774 2.346 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cnn(C)c1)O2 587391616 NYRBNHCSXSWSAZ-DUMMIQTOSA-N 326.400 2.247 0 1 EEAF COc1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2c1 586951502 PHODPVSQZJKQOH-UHFFFAOYSA-N 338.414 2.375 0 1 EEAF CC(=O)NC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755423 OFQPSZVYBDPQDF-RMLUDKJBSA-N 329.213 2.474 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1ccc(C(=O)O)o1)NCC2 962934228 WMMOFTYTPQDORS-SFHVURJKSA-N 328.368 2.089 0 1 EEAF COC(=O)C[C@@H]1CC(=O)N2[C@H](Cc3c[nH]c4ccccc34)CO[C@@H]2C1 169593344 PCDKYCYXQIBMAW-RVZJWNSFSA-N 342.395 2.237 0 1 EEAF O=C(Nc1ccc(F)cc1)[C@@H]1C(=O)N[C@H](CCc2ccccc2)C1=O 169727312 CUJTWRMMQPDVQF-HZPDHXFCSA-N 340.354 2.081 0 1 EEAF CCOC(=O)Cn1ncc2ccc(-c3cc(NC)c(=O)n(C)c3)cc21 1857561648 MVMOQXPEDYFQKZ-UHFFFAOYSA-N 340.383 2.007 0 1 EEAF CCN[C@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 27742726 CMAIJBPTLSJZBL-GFCCVEGCSA-N 346.427 2.166 0 1 EEAF CC1(C)CC[C@H](O)[C@]2(C)[C@H]3Cc4occc4[C@H]4C(=O)O[C@@H](C[C@@]12O)[C@@H]43 38618521 NSXNSJSUAMXKCX-QQUVXZFBSA-N 346.423 2.399 0 1 EEAF COC(=O)[C@H](C)N(C)C(=O)[C@H](C)N1[C@@H](c2ccccc2)COC1(C)C 73330908 PNGBHCLSZOONKR-OFQRWUPVSA-N 348.443 2.204 0 1 EEAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NC[C@H]1CCCO1 82212877 HTOJSXBUAUQOOP-QGZVFWFLSA-N 345.491 2.441 0 1 EEAF CS(=O)(=O)c1ccc(Cn2nc(C(=O)O)c3ccccc32)cc1 140330457 BYZZYWWULJJXBU-UHFFFAOYSA-N 330.365 2.186 0 1 EEAF O=C(C1=CCCC1)N1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 96187138 DBDJHVYCTLULKX-SQNIBIBYSA-N 328.412 2.467 0 1 EEAF COC(=O)c1cc(O)cc(O)c1C(=O)c1c(OC)cc(C)cc1OC 29566980 VUHJUOLEBGXCMK-UHFFFAOYSA-N 346.335 2.441 0 1 EEAF biogenic O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2S(=O)(=O)N1CCCCc1ccncc1 299810499 AWLGVKCXSOFROF-LUKYLMHMSA-N 346.452 2.157 0 1 EEAF OC[C@H](O)[C@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586889230 KBYSXAGAGQDCGD-ZFWWWQNUSA-N 341.392 2.226 0 1 EEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586962054 NYQARXKDNCUMBT-PWCHPLFNSA-N 345.388 2.218 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)N(C)C)N1 587741677 OJYLXCYLQGMHTM-RMLUDKJBSA-N 329.213 2.426 0 1 EEAF COC(=O)c1cc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)nn1C 963108482 PBIVIQRAGMMDEM-YVEFUNNKSA-N 329.375 2.456 0 1 EEAF O=C1[C@H]2[C@H](C(=O)N1c1ccccc1-c1ccccc1)[C@]1(CO)C=C[C@H]2O1 13153934 DLLDGCMBIXQKEZ-NEYJZJCJSA-N 347.370 2.159 0 1 EEAF COc1c(O)cc2c(c1O)[C@@H]1Oc3cc4c(cc3[C@H]1CO2)OCO4 14648557 PCVFSIAOIHIYNK-VPTHRUTESA-N 330.292 2.445 0 1 EEAF endogenous,in-man COc1ccc(-n2cnc3c(NC(C)(C)C(=O)O)ncnc32)cc1 1858678 XSEFNDFMFFGKKF-UHFFFAOYSA-N 327.344 2.099 0 1 EEAF C[C@]1(CO)C(=O)CC[C@]2(C)[C@@H]1CCC1=C[C@H]3C[C@@]12CC[C@]3(O)CO 2356325552 PRQDTDUAOQWUMJ-NRWMGAILSA-N 334.456 2.214 0 1 EEAF Cc1ncc(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)c(C2CC2)n1 101550431 NDLBUZLXSKJVNF-KLZCFVEDSA-N 327.428 2.332 0 1 EEAF c1ccc2c(c1)O[C@@H](N1CCOCC1)c1cnc(N3CCCC3)nc1-2 29206276 TVCVXEMVDZLDMR-GOSISDBHSA-N 338.411 2.467 0 1 EEAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(Cl)c2)C1 61898424 UPAPIKYKUIJNCJ-KRWDZBQOSA-N 338.835 2.345 0 3 EEAF CCOC(=O)[C@]1(C)CCCN(C(=O)c2ccc3snnc3c2)C1 61906778 SMSUTCMACCEGBP-MRXNPFEDSA-N 333.413 2.497 0 3 EEAF CC(=CCO)[C@@H]1Oc2ncc(-c3ccccc3)c(O)c2[C@]1(C)CO 2356785946 YENMWZZHPMKEFC-HKUYNNGSSA-N 327.380 2.404 0 1 EEAF O=C1CCC2=C3C[C@H]4N(CC[C@@]45c4ccccc4N1[C@@H]25)CC3=CCO 2356810796 BBMRPYMJUQZPKZ-HLAWJBBLSA-N 334.419 2.140 0 1 EEAF COc1cc2c(cc1O)[C@H]1Cc3c(cncc3[C@@H](C)O)C(=O)N1CC2 13309746 DOJFCGWUFPORMP-QLJPJBMISA-N 340.379 2.145 0 1 EEAF biogenic COCCN(C)c1nc(N(C)CCCN(C)C)nc2ccsc12 1911580443 JXGGMFRDEOKLHA-UHFFFAOYSA-N 337.493 2.162 0 1 EEAF Cc1c(C(=O)OCc2ccccc2)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] 40879989 QDFDHPPHYHUKKB-UHFFFAOYSA-N 344.754 2.425 0 1 EEAF Cc1ccc(-c2nnn[nH]2)c(NS(=O)(=O)c2ccc(F)cc2)c1 40956107 DXMGSXPFMISAJF-UHFFFAOYSA-N 333.348 2.115 0 1 EEAF C[C@@H]1c2c[nH]nc2-c2cc(F)ccc2N1S(=O)(=O)c1cn(C)cn1 45320214 LUBMYQCZSBEKRB-SECBINFHSA-N 347.375 2.219 0 1 EEAF O=C(O)C(Oc1nn(Cc2cccc(F)c2)c2ccccc12)C(=O)O 49066840 QLOXPCQDXQEXQW-UHFFFAOYSA-N 344.298 2.140 0 1 EEAF O=C(c1ccc[nH]1)N1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95510528 CDRWKLMPUSLKAD-INIZCTEOSA-N 339.439 2.414 0 1 EEAF CCCCC[C@H]1CCCCC[C@H](O)C[C@@H](O)[C@H](O)/C=C/C(=O)O1 95603126 LEEBEEPDVOWSDN-UMYAMVCFSA-N 328.449 2.472 0 3 EEAF COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2OC)cc1O 29037449 YMSMRPNRLZXMMQ-IAGOWNOFSA-N 332.308 2.143 0 1 EEAF biogenic CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)N1CCOCC1 587873166 WKRJUGLKEPFGNQ-ZDUSSCGKSA-N 347.390 2.449 0 1 EEAF CC(C)=CC(=O)OC[C@@](C)(O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 13334902 RPHYICPLIPKTPR-QFBILLFUSA-N 344.363 2.357 0 1 EEAF biogenic O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@@H](O4)[C@@H]3C(=O)O)ccnc2N1 150295832 DFGSAHDXAISKIW-ARFHVFGLSA-N 338.319 2.318 0 1 EEAF O=C(CNCc1ccccc1)Nc1ccc2nc3n(c(=O)c2c1)CCC3 1857759758 OHIUTRCFRLCSIV-UHFFFAOYSA-N 348.406 2.071 0 1 EEAF CCc1nnc(NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)s1 4354081 HEGUAWAJDRYIMZ-LBPRGKRZSA-N 346.460 2.362 0 3 EEAF COC[C@@H](C)NC1=NN=C(c2cccs2)[C@@H](CC(=O)O)S1 6176206 IGGQZDGYZHCHEV-PSASIEDQSA-N 327.431 2.023 0 3 EEAF CC(C)(C)CN1CC2(CN(Cc3ccccc3)C[C@H]3COCCN32)C1 2356289073 PDQUWBKDNJCNAV-IBGZPJMESA-N 343.515 2.304 0 1 EEAF N[S@@](=O)(CCc1ccccc1)=NCC(=O)OCc1ccccc1 100830407 JYRCAVZYIONEOE-QHCPKHFHSA-N 332.425 2.314 0 1 EEAF CC1(C)Oc2c(C=O)cc3c([nH]c4cc(O)ccc43)c2[C@@H](O)[C@@H]1O 13399201 NKDKVISDCZDDBO-WBVHZDCISA-N 327.336 2.405 0 1 EEAF biogenic C[C@H](S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F 40632172 INBUIZKJGWBSQA-ZCFIWIBFSA-N 336.740 2.394 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1C[C@@H](O)[C@@H]1[C@H]3C[C@@H](C[C@H]12)OC3=O 238751032 OEIFXOHVCYVTGK-UCXKJSSGSA-N 346.379 2.223 0 1 EEAF CO[C@@H]1CC[C@@]23c4cc5c(cc4CO[C@]2(OC)CN(C)[C@H]3C1)OCO5 238758787 SYNWETIQJZCYSM-WEZQJLTASA-N 347.411 2.039 0 1 EEAF CCCCOC(=O)c1cc(O)c(=O)c2c(O)c(O)c(OC)cc2c1 142098647 LHGKFYVCNTXZIJ-UHFFFAOYSA-N 334.324 2.282 0 1 EEAF CNC[C@@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587426605 ADZCQTURMXPEMO-BEFAXECRSA-N 325.364 2.263 0 1 EEAF Nc1nc(O)c2nc(-c3cc(Br)c(F)cc3F)[nH]c2n1 587136415 PUXPUVBNXROROR-UHFFFAOYSA-N 342.103 2.348 0 1 EEAF C[C@@H](O)CNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166008913 YAEVCWWABZFWBX-CYBMUJFWSA-N 339.395 2.345 0 1 EEAF O=C(c1csc([C@@H]2COc3ccccc3O2)n1)N1CCOCC1 168621 IZOPLHPCKOSQQN-AWEZNQCLSA-N 332.381 2.128 0 1 EEAF C[C@H](CO)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4CO)[C@@]3(C)CC[C@@]2(C)C=C1 2356649167 BVZWEPLMRFYTFZ-MOSDKIRPSA-N 332.440 2.314 0 1 EEAF COc1cc2nc(N3CCN(C)CC3)nc(NC(C)C)c2cc1OC 36382499 NFZBIGDXVSAQPE-UHFFFAOYSA-N 345.447 2.219 0 1 EEAF CCOC(=O)c1sc(NC(=O)[C@@H](C)N2CCCCC2)nc1C 84653198 ZWBCYRWJIRSFCD-LLVKDONJSA-N 325.434 2.441 0 1 EEAF COC(=O)c1c(C(F)(F)F)nn(Cc2cccs2)c(=O)c1OC 84729492 UFNNZGUFYSHKHK-UHFFFAOYSA-N 348.302 2.167 0 1 EEAF CCn1cc(Br)c(Cc2nc3cccc(C(N)=O)c3[nH]2)n1 586999573 BIDUFVMUUWPYHM-UHFFFAOYSA-N 348.204 2.232 0 1 EEAF C[C@@]1(c2nonc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573461 BXYPRSIYUFSSOX-SJKOYZFVSA-N 339.307 2.234 0 1 EEAF CN1CCN(c2ccc3nc([C@@H](N)c4ccsc4)[nH]c3c2)CC1 587026006 JWVIUEVDXYEVGI-INIZCTEOSA-N 327.457 2.424 0 1 EEAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H]([C@@H]3CCOC3)N12 962649572 XSHDKEVGRTULSE-ACWOFJMJSA-N 326.396 2.411 0 1 EEAF C[C@@H]1CC2(CC[C@@]13NC[C@H]1CC(=O)N(C)c4cccc3c41)OCCO2 963035693 STSWJUSGWYQXOK-ARGWCVDVSA-N 342.439 2.498 0 1 EEAF CCN1CNS(=O)(=O)c2cc(C(=O)Oc3ccc(C)cc3)ccc21 169328563 FZRNIDLQCSQESA-UHFFFAOYSA-N 346.408 2.290 0 1 EEAF NC(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1 420969 NCWJUARKUPXXOO-UHFFFAOYSA-N 339.424 2.160 0 3 EEAF O=C(CN1C[C@@H](c2ccccc2)CC1=O)Nc1ccc2c(c1)OCO2 4928079 UWEHZCGAWXMFCN-AWEZNQCLSA-N 338.363 2.370 0 3 EEAF COc1cccc2c(C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)nn(C)c12 101316638 UYPUNICVVJSXHT-KBPBESRZSA-N 342.443 2.327 0 1 EEAF CCCCCc1ccc(NC(P(=O)(O)O)P(=O)(O)O)cc1 58468672 DWFGLRMUIOBSAE-UHFFFAOYSA-N 337.249 2.470 0 1 EEAF CC(=O)c1nnn(-c2cnn(-c3ccccc3)c(=O)c2C(C)C)c1C 103235333 NGCSLOHAXFLXAB-UHFFFAOYSA-N 337.383 2.448 0 1 EEAF CC(=O)c1cc2c(s1)[C@@H](NC(=O)c1cccnc1)[C@H](O)C(C)(C)O2 28771071 SZHGRRCDPPCRGS-HIFRSBDPSA-N 346.408 2.349 0 1 EEAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCC(=O)O 71758150 XHHYJZGDOMKLEE-IJKMCFRVSA-N 328.449 2.487 0 1 EEAF COc1ccc(-c2oc3cc4c(c(O)c3c(=O)c2O)OCO4)cc1O 14436922 PMVMMASHOBXCTO-UHFFFAOYSA-N 344.275 2.314 0 1 EEAF biogenic C[C@@H](CCOc1ccc2ccc(=O)oc2c1)CC(=O)[C@@H](O)C(C)(C)O 14587272 HBMSEMYDXQVXRB-KPZWWZAWSA-N 348.395 2.289 0 1 EEAF biogenic COc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1 84670090 DLSBJENANWWBDZ-UHFFFAOYSA-N 332.356 2.257 0 1 EEAF O=C(O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccccc1C(F)(F)F 195280435 HEQCVKVKKBIQIR-FIQHERPVSA-N 327.258 2.298 0 1 EEAF Nc1n[nH]c2nc3scc(-c4cc(Cl)ccc4O)n3c(=O)c12 49089121 ROPJURUIGGARTG-UHFFFAOYSA-N 333.760 2.241 0 1 EEAF NS(=O)(=O)c1ccc(CCc2nc3ccnc(Cl)c3[nH]2)cc1 586930292 PXUQFUPRAJFCKF-UHFFFAOYSA-N 336.804 2.044 0 1 EEAF C=C1NC(C)=Cn2nc([C@@]3(C)NCCc4c(C(=O)O)cccc43)cc21 963125915 VDCUCFZDBYZNPF-IBGZPJMESA-N 336.395 2.383 0 1 EEAF Nc1ncc2c(n1)C[C@@H](c1ccco1)C[C@@]21NCCc2ccc(O)cc21 963342818 TWRDHJPNHQCLQA-XCLFUZPHSA-N 348.406 2.477 0 1 EEAF COc1ccc2c(c1)OC[C@](O)(Cc1ccc(OC)c(OC)c1)[C@H]2O 5918422 ZTXKDTJDLGSZEA-RBUKOAKNSA-N 346.379 2.112 0 1 EEAF Cc1[nH]c2ccccc2c(=O)c1C(=O)NC1C[C@@H]2CC[C@H](C1)N2C 13825928 ZKSNSGVNASDNFY-AGUYFDCRSA-N 325.412 2.192 0 1 EEAF O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)[C@H]1CCCCC1=O 103215806 CUADIWHLTSIECY-LBPRGKRZSA-N 330.793 2.303 0 1 EEAF Nc1nc(-c2ccco2)c2cnn(C(=O)NCc3ccccc3)c2n1 29047104 QJFITZRFGJYVRW-UHFFFAOYSA-N 334.339 2.426 0 1 EEAF O=C(N[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@H](O)C1)OCc1ccccc1 27989752 UJZFFYRHOABDGE-IKGGRYGDSA-N 346.427 2.065 0 1 EEAF CC(=CCOc1ccc2ccc(=O)oc2c1)C[C@@H]1C=C(CO)C(=O)O1 2356605013 NYBMIJVQEQCOLI-MRXNPFEDSA-N 342.347 2.352 0 1 EEAF COC(=O)c1cccc2c1=C[C@@H]1c3[nH]c4ccccc4c3CCN1C=2 2356805948 AERDNBBGIYQCAS-LJQANCHMSA-N 330.387 2.086 0 1 EEAF Cc1ccnc(NC(=O)c2ccc3cc4n(c3n2)CCCNC4=O)c1 117698862 JKXDDXLLFULDSB-UHFFFAOYSA-N 335.367 2.126 0 1 EEAF CC(C)C[C@H](CN)CC(=O)OCCOC(=O)C[C@H](CN)CC(C)C 26506033 PJVXNQCXEPSGGY-IYBDPMFKSA-N 344.496 2.095 0 1 EEAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(NO)cc1 31861362 BUYFDAIASOOGAZ-UHFFFAOYSA-N 332.356 2.069 0 1 EEAF CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(C)CCO)n1 82066592 SKVVONBWNLSSIT-GFCCVEGCSA-N 347.419 2.311 0 1 EEAF COc1ccc(-c2ccc(=N)[nH]c2)cc1S(=O)(=O)NC1CCCC1 473113635 JRNRFHNFIMAYCS-UHFFFAOYSA-N 347.440 2.391 0 1 EEAF CN1CCN(c2ccc3nc([C@H](N)c4ccsc4)[nH]c3c2)CC1 587026015 JWVIUEVDXYEVGI-MRXNPFEDSA-N 327.457 2.424 0 1 EEAF CCOCCOCc1nc2cc(I)cnc2[nH]1 587779312 ZIYJVLPAMQCCEK-UHFFFAOYSA-N 347.156 2.116 0 1 EEAF CCOc1cc(CCc2ccc3c(O)nc(O)nc3n2)ccc1O 587559907 OUMHPTLSXBNTBG-UHFFFAOYSA-N 327.340 2.326 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(C(C)(C)C)O2 587410752 ZAFADHUAEIZRTM-MRXNPFEDSA-N 325.430 2.372 0 1 EEAF COC[C@@]1(CC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592895 IFAGPQGFIMQCAL-CRAIPNDOSA-N 344.319 2.214 0 1 EEAF CCCCNS(=O)(=O)c1ccc2[nH]c(/C=C/C=C/C(=O)O)nc2c1 587967677 IHDATORMPBQJRN-YDFGWWAZSA-N 349.412 2.295 0 1 EEAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(=O)c(OC)co1 963637586 SVWUFTCKESMBFU-MLCYQJTMSA-N 331.368 2.289 0 1 EEAF COc1ncccc1-c1nnn(-c2ccccc2Br)n1 12726056 DSESZXZKBYQWIK-UHFFFAOYSA-N 332.161 2.495 0 3 EEAF COc1cc(N)c(Cl)cc1C(=O)OCCN1C[C@H](C)O[C@H](C)C1 13761094 SNYJGSDBCHKBGS-PHIMTYICSA-N 342.823 2.197 0 1 EEAF N[C@H](Cc1cccc(-c2ccccc2)c1CCP(=O)(O)O)C(=O)O 13901598 QPMMAMHOXNKQPX-MRXNPFEDSA-N 349.323 2.028 0 1 EEAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccnnc1)c2=O 1857546611 ZDWVBDZSZBHLRZ-UHFFFAOYSA-N 345.790 2.396 0 1 EEAF CCN1c2ncccc2C(=O)Nc2c(C)cc(N3CC[C@@H](O)C3)nc21 6385190 YFMXPUKJKBLXBS-GFCCVEGCSA-N 339.399 2.080 0 1 EEAF Cc1ncc(C)n2nc(CCc3nc(-c4ccncc4)cn3C)nc12 72315151 HQNLOVNPFMKKMR-UHFFFAOYSA-N 333.399 2.322 0 1 EEAF COc1cc2c3c(c1OC)[C@]1(C=CC(=O)C[C@H]1OC)C[C@@H]3NCC2 14715562 YUAGGKXKMLLGQC-ZBQZNYHESA-N 329.396 2.076 0 1 EEAF biogenic COc1ccc2c3c1O[C@@H]1C=C([C@H](C)O)C[C@H]4[C@@H](C2)N(C)CC[C@]314 40617192 QWIOCLNAHOMHPC-RNPHAICUSA-N 327.424 2.281 0 1 EEAF O=C(Cn1cccc(NCc2ccccc2)c1=O)NCc1ccccn1 43010190 OKNHGHAWKSNIKN-UHFFFAOYSA-N 348.406 2.172 0 1 EEAF C/C=C(\C)C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C/[C@@H]1OC(C)(C)O[C@H]1C 196099588 ZOEOJWDEJWCENT-GZANJHQCSA-N 336.384 2.442 0 1 EEAF Cc1cccc(N2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)n1 96249878 YKCQOSGHTUHVMR-NVXWUHKLSA-N 341.411 2.351 0 1 EEAF O=C(N1C[C@H]2CC[C@H](C2)C1)N1C[C@@H]2CN(c3ccccn3)C[C@@H]2C1 96283267 SUJOVYPQNKHIBN-WNKDZCFJSA-N 326.444 2.302 0 1 EEAF CCC(=O)N1CC[C@H]2[C@@H](C[C@@H](Cn3cccn3)N2c2nccs2)C1 299841694 BTOSKKGPWNFFRD-KKUMJFAQSA-N 345.472 2.246 0 1 EEAF CNC(=O)COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587387438 PXFCKKWPTXNCFB-KRWDZBQOSA-N 340.379 2.409 0 1 EEAF Nc1nccc2nc(-c3cncc(I)c3)[nH]c12 587185433 UDLOSKJTYZIMOV-UHFFFAOYSA-N 337.124 2.207 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COCC(=O)C2)N1 587837034 YXARWWQUYBIGLW-RMLUDKJBSA-N 328.181 2.307 0 1 EEAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(O)nc(O)nc2[nH]1 587147907 CVFKLKKSOGKBID-UHFFFAOYSA-N 344.281 2.110 0 1 EEAF Nc1cc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2cn1 587110845 FDEILWKKQOQLKQ-UHFFFAOYSA-N 335.289 2.489 0 1 EEAF O=S1(=O)CC[C@@]2(C1)c1ccsc1CCN2Cc1cccnc1 962996165 HIKOBVWNSXNJSF-MRXNPFEDSA-N 334.466 2.215 0 1 EEAF CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]12N[C@H]1Cc3c2ccnc3C1=O 963289869 QXTZCYZLFDPPIP-KLRAXDNASA-N 343.427 2.312 0 1 EEAF CCCc1cc(O)n2nc(NCc3cccc(OC)c3OC)nc2n1 15668955 MGSSVCSJVWWSER-UHFFFAOYSA-N 343.387 2.412 0 1 EEAF CN(C)CCOC(=O)Cc1ccc2c(c1)OCc1ccccc1C2=O 169318613 AFEDCHDABCKHFS-UHFFFAOYSA-N 339.391 2.457 0 1 EEAF COc1ccc([C@@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@@H]32)cc1OC 1857612350 STYQXJWXWGSXLK-CABCVRRESA-N 327.340 2.126 0 1 EEAF C[C@]12COC3=C1[C@](C)(CC[C@@H]2O)[C@@]12CC[C@](O)(C(=O)O)[C@@H](C[C@@H]1C3)C2 2356324969 MFUFYVRSGKJJNS-VBHPRKLXSA-N 348.439 2.464 0 1 EEAF COc1ccccc1CO[C@]1(C2=NCCN2)COc2ccccc2O1 26003560 RHDLGBNKNCAKHF-LJQANCHMSA-N 340.379 2.381 0 1 EEAF C[C@H](CO)[C@@H]1[C@H](O)[C@H](O)C2=CC3=C(CO)CCC[C@]3(C)CC[C@]21C 2356583903 MLRHGLBUEINMPQ-SERRVTBLSA-N 336.472 2.172 0 1 EEAF CN/C(=C\[N+](=O)[O-])NCCSCc1cc(C)c(CN(C)C)s1 39341927 BCKYGIJBLHQHDS-NTEUORMPSA-N 344.506 2.236 0 1 EEAF CNC(=O)[C@@H](Oc1ccccc1Br)c1csnn1 34093463 KSHFTKSZWJJLED-JTQLQIEISA-N 328.191 2.167 0 1 EEAF NS(=O)(=O)c1ccc(-c2cc([C@@H]3C[C@H]4CC[C@@H]3N4)cnc2F)cc1 95557091 LSPFRPGGOBZZFJ-INWMFGNUSA-N 347.415 2.143 0 1 EEAF COc1ccccc1CNc1ccc2c(c1)n1ncc(C)c1n[n+]2[O-] 95578733 WRLYBFVBKJJANB-UHFFFAOYSA-N 335.367 2.445 0 1 EEAF O=c1ccn(CCCNC(c2ccccc2)c2ccccc2)c(=O)[nH]1 96283131 URXHLSHBMRGMIQ-UHFFFAOYSA-N 335.407 2.306 0 1 EEAF Cc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c2c1-c1ccccn1 653663536 NWCIEBPJGSLSNN-UHFFFAOYSA-N 343.350 2.331 0 1 EEAF COC(=O)CC1(O)CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587404418 PYYSYBQXADRUGO-UHFFFAOYSA-N 333.384 2.149 0 1 EEAF COc1cc2c3c(c1)OC1(CCC4(CCC(=O)N4)CC1)[C@@H](C2)C3=O 587440694 QBBNAUUWAYEBPE-MDAWKPQNSA-N 327.380 2.404 0 1 EEAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587164726 ZPXMYDJRBLVLMF-HNNXBMFYSA-N 348.403 2.000 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)-c1c(Nc2ccccc2)n[nH]c1CC3 587554852 KPGULXHESNVQLA-UHFFFAOYSA-N 346.350 2.668 0 1 EEAF COC(=O)[C@@H]1CNCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525518 NRPJYCZEPGXDKQ-HNAYVOBHSA-N 329.396 2.052 0 1 EEAF CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C(=O)O)c3)n2n1 1772632225 WCXPUTJZKXHALD-ZDUSSCGKSA-N 326.356 2.277 0 1 EEAF C[C@@](CO)(N=c1nc(-c2ccncc2)[nH]c2cnccc12)C(F)(F)F 1857576487 IJPRRFQGFGXIFM-HNNXBMFYSA-N 349.316 2.234 0 1 EEAF CCOCCc1nnc(NC(=O)C(=O)c2c[nH]c3ccccc23)s1 6800415 XYFLSRMIAVOUKF-UHFFFAOYSA-N 344.396 2.420 0 1 EEAF C[C@@H]1CC=C(Nc2ccc(C(=O)O)cc2)c2ncc(C(=O)O)c(=O)n21 101195913 TYTAEFKUZYEUAI-SECBINFHSA-N 341.323 2.057 0 1 EEAF c1ccc(-c2nnc3c4ccccc4c(N4CCNCC4)nn23)cc1 103269852 FDIVMSREIKIVCW-UHFFFAOYSA-N 330.395 2.354 0 1 EEAF C[C@@H](CCc1ccc(F)cc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27743902 CGZWOSZLLCFYIB-SGTLLEGYSA-N 346.402 2.275 0 1 EEAF C[C@]1(CCC2=CC(=O)OC2)C(=O)CC[C@@]23COC(=O)C2=CCC[C@@H]31 14615253 FKCQZDKJLSFHKP-NIKGAXFTSA-N 330.380 2.499 0 1 EEAF biogenic CN1CCN(Cc2nc3c(oc4ccc(Cl)cc43)c(=O)[nH]2)CC1 84670012 QOHJZKISICESGE-UHFFFAOYSA-N 332.791 2.070 0 1 EEAF CNC1=NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C 84441638 WNMPRXNFNSOTPV-LFYBBSHMSA-N 333.189 2.319 0 1 EEAF Cc1cnc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cn1 145126697 RESGPJGRBGGBAJ-UHFFFAOYSA-N 325.376 2.328 0 1 EEAF CC(C)c1nnc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)[nH]1 146697681 AUXQFFMCGGOSJT-UHFFFAOYSA-N 327.392 2.457 0 1 EEAF CC(C)COc1ccc2c(c1)[C@@]1(CC(C)(C)O2)N=C(N)N(C)C1=O 95601011 KESHGUAKESOZTB-GOSISDBHSA-N 331.416 2.265 0 1 EEAF O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(F)c1 95598189 QZCBPRZSHPNMPY-UHFFFAOYSA-N 345.157 2.135 0 1 EEAF CNC(=O)Oc1cccc(-c2cn3c(=NC(C)=O)cccc3n2C)c1 377841272 HYLFKWSJNHUCHY-UHFFFAOYSA-N 338.367 2.110 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNC(=O)C2)N1 587797449 SOYCPROSZHRQRW-RMLUDKJBSA-N 327.197 2.228 0 1 EEAF CON(C)C(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570855 JPTVOWHCZBWZMO-KSSFIOAISA-N 343.335 2.132 0 1 EEAF COC(=O)c1cc(=O)c2cc([S@@](=O)c3ccccc3)ccc2[nH]1 169314552 RMYLZERLFYNFGU-QHCPKHFHSA-N 327.361 2.481 0 1 EEAF CC1(C)CC(NC(=O)CNc2ccc3c(c2)OCO3)CC(C)(C)N1 1857775364 VKOUNJXYPNTAPO-UHFFFAOYSA-N 333.432 2.253 0 1 EEAF Cc1nn(C)c2c1C(c1ccccc1)=NCCN2CCCN(C)C 28105451 MRKMKVQVYQNCGO-UHFFFAOYSA-N 325.460 2.338 0 1 EEAF CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C)CC1 20574864 GXXPJAOJLDWTDO-UHFFFAOYSA-N 328.434 2.229 0 1 EEAF CC=C1CO[C@H](O)[C@@H]2[C@@H]1C[C@H]1N[C@@H]2Cc2c1[nH]c1ccc(O)cc21 2356603195 BAVRLOVTOBIXTQ-LAADLNQHSA-N 326.396 2.360 0 1 EEAF N=C1CC[C@H](c2nc3ccccc3c(=O)n2-c2ccccc2C(=O)O)N1 2356765475 UPGHTKNUBRMECH-CQSZACIVSA-N 348.362 2.486 0 1 EEAF C[C@]1(CO)[C@@H]2CC[C@@]34C=C[C@@](CO)(CC[C@@H]3[C@@]23CC[C@@]1(O)OC3)C4 2356799216 UDLYZSYTTZQPRJ-ZYRLFZHTSA-N 334.456 2.229 0 1 EEAF COc1ccc(Cc2cnc3nc(N)nc(N)c3c2C)cc1OC 39650490 IQMGEPLMTDFBCM-UHFFFAOYSA-N 325.372 2.106 0 1 EEAF CCCn1c(=O)c(NCC2CC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82209709 URDAWWADGNIKDB-OAHLLOKOSA-N 340.427 2.257 0 1 EEAF C[C@H]1C(C(N)=O)=C2C(OCC(=O)O)=CC=CN2/C1=C\c1ccccc1 40701127 CBYRULZDLPFYPK-XTCQQWIJSA-N 338.363 2.231 0 1 EEAF Oc1ccc(CC[C@H]2CC[C@H](O)[C@@](O)(c3ccc(O)cc3)O2)cc1 95910615 MJXQJVSQSNSYPR-GBESFXJTSA-N 330.380 2.416 0 1 EEAF biogenic,in-vitro COc1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](S)[C@H]3S)[C@@H]2C1=O 299880164 LUMFAWHJRRAZQX-ZXNRBLBOSA-N 335.450 2.047 0 1 EEAF O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586891801 QMGWTMQJLZZFSV-KGLIPLIRSA-N 330.365 2.193 0 1 EEAF CCOC(=O)[C@](C)(Cc1ccc(O)cn1)NC(=O)c1ccccc1 12946765 UZJIEETVKCAVMW-SFHVURJKSA-N 328.368 2.082 0 1 EEAF CC(C)=CC(=O)O[C@](C)(CO)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 13334911 AEOWACICBRVUEL-QFBILLFUSA-N 344.363 2.357 0 1 EEAF biogenic CCOC(=O)[C@H]1C(C)=NC(=S)N[C@@H]1c1cccc(OC(C)=O)c1 169720096 VBPBSTUXEJBMGZ-UONOGXRCSA-N 334.397 2.181 0 1 EEAF CC1CCC2(CC1)NC(N)=NC(=N)N2OCCCCCCCCO 101734849 DKFYIVLBVMUIOD-UHFFFAOYSA-N 339.484 2.312 0 1 EEAF CN(CCO)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12 113651598 ZZYBGQRSHINVII-UHFFFAOYSA-N 345.790 2.064 0 1 EEAF Cn1ccnc1CN1C[C@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356474366 OTWCIWAXZDYGBI-SWLSCSKDSA-N 347.369 2.175 0 1 EEAF Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1 95554854 NEXCQDVISDLHJA-UHFFFAOYSA-N 342.366 2.218 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncnn2C)N1 587759363 KMEZPJSNIWMHQZ-JVXZTZIISA-N 325.185 2.340 0 1 EEAF CCCc1c(O)ccc2c1O[C@@H](CCCNS(C)(=O)=O)CC2=O 587482916 FHJSHFYCEYGAMO-NSHDSACASA-N 341.429 2.008 0 1 EEAF COc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N)n1 587511314 OXIJAWWVTCDBKY-HNNXBMFYSA-N 325.368 2.653 0 1 EEAF O=S(=O)(c1ncccc1-c1nc2c(O)nccc2[nH]1)C(F)(F)F 587127590 YFFXCENXICUAKL-UHFFFAOYSA-N 344.274 2.019 0 1 EEAF CCOC(=O)C[C@@]1(c2ccco2)N[C@H](C(=O)O)Cc2cccc(F)c21 962897962 DOBHUNQCKBRPEZ-UGSOOPFHSA-N 347.342 2.214 0 1 EEAF O=C(O)CC[C@@H](C[P@@](=O)(O)Cc1cc(F)cc(F)c1)C(=O)O 13470273 LKGPZJOMEHGIRJ-VIFPVBQESA-N 336.227 2.301 0 1 EEAF COc1nnc(-c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)o1 13755834 QWPCAYGNTJEVIG-UHFFFAOYSA-N 342.332 2.122 0 1 EEAF COCCOC(=O)[C@@H]1C(C)=Nc2nc(C)nn2[C@H]1c1ccc(F)cc1 169686641 KWIXIUXLARHTGY-CABCVRRESA-N 346.362 2.227 0 1 EEAF O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1Cc2c(sc3ccccc23)CN1 103001094 MJYWWKXUPZLUQH-TYNCELHUSA-N 330.453 2.335 0 1 EEAF COc1ccc(CN(C)c2ccc3nc(N)nc(N)c3c2)c(OC)c1 3814864 QABCVDFLEMLVBN-UHFFFAOYSA-N 339.399 2.448 0 1 EEAF Cc1ccc2c(c1)N(CCC(=O)NCCCOC(C)C)C(=O)[C@H](C)O2 3907310 YTVAHKXWZFSUCL-HNNXBMFYSA-N 348.443 2.430 0 3 EEAF COC[C@H](C)NC1=NN=C(c2cccs2)[C@@H](CC(=O)O)S1 6175438 IGGQZDGYZHCHEV-WCBMZHEXSA-N 327.431 2.023 0 3 EEAF COc1ccc2sc(C(=O)Nn3cnnn3)c(OC(C)C)c2c1 27768345 BIYNRNXQIDGGRQ-UHFFFAOYSA-N 333.373 2.068 0 1 EEAF O=C(O)c1c(O)cc2c(c1O)[C@@H](O)O[C@@H](CCCCCCCO)C2 103239329 XYOMNNRURKEWJB-GTNSWQLSSA-N 340.372 2.061 0 1 EEAF O[C@H](CCc1ccc(I)cc1)Cn1ccnc1 28648049 XAICPDJBSSNBIF-CYBMUJFWSA-N 342.180 2.481 0 1 EEAF CCOC(=O)[C@@H]1CN(C)[C@@H](C)[C@H](c2ccccc2)[C@H]1C(=O)OCC 28464665 PLIBPCZWAZTVBS-SVGFKBNWSA-N 333.428 2.463 0 1 EEAF CC(=O)NC[C@H]1CN(c2ccc(C3=CCOCC3)c(F)c2)C(=O)O1 27415934 OIHSIBMHBVXVJL-AWEZNQCLSA-N 334.347 2.091 0 1 EEAF O=C1c2nc3cc(-c4ccco4)nn3c(O)c2CN1Cc1ccccn1 29128303 KRJUXMMSUPZHBO-UHFFFAOYSA-N 347.334 2.246 0 1 EEAF CCOC(=O)Cn1cnc2c(SCc3ccccc3)nc(O)nc21 28111127 HKRQQJPFDYSNQJ-UHFFFAOYSA-N 344.396 2.387 0 1 EEAF COc1ccc2c(c1OC)=CN(C)[C@H]1C=2C=Cc2cc3c(cc21)OCO3 2356839339 LTMDWKQTBQCVRF-FQEVSTJZSA-N 349.386 2.035 0 1 EEAF COc1ccc2nc(C)cc(N3C[C@H](CNC(C)=O)OC3=O)c2c1 72118998 HNPXSSMCCCYUCC-ZDUSSCGKSA-N 329.356 2.013 0 1 EEAF CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)nc2)CC1 71295192 HGMKONUWLRPGDN-UHFFFAOYSA-N 330.476 2.234 0 1 EEAF Cn1cnnc1Sc1ccc(N)c(C(=O)Nc2ccccn2)c1 40833923 TYXKKHYHRXJCGS-UHFFFAOYSA-N 326.385 2.196 0 1 EEAF CCOC(=O)C[C@H](C)Nc1nc(N2C[C@H](C)O[C@H](C)C2)ncc1C 82203619 NUGVJWFLHIMKTC-MELADBBJSA-N 336.436 2.152 0 1 EEAF CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3nccn3C)C2)O1 96018802 SSCXWLZMYJZVQF-QAPCUYQASA-N 335.448 2.277 0 3 EEAF COc1ccc(CN2c3ccccc3C(=O)CS2(=O)=O)cc1OC 96021170 ODOUVKXNSVFORR-UHFFFAOYSA-N 347.392 2.237 0 3 EEAF Cc1ccc(S[C@@H]2C[C@H](n3cc(C)c(O)nc3=O)O[C@H]2CO)cc1 253848512 ADXWQPFQSDKRMV-RRFJBIMHSA-N 348.424 2.006 0 1 EEAF C[C@H]1CC(=O)N([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O 653840701 NIXPNZQHWHBWHF-IUCAKERBSA-N 328.290 2.427 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(C(=O)O)cccc21 587400338 MYIORHFGBNWTEI-SFHVURJKSA-N 338.319 2.088 0 1 EEAF COc1cc2c(cc1OC)[C@@](C)(c1cc(CO)on1)N(C)[C@H](C)C2 962625419 DWWXZYDACJQHGW-ZMZPIMSZSA-N 332.400 2.324 0 1 EEAF CNC(=O)c1cccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)c1 225939253 IOCMNXRIFNSUHI-UHFFFAOYSA-N 336.351 2.207 0 1 EEAF NCC(=O)Nc1ccccc1S[C@H](CC(=O)O)c1cccnc1 13589259 BXELJEKZSJRZPT-CQSZACIVSA-N 331.397 2.287 0 1 EEAF NS(=O)(=O)c1cc2cc(CN3CCSCC3)sc2s1 13822154 PJAPCXYMSCUGLK-UHFFFAOYSA-N 334.513 2.159 0 1 EEAF O=C(O)CCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1 1502834 DVWZPNUPHODCNV-UHFFFAOYSA-N 335.385 2.369 0 1 EEAF CCn1ncc2c1CCCN([C@H]1[C@H]3CC4C[C@@H]1C[C@@](O)(C4)C3)C2=O 101668605 SDTVTFWVSFBYNT-FSBFCTOZSA-N 329.444 2.231 0 1 EEAF CC[C@H]1CN2CCc3cc4c(cc3[C@@H]2C[C@]12CNC(=O)O2)OCO4 29222099 SMPLEHVDNHKMBQ-YEWDVWPNSA-N 330.384 2.223 0 1 EEAF O=C(O)C1=CS[C@@H]2/C(=C\c3cc4oc5c(n4n3)CCCC5)C(=O)N12 29130347 WBVGDYUBKRMKNU-HMZQOCAUSA-N 343.364 2.031 0 1 EEAF COC(=O)[C@@H](Cc1cccc(C(F)(F)F)c1)NC(=O)n1ccnc1 28756530 DEOABVYNBBHLPY-GFCCVEGCSA-N 341.289 2.244 0 1 EEAF CCCCNC(=O)[C@]1(C)CCN1C(=O)c1cccc(OC(C)=O)c1C 61906636 UYTDSYKGURHRBU-IBGZPJMESA-N 346.427 2.441 0 3 EEAF CC(C)=CCOc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1 38243864 QRQGRICUEXEWHL-JLHYYAGUSA-N 337.441 2.249 0 1 EEAF Cc1cc(C)nc(NC(=S)N2CCN(c3nncs3)CC2)c1 95570643 AOOHULVVHBRXTA-UHFFFAOYSA-N 334.474 2.069 0 1 EEAF Cc1noc(C)c1CN1CC[C@H]2[C@@H]1CCC(=O)N2CC1CCOCC1 96064694 FNGIKFJLPGWPAB-ROUUACIJSA-N 347.459 2.283 0 1 EEAF COc1cccc(CNC(=O)c2nc3cccc(F)c3c(=O)[nH]2)c1 149022119 VPGPVHGVMYSIGU-UHFFFAOYSA-N 327.315 2.001 0 1 EEAF CC1(C)[C@H]2CC[C@@]34C[C@@](C)([C@@H](CO)O3)[C@H](O)C[C@H]4[C@]2(C)CC[C@H]1O 238769529 VZEWPRRAMBSLHN-ZMFRAZPKSA-N 338.488 2.491 0 1 EEAF Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C=O)cc1 96907237 GTTPQLDOSXMLFW-UHFFFAOYSA-N 341.392 2.308 0 1 EEAF Cc1ccc(CN(C)C(=O)[C@@H]2NNC(=O)[C@H]3CCCC[C@H]32)c(C)c1 618014205 JLSKKBLGCHHLMN-IXDOHACOSA-N 329.444 2.071 0 1 EEAF CN(C)C(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574755 YHRWETFJZYOTCQ-RDTXWAMCSA-N 327.336 2.201 0 1 EEAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)NCc1ccco1 587650274 IGXHAIGRUHYYFZ-UHFFFAOYSA-N 332.381 2.403 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@@H](CN(C)C(=O)OC(C)(C)C)NCC2 962933210 SORGCYSPBLCMRX-MRXNPFEDSA-N 347.459 2.442 0 1 EEAF CN(CCc1ccc(C2CC2)cc1)C1CCN(c2nc(N)n[nH]2)CC1 1772645947 AGFTURTXLJUQAU-UHFFFAOYSA-N 340.475 2.408 0 1 EEAF C[C@@H]1CN(CCC(=O)NCCc2cccnc2)Cc2ccccc2O1 12034486 REELUDSAEMGFOW-MRXNPFEDSA-N 339.439 2.414 0 1 EEAF Nc1cccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)[nH]n2)c1 13538186 GKYWYTPELQGBKI-UHFFFAOYSA-N 329.385 2.050 0 1 EEAF Cc1ccc2c(c1)C(O)=C(C(=O)Nc1ccccc1)N(C)S2(=O)=O 13605417 YVYCSCWRUQZVAW-UHFFFAOYSA-N 344.392 2.494 0 1 EEAF C=[S@@](=O)(NC)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 169725017 MBTYZIYXBKABHQ-QHCPKHFHSA-N 327.405 2.364 0 1 EEAF CC(C)(C)c1ccc(OCC(N)=O)c(CN2C[C@H]3C[C@@H](O)C[C@H]3C2)c1 1857592177 SHQGJJIIYFADFE-XOIINTDNSA-N 346.471 2.051 0 1 EEAF OCCNc1nc(C2CC2)nc2c1nnn2Cc1ccccc1Cl 4355893 OMINQJFLCUSJRS-UHFFFAOYSA-N 344.806 2.205 0 3 EEAF Cc1ccc(C(=O)NCCOCCC(=O)Nc2ccccc2N)cc1 117586658 YNJDATDYUSDDAW-UHFFFAOYSA-N 341.411 2.352 0 1 EEAF COc1ccc(CCc2n[nH]c(=O)n2-c2cccc(OC)c2)cc1 103174515 VMDRUUSJFVKXNV-UHFFFAOYSA-N 325.368 2.363 0 1 EEAF CCc1cc(OC)c(O)c(C(=O)NC[C@@H]2CCCN2CC)c1OC 34343072 WTKIGCPVTZEDQY-ZDUSSCGKSA-N 336.432 2.186 0 1 EEAF CCCCC(=O)Nc1ccc(N2CCC(C(N)=O)CC2)c(C(=O)O)c1 46053413 WAXKUIYJOMZCDV-UHFFFAOYSA-N 347.415 2.215 0 1 EEAF O=C(c1ccc[nH]1)N1CCO[C@H]2C[C@@H](COCc3ccccn3)C[C@@H]21 96082934 AEHRYVXKBKAIOF-WBAXXEDZSA-N 341.411 2.246 0 1 EEAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(C(N)=O)cc2[nH]1 586922480 OVCNKVKWWRRNPN-UHFFFAOYSA-N 329.381 2.122 0 1 EEAF CC(=O)c1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c1 586945196 BETWZTFRLQJYPH-UHFFFAOYSA-N 347.396 2.383 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(c1cc(C(=O)O)n(C)c1)[C@@H](C2)C3=O 587431455 OUXXOXLVGIFPFJ-KPZWWZAWSA-N 327.336 2.395 0 1 EEAF COC(=O)c1cc(Br)c2nc(-c3ncc(N)cn3)[nH]c2c1 587252907 SHVWALLXQJANDY-UHFFFAOYSA-N 348.160 2.151 0 1 EEAF COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc1 587435713 IOFSJUITEHDCCX-SJKOYZFVSA-N 325.320 2.366 0 1 EEAF Cc1cc2c(cc1O)[C@@H](c1cccc3cnn(C)c13)N[C@H](C(=O)O)C2 963513122 YSYOIPWIWFXTOP-DOTOQJQBSA-N 337.379 2.276 0 1 EEAF CCOC(=O)CC[C@]1(C2CC2)NCCc2ccc(C(=O)N(C)C)cc21 962934801 JYZGSQSZIGLSPZ-HXUWFJFHSA-N 344.455 2.483 0 1 EEAF O=C(NC1CC1)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O 169710925 QTCGYXMSVKHQIV-UHFFFAOYSA-N 335.363 2.043 0 1 EEAF OC[C@H](NCc1ccnc(-c2ccc(C(F)(F)F)cn2)n1)C1CC1 204425490 KMJFWNDBYHXHCF-AWEZNQCLSA-N 338.333 2.418 0 1 EEAF CC[C@@H](C)NC(=O)[C@]1(C)CCC(=O)N1Cc1ccc2c(c1)OCO2 427062 GSASTSAQZDWNAG-XIKOKIGWSA-N 332.400 2.211 0 1 EEAF CCCCNC(=O)CCCCCn1c(=O)[nH]c2ccsc2c1=O 2601723 XEEZWKQYRHMOLP-UHFFFAOYSA-N 337.445 2.228 0 1 EEAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1c(O)nc3ccccc3c1O)C2 100759211 QPDWXLFUGFTREK-VXGBXAGGSA-N 327.384 2.001 0 1 EEAF COc1ccccc1CNC(=O)C1=NN(C)[C@@H]2[C@H]3[C@@H](C[C@@H]12)C3(C)C 103234988 BFQCYACBPDLSOS-SHFYGJNESA-N 327.428 2.274 0 1 EEAF CNC(=O)[C@@H](CO)NCc1ccc(OCc2ccc(Cl)cc2)cc1 27648010 OOVFFBZJODDLDL-QGZVFWFLSA-N 348.830 2.116 0 1 EEAF C[C@]12CC(=O)c3occc3[C@@H]1CC[C@@]13C[C@](O)(CO)[C@@](O)(CC[C@H]12)C3 2356424628 YDESRUMIEMCEJF-JTMDSKPISA-N 346.423 2.394 0 1 EEAF CN1c2cccnc2CN(C(=O)Nc2cccc(F)c2)CC[C@@H]1CO 2356428634 RUQBXNRRAVVPHM-OAHLLOKOSA-N 344.390 2.456 0 1 EEAF Fc1cnccc1CN1C[C@H](F)[C@@H](OCc2nc3cccnc3[nH]2)C1 2356731005 SIQYJMQLFHFJJO-ZFWWWQNUSA-N 345.353 2.231 0 1 EEAF O=c1sc(=Nc2ccc(Br)cc2)n2n1CCCC2 2356862155 UXHCYSLUHBOEGI-UHFFFAOYSA-N 326.219 2.500 0 1 EEAF CN1O[C@@](C)(CC(=O)NCc2cccc(O)c2)N=C1c1ccccc1 74373732 NLMHWFICUJNDME-IBGZPJMESA-N 339.395 2.439 0 3 EEAF COc1ccc(CN2CCc3cc(OC)c(O)cc3[C@H]2CO)cc1O 15273885 KASWWLAVGKFTQB-OAHLLOKOSA-N 345.395 2.207 0 1 EEAF biogenic CCC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)S(=O)(=O)O 15257138 YJMGVBJYAHWWPU-ZDUSSCGKSA-N 330.402 2.349 0 1 EEAF biogenic COc1cc([C@@H](OC)[C@@H](C)OC(C)=O)cc(OC)c1OC(C)=O 14638087 VRSKRDHLNTZRBI-PSLIRLAXSA-N 326.345 2.268 0 1 EEAF biogenic CC(C)CNC(=O)C(C)(C)n1cc(NC(=O)c2cccnc2)cn1 74387736 YEAUYBBIUYZZHQ-UHFFFAOYSA-N 329.404 2.038 0 3 EEAF CC[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(C(C)C)c2=O)N1 82224329 PJYUVCQPLVZKCD-ZDUSSCGKSA-N 344.415 2.113 0 1 EEAF CCN(C)c1ncc(C(=O)NCCOC)c(-c2ccc(F)cc2)n1 82141677 MPPWJOVABHXRBK-UHFFFAOYSA-N 332.379 2.115 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1S(C)(=O)=O)[C@@H](C2)C3=O 587449752 RHLZRBYUJLJVJJ-QEORTHHSSA-N 336.409 2.169 0 1 EEAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(C(=N)N)cc3[nH]1)C2 587246210 DWCYJCORIWWDJB-IBGZPJMESA-N 335.411 2.198 0 1 EEAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cnnc(O)c4[nH]3)cc2N1 587126132 VRJHEGVFCMNUNB-XRGYYRRGSA-N 339.281 2.230 0 1 EEAF CSc1ccc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1 587203598 MAUMTUWAJWRSLX-ZDUSSCGKSA-N 334.445 2.364 0 1 EEAF COc1cc(OC)c2[nH]c(-c3ccc(CC(=O)O)c(N)c3)nc2c1 587250833 ZXYVUMNBFFDKDR-UHFFFAOYSA-N 327.340 2.456 0 1 EEAF CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1ccc2c(O)nc(O)nc2n1 587558965 VOQIEHHFZSOGTL-IAZYJMLFSA-N 344.371 2.016 0 1 EEAF O[C@@H](CCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 13730894 GJHQJZCASPURFX-INIZCTEOSA-N 334.370 2.001 0 1 EEAF Cc1cccc(CN2C[C@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)n1 2356302533 XUZSZPBMXOGATR-HOCLYGCPSA-N 341.390 2.400 0 1 EEAF O[C@@H](CNC[C@H]1COc2ccccc2O1)COCc1cccs1 2638519 DKUJYDJVRJCUMJ-KBPBESRZSA-N 335.425 2.055 0 3 EEAF Cc1ccc([C@H]2[C@H](S(C)(=O)=O)C(=O)C(=O)N2c2ccccc2)cc1 8318802 JUZJREYKSVHBAV-RDJZCZTQSA-N 343.404 2.065 0 1 EEAF CNC(=O)Nc1c(OCCN2CCC2)c(OC)c2occc2c1OC 29398664 PBQQCWRPVKMIQZ-UHFFFAOYSA-N 349.387 2.286 0 1 EEAF CC(C)N1CCC(Oc2ccc(C3=NNC(=O)[C@H]4C[C@@H]34)cc2)CC1 103260404 ODCFXBPEVBNSRH-SJORKVTESA-N 327.428 2.408 0 1 EEAF O=C(O)C[C@@H](c1c[nH]cn1)N(Cc1ncn[nH]1)CC1CCCCC1 28345105 FAAJZKIYLZXCSN-AWEZNQCLSA-N 332.408 2.126 0 1 EEAF O=C1C[C@@]23CCCN4C[C@H]1[C@@]1(c5ccccc5N[C@@]1(C(=O)O)CC2)[C@H]43 2356619840 VMYIEWNUGAYDHM-ZOXOGZHVSA-N 338.407 2.021 0 1 EEAF NC(=O)OC1=C(OC(N)=O)[C@H](c2ccccc2)N[C@H]1c1ccccc1 26379410 YJPVVYVJABRZML-KBPBESRZSA-N 339.351 2.474 0 1 EEAF O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C12CC2)c1ccccc1Cl 36076710 CYFAWMLGPQCVSC-VWUVDNNOSA-N 342.782 2.182 0 1 EEAF COc1ccc(CC(=O)N2CCc3cccc4c3[C@@H]2CNC4=O)cc1 45349680 PIIUYWVRMAZNBP-KRWDZBQOSA-N 336.391 2.107 0 1 EEAF CNS(=O)(=O)c1ccc(NC2C3CC4CC(C3)CC2C4)c(N)c1 328305564 YRMOXVPILRSBDA-UHFFFAOYSA-N 335.473 2.414 0 1 EEAF CCOC(=O)C[C@@H]1SC2=NCCN2[C@]1(O)c1ccc(Cl)cc1 142119564 UATOCMSSFNXZCI-WFASDCNBSA-N 340.832 2.225 0 1 EEAF O=C1NN=C(c2ccc(OCCCN3CCCCC3)cc2)[C@@H]2C[C@@H]12 299863890 QBXAXCCPRGKAHT-IAGOWNOFSA-N 327.428 2.411 0 1 EEAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(F)c(F)c3[nH]2)c1 587142004 IKNKEUHUUPUILD-UHFFFAOYSA-N 327.287 2.295 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccccc1C(=O)O)O2 587408997 SNFIWNJVFLGBPH-GOSISDBHSA-N 341.319 2.221 0 1 EEAF O=C1O/C(=C\c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c2ccccc21 586906775 QQTXFFGHAYBJGR-ZSOIEALJSA-N 342.332 2.478 0 1 EEAF Cc1ccc(S(=O)(=O)N2C[C@@H]([C@H](N)N=O)Oc3ccccc32)cc1 957916658 DMMPHZPSGDLCFS-JKSUJKDBSA-N 347.396 2.003 0 1 EEAF C[C@@H](O)[C@@H](C)NCc1ccnc(-c2ccc(C(F)(F)F)nc2)n1 204408004 HAHDKTWKKZNOKN-NXEZZACHSA-N 326.322 2.416 0 1 EEAF O=C(O)[C@](F)(Cc1cnc2ccccn12)[P@](=O)(O)c1ccccc1 1772573933 SEHFEWHMWBSRFL-INIZCTEOSA-N 348.270 2.223 0 1 EEAF O=[S@@](CCCNC[C@@H](O)COc1ccccc1)C1CCCCC1 169331478 WDOFYVKUULNTKO-MWTRTKDXSA-N 339.501 2.487 0 1 EEAF NC(=O)CCNC(=O)c1ccccc1SC(=O)NC1CCCC1 3633280 ZFUTZZDTLVXLBZ-UHFFFAOYSA-N 335.429 2.036 0 1 EEAF CCOCCCNS(=O)(=O)c1ccc(OCC)c2ncccc12 4563018 HZLGMWXUWMKTJA-UHFFFAOYSA-N 338.429 2.338 0 1 EEAF CCCc1cc(O)n2nc(-c3cc(OC)c(OC)c(OC)c3)nc2n1 8628386 BARMUOXFVSNBMN-UHFFFAOYSA-N 344.371 2.475 0 1 EEAF O=C(NCc1ccccc1)c1c[nH]n2c(=O)cc(-c3ccncc3)nc12 102951739 GVOOEMLKTIRYCO-UHFFFAOYSA-N 345.362 2.015 0 1 EEAF COc1ccc2nc(N3CCNC[C@@H]3COc3cccnc3)oc2c1 114575024 XYSRATNRZNDHDH-CYBMUJFWSA-N 340.383 2.089 0 1 EEAF CC=C1NC(=O)[C@H](Cc2cc(Cl)c(O)c(Cl)c2)N(C)C1=O 2356805889 AEFDYPFFZOCXNS-NSHDSACASA-N 329.183 2.102 0 1 EEAF CC(C)NC(=O)[C@@]1(C)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61930543 PQJHMHJYIJJJJM-LJQANCHMSA-N 339.395 2.066 0 3 EEAF O=C(CN1CCC(c2cccc[n+]2[O-])CC1)Nc1ccccc1F 38149997 JUPMIVCGRSCHEU-UHFFFAOYSA-N 329.375 2.277 0 1 EEAF COc1cc2c3c(c1O)[C@]1(CC[C@H](O)[C@@H](OC)C1)C[C@@H]3N(C)CC2 14687758 KCTHYDYDNKJILM-VODUFIJXSA-N 333.428 2.131 0 1 EEAF biogenic CC(=O)Nc1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)ccn1 261097101 FOUUPGYVOXUBCC-HNNXBMFYSA-N 341.367 2.294 0 1 EEAF Cc1nn(C)c(O)c1C(=O)c1ccc2c(c1)n(C(C)(C)C)c(=O)n2C 299870713 WUJMGWUICKZHII-UHFFFAOYSA-N 342.399 2.074 0 1 EEAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N1CCOCC1)CC2=O 587475251 NNYSOXJDVWTBME-LJQANCHMSA-N 347.411 2.318 0 1 EEAF CS(=O)(=O)/C=C/c1nc2c(Br)cnc(Cl)c2[nH]1 586923790 VWBFZNPIYRBWNL-NSCUHMNNSA-N 336.598 2.389 0 1 EEAF COc1cc2c3c(c1)O[C@](CNC(C)=O)(c1ccccc1)[C@@H](C2)C3=O 587431057 YHQLZJZCYFQKKC-OXJNMPFZSA-N 337.375 2.474 0 1 EEAF C[C@@H]1CC2(CC[C@]13NC[C@H]1CC(=O)N(C)c4cccc3c41)OCCO2 963035696 STSWJUSGWYQXOK-JZKQVHKSSA-N 342.439 2.498 0 1 EEAF CCOC(=O)C[C@]1(c2ccncc2)NCCc2c(C(=O)O)cccc21 963155455 YMAITGPKNGVPRA-LJQANCHMSA-N 340.379 2.122 0 1 EEAF CCOC(=O)CC[C@@]1(C2CC2)NCCc2ccc(C(=O)N(C)C)cc21 962934798 JYZGSQSZIGLSPZ-FQEVSTJZSA-N 344.455 2.483 0 1 EEAF CC(C)n1nc(NC(=O)c2noc3ccccc23)c2c(N)ncnc21 1772576617 JMFHJFKONAPATH-UHFFFAOYSA-N 337.343 2.383 0 1 EEAF COc1cc(NCc2coc3nc(N)nc(N)c23)cc(OC)c1OC 5853464 PQRAIAZIJGMIFB-UHFFFAOYSA-N 345.359 2.025 0 1 EEAF Cc1c(F)c(N2CC[C@H](N)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 13649763 SYRRVFYIEZPLKW-JTQLQIEISA-N 345.374 2.020 0 1 EEAF Nc1c(-c2nc(-c3cccs3)no2)nnn1-c1cccc(CO)c1 1857774195 XRFNGKHRSIZYDD-UHFFFAOYSA-N 340.368 2.120 0 1 EEAF Nc1nc(=O)c2cnn3c2n1CC=C3c1cccc(C(F)(F)F)c1 10790 LYFFMDZFPCZNMS-UHFFFAOYSA-N 333.273 2.097 0 1 EEAF CC[C@H](C)C[C@H](C)C=C[C@@H]1C=C[C@H](O)[C@H]2O[C@@]3(C)OC(=O)[C@]21[C@@H]3O 2356723482 KMJIBJZHUZVXRL-PZOZNGCTSA-N 336.428 2.181 0 1 EEAF CCc1c(CO)[nH]c(=O)c(N(C)C)c1C(=O)c1cc(C)cc(C)c1 28111393 USAJKGCTDSCECL-UHFFFAOYSA-N 328.412 2.343 0 1 EEAF Cc1cccc(Nc2nc(N[C@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 73275240 JZTOUVBEZONDKA-KBPBESRZSA-N 340.431 2.309 0 1 EEAF COc1cccc(NC(=O)Nc2ccc3c(c2)S(=O)(=O)N=C3O)c1 84632387 JXKXEIPOFYVGPT-UHFFFAOYSA-N 347.352 2.346 0 1 EEAF O=C(NCc1ccccc1)[C@H]1c2ccccc2OCC(=O)N1C1CC1 199207306 ZSHMTBXCQBJSQZ-LJQANCHMSA-N 336.391 2.428 0 3 EEAF CN1CCN(C(=O)/C=C/c2cc3c(c(C(F)(F)F)c2)OCO3)CC1 299831450 ZCGZAKYLHDSUTH-NSCUHMNNSA-N 342.317 2.221 0 1 EEAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(N)ncnc2[nH]1 586972025 DBZOFSHCYFPRFK-LBPRGKRZSA-N 342.428 2.046 0 1 EEAF C[C@@H]1CNC(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587591532 CSIWAOVTGHNWQB-DQNAHFDYSA-N 339.347 2.249 0 1 EEAF Cn1ccc(-c2ccnc(-n3ncc4ccc(Cl)cc4c3=O)n2)n1 587652886 MVYIKTGADBWYRA-UHFFFAOYSA-N 338.758 2.230 0 1 EEAF C[C@H]1c2nc3nc(O)nc(O)c3cc2CCN1C(=O)OC(C)(C)C 587557089 GNNNFOAJISLXAU-QMMMGPOBSA-N 332.360 2.290 0 1 EEAF Cn1cnc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1 962982225 WRZNCFSRTXBFBL-RNCFNFMXSA-N 327.718 2.040 0 1 EEAF CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)NCCc2c(C)ccnc21 963094663 ZGIZMCXHSVOZBP-GOSISDBHSA-N 329.400 2.460 0 1 EEAF COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C[C@@H](OC)O[C@@H]1O2 13308650 QKCJGDIUSFKBPI-HHHBFUJPSA-N 344.319 2.125 0 1 EEAF endogenous,in-man O=C(NCc1ccc(F)cc1)[C@H]1CC[C@H](c2ccccn2)NC1=O 209074985 PACMYYQTBCRONV-GDBMZVCRSA-N 327.359 2.104 0 1 EEAF COCCN1C(=O)C(=O)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1 1824871 GQHWBFUTRHTKQP-CABCVRRESA-N 343.404 2.346 0 1 EEAF CCN(CC)[C@H](c1ccc(F)cc1)c1nnnn1C[C@H]1CCCO1 4190686 WZERLXNSIQRQIZ-HZPDHXFCSA-N 333.411 2.422 0 3 EEAF CCNc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 103268195 AQKSYBVVAMIQGO-UHFFFAOYSA-N 328.397 2.078 0 1 EEAF CCCCN(C)CC(=O)Nn1c(S)nnc1-c1ccc(C)cc1 103220741 LYLGVYGRMHJNHS-UHFFFAOYSA-N 333.461 2.344 0 1 EEAF O=C(c1cccnc1)N1C[C@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 2356299053 UJXMIEABBDLNOY-BBRMVZONSA-N 340.358 2.337 0 1 EEAF CCCN=c1nc(SC)[nH]c2c(C=CC(=O)OC(C)(C)C)cnn12 2356868239 WZSVSMADTAEWHK-UHFFFAOYSA-N 349.460 2.445 0 1 EEAF CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)CC/C=C\Cc2ccccc21 36389190 LBRGXKIEUSFACK-LAPPRRJPSA-N 330.380 2.463 0 3 EEAF Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Br)cc21 89469622 LLKFNPUXQZHIAE-UHFFFAOYSA-N 335.205 2.298 0 1 EEAF in-vivo Nc1nccc(-c2cc3c([nH]2)[C@H](CCC(F)(F)F)CNC3=O)n1 40974166 HOLYMSXFIGUWKL-SSDOTTSWSA-N 325.294 2.223 0 1 EEAF CCCCCCNC(=S)Nc1ccc(C(=O)NCC(=O)O)cc1 96928647 XMBIJHXUOYQYGH-UHFFFAOYSA-N 337.445 2.368 0 1 EEAF CCc1cc(C(=O)OC)c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)s1 141917266 CYHGZIVWKOOGOU-RQSQLSILSA-N 331.393 2.409 0 1 EEAF CC(=O)N1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587401034 RZKJTGUDXZSEAR-IBGZPJMESA-N 336.347 2.331 0 1 EEAF CN(C)C(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574750 YHRWETFJZYOTCQ-KBXCAEBGSA-N 327.336 2.201 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccccn1)(C(F)F)NCC2 962926750 VCAGLYMSJYIZLX-GOSISDBHSA-N 331.366 2.438 0 1 EEAF COC(=O)[C@@H]1CCc2occc2[C@]12NCCc1c(C(=O)O)cccc12 963154336 WXEGCWAAHOGUOL-KXBFYZLASA-N 341.363 2.103 0 1 EEAF c1ccc(CNc2nc3nonc3nc2N2CCCCCC2)nc1 12299216 IHHBHASSZXMXFZ-UHFFFAOYSA-N 325.376 2.400 0 1 EEAF Clc1cnc(OCc2cn(C3CCN(CC4CC4)CC3)nn2)nc1 1857550919 MLOXGZLLQUQBPC-UHFFFAOYSA-N 348.838 2.347 0 1 EEAF CC(C)n1cc(C(=O)O)c(=O)c2ccc(N3CCN[C@H](C)C3)cc21 103282251 CTARTTSEHQLPNL-GFCCVEGCSA-N 329.400 2.079 0 1 EEAF CC(C)=CCc1c(O)c(C)c(O)c2c1[C@H]1[C@@]3(C)OC(=O)[C@@]1(O)C[C@H]2O3 2356671572 DJIRCBPBYQGYRJ-HZUDEDTLSA-N 346.379 2.478 0 1 EEAF O=C(N[C@@H]1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1)c1ccco1 6529809 VMUPECMTNJKKBP-OCCSQVGLSA-N 339.351 2.009 0 1 EEAF biogenic C=c1c(C(=O)OC)c(O)/c(=C/c2cccs2)n1-c1ccccc1 33286528 PAZPEFHJLVYXBJ-PTNGSMBKSA-N 325.389 2.270 0 1 EEAF C[C@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)NCc1ccccc1)C(=O)N2 135592275 BJEIAJDDINZWTF-RIFZZMRRSA-N 336.391 2.331 0 1 EEAF CC(C)[C@@H]1COCn2nncc2CC[C@H](Cc2ccccc2)C(=O)N1 95898354 ADLJLGXRUSRGBZ-AEFFLSMTSA-N 342.443 2.198 0 1 EEAF O=Cc1cn(Cc2cc(-c3ccccc3)cnc2N2CCOCC2)nn1 299868276 ZNNIASSOZDDGHX-UHFFFAOYSA-N 349.394 2.038 0 1 EEAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc(C(N)=O)c3[nH]1)C2 587247733 YDUFJWBPFJXAJJ-IBGZPJMESA-N 336.395 2.013 0 1 EEAF CC(=O)N[C@H](Cc1nc2cccc(C(N)=O)c2[nH]1)c1ccc(C)cc1 587216814 NOEUSXMHNPUTMR-MRXNPFEDSA-N 336.395 2.390 0 1 EEAF COc1cc([C@@H]2SCC(=O)N2NC(=O)c2ccccc2)ccc1O 1772582157 RJQFMPXDUISULR-KRWDZBQOSA-N 344.392 2.320 0 1 EEAF O=[S@@](CCCNC[C@H](O)COc1ccccc1)C1CCCCC1 169331480 WDOFYVKUULNTKO-HJPURHCSSA-N 339.501 2.487 0 1 EEAF CCCCNC(=O)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OCO2 201447872 KRQUAZYLYLXQKR-CYBMUJFWSA-N 333.388 2.328 0 3 EEAF CCCc1noc(-c2c(C)nn3c(C4CCNCC4)cc(O)nc23)n1 1857573078 QKOGOESWPZEWOR-UHFFFAOYSA-N 342.403 2.213 0 1 EEAF CS(=O)(=O)c1nc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 1857638062 JCPBHJKONOUFSG-UHFFFAOYSA-N 329.381 2.454 0 1 EEAF Cc1noc(C)c1-c1ccc(-c2nc(=O)c(O)c(C(=O)O)[nH]2)cc1 1857642698 WHYMJPGHRGTZBV-UHFFFAOYSA-N 327.296 2.113 0 1 EEAF CCCN1C(=O)c2cc(C(=O)NCCCOC(C)C)ccc2[C@H]1O 6736935 AEESYGXHIYAEHX-QGZVFWFLSA-N 334.416 2.088 0 1 EEAF CC1(C)CN(C[C@H](O)C(C)(C)C)C(=O)CN(C(=O)c2ccccc2)C1 105847909 ADYPVVAZRKCPRJ-INIZCTEOSA-N 346.471 2.404 0 1 EEAF CN(Cc1ccco1)C(=O)Cn1[nH]cc2c3ccccc3nc-2c1=O 103711191 UNFFFJOCTIJEOL-UHFFFAOYSA-N 336.351 2.081 0 3 EEAF CCc1oc([C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)O)c(C)c(=O)c1C 2356645263 KDBDGPBVVUIYNX-QMABLASFSA-N 338.400 2.209 0 1 EEAF CC(=O)OCC(C)(C)C(=O)[C@H](O)CC=CC=CC(C)(C)[C@H](C)O 2356845112 OBNXFUAUNSQGAC-DZGCQCFKSA-N 326.433 2.415 0 1 EEAF COC[C@H]1CCCN1Cc1ccn(Cc2ccccc2)c(=O)c1O 38692217 NOTGHVUMQAEGIV-QGZVFWFLSA-N 328.412 2.213 0 1 EEAF CC(=O)O[C@@H]1[C@H](OCc2ccccc2)O[C@H](C)[C@]12COC(C)(C)O2 13435765 HRNWKZDPMOLOIP-HALQFCHDSA-N 336.384 2.401 0 1 EEAF biogenic O=S1(=O)C=C(c2cccc(C(F)(F)F)c2)S(=O)(=O)CCC1 220577079 AQCXAGCJFXKCHH-UHFFFAOYSA-N 340.344 2.237 0 1 EEAF CC[C@@H](C)C[C@@H](C)/C=C/[C@@H]1C=C[C@@H](O)[C@@H]2O[C@]3(C)OC(=O)[C@]12[C@H]3O 238785337 KMJIBJZHUZVXRL-FOUMXNLPSA-N 336.428 2.181 0 1 EEAF CCc1cc(Nc2cc(=O)n(CCCC(=O)O)c(=O)[nH]2)ccc1C 13674959 YUCQXFFNNZSPCB-UHFFFAOYSA-N 331.372 2.016 0 1 EEAF COc1ccc2c(OC(C)C)c(C(=O)Nc3nnn[nH]3)ccc2c1 24885 RFDDUHGTDXJHIY-UHFFFAOYSA-N 327.344 2.401 0 1 EEAF CCn1c2c(c(O)nc1=O)[C@H](c1cccc(F)c1)C1=C(O)OCC1=N2 103644789 HUKOOIWFFVGMGZ-LLVKDONJSA-N 343.314 2.126 0 1 EEAF CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)C(=O)Nc1ccc(F)cc1 101691059 HJHDSPBGWYGUTN-OAHLLOKOSA-N 339.326 2.372 0 3 EEAF CCCCC[C@@H]1OC(=O)[C@H](C)C(=O)C[C@H](OC(C)=O)CC[C@H]1O 2356415731 ULYITTZTULSLHI-MEWXFMAXSA-N 328.405 2.160 0 1 EEAF C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCC2)CC1 117379177 USRQMGAPHKQEBJ-LBPRGKRZSA-N 327.428 2.319 0 1 EEAF COc1ccc2cn(C(C)(CO)CO)c3c2c1C(=O)c1ccoc1-3 39158199 XKNMBOBGWZSLTC-UHFFFAOYSA-N 327.336 2.154 0 1 EEAF C[C@@H]1C[C@@H]2Oc3cc4oc(=O)ccc4cc3C(C)(C)C(=O)[C@@H]2[C@@H]1O 15266054 ZRASJWQDWXPKAD-YNHGFMAGSA-N 328.364 2.418 0 1 EEAF biogenic COCCNC(=O)Cc1ccc(-c2noc(C(F)(F)F)n2)cc1 142920447 OLHZABUSLVLNQH-UHFFFAOYSA-N 329.278 2.061 0 1 EEAF CN1C[C@@H](C(=O)NCc2c(F)cc(Cl)cc2Cl)N(C)C1=O 95565706 SBAFGEFJMWOPNA-NSHDSACASA-N 334.178 2.115 0 1 EEAF COc1ccc(CN2CN3Cc4ccccc4[C@@H]3CS2(=O)=O)cc1 96020167 MOZCZDBJGROMEC-SFHVURJKSA-N 344.436 2.355 0 3 EEAF CN(C)S(=O)(=O)Oc1ccc(NC(=O)C2CCCCC2)cc1 653845391 MXTGJWPVBMVDJQ-UHFFFAOYSA-N 326.418 2.391 0 1 EEAF Nc1nccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 586984190 OERZLPJVNLQRCT-SNVBAGLBSA-N 332.205 2.545 0 1 EEAF COC(=O)c1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2n1 587782255 KUIWZUNWQUWHAA-UHFFFAOYSA-N 325.324 2.030 0 1 EEAF CCOC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1cccs1 587564307 PLMZDFBVHFOQDR-UHFFFAOYSA-N 331.353 2.270 0 1 EEAF COC(=O)c1sccc1O[C@H](C)c1ccc2c(O)nc(O)nc2n1 587564040 YBNILBPQVJUJQJ-SSDOTTSWSA-N 347.352 2.424 0 1 EEAF COC[C@]1(CC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587789210 BLZAIIUCZCLPKE-CLAHSXSESA-N 346.196 2.439 0 1 EEAF COc1cccc2cc3c(nc12)[C@]1(CC(=O)C[C@@H](C(=O)O)C1)NCC3 963043764 AESLCYOHFDPZHJ-YJYMSZOUSA-N 340.379 2.038 0 1 EEAF C[C@H](O)[C@@H](C)NCc1ccnc(-c2ccc(C(F)(F)F)nc2)n1 204408032 HAHDKTWKKZNOKN-ZJUUUORDSA-N 326.322 2.416 0 1 EEAF CCN(CC)CCNC(=O)Cn1cccc1C(=O)c1ccccc1 5142196 NIRXPSPXQCMRIJ-UHFFFAOYSA-N 327.428 2.177 0 1 EEAF COC1CCC2(CC1)Cc1ccc(Cl)cc1[C@]21N=C(N)N(C)C1=O 201244419 KDGMQARLBRAYHW-ZTUNLMCQSA-N 347.846 2.454 0 1 EEAF CC1=C2C[C@H](O)C(C)(C)[C@]23O[C@]12CC[C@@H]1C[C@@]2(C[C@H]3O)C[C@@]1(C)O 1857615581 GMWIJULQPGDFAC-LOORLBDPSA-N 334.456 2.307 0 1 EEAF O=S(=O)(NCc1ccccc1)c1ccc2c(c1)CN[C@H](CF)C2 13517560 BYMUUJOFYVSRBW-INIZCTEOSA-N 334.416 2.149 0 1 EEAF COc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H](C)C[C@H]2O)ccc1O 2356358073 WYRGHFKMUBYIDM-XFHKCVFHSA-N 334.412 2.227 0 1 EEAF C[C@@]1(c2cccc(NC(=O)c3cn4ccccc4n3)c2)COCC(N)=N1 117498870 ZWMZTUXDXPWHKA-IBGZPJMESA-N 349.394 2.189 0 1 EEAF COc1ccc(CC(=O)[C@@H](C)C(=O)N2C(=O)OC[C@H]2C(C)C)cc1 2356703356 YQWCOMZJJAFFNM-DOMZBBRYSA-N 333.384 2.446 0 1 EEAF c1ncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)cn1 34836970 MARUNRKQKNXGKR-UHFFFAOYSA-N 339.428 2.148 0 1 EEAF O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Br)cc1 71340274 DYEOESDSRHAVAX-RHYQMDGZSA-N 340.173 2.266 0 1 EEAF CC(=O)NC[C@H]1CN(c2ccc3c(c2F)CCCCC3=O)C(=O)O1 40576786 COMOSWQNYGJYAB-NSHDSACASA-N 334.347 2.196 0 1 EEAF Cn1cc(-c2cnc3nnn(Cc4csc5ncccc45)c3n2)cn1 149545968 QCFPXWYXQFVXLS-UHFFFAOYSA-N 348.395 2.280 0 1 EEAF O=C(O)c1cccnc1SCc1nc2ccc(CCO)cc2[nH]1 586968490 OYVZGTIEDCUCMM-UHFFFAOYSA-N 329.381 2.483 0 1 EEAF COC1=C[C@]2(C[C@@H](C(=O)O)C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443404 QFGVCSDYYTWAEO-PCJJGOFDSA-N 330.336 2.206 0 1 EEAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)o1 586931522 WPXKRXYLBNBJAF-UHFFFAOYSA-N 345.302 2.491 0 1 EEAF COc1cc2c(cc1OC)[C@](C)(c1nn(C)cc1O)N(C)[C@H](C)C2 962573323 RCXXNZDYUKPLAC-ADLMAVQZSA-N 331.416 2.283 0 1 EEAF COc1ccc2c(c1)C[C@@]1(CO2)N[C@H](C(=O)O)Cc2cccc(F)c21 962898900 MUXSZVDHEOXTFS-KXBFYZLASA-N 343.354 2.264 0 1 EEAF C[C@H](CO)Nc1nc(Nc2ccc(F)c(F)c2)nc2c1cnn2C 1772583676 CCILGSVREHQCDN-MRVPVSSYSA-N 334.330 2.178 0 1 EEAF CC[C@@H](c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)n1ccnn1 13863007 DOGKXLVAJXAQLO-QMMMGPOBSA-N 340.170 2.114 0 1 EEAF O=C1C[C@H](O)[C@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]12 169359153 GREJPBKWGASYSC-DKIMLUQUSA-N 332.396 2.350 0 1 EEAF CC1CCC(CCN2C(=N)NC[C@@H]2CCCCN2CCNC2=N)CC1 1857638646 DZZGQCPSLORAPK-JCYILVPMSA-N 348.539 2.422 0 1 EEAF CC(C)c1ccn2[nH]cnc(=N[C@H]3CC[C@H](N4CCOCC4)CC3)c12 1857656582 AEPGROUWXONGID-WKILWMFISA-N 343.475 2.330 0 1 EEAF COC(=O)c1ccccc1Oc1c(F)c(F)nc(NCCO)c1F 4320663 YKXNKPGKXGPTBS-UHFFFAOYSA-N 342.273 2.482 0 1 EEAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)N(N)C(=O)C[C@@H]12 6482699 KAGWXCAUSLFFEO-JEWRLFTDSA-N 328.412 2.390 0 1 EEAF CCc1cnn2c(O)cc(Cn3nc(C)c4ccccc4c3=O)nc12 103525011 UGAWAQZEIALROW-UHFFFAOYSA-N 335.367 2.064 0 1 EEAF COCCN1CCn2cc(C(=O)O[C@@H](C)C(C)(C)C)c(C)c2C1=O 28569667 PTOXHVBQNRVWOV-ZDUSSCGKSA-N 336.432 2.490 0 1 EEAF COc1ccc([C@@H]2C[C@H](O)[C@H](O)[C@H]2NCc2cccc(OC)c2)cc1 2356415306 GZYWGPFFGYSCLN-MUGJNUQGSA-N 343.423 2.071 0 1 EEAF CC(=CCO)C(=O)O[C@@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C 2356421059 XQXMDWBFCPASSF-MRXNPFEDSA-N 344.363 2.357 0 1 EEAF COCc1cc(C[C@@H]2CC[C@@H](O)[C@H](CNC3CCCCC3)O2)no1 2356509934 HLWZPTFDGGLTTF-JQHSSLGASA-N 338.448 2.194 0 1 EEAF CCC=CCC=C[C@H]1CC(=O)NCCCN(C(C)=O)CCCCN1 2356590653 XNQNGMLBSCADES-SFHVURJKSA-N 335.492 2.396 0 1 EEAF COc1cc([C@H]2Oc3c(OC)cc(CCO)cc3[C@@H]2CO)ccc1O 2356754919 TXHGJKUVNPUSLN-KBXCAEBGSA-N 346.379 2.154 0 1 EEAF O=C(N[C@H]1CN2CCC1CC2)C1(O)c2ccccc2-c2ccccc21 38607980 PSFULERNVNPNAD-IBGZPJMESA-N 334.419 2.113 0 1 EEAF CCCCc1c(C(=O)NC(=N)N)cnn1-c1cccc2ncccc12 34005960 NGHMKLRBKIPQRY-UHFFFAOYSA-N 336.399 2.386 0 1 EEAF NC(=O)c1ccc(Nc2nccn3c(Br)cnc23)cc1 74387819 KQOAIJGKUPHUHW-UHFFFAOYSA-N 332.161 2.334 0 3 EEAF COc1cc(-c2nc(CN3CCN(C)CC3)co2)cc(OC)c1OC 72182106 BKFCRGJNEPWZQS-UHFFFAOYSA-N 347.415 2.115 0 1 EEAF COc1cc2c(cc1O)CCn1c-2cc2c([C@@H](C)O)cncc2c1=O 13309765 XEPDHMSLULWCBQ-SNVBAGLBSA-N 338.363 2.387 0 1 EEAF biogenic COC(=O)[C@@H](CCc1ccccc1)c1nsnc1N1CCOCC1 49110242 MSQQESHDSMXBKQ-AWEZNQCLSA-N 347.440 2.264 0 1 EEAF CCOC(=O)C(C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400216 PDQORQLXZRIVCX-GOSISDBHSA-N 349.383 2.044 0 1 EEAF Nc1ccc(-c2ccc3nc([C@H]4CSCC(=O)N4)[nH]c3c2)cc1N 587044607 ZYQXJGQKNGLABQ-OAHLLOKOSA-N 339.424 2.298 0 1 EEAF Cc1c(Cl)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)nn1C 587651922 RSWAIRAZMLSTFB-UHFFFAOYSA-N 337.166 2.434 0 1 EEAF O=C1c2ccccc2S(=O)(=O)N1Cc1cc(-c2ccccn2)no1 1857549732 QCXQGOYAFKTGQO-UHFFFAOYSA-N 341.348 2.081 0 1 EEAF Cc1ccccc1CN1CCN(c2cnnc(O)c2C2CC2)CC1=O 1857558845 QJGWZUDPYWFSNL-UHFFFAOYSA-N 338.411 2.217 0 1 EEAF COc1cc2ncccc2cc1NC(=O)c1cnn2cc(O)cnc12 113652890 UJFKYOVASOKVMM-UHFFFAOYSA-N 335.323 2.244 0 1 EEAF CN1[C@H](c2csc(-c3cc(N)ccc3O)n2)SC[C@H]1C(=O)O 103234753 LDJIJQFNXQGBBP-GWCFXTLKSA-N 337.426 2.228 0 1 EEAF CCCC[C@H](O)[C@H](C)Nc1cc(NC(=O)OCC)nc(N)c1N 27196341 ZCFLBEDPPVQBNA-ONGXEEELSA-N 325.413 2.166 0 1 EEAF COC(=O)c1cccc(C[S@](=O)c2nc3ccccc3[nH]2)c1N 28228167 PVDXOJFOXKFYAL-HSZRJFAPSA-N 329.381 2.240 0 1 EEAF CCNC(=O)Nc1nc2c(s1)CN(c1cncc(OC)c1)CC2 114211411 FAKCVIQSIHNJKW-UHFFFAOYSA-N 333.417 2.251 0 1 EEAF Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCCc1ccccn1 82213022 BNZUQKMDIOYDEZ-GASCZTMLSA-N 327.432 2.448 0 1 EEAF O=C1[C@H]2CN(CC3CCOCC3)C[C@@H]2CN1Cc1cccc(F)c1 299843607 UVRZROXIYOVHHF-AEFFLSMTSA-N 332.419 2.143 0 1 EEAF CC(C)Oc1cc(-c2ccnc(NC(=O)C3CC3)c2)ncc1C(N)=O 299863864 LSNCRONBAFHZTO-UHFFFAOYSA-N 340.383 2.378 0 1 EEAF O=C(NCC(=O)n1ncc2ccc(Cl)cc2c1=O)c1cccs1 587653531 IVXLNXFQCMLGJL-UHFFFAOYSA-N 347.783 2.182 0 1 EEAF Cc1ccnc2[nH]c(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc12 586927928 ZUZZRFNVYPJVED-UHFFFAOYSA-N 343.408 2.485 0 1 EEAF COc1ccc([C@]2(C)c3ccsc3CCN2C(N)=O)nc1OC 962703647 DQJVYYQOIVFAKV-INIZCTEOSA-N 333.413 2.361 0 1 EEAF NC(=O)COC(=O)CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 12599490 KQTGPVFYNVGBHJ-XYAOECAESA-N 330.222 2.139 0 1 EEAF CC(C)c1cc(N2CCOCC2)nnc1C(=O)NC1CCCCC1 1857752559 ILGWVPKIAQLETO-UHFFFAOYSA-N 332.448 2.499 0 1 EEAF COc1ccc2[nH]c([S@](=O)Cc3nccc(N(C)C)c3F)nc2c1 2898 GAHAXUJHLNBMRS-DEOSSOPVSA-N 348.403 2.479 0 1 EEAF CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758479 PKTCEVHCHKHMSR-GDBMZVCRSA-N 346.427 2.415 0 1 EEAF CN1CCN(CCCSc2n[nH]c3c4ccccc4nc-3n2)CC1 103865233 MBYAGLXNNNKREM-UHFFFAOYSA-N 342.472 2.187 0 1 EEAF CC[C@@H]1C(=O)OCc2c1c(C(=O)OC)c1n(c2=O)Cc2ccccc2-1 27420649 PJQFQPSFUBMPPU-NSHDSACASA-N 339.347 2.214 0 1 EEAF CNC(=O)[C@@H]1CCC[C@@H]1n1cnc2c(NC3CCCC3)ncnc21 29132518 GCHUIWVKXAQACX-OLZOCXBDSA-N 328.420 2.268 0 1 EEAF CCN1CC(C)(C)OC(=O)[C@H]1CC(=O)NCc1ccccc1Cl 117771085 CBWWXSMUYNFBHU-CQSZACIVSA-N 338.835 2.372 0 1 EEAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)cnn1)nn2C1CC1 1911584516 AILGBGRFWDZZCD-UHFFFAOYSA-N 337.265 2.345 0 1 EEAF COc1ccc(N2CN(C=O)c3ccc(OC)cc3C2=O)c(OC)c1 238778289 BCLOXLCLSOCCEB-UHFFFAOYSA-N 342.351 2.293 0 1 EEAF COc1ccc(CN(C)[C@@H]2[C@H]3[C@@H]4[C@@H]5[C@H]6C[C@@H]4[C@@H]2[C@H]6C(=O)[C@@H]35)cc1OC 299845601 LNTMHZZRTAQEJQ-OJMBANARSA-N 339.435 2.461 0 1 EEAF CCCNCc1c(F)cc2c(=O)c(C(=O)O)cn3c2c1OC[C@@H]3C 473234929 HNSGFLGBLJZWTE-VIFPVBQESA-N 334.347 2.292 0 1 EEAF COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C 587429269 AQPQELQYAZKWII-SJKOYZFVSA-N 327.336 2.309 0 1 EEAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cncnc4[nH]3)n2)cc1 587113424 JSDMVXSEEPXNNL-UHFFFAOYSA-N 346.276 2.074 0 1 EEAF Oc1nc(O)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2n1 587231852 GHSCBQHWPKXANG-UHFFFAOYSA-N 337.339 2.314 0 1 EEAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587094185 LVKWNIZEQPIVNE-QMMMGPOBSA-N 342.321 2.394 0 1 EEAF Nc1ccc2c3c1[C@@]1(C[C@H](C(=O)O)Oc4ccc(F)cc41)N(CC3)C2 962948602 BADJVLJDWXJNLB-APWZRJJASA-N 340.354 2.259 0 1 EEAF Cc1ccc(NC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)cc1 2687073 XKCFFXLOKBCFDA-UHFFFAOYSA-N 343.408 2.479 0 3 EEAF C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@@H]1CC[C@H]1C[C@@H]3C[C@]12CC[C@]3(O)CO 100193192 NOFOAYPPHIUXJR-XPZISPLRSA-N 338.488 2.086 0 1 EEAF in-vitro CSc1ncnc2c1ncn2CCCNCCc1ccccn1 61922444 FUMPMMNEZFMENY-UHFFFAOYSA-N 328.445 2.166 0 3 EEAF Cc1cc(O)c(C=O)c(O)c1C(=O)OCc1cc(O)c(C)c(O)c1 13310285 OFGVBNPUDVPMGT-UHFFFAOYSA-N 332.308 2.295 0 1 EEAF biogenic CC(C)=CCc1cccc2c(C[C@H]3NC(=O)[C@@H](C)NC3=O)c[nH]c12 14721647 IHJVJWQYVQWURS-MLGOLLRUSA-N 325.412 2.222 0 1 EEAF biogenic COc1cc(O)cc2c1C(=O)[C@H]1OCc3cc(O)c(O)cc3[C@@H]1O2 13410921 VBHQQUQXWGPBBF-DLBZAZTESA-N 330.292 2.027 0 1 EEAF biogenic Cn1c(-c2ccc3nccnc3c2)c(-c2cccc(CN)c2)c(=O)n1C 45364760 WRELHPHKXOUWPP-UHFFFAOYSA-N 345.406 2.460 0 1 EEAF COc1c(O)cc2oc(-c3cc(O)cc(O)c3)c(OC)c(=O)c2c1O 238742308 XVTXFCRYZATTHG-UHFFFAOYSA-N 346.291 2.300 0 1 EEAF N=C1CC[C@@H](c2nc3ccccc3c(=O)n2-c2ccccc2C(=O)O)N1 238786287 UPGHTKNUBRMECH-AWEZNQCLSA-N 348.362 2.486 0 1 EEAF C=Cc1cccc2c1CCN1C(=O)CN=C(n3cnc(COC)c3)C=C21 149150598 FCTBXASGWAKIAB-UHFFFAOYSA-N 348.406 2.359 0 1 EEAF N=c1[nH]c2nc(C3(O)CCC(C(F)(F)F)CC3)nc-2c(Cl)[nH]1 587127088 RFXQGNHHCFOJRZ-UHFFFAOYSA-N 335.717 2.311 0 1 EEAF COC(=O)[C@@H]1SC[C@@H](C)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454236 VTFJAUVPOVWQGS-CXCKZPSRSA-N 334.393 2.106 0 1 EEAF Oc1nc(O)c2ccc(-c3cc(F)nc(N4CCCC4)c3)nc2n1 587369847 QCWRLWBRNRODER-UHFFFAOYSA-N 327.319 2.237 0 1 EEAF Cc1c(F)ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 586957840 DFRBUSQXWKAOGJ-MRXNPFEDSA-N 349.387 2.479 0 1 EEAF COc1ccc([C@@H](O)[C@@H](C)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 587936744 LWFVUMDLOKMCEF-HQJQHLMTSA-N 333.779 2.216 0 1 EEAF CN1C(=O)[C@@H](C(=O)Nc2ccccn2)[C@@H]2C[C@@]1(C)Oc1ccccc12 5582945 FBASSRSUKFUAQB-VVFCZOMOSA-N 337.379 2.391 0 1 EEAF O=C(NC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 13534203 JQRGZCIIOMPAEJ-KDOFPFPSSA-N 338.398 2.178 0 1 EEAF COc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2 13781499 QNLKJSGZMGMFBW-UHFFFAOYSA-N 343.383 2.422 0 1 EEAF N[C@H](Cc1cc(-c2ccccc2)ccc1CCP(=O)(O)O)C(=O)O 13901596 TUFXEOCVQFGLHS-MRXNPFEDSA-N 349.323 2.028 0 1 EEAF CCCc1cc(O)n2nc(NCc3cc(OC)ccc3OC)nc2n1 15668959 MLWVVGHNIHTCLS-UHFFFAOYSA-N 343.387 2.412 0 1 EEAF Cc1cc(NNC(N)=S)nc(SCc2nc3ccccc3[nH]2)n1 169349041 ATZNIPSIJNREPY-UHFFFAOYSA-N 345.457 2.114 0 1 EEAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2cccnc2)CC[C@]1(C)O 2356288925 MUPNFNCDYLAJBM-AQNXPRMDSA-N 339.439 2.284 0 1 EEAF CN1[C@H](c2csc(-c3ccc(O)cc3O)n2)SC[C@H]1C(=O)O 103234737 VNFKVBSUMZICBM-GWCFXTLKSA-N 338.410 2.352 0 1 EEAF COc1nc(N)c(Cl)cc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2C 100914235 BCLLSLQFCCDNIE-GHMZBOCLSA-N 338.839 2.071 0 1 EEAF COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(=O)N(C)C 35286156 JUEODSQEJGVBBZ-UHFFFAOYSA-N 345.403 2.267 0 1 EEAF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)C)CC(=C)[C@]1(O)CC=C(C)[C@H]21 15059793 YNPWRXLOAYTDQM-PPLBCVRQSA-N 332.396 2.309 0 1 EEAF biogenic O=C(Cc1cccs1)N1C[C@H]2OCCN(CC3CCCC3)[C@@H]2C1 299843061 LQYWCXGWFBCXBN-IAGOWNOFSA-N 334.485 2.392 0 1 EEAF CCOC(=O)[C@@H](CC)[C@]1(COC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438798 IAJYDEKCVQPESL-LPMFXHHGSA-N 348.395 2.417 0 1 EEAF C/C=C\C[C@@H]1c2cc3c(O)nc(O)nc3nc2C[C@H]1CC(=O)OC 587559050 FCSJDDUNHVUNPS-CMIOBCHKSA-N 329.356 2.221 0 1 EEAF CC[C@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586908695 CQYZYOBKHKLQBL-IUODEOHRSA-N 337.445 2.486 0 1 EEAF COC(=O)c1ccc(C)cc1CCCn1cnc2c1NC=NC[C@@H]2O 13807696 ZDIDPDYZBAVGDL-HNNXBMFYSA-N 342.399 2.098 0 1 EEAF COCCOc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2F)nc1 150034721 VAFMNJHMYDJOFT-INIZCTEOSA-N 348.378 2.045 0 1 EEAF O=C(OC[C@H](O)CO)c1ccc(NCCCc2ccccc2)cc1 29207171 APLLKVLXXSGGMS-GOSISDBHSA-N 329.396 2.241 0 1 EEAF O=C(N[C@@H](CO)c1nc2ccsc2c(=O)o1)OCc1ccccc1 22342 TWTPBMRXUDCZSB-LBPRGKRZSA-N 346.364 2.209 0 1 EEAF O=C(O[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccn1)c1cccs1 4092779 IQDXDWHHAFOTHQ-WFASDCNBSA-N 346.408 2.336 0 3 EEAF O=C1c2cc(OC(F)(F)F)ccc2-n2c1nc1ccncc1c2=O 6567232 MHGHHZKKQAJCDD-UHFFFAOYSA-N 333.225 2.224 0 1 EEAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4F)C[C@H]3C2)n1 116822572 NQJPGCOBCMCROW-GJZGRUSLSA-N 340.402 2.441 0 1 EEAF C[C@@H]1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@H]1[C@H]2O)[C@@]1(C)CCCC(C)(C)[C@H]1C[C@H]3O 2356646446 CVQIEWZWXJRAQL-WJJPJMHWSA-N 336.472 2.147 0 1 EEAF C[C@]1(CO)C[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@](O)(CO)C3 2356782057 COMXNNJQOALRDW-RLRKYXOPSA-N 338.488 2.086 0 1 EEAF Cc1ccccc1OCC(=O)NCCC(=O)Nc1ccc(O)cc1 71750578 OEHJJSIJRDVBKA-UHFFFAOYSA-N 328.368 2.224 0 1 EEAF Clc1cc(CCN2CCN(c3ncccn3)CC2)cc2[nH]cnc12 40938807 CULFPNBQRAJNAL-UHFFFAOYSA-N 342.834 2.371 0 1 EEAF COc1cc2c(cc1O)C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C(C)=O 238741293 PBJNHHVHWVSQDK-GMBSWORKSA-N 329.396 2.185 0 1 EEAF CC(C)(C)NC(=O)[C@@H]1c2ccccc2OCC(=O)N1CC(F)(F)F 199208063 LUTAUXOWJCSBGG-ZDUSSCGKSA-N 344.333 2.426 0 3 EEAF CN[C@H]1CCc2cc(OC)c(O)c(OC)c2-c2ccc(O)c(=O)cc21 238731972 OLTGXKFEPBOIDY-ZDUSSCGKSA-N 343.379 2.349 0 1 EEAF CC(=C/CO)/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@@H]2C(C)(C)CCC[C@@]21C 238780323 RMAJUEUHZWCNQM-IQCCWIEKSA-N 338.488 2.416 0 1 EEAF CC1(C)[C@H]2CC[C@]3(O)C[C@@](C)([C@H](O)CO)CC[C@H]3[C@]2(C)CC[C@H]1O 238751006 IXDKKKJUDKOPHL-YAGVAZRSSA-N 340.504 2.474 0 1 EEAF Nc1ccnc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c12 587120274 VNECAUZPQIYKOR-UHFFFAOYSA-N 349.276 2.459 0 1 EEAF CCOc1cc(-n2c(O)cc(C(=O)O)c2O)c(Cl)cc1C(=O)O 587941031 LYYLAKXSQPSDLS-UHFFFAOYSA-N 341.703 2.337 0 1 EEAF CCOC(=O)c1oc2c(c1C)-c1nc3nc(O)nc(O)c3cc1CC2 587561433 QSMHWLOQMGHKMK-UHFFFAOYSA-N 341.323 2.280 0 1 EEAF CC[C@H]1OCCC[C@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586907427 AMQSRKRQAYMSON-DGCLKSJQSA-N 337.445 2.486 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(n1)NC(=O)CO3)O2 587402576 ZFNNYJMIXUMKCV-CQSZACIVSA-N 325.324 2.010 0 1 EEAF CN(C)S(=O)(=O)c1cccc2nc(Cc3cc(N)ccc3F)[nH]c12 587142240 PCWPVDUNMFYDRW-UHFFFAOYSA-N 348.403 2.125 0 1 EEAF C[C@H](CO)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1 1772605338 UWTNXYBYBHTZRY-GFCCVEGCSA-N 335.367 2.054 0 1 EEAF CN(C)c1nc(N(C)C)nc(N(C)C23CC4CC(CC(C4)C2)C3)n1 5925078 ASDANTDVNGNOKK-UHFFFAOYSA-N 330.480 2.409 0 1 EEAF CCOC(=O)c1ccc(C)c(CCn2cnc3c2NC=NC[C@@H]3O)c1 13807661 DCJRIALZFIPCSY-HNNXBMFYSA-N 342.399 2.098 0 1 EEAF CCCCC[C@H]1CCCCC[C@H](O)C[C@@H](O)[C@H](O)C=CC(=O)O1 1857626431 LEEBEEPDVOWSDN-MWDXBVQZSA-N 328.449 2.472 0 1 EEAF COc1cc(O)c2c(c1O)[C@H](OC)[C@@H]1C[C@](C)(OC)OC[C@H]1C2=O 2356418071 WIJFPHJXBDLXRE-ZTMRPBCXSA-N 338.356 2.006 0 1 EEAF COCCN[C]1C=C(c2noc([C@@H]3CCCN3CC(C)C)n2)C=CN1 2356851620 LWEGGLRHKMCPDE-HNNXBMFYSA-N 346.455 2.088 0 1 EEAF CCCNC(=O)c1cc([C@H]2CCCCN2C(=O)OCCF)on1 61896774 MPXCEPALXBPGEZ-GFCCVEGCSA-N 327.356 2.448 0 3 EEAF O=C(NCc1ccc(F)cc1F)c1cc(-c2ccncc2)nnc1O 43020742 SYRKXDLOKWZZOW-UHFFFAOYSA-N 342.305 2.452 0 1 EEAF c1cc(OC[C@H]2CN(C3CCC3)CCO2)ccc1CN1CCOCC1 40972719 LKJMWTSWMDOVIJ-HXUWFJFHSA-N 346.471 2.151 0 1 EEAF O=C(O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 82081186 VIOVEZGANSSCOU-NSHDSACASA-N 344.323 2.007 0 1 EEAF CN1[C@H]2C[C@@H](O)[C@H]1C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518096 ALDGFBJBDPWKFO-QIYDDFJZSA-N 327.424 2.497 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC)ncc2[nH]1 587232516 YGQRETGUHCUZHV-NWDGAFQWSA-N 332.404 2.003 0 1 EEAF C[C@@H](F)[C@@H](N)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587124754 OYABASLILFTMTA-MLUIRONXSA-N 325.287 2.214 0 1 EEAF Cc1ccc(-n2nnc(-c3ccc4c(O)nc(O)nc4n3)c2C)cc1 587558744 SONVHWWARAOJCN-UHFFFAOYSA-N 334.339 2.301 0 1 EEAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)s1 587564466 SWOGBFKXWLMZAW-UHFFFAOYSA-N 337.744 2.445 0 1 EEAF COc1ccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(OC)c1C 587788297 WFWUFDIEYUUZNW-UHFFFAOYSA-N 347.396 2.203 0 1 EEAF C[C@]1(c2cc[nH]n2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962959027 DHNBBVBZIOHXSI-LKFCYVNXSA-N 327.718 2.204 0 1 EEAF Cc1[nH]nc2ncc([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)cc12 962900236 IGQVPYYKGQXJDF-DZGCQCFKSA-N 326.331 2.094 0 1 EEAF O=C(O)C[C@@H]1CCC[C@@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963218022 FMIUUOHSOZGEKM-YARKZXGKSA-N 340.379 2.304 0 1 EEAF O=C1NC(=S)N2C(=O)[C@H]3Nc4cc(Cl)cc(Cl)c4[C@@H]3C=C12 1772608001 XUIHLAZYWIQDIJ-RRAGMBSWSA-N 340.191 2.012 0 1 EEAF C[C@H]1C[C@@H](C)CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C1 13118800 RVBVWVSLJMZNRO-BETUJISGSA-N 331.391 2.206 0 3 EEAF COc1cc(O)c2c(c1)/C=C\C[C@H](O)[C@H](O)/C=C/[C@H](C)[C@@H](C)OC2=O 169341012 NAWYJXUUEIIVTF-VNHKIKAFSA-N 348.395 2.277 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccc(Cl)cc1 101069475 USPKYYZDABFFSZ-JRULLXGZSA-N 342.782 2.038 0 1 EEAF O=C(c1cnsn1)c1cc2c(c(Cl)c1Cl)O[C@H](C(=O)O)C2 27996987 FUTQMYLRINLVMP-ZETCQYMHSA-N 345.163 2.464 0 1 EEAF CCN(CC)CCNC(=O)c1ccc([125I])cc1 100808213 HRVWCNMOEFNEON-XSBOKVBDSA-N 344.213 2.363 0 1 EEAF Cc1ccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)s1 20600456 HVCGNQMMOQHZEU-AWEZNQCLSA-N 329.425 2.373 0 1 EEAF O=C1CCC2(Oc3cccc4cccc(c34)O2)[C@@H]2[C@H](O)CC[C@H](O)[C@H]12 2356423846 LYHLLBJEQIPGLK-MQRGZFNUSA-N 340.375 2.418 0 1 EEAF COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H]3CO)cs2)c1 82085169 ZAEJHWASZJQWGQ-LBPRGKRZSA-N 348.424 2.424 0 1 EEAF CC[C@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(C(C)C)c2=O)N1 82224324 PFQHLMMKGQYTQV-ZDUSSCGKSA-N 344.415 2.113 0 1 EEAF CCOc1ccc2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2c1 98208063 JGGFBQCPFJAHOH-UHFFFAOYSA-N 339.355 2.014 0 1 EEAF in-vitro Cc1c(C(=O)Nc2ccccc2CC(=O)O)sc2[nH]cnc(=O)c12 391899091 FLKHRDPJVSXBIP-UHFFFAOYSA-N 343.364 2.172 0 1 EEAF in-vitro CCOC(=O)[C@](C)(OC(C)=O)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398123 CEEGONZSGRILSS-MSOLQXFVSA-N 349.383 2.186 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1cnc4nncn4c1C)[C@@H](C2)C3=O 587436104 LVAVHGBUJPWVCE-KPZWWZAWSA-N 336.351 2.104 0 1 EEAF COc1ccc2c(c1OC)[C@@](c1cccs1)(C(O)O)N(C)[C@H](C)C2 962632542 UGVPAYKFQFCMRJ-ZMZPIMSZSA-N 349.452 2.196 0 1 EEAF NC(=O)[C@H]1CCCN(Cc2ccc3c(c2)Nc2nccnc2S3)C1 135942154 DQXILTYTQUGFKH-LBPRGKRZSA-N 341.440 2.382 0 1 EEAF CC(C)C(=O)Cc1c(OC[C@H](O)C(C)(C)O)ccc2ccc(=O)oc12 5358835 DMSHDRKZHASQRO-INIZCTEOSA-N 348.395 2.071 0 1 EEAF endogenous,in-man COCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1cc(C)on1)CC2 12710989 HLBKLHPSFPQBFF-UHFFFAOYSA-N 343.383 2.157 0 1 EEAF CC(=O)[C@H]1[C@@H](c2ccccc2Cl)NC(=O)N[C@@]1(O)C(F)(F)F 13137000 YGAIATAVOPJRDO-UMNHJUIQSA-N 336.697 2.150 0 1 EEAF CCc1cccc(C)c1N1C[C@H](c2nc(C(=O)NC)c(C)[nH]2)CC1=O 19642285 AOSXQNLYOJKNIX-CQSZACIVSA-N 340.427 2.469 0 1 EEAF CC(C)N1CCN(C(=O)OC2CCN(c3nccs3)CC2)CC1 207217022 PUDRARFTTXAEEE-UHFFFAOYSA-N 338.477 2.275 0 1 EEAF C[C@@H]1C(=O)N/C(=C\c2ccccc2)c2nc3c(c(=O)n21)C=CC=CO3 1857553479 CJYUEDLQBHFMDJ-QJMZJAKPSA-N 333.347 2.352 0 1 EEAF COc1cc(C(=O)OCCN2CCC(CO)CC2)c2ccccc2n1 1857772295 ROTVASYPBVCDCD-UHFFFAOYSA-N 344.411 2.105 0 1 EEAF CCCc1c(OCCC[S@](=O)CC(=O)O)ccc(C(C)=O)c1O 27900163 JJDGRQVNMQTYJP-HSZRJFAPSA-N 342.413 2.150 0 1 EEAF CNC[C@H](O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 224545508 HCBNPVZKROEVTG-LBPRGKRZSA-N 346.406 2.092 0 1 EEAF CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](C)CN2 82212275 HFKWUUIPPWBJQN-LBPRGKRZSA-N 346.406 2.252 0 1 EEAF C[C@H](CCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O 263614138 AHRWSOYISAIFOZ-OWVAZHOYSA-N 332.437 2.454 0 1 EEAF in-vitro COC(=O)Cc1cc(Br)c(O)c(Br)c1O 40833810 RMRNQYDAEAONQT-UHFFFAOYSA-N 339.967 2.338 0 1 EEAF biogenic COc1ccc(-n2c(S)nc3ccc(OC)cc3c2=O)c(CO)c1 653703980 WOQZYVBCXFQAQF-UHFFFAOYSA-N 344.392 2.184 0 1 EEAF Nc1nc(O)c2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2n1 587246616 DHRSBVKHANJTNW-UHFFFAOYSA-N 346.350 2.560 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN(C)CCO)N1 587738937 DNSXBVWSRLIWPI-BONVTDFDSA-N 345.256 2.262 0 1 EEAF CCOC(=O)[C@H](CC(C)=O)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399779 MELFXNBKNIDKSL-UGSOOPFHSA-N 333.384 2.460 0 1 EEAF Nc1c(-c2nc3c(O)nc(S)nc3[nH]2)cnc2c(F)cccc12 587176541 PPYPNAXDCCEJCR-UHFFFAOYSA-N 328.332 2.284 0 1 EEAF Cc1csc([C@](O)(Cc2nc3ccnc(N)c3[nH]2)C(F)(F)F)n1 587094680 SRVKBPWAXKAFJL-GFCCVEGCSA-N 343.334 2.298 0 1 EEAF N[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CCC2)C1 5932812 ANWORFUZTMTZBY-SNVBAGLBSA-N 345.374 2.101 0 1 EEAF COc1ccc(C2=NN(CC(=O)O)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474087 UVCNSYMHHFIGSV-QWHCGFSZSA-N 346.383 2.141 0 1 EEAF Cn1cnnc1[C@@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 19772348 LXYIZUPFRSFPTK-OAHLLOKOSA-N 338.415 2.169 0 1 EEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccc(F)c(F)c1 4564625 KFVUXVTVNVZCBR-UIHHKEIPSA-N 346.333 2.101 0 1 EEAF O=C(Nc1nncs1)N1CCN([C@H]2CCc3ccccc3C2)CC1 23399367 YVDORDBNROSXTB-HNNXBMFYSA-N 343.456 2.245 0 1 EEAF C[C@@H](O)CCCCC[C@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@@H](O)O1 103239327 YULTUTUKMKNZHP-NVTQBHAOSA-N 340.372 2.060 0 1 EEAF CN1CCN(c2nc3ccccc3nc2OCc2cccnc2)CC1 29053557 VZEYBXNDQSTVMQ-UHFFFAOYSA-N 335.411 2.356 0 1 EEAF CC(C)(CC(=O)NC1CC1)CC(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 101272387 ZQTYSHNSWFSRTJ-PUFFEOIASA-N 348.487 2.127 0 1 EEAF CC1(C)CCC[C@]2(C)[C@@H]1[C@H](O)C=C1[C@@H](O)[C@H]3C[C@@]12CC[C@@]3(O)CO 2356528036 SFYFCRSKCFIBEC-SOKRPGPDSA-N 336.472 2.004 0 1 EEAF C[C@@]1(CO)C[C@@H](O)C[C@@]2(C)C3=C(CC[C@H]12)[C@H]1OC[C@H](O)[C@@]1(C)CC3 70455239 JMVOKTZSCPYVLB-ZCLMXRLXSA-N 336.472 2.412 0 1 EEAF biogenic,in-vitro C=CC(=O)N1CC[C@@H](Nc2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1 1911580747 RCXJYPLURGYACL-GFCCVEGCSA-N 326.400 2.082 0 1 EEAF CC(C)(Cl)[C@H](O)COc1c2c(cc3oc(=O)ccc13)OCO2 45350794 XHMFVXPQWOFICF-LLVKDONJSA-N 326.732 2.279 0 1 EEAF O=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(Cc2ccccc2)C1 40933194 WYJIXJFPLGPWKT-UHFFFAOYSA-N 340.354 2.296 0 1 EEAF CNc1ncc2c(-c3cccnc3)nn(CC3CCC(N)CC3)c2n1 84709947 RJSUQBZTJGZMTH-UHFFFAOYSA-N 337.431 2.448 0 1 EEAF CCCCC[C@@H]1CCCCC[C@@H](O)C[C@@H](O)[C@H](O)/C=C/C(=O)O1 95600944 LEEBEEPDVOWSDN-FQJMYCNQSA-N 328.449 2.472 0 3 EEAF CC1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CCN3c3ncc(F)cn3)O2)CC1 96186968 JWUQBYJZOFLWLT-OAGGEKHMSA-N 348.422 2.001 0 1 EEAF C[C@@H]1C[C@@H]([C@H](O)c2ccccn2)C(=O)[C@@H]([C@H](O)c2ccccn2)C1 253977216 AHKMRDPUGQRUPR-YEAPKDELSA-N 326.396 2.475 0 3 EEAF O=C1C[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@H]3C2)Oc2c1ccc1c2CCCC1 587527691 VMUYBIAUNBSZFK-DFTPQRALSA-N 341.407 2.352 0 1 EEAF COc1ccccc1CC(=O)c1nc2cc3c(cc2[nH]1)NC(=O)CO3 587931157 RBVRGMVQYPZTQV-UHFFFAOYSA-N 337.335 2.328 0 1 EEAF Nc1nccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587161738 QNHQRNBALKOJFU-UHFFFAOYSA-N 343.753 2.639 0 1 EEAF O=C(/C=C/c1nc2ccc(-n3cnnn3)cc2[nH]1)Nc1ccccc1 587243104 AHZCQOJSFITKRC-CMDGGOBGSA-N 331.339 2.191 0 1 EEAF COCCc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587436826 UPBKNAANFQQHPX-FZKQIMNGSA-N 326.352 2.163 0 1 EEAF CN(c1ccc(-c2csc(CCCO)n2)cc1)S(C)(=O)=O 587923733 ITBFVYYHDUPVBX-UHFFFAOYSA-N 326.443 2.131 0 1 EEAF N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCC[C@H](F)C1 13561267 GYGFHVJFCNWUNT-GJZGRUSLSA-N 327.831 2.108 0 1 EEAF COc1ccccc1C(=O)NC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C 102092143 UKMATDGDVREYGK-KBPBESRZSA-N 331.416 2.150 0 1 EEAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@H](O)[C@H]1[C@@H]3C[C@@H](C[C@@H]12)OC3=O 104370934 OEIFXOHVCYVTGK-NAEWPXSFSA-N 346.379 2.223 0 1 EEAF in-man C[C@@H]1CCCN1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccs1 103296753 HUETVWLJQLODGB-MNOVXSKESA-N 340.449 2.417 0 1 EEAF COc1cc([C@H](OC)[C@@H]2OC[C@H](O)[C@H]2c2ccc(O)cc2)ccc1O 2356411201 YNZAIYQWLLYYIN-WZGPROSRSA-N 346.379 2.337 0 1 EEAF CC(C)(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccccc1 27212865 JZBNONDMUCTZLW-AWEZNQCLSA-N 334.416 2.202 0 1 EEAF CCOC(=O)C[C@@]1(C(C)=O)C(=O)Oc2ccc3ccccc3c2N1C 61958696 GTVXCQNZIJUDHD-LJQANCHMSA-N 341.363 2.476 0 3 EEAF COc1cc2c(c(OC)c1O)C(=O)N1CCc3cc(O)ccc3[C@H]1C2 14638481 UAEQPGJNTGBPLI-CQSZACIVSA-N 341.363 2.411 0 1 EEAF biogenic CN(C)c1ccc(-c2cn(-c3ccc(S(C)(=O)=O)cc3)nn2)cc1 40865768 QLIKKZAXKXHUTI-UHFFFAOYSA-N 342.424 2.404 0 1 EEAF COc1cncc(-c2cccc(C3=N[C@H]4C(C(N)=O)=CC=C[C@H]4O3)c2)c1 96916076 LGKFXIVQPPUYCN-MSOLQXFVSA-N 347.374 2.253 0 1 EEAF C[C@H]1Oc2ccc(Br)cc2C=C1/C=C1/C(=O)NC(=N)N1C 95597646 HPBQGSXTVHKHCI-HLPMDPMVSA-N 348.200 2.494 0 1 EEAF COc1ccc(C[C@]2(OC)COc3cc(O)cc(O)c3C2=O)cc1 238761823 ARCKOGAKWIFSHD-SFHVURJKSA-N 330.336 2.309 0 1 EEAF CS(=O)(=O)/C=C/c1nc2cccc(I)c2[nH]1 586924430 AJLCCYDXZRCSDJ-AATRIKPKSA-N 348.165 2.183 0 1 EEAF CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2c(C)cc(Cl)cc12 587626868 JABXXLWTUJXGKK-UHFFFAOYSA-N 349.818 2.263 0 1 EEAF COc1cccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1O 587786074 GZTWTUJUIZAPDI-UHFFFAOYSA-N 347.396 2.194 0 1 EEAF O=C1CSC[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)N1 587043257 JWNMKLLTUWLHJY-RXMQYKEDSA-N 347.625 2.278 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)N1CCN(C)CC1 587873398 YOKAQIJDYHJUFF-UHFFFAOYSA-N 332.379 2.303 0 1 EEAF COc1cc(O)ccc1[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963489985 JSLSKLJCNBDBJV-YOEHRIQHSA-N 329.352 2.103 0 1 EEAF CC(C)Oc1cccc(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 12594331 MARBGRMFMMPDOR-AWEZNQCLSA-N 325.430 2.328 0 3 EEAF CNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@@H]1C)OCO3 13604053 BNHNCCQQZNCFQJ-JTQLQIEISA-N 338.367 2.466 0 1 EEAF C[C@H]1O[C@@H](SCCC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H](O)[C@@H]1O 169365828 HWVMUFHBNMDWTI-LEPRZOLTSA-N 342.501 2.154 0 1 EEAF COc1cc(-c2cccc(C(=O)N3CCOCC3)c2)cc(C=O)c1O 169699644 TWPQLUMGQJEVES-UHFFFAOYSA-N 341.363 2.353 0 1 EEAF COc1ccc(OC)c(CCc2cnc3nc(N)nc(N)c3c2C)c1 3815012 VRAFZGTXFNQHGJ-UHFFFAOYSA-N 339.399 2.300 0 1 EEAF C[C@@H](OC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)C(=O)Nc1ccc(C(N)=O)cc1 102373499 INPXQEUQQYHOKP-GBOPCIDUSA-N 344.411 2.482 0 1 EEAF CC(C)(C)OC(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1 26495511 QCJDAWQKVVBUEB-UHFFFAOYSA-N 330.387 2.258 0 1 EEAF C[C@]12CC(=O)c3occc3[C@@H]1CC[C@@]13C[C@@](O)(CO)[C@@](O)(CC[C@H]12)C3 2356424629 YDESRUMIEMCEJF-SVTSXBDKSA-N 346.423 2.394 0 1 EEAF CC=C(CO)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@H]1CO 2356563721 AXTRBQOMEOBKOZ-BQFCYCMXSA-N 340.423 2.161 0 1 EEAF CC(C)CN1c2nccc[n+]2C[C@@]1(O)c1ccc(Br)cc1 72112507 LBVXWVUCWGTAAU-MRXNPFEDSA-N 349.252 2.453 0 1 EEAF N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccs1)C1CCCCC1 40424614 VYVHQLROMRBYCY-JKSUJKDBSA-N 349.500 2.263 0 1 EEAF COc1ccc2c(c1)C(=O)[C@@](O)(OC)[C@](OC)(c1ccccc1)O2 40937386 GGQCEBFQSWDRBR-MSOLQXFVSA-N 330.336 2.105 0 1 EEAF CCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@H](C)CN2 82211215 BJFIVOQMALYUBK-GFCCVEGCSA-N 344.415 2.027 0 1 EEAF CC(C)CNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](C)CN2 82211777 NQJFMHNRQCQDJY-NSHDSACASA-N 334.445 2.174 0 1 EEAF Cc1ccc(-c2cn(CCc3ccc(S(N)(=O)=O)cc3)nn2)cc1 96908725 VRGATHDOGPBMPB-UHFFFAOYSA-N 342.424 2.144 0 1 EEAF O=C1CC[C@H](C(=O)N2CCc3sccc3[C@H]2c2cccs2)NN1 618013316 SRAZJYGJZZXXAK-ABAIWWIYSA-N 347.465 2.067 0 1 EEAF CN(C)S(=O)(=O)CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586929872 BWIMWCUFVNIRCR-UHFFFAOYSA-N 339.314 2.155 0 1 EEAF CC(C)(C)OC(=O)N1CCCc2cc3c(O)nc(O)nc3nc2C1 587558821 UBIHTZWUEJZNSP-UHFFFAOYSA-N 332.360 2.119 0 1 EEAF O=C(NCc1nc2c(Cl)ncnc2[nH]1)c1cc2c(s1)CCC2 587035092 NWNLMSKQZVJPMR-UHFFFAOYSA-N 333.804 2.487 0 1 EEAF CS(=O)(=O)c1ccc2[nH]c(C3(Cl)CC3)c(-n3cncn3)c2c1 587648892 IYKBPFOGKPPQOF-UHFFFAOYSA-N 336.804 2.380 0 1 EEAF CC[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586888421 IVQIQTQTPMZLRB-GUYCJALGSA-N 349.456 2.487 0 1 EEAF NS(=O)(=O)c1c[nH]c(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)c1 586930062 NXKXZRWUJJZWCN-UHFFFAOYSA-N 348.281 2.363 0 1 EEAF COc1ccccc1N1CCN(CCn2nnc3ccccc32)CC1 13738287 CZDWXDSOSZZJJP-UHFFFAOYSA-N 337.427 2.262 0 1 EEAF COC(=O)Cc1c(O)cc(Br)c(O)c1Br 169113587 DNYBOFAYOXISLZ-UHFFFAOYSA-N 339.967 2.338 0 1 EEAF CCOC(=O)[C@@]1(CCC2OCCO2)CC[C@@]2(c3ccccc3)O[N@]12 1857536605 AFWVTQZWHYYGPD-CEXWTWQISA-N 333.384 2.335 0 1 EEAF N[C@@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 13730936 YTEBHKVWLVDMRI-KRWDZBQOSA-N 347.413 2.357 0 1 EEAF CN1C[C@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H](C1)N2C 101243344 GVZXTWDXVBUVBA-HZPDHXFCSA-N 342.487 2.271 0 1 EEAF CC(C)(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(C2CC2)n1 2356574465 AKPUQTLELMMLOB-MLHJIOFPSA-N 347.503 2.280 0 1 EEAF CC(C)C(=O)NCCNC[C@H](O)COc1cccc2sccc12 29215113 VTDDDXJMCYDZMR-ZDUSSCGKSA-N 336.457 2.003 0 1 EEAF CC(=CC(=O)O)C=C(C)CCCCCC[C@H](O)[C@@H](CO)C(=O)O 2356845364 OEBUJDRTQIBBBJ-CABCVRRESA-N 328.405 2.358 0 1 EEAF CCCc1n[nH]c([C@@H]2CN(C(=O)c3cc(F)ccc3OC)CCO2)n1 76045896 FNVYIXAUEZGKIK-AWEZNQCLSA-N 348.378 2.119 0 1 EEAF Cc1ncc(Cn2cc(COc3ccc(Cl)cc3)nn2)c(N)n1 73198858 VXNDVDGSHXDPKZ-UHFFFAOYSA-N 330.779 2.239 0 1 EEAF CC(C)NC[C@H](O)COc1ccc(Br)cc1/C=C/CO 40640024 ATMFIAWMMQFHLB-XGACYXMMSA-N 344.249 2.192 0 1 EEAF COc1cccc(CCN2[C@@H]3[C@H]4[C@@H]5[C@@H]6[C@@H]7C[C@H]([C@@H]3[C@@H]7[C@]52O)[C@H]64)c1OC 254086120 FOTUXOOYRRRHFQ-WRFUQOFFSA-N 339.435 2.007 0 1 EEAF Cc1cc(CN2C[C@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)no1 299842406 PKSGCTGSAMKGGU-GOEBONIOSA-N 347.440 2.018 0 1 EEAF O=S(=O)(Nc1nccnc1Nc1ccncc1)c1ccccc1 299823755 UGJATFJZLXYCCM-UHFFFAOYSA-N 327.369 2.416 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CS(=O)(=O)Oc3ccccc31)O2 587410822 QBGIQKKPDMBITD-QGZVFWFLSA-N 345.376 2.160 0 1 EEAF CC1(C)CN(c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)C1=O 587559308 XJSUCTVCLYSWPI-UHFFFAOYSA-N 336.351 2.476 0 1 EEAF Cc1cc(C)c(O)c(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c1 587560100 AWORRKVGZGXSRJ-UHFFFAOYSA-N 341.323 2.053 0 1 EEAF CCS(=O)(=O)c1cccc(Cc2nc3cnc(Cl)[nH]c-3n2)c1 586923025 WFBAXNKJGPORAE-UHFFFAOYSA-N 336.804 2.342 0 1 EEAF O=Cc1ccc(OCCc2nc3c(S)nc(S)nc3[nH]2)cc1 587566832 YTXJKYCHQUSZIJ-UHFFFAOYSA-N 332.410 2.364 0 1 EEAF COC(=O)C[C@@]1(c2ccc(OC)cc2)NCCc2ccc(O)cc21 963331145 XZVCGWNVDVLYFV-IBGZPJMESA-N 327.380 2.353 0 1 EEAF O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1cccc(F)c1 1772606052 NTKXSBSMEIBBDP-UHFFFAOYSA-N 327.311 2.255 0 1 EEAF CN1CCN(c2cc3c(-c4ccccc4F)n[nH]c3cn2)CC1=O 205254662 LGRXFCYSCRBBGL-UHFFFAOYSA-N 325.347 2.042 0 1 EEAF COc1ccc(Cl)cc1NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1 3907046 PADZUSAVGRZISC-ONGXEEELSA-N 332.834 2.029 0 1 EEAF O=C1CC[C@H](O)[C@@H]2[C@H]1[C@@H](O)C=CC21Oc2cccc3cccc(c23)O1 2356505578 JDOPKJKDJUPYHU-YXUGBTPSSA-N 338.359 2.194 0 1 EEAF Cn1cc2ncn(C3CCN(c4ccccc4F)CC3)c(=O)c2n1 72134579 FRVRQDMSKWMFLT-UHFFFAOYSA-N 327.363 2.111 0 1 EEAF O=C(/C=C(\NNc1ncccc1[N+](=O)[O-])C(F)(F)F)C(F)(F)F 137960954 VYLHYIFFUWAAKZ-XQRVVYSFSA-N 344.171 2.484 0 1 EEAF COc1cc(CNc2nc(N3CCOCC3)ncc2C)cc(OC)c1 82202755 JGLRHGUKXMDAQW-UHFFFAOYSA-N 344.415 2.251 0 1 EEAF CCN1CCC(n2cc(CN3CC[C@H]4SC=C[C@@H]4C3)nn2)CC1 96924142 SLBOIEZSALKLLZ-RHSMWYFYSA-N 333.505 2.386 0 1 EEAF CN1CCCCN2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO 95875502 IONGPUPOKVRUOO-PMPSAXMXSA-N 339.277 2.303 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(N)=O)cc1)O2 587388862 HINCUKPCSBVJRD-IBGZPJMESA-N 340.379 2.322 0 1 EEAF CCOC(=O)[C@@H](CC(C)=O)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399771 MELFXNBKNIDKSL-ACJLOTCBSA-N 333.384 2.460 0 1 EEAF Cc1cc2c(cc1S(=O)(=O)N(C)C1CCCCC1)OCC(=O)N2 15941779 KIABNZQPSKMZSS-UHFFFAOYSA-N 338.429 2.279 0 3 EEAF Cc1cccc2c1[C@@H](c1ccccc1)N(C(=O)CNC[C@@H](C)O)CC2 201363552 GUNITUBDZFWCQM-IIBYNOLFSA-N 338.451 2.440 0 1 EEAF CN(Cc1ccncc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 250394 ADQURYJQECURIE-OAHLLOKOSA-N 329.787 2.499 0 3 EEAF COc1cccc2c1C(=O)c1ccc3c(c1[C@H]2O)C(=O)C[C@@](C)(O)C3 2356431000 YRKOFHPWOUTOGA-PMACEKPBSA-N 338.359 2.201 0 1 EEAF O=C(O[C@H](C(=O)NC[C@H]1CCCO1)c1ccccn1)c1cccs1 4092781 IQDXDWHHAFOTHQ-DOMZBBRYSA-N 346.408 2.336 0 3 EEAF C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CC[C@H](O)[C@H]3[C@@]1(C)CCc1ccoc1 103289338 RVZLDPWPUOTCAE-KCODXIBCSA-N 346.423 2.470 0 1 EEAF COC1=C2C=CO[C]2Nc2c1ccc(OC[C@H](O)C(C)(C)O)c2OC 2356312696 FNGJBLNLYROCCJ-ZDUSSCGKSA-N 348.375 2.022 0 1 EEAF C[C@]12CC(=O)c3occc3[C@@H]1CC[C@@]13C[C@@](O)(CO)[C@@](O)(CC[C@@H]12)C3 2356424627 YDESRUMIEMCEJF-JBWCTXLBSA-N 346.423 2.394 0 1 EEAF C[C@]1(CO)C[C@H](O)C[C@]2(C)C3=C(CC[C@H]12)[C@@H]1OC[C@H](O)[C@]1(C)CC3 2356779034 JMVOKTZSCPYVLB-QOALCBNTSA-N 336.472 2.412 0 1 EEAF N[C@@](CCc1ccccc1C(F)(F)F)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O 27211498 FHTKMAZEXOYCJZ-DRCTWCGVSA-N 331.290 2.141 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)cc1 35323211 USPKYYZDABFFSZ-VWLPUNTISA-N 342.782 2.038 0 1 EEAF CCOCn1c(Cc2ccccc2)c(Br)c(N)nc1=O 84727942 VCMMHDLKOYKIBP-UHFFFAOYSA-N 338.205 2.173 0 1 EEAF COC(=O)c1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2n1 587566862 ZFEMESZMSOAMCU-UHFFFAOYSA-N 325.324 2.179 0 1 EEAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCC(N)=O 587862861 ZHYLTLLGTQWAAC-UHFFFAOYSA-N 341.289 2.483 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1cc(O)c4oc(N)nc4c1)[C@@H](C2)C3=O 587434084 QWSDXBGRGMKYSB-MGPLVRAMSA-N 338.319 2.613 0 1 EEAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4ncc[nH]c-4n3)n2)cc1 587114185 PWAPLVNWEJXMMQ-UHFFFAOYSA-N 346.276 2.025 0 1 EEAF CCCCS(=O)(=O)N[C@@H](c1nc2cncc(OC)c2[nH]1)C(C)C 586933703 WMNAAUGGWFPRSM-CYBMUJFWSA-N 340.449 2.383 0 1 EEAF O=C(NCc1ccc(F)cc1)c1cc2c(s1)CS(=O)(=O)C2 5083957 JHECEKBWNFJMKY-UHFFFAOYSA-N 325.386 2.246 0 3 EEAF CCCc1ccc(C(=O)O)cc1CCn1cnc2c1NC=NC[C@H]2O 13807589 BWBKHIOFXQRKTP-OAHLLOKOSA-N 342.399 2.264 0 1 EEAF O=C(Cn1c(-c2cncs2)nc2ccccc21)N1CCOCC1 201474786 SMIUYGPKPCVYPR-UHFFFAOYSA-N 328.397 2.019 0 3 EEAF CCOc1ccccc1OCCSC(=S)N[C@H]1CCOC1=O 1857552583 RHOZWNSTKHECGK-NSHDSACASA-N 341.454 2.387 0 1 EEAF CCCc1cc(=O)oc2c1c(OC)cc1[nH]c(C(=O)OCC)[n+]([O-])c12 1857762681 RZKKPZGRQWIYCN-UHFFFAOYSA-N 346.339 2.046 0 1 EEAF C[C@@H]1CC=CCC[C@H](O)CC(=O)Cc2cc(O)cc(O)c2C(=O)O1 2356334214 BOOGYPBXHOLWJD-YPMHNXCESA-N 334.368 2.246 0 1 EEAF C[C@H]1CN(C(=O)CCC(=O)NCc2cccnc2)c2ccccc2O1 6780618 UJNOBSLKBMIOLE-AWEZNQCLSA-N 339.395 2.292 0 3 EEAF COc1ccc2nc(CO[C@@H]3CN(C4CCOCC4)C[C@@H]3F)[nH]c2c1 2356300755 XLKXJJDLHZLGHR-WMLDXEAASA-N 349.406 2.289 0 1 EEAF CC(C)CC(=N)C1=N/C(=C\c2ccc(O)cc2)C(=O)N1CC(=O)O 58649634 BJIZAOIYQSFLFE-JAOANSBUSA-N 329.356 2.124 0 1 EEAF in-vitro C[C@H](CCc1ccc(F)cc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27743889 CGZWOSZLLCFYIB-KZULUSFZSA-N 346.402 2.275 0 1 EEAF CC(C)COC(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1 26497073 WGGYYGGRWBIVOX-UHFFFAOYSA-N 330.387 2.115 0 1 EEAF Cc1nc(CCN)cc(N(C)Cc2nccn2Cc2ccccc2)n1 39508774 PCXLQNIQQOMCSG-UHFFFAOYSA-N 336.443 2.167 0 1 EEAF O=C1c2ccccc2C(=O)N1C[C@H]1CC(c2ccc(O)c(F)c2)=NO1 43121314 BZYJSBNLEZUCFB-LLVKDONJSA-N 340.310 2.321 0 1 EEAF CC(C)(CNC(=O)Cc1ccccc1)NC[C@H](O)c1ccccc1 40504358 RFFZVJURAULFTN-SFHVURJKSA-N 326.440 2.447 0 1 EEAF Cc1cc(NCCN2CCOCC2)n2nc(-c3ccccc3)cc2n1 621443148 MPBADELGSZPOHV-UHFFFAOYSA-N 337.427 2.449 0 1 EEAF COc1ccc(CN2C[C@H]3CN(Cc4ccncc4)C[C@@H]3C2=O)cc1 299843592 URKUXCDCSZFNBD-MJGOQNOKSA-N 337.423 2.181 0 1 EEAF CCOC(=O)C[C@@]1(c2nccn2C)CC(=O)c2cc(C)cc(N)c2O1 587391991 VHAFKEOAGFBESC-GOSISDBHSA-N 343.383 2.125 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@H](O)OC2)N1 587829819 CMIJTAHEWOQDGD-NFMODRRSSA-N 328.181 2.223 0 1 EEAF COC(=O)c1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587436597 SABIZXLWYHQIFV-DIFFPNOSSA-N 325.320 2.366 0 1 EEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc4[nH]ncc4cc3[nH]2)c1 586937074 VYRWJCKBYXPWBU-UHFFFAOYSA-N 344.400 2.121 0 1 EEAF CCOC(=O)[C@H](Cc1ccccc1)c1ccc2c(O)nc(O)nc2n1 587560251 ZHWDNWAEZLLRKW-CYBMUJFWSA-N 339.351 2.325 0 1 EEAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(N)ncc2[nH]1 586973466 OQKLDDXCZZHBNA-OAHLLOKOSA-N 341.440 2.651 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2nccc(C(F)(F)F)n2)N1 962899095 HBCSMXTWBDVOBU-JOYOIKCWSA-N 341.264 2.323 0 1 EEAF O=C(O)C[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccncc1)[C@@H]23 1772576959 DMRNGCXZLDKMPG-FAJBIJEISA-N 329.444 2.231 0 1 EEAF C[C@]1(c2cc(N[C@@H]3CCCOC3)ccc2F)N=C(N)COC[C@@H]1F 169702879 JPKWXEFYYHRRRJ-ISTRZQFTSA-N 339.386 2.357 0 1 EEAF Nc1ncnc2c1ncn2CCC[C@H](c1ccccc1)P(=O)(O)O 1633698 KPQNRANKHHQHDH-GFCCVEGCSA-N 347.315 2.108 0 1 EEAF NC(=O)c1cccc(Nc2nccc(Nc3cccc4n[nH]nc34)n2)c1 28950574 FBXHFWGLHXNVMO-UHFFFAOYSA-N 346.354 2.334 0 1 EEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@H](O)[C@H]1[C@@H]3C[C@@H](C[C@@H]12)OC3=O 104370936 OEIFXOHVCYVTGK-VUOZEVRZSA-N 346.379 2.223 0 1 EEAF in-man CC=C(CO)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@@H]1CO 2356563723 AXTRBQOMEOBKOZ-LZLYRXPVSA-N 340.423 2.161 0 1 EEAF Cc1nc2c(n1C)C(=O)N1CCN=C1N2Cc1ccc(Cl)cc1 28223340 FIYVSISMJUJLBN-UHFFFAOYSA-N 329.791 2.214 0 1 EEAF NC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCO4)cs2)CC1 36380821 TYBKLUUTTBJHEE-UHFFFAOYSA-N 331.397 2.241 0 1 EEAF NC(=O)CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 216328345 RRFUPVJTPXZSQY-UHFFFAOYSA-N 335.371 2.256 0 1 EEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1COC1 222442330 KDRBBKILEOZBCW-UHFFFAOYSA-N 349.394 2.030 0 1 EEAF CO[C@@H]1[CH][CH][C@@H]2C[C@@H]3[C@@H]4[C@H]([C@@H]2[C@@H]1C)[C@@H]1OCO[C@@H]1[CH][C@@H]4CCN3C 255210917 FWHSXFFXAGDUAZ-WXSKYYRHSA-N 332.464 2.208 0 1 EEAF CC(C)(C)c1nnc2sc(COc3ccc(O)cc3)nn2c1=O 299827732 HLZDBTPFJHZFBH-UHFFFAOYSA-N 332.385 2.128 0 1 EEAF CCOC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]n1 587438417 FMEIHJXFCMQYIG-HWPZZCPQSA-N 328.324 2.084 0 1 EEAF O=C1C=CC(=O)N1CCCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876615 UMVYRDMHFDBZMG-UHFFFAOYSA-N 341.298 2.140 0 1 EEAF COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2)c1 5889019 HLVXCAKKBNEDDK-UHFFFAOYSA-N 325.372 2.424 0 1 EEAF O=C1NC(Cc2ccccc2)=N[C@H]2[C@H]1N=CN2CCc1cccs1 1857606370 ALTNKWSLKVDWDZ-IAGOWNOFSA-N 338.436 2.100 0 1 EEAF Cc1ccc(CS(=O)(=O)CCC(=O)NCCCOC(C)C)cc1 2966570 MSLMVQKVLGDAEO-UHFFFAOYSA-N 341.473 2.231 0 3 EEAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)C2CCC2)CC[C@]1(C)O 2356552517 SSSPRVZGIBFFPR-SCTDSRPQSA-N 330.428 2.016 0 1 EEAF O=C([C@@H]1CSCN1C(=O)[C@H]1C[C@H]1c1ccccc1)N1CCCC1 26468471 KRXCOGMYNYSTPD-JYJNAYRXSA-N 330.453 2.314 0 1 EEAF CO[C@@H]1CC[C@]23c4cc5c(cc4CO[C@]2(OC)CN(C)[C@@H]3C1)OCO5 14721284 SYNWETIQJZCYSM-BYNBJNPRSA-N 347.411 2.039 0 1 EEAF biogenic CCCCOc1c(OC)ccc2cc(C(=O)NCCF)c(=O)[nH]c12 72178788 UTFVZMLLHUZJOB-UHFFFAOYSA-N 336.363 2.415 0 1 EEAF COC(=O)[C@H]1COC(c2cccc(OC(=O)NC3CCCCC3)c2)=N1 45283504 HAMTZHORKYWWPS-OAHLLOKOSA-N 346.383 2.426 0 1 EEAF CC(C)NC(=O)N(C)C[C@H]1Oc2ccccc2CC(=O)N(C)C[C@@H]1C 95665176 TVFIGDKMDDMYKO-WMLDXEAASA-N 347.459 2.134 0 1 EEAF COc1nc(N2CCCC2)ccc1-c1ccc2c(O)nc(O)nc2n1 587559550 ZUEKLZNZINXFMM-UHFFFAOYSA-N 339.355 2.107 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccn(C)n1)O2 587391427 MLDYHNKYAIHKCM-JHTBKMLMSA-N 326.400 2.247 0 1 EEAF O=C(c1ccc(O)cc1O)N1CC[C@@H](C(F)(F)F)n2nccc21 584905399 LQNBNBOAGAFNTE-NSHDSACASA-N 327.262 2.448 0 1 EEAF in-vitro Cc1cc(F)c2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 586958300 HYISBFJSQBODLP-MRXNPFEDSA-N 349.387 2.479 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(C(=O)O)cccc21 587400336 MYIORHFGBNWTEI-GOSISDBHSA-N 338.319 2.088 0 1 EEAF CC1=C(c2ccc3nc(-c4c(N)cccc4O)[nH]c3c2)NNC(=O)C1 587250990 VVAIVESCGBMKSU-UHFFFAOYSA-N 335.367 2.273 0 1 EEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3cn[nH]c3cc2[nH]1 586963259 ZAMJZWDVTKUICJ-LURJTMIESA-N 327.373 2.370 0 1 EEAF CCCOCc1cnc2c(c1)c(=O)n(Cc1ccccc1)c(=O)n2C 27703765 JSGVQSYTPKHXMK-UHFFFAOYSA-N 339.395 2.070 0 1 EEAF CC[C@@]1(O)CN2CC[C@@]34C(=C(OC(C)=O)[C@H]1C[C@@H]23)Nc1ccccc14 2356551510 ICCHHWSKGFWLQK-FCNFAXOHSA-N 340.423 2.374 0 1 EEAF CC1=C[C@H](O)[C@H](O)[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]2[C@@H](O)C1 2356603819 LDJDRVCYABHRAX-VAABGGJYSA-N 338.488 2.415 0 1 EEAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)N2CCOCC2)N3C)cc1 36177318 SAGKYUWOOFCCBT-YDZRNGNQSA-N 328.456 2.420 0 1 EEAF Nc1ncnc2c1c(Oc1nccc(C(F)(F)F)n1)nn2C1CC1 1911586797 XMPMVFSLMLSTAJ-UHFFFAOYSA-N 337.265 2.345 0 1 EEAF CNC(=O)[C@@H]1C[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 587236345 VBDSTCGJXHDFFG-CRCLSJGQSA-N 329.585 2.223 0 1 EEAF CCS(=O)(=O)c1ccc2nc(-c3cccc(N)c3C(=O)O)[nH]c2c1 587249721 IKZVAOZEEGSGKL-UHFFFAOYSA-N 345.380 2.304 0 1 EEAF Nc1ncncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576818 PUUUJNZMDBUBFV-RHSMWYFYSA-N 335.319 2.467 0 1 EEAF N[C@@H](CP(=O)(O)O)c1nc2cccc(OCc3ccccc3)c2[nH]1 586921456 FVQDHRJEMQBADR-LBPRGKRZSA-N 347.311 2.319 0 1 EEAF Nc1nc(O)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2n1 587231672 DUSFSEPFJANFCR-UHFFFAOYSA-N 336.355 2.191 0 1 EEAF COC(=O)[C@@H]1CCCCC[C@]12NCCc1ccc(C(=O)N(C)C)cc12 962925940 RMJFGGCMEJFNDH-JXFKEZNVSA-N 344.455 2.483 0 1 EEAF CN1C(=O)S/C(=C\c2cc3nn[nH]c3cc2Br)C1=O 1857546094 HKASIASUDHATEP-OQFOIZHKSA-N 339.174 2.387 0 1 EEAF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@@H](O)c1ccc(O)cc1)N1CCCC[C@@H]13 1772636534 BBNDXKDYLDOPPS-GNYRAKODSA-N 339.391 2.214 0 1 EEAF NC(=O)c1sc(-c2ccnc(N)n2)nc1-c1cc(F)ccc1F 169342585 DJULSRMGLSGPAV-UHFFFAOYSA-N 333.323 2.226 0 1 EEAF CN1CCN(c2ncc(N3C[C@H](c4ccccc4)CC3=O)s2)CC1 169347296 VKDYMPPXSPKJJZ-OAHLLOKOSA-N 342.468 2.415 0 1 EEAF CC(=O)c1ccc(OCCCN2CCN([C@@H]3CCCO3)CC2)cc1 1857594138 UWBKCAYOFMYVDE-IBGZPJMESA-N 332.444 2.412 0 1 EEAF CCOC(=O)c1cc(-c2ccccc2)nc2nc(S)[nH]c(=O)c12 28651003 VRMBVQCTGMANAM-UHFFFAOYSA-N 327.365 2.451 0 1 EEAF O=C1N(c2ccccn2)C[C@@H]2CN(Cc3ccccc3F)CCN12 2356403256 DBTPDRMKVHYUHJ-HNNXBMFYSA-N 326.375 2.347 0 1 EEAF COc1cc2c(cc1O)[C@@H]1Cc3ccc4c(c3C[C@@H]1NC2)OCO4 2356489702 GXFZPZAWQYQWSW-GJZGRUSLSA-N 325.364 2.484 0 1 EEAF C[C@@H]1C(=O)[C@@]23[C@@H](CC[C@H]1[C@H]2O)[C@@]1(CO)CCCC(C)(C)[C@H]1C[C@H]3O 2356495454 SIHFLKYXQVXCGK-MUOUXMPNSA-N 336.472 2.148 0 1 EEAF CCOC(=O)[C@H]1CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)C1=O 211198731 NOCOBKQJCCFUIL-HNNXBMFYSA-N 331.412 2.465 0 1 EEAF CN1CCC=C([C@@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)C1 40875882 WKNNFHUIZFRHBO-INIZCTEOSA-N 335.448 2.485 0 1 EEAF C[C@H](Cc1cc(C(=O)Oc2ccc(C(=N)N)cc2F)co1)C(=O)O 144381847 MYTYNVXZNFHGKO-MRVPVSSYSA-N 334.303 2.185 0 1 EEAF CNc1cc(C)nc([C@H]2COCCN2CCOc2ccc(F)cc2)n1 257227114 FNSUEJRWGGNHDR-MRXNPFEDSA-N 346.406 2.418 0 1 EEAF O=S1(=O)C[C@@H]2c3ccccc3CCN2CN1CCc1ccccc1 263590803 QVXNSNXVWNJLEO-LJQANCHMSA-N 342.464 2.431 0 3 EEAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCOC4)ncc23)ccn1 261192473 ZREHSZAAUJRDNF-LBPRGKRZSA-N 338.371 2.239 0 1 EEAF CNC(=O)[C@@H](CC(C)C)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1 299841858 ALEVQTMUKARZLI-QZTJIDSGSA-N 345.487 2.270 0 1 EEAF CC[C@@H]1OCCC[C@@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586907420 AMQSRKRQAYMSON-AAEUAGOBSA-N 337.445 2.486 0 1 EEAF COc1ccc(OC)c([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c1 963521430 CCERNFFUFLFUAS-KSSFIOAISA-N 343.379 2.406 0 1 EEAF Cc1c(F)ccc2c1[C@]1(CS(=O)(=O)N(C)c3ccccc31)NCC2 962149463 WBBLZZOAQSQPGV-GOSISDBHSA-N 346.427 2.303 0 1 EEAF O=S1(=O)N[C@H](CO)c2cc(-c3c[nH]c4cc(F)ccc34)ccc21 1772585471 MUYZCDJFMYXXLU-OAHLLOKOSA-N 332.356 2.299 0 1 EEAF C[C@]1(CO)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C[C@@H]3C[C@@]12CC[C@@]3(O)CO 13543700 NOFOAYPPHIUXJR-RZUJNUHGSA-N 338.488 2.086 0 1 EEAF COc1ccc([C@H]2C(=O)NC(=O)N2c2ccc3[nH]cnc3c2)cc1O 113894435 JWLPLQZPWGTGDM-HNNXBMFYSA-N 338.323 2.075 0 1 EEAF C[C@@H]1CCCC=C[C@@]2(O)CC(=O)c3c(cc(O)cc3O2)CC(=O)O1 2356549013 NXIOMVOFGLOKLL-ZMZPIMSZSA-N 332.352 2.260 0 1 EEAF Cc1nn(CCO)cc1-c1nc2c(cnn2C[C@@H]2CC=CCC2)[nH]1 20777418 ZZUBUTOYZFGEQR-CYBMUJFWSA-N 326.404 2.280 0 1 EEAF CC=CC=CC(=O)O[C@@H]1CCCC[C@H](O)[C@@H](O)[C@@H](CCC)OC1=O 2356766026 FMVRTWDUGYFHPQ-KLZNWCGWSA-N 340.416 2.038 0 1 EEAF O=C(CN1CCOCC1)c1ccc(OCCCN2CCCCC2)cc1 73198168 QFXISHZAOOVQGO-UHFFFAOYSA-N 346.471 2.456 0 1 EEAF O=C(NC[C@@H](O)CN1CCc2ccccc2C1)Oc1ccccc1 217119391 ISPNKABZQKKZLU-QGZVFWFLSA-N 326.396 2.194 0 1 EEAF C[C@@]12CC[C@H]3NC(=O)C=C3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 138041463 LGVJHWQZLCCTPA-IZAYAAFUSA-N 331.456 2.151 0 1 EEAF CCCCNc1nc(N2CCN(c3ncccn3)CC2)ncc1C 82203091 YLLFORNEROZNKZ-UHFFFAOYSA-N 327.436 2.114 0 1 EEAF O[C@@H]1CCN[C@@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 49802636 HKIWVNOCBNBVAO-QRVBRYPASA-N 325.408 2.416 0 1 EEAF Cc1cccc(OCCCCON2C(=N)N=C(N)NC2(C)C)c1C 45188723 FFWXLDWEGIHOIJ-UHFFFAOYSA-N 333.436 2.285 0 1 EEAF CCOc1ccccc1-c1nc(C(=O)N[C@H](C(N)=O)C(C)C)cs1 82070211 OIBPXWKYRPYQDF-AWEZNQCLSA-N 347.440 2.449 0 1 EEAF COc1cc(O)c2c(c1)-c1c(O)c3cccc(O)c3c(OC)[n+]1CC2 238758204 YHFZNYRNMVKMEC-UHFFFAOYSA-O 340.355 2.484 0 1 EEAF O=C(CCCCNC(=O)c1csc(-c2cccs2)n1)NO 147351188 QFWNBURRPHCHGZ-UHFFFAOYSA-N 325.415 2.277 0 1 EEAF O[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 140143604 QWPHQYQNGZAKDO-MRXNPFEDSA-N 347.422 2.200 0 1 EEAF C=C(NC(C)=O)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587204516 WBJVYQSRSXWBNV-UHFFFAOYSA-N 338.161 2.219 0 1 EEAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cccc(C(=O)O)c2[nH]1 586962047 NWKSPECCPSJSGB-ZCFIWIBFSA-N 331.357 2.192 0 1 EEAF Cn1nnc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1C(F)F 587129201 TXSDMUOZQWLCMW-UHFFFAOYSA-N 348.357 2.128 0 1 EEAF C[C@]12COC3=C1[C@](C)(CC[C@@H]2O)[C@@]12CC[C@](O)(C(=O)O)[C@@H](C[C@H]1C3)C2 2356324964 MFUFYVRSGKJJNS-DYTMMBKTSA-N 348.439 2.464 0 1 EEAF O=P(O)(O)C(Cc1ccc(Cl)c(Cl)c1)P(=O)(O)O 103263979 CBDIRNGRAGDRQA-UHFFFAOYSA-N 335.016 2.217 0 1 EEAF Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)NC3CC3)c2)cc1 21639029 BKNZOWWLAISEHP-UHFFFAOYSA-N 331.397 2.083 0 1 EEAF Cc1nc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)co1 26576578 IJMFYZCSRMALBU-CQSZACIVSA-N 332.381 2.499 0 1 EEAF Cc1ncc(Cn2cc(COc3ccc(F)cc3Cl)nn2)c(N)n1 82156816 JFXUIQFBKHFVBR-UHFFFAOYSA-N 348.769 2.379 0 1 EEAF CCCN(CC1CC1)c1ccc2[nH]c(=O)c(CC(=O)OCC)nc2n1 82231764 MRFSZCOSEJCUOG-UHFFFAOYSA-N 344.415 2.050 0 1 EEAF CC(=O)N1CCC(CNc2cc(C)nc3c(C(N)=O)cccc23)CC1 473088064 HTLXPSDMJJCOTF-UHFFFAOYSA-N 340.427 2.313 0 1 EEAF COc1cc2c3c(c1)O[C@]1(CS(=O)(=O)c4ccccc41)[C@@H](C2)C3=O 587451640 KRPNHPXTKZICSX-UGSOOPFHSA-N 342.372 2.125 0 1 EEAF CN(C)S(=O)(=O)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587638364 XHTWGNXHMQNLCT-UHFFFAOYSA-N 336.291 2.135 0 1 EEAF COc1cc2c(cc1OC)[C@@](C)(c1cc(CO)on1)N(C)[C@@H](C)C2 962625415 DWWXZYDACJQHGW-VOJFVSQTSA-N 332.400 2.324 0 1 EEAF CCCNC(=O)Nc1ncnc2c1cnn2CCN1CCCCCC1 145066566 XYKWQTFEUOCNEB-UHFFFAOYSA-N 345.451 2.234 0 1 EEAF COC(=O)[C@@H](Cc1ccc(OC)cc1O)NC(=O)OC(C)(C)C 5950465 NEBYRAXMNWNRMO-GFCCVEGCSA-N 325.361 2.010 0 1 EEAF NCCCCN(Cc1ccc(F)cn1)C[C@H]1Cc2ccccc2CN1 1857750248 ZVRAAMPKCGGNMQ-HXUWFJFHSA-N 342.462 2.476 0 1 EEAF C[C@@H]1CCCCCCCCCC[C@H](O)[C@H](O)[C@H](O)C=CC(=O)O1 2356472065 KECCBFYFEOTIBV-HPFXQQBRSA-N 328.449 2.472 0 1 EEAF C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCC2)CC1 117379181 USRQMGAPHKQEBJ-GFCCVEGCSA-N 327.428 2.319 0 1 EEAF CNC(=O)Oc1ccc(-c2cn3c(NC(C)=O)cccc3[n+]2C)cc1 49047194 LVCZZDYFTPYKNU-UHFFFAOYSA-O 339.375 2.107 0 1 EEAF CC(C)NC[C@H](O)COc1cc(/C=C/CO)ccc1Br 40466092 PFKFARKFEDPQHQ-OOPCZODUSA-N 344.249 2.192 0 1 EEAF C[C@@](CC(N)=O)(NC(=O)c1cc(OCCF)c(C2CC2)cn1)C1CC1 146215168 MSUFNCXRNKWDMI-SFHVURJKSA-N 349.406 2.081 0 1 EEAF COc1cc(CC(C)=O)c2c(=O)cc(CCCOC(C)=O)oc2c1 95554441 LUVCIHKKQCPFQB-UHFFFAOYSA-N 332.352 2.429 0 1 EEAF Cc1noc(C)c1CN1CC[C@H]2OCC[C@H](C(=O)NCC3CC3)[C@@H]2C1 299842749 XAIYJMKAXGMPBH-RYQLBKOJSA-N 347.459 2.045 0 1 EEAF CCO[C@H](/C=C/C=C/[C@@H](C)O)CC/C=C/C(=O)NCC(C)(C)O 653690525 QYFDCLLLDJSPJX-UKQJGDIUSA-N 325.449 2.108 0 1 EEAF CCOc1ccccc1OCc1nc2cccc(S(N)(=O)=O)c2[nH]1 587781206 SMUWEIYRVNLBMX-UHFFFAOYSA-N 347.396 2.188 0 1 EEAF O=c1c2cc(Cl)ccc2cnn1C(=S)NCc1cccnc1 587654089 HOVLTUBUWLDIEG-UHFFFAOYSA-N 330.800 2.368 0 1 EEAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(CO)ccc3F)[nH]c12 587140002 CWRZNHDXFSBCAR-UHFFFAOYSA-N 349.387 2.112 0 1 EEAF CCOC(=O)[C@@H]1CN(CC)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587396428 SENAKXCJCHMSPU-IFXJQAMLSA-N 346.427 2.186 0 1 EEAF CN1C=CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587597380 USMVEPDHNIJPGX-HNAYVOBHSA-N 337.331 2.468 0 1 EEAF CC(C)c1nn(C)c2c1[C@](C(=O)O)(c1c[nH]c3ccccc13)NCC2 962914342 FMZLTABNFIYTBS-IBGZPJMESA-N 338.411 2.499 0 1 EEAF COc1n[nH]c2cc(NC(=O)N[C@H]3CNc4ccccc4C3)ncc12 1772601973 QCPWZHYXRRTTNU-LLVKDONJSA-N 338.371 2.125 0 1 EEAF O=c1c(NCc2ccccc2)c(-c2ccc(N3CCOCC3)cc2)c1=O 1772622171 OBMWNDNQAORCEA-UHFFFAOYSA-N 348.402 2.398 0 1 EEAF O=C(O)c1cc(=O)c2cc3c(cc2[nH]1)S(=O)(=O)c1ccccc1-3 169319941 SPMMRFPRCIZHOZ-UHFFFAOYSA-N 327.317 2.040 0 1 EEAF Cc1ncc(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)c(CC2CC2)n1 101550369 VVKAWGAZJLUMCB-KTOGUEJUSA-N 341.455 2.407 0 1 EEAF CCC[C@H](O)CN1CC(C)(C)CN(C(=O)c2ccccc2)CC1=O 105847923 CVNIUFDEVDIDRU-INIZCTEOSA-N 332.444 2.158 0 1 EEAF C[C@@]1(c2cccc(NC(=O)c3ncccc3F)c2)COCC(N)=N1 113655141 NSQDLDKQMKWWRH-KRWDZBQOSA-N 328.347 2.076 0 1 EEAF CCCc1c[nH]c([C@@H]2Cc3cc(OC)ccc3N2C(=O)[C@H](C)N)n1 27519720 ARUVKVSJIGMFGP-ZBEGNZNMSA-N 328.416 2.348 0 1 EEAF CC(=CCO)[C@@H]1Oc2ncc(-c3ccccc3)c(O)c2[C@@]1(C)CO 2356785949 YENMWZZHPMKEFC-PKOBYXMFSA-N 327.380 2.404 0 1 EEAF c1ccc(-n2ncc3c(N4CCCNCC4)nc(C4CC4)nc32)cc1 35990612 SKAUVJWKGRJUIL-UHFFFAOYSA-N 334.427 2.493 0 1 EEAF O=C1Oc2ccccc2C(=O)[C@H]1C[C@H]1C(=O)Oc2ccccc2C1=O 6535860 HIZKPJUTKKJDGA-CHWSQXEVSA-N 336.299 2.213 0 1 EEAF biogenic,in-vitro C[C@@H]1CO[C@@H]2C(=O)C3=C4OC(=O)C5=C4[C@](C)(CCC5=O)CC[C@]3(C)[C@H]12 15265446 NYXWRIOSIQNJKH-VFISBDARSA-N 342.391 2.497 0 1 EEAF biogenic COC(=O)N1CCN(c2ncc(Cl)c(-c3ncccc3C)n2)CC1 142317953 CMDNDIHKFBGOQG-UHFFFAOYSA-N 347.806 2.389 0 1 EEAF CN(C(=O)[C@H]1CC[C@@H](c2ccccn2)NC1=O)C(C1CC1)C1CC1 618013239 OHMAAFLDRCKORR-HOCLYGCPSA-N 327.428 2.296 0 1 EEAF CNC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576040 DUGJLJDSKPPKIW-QAPCUYQASA-N 327.336 2.249 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)C[C@@H]1CN(Cc2ccccc2)C[C@H]1C3 587559534 ZQVBDUXTGWEZSN-HUUCEWRRSA-N 348.406 2.283 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(Cl)ncnc2[nH]1 587231577 PHYMRZPXCPDAKS-ZJUUUORDSA-N 337.811 2.043 0 1 EEAF Oc1cccc2nc(-c3nccnc3I)[nH]c12 587186388 KTQJTKIMDRGPKB-UHFFFAOYSA-N 338.108 2.330 0 1 EEAF O=C1C[C@@]2(C[C@H](C(=O)O)[C@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 587529187 KXKRXTZMYOZFIY-HBCWATKFSA-N 344.363 2.465 0 1 EEAF CN(C)Cc1ccc(-c2cnc(NCc3ccon3)n3cnnc23)cc1 1772601292 GMZCMYWIWIOCBY-UHFFFAOYSA-N 349.398 2.453 0 1 EEAF CN(C)C[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356308521 YSOUPDHCLCMXHM-NUJGCVRESA-N 334.391 2.493 0 1 EEAF CC(C)(C)OC(=O)Cn1ncn(NC(=O)Cc2ccccc2)c1=S 1637803 OEDIASVDYKSZEP-UHFFFAOYSA-N 348.428 2.069 0 1 EEAF O[C@@H](c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1 26008210 HEEFHYAIIXLPFX-IRXDYDNUSA-N 331.322 2.178 0 1 EEAF O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 68206287 LJPSIRPRIUNDAT-JTQLQIEISA-N 342.424 2.479 0 1 EEAF COc1ccc(CCn2c(=S)nc(O)c3[nH]cnc32)cc1OC 36380829 MIJDQJDFYUTOBY-UHFFFAOYSA-N 332.385 2.454 0 1 EEAF COc1cc(-c2cc(=O)c3c(O)cc(O)c(OC)c3o2)c(O)cc1O 14436604 WBCLFMMAMMAOLY-UHFFFAOYSA-N 346.291 2.300 0 1 EEAF biogenic CCOC(=O)[C@H]1CN2C[C@@H](CC[C@@H]2COCc2ccccc2)C1=O 138628901 OLQRAJWMUWOATQ-ZACQAIPSSA-N 331.412 2.046 0 1 EEAF COc1cc(OC)c([C@H]2COc3cc(O)cc(O)c3C2=O)cc1O 49067505 VZMVGODKAYIVEU-SNVBAGLBSA-N 332.308 2.180 0 1 EEAF COC(=O)[C@@H](N)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 40915856 IBGCEAJBKNAHSX-KRWDZBQOSA-N 342.395 2.485 0 1 EEAF OC12CCC(CC1)N(Cc1ccc(F)cc1)[C@@H]2CN1CCOCC1 299851081 DXOONJHOEWMOCZ-JLAWEPINSA-N 334.435 2.016 0 1 EEAF COC(=O)c1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c[nH]1 587438020 KWIZLOCPOBODPO-KZULUSFZSA-N 327.336 2.473 0 1 EEAF O=C(CSc1nc(O)cc(C2CC2)n1)Nc1ccc(C(=O)O)cc1 957853706 CWCQWNXCWKVXTJ-UHFFFAOYSA-N 345.380 2.489 0 1 EEAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ncnn1C)C1CC1 963633341 HVBVOKVMFYBWMQ-ZMZPIMSZSA-N 328.416 2.020 0 1 EEAF CCOC(=O)C[C@@]1(c2cccnc2)NCCc2c1c(C(C)C)nn2C 962917932 MHKREMPTUMDAEE-IBGZPJMESA-N 342.443 2.281 0 1 EEAF O=C(O)[C@@H]1CCCN1[C@H](C(=O)NC1CCCCC1)c1cccnc1 1772623586 HZDVSTDADNBSEI-HOTGVXAUSA-N 331.416 2.121 0 1 EEAF CCCNC(=O)C1(C[C@@H]2CC(c3ccccc3)=NO2)CCNCC1 12726204 FECMNBXDABJEDK-INIZCTEOSA-N 329.444 2.466 0 3 EEAF CCS(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]21 13820205 TVVWINRTHDZMPE-NJAFHUGGSA-N 334.485 2.420 0 1 EEAF O=C1NC(=S)NC1=Cc1ccc(-c2ccc3c(c2)COC3=O)s1 1857742567 FZOUDNFZZSJJBC-UHFFFAOYSA-N 342.401 2.431 0 1 EEAF O[C@@H]1CO[C@H](n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)[C@@H]1O 26494605 JWUSTNLBSHEJLK-UPJWGTAASA-N 344.198 2.168 0 1 EEAF O=C1CC[C@@H]2[C@H]3C[C@@H]4N(CC[C@]45c4ccccc4N1[C@H]25)C/C3=C/CO 59586958 NATQMIMPIXYWIZ-SCJDLFFZSA-N 336.435 2.076 0 1 EEAF biogenic,in-vitro CC(=O)OC(C)(C)CNC(=O)C=CC=Cc1ccc2c(c1)OCO2 2356670499 QGDBWUXDIODTEX-UHFFFAOYSA-N 331.368 2.443 0 1 EEAF O=S(=O)(c1ccc2c(c1)O[C@H]1CNCC[C@@H]21)c1ccccc1F 73274859 CONQSDBWMDPMKW-BBRMVZONSA-N 333.384 2.496 0 1 EEAF COc1ccc(/C=C(NC=O)/C(=C/c2ccc(O)cc2)NC=O)cc1 72111283 TYQOIZVNOQGSQC-BJPQZVBLSA-N 338.363 2.275 0 1 EEAF in-vitro CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCc3cccc(F)c3)n2)C1 82203511 SLRFFVVUAQJYOB-MRXNPFEDSA-N 343.406 2.251 0 1 EEAF COc1ccc(OC)c(Cc2c(C)nc3nc(N)nc(N)c3c2C)c1 45301742 MKBZXSWSJBUBJU-UHFFFAOYSA-N 339.399 2.414 0 1 EEAF CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(C[C@@H]3C[C@H]4CC[C@H]3C4)nc21 253666572 CLZRCWCUPGPJDU-AVGNSLFASA-N 330.432 2.058 0 1 EEAF COCCO[C@H]1CCN(C(=O)c2ccc(C)o2)[C@@H]1Cc1cccnc1 299842873 JPYYMKPQKAMSBN-SJORKVTESA-N 344.411 2.472 0 1 EEAF O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnn2cc(Cl)cnc12 653781554 DGDQOORHICKNFV-AUIDIWKESA-N 346.818 2.052 0 1 EEAF COC(=O)CC[C@H](N)c1nc2cc(Br)c(F)cc2[nH]1 587260204 STOGUDLRWLJGNT-QMMMGPOBSA-N 330.157 2.418 0 1 EEAF CC1(C)CNC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587597766 WFBLPCBPWHNZTE-IFXJQAMLSA-N 339.347 2.249 0 1 EEAF CN(C)C(=O)c1ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1 587961029 HTFGXMSBFMPMNW-UHFFFAOYSA-N 337.379 2.483 0 1 EEAF O=C(N[C@@H]1CCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 118676016 WTHXQDHNQUSBSY-SECBINFHSA-N 328.397 2.089 0 1 EEAF O=C(O)C[C@@H]1SC2=NCCCN2[C@@]1(O)c1ccc(Cl)cc1 169332268 ZSUCTQUJRLBAJE-SMDDNHRTSA-N 326.805 2.137 0 1 EEAF C[C@@H](O)CNCC(=O)N1CCc2cccc(F)c2[C@H]1c1ccccc1 201356781 YBOAGQRKOQWTBB-JLTOFOAXSA-N 342.414 2.270 0 1 EEAF O=C(Nc1nccs1)[C@@]1(C(=O)C2CC2)CC(c2ccccn2)=NO1 203474167 SMCHXANCHGTMAW-INIZCTEOSA-N 342.380 2.019 0 3 EEAF COc1ccc(-n2cc(CN3C(=O)COc4ccccc43)nn2)cc1 1857644897 KWIJASMDSNJSGB-UHFFFAOYSA-N 336.351 2.202 0 1 EEAF Cc1ccc(N([C@H](C)C(=O)O)S(=O)(=O)c2c(C)n[nH]c2C)cc1 2928386 BBGXIIXLBAVXLO-GFCCVEGCSA-N 337.401 2.003 0 3 EEAF Cc1n[nH]c(N)c1-c1nc2ccc(CN3CCN(C)CC3)cc2s1 114398243 MKFQXGRHDIGICT-UHFFFAOYSA-N 342.472 2.324 0 1 EEAF CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)C=C2 58568553 NVTQVVGOPXEHIO-UHFFFAOYSA-N 349.433 2.265 0 1 EEAF CC[C@H](CO)Nc1nc(Nc2ccncn2)c2ncn(C(C)C)c2n1 95594705 IQCJUFCNJOJFEQ-LLVKDONJSA-N 342.407 2.124 0 1 EEAF O=S1(=O)C[C@H]2c3ccccc3CN2CN1CCc1ccccc1 96020164 NHEBMIZXJHAQDX-SFHVURJKSA-N 328.437 2.389 0 3 EEAF O=C(O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)O)[C@H]1c1ccc(O)cc1 255226650 LKRJTULSSBSRAS-BIAGXBKMSA-N 328.320 2.380 0 1 EEAF Cc1c(Br)ccc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c12 587970491 IMSJRVLIFRRTRC-IUCAKERBSA-N 339.145 2.133 0 1 EEAF Nc1ccnc2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc12 587193561 LVGVIIKISVLLIO-UHFFFAOYSA-N 339.399 2.060 0 1 EEAF Nc1nc(O)c2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2n1 587061615 WFZNUVZCSXKDMM-UHFFFAOYSA-N 328.719 2.616 0 1 EEAF COC(=O)c1cccc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c12 587250683 WNCBXDNSLDOARB-UHFFFAOYSA-N 325.324 2.226 0 1 EEAF OCCc1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 587128350 LKPOYOFBDAXCNW-UHFFFAOYSA-N 330.298 2.140 0 1 EEAF C[C@@H]1CNC(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587591537 CSIWAOVTGHNWQB-XNPNBVRTSA-N 339.347 2.249 0 1 EEAF COc1cc2c(c3occc13)[C@@H](O)[C@@]1(O)OC[C@@]23CCC(=O)[C@@H](C)[C@H]13 1772606141 SERNXJFEUDQAPN-KIUDGNPUSA-N 344.363 2.060 0 1 EEAF O[C@@H]1C[C@@H](O)[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]1OCc1ccccc1 169373240 MORPIEPGKNRPKN-ZKXLYKBJSA-N 334.412 2.142 0 1 EEAF C[C@H]1C[C@@H]2[C@H](CC[C@](C)(O)/C=C3/[C@H](O)[C@@H](C)C[C@@]3(O)C1=O)C2(C)C 169373540 ZFDMXNDICCVTAD-GGDZHPHSSA-N 336.472 2.457 0 1 EEAF COC[C@H]1NC(=O)[C@@H](C(=O)Nc2ccc(C3CCCCC3)cc2)C1=O 169727315 DHOFOEWETVBVCF-HZPDHXFCSA-N 344.411 2.003 0 1 EEAF COc1cc(O)c2c(c1)C=CC[C@H](O)[C@H](O)C=CC(C)(C)COC2=O 253731816 BMKXKEIIOWVNSK-LSDHHAIUSA-N 348.395 2.279 0 1 EEAF COc1cccc(CN2CC[C@H](CO)N(C)c3ncccc3C2)c1 2356290633 YGAYUJXUTDKEDF-QGZVFWFLSA-N 327.428 2.293 0 1 EEAF COc1ccc(OC)c(CNc2ncnc3c(C(N)=O)cccc23)c1 114344098 YGBGPKSNWCTBOS-UHFFFAOYSA-N 338.367 2.358 0 1 EEAF Nc1nccc(-c2cc3c(n2CCCC(F)(F)F)CCNC3=O)n1 28970506 DLLYITUMWNUXLX-UHFFFAOYSA-N 339.321 2.156 0 1 EEAF CC(C)(C)OC(=O)N[C@]1(C(=O)OCc2ccccc2)C[C@@H]1CC(=O)O 27881758 SWDHXFPCGSYHIG-SCLBCKFNSA-N 349.383 2.488 0 1 EEAF CN1C(=O)[C@@H]2C[C@@H]3c4ccccc4N[C@H]3N2C(=O)[C@H]1Cc1ccccc1 2356599736 KHODBKYKNABWPA-YSHGAJCASA-N 347.418 2.206 0 1 EEAF O=C1CCC2=C3C[C@H]4N(CC[C@]45c4ccccc4N1[C@@H]25)CC3=CCO 2356810795 BBMRPYMJUQZPKZ-GIVPXCGWSA-N 334.419 2.140 0 1 EEAF CC(C)C1=CC(=O)[C@]2(C)CC[C@]3(C)C(=O)C=C(CO)[C@H](O)C[C@H]3[C@@H]12 15051659 SRUVAUDOCNEFJS-OGIZJXODSA-N 332.440 2.443 0 1 EEAF biogenic N=c1cc(-c2cc3c4c(c2)Oc2ccccc2N=C4NN3)[nH]c(=N)[nH]1 1911579502 ILRFJAQDZUCNRV-UHFFFAOYSA-N 331.339 2.083 0 1 EEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(Nc3ncccn3)cc21 1911580197 RALLCUWIHFDCON-UHFFFAOYSA-N 328.303 2.392 0 1 EEAF COc1cc2c(cc1OC)[C@@]13CCN(C)[C@@H](C2)[C@H]1C[C@@H](OC)C(=O)C3 86007220 KDFCXHYXRVENIS-MJEZEWASSA-N 345.439 2.196 0 1 EEAF CC(=O)Cc1nsc(N2CCN(c3ccc(C(C)=O)cc3)CC2)n1 82052514 OHGKRYZXLKLBDN-UHFFFAOYSA-N 344.440 2.199 0 1 EEAF CC(=O)Nc1cn2nc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1 96283493 DQFGSJLFPXLINL-UHFFFAOYSA-N 336.277 2.351 0 1 EEAF O=C1N=NC(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)=N1 618013494 ULOVVPKIXCCXHB-LLVKDONJSA-N 328.328 2.496 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)Oc3cc(O)ccc31)O2 587407397 IDQCOSFDRNRBCJ-SFHVURJKSA-N 325.320 2.453 0 1 EEAF Nc1ncnc2[nH]c(-c3cnn4cccc(Br)c34)nc12 587006120 CVZBNJJQAJVASY-UHFFFAOYSA-N 330.149 2.012 0 1 EEAF CC1=C(c2ccc3nc(COC(F)(F)F)[nH]c3c2)NNC(=O)C1 587126476 XISOJFAREOADBG-UHFFFAOYSA-N 326.278 2.355 0 1 EEAF Nc1nc(S)c2c(N)n[nH]c2c1C(=O)Nc1ccc(Cl)cc1 5543599 DPJSVYOFNGIODT-UHFFFAOYSA-N 334.792 2.317 0 1 EEAF CN(C)CCCNC(=O)Cc1c(C(=O)O)[nH]c2cc(Cl)ccc12 13821272 YNPIDOWXBWPOFR-UHFFFAOYSA-N 337.807 2.130 0 1 EEAF CC1(C)Oc2ccc3[nH]c4cc(O)c(C=O)cc4c3c2[C@@H](O)[C@H]1O 207902101 GUNFZVNYEJCMLK-IAGOWNOFSA-N 327.336 2.405 0 1 EEAF O=C(NC[C@@H]1CCCO1)[C@@H]1CCC(=O)N1Cc1ccccc1Cl 220933 LYXFRQBJISNWGP-ZFWWWQNUSA-N 336.819 2.126 0 3 EEAF C[C@H]1CCC[C@H](NC(=O)COC(=O)Cc2cn3ccsc3n2)[C@@H]1C 4013708 QPCCSIAUKJVBPE-SCRDCRAPSA-N 349.456 2.422 0 1 EEAF COC1=C[C@@]2(CC(OC)=C1OC)O[C@]21COc2ccccc2C1=O 6018310 VPWNKBLLEAZSJZ-ROUUACIJSA-N 330.336 2.208 0 1 EEAF CN1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]21 107203511 ZRNCWOMUHMKKKS-VYDXJSESSA-N 344.484 2.109 0 1 EEAF CC(C)(C)NC[C@H](O)COc1nc(-c2ccccc2)sc1C(N)=O 27754049 IOFSNTYHAIDNIQ-LBPRGKRZSA-N 349.456 2.037 0 1 EEAF CCCCc1ncc(CNCC(=O)O)n1Cc1ccc(C(=O)O)cc1 26480296 VQDKOWMDOXRRNZ-UHFFFAOYSA-N 345.399 2.146 0 1 EEAF CC[C@@]12CCCN3CCC(=O)c4ccccc4N(C(=O)[C@H]31)[C@H](O)C2 2356561142 QUTCWFPVUVMVTM-AOIWGVFYSA-N 328.412 2.189 0 1 EEAF Cc1c(C=C[C@H](O)C[C@H](O)CC(=O)O)ccc2c1[C@@H](O)C[C@H](C)C2 2356703074 KYDBWGRCKWMGOO-HSHDSVGOSA-N 334.412 2.211 0 1 EEAF COC1=C(C)C(=O)OC1=C(O)[C@H](C)[C@@H]1[C@@H](O)CCCN2CCC[C@@H]12 2356787811 VTPSFGZNDASQAV-SAXRGWBVSA-N 337.416 2.105 0 1 EEAF C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@H](O)[C@@H]1[C@H]2OC(=O)C(C)C 14407323 VSLKGPYHLGIYBG-YXAJHIKPSA-N 336.428 2.471 0 1 EEAF biogenic CCC[C@@H]1CC2=C(OC=CN2)[C@@]2(NC(=O)CC(=O)O)C=CCC[C@H]12 87723422 QUMPRQDHFWLVOC-SNUQEOBHSA-N 332.400 2.405 0 1 EEAF CCNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)scc12 49088292 BRXIZJWGPVZDJE-UHFFFAOYSA-N 348.815 2.433 0 1 EEAF COc1c2c(c3c(c1C(OC)OC)C[C@H](O)OC3=O)CC(C)(C)C2 238763169 CJKTUWVEHDSJGE-GFCCVEGCSA-N 336.384 2.143 0 1 EEAF C=CS(=O)(=O)NC1CCN(c2ccc(Br)cc2)CC1 618020275 WMFITBYQWZCBBC-UHFFFAOYSA-N 345.262 2.481 0 1 EEAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@@H](CO)[C@@H](C)CC 299885553 VQKYQBBROCBSSB-RFUYNDQBSA-N 348.443 2.349 0 1 EEAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587095090 XRRVXFUPSGSMKQ-KBUNVGBDSA-N 329.282 2.416 0 1 EEAF CCCCOC(=O)C[C@@]1(C)NCCc2ccc(C(=O)N(C)C)cc21 962930771 YZWXHTPXDSVTTF-LJQANCHMSA-N 332.444 2.483 0 1 EEAF CCNC(=O)Nc1ccc(-c2nccc(N3CCOCC3)n2)cc1 118741821 DFVJNMHBLGTGAO-UHFFFAOYSA-N 327.388 2.122 0 1 EEAF C[C@@H]1C/C=C/[C@@H](O)[C@@H](O)CC/C=C\c2cc(O)cc(O)c2C(=O)O1 34649226 NHAQNKDEUQPSIX-FGXYAFLCSA-N 334.368 2.118 0 1 EEAF CC(C)N=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=NC(C)C)[nH]1 1857652674 WDSFOQJWJKBMPM-UHFFFAOYSA-N 340.353 2.437 0 1 EEAF O=C(O)C[C@](O)(CSCCCCCCc1ccccn1)C(=O)O 27183833 WIRKJFCDFMYBAL-INIZCTEOSA-N 341.429 2.208 0 1 EEAF Cc1ccc(N2CCN(CCOc3ccccc3C(N)=O)CC2)cc1 103203957 QWWRAVKGUGDYJJ-UHFFFAOYSA-N 339.439 2.295 0 1 EEAF C1CNC([C@H]2CN(C(C3CC3)C3CC3)CCN2C(C2CC2)C2CC2)=N1 29346005 AQQHVXGXHOCTDB-GOSISDBHSA-N 342.531 2.352 0 1 EEAF CC1(C)NC(=O)N(C[C@@H](O)COc2ccccc2C2CCCC2)C1=O 66074847 BCNKEBQQBXYCHE-CQSZACIVSA-N 346.427 2.414 0 1 EEAF COC(=O)CNC(=O)c1ccc([C@@](C)(O)CCCC(C)C)c(O)c1 2356815018 CNNMORSDNGMLJJ-SFHVURJKSA-N 337.416 2.329 0 1 EEAF CC(C)(C)OC(=O)N[C@@]1(C(=O)OCc2ccccc2)C[C@H]1CC(=O)O 27881765 SWDHXFPCGSYHIG-ACJLOTCBSA-N 349.383 2.488 0 1 EEAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)[C@@H]1CCCO1 38278733 ODRLHWKSMWLWIE-WMZOPIPTSA-N 349.390 2.097 0 1 EEAF CN1C(=O)[C@](c2ccsc2)(c2cccc(-c3cncnc3)c2)N=C1N 72177499 GCIHPVGAAJVLEF-GOSISDBHSA-N 349.419 2.235 0 1 EEAF Cc1ccccc1-c1cccc2[nH]c(C(=O)NC[C@H](N)C(=O)O)cc12 43123527 GBMTZHCOBLYJLK-HNNXBMFYSA-N 337.379 2.285 0 1 EEAF C[C@]12C[C@H]1CC[C@@]1(C)[C@@H]3C[C@H]4OC(=O)C(CO)=C4C=C3[C@@H](O)C[C@H]21 138545740 ONNYIOKWWWSKHZ-KJOPNUJFSA-N 330.424 2.354 0 1 EEAF Cc1nc(-c2c(C)noc2C)cc(C2CCN(CCC(N)=O)CC2)n1 618016845 FEIUVYUEDJCMDC-UHFFFAOYSA-N 343.431 2.112 0 1 EEAF O=C1NN=C(c2ccc(OCCCN3CCCCC3)cc2)[C@H]2C[C@H]12 299863891 QBXAXCCPRGKAHT-IRXDYDNUSA-N 327.428 2.411 0 1 EEAF N[C@@H]1C[C@H]1c1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1 653765508 CIBIPCOECWRQSS-DLBZAZTESA-N 339.395 2.366 0 1 EEAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccnc3)c2)c1 653895426 IVBPXGGEMYKABX-UHFFFAOYSA-N 348.362 2.407 0 1 EEAF O=c1cc(-c2ccc3nn[nH]c3c2)[nH]c2c(-c3ccccn3)cnn12 653661733 WFSQOOXXDUTZKE-UHFFFAOYSA-N 329.323 2.023 0 1 EEAF O=C1COc2cc3[nH]c(CC(=O)OCc4ccccc4)nc3cc2N1 587782233 JSCJPBGFBYFILM-UHFFFAOYSA-N 337.335 2.180 0 1 EEAF CN1C(=O)C[C@H]2CN[C@@]3(CCOc4c(N)cccc43)c3cccc1c32 963025274 JSMBBVKKGHVDFD-YUNKPMOVSA-N 335.407 2.348 0 1 EEAF CC[C@H](C)NC(=O)[C@@]1(C)CCC(=O)N1Cc1ccc2c(c1)OCO2 427061 GSASTSAQZDWNAG-KPZWWZAWSA-N 332.400 2.211 0 1 EEAF CC(C)(C)CCNC(=O)[C@@H](CCC(=O)O)NC(=O)c1ccccc1 13447214 JZBNONDMUCTZLW-CQSZACIVSA-N 334.416 2.202 0 1 EEAF NC(=O)c1sc(N)nc1-c1cccc(I)c1 14960929 KIEHPLGZGHVIKH-UHFFFAOYSA-N 345.165 2.096 0 1 EEAF CNC[C@@H](O)CN1CCc2c(cccc2OCc2ccccc2)C1 1857610222 CGJIWTRLYJJMPK-GOSISDBHSA-N 326.440 2.204 0 1 EEAF NC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1ccsc1 1857613607 VJYJCKAOOXIDSZ-UHFFFAOYSA-N 339.420 2.086 0 1 EEAF C[C@@H]1CC(C)(C)NC(=S)N1CCC(=O)NCCc1ccccc1 211946 JXGJPFXWIYCROS-CQSZACIVSA-N 333.501 2.483 0 1 EEAF O=C1C[C@H]2OCCC=C3CN4CC[C@@]56c7ccccc7N1[C@@H]5[C@H]2[C@H]3C[C@@H]46 102337918 JZPQUTFYCZLWNT-BUNANQRPSA-N 348.446 2.483 0 1 EEAF COc1cc2c(cc1O)C[C@H]1[C@H]3CCC(=O)C[C@@]23CCN1C(C)=O 2356427855 PBJNHHVHWVSQDK-SIXWZSSISA-N 329.396 2.185 0 1 EEAF CC(C=C[C@@H]1[C@](C)(O)[C@H](O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C)=CCO 2356523449 RMAJUEUHZWCNQM-JLJUJHICSA-N 338.488 2.416 0 1 EEAF CC[C@@H]1C[C@H](C)[C@H]([C@](C)(O)C=CC(=O)N[C@H](CO)[C@H](C)CC)O1 2356687764 AKQLFHXLRLKXAB-CNVOCDGBSA-N 327.465 2.020 0 1 EEAF CC(C)CCN[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)NC1CCCCC1 2356845200 OCIQLMUVEYZTFY-WCXIOVBPSA-N 340.464 2.216 0 1 EEAF COc1cccc(CC(=O)N2CCc3cccc4c3[C@H]2CNC4=O)c1 45339742 DCGBIYGHABWOMG-QGZVFWFLSA-N 336.391 2.107 0 1 EEAF C/C=C1/CN2[C@H]3C[C@]45C(=O)[C@H]3[C@H]1C[C@H]2[C@@H]4N(C)c1c(OC)cccc15 238765812 WCCNKCFWOIBUOQ-WSHFJXTBSA-N 336.435 2.373 0 1 EEAF CN(CCNc1ccnc(N)n1)C(=O)c1cc2cc(Cl)ccc2[nH]1 96906115 OJYQXZJQOKPSGN-UHFFFAOYSA-N 344.806 2.378 0 1 EEAF CCOC(=O)Cc1cc(O)cc2oc(/C=C/C[C@H](C)O)cc(=O)c12 299850138 ARUOHFOMZRRRLQ-MALLOTDXSA-N 332.352 2.388 0 1 EEAF COC(=O)C[C@H]1CC(=O)N2[C@H](C1)OC[C@H]2Cc1c[nH]c2ccccc12 299838951 PCDKYCYXQIBMAW-WRSAYESZSA-N 342.395 2.237 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1cnc(C)nc1N(C)C)[C@@H](C2)C3=O 587428595 KLWIVGUEUWFANX-YVEFUNNKSA-N 325.368 2.348 0 1 EEAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(S)nc(S)nc2[nH]1 587093112 VMXBQVCOXYDCMB-GSVOUGTGSA-N 337.352 2.060 0 1 EEAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2ccon2)N1 962641581 PQEKGCFCUDIDPA-BXKDBHETSA-N 328.246 2.262 0 1 EEAF CCN(CC)C(=O)N[C@H]1C=C2[C@H]3C=CC=C4NC=C(C[C@H]2N(C)C1)[C@H]43 1772641821 RABVCMHYPLVKSO-SFUIVIKGSA-N 340.471 2.224 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NCC1[C@H]2CC3C[C@H]1CN(C3)C2 101022746 NXFATKJPSQMNCO-ATJQQHLPSA-N 349.862 2.248 0 1 EEAF Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)CN(C)C)C[C@@H]3N4)cc2)c1 100108108 OGQOLYDNZCCCAU-XVAYZXCPSA-N 349.478 2.490 0 1 EEAF NC1(c2ccc(Cl)cc2)CCN(c2ncnc3[nH]cnc23)CC1 29052136 NOMZJDKYYUDNQJ-UHFFFAOYSA-N 328.807 2.461 0 1 EEAF C[C@H]1C[C@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@](C)(O)C=C2[C@@H]1O)C3(C)C 2356513432 ZFDMXNDICCVTAD-XVAGEGTISA-N 336.472 2.457 0 1 EEAF O=C(C=Cc1ccc(O)cc1)O[C@H](Cc1ccc(O)cc1)C(=O)O 2356839547 LVPGCTXCBGXZHO-MRXNPFEDSA-N 328.320 2.350 0 1 EEAF COc1ccc(O[C@]2(C3=NCCN3)COc3ccccc3O2)cc1 26005097 NKBOYISAHBCJCL-GOSISDBHSA-N 326.352 2.243 0 1 EEAF C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C(C)CC[C@@H]3OC(C)=O)[C@@H](OC(C)=O)[C@@H]12 15056235 DNNWITSSRUKCLW-BTWZCHHXSA-N 348.395 2.468 0 1 EEAF biogenic CCN1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 95597955 SKDHGDKDDVZKLD-UHFFFAOYSA-N 340.406 2.488 0 1 EEAF O=c1c(O)c(CN2CCCCCC2)ccn1Cc1ccccc1CO 96173248 SEDQAFVMDOBVEF-UHFFFAOYSA-N 342.439 2.471 0 1 EEAF C/C=C1\CN2[C@H]3C[C@@]45c6cccc(OC)c6N(C)[C@@H]4[C@@H]2C[C@@H]1[C@@H]3[C@@H]5O 238739708 VJDUELIERLHSMS-UOTMXPJYSA-N 338.451 2.165 0 1 EEAF O=C(O)c1ccccc1C(=O)OCc1cccc2c1CCOC2=O 299860094 ZONDUWJBFWLABZ-UHFFFAOYSA-N 326.304 2.455 0 1 EEAF C[C@H]1CN(CC2CCOCC2)C[C@]12CCN(Cc1cccnc1)C2=O 299842130 DMQZHUIUMIVSEI-OXJNMPFZSA-N 343.471 2.179 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC)ncc2[nH]1 587232517 YGQRETGUHCUZHV-RYUDHWBXSA-N 332.404 2.003 0 1 EEAF Oc1nc(O)c2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2n1 587021660 NLYFODAIPPHHCD-UHFFFAOYSA-N 325.353 2.478 0 1 EEAF COc1cc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2cc1OC 587250755 YTBIIOYSTWJSMN-UHFFFAOYSA-N 327.340 2.456 0 1 EEAF N=C(N)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587033746 AIJXNBIDIRLBKS-UHFFFAOYSA-N 339.424 2.327 0 1 EEAF C[C@H](NC(=O)CC(F)(F)F)c1nc2c(S)nc(S)nc2[nH]1 587093116 VMXBQVCOXYDCMB-VKHMYHEASA-N 337.352 2.060 0 1 EEAF Cc1c(O)ccc2c1[C@@]1(CCOc3ccc(O)cc31)N[C@H](C(=O)O)C2 963489960 JJDURCRGJHNMOG-LIRRHRJNSA-N 341.363 2.031 0 1 EEAF COc1ccc2c(c1)[C@H](c1cn(CC(=O)O)cn1)N(C(C)C)CC2 962090582 LTOKNOMMEAJWTL-GOSISDBHSA-N 329.400 2.332 0 1 EEAF CC[C@H](C)N(C(=O)CNc1nnnn1-c1ccccc1)[C@H](C)CC 201451234 PVRHXCVIMCNCBM-OKILXGFUSA-N 330.436 2.500 0 3 EEAF CSCCCNC(=O)c1csc(-c2csc(CCN)n2)n1 1634824 HIVIVZNWQKMPSG-UHFFFAOYSA-N 342.515 2.251 0 1 EEAF c1ccc(CN2CCN(Cc3ccccc3)[C@@H](C3=NCCN3)C2)cc1 58497941 LWONSXGMCCEMHH-HXUWFJFHSA-N 334.467 2.375 0 1 EEAF Oc1ccc2c(-c3ccccc3)cc(CCN3CCNCC3)nc2n1 103281852 SWBBQNPNAHOSMX-UHFFFAOYSA-N 334.423 2.450 0 1 EEAF Cc1nn(CCO)c(C)c1-c1nc2c(C)[nH]n(-c3ccccc3)c-2n1 103594001 NRWFNTYAGWMEGJ-UHFFFAOYSA-N 336.399 2.481 0 1 EEAF Cc1nc(-c2ccc(CN3CCC[C@H](N(C)C)C3)cc2)[nH]c(=O)c1F 23338948 IHNTWTRRCTXVOV-INIZCTEOSA-N 344.434 2.410 0 1 EEAF COc1cc(O)c2c(c1)O[C@@H](c1ccc(OC)c(C)c1)[C@@H](O)C2=O 2356601086 IKRSYTWAXFVNFF-ROUUACIJSA-N 330.336 2.395 0 1 EEAF CC(C)(C)CC(=O)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 5415806 PQUYJKXKIMDJIT-OAHLLOKOSA-N 343.427 2.098 0 1 EEAF biogenic COc1cc2c(cc1O)CCN1C(=O)c3cncc([C@H](C)O)c3C[C@H]21 13309752 ARFLVLFKQGMNQG-MGPLVRAMSA-N 340.379 2.145 0 1 EEAF biogenic CC(C)c1cnc(CN(C)[C@@H]2CCN(CCc3cnn(C)c3)C2)o1 78892164 KDIQIYVCRBIMND-MRXNPFEDSA-N 331.464 2.280 0 1 EEAF COc1cc(C(=O)c2ccc(OC)c(O)c2OC)cc(OC)c1O 72125188 KKVYLWBGLUIERC-UHFFFAOYSA-N 334.324 2.363 0 1 EEAF COC[C@@H](C)Nc1nc(N2CCC(N3CCCC3)CC2)ncc1C 82203321 QGLFXGSVZMEDHC-OAHLLOKOSA-N 333.480 2.296 0 1 EEAF COc1ccc([C@@H]2COc3cc(O)cc(O)c3C2=O)c(OC)c1OC 37538889 AWVBLGIHLGQXOY-NSHDSACASA-N 346.335 2.483 0 1 EEAF biogenic COc1cc(CCC(=O)N2CCC(c3cncc(C)n3)CC2)on1 299850451 HCNVLWLPTQIDDW-UHFFFAOYSA-N 330.388 2.120 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(CCc4nc(N)sc4C1)[C@@H](C2)C3=O 587451988 MBAHYSFPRDGNMA-DYZYQPBXSA-N 328.393 2.409 0 1 EEAF Clc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1Cl 209660738 IMNQHPJWYDWAFX-UHFFFAOYSA-N 342.230 2.318 0 1 EEAF COc1ccc(-c2c[nH]ccc2=NS(=O)(=O)C(F)(F)F)cc1 1772604795 FXGKNJIVHOAGPG-UHFFFAOYSA-N 332.303 2.441 0 1 EEAF CCc1cccc(C)c1N1C[C@@H](c2nc(C(=O)NC)c(C)[nH]2)CC1=O 19642279 AOSXQNLYOJKNIX-AWEZNQCLSA-N 340.427 2.469 0 1 EEAF COc1ccc(OC)c([C@H]2Cc3cnc4nc(N)nc(N)c4c3C2)c1 1661564 YOLHTVAOHBQPOC-VIFPVBQESA-N 337.383 2.089 0 1 EEAF C[C@@H]1C(=O)[C@@]23[C@@H](CC[C@H]1[C@H]2O)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]3O 2356405005 DGJOOPBLQWTUNK-GAAXTHKFSA-N 336.472 2.147 0 1 EEAF Cc1sc2nc(C3CC3)nc(NCCNS(C)(=O)=O)c2c1C 4388380 DOFJOAXPUOQJPL-UHFFFAOYSA-N 340.474 2.147 0 3 EEAF C[C@@H]1CCC[C@H](O)[C@H](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 2356415911 BDYVVSINDMFZGR-DFBGVHRSSA-N 336.384 2.342 0 1 EEAF C[C@@]12C=C[C@]3(CC[C@@H]4[C@@]5(CO[C@](O)([C@H](O)C5)[C@@]4(C)CO)[C@H]3CC1)C2 103554684 JVFZGJYTYHORIN-OERBZUQBSA-N 334.456 2.227 0 1 EEAF biogenic,in-vitro COc1ccc(C=CC(=O)NCCc2ccc(O)c(OC)c2)cc1O 2356684461 QGYGWYUQPCKNKZ-UHFFFAOYSA-N 343.379 2.487 0 1 EEAF Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(CCCN)CC2 28572095 VCWWLXBGTFUNRS-ZDUSSCGKSA-N 335.448 2.193 0 1 EEAF O=C(c1ccnc(N2CCO[C@H](C(F)(F)F)C2)c1)N1CCCC1 71752719 JRWZMISGVQYQBF-LBPRGKRZSA-N 329.322 2.085 0 1 EEAF CC(C)n1c(=O)n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3)c2ccccc21 43015501 WRUHWXYQMLEWKR-PBWFPOADSA-N 328.416 2.225 0 1 EEAF O=C(c1csnn1)c1c(CO)oc2cc(Br)cnc12 587275878 GYZNOLICKFLGAK-UHFFFAOYSA-N 340.158 2.165 0 1 EEAF O=C1CSC[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)N1 587044418 VXCPMYVRGODFTR-QMMMGPOBSA-N 330.182 2.369 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@]2(C(=O)O)CC[C@H]1C2(C)C 587406032 DAXBTKCMEQDMOL-BKTGTZMESA-N 343.379 2.371 0 1 EEAF COC(=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2n1 587158932 ZDSRMLMKAOJFKY-DYZYQPBXSA-N 326.331 2.225 0 1 EEAF CC[C@@H](OC(=O)c1ccco1)C(=O)NCc1ccc2c(c1)OCO2 15935919 CNBDTPFBLUYRBU-GFCCVEGCSA-N 331.324 2.260 0 3 EEAF Cc1cc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc(C)c1O 1857560254 WSHRCZWQFFUBMC-UHFFFAOYSA-N 347.378 2.452 0 1 EEAF C[C@H]1CC=CCC[C@H](O)CC(=O)Cc2cc(O)cc(O)c2C(=O)O1 2356334212 BOOGYPBXHOLWJD-AAEUAGOBSA-N 334.368 2.246 0 1 EEAF CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)Cc1ccco1 6998674 LDZWDRRONMFIMU-UHFFFAOYSA-N 340.401 2.222 0 3 EEAF C[C@@H](O)[C@@H](C)OC(=O)[C@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1 100057142 GOHDSZGHAHFEHG-ZHIYBZGJSA-N 342.439 2.440 0 1 EEAF in-vitro CC[C@@H](C)[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1 28114429 KXLGGGVERDOKEQ-WBMJQRKESA-N 343.431 2.463 0 1 EEAF CC(C)(C)CCN[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cnc3ccccc32)[C@H]1O 2356678874 WKAYACFEBOATIJ-DZVNLGKHSA-N 345.443 2.088 0 1 EEAF CC(=O)OCC(C)(C)C(=O)[C@@H](O)CC=CC=CC(C)(C)[C@H](C)O 2356845115 OBNXFUAUNSQGAC-ZFWWWQNUSA-N 326.433 2.415 0 1 EEAF COc1cc(C(=O)c2sc(N(C)C)nc2N)cc(OC)c1OC 73141834 SCAQCVXFLXDNGL-UHFFFAOYSA-N 337.401 2.048 0 1 EEAF COc1cc(/C=C/C(=O)NCc2ccc(O)c(OC)c2)ccc1O 34752205 RJCXJPCBPIHWJJ-VMPITWQZSA-N 329.352 2.445 0 1 EEAF Nc1ncnc2c1ncn2CCC[C@@H](c1ccccc1)P(=O)(O)O 31851667 KPQNRANKHHQHDH-LBPRGKRZSA-N 347.315 2.108 0 1 EEAF O=C1C=C[C@H](O)[C@@H]2[C@@H]1[C@@H](O)CCC21Oc2cccc3cccc(c23)O1 14852245 XKRWQYCVELDJFF-KODHJQJWSA-N 338.359 2.194 0 1 EEAF biogenic CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(O)c1 1911585651 WZROWSGBENWGCI-HNNXBMFYSA-N 349.456 2.062 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@]4(O[C@@H]4C)[C@@H]1C[C@H]23 85567328 JUZLBWLURBHBPB-MGZKBVSLSA-N 338.407 2.042 0 1 EEAF Cc1ccc(-c2c[nH]/c(=N\C(=O)C3=NNC[C@@H]3c3ccccc3)[nH]2)cc1 95563933 PCOCQJJDLMWVCW-MRXNPFEDSA-N 345.406 2.489 0 1 EEAF COc1ccc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)cc1 587560072 WKEXMKJFHDJPRN-UHFFFAOYSA-N 341.323 2.129 0 1 EEAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cnc(O)s2)N1 962969319 QFXPLOIBYVDQJP-HQJQHLMTSA-N 346.742 2.469 0 1 EEAF CN(CCCc1ccccc1)CCn1c(=O)[nH]c2ccccc2c1=O 13731482 ULOJYEHKTAVUSD-UHFFFAOYSA-N 337.423 2.254 0 1 EEAF CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)CSc1nc(N)cc(=O)[nH]1)C2 18202617 IUIQTJUIJMODHN-XQJJYNOISA-N 337.445 2.202 0 1 EEAF Oc1c2c(c(O)n1-c1nnc(Cc3ccc(F)cc3)[nH]1)CC=CC2 169688157 CVOGIKOJXZTTHG-UHFFFAOYSA-N 326.331 2.391 0 1 EEAF CCCc1nnc(SCC(=O)N2CCCC2)n1C[C@@H]1CCCO1 1355862 VKJOHKFFMOETSW-ZDUSSCGKSA-N 338.477 2.124 0 3 EEAF COc1ccc(S(=O)(=O)Nc2c(O)oc3ccccc3c2=O)cc1 101783654 COUZTFSBZDNOQU-UHFFFAOYSA-N 347.348 2.308 0 1 EEAF C[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]12CO[C@H](O)[C@@H]1C(C)(C)CC[C@H]2OC3=O 2356654193 WSRQDGKCDIHPPB-GILZKWLSSA-N 348.439 2.305 0 1 EEAF Cc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@H]2CC(=O)O 2356870686 XTSPJYQSTDOCQB-LYLMJZQMSA-N 339.457 2.342 0 1 EEAF CC1=NN(c2ccccc2)[C@@]2(C1)NC(N)=Nc1nc3ccccc3n12 73199547 BIFOHDNJLUSULU-SFHVURJKSA-N 331.383 2.482 0 1 EEAF O=C(Cc1ncc[nH]1)N1CCC(c2nc(-c3cccs3)no2)CC1 71317884 LGZPXQJQXCSFNB-UHFFFAOYSA-N 343.412 2.470 0 1 EEAF CN1CC[C@@H](NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 142948678 GCYGDWWBMNPQIH-LLVKDONJSA-N 340.305 2.189 0 1 EEAF C[C@@]1([C@@H](O)CO)C=C2CC[C@H]3[C@@](C)(C[C@@H](O)C[C@@]3(C)CO)[C@H]2CC1 85644562 NRYNTARIOIRWAB-DSWGTCOTSA-N 338.488 2.252 0 1 EEAF biogenic,in-vitro Cn1c(=O)c2c(cc(OCc3ccc4ccccc4c3)n2C)n(C)c1=O 95593144 YYJBFSNDZBRUFS-UHFFFAOYSA-N 349.390 2.308 0 1 EEAF COC(=O)Nc1nc2nc(C(=O)c3ccc(O)c(OC)c3)ccc2[nH]1 299855347 AXHSCFLEHMEYIE-UHFFFAOYSA-N 342.311 2.081 0 1 EEAF CN(c1ccc(-c2csc(-c3c[nH]nc3N)n2)cc1)S(C)(=O)=O 587923776 NHNXCNJFBFUYKB-UHFFFAOYSA-N 349.441 2.178 0 1 EEAF CCS(=O)(=O)c1ccc2nc(-c3nc(Cl)cnc3N)[nH]c2c1 587086796 LYKSWXUFHALGJF-UHFFFAOYSA-N 337.792 2.049 0 1 EEAF N[C@@H](Cc1nc2ncc[nH]c-2n1)c1ccc(Br)cc1F 587144617 OWEKEAFDGYYFNE-JTQLQIEISA-N 336.168 2.449 0 1 EEAF COc1ccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1OC 587926106 IGECNFGEJVBPBZ-UHFFFAOYSA-N 336.355 2.147 0 1 EEAF CCOC(=O)[C@H]1CN(C2c3ccccc3-c3ccccc32)C(=O)C1=O 13820667 WLPFNWYHPFIHDQ-INIZCTEOSA-N 335.359 2.347 0 1 EEAF COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(OC)c(O)c3)oc2c1 13838627 CELGBKOELNGZSJ-UHFFFAOYSA-N 346.291 2.300 0 1 EEAF biogenic CO[C@H]1C=CC2=CC(=O)N3CCCc4cc5c(cc4[C@]23C1)OCO5 14692288 LSHGROWWKJBPBW-LIRRHRJNSA-N 325.364 2.300 0 1 EEAF biogenic O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1ccc(Cl)cc1 169294926 USPKYYZDABFFSZ-JNWWKETESA-N 342.782 2.038 0 1 EEAF COC[C@@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 204414028 ZSRMLZRXUWZZKL-CQSZACIVSA-N 341.333 2.259 0 1 EEAF COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1cccc(O)c1 1857651006 NAMNWXPGONDKLO-JEJOPICUSA-N 341.363 2.012 0 1 EEAF O=C1CC(C[C@H](O)[C@H]2CCCC[C@H]2O)CC(=O)N1Cc1ccccc1 1616369 UBXPBIRQRWKPMB-KSZLIROESA-N 345.439 2.254 0 1 EEAF C[C@]12COC3=C1[C@](C)(CC[C@@H]2O)[C@@]12CC[C@@](O)(CO)[C@@H](C[C@@H]1C3)C2 2356324630 KVGFQYDNKYGNLD-CJLUXWPPSA-N 334.456 2.372 0 1 EEAF CCOc1ccc2c(c1)n1ncc(C(=O)c3cccs3)c1n[n+]2[O-] 29057642 QVHHIXYCBYRTFH-UHFFFAOYSA-N 340.364 2.207 0 1 EEAF CCn1c(=O)n(Cc2nc3ccccc3n2CCO)c2ccccc21 38142850 VRJSPQKOXXLCGB-UHFFFAOYSA-N 336.395 2.213 0 1 EEAF CCCN(CCC)CCNc1n[n+](=O)c2cc3c(cc2n1O)CCC3 49111242 CRCXAHGBXDSDRJ-UHFFFAOYSA-N 346.455 2.211 0 1 EEAF O=C(CCc1ccccc1)N[C@H](Cc1nc2ccccc2[nH]1)C(=O)O 45350154 AZXJPZVGZBWZMA-MRXNPFEDSA-N 337.379 2.308 0 1 EEAF in-vitro CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(N)=O)C(C)C)cs1 82070212 OIBPXWKYRPYQDF-CQSZACIVSA-N 347.440 2.449 0 1 EEAF CC(C)[C@H]1CCc2cnnn2COC[C@@H](c2ccccc2)NC1=O 95663489 BLLMHWIQWHTLMU-SJORKVTESA-N 328.416 2.328 0 1 EEAF O=C(O)c1ccccc1/C=C/c1nc2ccc(-n3cnnn3)cc2[nH]1 586880245 OXDURMOMFXWATN-VMPITWQZSA-N 332.323 2.407 0 1 EEAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3ncncc3[nH]2)cc1 586939926 UNFWUVOIPMBRER-SNVBAGLBSA-N 331.401 2.097 0 1 EEAF C[C@]1(c2cc[nH]n2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962959036 DHNBBVBZIOHXSI-YMTOWFKASA-N 327.718 2.204 0 1 EEAF C[C@H]1C/C=C\[C@@H](O)[C@@H](O)CC/C=C\c2cc(O)cc(O)c2C(=O)O1 169348247 NHAQNKDEUQPSIX-BZLHVLQVSA-N 334.368 2.118 0 1 EEAF CCCCN1CCC(c2nc3cncc4c3n2CCNC4=O)CC1 1857555256 QYCLZIQHPGBRDE-UHFFFAOYSA-N 327.432 2.154 0 1 EEAF O=C1N[C@H](C(=O)O)Cc2cn(cn2)CC=CCc2ccc(Cl)c1c2 1857626702 CRJZTXVLJWNQDW-HNNXBMFYSA-N 345.786 2.075 0 1 EEAF CC[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc2c(c1)OCO2 1857656915 KQHILMIBIVHSHC-ZDUSSCGKSA-N 334.397 2.372 0 1 EEAF Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1 3638 HOIUTDBGOMHLBQ-UHFFFAOYSA-N 334.339 2.426 0 1 EEAF COc1ccc(CCCCCC(=O)O)cc1Cc1cnc(N)nc1N 3641204 LJRZTUYWOPFKKK-UHFFFAOYSA-N 344.415 2.428 0 1 EEAF CO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 103639351 HGJOWSAEGMQXGR-RHIYTYFCSA-N 330.344 2.407 0 1 EEAF CCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O 103264000 PHDXQAYAXMWXSQ-UHFFFAOYSA-N 342.399 2.287 0 1 EEAF NS(=O)(=O)c1ccc(-c2cc([C@H]3C[C@@H]4CC[C@@H]3N4)cnc2F)cc1 101556264 LSPFRPGGOBZZFJ-BJJXKVORSA-N 347.415 2.143 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCNC[C@@]12CC[C@@H]2C 27745330 RUANMLJUIUPQED-UDTVLSCZSA-N 337.851 2.439 0 1 EEAF CS(=O)(=O)c1ccc(C(=O)c2ccc3n2CCC[C@@H]3C(=O)O)cc1 25988648 VGTNPOYXDZICHT-ZDUSSCGKSA-N 347.392 2.085 0 1 EEAF C[C@]1(O)CO[C@@H]2C=C(COC(=O)C=Cc3ccc(O)cc3)CC[C@H]21 2356465820 IUVKFRYCDSXZIC-LMMKCTJWSA-N 330.380 2.435 0 1 EEAF O=C(Nc1ccccc1)c1cc([C@@H]2COCCN2C(=O)C2CC2)on1 61895632 HJQVPNKWSVDEGB-HNNXBMFYSA-N 341.367 2.237 0 3 EEAF CC(C)(C)OC(=O)NCCCCOc1ccc(S(N)(=O)=O)cc1 215713355 ULDQAZFJSXNRJO-UHFFFAOYSA-N 344.433 2.018 0 1 EEAF in-vitro Nc1cc(N2CCC[C@@](Cc3ccc(F)cc3F)(C(=O)O)C2)ncn1 71765212 LEXMEJFTENROBA-KRWDZBQOSA-N 348.353 2.251 0 1 EEAF COC1CCN(c2ncnc(Nc3cccc(NC(C)=O)c3)n2)CC1 72106692 SVRVOJYAOQTIMN-UHFFFAOYSA-N 342.403 2.189 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCn3nc(C(=O)O)cc31)O2 587394429 GZQBKUUMBGBYCA-KRWDZBQOSA-N 327.340 2.126 0 1 EEAF CS(=O)(=O)/C=C\c1nc2c(Cl)c(Br)cnc2[nH]1 586923758 USQICDPVPWRCQL-IHWYPQMZSA-N 336.598 2.389 0 1 EEAF CCOC(=O)CCOCCCOCCc1nc2c(C)ccnc2[nH]1 587568862 OGZCKXSEWMXUFK-UHFFFAOYSA-N 335.404 2.185 0 1 EEAF Cc1csc([C@@](O)(Cc2nc3c(N)ccnc3[nH]2)C(F)(F)F)n1 587094173 LOTHQRCGWPSUAM-LBPRGKRZSA-N 343.334 2.298 0 1 EEAF CN(C)CCOc1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1 586894052 YORTYJZLDLXKFF-QGZVFWFLSA-N 327.384 2.291 0 1 EEAF CC1(C)OC(=O)C(c2nc3cc(Br)cc(F)c3[nH]2)=C1N 587255840 ZDBNGDSZFIDLKJ-UHFFFAOYSA-N 340.152 2.470 0 1 EEAF CCn1c(=O)n(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 914431282 MZRKHUUDDHJVHS-ZSOGYDGISA-N 328.416 2.006 0 1 EEAF COc1ccccc1CNC(=O)Nc1cc2[nH]nc(OC)c2cn1 1772634405 ZJJYHROCWMATQK-UHFFFAOYSA-N 327.344 2.297 0 1 EEAF O=C1N=c2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc2=N1 1772606199 UAZJCRMACKXKGY-LPHOPBHVSA-N 345.402 2.394 0 1 EEAF O=C(O)c1ccccc1NCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 18061326 TWRXIBCJDHRIIO-ZYHUDNBSSA-N 334.759 2.272 0 3 EEAF O=C1c2ccccc2S(=O)(=O)N1C[C@H]1CC(c2cccs2)=NO1 1857569222 YPMBTZWFMDTVIO-SNVBAGLBSA-N 348.405 2.086 0 1 EEAF C[C@@H](O)c1onc(-c2cccnc2)c1C(=O)N(C)Cc1cccnc1 2356303485 WHZFKIFAQKVZLA-GFCCVEGCSA-N 338.367 2.457 0 1 EEAF N=C(N)c1ccc(OC[C@@H]2C[C@H]2COc2ccc(C(=N)N)cc2)cc1 6535303 HJMSSCHZEZQMCK-GJZGRUSLSA-N 338.411 2.349 0 1 EEAF Cc1nnsc1C1=NN[C@H]2SC(C(Cl)(Cl)Cl)=NN12 103215574 AJJFYSYXUHCPMZ-ZCFIWIBFSA-N 343.652 2.127 0 1 EEAF O=C(C1CCCCC1)N1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 8295638 UTUAMVLZPPKZAC-INIZCTEOSA-N 341.411 2.246 0 1 EEAF biogenic CC(C)(O)[C@H]1OC(=O)c2cc(O)c3[nH]c4ccccc4c3c2[C@H]1O 13399155 JGJWXQATUAEENP-CVEARBPZSA-N 327.336 2.370 0 1 EEAF biogenic C/C=C1\CN2[C@H]3C[C@]45C(=O)[C@H]3[C@H]1C[C@H]2[C@@H]4N(C)c1c(OC)cccc15 238744874 WCCNKCFWOIBUOQ-NIYGMEBFSA-N 336.435 2.373 0 1 EEAF O=C1NN(c2ncnc3sc4c(c23)CCC4)C(=O)[C@@H]2CCCC[C@@H]12 618012508 NMMBQLVIFKDWPW-NXEZZACHSA-N 342.424 2.364 0 1 EEAF COc1ccc(NC(=O)[C@@H]2OC(c3cccs3)=NN2C(C)=O)cc1 299852844 YFCYCPNVXVVYII-INIZCTEOSA-N 345.380 2.262 0 1 EEAF CC(C)(C)OC(=O)N1CCN(CCc2cccc3c2CC(=O)N3)CC1 299854563 ABUFQEJQVYVITO-UHFFFAOYSA-N 345.443 2.276 0 1 EEAF CC(C)(C)C(=O)/C=c1/[nH]c(=O)/c(=C/c2ccc(O)c(Cl)c2)s1 101720777 QMLHDNFQAFVZMM-FFNMSDODSA-N 337.828 2.020 0 1 EEAF O=C(Nc1ccc(F)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651908 RFFADWKJNGIFGT-UHFFFAOYSA-N 345.717 2.468 0 1 EEAF N[C@@H](C[C@@H](C/C=C/c1ccc(OC(F)(F)F)cc1)C(=O)O)C(=O)O 13808443 HBIISIAARBTBHY-QNDCKANFSA-N 347.289 2.491 0 1 EEAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2nccs2)CC[C@@]1(C)O 2356320925 ZGIQAXZKTRGSNA-RCCFBDPRSA-N 345.468 2.346 0 1 EEAF Nc1cccc(OCCCNC[C@H]2COc3ccc(O)cc3O2)c1 3779080 XQRSLRUXPXVCRY-INIZCTEOSA-N 330.384 2.173 0 1 EEAF Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1 29047884 ZYZWFDVXMLCIOU-UHFFFAOYSA-N 348.366 2.469 0 1 EEAF CCOC(=O)c1ccc(CNc2ccc3nc(N)[nH]c(=O)c3c2)cc1 27654005 CVHOXXJKKMQSEF-UHFFFAOYSA-N 338.367 2.294 0 1 EEAF COc1ccc(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1OC 28711736 URWWHQGURDNZSZ-GANFFNEQSA-N 327.380 2.401 0 1 EEAF O=C1N[C@H](CO)[C@@H](c2ccc(O)cc2)O[C@H]1c1c[nH]c2ccccc12 14618904 XVQKMMBQSFYTQX-KURKYZTESA-N 338.363 2.163 0 1 EEAF biogenic CCOC(=O)C1=CCN(S(C)(=O)=O)[C@H]1c1ccc(Cl)cc1 199358163 OQZGQBIULRIQPG-ZDUSSCGKSA-N 329.805 2.146 0 3 EEAF CN1CCCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1 45352685 IWZVONVJJGAFAZ-UHFFFAOYSA-N 338.459 2.281 0 1 EEAF N[C@]1(c2nc3c(S)nc(S)nc3[nH]2)C[C@@H]1c1ccccc1F 587154431 NXILQWIJWMXOAD-NXSYQRQQSA-N 333.417 2.411 0 1 EEAF Nc1nc(O)c2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2n1 587093754 SPEFKJTXVCLRAK-UHFFFAOYSA-N 342.306 2.357 0 1 EEAF COC(=O)c1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cn1 586924403 PUEXBHBTXDNQOK-FPLPWBNLSA-N 343.364 2.189 0 1 EEAF CCOC(=O)C(=O)[C@@H]1CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587399174 ISEVCJNWRHMUHA-KPZWWZAWSA-N 331.368 2.214 0 1 EEAF CC(=O)O[C@@H](C(=O)NCc1nc(C)c(C)nc1C)c1ccccc1 59111692 PCZJISFNQBEFDX-QGZVFWFLSA-N 327.384 2.322 0 1 EEAF Cc1ccc2c([C@H](CC(=O)O)c3c(O)n[nH]c3C)cc(=O)oc2c1 1772650973 QWMUGNZFYZGPSJ-LBPRGKRZSA-N 328.324 2.445 0 1 EEAF Cc1cc2oc(=O)c(/C=C/C(=O)N3CCC=CC3=O)c(O)c2cc1C 1772577430 BPAQQKIBSQFQFN-VOTSOKGWSA-N 339.347 2.444 0 1 EEAF O=C(NCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)C1=O 1772644284 HVVOGAROODVDTJ-KRWDZBQOSA-N 336.391 2.382 0 1 EEAF O=C1C=C[C@H](O)[C@@H]2[C@@H]1[C@H](O)CCC21Oc2cccc3cccc(c23)O1 14852242 XKRWQYCVELDJFF-SPLQCWDRSA-N 338.359 2.194 0 1 EEAF biogenic COc1ccc(/C=C2\C[C@@](CO)(COC(=O)C(C)(C)C)OC2=O)cc1 1857749725 DDHFNAASWMLNPJ-CECLQJIQSA-N 348.395 2.346 0 1 EEAF O=C(N[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 3933601 SWLGIXHESZQGPK-MAUKXSAKSA-N 334.485 2.336 0 1 EEAF C[C@]12COC3=C1[C@](C)(CC[C@@H]2O)[C@@]12CC[C@](O)(CO)[C@@H](C[C@H]1C3)C2 2356324631 KVGFQYDNKYGNLD-FCQHVOIWSA-N 334.456 2.372 0 1 EEAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@@H]2NC(=O)c2ccccc2C)cc1 2356287113 ZZTRXYGFGXHTOJ-INDMIFKZSA-N 341.407 2.011 0 1 EEAF CCOC(=O)[C@H]1Cc2ccccc2N1C(=O)[C@H](C)C[C@@H](C)C(=O)O 28264188 FYGXHTCBEFEFEV-LALPHHSUSA-N 333.384 2.254 0 1 EEAF COC(=O)[C@H]1[C@H](OC(=O)C=Cc2ccccc2)C[C@H]2CC[C@H]1N2C 2356648049 MQIXMJWNEKUAOZ-YFHUEUNASA-N 329.396 2.267 0 1 EEAF CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2cnccc21 38692367 KYBXMCTVFYOUEH-UHFFFAOYSA-N 329.425 2.431 0 1 EEAF CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(C)=O 14826952 CCWSYXLJKBFVDL-DLBZAZTESA-N 346.335 2.500 0 1 EEAF biogenic CN(Cc1cccc(-c2ccc(N3CCOCC3)cc2)c1)C(=O)CN 142804708 VFNUCVOJQCPDBB-UHFFFAOYSA-N 339.439 2.107 0 1 EEAF COc1cc(C2=NCC(=O)N3CCc4c(OC)cccc4C3=C2)ccn1 149163197 VWVNXKONKNIJFU-UHFFFAOYSA-N 349.390 2.327 0 1 EEAF CNCc1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2)n1 299863865 LSNWTAQWJOEDIO-UHFFFAOYSA-N 327.409 2.425 0 1 EEAF CC1(C)[C@@H](Cn2cnc3c(NC4CC4)nc(N)nc32)CC[C@@]1(C)CO 653830181 AEGVUCALKOJXBA-ZMZPIMSZSA-N 344.463 2.418 0 1 EEAF C[C@@]1(c2nc3c(O)nc(S)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175463 ZBOCCUYTNHWUAU-HNNXBMFYSA-N 346.343 2.115 0 1 EEAF CN(Cc1nc2cc(F)cc(F)c2[nH]1)S(=O)(=O)c1cccnc1 586928938 OQTXUUQVIKZDBU-UHFFFAOYSA-N 338.339 2.057 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(N)=O)cc1)O2 587388535 DISWFYDOFOSPHI-MRXNPFEDSA-N 326.352 2.148 0 1 EEAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586908694 CQYZYOBKHKLQBL-DOMZBBRYSA-N 337.445 2.486 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)O)[C@H](C(=O)O)C1 587488993 LWDPIHTUZRFTKO-KSPBDQMDSA-N 348.351 2.244 0 1 EEAF COC(=O)C1=C[C@]2(CC1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962764194 KWSZZTKLTISENV-BBRMVZONSA-N 339.313 2.421 0 1 EEAF CC(C)c1nn(C)c2c1[C@@](C(=O)O)(c1c[nH]c3ccccc13)NCC2 962914344 FMZLTABNFIYTBS-LJQANCHMSA-N 338.411 2.499 0 1 EEAF N=C(N)c1ccc2[nH]cc(C(=O)NCCCCCCC(=O)O)c2c1 13764983 DFKPPACAEPPOSH-UHFFFAOYSA-N 330.388 2.217 0 1 EEAF CC(C)N(CCO)c1ccc2[nH]c(=O)c(Cc3ccccc3)nc2n1 233267 MWQIWYWGNCNELN-UHFFFAOYSA-N 338.411 2.116 0 1 EEAF CCCN(C1=N[C@H]2CS(=O)(=O)C[C@@H]2S1)c1ccccc1F 6803864 NMMHGXRBIWGBTM-AAEUAGOBSA-N 328.434 2.311 0 1 EEAF CC1(C)C[C@@H]2C[C@](C)(CN2S(=O)(=O)c2cccc(C(N)=O)c2)C1 101056307 VQKKFQDGZVDKJW-DYVFJYSZSA-N 336.457 2.375 0 1 EEAF CN1CCN(C2=Nc3c(Cl)cccc3Nc3nn(C)cc32)CC1 26575524 YWNBIWYKHZHOMI-UHFFFAOYSA-N 330.823 2.456 0 1 EEAF O=S(=O)(c1ccccc1)n1cnc2c(-c3ccco3)ncnc21 28477233 BPAPLPANPYUKAL-UHFFFAOYSA-N 326.337 2.323 0 1 EEAF COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2OC)cc1OC 2356545990 VTFBVXOENQUZIV-ROUUACIJSA-N 346.335 2.446 0 1 EEAF CC(C)c1cnc(CN(C)[C@H]2CCN(CCc3cnn(C)c3)C2)o1 78892171 KDIQIYVCRBIMND-INIZCTEOSA-N 331.464 2.280 0 1 EEAF COC(=O)[C@H](Cc1ccccc1)O[P@](=O)(O)[C@@H](N)CC(C)C 98209673 MZRFVGOVBKFRCQ-UONOGXRCSA-N 329.333 2.304 0 1 EEAF in-vitro COc1cc2c(cc1O)[C@@H]1Cc3ccc4c(c3C[C@H]1NC2)OCO4 238763562 GXFZPZAWQYQWSW-LSDHHAIUSA-N 325.364 2.484 0 1 EEAF COc1ccc(C)cc1NCCCc1nc2c(O)nc(O)nc2[nH]1 587228354 BNTFMAMLYYYPDL-UHFFFAOYSA-N 329.360 2.126 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)cc1 586950561 IXNUYDDPSWVLOO-AWEZNQCLSA-N 345.384 2.325 0 1 EEAF CN(C)C(=O)c1ccc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c2c1 586926219 MDKXBSNWNCWYIC-UHFFFAOYSA-N 343.408 2.335 0 1 EEAF CC[C@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586888414 IVQIQTQTPMZLRB-CXAGYDPISA-N 349.456 2.487 0 1 EEAF CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)nc2n(CCC)c1=O 12405288 JRWGEHUXXHRROS-UHFFFAOYSA-N 342.399 2.382 0 1 EEAF COc1c(O)cc2c(c1O)[C@H]1Oc3cc4c(cc3[C@@H]1CO2)OCO4 14648559 PCVFSIAOIHIYNK-PWJLMRLQSA-N 330.292 2.445 0 1 EEAF endogenous,in-man CC(=O)NCc1ccc(OC[C@@H](O)CNC(C)(C)C)c(Cl)c1 169335388 UUFWIAFSPMGWOK-ZDUSSCGKSA-N 328.840 2.104 0 1 EEAF COc1cc2c(c(C(=O)NC3C[C@H]4CC[C@H](C3)N4C)c1)O[C@@H](C)C2 169343059 HEGCNUMCFQIISG-NILFDRSVSA-N 330.428 2.374 0 1 EEAF COC(=O)c1ccc2c(c1)NC(=O)CN2Cc1ccc(OC)cc1 1857771220 GEVHWKAHPPZBAM-UHFFFAOYSA-N 326.352 2.441 0 1 EEAF C[C@@H]1C(=O)[C@@]23C[C@H](O)[C@@H]4[C@](C)(CO)CCC[C@@]4(C)C2=CC[C@@]1(O)C3 2356337264 WVGFQNIYXUJDEE-MREHAKMSSA-N 334.456 2.213 0 1 EEAF CO[C@H]1[C@H](C)CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 58539406 NOVHLOPMNWBHNB-BMIGLBTASA-N 338.795 2.311 0 1 EEAF O=S(=O)(NCCNC1CCCCC1)c1cccc2cnccc12 27557612 QNBBURBWIUTBGI-UHFFFAOYSA-N 333.457 2.435 0 1 EEAF CC(=CC(=O)O)C=C(C)C[C@H](C)C=CCC[C@@H](O)[C@@H](CO)C(=O)O 2356423656 AENCTEDXCKWQHS-DAXOMENPSA-N 340.416 2.380 0 1 EEAF Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2ccccc2)o1 114079384 ZNFBXTCTSGUQHW-UHFFFAOYSA-N 337.383 2.184 0 1 EEAF CCCCCCn1c(=O)nc(NCc2ccccc2OC)[nH]c1=O 64511808 RSSPSZUPOMGVCS-UHFFFAOYSA-N 332.404 2.133 0 1 EEAF CC(C)NC[C@@H](O)COc1ccc(SCCn2cccn2)cc1 27559678 VMJMCQXWQZIHJH-OAHLLOKOSA-N 335.473 2.413 0 1 EEAF CC(=O)OCC(C)(C)C(=O)C[C@H](O)C=CC=CC(C)(C)[C@H](C)O 2356810193 AXDICNFRLXYFCS-DZGCQCFKSA-N 326.433 2.415 0 1 EEAF CCn1nc(C)c(CCNc2cc(C3CCNCC3)ncn2)c1C 39360006 GELKJGKATOIQTP-UHFFFAOYSA-N 328.464 2.431 0 1 EEAF COCCN(C)C(=O)C[C@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 74373815 KVWNJLLUSGYRSG-MRXNPFEDSA-N 339.823 2.175 0 3 EEAF C[C@@H]1O[C@H](SCCC23CC4CC(CC(C4)C2)C3)[C@H](O)[C@H](O)[C@@H]1O 72184505 HWVMUFHBNMDWTI-HSEFBHSKSA-N 342.501 2.154 0 1 EEAF O=C(COc1ccc2c(c1)CCN1C(=O)CC[C@@H]21)N1CCCCC1 95578427 RCXNYRWRWBVCOG-KRWDZBQOSA-N 328.412 2.298 0 1 EEAF CN(c1ccnc(Cl)n1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 141998069 KZTYLBQIWZBZGN-SNVBAGLBSA-N 329.795 2.116 0 1 EEAF CCOC(=O)c1c[nH]nc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438364 FFRQRZWYOHEZNR-QLJPJBMISA-N 328.324 2.084 0 1 EEAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4nc(O)[nH]c4cc3[nH]1)C2 587246607 HYAAFYKJOPZGAA-IBGZPJMESA-N 349.394 2.496 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1cccc(OCC(N)=O)c1)[C@@H](C2)C3=O 587432927 NPTIBRGQXNAVNK-IFXJQAMLSA-N 339.347 2.048 0 1 EEAF CCOC(=O)C[C@]1(c2cnccn2)CC(=O)c2cc(C)cc(N)c2O1 587394111 QOFXKNULZLHHTD-SFHVURJKSA-N 341.367 2.181 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N)nc2)N1 587748270 VZYRGYYDEJDVSS-CPFSXVBKSA-N 337.196 2.584 0 1 EEAF O=C(NCCc1nc2cnc(Cl)[nH]c-2n1)OCc1ccccc1 587228608 UFOSZUFEUNKACI-UHFFFAOYSA-N 331.763 2.427 0 1 EEAF CCOC(=O)[C@H](C)[C@]1(C(F)(F)F)NCCc2c(C(=O)O)cccc21 963120265 FUDJNXZZKDQDEY-VFZGTOFNSA-N 345.317 2.487 0 1 EEAF Cc1nc([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)no1 962731436 RWQJAICOTQBRBS-SMDDNHRTSA-N 325.290 2.287 0 1 EEAF Cc1c(O)ccc2c1[C@@](c1ccccc1)(C(C)(C)N)N[C@H](C(=O)O)C2 963486944 ACVSNMNRNDIBCU-YWZLYKJASA-N 340.423 2.280 0 1 EEAF O=C(CCP(=O)(O)O)N(Cc1ccccc1)c1cccc(O)c1 1772653238 OVOOAWXWMRLEPY-UHFFFAOYSA-N 335.296 2.493 0 1 EEAF CN1C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1Cc1c[nH]c2ccccc12 13429877 XTHCOAZHAYZMDV-RBUKOAKNSA-N 347.418 2.279 0 1 EEAF biogenic Cc1ccc(F)cc1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OCC(C)C 1014209 OMTCSMHLFFDIBF-UKRRQHHQSA-N 338.379 2.300 0 1 EEAF COc1cccc(CN2CC[C@H](CO)N(C)c3cccnc3C2)c1 2356289920 DIXWGMIHJOMMBD-MRXNPFEDSA-N 327.428 2.293 0 1 EEAF CN1CCN(c2nc3ccccc3nc2OCc2ccccn2)CC1 29053572 AKDNVXCTPRWAGV-UHFFFAOYSA-N 335.411 2.356 0 1 EEAF O=C(Cc1ccc(Cl)cc1)N1CCNC[C@H]1COc1cccnc1 114580328 IHKNOFQSZSFHIL-INIZCTEOSA-N 345.830 2.157 0 1 EEAF CO[C@H]1C(=O)N2c3c(csc3-c3ccccc3)CS(=O)(=O)[C@H]12 27761777 IPFZXVFOVARRFA-SWLSCSKDSA-N 335.406 2.031 0 1 EEAF Cn1cc(-c2cnn3c(N)c(C4CC4)c([C@H]4CCCNC4)nc23)cn1 43152802 SRYUEFQETIIMNO-LBPRGKRZSA-N 337.431 2.056 0 1 EEAF O=S(=O)(NCc1nc2ccccc2[nH]1)c1ccc(F)c(F)c1F 320327644 FWWDFXJGGVMYKV-UHFFFAOYSA-N 341.314 2.459 0 1 EEAF CCC(=O)O[C@H]1C=CC2=C(C[C@@H]3C(=O)[C@@H](C)C[C@]24NCCC[C@@H]34)N1 238734163 OTVQDHKZSDXNFH-ZTQJHCERSA-N 330.428 2.046 0 1 EEAF Cc1cccnc1-c1nnc2n1CCN(C(=O)c1ccc(F)cc1)C2 299866917 WYPPHWNOKDZWJK-UHFFFAOYSA-N 337.358 2.444 0 1 EEAF C[C@@H](O)Cc1nc2c(Br)cnc(Br)c2[nH]1 586890245 NKMLYAXKYPUJDN-SCSAIBSYSA-N 334.999 2.406 0 1 EEAF NC(=O)c1cccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 587052234 LFXYEWUFFSJBMR-LLVKDONJSA-N 330.775 2.263 0 1 EEAF COc1cc2c3c(c1)O[C@]1(CCC[C@H]1CC(=O)N(C)C)[C@@H](C2)C3=O 587429138 NUDQPHAROWHGNB-PJFSTRORSA-N 329.396 2.460 0 1 EEAF CCS(=O)(=O)c1ccc2nc(C(C)(C)SCC(=O)O)[nH]c2c1 586960012 UUYXYYLJJXIJBS-UHFFFAOYSA-N 342.442 2.409 0 1 EEAF Cc1csc([C@@](O)(Cc2nc3ccnc(N)c3[nH]2)C(F)(F)F)n1 587094681 SRVKBPWAXKAFJL-LBPRGKRZSA-N 343.334 2.298 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(O)ncn1 587868666 OGISVCJMWVIQHG-UHFFFAOYSA-N 337.261 2.457 0 1 EEAF COc1ccc2c(c1OC)[C@](C)(CN1CCN(C)CC1)N(C)[C@@H](C)C2 962642189 YRDMYKIQFUAJSJ-YWZLYKJASA-N 347.503 2.043 0 1 EEAF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)c2ccccc2-c2n[nH]cc21 963487842 DYEQGLZORUZFBQ-OXJNMPFZSA-N 347.374 2.295 0 1 EEAF C/C(=C\COc1ccc2ccc(=O)oc2c1)[C@H](O)[C@@H]1C[C@@H](C)C(=O)O1 15212266 PAARGKWPJAUKIO-YYISEXQESA-N 344.363 2.431 0 1 EEAF CCCCN(CC)CCCNC(=O)C[C@@H]1Nc2ccccc2NC1=O 4056890 CLMITHKNQUAEQC-KRWDZBQOSA-N 346.475 2.438 0 3 EEAF COC(=O)C(C(=O)OC)[C@@H]1O[C@]23COC=C[C@]2(C)[C@H]3c2ccccc21 102887586 PMTNJZPBVCGODU-RGCFKVTRSA-N 344.363 2.106 0 1 EEAF O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1c1ccccc1 101160550 LSOYXQNUXDKICV-UHFFFAOYSA-N 332.319 2.443 0 1 EEAF CC(C)(C)OC(=O)N[C@]1(C(=O)OCc2ccccc2)C[C@H]1CC(=O)O 27881772 SWDHXFPCGSYHIG-FZKQIMNGSA-N 349.383 2.488 0 1 EEAF COc1ccccc1CO[C@@]1(C2=NCCN2)COc2ccccc2O1 26003554 RHDLGBNKNCAKHF-IBGZPJMESA-N 340.379 2.381 0 1 EEAF CONS(=O)(=O)CCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 66114083 BRKXUMURIRIUAZ-ZDUSSCGKSA-N 343.445 2.013 0 1 EEAF CCOCn1c(Cc2ccc(F)cc2)c(C(C)C)c(=O)n(O)c1=O 66103418 RQKFSLIATQHRSU-UHFFFAOYSA-N 336.363 2.095 0 1 EEAF CCCOc1cc(OC)c(/C=C2\NC(=O)NC2=O)c(OC)c1Cl 64235632 WABOOAARSBSVSO-TWGQIWQCSA-N 340.763 2.326 0 1 EEAF Cc1nc(N)nc(-n2c(Nc3cc(O)cc(O)c3)nc3ccccc32)n1 71329671 ONHIMGKUIUZJBD-UHFFFAOYSA-N 349.354 2.256 0 1 EEAF COc1ccc([C@@H]2Oc3cc(OC)cc(OC)c3[C@H](O)[C@@H]2O)cc1 14643082 PGWNAUWORYYLLS-BZSNNMDCSA-N 332.352 2.240 0 1 EEAF biogenic O=C(C[S@](=O)C1c2ccccc2-c2ccccc21)N1CCOCC1 84757952 LBBZDTQTOWOOME-XMMPIXPASA-N 341.432 2.364 0 1 EEAF NC(=O)c1c(N)nc(OC2CCCC2)nc1O[C@H]1CCCC[C@H]1F 84654676 RZOBFPPQBGMJTQ-MNOVXSKESA-N 338.383 2.139 0 1 EEAF Cc1cc(Nc2nn(C[C@H]3CCCNC3)c(=O)c3ccccc23)[nH]n1 40975595 UTJCWHWJCSFLDV-ZDUSSCGKSA-N 338.415 2.171 0 1 EEAF COC(=O)c1ccnc2[nH]c(C[C@H]3CCc4occc4C3=O)nc12 586906727 HBPWSGJQFVJAMM-SECBINFHSA-N 325.324 2.325 0 1 EEAF COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@H]2[C@H]3C(=O)[C@@H]4[C@H]5[C@H]3C[C@H]2[C@H]5[C@H]41 587446980 JHPDOUQWYHKSFC-WBIPOZLKSA-N 334.371 2.138 0 1 EEAF CCOC(=O)[C@@H]1C[C@H](C(C)C)Cc2cc3c(O)nc(O)nc3nc21 587559554 KLOMRNIYGCFPRJ-MWLCHTKSSA-N 331.372 2.301 0 1 EEAF COc1ccc([C@H](O)c2cn(Cc3cccc(OC)c3)nn2)cc1 1772637777 DLRZQEBUNQLWGY-SFHVURJKSA-N 325.368 2.425 0 1 EEAF CC(=O)OCC(C)=CCc1ccc(O)c2c1[C@@H](C[C@@H](O)C(C)=O)OC2 2356322762 ASYOOCLMBQIAEO-QZTJIDSGSA-N 348.395 2.355 0 1 EEAF CCOC(=O)[C@H]1C[C@@H](/C=C/Cl)[C@H]([C@H](CC(C)C)NC(C)=O)N1 28522097 BPQWSTFFTRGAHO-ODDHXFCVSA-N 330.856 2.200 0 1 EEAF CC(C)NC[C@@H](O)COc1ccc(C[S@@](=O)CC2CC2)cc1 25967289 KALNDAPKXOYQKD-OPAMFIHVSA-N 325.474 2.083 0 1 EEAF OCC[C@H]1CN(Cc2cccc3c2OCO3)CCN1C1CCCC1 20202682 JJPYDYBPZUXWLA-KRWDZBQOSA-N 332.444 2.227 0 3 EEAF CC1=CC[C@@H]2[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@@H](OC(=O)C(C)C)C[C@@]2(C)O 2356594596 WJNZGUAPRXHHKP-KTILGSALSA-N 336.428 2.469 0 1 EEAF C[C@@H]1C(=O)[C@]23[C@@H](O)[C@@H]1C[C@H]1OC[C@]4(CCCC(C)(C)[C@H]4C[C@H]2O)[C@@H]13 504617454 LTTPBOKKKVOQID-NOKAXZIDSA-N 334.456 2.165 0 1 EEAF biogenic O=c1[nH]ccc2c(Cc3nnc4ccc(N5CCCC5)nn34)cccc12 73196446 VZXIWLYXYXMRFO-UHFFFAOYSA-N 346.394 2.157 0 1 EEAF C[C@@H]1O[C@@H](OCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 219955493 GEMAYWCAMMUVTD-KLZNWCGWSA-N 332.437 2.455 0 1 EEAF in-vitro COc1ccc2nc(NC3=NC[C@]4(CN5CCC4CC5)N3)sc2c1 210819006 VQIQZCGEEUIMJL-QGZVFWFLSA-N 343.456 2.140 0 1 EEAF CC(C)[C@@H]1OC(=O)C=C2[C@]13O[C@H]3[C@@H]1OC(=O)[C@@]3(C)C=CC[C@]2(C)[C@@H]13 14676539 NGMZHPQMBVXJMC-HSTZUDBKSA-N 330.380 2.160 0 1 EEAF biogenic CCN(C)c1ncc(C(=O)N2CCOCC2)c(-c2ccc(F)cc2)n1 82139516 RVMDGQIUMVOVLR-UHFFFAOYSA-N 344.390 2.211 0 1 EEAF COc1cccc2c1C(=O)c1ccc3c(c1[C@@H]2O)C(=O)C[C@](C)(O)C3 473153104 YRKOFHPWOUTOGA-WOJBJXKFSA-N 338.359 2.201 0 1 EEAF CC(C)Oc1cc2c(cc1NC(=O)C1CCOCC1)n(C)c(=O)n2C 653827689 MRMDSRBFFVVOCR-UHFFFAOYSA-N 347.415 2.029 0 1 EEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCCO3 586960326 AZPBIAYSPIKISA-ZETCQYMHSA-N 345.384 2.265 0 1 EEAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(N)ncc2[nH]1 587147639 AFPNCEKAKXALPF-UHFFFAOYSA-N 327.298 2.281 0 1 EEAF COc1n[nH]c2cc(NC(=O)N[C@@H]3COc4ccccc4C3)ncc12 1772615416 ZODRRIQVBRSSPH-NSHDSACASA-N 339.355 2.092 0 1 EEAF O=C(Nc1cccc(N2CCC(N[C@H]3CCOC3)CC2)c1)C1CC1 12248083 MHNVQVKNNDJSNZ-KRWDZBQOSA-N 329.444 2.382 0 1 EEAF CC[C@H](C)[C@@H]1C[C@@H]([C@H](C)CC)C=C1[C@@H](O)C[C@@H](O)[C@@H](O)C(=O)O 14858355 RKOUCPMGBBKLNK-KYALSADBSA-N 328.449 2.199 0 1 EEAF endogenous,in-man CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(N)c3)cc21 14954301 JKABLSMROTXCMJ-UHFFFAOYSA-N 337.343 2.458 0 1 EEAF CCCCCn1nnnc1[C@@]1(C)CSCC(=O)N1Cc1ccco1 203465401 PUBCLULJBWEDGO-MRXNPFEDSA-N 349.460 2.447 0 3 EEAF CC1(C)CN(C(=O)c2ccccc2)C[C@H]2CN(CC3CC3)CCN21 2356303580 YIASPPRUJVWDRF-GOSISDBHSA-N 327.472 2.317 0 1 EEAF CC[C@@H](CCNC)CCNCCCCNCCC1CCNCC1 26377720 XPCMNUGZLSJWCU-SFHVURJKSA-N 326.573 2.361 0 1 EEAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3cccnc3Cl)c2n1 28571593 AVDMQRIHFUCXBX-UHFFFAOYSA-N 347.810 2.011 0 1 EEAF CC=C1CO[C@H](O)[C@@H]2[C@H]3Cc4c([nH]c5ccc(O)cc45)[C@@H](C[C@@H]12)N3 2356603197 BAVRLOVTOBIXTQ-QFFBLRJASA-N 326.396 2.360 0 1 EEAF COc1ccc2nc(C[C@@H]3CN(C(C)=O)CC[C@H]3CC(=O)O)[nH]c2c1 2356744983 UFQWVPAYPQVNFA-QWHCGFSZSA-N 345.399 2.073 0 1 EEAF COC(=O)C1=C(N2CC=CC2)[C@H]2c3ccccc3S[C@@]12C(=O)OC 34819626 JOOFCOJJOMBCNM-FZKQIMNGSA-N 343.404 2.100 0 1 EEAF CCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@@H](CC)N2 82207392 VKXNAPOKYYEKDF-GFCCVEGCSA-N 334.445 2.298 0 1 EEAF O=C(Nc1ccc([C@H](O)CO)nc1)c1cc2cc(Cl)ccc2[nH]1 40955659 GFYOSCHAHROFSJ-OAHLLOKOSA-N 331.759 2.494 0 1 EEAF O=c1cc(-c2ccc3c(c2)OCO3)[nH]c2c(Cc3ccccn3)cnn12 653630343 JZTTXXBFKZWAOU-UHFFFAOYSA-N 346.346 2.404 0 1 EEAF Nc1cc(C(=O)O)ccc1Cc1nc2cc3c(cc2[nH]1)OCCO3 587248911 BSZAKZFHEDFNSD-UHFFFAOYSA-N 325.324 2.205 0 1 EEAF Cn1c(S(C)(=O)=O)nc(-c2ccc(F)cc2)c1-c1ccnc(N)c1 1772648829 UPRPBZZEPBJJGB-UHFFFAOYSA-N 346.387 2.274 0 1 EEAF O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)c1ccncc1 12130500 YYOXGYYXOYFSQW-OAHLLOKOSA-N 332.363 2.272 0 1 EEAF CC(C)Oc1ncccc1CNC(=O)n1sc2ncccc2c1=O 169711342 TWRSGEXZNYNUAP-UHFFFAOYSA-N 344.396 2.398 0 1 EEAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(N=c1cco[nH]1)c2=O 1857566337 VFSUAKYNPKYPLY-UHFFFAOYSA-N 334.763 2.016 0 1 EEAF O=C(CCn1nnc2ccccc21)N1CCN(c2ccccc2)CC1 1357148 BYQVYWPLPNBNJP-UHFFFAOYSA-N 335.411 2.170 0 3 EEAF C[C@@H]1CCC[C@H](O)CCC[C@H](O)Cc2cc(O)cc(O)c2C(=O)O1 2356377995 RUKNLXKLHDXQSW-XBFCOCLRSA-N 338.400 2.262 0 1 EEAF CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1 29221604 CUKZFXPYGLVPOB-KRWDZBQOSA-N 327.380 2.225 0 1 EEAF C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@H](CC[C@@H]3O)[C@]12C[C@@H](c1ccco1)OC2=O 2356552258 KKPKVOMMNGLUGV-USLUUYPZSA-N 344.363 2.287 0 1 EEAF C=C[C@]1(C)C[C@H](OC(=O)C(=C)CO)[C@@H]2[C@H](C)C(=O)O[C@H]2[C@@H]1C(=C)C 14449910 BQAVYYQJSBGQAO-LRUNOYCJSA-N 334.412 2.413 0 1 EEAF biogenic NCc1noc(-c2nn(Cc3ccc4c(c3)OCO4)c3ccccc23)n1 40401780 VHKUSJSIQBRTTA-UHFFFAOYSA-N 349.350 2.322 0 1 EEAF COc1cc(O)c2c(c1)O[C@@H](c1ccc(OC)c(O)c1)[C@H](OC)C2=O 29037479 UMLUSIZQABTJOI-ZWKOTPCHSA-N 346.335 2.446 0 1 EEAF biogenic Cc1cc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2cc1F 586930312 QJIVVLZBPOECHU-UHFFFAOYSA-N 333.388 2.443 0 1 EEAF C[C@H](F)[C@@H](N)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587124755 OYABASLILFTMTA-SSDLBLMSSA-N 325.287 2.214 0 1 EEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Cl)c(F)cc2[nH]1 587202039 BANPVGWSHLCXEL-GFCCVEGCSA-N 340.786 2.434 0 1 EEAF COC(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2n1 586923994 CZLCLUIITCYPDH-MDZDMXLPSA-N 343.364 2.189 0 1 EEAF Nc1nc(O)c2nc(-c3ccccc3OCc3cscn3)[nH]c2n1 587029320 OBECYVNKFHBWBM-UHFFFAOYSA-N 340.368 2.343 0 1 EEAF CCOc1ncn(-c2ccc(NC(=S)Nc3ncccn3)cc2)n1 5499926 QPUFOGKHBLQGSH-UHFFFAOYSA-N 341.400 2.265 0 1 EEAF O=C(Cc1ccccc1F)N1CCC(n2nnc3ncccc32)CC1 201449332 QQHWOSPYABFROD-UHFFFAOYSA-N 339.374 2.372 0 3 EEAF COc1cc(OC)c([C@@H]2COc3cc(O)cc(O)c3C2=O)cc1C=O 2356408287 AFLPFCWUFZPOET-LBPRGKRZSA-N 344.319 2.286 0 1 EEAF Cc1nn(-c2ccccc2)nc1-c1nnc(-c2snnc2C)o1 103218682 GMWZCTDTYNQXFN-UHFFFAOYSA-N 325.357 2.453 0 1 EEAF CCCn1c(=O)n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 26143345 OAZOOTIRHCWITI-GOOCMWNKSA-N 342.443 2.396 0 1 EEAF CC(C)(O)CN1CC(C)(C)CN(C(=O)CCc2ccccc2)CC1=O 105847961 IXZQGFKQJFOOAB-UHFFFAOYSA-N 346.471 2.087 0 1 EEAF COc1ccc(-n2cc(CN3C(=O)c4ccccc4C3=O)nn2)cc1 29127883 TTWYTGALEGMSMV-UHFFFAOYSA-N 334.335 2.072 0 1 EEAF CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)CC/C=C\Cc2ccccc21 36389192 LBRGXKIEUSFACK-MMBVMTPSSA-N 330.380 2.463 0 3 EEAF COc1ccccc1CC(=O)N1CCc2cccc3c2[C@H]1CNC3=O 45339746 BAXKWKQFMJVMKI-MRXNPFEDSA-N 336.391 2.107 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1C[C@H](O)[C@@H]1[C@H]3C[C@@H](C[C@H]12)OC3=O 238766608 OEIFXOHVCYVTGK-HXKCJTCDSA-N 346.379 2.223 0 1 EEAF Cc1cc(CN2CC[C@@H]3C(=O)N(c4ccsc4)CCO[C@@H]3C2)no1 299843620 VBKQLEOIYQCAIZ-JKSUJKDBSA-N 347.440 2.298 0 1 EEAF CS(=O)(=O)c1ccccc1-n1ncc2ccc(Cl)cc2c1=O 587653500 AYFMJARSJNSVTG-UHFFFAOYSA-N 334.784 2.443 0 1 EEAF COc1cc2c3c(c1)OC1(CCN(C(=O)C4CC4)CC1)[C@@H](C2)C3=O 587440440 ZSDXFHZFHRSASD-AWEZNQCLSA-N 327.380 2.214 0 1 EEAF COC(=O)c1ccnc2[nH]c([C@H](N)Cc3ccc(O)c(Cl)c3)nc12 587051415 CMPDFTKIJAOXFY-LLVKDONJSA-N 346.774 2.346 0 1 EEAF N[C@@H]1Cc2c(Cl)cccc2[C@@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962892882 FEDIEJOVOQXNFN-HDMKZQKVSA-N 346.789 2.205 0 1 EEAF COc1ccc(OC)c(N(C)Cc2coc3nc(N)nc(N)c23)c1 5850087 VQKKJBBJXLPRIS-UHFFFAOYSA-N 329.360 2.041 0 1 EEAF CN1CCN(CCCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 19367808 QBNSFPUTIZQTEI-UHFFFAOYSA-N 338.459 2.319 0 1 EEAF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2O)c(N)c1 169307677 MTYZDVZBVJJHQD-UHFFFAOYSA-N 333.340 2.240 0 1 EEAF CNC(=O)c1ccc(OCc2c([C@@H]3CCCCN3)noc2C)nc1 169685410 MNKIXDTWNLOCFY-AWEZNQCLSA-N 330.388 2.131 0 1 EEAF CC(C)N1C(=O)N(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)[C@@H]2C=CC=C[C@H]21 1857604063 RBZWLTFAHPUPNO-SLUKUZTOSA-N 344.459 2.330 0 1 EEAF COc1cc(C(=O)O[C@H]2CC[C@@H]3CC[C@@H]2N3C)cc(OC)c1OC 101473433 RCYQXSCEIUPTHM-IHRRRGAJSA-N 335.400 2.494 0 1 EEAF Oc1ccc(C(=S)NNC(=S)Nc2ccc(F)cc2)c(O)c1 103167870 XBWHGEUMNZWJJZ-UHFFFAOYSA-N 337.401 2.404 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45c6ccc(OC)cc6N(C)[C@@H]4[C@H]2C[C@H]1[C@@H]3[C@@H]5O 2356781838 JNJWVFXAUHZWHI-IDLKRIRRSA-N 338.451 2.165 0 1 EEAF Cc1nc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cs1 71318930 YWTBVNNLKOBPFL-UHFFFAOYSA-N 329.307 2.139 0 1 EEAF CN1C(=O)[C@@](c2ccsc2)(c2cccc(-c3cnccn3)c2)N=C1N 72179416 NXXHXFSKVSTXAG-SFHVURJKSA-N 349.419 2.235 0 1 EEAF CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](CC)N2 82207400 LNDWEWADQJDEGA-ZDUSSCGKSA-N 346.406 2.375 0 1 EEAF O=C(N1CCCC1)N1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@H]21 299842399 PDTXYSPXDZIIDZ-BRWVUGGUSA-N 331.416 2.046 0 1 EEAF Fc1ccc(-c2cnc3nnn(Cc4n[nH]c5ncccc45)c3n2)cc1 299818821 ARNKXFZQMPFVOP-UHFFFAOYSA-N 346.329 2.347 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncnn2C)N1 587759738 MMDQRGGODSYNRL-JMCQJSRRSA-N 325.185 2.340 0 1 EEAF O=C1c2ccccc2CN1c1cccc(-c2nncn2C[C@@H]2CCO2)n1 1772605041 CKJGUCDHDJGQAC-AWEZNQCLSA-N 347.378 2.289 0 1 EEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Oc1ccccc1 13153500 LSSXITVLSRQODU-GZHKEPGYSA-N 337.375 2.035 0 1 EEAF CCOc1ccc(CNc2nc3nc4c(c(O)n3n2)CCC4)cc1 4905128 NRWHCQUIPNSWCH-UHFFFAOYSA-N 325.372 2.329 0 1 EEAF CCCn1c(=O)n(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 101207599 OAZOOTIRHCWITI-GJZGRUSLSA-N 342.443 2.396 0 1 EEAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(C(C)C)C(=O)[C@@]31C 2111322 SBXQWFNPAKZBJX-LJQANCHMSA-N 341.411 2.027 0 1 EEAF biogenic CC(C)=CC(=O)O[C@@](C)(CO)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 13334912 AEOWACICBRVUEL-APWZRJJASA-N 344.363 2.357 0 1 EEAF biogenic C[C@H](c1ccccc1)n1cnc(=O)c2sc(N3CCOCC3)nc21 84733409 GHFWZRSCUXYMRA-GFCCVEGCSA-N 342.424 2.299 0 1 EEAF CC[C@H](C)[C@@H](NC[C@@H](O)COc1ccccc1)C(=O)N1CCCC1 473240726 RBOIAMGOOLGCGW-LZLYRXPVSA-N 334.460 2.053 0 1 EEAF O=C1NN=C(c2ccc(OCCCN3CCCCC3)cc2)[C@@H]2C[C@H]12 299863892 QBXAXCCPRGKAHT-SJORKVTESA-N 327.428 2.411 0 1 EEAF FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587088136 JIQWJWWNDFTYSR-VIFPVBQESA-N 331.330 2.288 0 1 EEAF CCOC(=O)C(=O)[C@H]1CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587439944 DVIALYUYXSDINC-VLXJIEOASA-N 344.363 2.114 0 1 EEAF Cc1cc(CN(C)C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)on1 15065742 FIQIIQLMOIZHCV-IBGZPJMESA-N 349.475 2.349 0 1 EEAF COc1cccc2ccc(CN3CCN(c4ncccn4)CC3)nc12 19837453 DKNLEOMOLPWPPO-UHFFFAOYSA-N 335.411 2.356 0 1 EEAF O=C1c2cc(COc3ccccc3)nn2CCN1c1ncc(F)cn1 205323157 NAXOZSWVZBCFEI-UHFFFAOYSA-N 339.330 2.052 0 1 EEAF C[C@H]1CC=C[C@@H](O)[C@@H](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 253806616 NHAQNKDEUQPSIX-TUKIKUTGSA-N 334.368 2.118 0 1 EEAF CCOC(=O)Cc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 1642077 NVQLKQAIYMIBLM-UHFFFAOYSA-N 348.362 2.139 0 1 EEAF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4049318 PWBQLCUKFHNBBC-OWQGQXMQSA-N 341.411 2.438 0 1 EEAF COc1cccc2c1c(C(=O)NC1C[C@@H]3CCC[C@@H](C1)N3C)nn2C 101316614 OIVVFYLMLVRCHQ-KBPBESRZSA-N 342.443 2.327 0 1 EEAF Cc1ccc2nc3c(O)n(CC(=O)NCc4ccco4)ncc-3c2c1 101786610 IFQJZCRGJZMUMG-UHFFFAOYSA-N 336.351 2.460 0 1 EEAF C[C@]12C[C@@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@@H]1[C@@H]3C[C@@H](C[C@H]12)OC3=O 100780915 QEANLIISUSNNDX-MCENDCTCSA-N 344.363 2.383 0 1 EEAF endogenous,in-man Cc1cc(C)cc(Sc2c(C)c(=O)[nH]c(=S)n2OCCO)c1 103186230 BZFNVENPLJCWAV-UHFFFAOYSA-N 338.454 2.403 0 1 EEAF O=C(O)c1cn(-c2nccs2)c2nc(N3CCCC3)ccc2c1=O 26250919 DBOGWENJTHKNQG-UHFFFAOYSA-N 342.380 2.141 0 1 EEAF O=C(C1CCOCC1)N1CC[C@@H]2COC(=O)N2c2ccccc2C1 2356688964 TUOHBGNYPLYEKT-OAHLLOKOSA-N 330.384 2.171 0 1 EEAF COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@H](c3ccncc3)[C@H]1C2 73168578 GXWKICGJRDYLKP-SUMWQHHRSA-N 338.367 2.111 0 1 EEAF CCOC(=O)c1c(C)oc2cc(OS(=O)(=O)O)c(OC)cc12 43062185 YYHONBZLXFFDAS-UHFFFAOYSA-N 330.314 2.108 0 1 EEAF O=C(O)c1c(NC(=S)N2CCOCC2)sc2c1CCCC2 42919905 QSLQSQZYSXBNDQ-UHFFFAOYSA-N 326.443 2.354 0 1 EEAF C[C@]1(c2nc3c(O)nc(S)nc3[nH]2)C=C(c2ccccc2F)NO1 587157056 RIEKBVAXFRKXFG-OAHLLOKOSA-N 345.359 2.277 0 1 EEAF O=Cc1ccc(OCCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587566838 YVANQHWHOYQUPW-UHFFFAOYSA-N 337.335 2.328 0 1 EEAF COc1c(F)cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1F 587133874 GBKMQIVIMIQNHZ-UHFFFAOYSA-N 339.323 2.164 0 1 EEAF CCOC(=O)[C@@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436026 MFLSNUHJPNZILG-BFUOFWGJSA-N 339.347 2.296 0 1 EEAF COC(=O)[C@@H]1SC[C@@H](C)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454248 VTFJAUVPOVWQGS-TWEWKQJXSA-N 334.393 2.106 0 1 EEAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cnc(O)s2)N1 962969318 QFXPLOIBYVDQJP-CPCISQLKSA-N 346.742 2.469 0 1 EEAF NCC(=O)Nc1ccc(S[C@H](CC(=O)O)c2cccnc2)cc1 13589311 UBESPPARKFBHLI-CQSZACIVSA-N 331.397 2.287 0 1 EEAF CO[C@@]12c3c4cc(=O)cc(C)c3C[C@@H]1[C@H]1C[C@@H](C)[C@@]2(CC4)C(=O)O1 1857568836 PRNZPPREKVOZOE-NTRREVLYSA-N 326.392 2.267 0 1 EEAF COc1ccc(C(CN(CCO)CCO)c2ccc(OC)cc2)cc1 26013295 LZWCWNCCAANCHQ-UHFFFAOYSA-N 345.439 2.122 0 1 EEAF CCCCn1nc(C(=O)NC2=NCCS2)c2ccccc2c1=O 2653683 CLDQJGVTTXGLSY-UHFFFAOYSA-N 330.413 2.029 0 3 EEAF CC1C[C@H]([C@H](O)c2ccccn2)C(=O)[C@@H]([C@H](O)c2ccccn2)C1 3895366 AHKMRDPUGQRUPR-LSOMNZGLSA-N 326.396 2.475 0 3 EEAF COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccco2)[C@@H]1c1ccccc1 110810931 LGZITMZUYQSSKR-HOTGVXAUSA-N 341.363 2.268 0 1 EEAF Cc1nc([C@@H]2CCCNC2)cc(N(Cc2nccn2C)C2CC2)n1 67714240 VZSRFGRCNPKEJS-CQSZACIVSA-N 326.448 2.155 0 1 EEAF Nc1nc2c3ccc(F)cc3nc(Cc3ccc4c(c3)OCO4)n2n1 116238650 KSNWJWORHKIJDQ-UHFFFAOYSA-N 337.314 2.318 0 1 EEAF O=C(NCc1nnc2n1CCCC2)c1ccc([C@H]2CCCO2)s1 65386722 APHQBCWZYIKNON-LLVKDONJSA-N 332.429 2.457 0 1 EEAF C[C@]1(O)CC[C@@]23C[C@H]1[C@H](O)C2=CC[C@H]1[C@]3(C)CC[C@@H](O)[C@@]1(C)CO 2356428300 GHVFAOYRFNOZIJ-OGGNBRINSA-N 336.472 2.004 0 1 EEAF C[C@]1(CO)C[C@H](O)C[C@]2(C)[C@@H]1CC[C@@H]1C[C@H]3C[C@@]12CC[C@@]3(O)CO 2356699916 OAKHNFTWNASSDJ-XSBZXTLGSA-N 338.488 2.086 0 1 EEAF CO[C@@H]1O[C@H](Cn2cc(C3=CCCCC3)nn2)[C@H]2OC(C)(C)O[C@@H]12 45355003 YIRMGPVZOMKBPA-KLHDSHLOSA-N 335.404 2.127 0 1 EEAF CC(C)NCCNc1ncnc2c1ncn2Cc1ccc(F)cc1 40848943 VNIWVQMIGOVSNM-UHFFFAOYSA-N 328.395 2.424 0 1 EEAF CS(=O)(=O)Nc1ccc(Cc2nnc(O)c3ccccc23)cc1 473113206 HVOGHBOKGONJGT-UHFFFAOYSA-N 329.381 2.298 0 1 EEAF COc1ccc(CN2CC[C@H]3O[C@H](C(=O)NCC4CC4)CC[C@H]32)cc1 299842361 NJXMXLCOSPTSFJ-QRVBRYPASA-N 344.455 2.343 0 1 EEAF Cc1nc2nc(O)nc(O)c2cc1Cc1ccc2c(c1)OCCO2 587563432 TZVLYFVNXPHUKI-UHFFFAOYSA-N 325.324 2.106 0 1 EEAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)o1 586931508 VQESDMQQYIZHOG-UHFFFAOYSA-N 327.312 2.351 0 1 EEAF CC(=O)Nc1cccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587242228 JXKANEJSAXLKIE-UHFFFAOYSA-N 333.355 2.088 0 1 EEAF Cn1c2c(c3ccccc31)CC(=O)N1CCCC[C@@H]1C21OCCO1 5582194 QWJZPEPCAXQADS-MRXNPFEDSA-N 326.396 2.315 0 1 EEAF COC(=O)c1cc(=O)c2cc([S@](=O)c3ccccc3)ccc2[nH]1 169314553 RMYLZERLFYNFGU-HSZRJFAPSA-N 327.361 2.481 0 1 EEAF COc1ccccc1S(=O)(=O)n1cc(Cc2ccccc2)c(N)n1 613249 HCBCCAVVNMWGMG-UHFFFAOYSA-N 343.408 2.302 0 3 EEAF CN1C(=O)[C@H]2C[C@@H](CN2C(=O)c2ccc(F)cc2)Oc2ccccc21 2356319783 GCVKHYCNLAIWIX-GOEBONIOSA-N 340.354 2.464 0 1 EEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)Nc1ccc(F)c(F)c1 4564654 CIUVLWJGOTWEFU-UIHHKEIPSA-N 346.333 2.101 0 1 EEAF CCCN(CCC)C(=O)Cn1ncn2c(cc3ccccc32)c1=O 6749657 UNTVAGUMDFERIA-UHFFFAOYSA-N 326.400 2.298 0 1 EEAF COc1ccc2c(c1)CN(C(=O)NC(C)C)CC[C@@H]1COC(=O)N21 2356290271 NPEXGCZIFBHDRN-CYBMUJFWSA-N 333.388 2.344 0 1 EEAF NC(=O)c1cncc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 101363772 ILSXMIVMEKRQPZ-ZSHCYNCHSA-N 338.411 2.150 0 1 EEAF COC(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCC1CCCCC1 27559178 KDEBNKWOMWIFGB-HNNXBMFYSA-N 339.432 2.444 0 1 EEAF CCCCc1cc2c(=O)n3cc(-c4nnn[nH]4)ccc3nc2s1 28003526 OYBCXCCYHUUSAV-UHFFFAOYSA-N 326.385 2.432 0 1 EEAF CC1(C)[C@H](O)C(=O)C[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@](O)(CO)C3 2356541155 PDTSXGBDZWSUTI-MOAJWMFTSA-N 336.472 2.292 0 1 EEAF COc1c(O)cc(-c2coc3cc(O)cc(O)c3c2=O)cc1C=O 6520499 GGPJFFWBXXHPCP-UHFFFAOYSA-N 328.276 2.398 0 1 EEAF biogenic CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1coc2ccc(C)cc2c1=O 34577709 XOCIJIFBUSBYKG-OAHLLOKOSA-N 342.351 2.292 0 1 EEAF C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CC[C@H](O)[C@@H]3[C@@]1(C)CCc1ccoc1 85674892 RVZLDPWPUOTCAE-PUQUKBOQSA-N 346.423 2.470 0 1 EEAF biogenic CCC[C@@H]1CC2=C(OC=CN2)[C@]2(NC(=O)CC(=O)O)C=CCC[C@@H]12 87723416 QUMPRQDHFWLVOC-VBHSOAQHSA-N 332.400 2.405 0 1 EEAF CCCCc1nc2nc(N3CCCC[C@@H]3CCO)ccc2[nH]c1=O 82231601 UNNRRKZWGRUDRU-CYBMUJFWSA-N 330.432 2.402 0 1 EEAF CCOC(=O)c1cnc(-n2ncc3ccc(Cl)cc3c2=O)nc1C 587653213 RWDAOSMFHXVJDS-UHFFFAOYSA-N 344.758 2.314 0 1 EEAF O=C([C@@H]1Cc2ccccc2[C@@H](c2cn3ccncc3n2)N1)C(F)(F)F 962729638 INQNTOUOSSEMNV-WFASDCNBSA-N 346.312 2.464 0 1 EEAF CN(CCc1ccc(Cl)cc1)C1CCN(c2nc(N)n[nH]2)CC1 1772655264 PUPDDGGPDGOPOG-UHFFFAOYSA-N 334.855 2.184 0 1 EEAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H](N)C3)cc21 5834218 NGPPAXOOFVLFNT-JTQLQIEISA-N 347.390 2.131 0 1 EEAF O=C(NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1)c1cccnc1 12049467 DKLQUKFPCUIAFC-INIZCTEOSA-N 332.363 2.272 0 1 EEAF COCC(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 201485907 FBZWJVOTRWNGIY-KRWDZBQOSA-N 330.428 2.065 0 3 EEAF O=C(O)CCCCCN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 1857744353 UNFVZROPRQAAMN-SFHVURJKSA-N 330.384 2.415 0 1 EEAF Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N2Cc2cccnc2)cc1 224978 JCXBNESDHCJXHN-SFHVURJKSA-N 337.423 2.240 0 3 EEAF CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491915 YSYDURQOUMJEOA-CQSZACIVSA-N 349.431 2.066 0 1 EEAF COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491920 BYCAHXLLSTUBOG-HNNXBMFYSA-N 334.416 2.273 0 1 EEAF CN(C(=O)n1c(=O)[nH]c2ccccc21)C1C[C@H]2CCC[C@H](C1)N2C 100649507 IQARRFVNDVOHGQ-CHWSQXEVSA-N 328.416 2.245 0 1 EEAF Nc1ncc(-c2nc(N3C[C@@H]4CC[C@@H](C3)O4)c3sccc3n2)cn1 101306971 RQUSSQSOEJOAEP-QWRGUYRKSA-N 340.412 2.098 0 1 EEAF COCc1cc(CN(C)[C@H](C(=O)O)c2cc(C)c(OC)c(C)c2)n[nH]1 55211546 XGIXNVAHZHFPHU-INIZCTEOSA-N 347.415 2.439 0 1 EEAF CN(C)CCC1=CN2[C@@H]3C1=CC=C[C@H]3c1ccccc1S2(=O)=O 195227889 GKINOYVCIYGDGT-FUHWJXTLSA-N 328.437 2.489 0 1 EEAF CCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](C)C[C@H](C)C(=O)O 253684062 FYGXHTCBEFEFEV-HUBLWGQQSA-N 333.384 2.254 0 1 EEAF COc1ccc(CN(C)[C@@H]2[C@@H]3[C@@H]4C(=O)[C@H]5[C@@H]6C[C@@H]([C@@H]3[C@H]64)[C@H]52)cc1OC 299845600 LNTMHZZRTAQEJQ-MVZUTCEUSA-N 339.435 2.461 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CCN(C)C[C@H]1CCO)CC2=O 587482073 ZAOHPOPPUWRUJR-BFUOFWGJSA-N 333.428 2.383 0 1 EEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCNC[C@H]2F 587573288 YSONXEWCTUJQAP-VKJFTORMSA-N 329.327 2.424 0 1 EEAF N[C@@H]1Cc2c(Cl)cccc2[C@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962904587 WDAGVMZBZXNWMT-JZXOWHBKSA-N 346.789 2.205 0 1 EEAF NC(=O)c1cc2c(Oc3ccc([C@@H](O)CO)cc3)cncc2s1 13864448 YHJUZJLDRQAUCV-LBPRGKRZSA-N 330.365 2.213 0 1 EEAF CSc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1 14968074 LOVNEHZOSOGCRZ-UHFFFAOYSA-N 346.460 2.342 0 1 EEAF COc1cccc(CCN2[C@H]3[C@@H]4[C@H]5[C@@H]6C[C@@H]7[C@H]5[C@@H]4[C@@]2(O)[C@H]7[C@@H]63)c1OC 169291794 FOTUXOOYRRRHFQ-XXAXDXMRSA-N 339.435 2.007 0 1 EEAF CC(=O)NCc1ccc(OC[C@H](O)CNC(C)(C)C)c(Cl)c1 169335390 UUFWIAFSPMGWOK-CYBMUJFWSA-N 328.840 2.104 0 1 EEAF Cc1cc(C)cc(NC(=O)Nc2cc(S(N)(=O)=O)ccc2O)c1 1857656278 HNNBMEFISCTKFK-UHFFFAOYSA-N 335.385 2.300 0 1 EEAF COc1ccc(OC)c(CCNC(=O)c2cc3ccccn3n2)c1 6738157 MBINAQIADHYACI-UHFFFAOYSA-N 325.368 2.324 0 1 EEAF Cc1ccc(=O)n(-c2ccc(OCCCN3CCOCC3)cc2)c1 103233137 BIYFYPPSYAJOST-UHFFFAOYSA-N 328.412 2.247 0 1 EEAF O=C(CCc1ccc(-c2cccs2)o1)NCc1cc(=O)[nH]cn1 23379724 TZHRZEGUCRCHDR-UHFFFAOYSA-N 329.381 2.340 0 1 EEAF COCCNC(=O)[C@@]1(C)CCN(C(=O)c2oc3ccccc3c2C)C1 61930246 XWZWAUYHXSWYSJ-IBGZPJMESA-N 344.411 2.356 0 3 EEAF CCCNC(=O)[C@@]1(C)CCN(C(=O)c2cc(C(C)(C)C)nn2C)C1 61903300 PCZUINLCTWQINF-SFHVURJKSA-N 334.464 2.096 0 3 EEAF COc1cccc2c1[C@](O)(C(=O)O)[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 2356697565 VGWFYUHDOBADTL-XDKFSHSGSA-N 334.368 2.130 0 1 EEAF Cc1csc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)n1 34021160 UQZBEXRWKGGPGI-UHFFFAOYSA-N 341.375 2.423 0 1 EEAF Cc1nc(N)ncc1-c1cncc(NS(=O)(=O)c2ccccc2)c1 73167226 PAADIPLGCFOCOH-UHFFFAOYSA-N 341.396 2.230 0 1 EEAF O=C1C[C@H](O)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]12 40738206 GREJPBKWGASYSC-DZJNRPSUSA-N 332.396 2.350 0 1 EEAF Cc1ccc(-c2cc(C(=O)NCc3ccc(C)n3C)nc(N)n2)o1 45393653 LEABFFRGVMYHEL-UHFFFAOYSA-N 325.372 2.204 0 1 EEAF COCCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccco1 82141806 MHTXKLHLGPHGOV-UHFFFAOYSA-N 330.388 2.103 0 1 EEAF CCN(C)C(=O)c1cnc(NCCOC)nc1-c1ccc(F)cc1 82216487 ZDQUZNPPHWMIRS-UHFFFAOYSA-N 332.379 2.433 0 1 EEAF CN(C)C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)scc12 49784413 KWXJQTFPPPOFIF-UHFFFAOYSA-N 348.815 2.385 0 1 EEAF COc1ccccc1N=c1[nH]c(N2CCNCC2)nc2ccccc12 473081721 CXEHMADGEZJANZ-UHFFFAOYSA-N 335.411 2.214 0 1 EEAF CC(=O)NC1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCC(C)CC1 587234602 RHOIVELWFXAFNM-UHFFFAOYSA-N 339.403 2.080 0 1 EEAF CCOC(=O)[C@@H]1[C@H]2C[C@]3(C[C@H]21)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 587440258 FRHCPCCXWAALMQ-ZAQVQQNESA-N 328.364 2.401 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)C2)N1 587847802 YKIWJJPAUOHAFF-SDBXPKJASA-N 348.237 2.136 0 1 EEAF COc1c(O)c2c(c(O)c1OC)C(=O)[C@@H](Cc1ccc(O)cc1)CO2 14758458 PGCPWPPPMWXCMG-JTQLQIEISA-N 346.335 2.255 0 1 EEAF endogenous,in-man CCc1c(C)nc2nc(NCc3ccc(OC)c(OC)c3)nn2c1O 15668934 RNCKRFIPSGWIOJ-UHFFFAOYSA-N 343.387 2.330 0 1 EEAF COc1nc(N)c(Cl)cc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C 100914238 BCLLSLQFCCDNIE-QWRGUYRKSA-N 338.839 2.071 0 1 EEAF N=c1scc(-c2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 101703926 IHOGKRIRHORAHV-UHFFFAOYSA-N 337.832 2.208 0 1 EEAF O=c1nc(CSc2ncccn2)nc2n(-c3ccccc3)[nH]cc1-2 103893018 HCOSUQTVWYAZBF-UHFFFAOYSA-N 336.380 2.143 0 3 EEAF COc1ccc(C(=O)Nc2ccc([C@H]3CCNC3)cc2)c(OC)n1 117732599 TWVLHOJNKLTPFZ-ZDUSSCGKSA-N 327.384 2.428 0 1 EEAF C[C@@H]1Oc2cccc(O)c2[C@H](O)[C@@H](C)Oc2cccc(O)c2[C@H]1O 2356472748 HTVPTLVEDCCJOB-MOGXELDJSA-N 332.352 2.413 0 1 EEAF C[C@]1(O)CC[C@@]23C[C@H]1C[C@]2(O)CC[C@H]1[C@]3(C)C[C@H](O)C[C@@]1(C)CO 2356705815 FOCVEWGELGYRTJ-YBXIWKLVSA-N 338.488 2.228 0 1 EEAF CCOc1ccc(CN2CCC(C(=O)O)(n3ccnc3C)CC2)cn1 72436135 XQMDCJMGFZNULQ-UHFFFAOYSA-N 344.415 2.061 0 1 EEAF O=C(Oc1cccc2c1C(=O)c1nc3nonc3nc1-2)c1ccccc1 34280778 ZWDCQKIEKDZLQF-UHFFFAOYSA-N 344.286 2.443 0 1 EEAF O=C1CSC[C@H](c2nc3cc(Br)cc(F)c3[nH]2)N1 587044417 VXCPMYVRGODFTR-MRVPVSSYSA-N 330.182 2.369 0 1 EEAF COc1cc(C)ccc1OCc1nc2ccc(-n3cnnn3)cc2[nH]1 587565017 UGMWGQOTZWFZJH-UHFFFAOYSA-N 336.355 2.435 0 1 EEAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1cc(F)ccc1F 587367948 CNTIMQNCGSVREY-UHFFFAOYSA-N 333.250 2.008 0 1 EEAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2ccnn2-c2ccccn2)N1 962926540 WZMBDSCNNFMONI-WMLDXEAASA-N 338.342 2.095 0 1 EEAF CC(C)CC(=O)c1c(O)cc(O)cc1OC[C@@H](O)CNC(C)C 1772572231 RYMCJTLTKNWKQI-ZDUSSCGKSA-N 325.405 2.064 0 1 EEAF CN(c1nc2nonc2nc1NCc1ccccc1)C1CCOCC1 12075648 JTJXNBZZGUWMPJ-UHFFFAOYSA-N 340.387 2.240 0 1 EEAF O=C1CCCN1CC(=O)N1CCC[C@H](COc2cccc(F)c2)C1 23619359 ODEIGPVLGCGOBD-AWEZNQCLSA-N 334.391 2.066 0 1 EEAF O=C1[C@H]2[C@H]3c4ccccc4[C@H]([C@H]2C(=O)N1c1ccccc1)S3(=O)=O 102934310 UPTXECXZLCKHIL-QKPAOTATSA-N 339.372 2.017 0 1 EEAF CC[C@@H]1NC(=O)OC12CCN(C[C@H]1COc3ccccc3O1)CC2 28761397 VVMCXYYGSYAMPN-BBRMVZONSA-N 332.400 2.179 0 1 EEAF O=C(c1ccc(O)c2[nH]c(-c3cccs3)nc12)N1CCNCC1 118675128 FHHUOFULEQWBBV-UHFFFAOYSA-N 328.397 2.042 0 1 EEAF COC(=O)c1ccc(Cl)c(NC(=O)[C@](C)(O)C(F)(F)F)c1 26376596 YFRZNCXEZUVQBU-NSHDSACASA-N 325.670 2.378 0 1 EEAF COc1ccc(CNC[C@@H]2COCc3nc4cc(F)ccc4n32)cn1 2356483094 VXSHAPKQLIANSU-CQSZACIVSA-N 342.374 2.440 0 1 EEAF Cn1cc(C(N)=O)c2c1-c1nc(NCc3ccccc3)ncc1CC2 64511901 AMTPXYFBGSXPMD-UHFFFAOYSA-N 333.395 2.292 0 1 EEAF CN1c2ccccc2[C@]2([C@]34CCN[C@H]3N(C)c3ccccc34)CCN[C@@H]12 2356566491 JKUVEXHEQZKNSO-MYGLTJDJSA-N 346.478 2.401 0 1 EEAF CC(C)NC(=O)[C@@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61907812 GCHKBOAWRRHYAO-INIZCTEOSA-N 326.352 2.305 0 3 EEAF CC(=O)NCn1cc(-c2ccc(-c3sccc3CO)cc2)c(=O)o1 28524436 NIPQCXLXRBDZNE-UHFFFAOYSA-N 344.392 2.423 0 1 EEAF COCCCc1cc(Nc2ccnc(NCc3cc(C)no3)n2)n[nH]1 84741826 QSABFBQRTHXLQJ-UHFFFAOYSA-N 343.391 2.431 0 1 EEAF O=C(NN1C(=O)CCS[C@@H]1c1cccc(O)c1)c1ccncc1 84632060 LKTBXCBHCUKSKA-MRXNPFEDSA-N 329.381 2.096 0 1 EEAF CC(C)[C@@H](Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O 95601395 GMEXAVPUBJEDJB-GFCCVEGCSA-N 333.442 2.455 0 1 EEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC(C)(C)CO)ncc23)ccn1 261189029 YKEDZTIPULIKPG-UHFFFAOYSA-N 340.387 2.221 0 1 EEAF Cc1ccc2[nH]c(CCNC(=O)c3ccc(-n4cnnc4)cc3)nc2c1 299863148 ONWRHEPYCUPCSE-UHFFFAOYSA-N 346.394 2.425 0 1 EEAF CC(=O)N1CCC(n2nccc2-c2cnc(N3CCCC3)nc2)CC1 299849920 MLWULAXWSOEWOG-UHFFFAOYSA-N 340.431 2.124 0 1 EEAF Cn1cc(C(=O)NC(=S)Nc2cccc(Br)c2)cn1 473089132 KLPQUEVOVNKYAR-UHFFFAOYSA-N 339.218 2.309 0 1 EEAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 586906700 GMDJVZCWWZWQIK-JTQLQIEISA-N 334.339 2.119 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(C)(=O)=O)nc1)O2 587409927 OCGQFOUCJOBDTL-CQSZACIVSA-N 332.381 2.082 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ncnn1C)C1CC1 963633336 HVBVOKVMFYBWMQ-BBATYDOGSA-N 328.416 2.020 0 1 EEAF CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCCO 1772625193 BFYJEWSZCRQMBV-UHFFFAOYSA-N 343.412 2.199 0 1 EEAF N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](F)C1 13561266 GYGFHVJFCNWUNT-CABCVRRESA-N 327.831 2.108 0 1 EEAF COc1c(O)c(OC)c2c3c1CCN=C3[C@](C)(O)c1cc(O)ccc1-2 15265681 KRKVLRWJLDJLGV-LJQANCHMSA-N 341.363 2.348 0 1 EEAF CC(=O)Nc1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@@H]2C(=O)NC(=O)[C@H]21 1857598245 GUUBZYJUXOVCNT-BDXSIMOUSA-N 332.359 2.125 0 1 EEAF O=C(O)C[C@@H](c1cccs1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1857760783 MLBNXXBJUKKLJO-NSHDSACASA-N 345.332 2.258 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC(=O)[C@H]1[C@@H]3C[C@@H](C[C@@H]12)OC3=O 100494631 FJCWYLRNGKSUCH-DEGCWXIRSA-N 344.363 2.431 0 1 EEAF in-man COC(=O)c1ccccc1NC(=O)[C@]1(OC)Nc2ccccc2C1=O 13384970 DWUUEFPETVAASH-SFHVURJKSA-N 340.335 2.063 0 1 EEAF biogenic CO[C@@H]1COC(=O)CC=C[C@@H](C)[C@H](OC)COC(=O)CC=C[C@H]1C 299813340 XHGSXZXWBLXYTP-KLHDSHLOSA-N 340.416 2.281 0 1 EEAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(C(=N)N)cc2[nH]1 586921551 CDLAZKPVMPXNMB-UHFFFAOYSA-N 328.397 2.308 0 1 EEAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1csc(N)n1)CC2=O 587495816 URNCWXAHZRSOGI-INIZCTEOSA-N 348.380 2.329 0 1 EEAF COC[C@]1(CC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587789213 BLZAIIUCZCLPKE-RTHLEPHNSA-N 346.196 2.439 0 1 EEAF Fc1cccc(Cn2nnc(-c3nc4ncc[nH]c-4n3)c2Cl)c1 587162686 YDIONFDUFORIHE-UHFFFAOYSA-N 329.726 2.404 0 1 EEAF O=C1CCN(Cc2ccccc2)CCN1[C@H](CO)Cc1ccccc1 12474397 SAZXWWGVXQPTQQ-FQEVSTJZSA-N 338.451 2.325 0 3 EEAF COC(=O)c1ccc(COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)o1 12537489 WLOJPXBGRQFZAX-CCHVVGMOSA-N 334.368 2.441 0 1 EEAF COc1cc(CNc2ccc3nc(N)nc(N)c3c2)cc(OC)c1 3814867 WFWMBUFEDMTUNR-UHFFFAOYSA-N 325.372 2.424 0 1 EEAF Cc1cccc(OC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1C 4916984 MGKIYAJHDODEFI-RMHZUWNSSA-N 327.380 2.240 0 1 EEAF CC(=O)Nc1ccc(-c2nn(C)/c(=N\[C@@H]3CCC[C@@H](O)C3)s2)cc1 100658906 VJGYWKLYRLGWJI-YKHTYXQRSA-N 346.456 2.311 0 1 EEAF CCO[C@@H](C)C=CC=C[C@@H](O)CCC=CC(=O)NCC(C)(C)O 2356284658 OZMRSUOXUTZPNR-JKSUJKDBSA-N 325.449 2.108 0 1 EEAF CC(=O)N[C@H](COCCc1ccccc1)C(=O)NCc1ccccc1 58568440 TXLMCWJIYQCLFF-LJQANCHMSA-N 340.423 2.067 0 1 EEAF C[C@H]1CC=C(Nc2cccc(C(=O)O)c2)c2ncc(C(=O)O)c(=O)n21 102190616 QACYXFPYIFQHHS-VIFPVBQESA-N 341.323 2.057 0 1 EEAF O=C(N[C@@H](Cc1ccccc1)C(=O)O)C(=O)c1c[nH]c2ccccc12 26566721 KHOMXENRSFDVPK-INIZCTEOSA-N 336.347 2.163 0 1 EEAF O=C(O)c1sc(Br)c(Br)c1OCCO 28886766 ZWJBYNIYIKYPFL-UHFFFAOYSA-N 345.996 2.342 0 1 EEAF CC[C@H]1[C@@H](N)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 27417563 BRPOVUNVTUCYNN-KBPBESRZSA-N 345.374 2.100 0 1 EEAF CCNCc1cncc(-c2ccc3[nH]nc(-c4nnn[nH]4)c3c2)c1C 38342765 IRNFQAHNLXMCMY-UHFFFAOYSA-N 334.387 2.223 0 1 EEAF Cc1cccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1 72107149 HDPWBPKWEVAHAA-UHFFFAOYSA-N 332.381 2.292 0 1 EEAF O=C(NC[C@H]1CNCCO1)c1ccccc1-c1nc(Cl)cs1 49045978 BBLHZQWGGTWBBF-SNVBAGLBSA-N 337.832 2.182 0 1 EEAF O=C(/C=C/c1ccccc1)N[C@H](CC(=O)Nc1ccccc1)C(=O)O 45392259 JIICDBTUKQTVGF-LPQFERQCSA-N 338.363 2.298 0 1 EEAF CC(C)NC[C@@H](O)COc1cc(/C=C/CO)ccc1Br 40466094 PFKFARKFEDPQHQ-ITDFMYJTSA-N 344.249 2.192 0 1 EEAF NC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(N)=O)n2)cc1 89469954 DYZNHQCKJOEZRJ-UHFFFAOYSA-N 348.366 2.162 0 1 EEAF in-vitro NC(=O)c1ccc(NC(=O)[C@H]2NC[C@@H]2c2ccccc2)c2cccnc12 143810794 CQMKNGNQJLHKPG-QAPCUYQASA-N 346.390 2.028 0 1 EEAF NC(=O)c1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O 141822557 DSKAKBUKMREWHL-UHFFFAOYSA-N 325.349 2.115 0 1 EEAF CC(C)N1CC[C@H]2[C@@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 299841894 BCOBOECHYTWNJW-KKUMJFAQSA-N 332.477 2.112 0 1 EEAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccc(F)c(N)c3)[nH]c2c1 587140141 GZSRGFCSVWYBQY-UHFFFAOYSA-N 334.376 2.202 0 1 EEAF COC(=O)c1ncccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587435835 LFYMESHFTRQSTJ-PXAZEXFGSA-N 325.320 2.366 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cnn(C)c1)O2 587391621 NYRBNHCSXSWSAZ-QWNKOJSDSA-N 326.400 2.247 0 1 EEAF Cc1cc(Br)c2[nH]c(CCS(=O)(=O)N(C)C)nc2c1 586929900 CUUFAQGREXJGLH-UHFFFAOYSA-N 346.250 2.068 0 1 EEAF CC(C)[C@H](N)[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962959043 DJSKVVQXIAHKQN-RIEGTJTDSA-N 332.778 2.416 0 1 EEAF O=C(O)C1=C[C@@]2(C=CO1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962761213 HCSDHDSRMVUAJT-IAQYHMDHSA-N 339.269 2.040 0 1 EEAF C[C@H](CCCCNC(=O)c1cc2cc(C(=N)N)ccc2[nH]1)CC(=O)O 13764943 PEKKKMNTIAKZJT-LLVKDONJSA-N 344.415 2.463 0 1 EEAF CC(C)n1nnnc1[C@]1(C)CSCC(=O)N1Cc1cccc(F)c1 203465349 DCMDUKNQMBORNN-INIZCTEOSA-N 349.435 2.384 0 3 EEAF COc1ccc2c3c1O[C@H]1[C@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341 4887345 MFXFQKMUCYHPFQ-ZLOUOWRTSA-N 341.407 2.072 0 1 EEAF in-man C[C@H](NC(=O)OC1CCCCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 6576704 QTOGVWKNZNBBNK-MUGBGTHKSA-N 332.400 2.198 0 1 EEAF O=C(CN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)NC1CC1 100976586 KJTLSXGIBHEINN-ROUUACIJSA-N 341.455 2.081 0 3 EEAF CCN(CC)CCN1C(=O)C[C@]2(CCCc3ccc(O)cc32)C1=O 27564653 JZOLXFROHRHOEF-IBGZPJMESA-N 330.428 2.067 0 1 EEAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)c(O)c1 103542990 MFFWOASMNCHNPM-JNINTMOKSA-N 330.344 2.494 0 1 EEAF O=C(CC(=O)c1nnn[nH]1)c1ccc(OCc2ccc(F)cc2)cc1 103139692 SXOBGHVVAIWRMH-UHFFFAOYSA-N 340.314 2.374 0 1 EEAF COC(=O)c1cccc2c1=C[C@H]1c3[nH]c4ccccc4c3CCN1C=2 2356805945 AERDNBBGIYQCAS-IBGZPJMESA-N 330.387 2.086 0 1 EEAF CC[C@H](C)C(=O)C(=O)N(C)[C@H](C(=O)NCCc1ccccc1)C(C)C 2356862030 UWDIQZJVMAKUPJ-RDJZCZTQSA-N 346.471 2.444 0 1 EEAF NC(=O)c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 40424194 PDBOKCMXEMQWBF-UHFFFAOYSA-N 348.341 2.279 0 1 EEAF CO[C@H]1C(=O)N(SC)[C@H]1c1ccc(I)cc1 40380391 OPZZHMLRWZQKAD-VHSXEESVSA-N 349.193 2.468 0 1 EEAF COc1ccc(CNc2nc(N3CCOCC3)ncc2C)cc1OC 82202757 SCMNSDPPNXQZDF-UHFFFAOYSA-N 344.415 2.251 0 1 EEAF CC/C=C\C/C=C\[C@H]1CC(=O)NCCCN(C(C)=O)CCCCN1 238751713 XNQNGMLBSCADES-RWWGKFEVSA-N 335.492 2.396 0 1 EEAF Cc1nc2c(o1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 96284068 YNXKDZAZTKIGHB-HYSWKAIVSA-N 335.354 2.434 0 1 EEAF O=C1[C@@H](Cc2ccccc2)CCn2cc(nn2)COC[C@H]2CCCN12 95898351 WZJQEFWGBHOUNW-SJLPKXTDSA-N 340.427 2.048 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(c1cccc(C(=O)O)n1)[C@@H](C2)C3=O 587436288 PNVUCVDSDPKRSB-VOJFVSQTSA-N 325.320 2.451 0 1 EEAF O=C(Nc1ccccc1Cl)c1nc2cc(-n3cnnn3)ccc2[nH]1 587060766 UPDHRDVDNPQCQI-UHFFFAOYSA-N 339.746 2.444 0 1 EEAF O=C(CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)NC1CCCCC1 1772625582 YCNWCBSOIXVYGJ-KRWDZBQOSA-N 343.427 2.202 0 1 EEAF COC(=O)C[C@@H]1CC(=O)N2[C@@H](Cc3c[nH]c4ccccc34)CO[C@@H]2C1 169593339 PCDKYCYXQIBMAW-UVBSCNOISA-N 342.395 2.237 0 1 EEAF C[C@@H]1CCN(C(=O)CC2CC2)C[C@@H]1N(C)c1ncnc2[nH]ccc12 34028563 WCEMRCSQVJUUEL-DOMZBBRYSA-N 327.432 2.431 0 1 EEAF CCCn1c(=O)c2ccccc2n2c(CN3CCCCC3)nnc12 4007 FFDDIHIPHFAQIN-UHFFFAOYSA-N 325.416 2.440 0 1 EEAF in-man Cc1ccc(NC(=O)N2CCNC[C@H]2COc2cccnc2)cc1 114576414 LBALNKBUJJYTRO-INIZCTEOSA-N 326.400 2.275 0 1 EEAF CC(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(C(C)(C)C)n1 2356460863 MWSWDOSYPITZNH-FJIDUMEYSA-N 349.519 2.310 0 1 EEAF CONS(=O)(=O)CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 66114082 BRKXUMURIRIUAZ-CYBMUJFWSA-N 343.445 2.013 0 1 EEAF CN[C@@H]1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)nc(N)n2)C1 114197373 OSRIFGUDXAOACA-BCFZYGEVSA-N 327.476 2.325 0 1 EEAF Oc1ccc2c3c1O[C@@H]1CCC[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 328577356 XBPQMXFKKJADMC-SMOSDQRPSA-N 327.424 2.346 0 1 EEAF in-vitro COc1cc(O)c2c(c1)/C=C/CC[C@H](O)[C@H](O)/C=C/C[C@H](C)OC2=O 84604656 HZGOYSKUPKXELQ-WKJOWDJDSA-N 348.395 2.421 0 1 EEAF COc1ccc2ccccc2c1CON1C(=N)N=C(N)NC1(C)C 45303208 DZGMCOYDMVAQPB-UHFFFAOYSA-N 327.388 2.171 0 1 EEAF COc1ccc(Cc2nc3ccccc3c3nc(N)nn23)c(OC)c1 147320377 LEJYGUKUDQAMDM-UHFFFAOYSA-N 335.367 2.468 0 1 EEAF CCOC(=O)Cc1nc2nc(N3CCCC[C@@H]3CC)ccc2[nH]c1=O 82231518 ILVKWCSHYICKJJ-LBPRGKRZSA-N 344.415 2.193 0 1 EEAF O=C(O)c1cc(=O)c2c3c(ccc2[nH]1)S(=O)(=O)c1ccccc1-3 149035724 MGUVDUCOAIAKPP-UHFFFAOYSA-N 327.317 2.040 0 1 EEAF c1ccc2c(NCCc3c[nH]cn3)nnc(NCCc3c[nH]cn3)c2c1 95577620 YJNZTAMBTNJWKY-UHFFFAOYSA-N 348.414 2.385 0 1 EEAF C/C=C/C[C@@H]1c2cc3c(O)nc(O)nc3nc2C[C@H]1CC(=O)OC 587559055 FCSJDDUNHVUNPS-OHINUGQQSA-N 329.356 2.221 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(C(=O)O)cc21 587400714 NQFQRYOTXFQKIU-GOSISDBHSA-N 338.319 2.088 0 1 EEAF O=C(NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1)c1ccncc1 12037120 PHUXYOQVXLRORH-MRXNPFEDSA-N 332.363 2.272 0 1 EEAF CCCCNC(=O)[C@H]1CCCN1C(=O)NCc1ccccc1OC 201488533 SQEPPDXGKSCRAT-OAHLLOKOSA-N 333.432 2.286 0 3 EEAF Cn1cc(-c2c[nH]c3ncc(F)cc23)nc(NC[C@@H]2CCCO2)c1=O 1857582962 IICNSDBCWNPMMB-NSHDSACASA-N 343.362 2.054 0 1 EEAF Cc1ccc2c(c1)N([C@H](C)C(=O)NCCc1ccccc1)C(=O)CO2 423172 ZVGOMPJIBVWMPH-OAHLLOKOSA-N 338.407 2.468 0 3 EEAF CCOc1ccc(OCC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 103056581 FYKKYJCPDCPXTN-JONQDZQNSA-N 347.367 2.077 0 1 EEAF O=C(c1ccco1)c1cnn2c1n[n+]([O-])c1ccc(-c3ccc[nH]3)cc12 71295106 MVUSBVCPPVDVOG-UHFFFAOYSA-N 345.318 2.335 0 1 EEAF COc1ccc2c(c1O)-c1c(CO)c(CO)cc3c1[C@@H](C2)N(C)CC3 2356604055 OTFRAIWKAVQAEG-OAHLLOKOSA-N 341.407 2.138 0 1 EEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1C[C@@H](O)C1=C[C@H]3C[C@@]12CC[C@@]3(O)CO 2356639481 RUGLMNSDLLANNJ-AUENAHFOSA-N 336.472 2.006 0 1 EEAF CN1CCN(c2cc(NCc3ccc(Cl)cc3)nc(N)n2)CC1 45354685 ZMNCLMNQEJOEDY-UHFFFAOYSA-N 332.839 2.076 0 1 EEAF NS(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 587162074 CBINSADUYCTEAY-UHFFFAOYSA-N 347.371 2.165 0 1 EEAF N=c1[nH]cc2nc(-c3ccnc4[nH]cc(Br)c34)nc-2[nH]1 587002372 DOJWOVWLKSINBB-UHFFFAOYSA-N 330.149 2.023 0 1 EEAF O=S(=O)(O)c1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1 587133817 BOKQVMOGCCGIBQ-UHFFFAOYSA-N 326.280 2.460 0 1 EEAF COC[C@@H]1CCCN(C(=O)c2ccc(N3CCC(OC)CC3)nc2)C1 14976382 YOTRHALFHXEHQT-OAHLLOKOSA-N 347.459 2.195 0 1 EEAF O=C1[C@@]2(CO2)[C@@H]2C[C@H](c3ccccc3)[C@]1(CO)C=C2Br 101671797 NUHDVHTZWKNFRO-CZPYZCIJSA-N 335.197 2.399 0 1 EEAF CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@H]1CNCC(OC)OC 29128197 KGCAQBRBCVWBSF-LPHOPBHVSA-N 334.460 2.021 0 1 EEAF NC(=O)COC(=O)CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100917814 KQTGPVFYNVGBHJ-MBFGLIKCSA-N 330.222 2.139 0 1 EEAF CC1(C)N=C(N)N=C(N)N1c1cccc(OC(=O)c2ccccc2)c1 26936664 QDBFCMRGMYEROX-UHFFFAOYSA-N 337.383 2.091 0 1 EEAF O=C1CCCN1Cc1ccc(CN2CCN(c3ccccc3)CC2)[nH]1 27641706 RNSRAUJZODWGGM-UHFFFAOYSA-N 338.455 2.459 0 1 EEAF O=C(c1cn(Cc2c[nH]cn2)cc1-c1ccccc1)N1CCOCC1 26827094 MSFGEAHVKXVVHT-UHFFFAOYSA-N 336.395 2.399 0 1 EEAF CC1(C)CC(=O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@]12O)[C@](O)(CO)C3 2356464970 HBNVVMQCGSVOKF-HUFJVISLSA-N 336.472 2.437 0 1 EEAF NC[C@H](CC(=O)O)c1ccc(Cl)c(OCc2cc[n+]([O-])cc2)c1 73159996 DCLOELGEJBLWBZ-ZDUSSCGKSA-N 336.775 2.069 0 1 EEAF CNC1=NC(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C 84723963 LKVQIMAPGZMTJI-LFYBBSHMSA-N 333.189 2.319 0 1 EEAF C=C(c1cccc(OC)c1OC[C@H](O)CNC(C)C)n1ccnc1 40466596 CMOXDWAOLYQRIE-OAHLLOKOSA-N 331.416 2.148 0 1 EEAF Nc1nc(Cc2cccs2)nc2c1nnn2C[C@@H]1CCCCO1 84672258 RRZUIOWJAIPWAH-JTQLQIEISA-N 330.417 2.025 0 1 EEAF COc1cc2c(cc1O)-c1c3c(cc4c1[C@H](C2)N(C)C[C@H]4O)OCO3 95099638 ZKVBEKITZRNFLX-GXTWGEPZSA-N 341.363 2.373 0 1 EEAF biogenic,in-vitro CCOC(=O)Cn1c(=O)n(CC2CCCCC2)c(=O)c2ccccc21 95559628 FPECMAFKRDRICI-UHFFFAOYSA-N 344.411 2.307 0 1 EEAF CCCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cocn1 95894513 DJJJRMTZLLUIKB-AOIWGVFYSA-N 341.411 2.150 0 1 EEAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(O)ncnc2[nH]1 586971986 CRASACRFSWIHGH-LBPRGKRZSA-N 343.412 2.169 0 1 EEAF O=C1Cc2nc3nc(O)nc(O)c3cc2[C@@H](c2ccc(F)cc2)C1 587369599 LPXPBKXURBMVSB-LLVKDONJSA-N 325.299 2.222 0 1 EEAF N=c1[nH]c2nc(-c3cc(Br)cnc3F)nc-2c(Cl)[nH]1 587177833 BLKXRZGPYTZDFP-UHFFFAOYSA-N 343.547 2.334 0 1 EEAF COc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(OC)c1OC 587559044 FBXDTNPSHNJQMC-UHFFFAOYSA-N 329.312 2.129 0 1 EEAF COC(=O)Cc1ccccc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587783609 WRLSNQQVNVJDCH-UHFFFAOYSA-N 346.364 2.192 0 1 EEAF Cc1ccc(CNC(=O)[C@@H]2Cn3c(cc4ccccc43)C(=O)N2)cc1 1772650371 DILJEFKNOQLDFI-INIZCTEOSA-N 333.391 2.378 0 1 EEAF c1ccc(N2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)nc1 6932637 BLRZFONQZXZHOB-UHFFFAOYSA-N 349.442 2.274 0 1 EEAF CC(=O)Nc1ccc(-c2nn(C)/c(=N/[C@H]3CCC[C@@H](O)C3)s2)cc1 28377903 VJGYWKLYRLGWJI-LTDXQCTPSA-N 346.456 2.311 0 1 EEAF O=C1NCCCN1C[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 115737563 WFSYXANMSWQZLY-WFASDCNBSA-N 341.814 2.172 0 1 EEAF OCCCC1(c2ccc(OCCCc3c[nH]cn3)cc2)OCCO1 26403110 RBRFZDLHNXOKIZ-UHFFFAOYSA-N 332.400 2.393 0 1 EEAF COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=CC1=CCN3C(=O)C2 2356599817 NGGHEXQRXXSCCU-IFXJQAMLSA-N 327.380 2.199 0 1 EEAF N=C(N)c1ccc2oc(C(=O)Nc3ccc(C4=NCCN4)cc3)cc2c1 27877110 JZUPSYRQUPEFFH-UHFFFAOYSA-N 347.378 2.319 0 1 EEAF N=C(N)NC[C@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21 35900026 AKHFOAQLUXPFBJ-CQSZACIVSA-N 343.452 2.422 0 1 EEAF O=c1cc(-c2ccc3c(c2)OCO3)nc2nc(Cc3ccccc3)[nH]n12 219598520 YABVQOZGJCIWJP-UHFFFAOYSA-N 346.346 2.404 0 1 EEAF Nn1c(S[C@H](C(=O)O)c2ccccc2)nc2ccsc2c1=O 40834737 TWUCSUSGLHYVFG-JTQLQIEISA-N 333.394 2.090 0 1 EEAF C/C=C1\CO[C@@H](O)[C@H]2[C@@H]3Cc4c([nH]c5ccc(O)cc45)[C@H](C[C@@H]12)N3 238746847 BAVRLOVTOBIXTQ-KJIOTQAUSA-N 326.396 2.360 0 1 EEAF C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)CC)N(C(=O)CC)[C@H]2CO)cc1 95895376 GTUJJNILEQVMPG-RXXVQVBVSA-N 344.455 2.311 0 1 EEAF Cc1ccc(O[C@H]2CC[C@H]3CN[C@H](C(=O)O)C[C@H]3C2)c(C(=O)O)c1 96938813 MBYRUSHAQMWWBP-XFMPKHEZSA-N 333.384 2.303 0 1 EEAF O=C(c1cccs1)N1CCN2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 25412618 ADUACBRHEFJMRQ-CYBMUJFWSA-N 347.440 2.169 0 1 EEAF biogenic C=CC(=O)NCCn1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21 621431584 PXUIOUGMTWPPRN-UHFFFAOYSA-N 342.790 2.031 0 1 EEAF O=C1CC[C@H]2[C@@H](CCN2Cc2ccccn2)N1CC1CCOCC1 299842285 FMBYFCQOMUUSQD-ZWKOTPCHSA-N 329.444 2.074 0 1 EEAF Cc1nnc(N2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)s1 299843232 OSJLCVFJAASDIR-KFWWJZLASA-N 332.429 2.195 0 1 EEAF O=C(/C=C\c1nc2ccc(S(=O)(=O)O)cc2[nH]1)Nc1ccccc1 587243190 CVJJEOGSQPGDCE-HJWRWDBZSA-N 343.364 2.462 0 1 EEAF Oc1nncc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587160638 FGSCMOWHAHFNNX-UHFFFAOYSA-N 345.725 2.158 0 1 EEAF CC1(C)OC(=O)C[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 586906475 DRKYWDVJXVPWQZ-CYBMUJFWSA-N 329.400 2.204 0 1 EEAF COC(=O)c1cc2[nH]c(C(=O)Cc3ccccc3OC)nc2cn1 587930351 ORUFKVSGOIHOQB-UHFFFAOYSA-N 325.324 2.179 0 1 EEAF COc1cc2c(cc1OC)[C@](C)(c1cc(CO)on1)N(C)[C@@H](C)C2 962625411 DWWXZYDACJQHGW-BBATYDOGSA-N 332.400 2.324 0 1 EEAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@H](C)O)ncc12 1772611827 IORJFYFPBNCLOI-ZUZCIYMTSA-N 341.371 2.210 0 1 EEAF N[C@@](CCc1ccc(Cl)cc1Cl)(C(=O)O)[C@H]1C[C@@H]1C(=O)O 13777474 WFYBMXDAGSIWJM-PKFCDNJMSA-N 332.183 2.429 0 1 EEAF O=Cc1ccccc1-c1cn(CN2C(=O)c3ccccc3C2=O)nn1 15935311 RBBWKCULVAZWRP-UHFFFAOYSA-N 332.319 2.011 0 3 EEAF CCOC(=O)/C(=C/c1ccccc1Br)Cn1cnnn1 169321233 XLCUJWDMQUVDCG-YRNVUSSQSA-N 337.177 2.082 0 1 EEAF CC(=O)N1C(=O)c2cccc3c(S(=O)(=O)N4CCCC4)ccc1c23 1857641031 CDPIAGLBOMIBHH-UHFFFAOYSA-N 344.392 2.131 0 1 EEAF Cn1ncc2c1C(C)(C)CCN(C1[C@H]3CC4C[C@H]1CC(O)(C4)C3)C2=O 101668496 KJNGBIARSCJULD-PSYZNZIISA-N 343.471 2.483 0 1 EEAF COc1cc(CN(CCCN)Cc2ccc(O)c(OC)c2)ccc1O 27708410 PIDADLZDRDSGCA-UHFFFAOYSA-N 346.427 2.466 0 1 EEAF CN(C)CCNC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 31848119 RFWLFRNPHYOUJD-UHFFFAOYSA-N 347.422 2.416 0 1 EEAF C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1[C@@H](C)c1ccccc1 219134432 ZFGBUFOUHWHLIY-STQMWFEESA-N 334.383 2.341 0 1 EEAF COc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)cc1 45358431 POKSLRNNWIKCRY-UHFFFAOYSA-N 335.367 2.059 0 1 EEAF Nc1ncc(-c2ccc(-c3cccnc3OCCO)cc2F)cn1 224786160 BGYUKKDYARNJES-UHFFFAOYSA-N 326.331 2.298 0 1 EEAF CNS(=O)(=O)c1cccc(Nc2nc[nH]c3ncc(Cl)c2-3)c1 146107020 MCLHLDXITKQYFX-UHFFFAOYSA-N 337.792 2.215 0 1 EEAF C[C@@H]1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CC[C@H](O)[C@@]4(C)C2=CC[C@]1(O)C3 238778683 FYTDZBOLYPRDBT-QEPUVFPXSA-N 348.439 2.305 0 1 EEAF COc1cncc([C@@H](NC2CSCCSC2)C2CC(O)C2)c1 230490190 KDCOTTOWSUEUBX-INORYPFCSA-N 340.514 2.340 0 1 EEAF COc1c(O)cccc1-c1coc2c(O)c3c(c(O)c2c1=O)OCO3 238735558 SOOICCJBAFRXSX-UHFFFAOYSA-N 344.275 2.314 0 1 EEAF CCC(=O)N1CC[C@H]2[C@H](C[C@@H](CN3CCCC3)N2c2nccs2)C1 96064383 NWSXEDIZNHEFSL-PMPSAXMXSA-N 348.516 2.445 0 1 EEAF O=c1cc(N2CCOCC2)nc2c(COc3ccccc3)cccn12 473127116 AMSWBNSRXQUBBP-UHFFFAOYSA-N 337.379 2.110 0 1 EEAF CCOC(=O)C[C@@]1(c2cnn(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587390284 GGWHNNYNBGNOJJ-GOSISDBHSA-N 343.383 2.125 0 1 EEAF CS(=O)(=O)/C=C\c1nc2ccc(I)cc2[nH]1 586927166 TYFJXMFYXHUROU-PLNGDYQASA-N 348.165 2.183 0 1 EEAF CCS(=O)(=O)c1ccccc1-c1nc2cccc(C(N)=O)c2[nH]1 586923048 WSOQMQXIZBLBQE-UHFFFAOYSA-N 329.381 2.122 0 1 EEAF O=S(=O)(CCc1nc2cnccc2[nH]1)c1ccc2c(c1)CCC2 586921911 HNJYSVTWWVKQKY-UHFFFAOYSA-N 327.409 2.463 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COCC2=O)N1 587836446 UURHLZWLGWAWJN-XLKFXECMSA-N 326.165 2.431 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1cnc4ncnn4c1C)[C@@H](C2)C3=O 587435575 HFEAQNREYWPVEK-KPZWWZAWSA-N 336.351 2.104 0 1 EEAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587238876 GUFHZHVBCLKGCN-UHFFFAOYSA-N 344.396 2.432 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(OC)cc41)[C@@H](C2)C3=O 587440785 QLXCFCQUIQYFKV-ORAYPTAESA-N 337.331 2.299 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncnc2N)N1 587745736 KIVDBFXXYFQVON-UHLUBPPHSA-N 337.196 2.584 0 1 EEAF Nc1ncc(-c2nc3cnnc(O)c3[nH]2)c(-c2ccccc2Cl)n1 587061592 VWXUWGGFRGJPQZ-UHFFFAOYSA-N 339.746 2.418 0 1 EEAF C[C@@]1(CS(C)(=O)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606684 ITSMEAWNYUNGJU-PBHICJAKSA-N 348.376 2.157 0 1 EEAF CO[C@H]1CC=C2CCN3CC[C@@H](O)c4cc5c(cc4[C@]23C1)OCO5 14692325 NVJJCLPTDYFHCZ-CRFBAAHOSA-N 329.396 2.489 0 1 EEAF COc1cc(O)c2c(c1)/C=C\C[C@H](O)[C@H](O)/C=C\C(C)(C)COC2=O 169323412 BMKXKEIIOWVNSK-SZWPLPEDSA-N 348.395 2.279 0 1 EEAF N=c1nc(-c2c(Cl)cccc2CO)[nH]c(=NCc2ccccc2)[nH]1 1857548549 TXHOIOCIUXRYJJ-UHFFFAOYSA-N 341.802 2.131 0 1 EEAF CC[C@@H]1Oc2ccccc2N(CC(=O)NCCCN(CC)CC)C1=O 2933128 RVRSEWOMQGRCOC-INIZCTEOSA-N 347.459 2.039 0 1 EEAF COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2)cc(OC)c1 3814863 KPUKMCAOBYZDQE-UHFFFAOYSA-N 339.399 2.448 0 1 EEAF Cc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1ccccc1 103230913 FZWTUTSNVNMLPN-UHFFFAOYSA-N 341.392 2.238 0 1 EEAF Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(C)CC4)sc3c2c1 20105126 RJFHGJAVCLQJLK-UHFFFAOYSA-N 341.436 2.439 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3C4=C(C[C@@H]23)[C@@H](O)CCC4(C)C)OC1=O 2356444444 VOFXXOPWCBSPAA-BWPSIRRCSA-N 346.379 2.139 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3c4c(C)ccc(C)c4[C@H](O)[C@H]23)OC1=O 2356534005 VTDCLRRDQIBELF-ISWURRPUSA-N 342.347 2.294 0 1 EEAF COC(=O)[C@@]12CN(C)[C@@H](C(C)(C)C)N1C(=O)O[C@@H]2c1ccccc1 31852290 HRYXDZVWGIMPPC-LBTNJELSSA-N 332.400 2.409 0 1 EEAF COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)c(OC)cc1O 14436472 GXGORAKKNCLWTL-UHFFFAOYSA-N 346.291 2.300 0 1 EEAF biogenic CC[C@H](CO)NC(=O)c1cc2cc(Br)ccc2oc1=N 84705618 ZUCILFMZMNRNCQ-SNVBAGLBSA-N 339.189 2.175 0 1 EEAF O=c1[nH]c(=S)[nH]c2nc(Cc3ccc(C(F)(F)F)cc3)nn12 96282948 LJGZJDXOSAPGNP-UHFFFAOYSA-N 327.291 2.085 0 1 EEAF O=S(=O)(C[C@@H]1NCCc2ccccc21)NCCc1ccccc1 96019114 QJFAOCJNBLZDRV-SFHVURJKSA-N 330.453 2.036 0 3 EEAF Cn1c(=O)c2c(cc(/C=C/c3ccc(Cl)cc3)n2C)n(C)c1=O 95595554 CUWBKAWUQFYRQI-RMKNXTFCSA-N 329.787 2.400 0 1 EEAF CCNC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(O)cc2)cc1 95553729 CFKOQLOEZUZJSA-UHFFFAOYSA-N 336.369 2.301 0 1 EEAF O=C(c1ccncc1F)N1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 299842322 FYNKCRUCRPBMMQ-KBRIMQKVSA-N 334.391 2.409 0 1 EEAF COc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440011 NIEOMKAHFJRNQI-BFUOFWGJSA-N 337.331 2.299 0 1 EEAF C[C@]1(c2nonc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573459 BXYPRSIYUFSSOX-SJCJKPOMSA-N 339.307 2.234 0 1 EEAF COC[C@@]1(CC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796181 SJHZYYUYZIVYAN-RMLUDKJBSA-N 346.196 2.439 0 1 EEAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cnn(C)c1)CC2=O 587475003 JPBOLKHSVZONBY-QGZVFWFLSA-N 330.340 2.024 0 1 EEAF Cc1cc2c(cc1O)[C@H](c1cc(C(C)(C)C)n[nH]1)N[C@H](C(=O)O)C2 963528557 UIGAPBSRXNBALL-XJKSGUPXSA-N 329.400 2.410 0 1 EEAF CCN(CC)C(=O)N[C@H]1C=C2[C@@H]3C=CC=C4NC=C(C[C@H]2N(C)C1)[C@H]43 1772641820 RABVCMHYPLVKSO-SAKMYQHLSA-N 340.471 2.224 0 1 EEAF CC1=C[C@@H](O/C=C2\C(=O)O[C@@H]3[C@@H]2C=C2CCCC(C)(C)[C@@]23O)OC1=O 13310305 FIKOOQXJBAJJSE-HSLMEJJSSA-N 346.379 2.139 0 1 EEAF in-man Cc1cc(C)n2cc(CC(=O)N3CCn4c3nc3ccccc34)nc2n1 1857599066 HALVAJAIDPIDJB-UHFFFAOYSA-N 346.394 2.285 0 1 EEAF O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)c1ccccc1 418428 YVYMCIKGQHHIAY-UHFFFAOYSA-N 349.394 2.060 0 3 EEAF O=C([C@@H]1CCCN1C(=O)CC1Cc2ccccc2C1)N1CCCC1 3777731 SUPHKXCIZNFXDF-SFHVURJKSA-N 326.440 2.405 0 1 EEAF Cc1nc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(N)=O 103233532 QMQSPGPSUGTADW-UHFFFAOYSA-N 334.376 2.132 0 1 EEAF O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3)s1 103234927 XXTPQXRNEBZSIX-WUXMJOGZSA-N 341.417 2.004 0 1 EEAF CCC1=C(Sc2cc(C)cc(C)c2)[C@@H](COCCO)C(=O)NC1=O 102816296 SEJVZZWRFRVERW-OAHLLOKOSA-N 349.452 2.341 0 1 EEAF C[C@H](C(=O)O)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 2356552606 WYMRLQWRNAUXEL-HOJRLLLISA-N 347.411 2.326 0 1 EEAF CC(=O)NC(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 66079557 OTDCZHSIOIIKOM-UHFFFAOYSA-N 341.363 2.434 0 1 EEAF CN1C[C@H](COCc2ccccc2)Oc2ccccc2S1(=O)=O 61944814 DIRZBEGECLKOSE-OAHLLOKOSA-N 333.409 2.285 0 3 EEAF O=S(=O)(c1ccccc1)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C1 74379310 WGCLYCBATHNUSO-HZPDHXFCSA-N 346.383 2.249 0 3 EEAF O=S1(=O)C=C(c2ccccc2C(F)(F)F)S(=O)(=O)CCC1 225954687 RNHKLHLWJOOKMG-UHFFFAOYSA-N 340.344 2.237 0 1 EEAF COc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@@H](C)C[C@H]2O)ccc1O 85629210 WYRGHFKMUBYIDM-QVDUIBETSA-N 334.412 2.227 0 1 EEAF biogenic,in-vitro C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)nc3n21 147136563 LOVYPHDMDZPQDA-QMMMGPOBSA-N 327.369 2.050 0 1 EEAF COc1nn(Cc2ccccc2NC(=O)c2ccccc2)c(=O)o1 473134862 DBWSSYZYUWMRBO-UHFFFAOYSA-N 325.324 2.146 0 1 EEAF O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cnccn1 299872084 ZXLYLXJETXPMDZ-UHFFFAOYSA-N 336.399 2.174 0 1 EEAF NS(=O)(=O)c1ccc(CCc2nc3cncc(Cl)c3[nH]2)cc1 586929723 HUJCTZDGHBLPCV-UHFFFAOYSA-N 336.804 2.044 0 1 EEAF FC(F)c1c(-c2nc3cc4c(cc3[nH]2)OCCO4)cnc2ncnn12 587128868 RXHKXBGAYHUFQD-UHFFFAOYSA-N 344.281 2.376 0 1 EEAF COC(=O)c1ccc(-n2c(OC)cc(C)c2O)c(O[C@H]2CCOC2)c1 587925590 RPQOTDJXPASLSQ-ZDUSSCGKSA-N 347.367 2.454 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)C1(CN(Cc3ccccc3)C1)NCC2 962924654 LCTXZYWESZCNDZ-UHFFFAOYSA-N 335.451 2.245 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@@H](C[C@@](C)(O)C1CCOCC1)NCC2 962926317 AXICIYYGCWOVQR-UYAOXDASSA-N 346.471 2.143 0 1 EEAF COc1ccc(CCN2[C@@H]3[C@@H]4[C@H]5[C@@H]6C[C@@H]7[C@H]5[C@@H]4[C@@]2(O)[C@H]7[C@@H]63)cc1OC 169291956 KULMFBVVFDTVNX-RLEZSEQDSA-N 339.435 2.007 0 1 EEAF O=C1c2ccccc2S(=O)(=O)N1C[C@@H]1CC(c2cccs2)=NO1 1857595810 YPMBTZWFMDTVIO-JTQLQIEISA-N 348.405 2.086 0 1 EEAF COc1cc(CN(CCCO)Cc2ccc(O)c(OC)c2)ccc1O 1857770800 IUIPZVGQAUMWOP-UHFFFAOYSA-N 347.411 2.500 0 1 EEAF CCCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1 52913671 VJANRDVJTYOXQP-LBPRGKRZSA-N 341.814 2.408 0 1 EEAF CN1C(=O)CC[C@@H](Cc2ccc(I)cc2)C1=O 28009489 PPWPYZXAZABBEZ-JTQLQIEISA-N 343.164 2.229 0 1 EEAF CCCCCC(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1 26503056 XFPLVUDHBNYLTL-UHFFFAOYSA-N 328.415 2.429 0 1 EEAF O=c1cc(-c2ccc3[nH]ncc3c2)nc2nc(-c3ccccn3)[nH]n12 219598734 KRHXODCCUZVENL-UHFFFAOYSA-N 329.323 2.023 0 1 EEAF CC(=O)NC1=NCC[C@@H](c2cn(C)c3ccc(Br)cc23)N1 45298390 XUOJOFWEISANGZ-ZDUSSCGKSA-N 349.232 2.467 0 1 EEAF Cn1c(=O)c2cc(Cl)ccc2n2cnc(C(=O)OCC3CC3)c12 40860775 JKCPXTTYNRGYQQ-UHFFFAOYSA-N 331.759 2.406 0 1 EEAF COC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1CCC[C@@H](O)CO 43013633 NMRVOQJSHODRKA-WBMJQRKESA-N 332.400 2.357 0 1 EEAF COc1ccc(C[C@H]2COc3c(OC)c(O)cc(O)c3C2=O)c(O)c1 96923435 CGKORFWCUPPJCO-JTQLQIEISA-N 346.335 2.255 0 1 EEAF CC(=O)O[C@@H](C(=O)O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 96914880 REMKCICGSTZCMY-JKSUJKDBSA-N 327.336 2.174 0 1 EEAF COc1cccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)c1 473134756 CSFNAIBGRBBMOT-UHFFFAOYSA-N 325.357 2.185 0 1 EEAF CC(C)C[C@@H]1C(=O)[C@H](CC[C@H](O)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 473198583 PZASMECFBWZNPR-YHUYYLMFSA-N 348.395 2.132 0 1 EEAF CNC(=O)[C@H]1CO[C@H]2CCN(Cc3ccc4ccccc4n3)C[C@@H]2C1 299842109 DFBIELVITHRPAP-FCEWJHQRSA-N 339.439 2.208 0 1 EEAF CC(C)(C)OC(=O)N[C@H](Cc1nc2c(N)ncnc2[nH]1)C(C)(C)C 587205259 OKJVZDIDFUYDSC-SECBINFHSA-N 334.424 2.417 0 1 EEAF NS(=O)(=O)c1ccc(CCc2nc3cc(F)c(F)cc3[nH]2)cc1 586930014 LKZFZVIAADSDLQ-UHFFFAOYSA-N 337.351 2.274 0 1 EEAF CN(CCO)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570132 ICMDEHGPJMNICV-APWZRJJASA-N 343.379 2.037 0 1 EEAF COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccn1 587436397 PRVQGMUDALRGSK-SJKOYZFVSA-N 325.320 2.366 0 1 EEAF CN(Cc1cnc2nc(N)nc(N)c2n1)c1cccc2ccccc12 169334006 ZWCSGTKHMKLBQU-UHFFFAOYSA-N 331.383 2.374 0 1 EEAF CCOC(=O)[C@]1(CCC2OCCO2)CC[C@@]2(c3ccccc3)O[N@@]21 1857567349 AFWVTQZWHYYGPD-GBESFXJTSA-N 333.384 2.335 0 1 EEAF CCc1ccc(CNC(=O)CN2C(=O)CSc3ncccc32)cc1 6750895 UGIQDRLTNQCUGY-UHFFFAOYSA-N 341.436 2.399 0 1 EEAF CC(C)C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H](O)[C@@H]1O 2356286734 OIDDECWZYGIETC-DGAVXFQQSA-N 331.334 2.055 0 1 EEAF O=c1cccccc1N1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 29562423 FBRHADWPZYJKKS-LJQANCHMSA-N 328.387 2.042 0 1 EEAF CCOC(=O)Cc1csc(NC(=S)c2ccc(O)cc2O)n1 103194532 WKDVBQVWKKVRPG-UHFFFAOYSA-N 338.410 2.448 0 1 EEAF CCOC(=O)[C@H]1C[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3C)CC1=O 28115237 XUOQREZRAUHJRW-CNVJLJKISA-N 343.423 2.049 0 1 EEAF O=C(O)C[C@@H](NC1CCN(Cc2ccccc2)CC1)c1cnc[nH]1 28330987 KULAYRDOLOJPRN-MRXNPFEDSA-N 328.416 2.180 0 1 EEAF CCOC(=O)Cc1cc(O)cc2oc(C=CC[C@@H](C)O)cc(=O)c12 2356720457 ARUOHFOMZRRRLQ-LLVKDONJSA-N 332.352 2.388 0 1 EEAF COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](OC)C2=O 2356759032 BNRZDUDNTAQLFH-ROUUACIJSA-N 346.335 2.446 0 1 EEAF C[C@@H]1O[C@@H](C=C=CBr)[C@H]2C=CCC(=O)CC[C@@H](O)[C@H]1O2 2356824448 GUWDQBAYXQDWME-NLGMJNITSA-N 343.217 2.261 0 1 EEAF O=c1cc(N2CCOCC2)nc2n(Cc3ccccc3Cl)ccn12 73311482 XFWSJPCSZIXSOF-UHFFFAOYSA-N 344.802 2.034 0 1 EEAF CNC(=O)Oc1cccc(-c2cn3c(NC(C)=O)cccc3[n+]2C)c1 49045538 HYLFKWSJNHUCHY-UHFFFAOYSA-O 339.375 2.107 0 1 EEAF Cc1cc(C)nc(NC(=S)N2CCN(c3cnccn3)CC2)c1 95569008 JQXMYNCUMBWAPG-UHFFFAOYSA-N 328.445 2.007 0 1 EEAF CC(=S)NC[C@@H]1CN(c2ccc(-c3nc(C)no3)cc2)C(=O)O1 96928826 AOLIBQFMGZKCNT-CYBMUJFWSA-N 332.385 2.307 0 1 EEAF Cc1ccnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)c1 299866111 VGMVORMYEVYVFG-UHFFFAOYSA-N 337.358 2.444 0 1 EEAF COC(=O)C[C@@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437390 ZLTXNUSBRDDZGT-BFUOFWGJSA-N 339.347 2.296 0 1 EEAF CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2C=O)ON1 958574775 DRMYOYQVYQSQNL-CYBMUJFWSA-N 327.336 2.382 0 1 EEAF C=C1NC(C)=Cn2nc([C@]3(C)NCCc4c(C(=O)O)cccc43)cc21 963125924 VDCUCFZDBYZNPF-LJQANCHMSA-N 336.395 2.383 0 1 EEAF Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2C[C@H]1CCNC1 1772650354 DAIRRUAQSVPBCD-JTQLQIEISA-N 344.806 2.464 0 1 EEAF CCN(CC)C(=O)c1cc(N2CCN(C)CC2)nc2ccccc12 13644317 ZXPJAGFGRMDIOY-UHFFFAOYSA-N 326.444 2.469 0 1 EEAF CCC(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 13672092 IJEXPAQIPFKTDH-UHFFFAOYSA-N 333.351 2.382 0 1 EEAF O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 13801211 STBHTUOPFMOXDX-XNFNUYLZSA-N 341.407 2.387 0 1 EEAF O=C(O)[C@H](CCCCn1cnc2c1NC=NC[C@H]2O)c1ccccc1 13807336 HPKYTRFCSRXETB-HUUCEWRRSA-N 342.399 2.409 0 1 EEAF C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCc1ccncc1 1857551786 DYPBZMSQHMIOAT-ZDUSSCGKSA-N 334.379 2.065 0 1 EEAF O=C(N1CCOCC1)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 1364554 FDCXOWUTWXHGJB-LBPRGKRZSA-N 348.428 2.430 0 3 EEAF C[C@]1(O)CO[C@H]2C=C(COC(=O)C=Cc3ccc(O)cc3)CC[C@@H]21 2356465821 IUVKFRYCDSXZIC-LNLFQRSKSA-N 330.380 2.435 0 1 EEAF O=C(O)c1ccc(O[C@@H]2CC(=O)N2C(=O)NCc2ccccc2)cc1 6579990 BTBJESYDKWWNRJ-MRXNPFEDSA-N 340.335 2.232 0 1 EEAF N=C(N)c1ccc(N2CCC3(CCN(CCC(=O)O)CC3)CC2)cc1 28265603 AGKRCMBLMYQQBU-UHFFFAOYSA-N 344.459 2.128 0 1 EEAF COCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(C)c1 28093392 PQZUMYPQVSVDLC-UHFFFAOYSA-N 328.412 2.478 0 1 EEAF CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]1C(=O)c1nc2ccccc2s1 28395363 WXLHATMSVASNCW-OSMZGAPFSA-N 331.441 2.453 0 1 EEAF CC(C)NC[C@H](O)COc1ccc(SCCn2cccn2)cc1 27559680 VMJMCQXWQZIHJH-HNNXBMFYSA-N 335.473 2.413 0 1 EEAF CCCCNc1nc(N)c2[nH]c(=O)n(CCc3ccccc3)c2n1 28571325 DYUAWMRIDKNJBF-UHFFFAOYSA-N 326.404 2.157 0 1 EEAF O=c1ccc2cc(-c3cccnc3)ccc2n1CCN1CCOCC1 26499288 MNVKHFPWOMOZHH-UHFFFAOYSA-N 335.407 2.396 0 1 EEAF Cc1c(O)c(=O)c2c(O)oc(O)c3c(=O)c4c(c1c23)O[C@H](C)C4(C)C 2356822432 FVNRUHBMBARGAO-ZCFIWIBFSA-N 344.319 2.228 0 1 EEAF COc1cccc2c1[C@@H](O)c1ccc3c(c1C2=O)[C@H](O)C[C@](C)(O)C3 238772054 ICEXCCWZYVIBHD-ORPRQENYSA-N 340.375 2.052 0 1 EEAF O=C(NC[C@H]1C[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2O1)c1ccsc1 96083158 DTPBLFCGDQQOSP-NFAWXSAZSA-N 346.408 2.001 0 1 EEAF CC[C@@]12CCCN3CC[C@]4(c5ccccc5N(C=O)[C@@H]4[C@@H](O)C1)[C@H]32 238773739 VWBHBFJRXIASHC-OMQSBVIBSA-N 326.440 2.299 0 1 EEAF Cc1cc(CN2C[C@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)oc1C 299841943 FLBOJCVSFZWUQP-JQHSSLGASA-N 348.443 2.145 0 1 EEAF C[C@H]1CC(=O)N([C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)C1=O 299860444 GQRXXGYAFMFWJK-UWVGGRQHSA-N 342.317 2.105 0 1 EEAF COC(=O)c1ccnc2[nH]c(C[C@@H]3CCc4occc4C3=O)nc12 586906728 HBPWSGJQFVJAMM-VIFPVBQESA-N 325.324 2.325 0 1 EEAF Nc1ncnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 587007875 UFERJIQSHSATQW-UHFFFAOYSA-N 330.149 2.241 0 1 EEAF NC(=O)c1cccc2nc(CSc3ncccc3C(=O)O)[nH]c12 586969126 TUNMRWGUBOXDPP-UHFFFAOYSA-N 328.353 2.047 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)[C@@H]1CN(C)CC[C@@]1(C)O 963611203 QJNSOQFPPIHMKS-DIHFKTGWSA-N 348.487 2.156 0 1 EEAF C[C@@]1(c2cnc3sccn3c2=O)c2ccsc2CCN1C(N)=O 962705814 HAIZORDFPSUGIM-HNNXBMFYSA-N 346.437 2.018 0 1 EEAF C/C=C/[C@H]1Oc2ccc(OC)cc2N2C(=O)[C@@H](C)[C@H](OCOC)[C@@H]12 13783077 BSKPAPARTCMSGM-JMYXKGHUSA-N 333.384 2.373 0 1 EEAF COc1cc(O)c2c(c1)/C=C\C[C@H](O)[C@H](O)/C=C\[C@H](C)[C@@H](C)OC2=O 169341008 NAWYJXUUEIIVTF-HZYJLLGESA-N 348.395 2.277 0 1 EEAF O=C1O/C(=C(\C(=O)O)c2ccc(O)cc2)C(O)=C1c1ccc(O)cc1 209176338 QFIPVAAXLHOLFN-PEZBUJJGSA-N 340.287 2.420 0 1 EEAF CO[C@H]1CC(=O)N[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H](C(N)=O)[C@@]4(C)CC[C@@H]3[C@]12C 26390082 AXHBIEPEDODFJJ-OCUOSJBZSA-N 348.487 2.234 0 1 EEAF CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 40405856 HUGQKIWTNMQGCP-KRWDZBQOSA-N 330.453 2.477 0 1 EEAF CCCCC[C@H](C)NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C 618015103 UALDQNFMFJBSGL-JTOWHCCKSA-N 346.475 2.279 0 1 EEAF Cc1ccc(N[C@@H]2CN(Cc3cc(C)on3)C[C@H]3CCCO[C@@H]32)nn1 299842502 HINRMVBFSQLDIC-KYJSFNMBSA-N 343.431 2.173 0 1 EEAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1O 299885792 WBDPZUAJKIMBQJ-CLCXKQKWSA-N 346.427 2.246 0 1 EEAF Oc1nc(O)c2ccc(-c3ccc(-n4cncn4)cc3Cl)nc2n1 587368473 KQRZOSAWSWCOED-UHFFFAOYSA-N 340.730 2.337 0 1 EEAF NC(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 586967858 HFVBMOSJONIRQB-UHFFFAOYSA-N 328.353 2.047 0 1 EEAF CC[C@H](C)[C@H]1C=C([C@H](O)C[C@H](O)[C@H](O)C(=O)O)[C@@H]([C@@H](C)CC)C1 5925345 RKOUCPMGBBKLNK-NVJLLNLTSA-N 328.449 2.199 0 1 EEAF in-man COc1c2ccoc2c(OC)c2oc(=O)c(C[C@H](O)C(C)(C)O)cc12 15150257 ZGVWUTLWBHFMNG-LBPRGKRZSA-N 348.351 2.231 0 1 EEAF biogenic CNCCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21 3927116 KXMJOIWHVHUTOI-UHFFFAOYSA-N 333.388 2.228 0 1 EEAF CC[C@@H]1C[C@H]2C[C@H]3[C@H]1N(C2)C[C@H](O)[C@]31Nc2ccc(OC)cc2C1=O 2356332429 DSABJRUCTHPZJA-HFFMJASGSA-N 342.439 2.153 0 1 EEAF O=c1c2cnc(NCc3cccnc3)nc2ccn1Cc1cccnc1 6745588 KUZWQOICPCWVCK-UHFFFAOYSA-N 344.378 2.242 0 1 EEAF C[S@](=O)c1ccc(C(=O)c2ccc3n2CCC[C@H]3C(=O)O)cc1 25991904 RELMGKYHTMTUJD-JCQPUDPBSA-N 331.393 2.419 0 1 EEAF Nc1nc(-c2ccco2)c2ncn(Cc3cccc(C(=O)O)c3)c2n1 29048121 UMKVVIWHHKNNEB-UHFFFAOYSA-N 335.323 2.415 0 1 EEAF COc1cccc2c1[C@](O)(C(=O)O)[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 2356697562 VGWFYUHDOBADTL-HNONPPJISA-N 334.368 2.130 0 1 EEAF CCCCC[C@@H]1CCC[C@H](O)C[C@H](O)C[C@@H](O)CC=CC(=O)O1 2356788689 CIKXQDGRSUPQKJ-LUKYLMHMSA-N 328.449 2.472 0 1 EEAF CSc1nnc(-c2cccc(NC(=S)N3CCOCC3)c2)o1 73196861 OEIMFXCHFQOKMF-UHFFFAOYSA-N 336.442 2.488 0 1 EEAF Cc1[nH]ncc1-c1cc2nc(CN3CC[C@H](F)C3)[nH]c(=O)c2s1 145157785 FDEJAQFDFFZDST-VIFPVBQESA-N 333.392 2.227 0 1 EEAF Cn1cccc1C(=O)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 96273578 YXFLMKWLBYKTKG-WOJBJXKFSA-N 338.451 2.448 0 1 EEAF O=c1ccn(CCCCOc2ccc(Br)cc2)c(=O)[nH]1 96906982 PPCGQZLMIWCSDX-UHFFFAOYSA-N 339.189 2.158 0 1 EEAF O=C(Cc1ccsc1)N1C[C@H]2OCCN(Cc3ccoc3)C[C@@H]2C1 299842150 JQJJYRRIUUUZKJ-IAGOWNOFSA-N 346.452 2.243 0 1 EEAF CCOC(=O)/C(=C\N(C)C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587385953 GAWPJUBKHJDJBL-HGZMWJMZSA-N 332.400 2.310 0 1 EEAF Oc1nc(O)c2ccc([C@H]3CN(Cc4ccccc4)CCO3)nc2n1 587559512 YYLCMFPWQVRINX-OAHLLOKOSA-N 338.367 2.010 0 1 EEAF NS(=O)(=O)c1cccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc12 587069746 JXCPFLHMSNVVMY-UHFFFAOYSA-N 349.799 2.289 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1noc(C)n1 587872406 XHHQJAMGHUXUHR-UHFFFAOYSA-N 331.307 2.860 0 1 EEAF Cc1c(O)ccc2c1[C@H](c1ccc3cn(C)nc3c1)N[C@H](C(=O)O)C2 963557575 XSEZRWFREPSXBA-YJBOKZPZSA-N 337.379 2.276 0 1 EEAF COc1cc(C[C@H]2COc3cc(O)c(OC)c(O)c3C2=O)ccc1O 13481957 JTUMKSBLAMJZPG-JTQLQIEISA-N 346.335 2.255 0 1 EEAF biogenic O=C1CS[C@H](c2c(F)cccc2F)N1n1cnc2cncnc21 169351449 YEACZHSVPDETME-CQSZACIVSA-N 333.323 2.015 0 1 EEAF CNC[C@@H](O)CN1CCc2c(cccc2OCc2cccc(F)c2)C1 1857616135 GPZFLSLTALXQMB-GOSISDBHSA-N 344.430 2.343 0 1 EEAF CC1CCN(C(=O)Cn2ncc3c(=O)oc4ccccc4c32)CC1 429322 ABBJPAWOZUJQMY-UHFFFAOYSA-N 325.368 2.401 0 1 EEAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@@H](NC2CCCCC2)C[C@H]1O 2356289107 POAOAAKLQHFLLT-CADBVGFASA-N 345.487 2.177 0 1 EEAF COC1=C2C[C@@H](C(C)(C)O)O[C@@H]2N(C)c2c1ccc(OC)c2OC 2356804066 AALRYELCQPWEHI-GUYCJALGSA-N 335.400 2.397 0 1 EEAF N[C@@H]1CCN2C(=O)c3cc(C=Cc4ccc(O)cc4)ccc3NC(=O)[C@H]12 2356837303 LJCRXTUZYVQQAS-AEFFLSMTSA-N 349.390 2.057 0 1 EEAF NC1=NC2(CCCCC2)N(OCCCOc2ccc(F)cc2)C(N)=N1 72106320 ZLQRBTXGNMZCJP-UHFFFAOYSA-N 349.410 2.132 0 1 EEAF O=C(C1CCCCC1)N1CC(=O)N2CCc3ccc(O)cc3[C@@H]2C1 82151414 WEKXQEQCPLQSMD-KRWDZBQOSA-N 328.412 2.241 0 1 EEAF Cc1ccc2[nH]c(Sc3c(C)[nH]c4nc(N)[nH]c(=O)c34)nc2c1 49071275 CSUGPSOCLPHFJZ-UHFFFAOYSA-N 326.385 2.478 0 1 EEAF N[S@@](=O)(CCc1ccccc1)=N[C@@H](Cc1ccccc1)C(=O)O 96891115 CWFDCZCRHYGBEE-HJPURHCSSA-N 332.425 2.267 0 1 EEAF CCCCCn1c(=O)n(O)c(=O)c2c1ncn2CCc1ccccc1 473089019 QJZWLILWASSSHU-UHFFFAOYSA-N 342.399 2.030 0 1 EEAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCO3 586962997 WDVWYVBLXUBMJN-ZCFIWIBFSA-N 331.357 2.223 0 1 EEAF CC1=C(c2ccc3nc([C@@H](N)c4ccsc4)[nH]c3c2)NNC(=O)C1 587028071 VQZCYXVGJNESTH-HNNXBMFYSA-N 339.424 2.428 0 1 EEAF N=c1[nH]cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc-2[nH]1 587079312 ILXGNCXQAFWXKI-SNVBAGLBSA-N 327.779 2.094 0 1 EEAF COc1ccc2c(c1OC)[C@H](c1ccncn1)NCC21CCOCC1 963195473 ZHAJSBUNDZDDPM-KRWDZBQOSA-N 341.411 2.235 0 1 EEAF Cc1ccccc1S(=O)(=O)N1C(=O)CN(c2ccccc2)C1=O 13763556 IBEGBFCTASGHKK-UHFFFAOYSA-N 330.365 2.153 0 1 EEAF CCn1c(=O)c2c(nc(CCCc3ccccc3)n2C)n(CC)c1=O 169699059 NTNINBRUEONNHF-UHFFFAOYSA-N 340.427 2.112 0 1 EEAF CN(C)CCCCN1C(=O)C[C@]2(CCCc3ccc(O)cc32)C1=O 3631742 UBEHQYMQRWDKNH-IBGZPJMESA-N 330.428 2.067 0 1 EEAF C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12 29129028 ZZAOLDVNKJEEFU-SECBINFHSA-N 348.453 2.465 0 1 EEAF COc1ccc(CN2CCOC[C@@H](Oc3cccc(C)n3)C2)cn1 2356439864 DZFWGGDBXKPWRK-INIZCTEOSA-N 329.400 2.073 0 1 EEAF O=C1N=C(O)C2(CCN(CC[C@H]3CC(=O)c4ccccc4C3)CC2)N1 28468533 GFBHXJNBKTVEMY-CYBMUJFWSA-N 341.411 2.336 0 1 EEAF C[C@]1(O)CCN(CC2CC2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356758738 CZNNTSRAVGNGHE-HBFSDRIKSA-N 328.456 2.489 0 1 EEAF Cc1n[nH]c2c1[C@H](c1cncc(Br)c1)C1=C(COC1=O)N2 71295214 GXSDCHIBIZUEPB-NSHDSACASA-N 347.172 2.244 0 1 EEAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H]([C@@H]3CCO3)C[C@H]2CS1 221411752 DZPLYXXEXZWQOK-BMKFTJPRSA-N 340.395 2.416 0 1 EEAF CCCC[C@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1 147344391 NUIXEUAEKRDSJR-ZDUSSCGKSA-N 346.406 2.377 0 1 EEAF Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(C)on2)n1 299841659 AGNLBAMBDRZJNQ-IRXDYDNUSA-N 326.400 2.175 0 1 EEAF Nc1ncc(Cl)nc1-c1nc2ccc(Br)nc2[nH]1 587086345 GNZMHFJJBZMFFE-UHFFFAOYSA-N 325.557 2.413 0 1 EEAF NS(=O)(=O)c1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1 587089700 GJSRKHGBODYISZ-MRVPVSSYSA-N 331.678 2.134 0 1 EEAF COc1cncc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587194862 YSGKTXGUEXFRNC-NSHDSACASA-N 349.435 2.484 0 1 EEAF C[C@H](O)c1ncc(-c2nc3nc(Br)c[nH]c-3n2)s1 587022838 ZUPHHNAGABWGES-BYPYZUCNSA-N 326.179 2.244 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1OCC(N)=O)O2 587389518 KXRVHXCRMWPIRH-LJQANCHMSA-N 340.379 2.322 0 1 EEAF CC1=C(c2ccc3nc(CC[C@@H](C)CC(=O)O)[nH]c3c2)NNC(=O)C1 587962288 CTMNQPOJQZHDTE-SNVBAGLBSA-N 342.399 2.362 0 1 EEAF O=C(O)C[C@@H](O)Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586887059 DFLQPJLOZZJFHN-YFKPBYRVSA-N 338.669 2.493 0 1 EEAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccnc(O)c3[nH]2)cc1 586941837 XCOVEBJOAZOWCY-CLFYSBASSA-N 344.396 2.062 0 1 EEAF CNC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F 1772631055 IGVGDCJWZAOOJR-UHFFFAOYSA-N 330.363 2.119 0 1 EEAF COc1ccc(C2=NN(CC(=O)O)C(=O)CC(C)(C)C2)cc1OC 1772593664 XVXWJTFSUJMCPX-UHFFFAOYSA-N 334.372 2.141 0 1 EEAF c1cc(Cc2ccc(NC3=NCCN3)cc2)cc(NC2=NCCN2)c1 169329635 JXFPQKSLBICCKL-UHFFFAOYSA-N 334.427 2.020 0 1 EEAF O=C(NCc1c(F)cccc1F)[C@@H]1CCCN(c2ncccn2)C1 203475566 HYOPOKXXJCNGLK-GFCCVEGCSA-N 332.354 2.288 0 3 EEAF Cc1c(-c2ccccc2)c(=O)oc2ccc(OS(N)(=O)=O)cc12 28013447 YMQGIYSZQGSHEP-UHFFFAOYSA-N 331.349 2.351 0 1 EEAF COc1ccc(CCc2n[nH]c(=O)n2-c2ccccc2OC)cc1 103175020 QVRJSLZVLYPJGM-UHFFFAOYSA-N 325.368 2.363 0 1 EEAF Cc1noc(C)c1Cn1cc(NC(=O)c2ccc3[nH]nnc3c2)cn1 115731658 OPGKEVBHBWMEMY-UHFFFAOYSA-N 337.343 2.060 0 1 EEAF O=C1CC[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 29234657 XNXORWDKIQPSNX-WZBLMQSHSA-N 325.408 2.411 0 1 EEAF C[C@@H]1O[C@@H](OCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O 219955422 FDWVWTCEWSMDGI-DSKDDBFVSA-N 330.421 2.231 0 1 EEAF in-vitro COc1cc2c(cc1O)CN[C@@H]1Cc3c(ccc(OC)c3O)C[C@H]21 238771155 DJRZPPQHJDVOQW-HUUCEWRRSA-N 327.380 2.469 0 1 EEAF COc1cnc(NCc2ccccc2)nc1-c1cc2c([nH]1)CCNC2=O 95561545 VUVUREKZWANTPW-UHFFFAOYSA-N 349.394 2.378 0 1 EEAF CCOC(=O)Cn1cnc2c(oc3nc(C(F)(F)F)ccc32)c1=O 653695849 YCTJBFLAFJEPBS-UHFFFAOYSA-N 341.245 2.120 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1cncn1)(C1(Cl)CC1)O2 587376219 QPHZQPXNCGEUET-MRXNPFEDSA-N 332.791 2.344 0 1 EEAF CCS(=O)(=O)NCCCc1nc2c(Cl)c(Cl)cnc2[nH]1 586942942 UJLMUNFRTSQBEZ-UHFFFAOYSA-N 337.232 2.137 0 1 EEAF CCOC(=O)[C@@H]1CSC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587453397 QKFFPPHVHNYINV-PEBVRCNWSA-N 334.393 2.108 0 1 EEAF O=c1ccc2cc(OC[C@@H](O)CNCc3ccc(F)cc3)ccc2[nH]1 13888472 DLVOWICLUZYQRD-INIZCTEOSA-N 342.370 2.197 0 1 EEAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2nccs2)CC[C@]1(C)O 2356320922 ZGIQAXZKTRGSNA-KSZLIROESA-N 345.468 2.346 0 1 EEAF C[C@]1(CO)C(=O)CC[C@]2(C)[C@H]1CCC1=C[C@H]3C[C@@]12CC[C@]3(O)CO 2356325550 PRQDTDUAOQWUMJ-AFMPOKAISA-N 334.456 2.214 0 1 EEAF Cn1c(CO[C@@H]2CN(Cc3ncc[nH]3)C[C@H]2F)nc2ccccc21 2356302351 SMBZESRYYBNCOX-IUODEOHRSA-N 329.379 2.036 0 1 EEAF CCNC(=O)[C@@]1(C)CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 61907182 RKYKFWYJRDIGOC-IBGZPJMESA-N 348.443 2.011 0 3 EEAF CO[C@H]1C(=O)N(SC)[C@H]1c1ccccc1I 38894577 WYKFFHYFPWXNIE-VHSXEESVSA-N 349.193 2.468 0 1 EEAF Nc1nccc(-c2cc3c([nH]2)[C@@H](CCC(F)(F)F)CNC3=O)n1 40974168 HOLYMSXFIGUWKL-ZETCQYMHSA-N 325.294 2.223 0 1 EEAF NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Cl)c1 96928852 AATZUTDBJZAJGP-UHFFFAOYSA-N 342.779 2.308 0 1 EEAF CN(CCOc1ccc([C@H]2NC(=O)CS2)cc1)c1ccccn1 96906743 QGQRIRIWKLXDGX-KRWDZBQOSA-N 329.425 2.458 0 1 EEAF CCCCNS(=O)(=O)c1ccc2nc(-c3c[nH]ccc3=N)[nH]c2c1 587249256 KGXQXINJTJXPIS-UHFFFAOYSA-N 345.428 2.116 0 1 EEAF Nc1cc(C(=O)O)cc(-c2nc3nc(Br)c[nH]c-3n2)c1 587249255 KCTYPVCKTNAUPH-UHFFFAOYSA-N 334.133 2.014 0 1 EEAF Cc1c(Br)cnc2[nH]c([C@H](O)C3CCOCC3)nc12 586913479 LTALVLKTEHXOGX-LLVKDONJSA-N 326.194 2.489 0 1 EEAF CC1=C(c2ccc3nc(-c4cnc(Cl)nc4)[nH]c3c2)NNC(=O)C1 587085309 SCHBLZDILGQGTB-UHFFFAOYSA-N 340.774 2.429 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(C(N)=O)cs1 963642305 YEWCQUIBRWPLKH-XXFAHNHDSA-N 332.425 2.488 0 1 EEAF CCOC(=O)C[C@@]1(C2CCOCC2)NCCc2nc3ccccn3c21 962987304 KYGMWJMAWCPJSU-IBGZPJMESA-N 343.427 2.055 0 1 EEAF Oc1cc(N2CCN(Cc3cccc4ccccc34)CC2)nc(O)n1 1857558669 WKALFVUNIUNKBJ-UHFFFAOYSA-N 336.395 2.363 0 1 EEAF NC(=O)c1c[nH]c2ccc(-c3cccnc3)cc2c1=NC1CCOCC1 1857630353 YUJKPGQGVBPUDS-UHFFFAOYSA-N 348.406 2.409 0 1 EEAF Cc1ccc2c(c1)N(CCC(=O)NCCCOC(C)C)C(=O)[C@@H](C)O2 3907311 YTVAHKXWZFSUCL-OAHLLOKOSA-N 348.443 2.430 0 3 EEAF CN1C(=O)CSc2ccc(NC(=O)NCc3cccnc3)cc21 4057513 LXKSZUQXOFQKHZ-UHFFFAOYSA-N 328.397 2.472 0 3 EEAF C/C=C(\C)[C@H]1Oc2ncc(-c3ccccc3)c(O)c2C1(CO)CO 9133492 FKZNPCVXRTWCQK-SHDNAJFMSA-N 327.380 2.404 0 1 EEAF COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=Nc3nnnn32)c1 101699297 MCHSONOVTSFNPH-HNNXBMFYSA-N 327.344 2.362 0 1 EEAF C[C@@H]1C[C@H](NC(=O)c2c(O)n3ccsc3nc2=O)CC(C)(C)C1 100494546 DSPAHKILGVVFPA-ZJUUUORDSA-N 335.429 2.406 0 3 EEAF CCO[C@@H]1C=C[C@]23c4cc5c(cc4[C@H](OC)O[C@H]2CN[C@@H]3C1)OCO5 2356306212 HIRWMWMVHFIAHG-ODCUEMAGSA-N 345.395 2.034 0 1 EEAF Cc1ccc(N2CCN(CCNC(=O)c3cccnc3)CC2)c(C)c1 28473675 LLECKUACDUYOJG-UHFFFAOYSA-N 338.455 2.250 0 1 EEAF O=C1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]2N1c1ccccc1 2356742540 DGQDSHAKOJDZLF-QZTJIDSGSA-N 326.371 2.442 0 1 EEAF COc1cc(C[C@@]2(O)COc3cc(O)ccc3[C@@H]2OC)ccc1O 95557802 YKESZSLDFNFOLO-ZWKOTPCHSA-N 332.352 2.160 0 1 EEAF CC(=O)N1N=C(c2ccco2)O[C@@H]1C(=O)N(CC(C)C)CC(C)C 299851578 GVLMTOVXSMGBQP-QGZVFWFLSA-N 335.404 2.287 0 1 EEAF O=C1CSC[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)N1 587043368 LAMFIBKFBWXPAO-ZETCQYMHSA-N 330.182 2.369 0 1 EEAF CCN(CC)CCCNC(=O)c1cn([C@@H](C)c2ccccc2)nn1 201487496 BSSSFXKLXNEACK-HNNXBMFYSA-N 329.448 2.349 0 3 EEAF CNC[C@H](O)CN1CCc2c(cccc2OCc2ccccc2F)C1 1857591832 TVVBPKCDOXMKJS-KRWDZBQOSA-N 344.430 2.343 0 1 EEAF CS(=O)(=O)c1cc(Nc2ccc(Br)cc2)ncn1 1724050 WIBVMHBUKZMPEZ-UHFFFAOYSA-N 328.191 2.386 0 1 EEAF CCCCOC(=O)[c-]1cc2c3ccccc3nc-2c([C@H](O)CO)n1 2356291347 REMYPOIKVCEMAX-OAHLLOKOSA-N 327.360 2.436 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1C[C@H](O)[C@H]1[C@@H]3C[C@@H](C[C@@H]12)OC3=O 104370940 OEIFXOHVCYVTGK-YZIPPQTGSA-N 346.379 2.223 0 1 EEAF in-man O=C(N1C[C@@H]2CC[C@H](C2)C1)N1C[C@@H]2CN(c3ccccn3)C[C@@H]2C1 101695035 SUJOVYPQNKHIBN-VQHPVUNQSA-N 326.444 2.302 0 1 EEAF CCCn1cc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1 115626238 IOXXSFBSYQIRGI-UHFFFAOYSA-N 326.404 2.422 0 1 EEAF N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cc(OCCN)ccc12 113277333 WSYRNMNHJLVJBN-UHFFFAOYSA-N 337.335 2.243 0 1 EEAF CC=C(C)C(=O)OC[C@](C)(O)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 2356643141 IVIDHJTYZDMSNL-BEFAXECRSA-N 344.363 2.357 0 1 EEAF C#C[C@]1(O)[C@H](O)C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3[C@@H](OC)C[C@@]21C 27441732 OOMBHDXDTAYDBF-NTHNXFDUSA-N 342.435 2.208 0 1 EEAF biogenic N[C@@H](CCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1)C(=O)O 473117943 JCEGBDGPLVFEID-LBPRGKRZSA-N 338.367 2.361 0 1 EEAF Nc1ccccc1-c1[nH]c2c(C(=O)O)cccc2c1[C@@H](N)C(=O)O 587638835 WGXXCZGVPVFVQH-CYBMUJFWSA-N 325.324 2.200 0 1 EEAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(N)ncc3[nH]2)C(F)(F)C1 587131727 BQZLKHGUIZWTSV-QMMMGPOBSA-N 339.346 2.510 0 1 EEAF O=C(c1cc(-c2ccc[nH]2)[nH]n1)n1ncc2ccc(Cl)cc2c1=O 587654909 PPFVRQFBUFAXKC-UHFFFAOYSA-N 339.742 2.457 0 1 EEAF CN(C(=O)c1cc(COc2ccc(F)c(F)c2)on1)[C@H]1CCOC1 11718898 MUKJWSUFGUSWIY-JTQLQIEISA-N 338.310 2.393 0 3 EEAF CCN(CC)C(=O)c1cn(C2CCN(Cc3ccco3)CC2)nn1 14981588 AMEDCFDEJVBXST-UHFFFAOYSA-N 331.420 2.190 0 1 EEAF C[C@H]1[C@@H](NC(=O)[C@@H]2CCOC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711344 NTRRNKRZUXQCQV-MZZPOWALSA-N 334.460 2.099 0 3 EEAF CC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccccn1 1857582792 DUUYYFNROJZQBM-UHFFFAOYSA-N 346.452 2.383 0 1 EEAF CCCCCCN1C=N[C@H]2C(=O)NC(Cc3ccc(OC)cc3)=N[C@H]21 1857613658 DGXPTBNZMJWUOG-MSOLQXFVSA-N 342.443 2.385 0 1 EEAF CSc1nc(NCc2ccccc2)c2cnn(COCCO)c2n1 1662673 OKHZIBFFQPAPMQ-UHFFFAOYSA-N 345.428 2.127 0 1 EEAF O=C1Nc2ccc(C=Cc3ccccc3)cc2C(=O)N2C[C@H](O)C[C@H]12 2356314398 HIAHNCPXMFOGNU-CRAIPNDOSA-N 334.375 2.385 0 1 EEAF C[C@H]1CCC[C@H](NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)[C@@H]1C 3896579 BDCKNWKPUSJFDZ-TUAOUCFPSA-N 349.456 2.082 0 1 EEAF CS(=O)(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccccc2)no1 61905630 GWFGITRAGNHKGL-AWEZNQCLSA-N 349.412 2.414 0 3 EEAF COc1ccc(CCNC[C@@H](O)COc2ccc(F)c(O)c2)cc1 26379170 VTNAGDKTQFYLSR-CQSZACIVSA-N 335.375 2.112 0 1 EEAF OC[C@@H]1O[C@H](n2cnc3c(NC4CCCCCC4)ccnc32)C[C@@H]1O 26508688 YKCUGFGVEQMOFA-JYJNAYRXSA-N 346.431 2.207 0 1 EEAF COC(=O)C[S@@](=O)C[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 28461644 SVDJATZZTSSCDA-ZIACGZRISA-N 343.876 2.297 0 1 EEAF COc1ccc(C2=NN(CCCO)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26570859 VUISAJWDMBCIQP-CABCVRRESA-N 346.427 2.439 0 1 EEAF O=C(c1ccnc(N2CCO[C@@H](C(F)(F)F)C2)c1)N1CCCC1 71752720 JRWZMISGVQYQBF-GFCCVEGCSA-N 329.322 2.085 0 1 EEAF Cc1c(Cc2cc(Cl)cc(Cl)c2)c(C(N)=O)nn1CCO 45299351 IZFMQDZGGRCIFK-UHFFFAOYSA-N 328.199 2.180 0 1 EEAF CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1Cc1cccnc1 95599011 SBDNUKGEMJDYJL-MRXNPFEDSA-N 334.383 2.394 0 3 EEAF COC(=O)c1ccc2[nH]c(-c3c(N)cncc3OC)nc2c1OC 587254437 PZCDYSKDGGAYPB-UHFFFAOYSA-N 328.328 2.011 0 1 EEAF COC(=O)c1ccnc2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc12 587155243 IXFLNMLMNNCGHD-APPDUMDISA-N 326.331 2.225 0 1 EEAF CC(=O)OC[C@@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962656680 BVAANHSDJMENND-OALUTQOASA-N 342.395 2.112 0 1 EEAF O=C(O)c1cccc2c1CCNC21CCC(N2CCOCC2)CC1 963118180 ALJAJAYKINDDPO-UHFFFAOYSA-N 330.428 2.001 0 1 EEAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)CCO2 14966258 VDMCOJCRDIIQBP-UHFFFAOYSA-N 343.431 2.106 0 1 EEAF CC(C)(C)c1ccc(OC[C@@H](O)Cn2cnc3c(N)ncnc32)cc1 169318235 KALNBTBYJVKHRW-ZDUSSCGKSA-N 341.415 2.146 0 1 EEAF O=C(O)c1nc2c(Br)cc(Br)cc2c(=O)[nH]1 169339040 VQXZVBAYIAMCQY-UHFFFAOYSA-N 347.950 2.146 0 1 EEAF COc1ccc2c3c1O[C@H]1C(OC)(OC)C[C@]4(C=C2)CN(C)CC[C@@]314 169463267 FRGLCSZKHVYAEC-GUDVDZBRSA-N 343.423 2.436 0 1 EEAF CC[C@@H](C)[C@@]12OC(=O)[C@@]3(O)C[C@@H](O1)c1c(cc(O)c(C)c1O)[C@@]23C 1857632416 RHIUTYRDTYSZNQ-KAOYCELSSA-N 334.368 2.169 0 1 EEAF CCOC(=O)C(C#N)=CN1CCN(C(=O)CCCl)c2ccccc21 1562185 RVHCRFPJSKYOMB-UHFFFAOYSA-N 347.802 2.439 0 1 EEAF C[C@@]1(C(=O)N[C@H](CO)Cc2ccccc2)CON=C1c1ccccc1 234301 JIFLODGGPQCBGP-FXAWDEMLSA-N 338.407 2.147 0 1 EEAF Cc1ccc(F)cc1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC(C)C 1014210 OMTCSMHLFFDIBF-HIFRSBDPSA-N 338.379 2.300 0 1 EEAF O=C(Cc1c[nH]c2cc(O)ccc12)N[C@@H](Cc1ccccc1)C(=O)O 59211721 XYOSMXFVURVKBE-KRWDZBQOSA-N 338.363 2.228 0 1 EEAF in-vitro O=C1[C@@H]2C=C(Br)[C@H](C[C@@H]2OCCCCCCO)[C@@]12CO2 100264570 VHTXGBQCZVQBHU-MPXAEWJHSA-N 345.233 2.191 0 1 EEAF Cc1cc(Nc2nn(C[C@@H]3CCCNC3)c(=O)c3ccccc23)[nH]n1 40975593 UTJCWHWJCSFLDV-CYBMUJFWSA-N 338.415 2.171 0 1 EEAF CC(=O)OCC1=C2CCC=CC[C@H](OC(C)=O)C(C)=C[C@@H]2OC1=O 2356529274 ZTLGDKVCFHURRE-IRXDYDNUSA-N 334.368 2.390 0 1 EEAF COc1ccc(CCNCC/N=c2/cccccc2O)cc1OC 29560274 IVJGZNPRNPTFSE-UHFFFAOYSA-N 328.412 2.142 0 1 EEAF CN1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccc(F)cc3)C[C@@H]21 95894716 YJFOHBYNLUUPSE-RCCFBDPRSA-N 326.371 2.245 0 1 EEAF Nc1ncc(-c2cc(N3C[C@@H]4CC[C@H]3C4)nc(N3CC4CC3C4)n2)cn1 653762387 RDHLKTLLWDDOBZ-PKKNCYCMSA-N 349.442 2.103 0 1 EEAF CCc1ccc([C@]2(C(O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587452463 UZQDAZBIRGQIOZ-QRWLVFNGSA-N 340.375 2.211 0 1 EEAF NS(=O)(=O)c1ccc(CCc2nc3cc(F)cc(F)c3[nH]2)cc1 586930308 QEKDULXGKRUVMY-UHFFFAOYSA-N 337.351 2.274 0 1 EEAF COc1c(F)ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1N 587133340 OQAVNXUYIHLLOF-UHFFFAOYSA-N 328.303 2.291 0 1 EEAF CC(=O)c1cc(/C=C/S(N)(=O)=O)cc(C(=O)c2ccccc2)c1 13438162 PLAOHLPEZSUPBW-BQYQJAHWSA-N 329.377 2.379 0 1 EEAF COc1c(O)cc2oc3c(c(=O)c2c1O)OCc1cccc(O)c1-3 14725554 BJGPJGLFIWNAAZ-UHFFFAOYSA-N 328.276 2.478 0 1 EEAF biogenic,in-vitro CCSCCCNC[C@@H](O)COc1ccc(NC(C)=O)cc1 169331474 RYIRRMMDDDZHBD-OAHLLOKOSA-N 326.462 2.118 0 1 EEAF CNC(=O)Nc1c(OC)ccc(OC)c1OCCN1CCCCC1 29406556 KMQXRZNNAUYKTG-UHFFFAOYSA-N 337.420 2.320 0 1 EEAF CCN1CCN(c2ncc(C)c(NCCc3ccc(O)cc3)n2)CC1 82202399 JBAMUOLSVOFLNX-UHFFFAOYSA-N 341.459 2.287 0 1 EEAF CN1CCCCN2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 95875506 IONGPUPOKVRUOO-HRCADAONSA-N 339.277 2.303 0 1 EEAF CCN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O 149344530 AXIAMKNULPHGQG-CQSZACIVSA-N 346.452 2.437 0 1 EEAF COc1cc(C)c2c3c1O[C@H]1[C@@H](O)[C@H](C)C[C@H]4[C@@H](C2)N(C)CC[C@]314 96910743 NJMQCEQGPCHKGG-JWRNYFHVSA-N 329.440 2.280 0 1 EEAF CCOC(=O)CNc1ccc(-c2nc3nc(N)nc(Cl)c3[nH]2)cc1 587227566 OCGQQLVPFITAJX-UHFFFAOYSA-N 346.778 2.231 0 1 EEAF Cc1nc2cccc3c2c(c1C[C@H](N)C(N)=O)-c1ccccc1C3=O 587104725 HXXSXEUSCMJDKO-HNNXBMFYSA-N 331.375 2.110 0 1 EEAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(OC)nc2[nH]1)C(C)C 586932117 ARMDQTPDTNBYHP-CYBMUJFWSA-N 340.449 2.383 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN[C@H](C(=O)O)[C@@H]2C1 587481647 GWZHPCTVXOSPHW-JIELNVRKSA-N 345.395 2.131 0 1 EEAF CCOC(=O)C[C@@]1(C2(C)CC2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963466721 DXOJWJCWGAGFKE-ORAYPTAESA-N 347.411 2.248 0 1 EEAF CCOC(=O)C[C@]1(c2cnccn2)NCCc2ccc(F)c(C)c21 962095186 WKOFMBWWNBBKIB-GOSISDBHSA-N 329.375 2.267 0 1 EEAF CC[C@]1(CC(=O)O)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962630805 FWCBWESYGVSHLB-OALUTQOASA-N 342.395 2.413 0 1 EEAF Cc1cc2c(cc1O)[C@@]1(CC(=O)CC3(CCC3)C1)N[C@H](C(=O)O)C2 963488787 FSWODJGHACGGBT-KXBFYZLASA-N 329.396 2.418 0 1 EEAF CSCCNC(=O)c1cc(Cn2c(C)nc3ccccc32)on1 11662943 YAWFIQOXRDEMQF-UHFFFAOYSA-N 330.413 2.474 0 1 EEAF Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(N)=O)cc1 252963 BTMQYPMGNFCFNX-UHFFFAOYSA-N 341.440 2.082 0 3 EEAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NC2CCCC2)n1 2356289086 PHKFBBGGCVPQDH-BSDSXHPESA-N 347.503 2.207 0 1 EEAF COc1c(C)c2c(c(O)c1CSCCCC(=O)O)C(=O)OC2 27897551 ZARBRKPGRSOJRQ-UHFFFAOYSA-N 326.370 2.478 0 1 EEAF CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3cc(O)ccc13)C2 101316626 IJQKBGDDQMPHRI-STQMWFEESA-N 328.416 2.024 0 1 EEAF CCCNC(=O)[C@]1(C)CCCN(C(=O)Cc2cccc(OC)c2)C1 61926038 WLAFTGDQFHCEJP-LJQANCHMSA-N 332.444 2.393 0 3 EEAF Cc1cnc(N2CCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)nc1 26265331 CSCKBVGNIMBIKB-UHFFFAOYSA-N 334.427 2.497 0 1 EEAF CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccoc2)c1 116577761 LQVAKIPEPMTRSV-UHFFFAOYSA-N 335.360 2.239 0 1 EEAF C[C@]1(CO)[C@@H]2CC[C@@]34C=C[C@@](CO)(CC[C@H]3[C@@]23CC[C@@]1(O)OC3)C4 2356799214 UDLYZSYTTZQPRJ-QTCMIBMWSA-N 334.456 2.229 0 1 EEAF CCC(CC)C(=O)N1CC[C@H]2NC(=O)N(c3ccccc3)C(=O)[C@H]21 4260625 IDZZATKCMVWDHK-CABCVRRESA-N 329.400 2.149 0 1 EEAF biogenic NC(=O)c1ccsc1NC(=O)Cc1cc(F)cc2c1OCOC2 71329067 DQXPJCPEEKJMNI-UHFFFAOYSA-N 336.344 2.034 0 1 EEAF COc1ccc(CCNC(=O)C2=CC(C)(C)NC2(C)C)cc1OC 40466792 DKHYHJSZQGTCDL-UHFFFAOYSA-N 332.444 2.449 0 1 EEAF Cn1cc(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)cn1 221451193 CNYAMQPOWVDPFG-UHFFFAOYSA-N 334.383 2.375 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1C[C@H](O)[C@@H]1[C@H]3C[C@@H](C[C@H]12)OC3=O 238778051 OEIFXOHVCYVTGK-WBZXIVPDSA-N 346.379 2.223 0 1 EEAF COc1ccc([C@H]2COc3cc(O)cc(O)c3C2=O)c(OC)c1OC 37538891 AWVBLGIHLGQXOY-LLVKDONJSA-N 346.335 2.483 0 1 EEAF biogenic CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cn3)nc2c1 587194461 GISDOPCEMOMAEN-UHFFFAOYSA-N 330.413 2.485 0 1 EEAF CC1(C)OC(=O)C(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)=C1N 587255817 XZTQELOSEXCLPL-UHFFFAOYSA-N 349.394 2.400 0 1 EEAF COc1ccc(-n2nc3c(c2NC(=O)C(C)C)C[S@](=O)C3)cc1 212280 CPALHUIPKYLVEQ-HSZRJFAPSA-N 333.413 2.238 0 1 EEAF COc1cccc(CN(C)S(=O)(=O)c2c(C)noc2C)c1OC 7246647 VBCYEFVJNUKACG-UHFFFAOYSA-N 340.401 2.129 0 3 EEAF Nc1ccccc1-c1cnnn1-c1ccc2c(c1)C=CS(=O)(=O)O2 103241901 VIPGBOUVBJVJJM-UHFFFAOYSA-N 340.364 2.209 0 1 EEAF O=C1CC[C@H](O)[C@@H]2[C@H]1[C@H](O)C=CC21Oc2cccc3cccc(c23)O1 2356505575 JDOPKJKDJUPYHU-GTYSZEQSSA-N 338.359 2.194 0 1 EEAF CCN[C@@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 27742718 CMAIJBPTLSJZBL-LBPRGKRZSA-N 346.427 2.166 0 1 EEAF CC(=O)Oc1ccc(Cn2c(C)c(C(=O)NC3CC3)sc2=O)cc1 61928223 PPNQGGDDSLXDML-UHFFFAOYSA-N 346.408 2.084 0 3 EEAF CCNC(=O)[C@@]1(C)CCCN(C(=O)c2cc(C)nn2C(C)(C)C)C1 61925919 VNKKIGHQJLJGMX-SFHVURJKSA-N 334.464 2.325 0 3 EEAF Cc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 73140707 RPSSLMKQCAIEBU-UHFFFAOYSA-N 331.397 2.325 0 1 EEAF O=C(N[C@@H]1CCCCNC1=O)c1csc(Nc2ccccc2)n1 82086292 AKGUHRXLMJPYFB-GFCCVEGCSA-N 330.413 2.285 0 1 EEAF CC1(C)CC[C@H](O)[C@]2(C)[C@@H]3Cc4occc4[C@H]4C(=O)O[C@@H](C[C@]12O)[C@@H]43 95909947 NSXNSJSUAMXKCX-FTJULLJESA-N 346.423 2.399 0 1 EEAF biogenic,in-vitro COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@@H]1C=CO[C@]1(C)O2 95909347 YSUCHUGGULCMTR-NIVTXAMTSA-N 342.303 2.251 0 1 EEAF biogenic,in-vitro CCNC(=O)Nc1cccc(S(=O)(=O)Oc2ccc(O)cc2)c1 95553151 JBEKFUAYPUNZCU-UHFFFAOYSA-N 336.369 2.301 0 1 EEAF O=C(NC1CC1)[C@H]1CCO[C@H]2CCN(CCc3ccccc3)C[C@H]21 299843809 YNLWNKGLLJQYJD-FHWLQOOXSA-N 328.456 2.235 0 1 EEAF CC(=O)Nc1cccc(Cc2nc3c(S)nc(S)nc3[nH]2)c1 587242810 SRHBWBJSFZWSHU-UHFFFAOYSA-N 331.426 2.480 0 1 EEAF COC(=O)c1cc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2cn1 587784754 CTCAUPGHHYLNDQ-UHFFFAOYSA-N 329.312 2.134 0 1 EEAF Cc1cc2c(cc1O)[C@@H](c1ncc(C(F)(F)F)[nH]1)N[C@H](C(=O)O)C2 963526652 OQGFFMRMMYVDAP-CABZTGNLSA-N 341.289 2.131 0 1 EEAF COc1cc(C=CCO)ccc1C[C@H](CO)[C@H](O)c1ccc(O)cc1 2356355780 HCMFTRPSMOLYLT-YLJYHZDGSA-N 344.407 2.291 0 1 EEAF C[C@H]1CN(c2ccc(C(=O)Nc3ccccc3N)cn2)[C@H](C)CN1 28824480 ANPNLYORXLWUEY-QWHCGFSZSA-N 325.416 2.103 0 1 EEAF O=C(NC[C@@H]1Cn2c(-c3ccccc3)cnc2CO1)c1cccnc1 2356302258 PXSKPPVPSWMMJK-MRXNPFEDSA-N 334.379 2.274 0 1 EEAF COc1ccc(C=CC(=O)NCCc2ccc(OC)c(O)c2)cc1O 2356606733 CEGVYXLCWUJTEF-UHFFFAOYSA-N 343.379 2.487 0 1 EEAF CC[C@@H](C)[C@H](CO)NC(=O)C1(c2ccc(OC)cc2)CCOCC1 2356656905 OCGQEDVIBDAVFB-PBHICJAKSA-N 335.444 2.267 0 1 EEAF CC(C)COC(=O)Cc1cc(O)cc2c1C(=O)C[C@H](C[C@@H](C)O)O2 2356746485 ZICDDWYXFDANHW-RISCZKNCSA-N 336.384 2.239 0 1 EEAF COC(=O)c1cc(OC)cc(O)c1C(=O)c1c(O)cc(C)cc1OC 2356803764 XJWDUCZIIDUZSH-UHFFFAOYSA-N 346.335 2.441 0 1 EEAF C[C@H](NC(=O)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1)c1ccccc1 73157139 MRWXXCJABKSUFB-JCGIZDLHSA-N 336.439 2.228 0 1 EEAF COc1ccc(-c2ccc3c(c2)c(=O)c(C(=O)O)cn3CCO)cc1 84710576 ZLPCZAGTYOYPTI-UHFFFAOYSA-N 339.347 2.368 0 1 EEAF Cc1nsc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)n1 145053652 YQMYGDZDKVKCMB-UHFFFAOYSA-N 331.405 2.390 0 1 EEAF C[C@@]1([C@H](O)CO)C=C2CC[C@H]3[C@@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]2CC1 238780920 MXHRQWXLVXRIMG-SXJNSPEGSA-N 338.488 2.252 0 1 EEAF CNC(=O)c1cccc(C[C@H]2COCCN(Cc3ccc(C)o3)C2)n1 299850407 CZJLVZIKSUISRH-OAHLLOKOSA-N 343.427 2.034 0 1 EEAF Cc1cccc(CN2C[C@H]3COC[C@@]3(CNC(=O)C3CCC3)C2)c1 299842591 UJXMCEFYARVIHW-AZUAARDMSA-N 328.456 2.360 0 1 EEAF CCn1cc(Br)c(Cc2nc3ccc(C(=N)N)cc3[nH]2)n1 586999646 DRLZWEAKRNVLKX-UHFFFAOYSA-N 347.220 2.417 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)NCC2(C)C 587799429 XBTNASFTLRQWIM-VXJOIVPMSA-N 341.224 2.474 0 1 EEAF COC(=O)C[C@]1(c2ccncc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436359 OIJZVQKKWWOVAM-AUUYWEPGSA-N 339.347 2.296 0 1 EEAF CN1CCc2cnn(C)c2[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]12 963954801 LTJTWISIKTUQQR-YZVOILCLSA-N 346.475 2.380 0 1 EEAF CCN(C(=O)[C@@H]1CCCO1)c1nc2c(s1)CCc1c-2cnn1C 12146169 FUFLIWPLLKZJOT-LBPRGKRZSA-N 332.429 2.174 0 1 EEAF CCC[C@@H]1CC2=C(OCC=N2)[C@]2(NC(=O)CC(=O)O)C=CCC[C@H]12 169692895 BSBXGNLUQCQTGK-VFVRVIDISA-N 332.400 2.415 0 1 EEAF O=c1[nH]nc(Cc2ccc(CN3CCOCC3)cc2)c2c1CCCC2 167710139 MFZPZDIGVGNHDT-UHFFFAOYSA-N 339.439 2.072 0 1 EEAF COc1cc(C(=O)c2cc3c(cc2N)OCO3)cc(OC)c1OC 26571001 OCTDJRXQBHUAMS-UHFFFAOYSA-N 331.324 2.254 0 1 EEAF CC(C)NC[C@H](O)COc1ccc(CCOCCOC(C)C)cc1 6883970 LFIWBZTZJGEEDM-SFHVURJKSA-N 339.476 2.408 0 1 EEAF CCn1c(=O)c2cnc3c(OC)cccc3c2n(CCCF)c1=O 117790535 WIXFQAYAKRUUGT-UHFFFAOYSA-N 331.347 2.100 0 1 EEAF O[C@@H](CCc1ccc(I)cc1)Cn1ccnc1 28648046 XAICPDJBSSNBIF-ZDUSSCGKSA-N 342.180 2.481 0 1 EEAF COC(=O)C(C)(C)CNC(=O)C=CC=Cc1ccc2c(c1)OCO2 2356775119 IKSLTVIKSXYLON-UHFFFAOYSA-N 331.368 2.300 0 1 EEAF C[C@H](c1ccncn1)N(C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 67872878 DZQIBFJHECAUDS-LLVKDONJSA-N 338.367 2.240 0 1 EEAF C[C@H](CO)[C@H]1CC[C@]2(C)C[C@H]3[C@@H]([C@H](O)C[C@H]3CO)[C@@](C)(O)CC=C12 71296338 ZRHLUTXOIYNCOW-PNJPHUGJSA-N 338.488 2.108 0 1 EEAF CCCC[C@@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1 147344134 NUIXEUAEKRDSJR-CYBMUJFWSA-N 346.406 2.377 0 1 EEAF CCN1C(=O)CC[C@H]1C(=O)NCc1ccc(F)c(C(F)(F)F)c1 95565595 IUPAVNFXFWHFEV-LBPRGKRZSA-N 332.297 2.472 0 1 EEAF CCCOc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 253669450 FSCQVYBJKCUYMM-MBNVHVTPSA-N 327.424 2.281 0 1 EEAF COC(=O)c1ccnc2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc12 587155246 IXFLNMLMNNCGHD-GTNSWQLSSA-N 326.331 2.225 0 1 EEAF NS(=O)(=O)c1cccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587086130 SZTWNKVARGYBGK-UHFFFAOYSA-N 348.815 2.339 0 1 EEAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(CO)ccc3F)[nH]c2c1 587140842 SGUHZZACSIRQOD-UHFFFAOYSA-N 349.387 2.112 0 1 EEAF COc1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2cc1OC 587256662 LRKZMZCTOFMPPN-SNVBAGLBSA-N 335.404 2.182 0 1 EEAF O=C1COc2cc(F)ccc2N1Cc1cn(Cc2ccccc2)nn1 1772632085 MILKLKBYIGNYSP-UHFFFAOYSA-N 338.342 2.391 0 1 EEAF COc1ccc([C@H]2COc3cc(O)cc(O)c3C2=O)c(OC)c1O 14645822 WGOWHNMEQADXHD-SNVBAGLBSA-N 332.308 2.180 0 1 EEAF biogenic,in-vitro CC(C)(C)[C@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(=O)O 207371595 YJQDXYVTPLFIRH-CQSZACIVSA-N 347.415 2.372 0 1 EEAF CC=C[C@@H]1Oc2ccc(OC)cc2N2C(=O)[C@H](C)[C@H](OCOC)[C@H]12 1857623272 BSKPAPARTCMSGM-HSHDSVGOSA-N 333.384 2.373 0 1 EEAF CCN(CC)CC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 103168258 UREGGCQEISUYSA-UHFFFAOYSA-N 334.445 2.418 0 1 EEAF CCN1CCN([C@@H](CNC(=O)c2cccs2)c2cccnc2)CC1 20485557 VLLDJGASWBZTGX-INIZCTEOSA-N 344.484 2.252 0 1 EEAF CC(=O)NC1=NCC[C@H](c2cn(C)c3cc(Br)ccc23)N1 45259621 HJSIWEQKDWGFJE-CYBMUJFWSA-N 349.232 2.467 0 1 EEAF CCCCOCCOC(=O)[C@@H](C)NC(=O)c1csc(CC)n1 82070870 UVSRXSVDTNMBAE-LLVKDONJSA-N 328.434 2.184 0 1 EEAF Cc1cc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)ccc1F 653912787 BULYYEOERKZRTH-AWEZNQCLSA-N 337.420 2.432 0 1 EEAF Nc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1N 587008673 NEKVYQMHNNXVRL-UHFFFAOYSA-N 344.176 2.200 0 1 EEAF CC(C)(C)C(=O)Nc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cn1 587244842 LWAWBVWNIPTIEL-UHFFFAOYSA-N 344.400 2.394 0 1 EEAF CCOC(=O)CCOCCCOCCc1nc2cccc(O)c2[nH]1 587570286 VCAVUDYVZXLVEM-UHFFFAOYSA-N 336.388 2.188 0 1 EEAF Nc1nc(O)c2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 587077651 WDKWXUHTHGKCIM-LLVKDONJSA-N 344.806 2.631 0 1 EEAF c1cc(NC2=NCCN2)cc(Oc2ccc(NC3=NCCN3)cc2)c1 169330673 ZJKZACKTQLZPNA-UHFFFAOYSA-N 336.399 2.221 0 1 EEAF O=[S@](CCCNC[C@@H](O)COc1ccccc1)C1CCCCC1 169331479 WDOFYVKUULNTKO-WAIKUNEKSA-N 339.501 2.487 0 1 EEAF Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2noc3ccccc23)c1 206030463 DHKWXJGWDVKFQK-GFCCVEGCSA-N 332.385 2.087 0 3 EEAF COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1OC 3814951 XQDLUHGBAGRVFK-UHFFFAOYSA-N 340.387 2.127 0 1 EEAF Cc1cc(CO)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2n1 113420730 ARNADARLCXYKLA-UHFFFAOYSA-N 348.410 2.111 0 1 EEAF CC(=O)OCC1=C2CCC=CC[C@@H](OC(C)=O)C(C)=C[C@H]2OC1=O 2356529273 ZTLGDKVCFHURRE-IAGOWNOFSA-N 334.368 2.390 0 1 EEAF CC(C)N1CCC(Oc2ccc(C3(C(N)=O)CCOCC3)cc2)CC1 34659280 HMPMHACJMYGXPE-UHFFFAOYSA-N 346.471 2.472 0 1 EEAF C[C@H]1CCC[C@H](O)CCC[C@H](O)Cc2cc(O)cc(O)c2C(=O)O1 139432454 RUKNLXKLHDXQSW-UBHSHLNASA-N 338.400 2.262 0 1 EEAF CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@H](C)CN2 82212400 LYSZHKSBOYSXIS-GFCCVEGCSA-N 348.447 2.315 0 1 EEAF CC1(C)c2[nH]c3ccccc3c2C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@H]13 40836496 LGFJHIIKFPHMPU-NQERJWCQSA-N 349.434 2.251 0 1 EEAF Cc1cccc(NC(=O)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 473090594 WPPBGJSBPQNUKG-UHFFFAOYSA-N 346.314 2.175 0 1 EEAF Nc1ncnc2[nH]c(-c3ccnc(Br)c3Cl)nc12 587007261 PCSOKIBVNMOZHG-UHFFFAOYSA-N 325.557 2.413 0 1 EEAF O=c1oc2cc(F)ccc2cc1-c1ccc2c(O)nc(O)nc2n1 587368829 AFKIWJBYZCUBCE-UHFFFAOYSA-N 325.255 2.349 0 1 EEAF Cn1nc(C(F)(F)F)cc1-c1nc2nc(Br)c[nH]c-2n1 587118969 VKKGCMJWNARVRA-UHFFFAOYSA-N 347.098 2.486 0 1 EEAF CCOC(=O)C1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587520411 AOFLIGSNUQGLDN-UHFFFAOYSA-N 346.379 2.396 0 1 EEAF Cc1cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br 587970464 HXSBFEDGRHMRPF-ILWJIGKKSA-N 339.145 2.133 0 1 EEAF COCCNC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N 103147455 BOQKAVHIOUZPHR-UHFFFAOYSA-N 336.413 2.391 0 1 EEAF CC(=CCOc1ccc2ccc(=O)oc2c1)[C@H](O)[C@H]1C[C@@H](C)C(=O)O1 2356549042 PAARGKWPJAUKIO-NJAPINKUSA-N 344.363 2.431 0 1 EEAF C[C@H](CO)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4CO)[C@]3(C)CC[C@]2(C)C=C1 2356649169 BVZWEPLMRFYTFZ-WKCJJHKESA-N 332.440 2.314 0 1 EEAF CCNC(=O)Nc1nc2cc(-c3cncnc3)cc(-n3cccn3)c2[nH]1 45498339 FZCBZBWWMSICME-UHFFFAOYSA-N 348.370 2.347 0 1 EEAF CCc1cc(NC[C@@H](O)CO)nc(-c2ccc(Cl)c(F)c2)n1 84672450 VIKIQGQUUZHXQG-LLVKDONJSA-N 325.771 2.264 0 1 EEAF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1nc[nH]n1 49112864 JLQNQGPJLJQVEH-UCUFBTAOSA-N 342.358 2.201 0 1 EEAF C[C@H](CCCCCC/C=C/C(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O 263614569 NEVPBIQTDNVVMK-VOZKMFQVSA-N 330.421 2.230 0 1 EEAF in-vitro O=C(O)Cn1c(=O)c(-c2ccc(O)cc2O)nc2cc(Cl)ccc21 299871733 ZCSRKPJQPOJUQO-UHFFFAOYSA-N 346.726 2.213 0 1 EEAF C[C@H]1COc2c(CNC3CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 473245154 WFDZWMZRAOFJDE-QMMMGPOBSA-N 332.331 2.044 0 1 EEAF COC(=O)c1ccnc2[nH]c(-c3c(OC)ccc(OC)c3OC)nc12 587926696 LFHYDYPWDRRSPN-UHFFFAOYSA-N 343.339 2.437 0 1 EEAF O=C(NCc1nc2c(O)ncnc2[nH]1)c1cccc(C(F)(F)F)c1 587110831 DMSQEKZRUMHPBH-UHFFFAOYSA-N 337.261 2.007 0 1 EEAF COc1ccccc1-c1noc(-c2csc(S(N)(=O)=O)c2)n1 74118043 LFMWAEICMWTFDY-UHFFFAOYSA-N 337.382 2.121 0 1 EEAF CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(C(C)=O)n2c1 24225 NSCIKRYOXRIQKY-XNTDXEJSSA-N 334.379 2.297 0 1 EEAF Cc1nc2c(C(=O)NCc3ccc(F)cc3)c[nH]n2c(=O)c1Cl 104200956 HBAJPGWKJHIQHA-UHFFFAOYSA-N 334.738 2.054 0 3 EEAF Nc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1N1CCSC1 29412004 LTQPXPOUSCRBDT-UHFFFAOYSA-N 331.397 2.128 0 1 EEAF C[C@]12CC[C@H](O)[C@@H]3COC(=C31)C(=O)c1cc3c(cc12)[C@H](O)CCC3=O 14723543 QBIVTXOPBMJYTJ-UXFYUNLUSA-N 340.375 2.206 0 1 EEAF biogenic Cn1c(-c2ccc3nccnc3c2)c(-c2cccc(CO)c2)c(=O)n1C 45348087 APYJZXQYXGTUPW-UHFFFAOYSA-N 346.390 2.493 0 1 EEAF COC(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cn3)nc2c1OC 587194289 BUEXAFZEBLHJEK-UHFFFAOYSA-N 326.356 2.486 0 1 EEAF Cc1c(Br)cc2nc(C[C@@H](O)CC(=O)O)[nH]c2c1C 586890873 PEWWXIDPKLCGCN-MRVPVSSYSA-N 327.178 2.320 0 1 EEAF N=c1[nH]cc2nc(-c3nc(Br)ccc3Cl)nc-2[nH]1 587005081 MDRNHVXNLBJWSA-UHFFFAOYSA-N 325.557 2.195 0 1 EEAF O=C(O)CCc1cc2c(O)nc(O)nc2nc1-c1cc(F)cc(F)c1 587369006 ZMARAOIOXUCQTK-UHFFFAOYSA-N 347.277 2.398 0 1 EEAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CC[C@@H](N)C3)[nH]c2c1 587245940 BERWOMZUCFKMPH-NWDGAFQWSA-N 336.461 2.188 0 1 EEAF COC(=O)c1cc2[nH]c(C(C)(C)SCC(=O)O)nc2cc1OC 586959846 QZURDCAAMSJHLP-UHFFFAOYSA-N 338.385 2.411 0 1 EEAF CCOC(=O)c1cnn(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)c1N 69896650 RMLGXXSWVXZDQV-ZDUSSCGKSA-N 346.431 2.162 0 1 EEAF Cc1c(C(=O)N2CCCC2)sc2ncnc(NCCN(C)C)c12 12126977 GMBFFSJUAHLAQM-UHFFFAOYSA-N 333.461 2.209 0 1 EEAF NCC(=O)Nc1cccc(S[C@H](CC(=O)O)c2cccnc2)c1 13589283 ZOVIFDVUAAMLCU-CQSZACIVSA-N 331.397 2.287 0 1 EEAF Cc1nn(C)c2nc3cc(C(=O)O)ccc3c(NCCCN(C)C)c12 169329047 MFJQPRHPKMNHDW-UHFFFAOYSA-N 341.415 2.492 0 1 EEAF CN1[C@H](c2ccc(F)cn2)c2ccc3cccnc3c2NS1(=O)=O 205634333 WKXUSHRNSZMXLM-INIZCTEOSA-N 344.371 2.460 0 1 EEAF C[C@H](Oc1ccc(CCNC[C@@H](O)c2ccccc2)cc1)C(=O)O 29058137 HLUSMAFXENNUTF-KBXCAEBGSA-N 329.396 2.404 0 1 EEAF COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)C2=O 139283433 HIGBPIRRWMYOGC-ZWKOTPCHSA-N 346.335 2.095 0 1 EEAF Cc1nn2c(C(N)=O)nnc2cc1Cc1c(Cl)cccc1Cl 141433993 LLGCXLUTXRRRKX-UHFFFAOYSA-N 336.182 2.429 0 1 EEAF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)[C@@H](O)C(=O)[C@H]12 238742613 DXKOYDRYFOHLGA-SYXWMXQXSA-N 336.472 2.292 0 1 EEAF COC(=O)c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2n1 587124389 NUVRFHOAAFBZHW-UHFFFAOYSA-N 334.282 2.450 0 1 EEAF NS(=O)(=O)c1c[nH]c(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)c1 586930393 ROZHKDSCTFIVRV-UHFFFAOYSA-N 332.719 2.137 0 1 EEAF COc1cccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 586959062 NWTMUCAPXYMSHH-INIZCTEOSA-N 347.396 2.040 0 1 EEAF CCN(C(=O)Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1C 587370485 XGRSCRBQUWLEGG-UHFFFAOYSA-N 338.367 2.340 0 1 EEAF COc1cccnc1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230967 RFVHRYWGSYILKC-DOTOQJQBSA-N 335.363 2.327 0 1 EEAF CCOC(=O)c1c(-n2cnnn2)sc(C(=O)c2ccccc2)c1C 198955819 NMZQZBLSPUNHQF-UHFFFAOYSA-N 342.380 2.440 0 1 EEAF O=C1N=Nc2nc(CN3CCC4(CC3)OCCO4)nc3cccc1c23 169710141 FRHMWCARWJWGCF-UHFFFAOYSA-N 339.355 2.206 0 1 EEAF Cc1cnc(OCc2cn(C3CCN(CC4CC4)CC3)nn2)nc1 1857612463 MWRKBDSOXOMFCL-UHFFFAOYSA-N 328.420 2.002 0 1 EEAF COc1cc(O)c(C(N)=O)c2oc(C(=O)N3CCCCC3)c(C)c12 1857768231 WNHCGIAJTSRSLU-UHFFFAOYSA-N 332.356 2.180 0 1 EEAF CC=C1CN2CC[C@]34C(=O)c5ccccc5N3[C@@H](C(=O)OC)[C@H]1C[C@@H]24 2356393677 PPYARVBMTFPVQA-MCNSXXNHSA-N 338.407 2.024 0 1 EEAF CCCCN(CC)C(=O)Cn1nc(CC)n2c(cc3occc32)c1=O 6807332 HTJOBFJJMOYNFH-UHFFFAOYSA-N 344.415 2.453 0 1 EEAF C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C[C@@H](C)N1 103284849 NCKOHVXJFRVSMV-VXGBXAGGSA-N 341.411 2.221 0 1 EEAF O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccccc3)ccc2O1 103262758 JTEXTXISPSGJGM-UHFFFAOYSA-N 326.337 2.022 0 1 EEAF CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(C[C@@H]3C[C@H]4CC[C@@H]3C4)nc21 28881963 CLZRCWCUPGPJDU-XQQFMLRXSA-N 330.432 2.058 0 1 EEAF CN(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1 115624143 OGAQLLSDWARITR-UHFFFAOYSA-N 336.399 2.031 0 1 EEAF CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCOCC1 28129776 AFEKMHLSVOVPBJ-UHFFFAOYSA-N 349.818 2.189 0 1 EEAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCc1cccs1 82203453 PVQVWEADJNUQCP-UHFFFAOYSA-N 331.445 2.160 0 1 EEAF C[C@@H](C(=O)NCc1ccccc1C(F)(F)F)N1C(=O)C[C@@H](C)C1=O 299868611 RXAAVLGVCKRRBR-ZJUUUORDSA-N 342.317 2.105 0 1 EEAF CC(=O)Nc1cncc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587652035 JREOVMRTHUDPFY-UHFFFAOYSA-N 342.742 2.092 0 1 EEAF COc1cc2c3c(c1)O[C@](Cc1ccc(O)cc1)(C(=O)O)[C@@H](C2)C3=O 587448491 CRRPLAWWSWUCBF-LIRRHRJNSA-N 340.331 2.214 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)nc(O)nc1S)[C@@H](C2)C3=O 587454427 YORCKURAIOBQHC-DYZYQPBXSA-N 344.392 2.451 0 1 EEAF COc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cn1 587008156 ILJWFICPYABYCU-UHFFFAOYSA-N 345.160 2.439 0 1 EEAF CC1=C(c2ccc3nc(-c4csc(O)n4)[nH]c3c2)NNC(=O)C1 587018497 DREHZDLKCGMHAZ-UHFFFAOYSA-N 327.369 2.148 0 1 EEAF O[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccccc1Cl 587059984 XCGQOBAPBCTRFM-CQSZACIVSA-N 326.747 2.274 0 1 EEAF CC(C)c1nn(C)c2c1[C@](C)(c1ccccc1S(C)(=O)=O)NCC2 962915266 UYPBHUISYIRNDV-SFHVURJKSA-N 347.484 2.356 0 1 EEAF COc1ccc2c(c1OC)[C@@](C)(CN1CCN(C)CC1)N(C)[C@H](C)C2 962642182 YRDMYKIQFUAJSJ-FOIQADDNSA-N 347.503 2.043 0 1 EEAF C[C@H]1C[C@@H](C)CN(CCCNC(=O)Cn2cc3c(n2)CC[C@@H](C)C3)C1 5148591 NHCFTVMVXOEOLS-ZACQAIPSSA-N 346.519 2.492 0 1 EEAF Cc1nc([C@@H]2C[C@@H]2c2nnc(C)s2)cc(-n2nc(C)nc2C)n1 205278576 ZCJVIWWSDNFKPN-NEPJUHHUSA-N 327.417 2.414 0 1 EEAF CCCn1c(O)cc(=O)nc1SCC(=O)Nc1cccc(F)c1 102861672 JDPUFKCPWMVFTK-UHFFFAOYSA-N 337.376 2.229 0 3 EEAF COC(=O)[C@@H]1CC2=C(CN1Cc1cc3ccccc3o1)N(C)[CH]N2 2356441394 PNJDKTYYKKIRKA-HNNXBMFYSA-N 326.376 2.046 0 1 EEAF C[C@]1(CO)C[C@H](O)C[C@]2(C)C3=C(CC[C@H]12)[C@@H]1OC[C@@H](O)[C@@]1(C)CC3 2356779032 JMVOKTZSCPYVLB-BHZZVGFRSA-N 336.472 2.412 0 1 EEAF Cc1cc(O)cc(Oc2cc(C)c(C(=O)O)c(OC[C@@H](O)CO)c2)c1 2356805666 VJHMNXXFZIHOLJ-ZDUSSCGKSA-N 348.351 2.232 0 1 EEAF N[C@H]1CCN2C(=O)c3cc(C=Cc4ccccc4)ccc3NC(=O)[C@@H]12 2356845321 ODNCENVLRHYENE-FUHWJXTLSA-N 333.391 2.351 0 1 EEAF COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2nccs2)n1 40380035 YUBORDSDHOFYPC-NSHDSACASA-N 333.417 2.174 0 1 EEAF CCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@@H](C(C)C)N2 82206165 BTVHMUMERDGRHI-HNNXBMFYSA-N 342.443 2.482 0 1 EEAF CN(CCc1ccccc1)c1n[n+](=O)c2cc3c(cc2n1O)CCC3 95573058 FNIWMTXDGLQCOM-UHFFFAOYSA-N 337.403 2.356 0 1 EEAF Cn1cc(C(=O)NC(=S)Nc2ccccc2Br)cn1 473086076 AQUKICJCXDDLKH-UHFFFAOYSA-N 339.218 2.309 0 1 EEAF CC(=O)N1CCC(C(=O)N2CCC[C@@H](Cc3ccccn3)C2)CC1 299851060 VYQMVZTWXOEOLW-INIZCTEOSA-N 329.444 2.121 0 1 EEAF COc1cc(OC)c2[nH]c(CSc3nc(O)cc(O)n3)nc2c1 586967133 VERDULJCYOJBLQ-UHFFFAOYSA-N 334.357 2.074 0 1 EEAF CS(=O)(=O)/C=C/c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586925870 JRHFGAGYDXTQQB-VOTSOKGWSA-N 328.397 2.410 0 1 EEAF O=S1(=O)N[C@H](c2c[nH]nc2-c2ccccc2)Nc2ccccc21 1857643798 PMNXHLJZSKOSHM-MRXNPFEDSA-N 326.381 2.479 0 1 EEAF COc1ccc(CCCc2c(O)cc(OCC(=O)O)cc2O)cc1O 6018535 KAEFCWDXZSOZAZ-UHFFFAOYSA-N 348.351 2.451 0 1 EEAF CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(OC)c(OC)c1 103545438 ZGHVBLHGMLHMDC-MRPLLJTBSA-N 345.359 2.192 0 1 EEAF O=C(NCc1cccnc1N1CCc2ccccc2C1)c1cc(O)n[nH]1 67490786 QGMLLIXMNUSCJQ-UHFFFAOYSA-N 349.394 2.003 0 1 EEAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1 2356597409 GSIPYUVMTWKRAX-IPMKNSEASA-N 329.488 2.469 0 1 EEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1CC=C1[C@@H](O)[C@H]3C[C@@]12CC[C@]3(O)CO 2356753244 HEZQTJICTKZYRG-ZSXPZZPQSA-N 336.472 2.006 0 1 EEAF C/C=C\[C@@H]1Oc2ccc(OC)cc2N2C(=O)[C@@H](C)[C@@H](OCOC)[C@@H]12 73096335 BSKPAPARTCMSGM-JDFKGKJYSA-N 333.384 2.373 0 1 EEAF Cc1cc(Nc2nc(CCN)cn3c(-c4cn[nH]c4)cnc23)sn1 72109645 XQFHODAQACCOEF-UHFFFAOYSA-N 340.416 2.129 0 1 EEAF CC(=O)Nc1cccc(C2=NN=C3c4ccc(C(N)=O)cc4C[C@H]23)c1 87612873 KCTYKLLVBVYXPP-MRXNPFEDSA-N 332.363 2.123 0 1 EEAF O=C(O)Cn1c(=O)c(/C=C/c2ccc(O)cc2)nc2ccc(F)cc21 299872054 ZUNJDRGKUNXFLT-XVNBXDOJSA-N 340.310 2.496 0 1 EEAF CN1CCN(c2nc(/C=C/c3ccc4ccccc4c3)nc(=N)[nH]2)CC1 473154578 ISAFWNVCSUGFJE-VQHVLOKHSA-N 346.438 2.360 0 1 EEAF COC(=O)[C@H]1CSCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454332 WFVXCTDRKJOBHE-PSTGCABASA-N 334.393 2.108 0 1 EEAF NCCOCCOCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587245708 DGMKEJBJCFMJLL-UHFFFAOYSA-N 335.301 2.255 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nncn2C)N1 587752461 FDFOAPGHNPMQLY-KRTXAFLBSA-N 325.185 2.340 0 1 EEAF O=C(O)CCCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587559747 NCCILZHTOGKTDZ-UHFFFAOYSA-N 341.323 2.347 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(C)c1C(C)=O)[C@@H](C2)C3=O 587432482 PHMCDANAZBTTGH-KPZWWZAWSA-N 326.352 2.294 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)C2)N1 587847800 YKIWJJPAUOHAFF-OQPBUACISA-N 348.237 2.136 0 1 EEAF CC(C)(C)OC(=O)[C@]1(C)CCc2nc3nc(O)nc(O)c3cc2C1 587555486 OSJIZDCNNBNWCJ-QGZVFWFLSA-N 331.372 2.273 0 1 EEAF Cc1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 586958868 MDVKYWLXRXBQTJ-INIZCTEOSA-N 331.397 2.340 0 1 EEAF Cc1c(C)c2c(c(C)c1O)[C@H](C(=O)N1CCN(C)CC1)C(C)(C)O2 13651884 KTLJFGMUBVBUPQ-OAHLLOKOSA-N 332.444 2.346 0 1 EEAF CNC[C@@H](O)CN1CCc2c(cccc2NCc2ccccc2)C1 1857591708 YRUYMMWXYZARMX-GOSISDBHSA-N 325.456 2.237 0 1 EEAF F[C@H]1CN(Cc2nccs2)C[C@@H]1OCc1nc2cnccc2[nH]1 2356393524 MIDFHCTTYKNPKD-GWCFXTLKSA-N 333.392 2.154 0 1 EEAF CC(C)NC(=O)c1cc(C(=O)c2cc(Cl)ccc2O)coc1=N 4165067 BZGYAJFRYCPRFL-UHFFFAOYSA-N 334.759 2.487 0 3 EEAF O[C@H]1C2=NCCc3cc4c(c(c32)Oc2c1ccc1c2OCO1)OCO4 2356653019 YGQFZFBODRQEDM-CQSZACIVSA-N 339.303 2.329 0 1 EEAF COc1cc2c(cc1OC)[C@]13C[C@H](OC)C(=O)C=C1CCN3CC2 15204028 GFSAAWPDCQHEAN-OALUTQOASA-N 329.396 2.075 0 1 EEAF biogenic Cn1cc(-c2ccncc2-c2cnc3c(c2)CCCN3C(N)=O)cn1 221451491 PJBGMDNOWZMFSX-UHFFFAOYSA-N 334.383 2.375 0 1 EEAF COC/C=C/c1ccc2c(c1)[C@]1(COC(N)=N1)C1(COC1)C(C)(C)O2 220720653 INLZNNXNRQPRBS-VZSQWMKGSA-N 344.411 2.074 0 1 EEAF CCOC(=O)C[C@@H]1SC2=NCCN2[C@@]1(O)c1ccc(Cl)cc1 142119157 UATOCMSSFNXZCI-SWLSCSKDSA-N 340.832 2.225 0 1 EEAF O=C(OCCO)c1c(-c2ccccc2)oc2c1[C@@H](OCCO)CCC2 96020763 YFDLUJRBQMENCQ-AWEZNQCLSA-N 346.379 2.482 0 3 EEAF O=c1cc(N2CCOCC2)nc2c(CNc3ccccc3)cccn12 473133422 ZYDMPRZESNHZRP-UHFFFAOYSA-N 336.395 2.143 0 1 EEAF Cc1cncc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 587171430 ZXZNMWSXPOXRTD-UHFFFAOYSA-N 334.376 2.226 0 1 EEAF COc1ccc(CNC(=O)[C@@H]2Cn3c(cc4ccccc43)C(=O)N2)cc1 1772575788 YRBSIBXWVPCTIC-INIZCTEOSA-N 349.390 2.078 0 1 EEAF CCOC(=O)C1=C(N)Oc2cc(N(C)C)ccc2[C@@H]1c1cccnc1 103253054 PJWPCWYMLMXIPY-INIZCTEOSA-N 339.395 2.405 0 1 EEAF O=C1CN(CCc2ccccc2)C(=O)[C@@H](Cc2c[nH]c3ccccc23)N1 487868 YAEXYOZZWFVPMH-LJQANCHMSA-N 347.418 2.280 0 1 EEAF biogenic CC(C)[C@H](N)C(=O)N1CCC(c2nc(-c3cccs3)no2)CC1 71297061 XUGKZTMKTMWUPY-ZDUSSCGKSA-N 334.445 2.487 0 1 EEAF in-vitro OCCN1CCN(C2=Nc3ccccc3Nc3cscc32)CC1 39241375 DIUWEUYKNKHBOT-UHFFFAOYSA-N 328.441 2.493 0 1 EEAF COCCNC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1F 82152834 XGCDEGXJZOKNGK-UHFFFAOYSA-N 344.390 2.481 0 1 EEAF O=C(Nc1ccc2c(c1)S(=O)(=O)N=C2O)Nc1ccccc1F 84632469 FSLZTVBCBLMVDL-UHFFFAOYSA-N 335.316 2.477 0 1 EEAF O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1ccc2c(c1)CCO2 473129081 FUKSTJGNMZSIML-UHFFFAOYSA-N 336.395 2.152 0 1 EEAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(C(N)=O)cc3[nH]1)C2 587247223 MNAHKRMHXLXCQJ-IBGZPJMESA-N 336.395 2.013 0 1 EEAF COC(=O)c1ccc2nc(-c3c(N)cccc3C(=O)O)[nH]c2c1OC 587248371 OGKQVNFZQNJBKT-UHFFFAOYSA-N 341.323 2.306 0 1 EEAF CCCCNc1nc(N)nc2c1CCN(C(=O)c1ccccc1)C2 205565425 QXUSKBFUIAGAFK-UHFFFAOYSA-N 325.416 2.469 0 1 EEAF COc1ccc(Cc2c(N)nc(-c3ccccn3)nc2N)c(OC)c1 116189997 JTBCCBSNVADOTC-UHFFFAOYSA-N 337.383 2.311 0 1 EEAF CN1C(=O)C([C@H]2C[C@@H](c3ccc(Cl)cc3)N=N2)C(=O)N(C)C1=O 169691261 DXIGRVIOBUZFPV-WDEREUQCSA-N 334.763 2.272 0 1 EEAF C/C=C/CC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 169721735 XNLSLPYZLRLIDV-NSCUHMNNSA-N 348.424 2.194 0 1 EEAF CO[C@@H]1C(=O)CC[C@@H]2C[C@@H]3c4cc5c(cc4CCN3C[C@H]12)OCO5 2356337820 DJSHXEFAWZEGPN-CEMCJKAASA-N 329.396 2.329 0 1 EEAF CC[C@@]12CCCN3C(=O)C[C@@]4(O)c5ccccc5N(C(=O)CC1)[C@@]324 103128679 LZUIMMLDZPLMRH-QRVBRYPASA-N 326.396 2.133 0 1 EEAF CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCN(C)CC2)C[C@@H]1C(C)C 2356311765 FPPXUZHYZIMPRY-GBESFXJTSA-N 349.519 2.141 0 1 EEAF CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCC(=O)O)[C@@H](O)C[C@H]1O 2356313874 IDKLJIUIJUVJNR-QUSNUVHPSA-N 326.433 2.263 0 1 EEAF COc1ccc(C(=O)O[C@H]2C[C@H]3C[C@@H](OC(C)=O)[C@@H](C2)N3C)cc1 28525239 XAFSVSVXERZSBU-QMCVQRASSA-N 333.384 2.019 0 1 EEAF Cn1s/c(=N\C(=O)c2ccccc2)n(Cc2ccccc2)c1=O 29124401 BTSOPLFJVMELQN-VLGSPTGOSA-N 325.393 2.038 0 1 EEAF CC(C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1/C=C/C(=O)O 36383143 MAUQUFHYOPTTMZ-GQCTYLIASA-N 337.319 2.490 0 1 EEAF COC(=O)c1cc2c(cn1)CCCN1CCC3=CC[C@H](OC)C[C@]321 14440148 OHBQZXBAGISRFS-KXBFYZLASA-N 328.412 2.451 0 1 EEAF biogenic COc1c(O)cc2c(c1O)C(=O)[C@H](OC)[C@H](c1ccc(O)cc1)O2 14643880 JLVQQMHPARILRE-RDJZCZTQSA-N 332.308 2.143 0 1 EEAF biogenic Cc1ccccc1-c1cccc2[nH]c(C(=O)NC[C@@H](N)C(=O)O)cc12 43123529 GBMTZHCOBLYJLK-OAHLLOKOSA-N 337.379 2.285 0 1 EEAF C[C@@]12CCC(=O)[C@@](C)(CO)[C@H]1CC[C@]13CC[C@H](C[C@@H]21)[C@](O)(CO)C3 238771647 SYLBWUCYLWBMER-CUWQQFRDSA-N 336.472 2.294 0 1 EEAF C/C=C1/CO[C@@H](O)[C@H]2C(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C[C@@H]12 238784383 JQVUCRZIEKITEM-ICHBREAZSA-N 338.407 2.352 0 1 EEAF COCCNC(=O)c1[nH]c(C)c(C(=O)O[C@H]2C[C@H]3CC[C@H]2C3)c1C 261098804 FWRUVQJJRZNKPE-IHRRRGAJSA-N 334.416 2.353 0 1 EEAF CNC(=O)Oc1ccc(-c2cn3c(=NC(C)=O)cccc3n2C)cc1 377820930 LVCZZDYFTPYKNU-UHFFFAOYSA-N 338.367 2.110 0 1 EEAF O=C(NC1(CO)CC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21 299838784 RAMHCAPSUIGEGV-MWLCHTKSSA-N 345.349 2.065 0 1 EEAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cnccc3[nH]2)s1 587024059 MHTWTPOPCVDLOI-UHFFFAOYSA-N 332.389 2.747 0 1 EEAF CNS(=O)(=O)c1cc(-c2nc3cc(SC)ccc3[nH]2)n(C)c1 586946715 DIHPLOVLUKGVAC-UHFFFAOYSA-N 336.442 2.198 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CC(=O)N(C)C1 587872044 HRVGMXNVAPEBNO-GFCCVEGCSA-N 331.347 2.206 0 1 EEAF COc1ccc(OC)c(NCc2cccc3nc(N)nc(N)c23)c1 13740536 PEPWPBUTUYSCAU-UHFFFAOYSA-N 325.372 2.424 0 1 EEAF C=Cn1ccnc1[C@@H]([C@H](O)c1cc(OC)c(OC)c(OC)c1)N(C)C 377938 LWWOKJBXGOIIAV-HZPDHXFCSA-N 347.415 2.346 0 1 EEAF CCOC(OCC)[C@@H](CCc1ccccc1)c1c(N)nc(N)[nH]c1=O 1662802 OSFZSFIIQRYTGJ-ZDUSSCGKSA-N 346.431 2.050 0 1 EEAF C[C@@H](NC(=O)c1ccccc1)NC(=O)[C@H](C)C(=O)Nc1ccccc1 1857268 XYKCQPPBYPGXBC-UONOGXRCSA-N 339.395 2.153 0 1 EEAF CCn1c2c(c(O)nc1=O)[C@@H](c1ccc(C)cc1)C1=C(O)OCC1=N2 103663645 GEDXUGBUSIADGE-LBPRGKRZSA-N 339.351 2.295 0 1 EEAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(C)c2s1 103264850 KJXCOLXOVSHCAG-UHFFFAOYSA-N 329.385 2.198 0 1 EEAF CC[C@H]1N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 103581042 LDBVYQSHIPCQPT-UONWMUAXSA-N 328.412 2.008 0 1 EEAF biogenic,in-vitro COc1cc(C(=O)O[C@H]2CC[C@H]3CC[C@H]2N3C)cc(OC)c1OC 105517215 RCYQXSCEIUPTHM-MCIONIFRSA-N 335.400 2.494 0 1 EEAF Cc1ccnc(N2CCN(CC[C@H]3NC(=O)c4ccccc43)CC2)c1 29306184 DQPPITADMDONIT-GOSISDBHSA-N 336.439 2.387 0 1 EEAF COc1cc2c(cc1OC)[C@@H]1C[C@@]3(CCN1CC2)CN(C)C(=O)O3 29223359 OHKGHMJFMQQDDV-KSSFIOAISA-N 332.400 2.218 0 1 EEAF O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1Cc1c[nH]cn1 32590171 URCYBAJOSOZILR-KRWDZBQOSA-N 336.399 2.199 0 1 EEAF CC1(C)C(=O)[C@@H](O)C[C@]2(C)[C@@H]1CC=C1C[C@@](C)([C@H](O)CO)CC[C@@H]12 33831267 NZHPGYUQZUOTLL-WYDAQNGTSA-N 336.472 2.459 0 1 EEAF biogenic,in-vitro CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cn[nH]c4)cc3n2C1 218287089 SFESAQYALCEIEN-UHFFFAOYSA-N 337.383 2.386 0 1 EEAF CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2O)cc1 1911574698 QOKAIGJSVJXPKD-UHFFFAOYSA-N 348.380 2.142 0 1 EEAF CN1C[C@H]2CN(c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)C[C@H]21 82149844 AEWJRJUXRHJRFK-BLLLJJGKSA-N 326.421 2.250 0 1 EEAF CCOc1cc(-n2ncc(Cl)c(Cl)c2=O)nc(SC)n1 84730388 NYSUQIONYMMOTI-UHFFFAOYSA-N 333.200 2.450 0 1 EEAF C[C@@]12Nc3ccccc3[C@]1(O)CCN2Cc1ccc(/C=C\C(N)=O)cc1 377853493 GSUOTZHCHGUHCC-UVGLTOMHSA-N 349.434 2.420 0 1 EEAF Nc1cnc(-c2nc3ncc(Br)c(Cl)c3[nH]2)nc1 587252999 XDAPEMXKDUPDQJ-UHFFFAOYSA-N 325.557 2.413 0 1 EEAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cnncc2[nH]1 587258995 CFURXUSTXXUSNU-ZDUSSCGKSA-N 340.387 2.059 0 1 EEAF NC(=O)c1cccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963227081 MFIGZBRCPMCVAR-ZWKOTPCHSA-N 347.374 2.022 0 1 EEAF O=C(c1ccc(-c2ccc(F)cc2)cc1)c1cc(=O)n(O)c(O)n1 1857535400 QLEFNEGWPWUOEM-UHFFFAOYSA-N 326.283 2.223 0 1 EEAF COc1ccc(CCN[C@](C)(CO)P(=O)(OC)OC)cc1OC 1857586864 OLNRBUGCKPTHDY-HNNXBMFYSA-N 347.348 2.030 0 1 EEAF Cc1ccc(-n2[nH]cc3c(=O)n(-c4cccc(C)c4)c(=O)nc2-3)cc1 104151913 VXFHGYDEGJNFKA-UHFFFAOYSA-N 332.363 2.433 0 3 EEAF OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCCC4)ccnc32)C[C@@H]1O 26508683 YKCUGFGVEQMOFA-ARFHVFGLSA-N 346.431 2.207 0 1 EEAF CCOCc1nc(N2CCCC2)sc1C(=O)NC[C@@H]1CCCO1 21716242 OABJFGKRMZLEQY-LBPRGKRZSA-N 339.461 2.189 0 1 EEAF C[C@@H]1OC[C@H]2[C@@H]3Nc4ccccc4[C@@]34CCN(C)C[C@@H]1[C@@H]2CC4=O 2356865083 WJNDCLTZZJQWQW-IOKXVFATSA-N 326.440 2.294 0 1 EEAF O[C@H]1[C@H](N2CCOC3(CCCC3)C2)c2ccccc2C12CCNCC2 23251740 UHJTTYUWJXYHSD-MOPGFXCFSA-N 342.483 2.368 0 1 EEAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@H]1CCCCC(=O)O 71758156 XHHYJZGDOMKLEE-GQJJRBOXSA-N 328.449 2.487 0 1 EEAF in-man O=C(O)Cc1c(Br)c(O)cc(O)c1Br 13450153 DLTYARYHLVOXJD-UHFFFAOYSA-N 325.940 2.250 0 1 EEAF biogenic O=S(=O)(c1cccc2cnccc12)N1CCC[C@@]2(CCCNC2)C1 96283207 IQMKKPMZGCJXBK-GOSISDBHSA-N 345.468 2.389 0 1 EEAF CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)c3ccno3)C2)O1 96019007 OAVXCCQASAIDQA-DYVFJYSZSA-N 336.388 2.172 0 3 EEAF CC(=O)O[C@H]1C[C@@H]2C[C@H](OC(=O)/C=C/c3ccccc3)C[C@H]1N2C 95908910 QKTXQEDBXGTOFH-HZENTTGOSA-N 329.396 2.410 0 1 EEAF biogenic,in-vitro O=C([C@H]1CC[C@H]2[C@@H](CCN2Cc2cccs2)O1)N1CCCCO1 299843710 WWVZLYGABGXBTO-ARFHVFGLSA-N 336.457 2.424 0 1 EEAF COc1ccccc1[C@@H]1CC(C)=NN1C(=O)CN1CCC(OC)CC1 653719921 QUYGKIBRMKMIJJ-KRWDZBQOSA-N 345.443 2.455 0 1 EEAF N=c1[nH]cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)nc-2[nH]1 587081620 DHJASKVKJVDMFI-UHFFFAOYSA-N 341.762 2.270 0 1 EEAF NC(=O)Nc1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 587241859 JQFSUNPPHYSGEH-UHFFFAOYSA-N 333.149 2.225 0 1 EEAF COC(=O)C[C@]1(C(OC)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587525911 WIOYPYXUANXRIH-IBGZPJMESA-N 348.395 2.451 0 1 EEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCNC[C@@H]2F 587573274 YSONXEWCTUJQAP-MPGHIAIKSA-N 329.327 2.424 0 1 EEAF Nc1nc([C@@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587536580 WTYVQIOBCFTFSN-QGZVFWFLSA-N 344.392 2.549 0 1 EEAF Nc1ccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cn1 587253505 BGOUXHRCDNVFIA-UHFFFAOYSA-N 328.685 2.545 0 1 EEAF NC(=O)c1ccccc1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963239142 ZXMCKSSKXJDARI-ZWKOTPCHSA-N 347.374 2.022 0 1 EEAF Cc1c(O)ccc2c1[C@@]1(CCOc3cc(F)ccc31)N[C@H](C(=O)O)C2 963507591 IMCSVANYJHYQEL-LIRRHRJNSA-N 343.354 2.465 0 1 EEAF Cc1c(-c2cccc(F)c2)sc2c1c(=O)n(CCCO)c(=O)n2C 1772578711 HNCRLPKOYQXCAK-UHFFFAOYSA-N 348.399 2.259 0 1 EEAF CC1CCN(C(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)CC1 14094812 HDAGKIKJPZASOW-MYMYQCDVSA-N 335.444 2.119 0 1 EEAF Cc1cccc2[nH]c(CN(C)C(=O)[C@@H]3CCC(=O)N(C4CC4)C3)nc12 15936605 FUBHBHPARBGOST-CYBMUJFWSA-N 340.427 2.231 0 3 EEAF Cc1ccccc1SC[C@H]([C@H](C)O)n1cnc2c(N)ncnc21 1857645516 NRRJPKKZCDTERX-NWDGAFQWSA-N 329.429 2.431 0 1 EEAF N#Cc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2)cc1 13195741 NVTLLURFGQHFPX-OAHLLOKOSA-N 330.365 2.053 0 1 EEAF CCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)n2CCO)cc1 3653598 NPVGOZKIEBNNLS-UHFFFAOYSA-N 331.416 2.395 0 1 EEAF CC1=C(C(=O)N2CCC3(CC2)OCCO3)C2(CCC(C)CC2)OC1=O 4437428 BOPKXSOLEFLUEU-UHFFFAOYSA-N 349.427 2.174 0 3 EEAF Cc1ccc2c(c1)=C(c1ccncc1)NN=C(c1ccc(F)cc1)N=2 100606801 MVBHQXCTAMRMJQ-UHFFFAOYSA-N 330.366 2.270 0 3 EEAF CC1=C2C(=C[C@]3(O)C(=O)CC[C@H](C)[C@]3(C)[C@@H]2OC(=O)C(C)C)OC1=O 2356390925 GUIUSCZLHIXZMW-UAUIPOHESA-N 348.395 2.061 0 1 EEAF COC(=O)[C@H](NC(=O)CCCCc1ccc2c(c1)OCO2)C(C)C 64251680 RYZHOFMBEIPGJS-QGZVFWFLSA-N 335.400 2.442 0 1 EEAF COc1cc(C=CC(=O)N(C)C[C@@H](O)c2ccc(O)cc2)ccc1O 2356797837 OMVMCDNNZUWLJK-QGZVFWFLSA-N 343.379 2.312 0 1 EEAF COc1ccc(C[C@@H]2COc3c(OC)c(O)cc(O)c3C2=O)cc1O 13481966 WELVLEKQWRTDSH-SNVBAGLBSA-N 346.335 2.255 0 1 EEAF biogenic COCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccco1 82142991 HNDJFYSQOVNZOI-UHFFFAOYSA-N 344.415 2.349 0 1 EEAF CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CCN(Cc2ccno2)C1 95402369 XFFFZBWQTSFAJA-AWEZNQCLSA-N 332.404 2.409 0 1 EEAF COc1ccc2c(c1)c1c(n2C)[C@@H]2C[C@H]3C(=O)OC[C@H]3[C@H](C1)N2C 299827890 QBWRCKLMBISIJV-JHNDHUHGSA-N 326.396 2.277 0 1 EEAF CN(C)C(=O)c1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 587250752 YRDWGRLQQNYIOA-UHFFFAOYSA-N 338.367 2.136 0 1 EEAF COCCN1C(=O)C[C@]2(C=C1C)CC(=O)c1cc(C)cc(N)c1O2 587392926 XPZQTNDVUPDGOZ-SFHVURJKSA-N 330.384 2.064 0 1 EEAF CSCC(C)(C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586969127 NQWOOEDJWYKMNO-UHFFFAOYSA-N 327.475 2.454 0 1 EEAF CCOc1ccccc1-n1c(=O)[nH]c2sc(C(=O)O)c(C)c2c1=O 958054821 CQBPFWOKSJGWFE-UHFFFAOYSA-N 346.364 2.146 0 1 EEAF CN1CCc2cn(C)nc2[C@]12C[C@@H]1C[C@H]2CN1C(=O)OC(C)(C)C 963956614 ZCMYZSOKKBETPS-SUNYJGFJSA-N 332.448 2.133 0 1 EEAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(Cl)nc3N)c3cccc1c32 963031554 REJZQVKWPUUEKS-ABKXIKBNSA-N 328.803 2.460 0 1 EEAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC(=O)OC)(C(OC)OC)N1 962946810 JMKOEZRDQMXUIZ-BLVKFPJESA-N 346.427 2.470 0 1 EEAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CC(=O)NC2(CCC2)C1 963602628 ADTGAFBQSLKGJZ-BLVKFPJESA-N 330.428 2.266 0 1 EEAF CCN(C)C(=O)Oc1cccc(CCNC(=O)c2cccnc2O)c1 1857607863 PDKQOKSCDAXNSW-UHFFFAOYSA-N 343.383 2.210 0 1 EEAF O=C(Nc1ccc2c(c1)S(=O)(=O)NC2=O)c1ccc(Cl)cc1 1857613347 OOYBCPPBTLJUSQ-UHFFFAOYSA-N 336.756 2.024 0 1 EEAF COCCCc1ccc(C[C@@H]2C=C(C)[C@H](O)C[C@H]2[C@](C)(O)CO)cc1 2356354442 JOGIUBBUBJODJZ-DOIPELPJSA-N 348.483 2.495 0 1 EEAF Cc1ccc(CCNS(=O)(=O)c2ccc3c(c2)N(C)CCO3)cc1 6781557 OXBBUYMEWFMTSX-UHFFFAOYSA-N 346.452 2.345 0 3 EEAF Cc1cc(C)nc(-n2[nH]c(CSc3nnc(C)s3)cc2=O)n1 102806530 INWMOOAYCLOPJH-UHFFFAOYSA-N 334.430 2.025 0 1 EEAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(C(=O)O)cc1 104031448 IKEFRVOAQCLKOY-DKXRRRNBSA-N 328.328 2.478 0 1 EEAF C[C@H]1CC=C(Nc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 101195357 GBBDGJWBUUZRLU-VIFPVBQESA-N 341.323 2.057 0 1 EEAF O=C(NCc1ccc(F)cc1F)c1cc2cccc(O)c2n(O)c1=O 103253115 FYXNVPHVFOQGSO-UHFFFAOYSA-N 346.289 2.153 0 1 EEAF C[C@@H](NC(=O)COC(=O)c1ccc(CO)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101834381 XJGWAXYGPLSXAE-WNOSKKOXSA-N 331.412 2.277 0 1 EEAF COC1=C(C)C(=O)OC1=C1O[C@@]23CCCN4CCC[C@H](O2)[C@H]4[C@@H]3[C@H]1C 2356537935 LXAQGNNSRKLTLE-VVNNMYOVSA-N 347.411 2.311 0 1 EEAF CC1(C)C[C@H](O)C[C@]2(C)[C@@H]1C[C@H](O)[C@@]1(O)C[C@H]3C[C@@]12CC[C@]3(C)O 2356698388 UICCWCWMTBQVAX-DQXVGSQRSA-N 338.488 2.227 0 1 EEAF C/C=C1\CN2[C@H]3C[C@]45C(=O)[C@H]3[C@H]1C[C@H]2[C@H]4N(C)c1c(OC)cccc15 238732068 WCCNKCFWOIBUOQ-BIIKCANKSA-N 336.435 2.373 0 1 EEAF O[C@H]1C[C@@H](O)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]12 253685811 MORPIEPGKNRPKN-RSJGLCBASA-N 334.412 2.142 0 1 EEAF C=CS(=O)(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 618020192 GEESXNFGVHNSTM-UHFFFAOYSA-N 334.363 2.296 0 1 EEAF CCO[C@@H](C)/C=C/C=C/[C@@H](O)CC/C=C/C(=O)NCC(C)(C)O 653690514 OZMRSUOXUTZPNR-DWNBWPGZSA-N 325.449 2.108 0 1 EEAF CCCCS(=O)(=O)N[C@@H](c1nc2c(Cl)ncnc2[nH]1)C(C)C 586932868 KINFLGIISHUHJM-SECBINFHSA-N 345.856 2.423 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(c1cccnc1C(=O)O)[C@@H](C2)C3=O 587436405 PZPLICHTIBFLQF-KPZWWZAWSA-N 325.320 2.451 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)-c1cnc(-c2cccnc2)nc1CC3 587555513 PCVVZKMRDUKLAJ-UHFFFAOYSA-N 344.334 2.054 0 1 EEAF Nc1cc(C(=O)O)ccc1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587250677 WEMZBDALTLKNDY-UHFFFAOYSA-N 336.351 2.319 0 1 EEAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(OC)cc3[nH]2)cc1 586946334 KIKHXYOZIKAWIN-UHFFFAOYSA-N 345.424 2.265 0 1 EEAF CN1C(=O)C[C@@H]2CNC3(CCN(CC4CC4)CC3)c3cccc1c32 963017693 CHRZBKHKPMWVDN-OAHLLOKOSA-N 325.456 2.441 0 1 EEAF 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EEAF COc1c(OC)c([S@@](C)=S)c2c(c1N(C)C)CCSC2=O 2356796651 NJSGCZBHXXOUIC-OAQYLSRUSA-N 345.511 2.268 0 1 EEAF O=C(CN1CCCCC1)Nc1cccnc1C(=O)Nc1nccs1 28128459 AVEGOPZAXQMNHH-UHFFFAOYSA-N 345.428 2.215 0 1 EEAF NC1=N[C@]2(CO1)c1cc(Br)c(F)cc1OCC21CC1 149298143 UFQBEFKDLIPXMN-CYBMUJFWSA-N 327.153 2.301 0 1 EEAF C[C@@H]1COc2c(CN3CCCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 473243890 DYQANALNUGPYKL-SNVBAGLBSA-N 346.358 2.388 0 1 EEAF Nc1ncnc2c1c(-c1cc(C3CC3)on1)nn2C1CCOCC1 653775525 LPGYFCNQHVYZGX-UHFFFAOYSA-N 326.360 2.292 0 1 EEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586962055 NYQARXKDNCUMBT-QTTZVWFDSA-N 345.388 2.218 0 1 EEAF NS(=O)(=O)c1cccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 587173284 BCAVAQQCHXXHLK-GFCCVEGCSA-N 333.344 2.026 0 1 EEAF O=C1CSC[C@H](c2nc3cc(Br)c(F)cc3[nH]2)N1 587044561 YTMUJDDTOBTFBO-SECBINFHSA-N 330.182 2.369 0 1 EEAF CCOC(=O)C[C@@H](C[C@]1(C)NCCc2c(C)ccnc21)C(=O)OCC 963073506 QKUYIRQQVRAYHF-LIRRHRJNSA-N 348.443 2.274 0 1 EEAF COc1cc(O)ccc1[C@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963489984 JSLSKLJCNBDBJV-WMLDXEAASA-N 329.352 2.103 0 1 EEAF Cc1cccc(N)c1[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963521378 BRRIDTFKMCJTSP-IFXJQAMLSA-N 326.396 2.454 0 1 EEAF COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c(OC)c1 3814950 BLXKKGXDOHABAI-UHFFFAOYSA-N 340.387 2.127 0 1 EEAF C[C@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)F 10450398 UKTHMORJKFEXQR-SSDOTTSWSA-N 345.726 2.465 0 1 EEAF C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)CCN1 103280590 KXEWZCBVOPPGIB-GFCCVEGCSA-N 341.411 2.223 0 1 EEAF O=C(O)c1c(O)cc2c(c1O)[C@@H](O)O[C@H](CCCCCCCO)C2 2356719418 XYOMNNRURKEWJB-DIFFPNOSSA-N 340.372 2.061 0 1 EEAF COC(=Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 2356779225 OSFOPIPOGIRMHL-MRXNPFEDSA-N 341.363 2.192 0 1 EEAF CN(C)CCCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O 45496136 YZYPLNUVOXFRDU-UHFFFAOYSA-N 337.379 2.335 0 1 EEAF O=C(c1ccc[nH]1)N1CCO[C@H]2C[C@H](COCc3ccccn3)C[C@@H]21 96082933 AEHRYVXKBKAIOF-JLSDUUJJSA-N 341.411 2.246 0 1 EEAF C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccc(O)cc34)C(=O)C[C@@H]1[C@H]2CO 238768832 MOAWWDRCFPJTIT-MQSGCUOJSA-N 340.423 2.487 0 1 EEAF Nc1ncc(-c2cc(N3CCC3)nc(N3CCC3)n2)cc1OC(F)F 653760502 FIXNKCBJJXEGJM-UHFFFAOYSA-N 348.357 2.142 0 1 EEAF COC(=O)c1ccc2[nH]c(C(=O)Cc3ccccc3OC)nc2n1 587929388 IMZITMVIJLJNKS-UHFFFAOYSA-N 325.324 2.179 0 1 EEAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)nccc3[nH]2)cc1 586940174 WLOFLHNSQJBRRW-SNVBAGLBSA-N 346.412 2.407 0 1 EEAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ncc[nH]c-2n1 587260329 VGKFCHRDDAAOEM-ZDUSSCGKSA-N 340.387 2.011 0 1 EEAF Nc1cnc(-c2nc3c(I)cccc3[nH]2)nc1 587253039 YPZLUDMKHSRHMV-UHFFFAOYSA-N 337.124 2.207 0 1 EEAF CCOC(=O)[C@H](N=O)[C@]1(C)NCCc2c(OC)ccc(Cl)c21 963270682 QSLRECKUGLNZQW-DZGCQCFKSA-N 326.780 2.408 0 1 EEAF CCC(=O)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 169701188 ASCYYFMENLEJPQ-HNNXBMFYSA-N 339.399 2.459 0 1 EEAF COC(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 168466369 YEMGRNZLFUZGTR-LLVKDONJSA-N 338.371 2.273 0 1 EEAF CCCCN=c1[nH]c(=N)[nH]c2c1CN(Cc1ccc(OC)cc1)CC2 1857648411 MBTBUNQFZQAOLT-UHFFFAOYSA-N 341.459 2.090 0 1 EEAF CCOC(=O)Cn1c(=O)c2nc(SC)sc2n(CC)c1=S 1644421 NNPFGWNJYLQTIS-UHFFFAOYSA-N 345.471 2.294 0 1 EEAF O=c1c2ccccc2nnn1Cc1nnc(Nc2ccccc2)s1 103205509 RCIYBCLAQHPAGS-UHFFFAOYSA-N 336.380 2.435 0 1 EEAF NC(=O)c1cccc2c(N[C@@H]3CNC[C@@H](c4ccccc4)C3)ncnc12 114348333 YEVTXUFUOGTALP-GJZGRUSLSA-N 347.422 2.286 0 1 EEAF CC(C)(CO)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21 68248385 NORCYAGQZVMECV-MWLCHTKSSA-N 347.365 2.311 0 1 EEAF CN1CC=c2c([nH]c3ccccc23)=C1C[C@@]1(C)CC[C@@H](C(C)(C)O)O1 2356810314 HUIPXXLAQRVOES-GHTZIAJQSA-N 340.467 2.101 0 1 EEAF O=C(CN1CCOCC1)c1ccc(OCCCN2CCCC2)cc1 73277942 PFHIUTOSTQBJMW-UHFFFAOYSA-N 332.444 2.066 0 1 EEAF CCc1nc(C(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)cs1 82069384 INEAQRDIAWEVDB-LBPRGKRZSA-N 347.440 2.467 0 1 EEAF CCOC(=O)C(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 40504123 AHJJUFMYMBTDDB-UHFFFAOYSA-N 336.369 2.329 0 1 EEAF C[C@@H]1CNc2c(NCC3CC3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82212279 SBZUJQXZVAPAFN-LLVKDONJSA-N 344.390 2.006 0 1 EEAF O[C@@H]1[C@@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 95607478 STBHTUOPFMOXDX-WOUAJJJCSA-N 341.407 2.387 0 1 EEAF CC1(C)[C@H](O)[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 238760550 NESNZFKXFINLSW-YBINERFMSA-N 338.488 2.084 0 1 EEAF COc1cc(O)c2c(c1)C=CC[C@H](O)[C@H](O)C=C[C@H](C)[C@H](C)OC2=O 299811651 NAWYJXUUEIIVTF-GVAFMPQTSA-N 348.395 2.277 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)CC[C@@](O)(c1cccc(Cl)c1)C3 587368892 REUWPFUNZINTJN-KRWDZBQOSA-N 343.770 2.466 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)N(C)C)[nH]1)[C@@H](C2)C3=O 587438001 KIZXTIQAERGIMM-GTNSWQLSSA-N 326.352 2.214 0 1 EEAF COc1c(F)ccc(-c2nc3nc(Br)c[nH]c-3n2)c1N 587133603 VSDAPFUBYFFXBL-UHFFFAOYSA-N 338.140 2.464 0 1 EEAF O=C1NCCN1c1ccc(CN2CCC[C@@H](N3CCCC3)C2)cc1 19835979 BEFRDPNMHZJQJM-GOSISDBHSA-N 328.460 2.276 0 1 EEAF C[C@H]1C[C@@H]2[C@H](CC[C@](C)(O)C=C3[C@H](O)[C@@H](C)C[C@@]3(O)C1=O)C2(C)C 254129965 ZFDMXNDICCVTAD-UWSVMEGOSA-N 336.472 2.457 0 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Cc1ccc(CNc2nc(N3CCC(C(N)=O)CC3)ncc2C)cc1 82203470 DDPSPGMFMBSNQM-UHFFFAOYSA-N 339.443 2.407 0 1 EEAF CCC(=Cc1cc(C(=O)O)ccc1N1C(=O)CCC1(CO)CO)CC 84654130 BOIJNHMNUWDKGW-UHFFFAOYSA-N 347.411 2.438 0 1 EEAF CN1C(=O)[C@]2(N=C1N)c1ccccc1OC21CCc2ccccc2CC1 141470443 JNZJTMDNPROKMG-OAQYLSRUSA-N 347.418 2.379 0 1 EEAF Cc1oc(-c2ccsc2)nc1Cc1nc2c(O)nc(O)nc2[nH]1 587027573 VWENDCLTDFWUDW-UHFFFAOYSA-N 329.341 2.380 0 1 EEAF CC(C)(C)OC(=O)NC1(c2nc3c(N)ccnc3[nH]2)CCC(=O)CC1 587234972 ZWBHHXOQXRKRJM-UHFFFAOYSA-N 345.403 2.403 0 1 EEAF O=C(/C=C/c1nc2ccc(S(=O)(=O)O)cc2[nH]1)Nc1ccccc1 587243189 CVJJEOGSQPGDCE-CMDGGOBGSA-N 343.364 2.462 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@]2(C(=O)O)[C@@H]1[C@H]3[C@@H]42 587409882 XHHYDMXZAOYSGO-NZCPQDMUSA-N 337.375 2.124 0 1 EEAF COc1ccc2c(c1)CC[C@@](N)(c1nc3c(Cl)ncnc3[nH]1)C2 587247703 XNQSQYOJLNCZEZ-INIZCTEOSA-N 329.791 2.358 0 1 EEAF CNS(=O)(=O)c1cc(-c2nc3cc(OC(C)C)ccc3[nH]2)n(C)c1 586947432 OHKSGNAYEVMRMP-UHFFFAOYSA-N 348.428 2.264 0 1 EEAF CC(C)(C)OC(=O)NC[C@H]1CCC[C@]12N[C@H]1Cc3c2ccnc3C1=O 963289871 QXTZCYZLFDPPIP-WQBCIRTESA-N 343.427 2.312 0 1 EEAF CC1=C[C@@]2(CC(=O)N1C1CC1)NC[C@H]1CC(=O)N(C)c3cccc2c31 963038558 ZGIAGOFAASJTQM-XCLFUZPHSA-N 337.423 2.234 0 1 EEAF O=C1CCN(Cc2ccc(O)cc2)CCN1[C@H](CO)c1ccccc1 12474561 BBSMOMYKEHJDLJ-LJQANCHMSA-N 340.423 2.160 0 3 EEAF COc1cccc(CNC(=O)c2nc3sc(C)cc3c(=O)[nH]2)c1 202716418 KQRXGMWNYNPXDQ-UHFFFAOYSA-N 329.381 2.232 0 1 EEAF COCCCOc1ccc(Nc2nccc(N3CCOCC3)n2)cc1 1857558296 RTBAAUJEJBZJHE-UHFFFAOYSA-N 344.415 2.472 0 1 EEAF O=C1COc2cc(CN3CCOCC3)ccc2N1Cc1ccccc1 103245212 FHLGIJIZUYHIPX-UHFFFAOYSA-N 338.407 2.444 0 1 EEAF CNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N 71295285 FKATWOUWYYENKU-UHFFFAOYSA-N 338.367 2.256 0 1 EEAF Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3c(=O)o2)cc1 27896540 FDRJXUCJXHUEBU-UHFFFAOYSA-N 330.365 2.322 0 1 EEAF CC(C)NC[C@@H](O)COc1ccc(OCCCn2cccn2)cc1 27556406 LGGPPIRNVVFQFN-MRXNPFEDSA-N 333.432 2.090 0 1 EEAF C[C@]12C[C@@H]1CC[C@]1(C)[C@@H]3C[C@@H]4OC(=O)C(CO)=C4C=C3[C@@H](O)C[C@@H]21 2356494011 ONNYIOKWWWSKHZ-UXLPCCJWSA-N 330.424 2.354 0 1 EEAF Cc1cc(CN2CC[C@H](CNC(=O)c3ccc(O)c(Cl)c3)C2)n[nH]1 67642810 BHSDGACRERPWIU-GFCCVEGCSA-N 348.834 2.329 0 1 EEAF CC(C)N1C[C@@H](CNC(=O)Nc2nc(C3CCCCC3)n[nH]2)CC1=O 39500063 OEAQMHGPUCJXIX-GFCCVEGCSA-N 348.451 2.231 0 1 EEAF COc1cc2c(cc1O)CCN1C(=O)c3cncc([C@@H](C)O)c3C[C@@H]21 13309759 ARFLVLFKQGMNQG-HWPZZCPQSA-N 340.379 2.145 0 1 EEAF biogenic O=C(O)c1cc(O)c2c(C(=O)c3ccc(O)cc3)ccc(O)c2n1 14772659 SXVQNDYQNDZRKI-UHFFFAOYSA-N 325.276 2.281 0 1 EEAF biogenic O=C(O)C(=O)N(c1ccccc1/C=C/CO)c1ccccc1C(=O)O 43074071 HRCHJNMRGOQZOI-FNORWQNLSA-N 341.319 2.140 0 1 EEAF COc1cc(/C=C/C(=O)OCCc2ccc(N)nc2)cc(OC)c1O 653859697 UGNXGUMLQXEJSV-GQCTYLIASA-N 344.367 2.186 0 1 EEAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(-n5cnnn5)cc4[nH]1)(C3)C2 587969665 UCTWCEKVLGTMBU-KAXHKUEBSA-N 334.383 2.185 0 1 EEAF COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(C(C)(C)C)[C@@H](C2)C3=O 587448401 ITQIUDUUYIBIBB-YVEFUNNKSA-N 338.425 2.272 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc1 586950746 LAFRHBQZIRHRRS-UHFFFAOYSA-N 349.343 2.439 0 1 EEAF Cc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1F 586960004 URIACIPLGVOFMP-MRXNPFEDSA-N 349.387 2.479 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncnn2C)N1 587759740 MMDQRGGODSYNRL-JVXZTZIISA-N 325.185 2.340 0 1 EEAF COc1cncc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587008577 MNNKCBYVGZKHNG-UHFFFAOYSA-N 345.160 2.439 0 1 EEAF Cc1c(O)ccc2c1[C@]1(CCC3(C[C@H]1C)OCCO3)N[C@H](C(=O)O)C2 963508725 MCWLUUYUIUKHNF-CILWKZBWSA-N 347.411 2.058 0 1 EEAF Cc1c(O)ccc2c1C1(N[C@H](C(=O)O)C2)[C@H]2CC3C[C@H]1CC(O)(C3)C2 963525508 NIASKMVKZVVIEY-AGUJYFDJSA-N 343.423 2.066 0 1 EEAF CSC[C@@H](C)N1CCC(N2CCC(C(=O)NC(C)C)CC2)CC1 12313743 KFZIKAFEDLMUHZ-OAHLLOKOSA-N 341.565 2.439 0 1 EEAF O=C1c2cc(Cl)ccc2S(=O)(=O)c2cc(C3=NCCN3)ccc21 13755803 VMRKITUFBCAJLW-UHFFFAOYSA-N 346.795 2.067 0 1 EEAF COc1cc([C@H](OC)[C@@H]2OC[C@@H](O)[C@H]2c2ccc(O)cc2)ccc1O 200979469 YNZAIYQWLLYYIN-OQIJWPOYSA-N 346.379 2.337 0 1 EEAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1C[C@H](O)[C@H]1[C@@H]3C[C@@H](C[C@@H]12)OC3=O 104370945 OEIFXOHVCYVTGK-KSTRJOQUSA-N 346.379 2.223 0 1 EEAF in-man C[C@]12CC[C@@H]3NC(=O)C=C3[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 2356463759 LGVJHWQZLCCTPA-NSXXLHRISA-N 331.456 2.151 0 1 EEAF CC(=O)NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 72103910 SEYYLZJBQFTZRL-GOSISDBHSA-N 346.381 2.445 0 1 EEAF Nc1nc2c(s1)CCCc1ccc(OCP(=O)(O)O)cc1-2 45301548 AUNLKQZHZHKDSP-UHFFFAOYSA-N 326.314 2.395 0 1 EEAF CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)c(O)c2n(CCC)c1=O 40380236 CONRYLOMRLYYJO-UHFFFAOYSA-N 342.399 2.266 0 1 EEAF CNc1nc(NCCCn2ccnc2)nc2cc(OC)c(OC)cc12 82131727 AWAKRUMPLRTWRF-UHFFFAOYSA-N 342.403 2.387 0 1 EEAF CCCCn1nnnc1[C@]1(C)CCC(=O)N1CCc1ccc(O)cc1 199215154 SNJCCHHAKMSPLB-SFHVURJKSA-N 343.431 2.259 0 3 EEAF CO[C@]12C[C@@]3(CC[C@H]4c5c(cc(O)c(c53)O1)CCN4C)CC[C@H]2O 238743988 FKUISVKPMQSWTN-MQRGZFNUSA-N 331.412 2.233 0 1 EEAF COc1ccc([C@@H]2Sc3ccccc3N(CCO)C(=O)[C@H]2O)cc1 34613665 KGGGMORTSFTLQR-IRXDYDNUSA-N 345.420 2.228 0 1 EEAF biogenic c1cc2c(cc1CN1CC[C@@H]3CO[C@H](CN4CCCC4)[C@@H]3C1)OCO2 299841703 CARLFCBCKCRDHO-MBOZVWFJSA-N 344.455 2.348 0 1 EEAF CCOC(=O)c1c(N)sc(C(=O)Nc2ccc(C(N)=O)cc2)c1C 473126422 SXPKUJGXURVZCQ-UHFFFAOYSA-N 347.396 2.167 0 1 EEAF N=c1[nH]cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)nc-2[nH]1 587018131 WLIKFTYYYVHEFF-UHFFFAOYSA-N 336.380 2.442 0 1 EEAF C[C@]1(CS(C)(=O)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606688 ITSMEAWNYUNGJU-WMLDXEAASA-N 348.376 2.157 0 1 EEAF O=S(=O)(N[C@@H]1CCc2c([nH]c3ccccc23)C1)c1cccnc1 1772625432 OVNACAUHHHTCAU-GFCCVEGCSA-N 327.409 2.399 0 1 EEAF CCOC(=O)C1=C(CN2CCCC2)N(C)C(=O)N[C@H]1c1ccccc1 1857774050 WEMMDPZXCMHJPN-KRWDZBQOSA-N 343.427 2.296 0 1 EEAF COc1cccc(CNC(=O)CCS(=O)(=O)c2cccs2)c1 213714 NKTGHBMRFYEIJM-UHFFFAOYSA-N 339.438 2.237 0 3 EEAF Cn1c2c(c3ccccc31)CC(=O)N1CCCC[C@H]1C21OCCO1 1654410 QWJZPEPCAXQADS-INIZCTEOSA-N 326.396 2.315 0 1 EEAF O=C(O)COc1cc(O)c(C(=O)CCc2cccc(O)c2)c(O)c1 6092463 ZVKYUJDNWXPURW-UHFFFAOYSA-N 332.308 2.082 0 1 EEAF C[S@@](=O)CCn1c(Cn2nnc3ccccc32)nc2ccccc21 26251867 RKLGYXKJAPAMOF-DEOSSOPVSA-N 339.424 2.208 0 1 EEAF CC(=O)[C@H]1C(=O)[C@@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 100382712 TZCOBUQKVNFIQF-SDNTUTLCSA-N 336.391 2.201 0 1 EEAF COCCNC(=O)[C@]1(C)CCCN(Cc2ccccc2N(C)C)C1 61925815 YPXXEJGMPNSADS-LJQANCHMSA-N 333.476 2.117 0 3 EEAF C[C@@H]1C(=O)[C@]23[C@@H](O)[C@@H]1C[C@H]1OC[C@]4(CCCC(C)(C)[C@H]4C[C@H]2O)[C@H]13 504617453 LTTPBOKKKVOQID-LNIKZUHTSA-N 334.456 2.165 0 1 EEAF biogenic CC(=O)N[C@@H]1CCN(c2ncc(C)c(NC3CCC(C)CC3)n2)C1 82203485 JQDZTBCZOCAAAS-VDSRIPIWSA-N 331.464 2.490 0 1 EEAF NC1=N[C@@](c2cc(Nc3ncccn3)ccc2F)(C(F)F)COC1 145387944 FBODVRNZZXUAQO-HNNXBMFYSA-N 337.305 2.207 0 1 EEAF CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC(C)=O)cc2)C1=O 98085025 KSOLVXLFNSNDHQ-JYRVWZFOSA-N 349.364 2.211 0 1 EEAF CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)C[C@@H](O)[C@@]31Nc2ccc(OC)cc2C1=O 473166188 DSABJRUCTHPZJA-ADDQASITSA-N 342.439 2.153 0 1 EEAF C[C@@H]1c2nnc(-c3ncns3)n2CCN1C(=O)c1ccc(F)cc1 473132730 VLHNGOVFBBNFFJ-SECBINFHSA-N 344.375 2.153 0 1 EEAF CCn1cc(Br)c(-c2ccc3c(O)nc(O)nc3n2)n1 587366120 KAISJNHYLBQHIE-UHFFFAOYSA-N 336.149 2.082 0 1 EEAF O=C(O)CCc1cc(O)n(-c2ccnc(Br)c2)c1O 587939800 JNWWOJJLDSBYLI-UHFFFAOYSA-N 327.134 2.063 0 1 EEAF Cc1c(F)ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c12 586929645 ZROOUNHBGDBPTJ-UHFFFAOYSA-N 334.376 2.226 0 1 EEAF CCOC(=O)CNc1ccc(-c2nc3cc(C(=N)N)ccc3[nH]2)cc1 587224249 HPFKUDUZDSKFLQ-UHFFFAOYSA-N 337.383 2.489 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)NC[C@H]2C)N1 587791639 GQQQYLZTUVCULL-XWRVAKJBSA-N 341.224 2.474 0 1 EEAF CCOC(=O)Cc1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1 586893932 YCIXNHSUOXPJGR-QGZVFWFLSA-N 326.352 2.456 0 1 EEAF Nc1ncc2c(n1)C[C@@H](c1ccco1)C[C@]21NCCc2ccc(O)cc21 963342822 TWRDHJPNHQCLQA-ZUOKHONESA-N 348.406 2.477 0 1 EEAF CN1CCc2cnn(C)c2[C@H]1c1ccc(OCCn2ccnc2)cc1 963954048 GEMVQBAASPQKES-GOSISDBHSA-N 337.427 2.273 0 1 EEAF CCOC(=O)[C@@H]1CCCN(c2cc(C(=O)O)c3cc(N)ccc3n2)C1 21715349 RAUQPIHROFMUCD-LLVKDONJSA-N 343.383 2.295 0 1 EEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCSCC3)cc21 5848162 XMXSCUUDJMDYLC-UHFFFAOYSA-N 336.388 2.412 0 1 EEAF COc1cccc(CC(=O)NC[C@H]2COc3ccccc3O2)c1OC 72720 CBMVZZGLJFGZAA-AWEZNQCLSA-N 343.379 2.203 0 3 EEAF CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(C3CC3)c2n1 4238889 JVIBPZDFURLCRP-UHFFFAOYSA-N 335.411 2.373 0 1 EEAF CC(C)Oc1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 4264474 MDWANRGQQKBNSF-UHFFFAOYSA-N 331.328 2.454 0 3 EEAF C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCCN(C)C2)C1=O 100824873 JEBIQDWUBWGGRV-UONOGXRCSA-N 344.411 2.085 0 1 EEAF O=C([C@@H]1CCCO1)N1CCC(n2cc(-c3ccc(F)cc3)nn2)CC1 20137700 LYEWDIAFQDNXFB-KRWDZBQOSA-N 344.390 2.427 0 1 EEAF Cc1[nH]c2ccc(O)cc2c1CC(=N)NCCCN1CCCC1=O 27523611 WSYIRWYFIHNSAX-UHFFFAOYSA-N 328.416 2.304 0 1 EEAF C[C@H](O)[C@@H]1CC(=O)[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C=C1C[C@H]3O 2356501827 OASBCMLUEZFXHQ-ZUFZTFPASA-N 348.483 2.457 0 1 EEAF CCC(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)C=Cc3ccccc3)[C@@H](C1)N2 2356539302 JUPCRQLGNACVMQ-MWDXBVQZSA-N 329.396 2.458 0 1 EEAF COc1ccc2c3c1O[C@H]1C=C([C@@H](C)O)C[C@@H]4[C@@H](C2)N(C)CC[C@]314 27719819 QWIOCLNAHOMHPC-OTLTYQLQSA-N 327.424 2.281 0 1 EEAF Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3cccs3)c2n1 29047748 GKLBSQTXWHNDSY-UHFFFAOYSA-N 340.368 2.488 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@H]([C@H](C)O)C[C@@H](C1)[C@H]23 2356781309 AYINTZJVMWGZAN-NXTXXJGOSA-N 340.423 2.024 0 1 EEAF CN1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](C2=NCCN2C)C1 142569718 QGUQWUFXYGYVAK-OAHLLOKOSA-N 341.286 2.453 0 1 EEAF CS(=O)(=O)c1ccc(/C=C(/C(=O)O)c2ccc3c(c2)OCO3)cc1 95586546 OKVKCGUYNKVRGD-RIYZIHGNSA-N 346.360 2.444 0 1 EEAF CCOC(=O)Cc1csc(NC(=O)CN2C=CC(=CN=O)C=C2)n1 473091814 ZKVOFFYTPMHONR-UHFFFAOYSA-N 348.384 2.181 0 1 EEAF CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587400106 NHZCBCUZDWKNBF-VOJFVSQTSA-N 349.383 2.044 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CN2CCOCC2)N1 587774013 LKPYCYNXEZJWGD-GWCFXTLKSA-N 343.240 2.496 0 1 EEAF Cc1cc2c(cc1O)[C@H](c1cnn(C(C)C)c1C)N[C@H](C(=O)O)C2 963491903 OBLHAFDNROURMM-DOTOQJQBSA-N 329.400 2.475 0 1 EEAF Cc1c2c(nn1C)[C@@](C)(c1cc(F)cc(F)c1F)N[C@@H](C(=O)O)C2 962714036 PUIFWHYQYSYPHH-MLGOLLRUSA-N 339.317 2.008 0 1 EEAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CO[C@@H]2CCCO[C@@H]2C1 963582108 OZXQZABZTKFSIN-FCFFQYRPSA-N 333.428 2.401 0 1 EEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Oc1ccccc1 169295069 LSSXITVLSRQODU-FLMUCADWSA-N 337.375 2.035 0 1 EEAF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2O)cc1N 169307681 KTISOWMSEUFSQY-UHFFFAOYSA-N 333.340 2.240 0 1 EEAF O=c1c2ccccc2nnn1Cc1cc[n+](Cc2ccccc2F)cc1 1857541130 AVRKMNRKOMBWEE-UHFFFAOYSA-N 347.373 2.315 0 1 EEAF CCC(CC)C(=O)Nc1cc(NC(C)=O)c(N)cc1OCC(=O)O 103253693 RTNRMSQRRDSPTN-UHFFFAOYSA-N 337.376 2.065 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3[C@@H]2C=C2CCCC(C)(C)[C@]23O)OC1=O 2356556531 FIKOOQXJBAJJSE-HHEAZKOWSA-N 346.379 2.139 0 1 EEAF CCCCC[C@H](O)C=C[C@H]1[C@H](CCCCC(=O)O)[C@H](O)C[C@H]1O 2356595211 XHHYJZGDOMKLEE-SMLCLMEVSA-N 328.449 2.487 0 1 EEAF Cc1c(C=C[C@H](O)C[C@H](O)CC(=O)O)ccc2c1[C@H](O)C[C@@H](C)C2 2356703073 KYDBWGRCKWMGOO-GNCDUGFZSA-N 334.412 2.211 0 1 EEAF CC(C)=CCn1cc(C[C@H]2NC(=O)[C@H](C)NC2=O)c2ccccc21 2356753972 UNYNGLCVZKLLDV-XJKSGUPXSA-N 325.412 2.153 0 1 EEAF C/C=C\[C@H]1Oc2ccc(OC)cc2N2C(=O)[C@@H](C)[C@@H](OCOC)[C@@H]12 73096332 BSKPAPARTCMSGM-KNRXTECBSA-N 333.384 2.373 0 1 EEAF COC(=O)[C@@H](NC(=O)c1c(Cl)sc2nnsc12)C(C)C 84740488 GOTJLONEYKRWHF-LURJTMIESA-N 333.822 2.334 0 1 EEAF CO/C(=C\c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 84670268 OSFOPIPOGIRMHL-BQGMYUGNSA-N 341.363 2.192 0 1 EEAF CC(=O)O[C@H]1C[C@@H]2C[C@H](OC(=O)/C=C\c3ccccc3)C[C@H]1N2C 238767810 QKTXQEDBXGTOFH-PKJXHJKLSA-N 329.396 2.410 0 1 EEAF COc1ccc(CN2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)cc1 299841655 ADWGIJDPNXNSRL-XUVXKRRUSA-N 347.455 2.338 0 1 EEAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(F)cc(F)c3[nH]2)c1 587141778 BSHBICBJMIYARJ-UHFFFAOYSA-N 327.287 2.295 0 1 EEAF COC(=O)c1cnc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587452192 RCRQDVLNJKRXIL-YMTOWFKASA-N 331.349 2.427 0 1 EEAF COc1cc2c(cc1OC)[C@]1(c3ncccc3C[C@@H]1N)N(C)[C@H](C)C2 962574265 UBRKPZYSPYYJIE-OACQNMCBSA-N 339.439 2.102 0 1 EEAF CN1CCc2cnn(C)c2[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]12 963954799 LTJTWISIKTUQQR-QMTMVMCOSA-N 346.475 2.380 0 1 EEAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2cn1)c1ccccc1 1772619992 VDSWDUSLTHNZQB-CQSZACIVSA-N 341.371 2.476 0 1 EEAF O=C1[C@H]2[C@H](C(=O)N1c1ccc(-c3ccccc3)cc1)[C@]1(CO)C=C[C@H]2O1 13154092 YWKKQTJSTXXAPM-NEYJZJCJSA-N 347.370 2.159 0 1 EEAF CO[C@@]12CCC(=O)[C@@H]3Oc4cccc5c4[C@]31CCN(CC1CC1)[C@@H]2C5 101987348 NIFYTFYAAJWEAC-GFOJFJKKSA-N 339.435 2.474 0 1 EEAF O=C1CC[C@H](O)[C@@H]2[C@@H]1[C@H](O)C=CC21Oc2cccc3cccc(c23)O1 2356505577 JDOPKJKDJUPYHU-SPLQCWDRSA-N 338.359 2.194 0 1 EEAF CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 27208766 PUSOJHCLXKMHFR-ZDUSSCGKSA-N 340.807 2.220 0 1 EEAF CC=C1CN2[C@H]3C[C@@H]1[C@H]1C(=O)[C@@]4(C[C@@H]12)c1ccc(OC)cc1N(C)[C@H]34 2356635808 LEHVAVBEMNLCAM-MTGIGDSSSA-N 336.435 2.373 0 1 EEAF NC(=O)OC1=C(OC(N)=O)[C@@H](c2ccccc2)N[C@H]1c1ccccc1 26379405 YJPVVYVJABRZML-OKILXGFUSA-N 339.351 2.474 0 1 EEAF CC(C)(O)[C@@H](O)Cc1c(O)c(C=O)cc2c1[nH]c1c(O)cccc12 15272368 RJSNUZVDUXENNX-AWEZNQCLSA-N 329.352 2.219 0 1 EEAF biogenic CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(CC)CC1 199216975 QXWWVSLZEACAFU-QGZVFWFLSA-N 328.464 2.200 0 3 EEAF O=C(NC1CC1)c1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1 222362983 RBMGPKBTCQTHJY-UHFFFAOYSA-N 346.390 2.408 0 1 EEAF CCOC(=O)[C@@](C)(OC(C)=O)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398126 CEEGONZSGRILSS-ZWKOTPCHSA-N 349.383 2.186 0 1 EEAF O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CC1 587572724 QJAISIFREINZNL-HOTGVXAUSA-N 339.347 2.249 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)c(F)c1)(C(O)O)O2 587382845 UWCDPEBPHXYEDK-KRWDZBQOSA-N 335.306 2.027 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(CCC(=O)O)N1 587750347 SZEPBUNZXZIHLG-CLAHSXSESA-N 345.212 2.141 0 1 EEAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccnc(O)c3[nH]2)cc1 586941841 XCOVEBJOAZOWCY-VQHVLOKHSA-N 344.396 2.062 0 1 EEAF CN1C(=O)C[C@H]2CN[C@@H](c3cnc4n3C=CCC4=O)c3cccc1c32 963028664 PDNBFLBRVWXMSA-BBATYDOGSA-N 334.379 2.083 0 1 EEAF Nc1ccc2c3c1[C@]1(C[C@H](C(=O)O)Oc4ccc(F)cc41)N(CC3)C2 962948615 BADJVLJDWXJNLB-VQIMIIECSA-N 340.354 2.259 0 1 EEAF CCCCCCc1ccc(NC(=O)[C@@H](N)COP(=O)(O)O)cc1 13553476 JQFBRAVKVRCQHJ-AWEZNQCLSA-N 344.348 2.185 0 1 EEAF CS(=O)(=O)c1ccc(-c2cc(CO)nn2Cc2ccccc2)cc1 13560519 IMHJCOQQBQERIS-UHFFFAOYSA-N 342.420 2.494 0 1 EEAF COc1cccc(CNc2nc3nc(C)c(C)c(O)n3n2)c1OC 100695432 ZZDADUYMVFOQIA-UHFFFAOYSA-N 329.360 2.076 0 1 EEAF CC(=O)O[C@H](C)C1=CC(=C(Br)Br)OC1=O 64459358 XQCQHDBEJIDTLV-SCSAIBSYSA-N 339.967 2.380 0 1 EEAF COc1cc2ccnc3c2c2c1O[C@@]1(OC)C[C@@]2(CC[C@@H]1O)CC3=O 2356465640 BPPPUYBMVFXVFI-BKTGTZMESA-N 341.363 2.348 0 1 EEAF COc1cc2c(cc1OC)[C@@]13CCN(C)[C@@H](C2)[C@H]1CC(=O)[C@H](OC)C3 2356594486 UVQNELLAYVUQEY-ITKAJJHTSA-N 345.439 2.196 0 1 EEAF O=C(NCCCn1cncn1)c1ccc(C(=O)c2ccccc2)cc1 27562096 WKLVYNTZUIEGIG-UHFFFAOYSA-N 334.379 2.329 0 1 EEAF C/C=C(/CO)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@H]1CO 34649421 AXTRBQOMEOBKOZ-VDEUXHOVSA-N 340.423 2.161 0 1 EEAF Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(N(C)CCO)n1 40895281 DLOBDQAAPJQVRD-UHFFFAOYSA-N 333.363 2.268 0 1 EEAF O=C1c2ccccc2C(=O)N1CCOC(=S)NCc1ccccc1 40379469 UHAZLXFYGLZOKM-UHFFFAOYSA-N 340.404 2.374 0 1 EEAF Cc1ccc(N2C(=O)N[C@H]3CCN(C(=O)CC(C)(C)C)[C@H]3C2=O)cc1 25229399 NBADFWLYQMFJLC-GOEBONIOSA-N 343.427 2.457 0 1 EEAF biogenic O=S1(=O)C[C@H]2c3ccccc3CCN2CN1Cc1ccccc1 96019132 PIOSXDKAAQIKCL-SFHVURJKSA-N 328.437 2.389 0 3 EEAF CN(C)C(=O)c1ccc(-c2cncc3sc(C(N)=O)c(N)c23)cc1 621431203 FEDVZKSRLYFGJA-UHFFFAOYSA-N 340.408 2.346 0 1 EEAF COC(=O)[C@H]1C[C@@H](C(=O)OC)[C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]12 653794074 GJVWSFKRACHHRH-FMCLSXCISA-N 337.759 2.041 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nn2)N1 587760695 PXTMOBJDCUVFDO-FUXBKTLASA-N 325.185 2.340 0 1 EEAF COc1cncc(N)c1-c1nc2cc(OCCN(C)C)ccc2[nH]1 587254416 PKYRQYIKNYEYPJ-UHFFFAOYSA-N 327.388 2.156 0 1 EEAF CNc1nc(Cl)ncc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419430 DZFMPEBLSLFPLX-OTYXRUKQSA-N 331.759 2.669 0 1 EEAF Nc1ncc(Cl)nc1-c1nc2cncc(Br)c2[nH]1 587087508 RITMLWIZVLULGS-UHFFFAOYSA-N 325.557 2.413 0 1 EEAF N=c1[nH]cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc-2[nH]1 587079306 ILXGNCXQAFWXKI-JTQLQIEISA-N 327.779 2.094 0 1 EEAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587971155 VBBIMHKYDVYGEH-AYMMMOKOSA-N 332.209 2.220 0 1 EEAF COC(=O)[C@@]12COCC=C3CN(CC[C@@H]31)Cc1c2[nH]c2ccccc12 13360095 IFPNVCKONQNHIZ-JXFKEZNVSA-N 338.407 2.371 0 1 EEAF COc1ccc(CC2(CO)CCN(Cc3cnn(C)c3)CC2)cc1 13595917 ZLFXAVOAUBOBQS-UHFFFAOYSA-N 329.444 2.246 0 3 EEAF CNC(=O)c1ccc2c(c1)S(=O)(=O)c1c(C)cc(C)cc1C2=O 13606026 JSFBPQAROFZEEN-UHFFFAOYSA-N 329.377 2.040 0 1 EEAF COCCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCSC)[C@H]1C 169712606 POFFHJOYUPFBAU-GXFFZTMASA-N 343.445 2.083 0 1 EEAF COc1ccc([C@@]2(O)c3c(ccc(O)c3OC)[C@H]2OC)c(OC)c1 1624592 LDKDGBBDRXCETJ-QZTJIDSGSA-N 332.352 2.355 0 1 EEAF CC(C)(C)OC(=O)N1O[C@H]2C[C@H]1[C@H]1[C@@H]2N=NN1CCc1ccncc1 2356322173 ANOKHENGFVYZOL-XQLPTFJDSA-N 345.403 2.367 0 1 EEAF C[C@H]1CN(C(=O)CCC(=O)NCc2ccco2)c2ccccc2O1 20466207 JQWOQYPWGDOCOK-ZDUSSCGKSA-N 328.368 2.490 0 1 EEAF C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC1=C[C@](C)([C@H](O)CO)CC[C@H]12 2356684315 MXHRQWXLVXRIMG-IRIQXGSBSA-N 338.488 2.252 0 1 EEAF NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc21)c1ccc2c(c1)OCO2 29047744 MJXIPRPHBIFHJC-MGPUTAFESA-N 336.391 2.221 0 1 EEAF O=C(O)[C@@H]1CSc2c(C3CC3)c(CN3CCCCC3)cc(=O)n21 71295984 CUXXVYCHNLJARA-ZDUSSCGKSA-N 334.441 2.443 0 1 EEAF O=C(N[C@H]1CCCCNC1=O)c1csc(Nc2ccccc2)n1 82086293 AKGUHRXLMJPYFB-LBPRGKRZSA-N 330.413 2.285 0 1 EEAF C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@@H]1CC[C@H]1C[C@H]3C[C@]12CC[C@]3(O)CO 148180947 NOFOAYPPHIUXJR-SQTHQVPUSA-N 338.488 2.086 0 1 EEAF biogenic,in-vitro COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2OC)cc1OC 238766990 VTFBVXOENQUZIV-QZTJIDSGSA-N 346.335 2.446 0 1 EEAF O=C(O)CSc1ncccc1-c1nc2cc(C(=O)O)ccc2[nH]1 586969660 YVLCFSYDNQLNOX-UHFFFAOYSA-N 329.337 2.500 0 1 EEAF N[C@H](Cc1cscn1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587030035 YVUXBPHEKHFZDW-CQSZACIVSA-N 343.456 2.094 0 1 EEAF Cc1cnc2[nH]c(Cc3nnc(NC(=O)OC(C)(C)C)s3)nc2c1 587024247 QYWRPEQFVVIVHL-UHFFFAOYSA-N 346.416 3.056 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)C(C)(C)n1cncn1 963639380 VARWZMCANFHWMI-KPZWWZAWSA-N 330.432 2.480 0 1 EEAF O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1CC1CCCCC1 13612246 BHYMEERNNUVKJU-UHFFFAOYSA-N 327.340 2.217 0 1 EEAF O=S(=O)(CCC(F)(F)F)c1ccc2c(c1)CN[C@H](CF)C2 14951665 PLAGCAJUHTWGBP-NSHDSACASA-N 325.327 2.397 0 1 EEAF NS(=O)(=O)c1ccc(-c2cc([C@@H]3C[C@@H]4CC[C@@H]3N4)cnc2F)cc1 101556261 LSPFRPGGOBZZFJ-NOLJZWGESA-N 347.415 2.143 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NCC1[C@@H]2CC3C[C@@H]1CN(C3)C2 101022753 NXFATKJPSQMNCO-CBKZZEEASA-N 349.862 2.248 0 1 EEAF COC(=O)C[C@@H](c1cccc(Cl)c1)c1c[nH]c2c(=O)[nH]c(N)nc12 27207870 VZSYNUQZHIVEOL-JTQLQIEISA-N 346.774 2.182 0 1 EEAF COC(=O)[C@]1(c2cc3ccccc3[nH]2)COCC=C2CN(C)CC[C@@H]21 85997899 SSQMYHQHWMKUFY-OXJNMPFZSA-N 340.423 2.487 0 1 EEAF NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)nn2)cc1 96908716 HAWCZVJGMWCISJ-UHFFFAOYSA-N 334.788 2.235 0 1 EEAF CO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccc(OC)c1OC 621474206 FOLFVCJNGOZRLR-FRRXJZEGSA-N 330.344 2.407 0 1 EEAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 299882497 PWBQLCUKFHNBBC-MZMPZRCHSA-N 341.411 2.438 0 1 EEAF Cc1ccc2c3c(cc(Cn4[nH]nnc4=N)nc13)-c1ccccc1C2=O 587098917 XDKNBQRKTZZOJN-UHFFFAOYSA-N 342.362 2.202 0 1 EEAF COc1cc(C(C)=O)c(OC)n1-c1c[nH]cc(Br)c1=O 587939941 FSQOLYXHNOCMSX-UHFFFAOYSA-N 341.161 2.148 0 1 EEAF Oc1ccc([C@@H](O)CN2CCC(O)(Cc3ccccc3)CC2)cc1 13742654 JOXQARHLDJQRMY-IBGZPJMESA-N 327.424 2.495 0 1 EEAF N=C(N)c1ccc2cc(C(=O)NCCCCCCC(=O)O)[nH]c2c1 13764981 JGKQCWNXJDBDJO-UHFFFAOYSA-N 330.388 2.217 0 1 EEAF CS(=O)(=O)c1ccc(C2=C(c3ccccc3O)C(=O)OC2)cc1 13818523 XPAQFDRHHIPYCT-UHFFFAOYSA-N 330.361 2.263 0 1 EEAF N=c1nc(N2CCC(N3CC[C@H](c4ccc(Cl)cc4)C3)CC2)[nH][nH]1 1857609559 LGBZJJUMJJPTBP-ZDUSSCGKSA-N 346.866 2.329 0 1 EEAF COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 3907530 GUIRKQFWPGOAKG-UHFFFAOYSA-N 346.408 2.405 0 3 EEAF CCN(CC)CCNC(=O)Cc1c(C(=O)O)n(CC)c2ccccc12 4057657 TUTINVCTLGWLND-UHFFFAOYSA-N 345.443 2.360 0 3 EEAF O=C(N[C@@H]1CCCc2ccccc21)c1cc(CN2CCOCC2)on1 20995761 ZWYHFEFKWNXFBW-QGZVFWFLSA-N 341.411 2.314 0 1 EEAF Cc1nc(C(=O)N2CCOCC2)cc(-c2ccc(F)cc2F)c1CN 66113201 JGTXNWPJDYHLGC-UHFFFAOYSA-N 347.365 2.266 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CN2CCOCC2)N1 587772456 HPOQQEZGFNDVIC-BONVTDFDSA-N 343.240 2.496 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1cncn1)(C1(Cl)CC1)O2 587376213 QPHZQPXNCGEUET-INIZCTEOSA-N 332.791 2.344 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nn2)N1 587761746 VMMTWNNBBAYZSH-WPPNPWJKSA-N 325.185 2.340 0 1 EEAF CC(=O)c1ccc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2c1 587142162 LPGFEQZCYTUPQR-UHFFFAOYSA-N 333.344 2.219 0 1 EEAF CCOC(=O)CCOCCCOCCc1nc2ccc(O)cc2[nH]1 587567179 FSPNPCGFUYFCAL-UHFFFAOYSA-N 336.388 2.188 0 1 EEAF N[C@@]1(c2nc3c(S)nc(S)nc3[nH]2)C[C@@H]1c1ccccc1F 587154432 NXILQWIJWMXOAD-UOWDBTKRSA-N 333.417 2.411 0 1 EEAF O[C@H](COc1ccc(CN2CCCCO2)cc1)CN1CCCCC1 13596456 DSVQCOMOROLUIM-SFHVURJKSA-N 334.460 2.440 0 3 EEAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)cc1 169294928 USPKYYZDABFFSZ-PMXAPFLYSA-N 342.782 2.038 0 1 EEAF O=C(O)c1cc(=O)c2ccc3c(c2[nH]1)-c1ccccc1S3(=O)=O 169319934 FGPPURXSJYZAER-UHFFFAOYSA-N 327.317 2.040 0 1 EEAF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@H](O)c1ccc(O)cc1 2356390224 UNGLKYLAUBUKBF-DOPJRALCSA-N 342.347 2.186 0 1 EEAF O=C(CN1C[C@H](c2ccccc2)CC1=O)NCc1ccc(F)cc1 4927317 DJDOIVGMSALLOB-MRXNPFEDSA-N 326.371 2.458 0 3 EEAF aggregator CCOc1ccccc1NS(=O)(=O)c1csc(C(N)=O)c1 6859549 RXESWTKWMKFHAU-UHFFFAOYSA-N 326.399 2.047 0 3 EEAF COc1ccc2c3c1O[C@H]1[C@H](O)C(C)(C)C[C@H]4[C@@H](C2)N(C)CC[C@@]341 27759533 IXRJVYCFCPTYKT-NNOFZCPDSA-N 329.440 2.361 0 1 EEAF CCn1c(=O)c2nc(C34C[C@H]5CC3C[C@@H](C5)C4)[nH]c2n(CC)c1=O 100643566 AGPFTBRVGPRNQR-MRBODRMGSA-N 328.416 2.004 0 1 EEAF CSCC(=O)N1CC[C@@H](SCc2ccc(F)cc2)[C@@H]1C(=O)O 25187449 OPKXHVQHKYMMTN-TZMCWYRMSA-N 343.445 2.476 0 1 EEAF biogenic COc1cccn2nc(CCc3nc(-c4cncs4)c[nH]3)nc12 117856345 RZXOREZNLKLBOV-UHFFFAOYSA-N 326.385 2.370 0 1 EEAF CCC[C@@H]1Sc2nncn2N=C1c1ccc2c(c1)NC(=O)CO2 68079082 NOXYSWMDJQBBKO-LBPRGKRZSA-N 329.385 2.136 0 1 EEAF CCc1cc(NC2CCS(=O)(=O)CC2)nc(N2CCCCC2)n1 65393353 ZPISHOMFMSJBRR-UHFFFAOYSA-N 338.477 2.018 0 1 EEAF CS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(Cl)cc2)cc1 73295802 ZMWBEISUOBDPDI-UHFFFAOYSA-N 334.788 2.386 0 1 EEAF C=C(C)C(=O)O[C@@H]1C[C@H](C)C[C@@]2(O)C=C(C)[C@@H](O2)[C@@H]2OC(=O)C(=C)[C@H]12 15158026 RVJOETCQOOQGPR-NZTPSIRZSA-N 348.395 2.036 0 1 EEAF biogenic COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1C(C)=O 15676456 RGOFTKCLIXBYBH-HNNXBMFYSA-N 347.802 2.031 0 1 EEAF biogenic COC(=O)c1[nH]c2cc3c(cc2c1I)OCO3 1911584155 MPTMGBCAYKQYFL-UHFFFAOYSA-N 345.092 2.288 0 1 EEAF COCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 82142979 APCBCKWMQSDTFQ-UHFFFAOYSA-N 330.388 2.103 0 1 EEAF Cc1cccc(CNc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)c1 82212898 QGHDSMIDTQRGRH-INIZCTEOSA-N 339.443 2.407 0 1 EEAF CCCCC[C@H]1CCCCC[C@H](O)C[C@H](O)[C@@H](O)/C=C/C(=O)O1 95600251 LEEBEEPDVOWSDN-YCLPPDEQSA-N 328.449 2.472 0 3 EEAF c1cnc(NC[C@@H]2CCC[C@@H]3CN(Cc4csnn4)C[C@@H]32)nc1 96249021 VHGLJTDLOXUEOJ-GZBFAFLISA-N 330.461 2.288 0 1 EEAF Fc1cccc(CCNCCNc2ccnc(-n3ccnc3)n2)c1 263621255 YCRYBRYYCUMKOD-UHFFFAOYSA-N 326.379 2.046 0 1 EEAF in-vitro OC12CCC(CC1)N(Cc1ccc(F)cc1)[C@H]2CN1CCOCC1 299851082 DXOONJHOEWMOCZ-XBMUEBEBSA-N 334.435 2.016 0 1 EEAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(N)ncnc2[nH]1 586972019 DBZOFSHCYFPRFK-GFCCVEGCSA-N 342.428 2.046 0 1 EEAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccnc(O)c3[nH]2)c1 586931279 ZSSRAMVAXTVXKB-UHFFFAOYSA-N 346.412 2.361 0 1 EEAF COC(=O)c1ccc(-n2c(O)cc(C)c2O)c(O[C@@H]2CCOC2)c1 587925458 IGBILHKZRFFWHL-GFCCVEGCSA-N 333.340 2.151 0 1 EEAF CN1CCN(c2ccc3nc(-c4cnc(Cl)nc4)[nH]c3c2)CC1 587084645 GCHWALSXXPWLCK-UHFFFAOYSA-N 328.807 2.425 0 1 EEAF C[C@]1(c2ccnc(N)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577547 SOABKFNTJISYHG-DNVCBOLYSA-N 349.346 2.641 0 1 EEAF COCc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)no1 963231502 MTJVOYGGWNOIFY-SJORKVTESA-N 339.351 2.058 0 1 EEAF COc1c(O)c2c(c(O)c1OC)C(=O)[C@H](Cc1ccc(O)cc1)CO2 14758456 PGCPWPPPMWXCMG-SNVBAGLBSA-N 346.335 2.255 0 1 EEAF endogenous,in-man COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(C)c(F)c2)C1 61902793 WXMXOZXVLVGMME-GOSISDBHSA-N 336.407 2.139 0 3 EEAF CC=C1CN2[C@H]3C[C@]45c6ccccc6N[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)OC 2356495697 BDXYPHKGNUGUFG-KFTOLIADSA-N 338.407 2.246 0 1 EEAF Cn1c(CN2C[C@@H](O)C[C@H]2c2nc(C3CC3)no2)nc2ccccc21 2356821703 GDURQXWPPDXXRN-WFASDCNBSA-N 339.399 2.142 0 1 EEAF Brc1cc(N2CC[C@H]3CN[C@H]3C2)cnc1Br 35080250 VBSTVVDALUYNRL-XVKPBYJWSA-N 347.054 2.405 0 1 EEAF OCc1cc(-c2c[nH]c3ncnc(N4CCOCC4)c23)ccc1F 210727088 BZLDSVLRJULHNF-UHFFFAOYSA-N 328.347 2.093 0 1 EEAF CN(Cc1ccccc1)C(=O)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1 73157146 OALUAJKYONQDDJ-HDICACEKSA-N 336.439 2.009 0 1 EEAF O=C(O)N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 222803114 CFNWARLITZSZQR-UHFFFAOYSA-N 332.809 2.008 0 1 EEAF in-vitro COc1cc(OC)cc(C2=C(c3c[nH]c4ncccc34)C(=O)NC2=O)c1 95572211 XWKUQHNIYPALRV-UHFFFAOYSA-N 349.346 2.147 0 1 EEAF O=C(N[C@@H]1CCCCc2ccccc21)[C@H]1NNC(=O)[C@@H]2CCCC[C@H]12 618012999 LJRGOHFGAVBMST-MLHJIOFPSA-N 341.455 2.380 0 1 EEAF Cc1cc2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c(C)n1 586960519 ZBIUTZQNVWKXEZ-INIZCTEOSA-N 346.412 2.044 0 1 EEAF N=c1[nH]c2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)nc-2c(Cl)[nH]1 587175065 PFBYBYOOGMJBLO-SECBINFHSA-N 345.769 2.233 0 1 EEAF CC1CCC(NS(=O)(=O)Cc2nc3c(Cl)ncnc3[nH]2)CC1 586952758 KVRNRDBIIRFDJT-UHFFFAOYSA-N 343.840 2.004 0 1 EEAF Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2C[C@@H]1CCNC1 1772650355 DAIRRUAQSVPBCD-SNVBAGLBSA-N 344.806 2.464 0 1 EEAF COc1cc2c3c(c1O)[C@@]1(CCC(=O)[C@@H](OC)C1)C[C@@H]3N(C)CC2 14687755 URYIHIIOFWGCIU-ODYMNIRHSA-N 331.412 2.339 0 1 EEAF Cc1ccc(CNC(=O)Cn2ncc3c(=O)oc4ccccc4c32)o1 429332 HKFQFSFJMWFXMR-UHFFFAOYSA-N 337.335 2.361 0 1 EEAF O[C@H](CNc1ccccc1Cl)Cn1nnnc1-c1ccccc1 6822754 MQBQTIZSQATXHI-CYBMUJFWSA-N 329.791 2.467 0 1 EEAF C[C@@H]1CCc2nn(CC(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)cc2C1 20415909 NHCFTVMVXOEOLS-BRWVUGGUSA-N 346.519 2.492 0 1 EEAF C[C@]12CC[C@@H]3NC(=O)C=C3[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@](O)(CO)C3 2356463758 LGVJHWQZLCCTPA-KXOMVGNFSA-N 331.456 2.151 0 1 EEAF C[C@@H]1Oc2cccc(O)c2[C@@H](O)[C@H](C)Oc2cccc(O)c2[C@@H]1O 2356472747 HTVPTLVEDCCJOB-LXQUVBGXSA-N 332.352 2.413 0 1 EEAF COc1cccc2c1C=C([N+](=O)[O-])[C@H]1C2=C2OCOC2=C[C@@H]1C(=O)O 28115042 XFZJGZRXKHUYSB-HZMBPMFUSA-N 343.291 2.256 0 1 EEAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CCCCC(=O)O 2356595209 XHHYJZGDOMKLEE-DMRKSPOLSA-N 328.449 2.487 0 1 EEAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1coc2ccc(C)cc2c1=O 34577711 XOCIJIFBUSBYKG-HNNXBMFYSA-N 342.351 2.292 0 1 EEAF COc1ccc(C2=NO[C@H](c3noc(CCC(=O)O)n3)C2)cc1F 43080255 JSNHKQSIZKMVAU-LBPRGKRZSA-N 335.291 2.100 0 1 EEAF COc1cc2c(c(OC)c1OC)[C@@H](O)O[C@H]1CC=C3CCN(C)[C@@H]3[C@@H]21 95884422 MNAREALDHXFRFJ-HAHWVIBASA-N 347.411 2.220 0 1 EEAF Cn1nc(CC(=O)Nc2ccc3ocnc3c2)c2ccccc2c1=O 95597027 ZPQKLIJMZOEFEF-UHFFFAOYSA-N 334.335 2.256 0 1 EEAF c1cc(CO[C@H]2CC[C@H]3[C@@H]2OCCN3Cc2nccs2)ccn1 299843198 OECHILCBNUORAD-ZOBUZTSGSA-N 331.441 2.487 0 1 EEAF O=C(O)CC1=C(c2ccccc2)Cc2cc3c(O)nc(O)nc3nc21 587560158 CSEOWYZDQARZGR-UHFFFAOYSA-N 335.319 2.378 0 1 EEAF N[C@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@@H]1c1ccccc1F 587155450 YWBDFFVPPNICTG-SJKOYZFVSA-N 335.346 2.019 0 1 EEAF O=C(O)c1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651650 CBLDBGHUBVGSBY-UHFFFAOYSA-N 328.711 2.437 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)N(C)C)N1 587743152 VYPQKGJWAXIQJE-RMLUDKJBSA-N 329.213 2.426 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1nccc(C)n1)O2 587389120 IPMSXHXLWMEQAF-GOSISDBHSA-N 340.383 2.428 0 1 EEAF COC(=O)[C@@H]1C[C@]2(CCN1)CC(=O)c1ccc3c(c1O2)CCCC3 587525193 TVIXIFKSSQQVLP-HNAYVOBHSA-N 329.396 2.194 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(c1cnn(C)c1C(C)=O)[C@@H](C2)C3=O 587432483 PHMCDANAZBTTGH-SGTLLEGYSA-N 326.352 2.294 0 1 EEAF CCO[C@@H]1C[C@]2(NCCc3c2c(C(C)C)nn3C)[C@H]1n1cccn1 962903354 AGAZWIBLKRXDIM-FHLIZLRMSA-N 329.448 2.131 0 1 EEAF COc1ccc([C@@H]2Oc3cc(O)c(OC)c(O)c3C(=O)[C@H]2OC)cc1 103188265 IOJDFBLITNGTRH-FUHWJXTLSA-N 346.335 2.446 0 1 EEAF CNC(=O)c1cn(C)c2c1CCc1cnc(NC3CCCC3)nc1-2 64513472 BHIZLKHDUFXUSQ-UHFFFAOYSA-N 325.416 2.295 0 1 EEAF COc1ccc(CN[C@@H]2[C@H](c3ccc(OC)cc3)C[C@H](O)[C@H]2O)cc1 2356287671 NKHLXKKTMONSTK-VNTMZGSJSA-N 343.423 2.071 0 1 EEAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@H]1CCCCC(=O)O 71758158 XHHYJZGDOMKLEE-HKTSXOKBSA-N 328.449 2.487 0 1 EEAF in-man CC(=O)OCC1=C2CCC=CC[C@H](OC(C)=O)C(C)=C[C@H]2OC1=O 2356529272 ZTLGDKVCFHURRE-DLBZAZTESA-N 334.368 2.390 0 1 EEAF O=C(CN1CCC(c2cccc[n+]2[O-])CC1)Nc1ccc(F)cc1F 35075425 AZWFLBHOULILFW-UHFFFAOYSA-N 347.365 2.416 0 1 EEAF CCCCC[C@@H](O)CCCN(CCCCC(=O)O)S(C)(=O)=O 43076442 VRTKPBQFJXUKIN-CQSZACIVSA-N 337.482 2.224 0 1 EEAF Oc1ccc(CC[C@H]2C[C@@H](O)[C@@H](O)[C@@H](c3ccc(O)cc3)O2)cc1 40829555 RBJGEWFAPDFFEA-WJFTUGDTSA-N 330.380 2.282 0 1 EEAF biogenic,in-vitro CC(C)(C)NC(=O)[C@H]1c2ccccc2OCC(=O)N1CC(F)(F)F 199208080 LUTAUXOWJCSBGG-CYBMUJFWSA-N 344.333 2.426 0 3 EEAF COc1ccc(-c2csc(N)c2C(=O)N2CCOCC2)cc1OC 144051582 GMQDXCYJGRIXJX-UHFFFAOYSA-N 348.424 2.487 0 1 EEAF COc1cc2c(cc1OCCCCO[N+](=O)[O-])CO[C@H](C)C2=O 95560333 LEHLCNLCCCSHFI-SNVBAGLBSA-N 325.317 2.164 0 1 EEAF Cc1cccc(NC(=O)c2nn(C)c(OC3CCN(C)CC3)c2C)n1 95603178 XLOUXGXWUJWGBI-UHFFFAOYSA-N 343.431 2.157 0 1 EEAF O=C1CC[C@@H](C(=O)N2CCc3sccc3[C@H]2c2cccs2)NN1 618013331 SRAZJYGJZZXXAK-NHYWBVRUSA-N 347.465 2.067 0 1 EEAF CC(C)(C)C(=O)NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1 653810892 NEXLDSNRHZPQHH-UHFFFAOYSA-N 338.351 2.036 0 1 EEAF COc1c(C)cc(O)n1-c1cc(C(=O)O)ncc1Br 587939340 BVDCZXXNTICYQE-UHFFFAOYSA-N 327.134 2.356 0 1 EEAF CC(C)(C)O[C@@H]1C[C@]2(N[C@H]3Cc4c2ccnc4C3=O)[C@H]1n1cccn1 963288560 DLIIPADDWGKVSI-BDEJMISXSA-N 338.411 2.013 0 1 EEAF C[C@@]12CC[C@H]3C[C@]1(C(=O)N1CCN(c4ccccn4)CC1)OC[C@]32C 13152717 TUCNDMSBQIUJQC-JOCLIGHLSA-N 341.455 2.326 0 1 EEAF Nc1ncc2c(n1)CN(c1ccnc(C(=O)Nc3ccccc3)c1)C2 169710076 VLNFLZGZGOQPRU-UHFFFAOYSA-N 332.367 2.226 0 1 EEAF C[C@@H](NC(P(=O)(O)O)P(=O)(O)O)c1cccc2ccccc12 13643244 MGNVIMQLZSTUGX-SECBINFHSA-N 345.228 2.129 0 1 EEAF C[C@H](OC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)C(=O)Nc1ccc(C(N)=O)cc1 102373503 INPXQEUQQYHOKP-CTHBEMJXSA-N 344.411 2.482 0 1 EEAF C/C=C1/CN2C(=O)[C@]3(c4ccccc4NOC)C[C@H]2[C@@H]2CO[C@H]3C[C@H]12 103581052 GYLCVLMCDDODNS-RWBNQFFWSA-N 340.423 2.493 0 1 EEAF biogenic,in-vitro O=c1[nH]c2ccccc2n(NC(=S)Nc2cccc(Cl)c2)c1=O 26579060 CVGWQWQADXFLCQ-UHFFFAOYSA-N 346.799 2.284 0 1 EEAF CCC[C@H](O)c1cn(C[C@@H]2Cc3c([nH]c4ccccc34)CN2)nn1 64527135 CIVKNWCRDYXOAK-SGTLLEGYSA-N 325.416 2.307 0 1 EEAF O=C(NCc1ccccc1Cl)c1csc(COCCO)n1 61908208 JNDFGLRIAGXPGM-UHFFFAOYSA-N 326.805 2.235 0 3 EEAF Cn1cc2c(nc(N)n3nc(-c4ccc(C(F)(F)F)cc4)nc23)n1 72140805 KDGPRHWWBZBOLO-UHFFFAOYSA-N 333.277 2.279 0 1 EEAF CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(O)c1 1911585652 WZROWSGBENWGCI-OAHLLOKOSA-N 349.456 2.062 0 1 EEAF Cc1ncc(F)cc1[C@@H]1CCCN1c1ccn2ncc(C(N)=O)c2n1 139665875 ZOAPGXAKZWJIHN-AWEZNQCLSA-N 340.362 2.012 0 1 EEAF CCOC(=O)C(=O)Nc1nc(-c2ccc(O)c(C(C)=O)c2)cs1 40466773 FPAMDKBOKLFANX-UHFFFAOYSA-N 334.353 2.220 0 1 EEAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]13C[C@](O)(CO)[C@H](C[C@@H]21)C[C@H]3O 238738840 IDEMAPKQEHHDJP-WZSONEJMSA-N 336.472 2.292 0 1 EEAF N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CO[C@@H]1c1cc(F)ccc1Cl 96284063 FUFTZOFPITXZJS-DIOULYMOSA-N 336.798 2.375 0 1 EEAF O=S1(=O)[C@H]2C[C@H]3C=C[C@]2(CN1Cc1ccc(C(F)(F)F)cc1)O3 96904415 CSODECVVEJPHMG-HZSPNIEDSA-N 345.342 2.317 0 1 EEAF COc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@@H]2Oc1cc(C)oc(=O)c1 31168558 SNJTUAZUAHBUTI-GLEZIHRCSA-N 348.307 2.047 0 1 EEAF biogenic CC(=O)N1CC[C@H]2[C@@H](C[C@@H](CN3CCCC3)N2c2nccs2)C1 299842381 OEPLYPKDRHBNJN-JYJNAYRXSA-N 334.489 2.055 0 1 EEAF CCCCS(=O)(=O)N[C@H](c1nc2c(Cl)ncnc2[nH]1)C(C)C 586932869 KINFLGIISHUHJM-VIFPVBQESA-N 345.856 2.423 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C)C[C@@H]1CCO)CC2=O 587482079 ZAOHPOPPUWRUJR-DJJJIMSYSA-N 333.428 2.383 0 1 EEAF CCn1cc(Br)c(Cc2nc3cc(N)c(N)cc3[nH]2)n1 587001539 ZXCXCJPDRCIOSC-UHFFFAOYSA-N 335.209 2.297 0 1 EEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cnc3ccccc3c2[nH]1 587202308 CJAVMXLPMJHLRS-ZDUSSCGKSA-N 339.399 2.190 0 1 EEAF COC(=O)C[C@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962699309 INTPUSJVFQOOTA-RISCZKNCSA-N 349.280 2.222 0 1 EEAF COc1cc(Nc2ncccc2S(N)(=O)=O)cc(C(F)(F)F)c1 1772580436 HLIIDRWTLSMRMT-UHFFFAOYSA-N 347.318 2.500 0 1 EEAF Cc1n[nH]cc1-c1nc2cnccc2c(=NC(C)(C)CCN(C)C)[nH]1 1857575321 FLUJLTLGAQCKOU-UHFFFAOYSA-N 339.447 2.287 0 1 EEAF O=C(NC[C@@H]1CCCO1)[C@H]1CCC(=O)N1Cc1ccccc1Cl 220931 LYXFRQBJISNWGP-DZGCQCFKSA-N 336.819 2.126 0 3 EEAF COc1ccc(CN[C@@H]2[C@H](c3ccc(OC)cc3)C[C@@H](O)[C@@H]2O)cc1 2356287670 NKHLXKKTMONSTK-NMLBUPMWSA-N 343.423 2.071 0 1 EEAF CCCCN1C[C@H](COCc2ccccc2)OCCS1(=O)=O 61931201 GTODYROAKWNTGM-MRXNPFEDSA-N 327.446 2.034 0 3 EEAF CC(C)=CCN1C[C@@H](C(=O)O)C[C@H](C(=O)Nc2ccc(C)nc2)C1 71749306 RLRPWUZPYVBYNS-GJZGRUSLSA-N 331.416 2.317 0 1 EEAF CCCCN1CCN(C(=O)c2cc(=O)c3c(O)cccc3o2)CC1 28638988 HASQKMISHCUPDA-UHFFFAOYSA-N 330.384 2.057 0 1 EEAF CC=C(CO)c1cc2n(c(=O)c1CO)CCc1c-2[nH]c2ccccc12 2356641134 FIELJMSNCWUFSW-UHFFFAOYSA-N 336.391 2.441 0 1 EEAF CC(C)(C)CCN[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cnc3ccccc32)[C@H]1O 2356678876 WKAYACFEBOATIJ-ZBRFXRBCSA-N 345.443 2.088 0 1 EEAF COC(=O)CNC(=O)c1ccc([C@](C)(O)CCCC(C)C)c(O)c1 2356815017 CNNMORSDNGMLJJ-GOSISDBHSA-N 337.416 2.329 0 1 EEAF CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2)CC1 61904218 MZGKCAQYFRKGDU-CYBMUJFWSA-N 334.416 2.082 0 3 EEAF CCCC[C@]1(O)C2=C3[C@@H](CC[C@@H]3N(C(C)=O)C(NC(C)=O)=N2)C[C@@H]1C 36440258 GNCKPMVCKHRKOC-MBIOBJJBSA-N 347.459 2.334 0 1 EEAF O=S(=O)(c1ccccc1)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C1 74379314 WGCLYCBATHNUSO-JKSUJKDBSA-N 346.383 2.249 0 3 EEAF CN1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2Cl)N(C)C1=O 43199818 INOUFPKRGMZKSK-JTQLQIEISA-N 349.740 2.341 0 1 EEAF COC(=O)c1cc2c(cn1)CCCN1CCC3=CC[C@@H](OC)C[C@]321 14440147 OHBQZXBAGISRFS-BEFAXECRSA-N 328.412 2.451 0 1 EEAF biogenic CO[C@]1(C)CCCN(S(=O)(=O)c2ccc(C(C)(C)O)cc2)CC1 43071211 HUYFCLIOUPPGDS-QGZVFWFLSA-N 341.473 2.494 0 1 EEAF Cn1cc(C2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)nn1 43014225 RQDRWTLKQRNDSG-JKSUJKDBSA-N 325.416 2.260 0 1 EEAF C[C@H]1Oc2ccc(Br)cc2C=C1/C=C1\NC(=O)NC1=O 95598433 FUGAJYXFIGQVRL-KLDHPSGWSA-N 335.157 2.337 0 1 EEAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(N)nccc3[nH]2)cc1 586950204 CDMSVAIHVFQSTQ-UHFFFAOYSA-N 331.401 2.357 0 1 EEAF Cn1ccnc1COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587556729 DCXOQJUBHCGELU-UHFFFAOYSA-N 349.350 2.416 0 1 EEAF O=C(NC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CC1 587572723 QJAISIFREINZNL-CVEARBPZSA-N 339.347 2.249 0 1 EEAF CC[C@@]1(Cn2cncn2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962617961 BDTYNFPUEFILTH-SCLBCKFNSA-N 330.432 2.477 0 1 EEAF C[C@]1(c2cc(CC(=O)O)cs2)NCCc2c(C(=O)O)cccc21 963131771 OKEKWNTZSKMGMN-KRWDZBQOSA-N 331.393 2.483 0 1 EEAF COc1cccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 15941805 YDCINRXCXAHABD-UHFFFAOYSA-N 348.380 2.135 0 3 EEAF N=C(N)Nc1cccc(C(=O)Nc2ccc([C@H]3C[C@H]3C(=O)O)cc2)c1 3827926 FOYRFLMZVXPASD-HUUCEWRRSA-N 338.367 2.432 0 1 EEAF O=C(O)C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCCCCO)O1 6863598 GXKIHCANXYMZKT-BLLLJJGKSA-N 336.340 2.003 0 3 EEAF COc1cccc(-c2ccc(Nc3cc(=O)n(O)c(=O)n3C)cc2)c1 1857539555 XRZDPBCHSTWHKX-UHFFFAOYSA-N 339.351 2.204 0 1 EEAF CCCCC[C@@H]1CCCCC[C@@H](O)C[C@@H](O)[C@@H](O)C=CC(=O)O1 1857742205 LEEBEEPDVOWSDN-WCXIOVBPSA-N 328.449 2.472 0 1 EEAF C[C@@H]1CC=C(Nc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 101195354 GBBDGJWBUUZRLU-SECBINFHSA-N 341.323 2.057 0 1 EEAF Cc1cc(C)c(CNC(=O)c2ccnc3c2cnn3C(C)C)c(=O)[nH]1 116871681 GQEAQQLZXOTRPN-UHFFFAOYSA-N 339.399 2.247 0 1 EEAF CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cccnc1)[C@@H](O)C(C)(C)O2 26731762 DVTDRMLUZGAGDK-DLBZAZTESA-N 340.379 2.287 0 1 EEAF CN(C(=O)n1c(=O)[nH]c2ccccc21)C1C[C@@H]2CCC[C@H](C1)N2C 26187380 IQARRFVNDVOHGQ-PBWFPOADSA-N 328.416 2.245 0 1 EEAF Cn1nnc2c3c(ccc21)c(=O)c(C(=O)O)cn3CCc1ccccc1 28704661 GTHUPPJOCSIGER-UHFFFAOYSA-N 348.362 2.224 0 1 EEAF O=C(NCC1CC1)[C@@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61908918 NMPQYRIZEHNLGJ-KRWDZBQOSA-N 338.363 2.307 0 3 EEAF O=C1C(=O)N2CCc3ccccc3[C@@H]2CN1C(=O)C1CCCCC1 73219090 IJZSZOHGAWSVMS-INIZCTEOSA-N 326.396 2.062 0 1 EEAF O=C1C[C@H](OCc2cc(/C=C/c3ccccc3)no2)[C@H]2CO[C@@H]1O2 1911571312 HBATWBADVLGXIU-FRQXZCBTSA-N 327.336 2.445 0 1 EEAF CC(=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 45302433 RACBUOZLJZGKQG-QHOXJNEGSA-N 348.483 2.457 0 1 EEAF CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2c(C)nn(C)c2C)s1 199940866 IBXDDHVQWGIIRF-UHFFFAOYSA-N 342.446 2.166 0 1 EEAF N=C(NCCCc1c[nH]cn1)NC(=O)CCCCc1ccccc1 45497306 CSAKAHRWRJLYBQ-UHFFFAOYSA-N 327.432 2.396 0 1 EEAF Cc1ccc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCO3)C2)s1 96064881 CFTLJELWHKQJDA-NVXWUHKLSA-N 336.457 2.201 0 1 EEAF NC(=O)c1ccc(COCc2conc2-c2ccc(F)cn2)nc1 142713192 RGWOFMLSFLEIGO-UHFFFAOYSA-N 328.303 2.086 0 1 EEAF CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)/C=C\c3ccccc3)C[C@H]1N2C 253639194 QKTXQEDBXGTOFH-SWLNDVCHSA-N 329.396 2.410 0 1 EEAF O=C([C@@H]1CC=C[C@H]2CN(OCc3ccccc3)C(=O)[C@@H]21)N1CCCC1 653880698 YIZUPNFYWZJTQB-KSZLIROESA-N 340.423 2.391 0 1 EEAF Oc1nc(O)c2cc(CC3OCCCO3)c(-c3ccccc3)nc2n1 587563287 QVQXYIFWRCEVPD-UHFFFAOYSA-N 339.351 2.409 0 1 EEAF CN(CCO)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570149 ICMDEHGPJMNICV-VQIMIIECSA-N 343.379 2.037 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CCS(C)(=O)=O 587870249 ZGPTYRFQIOFNIX-UHFFFAOYSA-N 349.334 2.017 0 1 EEAF CCc1cc(O)nc(SCc2nc3ccc(C(=O)OC)nc3[nH]2)n1 586966576 JHISQJVOQJNFPU-UHFFFAOYSA-N 345.384 2.095 0 1 EEAF COC(=O)c1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cn1 587156409 NCRFFGJJZQMPJX-BTDLBPIBSA-N 326.331 2.225 0 1 EEAF CCOC(=O)[C@@H]1[C@@H]2CC[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@H]21 587439964 FAIYYFQMRJKVTO-GDSWUNAOSA-N 328.364 2.401 0 1 EEAF COc1cc2c3c(c1)O[C@]1([C@@H]4[C@@H]5C(=O)[C@H]6[C@@H]7C[C@@H]([C@@H]4[C@H]75)[C@H]61)[C@@H](C2)C3=O 587446979 JHPDOUQWYHKSFC-SPDPIPEXSA-N 334.371 2.138 0 1 EEAF COc1ccc([C@@]2(C)c3ccsc3CCN2C(N)=O)nc1OC 962703649 DQJVYYQOIVFAKV-MRXNPFEDSA-N 333.413 2.361 0 1 EEAF O=C1N=c2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc2=N1 1772606189 UAZJCRMACKXKGY-APWZRJJASA-N 345.402 2.394 0 1 EEAF CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccccc3F)cc21 13603231 OHRWOMMLROOHGR-UHFFFAOYSA-N 329.375 2.345 0 1 EEAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3NC[C@@H]2O)OCO4 14612204 FQGXOUZHUXOCIV-OLZOCXBDSA-N 341.363 2.333 0 1 EEAF endogenous,in-man Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC[C@H]2CCCO2)cc1 1379561 XCOFVRJXVFNOJM-HZPDHXFCSA-N 331.416 2.287 0 3 EEAF O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(c1ccccn1)C2 3955754 YLKFQKPLNMHTFX-UHFFFAOYSA-N 343.452 2.373 0 1 EEAF Cc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccccn1 263216 HHHLBMKWWUCMPQ-UHFFFAOYSA-N 332.425 2.011 0 3 EEAF COC(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCC1CCCC1 1535584 VQMRADFEBRISCI-CQSZACIVSA-N 325.405 2.054 0 1 EEAF O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc5ccccc45)n3)CO[C@@H]12 2356387997 NGIXILPOHDFBIV-MANSERQUSA-N 349.390 2.236 0 1 EEAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC(=O)[C@@H]1[C@@H]3C[C@@H](C[C@H]12)OC3=O 100778549 FJCWYLRNGKSUCH-AAXDRMLGSA-N 344.363 2.431 0 1 EEAF endogenous,in-man COc1ccc(-c2nc3cc[nH]cc-3n2)c(OCC[S@](C)=O)c1 100971126 OKTSOQQZRIPSMB-HSZRJFAPSA-N 331.397 2.342 0 1 EEAF CCCC[C@@H](Nc1cc(NC(=O)OCC)nc(N)c1N)[C@@H](C)O 27199928 CTOKUTKEJKJNFE-NXEZZACHSA-N 325.413 2.166 0 1 EEAF CO[C@@H]1C=C[C@](C)(O)CCC(=O)O[C@H](C)[C@H](C)C[C@@H](O)C=C1C 2356466018 OQBWAWZWLOIZFL-YGSJXBCNSA-N 326.433 2.368 0 1 EEAF CC1(C)Oc2c(C=O)cc3c([nH]c4cc(O)ccc43)c2[C@H](O)[C@H]1O 13399206 NKDKVISDCZDDBO-DOTOQJQBSA-N 327.336 2.405 0 1 EEAF biogenic CCC(CC)(CNC(=O)[C@@H]1CCC(=O)NN1)c1ccc(Cl)cc1 618012336 BSFYAHOBINRRPI-AWEZNQCLSA-N 337.851 2.297 0 1 EEAF O=c1c2cc(O)ccc2nc2n1CCCN2CCCN1CCCCC1 299828436 JJIZWEOYBMMOFI-UHFFFAOYSA-N 342.443 2.188 0 1 EEAF CCOC(=O)[C@H](C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(C)=O 587443090 TWBNYVXNHCOOTQ-LPMFXHHGSA-N 346.379 2.360 0 1 EEAF COc1cccc(-n2cc(-c3ccc4c(O)nc(O)nc4n3)cn2)c1 587556708 DAAJUVHCWJNRTK-UHFFFAOYSA-N 335.323 2.297 0 1 EEAF O=C(NCCc1nc2nc(Cl)c[nH]c-2n1)OCc1ccccc1 587228117 ISAPROKKYUPVRO-UHFFFAOYSA-N 331.763 2.427 0 1 EEAF CC(=O)N(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 205766434 WVFAPFDFOZWRQY-UHFFFAOYSA-N 333.355 2.399 0 1 EEAF Cc1cc(N2CCNCC2)n2nc(SCc3ccccc3)nc2n1 1772614800 QRXVRSQEGODRCB-UHFFFAOYSA-N 340.456 2.135 0 1 EEAF CC(=O)c1cc([C@H](O)[C@@H](O)C(C)(C)O)c2oc(C(C)(C)O)cc2c1 13306509 QUZPTVPAUHASLU-GOEBONIOSA-N 336.384 2.028 0 1 EEAF biogenic C/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(OCc2ccccn2)c1 13558174 UKYBKKOFPSUPFF-MDWZMJQESA-N 339.351 2.207 0 1 EEAF CCNS(=O)(=O)c1ccc(NC(=S)NC2CCCC2)cc1 13937846 PKBJUCXFNYUAAG-UHFFFAOYSA-N 327.475 2.214 0 1 EEAF CC1=CN2C(=NC(=O)C[C@@]2(C)C(=O)NCc2ccc(F)cc2)C=C1 220730 GEIJNPUNUNBAPI-SFHVURJKSA-N 327.359 2.305 0 1 EEAF O=c1cc(N2CCc3ccccc32)[nH]c(=O)n1Cc1ccc(F)cc1 252368 AGBZJWQTKDBXCI-UHFFFAOYSA-N 337.354 2.418 0 3 EEAF O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)s1 101463974 FZOUDNFZZSJJBC-WUXMJOGZSA-N 342.401 2.431 0 1 EEAF CCOC(=O)N1CCN(c2[nH]cnc3c4cc(F)ccc4nc2-3)CC1 101930109 UGPDILCTUXQXNZ-UHFFFAOYSA-N 343.362 2.480 0 1 EEAF CCCn1cc(C(=O)O)c(=O)c2ccc(N3C[C@H](C)N[C@H](C)C3)cc21 103286541 QBESLSOIJXVULU-BETUJISGSA-N 343.427 2.296 0 1 EEAF CSCC[C@@H](NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2)C(=O)O 64633930 ZMEXGNFMQHLDST-LSVCTKACSA-N 349.408 2.307 0 1 EEAF C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1 115998330 FJHKZEVPGYADEG-XYPHTWIQSA-N 327.428 2.410 0 1 EEAF CN1CCN(Cc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)c2)CC1 26492683 JBHCTBKEANVJGQ-UHFFFAOYSA-N 349.438 2.076 0 1 EEAF C[C@@H]1OC[C@@H]2[C@H]3CC(=O)[C@@]4(CCN(C)C[C@H]13)c1ccccc1N[C@H]24 2356865084 WJNDCLTZZJQWQW-SOUBZWKWSA-N 326.440 2.294 0 1 EEAF COCCNC(=O)[C@H]1CN(C(=O)c2ccccc2)CC12CCCCC2 65266062 MQBMZWRYEHSCQF-QGZVFWFLSA-N 344.455 2.472 0 1 EEAF COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)O[C@H](C)C=C2 39316050 YXVYIKAJJZFIQN-SECBINFHSA-N 328.372 2.043 0 1 EEAF NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Cl)c1 45285830 XYVXWJDWSLYIMU-UHFFFAOYSA-N 330.818 2.230 0 1 EEAF CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H](C)CN2 82212402 LYSZHKSBOYSXIS-LBPRGKRZSA-N 348.447 2.315 0 1 EEAF Nc1cnc(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2)cn1 224773836 WHOMLVODCSTXSH-UHFFFAOYSA-N 326.381 2.040 0 1 EEAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(N)=O)cs1 82073224 NQDOEIORUKRACL-ZDUSSCGKSA-N 345.424 2.299 0 1 EEAF CC(C)CN1CCN(Cc2cccc3nccnc23)C[C@H]1CCO 261155221 PSVZCRAAAHBJED-QGZVFWFLSA-N 328.460 2.154 0 3 EEAF CN(C)C[C@H]1C[C@H]2CN(C(=O)c3ccoc3)CC[C@@H]2N1CC1CC1 299843153 NJPWRTPYLQOADA-KSZLIROESA-N 331.460 2.156 0 1 EEAF O=C1C[C@]2(CCN1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587594070 KDCAOYJKBUCSRB-YJBOKZPZSA-N 325.320 2.003 0 1 EEAF COC(=O)c1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cn1 587022113 UKSKWSQVOQXRHY-UHFFFAOYSA-N 340.368 2.269 0 1 EEAF Cc1c(O)ccc2c1[C@@](C)(c1cc(F)ccc1N)N[C@H](C(=O)O)C2 963506796 GBFORXVYXWSPPV-KBXCAEBGSA-N 330.359 2.284 0 1 EEAF CCCCC[C@@H]1CCCCC[C@@H](O)C[C@@H](O)[C@H](O)C=CC(=O)O1 1857742238 LEEBEEPDVOWSDN-QBPKDAKJSA-N 328.449 2.472 0 1 EEAF O=C(O)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C[C@]23C=C[C@H]1O3 6576873 LAAHNNVDJMNWOR-RTWAVKEYSA-N 339.269 2.076 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@@H]1[C@@H]3C[C@@H](C[C@H]12)OC3=O 100780911 QEANLIISUSNNDX-OJPAVSFLSA-N 344.363 2.383 0 1 EEAF endogenous,in-man CN1CCN(Cc2ccc(Cl)c(Cl)c2)[C@@H](C2=NCCN2)C1 58498278 CCWIMIXGTMUXSJ-CQSZACIVSA-N 327.259 2.111 0 1 EEAF CCOC(=O)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@H](O)C2 2356430733 PIUQFMJYOHEDCV-GDBMZVCRSA-N 346.335 2.017 0 1 EEAF C[C@@H]1C[C@@H]2[C@H](CC[C@](C)(O)C=C3[C@H](O)[C@H](C)C[C@@]3(O)C1=O)C2(C)C 2356513430 ZFDMXNDICCVTAD-HVLJCONFSA-N 336.472 2.457 0 1 EEAF CN1C(=O)[C@@H]2C[C@@H]3c4ccccc4N[C@@H]3N2C(=O)[C@H]1Cc1ccccc1 2356599734 KHODBKYKNABWPA-OQIJWPOYSA-N 347.418 2.206 0 1 EEAF COc1cc(C[C@@H](CO)[C@H](CO)Cc2cccc(O)c2)ccc1O 39049663 LZBPBRPTQHVCTB-HOTGVXAUSA-N 332.396 2.109 0 1 EEAF biogenic,in-vitro CC(=O)NCc1ccc2c(c1)[nH]c(=O)n2-c1cc(Cl)c(O)cc1O 72107465 LVPUGZIMDJSRFH-UHFFFAOYSA-N 347.758 2.020 0 1 EEAF Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCc2ccccc21 49539850 DCQKRYGEPWLIPY-MDZDMXLPSA-N 333.413 2.267 0 3 EEAF aggregator Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cn[nH]c4)ncc23)ccn1 261101665 GLIYRGCGWYCJIA-UHFFFAOYSA-N 348.370 2.373 0 1 EEAF CC(C)N(C)C(=O)n1cnc(S(=O)(=O)c2ccc(Cl)cc2)n1 473096080 YEBKHMQOORTECZ-UHFFFAOYSA-N 342.808 2.073 0 1 EEAF COC(=O)c1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1OC 586893274 VCFLQRQQGVEPTH-AWEZNQCLSA-N 328.324 2.145 0 1 EEAF COC(=O)c1ccnc2[nH]c([C@@H]3CSCN3C(=O)C(C)(C)C)nc12 587042566 MIIXQFHYFZYPRZ-JTQLQIEISA-N 348.428 2.365 0 1 EEAF CN1CCN(c2ccc3nc(-c4cc(N)c(N)cc4F)[nH]c3c2)CC1 587136113 BQZFSCAVGWTUOA-UHFFFAOYSA-N 340.406 2.285 0 1 EEAF CC(=O)CC(=O)NCCCN=c1c2c([nH]c3ccccc13)CCCC2 1772593396 IKTIICXOCJAHAU-UHFFFAOYSA-N 339.439 2.433 0 1 EEAF Cc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)on1 12718924 KZCUQBIPWGOUAK-CQSZACIVSA-N 345.374 2.177 0 3 EEAF COc1ccc2ccc(=O)oc2c1C[C@@H](O)C(C)(C)OC(C)(C)O 13334709 SWYQEVCUJGDGLN-CQSZACIVSA-N 336.384 2.229 0 1 EEAF biogenic C[C@@H](O)c1nccc(N2CCN(c3ccc4ccccc4n3)CC2)n1 13472162 AZLNUGPLKUIHGA-CQSZACIVSA-N 335.411 2.405 0 1 EEAF CCOC(=O)N1CCN(CCOc2ccc(-n3ccnc3)cc2)CC1 13588741 GGPFRXPJXXCZQB-UHFFFAOYSA-N 344.415 2.025 0 1 EEAF O=C(NC1(C(=O)NC2CCCCC2)CCCCC1)c1ccc(=O)[nH]c1 212653 HNWZHEMCCYTKRQ-UHFFFAOYSA-N 345.443 2.257 0 1 EEAF O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4206705 IWGLQSKXOKYIAH-DZGCQCFKSA-N 334.759 2.133 0 1 EEAF CSCC[C@@H](N)C(=O)NC(Cc1c[nH]c2ccccc12)=C(O)O 100387674 NEIBHIXJKLPJQJ-GFCCVEGCSA-N 335.429 2.192 0 1 EEAF endogenous,in-vitro O=C(NCc1ccccc1F)c1nc(-c2cccs2)[nH]c(=O)c1O 28820298 UQDHFDHSUHECSS-UHFFFAOYSA-N 345.355 2.273 0 1 EEAF CN1[C@H]2CC[C@H]1CC(NC(=O)c1cc(O)cc3c1OC(C)(C)C3)C2 101276479 XDBKBIKMLNHPLX-KBPBESRZSA-N 330.428 2.461 0 1 EEAF CC(C)N(C)c1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1 64512219 PBZNWDCSSPCDNF-OAHLLOKOSA-N 342.443 2.496 0 1 EEAF O=C(Nc1cc(Cl)ccc1OCCCO)c1cnn2cccnc12 113654685 WBSXXUGHGPWRRT-UHFFFAOYSA-N 346.774 2.396 0 1 EEAF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)C)CC(=C)[C@@]1(O)CC=C(C)[C@H]21 15059791 YNPWRXLOAYTDQM-INJPQVFBSA-N 332.396 2.309 0 1 EEAF biogenic COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1[C@H](C2)NC[C@H]3O 13384146 PHYCJVQUJONSNZ-QWHCGFSZSA-N 343.379 2.319 0 1 EEAF biogenic COc1ccc2c(c1)C(=O)[C@@](O)(OC)[C@@](OC)(c1ccccc1)O2 40937390 GGQCEBFQSWDRBR-QZTJIDSGSA-N 330.336 2.105 0 1 EEAF CC(C)(C)c1nsc(NC(=O)[C@@H]2CCCN2C2CCOCC2)n1 147469094 WUUACLHVQQMLSF-LBPRGKRZSA-N 338.477 2.418 0 1 EEAF C[C@]1([C@H](O)CO)CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@H](O)[C@@]3(C)CO)C1 238740298 LPKFXUXEIDWKHQ-FLLFRLODSA-N 338.488 2.252 0 1 EEAF CCC(CC)C(=O)N1CC[C@@H]2NC(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 25410397 VZUFVJUROJTSIT-JKSUJKDBSA-N 343.427 2.457 0 1 EEAF biogenic O=C(O)CN(Cc1ccccc1)Cc1ccc(C(=O)O)c(C(=O)O)c1 473083269 BIYVCUKVVSWMEJ-UHFFFAOYSA-N 343.335 2.170 0 1 EEAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(N)c(N)cc2[nH]1)C(C)C 586933665 VRXCLQUOBPFAEM-CQSZACIVSA-N 339.465 2.144 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@@H](O)[C@@H](C1)N2C 587489330 USOHRPJOUSHZDJ-HHPVRZFTSA-N 331.412 2.276 0 1 EEAF Cc1[nH]c2ccccc2c(=O)c1CCc1ccc2c(O)nc(O)nc2n1 587554840 KLLBKODIKCXELF-UHFFFAOYSA-N 348.362 2.371 0 1 EEAF O=C(CCc1cnc2nc(O)nc(O)c2c1)Cc1ccc(F)cc1 587369216 FNUCWWHNVSQAQS-UHFFFAOYSA-N 327.315 2.320 0 1 EEAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587961889 GZNZSGRBJMGVOD-ZIAGYGMSSA-N 326.444 2.472 0 1 EEAF NC[C@@]1(c2ccccc2Cl)N[C@H](C(=O)O)Cc2cccc(F)c21 962892965 FRYCDYDBAHQRHP-YOEHRIQHSA-N 334.778 2.280 0 1 EEAF CC(C)(C)C(=O)Nc1ncnc2c1cnn2CCN1CCCCC1 208589771 ZRBAZCUVMYLCMU-UHFFFAOYSA-N 330.436 2.297 0 1 EEAF CCCCOc1cccc(CCN(CCOC)CC(=O)N(C)C)c1 1772569854 NAPNDXBVLQYGAD-UHFFFAOYSA-N 336.476 2.445 0 1 EEAF N[C@@H](Cc1cc(Cl)c(O)c(-c2cccc(C(=O)O)c2)c1)C(=O)O 1772640181 AJSKAMNJPBJFGZ-ZDUSSCGKSA-N 335.743 2.365 0 1 EEAF O=S(=O)(Cc1ccc(Br)cc1F)c1ccc(O)nn1 11536178 BFOKKCFOSQXHRI-UHFFFAOYSA-N 347.165 2.058 0 1 EEAF Nc1nc(CCC(=O)N2CCO[C@H](Cc3ccccc3)C2)cs1 12438249 UDCVPADNWNFDFQ-OAHLLOKOSA-N 331.441 2.128 0 1 EEAF COc1cccc(CNC(=O)c2nc3csc(C)c3c(=O)[nH]2)c1 150127382 BUQBGKBPZHVKRF-UHFFFAOYSA-N 329.381 2.232 0 1 EEAF C[C@@H]1Cc2cnc(Nc3ccccc3)nc2-c2c1c(C(N)=O)nn2C 1857656620 MGVIWAJZVGYINA-SNVBAGLBSA-N 334.383 2.379 0 1 EEAF O=C([C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1)N1CCOCC1 234349 YBZANHGUTHNURS-DOTOQJQBSA-N 326.352 2.230 0 1 EEAF Cc1ccc(CNC(=O)c2nc(-c3cccs3)[nH]c(=O)c2O)cc1 28820288 BHSASERQYVVBSX-UHFFFAOYSA-N 341.392 2.442 0 1 EEAF C[C@]12CCC(=O)[C@@](C)(CO)[C@@H]1CC[C@]13C(=O)[C@@H]4[C@@H](C[C@H]21)[C@@]4(C)C3=O 136184348 OSPJXUMTYQEFCO-PXOOCFODSA-N 330.424 2.175 0 1 EEAF NC(=O)c1ccc(N2CC[C@H](c3ccccc3)[C@@H](N)C2)c2cncnc12 143776012 IKXJUVWMYQLUAV-PBHICJAKSA-N 347.422 2.050 0 1 EEAF O=S(=O)(C[C@@H]1NCc2cc(F)ccc21)NCc1ccc(F)cc1 96020253 UZLQGSPQRRCBEF-INIZCTEOSA-N 338.379 2.229 0 3 EEAF CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)CCC1=O 299863870 LTCNJPNMQRAVIH-GFCCVEGCSA-N 342.317 2.249 0 1 EEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(F)cc2[nH]1 586960124 VJVOUFRLRWTQHZ-HNNXBMFYSA-N 335.360 2.171 0 1 EEAF COC(=O)c1ccnc2[nH]c([C@H]3CSCN3C(=O)C(C)(C)C)nc12 587042567 MIIXQFHYFZYPRZ-SNVBAGLBSA-N 348.428 2.365 0 1 EEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CN1CCOCC1 587595553 PAADRMPZUHCEBO-IAGOWNOFSA-N 341.363 2.055 0 1 EEAF COC(=O)[C@H]1CCc2occc2[C@]12NCCc1c(C(=O)O)cccc12 963154328 WXEGCWAAHOGUOL-BEFAXECRSA-N 341.363 2.103 0 1 EEAF CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1OC[C@H](O)[C@@H]1O 5835253 SXFPESHSABVKRF-AVGNSLFASA-N 346.214 2.414 0 1 EEAF O=C(NC[C@@H]1CCCCO1)c1cc(Cn2cnc3ccccc32)[nH]n1 12431115 UAFXVCKYFNWSAD-AWEZNQCLSA-N 339.399 2.107 0 1 EEAF Cc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2)cc1 28262366 AUWVXMUCEYSGPD-KRWDZBQOSA-N 343.427 2.146 0 1 EEAF O=S(=O)(NCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 1895065 CKQJIDQDQRXNNF-UHFFFAOYSA-N 342.852 2.010 0 1 EEAF CC(=O)OC[C@@H]1O[C@H](c2ccc(C(C)=O)cc2)C=C[C@@H]1OC(C)=O 7992090 BKSSBIOYXWUVQT-BZSNNMDCSA-N 332.352 2.380 0 1 EEAF Cc1ccn2c(O)c(C(=O)NCCC3=CCCCC3)c(=O)nc2c1 100615267 JLEFJEANGQKNAA-UHFFFAOYSA-N 327.384 2.329 0 3 EEAF Cc1ccccc1-c1nc(C(=O)NCCCN2CCN(C)CC2)co1 82074877 JHAPJHHJGNSSOY-UHFFFAOYSA-N 342.443 2.017 0 1 EEAF O=c1[nH]c([C@@H]2CC[C@H]2c2ncco2)nc2c1cnn2C1CCOCC1 145056828 DTCRZGKZSDYJBC-VXGBXAGGSA-N 341.371 2.120 0 1 EEAF C[C@]1(C(=O)NCc2ccccc2)CSCC(=O)N1CC(F)(F)F 95571279 FAXFFTJVLYVEQZ-CQSZACIVSA-N 346.374 2.199 0 3 EEAF COc1cc2c3c(c1O)[C@]1(CCC(=O)[C@@H](OC)C1)C[C@H]3N(C)CC2 238763640 URYIHIIOFWGCIU-XFHNUULXSA-N 331.412 2.339 0 1 EEAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cnnc(O)c2[nH]1 587080266 OGYMMOLNZHPFFS-SNVBAGLBSA-N 328.763 2.436 0 1 EEAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cccc(O)c3[nH]2)cc1 586932025 SNPZSWIRKMSTFU-UHFFFAOYSA-N 347.396 2.098 0 1 EEAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cnnc(O)c2[nH]1 586973904 SCXWJLSZWYSTME-ZDUSSCGKSA-N 343.412 2.169 0 1 EEAF CNc1nccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587581007 UOQRHDNSGPIGCB-YJBOKZPZSA-N 349.346 2.927 0 1 EEAF CNS(=O)(=O)N1CCC(c2nc3ccc(Cl)c(C)c3[nH]2)CC1 586954207 CQMRCQXHYWBYJM-UHFFFAOYSA-N 342.852 2.168 0 1 EEAF NC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 207731052 WINKRSCBRNPWJQ-INIZCTEOSA-N 343.427 2.132 0 1 EEAF Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)n2ccnc2)o1 5983523 PVTNVNQPSUWDOD-UHFFFAOYSA-N 330.365 2.447 0 1 EEAF CNc1nc(Nc2cnn3c2[C@H](C)N(C)CC3)ncc1C(F)(F)F 205959478 GVNQJRHCJXJASY-QMMMGPOBSA-N 341.341 2.484 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45C(=O)[C@H]3[C@H]1C[C@H]2[C@@H]4N(C)c1c(OC)cccc15 2356378098 WCCNKCFWOIBUOQ-RIVRPXERSA-N 336.435 2.373 0 1 EEAF O=C1Nc2ccccc2O[C@H]2C[C@H]1N(Cc1ccc3c(c1)OCO3)C2 2356290821 CCSIQGXPJNCOTA-DZGCQCFKSA-N 338.363 2.389 0 1 EEAF CCN1CCC[C@H]1CNC(=O)c1c(Cl)c(OC)cc(O)c1OC 64447354 URYSFLTUDQDOLY-JTQLQIEISA-N 342.823 2.277 0 1 EEAF CC(=O)OC[C@@]1(CO)OC(=O)c2c(OCc3ccccc3)cccc21 26746188 HHESLRNTZPNJJO-LJQANCHMSA-N 342.347 2.187 0 1 EEAF CN1C[C@H](C(N)=O)C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]21 27442146 BTXXUCVFDKNBPB-AMIZOPFISA-N 346.228 2.285 0 1 EEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@H]1[C@@H]2[C@H]2C=C[C@@]1(O)C(=O)O2 2356533995 FNDYJRBJAVGLKR-QRUNDRTFSA-N 344.363 2.143 0 1 EEAF C[C@@H]1C=C(OC=C2C(=O)O[C@@H]3C4=C(C[C@H]23)[C@H](O)CCC4(C)C)OC1=O 2356598781 ARGBKKMNXCMJSK-HTIIAEJPSA-N 346.379 2.344 0 1 EEAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-n2cccn2)cc1 73275791 OGRPBGATTQEJAA-UHFFFAOYSA-N 331.401 2.023 0 1 EEAF COc1cc2cc(Cc3cnc(N)nc3N)ccc2c(OC)c1OC 45186563 LUSGNZFJPOMGQA-UHFFFAOYSA-N 340.383 2.411 0 1 EEAF COc1cc2c(cc1OC)[C@]1(COc3cc(O)cc(O)c3C1=O)C2 14611373 MKPGLCWEMPNQKG-GOSISDBHSA-N 328.320 2.184 0 1 EEAF biogenic N=C(O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1 89469044 KXSJAIKVZNEKEA-UHFFFAOYSA-N 342.380 2.070 0 1 EEAF COc1ccc(CCNc2nc(N3CCOCC3)ncc2C)cc1 82202503 YPOOHYFALAORHR-UHFFFAOYSA-N 328.416 2.285 0 1 EEAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCc1ccccc1 82203219 WJNWXXBSZWIKSF-UHFFFAOYSA-N 325.416 2.099 0 1 EEAF COc1nccc2c1C(c1ccnc(N3C[C@H](C)O[C@H](C)C3)c1)=NC2 96176095 LLAUIBRXINIULG-BETUJISGSA-N 338.411 2.450 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnc[nH]1 587869875 PZMJCAXXPZYBAR-UHFFFAOYSA-N 337.261 2.384 0 1 EEAF C/C=C1/CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H](CO)[C@H]1C[C@H]24 14685655 IJTKEUDLEABZCZ-YVBRLKKJSA-N 338.451 2.322 0 1 EEAF O=C1Oc2ccccc2[C@@H](O)[C@H]1Cc1c(O)c2ccccc2oc1=O 169714726 VTMRYFQHHNZEHS-MLGOLLRUSA-N 338.315 2.310 0 1 EEAF C[C@H]1[C@@H](NC(=O)[C@H]2CCOC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711369 NTRRNKRZUXQCQV-XZLOLGPPSA-N 334.460 2.099 0 3 EEAF CCCCOc1nc(N)c2[nH]c(=NCC)n(Cc3ccccc3)c2n1 1857580151 GHUVYYMKWPPGCC-UHFFFAOYSA-N 340.431 2.489 0 1 EEAF O[C@@H](CNc1ccccc1Cl)Cn1nnnc1-c1ccccc1 6822755 MQBQTIZSQATXHI-ZDUSSCGKSA-N 329.791 2.467 0 1 EEAF CC(=CC(=O)O)C=C(C)C[C@H](C)C=CCC[C@@H](O)[C@H](CO)C(=O)O 2356423658 AENCTEDXCKWQHS-UHOFOFEASA-N 340.416 2.380 0 1 EEAF Oc1ccc2c(c1)CCN([C@H]1CO[C@H](c3ccccc3)OC1)C[C@H]2O 101376889 DKUNGJZSUMCVMS-AHRSYUTCSA-N 341.407 2.398 0 1 EEAF O=C(c1ccncc1)N1N=C(c2ccco2)C[C@]1(O)C(F)(F)F 102175217 FWESDAYQDRKVQO-ZDUSSCGKSA-N 325.246 2.176 0 1 EEAF CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2cccnc2)c1 34891498 RYSJGGOSMKSRSY-UHFFFAOYSA-N 346.387 2.041 0 1 EEAF CCCOc1ccc(CCCON2C(N)=NC(N)=NC2(C)C)cc1 45196125 QJUSPIWBQGYSNP-UHFFFAOYSA-N 333.436 2.021 0 1 EEAF CC(C)(O)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 238739181 IUMHIIXPABZGRF-OWCLPIDISA-N 333.428 2.376 0 1 EEAF CN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4cccnc4)cc32)N=C1N 95605574 IVIUBEQESHCKKY-IBGZPJMESA-N 336.395 2.292 0 1 EEAF CCOc1ccc(CN2CCOC[C@@H]2c2[nH]ncc2C)cc1CO 299851501 FRLJKYWQYHTDQM-MRXNPFEDSA-N 331.416 2.183 0 1 EEAF COc1ccc2[nH]c3c(c2c1)Cc1nc2nc(O)nc(O)c2cc1C3 587556771 YXAZBUJYFGMBTO-UHFFFAOYSA-N 334.335 2.421 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)OC(C)(C)C1)[C@@H](C2)C3=O 587456475 VZBYCNSPAZWTLH-BBATYDOGSA-N 330.336 2.349 0 1 EEAF Nc1nccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006795 PEKNPPNWBCYXIB-UHFFFAOYSA-N 329.161 2.617 0 1 EEAF Cc1ccc2c(ccc3[nH]c(-c4cc(S(N)(=O)=O)c[nH]4)nc32)n1 586930407 RZBFQUFJLRBCCR-UHFFFAOYSA-N 327.369 2.062 0 1 EEAF CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ncccn1 206141970 NGUQTALSXMYZCZ-UHFFFAOYSA-N 343.387 2.430 0 1 EEAF COC(=O)c1sccc1NC(=O)c1nc(-c2ccncc2)no1 6841786 ZIZJUJHPJVLMMM-UHFFFAOYSA-N 330.325 2.232 0 1 EEAF COC(=O)/C=C/C1=CN2C(=O)c3cc(OC)c(OC)cc3N=C[C@@H]2C1 29330902 AKENXVUINUMILW-ITKZLYELSA-N 342.351 2.247 0 1 EEAF COc1cccc(C(=O)C[C@H](NC(=O)c2ccccc2)C(=O)O)c1 26664305 SBMJJKMFPNSLSM-HNNXBMFYSA-N 327.336 2.151 0 1 EEAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)c1ccco1 2356298000 KLPQGPVUDBILFY-ZACQAIPSSA-N 331.460 2.206 0 1 EEAF COC(=O)[C@H](Cc1ccc(O)cc1)Nc1nc2ccccc2c(=O)o1 27549198 FQCFBORFTMFRAE-HNNXBMFYSA-N 340.335 2.090 0 1 EEAF C[C@]1(CO)C[C@H](O)C[C@]2(C)C3=C(CC[C@H]12)[C@@H]1OC[C@H](O)[C@@]1(C)CC3 2356779033 JMVOKTZSCPYVLB-GJMOWOBSSA-N 336.472 2.412 0 1 EEAF CC(=O)OCC(C)(C)C(=O)[C@H](O)CC=CC=CC(C)(C)[C@@H](C)O 2356845114 OBNXFUAUNSQGAC-UKRRQHHQSA-N 326.433 2.415 0 1 EEAF CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)c1cccc(Cl)c1 195422122 CLRNTUYCMVCXBM-MPTQWLOMSA-N 344.798 2.458 0 1 EEAF CCOC(=O)[C@@H]1CN2C[C@@H](CC[C@@H]2COCc2ccccc2)C1=O 138628773 OLQRAJWMUWOATQ-BRWVUGGUSA-N 331.412 2.046 0 1 EEAF COC(=O)c1cc(NCc2ccccc2)nc(N2CCOCC2)c1 95573173 UVHCZKGPWKCXLX-UHFFFAOYSA-N 327.384 2.317 0 1 EEAF Cc1ccc(O[C@H]2C[C@H]3CN(Cc4nccn4C)CCN3C2)cc1 299843861 YRVMRNYLTNICIM-WMZOPIPTSA-N 326.444 2.066 0 1 EEAF N=C(N)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 587052362 PVBLBBVFWCRPAQ-LLVKDONJSA-N 329.791 2.448 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4cc(F)ccc41)[C@@H](C2)C3=O 587429281 TZAWJBIYTLVPHH-ORAYPTAESA-N 339.322 2.454 0 1 EEAF COc1ccc2c(c1)OC[C@](O)(Cc1ccc(OC)c(OC)c1)[C@@H]2O 5918420 ZTXKDTJDLGSZEA-RTBURBONSA-N 346.379 2.112 0 1 EEAF Cc1cc(O)cc(Oc2cc(C)c(C(=O)OC[C@H](O)CO)c(O)c2)c1 1857628711 IJWLNMJZIYNUSN-CYBMUJFWSA-N 348.351 2.017 0 1 EEAF Nc1nc2c(cnn2Cc2ccc(O)cc2)c2nc(-c3ccco3)nn12 22160 NCUYJDMFUAXBHH-UHFFFAOYSA-N 347.338 2.070 0 1 EEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Oc1ccccc1 100274609 LSSXITVLSRQODU-UJARPBSLSA-N 337.375 2.035 0 1 EEAF O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)cc1 101463987 WCFSMMJEXRPUPU-VIZOYTHASA-N 336.372 2.369 0 1 EEAF O=C(Nc1ccc(Cl)c(C(=O)N2CCNCC2)c1)c1ccco1 103258756 ORWNFLKAVFJGGR-UHFFFAOYSA-N 333.775 2.231 0 1 EEAF O=C(c1cc2ncc(Cl)cn2n1)N1CCc2ncsc2CC1 150250277 UNBIVDPTRGTTPR-UHFFFAOYSA-N 333.804 2.080 0 1 EEAF NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCC1 26673361 LNVWOJGOXJFEIJ-KRWDZBQOSA-N 347.459 2.423 0 1 EEAF C=CC(C)(C)c1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@H](C)NC1=O 1560627 LVPZJIGICMPWFH-XHDPSFHLSA-N 325.412 2.177 0 1 EEAF biogenic CCOC(=O)c1nn(CC)c(=O)c2nn(-c3ccccc3C)c(C)c12 49112897 JFROXGYHOJQFGM-UHFFFAOYSA-N 340.383 2.396 0 1 EEAF COc1nccc2c1C(c1ccnc(N3[C@H]4CC[C@@H]3COC4)c1)=NC2 96176011 QEEIFAMPSVPOKD-GASCZTMLSA-N 336.395 2.204 0 1 EEAF C[C@@H]1C[C@H]2OC(=O)C3=C2[C@@H](CC[C@@H]3O)[C@@]12C[C@@H](c1ccco1)OC2=O 238754919 KKPKVOMMNGLUGV-XLPMDFRQSA-N 344.363 2.287 0 1 EEAF COc1cc([C@H]2[C@H]3C(=CC[C@H]2O)CCN3C)c(C=O)c(OC)c1OC 238760422 KQGUTTVDQZKMQP-DJIMGWMZSA-N 347.411 2.004 0 1 EEAF CC(C)(C)OC(=O)N(Cc1nc2cnncc2[nH]1)C[C@H]1CCCO1 587197430 OSYZNRNCNLPPPI-LLVKDONJSA-N 333.392 2.269 0 1 EEAF COc1ccc(OC)c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1OC 587793895 LYVPTFLPXYMEKG-UHFFFAOYSA-N 335.751 2.063 0 1 EEAF CCOC(=O)[C@H](C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(C)=O 587443091 TWBNYVXNHCOOTQ-PJIJBLCYSA-N 346.379 2.360 0 1 EEAF COc1ccc2c(c1)C[C@@]1(C2)N[C@H](C(=O)O)Cc2cccc(F)c21 962905385 PNLKBOJPDRKNST-QFBILLFUSA-N 327.355 2.427 0 1 EEAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cnc(O)s2)N1 962969321 QFXPLOIBYVDQJP-RDDDGLTNSA-N 346.742 2.469 0 1 EEAF O=C1COc2ccccc2N1Cc1cn(CCc2ccccc2)nn1 1772574901 DRHILRKVGFZAMV-UHFFFAOYSA-N 334.379 2.446 0 1 EEAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2nccs2)CC[C@]1(C)O 2356320923 ZGIQAXZKTRGSNA-KURKYZTESA-N 345.468 2.346 0 1 EEAF CCCCCCC1=NOC[C@]1(C)C(=O)NCCCN1CCCC1=O 4214889 AFLAOAMVYFZAAO-SFHVURJKSA-N 337.464 2.478 0 1 EEAF CCOC(=O)[C@H]1C(=O)[C@@H](C(C)=O)C(=O)C[C@@H]1C[C@@H](C)SCC 101838647 RTYSMJMWAJSKON-DGFQIJBJSA-N 328.430 2.061 0 1 EEAF Cn1cc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)cn1 2356299662 LBZIOTAODHRTAO-BBRMVZONSA-N 329.379 2.036 0 1 EEAF CS(=O)(=O)c1cccc(-c2csc3ncnc(NCCN)c23)c1 114813692 PEKVRDOKUJDRSM-UHFFFAOYSA-N 348.453 2.132 0 1 EEAF CN1c2ccccc2[C@@]2([C@@]34CCN[C@@H]3N(C)c3ccccc34)CCN[C@@H]12 2356566490 JKUVEXHEQZKNSO-COPRSSIGSA-N 346.478 2.401 0 1 EEAF CN1CC=c2c([nH]c3ccccc23)=C1C[C@]1(C)CC[C@@H](C(C)(C)O)O1 2356810316 HUIPXXLAQRVOES-RXVVDRJESA-N 340.467 2.101 0 1 EEAF CNC1=NC(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C 84689918 GBAMAYLRKACPQW-IZZDOVSWSA-N 333.189 2.319 0 1 EEAF COC(=O)Cn1c2ccccc2c2c(N)c(C(=O)OC)c(C)nc21 45194503 LKTYIGJOKADDMH-UHFFFAOYSA-N 327.340 2.040 0 1 EEAF CNC[C@@H](Nc1ccc(C(N)=O)c2ncncc12)c1cccc(F)c1 143733083 UBWQDRPUCAXDSY-MRXNPFEDSA-N 339.374 2.240 0 1 EEAF CC[C@H](CO)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 261183490 WQLWEVAYTYTODL-GFCCVEGCSA-N 340.387 2.221 0 1 EEAF OCCN1COc2cc3c(cc2C1)C=C(c1ccc(O)cc1)CO3 473152673 VCPMAKIOQXWXGJ-UHFFFAOYSA-N 325.364 2.469 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(C(N)=O)c1)[C@@H](C2)C3=O 587434009 ZNLUHMDKUVYUDU-DJJJIMSYSA-N 339.347 2.163 0 1 EEAF CO[C@@H](C)COC1CCC(c2nc3c(O)nc(S)nc3[nH]2)CC1 587952051 LOXUOLQVYNYZOK-IDKOKCKLSA-N 338.433 2.425 0 1 EEAF COC(=O)c1ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 587094299 PALGPHRNDGGJFM-ZETCQYMHSA-N 329.278 2.479 0 1 EEAF CN(Cc1nc2ccc(Cl)cc2[nH]1)S(=O)(=O)c1cccnc1 586929465 VIZYAEGYHNFQRT-UHFFFAOYSA-N 336.804 2.432 0 1 EEAF NS(=O)(=O)Cc1ccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)cc1 586930498 QDZHBTOPUHIXMS-UHFFFAOYSA-N 341.314 2.436 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4nn[nH]n4)cc1)[C@@H](C2)C3=O 587438193 CZKCADRWYBEZIB-SUMWQHHRSA-N 334.335 2.364 0 1 EEAF COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2)c1 5853686 TWVIRKATMIXZLX-UHFFFAOYSA-N 325.372 2.424 0 1 EEAF C/C=C1\CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H](CO)[C@H]1C[C@H]24 5412776 IJTKEUDLEABZCZ-RUTZMJPUSA-N 338.451 2.322 0 1 EEAF O=C(NC1CC1)[C@H]1[C@H]2CN(Cc3ccc(-c4cc[nH]n4)s3)C[C@H]21 1857579273 XUQNYIPPWRDGGQ-YWVIFJGQSA-N 328.441 2.095 0 1 EEAF COc1ccc(CCNC(=O)NC(=O)c2ccc(OC)cc2)cc1 1857772205 SRQSTQOIAIQVQJ-UHFFFAOYSA-N 328.368 2.386 0 1 EEAF O=C(O)C[C@](O)(CSCCCCCCc1ccncc1)C(=O)O 27183805 DNLZBNOFWQKBDH-INIZCTEOSA-N 341.429 2.208 0 1 EEAF O=C(c1cnccn1)N1CCC2(CCCN(c3ccncc3)C2)CC1 3956022 XAKJCABOGDOSPS-UHFFFAOYSA-N 337.427 2.394 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@H](CCO)C[C@@H](C1)[C@H]23 2356786935 TVBMHUVFQRBOBY-KIOZCILKSA-N 340.423 2.026 0 1 EEAF COC(=O)[C@@H]1CC2=C(CN1Cc1ccc(OC)cc1)N(C(C)C)[CH]N2 2356820221 UHAROMDUXQQQQR-KRWDZBQOSA-N 344.435 2.087 0 1 EEAF Cc1nc2c(n1Cc1ccccc1)C(=O)N(C)C1=N[C@@H]3CCC[C@@H]3N12 26285159 JVRLCZNRIILCBC-CABCVRRESA-N 335.411 2.423 0 1 EEAF COc1c2c(cc3c1[C@H](OC)N1CC[C@@]34C=C[C@H](OC)C[C@@H]14)OCO2 14677517 PPHRXIAAESPDMQ-JDOFDTTRSA-N 345.395 2.370 0 1 EEAF biogenic C[C@@]12CC(=O)C[C@@](C)(CO)[C@H]1CCC1=C[C@@](C)([C@@H](O)CO)CC[C@H]12 70455263 DMTGVNZTCBSUQP-MILMJNAHSA-N 336.472 2.460 0 1 EEAF biogenic,in-vitro CCOC(=O)[C@H]1CSC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587453400 QKFFPPHVHNYINV-PSTGCABASA-N 334.393 2.108 0 1 EEAF Cc1ccc(NC(=O)CSCCc2nc3cnnc(O)c3[nH]2)cc1 586969847 AKLYRVNJIPSJAD-UHFFFAOYSA-N 343.412 2.281 0 1 EEAF COC(=O)c1ccc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2n1 587253599 BZKOCETUXJZAGZ-UHFFFAOYSA-N 346.350 2.451 0 1 EEAF Clc1ncc(Br)c2nc(C[C@H]3COCCO3)[nH]c12 586909964 KSUQGYMIKHEMGL-LURJTMIESA-N 332.585 2.332 0 1 EEAF COc1ccccc1[C@H]1CC(=O)Cc2nc3nc(O)nc(O)c3cc21 587559891 OMHQFUFUHWXFKQ-LLVKDONJSA-N 337.335 2.092 0 1 EEAF CCCCC[C@H](O)[C@@H](O)C[C@@H](O)[C@@H](O)CCCCCCCC(=O)O 14761460 VJOGZGLNDROOFS-LUKYLMHMSA-N 348.480 2.216 0 1 EEAF Cc1nnc(CN2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)o1 1857603273 CRSHWPGTZJRDSJ-QAPCUYQASA-N 338.455 2.442 0 1 EEAF CCCCC[C@@H]1OC(=O)[C@H](C)C(=O)C[C@@H](OC(C)=O)CC[C@H]1O 2356415732 ULYITTZTULSLHI-UJDVCPFMSA-N 328.405 2.160 0 1 EEAF O=C1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 79641521 XNXORWDKIQPSNX-SMHQJORMSA-N 325.408 2.411 0 1 EEAF Cc1cccnc1CNC(=O)c1cc(-c2ccccc2F)nc(N)n1 45340214 OMKGDUNXJZBSSX-UHFFFAOYSA-N 337.358 2.498 0 1 EEAF C[S@](=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)NC2=O)cc1 45353766 HNXILEKEKMKPSK-HSZRJFAPSA-N 329.352 2.130 0 1 EEAF O=C(c1ccco1)N1CCO[C@H]2CN(Cc3nccs3)CC[C@@H]2C1 299843676 WHLPMSPHUQETFV-HIFRSBDPSA-N 347.440 2.099 0 1 EEAF CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(=O)N(C)Cc1ccccc1 299851669 ICXYTEYJNZJNPR-LJQANCHMSA-N 337.379 2.212 0 1 EEAF N[C@H](Cc1nc2cnnc(O)c2[nH]1)c1ccc(Br)cc1 586996793 KMQLNDCMJASVME-SECBINFHSA-N 334.177 2.064 0 1 EEAF Oc1nc(O)c2ccc(-c3ncc(Br)cc3F)nc2n1 587368716 VXWCHKGGMOXEAI-UHFFFAOYSA-N 337.108 2.400 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(C(N)=O)c1)[C@@H](C2)C3=O 587434010 ZNLUHMDKUVYUDU-ORAYPTAESA-N 339.347 2.163 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CS(=O)(=O)Oc3ccccc31)O2 587410819 QBGIQKKPDMBITD-KRWDZBQOSA-N 345.376 2.160 0 1 EEAF COC(=O)[C@@H]1[C@H](C)CC[C@]12NC[C@H]1CC(=O)N(C)c3cccc2c31 963026980 PVEMMHAAWDPGGL-AFZXILKMSA-N 328.412 2.154 0 1 EEAF Nc1c(-c2nc(-c3cccs3)no2)nnn1-c1cccc(O)c1 1857648734 CAZWDTJTHSIXTG-UHFFFAOYSA-N 326.341 2.334 0 1 EEAF Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3nnc(C)s3)C2)n1 4967786 DGCFHWHNQUQZGF-LBPRGKRZSA-N 332.433 2.108 0 3 EEAF COc1cc2c(cc1OC)C(c1ccccc1)=Nn1c(O)nnc1C2 29547659 JYOWSIDFSAVZQS-UHFFFAOYSA-N 336.351 2.206 0 1 EEAF CC[C@]12CCCN3C(=O)C[C@]4(O)c5ccccc5N(C(=O)CC1)[C@]324 2356475679 LZUIMMLDZPLMRH-GBESFXJTSA-N 326.396 2.133 0 1 EEAF O=C1C[C@@H]2[C@@H]3CC[C@@H](O)c4c(O)ccc(c43)[C@@]2(O)c2cccc(O)c21 2356719821 JANZOCFCNANROF-QCGVUNIOSA-N 338.359 2.461 0 1 EEAF COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccncc2)cc1 69060945 OVUJJFZBRFPRBB-INIZCTEOSA-N 338.367 2.357 0 1 EEAF Oc1c2c(cc3c1-c1c4c(cc5c1[C@@H](C3)NCC5)OCO4)OCO2 3594915 BHCFQRZCSLOBQJ-SNVBAGLBSA-N 325.320 2.260 0 1 EEAF biogenic O=C1OC[C@H](Cc2ccc(O)c(O)c2)[C@@H]1Cc1ccc2c(c1)OCO2 14760226 JJBONXYTPRSQOP-KBPBESRZSA-N 342.347 2.401 0 1 EEAF biogenic O[C@@]12c3ccccc3[C@@]1(N1CCOCC1)CCCCC21OCCCO1 31851995 VAOWMWKFKFODLA-ICSRJNTNSA-N 345.439 2.123 0 1 EEAF C/C=C/[C@@H]1Oc2ccc(OC)cc2N2C(=O)[C@H](C)[C@@H](OCOC)[C@H]12 198017787 BSKPAPARTCMSGM-JYCRJHSMSA-N 333.384 2.373 0 1 EEAF CC(=O)NC1=NCC[C@@H](c2c[nH]c3cc(Br)ccc23)N1 45289557 WIMLTZGMXSHPMW-LBPRGKRZSA-N 335.205 2.457 0 1 EEAF CO[C@H](C)COC1CCC(c2nc3c(O)nc(S)nc3[nH]2)CC1 587952056 LOXUOLQVYNYZOK-XNWIYYODSA-N 338.433 2.425 0 1 EEAF COc1cc2c(cc1OC)[C@](C)(c1nn(C)cc1O)N(C)[C@@H](C)C2 962573324 RCXXNZDYUKPLAC-BBATYDOGSA-N 331.416 2.283 0 1 EEAF CCOC(=O)C[C@]1(C2CCOCC2)NCCc2nc3ccccn3c21 962987309 KYGMWJMAWCPJSU-LJQANCHMSA-N 343.427 2.055 0 1 EEAF CCOC(=O)N1CCC(NC(=O)c2ccc3snnc3c2)CC1 5152140 DOHKGQVWJXPCQH-UHFFFAOYSA-N 334.401 2.042 0 3 EEAF aggregator COc1cccc2c1[C@@H](O)[C@]1(O)[C@H]3c4c(O)cc(C)cc4C[C@H]1O[C@@H]23 2356323561 CXWRZBHQTINGNV-RBUQIHAASA-N 340.375 2.267 0 1 EEAF O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCCP(=O)(O)O 29312822 BGMABACAHZGSLC-INIZCTEOSA-N 349.323 2.117 0 1 EEAF O=C(OC1C[C@@H]2CC3C[C@@H](C1)N2C[C@@H]3O)c1c[nH]c2ccccc12 101104709 MLWGAEVSWJXOQJ-SZNUJHBUSA-N 326.396 2.311 0 1 EEAF in-vivo N[C@@H](CCC(=O)O)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 72136312 SATJQWCPOCLCTP-NSHDSACASA-N 349.774 2.030 0 1 EEAF Cn1cc(-c2cnc(N)c(C(=O)NCc3ccc(F)cc3F)c2)cn1 84689848 RSSGAASKVVTZGX-UHFFFAOYSA-N 343.337 2.273 0 1 EEAF CC1(C)[C@H](O)C(=O)C[C@]2(C)[C@@H]1CC=C1C[C@@](C)([C@H](O)CO)CC[C@@H]12 85506284 IJIWEBRZAZWLRR-XCCVAVIKSA-N 336.472 2.459 0 1 EEAF biogenic,in-vitro COc1cc(C(=O)[C@H](CO)c2cc(OC)c(O)c(OC)c2)ccc1O 45496605 CZKPUZKGTUPACP-GFCCVEGCSA-N 348.351 2.082 0 1 EEAF CCc1nc(C(=O)N[C@@H](C(=O)NCc2ccco2)C(C)C)cs1 82070027 PBWXNNJEXIPPMB-CQSZACIVSA-N 335.429 2.369 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)C2)N1 587843714 JUSVCBSJJUUVOO-SDBXPKJASA-N 348.237 2.136 0 1 EEAF Cc1nn(C)c2c1C(c1ccccc1Br)=NCC(=O)N2C 169335511 JZOUXSSKWJZOOA-UHFFFAOYSA-N 347.216 2.305 0 1 EEAF CC1=C2[C@H](O)[C@]3(O)CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C(=O)[C@@H]2OC1=O 1857638660 JDDAWARJXMHUIR-AVZCISJSSA-N 348.439 2.146 0 1 EEAF CN(Cc1ccco1)C(=O)CN1N=C(c2ccccc2)CCC1=O 220917 VUNWKLATQBAQEF-UHFFFAOYSA-N 325.368 2.265 0 1 EEAF N[C@@H](Cc1cc(-c2ccccc2)ccc1CCP(=O)(O)O)C(=O)O 1535747 TUFXEOCVQFGLHS-INIZCTEOSA-N 349.323 2.028 0 1 EEAF O=C(C1CCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cncnc2)cc1 100101621 ZWFPVURPXUIOJS-BWTSREIZSA-N 334.423 2.210 0 1 EEAF CC=C1CN2CC[C@]34C(=O)c5ccccc5N3[C@H](C(=O)OC)[C@H]1C[C@@H]24 2356393676 PPYARVBMTFPVQA-FORWCCJISA-N 338.407 2.024 0 1 EEAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(C(=O)O)cc1 104031443 IKEFRVOAQCLKOY-FRRXJZEGSA-N 328.328 2.478 0 1 EEAF OC[C@@H](Nc1ncnc2sc3c(c12)CCNC3)c1ccccc1 64526854 YJKYRXWDWPMWEG-CYBMUJFWSA-N 326.425 2.483 0 1 EEAF COc1cc(N[C@H](C)CCCNC(=O)NCCO)c2ncccc2c1 43018551 KIEAFCIJUOFJTL-CYBMUJFWSA-N 346.431 2.116 0 1 EEAF O=C1C2=C(CCCC2)S(=O)(=O)N1c1c(F)c(F)nc(F)c1F 40873860 RJLQCJGZDCLHKE-UHFFFAOYSA-N 336.266 2.143 0 1 EEAF O[C@@H](CN1CCNCC1)[C@H](c1ccccc1)n1ccc2ccccc21 45246071 LQXLMIBCEDZZFC-SFTDATJTSA-N 335.451 2.497 0 1 EEAF CO[C@H](C(=O)O[C@H]1C(=O)N2CC[C@H]3CC[C@@H]1[C@@]32C)c1ccccc1 96909121 XTAGYWVBMDSJKJ-LAIHZFQQSA-N 329.396 2.317 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C(=O)C(F)(F)F)CC1)O2 587380097 AHBXZGFBCNCHHI-UHFFFAOYSA-N 342.317 2.466 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N)nc2)N1 587748272 VZYRGYYDEJDVSS-FUXBKTLASA-N 337.196 2.584 0 1 EEAF N[C@@H](Cc1cccc(Br)c1)c1nc2cnnc(O)c2[nH]1 586984334 PVEVWXXIQIFXBE-VIFPVBQESA-N 334.177 2.064 0 1 EEAF CSc1ccccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C 13818344 PUUFRVDJRLTUQM-UHFFFAOYSA-N 344.440 2.468 0 1 EEAF COC(=O)c1cc(=O)c2cccc(S(=O)(=O)c3ccccc3)c2[nH]1 169314557 FREXYPXVXXZSMH-UHFFFAOYSA-N 343.360 2.148 0 1 EEAF Cn1nccc1-c1nc(=NC2(C(F)(F)F)CC2)c2ccncc2[nH]1 1857588492 YWDJQEQIHYKMIP-UHFFFAOYSA-N 334.305 2.354 0 1 EEAF O=C(O)C[C@](O)(CSCCCCCc1ccccc1)C(=O)O 13758230 QGUXUSKYVAIZLD-INIZCTEOSA-N 326.414 2.423 0 1 EEAF O=c1[nH][nH]c2nc(CNCCc3cccc(F)c3)nc3cccc1c32 59275399 YQPHVGZWALUTJX-UHFFFAOYSA-N 337.358 2.271 0 1 EEAF C[C@@H](CCc1cccc(F)c1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27736488 WGKXQUYYWFGQBK-SGTLLEGYSA-N 346.402 2.275 0 1 EEAF CC(C)CCN[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)Nc1ccccc1 2356851342 QGPMDNDSUVPREX-WCXIOVBPSA-N 334.416 2.406 0 1 EEAF CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1NC(C)=O 73222900 WEAJPAPZLYQPRZ-UHFFFAOYSA-N 339.735 2.114 0 1 EEAF Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(N2CC[C@H](O)C2)n1 40405083 MQOQRZFCMHSVRA-HNNXBMFYSA-N 345.374 2.410 0 1 EEAF CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(F)ccc1-2 95594831 YKRYEHIEQKEGRG-ZDUSSCGKSA-N 329.331 2.479 0 1 EEAF COc1cc2c(cc1OCCCCO[N+](=O)[O-])C(=O)[C@H](C)OC2 95558433 GFGDTLFGZZDVKX-JTQLQIEISA-N 325.317 2.164 0 1 EEAF O=C(Cc1ccc2c(c1)OCO2)N1CCCC[C@H]1CN1CCCC1 621431669 UVJYIBVJLFUPFY-INIZCTEOSA-N 330.428 2.435 0 1 EEAF CNc1cncc([C@@H]2CCCN2Cc2ccnc(N3CCCC3)n2)n1 299851553 UDEOYIJKCRSUCT-INIZCTEOSA-N 339.447 2.246 0 1 EEAF COc1cccc(-c2ccccc2Oc2cc(=O)n(O)c(=O)n2C)c1 1857556375 NHCMYPOUNJBRBL-UHFFFAOYSA-N 340.335 2.252 0 1 EEAF CC(C)(C)c1ccc(CN2C[C@H]3C[C@@H](O)C[C@H]3C2)c(OCC(N)=O)c1 1857602418 MGMHOARADVJVRT-SCAQPMJSSA-N 346.471 2.051 0 1 EEAF O=C(O)CCCCCN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 1857744352 UNFVZROPRQAAMN-GOSISDBHSA-N 330.384 2.415 0 1 EEAF O=C(O)C[C@@](O)(CSCCCCCCc1ccccn1)C(=O)O 27183824 WIRKJFCDFMYBAL-MRXNPFEDSA-N 341.429 2.208 0 1 EEAF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@@]4(O)CO)[C@@H](O)C(=O)[C@H]12 2356406714 DXKOYDRYFOHLGA-VBNHNSTKSA-N 336.472 2.292 0 1 EEAF CC1=CCC[C@H]2[C@@]1(CO)[C@@H](O)C[C@@H](C)[C@@]2(C)CCC(=CCO)CO 2356613475 NJLSXRXWVWUJTF-PKOFMYQESA-N 338.488 2.420 0 1 EEAF CCCNCC(=O)Nc1ccccc1[C@@H]1NC(=O)Cc2ccccc21 33852871 NYASMVOUDSCZDH-HXUWFJFHSA-N 337.423 2.386 0 1 EEAF CC(=O)NC1=NCC[C@H](c2c[nH]c3ccc(Br)cc23)N1 45256263 BXUVFNWDBMCEKT-CYBMUJFWSA-N 335.205 2.457 0 1 EEAF O=S1(=O)N=C(NC23CCC(F)(CC2)CC3)O[C@H]2CCCC[C@H]21 96273947 DQSVYYZOGHXFTD-CZWNDGCPSA-N 330.425 2.418 0 1 EEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CNC(=O)CC)cc1 95895383 GTUJJNILEQVMPG-SLPPDVPHSA-N 344.455 2.311 0 1 EEAF CNS(=O)(=O)c1cc(-c2nc3cc(F)c(Cl)cc3[nH]2)n(C)c1 586947524 QRIFMMVSUBSPMH-UHFFFAOYSA-N 342.783 2.269 0 1 EEAF CCOC(=O)c1[nH]c(C)c(-c2ccc3c(O)nc(O)nc3n2)c1C 587556736 YLQJOCKFCBAWOK-UHFFFAOYSA-N 328.328 2.225 0 1 EEAF CCOC(=O)[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436355 OGQZETBKTOUTLO-AUUYWEPGSA-N 339.347 2.296 0 1 EEAF COc1cc(OC)c(-c2ccc3c(O)nc(O)nc3n2)cc1OC 587559698 LSXYRGCACHVJED-UHFFFAOYSA-N 329.312 2.129 0 1 EEAF CN(C)CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660858 ULQMCFCXGWISHB-UHFFFAOYSA-N 325.343 2.404 0 1 EEAF COc1cc2c3c(c1)OC1(CCC4(CC1)CNC(=O)C4)[C@@H](C2)C3=O 587437942 BRUVAEKGKWEWMS-MDAWKPQNSA-N 327.380 2.262 0 1 EEAF CC[C@H](OC(=O)c1ccco1)C(=O)NCc1ccc2c(c1)OCO2 15935920 CNBDTPFBLUYRBU-LBPRGKRZSA-N 331.324 2.260 0 3 EEAF O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1cccc(Cl)c1 169304352 MNBATSXGFCDNBK-JKRUQDRFSA-N 349.770 2.019 0 1 EEAF CC1CCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1 169704055 LDADVZBZIUXICI-UHFFFAOYSA-N 336.399 2.246 0 1 EEAF C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2c(N)ccc3nccn23)c1O 169727147 LCNVRUXNPOWVOK-IAGOWNOFSA-N 326.356 2.373 0 1 EEAF O[C@@H](CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 13730858 ZTPBJWUQRZTCOT-KRWDZBQOSA-N 330.407 2.252 0 1 EEAF COc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2OC)ccc1O 2356362327 FAKIGXKXGPZHOO-IAGOWNOFSA-N 332.308 2.143 0 1 EEAF CN1CCN(Cc2ccc(Cl)cc2Cl)C[C@@H]1C1=NCCN1 55906563 SZWREMOBIUBYDP-CQSZACIVSA-N 327.259 2.111 0 1 EEAF c1ccc2c(c1)O[C@@H](N1CCCC1)c1cnc(N3CCOCC3)nc1-2 29208341 LMAOUUVQFQUAOU-GOSISDBHSA-N 338.411 2.467 0 1 EEAF CCN1C(NCCCCO)=N[C@@H](c2ccccc2)C(C(=O)OC)=C1C 36379144 AOWKQEMDGFCTAY-KRWDZBQOSA-N 345.443 2.228 0 1 EEAF COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)cc1O 14436886 MBAMSENKVRMPKA-UHFFFAOYSA-N 346.291 2.300 0 1 EEAF biogenic Cc1cnn2c1n[n+]([O-])c1ccc(OCc3ccnc(Cl)c3)cc12 95603510 KNVAZZRJSZVSMN-UHFFFAOYSA-N 341.758 2.452 0 1 EEAF COc1cccc(CCN2[C@H]3[C@@H]4[C@H]5C[C@@H]6[C@@H]4[C@]2(O)[C@@H]2[C@H]6[C@@H]5[C@@H]32)c1OC 254086111 FOTUXOOYRRRHFQ-GHXRRUKQSA-N 339.435 2.007 0 1 EEAF CN(C)CCOc1ccc2nc(-c3c(N)cccc3C(=O)O)[nH]c2c1 587248564 UEFRFDQRGFSTTP-UHFFFAOYSA-N 340.383 2.451 0 1 EEAF Cc1c(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)oc2c1[C@H](O)CCC2 586903509 LAVMOGOVRUAYMK-GFCCVEGCSA-N 347.396 2.148 0 1 EEAF CC(C)(C)OC(=O)NC[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587553314 GIXATRROLRUUBW-VIFPVBQESA-N 346.387 2.066 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@H](O)[C@@H](C1)N2C 587489565 USOHRPJOUSHZDJ-XBSWOTBGSA-N 331.412 2.276 0 1 EEAF O=S1(=O)N=C(NCC2CCCCC2)Nc2ncc(Cl)cc21 13558201 OCSDQHJREYLXLQ-UHFFFAOYSA-N 328.825 2.375 0 1 EEAF CCOc1ccccc1CNc1nc2nc3c(c(O)n2n1)CCC3 18156418 XHILPQBRNGTGPP-UHFFFAOYSA-N 325.372 2.329 0 1 EEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Oc1ccccc1 100274604 LSSXITVLSRQODU-CNGUFQHNSA-N 337.375 2.035 0 1 EEAF CCCC[C@@H](NC(=O)[C@@H](N)C(C)C)C(=O)NCCCc1ccccc1 27741239 OGROYLSSMWEENY-MSOLQXFVSA-N 347.503 2.394 0 1 EEAF CC/C=C/C(=O)NCCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26503526 JVFUZYWHCQKPEN-XGACYXMMSA-N 348.424 2.042 0 1 EEAF COC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)COc2ccccc2)cc1 29471808 SFMAMDMWNAQZFI-CRAIPNDOSA-N 343.423 2.434 0 1 EEAF Cc1cccc(N2CCN(C(=O)[C@H]3CCC(=O)N3C(C)C)C[C@@H]2C)c1 20683692 XIZZOKRHJDSUBY-FUHWJXTLSA-N 343.471 2.432 0 1 EEAF CC=C1[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4C[C@@H]([C@H]2CO)N3[C@@H]1O 2356720807 KKBTYLUGDNWYDI-XJBYCVLGSA-N 340.423 2.351 0 1 EEAF Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccncn2)cc1 35001738 FZRGXHQWYZWZDZ-UHFFFAOYSA-N 340.412 2.405 0 1 EEAF C[C@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1N)C(=O)O 40861917 WXWWNNXDHNGEMA-QMMMGPOBSA-N 347.421 2.404 0 1 EEAF CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)CCCCC3=O)C(=O)O1 40753669 KYOCHVBKZFWUGA-ZDUSSCGKSA-N 334.347 2.196 0 1 EEAF CC[C@H]1CN2CC[C@@]3(C(=O)Nc4cc(OC)ccc43)[C@@H]2C[C@@H]1CCO 86050628 VVOGXKLEHPHFES-OACKDKIBSA-N 344.455 2.388 0 1 EEAF COCCNc1ncc(C(=O)NCC2CC2)c(-c2ccccc2F)n1 82217116 USFGXPCTTSNOJM-UHFFFAOYSA-N 344.390 2.481 0 1 EEAF N=C(N)Nc1ccc(Nc2ccc(NC(=O)CCCN)cc2)cc1 95593018 AJTWKMOKPOCQCL-UHFFFAOYSA-N 326.404 2.413 0 1 EEAF COc1cc(O)cc([C@H]2Oc3c(OC)cc(C=O)cc3[C@@H]2CO)c1 238768088 RPBBEKGVUSUHOB-DOTOQJQBSA-N 330.336 2.432 0 1 EEAF C[C@@H](Cc1ccc2c(c1)OCO2)c1cn(CCN2CCCC2)nn1 91858367 RFUJJTNBNFZVIT-AWEZNQCLSA-N 328.416 2.449 0 1 EEAF CC(C)CCN[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3ccccc3)CO[C@H]21 25213492 QGPMDNDSUVPREX-LTIDMASMSA-N 334.416 2.406 0 1 EEAF biogenic O=S1(=O)C[C@@H]2c3ccccc3CN2CN1CCc1ccccc1 263590502 NHEBMIZXJHAQDX-GOSISDBHSA-N 328.437 2.389 0 3 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCNC(=O)C1CCOCC1)O2 587387667 RJJMSPDJUWXXIB-AWEZNQCLSA-N 346.427 2.234 0 1 EEAF CNc1nc(SC)ncc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453839 UMHCAJHARSZPOB-MEBBXXQBSA-N 343.408 2.738 0 1 EEAF Cc1cc(Br)cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 587970520 JKCMYHQPSHGRRY-AYMMMOKOSA-N 339.145 2.133 0 1 EEAF CCCCS(=O)(=O)N[C@@H](c1nc2ccnc(O)c2[nH]1)C(C)C 586933087 MKEKYEKLLSPOGB-LLVKDONJSA-N 326.422 2.080 0 1 EEAF COCCNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 205446004 JVCZIVYAJRUQHY-UHFFFAOYSA-N 326.360 2.096 0 1 EEAF O=C(O)COc1ccc(OCc2cn(-c3ccccc3)nn2)cc1F 1857543871 UPIYLHBWQGOQMQ-UHFFFAOYSA-N 343.314 2.449 0 1 EEAF O=C(CC(=O)c1ccccc1OCc1ccc(F)cc1)c1nnn[nH]1 103139685 RHBKNUSGBHCLDJ-UHFFFAOYSA-N 340.314 2.374 0 1 EEAF C[C@H](OC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)C(=O)Nc1ccc(C(N)=O)cc1 102373494 INPXQEUQQYHOKP-MXYBEHONSA-N 344.411 2.482 0 1 EEAF O=C(N[C@@H]1CCc2ccccc21)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1 73196755 JRBPWKGPYGZYOP-FUHIMQAGSA-N 348.450 2.155 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN[C@H](C)C2=O)N1 587795291 OCEGHZAUQYQWFQ-XWRVAKJBSA-N 339.208 2.392 0 1 EEAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(Br)o3)nc12 587006724 NYXJWZSGASKYMY-UHFFFAOYSA-N 342.174 2.233 0 1 EEAF N=c1cc[nH]cc1-c1nc2cc(I)cnc2[nH]1 587249664 QQQKIMWCMQWKBY-UHFFFAOYSA-N 337.124 2.037 0 1 EEAF COc1nccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c12 587224357 IFENRDPURSVHDO-NSHDSACASA-N 326.356 2.050 0 1 EEAF CN1CCN(c2ccc3nc([C@H](O)c4cccc(O)c4)[nH]c3c2)CC1 586893065 TWLJVBCDKXVJDW-GOSISDBHSA-N 338.411 2.102 0 1 EEAF Cn1cc(-c2csc([C@@H]3NCCc4c(C(=O)O)cccc43)n2)cn1 963135044 VXTYZKLDCKXROD-OAHLLOKOSA-N 340.408 2.477 0 1 EEAF COc1cc2c3c(cc4c(c3c1OC)C(=O)[C@@H](O)CC4)N(C)CC2 14856579 ARDXCTHASHVQJB-ZDUSSCGKSA-N 327.380 2.339 0 1 EEAF biogenic,in-vitro CC(C)(C)[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O 150193104 QNABCEIFFFLNEQ-OAHLLOKOSA-N 345.443 2.378 0 1 EEAF Cc1ccc(C2=NN(CC(=O)NCc3ccccn3)C(=O)CC2)cc1 220035 WBRYVOBDRJJNHA-UHFFFAOYSA-N 336.395 2.033 0 3 EEAF CC(C)C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](O)[C@H]1O 2356286735 OIDDECWZYGIETC-IGQOVBAYSA-N 331.334 2.055 0 1 EEAF CC(=O)Nc1ccc2c(O)c(C(=O)NCc3ccccc3)cnc2n1 28525243 LAHRBSNIYBRZLJ-UHFFFAOYSA-N 336.351 2.224 0 1 EEAF CCN(CC)C(=O)c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)cc1 27860981 SIKMXJBDVIIHKB-AWEZNQCLSA-N 332.322 2.420 0 1 EEAF Cc1occc1C(=O)N1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@H]21 299841764 FYBBZVNIAANEAX-BFYDXBDKSA-N 328.368 2.434 0 1 EEAF C[C@@]1([C@@H](O)CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357265 UBVWQDFUUHDEHV-JZXOWHBKSA-N 332.327 2.002 0 1 EEAF COc1cc(-c2nc3c(O)ncnc3[nH]2)nn1-c1ccccc1F 587157282 ZSDWWGSDKRALLP-UHFFFAOYSA-N 326.291 2.059 0 1 EEAF C[C@@H](Oc1ccc(F)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587168664 KRIQQLJIWJCUQH-SECBINFHSA-N 335.360 2.489 0 1 EEAF CCOC(=O)[C@H](CC(C)=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444000 XVJWDYYHCSRLFK-BIENJYKASA-N 346.379 2.360 0 1 EEAF CC(CO)(CO)C(=O)Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1 221463517 WJHOZKJUMLNLHA-NSCUHMNNSA-N 344.363 2.165 0 1 EEAF CN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccc[n+]([O-])c21 13824865 OGXAQGGGYODFNR-UHFFFAOYSA-N 330.775 2.078 0 1 EEAF Cc1ccccc1NS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 15941781 NVJDZILUOKRVPF-UHFFFAOYSA-N 332.381 2.435 0 3 EEAF CNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3cc(OC)ccc3c2)CC1 1857534853 JNCFUQZQVNACPT-NNUKFRKNSA-N 341.411 2.278 0 1 EEAF N=c1nc(-c2ccc(-n3cnnn3)cc2)cc(-c2ccc(F)cc2)[nH]1 1857566199 NGXUFESKZCSEMO-UHFFFAOYSA-N 333.330 2.338 0 1 EEAF O=C(Nc1ccc2n[nH]cc2c1)c1c(Cl)cccc1-n1cnnn1 1857577781 BCOJUZOSKBNNMP-UHFFFAOYSA-N 339.746 2.444 0 1 EEAF Cc1cnn(-c2ccncc2N2[C@H]3CC[C@@H]2C[C@@H](C(=O)N(C)C)C3)c1 1857582168 BBSFGFSUAZNGSG-PHZGNYQRSA-N 339.443 2.411 0 1 EEAF COc1ncccc1C(=O)Nc1cnn(Cc2c(C)noc2C)c1 1857614771 VIIZBANUYOKXOO-UHFFFAOYSA-N 327.344 2.192 0 1 EEAF Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccccc3F)oc12 100087084 BQJFKCXRZXDOKW-FXBPSFAMSA-N 327.315 2.099 0 1 EEAF O=C(NC[C@@H]1Cn2cc(-c3ccccc3)nc2CO1)c1cccnc1 2356735596 MSQQCVWSAHZGIQ-MRXNPFEDSA-N 334.379 2.274 0 1 EEAF CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2ccccn2)C1 84671422 STKUWOCHXYAYNQ-UHFFFAOYSA-N 329.400 2.168 0 1 EEAF CCN1C(=O)CC[C@H]1C(=O)NCc1ccccc1Br 95565546 BARYTNPKFJRSOV-LBPRGKRZSA-N 325.206 2.076 0 1 EEAF O=S(=O)(c1cccc2cnccc12)N1CCC[C@]2(CCCNC2)C1 96283206 IQMKKPMZGCJXBK-SFHVURJKSA-N 345.468 2.389 0 1 EEAF Cc1cnc(N2CCO[C@H]3C[C@@H](COCc4cccnc4)C[C@H]32)nc1 299843279 PSDQJDOTOOQECG-KSZLIROESA-N 340.427 2.381 0 1 EEAF CC(C)=CCn1cc(C[C@@H]2NC(=O)[C@H](C)NC2=O)c2ccccc21 299865798 UNYNGLCVZKLLDV-BBRMVZONSA-N 325.412 2.153 0 1 EEAF O=C1CSC[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)N1 587044197 RPWMLTYHVDKFJK-RXMQYKEDSA-N 347.625 2.278 0 1 EEAF CNC(=O)COc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587387099 NCPOCQCLBDJUGY-QGZVFWFLSA-N 340.379 2.409 0 1 EEAF Nc1ncnc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc12 587030109 YBRDDEYYNJGLPZ-UHFFFAOYSA-N 348.395 2.457 0 1 EEAF O=Cc1cc(Br)cc(-c2nc3c(O)nc(O)nc3[nH]2)c1 586983230 XIZBHOAHOOWTOJ-UHFFFAOYSA-N 335.117 2.006 0 1 EEAF CCOC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]n1 587438420 FMEIHJXFCMQYIG-QLJPJBMISA-N 328.324 2.084 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-n4cnnn4)c1)[C@@H](C2)C3=O 587437607 KDYGHJKQQPWLMK-HNAYVOBHSA-N 348.362 2.334 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4ccc(F)cc41)[C@@H](C2)C3=O 587426258 ADSARJMNKDBFEX-ORAYPTAESA-N 339.322 2.454 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN[C@H](C)C2=O)N1 587795287 OCEGHZAUQYQWFQ-KEMUVXCRSA-N 339.208 2.392 0 1 EEAF CCOC(=O)Cc1ccc2nc(-c3nnn(C)c3C(F)F)[nH]c2c1 587128384 LFHICQYVAMEKAB-UHFFFAOYSA-N 335.314 2.402 0 1 EEAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(O)nc(N)nc2[nH]1 587926050 GZKXOITVZJESFP-VIFPVBQESA-N 329.360 2.200 0 1 EEAF COCCn1cc(-c2c(C)nc3c(N4CCCC4)nccn23)cn1 169333462 VNOFVPBHUHMJDF-UHFFFAOYSA-N 326.404 2.148 0 1 EEAF CN(C)c1nc(N(C)C)nc(N(C)CN(C)c2ccc(Cl)cc2)n1 1635049 BDVIETWBFAUONM-UHFFFAOYSA-N 349.870 2.187 0 1 EEAF Cc1cccc(-c2n[nH]c(SCc3cc(O)n4ncnc4n3)n2)c1 21093306 DWNJTIRJMQPIRY-UHFFFAOYSA-N 339.384 2.216 0 1 EEAF CO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC 104017177 KTSJSNDARNZUFO-JNINTMOKSA-N 330.344 2.407 0 1 EEAF O=C1NC(=O)[C@]2(CN(Cc3ccc(F)cc3)c3ccc(F)cc32)N1 28229372 FTLOLNISQBDXGP-QGZVFWFLSA-N 329.306 2.020 0 1 EEAF C[C@H]1C[C@@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@](C)(O)/C=C/2[C@@H]1O)C3(C)C 238787786 ZFDMXNDICCVTAD-DZRUJYPQSA-N 336.472 2.457 0 1 EEAF CCO[C@@H]1O[C@H]2CN[C@@H]3C[C@H](OC)C=C[C@]32c2cc3c(cc21)OCO3 95910443 DWXXGLPEQMCHLG-ZMKKGPNFSA-N 345.395 2.034 0 1 EEAF biogenic,in-vitro CC(C)(C)CC(=O)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 25430458 PQUYJKXKIMDJIT-HNNXBMFYSA-N 343.427 2.098 0 1 EEAF biogenic CCOC(=O)C[C@]1(C(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421337 JURZWOZWXNDCBH-HWPZZCPQSA-N 326.295 2.400 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(C(C)=O)c4ccccc41)[C@@H](C2)C3=O 587437252 YTSNXXNYCKWUJX-VBKZILBWSA-N 349.342 2.231 0 1 EEAF NS(=O)(=O)c1ccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2c1 586878318 CMSZFHNLOSEFOM-YVMONPNESA-N 343.364 2.079 0 1 EEAF COC[C@@]1(CC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587789212 BLZAIIUCZCLPKE-RMLUDKJBSA-N 346.196 2.439 0 1 EEAF COc1cc(OC)c2[nH]c(CCNC(=O)Cc3ccccc3)nc2c1 587228907 TXYJZJRLOUSHJU-UHFFFAOYSA-N 339.395 2.482 0 1 EEAF CCC12CN3CN(C1)CC(CC)(C3)C21NCCc2c(C)ccnc21 963066380 HEYDWDROTMMIMY-UHFFFAOYSA-N 326.488 2.126 0 1 EEAF CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(CCC)c1=O 12405292 YZLVQSTZDPGPKU-UHFFFAOYSA-N 326.400 2.297 0 1 EEAF CCO[C@H]1C=C2[C@H]3CN(Cc4cc5c(cc43)OCO5)[C@H]2C[C@@H]1OC 1857754995 XMKKAFRYGUNEGX-OVWQWFNUSA-N 329.396 2.447 0 1 EEAF CC(=O)[C@H]1[C@H](c2ccccc2Cl)NC(=O)N[C@]1(O)C(F)(F)F 4278893 YGAIATAVOPJRDO-JBLDHEPKSA-N 336.697 2.150 0 1 EEAF CC[C@@H](Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1)C(=O)OC 104187523 OIBJALMHIDYCSU-GFCCVEGCSA-N 344.396 2.104 0 3 EEAF O[C@@H]1C[C@@H](O)[C@@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]12 27894604 MORPIEPGKNRPKN-HSFUPAIVSA-N 334.412 2.142 0 1 EEAF CN(Cc1cccc(C(F)(F)F)c1)c1cnc2nc(N)nc(N)c2n1 29224714 VVYRUVCBWKEFNR-UHFFFAOYSA-N 349.320 2.239 0 1 EEAF CC=C1C[C@H]2C[C@H]3N1CC[C@]31C(=O)c3ccccc3N1[C@@H]2C(=O)OC 2356615003 RLYVFQYPWUGRNE-TXYQZCGRSA-N 338.407 2.371 0 1 EEAF O=S1(=O)c2cccnc2O[C@@H](Cc2ccccc2)CN1CC1CC1 299851986 LSGMNZZUOFUPPX-INIZCTEOSA-N 344.436 2.486 0 1 EEAF NS(=O)(=O)c1ccc(CCc2nc3c(Cl)ccnc3[nH]2)cc1 586930289 PVQCACOAQXDPPS-UHFFFAOYSA-N 336.804 2.044 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4cnccn4)c1)[C@@H](C2)C3=O 587432761 RBTLPEJVVFNBNB-UGSOOPFHSA-N 334.335 2.160 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1 586950242 DJBRGNGKGVQEJB-UHFFFAOYSA-N 331.353 2.300 0 1 EEAF Nc1ncnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 587078787 BIBAFQAUOLAQRB-JTQLQIEISA-N 327.779 2.312 0 1 EEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cccc(C(=O)O)c2[nH]1 587226247 XQSWEGNIJNPGKF-LLVKDONJSA-N 339.351 2.345 0 1 EEAF O=C(/C=C\c1nc2c(O)nc(S)nc2[nH]1)Nc1ccc(F)cc1 587167169 OHXDEUGCROPWEK-WAYWQWQTSA-N 331.332 2.138 0 1 EEAF CCOC(=O)COc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587554920 KVTNCRUQBLXYJA-UHFFFAOYSA-N 341.323 2.045 0 1 EEAF CN1C(=O)C[C@@H]2CN[C@]3(CCOc4c(N)cccc43)c3cccc1c32 963025259 JSMBBVKKGHVDFD-MPBGBICISA-N 335.407 2.348 0 1 EEAF CCN(C(=O)[C@H]1CCCO1)c1nc2c(s1)CCc1c-2cnn1C 12146170 FUFLIWPLLKZJOT-GFCCVEGCSA-N 332.429 2.174 0 1 EEAF CN(C)S(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3 14952506 XEFXETODQKLDOJ-UHFFFAOYSA-N 337.397 2.247 0 1 EEAF O=c1oc2ccccc2cc1-n1cc(Cn2ccc3cncnc32)nn1 1857583370 FMUPYWZXNFPKPH-UHFFFAOYSA-N 344.334 2.167 0 1 EEAF C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CCC(=O)N2C2CCCC2)C1 4099447 ODBQOHMVJQEFQL-NUJGCVRESA-N 349.519 2.404 0 3 EEAF CNC(=S)N1[C@H]2CCC[C@H]1CC(NC(=O)c1ccc(F)cc1)C2 103344443 JVVSNXHYKCDIRV-GJZGRUSLSA-N 335.448 2.445 0 3 EEAF COC(=O)c1cc2c(N)c(C(=O)c3ccc(C)cc3)sc2[nH]c1=O 28902820 OSBNWKNVVYGMEJ-UHFFFAOYSA-N 342.376 2.498 0 1 EEAF CC(C)NC(=O)[C@]1(C)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 61929094 KELTWJUODWHMAO-IBGZPJMESA-N 339.395 2.066 0 3 EEAF CC1(C)C[C@H](O)C[C@]2(C)[C@@H]1C[C@H](O)[C@]1(O)C[C@H]3C[C@@]12CC[C@@]3(C)O 2356698390 UICCWCWMTBQVAX-RYWZFUQUSA-N 338.488 2.227 0 1 EEAF CC(C=CC(=O)N[C@@H](CO)Cc1ccc(O)cc1)=C[C@@H](C)CC(=O)O 2356752206 PWIPPVISROQJBU-GDBMZVCRSA-N 347.411 2.025 0 1 EEAF Nc1nc(N2C[C@H]3NCC[C@@H]3C2)c2oc3ccc(Cl)cc3c2n1 73156192 DSARWPRWXDBOQN-LDYMZIIASA-N 329.791 2.410 0 1 EEAF COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@H](c3ccncc3)[C@@H]1C2 73168573 GXWKICGJRDYLKP-CXAGYDPISA-N 338.367 2.111 0 1 EEAF CCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@H](C2)N(C)CC[C@@]341 194940752 FSCQVYBJKCUYMM-MFIFYNPPSA-N 327.424 2.281 0 1 EEAF C[C@@]12CCC[C@@]3(OC1=O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@@H]31)[C@@]1(CO1)C2 95635876 PXYCXLNQKAEBRB-KBJNCBKMSA-N 332.396 2.378 0 1 EEAF in-vitro Cc1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c1C 586928738 JEKQPZJVDZLUPR-UHFFFAOYSA-N 330.413 2.395 0 1 EEAF Cc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1F 586960001 URIACIPLGVOFMP-INIZCTEOSA-N 349.387 2.479 0 1 EEAF C[C@@H](C(=O)O)n1cccc1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963030365 NMIJRLJBWDGWDY-OAVHHTNSSA-N 339.395 2.276 0 1 EEAF C[C@H]1CCC[C@H](C)N1C[C@@H](O)COC[C@@H]1COc2ccccc2O1 11852164 QSWWVPTUDPLALI-MWDXBVQZSA-N 335.444 2.467 0 1 EEAF CNc1nc(Nc2ccc(-c3nnnn3C)cc2OC)ncc1Cl 169704322 QKXAPQQKFYTTDM-UHFFFAOYSA-N 346.782 2.114 0 1 EEAF O=C(c1cnccn1)N1CCC2(CC1)CCN(c1ccncc1)CC2 4238172 FECQHDAMMKDJOA-UHFFFAOYSA-N 337.427 2.394 0 1 EEAF CC(=O)[C@H]1[C@@H](c2ccccc2Cl)NC(=O)N[C@]1(O)C(F)(F)F 4278895 YGAIATAVOPJRDO-HOSYDEDBSA-N 336.697 2.150 0 1 EEAF Cc1cccc(Nc2nc(N[C@H]3CCCC[C@H]3N)cnc2C(N)=O)c1 4638466 JZTOUVBEZONDKA-KGLIPLIRSA-N 340.431 2.309 0 1 EEAF CC(C)c1nccc(C[C@@H]2[C@H](NC3CCCC3)C[C@H](O)[C@H]2CO)n1 2356288687 JFKHQKVSCUGXHT-FJIDUMEYSA-N 333.476 2.033 0 1 EEAF Cc1ccc(NC(=O)c2cc(=O)n(Cc3ccccc3)c(=O)[nH]2)cc1C 101953531 FWLIUNRUEGBRAE-UHFFFAOYSA-N 349.390 2.454 0 3 EEAF C[C@@H](NC(=O)c1ncn2c1c(O)nc1cccnc12)c1ccccc1 61922160 FMFZYQLSLQWVRB-LLVKDONJSA-N 333.351 2.474 0 3 EEAF C[C@H](c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCNCC1 26293779 WBQUFHUILUVRPB-OAHLLOKOSA-N 330.453 2.486 0 1 EEAF CC1=C2C(=C[C@]3(O)C(=O)CC[C@H](C)[C@@]3(C)[C@H]2OC(=O)C(C)C)OC1=O 2356390921 GUIUSCZLHIXZMW-RDDSEIMKSA-N 348.395 2.061 0 1 EEAF CCOC(=O)c1cn(C(C)(C)C)c2c(ccc3c2nnn3C)c1=O 66100705 DGLJHPAKJKHZNZ-UHFFFAOYSA-N 328.372 2.215 0 1 EEAF c1ccc2c(c1)c(N1CCN(C3CCCCC3)CC1)nn1nnnc21 20579885 NKXBDCCLFKXDKZ-UHFFFAOYSA-N 337.431 2.127 0 1 EEAF CC(C)(C)N1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1c1ccccc1 64510513 XSLNWRDEQFFZDW-KGLIPLIRSA-N 333.363 2.351 0 1 EEAF CO/C=C(/C(=O)OC)c1ccccc1CONC(=O)c1ccc[nH]1 71341715 IMEHAMQDZCBMBQ-SDNWHVSQSA-N 330.340 2.037 0 1 EEAF CN1CCN(Cc2ccc(Cl)cc2Cl)[C@H](C2=NCCN2C)C1 40656486 QGUQWUFXYGYVAK-HNNXBMFYSA-N 341.286 2.453 0 1 EEAF CN(C(=O)[C@@H]1CC[C@H](c2ccccn2)NC1=O)C(C1CC1)C1CC1 618013233 OHMAAFLDRCKORR-GDBMZVCRSA-N 327.428 2.296 0 1 EEAF CNC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587746187 YUDASAQZZCEYDR-CLAHSXSESA-N 329.213 2.474 0 1 EEAF COc1cc2c3c(c1)O[C@]1(C(=O)CC(=O)c4ccccc41)[C@@H](C2)C3=O 587447031 KEWRNAFOSNOJRY-XOBRGWDASA-N 334.327 2.494 0 1 EEAF CNS(=O)(=O)c1cc(-c2nc3c(C)cc(Cl)cc3[nH]2)n(C)c1 586947655 YIIFANBUDQGMIA-UHFFFAOYSA-N 338.820 2.438 0 1 EEAF CCOC(=O)CCOCCCOCCc1nc2cncc(C)c2[nH]1 587567148 FJFTWGIOMAYOLG-UHFFFAOYSA-N 335.404 2.185 0 1 EEAF CCOC(=O)Cc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1F 587368798 XFIWNEMSSOUZQT-UHFFFAOYSA-N 343.314 2.348 0 1 EEAF COc1ccc2c(c1OC)[C@]1(CC(=O)NC(C)(C)C1)N(C)[C@H](C)C2 962570050 MXSTXCMQWSOQJI-CWTRNNRKSA-N 332.444 2.464 0 1 EEAF CC(C)(C)OC(=O)N(O)[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)C1 5579318 YREGLQMLOYKNSK-VHSXEESVSA-N 334.380 2.128 0 1 EEAF COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCCN4CCC[C@H](O2)[C@H]4[C@@H]3[C@@H]1C 156173849 LXAQGNNSRKLTLE-QBFCQNLBSA-N 347.411 2.311 0 1 EEAF Cc1ccc2nc(C)c(C(=O)N3CCN(c4ccncc4)CC3)n2c1 1857750671 ZQTSTJHZWKINEM-UHFFFAOYSA-N 335.411 2.309 0 1 EEAF CCOc1nc2cnccc2n(CC(=O)Nc2cccc(C)c2)c1=O 9740152 CQVNFGHUYSJBRY-UHFFFAOYSA-N 338.367 2.137 0 3 EEAF COc1ccc(N(CC2CCCC2)C(=O)NC2=NC(=O)CS2)cn1 28330934 IUDYMNSBBGHWPR-UHFFFAOYSA-N 348.428 2.426 0 1 EEAF CN(C)Cc1cn(C[C@H]2CCCN(c3nccc4occc34)C2)nn1 23580903 MYHCBUAKFXPJBO-AWEZNQCLSA-N 340.431 2.398 0 1 EEAF CC=CC=CC(=O)O[C@@H]1CCCC[C@H](O)[C@H](O)[C@H](CCC)OC1=O 2356766028 FMVRTWDUGYFHPQ-MPTYRVRUSA-N 340.416 2.038 0 1 EEAF O=C1OCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 139688899 JNIVVJJEXRWWEH-UHFFFAOYSA-N 343.358 2.335 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C3 587557017 FJOQVAQYMRVHMI-DZGCQCFKSA-N 334.379 2.208 0 1 EEAF CN1CC[C@]2(CC1=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582852 OGZGAYLZGNGDNI-QFBILLFUSA-N 339.347 2.345 0 1 EEAF Oc1ncnc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 587120635 BQYUPUJEYJLPGZ-UHFFFAOYSA-N 338.171 2.486 0 1 EEAF COC(OC)[C@]1(C(C)C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963225386 JYVKOEBRQZZODY-QFBILLFUSA-N 344.411 2.304 0 1 EEAF C/C(=C\COc1ccc2ccc(=O)oc2c1)C[C@@H]1C=C(CO)C(=O)O1 15212012 NYBMIJVQEQCOLI-GXDWLZFVSA-N 342.347 2.352 0 1 EEAF Oc1ccc2c3c1O[C@H]1CCC[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 168575452 XBPQMXFKKJADMC-GJJHYRHESA-N 327.424 2.346 0 1 EEAF in-vitro Cc1cc2c[nH]nc2cc1-c1cc(N)cc2c(=N)c(C(N)=O)c[nH]c12 1857609059 BQYFWPASXCWLRL-UHFFFAOYSA-N 332.367 2.180 0 1 EEAF CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758480 PKTCEVHCHKHMSR-GOEBONIOSA-N 346.427 2.415 0 1 EEAF COc1nccc2[nH]nc(-c3ccnc(N4[C@H]5CC[C@@H]4COC5)c3)c12 114772899 CESUDVWCSKGNMX-BETUJISGSA-N 337.383 2.396 0 1 EEAF C[C@]1(CO)CC(=O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 2356681813 GXISQCNZGGOFKX-VVRJILRHSA-N 336.472 2.294 0 1 EEAF C[C@]1(CO)C[C@H](O)C[C@]2(C)C3=C(CC[C@H]12)[C@@H]1OC[C@@H](O)[C@]1(C)CC3 2356779031 JMVOKTZSCPYVLB-AAPLSDEASA-N 336.472 2.412 0 1 EEAF O=C(Cc1ccccc1)N1CCN(c2n[nH]cc2-c2ccncc2)CC1 75558043 IXMCJZIUGDDFQG-UHFFFAOYSA-N 347.422 2.363 0 1 EEAF CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](C)CN2 82212274 HFKWUUIPPWBJQN-GFCCVEGCSA-N 346.406 2.252 0 1 EEAF COCCCNc1nc(N2CCC(N3CCCC3)CC2)ncc1C 82203317 BDXYOPHAWIAWKL-UHFFFAOYSA-N 333.480 2.298 0 1 EEAF COC(=O)c1ccc2c(-c3ccnc(N[C@@H](C)CO)n3)c[nH]c2c1 299849855 FXJYMNJNZVGEME-JTQLQIEISA-N 326.356 2.204 0 1 EEAF COCCN1CCC(NC(=O)c2nc(C(C)C)n3ccccc23)CC1 653804984 JFRSXHPEVWYVGF-UHFFFAOYSA-N 344.459 2.298 0 1 EEAF Cc1nc(O)c(Br)cc1-c1ccc2c(O)nc(O)nc2n1 587366656 ONSACFVIWSZVKS-UHFFFAOYSA-N 349.144 2.275 0 1 EEAF CNS(=O)(=O)N1CCC(c2nc3ccc4c(c3[nH]2)CCCC4)CC1 586954945 BKPRNBHBCSPBNM-UHFFFAOYSA-N 348.472 2.085 0 1 EEAF C[C@H]1C[C@@H](NC(=O)c2c(O)n3ccccc3nc2=O)CC(C)(C)C1 16689972 OSRXXFRCXMOMHX-NWDGAFQWSA-N 329.400 2.345 0 3 EEAF CC(C)(C(=O)NCCOc1ccccc1)S(=O)(=O)c1ccccc1 1857609292 QFIQBFQPAQVKLM-UHFFFAOYSA-N 347.436 2.434 0 1 EEAF O=C1C[C@@H]2OC=C[C@@H]3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]46 2356384105 AVYUKZRROFQFPA-GBGGABQTSA-N 334.419 2.296 0 1 EEAF C[C@@H]1CCCCCCCCCC[C@H](O)[C@@H](O)[C@H](O)C=CC(=O)O1 2356472066 KECCBFYFEOTIBV-KYHPRHEASA-N 328.449 2.472 0 1 EEAF COC[C@@H]1CCN(c2nc3nonc3nc2NCc2cccs2)C1 39445566 PQVXSIDEHGAFQW-SNVBAGLBSA-N 346.416 2.159 0 1 EEAF CN1[C@H]2Cc3cc4c(cc3[C@]1(O)Cc1cc3c(cc12)OCO3)OCO4 38260360 ONEUXHSNVSOILA-IFXJQAMLSA-N 339.347 2.074 0 1 EEAF biogenic,in-vitro O=C(CNC(=O)c1coc(-c2cccs2)n1)NCc1ccco1 82084797 QWWDGPVKVMSHTI-UHFFFAOYSA-N 331.353 2.042 0 1 EEAF CC[C@@H](C)CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 45356897 VRPWEWJHLIPHQM-CJNGLKHVSA-N 344.459 2.014 0 1 EEAF CC(=O)SC[C@@H](C)C(=O)N1C[C@@H](Cc2ccccc2)C[C@H]1C(=O)O 40503452 OGZNUXCSEUPSEV-KCXAZCMYSA-N 349.452 2.447 0 1 EEAF O=C(N[C@@H](c1cccs1)C1CC(O)C1)C1(Cn2ccnc2)CC1 230508297 ANRPMRQJCXTOKR-SSDMNJCBSA-N 331.441 2.353 0 1 EEAF COc1ccccc1CCNCCCCN1C(=O)[C@H]2CCCN2C1=O 96933531 WLBCSRHNYJTWBY-MRXNPFEDSA-N 345.443 2.034 0 1 EEAF COc1cc(O)c2c(c1)O[C@@H](c1ccc(OC)c(O)c1)[C@@H](OC)C2=O 29037477 UMLUSIZQABTJOI-ROUUACIJSA-N 346.335 2.446 0 1 EEAF biogenic COc1ncccc1CN1C[C@H]2COC[C@@]2(COc2ccccn2)C1 299842906 KAZARJFEBMTGSI-QFBILLFUSA-N 341.411 2.013 0 1 EEAF C[C@H](C(=O)O)c1cc2c(O)nc(O)nc2nc1-c1ccccc1F 587368016 GJDBXRPTQNOTFH-ZETCQYMHSA-N 329.287 2.430 0 1 EEAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cc(C)on1 587639230 PPXIJXNGJFJHTH-UHFFFAOYSA-N 328.280 2.180 0 1 EEAF CCS(=O)(=O)NCCCc1nc2ccc(OC(C)C)cc2[nH]1 586943579 FLHDVBHDVGNIMX-UHFFFAOYSA-N 325.434 2.222 0 1 EEAF O=C1c2ccc(O)cc2OC2(CS(=O)(=O)C2)[C@H]1c1ccc(F)cc1 587373880 JNZOPUKIXGEKGC-HNNXBMFYSA-N 348.351 2.057 0 1 EEAF COc1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cn1 587226246 XKZRWYFDYKFQIG-NSHDSACASA-N 326.356 2.050 0 1 EEAF CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCOCC(=O)O 13585542 PQSRQHHMLDHYBU-OZVGAOPWSA-N 341.448 2.356 0 1 EEAF CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ncccc1O 13746085 LVAXCYAGEXHOKJ-DEOSSOPVSA-N 342.424 2.347 0 1 EEAF CCN=c1[nH]cc2c(=O)n(-c3ccc(OC(F)(F)F)cc3)cc-2[nH]1 1857618796 RRUXTFLWFYWPGR-UHFFFAOYSA-N 338.289 2.418 0 1 EEAF CO[C@@H]1C=C[C@](C)(O)CCC(=O)O[C@H](C)[C@H](C)CCC=C1CO 2356320461 JCTFLSMEBFVVHP-SZXPJGKVSA-N 326.433 2.369 0 1 EEAF O=C(c1nc(-c2cccnc2)no1)N1CCN(Cc2ccccc2)CC1 20902338 MLLGOWLKUAAMTO-UHFFFAOYSA-N 349.394 2.090 0 1 EEAF Nc1ccc(C2=NNC(=O)Cc3cc4c(cc32)OCCO4)cc1Cl 28566558 DEWIZYUNPVSWTP-UHFFFAOYSA-N 343.770 2.118 0 1 EEAF C=CSSC(=CN(C=O)Cc1cnc(C)nc1N)CCO 6494188 DXZBFWCUTNVBHB-UHFFFAOYSA-N 326.447 2.074 0 1 EEAF biogenic FC(F)(F)c1ccc(-n2ccnc2-c2cc3n(n2)CCNC3)cn1 72428937 JKDNFCXDLJDXHE-UHFFFAOYSA-N 334.305 2.253 0 1 EEAF CC(C)n1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@H](C)CN2 82224524 VGVWMJWCXUMDHN-GFCCVEGCSA-N 348.447 2.486 0 1 EEAF NC(=O)c1cccc2c1C(=O)N(CCN1CCCc3ccccc31)C2 143624982 WGTJWDKKJAQXMI-UHFFFAOYSA-N 335.407 2.194 0 1 EEAF CC(=C/CO)/C=C/[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)[C@@H](O)[C@@]1(C)O 257532772 RMAJUEUHZWCNQM-FONKYGLQSA-N 338.488 2.416 0 1 EEAF endogenous,in-man COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(C(O)O)[C@@H](C2)C3=O 587422239 XRJAHFQPRCIKPO-UGSOOPFHSA-N 346.766 2.302 0 1 EEAF N=c1[nH]c2nc(/C=C\C(=O)Nc3ccc(F)cc3)nc-2c(Cl)[nH]1 587166264 ATSACPSQPCIETD-WAYWQWQTSA-N 332.726 2.161 0 1 EEAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c[nH]c(=N)[nH]c-2n1 587235035 CMBRWBUEKWJYNB-NXEZZACHSA-N 332.408 2.268 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C3 587559535 ZQVBDUXTGWEZSN-LSDHHAIUSA-N 348.406 2.283 0 1 EEAF CC1C[C@@H]([C@H](O)c2ccccn2)C(=O)[C@@H]([C@@H](O)c2ccccn2)C1 13147504 AHKMRDPUGQRUPR-VARUWNMDSA-N 326.396 2.475 0 1 EEAF CN1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](C2=NCCN2)C1 169306742 QFCJEMBKXJNJTL-CQSZACIVSA-N 327.259 2.111 0 1 EEAF COC(=O)c1cc(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2[nH]1 169314556 LWLZDXYXVGBKDC-UHFFFAOYSA-N 343.360 2.148 0 1 EEAF O=S(=O)(NCc1ccccc1)c1ccc2c(c1)CN[C@@H](CF)C2 13517563 BYMUUJOFYVSRBW-MRXNPFEDSA-N 334.416 2.149 0 1 EEAF C[C@@H]1C(=O)[C@]23[C@@H](O)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]3O 2356405006 DGJOOPBLQWTUNK-XHSIXOLCSA-N 336.472 2.147 0 1 EEAF CCCC[C@H](Nc1cc(NC(=O)OCC)nc(N)c1N)[C@H](C)O 27199943 CTOKUTKEJKJNFE-UWVGGRQHSA-N 325.413 2.166 0 1 EEAF CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@@H]1CNCC(OC)OC 29128194 KGCAQBRBCVWBSF-VQIMIIECSA-N 334.460 2.021 0 1 EEAF Cc1c(O)ccc2c(O)c(NC(=O)c3ccc(O)cc3)c(=O)oc12 2356830383 JHOUKDDIOBEXCA-UHFFFAOYSA-N 327.292 2.471 0 1 EEAF CC[C@H](CO)Nc1ccc2ncc(-c3ccc(C(=O)O)cc3)n2n1 33943568 KKZYGUVAFJCULH-CYBMUJFWSA-N 326.356 2.277 0 1 EEAF in-vivo O[C@@H]1C[C@H]2CC[C@@H]3N4CCC[C@@H]5CCC[C@H]([C@@H]54)[C@H]4OC[C@H](C1)[C@@H]2N43 147309217 QGSCHHAXALLULW-UPBDHPHQSA-N 332.488 2.415 0 1 EEAF NC(=O)c1cccc2[nH]n(C3CCN(C4CCCCC4)CC3)c(=O)c12 146720256 XEWGITPSXRGTBO-UHFFFAOYSA-N 342.443 2.398 0 1 EEAF COc1ccc(N2C=C(c3ccccc3)[C@H]3C(NN)=NC=N[C@H]32)cc1 98082678 DQOHQIHEAVWGFL-HKUYNNGSSA-N 333.395 2.402 0 1 EEAF CCN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1 95552523 XXRBKXPDOWVDBI-CYBMUJFWSA-N 332.853 2.251 0 1 EEAF Cc1cccc(S(=O)(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)c1 263590392 XODLTFCYMNEQEQ-SJORKVTESA-N 342.420 2.419 0 3 EEAF Oc1cc(O)nc(SCc2nc3cc(C(F)(F)F)cnc3[nH]2)n1 586966245 BZLCBGMIXNENQV-UHFFFAOYSA-N 343.290 2.470 0 1 EEAF COc1ccc2c(c1OC)[C@@]1(CC(=O)NC(C)(C)C1)N(C)[C@@H](C)C2 962570047 MXSTXCMQWSOQJI-BUXKBTBVSA-N 332.444 2.464 0 1 EEAF COc1ccnc(C[S@](=O)c2nc3cc(CO)ccc3[nH]2)c1C 13603878 UQVNUDISXFZEHZ-HSZRJFAPSA-N 331.397 2.075 0 1 EEAF O=C1CC[C@@]23Cc4ccc(O)cc4[C@]2(CCN(CC2(O)CC2)C3)C1 101424201 HIXLAMQESUHGDK-ICSRJNTNSA-N 327.424 2.156 0 1 EEAF CCS(=O)(=O)c1nnc(NC(=O)c2ccnc3ccccc23)s1 103294935 CQMWHPQCBIFRAG-UHFFFAOYSA-N 348.409 2.132 0 1 EEAF COC(=O)c1ccc(N)c(NC(=O)c2ccc(NC(C)=O)cc2)c1 29126816 USGRIUSMCZTAOG-UHFFFAOYSA-N 327.340 2.266 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45c6ccccc6N[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)OC 2356495698 BDXYPHKGNUGUFG-LTIDKFJVSA-N 338.407 2.246 0 1 EEAF COc1cc2c(cc1OC)[C@@]13CCN(C)[C@@H](C2)[C@@H]1CC(=O)[C@H](OC)C3 2356594487 UVQNELLAYVUQEY-QPAVJXABSA-N 345.439 2.196 0 1 EEAF O=C1NCC(=O)N(Cc2ccco2)[C@H]1CSCc1ccccc1 71281294 QJJZVHDZNQVNQM-HNNXBMFYSA-N 330.409 2.040 0 1 EEAF COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2OC(C)=O)cc1 14728231 XSDXQNVJNSCZNC-QZTJIDSGSA-N 344.319 2.355 0 1 EEAF biogenic COc1cc(C(=O)N(C)C)cc(C=O)c1C(=O)c1c(C)cccc1O 49126256 ZHESVBGIZQSOLH-UHFFFAOYSA-N 341.363 2.455 0 1 EEAF O=C([C@H]1C[C@H]2OCC[C@@H]2N(CCc2ccccc2)C1)N1CCCCO1 299843708 WVTXFYGWTKWPMP-GBESFXJTSA-N 344.455 2.263 0 1 EEAF COc1cccc(OC)c1-c1ccnc2cc(CC(=O)N(C)C)nn12 299850253 UKLBXBRLAKWLEW-UHFFFAOYSA-N 340.383 2.044 0 1 EEAF N[C@@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)C[C@@H]1c1ccccc1F 587153775 CSKMJKNBWGPYSM-BZNIZROVSA-N 347.371 2.290 0 1 EEAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(Cl)nccc3[nH]2)o1 586931557 YKNKUKLINUSKJW-UHFFFAOYSA-N 326.765 2.122 0 1 EEAF CCOc1ncccc1CNC(=O)Nc1cc2[nH]nc(OC)c2cn1 1772657285 MWFZYMXXVJEJCS-UHFFFAOYSA-N 342.359 2.082 0 1 EEAF O=C1CC(C[C@@H](O)[C@@H]2CCCC[C@@H]2O)CC(=O)N1c1ccccc1 5539406 MMFRIPIYQJMEFA-IXDOHACOSA-N 331.412 2.258 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Cl 169300486 ATWGPAAGZWQRJW-WCLYBPTNSA-N 342.782 2.038 0 1 EEAF CC(C)(C)c1ccc(OC[C@H](O)Cn2cnc3c(N)ncnc32)cc1 169318236 KALNBTBYJVKHRW-CYBMUJFWSA-N 341.415 2.146 0 1 EEAF O=C(c1cccnc1)N1C[C@@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356299054 UJXMIEABBDLNOY-CZUORRHYSA-N 340.358 2.337 0 1 EEAF CCO[C@@H]1C=C[C@]23c4cc5c(cc4[C@H](OC)O[C@@H]2CN[C@H]3C1)OCO5 2356306213 HIRWMWMVHFIAHG-QWCLJVIDSA-N 345.395 2.034 0 1 EEAF Cc1cccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)c1 3931615 VDJKUOJXTDRTKV-UHFFFAOYSA-N 330.365 2.053 0 1 EEAF CCOc1ccc(OCC)c(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 4187969 FYKKYJCPDCPXTN-QXSJWSMHSA-N 347.367 2.077 0 1 EEAF NC1=NN=C(N)C1[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 53166938 FYGHCZQNDKHGLR-CQSZACIVSA-N 334.379 2.018 0 1 EEAF CCN(CC)C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12 103262437 PYGURBRUNSVSMZ-UHFFFAOYSA-N 339.399 2.424 0 1 EEAF CN1[C@H]2CC[C@H]1CC(NC(=O)c1c(O)nc3ccccc3c1O)C2 100759214 QPDWXLFUGFTREK-RYUDHWBXSA-N 327.384 2.001 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NCCC12C[C@@H]3CN(C[C@@H]3C1)C2 26262906 RFEQSKAUTOGPGV-HWRGOXINSA-N 349.862 2.393 0 1 EEAF COc1cccc(CC(=O)N2CCc3cccc4c3[C@@H]2CNC4=O)c1 45339740 DCGBIYGHABWOMG-KRWDZBQOSA-N 336.391 2.107 0 1 EEAF COc1cc2nc(N3CCCC3)nc(NC[C@H](C)O)c2cc1OC 82128852 HZIIKCNXOJCKQM-NSHDSACASA-N 332.404 2.040 0 1 EEAF CN1C(=O)[C@@]2(CC(C)(C)Cc3ccc(-c4cncnc4)cc32)N=C1N 95603532 UPOMBIAVTOFWMY-IBGZPJMESA-N 335.411 2.098 0 1 EEAF CCOC(=O)[C@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436027 MFLSNUHJPNZILG-YJYMSZOUSA-N 339.347 2.296 0 1 EEAF COc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1F 586931321 QVOFWYDVCDAHEX-UHFFFAOYSA-N 339.348 2.221 0 1 EEAF Nc1ncnc2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 587167077 HHCDRNXBMCCKJR-NSHDSACASA-N 341.350 2.443 0 1 EEAF C[C@@]1(c2nonc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573463 BXYPRSIYUFSSOX-YVEFUNNKSA-N 339.307 2.234 0 1 EEAF COc1cc2nc(-c3ccc(CS(N)(=O)=O)cc3)[nH]c2cc1OC 586931036 ZQBSAJAPFLEZTQ-UHFFFAOYSA-N 347.396 2.036 0 1 EEAF CCOC(=O)[C@H](CC(C)=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444004 XVJWDYYHCSRLFK-TYILLQQXSA-N 346.379 2.360 0 1 EEAF CCOC(=O)NCCCn1c2c(c3ccccc31)C(=O)NCCC2 1772624566 FQIMGJDLFVKXOB-UHFFFAOYSA-N 329.400 2.454 0 1 EEAF CCOc1n[nH]c2cc(NC(=O)N[C@H](CO)c3ccccc3)ncc12 1772635545 DULAOXDKSBIUGA-CQSZACIVSA-N 341.371 2.212 0 1 EEAF CC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(C)c1Cc1ccccc1 13776358 AERCCFISDKLAIV-AWEZNQCLSA-N 337.427 2.297 0 1 EEAF NC1=N[C@@]2(c3ccccc3)CN(c3ncc(F)cn3)C[C@H]2CS1 169703442 YHSXBJMLHVWBGE-BLLLJJGKSA-N 329.404 2.009 0 1 EEAF CNC(=O)Nc1c(OCCN(C)C)c(OC)c2occc2c1OC 29408911 MTPXQJYDYWYMNG-UHFFFAOYSA-N 337.376 2.142 0 1 EEAF C[C@@]12CC[C@](C)(O1)[C@@H]1C(=O)N(c3c(N)ccc4ncsc34)C(=O)[C@@H]12 101162429 WEVBOOVUWCNCML-YNHQPCIGSA-N 343.408 2.326 0 1 EEAF O=C(S[C@@H]1CC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 27412646 COEUELRPLOMUMC-HZSPNIEDSA-N 333.409 2.414 0 1 EEAF NS(=O)(=O)c1ccc(-c2nnc(CCc3ccccc3)o2)cc1 1911583477 DTPINYMQBVVTHX-UHFFFAOYSA-N 329.381 2.169 0 1 EEAF COc1ccc(CNc2nc(N(C)CCN(C)C)ncc2C)cc1 82202325 KOPIQFCZTCFZHZ-UHFFFAOYSA-N 329.448 2.404 0 1 EEAF Cc1nc(C(=O)N(C)[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)co1 299850362 BFWUBNAJWFRTAE-BRWVUGGUSA-N 330.384 2.416 0 1 EEAF COc1ccc2c(c1)CC[C@](N)(c1nc3cnc(Cl)[nH]c-3n1)C2 587247715 XSBWFNSBRFTCTJ-MRXNPFEDSA-N 329.791 2.309 0 1 EEAF NS(=O)(=O)c1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1 587089701 GJSRKHGBODYISZ-QMMMGPOBSA-N 331.678 2.134 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(=O)O)cc2[nH]1 587232323 WSXQJMNDPXFJNK-OLZOCXBDSA-N 345.399 2.298 0 1 EEAF Nc1ncnc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 587167076 HHCDRNXBMCCKJR-LLVKDONJSA-N 341.350 2.443 0 1 EEAF C[C@@H](Oc1ccc2c(c1)OCO2)c1ccc2c(O)nc(O)nc2n1 587562592 GZOBGDRQUTVPPT-MRVPVSSYSA-N 327.296 2.305 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1cnc(SC)nc1N)[C@@H](C2)C3=O 587452286 NZPRUVYQKIOWMZ-DYZYQPBXSA-N 343.408 2.452 0 1 EEAF CN1CCN(C[C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)CC1 962701056 JHHRAEGIQGWPKH-KXBFYZLASA-N 349.519 2.478 0 1 EEAF COc1ccc2c(c1)C[C@]1(C2)N[C@H](C(=O)O)Cc2cccc(F)c21 962905382 PNLKBOJPDRKNST-LPHOPBHVSA-N 327.355 2.427 0 1 EEAF [C-]#[N+]c1ccc(N2CC[C@H](OC(=O)N3CCN(C(C)C)CC3)C2)nc1 1772628239 TUUSBZUKUHQKJI-INIZCTEOSA-N 343.431 2.374 0 1 EEAF Cc1ccccc1OC[C@@H](O)CNCC[S@@](=O)c1ccccc1 169332221 TULFHTJOLUPJCH-QMHKHESXSA-N 333.453 2.132 0 1 EEAF C[C@H](NCc1ccco1)C(=O)N1CCN(c2ccc(F)cc2)CC1 201467486 WSDUCNZJBUJOOK-AWEZNQCLSA-N 331.391 2.246 0 3 EEAF N#CN1CC[C@@H](NC(=O)c2ccc(-c3ccc4nccn4c3)cc2F)C1 1857581140 AWMVVXDSHOIHJI-OAHLLOKOSA-N 349.369 2.426 0 1 EEAF O=C1COc2ccc(F)cc2N1Cc1cn(Cc2ccccc2)nn1 1857628094 APUCTBMFWAARPW-UHFFFAOYSA-N 338.342 2.391 0 1 EEAF CC1(C)[C@@H](C(=O)NCCCN2CCOCC2)[C@H]1c1ccc(F)cc1 1857642380 MBVYHIXMRGJYRI-IAGOWNOFSA-N 334.435 2.404 0 1 EEAF CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1 1044116 HRILLCCOHQOIEL-UHFFFAOYSA-N 333.232 2.334 0 1 EEAF CC(=CC=C[C@H](C)C=CCC(C)C)[C@H]1[C@H](O)[C@@H](O)C(CO)=C[C@H]1O 2356452479 RLFDVGHDISQUKQ-SBUWESJJSA-N 336.472 2.359 0 1 EEAF CC1(C)C[C@@]12NC(=O)N(NC(=O)c1ccc(C(F)(F)F)cc1)C2=O 66252219 KEKLRKPHUHUDKR-AWEZNQCLSA-N 341.289 2.071 0 1 EEAF CCOC(=O)c1nc2c(=O)[nH]c3ccc(Cl)c(Cl)c3n2n1 27320114 KEJJWXVOYZCLJF-UHFFFAOYSA-N 327.127 2.054 0 1 EEAF O=C(CN1CCCCC1)N/N=C1\C(=O)Nc2ccc3ccccc3c21 31847568 RBUGQZVWYTWLLE-UHFFFAOYSA-N 336.395 2.098 0 1 EEAF COc1ccc(C[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 38152938 VMIULRDTCDINSV-YOEHRIQHSA-N 331.412 2.361 0 1 EEAF OC[C@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2 40913923 KZPYCWJXCIGRQW-XRXFAXGQSA-N 341.451 2.354 0 1 EEAF Cc1ccccc1-c1nc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)co1 82069095 JIVVTPAVYCRYAT-MRXNPFEDSA-N 349.390 2.476 0 1 EEAF O=C(NCCO)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143270791 PXAXXXNJLZLPTN-MRXNPFEDSA-N 337.297 2.187 0 1 EEAF Cc1onc(-c2ccc(F)cn2)c1COCc1ccc(C(N)=O)cn1 143456816 RBCAYAXNUDHBOR-UHFFFAOYSA-N 342.330 2.395 0 1 EEAF O=S1(=O)C[C@@H]2c3ccc(F)cc3CN2CN1Cc1ccccc1 263590445 GSVJFTBCJJWWMT-QGZVFWFLSA-N 332.400 2.486 0 3 EEAF CNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 621476402 NVZOZLHZGRHWBC-QMMMGPOBSA-N 331.199 2.297 0 1 EEAF O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@@H]2N(Cc2ccsc2)C1 299842645 IBZQCHPQWQESDO-SOUVJXGZSA-N 344.440 2.156 0 1 EEAF Nc1nccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587006903 DFYWIFNHIXTMEX-UHFFFAOYSA-N 329.161 2.617 0 1 EEAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccccc1OC)[C@@H](C2)C3=O 587445179 ZSCQXNVLQFQWNT-DJJJIMSYSA-N 340.331 2.431 0 1 EEAF Oc1nc(O)c2ccc(-c3ncc(F)cc3Br)nc2n1 587370193 VLYHFASGNWVZFT-UHFFFAOYSA-N 337.108 2.400 0 1 EEAF CN1CCc2c(Br)cccc2[C@@]1(C(=O)O)C(C)(C)CO 963271954 YLYHSJPMWNYVEI-OAHLLOKOSA-N 342.233 2.235 0 1 EEAF CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ncccn1 13746255 QGLFIEUKLIOCPQ-HSZRJFAPSA-N 327.413 2.036 0 1 EEAF Cc1nc2c(s1)CCN(C(=O)c1cc3ncc(Cl)cn3n1)CC2 150224417 WOOXFLPCMNOANB-UHFFFAOYSA-N 347.831 2.389 0 1 EEAF COc1ccc(N=c2[nH]c(=NCCCCO)[nH]cc2F)cc1Cl 1857558355 WZWPPFUQJPOXGQ-UHFFFAOYSA-N 340.786 2.050 0 1 EEAF C[C@H]1CCC[C@H](CCN2C(=N)NC[C@@H]2CCCCN2CCNC2=N)C1 1857751247 DWNKCFMABVEJRS-BBWFWOEESA-N 348.539 2.422 0 1 EEAF Cc1ccc2nc(CO[C@H]3CN(Cc4ncc[nH]4)C[C@@H]3F)[nH]c2c1 2356300367 UPQTUWIJCLCUEA-WFASDCNBSA-N 329.379 2.334 0 1 EEAF CC(=O)NCCNc1ncnc2ccc(-c3c(C)noc3C)cc12 4265099 NVXJZNVCLABHOV-UHFFFAOYSA-N 325.372 2.450 0 1 EEAF C[C@@H]1CC[C@]2(CO)C(CO)=CCC[C@@H]2[C@@]1(C)CCC(=CCO)CO 2356616920 KZBUOBLJHGAMHA-XCLNPWKQSA-N 338.488 2.421 0 1 EEAF COc1ccc(C=CC(=O)NC[C@@H](O)c2ccc(OC)c(O)c2)cc1 2356648639 KRCDWJIBLHXTBK-QGZVFWFLSA-N 343.379 2.272 0 1 EEAF CC(=O)O[C@@H]1C[C@H]2C=CC[C@H](O)[C@@H](C)C(=O)Nc3cc(O)cc1c3O2 2356808035 YJSOUILKFKROBD-IPNIYZGQSA-N 347.367 2.043 0 1 EEAF Cc1cnc(NC(=O)CN2CCN(c3ccccc3F)CC2)s1 36058336 KKRAAXTUHLXHRU-UHFFFAOYSA-N 334.420 2.351 0 3 EEAF CCOC(=O)c1c(C)oc2cc(OC)c(OS(=O)(=O)O)cc12 43061320 XASHOZCVRYUXIA-UHFFFAOYSA-N 330.314 2.108 0 1 EEAF COc1cc(C(=O)[C@H]2CN=C3C=CC=CN3C2)cc(OC)c1OC 49803384 HTBBFYGSKOOECL-ZDUSSCGKSA-N 328.368 2.309 0 1 EEAF O=C(NN1C(=O)CCS[C@@H]1c1ccc(O)cc1)c1ccncc1 84602731 AIUPJWZQSJTDQE-MRXNPFEDSA-N 329.381 2.096 0 1 EEAF Cc1n[nH]c(C)c1CC(=O)N[C@H](Cc1ccccc1)C1CC(O)C1 230482054 ZSPIXHAWXXFTTD-LEOMRAHMSA-N 327.428 2.067 0 1 EEAF CCN1CCO[C@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CC[C@@H]2C1 299842657 IGXUNFYQPNFTDJ-AEFFLSMTSA-N 327.428 2.351 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnnn2C)N1 587758398 ITMMGBUIKDYQQG-FUXBKTLASA-N 325.185 2.340 0 1 EEAF Cn1cc(-c2ncc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)s2)cn1 587021578 MGXYZFVKTDIWCI-UHFFFAOYSA-N 349.383 2.063 0 1 EEAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cnncc3[nH]2)cc1 586940165 WIOWABCUCYPKNX-JTQLQIEISA-N 331.401 2.097 0 1 EEAF CC(C)(C)OC(=O)N1CCCc2cc3c(O)nc(O)nc3nc2CC1 587557973 NQWMQBFRASTBJK-UHFFFAOYSA-N 346.387 2.162 0 1 EEAF CC1=C[C@H](O/C=C2\C(=O)O[C@@H]3[C@@H]2C=C2CCCC(C)(C)[C@@]23O)OC1=O 13310303 FIKOOQXJBAJJSE-RYTSVUQVSA-N 346.379 2.139 0 1 EEAF endogenous,in-man COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCCO)cc1 2480991 WIRWUJHVULHMFV-UHFFFAOYSA-N 328.324 2.332 0 1 EEAF COC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCSCC1 4337430 HMHPERNULMFPHQ-UHFFFAOYSA-N 347.440 2.332 0 3 EEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(C3=NC(C)(C)CO3)cc21 28246721 HTBDROLSWCIUHC-UHFFFAOYSA-N 332.331 2.414 0 1 EEAF CC1=C[C@H]([C@@H](O)C(C)=CCOc2ccc3ccc(=O)oc3c2)OC1=O 2356568318 JYYSLADUUKHTSY-AEFFLSMTSA-N 342.347 2.351 0 1 EEAF COCCCc1ccc(C[C@H]2C=C(C)[C@@H](O)C[C@@H]2[C@@](C)(O)CO)cc1 85510783 JOGIUBBUBJODJZ-ANULTFPQSA-N 348.483 2.495 0 1 EEAF biogenic,in-vitro CO[C@H]1CC(=O)N[C@H]2CC[C@H]3[C@@H]4CC[C@H](C(N)=O)[C@@]4(C)CC[C@@H]3[C@]21C 299819487 AXHBIEPEDODFJJ-LHVDAZELSA-N 348.487 2.234 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(=O)O)nc1)[C@@H](C2)C3=O 587436458 RKDYCQKIJVJZAC-SGTLLEGYSA-N 325.320 2.451 0 1 EEAF CCOC(=O)[C@@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 587395860 VEDNOEHXFHLSHT-SFHVURJKSA-N 326.352 2.396 0 1 EEAF CCCCNS(=O)(=O)c1ccc2[nH]c(/C=C/C=C\C(=O)O)nc2c1 587967672 IHDATORMPBQJRN-GUBXDBFYSA-N 349.412 2.295 0 1 EEAF Cc1c(F)ccc2c1[C@@]1(CS(=O)(=O)N(C)c3ccccc31)NCC2 962149465 WBBLZZOAQSQPGV-SFHVURJKSA-N 346.427 2.303 0 1 EEAF O=C(c1cncc(N2C[C@@H]3C[C@H](C2)N3)c1)N1CCCc2ccccc21 1857608723 XMYWPQXQUQJAEN-CALCHBBNSA-N 334.423 2.225 0 1 EEAF CCc1[nH]c(=O)n(C(C)=O)c1C(=O)c1ccc(-n2ccnc2C)cc1 2485 AQUDUZCNPHLPPA-UHFFFAOYSA-N 338.367 2.124 0 1 EEAF O=C(NC[C@H]1CCCO1)[C@H]1c2ccccc2C(=O)N1Cc1ccco1 427242 IOGPNAUETBLASO-CXAGYDPISA-N 340.379 2.272 0 1 EEAF COCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1 8582517 ZQRBUTJUUSIKNJ-UHFFFAOYSA-N 343.408 2.160 0 3 EEAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@H]1C/C=C\CC(=O)O 27641303 IDKLJIUIJUVJNR-VFJZTLKXSA-N 326.433 2.263 0 1 EEAF in-man CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@H]1CC[C@@H]1C[C@H]3[C@@H](O)[C@]12CC[C@]3(C)O 2356371760 PLILJVFREJTXNY-ZPSABHGJSA-N 338.488 2.083 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@H]([C@H](C)O)C[C@H](C1)[C@H]23 2356781307 AYINTZJVMWGZAN-KPLPHSCVSA-N 340.423 2.024 0 1 EEAF COCc1cc([C@H](O)CN[C@H](C)Cc2ccc(O)cc2)ccc1O 39238209 HPLAQRGSSDBWBB-BFUOFWGJSA-N 331.412 2.498 0 1 EEAF CC(=O)O[C@@H]1C=CC=C(COC(=O)c2ccccc2)[C@H]1OC(C)=O 14489402 QKUQVZOCGPQPCS-IAGOWNOFSA-N 330.336 2.203 0 1 EEAF biogenic Nc1nc(NCc2ccccc2)nc2c1[N+]([O-])=C(c1ccccc1)C2=O 45340330 NBCZTZXRVZAATF-UHFFFAOYSA-N 345.362 2.498 0 1 EEAF CCCn1c(=O)c2[nH]c(-c3cccs3)nc2n(CCCOC)c1=O 43120128 FYRAGJOONUWMHE-UHFFFAOYSA-N 348.428 2.061 0 1 EEAF CC(=O)c1cc2oc([C@@](O)(CO)COC(=O)C=C(C)C)cc2cc1O 238770673 ZOKBBVDKDDRVQX-GOSISDBHSA-N 348.351 2.030 0 1 EEAF COc1cncc(-c2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)n1 96907169 FBAQNBBLQHZCSK-KBPBESRZSA-N 349.394 2.099 0 1 EEAF N=C(N)Nc1ccc(CCc2ccc(NC(=O)CCCN)cc2)cc1 95597545 MNONJZSNFQWRAI-UHFFFAOYSA-N 339.443 2.455 0 1 EEAF Cc1csc([C@@](O)(Cc2nc3cncnc3[nH]2)C(F)(F)F)n1 587093477 FHBOJLKHSCZKBI-NSHDSACASA-N 329.307 2.110 0 1 EEAF Oc1cccc([C@H](O)c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 586893802 WRLPCQYKDFKPSE-SFHVURJKSA-N 339.395 2.182 0 1 EEAF Cc1[nH]ncc1-c1cc2nc(C34CCC(CC3)N4)[nH]c(=O)c2s1 145153311 BCWPQKADGZOWMA-UHFFFAOYSA-N 327.413 2.424 0 1 EEAF CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ccc(N)cn1 13746121 UYUVDDBKHOYPAN-DEOSSOPVSA-N 341.440 2.223 0 1 EEAF CC(=O)N1CC[C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)CC[C@H]2C1 15673145 LRBDRDUJRAKGKO-HOTGVXAUSA-N 344.411 2.022 0 1 EEAF biogenic O=C(O)C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1 13195571 DAJJXHRMJCRACT-CQSZACIVSA-N 341.335 2.459 0 1 EEAF Cc1cc(-c2ccccc2)n(-c2cc(N3CCN(C)CC3)ncn2)n1 102157 ONLVOGBPLQJFBS-UHFFFAOYSA-N 334.427 2.390 0 1 EEAF NC[C@@H]1C[C@@]1(C(=O)[C@@H]1NCc2ccccc21)c1ccc2c(c1)OCO2 29047606 JMLINUIVZHMJBT-BOUXLOLZSA-N 336.391 2.045 0 1 EEAF COc1ccccc1C(=O)c1sc2[nH]c(=O)c(C(=O)O)cc2c1N 28902840 LYIQJDGBHMLROM-UHFFFAOYSA-N 344.348 2.110 0 1 EEAF COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccco2)[C@H]1c1ccccc1 110810925 LGZITMZUYQSSKR-HZPDHXFCSA-N 341.363 2.268 0 1 EEAF CCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1 115624043 KEKYUFPAVIEKLI-UHFFFAOYSA-N 337.383 2.364 0 1 EEAF CC(C)(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(C2CC2)n1 2356574467 AKPUQTLELMMLOB-XDNAFOTISA-N 347.503 2.280 0 1 EEAF CC(C)[C@H](N1CCOCC1)C(O)(c1cccnc1)c1cccnc1 38278222 BOEKOZVTAVMFTP-SFHVURJKSA-N 327.428 2.069 0 1 EEAF COC(=O)C[S@](=O)C[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 36271486 SVDJATZZTSSCDA-XUHFEKCNSA-N 343.876 2.297 0 1 EEAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)N2CCOCC2)N3C)cc1 219687346 SAGKYUWOOFCCBT-XWSJACJDSA-N 328.456 2.420 0 1 EEAF Cc1cc(F)ccc1OCc1cc(C(N)=O)cc(N2CCOCC2)n1 40896894 NVHHPSXYWLJSOC-UHFFFAOYSA-N 345.374 2.044 0 1 EEAF CCN(Cc1ccncc1)c1cc(-c2c(N)nn3cccnc23)ncn1 45254199 XTSLTQZNZBRQCY-UHFFFAOYSA-N 346.398 2.190 0 1 EEAF Cn1nnnc1Sc1ncnc2c1ncn2CC1CCCCC1 98083129 BURFOHKKVLQAEP-UHFFFAOYSA-N 330.421 2.081 0 1 EEAF Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(OC[C@H]2CO2)cc1 587563282 QSZLTGUENNMBFY-AWEZNQCLSA-N 339.351 2.113 0 1 EEAF CN(Cc1nc2cc(F)cnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170052 NBTUGJDAJLFDOM-UHFFFAOYSA-N 338.339 2.057 0 1 EEAF C[C@H]1CN(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)C[C@H](C)O1 587655122 SDZTYHGMXUWHGS-RYUDHWBXSA-N 349.818 2.189 0 1 EEAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cnncc2[nH]1 586974905 XSQMRYZSHTYPJG-HNNXBMFYSA-N 327.413 2.464 0 1 EEAF COC(=O)[C@@H]1c2c(nc3cccc4c3c2CC4)CC[C@H]1C(=O)OC 587214150 MHWBYGXKJIORKA-PXAZEXFGSA-N 325.364 2.325 0 1 EEAF CCOC(=O)[C@]1(c2ccsc2)NCCc2c(C(=O)O)cccc21 963129949 HLYRAQABVSDQFH-QGZVFWFLSA-N 331.393 2.399 0 1 EEAF COc1cc(OC)c([C@H](OC(C)=O)[C@H](C)OC(C)=O)cc1OC 14817946 XGAOQHXEUYLUCB-XXFAHNHDSA-N 326.345 2.268 0 1 EEAF biogenic O=C(O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1)N1CCOCC1 205712627 QCVYFMXHFREXPK-RLFYNMQTSA-N 336.432 2.169 0 3 EEAF O=c1c2ccccc2nnn1Cc1cc[n+](Cc2ccccc2)cc1 1857540365 NLGJTYWLSAKIEM-UHFFFAOYSA-N 329.383 2.176 0 1 EEAF CN(C)CCN(C)N(Cc1ccncn1)[C@H]1CCCc2cccnc21 1857639756 GVSCHAAKHKSNHD-SFHVURJKSA-N 340.475 2.160 0 1 EEAF CN(C)CCC(=O)Nc1n[nH]c2ncc(-c3ccc(O)cc3)cc12 1857645641 YRGAIUONWSYHSJ-UHFFFAOYSA-N 325.372 2.221 0 1 EEAF O=C(c1nc(-c2cccnc2)no1)N1CCN(C2CCCCC2)CC1 21526339 PEFVQFFVERRUTM-UHFFFAOYSA-N 341.415 2.222 0 1 EEAF COC(=O)[C@@H]1[C@H]2[C@@H]3C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@H]34 2356558446 AIOHHTSDUPUMNK-KTNHCDOESA-N 336.435 2.418 0 1 EEAF Cc1cccc(OC[C@@H]2CCCN(C(=O)Cn3ccccc3=O)C2)c1 77518562 PLPZYIQEQMQUNL-QGZVFWFLSA-N 340.423 2.474 0 1 EEAF C=C(c1ccccc1OC[C@H](O)CNC(C)C)n1ccc(=O)cc1 40466135 UHBBZGFATJWLFE-QGZVFWFLSA-N 328.412 2.105 0 1 EEAF Cc1c[nH]c2ncc(-c3cc([C@H]4CCN(C5COC5)C4)n(C)n3)cc12 146507164 FOZFYQHMGZKBDS-ZDUSSCGKSA-N 337.427 2.460 0 1 EEAF O=S(=O)(c1ccccc1)c1cc(CO)c2oc3c(c2c1)CNCC3 143333513 XRPCNTRSOOGNQD-UHFFFAOYSA-N 343.404 2.404 0 1 EEAF CN(C(=O)[C@@H]1CC[C@@H](c2ccccn2)NC1=O)C(C1CC1)C1CC1 618013240 OHMAAFLDRCKORR-ZBFHGGJFSA-N 327.428 2.296 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)C2)N1 587847798 YKIWJJPAUOHAFF-AMIZOPFISA-N 348.237 2.136 0 1 EEAF CC(C)(C)OC(=O)N(Cc1nc2ncc[nH]c-2n1)C[C@H]1CCCO1 587197905 XISUZXFNEBZVES-LLVKDONJSA-N 333.392 2.221 0 1 EEAF COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C[C@H](OC)O[C@H]1O2 14414912 QKCJGDIUSFKBPI-OSGOREDWSA-N 344.319 2.125 0 1 EEAF endogenous,in-man C[C@]1(CO)C(=O)CC[C@]2(C)[C@@H]1CCC1=C[C@H]3C[C@@]12CC[C@@]3(O)CO 2356325559 PRQDTDUAOQWUMJ-UQVZDDLFSA-N 334.456 2.214 0 1 EEAF COc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)NC(C)C)C3)cc1 3955796 WWFBQKAAMJXKBJ-UHFFFAOYSA-N 345.443 2.351 0 1 EEAF CC(C)(CC(=O)NC1CC1)CC(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101272432 ZQTYSHNSWFSRTJ-PPLJJUBYSA-N 348.487 2.127 0 1 EEAF C[C@H]1C[C@@H](NC(=O)c2c(O)n3ccsc3nc2=O)CC(C)(C)C1 100494555 DSPAHKILGVVFPA-VHSXEESVSA-N 335.429 2.406 0 3 EEAF O[C@]12c3ccccc3[C@@]1(N1CCOCC1)CCCCC21OCCCO1 31851998 VAOWMWKFKFODLA-AZUAARDMSA-N 345.439 2.123 0 1 EEAF Cc1nc2sccn2c1-c1c[nH]c2ncnc(N3CCOCC3)c12 224885223 OWQJWDZUYOCCTM-UHFFFAOYSA-N 340.412 2.479 0 1 EEAF C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NC1(C)CCCCC1 618013214 HWVWIUSQRATADH-GRDNDAEWSA-N 344.459 2.033 0 1 EEAF NS(=O)(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587035554 SLLYTRAXYLMONN-CYBMUJFWSA-N 349.437 2.128 0 1 EEAF CC(C)(C)OC(=O)N1CCC[C@@H]1Cc1ccc2c(O)nc(O)nc2n1 587558976 VPEJHSAKIKCXKJ-LLVKDONJSA-N 346.387 2.378 0 1 EEAF NS(=O)(=O)c1ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587174932 OKGCBWCZOJJSSX-UHFFFAOYSA-N 344.371 2.422 0 1 EEAF CCOc1cc(Cc2cc3c(O)nc(O)nc3nc2C)ccc1O 587560243 YVYNQCNLWFFKPG-UHFFFAOYSA-N 327.340 2.440 0 1 EEAF CCn1nccc1-c1[nH]c2c(C(=O)O)cccc2c1C(=O)C(=O)OC 587639089 MSOYZWIHTUJZMD-UHFFFAOYSA-N 341.323 2.105 0 1 EEAF CC1(C)COC2(C[C@@H]3Cc4nc5nc(O)nc(O)c5cc4[C@H]3C2)OC1 587563213 PSPCCBQHYZARHQ-CABZTGNLSA-N 343.383 2.255 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)[C@H]1CN(C)CC[C@]1(C)O 963611206 QJNSOQFPPIHMKS-SOUCHZLYSA-N 348.487 2.156 0 1 EEAF CS(=O)(=O)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 1857573824 LSBFXTUZGVFZDA-UHFFFAOYSA-N 335.168 2.338 0 1 EEAF CN(C)CCC[C@@H]1C(=O)c2ccccc2N(CCCN(C)C)C1=O 169319130 UXSBHZQYOZKOIA-MRXNPFEDSA-N 331.460 2.126 0 1 EEAF CC[C@H](C)[C@H](CO)NC(=O)[C@]1(C)CON=C1c1ccc(N(C)C)cc1 4045146 NDLAXTVKKYJBGD-IYJAJMOOSA-N 347.459 2.016 0 1 EEAF CCOC(=O)N1CCC(Nc2nc3ccccc3n3cnnc23)CC1 4910270 WELLRJUGUCWHET-UHFFFAOYSA-N 340.387 2.310 0 3 EEAF CC(C)NC(=O)C1=CC2=N[C@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1 104009532 GVZPRLXQUYSPGF-CABZTGNLSA-N 342.321 2.283 0 3 EEAF Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC[C@@H]1CCNC1 58591219 SVYBIOOQQZRSEQ-LBPRGKRZSA-N 349.866 2.168 0 1 EEAF COC(=O)N1C(=O)[C@H](C)[C@@H]2[C@@H]1CC[C@H]2C(=O)OCc1ccccc1 27443375 AWRQMJHTZRUHSZ-RZFFKMDDSA-N 331.368 2.369 0 1 EEAF CC(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)C=Cc3ccccc3)C[C@H]1N2C 2356681335 QKTXQEDBXGTOFH-TVFCKZIOSA-N 329.396 2.410 0 1 EEAF CNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(F)c1 114343430 RBMOLIOJAWRTIV-OAHLLOKOSA-N 339.374 2.240 0 1 EEAF CC(=O)c1ccc2oc3c(O)nc(CN4CCN(C)CC4)nc3c2c1 84669269 MZXRFYLHTPTREK-UHFFFAOYSA-N 340.383 2.032 0 1 EEAF COc1ccc(CCNc2nc(N(C)CCN(C)C)ncc2C)cc1 82202573 ARCSGARWLIUMKD-UHFFFAOYSA-N 343.475 2.446 0 1 EEAF COc1ccc(-c2cnc3ccc(NCCCO)nn23)c(OC)c1 223806140 AWGMHUMNVPWWIH-UHFFFAOYSA-N 328.372 2.208 0 1 EEAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccccc2)n1 146707209 LDPLZVASDOKHIH-GOSISDBHSA-N 349.394 2.181 0 1 EEAF C/C=C1/CO[C@@H](O)[C@H]2[C@@H]3Cc4c([nH]c5ccc(O)cc45)[C@H](C[C@@H]12)N3 238773980 BAVRLOVTOBIXTQ-KSSDEEOOSA-N 326.396 2.360 0 1 EEAF COc1ccccc1CN[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](O)[C@@H]1O 618016949 NIHGHIZUOZAYCI-VBSBHUPXSA-N 343.423 2.117 0 1 EEAF CNc1nc2c(s1)C(=O)CN(C(=O)NCCc1ccccc1)C2 299849817 AHAPEDPNJIYVKO-UHFFFAOYSA-N 330.413 2.135 0 1 EEAF Nc1ccnc2[nH]c(-c3nc(Cl)cnc3Br)nc12 587005650 OKFYFTNAPMVARR-UHFFFAOYSA-N 325.557 2.413 0 1 EEAF COc1ccc(S(=O)(=O)Cc2nc3ccc(CCO)cc3[nH]2)cc1 586920882 TYDICWIAPCWOSA-UHFFFAOYSA-N 346.408 2.080 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@H](O)OC2)N1 587834738 SDQGGHYVFSUFQZ-YKHWKNEFSA-N 328.181 2.223 0 1 EEAF CCOC(=O)N1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](OC)C1 587396934 XMEBPWBRSHXFSN-QAPCUYQASA-N 348.399 2.158 0 1 EEAF Oc1nc(O)c2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2n1 587116059 LVYXLNZNGNQUFV-UHFFFAOYSA-N 348.244 2.393 0 1 EEAF CC(=O)[C@@H]1C(=O)[C@@H]2c3c[nH]c4cccc(c34)C[C@H]2C(C)(C)N(C)C1=O 957950723 VPZKRDKLOIHUTM-FRFSOERESA-N 338.407 2.449 0 1 EEAF COc1c(O)ccc2c1O[C@H]1c3cc(O)cc(O)c3CO[C@H]1C2=O 15265603 AKYWPKJOMUJLSP-RDJZCZTQSA-N 330.292 2.027 0 1 EEAF biogenic CCNC(=O)Nc1ccc2ncc(-c3ccc(N)c(OC)c3)nc2n1 169711822 OSIQMNBZAZZAPD-UHFFFAOYSA-N 338.371 2.424 0 1 EEAF Cc1nc2cccc(-c3cc4c([nH]3)[C@H](CO)NC4=O)c2nc1NC1CC1 206091946 PPKOMRSAECKGDB-HNNXBMFYSA-N 349.394 2.284 0 1 EEAF Nc1ncnn2c([C@H](O)C3CC3)cc(-c3cc(F)c(CO)c(F)c3)c12 205817565 MLTQWZGIFBGXTG-MRXNPFEDSA-N 346.337 2.192 0 1 EEAF COCC(=O)NCC1CCC(c2nnc(-c3ccncc3)o2)CC1 19593027 AFJDHCMMZZGFOA-UHFFFAOYSA-N 330.388 2.168 0 1 EEAF Cc1ccc(F)cc1NC(=O)[C@H]1C[C@H](O)CN1C(=O)OCC(C)C 1014211 OMTCSMHLFFDIBF-DZGCQCFKSA-N 338.379 2.300 0 1 EEAF CC1=CCC[C@@H]2[C@](CO)(C1)C[C@@H](C)[C@]2(CO)CCC(=CCO)CO 2356445536 FCKGLSONUYBLLE-VBSBHUPXSA-N 338.488 2.421 0 1 EEAF COC(=O)c1ccc2c(=O)n(C)c(SCC(=O)C(C)(C)C)nc2c1 100891822 JXZKSCDLUOGQJL-UHFFFAOYSA-N 348.424 2.427 0 1 EEAF CC=C(C)C(=O)O[C@@H]1CCN2C[C@H]3C[C@@H](C(=O)N4CCCC[C@H]34)[C@@H]2C1 2356520031 WSSVDOWLXBYLHU-ZKXLYKBJSA-N 346.471 2.360 0 1 EEAF COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(C)c1)[C@H](O)C2=O 2356601085 IKRSYTWAXFVNFF-QZTJIDSGSA-N 330.336 2.395 0 1 EEAF COC(=O)[C@@H]1C[C@@]23C=CCN4C[C@@H]([C@H]2C)[C@@]2(c5ccccc5N[C@H]12)[C@H]43 254111059 AXEOWLVNPZQDNZ-QYHRHUQGSA-N 336.435 2.418 0 1 EEAF COc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(OC)c1C 587788315 XKTQEOXUIKSNOV-UHFFFAOYSA-N 347.396 2.203 0 1 EEAF Cc1csc([C@](O)(Cc2nc3cc(N)ncc3[nH]2)C(F)(F)F)n1 587095245 ZMIREJIDRSKDAB-GFCCVEGCSA-N 343.334 2.298 0 1 EEAF NC(=O)c1cccc(C[C@H](N)c2nc3ccc4ncccc4c3[nH]2)c1 587260733 ZZUPBICHHCCUKW-AWEZNQCLSA-N 331.379 2.453 0 1 EEAF COc1ccc(-c2cc(C)cc3c2O[C@@H](CNC(=O)C2CC2)C3)nn1 11973378 ZIMQLEBLVADBCZ-CQSZACIVSA-N 339.395 2.290 0 1 EEAF CCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c(Cl)cc3n2n1 13798613 RQNWUNKZHIRDDB-UHFFFAOYSA-N 327.127 2.054 0 1 EEAF O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)cc1 169294931 USPKYYZDABFFSZ-PLJUSGQGSA-N 342.782 2.038 0 1 EEAF CCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C(=O)CC)c1 169334065 ITCZACKAZHFEFD-AWEZNQCLSA-N 336.432 2.366 0 1 EEAF O=C1C[C@H]2OCC=C3CN4CC[C@@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 169334457 QMGVPVSNSZLJIA-OWJTZRMVSA-N 334.419 2.093 0 1 EEAF CC(C)[C@H]1OC(=O)C=C2[C@@]3(C)CCC[C@]4(C)C(=O)O[C@@H]([C@@H]43)[C@H]3O[C@]213 206404029 CBWGBTDKXAPUMY-DXNUVPBBSA-N 332.396 2.384 0 1 EEAF COc1ccc([C@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@H]32)cc1OC 1857612353 STYQXJWXWGSXLK-LSDHHAIUSA-N 327.340 2.126 0 1 EEAF COc1cc(C2=CC(=O)N(C(C)(C)C)[S@]2=O)cc(OC)c1OC 1857608670 MBBUZUPIQLIKFO-QHCPKHFHSA-N 339.413 2.358 0 1 EEAF CCCCCCC1=NOC[C@@]1(C)C(=O)NCCCN1CCCC1=O 4214887 AFLAOAMVYFZAAO-GOSISDBHSA-N 337.464 2.478 0 1 EEAF CSc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 4564584 IZSQLYVOPDEZNN-CJXOWJITSA-N 342.420 2.154 0 1 EEAF CNC(=S)N1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccc(F)cc1)C2 4888290 JVVSNXHYKCDIRV-GOOCMWNKSA-N 335.448 2.445 0 1 EEAF CCOC(=O)c1cccn1S(=O)(=O)c1cc(N)ccc1Cl 6403765 IHFITDMEZFEYOA-UHFFFAOYSA-N 328.777 2.137 0 1 EEAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NC2CCCC2)n1 2356289088 PHKFBBGGCVPQDH-MLHJIOFPSA-N 347.503 2.207 0 1 EEAF CCCn1c(=O)c2nc([C@H]3C[C@H]4C=C[C@H]3C4)[nH]c2n(CCC)c1=O 100643558 LMZOGRHOEMOQIR-AVGNSLFASA-N 328.416 2.386 0 1 EEAF CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(C)cn1 20574825 UOQGEBQCWOLZPW-UHFFFAOYSA-N 337.401 2.312 0 1 EEAF C[C@H]1CN(c2ccc(C(=O)Nc3ccccc3N)cn2)C[C@@H](C)N1 28824483 HKZPHZQYERFYSY-BETUJISGSA-N 325.416 2.103 0 1 EEAF NC1=CC=C[CH]N1CC(=O)c1ccc(I)cc1 2356812826 HGVADBKMTYYECP-UHFFFAOYSA-N 339.156 2.308 0 1 EEAF CCC(CC)C(=O)N1CC[C@H]2NC(=O)N(Cc3ccccc3)C(=O)[C@H]21 4260731 QYNKOKVSUPGLJE-CVEARBPZSA-N 343.427 2.144 0 1 EEAF biogenic COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@@H]2c1ccc(C)cc1 73168831 CAKPDDSZJXLQHN-QGZVFWFLSA-N 332.425 2.155 0 1 EEAF COc1cncc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)c1 45355413 IEFQLFGGKVRQEC-UHFFFAOYSA-N 348.410 2.269 0 1 EEAF CC(C)=CCc1cccc2c(C[C@@H]3NC(=O)[C@H](C)NC3=O)c[nH]c12 14721649 IHJVJWQYVQWURS-LRDDRELGSA-N 325.412 2.222 0 1 EEAF biogenic COc1ccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)cc1 45352658 WZCBNYKLBHHBIU-UHFFFAOYSA-N 349.394 2.368 0 1 EEAF CCC(=O)N1CC[C@H]2[C@@H](C[C@@H](CN3CCCC3)N2c2nccs2)C1 299842373 NWSXEDIZNHEFSL-JYJNAYRXSA-N 348.516 2.445 0 1 EEAF O=C1COc2cc3[nH]c(C[C@H]4CCc5occc5C4=O)nc3cc2N1 586909218 WQQKVCHBIUXGHE-SECBINFHSA-N 337.335 2.475 0 1 EEAF O=C(O)c1cc(F)cc2nc(CS(=O)(=O)C3CCCC3)[nH]c12 586923956 BQWLHISEAYAWLK-UHFFFAOYSA-N 326.349 2.258 0 1 EEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(F)cc2[nH]1 586960126 VJVOUFRLRWTQHZ-OAHLLOKOSA-N 335.360 2.171 0 1 EEAF CC(C)(C)OC(=O)N[C@H](c1nc2c(O)nc(N)nc2[nH]1)C1CCCC1 587224876 ICTPMCBJNVFZPQ-VIFPVBQESA-N 348.407 2.397 0 1 EEAF NS(=O)(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587035768 SLLYTRAXYLMONN-ZDUSSCGKSA-N 349.437 2.128 0 1 EEAF CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(CCF)c3ccccc13)C2 1772611036 JTEILSCRSQGWLI-HUUCEWRRSA-N 345.418 2.202 0 1 EEAF O=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(CCO)CC1 12703898 FOVTYHKIYAWAHV-UHFFFAOYSA-N 347.394 2.295 0 1 EEAF CCCCN1CCN(C(=O)c2cn([C@H](C)c3ccccc3)nn2)CC1 203475653 AKLNHSDZXNKPEL-MRXNPFEDSA-N 341.459 2.445 0 3 EEAF CCc1nc(C)cc(N2CCN(C(=O)[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)n1 1857594291 VFNUCBIJTHBIIQ-ARFHVFGLSA-N 326.444 2.208 0 1 EEAF COc1ccc(C[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O)cc1 13470265 CHTREKLBQHLOFC-LLVKDONJSA-N 330.273 2.031 0 1 EEAF C[C@]12CC[C@@H](O)[C@@]3(C)C(=O)O[C@@H](C=C4[C@H]1CC[C@]1(C)CC(=O)O[C@@H]41)[C@H]23 2356381632 UCWXMZOVKYMIMO-NIPWPZGFSA-N 346.423 2.367 0 1 EEAF O=C(N[C@H]1CCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 118676018 WTHXQDHNQUSBSY-VIFPVBQESA-N 328.397 2.089 0 1 EEAF Cc1cc(C(=O)NCN2CCC(c3cccc[n+]3[O-])CC2)ccc1F 38149984 DFUMNURDHJNHTI-UHFFFAOYSA-N 343.402 2.334 0 1 EEAF COc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)OCO4)N2)cc1 72109676 UGUVGLVHRPLWRS-ZSOIEALJSA-N 337.335 2.363 0 1 EEAF C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C(=O)CC1=CC(=O)OC1 15110628 XBINLYXLOLWNSB-NXHKRRBXSA-N 348.439 2.171 0 1 EEAF biogenic OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=N[C@@H]2O 38493645 WRWQGLJVKHCNMY-QGZVFWFLSA-N 340.770 2.255 0 1 EEAF O=C(C1CCCCC1)N1CC(=O)N2CCc3ccc(O)cc3[C@H]2C1 82151416 WEKXQEQCPLQSMD-QGZVFWFLSA-N 328.412 2.241 0 1 EEAF CCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@H](C)CN2 82211232 PFSJIBRIAHQLAL-GFCCVEGCSA-N 344.415 2.027 0 1 EEAF CC(C)COc1ccc2c(c1)[C@]1(CC(C)(C)O2)N=C(N)N(C)C1=O 95601010 KESHGUAKESOZTB-SFHVURJKSA-N 331.416 2.265 0 1 EEAF O=C(O)c1cc(-c2cncnc2)nc2c1cnn2Cc1ccncc1 95582122 YCKRGQLOARYKHZ-UHFFFAOYSA-N 332.323 2.030 0 1 EEAF CC(C)CCCN1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 299854148 UYVNCPCYAVLYAL-KRWDZBQOSA-N 330.476 2.487 0 1 EEAF CC1=C(c2ccc3[nH]c(-c4ccc(CO)cc4)nc3c2)NNC(=O)C1 586895356 FTIFWIFALZWIKL-UHFFFAOYSA-N 334.379 2.478 0 1 EEAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(O)ncnc4[nH]3)cc2N1 587125770 UPNUEZGDPNJIKT-FSPLSTOPSA-N 339.281 2.230 0 1 EEAF NS(=O)(=O)c1cccc2nc(-c3ncccc3C(F)(F)F)[nH]c12 587108686 OZXSRFBKCOAJBG-UHFFFAOYSA-N 342.302 2.291 0 1 EEAF NCc1cccc(C2CCN(C(=O)c3ccc(CO)c(O)c3)CC2)c1 218770774 YULKHIXPABKGCX-UHFFFAOYSA-N 340.423 2.363 0 1 EEAF Cn1ncc2c(NCCCO)nc(Nc3ccc(F)c(F)c3)nc21 1772657288 GVAAPWLMUQTRMY-UHFFFAOYSA-N 334.330 2.179 0 1 EEAF CC(C)c1nc2ccc(Br)cc2c(=O)n1CC(=O)O 13649915 SUPBFFXZHIVUHA-UHFFFAOYSA-N 325.162 2.367 0 1 EEAF C[C@@H](CCCCCNC(=O)c1cc2cc(C(=N)N)ccc2[nH]1)C(=O)O 13764924 BACUWNDSUBHCOF-NSHDSACASA-N 344.415 2.463 0 1 EEAF CCCCCC[C@H]1C(=O)N[C@@]2([C@@H](O)[C@H]3C=CCCC3)C(=O)O[C@@]12C 14926888 KAZLTNBVAYOUNF-FLKCQLHMSA-N 335.444 2.474 0 1 EEAF in-vitro CC(C)(C)CNC(=O)C[C@@H]1CNC(=O)c2cc(-c3ccncc3)cn21 169330953 RIJFIAYCCAIZAK-OAHLLOKOSA-N 340.427 2.387 0 1 EEAF COc1ccc(C(=O)O[C@@H]2C[C@@H]3C[C@@H](OC(C)=O)[C@@H](C2)N3C)cc1 169351359 XAFSVSVXERZSBU-MWQQHZPXSA-N 333.384 2.019 0 1 EEAF CCOCCN1CCN(C=C2NN=C(c3occc3C)O2)C[C@@H]1CC 1857587780 WMNUODDXIHAJGN-HNNXBMFYSA-N 348.447 2.101 0 1 EEAF COc1cc(C2=CC(=O)N(C(C)(C)C)[S@@]2=O)cc(OC)c1OC 1857608669 MBBUZUPIQLIKFO-HSZRJFAPSA-N 339.413 2.358 0 1 EEAF CO[C@@H]1C(=O)CC[C@@H]2C[C@H]3c4cc5c(cc4CCN3C[C@H]12)OCO5 2356337821 DJSHXEFAWZEGPN-DBWSCCJJSA-N 329.396 2.329 0 1 EEAF CO[C@H]1CCC([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103215228 ULCLBUPIXNRYLR-ZDUSSCGKSA-N 326.784 2.311 0 1 EEAF COC1=C(C)C(=O)O/C1=C1/O[C@]23CCCN4CCC[C@@H](O2)[C@H]4[C@H]3[C@@H]1C 103567242 LXAQGNNSRKLTLE-OQWZILDJSA-N 347.411 2.311 0 1 EEAF biogenic,in-vitro CO[C@H]1C[C@H](C)C([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN21 103215209 MWULQWABMSNGLF-WPRPVWTQSA-N 344.824 2.372 0 1 EEAF CN1CCC(N(C)C[C@H]2CC[C@@H](Cc3cccc(CO)c3)O2)CC1 67819952 AJBVQDVKTHFWIN-VQTJNVASSA-N 332.488 2.295 0 1 EEAF Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]12 74377052 JAHICCTVJSVROO-IRXDYDNUSA-N 342.420 2.419 0 3 EEAF CCC[C@@H]1CC2=C(OC=CN2)[C@]2(NC(=O)CC(=O)O)C=CCC[C@H]12 87723411 QUMPRQDHFWLVOC-VFVRVIDISA-N 332.400 2.405 0 1 EEAF C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2C[C@H]1O 299829268 RHKZDVNMLMFSCO-RHBOMYSTSA-N 349.471 2.279 0 1 EEAF Cc1[nH]nc(O)c1[C@@H](c1ccccc1)c1c(O)nc(S)nc1O 653764482 XIESOQOVNVGHBY-SNVBAGLBSA-N 330.369 2.094 0 1 EEAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 587248888 AVFPJQGTBAROSD-UHFFFAOYSA-N 329.287 2.271 0 1 EEAF CC1(C)CNC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587597768 WFBLPCBPWHNZTE-LIRRHRJNSA-N 339.347 2.249 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNC(=O)C2)N1 587797447 SOYCPROSZHRQRW-CLAHSXSESA-N 327.197 2.228 0 1 EEAF O=C1CSC[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)N1 587044192 RKLDJUQCHVKSBY-QMMMGPOBSA-N 330.182 2.369 0 1 EEAF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2-c2n[nH]cc21 963487839 DYEQGLZORUZFBQ-JXFKEZNVSA-N 347.374 2.295 0 1 EEAF COC(=O)c1ccc2c(c1)NC(=O)[C@]21NCCc2cc(Cl)ccc21 963389599 CIFIUTYGUZNYOL-GOSISDBHSA-N 342.782 2.468 0 1 EEAF CC(C)(C)C(=O)N1Cc2n[nH]c(=O)c3cc(F)cc4[nH]c(c2c43)C1 150190492 UNRIMNNIMOSTHC-UHFFFAOYSA-N 328.347 2.432 0 1 EEAF Cc1c(C(=O)N2CCN(C)CC2)sc2c1[nH]c(=O)c1ccccc12 169352955 NLQWKCUCXRLTEV-UHFFFAOYSA-N 341.436 2.439 0 1 EEAF O=C(NC1CCC1)[C@H]1C[C@H]2CN(C(=O)Nc3ccc(F)cc3)C[C@@H]1O2 1857590315 YKLBBARGUXNONR-JYJNAYRXSA-N 347.390 2.116 0 1 EEAF O=C(NCCN1CCN(c2ccccc2Cl)CC1)c1ccccn1 1857763410 BJHLIIONMMKAAZ-UHFFFAOYSA-N 344.846 2.287 0 1 EEAF O=C(O)C[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O 1538360 OTSTXAMUGOHKPJ-INIZCTEOSA-N 349.323 2.464 0 1 EEAF CC[C@H](O)[C@@H]1C[C@H](O)[C@H](C=C[C@@H](O)CCCCCCCC(=O)O)O1 2356328561 BHWUKOCNOLCGLB-WOYTXXSLSA-N 344.448 2.008 0 1 EEAF COc1ccc(-n2nc3c(c2NC(=O)C(C)C)C[S@@](=O)C3)cc1 8553327 CPALHUIPKYLVEQ-QHCPKHFHSA-N 333.413 2.238 0 1 EEAF CC[C@H](C)C[C@H](C)C=C[C@@H]1C=C[C@H](O)[C@@H]2O[C@@]3(C)OC(=O)[C@@]12[C@H]3O 2356723483 KMJIBJZHUZVXRL-RWUIUEHLSA-N 336.428 2.181 0 1 EEAF CN(c1ccc2c(c1)CCNCC2)S(=O)(=O)Cc1ccc(F)cc1 45506420 USWOFTLJMNQSQR-UHFFFAOYSA-N 348.443 2.480 0 1 EEAF COc1ccc2c(c1)C(=O)[C@](O)(OC)[C@@](OC)(c1ccccc1)O2 40937392 GGQCEBFQSWDRBR-ZWKOTPCHSA-N 330.336 2.105 0 1 EEAF CC[C@H](NC(=O)c1ccc(N)c(OCc2ccc(O)cc2)c1)C(=O)O 84653750 UPPSWAUFBRZZKS-HNNXBMFYSA-N 344.367 2.146 0 1 EEAF CN1CCN(C(=O)CCNc2ccnc3cc(Cl)ccc23)CC1 299836670 HJYAFAOCVBETOE-UHFFFAOYSA-N 332.835 2.464 0 1 EEAF CC(C)(C)OC(=O)N1CC[C@@H]2c3cc4c(O)nc(O)nc4nc3C[C@H]21 587557924 MVGQWQDKKZVMRC-PRHODGIISA-N 344.371 2.085 0 1 EEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1COC1COC1 587614990 FBLHIMYXPHTVOH-HZPDHXFCSA-N 328.320 2.138 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COCC2=O)N1 587834267 KPBJAHFKQZKFII-XLKFXECMSA-N 326.165 2.431 0 1 EEAF COc1cccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1O 587652275 OJBPNGSNEDSDOF-UHFFFAOYSA-N 330.727 2.453 0 1 EEAF N=c1[nH]cc2nc(-c3ccnc(Br)c3Cl)nc-2[nH]1 587008519 XNOROJMQULFDEU-UHFFFAOYSA-N 325.557 2.195 0 1 EEAF Cc1nccnc1[C@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963225165 CSESTBWHPCBDLY-QFBILLFUSA-N 334.379 2.196 0 1 EEAF C/C=C(/C)C(=O)OC[C@](C)(O)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 15273852 IVIDHJTYZDMSNL-DDLGFMRJSA-N 344.363 2.357 0 1 EEAF COc1ccc(Cl)c2c1CCC(CN1CCN(CCO)CC1)=C2 169324768 ULGSQKNDCFSPKW-UHFFFAOYSA-N 336.863 2.288 0 1 EEAF CC(C)[C@@](C)(CO)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 207378406 YXRYPPIBSOFPHA-GOSISDBHSA-N 333.432 2.280 0 1 EEAF O=C1Nc2ccc(C=Cc3ccccc3)cc2C(=O)N2C[C@@H](O)C[C@@H]12 2356314401 HIAHNCPXMFOGNU-YJBOKZPZSA-N 334.375 2.385 0 1 EEAF Cc1nc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)co1 26576577 IJMFYZCSRMALBU-AWEZNQCLSA-N 332.381 2.499 0 1 EEAF COc1ccc(CCNC(=O)C=Cc2ccc(O)c(OC)c2)cc1O 2356600102 ACSWAJLDOHJFNA-UHFFFAOYSA-N 343.379 2.487 0 1 EEAF COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O)c1)[C@@H](OC)C2=O 29037474 UMLUSIZQABTJOI-MSOLQXFVSA-N 346.335 2.446 0 1 EEAF biogenic,in-vitro CC(=O)Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 40876781 VLWKYZXFURDCFE-UHFFFAOYSA-N 349.354 2.070 0 1 EEAF COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=CC1=CCN3C[C@@H]2O 85730798 QWWCVLZNFFVFTR-IYJAJMOOSA-N 329.396 2.163 0 1 EEAF biogenic,in-vitro CCOC(=O)C(=O)C[C@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439787 DDVXGOABZSLLDT-BFUOFWGJSA-N 344.363 2.114 0 1 EEAF CCOC(=O)c1n[nH]cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440155 OTIZXDPUUBQACO-QLJPJBMISA-N 328.324 2.084 0 1 EEAF CON(C)C(=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757397 USQMYGCWGAIVPS-RTHLEPHNSA-N 345.212 2.357 0 1 EEAF CC1(C)COC(c2cccc(-n3c(O)cc(CC(=O)O)c3O)c2)=N1 587934177 BYHGTMOKISFEDZ-UHFFFAOYSA-N 330.340 2.071 0 1 EEAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cnnc(O)c4[nH]1)(C3)C2 587949807 CSAISYITJAIABH-HLASGMPESA-N 328.372 2.212 0 1 EEAF Nc1ccc(Br)cc1-c1ccc2c(O)nc(O)nc2n1 587367496 XAFZJSNPNQQHPQ-UHFFFAOYSA-N 333.145 2.448 0 1 EEAF CC[C@@H](C)NC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1 5143820 LEHCZEKPXXAUFM-GFCCVEGCSA-N 333.461 2.460 0 1 EEAF CC(C)[C@@H]1[C@H](O)[C@H](O)[C@@H]2[C@@H]3OCC4=C3[C@](C)(CC[C@H]4O)CC[C@@]12C 2356356873 FEEKQAGOFRYSCP-GTBMRISXSA-N 336.472 2.267 0 1 EEAF COc1cccc(-n2c(CCc3ccccc3OC)n[nH]c2=O)c1 103175010 KFQVHBWBIGIFBS-UHFFFAOYSA-N 325.368 2.363 0 1 EEAF O=C(c1ccno1)N1C[C@H](F)[C@H](OCc2nc3ccccc3o2)C1 2356298896 ISYZAQUKOTYRNY-IINYFYTJSA-N 331.303 2.195 0 1 EEAF COC(=O)C1=C2[C@](C)(C(=O)OC)[C@@H](O)CC[C@]2(C)c2ccccc21 2356403470 KHTLNUGTVKMWNG-MJXNMMHHSA-N 330.380 2.219 0 1 EEAF CCC[S@](=O)c1ccccc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 29395573 IIXTUMXJUZWKCR-HSZRJFAPSA-N 330.413 2.150 0 1 EEAF COc1ccc2c(c1)nc1n2[C@H](CNCc2ccncc2F)COC1 2356314041 ZHAMMIVURJKXJU-CYBMUJFWSA-N 342.374 2.440 0 1 EEAF O=C(c1ccccn1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 28394611 JWSCZESWYMRJTO-OTRWWLKZSA-N 327.428 2.176 0 1 EEAF CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H](C)CN2 82211231 ZEWRRVNSDIBMAW-NSHDSACASA-N 332.379 2.158 0 1 EEAF O=C(OC1CCN(c2ccccn2)CC1)N1CCN(C2CCC2)CC1 223499572 FYJKKJWYKUDGEG-UHFFFAOYSA-N 344.459 2.357 0 1 EEAF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCN 82070080 ZEZNJAFLFLGOEL-AWEZNQCLSA-N 347.440 2.066 0 1 EEAF CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@@H]1CC(=O)O 25429836 CVHKSUQRABGLGO-QWHCGFSZSA-N 341.429 2.207 0 1 EEAF biogenic C[C@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(C)c4)cc3n21 147850897 MHRHAUPOVAOJEU-NSHDSACASA-N 337.383 2.322 0 1 EEAF Cc1noc(-c2ccc(N3C[C@H](Cn4cccn4)OC3=O)cc2F)n1 96928831 DTRDSLQAYSGSAU-LBPRGKRZSA-N 343.318 2.406 0 1 EEAF O=c1[nH]c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2[nH]1 98082397 LYJPWWDACSDFEZ-UHFFFAOYSA-N 338.411 2.057 0 1 EEAF O=c1ccn(CCOc2ccc(F)cc2)c(=O)n1Cc1ccccc1 95587894 AACCNNVWDGCWLI-UHFFFAOYSA-N 340.354 2.276 0 1 EEAF O=c1cc(-c2ccc3nn[nH]c3c2)nc2nc(-c3ccccc3)[nH]n12 653663969 IVEONZSCUVHECF-UHFFFAOYSA-N 329.323 2.023 0 1 EEAF COc1cc2c3c(c1)O[C@]1(CCc4nc(N)sc4C1)[C@@H](C2)C3=O 587451984 MBAHYSFPRDGNMA-BTDLBPIBSA-N 328.393 2.409 0 1 EEAF CCOC(=O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657889 DEFKKGBMCOKLEK-UHFFFAOYSA-N 340.310 2.406 0 1 EEAF Oc1nccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966940 MLUCILKIMXHMEO-UHFFFAOYSA-N 326.341 2.401 0 1 EEAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2ccon2)N1 962641604 PQEKGCFCUDIDPA-SKDRFNHKSA-N 328.246 2.262 0 1 EEAF Fc1cccc2c1[C@](CN1CCNCC1)(C1CC1)N1CCC[C@H]1C2 963104819 ILXYDCGUOCUCPB-PXNSSMCTSA-N 329.463 2.357 0 1 EEAF CN(C)Cc1ccc(-c2cnc(NCc3cnco3)n3cnnc23)cc1 1772648779 QDJAABSZYGBSLI-UHFFFAOYSA-N 349.398 2.453 0 1 EEAF CN(C)CCCCOc1ccc2nc(N)n(CCCN(C)C)c2c1 13675176 NLWYMEWIJWYVAV-UHFFFAOYSA-N 333.480 2.291 0 1 EEAF O=C1c2cc(Cl)cc3cnn(c23)CCN1[C@@H]1CN2CCC1CC2 166524268 JBVRKZZSTULWTO-OAHLLOKOSA-N 330.819 2.240 0 1 EEAF CC=C1CO[C@@]23C[C@H]1[C@@H](CO)C(=O)N2CCc1c3[nH]c2ccccc12 2356384087 KXRVCBUVJNQYRH-JXXFODFXSA-N 338.407 2.310 0 1 EEAF COCCCc1ccc(C[C@@H]2C=C(C)[C@H](O)C[C@@H]2[C@](C)(O)CO)cc1 2356354443 JOGIUBBUBJODJZ-UWHLTILDSA-N 348.483 2.495 0 1 EEAF COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@H](CN(C)C)O3)no2)cc1 2356363640 KZNHTOQYOQIHHB-LNLFQRSKSA-N 346.427 2.363 0 1 EEAF O=C1NC(=S)N/C1=C/c1ccccc1-c1ccc2c(c1)COC2=O 101463983 RRJWPKUUYLLDOL-OVCLIPMQSA-N 336.372 2.369 0 1 EEAF O=C(O)Cn1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 101308638 FFQYCTRYHSMOEG-UHFFFAOYSA-N 340.183 2.462 0 1 EEAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(=O)c1ccno1)C2 2356293822 KWNWUYWKMYKPRX-CYBMUJFWSA-N 327.340 2.354 0 1 EEAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4occc4C)C[C@H]3C2)n1 116823800 KAKQLZPCIDXJDG-GJZGRUSLSA-N 326.400 2.203 0 1 EEAF CC(C)Cc1sc(C(N)=S)nc1-c1ccc(P(=O)(O)O)o1 66112019 BLEVMCWNPWYUMZ-UHFFFAOYSA-N 346.370 2.039 0 1 EEAF CNc1cc(-c2cn(C)nc2Cc2ccccc2)nn2c(C)nnc12 213525402 QASHXENLJMNYDK-UHFFFAOYSA-N 333.399 2.466 0 1 EEAF O=C1N[C@@H]2ON=C(c3ccccc3)[C@@H]2[C@@H]2ON=C(c3ccccc3)N12 31898327 IHTIDIABGVBCOA-XKQJLSEDSA-N 334.335 2.107 0 1 EEAF COc1ccccc1CNC(=O)c1cc(-c2nc(N)ncc2C)c[nH]1 87612965 LMYQCRAAMHLIAF-UHFFFAOYSA-N 337.383 2.301 0 1 EEAF CN1C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2Cl)CC1=O 95565675 NWFUSRPKBFAGEK-SECBINFHSA-N 334.725 2.453 0 1 EEAF CN1CC[C@]2(CCN(Cc3ccc(-c4cnn(C)c4)cc3F)C2=O)C1 95587081 SGHOFWAWAWFGNQ-IBGZPJMESA-N 342.418 2.280 0 1 EEAF CC(C)n1cnc2c(Nc3cnccn3)nc(Cc3cnccn3)nc21 95598397 VOGHSHGSWKPYDL-UHFFFAOYSA-N 347.386 2.322 0 1 EEAF COC(=O)Nc1nc2ccc(C(=O)c3ccc(O)cc3O)cc2[nH]1 299861764 ITGVFHVUPICVMK-UHFFFAOYSA-N 327.296 2.383 0 1 EEAF CCOC(=O)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868267 YGNNKWAUTQJCJZ-UHFFFAOYSA-N 343.261 2.176 0 1 EEAF CCOC(=O)[C@@]1(CC(N)=O)CCCc2c1nc1cccc3c1c2CC3 587210732 FOCGDORKDYPICF-HXUWFJFHSA-N 338.407 2.346 0 1 EEAF CCOC(=O)[C@@H]1COC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587536008 QGDZDKQMEGAWFJ-HNAYVOBHSA-N 330.380 2.479 0 1 EEAF C[C@@H](Cc1nc2cc(I)cnc2[nH]1)N(C)C 587192624 XBSKTZHYDFJLGK-ZETCQYMHSA-N 330.173 2.055 0 1 EEAF CNC(=O)C[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432420 LTGWFOIHXBFSER-QRWLVFNGSA-N 337.375 2.474 0 1 EEAF CN1CCc2cnn(C)c2[C@@H]1c1ccc(OCCn2ccnc2)cc1 963954049 GEMVQBAASPQKES-SFHVURJKSA-N 337.427 2.273 0 1 EEAF NC(=O)c1ccccc1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963239139 ZXMCKSSKXJDARI-ROUUACIJSA-N 347.374 2.022 0 1 EEAF O=C1CCC(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 13678541 VEXMLGRNFUUGTD-UHFFFAOYSA-N 349.862 2.391 0 1 EEAF CC[C@@H](c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)n1cncn1 13863009 LSDAVLIROZXVMY-QMMMGPOBSA-N 340.170 2.114 0 1 EEAF COc1c(/C=C/C(=O)O)c2c(c3occc13)OC[C@@H](C(C)(C)O)O2 14558119 NRLOCZBKDMABGW-ZWNMCFTASA-N 334.324 2.450 0 1 EEAF Nc1nc(N)c2nc(CN3CCCC[C@@H]3c3ccccc3)cnc2n1 169334012 TXJUMCGIUVCWON-CQSZACIVSA-N 335.415 2.311 0 1 EEAF CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1cccc(CN)c1 206394296 IHERIQUNGLAWGV-HNNXBMFYSA-N 333.432 2.161 0 3 EEAF Cc1nc2nc(C)c(CCC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(C)n2n1 4936246 MZIUJIRYAXTOED-TXEJJXNPSA-N 329.448 2.487 0 1 EEAF CCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 28764549 FSCQVYBJKCUYMM-BOALLWEKSA-N 327.424 2.281 0 1 EEAF Cc1cnc(C)n2nc(CCc3nc(-c4nccs4)cn3C)nc12 117858683 UBWMLYCWZUTZSU-UHFFFAOYSA-N 339.428 2.383 0 1 EEAF CC(C)NC[C@@H](O)c1ccc(O)c(C(=O)NCc2ccccc2)c1 27742956 HYMSNGDBNBOEKH-GOSISDBHSA-N 328.412 2.354 0 1 EEAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCC(C)(C)C)n1 2356305628 RWZDOOVWZPDPNP-YLFCFFPRSA-N 335.492 2.136 0 1 EEAF CC(C)[C@H](N)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 61928793 FZNLNUSJFDYUAO-AWEZNQCLSA-N 349.460 2.050 0 3 EEAF NCC1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1 45338010 URKCEACRGZFFGD-UHFFFAOYSA-N 338.459 2.314 0 1 EEAF O=C1C[C@H]2C(=C3c4c2ccc(O)c4[C@H](O)C[C@@H]3O)c2cccc(O)c21 82150366 PBYZCDIEUANPBF-KMUNFCNLSA-N 336.343 2.490 0 1 EEAF CCOC(=O)C[C@@]1(CN2CCCC2)CC(=O)c2cc(C)cc(N)c2O1 587396937 XMRFTVSBZSRPCX-LJQANCHMSA-N 346.427 2.330 0 1 EEAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](C)O)nc2c1 586887084 DNPSBORPRMOUBB-ZETCQYMHSA-N 327.178 2.425 0 1 EEAF O=C(NCC1(O)CCCCC1)c1cc(=O)c2ccc(F)c(O)c2o1 1772579772 IFKCPDNLFUHLPB-UHFFFAOYSA-N 335.331 2.063 0 1 EEAF CCc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1 13803961 NPFSJHMTRJMHMU-UHFFFAOYSA-N 344.392 2.307 0 1 EEAF CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(F)cc2F)cc1 16101483 HYIAUSOJPNKYMF-UHFFFAOYSA-N 341.339 2.229 0 1 EEAF CN1[C@@H](c2ccncc2F)c2ccc3cccnc3c2NS1(=O)=O 205637235 STMAMWKIGUATRK-INIZCTEOSA-N 344.371 2.460 0 1 EEAF CO[C@@H]1O[C@@H](O)[C@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5C[C@@H]([C@@H]13)N4[C@@H]2C 2356709372 ALUUTSZMHKEPEI-WIBSYBPESA-N 340.423 2.411 0 1 EEAF O=C(c1nc[nH]n1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 71318419 SWCKVRRVEDFLED-RVKKMQEKSA-N 326.400 2.097 0 1 EEAF COc1cc(NC(C)=O)c(N2CCC(=O)NC2=O)cc1C(C)(C)C 84652608 AEFJLNSKMXKJCT-UHFFFAOYSA-N 333.388 2.397 0 1 EEAF C[C@]1(O)CO[C@H]2C=C(COC(=O)/C=C/c3ccc(O)cc3)CC[C@H]21 238775384 IUVKFRYCDSXZIC-WMQMGCBPSA-N 330.380 2.435 0 1 EEAF CC(C)Nc1nc(N(C)C)nc(N(C#N)CCOc2ccccc2)n1 95596204 WQDHVLNGJKPNDU-UHFFFAOYSA-N 341.419 2.124 0 1 EEAF N=C(N)Nc1ccccc1-c1nnc(C(=O)NC2CCCCCC2)o1 621429271 VFMNKIYRZXZMTD-UHFFFAOYSA-N 342.403 2.495 0 1 EEAF CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=CC2CCCCC2)nc1O 299816393 XQMBIURMTDTUCW-UHFFFAOYSA-N 342.443 2.098 0 1 EEAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@H](CO)[C@@H](C)CC 299885552 VQKYQBBROCBSSB-OHNRDTAOSA-N 348.443 2.349 0 1 EEAF Cc1cc(Cc2nc3c(O)nc(O)nc3[nH]2)ccc1Br 586977797 SLZGSSZXFGKWHJ-UHFFFAOYSA-N 335.161 2.426 0 1 EEAF CCOC(=O)/C(=C\N(C)C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587385955 GAWPJUBKHJDJBL-LVMGUKCRSA-N 332.400 2.310 0 1 EEAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(/C=C/C=C\C(=O)O)nc2c1 587966922 FJOFCLXOEQOJAE-YMBWGVAGSA-N 349.412 2.247 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(CCC(=O)O)N1 587747563 MGBHYPMURPPOBA-RTHLEPHNSA-N 345.212 2.141 0 1 EEAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(N)ncnc3[nH]2)cs1 587020240 JKLUHZGUVQKGJU-UHFFFAOYSA-N 347.404 2.329 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COCC(=O)C2)N1 587837033 YXARWWQUYBIGLW-CLAHSXSESA-N 328.181 2.307 0 1 EEAF Oc1cc(O)nc(SCc2nc3cc(C(F)(F)F)ncc3[nH]2)n1 586967393 ZZDLRJGERAMSET-UHFFFAOYSA-N 343.290 2.470 0 1 EEAF COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1 167896060 QJIRFTJKSAAVPW-UHFFFAOYSA-N 345.376 2.291 0 1 EEAF COc1ccccc1N1CCN(CCn2nc3ccccc3n2)CC1 13738288 KJNPCXZBICRIFX-UHFFFAOYSA-N 337.427 2.262 0 1 EEAF Cc1cccc2c1[C@H](c1ccccc1)N(C(=O)CNC[C@@H](C)O)CC2 201363516 GUNITUBDZFWCQM-IERDGZPVSA-N 338.451 2.440 0 1 EEAF C[C@H](O)[C@H](C)NCc1ccnc(-c2ccc(C(F)(F)F)nc2)n1 204408019 HAHDKTWKKZNOKN-UWVGGRQHSA-N 326.322 2.416 0 1 EEAF O=c1cc(N2CCCC2)[nH]c(=O)n1-c1cccc(C(F)(F)F)c1 1655340 IYVJDYWQBNPSBX-UHFFFAOYSA-N 325.290 2.145 0 1 EEAF CC(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CCCC2)[C@H]1c1ccccc1 2356289329 TXLUNYBUGYKCEL-GGPKGHCWSA-N 344.455 2.406 0 1 EEAF CS(=O)(=O)c1ccc(-c2nnnn2-c2ccc(Cl)cc2)cc1 66099307 COXZLKAWCFCIHJ-UHFFFAOYSA-N 334.788 2.386 0 1 EEAF O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)C1 38192060 JKSUUZMNWGEVRC-VAMGGRTRSA-N 327.424 2.155 0 1 EEAF N#CN1CC[C@H](CS(=O)(=O)c2cccc(Br)c2)C1 45190747 RFOGMNJVABFPLR-JTQLQIEISA-N 329.219 2.026 0 1 EEAF CC(C)(CC(=O)NC1CC1)CC(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 43017717 ZQTYSHNSWFSRTJ-YYYRFBGBSA-N 348.487 2.127 0 1 EEAF C[C@@H](c1ccccc1)n1cnc(=O)c2sc(N3CCOCC3)nc21 84733407 GHFWZRSCUXYMRA-LBPRGKRZSA-N 342.424 2.299 0 1 EEAF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)[C@H](O)C(=O)[C@H]12 238758493 DXKOYDRYFOHLGA-GMSUXRJESA-N 336.472 2.292 0 1 EEAF N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CO[C@@H]1c1cc(F)c(F)cc1F 96284057 UIVRLOMWONFDGF-WKFLNTIRSA-N 338.333 2.000 0 1 EEAF COc1ccc(-n2ncc3c(=O)n(-c4ccccn4)c(C)nc32)cc1 473247712 GGXGDGHRLYWDCC-UHFFFAOYSA-N 333.351 2.283 0 1 EEAF CCS(=O)(=O)c1ccc2nc(-c3nnn(C)c3C(F)F)[nH]c2c1 587129176 SPUGHFAVUGOVAW-UHFFFAOYSA-N 341.343 2.090 0 1 EEAF N[C@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)C[C@H]1c1ccccc1F 587153909 DTUGZGLCNNCEHW-XTZNXHDOSA-N 338.342 2.374 0 1 EEAF COC(=O)c1ccc2nc(-c3cnc(N(C)C)nc3C)[nH]c2c1OC 587195281 SRWQHJGAKBYPKM-UHFFFAOYSA-N 341.371 2.190 0 1 EEAF COc1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(Cl)n1 587083555 AGBHWGCBOYQNCV-UHFFFAOYSA-N 327.735 2.263 0 1 EEAF Cc1cc2c(cc1O)[C@@](C)(CC(=O)c1cccnc1)N[C@H](C(=O)O)C2 963472302 PWJACAJUMUZYKW-HNAYVOBHSA-N 340.379 2.183 0 1 EEAF CCOc1ncn(-c2ccc(NC(=S)Nc3cnccn3)cc2)n1 5499925 IRSVPNOYCCTXCG-UHFFFAOYSA-N 341.400 2.265 0 1 EEAF O=c1scc(O)n1CCCCNC[C@H]1CCc2ccccc2O1 169725403 OAIPWPJDJGTZKB-CQSZACIVSA-N 334.441 2.379 0 1 EEAF CC1(C)[C@H](O)[C@H](O)C[C@@]2(C)[C@@H]1CC[C@@H]1C[C@H]3[C@@H](O)[C@]12CC[C@]3(C)O 2356371757 PLILJVFREJTXNY-NYUYKASZSA-N 338.488 2.083 0 1 EEAF CC(C)Nc1nc(N2CCNCC2)nc(Cl)c1Br 28771601 XJHZFIAEXWBTRQ-UHFFFAOYSA-N 334.649 2.122 0 1 EEAF O=C(O)C[C@H]1CCN(C2CCC2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356777892 GQZXXLYEZXWBTF-OLZOCXBDSA-N 328.416 2.466 0 1 EEAF CCCCN1C(=O)[C@@H]2Cc3c(n(CO)c4ccccc34)CN2C1=O 148636331 WQGAPPUPMOXTJP-HNNXBMFYSA-N 327.384 2.080 0 1 EEAF CN1C[C@@H](C(=O)N(C)[C@@H](CN2CCCCC2)c2ccccc2)CC1=O 621431470 KZUHYRJBEQZTQY-ROUUACIJSA-N 343.471 2.150 0 1 EEAF CCOc1n[nH]c(-c2nc3c(S)nc(S)nc3[nH]2)c1Cl 587065565 UKJHRRUVEPGYFJ-UHFFFAOYSA-N 328.810 2.373 0 1 EEAF Cc1nn(Cc2nc3cccc(C(N)=O)c3[nH]2)c(C)c1Br 586978688 BNLHBPBYRHKMIY-UHFFFAOYSA-N 348.204 2.286 0 1 EEAF CC1(C)NC(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587597160 UBOBCIOWSLYHRU-DNVCBOLYSA-N 339.347 2.391 0 1 EEAF O=C(NCc1ccc(F)cc1)c1[nH]c(-c2ccccc2)nc(=O)c1O 205693910 RBJOSAOJJYPLJG-UHFFFAOYSA-N 339.326 2.212 0 1 EEAF CC[C@@H](C)C(=O)Nc1cc(=N)c2ncc3cc(C(=O)CCO)[nH]c1c32 2356342517 FHIVVNMJMIRBRH-SECBINFHSA-N 340.383 2.183 0 1 EEAF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4049320 PWBQLCUKFHNBBC-XCRHUMRWSA-N 341.411 2.438 0 1 EEAF CCc1cc2c(cc3c(=O)n(CC(=O)NC(C)C)nc(CC)n32)s1 6749589 ZIAOMUJGRYHNOD-UHFFFAOYSA-N 346.456 2.360 0 1 EEAF C[C@H](O)[C@@H](C)OC(=O)[C@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1 100057139 GOHDSZGHAHFEHG-UNSNBMSVSA-N 342.439 2.440 0 1 EEAF in-vitro COC(=O)c1sc2cc(-c3cnc(OC)nc3OC)cnc2c1N 66260006 OHXDGISPFZVDHE-UHFFFAOYSA-N 346.368 2.139 0 1 EEAF CC=C1CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H](CO)[C@H]1C[C@@H]24 2356516752 IJTKEUDLEABZCZ-ZNRKGROKSA-N 338.451 2.322 0 1 EEAF CC(C)[C@@H]1[C@H](O)[C@H](O)C2=C3OC(=O)C4=C3[C@](C)(CC[C@H]4O)CC[C@@]21C 2356550713 SCJWRCCFAICMEA-BRPYWSNWSA-N 348.439 2.063 0 1 EEAF COc1cc2c(cc1O)O[C@H]1c3cc(O)cc(O)c3CO[C@H]1C2=O 14559942 GYXFQXUNGYGMFB-IRXDYDNUSA-N 330.292 2.027 0 1 EEAF biogenic CCCc1c(Cn2ccnc2-c2cccnn2)ncn2nc(C)nc12 136903865 OJGKSXCBHJNZDG-UHFFFAOYSA-N 334.387 2.087 0 1 EEAF CC(C)=CCc1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@H](C)NC1=O 84652319 GJKHCIKADBBUPX-YVEFUNNKSA-N 325.412 2.222 0 1 EEAF O=C(N[C@H]1CN2CCC1CC2)c1cn(CC(F)F)c2ncccc12 142011176 XWIOHHYXJSQECA-AWEZNQCLSA-N 334.370 2.125 0 1 EEAF CN1C[C@@H](C(=O)NCc2ccc(F)c(Cl)c2Cl)N(C)C1=O 95565669 FFLYGISUGWQQRN-VIFPVBQESA-N 334.178 2.115 0 1 EEAF COc1cc2c(cc1OC)[C@]13C[C@H](OC)[C@H](O)C=C1CCN3CCC2 33830618 ZBIQTIQJLXNQFZ-UXPWSPDFSA-N 345.439 2.257 0 1 EEAF biogenic C/C=C\C[C@@H]1Cc2nc3nc(O)nc(O)c3cc2[C@@H]1CC(=O)OC 587559917 PDJDXELSEFHNNJ-HWKXXFMVSA-N 329.356 2.221 0 1 EEAF Cc1c2c(n(Cc3ccco3)c1C)N=CN1C=CS(=O)(=O)N[C@@H]21 169693179 IGBLRZRTKVICEZ-OAHLLOKOSA-N 332.385 2.124 0 1 EEAF CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 6560767 ZXJWUBIOSBLSFW-AWEZNQCLSA-N 348.428 2.256 0 1 EEAF COc1ccc([C@H](Cc2ccccc2)[C@H]2NC(=S)NC2=O)cc1 6411452 IWXWJOMNNDVWMS-JKSUJKDBSA-N 326.421 2.394 0 1 EEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Oc1ccccc1 100274600 LSSXITVLSRQODU-GBALJZQLSA-N 337.375 2.035 0 1 EEAF CO[C@H]1Cc2c(cnn2C)C2(CCN(Cc3ccccc3)CC2)O1 53295954 QHMYMCFFVCWDKG-GOSISDBHSA-N 327.428 2.457 0 1 EEAF O=C(O)CCCc1nc(CCCc2ccc3c(n2)NCCC3)no1 28568662 SCJPABKKXVDIIS-UHFFFAOYSA-N 330.388 2.405 0 1 EEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC(=O)[C@H]1[C@@H]3C[C@@H](C[C@@H]12)OC3=O 100494630 FJCWYLRNGKSUCH-KHJDYMPVSA-N 344.363 2.431 0 1 EEAF in-man Cc1c([C@@H](C)c2c(F)cccc2F)nc(N2CCOCC2)[nH]c1=O 28866769 CQFHTAOWHQBLSP-JTQLQIEISA-N 335.354 2.345 0 1 EEAF COC1=C2N(C)C[C@H]3OC(=O)c4cc5c(cc4[C@@]23CCC1)OCO5 2356501809 NLRDXUFTQOWCNA-CRAIPNDOSA-N 329.352 2.179 0 1 EEAF COC(=O)C1=C2[C@@](C)(C(=O)OC)C(=O)CC[C@]2(C)c2ccccc21 2356529534 JRSPUWVUJVKEPF-MOPGFXCFSA-N 328.364 2.427 0 1 EEAF Fc1cnccc1CN1C[C@@H](F)[C@H](OCc2nc3cccnc3[nH]2)C1 2356731003 SIQYJMQLFHFJJO-UKRRQHHQSA-N 345.353 2.231 0 1 EEAF CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C 66101620 MICCOFQDIRTHAT-ZBFHGGJFSA-N 349.431 2.059 0 1 EEAF CN1C(=N)N[C@](c2ccncc2)(c2cccc(-c3cccnc3)c2)C1=O 34804867 AIKOTXHNUIYVMD-HXUWFJFHSA-N 343.390 2.384 0 1 EEAF in-vitro C[C@]1(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)NC(=O)NC1=O 71335325 MWZCFWUWFDIBRP-LJQANCHMSA-N 333.347 2.250 0 1 EEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N1CCC1 222444909 ZQGMAEVBUDWZSM-UHFFFAOYSA-N 333.395 2.429 0 1 EEAF O=C(c1cnc(N2CCCC2)nc1-c1ccccc1)N1CCOCC1 82132642 NEXVMDPMGKZDNL-UHFFFAOYSA-N 338.411 2.216 0 1 EEAF COC[C@@H](C)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 261186316 XNXDBHAPSBKPAI-LLVKDONJSA-N 340.387 2.485 0 1 EEAF O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c([C@@H]3C[C@H]4CC[C@H]3C4)nc12 653630347 SCSLIIMUBOKELV-PWNZVWSESA-N 339.443 2.343 0 1 EEAF CS(=O)(=O)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 587040842 SCFXVZKQACKGHY-UHFFFAOYSA-N 332.410 2.266 0 1 EEAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cccc(OC)c41)[C@@H](C2)C3=O 587438119 CMVCSJAMTYXORY-JEOXALJRSA-N 337.331 2.299 0 1 EEAF COC(=O)c1nc(-c2ccc(C)c(Br)c2)nc(O)c1O 1857643299 PSNGLKNMPVBJRZ-UHFFFAOYSA-N 339.145 2.412 0 1 EEAF CCCn1c(=O)c2[nH]c([C@H]3C[C@H]4C=C[C@@H]3C4)nc2n(CCC)c1=O 12405416 LMZOGRHOEMOQIR-XQQFMLRXSA-N 328.416 2.386 0 1 EEAF CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CN(C)C 12574756 WTLZIKLZNOITIB-GOSISDBHSA-N 349.494 2.490 0 1 EEAF COc1ccc(-c2ccc(Nc3cc(=O)n(O)c(=O)n3C)cc2)cc1 1857617079 WUSZKBHMAGTNLD-UHFFFAOYSA-N 339.351 2.204 0 1 EEAF CC1(C)CC(=O)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2C1 1857749210 ONSFYFQHGOOTMW-UHFFFAOYSA-N 346.412 2.023 0 1 EEAF O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4055218 QVXUZKYOAVVAGX-UKRRQHHQSA-N 334.759 2.133 0 1 EEAF CNC[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C(C)C)c3c2)C1 103280583 MQMDWUOXOHTLLL-CYBMUJFWSA-N 343.427 2.326 0 1 EEAF COc1c2c(cc3oc(CO)cc(=O)c13)O[C@@H]1[C@@H]2CCC[C@]1(C)O 2356307894 BQKKVRYZINTZPY-YZOQQBSESA-N 332.352 2.073 0 1 EEAF COc1cc(CN2CCSCC2)cc2[nH]c(=O)c3c(c12)NCCC3 118734959 YNXOEUYHEZLUGK-UHFFFAOYSA-N 345.468 2.444 0 1 EEAF O=c1ccc2c([C@H](O)CNC3Cc4ccccc4C3)ccc(O)c2[nH]1 114733948 HHEMVSCLLFFBQM-GOSISDBHSA-N 336.391 2.024 0 1 EEAF in-vitro CC(C)(C)NCC(=O)N1CC[C@@H]1C(=O)c1nc2ccccc2s1 28455268 YOKPIHSZQNQBJC-GFCCVEGCSA-N 331.441 2.468 0 1 EEAF COc1ccc(C[C@@H]2COc3cc(O)c(OC)c(O)c3C2=O)cc1O 13481958 DSTDMPAJBBOFCE-SNVBAGLBSA-N 346.335 2.255 0 1 EEAF biogenic,in-vitro C[C@H](OC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1)[C@@H](C)O 40374159 GOHDSZGHAHFEHG-GYJQIRMQSA-N 342.439 2.440 0 1 EEAF CS(=O)(=O)c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 320694380 FDQQGSBQPHADKS-HNNXBMFYSA-N 330.365 2.479 0 1 EEAF C[C@@]1(C(=O)NCc2ccccc2)CSCC(=O)N1Cc1ccco1 199230809 XZYZSSCJGMGTHS-SFHVURJKSA-N 344.436 2.430 0 3 EEAF O=S(=O)(N[C@H]1CCc2c([nH]c3ccccc23)C1)c1cccnc1 1772625433 OVNACAUHHHTCAU-LBPRGKRZSA-N 327.409 2.399 0 1 EEAF Cc1ccc2c(c1)C(NCCN1CCOCC1)=Nc1cccnc1N2 13492096 SCBFFTBGJFYPAH-UHFFFAOYSA-N 337.427 2.447 0 1 EEAF O=C1C[C@H](c2ncc(-c3ccc4c(c3)OCCO4)[nH]2)CN1C1CC1 19147464 AMEKLVUGPOEWQL-LBPRGKRZSA-N 325.368 2.326 0 1 EEAF NC(=O)c1ccc(N2CCOCC2)cc1OCCc1ccccc1 1857761661 VCFFLTCJCNGJBT-UHFFFAOYSA-N 326.396 2.244 0 1 EEAF CN(CC(=O)O)[C@H](CO)Cc1ccc(OCc2ccccc2)cc1 1857768337 FCCDAKUYZOQSJS-KRWDZBQOSA-N 329.396 2.185 0 1 EEAF CC(C)NC(=O)CCS(=O)(=O)c1ccc(Br)s1 2602317 PBWQQQLCZDQSET-UHFFFAOYSA-N 340.264 2.199 0 3 EEAF O=C(CCS(=O)(=O)Cc1ccccc1F)NCc1ccco1 2966577 GZKOGCHJWCUQMY-UHFFFAOYSA-N 325.361 2.040 0 1 EEAF O=C(NCc1nnc2n1CCCC2)c1ccc([C@@H]2CCCO2)s1 65386721 APHQBCWZYIKNON-NSHDSACASA-N 332.429 2.457 0 1 EEAF CNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)NC(C)C 2356301836 GGQYUNMZVMKXLJ-HUUCEWRRSA-N 337.851 2.116 0 1 EEAF Cc1nc(C(=O)Nc2cccc([C@@]3(C)COCC(N)=N3)c2)c(C)o1 113655763 VAOTVYMHOSSUGC-QGZVFWFLSA-N 328.372 2.146 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3[C@H]2C=C2CCCC(C)(C)[C@]23O)OC1=O 2356556532 FIKOOQXJBAJJSE-JQZVDIJISA-N 346.379 2.139 0 1 EEAF O=C1NC(=S)N/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)s1 210355947 FZOUDNFZZSJJBC-SDQBBNPISA-N 342.401 2.431 0 1 EEAF CCOC(=O)c1ccc(-c2csc(NC(=O)C(=O)OC)n2)cc1 40466827 NBZIIDBCRPQELS-UHFFFAOYSA-N 334.353 2.098 0 1 EEAF C[C@H]1CC(=O)NCC/C=C\C[C@H](c2ccc3c(c2)OCO3)NC1=O 95662027 GKMKZNOOFURFIF-SZESAMFPSA-N 330.384 2.065 0 1 EEAF COc1cncc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587194861 YSGKTXGUEXFRNC-LLVKDONJSA-N 349.435 2.484 0 1 EEAF COc1c(F)ccc(F)c1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 587133233 PWCZWLWTBZKBDR-UHFFFAOYSA-N 339.323 2.164 0 1 EEAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587093163 XDRKWJYKDCZTHX-YFKPBYRVSA-N 327.266 2.274 0 1 EEAF COc1cccc2cc3c(nc12)[C@@]1(CC(=O)NC2(CCC2)C1)NCC3 963048038 RBPYDDXXZRBGDO-FQEVSTJZSA-N 337.423 2.417 0 1 EEAF Cc1c(O)ccc2c1[C@@]1(CC[C@H](N)c3ccccc31)N[C@H](C(=O)O)C2 963505956 DDCGGXNFKYPQPH-FTRWYGJKSA-N 338.407 2.337 0 1 EEAF OC[C@@H](O)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12 141871374 PRJPNUKRHKIXDU-CQSZACIVSA-N 329.787 2.488 0 1 EEAF NC(=O)N1CCCc2cc(-c3cncc(F)c3C3(O)CCC3)cnc21 1772613037 SGIZANZUMUGEBR-UHFFFAOYSA-N 342.374 2.486 0 1 EEAF CC[C@H](C)NC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1 5143826 LEHCZEKPXXAUFM-LBPRGKRZSA-N 333.461 2.460 0 1 EEAF CSCCC(=O)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 11663738 DYHYWVHTGNNFKB-UHFFFAOYSA-N 345.424 2.443 0 1 EEAF COC(=O)C[S@](=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 13584831 SVDJATZZTSSCDA-QCPUYCGNSA-N 343.876 2.297 0 1 EEAF C[C@@H]1C=C2OC(=O)C3=C2[C@H](C[C@@H](O)C3)[C@@]12C[C@@H](c1ccoc1)OC2=O 15169846 CFHHDFAUABSBHT-DMOKXHJLSA-N 342.347 2.412 0 1 EEAF CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2cc(-c3ccncc3)cn21 169330956 RIJFIAYCCAIZAK-HNNXBMFYSA-N 340.427 2.387 0 1 EEAF N[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)NCCCO 1857634871 BGUIMPOZOGHVRL-KRWDZBQOSA-N 344.480 2.335 0 1 EEAF CN1CCN(C[C@H](OC(=O)Cc2ccccn2)c2ccccc2)CC1 1857755401 IZMAVXUPKZHABB-IBGZPJMESA-N 339.439 2.156 0 1 EEAF COc1ccc(C[C@@]2(OC)COc3cc(O)cc(O)c3C2=O)cc1 2356383114 ARCKOGAKWIFSHD-GOSISDBHSA-N 330.336 2.309 0 1 EEAF CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)cccc21 45260702 GJBFVWNLEVOMBK-UHFFFAOYSA-N 335.300 2.338 0 1 EEAF C[C@@H](S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F 40632170 INBUIZKJGWBSQA-LURJTMIESA-N 336.740 2.394 0 1 EEAF COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccccn2)n1 40980801 BHXYDHWPQIADCG-ZDUSSCGKSA-N 327.388 2.112 0 1 EEAF Cc1ccc(CNc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)cc1 82212897 OHXIHCCTPSWODG-MRXNPFEDSA-N 339.443 2.407 0 1 EEAF C[C@H]1CCC[C@@H](O)[C@@H](O)CCCCc2cc(O)cc(O)c2C(=O)O1 84604605 UQKOGZRPLCDZQZ-TUKIKUTGSA-N 338.400 2.262 0 1 EEAF C[C@H]1C/C=C\[C@H](O)[C@@H](O)CC/C=C\c2cc(O)cc(O)c2C(=O)O1 238765971 NHAQNKDEUQPSIX-UZWXPOPMSA-N 334.368 2.118 0 1 EEAF CCOC(=O)c1ccc2c(c1)n(O)c(C(C)=O)c(C(F)(F)F)[n+]2=O 377845665 TVHXMJGCDOOULL-UHFFFAOYSA-N 345.253 2.191 0 1 EEAF Cc1cc2c(-c3cncnc3)cnc(NC3CCNCC3)c2nc1O 473126662 ULCFIUJWLNSSSM-UHFFFAOYSA-N 336.399 2.265 0 1 EEAF CO[C@H](C)COC1CCC(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CC1 587952757 WSBBIVGIOWFRMU-XNWIYYODSA-N 339.827 2.448 0 1 EEAF CN(Cc1nc2cccc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 586928440 BJTDGHMUENTQHD-UHFFFAOYSA-N 336.804 2.432 0 1 EEAF CC1=C(c2ccc3nc([C@H]4CC[C@@H](O)CC4)[nH]c3c2)NNC(=O)C1 586896206 KQGSHVUXXCTHMK-BJHJDKERSA-N 326.400 2.337 0 1 EEAF CN[C@@H](c1cccnc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587224160 GAJCEQDCFZJHDB-SFHVURJKSA-N 336.443 2.019 0 1 EEAF O=C([C@H]1Cc2ccccc2[C@@H](c2cn3ccncc3n2)N1)C(F)(F)F 962729635 INQNTOUOSSEMNV-DOMZBBRYSA-N 346.312 2.464 0 1 EEAF O=C1CC2(CCOCC2)C[C@@]2(C1)NCCc1c(C(=O)O)cccc12 963121697 KWNCMJYODFUOCM-LJQANCHMSA-N 329.396 2.276 0 1 EEAF CN(C)CCOc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1 164776537 FFQALRGADKPNQG-UHFFFAOYSA-N 349.398 2.350 0 1 EEAF O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc(F)cc1F 201448128 RIHIZZRWJUAWJT-UHFFFAOYSA-N 333.273 2.396 0 3 EEAF CC(C)(C)NC(=O)CN(CCc1ccccc1)C(=O)c1csnn1 4890272 XBLIKSYLJSTXJZ-UHFFFAOYSA-N 346.456 2.138 0 3 EEAF COC1=C[C@]2(CC(OC)=C1OC)O[C@]21COc2ccccc2C1=O 6018308 VPWNKBLLEAZSJZ-MSOLQXFVSA-N 330.336 2.208 0 1 EEAF OC[C@@H]1[C@H](O)C[C@H](NC2CCCCC2)[C@@H]1Cc1ccnc(C2CC2)n1 2356289110 POAOAAKLQHFLLT-YDZRNGNQSA-N 345.487 2.177 0 1 EEAF CC(C)(N)CC(=O)N[C@@H]1CCc2c(ccc3ccccc23)NC1=O 26744943 LAOHIOGIRCVAHC-MRXNPFEDSA-N 325.412 2.337 0 1 EEAF CCN1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)N(C)C1=O 95565048 FMEPQLRDTUFJSC-LBPRGKRZSA-N 330.215 2.366 0 1 EEAF O=C(C[C@H]1CCCN1)Nc1ccc(C(=O)Nc2nccs2)cc1 299857124 CPCOVXCUVCIEEO-CYBMUJFWSA-N 330.413 2.476 0 1 EEAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(OC[C@H]2CO2)cc1 587563365 RONKOIVMQLMEKS-LBPRGKRZSA-N 325.324 2.189 0 1 EEAF COc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)c(C(F)(F)F)c1 587096904 DZOSMOXOFRLYEG-UHFFFAOYSA-N 326.234 2.459 0 1 EEAF O=C(Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)NC1CC1 587556135 UWBOKGOFHKCBGX-UHFFFAOYSA-N 337.339 2.387 0 1 EEAF C=C1Nn2c(nc(C)c2[C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)S1 962903165 UDDQFPGTBPSQOS-WCQYABFASA-N 346.387 2.139 0 1 EEAF OC[C@H](NCc1ccnc(-c2ccc(C(F)(F)F)nc2)n1)C1CC1 204407547 DOAJPAJJWNXINH-ZDUSSCGKSA-N 338.333 2.418 0 1 EEAF Cc1cc(O)nc(-n2ncc(C(=O)N[C@@H]3CCc4ccccc43)c2C)n1 1857615995 XKXUDEBVSNRZLN-MRXNPFEDSA-N 349.394 2.402 0 1 EEAF O=c1[nH]c(=O)n(Cc2ccccc2CO)cc1Sc1ccccc1 6581753 WXWLUVBPCAKXFZ-UHFFFAOYSA-N 340.404 2.228 0 1 EEAF CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CNCC(OC)OC 29128196 KGCAQBRBCVWBSF-QFBILLFUSA-N 334.460 2.021 0 1 EEAF O=C(O)[C@H](Cc1ccccc1-c1ccccc1)NCP(=O)(O)O 29308142 ABJDGPZKERIHEM-HNNXBMFYSA-N 335.296 2.074 0 1 EEAF CN1CCN(c2c(F)cc3c(=O)cc4scc5n4c3c2OC5)CC1 101498755 DDMSEMYPMBLWIL-UHFFFAOYSA-N 345.399 2.298 0 1 EEAF CO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 103639346 HGJOWSAEGMQXGR-JNINTMOKSA-N 330.344 2.407 0 1 EEAF CN(C)c1cccc(-c2ncc(F)c(N3CCC(C(N)=O)CC3)n2)c1 66124569 SMBBJUVCQDVNQL-UHFFFAOYSA-N 343.406 2.050 0 1 EEAF COc1cc2c(cc1OC)[C@@H]1C(C)=c3ccc4c(c3=CN1C=C2)OCO4 2356870750 XUHTWMVMFSJWAX-FQEVSTJZSA-N 349.386 2.382 0 1 EEAF C[C@H](NCC(=O)Nc1c2c(nc3ccccc13)CCCC2)C(=O)O 29245326 YUGDFKVLARSXHT-NSHDSACASA-N 327.384 2.115 0 1 EEAF COc1cc2c(c(OC)c1OC)C(=O)O[C@@H]1CC=C3CCN(C)[C@@H]3[C@H]21 897541 OXFLPPXWFHSXSK-XPKDYRNWSA-N 345.395 2.369 0 1 EEAF biogenic O=C(CNCCCN1CCOCC1)Nc1cccc2ccccc12 39982060 XYWFRXKWKBGZHQ-UHFFFAOYSA-N 327.428 2.090 0 1 EEAF CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(N)=O)cs1 82071599 XFBNCQRCEZHKPF-GFCCVEGCSA-N 349.481 2.223 0 1 EEAF O=C(Cc1ccccc1)NCCNC[C@H](O)c1ccccc1Cl 40504005 NHEMQORDAMBJMB-KRWDZBQOSA-N 332.831 2.322 0 1 EEAF COc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCN(C(C)=O)C3)C(=O)N2 96272951 XCJXNMGPLVXHMC-PXNMLYILSA-N 337.379 2.421 0 1 EEAF Cc1ncsc1CN1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCCC2)C1 96065580 WOBLZCYDGHKADA-HRCADAONSA-N 349.500 2.347 0 1 EEAF COc1ccc(Cc2nc3c(N4CCN(C)CC4)cccn3n2)cc1 96169556 BWUKUPXMSFCDDO-UHFFFAOYSA-N 337.427 2.081 0 1 EEAF COc1ccc(CN2CN3Cc4ccccc4[C@H]3CS2(=O)=O)cc1 263590491 MOZCZDBJGROMEC-GOSISDBHSA-N 344.436 2.355 0 3 EEAF COc1ccccc1COc1ccc2c(c1)n1ncc(F)c1[nH][n+]2=O 377826564 GKVFVWIRISGAHO-UHFFFAOYSA-N 341.322 2.457 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Nn3cccc31)CC2=O 587482525 BYXUSFQPIAKCJZ-SFHVURJKSA-N 326.352 2.481 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncnc2N)N1 587746618 MYJVEFWEMNSBRG-CPFSXVBKSA-N 337.196 2.584 0 1 EEAF COC(=O)c1ccnc2[nH]c(Cc3ccc(OC)c(OC)c3)nc12 587927412 UJAUTPMXTIXOPF-UHFFFAOYSA-N 327.340 2.353 0 1 EEAF CON(C)C(=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755818 PHIARYMPPDCXDU-RMLUDKJBSA-N 345.212 2.357 0 1 EEAF Oc1nc(S)nc2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc12 587164962 GPTDDUGLDOVONA-UHFFFAOYSA-N 342.359 2.398 0 1 EEAF O=c1[nH]c2ccc(Cl)cc2n2c(=O)c(-c3ccc(F)cc3)nn12 13642897 UEWSJGMYAPQKKT-UHFFFAOYSA-N 330.706 2.095 0 1 EEAF O=C(N[C@H](CO)CC1CCC1)c1cnc(C2CC2)c(OCC2CC2)n1 207420581 AMPALMGOEWMKIA-HNNXBMFYSA-N 345.443 2.424 0 1 EEAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@H](NC2CCCCC2)C[C@H]1O 2356289109 POAOAAKLQHFLLT-INDMIFKZSA-N 345.487 2.177 0 1 EEAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccc(F)c1 2356298701 VQHBFSXVGBLKGL-VNHYZAJKSA-N 326.437 2.224 0 1 EEAF Cn1c(CO[C@@H]2CN(C3CCOCC3)C[C@H]2F)nc2ccccc21 2356670637 XHWZULODZRKBKX-RHSMWYFYSA-N 333.407 2.291 0 1 EEAF O=C(O)CNc1cc(-c2nccnc2N2CCCC2)c2cc[nH]c2n1 72126323 DSVMGJCRCYSHHT-UHFFFAOYSA-N 338.371 2.117 0 1 EEAF CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(C[C@@H]23)[C@@H](O)CCC4(C)C)OC1=O 136865596 VOFXXOPWCBSPAA-UETNADKCSA-N 346.379 2.139 0 1 EEAF endogenous,in-man CCCOP(=O)(OCCC)On1c(=O)[nH]c2ccccc2c1=O 40639488 LEXFPVGAIMDODU-UHFFFAOYSA-N 342.288 2.080 0 1 EEAF COc1ccccc1CCNCCCCN1C(=O)[C@@H]2CCCN2C1=O 96933530 WLBCSRHNYJTWBY-INIZCTEOSA-N 345.443 2.034 0 1 EEAF CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1 95793989 RGKXUGSMSURPDI-WOJBJXKFSA-N 336.435 2.248 0 1 EEAF Cc1cccc(NC(=O)c2nn(C)c(OC3CCOCC3)c2C)n1 95602584 GNHNPWRHVYJOBP-UHFFFAOYSA-N 330.388 2.242 0 1 EEAF Cc1c(C(=O)CN(C)Cc2ccccc2)[n+](=O)c2ccccc2n1O 653829340 GZNGZPDMLPQCQD-UHFFFAOYSA-N 338.387 2.416 0 1 EEAF CC(=O)N1c2c(O)cccc2[C@@]23CCN4CC[C@@H](C[C@@H]12)C1=CCO[C@]143 2356338960 FPEWLKWWYJYGBX-KGFWFAMKSA-N 338.407 2.147 0 1 EEAF COC[C@H](C)NC1=NN=C(c2cccs2)[C@H](CC(=O)O)S1 6175437 IGGQZDGYZHCHEV-WPRPVWTQSA-N 327.431 2.023 0 3 EEAF CC1=C[C@@]2(O)C(=O)[C@@H](C)C[C@@H]3[C@H](CC[C@](C)(O)/C=C/2[C@@H]1O)C3(C)C 102906920 SMGFYRJTHUJGEK-RFMLIELPSA-N 334.456 2.377 0 1 EEAF Cn1c(N2CCO[C@H](c3ccccc3)C2)nc(-c2ccncc2)cc1=O 103241144 INOJXUNPXDYZIP-SFHVURJKSA-N 348.406 2.420 0 1 EEAF CC1CCN(C(=O)COC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)CC1 102470997 HDAGKIKJPZASOW-GKVPXEHWSA-N 335.444 2.119 0 1 EEAF CN1[C@H](CN2CCCC2)C[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]21 107203132 NJZUBTGEGZYJTM-SQNIBIBYSA-N 347.528 2.308 0 1 EEAF COC(=O)Cc1cc(O)cc2oc(-c3ccc(N)cc3)cc(=O)c12 102990255 FQNJYXFYOCVFDM-UHFFFAOYSA-N 325.320 2.463 0 1 EEAF CC[C@@H](C)NC(=O)Nc1ccc2c(c1)N(S(=O)(=O)CC)CC2 33130117 MKNBWQPWINJURD-LLVKDONJSA-N 325.434 2.319 0 1 EEAF COc1ccc2cccc(CCNC(=O)CN3CCCC3=O)c2c1 33892206 SCEQZMXPNMSSRD-UHFFFAOYSA-N 326.396 2.130 0 1 EEAF C[C@]12CC[C@H]3[C@@H](CC[C@]45O[C@H]4C(O)=C(C(N)=O)C[C@]35C)[C@@H]1CC[C@@H]2O 49836465 RSGSNGFUKZTCGU-VNCAQQFYSA-N 347.455 2.429 0 1 EEAF COc1cc(C(=O)Nc2nnn[nH]2)nc(-c2ccccc2Cl)c1 84462197 WDDIBIHLOZEXJD-UHFFFAOYSA-N 330.735 2.176 0 1 EEAF O=C(N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1)C(F)(F)F 40414357 PZXBHACHVXPDRM-UHFFFAOYSA-N 338.333 2.079 0 1 EEAF Cc1ccc(-c2cc(C(=O)NCc3nccn3C(C)C)nc(N)n2)o1 45350933 FOBLNBXDRQYXQV-UHFFFAOYSA-N 340.387 2.335 0 1 EEAF NC(=O)c1ccccc1Nc1nc(Nc2cc[nH]n2)ncc1Cl 45203050 LQGRHZWZWSCDLT-UHFFFAOYSA-N 329.751 2.439 0 1 EEAF COc1cc2nc(S)n(CCN3CCCCC3)c(=O)c2cc1OC 82149561 OVNXGEVIXYLJES-UHFFFAOYSA-N 349.456 2.188 0 1 EEAF COc1cc(C2=NCc3ccnc(OC4CCOCC4)c32)ccn1 96175999 TYSHJICTENDYTO-UHFFFAOYSA-N 325.368 2.394 0 1 EEAF CC(C)[C@@H]1CCc2cnnn2COC[C@H](Cc2ccccc2)NC1=O 95663668 YXIFELGPQJYMRC-WMZOPIPTSA-N 342.443 2.198 0 1 EEAF CNc1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1 653760971 UIJTUNGBZZGOBB-UHFFFAOYSA-N 349.354 2.002 0 1 EEAF Nc1ccc(C(=O)CCc2nc3c(S)nc(S)nc3[nH]2)cc1 587252111 WIABCVQEASDDAP-UHFFFAOYSA-N 331.426 2.328 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1 587232325 WSXQJMNDPXFJNK-STQMWFEESA-N 345.399 2.298 0 1 EEAF N=c1[nH]cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)nc-2[nH]1 587225479 WYTVHDBSAZFKTI-OAHLLOKOSA-N 344.378 2.236 0 1 EEAF C=C(C(=O)O)c1cc(O)n(-c2ccnc(Br)c2)c1O 587940337 OFYUTRRCEBPQIR-UHFFFAOYSA-N 325.118 2.144 0 1 EEAF CN1C=C[C@@]2(CC1=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587593053 IXBZJNNNTAVFEF-LPHOPBHVSA-N 337.331 2.468 0 1 EEAF CC(C)n1nc(-c2cc(Cc3ccccc3)on2)c(C(N)=O)c1N 1772613552 ZRVFSQBUIMNGHD-UHFFFAOYSA-N 325.372 2.391 0 1 EEAF CC[C@H](C)NC1=NS(=O)(=O)c2cc(Br)ccc2N1 13524717 FMMDYVAEIOJPRK-ZETCQYMHSA-N 332.223 2.307 0 1 EEAF CN(C)C(=O)c1ccc(OC/C(=C\F)CN)c(Br)c1 205699659 BFMFULIMAYZSQJ-TWGQIWQCSA-N 331.185 2.342 0 1 EEAF CCOC(=O)/C(C(=O)Nc1ccc(Cl)cc1)=C(/N)N1CCCC1 1655329 MNWVAFZMBCZOJW-YPKPFQOOSA-N 337.807 2.108 0 1 EEAF COc1cc(C[C@@H]2OC(=O)C=C2c2ccc(O)cc2O)ccc1O 207315712 AEJPJQHQRQSQJZ-INIZCTEOSA-N 328.320 2.364 0 1 EEAF CC(=O)Nc1nccc(-c2cccc(NC(=O)CCCN(C)C)c2)n1 1857743871 XUNDVQINLKMITI-UHFFFAOYSA-N 341.415 2.382 0 1 EEAF COc1ccccc1Cn1c(C)nc2c(N3CCNCC3)ccnc21 1857750250 AGTXDSXXULSBDI-UHFFFAOYSA-N 337.427 2.206 0 1 EEAF O=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)nc1 117713424 SXFVPSRPNRHHPX-HNNXBMFYSA-N 331.803 2.326 0 1 EEAF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1[C@H](O)c1ccc(O)cc1 2356390225 UNGLKYLAUBUKBF-MORSLUCNSA-N 342.347 2.186 0 1 EEAF COc1cc2c3c(c1OC)-c1ccccc1[C@H]1C(=O)C(=O)N(CC2)[C@@H]31 2356401169 VHCGUBVZFHGPAY-SJORKVTESA-N 335.359 2.477 0 1 EEAF O=C(O)CCCc1ccc(NC(=O)[C@H](O)[C@@H](O)c2ccccc2)cc1 26575506 FIBDCYWSAATLNF-ZWKOTPCHSA-N 343.379 2.127 0 1 EEAF CCCN(CCC)CCNc1n[n+](=O)c2ccc(Cl)cc2n1O 28867030 FXJRHRZXUMSYDA-UHFFFAOYSA-N 340.835 2.375 0 1 EEAF O=C(O)C[C@H]1CCN(C(=O)C2CC2)C[C@H]1Cc1nc2ccccc2[nH]1 2356483545 OFTKLZBPQAHASL-ZIAGYGMSSA-N 341.411 2.455 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45c6ccc(OC)cc6N(C)[C@@H]4[C@H]2C[C@H]1[C@@H]3[C@H]5O 2356781836 JNJWVFXAUHZWHI-GISGZELUSA-N 338.451 2.165 0 1 EEAF CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]1Cc1ccccc1 13429871 YZUOZVNKLNYNTM-OALUTQOASA-N 347.418 2.279 0 1 EEAF biogenic CC(C)n1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)CCN2 82204523 BNDCSOMRYXTHFP-UHFFFAOYSA-N 340.383 2.375 0 1 EEAF Cc1ccc2c(c1)[C@H](CS(=O)(=O)NCc1ccc(F)cc1)NC2 96020236 UKNDCRPXVMCGCY-KRWDZBQOSA-N 334.416 2.398 0 3 EEAF CC(=O)C[C@@H](O)CC(=O)[C@H]1OC(=O)CCC=CCc2ccccc21 299813917 LBRGXKIEUSFACK-BEFAXECRSA-N 330.380 2.463 0 1 EEAF CCS(=O)(=O)NCCCc1nc2ccc3nc(C)ccc3c2[nH]1 586944749 ZCMFSYYJPDGWFS-UHFFFAOYSA-N 332.429 2.291 0 1 EEAF CCOC(=O)Cc1nc2cccc(I)c2[nH]1 587777790 XULJJDUWJCFHMR-UHFFFAOYSA-N 330.125 2.273 0 1 EEAF COC(=O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658864 TUSVVLKIBNWFDS-UHFFFAOYSA-N 326.283 2.016 0 1 EEAF CCOC(=O)[C@@H](CCOC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442581 QZYWDQMXQNFICX-LPMFXHHGSA-N 348.395 2.417 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2ccon2)N1 962641600 PQEKGCFCUDIDPA-JOYOIKCWSA-N 328.246 2.262 0 1 EEAF CC(C)c1nn(C)c2c1[C@@](c1ccccc1)([C@H]1COC(=O)C1)NCC2 962915620 APPOCTRPGFEEIL-FOIQADDNSA-N 339.439 2.496 0 1 EEAF O=S(=O)(c1ccccc1)N1CCN(C[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 169310451 FDYPBYQEBCFWLS-BRWVUGGUSA-N 332.469 2.205 0 1 EEAF Cc1cn(-c2ccncc2N2CCC(C(=O)NC3CC3)CC2)nc1C 1857603337 ONXRFVODCFWMLD-UHFFFAOYSA-N 339.443 2.379 0 1 EEAF F[C@@H]1CN(Cc2nccs2)C[C@H]1OCc1nc2cnccc2[nH]1 2356393526 MIDFHCTTYKNPKD-ZWNOBZJWSA-N 333.392 2.154 0 1 EEAF C[n+]1cccc(C(=O)Nc2ccc([125I])cc2)c1 102087912 VEOYZOIQVXBOEJ-XSBOKVBDSA-O 337.157 2.368 0 1 EEAF CC=C(C)[C@@H]1Oc2ncc(-c3ccccc3)c(O)c2C1(CO)CO 2356688588 FKZNPCVXRTWCQK-KRWDZBQOSA-N 327.380 2.404 0 1 EEAF Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1CCN(C)C 64448325 RUKMPYVDWDEZDQ-UHFFFAOYSA-N 346.818 2.004 0 1 EEAF CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1OC[C@@H](O)[C@H]1O 32063964 SXFPESHSABVKRF-JHJVBQTASA-N 346.214 2.414 0 1 EEAF COc1cc(Cn2cnc3cc(OC)c(OC)cc3c2=O)ccc1O 299827388 GJKKCCIXGMRIHJ-UHFFFAOYSA-N 342.351 2.176 0 1 EEAF CN1CCN(c2ccc3nc(-c4nnn(C)c4C(F)F)[nH]c3c2)CC1 587129143 SKDRELOCZFIWLQ-UHFFFAOYSA-N 347.373 2.048 0 1 EEAF N[C@@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccccc1Cl 587059727 UQMHZNMGNAUFSH-ZDUSSCGKSA-N 339.790 2.435 0 1 EEAF CC1([C@@]2(C)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)COC1 962646118 WMJKVSVFPIABCC-WFASDCNBSA-N 345.317 2.436 0 1 EEAF Cc1ccc(-n2c(O)c(C=N)c(=O)n(-c3ccc(C)cc3)c2=O)cc1 1779542994 PJLFEVRBRDMZLI-UHFFFAOYSA-N 335.363 2.309 0 1 EEAF O=C1CC(C[C@H](O)[C@@H]2CCCC[C@@H]2O)CC(=O)N1c1ccccc1 5539401 MMFRIPIYQJMEFA-IKGGRYGDSA-N 331.412 2.258 0 1 EEAF O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Cl)c1 169303917 KVTCHDSYFPESLK-PLJUSGQGSA-N 342.782 2.038 0 1 EEAF O[C@@H]1C[C@@H]2CC[C@H]3N4[C@@H]2[C@H](CO[C@H]4[C@@H]2CCC[C@H]4CCCN3[C@H]42)C1 2356390101 QGSCHHAXALLULW-OUBCPKIQSA-N 332.488 2.415 0 1 EEAF Cc1ccc(-c2cc(C(=O)NCc3csc(C)n3)nc(N)n2)o1 62260191 IASIGJTVTSPGAJ-UHFFFAOYSA-N 329.385 2.322 0 1 EEAF CCCn1c(O[C@H]2CC[C@H](O)C2)nc2nc(C3CCCC3)[nH]c2c1=O 117405587 PNEYYIGJYQFLFP-STQMWFEESA-N 346.431 2.479 0 1 EEAF COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2OC)cc1OC 2356545991 VTFBVXOENQUZIV-ZWKOTPCHSA-N 346.335 2.446 0 1 EEAF COC(=O)C1CCN(CCCOc2cccc(NC(C)=O)c2)CC1 26644746 XIXSBXPAEFPBGH-UHFFFAOYSA-N 334.416 2.299 0 1 EEAF CC[C@@H](C)[C@@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1 28114417 KXLGGGVERDOKEQ-MLGOLLRUSA-N 343.431 2.463 0 1 EEAF Cc1cc(C)n2nc(N(C)C)c(S(=O)(=O)c3ccccc3)c2n1 71318220 YBQJHPSFWWRXNX-UHFFFAOYSA-N 330.413 2.245 0 1 EEAF NCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c2ncccc21 45288038 XNTQMUOLSNCKFE-UHFFFAOYSA-N 335.816 2.481 0 1 EEAF CC[C@@H](CO)NC(=O)c1cc2cc(Br)ccc2oc1=N 84705613 ZUCILFMZMNRNCQ-JTQLQIEISA-N 339.189 2.175 0 1 EEAF CCOC(=O)CCc1nc2nc(N3CCC(C)CC3)ccc2[nH]c1=O 82231675 MLEKYDXXUPVIFM-UHFFFAOYSA-N 344.415 2.050 0 1 EEAF COC(=O)CCC(=O)c1c(CO)oc2cc(Br)cnc12 587273918 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CVVZNISIUJDTBN-CYBMUJFWSA-N 336.438 2.203 0 1 EEAF CO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN21 103215212 MWULQWABMSNGLF-PSASIEDQSA-N 344.824 2.372 0 1 EEAF CCOC(=O)C1CCN(Cc2c(O)oc3ccccc3c2=O)CC1 20272266 FBVNVVXFKUIVAS-UHFFFAOYSA-N 331.368 2.274 0 1 EEAF CC(C)=CCOc1cc(O)c2c(=O)c(=O)c(=O)c3c(O)cc(C)c1c32 2356788327 CBZICGWRQATLAT-UHFFFAOYSA-N 340.331 2.014 0 1 EEAF O=C(NCCc1cnc[nH]1)c1ccnc2nc(-c3cccs3)[nH]c12 145145143 DQDBPSGERGZEHH-UHFFFAOYSA-N 338.396 2.382 0 1 EEAF Cc1[nH]ncc1-c1cc2nc(CCN3CCCC3)[nH]c(=O)c2s1 145171944 OAULMYPUJIIBNW-UHFFFAOYSA-N 329.429 2.321 0 1 EEAF CC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2c1 586931330 RBTZYZHBQCKOOL-UHFFFAOYSA-N 333.369 2.276 0 1 EEAF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(O)cc3[nH]2)cc1 586931571 FVUUQKACIYDPRQ-UHFFFAOYSA-N 347.396 2.098 0 1 EEAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(C(C)(OC)OC)[C@@H](C2)C3=O 587430545 VIFLZBYMEGDKID-DUVFVLQZSA-N 347.411 2.266 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)C2)N1 587847799 YKIWJJPAUOHAFF-ISVAXAHUSA-N 348.237 2.136 0 1 EEAF CCCS(=O)(=O)n1nc(-c2ccc(Br)cc2)cc1N 5034758 SWSXIEASMCGDJR-UHFFFAOYSA-N 344.234 2.483 0 3 EEAF Cc1ccc(-n2nnc3c(NNc4ccccc4)n[nH]c(=O)c32)cc1 17261343 AQMWRZRCRUSQLD-UHFFFAOYSA-N 333.355 2.251 0 1 EEAF CC(C)CN1CCC(c2nc3cncc4c3n2CCNC4=O)CC1 1857535326 QBGORSWTCHSEMS-UHFFFAOYSA-N 327.432 2.010 0 1 EEAF CC(C)NC(=O)n1ccc(-c2nn(-c3ccc(F)cc3)ccc2=O)n1 121520 KSQGVUHPWSUYIM-UHFFFAOYSA-N 341.346 2.201 0 1 EEAF O=c1onc2n1-c1cc(Cl)ccc1C(=S)N1CSC[C@@H]21 1649461 FBJOAKRURSFJDI-VIFPVBQESA-N 325.802 2.215 0 1 EEAF O=P(O)(O)C(Nc1cccc(Cl)c1Cl)P(=O)(O)O 103211004 MHZIAHXWTPYINE-UHFFFAOYSA-N 336.004 2.044 0 1 EEAF Cc1cccc(-n2nnnc2-c2ccc3c(c2)C=CS(=O)(=O)O3)c1 103262762 WGNXLAALLKSXRS-UHFFFAOYSA-N 340.364 2.331 0 1 EEAF CCC1=C(Sc2cc(C)cc(C)c2)[C@H](COCCO)C(=O)NC1=O 102816294 SEJVZZWRFRVERW-HNNXBMFYSA-N 349.452 2.341 0 1 EEAF CC[C@H](C(=O)OCCc1ccccc1)[C@H](CO)Cc1cncn1C 28090969 IBOQTFSONQUXRY-WMZOPIPTSA-N 330.428 2.383 0 1 EEAF C[C@@H](Oc1ccc(CCNC[C@H](O)c2ccccc2)cc1)C(=O)O 29057983 HLUSMAFXENNUTF-KDOFPFPSSA-N 329.396 2.404 0 1 EEAF CC(C)C(=O)N1C(=O)[C@@H](C)[C@H]2[C@@H]1CCN2C(=O)OCc1ccccc1 29471373 ZPUFWANFYLMZTO-BPUTZDHNSA-N 344.411 2.427 0 1 EEAF CSc1nc(N)nc2c1ncn2CC(=O)Nc1ccc(C)c(C)c1 61947348 ZIZGTOKJEPSLSW-UHFFFAOYSA-N 342.428 2.386 0 3 EEAF C=CC(=O)N1CCC(Nc2ccc(C(N)=O)c3[nH]c(C)c(C)c23)CC1 1911575254 GSSZLJQLTKOXPS-UHFFFAOYSA-N 340.427 2.473 0 1 EEAF N=C(N)Nc1ccc(Cc2ccc(NC(=O)CCCN)cc2)cc1 95596362 KBQOKCUQRYKJGX-UHFFFAOYSA-N 325.416 2.260 0 1 EEAF C/C(=C\C=C/[C@H](C)/C=C/CC(C)C)[C@H]1[C@@H](O)C=C(CO)[C@@H](O)[C@@H]1O 238787832 RLFDVGHDISQUKQ-NLWMUFNHSA-N 336.472 2.359 0 1 EEAF O=C(O)C[C@H](O)Cc1nc2cc(Br)cc(Cl)c2[nH]1 586893132 WIMCJCJUVJRTDL-ZCFIWIBFSA-N 333.569 2.357 0 1 EEAF COC(=O)c1ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2n1 587118594 RVXJRTDHDCGQJM-UHFFFAOYSA-N 325.250 2.164 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)CCO)nc1)O2 587388064 VGLRQFBWTGCBMC-MRXNPFEDSA-N 327.384 2.107 0 1 EEAF O=C(CCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(F)cc1 587163777 STRAKKWNDIVLLA-UHFFFAOYSA-N 336.330 2.493 0 1 EEAF CC(C)(C)OC(=O)NC1(c2nc3c(N)ccnc3[nH]2)CCC(O)CC1 587237751 VWMDACKEMJEWDE-UHFFFAOYSA-N 347.419 2.195 0 1 EEAF CCOC(=O)C[C@]1(c2cccnc2)NCCc2c1c(C(C)C)nn2C 962917933 MHKREMPTUMDAEE-LJQANCHMSA-N 342.443 2.281 0 1 EEAF COC(=O)N1C(=O)[C@@](c2ccc(OC)cc2)(C(C)C)N1C(=O)OC 15924751 MFCNPPLTGGUOKM-INIZCTEOSA-N 336.344 2.139 0 3 EEAF CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(C[C@@H](O)CN1CCCCCC1)C2=O 169357512 HVUSCPODFBEQJZ-QMTMVMCOSA-N 336.476 2.035 0 1 EEAF NCc1cccc(N=c2[nH][nH]c3ncnc(Nc4cccc(O)c4)c23)c1 1857761047 OUMZUIUUJCKLOT-UHFFFAOYSA-N 347.382 2.426 0 1 EEAF CC(C)(C)OC(=O)NC12C3C4C1C1C2C3C41NC(=O)OC(C)(C)C 1647632 GLIIDSDAHUGWAH-UHFFFAOYSA-N 334.416 2.279 0 1 EEAF CC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cccn3C)C2)C1 3955890 IJOYXCOLUAOPBJ-GOSISDBHSA-N 332.448 2.071 0 1 EEAF CCN1c2ncccc2C(=O)N(C)c2ccc(N3CCOCC3)nc21 6385171 FMWNAIUESNDFAN-UHFFFAOYSA-N 339.399 2.061 0 1 EEAF C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)C1 6893607 ZYKHAOUSYJDULJ-ZDUSSCGKSA-N 339.461 2.061 0 3 EEAF CCCn1c(SCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)n[nH]c1=O 9662767 LQPUXHHJUXDDPP-SRVKXCTJSA-N 326.466 2.014 0 1 EEAF COC[C@@H]1CCCN1C(=O)c1c(-c2cccnc2)noc1[C@@H](C)O 2356302804 BYJWWMWOBWJEDB-YPMHNXCESA-N 331.372 2.041 0 1 EEAF Cc1ccc(C(=O)Oc2ccc(C[C@H]3NC(=S)NC3=O)cc2)cc1 103199783 GKIMOTSMVRWASU-OAHLLOKOSA-N 340.404 2.130 0 1 EEAF O=C(CN1CCN(C2=NCCC=N2)CC1)Nc1cccc2ccccc12 1911586257 JLANZRAZMFZERZ-UHFFFAOYSA-N 349.438 2.226 0 1 EEAF CCCn1c(=O)c2c(cc(-c3ccc(N)cc3)n2O)n(CCC)c1=O 40848313 FWQLXYWLYBRNKT-UHFFFAOYSA-N 342.399 2.271 0 1 EEAF Cc1cc2c(-c3ccc(NS(=O)(=O)CCN)cc3)ccnc2[nH]1 40943162 UWDMHLZUTCJHIF-UHFFFAOYSA-N 330.413 2.239 0 1 EEAF NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc2c(c1)OCO2 199710911 LJMRBRDFAMBWBX-UHFFFAOYSA-N 349.346 2.323 0 3 EEAF C[C@H]1C/C=C\[C@H](O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 238755234 NHAQNKDEUQPSIX-BJHVMHETSA-N 334.368 2.118 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(C=C(CO)OC=C1OC)CC2=O 587483096 RAVBEJMQGNXQKY-SFHVURJKSA-N 332.352 2.443 0 1 EEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(F)cnc(Cl)c2[nH]1 587256399 HOWROGXROJKAAB-MRVPVSSYSA-N 328.775 2.352 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccnc(NN)c1 587871298 FGQMENLLMCRASX-UHFFFAOYSA-N 341.346 2.457 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C3CCN(C)CC3)CC1)O2 587395466 MIAJMCCRPGODFW-UHFFFAOYSA-N 343.471 2.471 0 1 EEAF C[C@H](CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1 15769461 MWHRNXYGUDUFMH-OAHLLOKOSA-N 343.427 2.258 0 1 EEAF Cc1ccccc1C[n+]1cccc(Cn2nnc3ccccc3c2=O)c1 1857542387 VOGRIZJNUSQYFT-UHFFFAOYSA-N 343.410 2.484 0 1 EEAF CCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(F)cc3)nc12 1857611870 RIZIQDWMRUCOSD-UHFFFAOYSA-N 329.331 2.174 0 1 EEAF CN(C(=O)C12C3C4C1C1C2C3C41C(=O)N(C)C(C)(C)C)C(C)(C)C 1626443 GWXNNJDKFDIEOX-UHFFFAOYSA-N 330.472 2.238 0 1 EEAF O=S1(=O)C[C@H]2SC(Nc3ccc(Br)cc3)=N[C@@H]2C1 2463059 BALQLQNVHNGMAU-NXEZZACHSA-N 347.259 2.129 0 1 EEAF Cc1cccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C[C@H]2C)c1 3048979 XIZZOKRHJDSUBY-AEFFLSMTSA-N 343.471 2.432 0 1 EEAF CCCCCS(=O)(=O)c1ccc(Cl)cc1[C@H]1NC(=O)NC1=O 3795879 KIWGOJFEYDUYQS-GFCCVEGCSA-N 344.820 2.184 0 1 EEAF CCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H](C)C[C@@H](C)C(=O)O 28264183 FYGXHTCBEFEFEV-JMSVASOKSA-N 333.384 2.254 0 1 EEAF Cc1ncc(C)n2nc(CCc3cn(C)c(-c4cscn4)n3)nc12 117872466 SIWJOOBIZXREJL-UHFFFAOYSA-N 339.428 2.383 0 1 EEAF C[C@@H](NCC(=O)Nc1c2c(nc3ccccc13)CCCC2)C(=O)O 29245318 YUGDFKVLARSXHT-LLVKDONJSA-N 327.384 2.115 0 1 EEAF CC(=O)Oc1c2c(cc3ccc(=O)oc13)C[C@H](C(C)(C)OC(C)=O)O2 2356630467 SFALCQLWCMJFHB-CYBMUJFWSA-N 346.335 2.364 0 1 EEAF CC1(C)C[C@H](O)C[C@]2(C)[C@@H]1[C@H](O)C[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 2356733617 KNCLQQIOJPEOIX-JDYPGNFISA-N 338.488 2.084 0 1 EEAF C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)c1ccco1 61907760 HQBASBOQFWIOSV-GOSISDBHSA-N 342.351 2.294 0 3 EEAF COc1ccc(C(c2ccc(OC)c(O)c2)n2cncn2)cc1O 40412464 VNPBMNVOYOBQLB-UHFFFAOYSA-N 327.340 2.344 0 1 EEAF O=S1(=O)C[C@@H]2c3ccccc3CN2CN1Cc1ccc(F)cc1 96020165 SGBYOEDTGRXQPO-QGZVFWFLSA-N 332.400 2.486 0 3 EEAF CN1[C@@H]2CN(C(=O)c3ccc(F)cc3)c3ccccc3[C@@H]2[C@@H]1CO 95894717 YJFOHBYNLUUPSE-SQNIBIBYSA-N 326.371 2.245 0 1 EEAF O=C(N[C@@H](c1cccs1)C1CC(O)C1)c1ccc2n[nH]nc2c1 230507212 ACZNBTNRIDZYSH-QKFMDRJYSA-N 328.397 2.261 0 1 EEAF C1CCCC(N2CN=C(N[C@@H]3N[C@H]4CCCC[C@H]4S3)NC2)CC1 299811087 VWYPFCRPUPGYHO-UXLLHSPISA-N 337.537 2.406 0 1 EEAF Cc1nccc2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc12 587170871 UJUCQTMLSOMCHK-UHFFFAOYSA-N 334.376 2.226 0 1 EEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(CO)cc2[nH]1 587223727 FCUIPIAXCOUDBY-LBPRGKRZSA-N 325.368 2.139 0 1 EEAF Cc1ccc2nc(-c3nccnc3I)[nH]c2n1 587186621 LIKMZRUOYGSNJI-UHFFFAOYSA-N 337.124 2.328 0 1 EEAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(O)nccc3[nH]2)cc1 586950408 GLXIMOSQOHMREK-UHFFFAOYSA-N 332.385 2.481 0 1 EEAF NS(=O)(=O)c1cccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587033949 AETHPWBKBSNCGI-LLVKDONJSA-N 349.437 2.128 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)N(C)C)N1 587743151 VYPQKGJWAXIQJE-CLAHSXSESA-N 329.213 2.426 0 1 EEAF CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21NC[C@H]2CC(=O)N(C)c3cccc1c32 963038657 ZNIRVEHPQJXLSU-YMUONNBESA-N 340.423 2.154 0 1 EEAF CC(=O)OC[C@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962656678 BVAANHSDJMENND-MOPGFXCFSA-N 342.395 2.112 0 1 EEAF Cc1nc2c(N3CCOCC3)nccn2c1-c1cnn(CC2CC2)c1 169334424 ZWANELLPCYSXBD-UHFFFAOYSA-N 338.415 2.148 0 1 EEAF C[C@@H]1CCCCN1S(=O)(=O)c1ccc(-n2c(O)ccc2O)cc1 169729715 BCICUBARCLSFCL-GFCCVEGCSA-N 336.413 2.452 0 1 EEAF Cc1ccc(NC[C@H](O)Cn2nnnc2-c2ccccc2)cc1F 6822691 UFBGRFGVDXFFIX-HNNXBMFYSA-N 327.363 2.261 0 1 EEAF CCCn1c(=O)c2nc(-c3csc(C)n3)[nH]c2n(CCC)c1=O 100644785 KLNMDWXOKKWGJH-UHFFFAOYSA-N 333.417 2.138 0 1 EEAF COc1ccc(OC)c(CNc2nc3nc(C)c(C)c(O)n3n2)c1 100695410 ZFCUTDLMZYNIPV-UHFFFAOYSA-N 329.360 2.076 0 1 EEAF Cc1cccc(O[C@@H]2COCCN(C(=O)COc3ccccc3)C2)n1 2356299535 KJYGLASBGORZOI-KRWDZBQOSA-N 342.395 2.075 0 1 EEAF Cc1cc(C(=O)N[C@@H](C)c2onc(-c3cccnc3)c2C(=O)O)no1 2356300029 SIUDGPWAIAZXGC-VIFPVBQESA-N 342.311 2.222 0 1 EEAF COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@@H]1C=CO[C@@]1(C)O2 2356461242 YSUCHUGGULCMTR-YYSFKGJASA-N 342.303 2.251 0 1 EEAF COC(=O)[C@@H]1[C@H](C(=O)OC)ON(Cc2ccccc2)[C@H]1c1ccco1 16919537 UCQXBVHHWBPBGT-HRCADAONSA-N 345.351 2.099 0 1 EEAF biogenic Cc1[nH]c(C(=O)NC2CCN(c3nnco3)CC2)c(Cl)c1Cl 73158282 PHYZMOOYLSISJA-UHFFFAOYSA-N 344.202 2.412 0 1 EEAF Nc1cc(OCCNc2ccnc3cc(Cl)ccc23)nc(N)n1 95596795 JUWWLANQZIJYFV-UHFFFAOYSA-N 330.779 2.334 0 1 EEAF CNS(=O)(=O)c1ccc(CCc2nc3cccc(F)c3[nH]2)cc1 586947121 SUOBFEFWVUGCKC-UHFFFAOYSA-N 333.388 2.395 0 1 EEAF CN1CCN(c2ccc3nc(-c4nc(Cl)cnc4N)[nH]c3c2)CC1 587086008 BPIVVMLVRVCJAX-UHFFFAOYSA-N 343.822 2.007 0 1 EEAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587195468 KMWPAYGUAKIVND-NSHDSACASA-N 344.440 2.428 0 1 EEAF CN[C@@H](c1cccnc1)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587225815 YDISINYJGWGRKZ-HNNXBMFYSA-N 326.356 2.062 0 1 EEAF CCCCCCC[C@H](O)CC[C@H](NC(=O)C(C)(C)CO)C(=O)OC 200290589 MNERJHYWFIOPJM-GJZGRUSLSA-N 345.480 2.164 0 1 EEAF COc1ccc(CCNC(=O)C(=O)Nc2cncc(Cl)c2)cc1 1857772885 WYLUBZRPFKHCSD-UHFFFAOYSA-N 333.775 2.041 0 1 EEAF COc1cc([C@@H]2CC(=O)c3c(cc(O)c(OC)c3O)O2)c(O)cc1O 2356415091 ZHUHDWWIWZKZRF-LBPRGKRZSA-N 348.307 2.233 0 1 EEAF Cc1c(N2CCCO2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520772 HXDSENNGNINECW-UHFFFAOYSA-N 332.331 2.464 0 1 EEAF O=c1[nH]c2ccccc2nc1Cc1nnc(S)n1-c1ccccc1 103272650 DMNGVPVFRYZGHQ-UHFFFAOYSA-N 335.392 2.383 0 1 EEAF CCN(CC)CCNC(=O)c1ccccc1[123I] 101087186 WNSWOZIBBVUJBI-CKVWVWRJSA-N 342.214 2.363 0 1 EEAF CCN1CC(C)(C)OC(=O)[C@@H]1CC(=O)NCc1ccc(Cl)cc1 117778665 YFEFXZMGVVLTDP-AWEZNQCLSA-N 338.835 2.372 0 1 EEAF CC(C)(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(C2CC2)n1 2356574464 AKPUQTLELMMLOB-FJIDUMEYSA-N 347.503 2.280 0 1 EEAF CC1=CC[C@H](OS(=O)(=O)O)[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@H]12 2356649513 OWJMDQVDMYDESK-AQEIEYEASA-N 330.402 2.118 0 1 EEAF NC(=O)Cc1cc(=O)oc2cc(OCc3cccc(O)c3)ccc12 36518208 DPWLNJLKZUDWPZ-UHFFFAOYSA-N 325.320 2.105 0 1 EEAF CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@H](OC)COC(=O)C/C=C\[C@H]1C 137003350 XHGSXZXWBLXYTP-PXSJXKHKSA-N 340.416 2.281 0 1 EEAF CCOC(=O)c1cc(-c2sc(-c3cccnc3)nc2CO)n[nH]1 49054849 YJDBUGHLUPJGHC-UHFFFAOYSA-N 330.369 2.264 0 1 EEAF CCOC(=O)CN1CCN(c2ncc(C)c(NC(CC)CC)n2)CC1 82203116 HTSXLRVBNYQPMC-UHFFFAOYSA-N 349.479 2.071 0 1 EEAF CC1(C)C[C@H](O)C[C@](C)(CNc2cccc(S(N)(=O)=O)c2)C1 84605186 UDLUYVVEARTGHQ-BBRMVZONSA-N 326.462 2.323 0 1 EEAF O=S(=O)(C[C@H]1NCCc2ccccc21)NCc1ccc(F)cc1 96019115 KHGOOLAVYCVYIU-QGZVFWFLSA-N 334.416 2.132 0 3 EEAF CC(C)N1CCO[C@H]2CN(C(=O)NCc3ccccc3)CC[C@@H]2C1 299843438 RPLPXUWEKQGQNB-MSOLQXFVSA-N 331.460 2.327 0 1 EEAF CCO[C@H](/C=C/C=C/[C@H](C)O)CC/C=C/C(=O)NCC(C)(C)O 653690523 QYFDCLLLDJSPJX-DWNBWPGZSA-N 325.449 2.108 0 1 EEAF O=C(Cc1ccccc1)NCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587228016 DMMCAXKCRAWLLL-UHFFFAOYSA-N 348.406 2.349 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-n3cnnn3)c1)O2 587389964 DWFQXXYQLAIMJA-SFHVURJKSA-N 335.367 2.434 0 1 EEAF CCOC(=O)[C@@H]1CSCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454344 WGXUUMDOOZLOEY-VBHSOAQHSA-N 348.420 2.498 0 1 EEAF C[C@@](O)(C[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21)C1CCOCC1 962913765 RKCCNZBBDRUGMK-HDMKZQKVSA-N 337.391 2.033 0 1 EEAF COc1ccc2c3c1O[C@@H]1C(OC(C)=O)=CC[C@H]4[C@H](C2)N(C)CC[C@@]314 5015075 RRJQTGHQFYTZOW-AFHBHXEDSA-N 341.407 2.421 0 1 EEAF O=C1N[C@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]12 210724931 RADKAGRBIKGFHM-MJGOQNOKSA-N 345.402 2.162 0 1 EEAF CCN(CC)c1cc(C)c2cc(NC(=O)CNC(C)=O)ccc2n1 213120 NEFKVRDLCZFKED-UHFFFAOYSA-N 328.416 2.464 0 3 EEAF CC1CCN(CCCNC(=O)[C@H]2CCC(=O)N2C2CCCC2)CC1 2964901 MICGKERRNJCTCG-QGZVFWFLSA-N 335.492 2.158 0 3 EEAF COC(=O)NCCOC(=O)N(O)c1ccc(Br)cc1 3157422 IJEUEWKGSHSCAM-UHFFFAOYSA-N 333.138 2.137 0 3 EEAF CC(C)NC[C@@H]1O[C@@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@@H]1O 2356300354 UNPJORNWBZBAON-AOIWGVFYSA-N 346.427 2.496 0 1 EEAF O=C1CCCN1C[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 115737193 UEZGSCSNHZZABE-LRDDRELGSA-N 326.799 2.379 0 1 EEAF O=S(=O)(c1ccc(Cl)cc1)n1cnc2c(S)ncnc21 29404678 RHNPJTYXJJMRBH-UHFFFAOYSA-N 326.790 2.005 0 1 EEAF C[C@H]1N[C@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O 34074274 JLJNCYCVSFKQGY-XTSKHYKTSA-N 338.363 2.024 0 1 EEAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(O)cc1 95572785 QSBXVFFIYCXAMA-RBUKOAKNSA-N 337.423 2.223 0 1 EEAF Nc1ncc(-c2cccc(C(=O)O)c2)nc1C(=O)NC1CCCC1 473106403 XAKHMBDHUCFTII-UHFFFAOYSA-N 326.356 2.096 0 1 EEAF C[C@]12CC[C@@H]3[C@H](CC[C@]45O[C@@H]4C(O)=C(C(N)=O)C[C@]35C)[C@@H]1CC[C@@H]2O 299804931 RSGSNGFUKZTCGU-LCCARORBSA-N 347.455 2.429 0 1 EEAF O=C(NC1CC1)[C@H]1CC[C@H]2[C@@H](CCN2CCOCc2ccccc2)O1 299841934 BUEFQGYOBUTNHB-IPMKNSEASA-N 344.455 2.104 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CCNC[C@H]1C(=O)OCC)CC2=O 587478436 ATQXPXSKPAWSFJ-IFXJQAMLSA-N 347.411 2.221 0 1 EEAF FC(F)c1c(-c2nc3cc4c(cc3[nH]2)OCO4)cnc2ncnn12 587127955 DUSBTZAKRBHQRU-UHFFFAOYSA-N 330.254 2.334 0 1 EEAF Cc1c(O)ccc2c1[C@](C)(c1cccc(O)c1F)N[C@H](C(=O)O)C2 963489930 JAKUKLJQQPFPSC-SGTLLEGYSA-N 331.343 2.408 0 1 EEAF CC(C)[C@H](N)[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962959050 DJSKVVQXIAHKQN-XEGUGMAKSA-N 332.778 2.416 0 1 EEAF CCOc1c(S(=O)(=O)N[C@H](CC)CO)ccc(Cl)c1Cl 1857648403 JQUIBBQXTZSNSD-MRVPVSSYSA-N 342.244 2.441 0 1 EEAF CCN1CCC[C@H]1CNC(=O)c1cc(CCF)cc(OC)c1OC 13821889 ARAWZUUSXRTRLM-AWEZNQCLSA-N 338.423 2.430 0 1 EEAF CC1(C)Oc2ncnc(N)c2N=C1c1ccc(N2CCOCC2)cc1 169307757 RHWSIGATHISOBR-UHFFFAOYSA-N 339.399 2.187 0 1 EEAF C[C@H](Nc1cc(N)ncn1)c1nn2cccc2c(=O)n1-c1ccccc1 205592131 KLKOWOPIVZBQDP-LBPRGKRZSA-N 347.382 2.031 0 1 EEAF CC1(C)[C@H](O)C[C@H](O)[C@@]2(C)[C@@H]3CC[C@](C)([C@@H](O)CO)C=C3CC[C@H]12 1857628374 MFFZAFOCKBAWCU-POXOWULCSA-N 338.488 2.250 0 1 EEAF O=C(O)C[C@@](O)(CSCCCCCCc1cccnc1)C(=O)O 27109184 NTWQPYNXMBYQNQ-MRXNPFEDSA-N 341.429 2.208 0 1 EEAF C[C@@H]1C[C@H]2C=CC[C@@H](CC(=O)Cc3cc(O)cc(O)c3C(=O)O1)O2 2356344075 YPFCFISQQPPOOK-KMUNFCNLSA-N 332.352 2.262 0 1 EEAF COCCn1c(SCC(=O)NC2CCCC2)nc2cccnc21 4853728 MXISLVNNWISENJ-UHFFFAOYSA-N 334.445 2.229 0 3 EEAF CNC(=O)C1(N2CCC[C@@H]2C(=O)N2CCC(C)CC2)CCCCC1 2356302075 LKXQNNUZUZLJPF-MRXNPFEDSA-N 335.492 2.158 0 1 EEAF O=C(CCCCC1CCCCC1)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O 100366227 SKTIFPADXLJREZ-BLLLJJGKSA-N 342.388 2.284 0 1 EEAF CC1=C[C@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@@](C)(O)C=C2[C@@H]1O)C3(C)C 2356420222 SMGFYRJTHUJGEK-YCERJQJFSA-N 334.456 2.377 0 1 EEAF C[C@@H]1C(=O)[C@@]23C[C@H](O)[C@H]4[C@](C)(CCC[C@@]4(C)CO)C2=CC[C@@]1(O)C3 2356337263 WVGFQNIYXUJDEE-JFIAXVBLSA-N 334.456 2.213 0 1 EEAF CC1(C)C=CC(C)(C)c2nc(-c3cccc(S(N)(=O)=O)c3)nnc21 27552838 YROQOYHCGGRIOG-UHFFFAOYSA-N 344.440 2.311 0 1 EEAF CN1CCN(C(=O)c2cc(-c3ccccc3)sc2NC(N)=O)CC1 40393598 YJSLIKPGKFXTDB-UHFFFAOYSA-N 344.440 2.293 0 1 EEAF CC(=O)NCCn1c(-c2ccoc2)nc2c(NCC3CC3)ncnc21 82181224 KGWAYZILNKXKBZ-UHFFFAOYSA-N 340.387 2.044 0 1 EEAF COC(=O)[C@@H]1C[C@@]23C=CCN4C[C@@H]([C@@H]2C)[C@]2(c5ccccc5N[C@H]12)[C@@H]43 195427331 AXEOWLVNPZQDNZ-PQSKXCAUSA-N 336.435 2.418 0 1 EEAF CCCCCC(=O)N1CC[C@H](CC(=O)N(C)CCO)[C@@H](CC)C1 25428040 JXYNTJAXIYYUKQ-JKSUJKDBSA-N 326.481 2.282 0 1 EEAF biogenic CC1=CCC[C@H]2[C@@](CO)(C1)C[C@@H](C)[C@]2(CO)CC/C(=C/CO)CO 95914510 FCKGLSONUYBLLE-OHWVBOLFSA-N 338.488 2.421 0 1 EEAF biogenic,in-vitro N=CCNC(=O)C1(NC(=O)c2ccc(Cl)cc2N)CCCCC1 263620873 PCXBCOKRJKMVFF-UHFFFAOYSA-N 336.823 2.121 0 1 EEAF in-vitro COc1ccc(NC(=O)[C@H]2OC(c3cccs3)=NN2C(C)=O)cc1 299852845 YFCYCPNVXVVYII-MRXNPFEDSA-N 345.380 2.262 0 1 EEAF Oc1nc(O)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2n1 587068165 JOTLOJKMZHQAOC-UHFFFAOYSA-N 328.719 2.475 0 1 EEAF O=C(O)c1c(-c2ccc3c(O)nc(O)nc3n2)cnc2ccccc12 587554992 LLXYXPLEAAHGAX-UHFFFAOYSA-N 334.291 2.349 0 1 EEAF O=C(O)c1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1F 587128351 LOCIPMJPOLYWMR-UHFFFAOYSA-N 348.244 2.443 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(CCOC[C@H]1C(=O)OC)CC2=O 587482232 DFAOBEXIWIUFHM-UGSOOPFHSA-N 334.368 2.258 0 1 EEAF CN(C)CCOc1ccc2nc(-c3nc(Cl)cnc3N)[nH]c2c1 587087451 QWMNSHFKXKLEEH-UHFFFAOYSA-N 332.795 2.196 0 1 EEAF CCc1ccc([C@@]2(C(O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587452462 UZQDAZBIRGQIOZ-FOIQADDNSA-N 340.375 2.211 0 1 EEAF CCOC(=O)C[C@]1([C@@H]2CCOC2)CC(=O)c2cc(C)cc(N)c2O1 587411491 JWRIGCHHGTZCCX-XIKOKIGWSA-N 333.384 2.271 0 1 EEAF COC(=O)[C@@H]1[C@H](C)CC[C@@]12NC[C@H]1CC(=O)N(C)c3cccc2c31 963026982 PVEMMHAAWDPGGL-JWUMNEAUSA-N 328.412 2.154 0 1 EEAF CC(C)n1nc(NC(=O)c2cc(C3CC3)on2)c2c(N)ncnc21 1772588885 PDCVEFYCFFYQIO-UHFFFAOYSA-N 327.348 2.107 0 1 EEAF O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)Oc1ccccc1 13153499 LSSXITVLSRQODU-IGCPOSHWSA-N 337.375 2.035 0 1 EEAF COc1ccc(C[C@H]2COc3cc(O)c(OC)c(O)c3C2=O)cc1O 13481959 DSTDMPAJBBOFCE-JTQLQIEISA-N 346.335 2.255 0 1 EEAF biogenic,in-vitro Cc1noc2ncnc(N3CCC[C@@H](C(=O)N4CCCCC4)C3)c12 15728886 RIJJPAHBUROVIP-CYBMUJFWSA-N 329.404 2.155 0 1 EEAF CCOC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc(C(=O)OC)cc1 1857616804 NGPIMJDUGARFQI-GOSISDBHSA-N 333.384 2.421 0 1 EEAF Cc1cccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C[C@@H]2C)c1 218304 XIZZOKRHJDSUBY-WMZOPIPTSA-N 343.471 2.432 0 1 EEAF CCn1cc(C(=O)N2CCCC2)c2cc(OC)c(OC)cc2c1=O 3896431 YFGKQTAACVVRPS-UHFFFAOYSA-N 330.384 2.275 0 1 EEAF CC(C)CCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 6839698 FKXHQGGEUJSLJA-UHFFFAOYSA-N 347.440 2.150 0 1 EEAF CCNC(=O)Nc1nc2cc(-c3ccc(F)nc3)c(=O)n(C)c2s1 103264855 PIPBCUQMUDNZJX-UHFFFAOYSA-N 347.375 2.338 0 1 EEAF CNC[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C(C)C)c3c2)C1 103280586 MQMDWUOXOHTLLL-ZDUSSCGKSA-N 343.427 2.326 0 1 EEAF COc1ccc(CCN2CCc3c(C)nc4ncnn4c32)cc1OC 28016254 DWPPIHHZEBKHOP-UHFFFAOYSA-N 339.399 2.055 0 1 EEAF CCN(CC)CCn1c(NC(=O)C2=NC(=O)N=N2)nc2ccccc21 63944386 PMSFFIXXRFAVIJ-UHFFFAOYSA-N 341.375 2.301 0 1 EEAF O=C(c1cc2ccccc2[nH]1)N1CC(=O)N(C2CCCCC2)C(=O)C1 98083603 DYMXCIZFRXHSLE-UHFFFAOYSA-N 339.395 2.312 0 1 EEAF CON(C)C(=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755819 PHIARYMPPDCXDU-RTHLEPHNSA-N 345.212 2.357 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)n(C)c(=O)n3C)O2 587398922 JMBDAYBQVOFZJF-QGZVFWFLSA-N 337.379 2.474 0 1 EEAF Cc1ccc([C@H](C)[C@H](O)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 586886614 FPQYOGRCXOLYHQ-ZBEGNZNMSA-N 345.424 2.356 0 1 EEAF Ic1cccc2nc(C[C@@H]3COCCO3)[nH]c12 586908496 BUHXPNIFURVYHS-MRVPVSSYSA-N 344.152 2.125 0 1 EEAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586881509 GRMSPCLBKZBCAI-UHFFFAOYSA-N 343.774 2.299 0 1 EEAF COc1cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2cc1F 587260628 WWZNYBWEQCQUGK-LBPRGKRZSA-N 328.347 2.052 0 1 EEAF O=C(CNS(=O)(=O)Cc1ccccc1)Nc1c(F)cccc1F 205569601 OQKFMNOGQRLOJK-UHFFFAOYSA-N 340.351 2.023 0 1 EEAF COc1ccc2c(c1)c(CCN)cn2S(=O)(=O)c1ccccc1 13864746 KJOAWSBQNSIGLK-UHFFFAOYSA-N 330.409 2.388 0 1 EEAF N[C@H]1CN(CCc2ccncc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F 14958795 SZNYUJLXEGPMTB-DYVFJYSZSA-N 349.356 2.385 0 1 EEAF Cc1ccc(N(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 15941760 AAFCIQNXBXIJOS-UHFFFAOYSA-N 346.408 2.459 0 3 EEAF N=c1nc(-c2cc(Cl)ccc2CO)[nH]c(=NCc2ccccc2)[nH]1 1857598760 DWTJJVIMELXMHG-UHFFFAOYSA-N 341.802 2.131 0 1 EEAF CC[C@@H]1CCCCN1CCCNC(=O)CNC(=O)c1cccs1 2922982 IXBHDRHECUNDIJ-CQSZACIVSA-N 337.489 2.249 0 1 EEAF Cn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2sccc21 4971143 NQHZRIXCBQYIBH-UHFFFAOYSA-N 343.408 2.431 0 1 EEAF COc1ccc(CN(CCCN)Cc2ccc(OC)c(O)c2)cc1O 27714393 SPBRIDVQONEJHY-UHFFFAOYSA-N 346.427 2.466 0 1 EEAF CCc1cc(O)n2nc(NCc3ccc(OC)c(OC)c3)nc2n1 21178485 LEXNJDBVCNOKRP-UHFFFAOYSA-N 329.360 2.022 0 1 EEAF COc1ccc(C2=NN(CCO)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26570869 BYYHDFCCMVGVAV-KGLIPLIRSA-N 332.400 2.049 0 1 EEAF COc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](OC)C2=O 2356759033 BNRZDUDNTAQLFH-ZWKOTPCHSA-N 346.335 2.446 0 1 EEAF CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1coc2ccccc2c1=O 71341886 XUXHARRHCVQEOD-CQSZACIVSA-N 344.392 2.149 0 1 EEAF COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCNCC3)c2c1 73165045 BWUITESCUMSIEP-UHFFFAOYSA-N 325.416 2.142 0 1 EEAF Cn1cnnc1Sc1ccc(N)c(C(=O)Nc2cccnc2)c1 40423586 OOKTUKMFWVBRRT-UHFFFAOYSA-N 326.385 2.196 0 1 EEAF O=C(CS(=O)(=O)O)NCCCc1cccc(Oc2ccccc2)c1 40425391 HJBQXVFJHLDMPK-UHFFFAOYSA-N 349.408 2.416 0 1 EEAF CC(C)N1CCN(C(=O)OC2CCN(c3ccncc3)CC2)CC1 223527600 ZDENUZWSJXPOHI-UHFFFAOYSA-N 332.448 2.213 0 1 EEAF O=C(NCCO)c1c(N2CCCCC2)cc(-c2ccccc2)oc1=O 84740160 FSJALIXOTYOCMV-UHFFFAOYSA-N 342.395 2.019 0 1 EEAF NC(=O)c1cncc(NC(=O)c2ccc(CN3CCCCC3)s2)c1 621476158 WPIUTIQAXUBTBS-UHFFFAOYSA-N 344.440 2.480 0 1 EEAF CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)CN1 587798087 UHKFIXLSIYXXJZ-VXJOIVPMSA-N 339.208 2.394 0 1 EEAF COC(=O)c1[nH]cc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1C 962935126 YKBFECFOULNVDG-KRWDZBQOSA-N 341.411 2.047 0 1 EEAF Cc1cccc2ncc([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)n12 962915239 BCRXSRAQVPMEHO-GUYCJALGSA-N 325.343 2.470 0 1 EEAF CC(C)[C@@](C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O 150051482 RJKNERRIOBQEOD-LJQANCHMSA-N 345.443 2.378 0 1 EEAF Nc1cccc(-c2cc(Nc3ccc(P(=O)(O)O)cc3)ncn2)c1 169346839 RDMRWYXFPSVLLR-UHFFFAOYSA-N 342.295 2.272 0 1 EEAF O=C(NCCN1CCC(Cc2ccccc2)CC1)[C@@H]1CCCNC1 206495514 FJDSHJPNEQGFBA-LJQANCHMSA-N 329.488 2.057 0 3 EEAF C[C@H](O)CNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167467350 YAEVCWWABZFWBX-ZDUSSCGKSA-N 339.395 2.345 0 1 EEAF Cc1cc(C)cc(N=c2cc(NC3CC3)c3ncc(C(N)=O)n3[nH]2)c1 1857774432 IGYJLYHJRAPGFK-UHFFFAOYSA-N 336.399 2.185 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45C(=O)[C@H]3[C@H]1C[C@H]2[C@H]4N(C)c1c(OC)cccc15 2356378099 WCCNKCFWOIBUOQ-RNZNMVDASA-N 336.435 2.373 0 1 EEAF NC(=O)c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)cs1 6859468 QESYPWYGHVFYCH-UHFFFAOYSA-N 344.845 2.021 0 3 EEAF C[C@H](NC(=O)c1cccn1C)c1onc(-c2cccnc2)c1C(=O)O 2356302147 MRJXCLDSVXDRSQ-JTQLQIEISA-N 340.339 2.264 0 1 EEAF CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1 63298271 TWCARTFPHQNBPF-UHFFFAOYSA-N 343.408 2.225 0 1 EEAF CC(C)[C@@H]1[C@H](O)[C@H](O)C2=C3OC(=O)C4=C3[C@](C)(CC[C@@H]4O)CC[C@]21C 2356550716 SCJWRCCFAICMEA-LDCHWXBPSA-N 348.439 2.063 0 1 EEAF CC(C)[C@@H](N)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 61928794 FZNLNUSJFDYUAO-CQSZACIVSA-N 349.460 2.050 0 3 EEAF CN(C)CCC1=CN2[C@@H]3C1=CC=C[C@@H]3c1ccccc1S2(=O)=O 36093375 GKINOYVCIYGDGT-SJLPKXTDSA-N 328.437 2.489 0 1 EEAF C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@H](O)[C@@H]1[C@@H]2OC(=O)C(C)C 14407326 VSLKGPYHLGIYBG-FOVQHYBDSA-N 336.428 2.471 0 1 EEAF biogenic COCc1cc(N2CCNC[C@@H]2C)ccc1N1C[C@H](C)O[C@H](C)C1 199269315 CWHMIMGYUKJXDZ-HRCADAONSA-N 333.476 2.245 0 3 EEAF CCOC(=O)Cc1nc2nc(O)nc(O)c2cc1Cc1ccccc1 587559751 NFQIDONPADCXPJ-UHFFFAOYSA-N 339.351 2.132 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(c1c(C(C)=O)cnn1C)[C@@H](C2)C3=O 587431239 JCZYICKFTXBGET-UGSOOPFHSA-N 326.352 2.294 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)cc1 586950853 OEEKCRLCFSBPPG-UHFFFAOYSA-N 349.343 2.439 0 1 EEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(Cl)ccnc2[nH]1 586950706 AZRHTLNJUJNVCR-UHFFFAOYSA-N 343.821 2.415 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncnn2C)N1 587759365 KMEZPJSNIWMHQZ-MADCSZMMSA-N 325.185 2.340 0 1 EEAF O=C(CCCn1cncn1)N[C@H]1CCCN(C2CCCCCC2)C1 14977650 QGYSKEWISHLDFH-INIZCTEOSA-N 333.480 2.362 0 1 EEAF COc1cccc(CCN2CC[C@H]3CNCC[C@H]3CC2=O)c1OC 15672760 NXHNUUINGWBOEO-HOTGVXAUSA-N 332.444 2.094 0 1 EEAF biogenic COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1cccs1 8829531 AFGQSDLHBNSGKG-ZDUSSCGKSA-N 338.385 2.126 0 3 EEAF O=C1NC(=S)N/C1=C/c1cc(-c2ccc3c(c2)COC3=O)cs1 101463980 CMOYHYQEGSOTRT-WLRTZDKTSA-N 342.401 2.431 0 1 EEAF CC(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 2356460865 MWSWDOSYPITZNH-TVFCKZIOSA-N 349.519 2.310 0 1 EEAF CCC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)C=Cc3ccccc3)[C@@H](C1)N2 2356539304 JUPCRQLGNACVMQ-YLFCFFPRSA-N 329.396 2.458 0 1 EEAF COc1cccc(Nc2nc(-c3cnc(N)nc3)nc3c2cnn3C)c1 64548827 OQEOSHKHPNSGJI-UHFFFAOYSA-N 348.370 2.155 0 1 EEAF COc1nc2c3c(ccc2c(OC)c1C[C@H](O)C(C)(C)OC)OCO3 14618556 ZLSJYWRYNGBLIH-ZDUSSCGKSA-N 349.383 2.309 0 1 EEAF biogenic Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1NCc1cccs1 82203521 RXGRJDGTWPCXDL-GFCCVEGCSA-N 331.445 2.160 0 1 EEAF COc1ccc(CN2[C@H]3C=C(C)[C@H]([C@H]4C(=O)N(C)C(=O)[C@H]34)[C@H]2C)cc1 95784908 YMMQFFFORAWLFT-COWMOVNHSA-N 340.423 2.075 0 1 EEAF CC1(C)CC(=O)Nc2cc(C(=O)NCCCCCCC(N)=O)ccc21 299836717 HRNPEXNLGVZLSD-UHFFFAOYSA-N 345.443 2.472 0 1 EEAF Nc1ncccc1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587253408 GZGXNLZSMMGMJE-UHFFFAOYSA-N 347.382 2.190 0 1 EEAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc[nH]n1 587863462 KZSXJGINFQXPRE-UHFFFAOYSA-N 337.261 2.384 0 1 EEAF COc1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc(Cl)c1O 587045712 DNMHMGMRIICRHX-UHFFFAOYSA-N 326.143 2.405 0 1 EEAF C[C@H]1C[C@H](C)CN(CCCNC(=O)Cn2cc3c(n2)CC[C@@H](C)C3)C1 5148596 NHCFTVMVXOEOLS-IKGGRYGDSA-N 346.519 2.492 0 1 EEAF CC(C)CC(=O)O[C@@H](c1ccccc1)c1cc(O)c(C(=O)O)c(=O)[nH]1 13369442 RQSUJBPFSUWQSA-INIZCTEOSA-N 345.351 2.457 0 1 EEAF biogenic,in-vitro Cc1oc2ncnc(Nc3cccc(F)c3)c2c1C(=O)NCCO 1857765359 UMTOVICRCNTZTC-UHFFFAOYSA-N 330.319 2.136 0 1 EEAF OCc1cc(N2CCCC2)ccc1-c1nc2c(s1)[C@@H](O)CNC2 53296407 ZRKUIHUDCUBDPN-HNNXBMFYSA-N 331.441 2.039 0 1 EEAF O=c1[nH]c2cc(Cl)ccc2c(=O)n1CCCCCn1ccnc1 26377056 BVUDTQWSRRBMNH-UHFFFAOYSA-N 332.791 2.410 0 1 EEAF OC[C@H]1CC[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)O1 29336830 FTFUACKLTUPQQG-KGLIPLIRSA-N 325.372 2.108 0 1 EEAF Cc1ccc(-c2cn3c(n2)CO[C@H](CNCc2cnn(C)c2)C3)cc1 2356649397 LEXXNOMZUPAWKR-QGZVFWFLSA-N 337.427 2.281 0 1 EEAF CO[C@@H]1O[C@H](O)[C@@H]2[C@H](C)N3[C@H]4C[C@H]2[C@H]1[C@@H]3Cc1c4[nH]c2ccccc12 2356709369 ALUUTSZMHKEPEI-DQHYCIHBSA-N 340.423 2.411 0 1 EEAF CC=CC=CC(=O)O[C@@H]1CCCC[C@H](O)[C@@H](O)[C@H](CCC)OC1=O 2356766027 FMVRTWDUGYFHPQ-LJIGWXMPSA-N 340.416 2.038 0 1 EEAF CCCNC(=O)[C@@]1(C)CCN(C(=O)c2cc(C)nn2C(C)(C)C)C1 61898022 XIKXRIVGXGGNQW-SFHVURJKSA-N 334.464 2.325 0 3 EEAF CC(=O)O[C@@H](C)[C@@H](/C=C1/C=C(C)C2=NCC[C@@H]3O[C@@]213)OC(=O)C(C)C 33956186 MRUZXUQKRAPYFF-BMCBALMCSA-N 347.411 2.374 0 1 EEAF in-vitro CCn1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ncsc21 35010317 ITUWCZMJNMOGDN-UHFFFAOYSA-N 347.371 2.253 0 1 EEAF COc1cc([C@H](OC)[C@@H](C)OC(C)=O)cc(OC)c1OC(C)=O 14638089 VRSKRDHLNTZRBI-RFAUZJTJSA-N 326.345 2.268 0 1 EEAF biogenic C=CC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(NC)nc32)c1 84653617 LYESCJLRRXBLPH-UHFFFAOYSA-N 338.371 2.346 0 1 EEAF CC[C@H]1Cn2c(c(NCc3ccsc3)c(=O)n(C(C)C)c2=O)N1 82207530 ICIDZUBCZVLKJO-LBPRGKRZSA-N 334.445 2.469 0 1 EEAF CC(C)CN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 82141926 VAGFDWVUFJGCJL-UHFFFAOYSA-N 344.415 2.301 0 1 EEAF CC[C@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)N1CCOCC1 20462907 KIHCPRAWBCEYHC-GJZGRUSLSA-N 334.416 2.017 0 1 EEAF biogenic NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 84759371 TUFKJBLZVGPEAA-UHFFFAOYSA-N 325.321 2.052 0 1 EEAF COc1ccc2c3c1O[C@H]1C=C([C@@H](C)O)C[C@H]4[C@H](C2)N(C)CC[C@]314 195109740 QWIOCLNAHOMHPC-MQYVOHRISA-N 327.424 2.281 0 1 EEAF Cc1cncn1CCCNC(=S)Nc1cccc2c1OCCO2 96923703 AONOCMOKOPFZGZ-UHFFFAOYSA-N 332.429 2.339 0 1 EEAF CNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 621476401 NVZOZLHZGRHWBC-MRVPVSSYSA-N 331.199 2.297 0 1 EEAF CCCCNS(=O)(=O)c1ccc2nc(C[C@H](C)N(C)C)[nH]c2c1 587191456 LXZRPLNVVXQXGM-LBPRGKRZSA-N 338.477 2.134 0 1 EEAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(O)nncc2[nH]1 587148268 HKAPQZFTKBXBCB-UHFFFAOYSA-N 328.282 2.404 0 1 EEAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(N)nccc2[nH]1 587038831 MQHCPFKHABAHFK-UHFFFAOYSA-N 333.377 2.406 0 1 EEAF COC(=O)c1ccc(-n2c(O)cc(C)c2OC)c(O[C@H]2CCOC2)c1 587926472 YYLYRMZGLJUYJH-ZDUSSCGKSA-N 347.367 2.454 0 1 EEAF O=C1[C@H]2C[C@@H](CN2Cc2ncc[nH]2)Oc2ccccc2N1CC1CC1 2356386753 VPXLRDWTQAPCIV-GOEBONIOSA-N 338.411 2.188 0 1 EEAF CC(C)NC(=O)C1=CC2=N[C@@H](c3ccco3)C[C@H](C(F)(F)F)N2N1 104009528 GVZPRLXQUYSPGF-BXKDBHETSA-N 342.321 2.283 0 3 EEAF COC(=O)c1cc(-n2cc(-c3ccccc3OC)nn2)ccc1O 53230872 JACHKEXSBSILGK-UHFFFAOYSA-N 325.324 2.435 0 1 EEAF COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C 66263472 ZGHROOZBBXNOHR-HOTGVXAUSA-N 330.428 2.189 0 1 EEAF Cn1ccnc1CN1C[C@@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356474365 OTWCIWAXZDYGBI-IUODEOHRSA-N 347.369 2.175 0 1 EEAF COc1cc(O)c2c(c1)O[C@@H](c1ccc(OC)c(C)c1)[C@H](O)C2=O 2356601084 IKRSYTWAXFVNFF-MSOLQXFVSA-N 330.336 2.395 0 1 EEAF COc1cc(Cl)nc(NC(=O)NC(=O)c2c(F)cccc2F)n1 28565480 UZPXTMBCJYQPES-UHFFFAOYSA-N 342.689 2.379 0 1 EEAF COC(=O)c1c(Cc2ccccc2)[n+]([O-])c2cc(C)c(C)cc2[n+]1[O-] 28109441 BQGTYHUWGRTFCN-UHFFFAOYSA-N 338.363 2.101 0 1 EEAF O=C(NC1CC1)c1[nH]cc(Cc2ccc(C(F)(F)F)nc2)c1CO 1911570550 MJBBSRKDIOXNGE-UHFFFAOYSA-N 339.317 2.404 0 1 EEAF CC(C)(C)c1ccc(-n2cnc(C[C@H](OCCN)C(=O)O)c2)cc1 45337357 JVLMBIHTJZKJHM-INIZCTEOSA-N 331.416 2.141 0 1 EEAF Cc1ccc(CN2CC[C@H]3O[C@H](C(=O)N4CCCO4)CC[C@H]32)s1 299843924 ZUXACVYQLLDWBL-OAGGEKHMSA-N 336.457 2.342 0 1 EEAF Cc1ccc(CC(=O)N(C)C[C@@]2(O)CCN(c3ccccn3)C2)s1 299852092 NGSGOAPQYVFITQ-SFHVURJKSA-N 345.468 2.094 0 1 EEAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@H]1CCOC1 587275886 GSRCKUHVEYGZRM-ZETCQYMHSA-N 326.146 2.302 0 1 EEAF N=c1cc[nH]cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587249265 KICAGYNZYBJEKR-UHFFFAOYSA-N 333.355 2.097 0 1 EEAF Oc1nncc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587003372 KJWGRALYZZDNAJ-UHFFFAOYSA-N 331.133 2.364 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1cnn(C(C)(C)C)c1)O2 587391049 KDYKLUXNBPPMOI-SFHVURJKSA-N 343.383 2.474 0 1 EEAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(C(=O)O)c1O 587944292 DLXIFUCCFYQJBN-SNVBAGLBSA-N 328.227 2.220 0 1 EEAF COC(=O)Cc1ccccc1-c1nc2cc(C(=O)OC)ncc2[nH]1 587783321 NXNIKEFWUWZFGO-UHFFFAOYSA-N 325.324 2.127 0 1 EEAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc2ccccc2o1 1857643475 NRVWNJNUPZZXPW-AWEZNQCLSA-N 341.367 2.380 0 1 EEAF O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1CCC2=Nc3ccccc3CN21 1857767600 FZAJRAYKHNVAGQ-HKUYNNGSSA-N 349.434 2.414 0 1 EEAF COc1cc(-c2cnc3ccc(N4CCOCC4)cn23)cnc1OC 113752316 RDVUKNKMBMJRNG-UHFFFAOYSA-N 340.383 2.250 0 1 EEAF CC[C@H](O)[C@H](C)CC[C@H](C)C=C1CN2CCC[C@@H]2[C@@](C)(O)[C@@H]1O 2356478586 JPTCXUSLJGJEHG-YMGXSFKPSA-N 325.493 2.326 0 1 EEAF Cc1ccccc1CN1Cc2cccc3c2[C@@H](CC1=O)[C@H](O)[C@H](O)C3 36383101 VHAMVINLSMLPIE-OPYAIIAOSA-N 337.419 2.289 0 3 EEAF C=C1C(=O)O[C@@H]2[C@@H]3C(C)=C(O)C(=O)C3=C(C)C[C@@H](OC(=O)C(C)C)[C@@H]12 13338513 NLXVFIOZASEMRL-GDLHICMESA-N 346.379 2.403 0 1 EEAF biogenic COc1c(O)cc2c(c1OC)CCCN1CCC3=CC[C@@H](O)C[C@@]321 13406472 OQMVSCHTEYJJII-BFUOFWGJSA-N 331.412 2.338 0 1 EEAF biogenic CC[C@@]12CCCN3CCC(=O)c4ccccc4N(C(=O)[C@@H]31)[C@H](O)C2 138210943 QUTCWFPVUVMVTM-LMMKCTJWSA-N 328.412 2.189 0 1 EEAF Cc1cc(-c2ccc(C(=O)O)c(O)c2)oc1/C=C1\NC(=S)NC1=O 45497117 WDQDJDQNWMXCDW-POHAHGRESA-N 344.348 2.004 0 1 EEAF Cc1nc2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O 82231496 GISULMWYHHBJNQ-UHFFFAOYSA-N 339.374 2.092 0 1 EEAF COC(=O)c1cccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c12 587249839 OAUFBELEEQHFME-UHFFFAOYSA-N 325.324 2.221 0 1 EEAF CO[C@@H](C)COC1CCC(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CC1 587952755 WSBBIVGIOWFRMU-IDKOKCKLSA-N 339.827 2.448 0 1 EEAF C[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)n1cc(Cl)cn1 587082317 OFHVEIXQNKUJLU-ZETCQYMHSA-N 326.765 2.269 0 1 EEAF COc1ccc(Cc2nnc(-n3c(O)c4c(c3O)CC=CC4)[nH]2)cc1 169688159 PILOMRQJHOAXRK-UHFFFAOYSA-N 338.367 2.261 0 1 EEAF O=C1NC(Cc2ccccc2)=N[C@@H]2[C@@H]1N=CN2CCc1ccccc1 1857566899 RCJMDIUPBUMMMA-OALUTQOASA-N 332.407 2.039 0 1 EEAF COc1ccc(C2=NN(CC(=O)O)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26508065 UVCNSYMHHFIGSV-CHWSQXEVSA-N 346.383 2.141 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3C4=C(CCCC4(C)C)[C@@H](O)[C@@H]23)OC1=O 2356535527 CDBBMEYPRMUMTR-XOUADPBQSA-N 346.379 2.139 0 1 EEAF C[C@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1 40374147 GOHDSZGHAHFEHG-GLYSNPQVSA-N 342.439 2.440 0 1 EEAF CNc1ccc2c3c(n(CCCN)c(=O)c2c1)-c1ccccc1[C@@H]3O 95553353 CBKVCJWVYQTYLU-IBGZPJMESA-N 335.407 2.454 0 1 EEAF CC(=O)O[C@@H]1CCC[C@@]2(C(=O)Nc3ccccc32)[C@H]1NC(=O)C(C)C 96018491 YYFYFSPRWBHMLA-GJYPPUQNSA-N 344.411 2.133 0 3 EEAF Cc1cc(CN2CCSCC2)ccc1NC(=O)C1=NC(=O)N=N1 618014056 AQSZQIYMZKNOHJ-UHFFFAOYSA-N 331.401 2.467 0 1 EEAF Cc1cccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)c1 263590391 XODLTFCYMNEQEQ-IRXDYDNUSA-N 342.420 2.419 0 3 EEAF CCc1cc2c(O)nc(O)nc2nc1-c1ccc2c(c1)OCCO2 587562588 GUNFUWCVPMGOJM-UHFFFAOYSA-N 325.324 2.437 0 1 EEAF CS(=O)(=O)c1cccc(-c2nc3c(S)nc(S)nc3[nH]2)c1 586926765 QDGASUKLRSRTBF-UHFFFAOYSA-N 338.439 2.001 0 1 EEAF O=C(COC(=O)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(Cl)cc1 13517021 XMUPOSDDOMAHDX-QZVLQWBNSA-N 349.770 2.019 0 1 EEAF OCC[C@@H](N=c1nc(-c2ccncc2)[nH]c2cnccc12)C(F)(F)F 1857603895 IAZHZBCGXPBBTK-CYBMUJFWSA-N 349.316 2.234 0 1 EEAF Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N32)o1 147769527 UJOZBHFPNGYOTF-BEFAXECRSA-N 349.390 2.384 0 1 EEAF CCN1[C@@H](C(=O)c2ccccc2)C(=O)c2ccccc2S1(=O)=O 2494950 DXTJDVSKQVGFMQ-HNNXBMFYSA-N 329.377 2.145 0 1 EEAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@@H]1CCCC[C@@H]1O 4153398 WBDPZUAJKIMBQJ-VCBZYWHSSA-N 346.427 2.246 0 1 EEAF Cc1ccc2nc(CO[C@@H]3CN(Cc4nccn4C)C[C@@H]3F)[nH]c2c1 2356495013 AYQDABMMKJWDQL-XJKSGUPXSA-N 343.406 2.344 0 1 EEAF COc1cc([C@@H]2[C@@H](O)CC=C3CCN(C)[C@@H]32)c(C=O)c(OC)c1OC 2356716367 KQGUTTVDQZKMQP-UAGQMJEPSA-N 347.411 2.004 0 1 EEAF CNCc1cc(-c2ncccc2C)n(S(=O)(=O)c2cccnc2)c1 115730436 PPWIGIQCDPAJCE-UHFFFAOYSA-N 342.424 2.210 0 1 EEAF O=C1N[C@H]2ON=C(c3ccccc3)[C@H]2[C@@H]2ON=C(c3ccccc3)N12 31898343 IHTIDIABGVBCOA-COXVUDFISA-N 334.335 2.107 0 1 EEAF CC(C)(O)[C@@H]1Cc2ccc(OC(=O)c3cc(O)cc(O)c3)cc2O1 72175815 GHTFYAHUUUVRHG-INIZCTEOSA-N 330.336 2.391 0 1 EEAF COc1cc2c(c(OC)c1OC)[C@@H](O)O[C@@H]1CC=C3CCN(C)[C@H]3[C@H]21 138533849 MNAREALDHXFRFJ-QNDNMDDASA-N 347.411 2.220 0 1 EEAF CCOC(=O)c1cc2c(c3c1[nH]c1ccccc13)C(=O)N(CO)C2=O 40395603 WNGIYAAKRIWPKZ-UHFFFAOYSA-N 338.319 2.044 0 1 EEAF C/C=C/[C@@H]1Oc2ccc(OC)cc2N2C(=O)[C@H](C)[C@H](OCOC)[C@H]12 253966558 BSKPAPARTCMSGM-JLIIWXTDSA-N 333.384 2.373 0 1 EEAF CC[C@H](C)[C@H](NC[C@@H](O)COc1ccccc1)C(=O)N1CCCC1 473240723 RBOIAMGOOLGCGW-JZXOWHBKSA-N 334.460 2.053 0 1 EEAF CC(=O)OCc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587923729 ILCVNESZODJSSD-UHFFFAOYSA-N 326.399 2.245 0 1 EEAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(C(=O)OC)nc2[nH]1 586922479 OUGPLOUGCFSHED-UHFFFAOYSA-N 345.380 2.205 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4nn[nH]n4)cc1)[C@@H](C2)C3=O 587438187 CZKCADRWYBEZIB-GUYCJALGSA-N 334.335 2.364 0 1 EEAF Nc1c(F)c(F)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1F 587136081 BQRGTWGMJQZLPS-UHFFFAOYSA-N 331.261 2.205 0 1 EEAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(OC)cc41)[C@@H](C2)C3=O 587440782 QLXCFCQUIQYFKV-DJJJIMSYSA-N 337.331 2.299 0 1 EEAF Cn1c(=O)n(C2CC2)c2c3cc(-c4cnc(N)nc4)ccc3ncc21 1772579770 HZYTVQKACFDSMV-UHFFFAOYSA-N 332.367 2.262 0 1 EEAF COc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 3904556 HOEKWCYJOODSAF-LZDSYCOUSA-N 342.395 2.055 0 1 EEAF Cc1csc2nc(O)c(C(=O)NCCC3=CCCCC3)c(=O)n12 10166699 MLFAKULROPPGOA-UHFFFAOYSA-N 333.413 2.390 0 1 EEAF CC[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CCN1 103284748 NXUUXNTZQRHRFI-LBPRGKRZSA-N 341.411 2.223 0 1 EEAF CCOC(=O)CCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3 118733664 LJYZXJGMLFHEIR-UHFFFAOYSA-N 343.427 2.271 0 1 EEAF CN[C@H](C)Cc1cc(OC)c(I)cc1OC 26016015 UFHCKYRPMINDBF-MRVPVSSYSA-N 335.185 2.459 0 1 EEAF Oc1ccc2nc(NC3=NC[C@]4(CN5CCC4CC5)O3)sc2c1 114085923 UDLFPPHYXDHXCU-MRXNPFEDSA-N 330.413 2.264 0 1 EEAF O=C(/C=C/c1ccco1)Nc1ccc(N2CCOCC2)c(C(=O)O)c1 29128436 YVPQHBZUXODEKS-GQCTYLIASA-N 342.351 2.466 0 1 EEAF COc1ccc(-c2nc3c([nH]2)CCN[C@@H]3C(=O)O)c2ccc(C)nc12 77503807 ILHCVRFJTSHMJP-INIZCTEOSA-N 338.367 2.213 0 1 EEAF C[C@]12CC[C@H](O)[C@@H]3COC(=C31)C(=O)c1cc3c(cc12)[C@H](O)CC[C@@H]3O 14885653 VWJHLPXIBLZUOE-NIQZGXKPSA-N 342.391 2.056 0 1 EEAF biogenic c1n[nH]cc1-c1nc(N2CCNCC2)c2c3c(sc2n1)CCCC3 223691883 FTKXJQLWMUNMSB-UHFFFAOYSA-N 340.456 2.370 0 1 EEAF COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(F)ccc(F)c32)cc1 221943721 HPCQZLLLLQSIMY-QGZVFWFLSA-N 333.290 2.386 0 1 EEAF CCCc1cc(N2CCCC[C@H](N)C2)nc2sc(C(N)=O)c(N)c12 45245406 FMYBCSRZCAQSDT-NSHDSACASA-N 347.488 2.248 0 1 EEAF CC(C)(C)OC[C@H]1CN(CC2CC2)S(=O)(=O)c2cnccc2O1 299852294 PYSPDJUNAJPBFW-CYBMUJFWSA-N 340.445 2.058 0 1 EEAF CNS(=O)(=O)c1ccc(CCc2nc3cccc(OC)c3[nH]2)cc1 586947288 VUIREEYRBDHZRW-UHFFFAOYSA-N 345.424 2.265 0 1 EEAF Cn1cc([C@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517953 XYVOIBSCZXXGNP-SFHVURJKSA-N 326.352 2.244 0 1 EEAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CN3CCC[C@H]2C3)N1 962955877 AECHNRALZSQWBF-YYDSMBMDSA-N 342.773 2.138 0 1 EEAF COc1cc2ncc(NC3CCC(C(N)=O)CC3)nc2cc1OC 13538846 HBZSOHZCCIMNIO-UHFFFAOYSA-N 330.388 2.103 0 1 EEAF C[C@]12C(=O)O[C@H]3Cc4c(ccc5ccoc45)[C@@]4(CC[C@@]1(O)OC4)[C@H]32 2356336157 HDJDBLLWQBRQMW-GJYSGUEQSA-N 326.348 2.287 0 1 EEAF CCc1ccc2c(c1)=C(c1cccs1)NN=C(c1cccnc1)N=2 103840197 XWTOXUIKSNRJRO-UHFFFAOYSA-N 332.432 2.447 0 3 EEAF O=C(c1ccc(F)cc1)[C@@](O)(Cn1cnnc1)c1ccc(F)cc1 26013702 PCNYTQPWOFAGPZ-QGZVFWFLSA-N 329.306 2.327 0 1 EEAF CC=C1CO[C@H](O)[C@@H]2C(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C[C@H]12 2356413752 JQVUCRZIEKITEM-CVFBZQACSA-N 338.407 2.352 0 1 EEAF C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@](O)(CCC3)[C@]12C[C@@H](c1ccoc1)OC2=O 2356459631 UBZGBVBKCSWHNF-NODSHJPDSA-N 344.363 2.431 0 1 EEAF COc1cc(O)cc([C@H]2Oc3c(OC)cc(C=O)cc3[C@H]2CO)c1 2356549119 RPBBEKGVUSUHOB-NVXWUHKLSA-N 330.336 2.432 0 1 EEAF COCCN[C]1C=C(c2noc([C@H]3CCCN3CC(C)C)n2)C=CN1 2356851621 LWEGGLRHKMCPDE-OAHLLOKOSA-N 346.455 2.088 0 1 EEAF N[C]1C=CC(I)=CN1CC(=O)c1ccccc1 2356862590 ZRRBWMFYKMUGDC-UHFFFAOYSA-N 339.156 2.466 0 1 EEAF N=C(N)NCCC[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 66080557 WBZWBPDESNWHJJ-INIZCTEOSA-N 335.411 2.108 0 1 EEAF CC(=O)OC[C@H]1Cc2c[nH]c3cccc(c23)N(C)[C@H](C(C)C)C(=O)N1 5141483 WJBVMJYASZWGBL-RDTXWAMCSA-N 343.427 2.233 0 1 EEAF biogenic Cc1cccc(CNc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)c1 82212899 QGHDSMIDTQRGRH-MRXNPFEDSA-N 339.443 2.407 0 1 EEAF CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1 84653085 ARVPVIJPDFGZBH-INIZCTEOSA-N 341.342 2.317 0 1 EEAF Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(C2CCCC2)CC1 146765837 NPMKKPKCZJHHCM-UHFFFAOYSA-N 342.443 2.018 0 1 EEAF CCOC(=O)C[C@H](C)Nc1nc(N2C[C@H](C)O[C@@H](C)C2)ncc1C 299881310 NUGVJWFLHIMKTC-IHRRRGAJSA-N 336.436 2.152 0 1 EEAF COC(=O)c1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cn1 586907099 KGKPOXMCVYXAPZ-SECBINFHSA-N 325.324 2.325 0 1 EEAF O=C1c2ccc(O)cc2OC2(CS(=O)(=O)C2)[C@@H]1c1ccc(F)cc1 587373889 JNZOPUKIXGEKGC-OAHLLOKOSA-N 348.351 2.057 0 1 EEAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cnn(C)c1)CC2=O 587475002 JPBOLKHSVZONBY-KRWDZBQOSA-N 330.340 2.024 0 1 EEAF COC(=O)C[C@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437392 ZLTXNUSBRDDZGT-YJYMSZOUSA-N 339.347 2.296 0 1 EEAF CCCS(=O)(=O)N1CCC[C@@H](C(=O)c2ccccc2OC)C1 11662403 BACNNWMGTLOPDC-CYBMUJFWSA-N 325.430 2.330 0 3 EEAF C[C@@H](c1ccccc1)N1C(=O)c2c(c(O)c3nccnc3c2O)C1=O 13612252 RUGIXSZMKDPQRI-VIFPVBQESA-N 335.319 2.398 0 1 EEAF C[C@@H]1CCCCC[C@@H](O)C(=O)[C@@H](OC(=O)c2ccccc2)CC(=O)O1 14636794 OWHXCLRNVJQCOY-BMFZPTHFSA-N 348.395 2.428 0 1 EEAF biogenic COC1=C[C@@]2(CC(OC)=C1OC)O[C@@]21COc2ccccc2C1=O 6018307 VPWNKBLLEAZSJZ-ZWKOTPCHSA-N 330.336 2.208 0 1 EEAF Cc1cc(=O)n(CC(=O)N[C@H](C)c2ccccc2)c2c1c(C)nn2C 8603822 WYGPNQKBNSZNBA-CYBMUJFWSA-N 338.411 2.229 0 1 EEAF CC[C@@]12CCCN(CC[C@@]3(O)C(=O)Nc4ccccc43)[C@@H]1OCC2 59205677 FQCHUCFOOQKMIL-QYZOEREBSA-N 330.428 2.455 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NC1[C@H]2CC3C[C@H]1CN(C3)C2 101022733 LBXVOPLYLDLZEV-UDPKNTEWSA-N 335.835 2.001 0 1 EEAF CC(C)c1nccc(C[C@@H]2[C@H](NC3CCCC3)C[C@@H](O)[C@H]2CO)n1 2356288689 JFKHQKVSCUGXHT-WNRNVDISSA-N 333.476 2.033 0 1 EEAF Cc1ccc(CNCC2(O)CCN(C(=O)c3ccccc3)CC2)nc1 64744387 ZPXBRCNWTOBYAX-UHFFFAOYSA-N 339.439 2.147 0 1 EEAF COc1ccc([C@@H]2C(=O)NC(=O)N2c2ccc3[nH]cnc3c2)cc1O 113894439 JWLPLQZPWGTGDM-OAHLLOKOSA-N 338.323 2.075 0 1 EEAF CC[C@H](O)[C@H](C)CC[C@H](C)C=C1CN2CCC[C@@H]2[C@@](C)(O)[C@H]1O 2356478584 JPTCXUSLJGJEHG-SFGZTYNLSA-N 325.493 2.326 0 1 EEAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)C2CCC2)CC[C@]1(C)O 2356552516 SSSPRVZGIBFFPR-LMMKCTJWSA-N 330.428 2.016 0 1 EEAF Cc1ccc(CN2C[C@@H](O)C[C@H]2c2nc(-c3cnccn3)no2)cc1 2356873210 YFNSLAHGAJZUTC-HOCLYGCPSA-N 337.383 2.143 0 1 EEAF CC(C)Oc1cc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 28569808 NLCNEJOWAOTPMV-UHFFFAOYSA-N 349.334 2.477 0 1 EEAF CC(=O)NCn1cc(-c2ccc(-c3c(C)noc3C)cc2)c(=O)o1 28522913 VWCVIPWWDJQQQT-UHFFFAOYSA-N 327.340 2.474 0 1 EEAF CS(=O)(=O)/C=C/c1nc2ccc(I)cc2[nH]1 586927167 TYFJXMFYXHUROU-SNAWJCMRSA-N 348.165 2.183 0 1 EEAF O=C(O)C(=O)CC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605110 XJDJYSLHBGKWBM-ZFWWWQNUSA-N 342.303 2.156 0 1 EEAF NC(=O)[C@@H](N)CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105271 VXZZPVKCGAKEGW-INIZCTEOSA-N 331.375 2.191 0 1 EEAF COC(=O)c1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cn1 587163597 SNNDXABGDDUYQQ-UHFFFAOYSA-N 342.330 2.455 0 1 EEAF CS(=O)(=O)NC(=O)CSCc1ccc(Cl)c(Cl)c1 1857534047 NLXHLRFCKIDLJP-UHFFFAOYSA-N 328.242 2.302 0 1 EEAF Cc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1 13803959 MGXJLOSAFVXSRA-UHFFFAOYSA-N 330.365 2.053 0 1 EEAF O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1ccc(C(F)(F)F)cn1)C2 209529847 PVOVVYHOXGWTIS-MRVPVSSYSA-N 330.222 2.045 0 1 EEAF COc1ccc(OC)c([C@@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@H]32)c1 1857612769 MDCZNDHPKMYHDZ-HUUCEWRRSA-N 327.340 2.126 0 1 EEAF CCCCN(CCN1CCOCC1)C(=O)NCCCc1ccncc1 58603467 OLXZKXBJUTXKKL-UHFFFAOYSA-N 348.491 2.158 0 1 EEAF COC(=O)c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1 26383739 ZWUKNHQASDKHCT-NSHDSACASA-N 325.670 2.378 0 1 EEAF C[C@@H]1C(=O)[C@]23[C@@H](O)[C@@H]1CC[C@H]2[C@@]1(CO)CCCC(C)(C)[C@H]1C[C@H]3O 2356495453 SIHFLKYXQVXCGK-ICIQZJLCSA-N 336.472 2.148 0 1 EEAF CCN(CC)CCCN1C(=O)C[C@@]2(CCCc3ccc(O)cc32)C1=O 27561986 KNONRARFHQFNDP-HXUWFJFHSA-N 344.455 2.457 0 1 EEAF CCCNCC(=O)Nc1ccccc1[C@H]1NC(=O)Cc2ccccc21 33852870 NYASMVOUDSCZDH-FQEVSTJZSA-N 337.423 2.386 0 1 EEAF O=C(c1ccsc1)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 77503616 YCPOMSBJPXWHQI-UHFFFAOYSA-N 338.392 2.092 0 1 EEAF COc1c([C@H]2COc3cc(O)cc(O)c3C2=O)ccc2c1OCO2 138629670 PAUFFNPFPHTSSH-SNVBAGLBSA-N 330.292 2.194 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)CN1CCN(C)CC1)O2 587399662 MHUSDVIGBYXSAO-QGZVFWFLSA-N 331.460 2.185 0 1 EEAF CCCc1c(C(=O)O)[nH]c(C)c1-c1ccc2c(O)nc(O)nc2n1 587553262 ARTZVTZAZAKQAB-UHFFFAOYSA-N 328.328 2.390 0 1 EEAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(NC(N)=O)cc3)nc2c1 587244017 VIESOFOBAADFEC-UHFFFAOYSA-N 330.369 2.124 0 1 EEAF CCOc1n[nH]c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1Br 586979701 IADQNDIXQXQEHB-UHFFFAOYSA-N 349.192 2.398 0 1 EEAF C=CN1CC[C@H]([C@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)C1=O 963639343 UXQWLNHYLVOYKU-UHYGZKCKSA-N 330.428 2.445 0 1 EEAF Cc1cc2c(cc1O)[C@@H](c1cc(C(C)(C)C)n[nH]1)N[C@H](C(=O)O)C2 963528555 UIGAPBSRXNBALL-BBRMVZONSA-N 329.400 2.410 0 1 EEAF O=C(O)[C@@H](CCCCn1cnc2c1NC=NC[C@H]2O)c1ccccc1 13807342 HPKYTRFCSRXETB-LSDHHAIUSA-N 342.399 2.409 0 1 EEAF COc1cc(C[C@H](CO)Oc2ccc(CCCO)cc2O)ccc1O 14438054 PGLMLQXSCSFXOP-OAHLLOKOSA-N 348.395 2.014 0 1 EEAF biogenic COc1ccc2cc([C@H](C)C(=O)NN3C(=O)CCC3=O)ccc2c1 1857651392 VASYFZOESRJRPL-NSHDSACASA-N 326.352 2.132 0 1 EEAF C[C@@H]1CC=CCC[C@@H](O)CC(=O)Cc2cc(O)cc(O)c2C(=O)O1 1857646722 BOOGYPBXHOLWJD-DGCLKSJQSA-N 334.368 2.246 0 1 EEAF COc1ccc2cc(CCNC(=O)Cc3ccccc3)c(=O)[nH]c2c1 4032855 JHYIGYWUEOPSJW-UHFFFAOYSA-N 336.391 2.438 0 1 EEAF CCN(CC)[C@@H](c1ccc(F)cc1)c1nnnn1C[C@H]1CCCO1 4190683 WZERLXNSIQRQIZ-CVEARBPZSA-N 333.411 2.422 0 3 EEAF COc1cc(C=CCO)ccc1C[C@H](CO)[C@@H](O)c1ccc(O)cc1 2356355778 HCMFTRPSMOLYLT-XLIONFOSSA-N 344.407 2.291 0 1 EEAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(OC)cc1 2356298521 IUKLUPVZGJSCJN-QLFBSQMISA-N 338.473 2.094 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3C4=C(CCCC4(C)C)[C@H](O)[C@@H]23)OC1=O 2356535525 CDBBMEYPRMUMTR-VDERGJSUSA-N 346.379 2.139 0 1 EEAF O=c1ccc2cc(OC[C@@H](O)CNCCc3ccccc3)ccc2[nH]1 27109849 MOBQTGXWJSGMSI-KRWDZBQOSA-N 338.407 2.100 0 1 EEAF Cc1ccccc1-c1nc(C(=O)NCC(=O)NCc2ccco2)co1 82071962 UBJHDCUUMINBBV-UHFFFAOYSA-N 339.351 2.289 0 1 EEAF CCC(=O)O[C@H]1C[C@@H]2N[C@H](C1)C[C@H]2OC(=O)/C=C/c1ccccc1 238758371 JUPCRQLGNACVMQ-VHJJIYPMSA-N 329.396 2.458 0 1 EEAF Cc1noc(-c2ccc(N3C[C@H](Cn4ccnc4)OC3=O)cc2F)n1 96928835 RNIVVIRHMUXWBG-LBPRGKRZSA-N 343.318 2.406 0 1 EEAF COC(=O)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862712 WQEVUIFOTYUZGX-UHFFFAOYSA-N 328.246 2.391 0 1 EEAF Oc1cccc([C@@H](O)c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 586893794 WRLPCQYKDFKPSE-GOSISDBHSA-N 339.395 2.182 0 1 EEAF CN1CCN(c2ccc3nc([C@@H](O)c4cccc(O)c4)[nH]c3c2)CC1 586893070 TWLJVBCDKXVJDW-SFHVURJKSA-N 338.411 2.102 0 1 EEAF C=C1NN(CC(=O)OCC)C(=O)N1c1ccc(Br)cc1 957578443 JNVQRXSDTVGERD-UHFFFAOYSA-N 340.177 2.230 0 1 EEAF O=C(Oc1ccc2c(c1)-c1nc3nonc3nc1C2=O)c1ccccc1 1772600162 OXVQYEBFDQUEEC-UHFFFAOYSA-N 344.286 2.443 0 1 EEAF O=C(O)C1=CNN2C1=N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 13130361 NTHNIUYWFWSGDD-WDEREUQCSA-N 329.253 2.389 0 3 EEAF CC(=O)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 13492052 VBAMHCURABVZMJ-UHFFFAOYSA-N 326.331 2.146 0 1 EEAF CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@@H](O)CN1CCCCCC1)C2=O 13564352 HVUSCPODFBEQJZ-YZVOILCLSA-N 336.476 2.035 0 3 EEAF COc1cc(Cn2cnc3c(Cl)nc(N)nc32)cc(OC)c1OC 14974549 BLVDRYKMRPWIBL-UHFFFAOYSA-N 349.778 2.136 0 1 EEAF Cc1nn(C)c2nc3cc(CO)ccc3c(NCCCN(C)C)c12 169329620 VCKHYRUGOBSRJE-UHFFFAOYSA-N 327.432 2.286 0 1 EEAF CN1C(=O)CCc2cc(-c3cncc4c3CCCN4CCN)ccc21 204995510 TZELLUZARLORKL-UHFFFAOYSA-N 336.439 2.369 0 1 EEAF Cc1cccc(Nc2ncnc3oc(C)c(C(=O)NCCO)c23)c1 1857774608 KOYZMQVBPVKZIB-UHFFFAOYSA-N 326.356 2.305 0 1 EEAF O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@H]2C(=O)N1CNc1ccc(Cl)c(Cl)c1 104649537 RHNCKSQAHBJZPH-WUHRBBMRSA-N 339.178 2.301 0 1 EEAF C/C=C1/CN2[C@H]3C[C@H]1[C@@](O)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 101269050 OKMCUGQBUHYVEP-FAAZOFTCSA-N 338.407 2.320 0 1 EEAF NC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCC4)cs2)CC1 72178582 BEGWKAGBEKXKAX-UHFFFAOYSA-N 329.425 2.447 0 1 EEAF O=C1NCCN1c1ccc(S(=O)(=O)Oc2cccc(F)c2)cc1 72108457 NBRLTEONLGFNQZ-UHFFFAOYSA-N 336.344 2.123 0 1 EEAF Cc1ccc(Cn2nc(OC(C(=O)O)C(=O)O)c3ccccc32)cc1 49066667 YXVMMSDDHDNKBM-UHFFFAOYSA-N 340.335 2.310 0 1 EEAF C[C@@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1 40374151 GOHDSZGHAHFEHG-IUGCTLBMSA-N 342.439 2.440 0 1 EEAF CC[C@@H]1Cn2c(c(NCc3ccsc3)c(=O)n(C(C)C)c2=O)N1 82207526 ICIDZUBCZVLKJO-GFCCVEGCSA-N 334.445 2.469 0 1 EEAF CNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1 96273909 LMSIUSJNFLQITQ-UHFFFAOYSA-N 349.398 2.177 0 1 EEAF CC[C@H](C)[C@@H](CO)NC(=O)[C@@]1(C)CON=C1c1ccc(N(C)C)cc1 299880955 NDLAXTVKKYJBGD-CRFBAAHOSA-N 347.459 2.016 0 1 EEAF CC(=O)OCC1(COC(C)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587521030 HSEAUXRPAWGIRI-UHFFFAOYSA-N 346.379 2.396 0 1 EEAF COC(=O)c1cc(Br)c2[nH]c([C@@H](N)[C@H](C)F)nc2c1 587123394 IXGKUJRVROINGS-CDUCUWFYSA-N 330.157 2.470 0 1 EEAF CCCc1nc(-c2nc3c(O)ncnc3[nH]2)nn1-c1ccccc1F 587156559 VQUDQKZEZPRBGQ-UHFFFAOYSA-N 339.334 2.398 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CC(=O)NC2(CCC2)C1 963602629 ADTGAFBQSLKGJZ-BUXKBTBVSA-N 330.428 2.266 0 1 EEAF O=c1onc2n1-c1cc(Cl)ccc1C(=S)N1CSC[C@H]21 5822918 FBJOAKRURSFJDI-SECBINFHSA-N 325.802 2.215 0 1 EEAF COc1ncc(-c2cccc(-n3nnc(-c4ccccn4)n3)c2)cn1 28386730 ZYMZYPITWAKBMK-UHFFFAOYSA-N 331.339 2.190 0 1 EEAF CC(C)C[C@H](CO[P@](=O)(O)[C@H](N)Cc1ccccc1)C(=O)O 29347615 PQHRQBCKQQETSH-KGLIPLIRSA-N 329.333 2.463 0 1 EEAF COc1cc(C2=NN[C@H](c3ccc(F)cc3)[C@H]2O)cc(OC)c1OC 28462240 LCNKRCCSBKDQRI-NVXWUHKLSA-N 346.358 2.261 0 1 EEAF O=C(CCNC[C@H](O)COc1ccccc1)Oc1ccc(F)cc1 29210587 CBPSVHMKJWJJAY-HNNXBMFYSA-N 333.359 2.151 0 1 EEAF CC(C)NC(=O)[C@@]1(C)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 61929096 KELTWJUODWHMAO-LJQANCHMSA-N 339.395 2.066 0 3 EEAF C[C@]1([C@H](O)CO)C=C2CC[C@H]3[C@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]2CC1 2356684314 MXHRQWXLVXRIMG-BWGCIZRJSA-N 338.488 2.252 0 1 EEAF CCOC(=O)C1=C(O)[C@H]2[C@@H]3C[C@H]4[C@H]2C(O)=C(C(=O)OCC)[C@H]2[C@H]1[C@H]3[C@@H]42 195504748 GDMNLDOPKZZEJL-OIGAXSKRSA-N 346.379 2.125 0 1 EEAF O[C@H]1C[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]12 253685813 MORPIEPGKNRPKN-WKULXVSPSA-N 334.412 2.142 0 1 EEAF COc1ccc(C(=O)O[C@H]2C[C@H]3C[C@H](OC(C)=O)[C@@H](C2)N3C)cc1 253640234 XAFSVSVXERZSBU-LLLHUVSDSA-N 333.384 2.019 0 1 EEAF Cc1cccc2[nH]c(CCNC(=O)c3ccc(-n4cnnc4)cc3)nc12 299857301 FFTHAMSHMREEEM-UHFFFAOYSA-N 346.394 2.425 0 1 EEAF CCS(=O)(=O)c1cccc(Cc2nc3cc(OC)ncc3[nH]2)c1 586922065 POWVGRMCTDDJGQ-UHFFFAOYSA-N 331.397 2.351 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4cnn(C)c4)nc1)[C@@H](C2)C3=O 587432151 OAFMDCSBMGZLIP-KBXCAEBGSA-N 348.362 2.374 0 1 EEAF COC(=O)Cc1ccccc1-c1nc2c(C(=O)OC)ccnc2[nH]1 587782992 BSHRYQLNOVEWTN-UHFFFAOYSA-N 325.324 2.127 0 1 EEAF CCOC(=O)C(=O)C[C@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1 587401774 YIUBDDBPZQPZGS-SFHVURJKSA-N 331.368 2.214 0 1 EEAF CCOC(=O)C[C@@]1(c2ccn(C)n2)CC(=O)c2cc(C)cc(N)c2O1 587393232 ZYEBHJJKHDXSIM-GOSISDBHSA-N 343.383 2.125 0 1 EEAF N[C@@H](Cc1cccc(Br)c1)c1nc2c(O)ncnc2[nH]1 586984947 WNPKLLVHPADKIL-VIFPVBQESA-N 334.177 2.064 0 1 EEAF CCOCCCN1CC[C@@]2(NCCc3c(C(=O)O)cccc32)[C@H](C)C1 963130453 JBCZTNZVFDXBPO-FOIQADDNSA-N 346.471 2.494 0 1 EEAF COc1cnc([C@@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cn1 963610286 OVVVUWWMRIFDLE-BBATYDOGSA-N 329.400 2.300 0 1 EEAF CN(C)CCNc1nc(Nc2ccc(F)c(F)c2)nc2c1cnn2C 1772575104 IEXHHLMZKXKKQI-UHFFFAOYSA-N 347.373 2.359 0 1 EEAF COc1ccc(N(C)c2nc(NCCO)nc3ccccc23)cn1 201826963 BMSGSIIHDIWNMJ-UHFFFAOYSA-N 325.372 2.206 0 1 EEAF CC(=O)Oc1cc(C[C@H]2COc3cc(O)cc(O)c3C2=O)ccc1O 1857606824 NRHOZKUZDYUSDM-NSHDSACASA-N 344.319 2.163 0 1 EEAF COc1cc(-c2nc3nc4c(c(O)n3n2)CCC4)cc(OC)c1OC 8968701 JPLZSWIFKHUDFN-UHFFFAOYSA-N 342.355 2.011 0 1 EEAF OC1(c2cccnc2)CCN(Cc2nnnn2C2CCCCC2)CC1 59818035 BVIZOBHRLLOSKA-UHFFFAOYSA-N 342.447 2.057 0 3 EEAF CC[C@@H](C(=O)Nc1cccc(OC)c1)N1C(=O)CCn2nccc21 20413402 WPOHFZLYFMSWMR-AWEZNQCLSA-N 328.372 2.046 0 1 EEAF CCC[C@H](CC1(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)CCCC1)C(=O)O 34803423 QESHLPVSQRLPLL-BFHYXJOUSA-N 338.448 2.208 0 1 EEAF COc1ncc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2n1 71330161 ONEUVIAHGIRCSB-UHFFFAOYSA-N 343.339 2.223 0 1 EEAF O=C(Nc1cc(F)cc(F)c1)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)c1 73170087 NDIIIBWDLSHXIG-BETUJISGSA-N 344.365 2.268 0 1 EEAF COc1cc(C)c2nc3[nH]nc(C)c3c(NC[C@@H]3CNCCO3)c2c1 73196882 MDMMKXOMSGCFKD-ZDUSSCGKSA-N 341.415 2.137 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncnc2N)N1 587746621 MYJVEFWEMNSBRG-WPPNPWJKSA-N 337.196 2.584 0 1 EEAF CN(Cc1ccccc1)[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587370440 WTOJURHSGRZBSF-CQSZACIVSA-N 336.395 2.425 0 1 EEAF CCOC(=O)C1[C@@H]2CC3(C[C@@H]12)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 587440261 FRHCPCCXWAALMQ-ZZFUMDHMSA-N 328.364 2.401 0 1 EEAF C=CN1CC[C@H]([C@]2(c3ccccn3)NCCc3c(C)ccnc32)C1=O 963094575 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EEAF C[C@@H]1C(=O)[C@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]3O 2356405003 DGJOOPBLQWTUNK-CVTOCRJDSA-N 336.472 2.147 0 1 EEAF CN(C(=S)Nc1ccccc1)[C@H]1CC[C@H](C2OCCO2)C[C@@H]1O 4116768 MSOCHUTXXFQEET-QEJZJMRPSA-N 336.457 2.218 0 1 EEAF CCCOc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1 4169426 GQBSEIWMRODMBU-UHFFFAOYSA-N 329.404 2.141 0 3 EEAF CN1[C@H]2COC[C@H]1CC(NC(=O)N1CC(C)(C)c3ccccc31)C2 102212425 LYHDROFKRZXMBM-HUUCEWRRSA-N 329.444 2.355 0 1 EEAF COc1cc(C=CC(=O)Nc2ccc(O)cc2C(=O)O)ccc1O 2356452978 JXFZHMCSCYADIX-UHFFFAOYSA-N 329.308 2.457 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3C4=C(CCCC4(C)C)[C@H](O)[C@H]23)OC1=O 2356535526 CDBBMEYPRMUMTR-VRKREXBASA-N 346.379 2.139 0 1 EEAF CO[C@H]1/C=C/[C@@](C)(O)CCC(=O)O[C@H](C)[C@@H](C)[C@H](O)C/C=C/1C 37538370 HYUFUJWFFITERP-AJTVSSMHSA-N 326.433 2.368 0 1 EEAF CN1[C@H](C(=O)NCc2ccco2)C[C@H]2Cn3c(nc4ccccc43)[C@@H]21 36378303 BONJMOFQSPXJNS-AFAVFJNCSA-N 336.395 2.321 0 3 EEAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccccn2)C1 36380757 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330.413 2.306 0 1 EEAF CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@@H]1CN1CCN(C)CC1 26963566 LDEXJZVYCMIKOK-UYAOXDASSA-N 329.488 2.060 0 1 EEAF CC(=O)OCC1=C2CCC=CC[C@@H](OC(C)=O)C(C)=C[C@@H]2OC1=O 2356529275 ZTLGDKVCFHURRE-SJORKVTESA-N 334.368 2.390 0 1 EEAF Cc1cc(C(=O)N2CC[C@@H]3COC(=O)N3c3cc(F)ccc3C2)no1 2356552565 VDCWENWOWUDREX-CYBMUJFWSA-N 345.330 2.493 0 1 EEAF CC(=O)OCC(C)(C)C(=O)[C@@H](O)CC=CC=CC(C)(C)[C@@H](C)O 2356845113 OBNXFUAUNSQGAC-HIFRSBDPSA-N 326.433 2.415 0 1 EEAF Cc1ccc(C(=O)CN(CCC(=O)O)C(=O)c2ccncc2)cc1 36387404 KRYVBZWYWUKCGQ-UHFFFAOYSA-N 326.352 2.190 0 3 EEAF O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)[C@@H]1COCC[C@@H]1N=C2 140078561 PHYVZWNIDCNYML-OLZOCXBDSA-N 335.310 2.072 0 1 EEAF CC1(C)O[C@@H]2O[C@H](C(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 263599076 INTCVMYMFRDPEA-LEOABGAYSA-N 334.368 2.266 0 1 EEAF Cc1nn(C[C@H](C)C(=O)OCCN(C)C)c(C)c1Br 621476480 CEJLGAWDIUHTCT-VIFPVBQESA-N 332.242 2.003 0 1 EEAF Oc1nc(O)c2ccc(-c3ccc(N4CCC(O)CC4)cc3)nc2n1 587557927 MWHGIZSDPOQMIN-UHFFFAOYSA-N 338.367 2.064 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncnn2C)N1 587759741 MMDQRGGODSYNRL-KRTXAFLBSA-N 325.185 2.340 0 1 EEAF Cc1c(O)ccc2c1[C@](c1ccccc1)(C(C)(C)N)N[C@H](C(=O)O)C2 963486943 ACVSNMNRNDIBCU-MGPUTAFESA-N 340.423 2.280 0 1 EEAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ncn1 962955215 KEPZWZWAGDYLBF-FZMZJTMJSA-N 339.729 2.405 0 1 EEAF O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2S(=O)(=O)N1CCCCc1ccncc1 169295387 AWLGVKCXSOFROF-WCXIOVBPSA-N 346.452 2.157 0 1 EEAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCC(C)(C)C)n1 2356305625 RWZDOOVWZPDPNP-HZMVEIRTSA-N 335.492 2.136 0 1 EEAF COc1cc2c(cc1O)-c1c3c(cc4c1[C@@H](C2)N(C)C[C@H]4O)OCO3 2356331563 ZKVBEKITZRNFLX-TZMCWYRMSA-N 341.363 2.373 0 1 EEAF CCOC(=O)c1c(N(C)C(=O)CC)sc2c1CCN(C(C)=O)C2 3964036 UOVFBIQRVDGKTL-UHFFFAOYSA-N 338.429 2.202 0 1 EEAF COc1ccc(-c2cc3c(C)nc(N)nc3n(C(C)C)c2=O)cn1 64528119 MLPHIXLIZYLZRW-UHFFFAOYSA-N 325.372 2.334 0 1 EEAF O=C(NCc1[nH]nc2c1CCC2)Nc1nnc(-c2ccco2)s1 23311107 PJRKAEUUWWKOFO-UHFFFAOYSA-N 330.373 2.332 0 1 EEAF O=C(O)CCC=CC[C@@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)O 2356457674 XWRIIHRGMKHPHN-JKSUJKDBSA-N 338.400 2.443 0 1 EEAF CON(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O 28951072 DZOLTDUIQVOXKR-UHFFFAOYSA-N 336.200 2.338 0 1 EEAF COc1cc(O)c2c(c1)[C@@H](O)[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C 14714108 SOOJTMCFQOPUHB-QZTJIDSGSA-N 341.363 2.373 0 1 EEAF biogenic CCCNC(=O)[C@@H](Cc1ccccc1F)NC(=O)c1ccccn1 36389128 UFZWBWHQNILYST-MRXNPFEDSA-N 329.375 2.088 0 3 EEAF Nc1nc(-c2ccco2)c2nnn(Cc3c(F)cccc3F)c2n1 40891514 KORPBNVHOKHHID-UHFFFAOYSA-N 328.282 2.390 0 1 EEAF CCCCCNc1ncnc2c1nc(C1CC1)n2CCNC(C)=O 82186911 MRCWIIRLNKFAHI-UHFFFAOYSA-N 330.436 2.442 0 1 EEAF COc1c2c(c(C(C)C)c3oc(CO)cc(=O)c13)O[C@H](C(C)(C)O)C2 85594506 HXAVORFMFQJRGH-ZDUSSCGKSA-N 348.395 2.492 0 1 EEAF biogenic,in-vitro N[C@@H](CCC(=O)Nc1ccc(OCCc2ccccc2)cc1)C(=O)O 40918557 LXNLZSBSUTWVJA-KRWDZBQOSA-N 342.395 2.439 0 1 EEAF in-vivo CCOC(=O)C(=O)Nc1nc(-c2cc(OC)cc(OC)c2)cs1 40504107 QAFOJUTXJZRHTB-UHFFFAOYSA-N 336.369 2.329 0 1 EEAF 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EEAF CCOC(=O)CNc1c(-c2ccco2)nc2ccc(C(=O)OC)cn12 1857562271 HFZOCGYNGNCMJO-UHFFFAOYSA-N 343.339 2.356 0 1 EEAF CC=C1CO[C@H](O)[C@H]2[C@H]3Cc4c([nH]c5ccc(O)cc45)[C@@H](C[C@@H]12)N3 2356603196 BAVRLOVTOBIXTQ-MGYSMYSOSA-N 326.396 2.360 0 1 EEAF NS(=O)(=O)c1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1 64548679 YHTLRXRPPLQTCS-NTUHNPAUSA-N 334.784 2.480 0 1 EEAF CN(c1ccc2c(c1)CCNCC2)S(=O)(=O)c1ccccc1F 40950232 UGVGXZWJBFTKAP-UHFFFAOYSA-N 334.416 2.339 0 1 EEAF Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)cc3F)c2n1 40395621 MIHQHTZJUYIODA-UHFFFAOYSA-N 328.282 2.390 0 1 EEAF C[C@H]1CCC[C@@H](O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 84604603 BDYVVSINDMFZGR-NRMVKKSMSA-N 336.384 2.342 0 1 EEAF Cc1nn(C)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1Cl 587651836 PQXHCZYYWYZVAU-UHFFFAOYSA-N 337.166 2.434 0 1 EEAF O=C(NCc1nc2ccc(Br)nc2[nH]1)c1cscn1 587028635 UWPBIFOQQGLXEA-UHFFFAOYSA-N 338.190 2.107 0 1 EEAF COc1ccc2c(c1)CC[C@](N)(c1nc3c(Cl)ncnc3[nH]1)C2 587247704 XNQSQYOJLNCZEZ-MRXNPFEDSA-N 329.791 2.358 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C)[C@@H](C(=O)OC)C1)CC2=O 587476015 NZLXKMIDMHVHMU-AUUYWEPGSA-N 347.411 2.316 0 1 EEAF COC(=O)c1c(-c2ccccn2)[nH]c2ccc(S(C)(=O)=O)cc12 587650893 GUVNXXHOSBZJMQ-UHFFFAOYSA-N 330.365 2.420 0 1 EEAF CCNc1nc(Nc2ccc(N3CCOCC3)cc2)nc2[nH]cnc12 13648434 KKZBKTXGNJMFDU-UHFFFAOYSA-N 339.403 2.365 0 1 EEAF NC(=O)N[C@@H]1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1 13860522 BDBXUEHZDXTSSZ-GOSISDBHSA-N 339.439 2.399 0 1 EEAF CN1CCN(c2cc(-c3ccncc3)nc(-c3cccnc3)n2)CC1 1498371 YXFNFUPRMMEZEJ-UHFFFAOYSA-N 332.411 2.352 0 1 EEAF Fc1ccc(Nc2nc3[nH]cnc3c(=NC3CCOCC3)[nH]2)cc1 1857634316 XTFJYQDYABBJQY-UHFFFAOYSA-N 328.351 2.248 0 1 EEAF Cc1[nH]n(-c2ccccc2)c2nc(=O)c(CNC[C@@H]3CCCO3)cc1-2 103950364 CZIGCRDGPBGIIC-INIZCTEOSA-N 338.411 2.242 0 3 EEAF Fc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1F 21039223 HHCVCUILVOVNGD-UHFFFAOYSA-N 346.381 2.150 0 1 EEAF C[C@]1(C(=O)NCC(F)(F)F)CCN1C(=O)C1(c2ccccc2)CC1 61926624 CZXAUMFGVTZWSS-OAHLLOKOSA-N 340.345 2.388 0 3 EEAF C1CCC(c2nc3c(c(N4CCN5CCC[C@@H]5C4)n2)CCNCC3)C1 72419784 JXSIGTLUGUEBTD-MRXNPFEDSA-N 341.503 2.107 0 1 EEAF C[C@H]1O[C@@H](SCCC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@@H](O)[C@@H]1O 40631456 HWVMUFHBNMDWTI-FDSDIZMCSA-N 342.501 2.154 0 1 EEAF CC[C@@H](C)[C@@H]1C[C@H]([C@H](C)CC)C=C1[C@H](O)C[C@H](O)[C@H](O)C(=O)O 95909696 RKOUCPMGBBKLNK-XUFPZOPOSA-N 328.449 2.199 0 1 EEAF biogenic,in-vitro Cc1ccc(-c2csc(NC(=O)[C@@H]3CCC(=O)NN3)n2)c(C)c1 618012896 FJRRZHJFKDMKQN-LBPRGKRZSA-N 330.413 2.149 0 1 EEAF CCOC(=O)[C@@](C)(OC(C)=O)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398124 CEEGONZSGRILSS-QZTJIDSGSA-N 349.383 2.186 0 1 EEAF CCOC(=O)C[C@H](C[C@@]1(C)NCCc2c(C)ccnc21)C(=O)OCC 963073501 QKUYIRQQVRAYHF-AUUYWEPGSA-N 348.443 2.274 0 1 EEAF Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(F)c(O)c1 225940125 QSQHTZMUYGOEGK-UHFFFAOYSA-N 337.318 2.174 0 1 EEAF COC(=O)[C@@H]1N2C(=S)N(c3ccccc3)C(=O)[C@H]2SC1(C)C 5925133 PEQGUVGKGOUDGE-CMPLNLGQSA-N 336.438 2.013 0 1 EEAF O[C@H](CCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 13730897 GJHQJZCASPURFX-MRXNPFEDSA-N 334.370 2.001 0 1 EEAF CCOc1ccc2c(c1)OC(N)=C1C(=O)N(CC(C)C)C(=O)C[C@@H]12 1857640509 FOLCNWNQGCEQOM-CYBMUJFWSA-N 330.384 2.147 0 1 EEAF C[C@@]1(c2ccncc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O 1857571275 LAZRUDZNHQTMHQ-KRWDZBQOSA-N 345.305 2.010 0 1 EEAF O=C(Nc1ccc2c(c1)C(=O)NS2(=O)=O)c1ccc(Cl)cc1 1857609499 ZFBVUFNMKSTGRF-UHFFFAOYSA-N 336.756 2.024 0 1 EEAF NS(=O)(=O)Oc1ccc2oc(CCc3ccccc3)cc(=O)c2c1 13491328 FXTJMNQBLTUWIZ-UHFFFAOYSA-N 345.376 2.161 0 1 EEAF CCCN(C1=N[C@H]2CS(=O)(=O)C[C@H]2S1)c1ccccc1F 6803867 NMMHGXRBIWGBTM-WCQYABFASA-N 328.434 2.311 0 1 EEAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1cc(O)cc3c1OC(C)(C)C3)C2 101276484 XDBKBIKMLNHPLX-ZIAGYGMSSA-N 330.428 2.461 0 1 EEAF Nn1c(S[C@H](C(=O)O)c2ccccc2)nc2ccccc2c1=O 40864083 LWJZDIUAYDTSCM-ZDUSSCGKSA-N 327.365 2.028 0 1 EEAF Cc1nn(C)cc1Nc1cnc2[nH]cc(C(=O)NC(C)(C)C)c2n1 145152942 BTMFTOKULDCEBW-UHFFFAOYSA-N 327.392 2.272 0 1 EEAF Cn1cc([C@H](NC(=O)c2ccc3scnc3c2)C2CC(O)C2)cn1 230532621 BTUDQMSJFGTVON-IJGSQOGDSA-N 342.424 2.272 0 1 EEAF CC(C)(C)OC(=O)NC[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587553312 GIXATRROLRUUBW-SECBINFHSA-N 346.387 2.066 0 1 EEAF CCN(CC)S(=O)(=O)c1ccc2nc([C@](C)(O)C(C)C)[nH]c2c1 586888082 KIGLBFYPPPHFPQ-MRXNPFEDSA-N 339.461 2.457 0 1 EEAF C[C@H](O)Cc1nc2c(I)cnc(Cl)c2[nH]1 586889644 GPHQSGZPUCQOAT-BYPYZUCNSA-N 337.548 2.139 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(COC[C@H]1C(=O)OCC)CC2=O 587490984 MQSZQLISBVBBLZ-SCLBCKFNSA-N 334.368 2.258 0 1 EEAF COC(=O)c1ccnc2[nH]c(CC(=O)OCc3ccccc3)nc12 587782943 SRKNBHRBKPELAT-UHFFFAOYSA-N 325.324 2.030 0 1 EEAF COC(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2n1 587171310 LSZJIUGKJYQFTF-UHFFFAOYSA-N 343.314 2.341 0 1 EEAF Cn1nc(C(F)(F)F)cc1-c1nc2c(S)nc(S)nc2[nH]1 587117167 HROZYMIGTNYBRG-UHFFFAOYSA-N 332.336 2.350 0 1 EEAF CN1CCc2cn(C)nc2[C@@]1(C)c1cnn(-c2ccccc2)c1F 963955555 QKQHNSJKGRSNKV-GOSISDBHSA-N 325.391 2.496 0 1 EEAF CC(C)(C)n1nnnc1[C@H](C1CC1)N1C(=O)C(=O)c2ccccc21 206063266 GCEAVIRSMMDFIP-ZDUSSCGKSA-N 325.372 2.109 0 3 EEAF O=C1c2cc(Br)ccc2-n2c1nc1ncccc1c2=O 3597730 BFDUTZXTJZMXIN-UHFFFAOYSA-N 328.125 2.088 0 1 EEAF O=C(CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2)NC1CC1 4908176 KJTLSXGIBHEINN-AYHJJNSGSA-N 341.455 2.081 0 1 EEAF O=C1[C@H]2[C@H]([C@H]3C=C[C@H]2CC3)S(=O)(=O)N1CCCCc1ccncc1 100009127 AWLGVKCXSOFROF-NXOAAHMSSA-N 346.452 2.157 0 1 EEAF CC(C)CN1C(=O)CN(C)C(=O)c2c1ncn2Cc1ccccc1 26673657 QUFXKEUIDGLHOZ-UHFFFAOYSA-N 326.400 2.006 0 1 EEAF O=c1c2cc(Br)ccc2nnn1CCCCn1ccnc1 26392632 ZMJJPUOTTIFUPJ-UHFFFAOYSA-N 348.204 2.231 0 1 EEAF COc1ccc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cn1 114511278 GMDFBJKMPHZUTJ-UHFFFAOYSA-N 348.370 2.224 0 1 EEAF Cc1ccsc1C(=O)N1CC[C@@]1(C)C(=O)NCc1cccnc1 61929674 XYWZHRGIMMLMLD-KRWDZBQOSA-N 329.425 2.373 0 3 EEAF Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cc1 72124508 CAIDLKSVZKWPJK-LSDHHAIUSA-N 340.431 2.309 0 1 EEAF C[C@@H]1N[C@@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O 31894836 JLJNCYCVSFKQGY-QDXWALROSA-N 338.363 2.024 0 1 EEAF CC(=O)Oc1c(C)c(OC(C)=O)c2c(c1C)[C@@H](C)[C@](C)(O)OC2=O 13480658 PZRLZTDKTOVBJT-VVVCHXIZSA-N 336.340 2.136 0 1 EEAF biogenic c1cc(-c2cnc(N3CCCC3)c(N3CCNCC3)n2)c2cc[nH]c2n1 45391628 OGPFJRNUCSCJQP-UHFFFAOYSA-N 349.442 2.030 0 1 EEAF Cc1cnc(N2CCN(C)CC2)nc1NCCc1cccc(F)c1 82202306 NHRDOQOUBDPYRP-UHFFFAOYSA-N 329.423 2.331 0 1 EEAF O=C(C[S@@](=O)C1c2ccccc2-c2ccccc21)N1CCOCC1 84757953 LBBZDTQTOWOOME-DEOSSOPVSA-N 341.432 2.364 0 1 EEAF Cc1ccc(N2C(=O)N[C@H]3CCN(C(=O)C4CCCC4)[C@H]3C2=O)cc1 25410394 UIBVGPOKMCYZSF-JKSUJKDBSA-N 341.411 2.211 0 1 EEAF biogenic CCS(=O)(=O)c1ccc2nc([C@@H](NC)c3cccnc3)[nH]c2c1 587227211 WUGSLKIMMBZPFH-HNNXBMFYSA-N 330.413 2.060 0 1 EEAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587961887 GZNZSGRBJMGVOD-UONOGXRCSA-N 326.444 2.472 0 1 EEAF CN(C)C[C@@H]1O[C@@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@@H]1O 2356353405 NHZXAWYHZAQHLG-RYRKJORJSA-N 332.400 2.060 0 1 EEAF CC(=O)N1C[C@@H]2CC[C@](C)(C1)c1ccc(OP(=O)(O)O)cc12 29204920 CIPTXXZNGNDHLX-XHDPSFHLSA-N 325.301 2.155 0 1 EEAF O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100978286 VMEDHRYDUGZJAU-MPKXVKKWSA-N 331.807 2.298 0 1 EEAF CN1CCN(Cc2ccc(Cl)c(Cl)c2)[C@H](C2=NCCN2)C1 55906566 CCWIMIXGTMUXSJ-AWEZNQCLSA-N 327.259 2.111 0 1 EEAF CS(=O)(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 100109244 YYUUHZHMWGNERJ-BCDXTJNWSA-N 328.437 2.053 0 1 EEAF COc1ccc2c3c(ccc(OC)c13)C(=O)N(CCN(C)C)C2=O 28228115 CDYUMDKYGCJQQL-UHFFFAOYSA-N 328.368 2.015 0 1 EEAF O=C(CN1CCN(C2CCC2)CC1)[C@](O)(c1ccccc1)C1CCC1 22940316 JTTYXNMXDRFZJJ-NRFANRHFSA-N 342.483 2.414 0 1 EEAF CC(=O)O[C@@H]1[C@H](OCc2ccccc2)O[C@@H](C)[C@]12COC(C)(C)O2 13435767 HRNWKZDPMOLOIP-LMWIJYBJSA-N 336.384 2.401 0 1 EEAF biogenic CNC(=O)c1cc(C(N)=O)cc2c1O[C@H](CF)[C@H]2c1ccccc1 1911586564 HVXJTXDGSUJOOO-CABCVRRESA-N 328.343 2.008 0 1 EEAF COc1ccccc1[C@@H]1SCCC(=O)N1NC(=O)c1ccncc1 84632823 BQOMLZVTHYMJPX-KRWDZBQOSA-N 343.408 2.399 0 1 EEAF Nc1nc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n[nH]1 96903315 CQUWJEKMVQQYOP-UHFFFAOYSA-N 327.219 2.016 0 1 EEAF COc1cc(O)c(-c2cc(=O)c3c(O)cc(O)c(OC)c3o2)cc1O 238752975 XRIGGQUTPYWOPL-UHFFFAOYSA-N 346.291 2.300 0 1 EEAF O=C(NCCc1ccc(O)cc1)c1cc2ccc(O)cc2oc1=O 299835818 XPJSDAVSTGFBKS-UHFFFAOYSA-N 325.320 2.177 0 1 EEAF COc1cc(OC)c(-c2ccc3c(O)nc(O)nc3n2)c(OC)c1 587560019 TTWYSSMJGNZKDY-UHFFFAOYSA-N 329.312 2.129 0 1 EEAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587163411 LCYXLFVRDBRGQR-HNNXBMFYSA-N 348.403 2.000 0 1 EEAF C[C@H]1C[C@H]2C=CC[C@@H](CC(=O)Cc3cc(O)cc(O)c3C(=O)O1)O2 2356344077 YPFCFISQQPPOOK-VQISRLSMSA-N 332.352 2.262 0 1 EEAF CCCCc1cc(C(=O)Nc2nnn[nH]2)nc(-c2ccc(N)cc2)c1 29253415 FKCUMEZILNUSAT-UHFFFAOYSA-N 337.387 2.439 0 1 EEAF Cc1noc(C)c1Cn1cc(N2C(=O)N[C@@H](CC(C)C)C2=O)cn1 115730362 DZLHIGSLVFSNSH-AWEZNQCLSA-N 331.376 2.007 0 1 EEAF C/C=C/C[C@H](O)C(=O)[C@@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)O)CO1 27435886 AHOVOJJBJRQBJK-DQFAHHFDSA-N 342.432 2.338 0 1 EEAF OC[C@@H]1CCCCN1CCn1ccnc1-c1nc2ccccc2[nH]1 71497996 BPFNOXGNXWJAQX-AWEZNQCLSA-N 325.416 2.273 0 1 EEAF O=[N+]([O-])C(=C(\Cl)NCCO)/C(Cl)=C(/Cl)Br 31870613 OKDDJUDWZYVTDG-CIIODKQPSA-N 340.388 2.295 0 1 EEAF CCC(=O)NC1CCCN(S(=O)(=O)c2ccc(F)cc2)CCC1 73294172 HLKXVSBHWYRCBS-UHFFFAOYSA-N 342.436 2.285 0 1 EEAF O[C@H]1CO[C@H](n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)[C@H]1O 49014303 JWUSTNLBSHEJLK-AVGNSLFASA-N 344.198 2.168 0 1 EEAF Oc1cccc(-c2nc(N3CCOCC3)c3cc4ncccc4n3n2)c1 73220712 LJTLZVJGIDARMU-UHFFFAOYSA-N 347.378 2.487 0 1 EEAF COc1ccc(C[C@@H]2C(=O)c3c(O)c(C)c(O)c(C)c3O[C@@H]2O)cc1 14811086 PLNGZQZXHIURST-YJYMSZOUSA-N 344.363 2.476 0 1 EEAF biogenic COc1ccc(CNc2nc(N3CCN(C)CC3)ncc2C)cc1 82202300 DNDDXVTWMPIJIQ-UHFFFAOYSA-N 327.432 2.158 0 1 EEAF C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2cccc(Cl)c2)n1 45315606 XNKVEUPMYXRIGF-CYBMUJFWSA-N 346.862 2.017 0 1 EEAF CCOc1ccc(C(=O)NC)cc1NC(=O)c1cccc(C(=O)O)c1 653700515 QVHILRBUZBDTKS-UHFFFAOYSA-N 342.351 2.395 0 1 EEAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](C)O)nc2c1 586887078 DNPSBORPRMOUBB-SSDOTTSWSA-N 327.178 2.425 0 1 EEAF CCOC(=O)C[C@]1(c2nccn2C)NCCc2c1sc(C)c2C 963031112 STONLCZWZCGVLM-KRWDZBQOSA-N 333.457 2.441 0 1 EEAF Cc1nn(CCCC(=O)NC2CC2)c(=O)c2cc3sccc3n12 5109159 SFOLQQQGRZIDRJ-UHFFFAOYSA-N 330.413 2.078 0 1 EEAF CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)CC/C=C/Cc2ccccc21 169294037 LBRGXKIEUSFACK-UCAFPWNGSA-N 330.380 2.463 0 1 EEAF CC(=O)c1ccc(OCCCN2CCN([C@H]3CCCO3)CC2)cc1 1857594139 UWBKCAYOFMYVDE-LJQANCHMSA-N 332.444 2.412 0 1 EEAF COc1cc(S(N)(=O)=O)ccc1-c1noc(-c2ccccc2)n1 1857616518 SGHGFZFSHPTXEN-UHFFFAOYSA-N 331.353 2.060 0 1 EEAF O=C(c1ccc(F)c(O)c1)c1ccc2ccc(-c3nn[nH]n3)cc2n1 1857628814 BIVHWMJEPKUXFV-UHFFFAOYSA-N 335.298 2.491 0 1 EEAF C[C@]1(C(=O)N[C@H](CO)Cc2ccccc2)CON=C1c1ccccc1 234305 JIFLODGGPQCBGP-PXNSSMCTSA-N 338.407 2.147 0 1 EEAF C[C@@H](OC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)C(=O)Nc1ccc(C(N)=O)cc1 102373507 INPXQEUQQYHOKP-QHSBEEBCSA-N 344.411 2.482 0 1 EEAF C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@@H]1C[C@H]3C[C@@]12CC[C@]3(O)CO 136975825 NOFOAYPPHIUXJR-VIGUEYCZSA-N 338.488 2.086 0 1 EEAF in-vivo COC(=O)C1=C[C@@H]2C[C@H](OC(C)=O)[C@@H]3CCCN4CCC[C@@]23C4=C1 14583713 UFOZGBPERPDMNF-PASDCYSWSA-N 331.412 2.427 0 1 EEAF biogenic Cn1nc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)ccc1=O 82150107 CRMSINMAJOZLNY-UHFFFAOYSA-N 340.427 2.238 0 1 EEAF CN1CCN(c2nc(N)nc3c2cc(-c2ccc(F)cc2)n3C)CC1 95594720 AEGRTUFQJWZVMR-UHFFFAOYSA-N 340.406 2.108 0 1 EEAF CCOC(=O)C(C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400219 PDQORQLXZRIVCX-SFHVURJKSA-N 349.383 2.044 0 1 EEAF C[C@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)n1cc(Cl)cn1 587082316 OFHVEIXQNKUJLU-SSDOTTSWSA-N 326.765 2.269 0 1 EEAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587195458 KMWPAYGUAKIVND-LLVKDONJSA-N 344.440 2.428 0 1 EEAF COc1ccc2c(c1OC)[C@]1(CCN(C)C[C@@H]1CCO)N(C)[C@@H](C)C2 962641638 SYSJAVWRLFBTHW-DKICVRJWSA-N 348.487 2.110 0 1 EEAF CCC(=O)C[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963528003 ROOXWMNNADLJCC-XHDPSFHLSA-N 345.317 2.426 0 1 EEAF COc1ccc(S(=O)(=O)NC(=O)NCc2ccccc2)c(C)c1 169322850 QFHJASGNRMHFAB-UHFFFAOYSA-N 334.397 2.192 0 1 EEAF O=C(N[C@H]1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1)c1ccco1 3841235 VMUPECMTNJKKBP-JSGCOSHPSA-N 339.351 2.009 0 1 EEAF biogenic CCN(Cc1ccccc1)S(=O)(=O)CCNC(=O)c1ccccc1 4940859 AKAZRODBJFFDMM-UHFFFAOYSA-N 346.452 2.268 0 3 EEAF CC1(C)CCC[C@@]2(C)[C@H]3C(=CC4=C(CO)C(=O)O[C@]4(O)[C@@H]3O)CC[C@H]12 1857751328 YEKPSPBQVRVXCO-YMBUTIGBSA-N 348.439 2.064 0 1 EEAF COc1ccc(CCNC(=O)NC(=O)c2ccc(C(=O)O)cc2)cc1 1857770148 SDOLVCRRNBUYCR-UHFFFAOYSA-N 342.351 2.076 0 1 EEAF O=C(N[C@@H]1CCCNC1)c1ccnc2nc(-c3cccs3)[nH]c12 68249333 RAHPJVAIVZVNAI-SNVBAGLBSA-N 327.413 2.168 0 1 EEAF Cc1nc(C)n(-c2cc(C)c3[nH]c(=O)ccc3c2)c1S(C)(=O)=O 29322501 RYEHGOCCSMMGBW-UHFFFAOYSA-N 331.397 2.043 0 1 EEAF NCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N 27869761 JSOPBIMDVBQEPB-UHFFFAOYSA-N 349.373 2.117 0 1 EEAF O=c1ccc2cc(OC[C@H](O)CNCc3cccs3)ccc2[nH]1 27180395 MYOOPVVBPQSODW-CYBMUJFWSA-N 330.409 2.119 0 1 EEAF [O-][n+]1nc2c(Br)cnn2c2ccc(C(F)(F)F)cc21 64448840 KABPWVCTJKRHKI-UHFFFAOYSA-N 333.067 2.297 0 1 EEAF Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CC(=O)NC(C)C 34145512 MUSYFIXGYAZYBU-UHFFFAOYSA-N 338.411 2.329 0 1 EEAF O=C1C[C@H](OCc2cc(-c3ccc(Cl)o3)no2)[C@H]2CO[C@@H]1O2 1911576032 CVTFESRZVZMTCP-OUCADQQQSA-N 325.704 2.188 0 1 EEAF COc1ccc([C@H]2Oc3cc(OC)c(O)c(OC)c3C(=O)[C@@H]2O)cc1 40395452 HQEILWYNLWGUCL-DLBZAZTESA-N 346.335 2.095 0 1 EEAF CC1(C)NC(N)=NC(=N)N1OCCCc1cccc(C(F)(F)F)c1 45191536 WQBAVXUAAYMPQX-UHFFFAOYSA-N 343.353 2.460 0 1 EEAF CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(N)n2CCC(N)=O 40860792 VIZZIFTYDVKPCM-UHFFFAOYSA-N 343.431 2.037 0 1 EEAF CNc1nc(Nc2cn(CCOC)nc2C)ncc1C(F)(F)F 95581527 UYRIPPKFZHHKOO-UHFFFAOYSA-N 330.314 2.432 0 1 EEAF CN(CCc1ccccn1)C(=O)c1cnn(-c2ccccc2F)c1N 299852050 MPOGEVDUWFKEAV-UHFFFAOYSA-N 339.374 2.303 0 1 EEAF CCCc1c(O)ccc2c1O[C@](C(=O)O)([C@H](C)/C=C/C(=O)O)CC2=O 587492789 YPBOSVGCELNGAW-MSUBCOBJSA-N 348.351 2.410 0 1 EEAF Nc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587574717 GUKFEXAEGJZZJD-PBHICJAKSA-N 335.319 2.467 0 1 EEAF Cc1ccc(-c2noc(Cc3ccc4c(O)nc(O)nc4n3)n2)cc1 587554203 GCWHPRVNAUQIMA-UHFFFAOYSA-N 335.323 2.385 0 1 EEAF Nc1ncc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(O)n1 587253876 RVSVTKWKOJQABP-UHFFFAOYSA-N 346.219 2.357 0 1 EEAF CS(=O)(=O)c1ccc([C@@H]2SCC(=O)N2c2ccccn2)cc1 1772585228 NEOVJRGGEBVOKZ-HNNXBMFYSA-N 334.422 2.264 0 1 EEAF O=P(O)(O)[C@](Cl)(Br)[P@@](=O)(O)c1ccccc1 13651459 ATQAACRCZRPEJF-ZETCQYMHSA-N 349.441 2.005 0 1 EEAF OC[C@@]12CC[C@@](Cn3cnc4c(Cl)ncnc43)(O1)c1ccccc12 200478370 KPSCDIKKAAQQLM-DLBZAZTESA-N 342.786 2.387 0 1 EEAF CCOC(=O)CCn1cc(CSc2ccccc2C(=O)O)nn1 1857608579 UROOPBHVMGRKSQ-UHFFFAOYSA-N 335.385 2.222 0 1 EEAF O=S(=O)(c1ccccc1)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 1198949 FDYPBYQEBCFWLS-BBWFWOEESA-N 332.469 2.205 0 1 EEAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4049354 KGYBGXTUVDYEFB-ZOBUZTSGSA-N 328.368 2.259 0 1 EEAF C[C@@H]1CN(C(=O)CCC(=O)NCc2cccnc2)c2ccccc2O1 6780614 UJNOBSLKBMIOLE-CQSZACIVSA-N 339.395 2.292 0 3 EEAF CC(=O)O[C@@H]1C[C@H]2C=CC[C@H](O)[C@H](C)C(=O)Nc3cc(O)cc1c3O2 2356808037 YJSOUILKFKROBD-VWCIDIOQSA-N 347.367 2.043 0 1 EEAF NC(=O)c1ccc(N2CC[C@@H](c3ccccc3)[C@@H](N)C2)c2cncnc12 220686015 IKXJUVWMYQLUAV-YOEHRIQHSA-N 347.422 2.050 0 1 EEAF O=C1CCCN1c1cc(Cc2nnc(O)c3c2NCCC3)ccc1F 84689214 SMPASDOYQWYKNS-UHFFFAOYSA-N 342.374 2.397 0 1 EEAF C[C@H]1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]3O 238774717 CVQIEWZWXJRAQL-YHQQEPTBSA-N 336.472 2.147 0 1 EEAF Fc1cnc(N2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)nc1 299842389 OOFVLMMCLORDDU-GVDBMIGSSA-N 344.390 2.354 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)C2=O)N1 587771707 WVUBYFRKQJEXAE-CLAHSXSESA-N 327.197 2.180 0 1 EEAF O=C(/C=C\c1nc2ccc(-n3cnnn3)cc2[nH]1)Nc1ccccc1 587243105 AHZCQOJSFITKRC-HJWRWDBZSA-N 331.339 2.191 0 1 EEAF Cc1nc2[nH]c([C@@H](O)C3CCOCC3)nc2cc1Br 586912461 DFPUVJPLOXHJRT-NSHDSACASA-N 326.194 2.489 0 1 EEAF Cc1oc(=O)n(-c2ccc(F)cc2)c1-c1ccc(S(N)(=O)=O)cc1 13803971 XPBQEWXBKRTDQB-UHFFFAOYSA-N 348.355 2.192 0 1 EEAF CCN(C)[C@@H](C)CN1CCc2c(c(=O)oc3cc(OC)ccc23)C1 27741655 NHTANWAFUWLPQG-ZDUSSCGKSA-N 330.428 2.500 0 1 EEAF COCCNC(=O)[C@]1(C)CCCN(C(=O)c2cc(F)ccc2C)C1 61896781 WEXVQCJTAWVBQW-GOSISDBHSA-N 336.407 2.139 0 3 EEAF C[C@]12CC=C3NC(=O)C=C3[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 2356528872 LFQHFBNBQFFFGO-BISCUMPCSA-N 329.440 2.276 0 1 EEAF Cn1c(CO[C@H]2CN(C3CCOCC3)C[C@@H]2F)nc2ccccc21 2356670639 XHWZULODZRKBKX-YOEHRIQHSA-N 333.407 2.291 0 1 EEAF CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 1911574874 FXSFEYNNAVARKF-UHFFFAOYSA-N 346.408 2.461 0 1 EEAF C[C@@H]1[C@@H](O)CC[C@]2(C)[C@H]3CC/C(=C\C(=O)O)[C@H](C)[C@@H]3[C@@H](O)C(=O)[C@@H]12 40893986 YUOAAEKOGSLIOE-XIYXGMEGSA-N 336.428 2.017 0 1 EEAF CC(=C/CO)/C=C/[C@@H]1[C@](C)(O)[C@@H](O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]21C 85993079 RMAJUEUHZWCNQM-PQVJTYHWSA-N 338.488 2.416 0 1 EEAF in-man CN(C)C(=O)Oc1ccc(-c2cn3c(NC=O)cccc3[n+]2C)cc1 49036559 CRBCYWRXPNLTSR-UHFFFAOYSA-O 339.375 2.060 0 1 EEAF Cc1ccc(S(=O)(=O)N2C(=O)[C@@H]3Cc4ccccc4N3C2=O)cc1 87723003 RRCDZNSJBMKVKX-HNNXBMFYSA-N 342.376 2.077 0 1 EEAF CCC[C@@]1(O)CC(=O)c2c(Cc3cc(=O)cc(O)o3)cccc2O1 238788533 BAVQXBXBCIDJKT-SFHVURJKSA-N 330.336 2.390 0 1 EEAF CC(C)(C)OC(=O)NC1(c2nc3cnncc3[nH]2)CCC(=O)CC1 587234582 PWBFYLCCJOJNCN-UHFFFAOYSA-N 331.376 2.216 0 1 EEAF COC(=O)c1cnc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587452183 RCRQDVLNJKRXIL-OTYXRUKQSA-N 331.349 2.427 0 1 EEAF O=c1ccc2cc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)ccc2o1 586918295 OCPSQIFYRQHQNG-UHFFFAOYSA-N 330.307 2.312 0 1 EEAF COc1ccc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1OC 587926982 QNRUFYPOAISBSD-UHFFFAOYSA-N 348.380 2.418 0 1 EEAF COCCCn1nccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432485 PHNPYYGELDXRGO-FZKQIMNGSA-N 328.368 2.417 0 1 EEAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C(N)=O)c1c(C)nn(C)c1C 963244634 XDTUKXMKJCKWNY-XCLFUZPHSA-N 340.471 2.422 0 1 EEAF Cc1c(O)ccc2c1[C@]1(CCC3(C[C@@H]1C)OCCO3)N[C@H](C(=O)O)C2 963508730 MCWLUUYUIUKHNF-NXPJVHOHSA-N 347.411 2.058 0 1 EEAF CC(=O)N1CCN(Cc2ccc3c(c2)Nc2nccnc2S3)CC1 136649963 MPYIWUJLKKLHNM-UHFFFAOYSA-N 341.440 2.349 0 1 EEAF O=C(COC(=O)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1cccc(Cl)c1 13517063 MNBATSXGFCDNBK-QZVLQWBNSA-N 349.770 2.019 0 1 EEAF COCCCCn1c(=O)cc(Nc2ccc(C)c(C(C)=O)c2)[nH]c1=O 13522376 KHCVRPQPOCOGRG-UHFFFAOYSA-N 345.399 2.218 0 1 EEAF C=C[C@]12CN(C)CC[C@@H]1[C@](C(=O)OC)(c1cc3ccccc3[nH]1)CO2 14693439 DRYXIMTVLUTZDF-VDGAXYAQSA-N 340.423 2.485 0 1 EEAF biogenic COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)/C=C/[C@H](C)[C@H](C)OC2=O 169342587 NAWYJXUUEIIVTF-DNYUVXPWSA-N 348.395 2.277 0 1 EEAF NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2cccc(Cl)c2)c1 1857655295 IOOIXMLDMFUMAW-UHFFFAOYSA-N 341.776 2.337 0 1 EEAF COc1cc(C=CCO)ccc1C[C@@H](CO)[C@@H](O)c1ccc(O)cc1 2356355777 HCMFTRPSMOLYLT-PXNSSMCTSA-N 344.407 2.291 0 1 EEAF CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 3818816 PUHRPYOPXGWCTE-UHFFFAOYSA-N 331.422 2.368 0 1 EEAF in-vivo C[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)C1 8588780 FOIIEVDPTGHEAW-SECBINFHSA-N 344.820 2.092 0 1 EEAF O=C(c1ccco1)N1CCN(C(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 101920728 QMVGBTHMAMOUMG-MCIONIFRSA-N 333.457 2.101 0 1 EEAF COc1cccc2nc(C[C@H]3CN(C(C)=O)CC[C@@H]3CC(=O)O)[nH]c12 2356302725 RYXFYHZPXKKXAX-OLZOCXBDSA-N 345.399 2.073 0 1 EEAF Cc1nc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)ccc2n1C 103247878 XAJXMPKSOYVLDT-UHFFFAOYSA-N 326.404 2.181 0 1 EEAF Nc1cccc(C(=O)N2CC(=O)N3CCCc4ccccc4[C@H]3C2)c1 26170806 QGBITOJYBPRFKG-GOSISDBHSA-N 335.407 2.241 0 1 EEAF Cc1ncc(C)n2nc(CCc3nc(-c4cncs4)cn3C)nc12 117862235 RFJCCRNLTAAPCH-UHFFFAOYSA-N 339.428 2.383 0 1 EEAF O=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 29202876 JCZFJMCPHAQILF-UHFFFAOYSA-N 348.305 2.092 0 1 EEAF O=C(/C(O)=C/c1cc(CCc2ccccc2)ncn1)N1CCOCC1 28649581 CCQJSMBKJDDCDB-AQTBWJFISA-N 339.395 2.020 0 1 EEAF O=Cc1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1 61931040 ZUGWFQWXWFFXBR-UHFFFAOYSA-N 337.335 2.258 0 3 EEAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 299879131 KGYBGXTUVDYEFB-ZMSDIMECSA-N 328.368 2.259 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(C(=O)O)c2[nH]1 587229368 ANGISAKCBVQRPD-VXGBXAGGSA-N 345.399 2.298 0 1 EEAF NC(=O)c1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587227966 DYFIDPWWPJMMLW-UHFFFAOYSA-N 338.367 2.131 0 1 EEAF O=C(O)C[C@@H](O)Cc1nc2cc(Cl)cc(Br)c2[nH]1 586888556 IOASCAXWYXOPTG-LURJTMIESA-N 333.569 2.357 0 1 EEAF CN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587337027 BAKGVIOFGUCCHY-VQIMIIECSA-N 341.338 2.491 0 1 EEAF CCCCS(=O)(=O)N[C@H](c1nc2cncc(OC)c2[nH]1)C(C)C 586933704 WMNAAUGGWFPRSM-ZDUSSCGKSA-N 340.449 2.383 0 1 EEAF COc1cc(OC)c2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc2c1 587256041 ATCXSTCAJJXXBN-LLVKDONJSA-N 335.404 2.182 0 1 EEAF O=S1(=O)N=C(NC2CCC2)Nc2cc(NC3CCC3)c(F)cc21 13648672 NNIZMDJXTFOYOB-UHFFFAOYSA-N 338.408 2.402 0 1 EEAF CC(=O)OCn1c([S@@](=O)Cc2ccccn2)nc2ccccc21 13820736 DXEBEBRFBVATNJ-HSZRJFAPSA-N 329.381 2.260 0 1 EEAF COc1cccc([C@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@@H]32)c1OC 1857590457 PYSZPPLIRBHCRY-KBPBESRZSA-N 327.340 2.126 0 1 EEAF S=C(NN=c1[nH]c2ccccc2n2cnnc12)Nc1ccccc1 1857766964 IETKWQRRNZGKLE-UHFFFAOYSA-N 335.396 2.013 0 1 EEAF CCCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)CC1 4103954 MUINHKQMRZPMSK-DZKIICNBSA-N 344.521 2.379 0 1 EEAF O=C(CCC(=O)n1ncc2ccc(Cl)cc21)NC[C@@H]1CCCO1 6768432 HBXUKWOOVVVDRS-ZDUSSCGKSA-N 335.791 2.405 0 1 EEAF CN(CC(=O)O)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1 29410577 XOGMYASVWNUFQA-UHFFFAOYSA-N 332.303 2.189 0 1 EEAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1)C2 101505605 UPSHGSHERZLKSV-OSYLJGHBSA-N 345.443 2.158 0 1 EEAF COC[C@@H](C)N(Cc1ccccc1OC)C(=O)c1cc(C)[nH]c(=O)c1 55167170 IJDACSJFNZINSN-CQSZACIVSA-N 344.411 2.369 0 1 EEAF CCCOc1c2c(cc3oc(CO)cc(=O)c13)O[C@@H](C(C)(C)O)C2 2356308427 RGRRLDIAVKCXKF-OAHLLOKOSA-N 334.368 2.149 0 1 EEAF CC(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)C=Cc3ccccc3)C[C@H]1N2C 2356681337 QKTXQEDBXGTOFH-XMTFNYHQSA-N 329.396 2.410 0 1 EEAF CC(C)=C(C)CC[C@](O)([C@H](C)O)[C@@H]1Cc2cc(C(N)=O)ccc2N1 2356699312 NFTNPFPXZQJRAZ-IXDGSTSKSA-N 332.444 2.371 0 1 EEAF COc1cc([C@H](OC)[C@H](C)OC(C)=O)cc(OC)c1OC(C)=O 14638092 VRSKRDHLNTZRBI-BJOHPYRUSA-N 326.345 2.268 0 1 EEAF biogenic O=C1C(=O)N2CCc3ccccc3[C@H]2CN1C(=O)C1CCCCC1 73219087 IJZSZOHGAWSVMS-MRXNPFEDSA-N 326.396 2.062 0 1 EEAF COc1ccc(NC(=S)N2CCO[C@@H](C3=CCCN(C)C3)C2)cc1 40879921 FRVVRIWPLGATRV-QGZVFWFLSA-N 347.484 2.355 0 1 EEAF COc1cc(OC)c([C@@H]2COc3cc(O)cc(O)c3C2=O)cc1O 49067503 VZMVGODKAYIVEU-JTQLQIEISA-N 332.308 2.180 0 1 EEAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N1CCOCC1 40979356 OMPYMTGVUYFNCS-UHFFFAOYSA-N 331.397 2.378 0 1 EEAF CC(=O)Oc1ccc(/C=C/c2cc(O)cc(=O)o2)cc1OC(C)=O 238759491 CBBOGUSFOYSFMI-HWKANZROSA-N 330.292 2.366 0 1 EEAF CC(C)(C)NC(=O)C1=Cc2cc(Br)ccc2S1(=O)=O 473154702 KNUGULBHYXPFFI-UHFFFAOYSA-N 344.230 2.492 0 1 EEAF Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](Cn2ccnc2)C1 653861878 WIQFIIBVRAURMC-CQSZACIVSA-N 337.420 2.432 0 1 EEAF CNc1nc(SC)ncc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453838 UMHCAJHARSZPOB-BMIGLBTASA-N 343.408 2.738 0 1 EEAF CCc1cc2c(O)nc(O)nc2nc1-c1cc2c(cc1N)OCCO2 587554634 MAEDIOSCRSYUOY-UHFFFAOYSA-N 340.339 2.019 0 1 EEAF Oc1nc(S)nc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 587040355 HHLVFDAJLQUQIJ-UWVGGRQHSA-N 345.453 2.294 0 1 EEAF COc1ccc(C2=NN=C/C2=C\NNC(=S)NC(C)(C)C)cc1 12338711 ZWHBRNWNSDSYJO-ZRDIBKRKSA-N 331.445 2.135 0 1 EEAF CCOc1ccc2c(c1)OC(N)=C1C(=O)N(CC(C)C)C(=O)C[C@H]12 1857640510 FOLCNWNQGCEQOM-ZDUSSCGKSA-N 330.384 2.147 0 1 EEAF OC[C@@H](NCCc1ccc(O)cc1)c1ccc(O)c2nc(O)ccc12 1857654553 NDRIGQZTNSODTO-MRXNPFEDSA-N 340.379 2.217 0 1 EEAF COc1ccc([C@@H](CCO)N2C(=O)c3ccccc3C2=O)cc1OC 6993 NTWLARBDJFXJNZ-OAHLLOKOSA-N 341.363 2.424 0 1 EEAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(C(C)(C)C)n1 2356291264 PDCBYDDYZVINDH-HZMVEIRTSA-N 349.519 2.310 0 1 EEAF O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(C3CCCC3)nc12 68206289 DMMFTUBCYQBWJG-LBPRGKRZSA-N 328.416 2.408 0 1 EEAF COc1cccc(CN2C[C@H]3C[C@H]2C(=O)Nc2ccccc2O3)n1 2356291333 QVGZQYWEHIFVLS-HIFRSBDPSA-N 325.368 2.064 0 1 EEAF COC(=O)/C=C/c1cccc(-c2cc(=O)cc(N3CCOCC3)o2)c1 101077143 MROMPAMABKXBMM-AATRIKPKSA-N 341.363 2.330 0 1 EEAF CCOC(=O)[C@@H]1C(=O)[C@@H](C(C)=O)C(=O)C[C@@H]1C[C@@H](C)SCC 101838652 RTYSMJMWAJSKON-OJDJGZDQSA-N 328.430 2.061 0 1 EEAF CNC(=O)[C@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)NC(C)C 2356301834 GGQYUNMZVMKXLJ-GJZGRUSLSA-N 337.851 2.116 0 1 EEAF COC(=O)c1cc2c(s1)[C@@H](N1CCCCC1=O)[C@H](O)C(C)(C)O2 27440498 VWSUMPNIFSVNNX-OCCSQVGLSA-N 339.413 2.120 0 1 EEAF Cc1cccc(C)c1NC(=O)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 61926891 GBTWKENCTCURSO-BFHYXJOUSA-N 348.424 2.195 0 3 EEAF COc1ccc(-c2cnc(N)c(N3CCC(C(=O)O)CC3)n2)cc1 64448089 IXLREPJHNNTDIX-UHFFFAOYSA-N 328.372 2.035 0 1 EEAF O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@@H](O)C[C@H](c2ccco2)N1C3 2356522305 CMYSMCWWICFNSV-SJRVDFGRSA-N 330.428 2.177 0 1 EEAF C[C@H](Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)C(=O)O 29334946 ATWGLBCWINXQKL-LBPRGKRZSA-N 339.347 2.377 0 1 EEAF CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)cn2)CC1 71281374 QARLWQQWNLVURD-UHFFFAOYSA-N 330.476 2.234 0 1 EEAF COc1ccc(CC(=O)C(=O)NCCSC)cc1Br 39635946 IXJBPASLVGGINT-UHFFFAOYSA-N 346.246 2.049 0 1 EEAF O=C1[C@@]2(CO2)[C@H]2C[C@@H](c3ccccc3)[C@]1(CO)C=C2Br 40822873 NUHDVHTZWKNFRO-YXAMBPQSSA-N 335.197 2.399 0 1 EEAF Cc1c[nH]c2ncc(-c3cc([C@@H]4CCN(C5COC5)C4)n(C)n3)cc12 146506985 FOZFYQHMGZKBDS-CYBMUJFWSA-N 337.427 2.460 0 1 EEAF O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(CO)cc1 144293387 SNBKHQKOJMMUPT-PKENTYADSA-N 332.396 2.414 0 1 EEAF COc1ccc(N2C=C(c3ccccc3)[C@H]3C(NN)=NC=N[C@@H]32)cc1 98082676 DQOHQIHEAVWGFL-PKOBYXMFSA-N 333.395 2.402 0 1 EEAF Cc1ccc2c(S(=O)(=O)N(C)C)cc(Br)c(O)c2n1 299839722 STOYBHUGNFBHFQ-UHFFFAOYSA-N 345.218 2.262 0 1 EEAF O=C1NC(=S)NC(=O)C1C=C1c2ccccc2Cc2ccccc21 299840743 ZIEBLKLRVRXIQC-UHFFFAOYSA-N 334.400 2.170 0 1 EEAF O=C(Nc1ccsc1C(=O)O)N[C@@H](Cc1ccccc1)C(=O)O 299868070 ZHZVVWVRNJTJSO-NSHDSACASA-N 334.353 2.264 0 1 EEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1COC1COC1 587614988 FBLHIMYXPHTVOH-CVEARBPZSA-N 328.320 2.138 0 1 EEAF Cc1ccc(C)c2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc12 586928851 LUWBTQZVQPSAIB-UHFFFAOYSA-N 330.413 2.395 0 1 EEAF Oc1nncc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587006535 FVCZLKDILYHQEN-UHFFFAOYSA-N 331.133 2.364 0 1 EEAF CN1C=CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O 587597378 USMVEPDHNIJPGX-DNVCBOLYSA-N 337.331 2.468 0 1 EEAF O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CC1 587572726 QJAISIFREINZNL-JKSUJKDBSA-N 339.347 2.249 0 1 EEAF NC[C@]1(c2ccccc2Cl)N[C@H](C(=O)O)Cc2cccc(F)c21 962892962 FRYCDYDBAHQRHP-WMLDXEAASA-N 334.778 2.280 0 1 EEAF NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Sc1ccccc1 1857592795 MMYYEXLBLFTMSA-UHFFFAOYSA-N 342.829 2.238 0 1 EEAF Cc1cccc(CN2C[C@@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)n1 2356302531 XUZSZPBMXOGATR-GDBMZVCRSA-N 341.390 2.400 0 1 EEAF CC1(C)NC(=O)N(C[C@H](O)COc2ccccc2C2CCCC2)C1=O 66074845 BCNKEBQQBXYCHE-AWEZNQCLSA-N 346.427 2.414 0 1 EEAF CN(C)CCCNCc1ccc2c(n1)N(C)c1cccnc1N2C 28109267 FTYKZRJBJIYNPL-UHFFFAOYSA-N 326.448 2.367 0 1 EEAF O=C(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCOCC1 142884691 CFKSFKXROKZYDV-UHFFFAOYSA-N 341.289 2.157 0 1 EEAF O=C(c1ccoc1)N1CC[C@H]2O[C@@H](COCCN3CCCC3)CC[C@H]21 299843327 QTQNNIHYBUCMJK-KZNAEPCWSA-N 348.443 2.154 0 1 EEAF CC(=O)OCc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923929 SJUGTSRZEWAKBN-UHFFFAOYSA-N 340.426 2.269 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN(C)CCO)N1 587738944 DOFBDHSYTCKXRF-BMIGLBTASA-N 345.256 2.262 0 1 EEAF COc1ccc2c3c1O[C@H]1C=C([C@H](C)O)C[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169364844 QWIOCLNAHOMHPC-DMPROBHTSA-N 327.424 2.281 0 1 EEAF O[C@H]1C[C@@H](O)[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]1OCc1ccccc1 169373242 MORPIEPGKNRPKN-TZNCUMHOSA-N 334.412 2.142 0 1 EEAF CCC[C@@H]1CC2=C(OCC=N2)[C@]2(NC(=O)CC(=O)O)C=CCC[C@@H]12 169692893 BSBXGNLUQCQTGK-VBHSOAQHSA-N 332.400 2.415 0 1 EEAF COc1ccc(N2C(=O)C(=O)C3(CCCCC3)C2=O)c(OC)c1OC 1639046 YUEVBOGLUBDFFN-UHFFFAOYSA-N 347.367 2.105 0 1 EEAF c1nc(N2CCNCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 4267205 WVUITNJNSZRMPM-UHFFFAOYSA-N 334.379 2.435 0 1 EEAF C[C@@H]1CN[C@@]2(C[C@@H]3O[C@@]4(CC(=O)O)C[C@H](C)C[C@@H](O4)[C@@H]3O2)[C@H](C)C1 102155639 CTZZZEJDSUDEMJ-WHBTVMNGSA-N 339.432 2.122 0 1 EEAF CC(=O)N1CCC(NC[C@@H]2COCc3nc4ccc(C)cc4n32)CC1 2356298923 KJVTXQGYZMLQIJ-MRXNPFEDSA-N 342.443 2.017 0 1 EEAF O=C1[C@H]2C=C(Br)[C@H](C[C@@H]2OCCCCCCO)[C@]12CO2 58538563 VHTXGBQCZVQBHU-TZQJONAQSA-N 345.233 2.191 0 1 EEAF CCCCCS(=O)(=O)NC[C@H]1Cc2ccc(CC(=O)O)cc2C1 27329339 AAXFWSSVYINXCB-AWEZNQCLSA-N 339.457 2.138 0 1 EEAF O=C1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 100790181 XNXORWDKIQPSNX-FOEVPDMQSA-N 325.408 2.411 0 1 EEAF Cc1ncc(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)c(C2CC2)n1 101550418 NDLBUZLXSKJVNF-GWGXAIORSA-N 327.428 2.332 0 1 EEAF CC1=C[C@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@](C)(O)C=C2[C@@H]1O)C3(C)C 2356420219 SMGFYRJTHUJGEK-ARVLDHNOSA-N 334.456 2.377 0 1 EEAF COc1cc(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc(OC)c1OC 103227327 DJIVYOZJUUNZBB-BTTYYORXSA-N 335.400 2.494 0 1 EEAF C=C1CCC=C(C)[C@@]2(O)[C@@H]1[C@H]1OC(=O)[C@@H](C)[C@H]1[C@H]2OC(=O)C(C)C 13335407 DAVDCPBTHVRYEI-PWMPHFEQSA-N 334.412 2.389 0 1 EEAF biogenic O=C1CC[C@H](C(=O)Nc2nc3ccccc3n2C2CCCCC2)NN1 212062414 HYEABGHRULSAOX-CQSZACIVSA-N 341.415 2.263 0 1 EEAF C[C@@H](Cc1nc2c(N)ncnc2n1CCc1ccccc1)[P@@H](=O)O 40829489 OLGNXXZFJVJGNG-NSHDSACASA-N 345.343 2.049 0 1 EEAF Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](OCC=C=O)C3 85643203 BWTICQLOBUGUTK-HNNXBMFYSA-N 330.336 2.294 0 1 EEAF biogenic,in-vitro COC(=O)C[C@H]1c2ccccc2N=C(N2CCN(C)CC2)N1C(C)C 49872001 HLWRNIUKLMCYMD-KRWDZBQOSA-N 344.459 2.250 0 1 EEAF CCCCOCCOC(=O)CN(C)C(=O)c1csc(CC)n1 82074061 ZYNZVNFPMUDUPJ-UHFFFAOYSA-N 328.434 2.137 0 1 EEAF NC(=O)c1ccc(NC(=O)[C@@H]2NC[C@@H]2c2ccccc2)c2cccnc12 143810582 CQMKNGNQJLHKPG-CRAIPNDOSA-N 346.390 2.028 0 1 EEAF C[C@@]1(C(=O)CO)C=C2CC[C@H]3[C@@](C)(C[C@H](O)C[C@@]3(C)CO)[C@@H]2CC1 95914153 LODMADPUDAMZJC-LFMXGZDGSA-N 336.472 2.460 0 1 EEAF biogenic,in-vitro COc1cc(C[C@@H](CO)c2cc(C(=O)O)cc(OC)c2O)ccc1O 473247943 KAUCEKKFWOJGPB-LBPRGKRZSA-N 348.351 2.132 0 1 EEAF Cc1cc(Cc2nc3c(O)nc(N)nc3[nH]2)ccc1Br 586975747 FOTJQLWVZPFTDR-UHFFFAOYSA-N 334.177 2.302 0 1 EEAF COC(=O)c1cc2[nH]c([C@H](O)c3cccc(O)c3)nc2cc1OC 586888905 DHPACSCEWHBWQD-OAHLLOKOSA-N 328.324 2.145 0 1 EEAF N[C@H](Cc1cccc(Br)c1)c1nc2c(O)ncnc2[nH]1 586984945 WNPKLLVHPADKIL-SECBINFHSA-N 334.177 2.064 0 1 EEAF Cc1cc2c(cc1O)[C@](C)(CC(=O)c1cccnc1)N[C@H](C(=O)O)C2 963472304 PWJACAJUMUZYKW-KXBFYZLASA-N 340.379 2.183 0 1 EEAF Nc1nc(Cl)c2cc(C(=O)O)n(Cc3ccc4c(c3)OCO4)c2n1 1772572066 NLLIRVPVXSXWKU-UHFFFAOYSA-N 346.730 2.142 0 1 EEAF COc1cc2c(cc1OC)[C@H]1Oc3cc4c(cc3[C@]1(O)CO2)OCO4 14648508 OPUNZSMLSXSMJN-QZTJIDSGSA-N 344.319 2.146 0 1 EEAF endogenous,in-man CC(C)=CCOc1ccc(CCNC(=O)C=CS(C)(=O)=O)cc1 2356478764 QRQGRICUEXEWHL-UHFFFAOYSA-N 337.441 2.249 0 1 EEAF CC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 2356289328 TXLUNYBUGYKCEL-BJLQDIEVSA-N 344.455 2.406 0 1 EEAF Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccccc2)no1 114079440 AXZFTDBLZQVAAF-UHFFFAOYSA-N 337.383 2.184 0 1 EEAF CC1(C)[C@@H]2C(=COc3ccccc32)[C@@H]2C(=O)C[C@@]3(O)C[C@@H]1[C@H]2[C@@H]3O 2356706349 CKEZIBBDMDFHQQ-DCUFBBGASA-N 326.392 2.403 0 1 EEAF O=Cc1c2c(c(C(=O)O)c3c1=c1ccccc1=N3)=c1ccccc1=N2 2356873569 ZFVFYHLMGJBYNI-UHFFFAOYSA-N 326.311 2.301 0 1 EEAF COc1cc(Cc2nc3ccccc3c3nc(N)nn23)cc(OC)c1 98208551 OOUWYRBLMZEUGI-UHFFFAOYSA-N 335.367 2.468 0 1 EEAF in-vitro Cc1ncc(C)n2nc(CCc3c[nH]c(-c4cscn4)n3)nc12 148086160 CBPKHXUCPVUYKR-UHFFFAOYSA-N 325.401 2.373 0 1 EEAF CN1CCCCN2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO 95875504 IONGPUPOKVRUOO-OWCLPIDISA-N 339.277 2.303 0 1 EEAF CCCn1c(=O)n(CC)c2cc(C(=O)c3c(C)nn(C)c3O)ccc21 299870284 WAYTXTJHGKWJLS-UHFFFAOYSA-N 342.399 2.211 0 1 EEAF CCc1cc(O)nc(SCc2nc3ccc(CCO)cc3[nH]2)n1 586966572 JCWBVPMXGSQVQA-UHFFFAOYSA-N 330.413 2.448 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1ccc(=O)n4C)[C@@H](C2)C3=O 587435769 JYBMHKHANBUOPP-VBKZILBWSA-N 337.375 2.373 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNC(=O)C2)N1 587794990 MXPXFHLFAIWLLT-RMLUDKJBSA-N 327.197 2.228 0 1 EEAF COc1cc2oc(C)cc(=O)c2c(O)c1C[C@H](C)C(=O)C[C@H](C)O 2356417676 IIUMSUVLRUBHEB-UWVGGRQHSA-N 334.368 2.334 0 1 EEAF CC[C@H](C)[C@H]1Nc2ccc(C(=O)N3CCN(CC)CC3)cc2NC1=O 6785509 YUJBFLSOFYWDPT-SUMWQHHRSA-N 344.459 2.243 0 1 EEAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OC)c(O)c1 103542987 MFFWOASMNCHNPM-RHIYTYFCSA-N 330.344 2.494 0 1 EEAF Cc1nn(CCO)cc1-c1nc2c[nH]n([C@H](C)c3ccccc3)c-2n1 103586451 YRWOUBMAPAMOHL-CYBMUJFWSA-N 336.399 2.485 0 1 EEAF CCn1c(=O)n(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C)c2ccccc21 100932748 UEYRRMVOMQCUML-HUUCEWRRSA-N 342.443 2.396 0 1 EEAF CCCCNC(=O)[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1 29220923 SBLYEWUCOYPKCW-MRXNPFEDSA-N 338.473 2.287 0 1 EEAF CC=C(C)C(=O)OC[C@](C)(O)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 2356643144 IVIDHJTYZDMSNL-KXBFYZLASA-N 344.363 2.357 0 1 EEAF C[C@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1 26006908 WYZBSOZDBDRPSQ-ZWKOTPCHSA-N 345.349 2.352 0 1 EEAF CN(Cc1ccncc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 32303491 ADQURYJQECURIE-HNNXBMFYSA-N 329.787 2.499 0 3 EEAF CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 82196312 PBNVAZYWFGAULW-UHFFFAOYSA-N 340.383 2.206 0 1 EEAF CCOC(=O)C[C@H]1SC2=NCCN2[C@]1(O)c1ccc(Cl)cc1 142119768 UATOCMSSFNXZCI-DOMZBBRYSA-N 340.832 2.225 0 1 EEAF C=CS(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1 618017138 GFNHKUMZZILXHG-UHFFFAOYSA-N 345.262 2.040 0 1 EEAF Cc1csc2ncc(-c3ccnc(NC4CCOCC4)n3)c(=O)n12 299849820 AVZBBTTUTMSDMA-UHFFFAOYSA-N 343.412 2.112 0 1 EEAF Cc1ccoc1C(=O)Nc1cnc(N2C(=O)c3ccccc3C2=O)nc1 473170862 SDLBBDLMTIDCII-UHFFFAOYSA-N 348.318 2.431 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CCN(C)C[C@@H]1CCO)CC2=O 587482081 ZAOHPOPPUWRUJR-ORAYPTAESA-N 333.428 2.383 0 1 EEAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(N)ccnc2[nH]1 587194396 RKLIJJZWPWEPLP-LLVKDONJSA-N 334.424 2.058 0 1 EEAF CCNC(=O)CCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587231112 RTBKIXXQROYHTO-UHFFFAOYSA-N 340.177 2.092 0 1 EEAF CN1C(=O)C[C@@H]2CN[C@H](c3cccn(C(F)F)c3=O)c3cccc1c32 963037839 WFKHLKXLVCKXFP-HWPZZCPQSA-N 345.349 2.386 0 1 EEAF COc1ccc(Br)c([C@H]2c3nn(C)cc3CCN2C)n1 963953880 DUYHTQYRYDWBJH-CQSZACIVSA-N 337.221 2.164 0 1 EEAF CN1C(=O)C[C@@H]2CN[C@]3(CCc4cc(CN)ccc43)c3cccc1c32 963034092 XJASAEFGHGATNM-VFNWGFHPSA-N 333.435 2.388 0 1 EEAF O=C(O)C(=O)CC(=O)c1cccc(OCc2ccsc2C(=O)O)c1 13674067 DMBIECCYXZBUJW-UHFFFAOYSA-N 348.332 2.252 0 1 EEAF NC(=O)c1cc2ccc(CO)cc2n1-c1cccc(CCC(=O)O)c1 1857748569 MXZFMIALYXWQIP-UHFFFAOYSA-N 338.363 2.239 0 1 EEAF O=C(O)C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1 13195573 DAJJXHRMJCRACT-AWEZNQCLSA-N 341.335 2.459 0 1 EEAF C[C@H]1C[C@H]2OC(=O)[C@H]3C[C@@H](O)CC(=C32)[C@@]12C[C@@H](c1ccoc1)OC2=O 6481517 GEQWDBTYASTNAP-QSAVYILPSA-N 344.363 2.287 0 1 EEAF COc1cc2nc(N3CCOCC3)nc(NC3CC3)c2cc1OC 36382493 LVUJOLCEUFZVGG-UHFFFAOYSA-N 330.388 2.058 0 1 EEAF COCCN(C)C(=O)C[C@@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 74373812 KVWNJLLUSGYRSG-INIZCTEOSA-N 339.823 2.175 0 3 EEAF O=C1C[C@H]2C3=CCO[C@H]4CC(=O)n5c(c(c6ccccc65)CCN1C3)[C@H]42 95554053 FUVSQOKQZJCZKI-KNBMTAEXSA-N 348.402 2.499 0 1 EEAF O=c1cc(N2CCOCC2)nc(NCc2cccc3ccccc23)[nH]1 95577371 VNMOCXVCBXMWMT-UHFFFAOYSA-N 336.395 2.372 0 1 EEAF CC[C@H]1N[C@@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3C[C@@H]1[C@H]2CO3 238776351 LDBVYQSHIPCQPT-FTPKCYNOSA-N 328.412 2.008 0 1 EEAF 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CCN(CC)S(=O)(=O)c1ccc(NCCc2ccccn2)nc1 25539537 VKVHRFIOMCSXQG-UHFFFAOYSA-N 334.445 2.162 0 3 EEAF CCCCNC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](N)C(C)C 27741939 ZTVNDFOOMBMSCA-HZPDHXFCSA-N 325.497 2.341 0 1 EEAF C[C@H](CO)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4CO)[C@@]3(C)CC[C@]2(C)C=C1 2356649166 BVZWEPLMRFYTFZ-BONLNXOASA-N 332.440 2.314 0 1 EEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ncc[nH]4)ncc23)ccn1 219768677 FGCXZXYJFLRYEJ-UHFFFAOYSA-N 348.370 2.373 0 1 EEAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC(O)C1 144702879 XJESHOCWAIMANM-QGZVFWFLSA-N 349.308 2.282 0 1 EEAF COc1c(/C=C\C(=O)O)c2c(c3occc13)OC[C@@H](C(C)(C)O)O2 238761188 NRLOCZBKDMABGW-WYGGZMRJSA-N 334.324 2.450 0 1 EEAF C[C@]1(O)c2ccc3c(c2C(=O)c2occ(CCCO)c21)CCC3=O 473121846 HNKCLBPQEJAISV-IBGZPJMESA-N 326.348 2.134 0 1 EEAF Cc1cc(C)c2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc2c1 586929205 UBUOKQZAEDZFRJ-UHFFFAOYSA-N 330.413 2.395 0 1 EEAF Nc1cc(O)nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587661949 UUFMMKAWAJFHRH-UHFFFAOYSA-N 349.325 2.270 0 1 EEAF C[C@@H]1COC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617041 OHCDGGVFXFSSNZ-FWVNDXEPSA-N 326.304 2.286 0 1 EEAF O=C(O)c1ccc(O/C=C2\NNC(=S)N2c2ccccc2)cc1 957883983 BKKRMDWVVZXYOR-GXDHUFHOSA-N 327.365 2.462 0 1 EEAF CCCSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C 13493996 RZTHAJGTOALPFX-UHFFFAOYSA-N 329.389 2.355 0 1 EEAF Cc1cc(N2CCOCC2)nc2ccc(N3C(=O)CCC3=O)cc12 211826 VAYPXWIFLGEPDZ-UHFFFAOYSA-N 325.368 2.033 0 1 EEAF CCOC(=O)Cc1cc(=O)n2[nH]c(C)c(-c3ccc(OC)cc3)c2n1 100446975 VURCEZQPXWFXMX-UHFFFAOYSA-N 341.367 2.112 0 3 EEAF COc1ccc(S(=O)(=O)N(C)c2nc3ccccc3c(=O)o2)cc1 27894717 FXUISTFGWWDLAJ-UHFFFAOYSA-N 346.364 2.022 0 1 EEAF COc1cc(Cc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1 29253445 APTJXHNURWYTPL-UHFFFAOYSA-N 325.372 2.106 0 1 EEAF COc1c(C)cnc(C[S@](=O)c2nnc(-c3cccn3C)o2)c1C 26647886 KMIJQJLRKWRMAS-XMMPIXPASA-N 346.412 2.403 0 1 EEAF CN1C(=O)[C@@H]2C[C@@H]3c4ccccc4N[C@H]3N2C(=O)[C@@H]1Cc1ccccc1 2356599733 KHODBKYKNABWPA-BVBHFADKSA-N 347.418 2.206 0 1 EEAF 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Nc1n[nH]c2cc(NC(=O)NCc3ccccc3OC(F)F)ncc12 1772576009 HOSNVQWLXZXGOE-UHFFFAOYSA-N 348.313 2.463 0 1 EEAF CC(C)COc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 1857590908 DNKDWTGAWDZMHS-UHFFFAOYSA-N 338.371 2.344 0 1 EEAF COc1ccc(C=CC(=O)NC(=O)c2ccccc2O)cc1OC 1857621265 XPYHGIFKAQSVSZ-UHFFFAOYSA-N 327.336 2.379 0 1 EEAF COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C=Cc1ccc(O)cc1 2356419064 GHGQUMXNRYULMG-KRWDZBQOSA-N 341.363 2.012 0 1 EEAF Cc1nc([C@H]2CCCNC2)cc(N(Cc2nccn2C)C2CC2)n1 67714241 VZSRFGRCNPKEJS-AWEZNQCLSA-N 326.448 2.155 0 1 EEAF COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=CC1=CCN3C(=O)C2 2356599818 NGGHEXQRXXSCCU-KUHUBIRLSA-N 327.380 2.199 0 1 EEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1C[C@@H](O)C1=C[C@H]3C[C@@]12CC[C@]3(O)CO 2356639482 RUGLMNSDLLANNJ-FDVLLZDMSA-N 336.472 2.006 0 1 EEAF CC(=O)O[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 14728217 WJMRMTQQBTZCNV-IAGOWNOFSA-N 330.292 2.052 0 1 EEAF biogenic CCCOc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H]4[C@H](C2)N(C)CC[C@@]341 194940735 FSCQVYBJKCUYMM-ARBHJEQISA-N 327.424 2.281 0 1 EEAF CC(=O)NCCn1c(-c2ccoc2)nc2c(NCC(C)C)ncnc21 82177946 QUNOQRDJQDJNAO-UHFFFAOYSA-N 342.403 2.290 0 1 EEAF CC(C)CCN1CCC(CN2C(=O)C(=O)NC[C@@H]2CC(C)C)CC1 199369598 CGTVBTKDHXQKHM-KRWDZBQOSA-N 337.508 2.118 0 3 EEAF COC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1 587368107 BJIMFUHAEXQQDL-UHFFFAOYSA-N 345.742 2.472 0 1 EEAF CC1=C(c2ccc3nc(C[C@@H]4CCC(=O)[C@H]4C)[nH]c3c2)NNC(=O)C1 587961138 DIRZCPIHPIGZSF-RYUDHWBXSA-N 338.411 2.476 0 1 EEAF O=S(=O)(c1ccccc1)N1[C@H]2CC[C@@H]1CC(O)(c1cccnc1)C2 13116424 RIMXGVCDWOSAPD-BYICEURKSA-N 344.436 2.285 0 1 EEAF CN1[C@H]2CC[C@@H]1CC(OC(=O)c1cc(=O)n(C)c3ccccc13)C2 13731373 ZGUGXTYWGBQHSU-PBWFPOADSA-N 326.396 2.321 0 1 EEAF C[C@@H](C(=O)N1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 6803110 BYOKMOXKOJVIKJ-ZDUSSCGKSA-N 338.411 2.462 0 1 EEAF CC(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccc(C)cc3[nH]2)C1 2356302604 AVMPDAVBSGHIKH-KGLIPLIRSA-N 329.400 2.373 0 1 EEAF CCOC(=O)C[C@]12c3ccccc3C[C@@](O)(c3ccccc31)N2O 100649334 OPICCRRPMCDQMW-RBUKOAKNSA-N 325.364 2.289 0 1 EEAF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CC[C@@H](O)N1C 103217812 RCBHOYHHJJUMPD-CYBMUJFWSA-N 326.784 2.047 0 1 EEAF COc1cc2oc(=O)c3c(c2cc1OC)CCN(C[C@@H](C)N(C)C)C3 27743700 CYLYHIPMPKDNIG-GFCCVEGCSA-N 346.427 2.118 0 1 EEAF CN[C@@H]1CCc2cc(OC)c(O)c(OC)c2-c2ccc(O)c(=O)cc21 2356485650 OLTGXKFEPBOIDY-CYBMUJFWSA-N 343.379 2.349 0 1 EEAF CCCn1c(O[C@H]2CC[C@@H](O)C2)nc2nc(C3CCCC3)[nH]c2c1=O 117405584 PNEYYIGJYQFLFP-OLZOCXBDSA-N 346.431 2.479 0 1 EEAF CC[C@@H](C)C(=O)C(=O)N(C)[C@H](C(=O)NCCc1ccccc1)C(C)C 2356862031 UWDIQZJVMAKUPJ-WBVHZDCISA-N 346.471 2.444 0 1 EEAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC[C@H](C(N)=O)C4)c23)c1 224894717 FFFVFLJBIVJUEA-AWEZNQCLSA-N 346.394 2.198 0 1 EEAF COC(=O)C[C@@H]1[C@H]2CC[C@H]3[C@H]4C(=O)O[C@H]([C@H]4C(C)C)[C@@H](N1C)[C@]32C 85493085 IAIIJNHQMKXPHL-HYXRZFGTSA-N 335.444 2.092 0 1 EEAF biogenic,in-vitro c1ccc(Cc2nc3c(c(N4CCSCC4)n2)CCNCC3)cc1 96928127 XEVONHUWHKENAF-UHFFFAOYSA-N 340.496 2.309 0 1 EEAF O=C(O)CNC(=O)c1ccc(NC(=S)Nc2cccc(F)c2)cc1 96928650 APQYAVWITMRQJU-UHFFFAOYSA-N 347.371 2.449 0 1 EEAF O=C(O)C(=O)Cc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586990506 KYEIACTWVHWOSL-UHFFFAOYSA-N 333.299 2.348 0 1 EEAF C[C@H](Oc1ccc(F)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587168668 KRIQQLJIWJCUQH-VIFPVBQESA-N 335.360 2.489 0 1 EEAF Nc1nccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c12 587110929 GVMPFRRQQBIFRC-UHFFFAOYSA-N 335.289 2.489 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(C(N)=O)c1)O2 587388387 BQJZTWCIVLSOIQ-GOSISDBHSA-N 326.352 2.262 0 1 EEAF CC(C)[C@H](C)N=c1nc(-c2cccc(N)n2)[nH]c(=N[C@H](C)C(C)C)[nH]1 1857766236 AZFYXQQKGDXNAX-BETUJISGSA-N 343.479 2.272 0 1 EEAF O=C1CCCN2N=C(SCC(=O)NC3CCCCC3)SC2=N1 425838 AWMSHIWTVFZWER-UHFFFAOYSA-N 340.474 2.165 0 1 EEAF O=C1CO[C@@H]2CN(Cc3ccccc3F)C[C@@H]2N1Cc1ccccc1 2356286147 UZWCUEQWVAEBAD-RBUKOAKNSA-N 340.398 2.438 0 1 EEAF Nn1c(SCn2nnc3ccccc32)nnc1-c1cccs1 101034952 FMJNHKDLVLOCHO-UHFFFAOYSA-N 329.414 2.215 0 1 EEAF CCSc1nnc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)s1 101709947 ROCXLAJJRSSVTB-HXFLIBJXSA-N 325.415 2.112 0 1 EEAF CC1=C[C@H](O)[C@H](O)[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]2[C@H](O)C1 2356603816 LDJDRVCYABHRAX-FODLKZINSA-N 338.488 2.415 0 1 EEAF CC=C1C[C@H]2C[C@H]3N1CC[C@@]31C(=O)c3ccccc3N1[C@@H]2C(=O)OC 2356615002 RLYVFQYPWUGRNE-RGZWXSTOSA-N 338.407 2.371 0 1 EEAF O=C1Oc2ccccc2C(=O)[C@@H]1C[C@@H]1C(=O)Oc2ccccc2C1=O 6535856 HIZKPJUTKKJDGA-STQMWFEESA-N 336.299 2.213 0 1 EEAF biogenic,in-vitro CCn1c(=O)n([C@@H](c2ccccc2)[C@H](O)CNC)c2c(F)cccc21 34600056 AJLUMLBNDXXSIW-SJORKVTESA-N 343.402 2.132 0 1 EEAF C[C@@H](C(N)=O)N1CCOc2cc(OCc3ccccc3F)ccc2C1 1911583225 LATOVHLPFLETOV-ZDUSSCGKSA-N 344.386 2.473 0 1 EEAF Cc1ccc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)o1 95580198 DXMALUSHFXOICC-FUHWJXTLSA-N 325.412 2.418 0 1 EEAF COCCN1CC[C@@H](Cc2cncc(-c3ccc(C(=O)O)cc3)n2)C1 257344760 ZYOZZTFBMCYGCI-AWEZNQCLSA-N 341.411 2.353 0 1 EEAF CC1=C(c2ccc3nc(CC(C)(C)CC(=O)O)[nH]c3c2)NNC(=O)C1 587956330 XEZJPXLZZHKLOL-UHFFFAOYSA-N 342.399 2.362 0 1 EEAF CCS(=O)(=O)c1cccc(Cc2nc3ccnc(OC)c3[nH]2)c1 586922367 UCNKRBALIFRYJG-UHFFFAOYSA-N 331.397 2.351 0 1 EEAF CCCCS(=O)(=O)N[C@H](c1nc2cc(OC)ncc2[nH]1)C(C)C 586932221 CIAJANNJYWTBGQ-AWEZNQCLSA-N 340.449 2.383 0 1 EEAF O=C(NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1)c1ccncc1 12037116 PHUXYOQVXLRORH-INIZCTEOSA-N 332.363 2.272 0 1 EEAF CC(C)C[C@H](NC(=O)[C@H]1CCCN1C#N)C(=O)OCc1ccccc1 13838822 ABXDXHOBYQAKGN-DLBZAZTESA-N 343.427 2.206 0 1 EEAF COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)/C=C/[C@H](C)[C@@H](C)OC2=O 169341013 NAWYJXUUEIIVTF-FOEIBFRKSA-N 348.395 2.277 0 1 EEAF COC(=O)C[C@H]1CC(=O)N2[C@@H](Cc3c[nH]c4ccccc34)CO[C@@H]2C1 169593342 PCDKYCYXQIBMAW-XAYKYTGQSA-N 342.395 2.237 0 1 EEAF Cc1cc2c(cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C)OCC(=O)N2 6873782 UCEFRFRCAYGGMC-ZYHUDNBSSA-N 338.429 2.183 0 3 EEAF COc1ccccc1OCCCOc1nc2ncccc2c(=O)[nH]1 58583776 GEBWHYOFRBWESE-UHFFFAOYSA-N 327.340 2.175 0 1 EEAF COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(C)=O 59625454 AQQXVKQWGGPPHH-SFHVURJKSA-N 327.380 2.486 0 1 EEAF COc1ccc2nc(CO[C@@H]3CN(C4CCOCC4)C[C@H]3F)[nH]c2c1 2356300754 XLKXJJDLHZLGHR-RHSMWYFYSA-N 349.406 2.289 0 1 EEAF O=C(O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)O)[C@H]1c1ccc(O)cc1 103127427 LKRJTULSSBSRAS-SYMSYNOKSA-N 328.320 2.380 0 1 EEAF Cn1cc(CN2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)cn1 101366397 UXSVZYNPXQBZKE-ALXJQNPVSA-N 340.427 2.093 0 1 EEAF CC(=CC(=O)O)C=C(C)C[C@H](C)C=CCC[C@H](O)[C@@H](CO)C(=O)O 2356423659 AENCTEDXCKWQHS-WQVCFCJDSA-N 340.416 2.380 0 1 EEAF COc1cc2c(cc1O)[C@@H]1Cc3c(cncc3[C@@H](C)O)C(=O)N1CC2 13309750 DOJFCGWUFPORMP-HWPZZCPQSA-N 340.379 2.145 0 1 EEAF biogenic NC(=O)[C@H]1CCCN(C(=O)c2csc(Nc3ccccc3)n2)C1 37426687 MZFJRARNAJOEFX-NSHDSACASA-N 330.413 2.224 0 1 EEAF CCOC(=O)Cc1nc2nc(N(C)C3CCCCC3)ccc2[nH]c1=O 82231296 AVUKBSRRPSROKX-UHFFFAOYSA-N 344.415 2.193 0 1 EEAF CNc1nccc(N2CCC[C@H](C(=O)NCc3ccc(C)cc3)C2)n1 84586639 MNLMJJREZZQISR-INIZCTEOSA-N 339.443 2.360 0 1 EEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1c(F)cccc1F 195297250 IACFGXXXGCHYSI-RPVFDAQASA-N 346.333 2.101 0 1 EEAF CCOC(=O)/C(=C/N(C)C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587385941 GAWPJUBKHJDJBL-ADYSOMBNSA-N 332.400 2.310 0 1 EEAF O=C1C[C@@H](c2nc3ncc[nH]c-3n2)CN1Cc1ccc(F)cc1F 587151220 XJAPDHCMLAXTPW-SNVBAGLBSA-N 329.310 2.099 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3cnnn3)cc1)O2 587390254 GAJRSIVSMPFCHA-SFHVURJKSA-N 335.367 2.434 0 1 EEAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(S(=O)(=O)O)cc4[nH]1)(C3)C2 587968537 FFTRTAYARROUAM-FYBJUZMNSA-N 346.408 2.456 0 1 EEAF Cc1ccc([C@@H](C)CCN2CCC([C@]3(C)NC(=O)NC3=O)CC2)o1 11789162 FVKQIJFXYSHKLS-SGTLLEGYSA-N 333.432 2.392 0 1 EEAF CN(CCc1cn[nH]c1)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12718202 HJZLWYKBOPUGLW-KRWDZBQOSA-N 346.475 2.230 0 3 EEAF CCc1c(C)nc2nc(NCc3cccc(OC)c3OC)nn2c1O 15668996 XEGUIFWFHRZIOF-UHFFFAOYSA-N 343.387 2.330 0 1 EEAF Cn1c(=O)[nH]c(N2CCc3ccccc3C2)c(Cc2ccccc2)c1=O 1495121 SJIAOANGFUTJTM-UHFFFAOYSA-N 347.418 2.227 0 1 EEAF CC(C)NC[C@@H]1O[C@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@@H]1O 2356300356 UNPJORNWBZBAON-LNLFQRSKSA-N 346.427 2.496 0 1 EEAF Cc1ccccc1C(=O)c1cccn1CC(=O)NC[C@@H]1CCCO1 4437303 OJLFVHMIDPWDAD-HNNXBMFYSA-N 326.396 2.323 0 3 EEAF CC(=O)N1c2c(O)cccc2[C@]23CCN4CC[C@@H](C[C@H]12)C1=CCO[C@]143 2356338962 FPEWLKWWYJYGBX-KGUHOSCRSA-N 338.407 2.147 0 1 EEAF COCC(=O)N1CC[C@H](CC(=O)O)[C@H](CCN(C)c2ccccc2)C1 2356874966 ZXQUSLVUWKUZFI-HZPDHXFCSA-N 348.443 2.099 0 1 EEAF CCOC(=O)C[C@H](C)Nc1nc(N2C[C@@H](C)O[C@H](C)C2)ncc1C 82203623 NUGVJWFLHIMKTC-BFHYXJOUSA-N 336.436 2.152 0 1 EEAF c1cncc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2nccs2)c1 96200866 JBKXFKNXRKFYNR-SJORKVTESA-N 344.484 2.056 0 1 EEAF O=S1(=O)c2cccnc2O[C@H](Cc2ccccc2)CN1CC1CC1 299851987 LSGMNZZUOFUPPX-MRXNPFEDSA-N 344.436 2.486 0 1 EEAF CSc1ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2c1 586923777 VJYIKQCFMJBQEQ-UHFFFAOYSA-N 336.442 2.133 0 1 EEAF CC(C)(CO)[C@@H](O)c1nc2c(Cl)c(Br)cnc2[nH]1 586904529 UZIJGFZGKMBVRB-QMMMGPOBSA-N 334.601 2.426 0 1 EEAF CN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587337025 BAKGVIOFGUCCHY-QFBILLFUSA-N 341.338 2.491 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nonc2N)N1 587743816 FLRYPDFDXJMPLJ-DAZKTRTLSA-N 341.184 2.351 0 1 EEAF CN(C)c1cccc2c(S(=O)(=O)Nc3cnccn3)cccc12 13761364 NRLWXFWPCBEKRI-UHFFFAOYSA-N 328.397 2.497 0 1 EEAF COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCCN4CCC[C@H](O2)[C@H]4[C@@H]3[C@H]1C 156173720 LXAQGNNSRKLTLE-SVCDKVDASA-N 347.411 2.311 0 1 EEAF CC1CCN(C2CCN(S(=O)(=O)c3cccc(N)c3)CC2)CC1 1857542727 BITJPYBNZJGFKT-UHFFFAOYSA-N 337.489 2.154 0 1 EEAF CCOc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)ccn1 117726389 WBRDEYVGYUYWCT-INIZCTEOSA-N 327.384 2.394 0 1 EEAF CCCc1nnc(SCC(=O)N2CCCCC2)n1CCCOC 4878089 OOAOQUJCGQQXGT-UHFFFAOYSA-N 340.493 2.372 0 3 EEAF O=C1C=C2C(=CCO[C@@H]2OC(=O)c2cccc(Br)c2)O1 28112240 ATJCYQYBPLMJQS-CQSZACIVSA-N 337.125 2.329 0 1 EEAF CC1=CC2=c3ccccc3=N[C@H](c3cn(-c4ccccc4)nc3C)N2N1 104008932 GGAJKKKDGSLKCG-NRFANRHFSA-N 341.418 2.345 0 3 EEAF CN(C)Cc1cn(C[C@@H]2CCCN(c3nccc4occc34)C2)nn1 23580901 MYHCBUAKFXPJBO-CQSZACIVSA-N 340.431 2.398 0 1 EEAF O=c1c([C@H]2Nc3ccccc3S(=O)(=O)N2)coc2ccccc12 96273810 YOBSLJXUEIUCHT-INIZCTEOSA-N 328.349 2.196 0 1 EEAF N[C@H](c1nc2c(S)nc(S)nc2[nH]1)c1ccc(F)cc1F 587149354 FIIWPDLFOGEGEO-ZETCQYMHSA-N 325.369 2.257 0 1 EEAF COc1cccc2cc3c(nc12)[C@](C)(c1cc(C(=O)O)[nH]n1)NCC3 963049869 BGNDENVKJAMVHR-SFHVURJKSA-N 338.367 2.074 0 1 EEAF COc1cccc(CNC(=O)c2nc3oc(C)c(C)c3c(=O)[nH]2)c1 150297277 JPBBHSUAQAWXHO-UHFFFAOYSA-N 327.340 2.072 0 1 EEAF Cc1nc2c(N3CCOCC3)nccn2c1-c1cnn(C(C)C)c1 169333450 FYLIMPYGCWVQRT-UHFFFAOYSA-N 326.404 2.319 0 1 EEAF O=C(OC[C@@H](O)CO)c1ccc(NCCCc2ccccc2)cc1 29207175 APLLKVLXXSGGMS-SFHVURJKSA-N 329.396 2.241 0 1 EEAF O=C1O[C@H](c2ccc(O)cc2)[C@H](C(=O)O)C1=Cc1ccc(O)cc1 2356380903 VCGDDWQSRJLRHG-HZPDHXFCSA-N 326.304 2.480 0 1 EEAF CC(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(C(C)C)n1 2356289004 NWFPSPRTWGPNNA-MLHJIOFPSA-N 335.492 2.136 0 1 EEAF CC(C)[C@H]1OC(=O)C=C2[C@@]3(C)CC=C[C@]4(C)C(=O)O[C@@H]([C@@H]43)[C@H]3O[C@@]213 103585219 NGMZHPQMBVXJMC-WSWCPBFLSA-N 330.380 2.160 0 1 EEAF biogenic,in-vitro COc1cccc(F)c1-c1cc(NC(=O)[C@@H]2CCCNC2)ncn1 117312111 XAMCFOQPATUPRC-LLVKDONJSA-N 330.363 2.229 0 1 EEAF O=CN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 27851213 AHETZBHERXKVNO-HUUCEWRRSA-N 337.331 2.497 0 1 EEAF COC1=C(C)C(=C2O[C@@]34CCCN5CCC[C@H](O3)[C@H]5[C@@H]4[C@H]2C)OC1=O 2356347877 PWWHYBLBRPZDAI-VVNNMYOVSA-N 347.411 2.311 0 1 EEAF CCCc1c(Cn2ccnc2-c2ncccc2C#N)ncn2ncnc12 38330335 UYUZKXAGLYQINB-UHFFFAOYSA-N 344.382 2.255 0 1 EEAF CC1=C[C@@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@](C)(O)/C=C\2[C@@H]1O)C3(C)C 199956590 SMGFYRJTHUJGEK-CRLPZSOSSA-N 334.456 2.377 0 1 EEAF C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@H](CC[C@@H]3O)[C@@]12C[C@@H](c1ccco1)OC2=O 238769775 KKPKVOMMNGLUGV-ZNVZBVPOSA-N 344.363 2.287 0 1 EEAF Cc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1 653806118 ZYZNWUMYTUWBBM-UHFFFAOYSA-N 338.455 2.332 0 1 EEAF NC(=O)NCCC[C@H](N)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587260455 WWFNNIOGDHOUGI-QMMMGPOBSA-N 333.289 2.169 0 1 EEAF CCc1cc(O)nc(SCc2nc3cc4nc(O)[nH]c4cc3[nH]2)n1 586967066 TYHKERUIWKPURN-UHFFFAOYSA-N 342.384 2.495 0 1 EEAF COCCCn1c(CN2CCCCCCC2)cnc1S(C)(=O)=O 11664130 GQYYUFQUYDXFRT-UHFFFAOYSA-N 343.493 2.089 0 1 EEAF N=c1nc(-c2ccccc2CO)[nH]c(=NCc2ccc(Cl)cc2)[nH]1 1857535820 YBSDSAUOKIJKQV-UHFFFAOYSA-N 341.802 2.131 0 1 EEAF COc1cccc(-c2cccc(Nc3cc(=O)n(O)c(=O)n3C)c2)c1 1857570391 RRIPFJLTJVBWAE-UHFFFAOYSA-N 339.351 2.204 0 1 EEAF COC(=O)CN[P@@](=O)(CC/C=C(\C)CO)Oc1ccccc1 1857640409 WNPOXOGRLMLJCX-ZCQBWMKESA-N 327.317 2.350 0 1 EEAF O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 326779806 OKGKHPUWMCLYII-WYUUTHIRSA-N 343.257 2.178 0 1 EEAF COc1cccc(CC(=O)NC[C@@H]2COc3ccccc3O2)c1OC 72723 CBMVZZGLJFGZAA-CQSZACIVSA-N 343.379 2.203 0 3 EEAF Fc1ccc(-c2cnc3n2C[C@@H](CNC2CCOCC2)OC3)cc1 2356347808 NUJXAHYTNTYBJK-MRXNPFEDSA-N 331.391 2.357 0 1 EEAF CC(=O)NCCNc1nc(-c2c(C)noc2C)nc2ccccc12 4264998 HLYULGIODFRLCG-UHFFFAOYSA-N 325.372 2.450 0 1 EEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC(=O)[C@@H]1[C@@H]3C[C@@H](C[C@H]12)OC3=O 100778545 FJCWYLRNGKSUCH-YORRAARBSA-N 344.363 2.431 0 1 EEAF endogenous,in-man CC(=CC(=O)O)C=C(C)CCCCCC[C@H](O)[C@H](CO)C(=O)O 2356845365 OEBUJDRTQIBBBJ-GJZGRUSLSA-N 328.405 2.358 0 1 EEAF O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 34858088 QDESQXAOPQWNHO-UHFFFAOYSA-N 334.441 2.160 0 3 EEAF CS[C@]1(C)NC(=O)[C@](Cc2c[nH]c3ccccc23)(SC)NC1=O 13413574 WZCXTZDWTILORX-HOTGVXAUSA-N 349.481 2.095 0 1 EEAF biogenic COc1cc(O)cc2c1-c1c3c(cc4c1C(=NCC4)[C@]2(C)O)OCO3 15265667 FJYTXXBFGIOJGK-LJQANCHMSA-N 339.347 2.363 0 1 EEAF biogenic COc1cncc(-c2cccc([C@]3(C4CC4)NC(=N)N(C)C3=O)c2)c1 84632614 VBEPQYVSCSCKOC-IBGZPJMESA-N 336.395 2.359 0 1 EEAF Cc1ccc(S(=O)(=O)NC(=O)OCCc2ccc(O)cc2)cc1 95603883 RQPKSNONRWNGRC-UHFFFAOYSA-N 335.381 2.358 0 1 EEAF NS(=O)(=O)c1ccc(F)c(-c2nc3c(Cl)ccnc3[nH]2)c1 587142386 XWWBTPUSNKZKNR-UHFFFAOYSA-N 326.740 2.065 0 1 EEAF CCOC(=O)[C@@H](C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(C)=O 587443085 TWBNYVXNHCOOTQ-IQUTYRLHSA-N 346.379 2.360 0 1 EEAF Cc1cccc(NC(=O)Cc2nc3c(O)nc(S)nc3[nH]2)c1C 587239506 QIGAAHISPIQVKQ-UHFFFAOYSA-N 329.385 2.145 0 1 EEAF COc1ccc([C@]2(CO)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440111 AJDNVMITMNDQIW-BEFAXECRSA-N 326.348 2.339 0 1 EEAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(N)ncc2[nH]1 586973465 OQKLDDXCZZHBNA-HNNXBMFYSA-N 341.440 2.651 0 1 EEAF NC1CCC(n2cc(C(=O)N[C@@H]3CCc4ccccc4C3)nn2)CC1 77437661 GDNZKYWBRMVEEK-AQFXKWCLSA-N 339.443 2.008 0 1 EEAF O=C(c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1)N1CC[C@@H](O)C1 1772613221 LMZKFGIWEHGMPK-GFCCVEGCSA-N 347.378 2.313 0 1 EEAF CC1C[C@@H]([C@H](O)c2ccccn2)C(=O)[C@@H]([C@H](O)c2ccccn2)C1 3895363 AHKMRDPUGQRUPR-VYFVYNMHSA-N 326.396 2.475 0 1 EEAF NS(=O)(=O)c1ccc(-n2c(-c3ccccc3)n[nH]c2=S)cc1 103269655 DRDFALFWDKGTMB-UHFFFAOYSA-N 332.410 2.244 0 1 EEAF CO[C@@H]1CCC([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C 103215224 ULCLBUPIXNRYLR-CYBMUJFWSA-N 326.784 2.311 0 1 EEAF C[C@H](CCc1cccc(F)c1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27736481 WGKXQUYYWFGQBK-KZULUSFZSA-N 346.402 2.275 0 1 EEAF C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCCN(C)C2)C1=O 26385377 JEBIQDWUBWGGRV-KBPBESRZSA-N 344.411 2.085 0 1 EEAF COC(=O)C=CNC(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1 2356698392 UJECFLWSXCNVMR-UHFFFAOYSA-N 337.335 2.335 0 1 EEAF O=C(O)c1c(O)cc2c(c1O)[C@H](O)O[C@@H](CCCCCCCO)C2 2356719417 XYOMNNRURKEWJB-APPDUMDISA-N 340.372 2.061 0 1 EEAF O=C(c1ccccc1)c1c(C(F)(F)F)[n+]([O-])c2ccccc2[n+]1[O-] 71296665 XVCGPNCBQNYBMA-UHFFFAOYSA-N 334.253 2.356 0 1 EEAF CNC(=O)c1cc(C(=O)NC)c2c(c1)[C@H](c1ccccc1)[C@@H](CF)O2 1911570733 SZVQXAYVVMWQTJ-CVEARBPZSA-N 342.370 2.268 0 1 EEAF COc1ccc2c(c1)CN1CN(Cc3ccccc3)S(=O)(=O)C[C@@H]21 96020158 DSIMAOCNIPUKRC-SFHVURJKSA-N 344.436 2.355 0 3 EEAF O=C(N[C@H]1CNCCC[C@@H]1O)c1ccc(OCc2ccccc2)cc1 39028452 KTKLOLIORIFNGQ-OALUTQOASA-N 340.423 2.108 0 1 EEAF biogenic Cc1nnc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccccc2)C3=O)o1 653757917 ZCDAXKCYOZMRJK-UHFFFAOYSA-N 349.350 2.127 0 1 EEAF Cn1ncc2c([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)cccc21 962895419 JTMDNRPZDVCQGM-YOEHRIQHSA-N 325.343 2.401 0 1 EEAF Cc1ncc(CNc2ccc(OC[C@@H](O)Cn3ccnc3)cc2)cn1 12147656 PMISPSKHZJXIOB-KRWDZBQOSA-N 339.399 2.034 0 1 EEAF CCSC(=S)SCC(=O)c1ccc(S(N)(=O)=O)cc1 28709995 FVHJJIJIAWFVIS-UHFFFAOYSA-N 335.497 2.288 0 1 EEAF Cc1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1 26388251 HPUAHWXMDUNZNS-UHFFFAOYSA-N 329.747 2.470 0 1 EEAF COc1ccc2c(c1)nc1n2[C@H](CNCc2nccs2)COC1 2356300120 UIKTXBQKNWVYFC-LLVKDONJSA-N 330.413 2.363 0 1 EEAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCC(=O)O 2356313872 IDKLJIUIJUVJNR-BQJWPVKWSA-N 326.433 2.263 0 1 EEAF COC(=O)c1ccc(C[C@@H](C)NC[C@H](O)COc2ccccc2)cc1 29471817 SFMAMDMWNAQZFI-QAPCUYQASA-N 343.423 2.434 0 1 EEAF COCCNC(=O)c1[nH]c(C)c(C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3)c1C 28817267 FWRUVQJJRZNKPE-MJBXVCDLSA-N 334.416 2.353 0 1 EEAF CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3[C@@H]2C=C2CCCC(C)(C)[C@@]23O)OC1=O 38306565 FIKOOQXJBAJJSE-GGDQVGFYSA-N 346.379 2.139 0 1 EEAF CC(C)=CC(=O)O[C@](C)(CO)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 13334913 AEOWACICBRVUEL-VQIMIIECSA-N 344.363 2.357 0 1 EEAF biogenic CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@H]1N2C 238767696 QKTXQEDBXGTOFH-IYBCBRGVSA-N 329.396 2.410 0 1 EEAF O=C(c1cscn1)N1CC[C@H]2C[C@H](c3nnc(C4CC4)o3)O[C@@H]2C1 96070604 GAHGOXOZPXMPSM-CYZMBNFOSA-N 346.412 2.396 0 1 EEAF COc1ccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)cc1 473136291 PLWQMYDSSJJNNV-UHFFFAOYSA-N 325.357 2.185 0 1 EEAF CCn1ccc(C(=O)c2c(C(=O)OC)[nH]c3c(C(=O)O)cccc23)n1 587639482 XOKCKNUUELEDGC-UHFFFAOYSA-N 341.323 2.100 0 1 EEAF CCc1cc([C@H](O)CN2C(=O)c3ccccc3C2=O)c(OC)nc1C 5847594 FVBBILBIFFBYEP-MRXNPFEDSA-N 340.379 2.291 0 1 EEAF CN1C(=O)c2c(nn(C)c2Cc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 13776356 CXGWFTLCSUOWTG-KGLIPLIRSA-N 335.411 2.194 0 1 EEAF COC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12 1857569292 XWYBGCNZVGKOLT-UHFFFAOYSA-N 331.759 2.298 0 1 EEAF CCn1ncc2c1CCCN(C1[C@@H]3CC4C[C@@H]1CC(O)(C4)C3)C2=O 101668608 SDTVTFWVSFBYNT-XVESAUIKSA-N 329.444 2.231 0 1 EEAF O=C(NCc1ccc(F)c(Cl)c1)c1cc2cccnc2n(O)c1=O 103253118 AGNMEEDGMFYGNI-UHFFFAOYSA-N 347.733 2.356 0 1 EEAF c1ccc2c(c1)O[C@H](N1CCOCC1)c1cnc(N3CCCC3)nc1-2 29206273 TVCVXEMVDZLDMR-SFHVURJKSA-N 338.411 2.467 0 1 EEAF COc1cc(C(=O)Nc2nnn[nH]2)nc(-c2ccc(Cl)cc2)c1 29314484 HCMWTEBNYMEWEF-UHFFFAOYSA-N 330.735 2.176 0 1 EEAF COc1c(C=CC(=O)O)c2c(c3occc13)OC[C@H](C(C)(C)O)O2 2356464537 NRLOCZBKDMABGW-LLVKDONJSA-N 334.324 2.450 0 1 EEAF O=C(NCCCN1CCOCC1)c1cc2ccc3cccnc3c2[nH]1 20575394 FKRCJTATZUGGJZ-UHFFFAOYSA-N 338.411 2.168 0 1 EEAF CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1 61908325 IDYNRUIZGATPPH-HNNXBMFYSA-N 349.427 2.438 0 3 EEAF Cc1nnc2c(N[C@@H]3CCOC3)cc(N(C)Cc3ccccc3)nn12 213518133 ARBXMSKQHDAZJA-OAHLLOKOSA-N 338.415 2.270 0 1 EEAF COC(=O)[C@@H]1COC(c2cccc(OC(=O)NC3CCCCC3)c2)=N1 45300267 HAMTZHORKYWWPS-HNNXBMFYSA-N 346.383 2.426 0 1 EEAF CCC(CC)C(=O)N1CC[C@@H]2NC(=O)N(c3ccccc3)C(=O)[C@H]21 25410272 IDZZATKCMVWDHK-GJZGRUSLSA-N 329.400 2.149 0 1 EEAF biogenic Nc1ncnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 587003413 KNKZTWYXSOJXKV-UHFFFAOYSA-N 330.149 2.241 0 1 EEAF COc1ccccc1-n1cc(-c2ccc3c(O)nc(O)nc3n2)cn1 587558057 OMJBBOQKTAKNKY-UHFFFAOYSA-N 335.323 2.297 0 1 EEAF NS(=O)(=O)c1cccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 587089350 BJDBVLBIPZNGTF-QMMMGPOBSA-N 331.678 2.134 0 1 EEAF O=C(O)/C=C/c1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 586879835 NVRSEZRTHVAHHT-VMPITWQZSA-N 332.323 2.303 0 1 EEAF CC1(C)Cc2c(sc(NC(=O)c3cn[nH]c3)c2C(N)=O)C(C)(C)O1 1772626476 JNVQVGVNPINJIV-UHFFFAOYSA-N 348.428 2.409 0 1 EEAF N=C(N)Nc1cccc(C(=O)Nc2ccc([C@@H]3C[C@@H]3C(=O)O)cc2)c1 13911342 FOYRFLMZVXPASD-GJZGRUSLSA-N 338.367 2.432 0 1 EEAF CC(C)[C@@H]1C[C@H](O)[C@]2(C)C[C@@H]3[C@H](CO)C[C@H](O)[C@@H]3[C@@](C)(O)CC=C12 2356334633 KRGUNUMKPQQOQA-NIIQXKJTSA-N 338.488 2.106 0 1 EEAF COc1ccc(-c2cc(C[C@@H]3CC[C@@H](O)[C@H](CN(C)C)O3)no2)cc1 2356363641 KZNHTOQYOQIHHB-SCTDSRPQSA-N 346.427 2.363 0 1 EEAF CCCNC(=O)Cn1ncc2c3ccccc3n(CCC)c2c1=O 6900151 JFYFGGNGVWGXNK-UHFFFAOYSA-N 326.400 2.287 0 1 EEAF O=C1[C@@]2(CO2)[C@@H]2C[C@@H](c3ccccc3)[C@]1(CO)C=C2Br 101671793 NUHDVHTZWKNFRO-UAXWRAGISA-N 335.197 2.399 0 1 EEAF O=CN1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 100969880 AHETZBHERXKVNO-GASCZTMLSA-N 337.331 2.497 0 1 EEAF CC1(C)[C@H](O)C(=O)C[C@@]2(C)[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@](O)(CO)C3 2356541156 PDTSXGBDZWSUTI-WYLVOMQKSA-N 336.472 2.292 0 1 EEAF COc1cc(O)c(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1O 14436474 AENRPKNHCJLROZ-UHFFFAOYSA-N 346.291 2.300 0 1 EEAF biogenic CNC(=O)c1ccccc1NC(=O)[C@H]1CC(c2ccc(F)cc2)=NO1 84653086 ARVPVIJPDFGZBH-MRXNPFEDSA-N 341.342 2.317 0 1 EEAF Cc1ccc(-c2nc(C(=O)NCC(=O)N3CCCCC3)co2)cc1 82072114 DGBDAUWXPRYPOR-UHFFFAOYSA-N 327.384 2.392 0 1 EEAF COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OC 49583069 FDHLKVXBJSMYEW-UHFFFAOYSA-N 325.372 2.424 0 1 EEAF C/C=C1\CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@H]5C(=O)OC 238771638 BDXYPHKGNUGUFG-BISQCJCYSA-N 338.407 2.246 0 1 EEAF Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 299887708 ZHDXWZTXAHEVKV-DDHJSBNISA-N 334.397 2.346 0 1 EEAF Cc1ncc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cn1 962969310 QDUUBTJGOIGROI-RISCZKNCSA-N 339.729 2.405 0 1 EEAF NC(=O)Cn1cc([C@H]2NCCc3nc4ccccn4c32)c2ccccc21 962983240 BKQLTBOSNWYUAA-LJQANCHMSA-N 345.406 2.009 0 1 EEAF CCOc1c(S(=O)(=O)NC[C@@H](C)O)ccc(Cl)c1Cl 1857652511 AXCXPENOSXHVFC-SSDOTTSWSA-N 328.217 2.051 0 1 EEAF Fc1cccc(NC(=S)Nn2c(S)nnc2-c2cnccn2)c1 1772634041 JIVXKRNZKQFKAN-UHFFFAOYSA-N 347.404 2.103 0 1 EEAF CCSc1nc(-c2ccc(OC)cc2)nn1C(=O)N1CCOCC1 13533118 NYMPNIWEHHDXQA-UHFFFAOYSA-N 348.428 2.366 0 1 EEAF O[C@H]1CN(Cc2ccc(F)c(F)c2)CC[C@@H]1NCc1ccccn1 208493327 KSRWPFBCOWQKEB-ROUUACIJSA-N 333.382 2.085 0 1 EEAF CCOC(=O)C1=C(CN2CCCC2)N(C)C(=O)N[C@@H]1c1ccccc1 1857774051 WEMMDPZXCMHJPN-QGZVFWFLSA-N 343.427 2.296 0 1 EEAF CC(=C/CO)/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]21C 100778728 RMAJUEUHZWCNQM-IBYOISBUSA-N 338.488 2.416 0 1 EEAF endogenous,in-man CC(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 2356289331 TXLUNYBUGYKCEL-NSHGMRRFSA-N 344.455 2.406 0 1 EEAF CCN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C(C)C)c3c2)CC1 103282264 HKRIJDLSYNVNIK-UHFFFAOYSA-N 343.427 2.423 0 1 EEAF Cc1noc(C)c1Cn1cc(NC(=O)[C@H](CO)c2ccccc2)cn1 115730779 LINAEBHNERFHOZ-QGZVFWFLSA-N 340.383 2.251 0 1 EEAF COc1cc(O)cc([C@@H]2Oc3c(OC)cc(C=O)cc3[C@H]2CO)c1 2356549121 RPBBEKGVUSUHOB-WBVHZDCISA-N 330.336 2.432 0 1 EEAF O=C(c1ccno1)N1C[C@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356586388 XWSHZDAMAMPHDE-HZMBPMFUSA-N 348.309 2.069 0 1 EEAF COc1cc([C@H]2Oc3c(OC)cc(CCO)cc3[C@H]2CO)ccc1O 2356754921 TXHGJKUVNPUSLN-RDTXWAMCSA-N 346.379 2.154 0 1 EEAF COC(=Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2356779224 OSFOPIPOGIRMHL-INIZCTEOSA-N 341.363 2.192 0 1 EEAF O=c1c(NCc2ccco2)c(NC[C@@H]2CCCN3CCCC[C@@H]23)c1=O 504657682 ZLFZSHHBOTVGOY-ZFWWWQNUSA-N 343.427 2.164 0 1 EEAF biogenic Cc1nc(C)n([C@@H]2CCCN(C(=O)c3nc(C)n4ccccc34)C2)n1 72294756 QEABRUVLAQWNNN-OAHLLOKOSA-N 338.415 2.328 0 1 EEAF COC(=O)c1cc(OC)ccc1-n1cnc2ccc(OC)cc2c1=O 653703915 BJRZJPZOYQWHHD-UHFFFAOYSA-N 340.335 2.190 0 1 EEAF CC(C)(C)OC(=O)N1CC[C@H](c2ccc3c(O)nc(O)nc3n2)C1 587559507 YXGPVBMLQJJMSI-VIFPVBQESA-N 332.360 2.160 0 1 EEAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(O)ncnc2[nH]1 587041142 ADUWXLUZVHXCKV-VIFPVBQESA-N 347.787 2.367 0 1 EEAF NC(=O)c1cccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 587170977 HNDPBQDLXRDDAH-UHFFFAOYSA-N 327.315 2.258 0 1 EEAF COc1cc2c(cc1OC)[C@@H](C(CO)CO)N(C1CCCC1)CC2 261303661 DSOIHRKEFDANRP-LJQANCHMSA-N 335.444 2.146 0 1 EEAF COc1ccc(C2(O)CCN(C(=O)Cc3cccnc3)CC2)cc1 1348059 MLNKPRJWJJXTQW-UHFFFAOYSA-N 326.396 2.143 0 3 EEAF O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccc(F)c(F)c1 4564624 KFVUXVTVNVZCBR-DICSFEIXSA-N 346.333 2.101 0 1 EEAF NCCc1nc2cc(Cc3ccc4[nH]c(CCN)nc4c3)ccc2[nH]1 6721286 CYBKIWNMUMLNTF-UHFFFAOYSA-N 334.427 2.032 0 3 EEAF CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccc(O)cc13)C2 101316619 FKNBNSUXUZHSKP-STQMWFEESA-N 328.416 2.024 0 1 EEAF CCCCCS(=O)(=O)NC[C@@H]1Cc2ccc(CC(=O)O)cc2C1 27329334 AAXFWSSVYINXCB-CQSZACIVSA-N 339.457 2.138 0 1 EEAF COc1ccc(C2=NN(CCCO)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26570855 VUISAJWDMBCIQP-HUUCEWRRSA-N 346.427 2.439 0 1 EEAF O=C(O)CCCCCCC=CC(=O)N[C@@H](CO)Cc1ccccc1O 2356818270 DSGPWSYQJVLDOV-MRXNPFEDSA-N 349.427 2.393 0 1 EEAF COCCNC(=O)[C@]1(C)CCCN(Cc2sc(C)nc2C)C1 61895523 OUVCUSODATWHTG-MRXNPFEDSA-N 325.478 2.125 0 3 EEAF COc1c(O)ccc2c1-c1c3c(cc4c1[C@H](C2)N(C=O)CC4)OCO3 14612175 RTUWYWJLPNOQKH-LBPRGKRZSA-N 339.347 2.408 0 1 EEAF biogenic CC(=O)N1c2c(O)cccc2[C@]23CCN4CC[C@H](C[C@H]12)C1=CCO[C@]143 84651878 FPEWLKWWYJYGBX-IQCLKLAJSA-N 338.407 2.147 0 1 EEAF CCCCOCCCNC(=O)[C@H](C)NC(=O)c1csc(CC)n1 82070528 PWWSZTLUOOZUMN-LBPRGKRZSA-N 341.477 2.147 0 1 EEAF CC[C@H](C)[C@@H](CO)NC(=O)/C=C/[C@](C)(O)[C@@H]1O[C@H](CC)C[C@@H]1C 140073983 AKQLFHXLRLKXAB-KBAUJVDISA-N 327.465 2.020 0 1 EEAF O=C(CCc1nnc2sc(S)nn12)c1nc2ccccc2[nH]1 95591480 ULJSWQOPHVAVOI-UHFFFAOYSA-N 330.398 2.166 0 1 EEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@H](O)[C@H]1[C@H]3C[C@@H](C[C@H]12)OC3=O 257501089 OEIFXOHVCYVTGK-INHMHYRTSA-N 346.379 2.223 0 1 EEAF endogenous,in-man CCOC(=O)CC[C@@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587400837 RQLRYZAFOCENHG-SFHVURJKSA-N 349.383 2.188 0 1 EEAF COC(=O)[C@@H]1C[C@]23C=CCN4C[C@H]([C@H]2C)[C@]2(c5ccccc5N[C@@H]12)[C@H]43 103587369 AXEOWLVNPZQDNZ-QJVBFSNKSA-N 336.435 2.418 0 1 EEAF biogenic,in-vitro N[C@H](C(=O)N1CCc2ccccc21)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 101154653 IIKGPFWQNZDVEK-WGHTVKHISA-N 326.440 2.234 0 1 EEAF CS(=O)(=O)[C@@H]1C[C@H]2c3ncccc3C[C@H]1N2Cc1ccccc1 1911581692 VWYICRJWYDQBRB-IXDOHACOSA-N 328.437 2.367 0 1 EEAF COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@@H](c3ccncc3)[C@@H]1C2 73168576 GXWKICGJRDYLKP-DYVFJYSZSA-N 338.367 2.111 0 1 EEAF CCn1cnnc1[C@@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1 142083200 YFRHNXXKSGZALT-VXGBXAGGSA-N 345.407 2.242 0 1 EEAF CCn1c(=O)n(C(C)C)c2cc(C(=O)c3cnn(C)c3O)ccc21 299858582 DWCSJMAAZVXTBH-UHFFFAOYSA-N 328.372 2.074 0 1 EEAF COc1cncc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 587034239 FOBOPYWBUJGCKR-UHFFFAOYSA-N 328.397 2.447 0 1 EEAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587196410 UVMMFILTEPZQHQ-LLVKDONJSA-N 344.440 2.428 0 1 EEAF Cc1ccc(F)c2c1NC(=O)[C@@]21N[C@H](C(=O)O)Cc2cccc(F)c21 962899208 QPDLBUMENOKJAM-SGTLLEGYSA-N 344.317 2.068 0 1 EEAF C[C@]1(c2ccsc2C(=O)O)N[C@H](C(=O)O)Cc2cc(F)ccc21 962899225 QPXQIWWMLVJTIP-LRDDRELGSA-N 335.356 2.448 0 1 EEAF CC[C@@]1(CC(=O)O)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962630800 FWCBWESYGVSHLB-MOPGFXCFSA-N 342.395 2.413 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cc(-c3ccncc3)[nH]n2)N1 962904178 NXRCQYNFCROOHZ-DOTOQJQBSA-N 338.342 2.299 0 1 EEAF CO[C@@H]1C=C[C@]23c4cc5c(cc4[C@H](C)O[C@H]2CN(C)[C@H]3C1)OCO5 2356329321 BEUAXUHESIYYCT-GBNPZTFISA-N 329.396 2.402 0 1 EEAF O=C(O)C(=C1OC(=O)C(c2ccc(O)cc2)=C1O)c1ccc(O)cc1 2356395426 QFIPVAAXLHOLFN-UHFFFAOYSA-N 340.287 2.420 0 1 EEAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2c[nH]ccc2=O)cc1 27099014 MZKQWOFUQWOBQJ-UHFFFAOYSA-N 349.799 2.285 0 1 EEAF C[C@]1(CO)C[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 2356782054 COMXNNJQOALRDW-FWMLDDLOSA-N 338.488 2.086 0 1 EEAF COc1cc2c(cc1OC)[C@]13C[C@H](OC)[C@@H](O)C=C1CCN3CCC2 14440760 ZBIQTIQJLXNQFZ-VDGAXYAQSA-N 345.439 2.257 0 1 EEAF biogenic CCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@@H](C)CN2 82211233 PFSJIBRIAHQLAL-LBPRGKRZSA-N 344.415 2.027 0 1 EEAF Oc1nc(-c2nc3cc(I)cnc3[nH]2)cs1 587017575 LZNWFWSTUBFUOE-UHFFFAOYSA-N 344.137 2.392 0 1 EEAF COC(=O)c1noc(C)c1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436185 MWHKQHSMMTXYMW-ADLMAVQZSA-N 343.335 2.441 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN1CCOCC1 587871913 FDUSHMDRVGQFNN-UHFFFAOYSA-N 347.390 2.450 0 1 EEAF COC(=O)c1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cn1 587156410 NCRFFGJJZQMPJX-DYZYQPBXSA-N 326.331 2.225 0 1 EEAF COC(=O)[C@@H]1CCCN1C(=O)CCc1nnc(C2CCCCC2)o1 11879253 BTPNFMRTBIAKJN-ZDUSSCGKSA-N 335.404 2.214 0 3 EEAF CN1C(=O)[C@@H](NC(=O)c2cc3cccc(N)c3[nH]2)Cc2ccccc21 13587919 KWLMSXADIVLIQI-HNNXBMFYSA-N 334.379 2.068 0 1 EEAF COc1cc(CNC(=O)/C=C/c2ccc(NC=O)cc2)ccc1O 13832547 AKIQQQKAIIWXKQ-WEVVVXLNSA-N 326.352 2.299 0 1 EEAF C[C@@]1(CO)[C@H]2CCC3=C[C@H]4C[C@]3(CC[C@]4(O)CO)[C@]2(C)CC[C@H]1O 2356325411 OKMFPXZJFUMMEY-JXUVHZKSSA-N 336.472 2.006 0 1 EEAF COc1cc(C[C@H]2NCCc3nc(N)sc32)cc(OC)c1OC 3940886 WCLVWYZGFNFOGA-LLVKDONJSA-N 335.429 2.181 0 1 EEAF CCCCOC(=O)N[C@@H](C(=O)N[C@H](CCCC)C(=O)O)C(C)C 27745885 WBOPJFBHTDFKKU-CHWSQXEVSA-N 330.425 2.297 0 1 EEAF O=C(O)CCC(=O)O[C@]12CCCC[C@@H]1[C@H]1CCCC[C@]1(O)OO2 58528754 NMOQQEQDHSENLC-MPTQWLOMSA-N 328.361 2.122 0 1 EEAF CC(C)Cn1c(CN2CCN(C)[C@@H](CCO)C2)nc2ccccc21 22926633 VVMOPJSIDOESHF-INIZCTEOSA-N 330.476 2.191 0 3 EEAF Cc1cccc(-n2ccnc2CN2CCN(C(C)C)[C@H](CCO)C2)c1 36385618 FMCLPKVONZMCNC-LJQANCHMSA-N 342.487 2.458 0 3 EEAF NC(=O)c1c(N)nc(OC2CCCC2)nc1O[C@@H]1CCCC[C@@H]1F 84654669 RZOBFPPQBGMJTQ-WDEREUQCSA-N 338.383 2.139 0 1 EEAF O=C([C@@H]1CCCO1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 95572938 RSSKWMLHOKVMPN-ZDUSSCGKSA-N 333.775 2.495 0 1 EEAF O=C(C1=CCCC1)N1C[C@H]2COC[C@@]2(COc2ncccc2F)C1 299842418 PZLMKVXCRODSDH-KBXCAEBGSA-N 332.375 2.185 0 1 EEAF Nc1ncnc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc12 587220965 DVEWCWKKVOTSMB-AWEZNQCLSA-N 344.378 2.455 0 1 EEAF CCOc1n[nH]c(-c2nc3cc(N)c(N)cc3[nH]2)c1Br 586980258 UTUAOZNZTHTAGD-UHFFFAOYSA-N 337.181 2.279 0 1 EEAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1S(C)(=O)=O)[C@@H](C2)C3=O 587449754 RHLZRBYUJLJVJJ-RVSPLBMKSA-N 336.409 2.169 0 1 EEAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc4nc(O)[nH]c4cc3[nH]1)C2 587246611 HYAAFYKJOPZGAA-LJQANCHMSA-N 349.394 2.496 0 1 EEAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c[nH]c(=N)[nH]c-3n2)s1 587023103 KEAJDJLVGSRWSO-UHFFFAOYSA-N 333.377 2.188 0 1 EEAF CCCn1c(=O)c2c(nc3ccccn32)n(Cc2ccccc2)c1=O 13475098 LDLBAAURBBVHGB-UHFFFAOYSA-N 334.379 2.269 0 1 EEAF COC(=O)c1ccc([C@@H](O)[C@H](C)C(=O)CC(=O)OC(C)(C)C)cc1 13829240 KHQJZJQHHZYYOC-BZNIZROVSA-N 336.384 2.444 0 3 EEAF CC(C)[C@@H]1OC(=O)C=C2[C@]13O[C@H]3[C@@H]1OC(=O)[C@@]3(C)CCC[C@]2(C)[C@@H]13 14612048 CBWGBTDKXAPUMY-HSTZUDBKSA-N 332.396 2.384 0 1 EEAF biogenic COC(=O)c1cc2c(cn1)[C@]13C[C@H](OC)CC=C1CCN3CCC2 2356434054 CESLPEVVJXRVQA-BEFAXECRSA-N 328.412 2.451 0 1 EEAF C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@](O)(CCC3)[C@]12C[C@H](c1ccoc1)OC2=O 2356459632 UBZGBVBKCSWHNF-VNVCUKOFSA-N 344.363 2.431 0 1 EEAF Cc1cc(=O)[nH]c(SCC(=O)NCCCCc2ccccc2)n1 72110855 VGIVLGHUCVQJCA-UHFFFAOYSA-N 331.441 2.310 0 1 EEAF Cc1c(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)cnn1C 72274949 QAMVAXUHVOGFKE-UHFFFAOYSA-N 339.399 2.278 0 1 EEAF C[C@H](CCOc1ccc2ccc(=O)oc2c1)CC(=O)[C@H](O)C(C)(C)O 14587275 HBMSEMYDXQVXRB-XIKOKIGWSA-N 348.395 2.289 0 1 EEAF biogenic CC[C@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1 95594562 ZPKXDHHDZZKMKI-LLVKDONJSA-N 342.407 2.124 0 1 EEAF CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(Cc2ccno2)C1 95402368 XFFFZBWQTSFAJA-CQSZACIVSA-N 332.404 2.409 0 1 EEAF c1c(CC2CCCCC2)nnn1[C@@H]1CO[C@@H]2[C@@H](NCC3CC3)CO[C@@H]21 36367596 WLGSMULHXCESLR-WJFTUGDTSA-N 346.475 2.108 0 1 EEAF biogenic COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3nc(N)nc(Cl)c3[nH]2)cc1 587786358 QCAZANPVQNLUGD-UWVGGRQHSA-N 343.774 2.532 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COCC(=O)C2)N1 587837073 ZFAWOEWFYBUUJQ-CLAHSXSESA-N 328.181 2.307 0 1 EEAF Cc1cc2nc(CCS(=O)(=O)N(C)C)[nH]c2cc1Br 586930928 QBIJPESAOKFLDX-UHFFFAOYSA-N 346.250 2.068 0 1 EEAF CCOC(=O)c1coc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587436114 LXEVSOVWEAQZNS-BMIGLBTASA-N 329.308 2.349 0 1 EEAF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1cc(Cl)ccc1O 587368442 KEFZMORBNNWYRV-UHFFFAOYSA-N 347.714 2.089 0 1 EEAF CCOC(=O)c1c(N)oc(C)c1[C@]1(C)NCCc2c(C)ccnc21 963094678 ZGIZMCXHSVOZBP-SFHVURJKSA-N 329.400 2.460 0 1 EEAF NCC(=O)Nc1cccc(S[C@@H](CC(=O)O)c2cccnc2)c1 13589282 ZOVIFDVUAAMLCU-AWEZNQCLSA-N 331.397 2.287 0 1 EEAF O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2S(=O)(=O)N1CCCCc1ccncc1 169295390 AWLGVKCXSOFROF-VQHPVUNQSA-N 346.452 2.157 0 1 EEAF O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055219 QVXUZKYOAVVAGX-HIFRSBDPSA-N 334.759 2.133 0 1 EEAF NC(=O)c1cc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cs1 6859535 CVVZNISIUJDTBN-ZDUSSCGKSA-N 336.438 2.203 0 1 EEAF CCCCNC(=O)C1=C(c2c(C)[nH]c3ccccc23)C(=O)N(C)C1=O 59086451 FTKIYKGNFVABRG-UHFFFAOYSA-N 339.395 2.145 0 1 EEAF C[C@]12[C@H]3C[C@@]4(O[C@H](c5ccoc5)C[C@H]4[C@H]1C[C@H]1C[C@H]2C(=O)O1)C(=O)O3 2356490938 ZUORJPZGFYNDHW-BOICSAKMSA-N 344.363 2.383 0 1 EEAF N#Cc1cccc(-c2c[nH]c3ncnc(NCCN4CCOCC4)c23)c1 210709981 RQRXAEJJSVVQHF-UHFFFAOYSA-N 348.410 2.241 0 1 EEAF COC(=O)C1=C[C@@H]2C[C@@H](OC(C)=O)[C@@H]3CCCN4CCC[C@@]23C4=C1 14583709 UFOZGBPERPDMNF-YYAJDYIMSA-N 331.412 2.427 0 1 EEAF biogenic CC(=O)N[C@H]1CCN(c2ncc(C)c(NCc3ccc(F)cc3)n2)C1 82203502 BDHKIKSJWWDNIA-INIZCTEOSA-N 343.406 2.251 0 1 EEAF COCCNC(=O)c1cnc(N2CCCC2)nc1-c1cccc(C)c1 82147296 QHLSAVKTINOTNB-UHFFFAOYSA-N 340.427 2.428 0 1 EEAF C[C@@]12CCCC(CO)(CO)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 238775669 OSDMCLGYBVZLJQ-UXDJLLJZSA-N 338.488 2.087 0 1 EEAF biogenic CCNc1nc2c(s1)C(=O)CN(C(=O)NCc1ccccc1)C2 299850278 XLMYFFSYIMFELM-UHFFFAOYSA-N 330.413 2.483 0 1 EEAF Nc1c(Cl)cc(C[C@@H](N)C(=O)O)cc1-c1cccc(C(=O)O)c1 1772637585 JSHTULRQRNITRF-CYBMUJFWSA-N 334.759 2.242 0 1 EEAF c1cc2c(ncn3nnc([C@H]4CC[C@H](CN5CCOCC5)CC4)c23)[nH]1 1772577632 NYCWHTPORYIFIW-HDJSIYSDSA-N 340.431 2.212 0 1 EEAF Cc1ccc(C2=Nc3ccc(Cl)cc3C3=NNCC(=O)NN23)cc1 169339871 VURMBFYHJXYCIV-UHFFFAOYSA-N 339.786 2.338 0 1 EEAF NC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1cccs1 1857547548 DHJLDPUAFAEOCN-UHFFFAOYSA-N 339.420 2.086 0 1 EEAF O=C(NC[C@H]1CCCO1)[C@H]1CCC(=O)N1Cc1ccccc1Cl 220926 LYXFRQBJISNWGP-UKRRQHHQSA-N 336.819 2.126 0 3 EEAF CCCc1c(OC[C@H](O)CSCC(=O)O)ccc(C(C)=O)c1O 1552214 FDSCNESPRGKMGP-NSHDSACASA-N 342.413 2.105 0 1 EEAF CC(=CC=C[C@H](C)C=CCC(C)C)[C@@H]1[C@H](O)C=C(CO)[C@@H](O)[C@@H]1O 2356452477 RLFDVGHDISQUKQ-DSFJHFMVSA-N 336.472 2.359 0 1 EEAF CN1CCN(C(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1 20116777 VUERUFYNNHRPNF-UHFFFAOYSA-N 328.393 2.395 0 1 EEAF C[C@@H]1OC[C@H]2[C@@H]3Nc4ccccc4[C@@]34CCN(C)C[C@H]1[C@@H]2CC4=O 2356865082 WJNDCLTZZJQWQW-GWSFIHCKSA-N 326.440 2.294 0 1 EEAF C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1[C@H](C)c1ccccc1 219134507 ZFGBUFOUHWHLIY-QWHCGFSZSA-N 334.383 2.341 0 1 EEAF CCc1c(Cc2ccccc2)n(Cc2ccccc2)c(=O)n(O)c1=O 71316173 PPCGKQZLIDQRDM-UHFFFAOYSA-N 336.391 2.449 0 1 EEAF Cc1[nH]c(C(=O)NC2CNC2)cc1Cc1ccc(C(F)(F)F)nc1 1911581910 OHKVBSVEOMKEQX-UHFFFAOYSA-N 338.333 2.029 0 1 EEAF CCCn1c(=O)c2c(cc(-c3ccc(O)cc3)n2O)n(CCC)c1=O 40847276 ZJZZCFUGJJVKFL-UHFFFAOYSA-N 343.383 2.395 0 1 EEAF N#Cc1ccc(N(C2CC2)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)nc1 149044001 DPAJKHCGADQTTF-OAHLLOKOSA-N 345.410 2.472 0 1 EEAF Oc1ccc2c(c1)CCN([C@H]1CO[C@H](c3ccccc3)OC1)C[C@@H]2O 253920487 DKUNGJZSUMCVMS-VDGAXYAQSA-N 341.407 2.398 0 1 EEAF CCc1cnc(N2C[C@@H](OCc3csc(C)n3)[C@H]3COC[C@H]32)nc1 299842792 YXDCAGRUYQZWTO-ARFHVFGLSA-N 346.456 2.224 0 1 EEAF CN1CC[C@]2(CN(CC3CCOCC3)C[C@@H]2c2ccccc2)C1=O 299843770 XUVBDDHJXKQOHM-UYAOXDASSA-N 328.456 2.361 0 1 EEAF NS(=O)(=O)c1ccc(-n2cc3c(n2)-c2ccccc2NC3)cc1 653688016 RZZWDEXUUCGWCA-UHFFFAOYSA-N 326.381 2.112 0 1 EEAF OC[C@@H](O)[C@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586889228 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2.205 0 1 EEAF CC(C)Cn1c(CN2CCN(C)[C@H](CCO)C2)nc2ccccc21 36379976 VVMOPJSIDOESHF-MRXNPFEDSA-N 330.476 2.191 0 3 EEAF Cn1c(=O)sc2cc(N3C[C@]4(CN5CCC4CC5)OC3=O)ccc21 40566940 LUWBIWCSQQBDLY-KRWDZBQOSA-N 345.424 2.021 0 1 EEAF CC(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)cnc2n1 96283489 UVHKOCATXWUXBQ-UHFFFAOYSA-N 336.277 2.351 0 1 EEAF CC1CCC(NC(=O)c2cc3cccnc3n(CCCO)c2=O)CC1 299836228 MXKGVKJQVDAWMA-UHFFFAOYSA-N 343.427 2.087 0 1 EEAF COc1ccc([C@H](O)[C@@H](C)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 587936746 LWFVUMDLOKMCEF-RDDDGLTNSA-N 333.779 2.216 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC)ncc2[nH]1 587232518 YGQRETGUHCUZHV-VXGBXAGGSA-N 332.404 2.003 0 1 EEAF Cc1cc(Br)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2c1 587970558 KIWDARHHIFEJKQ-AYMMMOKOSA-N 339.145 2.133 0 1 EEAF CS(=O)(=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 587153800 DHSUPZZCPBBYNA-SJKOYZFVSA-N 345.399 2.447 0 1 EEAF Oc1nc(O)c2ccc(-c3nc(Br)ccc3F)nc2n1 587368994 ZEWGMKQDXMVFDM-UHFFFAOYSA-N 337.108 2.400 0 1 EEAF Cc1ccnc2c1CCN[C@@]2(C(=O)O)c1cnn(-c2ccccc2)c1 963073107 PCJWVUKGMXQKBU-IBGZPJMESA-N 334.379 2.050 0 1 EEAF Cn1c(Cc2ccccc2)nc(C(=O)NCc2ccccc2)c(O)c1=O 1857653507 GCHYOUCROLTNNE-UHFFFAOYSA-N 349.390 2.007 0 1 EEAF CC(C)[C@@H]1[C@H](O)[C@@H](O)[C@@H](C(C)C)N(CC2CC2)C(=O)N1CC1CC1 6486985 PKNSWTXTLSKLHZ-BDXSIMOUSA-N 338.492 2.315 0 1 EEAF CC1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNC(=O)c2ccco2)CC1 2356310907 UOVXKASBTAJDKS-BZSNNMDCSA-N 345.487 2.452 0 1 EEAF O=C1[C@@H]2[C@H]([C@H]3C=C[C@H]2CC3)S(=O)(=O)N1CCCCc1ccncc1 100009130 AWLGVKCXSOFROF-QAETUUGQSA-N 346.452 2.157 0 1 EEAF C[C@H]1CC=CCC[C@@H](O)CC(=O)Cc2cc(O)cc(O)c2C(=O)O1 2356334213 BOOGYPBXHOLWJD-WCQYABFASA-N 334.368 2.246 0 1 EEAF Cc1ccccc1CNC(=O)c1nc(-c2cccs2)[nH]c(=O)c1O 28820284 LNOZHNZDRONKFT-UHFFFAOYSA-N 341.392 2.442 0 1 EEAF COc1cc2c(cc1OC)[C@@]13CCN(C)[C@@H](C2)[C@@H]1CC(=O)[C@@H](OC)C3 2356594489 UVQNELLAYVUQEY-SLUIBLPYSA-N 345.439 2.196 0 1 EEAF Cn1cc(-c2nc(NCCN)c3c4c(sc3n2)CCCC4)cn1 223687184 YPJLAUDFBNPNBY-UHFFFAOYSA-N 328.445 2.341 0 1 EEAF Nc1nc(C[C@@H](O)c2ccc(Cl)cc2)c(Br)c(=O)[nH]1 96914683 OHERLKWBOVKZCV-SECBINFHSA-N 344.596 2.044 0 1 EEAF CCS(=O)(=O)NCCCc1nc2cccc(Br)c2[nH]1 586942279 ITSYZIKLPLVJKJ-UHFFFAOYSA-N 346.250 2.197 0 1 EEAF Nc1cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c2ccccc2n1 587254717 XHRVZODSPOBJCJ-UHFFFAOYSA-N 340.364 2.607 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(CCO)cc2[nH]1 587230568 HYUGXFXJJQLHNG-CABCVRRESA-N 345.443 2.134 0 1 EEAF CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439971 FAIYYFQMRJKVTO-RYYWJVPSSA-N 328.364 2.401 0 1 EEAF COC(=O)c1scnc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454537 YMEWVNOVCIMKKP-YMTOWFKASA-N 331.349 2.427 0 1 EEAF COC(=O)[C@H]1CC(=O)C[C@]2(C1)NCCc1c(OC)ccc(Cl)c12 963256780 FFPSMXFWKJPFID-BTDLBPIBSA-N 337.803 2.232 0 1 EEAF Nc1nccc(N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)n1 12304794 XGCFQEBCISMOPX-KRWDZBQOSA-N 338.459 2.192 0 1 EEAF C[C@H]1C/C=C\[C@@H](O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 169348250 NHAQNKDEUQPSIX-NIARMXIZSA-N 334.368 2.118 0 1 EEAF CS(=O)(=O)Nc1ccc(NC=C2C(=O)Nc3ccccc32)cc1 1857742784 UGKCASUMDGHTLI-UHFFFAOYSA-N 329.381 2.463 0 1 EEAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)NC2CCOCC2)cc1 2356294917 SGQVVJVYKSVFER-LLVKDONJSA-N 346.383 2.312 0 1 EEAF CCC[C@@H](O)CN1CC(C)(C)CN(C(=O)c2ccccc2)CC1=O 105847925 CVNIUFDEVDIDRU-MRXNPFEDSA-N 332.444 2.158 0 1 EEAF COc1c2c(cc3oc(CO)cc(=O)c13)O[C@@H]1[C@@H]2CCC[C@@]1(C)O 2356307891 BQKKVRYZINTZPY-AQQIJUCISA-N 332.352 2.073 0 1 EEAF O=C(NCc1ccc(F)c(Cl)c1)c1c(O)c2cccnc2[nH]c1=O 103253105 MNUQMXPJCQIOKT-UHFFFAOYSA-N 347.733 2.351 0 1 EEAF CN(C)CCN1C(=O)c2cc(N)cc3cc4c(c(c23)C1=O)CCCC4 26832043 MZIVNDXRJKWQSD-UHFFFAOYSA-N 337.423 2.458 0 1 EEAF C[C@]1(CO)[C@H](O)CC[C@]2(C)[C@H]1CCC1=C[C@H]3C[C@@]12CC[C@]3(O)CO 2356325416 OKMFPXZJFUMMEY-UQEPQNNOSA-N 336.472 2.006 0 1 EEAF COc1cc2c(cc1OC)[C@H]1C(C)=c3ccc4c(c3=CN1C=C2)OCO4 2356870751 XUHTWMVMFSJWAX-HXUWFJFHSA-N 349.386 2.382 0 1 EEAF NC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1 36380822 ZABRHNDJMHAVOF-UHFFFAOYSA-N 345.424 2.283 0 3 EEAF COc1ccc(C2=NNC(=O)C[C@@H]2C)c2cc(C(F)(F)F)nn12 35824465 IDPCPRHAKGSESY-ZETCQYMHSA-N 326.278 2.222 0 1 EEAF Nc1cnc(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cn1 212373423 SXONKUBZFICRAY-UHFFFAOYSA-N 344.371 2.179 0 1 EEAF COC(=O)c1cccc(Oc2nc[nH]c(=O)c2[C@H]2CC(C)=NN2C)c1 72177409 OUQLVXZDJINDCF-CYBMUJFWSA-N 342.355 2.101 0 1 EEAF COc1cc2c(cc1OC)C(=O)N1C=C(c3cnn(C)c3)C[C@H]1C=N2 49807473 QNRHFRYBXTZDSI-ZDUSSCGKSA-N 338.367 2.409 0 1 EEAF CCn1cc(C(=O)N2CCC(C(=O)c3nccs3)CC2)c(C)n1 45303252 AHFNQAAJAUFSHD-UHFFFAOYSA-N 332.429 2.403 0 1 EEAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccccc1 226104265 KYSQKNCHILVPJH-OUCADQQQSA-N 328.372 2.356 0 1 EEAF CCO[C@H]1O[C@H]2CN[C@H]3C[C@H](OC)C=C[C@]32c2cc3c(cc21)OCO3 238782657 DWXXGLPEQMCHLG-HPCYMTJXSA-N 345.395 2.034 0 1 EEAF O=C(NCCCN=c1[nH]c2ccccc2[nH]1)c1cncc(Cl)c1 473136224 ZODAJKJZZBPRCU-UHFFFAOYSA-N 329.791 2.265 0 1 EEAF O=C1CSC[C@H](c2nc3ccc(Br)c(F)c3[nH]2)N1 587043366 LAMFIBKFBWXPAO-SSDOTTSWSA-N 330.182 2.369 0 1 EEAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccn3)c(CC(=O)O)c2c1 587651477 UUCJSMNHRUUNBY-UHFFFAOYSA-N 330.365 2.261 0 1 EEAF C[C@]1(CS(C)(=O)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606687 ITSMEAWNYUNGJU-RHSMWYFYSA-N 348.376 2.157 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cncc(OC)c2[nH]1 587230980 KXBGUMGULBWWLD-NEPJUHHUSA-N 332.404 2.003 0 1 EEAF COC(=O)c1ccc2nc(CSC(C)(C)C(=O)O)[nH]c2c1OC 586960489 WPZYPPDSSJXZON-UHFFFAOYSA-N 338.385 2.455 0 1 EEAF CN(C)S(=O)(=O)c1ccc(-c2nc3cnc(Cl)cc3[nH]2)o1 586930874 JHQPYVHKHNOXSY-UHFFFAOYSA-N 326.765 2.122 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(Cl)ncnc2[nH]1 587231576 PHYMRZPXCPDAKS-VHSXEESVSA-N 337.811 2.043 0 1 EEAF CCCCC[C@@H](O)[C@H](O)C[C@H](O)[C@H](O)CCCCCCCC(=O)O 5103927 VJOGZGLNDROOFS-VQHPVUNQSA-N 348.480 2.216 0 1 EEAF Cc1ccc2c(c1)CCN1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21 13820257 AJMASVRAQXEVCD-NJAFHUGGSA-N 334.485 2.338 0 1 EEAF CC(=O)Nc1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@@H]2C(=O)NC(=O)[C@@H]21 1857598248 GUUBZYJUXOVCNT-ZJPYXAASSA-N 332.359 2.125 0 1 EEAF COc1cccc(-c2ccc(Oc3cc(=O)n(O)c(=O)n3C)cc2)c1 1857618701 YFXPFKHGNCZOEF-UHFFFAOYSA-N 340.335 2.252 0 1 EEAF O=C(c1ccc(Cl)cc1)[C@H](CO)n1cnc2ccccc2c1=O 29307894 SSTCVWYHONZIIR-HNNXBMFYSA-N 328.755 2.466 0 1 EEAF COc1ccc(CO[C@@]2(C3=NCCN3)COc3ccccc3O2)cc1 26002802 FWWPRIDOYWTPMS-IBGZPJMESA-N 340.379 2.381 0 1 EEAF O=C(NCCO)c1ccc(-n2c3ccc(F)cc3c3[nH]ncc32)cc1 210505751 RZXSROGFHJQWNH-UHFFFAOYSA-N 338.342 2.368 0 1 EEAF COc1cc(O)cc2c1C(=O)[C@@H]1OCc3cc(O)c(O)cc3[C@@H]1O2 13410925 VBHQQUQXWGPBBF-IRXDYDNUSA-N 330.292 2.027 0 1 EEAF biogenic COC(=O)c1c(Cc2ccccc2)n(O)c2ccc(C)cc2[n+]1=O 137261468 NOPSQFLSNLSGCW-UHFFFAOYSA-N 325.344 2.479 0 1 EEAF C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(S(C)(=O)=O)nc1 95589133 QFSSAQYDZVUDBE-MAZHCROVSA-N 344.436 2.466 0 1 EEAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587094184 LVKWNIZEQPIVNE-MRVPVSSYSA-N 342.321 2.394 0 1 EEAF COC(=O)c1ccnc2[nH]c(-c3cccc(-c4cnc(N)nc4)c3)nc12 587254802 PDGOTATXUZZXOP-UHFFFAOYSA-N 346.350 2.451 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COCC2=O)N1 587836445 UURHLZWLGWAWJN-RTHLEPHNSA-N 326.165 2.431 0 1 EEAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(OC)nc2[nH]1)C(C)C 586932118 ARMDQTPDTNBYHP-ZDUSSCGKSA-N 340.449 2.383 0 1 EEAF O=C(O)Cc1cc(O)n(NCc2ccccc2Br)c1O 587939884 GKAVBIQIEZUNLN-UHFFFAOYSA-N 341.161 2.033 0 1 EEAF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)sn1 963233021 SVHFCPKDORYTPN-XJKSGUPXSA-N 341.392 2.388 0 1 EEAF C/C=C1/CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H](CO)[C@H]1C[C@H]24 5663743 IJTKEUDLEABZCZ-SEACFGBCSA-N 338.451 2.322 0 1 EEAF CC[C@H](C)[C@H]1C[C@@H]([C@H](C)CC)C=C1[C@H](O)C[C@H](O)[C@H](O)C(=O)O 5922615 RKOUCPMGBBKLNK-XLOUWHCTSA-N 328.449 2.199 0 1 EEAF in-man CC(=O)c1c(O)cc(O)cc1C[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 15214955 YAAJRTVBAVFJQG-CYBMUJFWSA-N 344.319 2.036 0 1 EEAF biogenic,in-vitro C[C@H]1CCC[C@@H](NC(=O)CN2C(=O)CSc3ncccc32)[C@@H]1C 6802518 OUFINTQVLFBYEJ-YNEHKIRRSA-N 333.457 2.461 0 1 EEAF CCN1C[C@@H]2CN(C(=O)NCc3ccccc3)CCC[C@]2(C(=O)O)C1 107201463 HBNTVCNYPCXGAT-APWZRJJASA-N 345.443 2.015 0 1 EEAF COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@H](C)O)c(F)c1 29128693 MLQVLQCUUQNCGW-JTQLQIEISA-N 349.333 2.415 0 1 EEAF CCCC[C@]1(O)C2=C3[C@H](CC[C@@H]3C[C@H]1C)N(C(C)=O)C(NC(C)=O)=N2 2356556570 GNCKPMVCKHRKOC-AONVYAMJSA-N 347.459 2.334 0 1 EEAF COc1cccc2c1[C@](O)(C(=O)O)[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 2356697563 VGWFYUHDOBADTL-OKDNKWQNSA-N 334.368 2.130 0 1 EEAF Nc1cccc(C(=O)N2CC(=O)N3CCCc4ccccc4[C@@H]3C2)c1 26170802 QGBITOJYBPRFKG-SFHVURJKSA-N 335.407 2.241 0 1 EEAF CC(C)n1nc(-c2cccc(NS(C)(=O)=O)c2)c2c(N)ncnc21 64516473 SSVLAVRFVKSIND-UHFFFAOYSA-N 346.416 2.028 0 1 EEAF O=C(CC1CCCCC1)N1C[C@H]2c3ccccc3CCN2C(=O)C1=O 73220007 MYOGSDZBZXHEMP-KRWDZBQOSA-N 340.423 2.452 0 1 EEAF COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2OC(C)=O)cc1 14728229 XSDXQNVJNSCZNC-MSOLQXFVSA-N 344.319 2.355 0 1 EEAF biogenic COCCN1C(=O)COc2ccccc2[C@H]1C(=O)NC1CCCCC1 199207463 KVPRDALJMKAORI-SFHVURJKSA-N 346.427 2.044 0 3 EEAF COc1ccc([C@H](N)c2nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]2)cc1 95587497 XEXJRQIFMJLDKP-KRWDZBQOSA-N 347.378 2.370 0 1 EEAF C[C@@H]1COCn2nncc2CC[C@H](Cc2cccc(Cl)c2)C(=O)N1 95661965 FXNGOKWXRNPNKR-TZMCWYRMSA-N 348.834 2.215 0 1 EEAF COC[C@H](C)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 261186317 XNXDBHAPSBKPAI-NSHDSACASA-N 340.387 2.485 0 1 EEAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(O)ncnc3[nH]2)cs1 587020324 NJTVSSKQEGRJCR-UHFFFAOYSA-N 348.388 2.453 0 1 EEAF COc1ccc2c(c1)CC[C@](N)(c1nc3cccc(C(N)=O)c3[nH]1)C2 587247735 YDUFJWBPFJXAJJ-LJQANCHMSA-N 336.395 2.013 0 1 EEAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(N)ncnc4[nH]3)cc2N1 587122193 AOSFJBYTUHXNKZ-FSPLSTOPSA-N 338.297 2.106 0 1 EEAF CCOC(=O)Cc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587777354 GZPZOMGDZQAGNT-UHFFFAOYSA-N 341.161 2.218 0 1 EEAF CC(=O)N[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580594 SMIDWNNCSCMMHW-JTDSTZFVSA-N 339.347 2.391 0 1 EEAF COC(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2n1 587927863 YNVOVEOEGATWOO-UHFFFAOYSA-N 327.340 2.353 0 1 EEAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H]([C@@H]3CCOC3)N12 962649575 XSHDKEVGRTULSE-VVFCZOMOSA-N 326.396 2.411 0 1 EEAF CCN1c2ncc(/C=C/C(=O)OC)cc2C(=O)N(C)c2cccnc21 5842185 CQGZGOVBDYINLW-BQYQJAHWSA-N 338.367 2.411 0 1 EEAF C[C@@H](N)c1cccc(NC(=O)c2ccoc2CN2CCOCC2)c1 167011268 KVEIKKQFXLWWMV-CYBMUJFWSA-N 329.400 2.384 0 1 EEAF CN1CCN(c2ccc(Nc3c4c(nc5ncnn35)CCC4)cc2)CC1 1857608705 SGWNWRUFNPMOAD-UHFFFAOYSA-N 349.442 2.108 0 1 EEAF CN1CCN(Cc2ccc(Cl)cc2Cl)[C@H](C2=NCCN2)C1 6096 QFCJEMBKXJNJTL-AWEZNQCLSA-N 327.259 2.111 0 1 EEAF C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)C1 6893606 ZYKHAOUSYJDULJ-CYBMUJFWSA-N 339.461 2.061 0 3 EEAF COc1cc(CC(C)=O)c(OC)cc1[135I] 101154194 FRNGNAZHWAHIDT-FSXFOQOESA-N 328.132 2.440 0 1 EEAF CCCn1c(=O)c2nc([C@@H]3C[C@@H]4C=C[C@@H]3C4)[nH]c2n(CCC)c1=O 100644826 LMZOGRHOEMOQIR-JHJVBQTASA-N 328.416 2.386 0 1 EEAF O=C(N[C@H](Cc1ccccc1)C(=O)O)C(=O)c1c[nH]c2ccccc12 26502150 KHOMXENRSFDVPK-MRXNPFEDSA-N 336.347 2.163 0 1 EEAF O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 64512447 HPAKCEYAQQECIE-VOAKCMCISA-N 343.301 2.200 0 1 EEAF CN1CCN(c2cc(NCc3cccc(Cl)c3)nc(N)n2)CC1 45350564 IDNARHXKZYLDTL-UHFFFAOYSA-N 332.839 2.076 0 1 EEAF Cn1nc([C@H]2CCCNC2)c2c(C(=O)NC3CC3)cc(C3CC3)nc21 71995128 RVNZIBXJAUZPKB-LBPRGKRZSA-N 339.443 2.205 0 1 EEAF COc1c(O)cc2c(c1O)C(=O)[C@@H](OC)[C@H](c1ccc(O)cc1)O2 14643883 JLVQQMHPARILRE-DOTOQJQBSA-N 332.308 2.143 0 1 EEAF biogenic CSc1ncc2ccc3c(C(N)=O)cn(C4CCNCC4)c3c2n1 144912475 ZWVHBACWMIHSNL-UHFFFAOYSA-N 341.440 2.330 0 1 EEAF CCCOC[C@@H]1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 95508181 GNQWCKIUKMJJJA-GFCCVEGCSA-N 346.349 2.142 0 1 EEAF C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C(=O)C[C@@H](C)C1=O 653840694 MMNCRRILEXDEAT-BDAKNGLRSA-N 328.290 2.427 0 1 EEAF O=C(C[C@H]1CCS(=O)(=O)C1)n1nc2cc1Oc1ccc(F)cc1-2 587875740 IAQFKSMALSGFEY-SECBINFHSA-N 336.344 2.260 0 1 EEAF CC[C@@H]1OCCC[C@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586907430 AMQSRKRQAYMSON-YPMHNXCESA-N 337.445 2.486 0 1 EEAF Ic1ccc2nc(C[C@H]3COCCO3)[nH]c2c1 586910508 PZAPCIYBHKZJND-VIFPVBQESA-N 344.152 2.125 0 1 EEAF Oc1cccc2c1OCC(c1nc3cc(-n4cnnn4)ccc3[nH]1)=C2 586908340 NDAVZHFEVQMZBL-UHFFFAOYSA-N 332.323 2.177 0 1 EEAF Cc1cccc(N)c1[C@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963521386 BRRIDTFKMCJTSP-LIRRHRJNSA-N 326.396 2.454 0 1 EEAF Cc1nc2c(c(=O)[nH]1)-c1cccc(I)c1CC2 13832470 UMGOZJYVLSYDDY-UHFFFAOYSA-N 338.148 2.449 0 1 EEAF C[C@H]1CN(CC(=O)NCCc2ccncc2)Cc2ccccc2O1 11791193 DRYVEISYFFMIFT-HNNXBMFYSA-N 325.412 2.023 0 1 EEAF C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COC[C@@H]1COc2ccccc2O1 11852162 QSWWVPTUDPLALI-QBPKDAKJSA-N 335.444 2.467 0 1 EEAF O=C(O)C1=CNN2C1=N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 13130366 NTHNIUYWFWSGDD-MNOVXSKESA-N 329.253 2.389 0 3 EEAF C[C@]12C(=O)O[C@@H]3Cc4c(ccc5ccoc45)[C@@]4(CC[C@@]1(O)OC4)[C@H]32 2356336156 HDJDBLLWQBRQMW-BMYMKOSGSA-N 326.348 2.287 0 1 EEAF CCOC(=O)[C@@H]1CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)C1=O 4108806 NOCOBKQJCCFUIL-OAHLLOKOSA-N 331.412 2.465 0 1 EEAF COc1ccc(-c2nc3cnc(N(C)C)nc3n(C3CC3)c2=O)cc1 4238764 FRCGIQYPWFDFJZ-UHFFFAOYSA-N 337.383 2.263 0 1 EEAF N[C@H](CCCCNC(=O)COc1ccc(Cl)cc1Cl)C(=O)O 103272327 FCYZQCWMUWZWEC-LLVKDONJSA-N 349.214 2.071 0 1 EEAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CC(=O)O 27641064 IDKLJIUIJUVJNR-DTSVSNLQSA-N 326.433 2.263 0 1 EEAF in-man O=CN(O)CC[C@H](c1ccc(Cl)c(Cl)c1)P(=O)(O)O 28572272 AJGPMMOCRYQLNY-SNVBAGLBSA-N 328.088 2.450 0 1 EEAF CCCCC[C@H](O)C=C[C@@H]1OC(=O)C[C@@H](O)[C@@H]1CC=CCC(=O)O 2356625530 PJAAKFHMQLYVGV-JONQDZQNSA-N 340.416 2.197 0 1 EEAF O=C(O)C[C@H]1COCCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 72153393 BUVCBMUNZITQCL-AWEZNQCLSA-N 337.803 2.464 0 1 EEAF C=CC(=O)N1CC[C@H](Nc2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1 1911577985 RCXJYPLURGYACL-LBPRGKRZSA-N 326.400 2.082 0 1 EEAF C[C@H](NC(=O)OC1CCCCC1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 36384087 QTOGVWKNZNBBNK-AMVBZWJASA-N 332.400 2.198 0 1 EEAF CC(C)c1cccc2c1NC(=O)[C@@]21N(C)CC[C@]12CN(C)CCC2=O 49072397 OTNYINMNXYBRAM-UXHICEINSA-N 341.455 2.184 0 1 EEAF CC(=O)O[C@H]1[C@H](OCc2ccccc2)O[C@H](C)[C@@]12COC(C)(C)O2 238764501 HRNWKZDPMOLOIP-UOUZQGKXSA-N 336.384 2.401 0 1 EEAF CCN(CC)c1cc[n+]([O-])c(-c2cc(N(CC)CC)cc[n+]2[O-])c1 238809214 MSWMKHPPCXYMIN-UHFFFAOYSA-N 330.432 2.313 0 1 EEAF CC(C)(C)OC(=O)NC1(c2nc3cc(N)ncc3[nH]2)CCC(=O)CC1 587234181 HOJFFWDQRYNXKO-UHFFFAOYSA-N 345.403 2.403 0 1 EEAF O=C(/C=C/c1nc2c(O)nc(S)nc2[nH]1)Nc1ccc(F)cc1 587167168 OHXDEUGCROPWEK-AATRIKPKSA-N 331.332 2.138 0 1 EEAF Cc1c(Br)cc2nc([C@@H](N)CP(=O)(O)O)[nH]c2c1C 586921399 FBXNWVOCHKANKV-QMMMGPOBSA-N 348.137 2.120 0 1 EEAF COc1ccc(C=O)c(-c2nc3c(S)nc(S)nc3[nH]2)c1OC 587796130 PHHVVRNEHLTUQC-UHFFFAOYSA-N 348.409 2.427 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@@H](C(=O)O)NC[C@@H]31)CC2=O 587479658 CPBQCRUBGWJRLB-ILODITOASA-N 345.395 2.131 0 1 EEAF CCOC(=O)[C@H](CCOC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442580 QZYWDQMXQNFICX-KSMMKXTCSA-N 348.395 2.417 0 1 EEAF NS(=O)(=O)c1cccc2nc(CCCCc3cccc(O)c3)[nH]c12 586896260 NHSJOQVHZCJBBQ-UHFFFAOYSA-N 345.424 2.481 0 1 EEAF CN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O 199598268 KPHQEEFTMCYNAX-UHFFFAOYSA-N 343.210 2.326 0 1 EEAF CC[C@](C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(N)=O 150074790 RQWVIHJCNAHLON-SFHVURJKSA-N 331.416 2.132 0 1 EEAF O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1ccc(Cl)cc1 169354795 XMUPOSDDOMAHDX-JKRUQDRFSA-N 349.770 2.019 0 1 EEAF Cc1ccc2nc3c(O)n(CCCN4CCOCC4)cnc-3c2c1 8579237 KCUHRGIWHRGIBE-UHFFFAOYSA-N 326.400 2.272 0 1 EEAF CCc1oc([C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)O)c(C)c(=O)c1C 2356645261 KDBDGPBVVUIYNX-HMECCHRJSA-N 338.400 2.209 0 1 EEAF O=c1cc(N2CCNCC2)c2cc(OCc3cccnc3)ccc2o1 28651141 XYRYMEXPJRFUEU-UHFFFAOYSA-N 337.379 2.177 0 1 EEAF O=C(NCCO)c1ccc(Nc2ncc(Br)s2)cc1 34987400 KKEQVLKXFRTVRA-UHFFFAOYSA-N 342.218 2.371 0 1 EEAF CCOC(=O)c1cc(-c2ccc(NC(=O)CCC(=O)O)cc2)[nH]n1 72126934 BYETUEXKCBQKFC-UHFFFAOYSA-N 331.328 2.057 0 1 EEAF COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)/C=C\[C@H](C)[C@H](C)OC2=O 49113145 NAWYJXUUEIIVTF-ZRDRNBNXSA-N 348.395 2.277 0 1 EEAF COc1c(O)ccc2c1O[C@@H]1c3cc(O)cc(O)c3CO[C@@H]1C2=O 15265609 AKYWPKJOMUJLSP-NVXWUHKLSA-N 330.292 2.027 0 1 EEAF biogenic Nc1nc(Cc2ccsc2)nc2c1nnn2C[C@H]1CCCCO1 84712227 GSXGVQAFYRIVCG-LLVKDONJSA-N 330.417 2.025 0 1 EEAF O=C(c1cccnc1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 377829922 CLTIQWYEYXZHRK-UHFFFAOYSA-O 326.723 2.010 0 1 EEAF COC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(C)cc1 587559732 MMCYNTNFVCIKGC-UHFFFAOYSA-N 325.324 2.127 0 1 EEAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cnncc4[nH]3)cc12 587037503 JMKCPEJKIPMIEV-MRVPVSSYSA-N 341.400 2.101 0 1 EEAF CN(c1ccc(-c2csc(CC(N)=S)n2)cc1)S(C)(=O)=O 587923975 VWPPHSRKHGWEDL-UHFFFAOYSA-N 341.483 2.035 0 1 EEAF COC(=O)c1cc2[nH]c(-c3cccc(N)c3C(=O)O)nc2cc1OC 587248240 JCOSMRPIXYMXDL-UHFFFAOYSA-N 341.323 2.306 0 1 EEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCO3 586962996 WDVWYVBLXUBMJN-LURJTMIESA-N 331.357 2.223 0 1 EEAF CCO[C@@H]1C[C@@]2(NCCc3c2c(C(C)C)nn3C)[C@H]1n1cccn1 962903356 AGAZWIBLKRXDIM-JLSDUUJJSA-N 329.448 2.131 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2ccon2)N1 962641597 PQEKGCFCUDIDPA-CABZTGNLSA-N 328.246 2.262 0 1 EEAF c1cc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)ccn1 1772651979 HKEYBHDQWXZWSU-UHFFFAOYSA-N 333.399 2.380 0 1 EEAF CCOC(=O)c1ccc(C)c(CCn2cnc3c2NC=NC[C@H]3O)c1 13807662 DCJRIALZFIPCSY-OAHLLOKOSA-N 342.399 2.098 0 1 EEAF CC(C)[C@@H]1[C@H](O)[C@H](O)[C@@H]2[C@@H]3OCC4=C3[C@](C)(CC[C@@H]4O)CC[C@@]12C 2356356937 FEEKQAGOFRYSCP-VQLHEVDTSA-N 336.472 2.267 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C[C@H](C(C)=O)[C@H]1C[C@@H]23 2356397547 DHAOEWPYRANXCZ-RJEFXAGKSA-N 338.407 2.090 0 1 EEAF Cc1ccc2c3ncn(CCCN4CCOCC4)c(O)c-3nc2c1 8580168 NHMHELXCNZONIH-UHFFFAOYSA-N 326.400 2.272 0 1 EEAF O=C(OCC(=O)N(N1CCCCC1)N1CCCCC1)c1ccccc1 27520097 XUKMMANUIVCRNA-UHFFFAOYSA-N 345.443 2.474 0 1 EEAF CCOc1ccccc1CNC(=O)c1nc(C(C)(C)C)[nH]c(=O)c1O 29048177 BKHJHHIIMXQCTK-UHFFFAOYSA-N 345.399 2.102 0 1 EEAF Cc1cccc(CNc2nc(N3CCC(C(N)=O)CC3)ncc2C)c1 82203471 ITOLAXGUTPXCGQ-UHFFFAOYSA-N 339.443 2.407 0 1 EEAF Nc1nc(Cc2ccsc2)nc2c1nnn2C[C@@H]1CCCCO1 84712225 GSXGVQAFYRIVCG-NSHDSACASA-N 330.417 2.025 0 1 EEAF O=C(O)COCC(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 299819986 BUTMQTWJYZCUCW-UHFFFAOYSA-N 343.314 2.409 0 1 EEAF CCc1cc(=Nc2nc(N3CCC(N)CC3)nc3ccsc23)[nH][nH]1 473168018 JCYDKLPWPCRSFA-UHFFFAOYSA-N 343.460 2.070 0 1 EEAF O=C1C=C2C(I)=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 653914436 XOWDILQYWDRVHP-DYLAAIIWSA-N 343.164 2.168 0 1 EEAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(C(=N)N)cc2[nH]1 587043493 RPEQLSYCBBOJFY-LBPRGKRZSA-N 331.445 2.467 0 1 EEAF Nc1nc(O)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2n1 587032587 LERXLDWRMBEWAW-UHFFFAOYSA-N 338.396 2.649 0 1 EEAF COc1ccc(S(=O)(=O)NC[C@@H](O)/C=C/c2ccccc2)cc1 204414216 CQGPPHUKYJDTKC-KIUWMYQTSA-N 333.409 2.048 0 1 EEAF CCN(CC)CCNC(=O)c1cn(C)c2cc(Cl)ccc2c1=O 221233101 HTKGVGAIGVKZMD-UHFFFAOYSA-N 335.835 2.264 0 1 EEAF O=C1CC[C@]23Cc4ccc(O)cc4[C@@]2(CCN(CC2(O)CC2)C3)C1 169370832 HIXLAMQESUHGDK-UYAOXDASSA-N 327.424 2.156 0 1 EEAF CN1CC(=O)N2[C@H](c3ccco3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 1857653827 CBSBHMXRBOEGFC-RDTXWAMCSA-N 335.363 2.076 0 1 EEAF CC1=C2C(=C[C@]3(O)C(=O)CC[C@H](C)[C@@]3(C)[C@@H]2OC(=O)C(C)C)OC1=O 2356390919 GUIUSCZLHIXZMW-GLPXJIDDSA-N 348.395 2.061 0 1 EEAF C[C@H]1CN(C(=O)[C@@H](C)OC(=O)c2ccc3ncsc3c2)C[C@H](C)O1 6530551 DYJSAKGFKYWUJB-SDDRHHMPSA-N 348.424 2.477 0 1 EEAF CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 101272434 ZQTYSHNSWFSRTJ-OXLLEHAKSA-N 348.487 2.127 0 1 EEAF N[C@@]1(C(=O)O)[C@@H](C(=O)O)[C@H]2C[C@@H](CCc3ccc(Cl)cc3)[C@H]1C2 101367333 YLNGRMQAPFTYDR-VVFHAYQLSA-N 337.803 2.412 0 1 EEAF CCc1nnc(SCC(=O)N2CCc3[nH]nc(C4CCC4)c3C2)o1 23506582 XVCLQSHLTMAKJH-UHFFFAOYSA-N 347.444 2.300 0 1 EEAF O=C(NC[C@@H]1CCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 118676256 NJKUDKWJZPVSAI-SNVBAGLBSA-N 342.424 2.336 0 1 EEAF Cc1ccc(N2CCC(C(=O)O)(n3ccc(C(C)C)n3)CC2)nn1 72408003 JLZJYAOMUZKZSY-UHFFFAOYSA-N 329.404 2.185 0 1 EEAF CC(=S)NC[C@H]1CN(c2ccc(-c3nc(C)no3)cc2)C(=O)O1 96928825 AOLIBQFMGZKCNT-ZDUSSCGKSA-N 332.385 2.307 0 1 EEAF CN(C)c1ncc(-c2ccc(NC(=O)[C@@H]3CCCCN3)cc2)cn1 299849902 KUXROEYWCYHVEO-INIZCTEOSA-N 325.416 2.290 0 1 EEAF COc1ccc2c(c1)CC[C@@](N)(c1nc3nc(Cl)c[nH]c-3n1)C2 587246647 IHGALAQQVUIDRE-INIZCTEOSA-N 329.791 2.309 0 1 EEAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3ncnc(N)c3[nH]2)s1 587023300 MWWASLMSUJRXOO-UHFFFAOYSA-N 333.377 2.406 0 1 EEAF COC(=O)CC[C@H](C(=O)OC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397703 ANBJSIQEKHBJMD-KZULUSFZSA-N 349.383 2.044 0 1 EEAF CCOC(=O)[C@@]1(c2c(C)cccc2C)c2c(cnn2C)CCN1C 963954946 NCTRVUJOLDMMBP-LJQANCHMSA-N 327.428 2.332 0 1 EEAF Cc1ccnc2c1CCN[C@@]2(CC(=O)c1cnn(C)c1)C(F)(F)F 963075509 SHQKRXQRGOTTOL-OAHLLOKOSA-N 338.333 2.300 0 1 EEAF CCNC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12 1857596891 JPFWEZKZEWRVRM-UHFFFAOYSA-N 344.802 2.261 0 1 EEAF Cc1cc(O)nc(-n2ccc(C(=O)N3c4ccccc4C[C@H]3C)n2)n1 1857741901 ZTHQGONJXBLVPJ-GFCCVEGCSA-N 335.367 2.268 0 1 EEAF COC(=O)[C@H](Cc1ccc(OC)cc1O)NC(=O)OC(C)(C)C 1863562 NEBYRAXMNWNRMO-LBPRGKRZSA-N 325.361 2.010 0 1 EEAF Cn1ccnc1CN1C[C@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 2356300892 ZLWZNQAQBSIAAB-WFASDCNBSA-N 329.379 2.036 0 1 EEAF Ic1nc2cncnc2n1Cc1ccccc1 6581006 BPAHWHJCLRUJOT-UHFFFAOYSA-N 336.136 2.479 0 1 EEAF CC(=O)OC[C@@H]1O[C@@H](c2ccc(C(C)=O)cc2)C=C[C@H]1OC(C)=O 7992093 BKSSBIOYXWUVQT-KURKYZTESA-N 332.352 2.380 0 1 EEAF CC(=O)Oc1cccc([C@H](C)n2cnc3c(N(C)C)ncnc32)c1 29552114 VSRUPZFMTACYEZ-NSHDSACASA-N 325.372 2.427 0 1 EEAF CC1(C)C[C@H](O)C[C@]2(C)[C@@H]1C[C@H](O)[C@]1(O)C[C@H]3C[C@@]12CC[C@]3(C)O 2356698389 UICCWCWMTBQVAX-OFBPXGSNSA-N 338.488 2.227 0 1 EEAF [O-][n+]1c2ccccc2c2n1CCN1CCO[C@@]21c1ccc(Cl)cc1 36389438 YXSQPKPLLJAPHJ-SFHVURJKSA-N 341.798 2.475 0 3 EEAF CC(C)c1ccc(N2C(=O)N[C@@H]3CCN(C(=O)C4CC4)[C@@H]3C2=O)cc1 4260687 RUUSGCXOAXUTEX-CVEARBPZSA-N 341.411 2.246 0 1 EEAF biogenic Oc1ccc([C@@H]2OC[C@@H]3[C@@H](c4cc(O)c(O)c(O)c4)OC[C@H]23)cc1O 14641294 YUZGPDHHZODDAB-JLMKVHRTSA-N 346.335 2.290 0 1 EEAF biogenic Cc1ccc(C[C@H](N)C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1 84689297 NTZHGDLSLGWDGT-KRWDZBQOSA-N 348.406 2.254 0 1 EEAF CCOC(=O)C1=C(O)[C@H]2[C@H]3C(O)=C(C(=O)OCC)[C@@H]4[C@@H]1[C@@H]1[C@@H]2C[C@@H]3[C@@H]41 263596888 GDMNLDOPKZZEJL-AUXONMFJSA-N 346.379 2.125 0 1 EEAF CCOC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@]12C(=O)N(C(C)=O)c1ccccc12 653880660 JRGDFVNHEOLBRL-UESRRSCYSA-N 325.364 2.203 0 1 EEAF CCOC(=O)C(=O)C[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444089 XYDXYDUPDNWSSX-BFUOFWGJSA-N 346.379 2.360 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nn2)N1 587760696 PXTMOBJDCUVFDO-UHLUBPPHSA-N 325.185 2.340 0 1 EEAF CC(=O)c1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1 586934907 ANWFQWQCOXOOPD-UHFFFAOYSA-N 346.412 2.447 0 1 EEAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cnc(N)cc2[nH]1 587040006 YOUYONHXXOJION-UHFFFAOYSA-N 333.377 2.406 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN[C@@H](C(=O)O)[C@H]2C1 587481653 GWZHPCTVXOSPHW-ZRUOUTDISA-N 345.395 2.131 0 1 EEAF O=c1oc2cccnc2n1Cc1cn(-c2ccccc2Cl)nn1 914431383 DVUFHXDFLFFOFE-UHFFFAOYSA-N 327.731 2.272 0 1 EEAF CCc1cc(NCCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C 5887150 VZOHOCRUFIYIQX-UHFFFAOYSA-N 339.395 2.344 0 1 EEAF Cc1onc2c(=O)n(CCC(=O)O)nc(-c3ccc(Cl)cc3)c12 13797618 DVNGOELGUHQMGN-UHFFFAOYSA-N 333.731 2.488 0 1 EEAF O=c1[nH]c2nc(-c3ccccc3)[nH]c2c(=O)n1CCc1ccccc1 13833547 SIVONQXMNJQILX-UHFFFAOYSA-N 332.363 2.323 0 1 EEAF CCNC(=O)N1CC[C@H]2CC(=O)N(Cc3ccccc3)CC[C@H]2C1 15672974 HKCZQKMYNZOCHQ-IRXDYDNUSA-N 329.444 2.477 0 1 EEAF biogenic C[C@@H](NC(=O)OC1CCCCC1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 169294134 QTOGVWKNZNBBNK-ZZVJUGKHSA-N 332.400 2.198 0 1 EEAF CO[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1C(O)(c1ccccc1)c1ccccc1 1857543332 PTGGROLWBXCEKT-LULLPPNCSA-N 340.375 2.020 0 1 EEAF O=C1NC(Cc2ccccc2)=N[C@H]2[C@H]1N=CN2CCc1ccccc1 1857566901 RCJMDIUPBUMMMA-RTBURBONSA-N 332.407 2.039 0 1 EEAF C=CS(=O)(=O)Nc1nc(-c2sc(NC(C)=O)nc2C)cs1 1857618405 ZACBDYXCOJIDOO-UHFFFAOYSA-N 344.443 2.419 0 1 EEAF CC[C@H]1NC(=O)OC12CCN(C[C@H]1COc3ccccc3O1)CC2 28761398 VVMCXYYGSYAMPN-XJKSGUPXSA-N 332.400 2.179 0 1 EEAF CCOc1ccc([C@@H]2/C(=C(\O)OC)C(C)=Nc3nnnn32)cc1OC 104026428 KEEMSLUGDIGHKZ-SXWSKBOKSA-N 345.359 2.192 0 1 EEAF COc1cccc(CCc2nc(C)c(O)c(C(=O)O)c2C(=O)O)c1 103241296 DXKKUHZOAHBVQF-UHFFFAOYSA-N 331.324 2.286 0 1 EEAF O=C1C[C@H](O)[C@@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]12 27898545 GREJPBKWGASYSC-XOYOTBSWSA-N 332.396 2.350 0 1 EEAF CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(C3CCN(C)CC3)C1)C2 2356827934 IQTOPHYYBHXLKJ-RDJZCZTQSA-N 327.472 2.395 0 1 EEAF COc1ccc2sc(NC3=NC[C@]4(CN5CCC4CC5)N3)nc2c1 210852151 RDSAZNGIGOGIEO-QGZVFWFLSA-N 343.456 2.140 0 1 EEAF C[C@H](C(N)=O)N1CCOc2cc(OCc3ccccc3F)ccc2C1 1911583224 LATOVHLPFLETOV-CYBMUJFWSA-N 344.386 2.473 0 1 EEAF CC(=C/CO)/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]21C 85993074 RMAJUEUHZWCNQM-BYJSEQGWSA-N 338.488 2.416 0 1 EEAF in-man Cc1cccc(-c2ccc3c(c2)C(=O)N2CCNC[C@H]2C(=O)N3)c1C 25205034 KOUUAUFFBPXDQI-SFHVURJKSA-N 335.407 2.337 0 1 EEAF biogenic Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](NS(C)(=O)=O)CC1 254133953 GSYNORKHWRXRTP-HAQNSBGRSA-N 347.444 2.254 0 1 EEAF CNC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587743780 PPKOBMMKJRLLDI-XLKFXECMSA-N 329.213 2.474 0 1 EEAF CN[C@@H](c1cccnc1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587224979 JDGQBCIXTSHDKS-SFHVURJKSA-N 348.410 2.022 0 1 EEAF N[C@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccccc1Cl 587059726 UQMHZNMGNAUFSH-CYBMUJFWSA-N 339.790 2.435 0 1 EEAF CC(=O)OCCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587393217 ZVKFOVSEKVPDGV-INIZCTEOSA-N 329.356 2.043 0 1 EEAF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1 2502471 RVROBJPRHWXROW-UHFFFAOYSA-N 336.394 2.399 0 1 EEAF Cn1cnc(C(=O)N(Cc2cccc(Cl)c2)C[C@@H]2[C@H]3CNC[C@H]32)c1 101270902 QSFJWJIJRKTTAK-ZSHCYNCHSA-N 344.846 2.181 0 1 EEAF CC(=O)Nc1nc(C(=O)Nc2cncnc2N2CCCCC2)cs1 103237644 MXXFUFZWJWCBPN-UHFFFAOYSA-N 346.416 2.134 0 1 EEAF COc1c(C)cnc(C[S@@](=O)c2nnc(-c3cccn3C)o2)c1C 26647881 KMIJQJLRKWRMAS-DEOSSOPVSA-N 346.412 2.403 0 1 EEAF COC(=O)CCc1c(O)nc(C)c2c(OC)c(OC)c(OC)cc12 28769435 KPCQRIQHJHYRND-UHFFFAOYSA-N 335.356 2.380 0 1 EEAF OCC[C@H]1CN(Cc2ccccn2)CCN1Cc1ccc(F)cc1 20780414 OOQAVJZCFIKHRF-IBGZPJMESA-N 329.419 2.290 0 1 EEAF Cc1ccnc(NC(=O)c2ccc3nc4n(c3c2)CCCNC4=O)c1 147127374 SMUQHDGUBPGZGE-UHFFFAOYSA-N 335.367 2.126 0 1 EEAF O=C(O)C(=O)CC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605107 XJDJYSLHBGKWBM-DZGCQCFKSA-N 342.303 2.156 0 1 EEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Cl)cc(F)c2[nH]1 587204910 UTUFPUVULRTJKL-LLVKDONJSA-N 340.786 2.434 0 1 EEAF COC(=O)[C@@H]1COCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587529998 AGHWTICXVDPEGK-KXBFYZLASA-N 330.380 2.479 0 1 EEAF CCC12CNCC(CC)(CNC1)C21NCCc2cc(C)c(F)cc21 962092989 OGKMYOAEAHQQTO-UHFFFAOYSA-N 331.479 2.474 0 1 EEAF COc1cc2c(cc1OC)[C@]1(c3ncccc3C[C@H]1N)N(C)[C@@H](C)C2 962574269 UBRKPZYSPYYJIE-UOXRKKOCSA-N 339.439 2.102 0 1 EEAF COc1cc2c(cc1OC)[C@]1(c3ncccc3C[C@H]1N)N(C)[C@H](C)C2 962574262 UBRKPZYSPYYJIE-LIUKBUMOSA-N 339.439 2.102 0 1 EEAF CC1(C)[C@H](O)C(=O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 5963974 PDTSXGBDZWSUTI-YFFOHKSQSA-N 336.472 2.292 0 1 EEAF COc1ccc(/C=C/C(=O)NC[C@@H](O)c2ccc(OC)c(O)c2)cc1 14614812 KRCDWJIBLHXTBK-JSNVTFDYSA-N 343.379 2.272 0 1 EEAF O=C(O)c1ccc(NC(=O)c2cc3cccc(O)c3oc2=O)cc1 58511877 ROQWMVOMAMEYEK-UHFFFAOYSA-N 325.276 2.449 0 1 EEAF Cn1ccnc1CN1C[C@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356474367 OTWCIWAXZDYGBI-WFASDCNBSA-N 347.369 2.175 0 1 EEAF O[C@@H]1C=C[C@@H]2O[C@H]3C[C@@H](O)[C@@H]1[C@H]2C31Oc2cccc3cccc(c23)O1 2356541999 JZDCBWJRBIWSGA-UNPNLBQMSA-N 338.359 2.002 0 1 EEAF C[C@@H](C(=O)O)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 2356552609 WYMRLQWRNAUXEL-TWRYWWQQSA-N 347.411 2.326 0 1 EEAF COc1ccc(C2=NNC(=O)C[C@H]2C)n2cc(C(F)(F)F)nc12 73199685 VHLHTLHAKRYYNU-SSDOTTSWSA-N 326.278 2.222 0 1 EEAF CN1CCN(C(=O)c2cn(Cc3ccccc3)c3ncccc23)CC1 72322957 QPIGTDKFMRCHQV-UHFFFAOYSA-N 334.423 2.472 0 1 EEAF COc1cc2c(c(OC)c1OC)[C@H](O)O[C@@H]1CC=C3CCN(C)[C@H]3[C@@H]21 14613456 MNAREALDHXFRFJ-MGPHVCOZSA-N 347.411 2.220 0 1 EEAF biogenic CC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@@H](C)[C@](O)(c4ccccc4)[C@@H](C[C@@]1(C)O)N32 238732382 DCDDFWOASGCFGZ-KVFBLSPHSA-N 343.467 2.476 0 1 EEAF CC1CCN(C(=O)[C@H]2CC[C@H]3[C@@H](CCN3c3ncc(F)cn3)O2)CC1 299842898 JWUQBYJZOFLWLT-ARFHVFGLSA-N 348.422 2.001 0 1 EEAF CC1=C(c2ccc3[nH]c(-c4cccnc4N(C)C)nc3c2)NNC(=O)C1 587195175 CNBZZUSCKUYFGO-UHFFFAOYSA-N 348.410 2.446 0 1 EEAF C=CC(=O)Nc1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1 587244701 RUEGPFLHUBBHHP-UHFFFAOYSA-N 342.380 2.002 0 1 EEAF O=C(O)[C@H]1C(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@@H]1C(=O)O 587971156 VBBIMHKYDVYGEH-IUCAKERBSA-N 332.209 2.220 0 1 EEAF Nc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c2ccccc2n1 587254605 VPVMBPOSAKPYRN-UHFFFAOYSA-N 328.339 2.336 0 1 EEAF CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 12300772 JYQCUIQUYPJKJJ-NSHDSACASA-N 344.390 2.061 0 3 EEAF Cc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)COC2=O)cc1 169307505 DXIFWWUDOXUTQH-UHFFFAOYSA-N 329.377 2.110 0 1 EEAF COc1ccc(C(=O)O[C@@H]2C[C@H]3C[C@H](OC(C)=O)[C@@H](C2)N3C)cc1 58550572 XAFSVSVXERZSBU-SVGFKBNWSA-N 333.384 2.019 0 1 EEAF N#C[C@@H]1CCOC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 204985799 PMXSQTYWBDXQET-IINYFYTJSA-N 345.790 2.480 0 1 EEAF CCOc1ccc(/C=C2\SC(=O)N(CCNC(C)=O)C2=O)cc1 45258757 OYUHAIFMHYISSY-UVTDQMKNSA-N 334.397 2.258 0 1 EEAF COc1cc2ccc(=O)oc2cc1OC[C@H](O)CN1CCCCC1 95592100 WUZSUNSKAZHKRW-CQSZACIVSA-N 333.384 2.027 0 1 EEAF CNC(=O)C1(CCCc2ccccn2)CN(Cc2scnc2C)C1 299850455 HFSZFGZALJNOHM-UHFFFAOYSA-N 344.484 2.417 0 1 EEAF O=C1CCc2cc3nc(CS(=O)(=O)C4CCCC4)[nH]c3cc2N1 586924161 JPYBKQMABSHYCG-UHFFFAOYSA-N 333.413 2.305 0 1 EEAF Cc1ccnc2[nH]c(Cc3nnc(NC(=O)OC(C)(C)C)s3)nc12 587024035 KZJCDZQPSTVBRS-UHFFFAOYSA-N 346.416 3.056 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1cn(Cc4cccnc4)nn1)[C@@H](C2)C3=O 587439567 VIOCNRZSKDFGAH-IFXJQAMLSA-N 348.362 2.219 0 1 EEAF COc1ccc(Br)c([C@@H]2c3nn(C)cc3CCN2C)n1 963953879 DUYHTQYRYDWBJH-AWEZNQCLSA-N 337.221 2.164 0 1 EEAF COc1ccc(C2=NN(CCCO)C(=O)CC(C)(C)C2)cc1OC 1772645223 HRKLKBXBIGHLIE-UHFFFAOYSA-N 334.416 2.439 0 1 EEAF COC(=O)c1ccc(C)c(CCCn2cnc3c2NC=NC[C@@H]3O)c1 13807716 YFZDIPSQZMNRAS-HNNXBMFYSA-N 342.399 2.098 0 1 EEAF CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758477 PKTCEVHCHKHMSR-ZBFHGGJFSA-N 346.427 2.415 0 1 EEAF CCOC(=O)C1=C(O)C(=O)N(Cc2ccc(Br)cc2)C1 25973163 TXJZMRCYLQHSHU-UHFFFAOYSA-N 340.173 2.167 0 1 EEAF C[C@]1(CO)C(=O)CC[C@]2(C)[C@@H]3C[C@H]4CC[C@@]3(CC[C@@H]12)C[C@]4(O)CO 2356382946 SYLBWUCYLWBMER-SPNSKPFCSA-N 336.472 2.294 0 1 EEAF COc1cc(C2=NN[C@@H](c3ccc(F)cc3)[C@@H]2O)cc(OC)c1OC 28462232 LCNKRCCSBKDQRI-RDJZCZTQSA-N 346.358 2.261 0 1 EEAF C[C@@]12CCC(=O)[C@@](C)(CO)[C@H]1CC=C(CO)[C@H]2CCC1=CCOC1=O 73277313 CRVVDVXDWIDZKB-LPWQTFTOSA-N 348.439 2.172 0 1 EEAF COc1ccc([C@@H]2COc3cc(O)cc(O)c3C2=O)c(OC)c1O 14645820 WGOWHNMEQADXHD-JTQLQIEISA-N 332.308 2.180 0 1 EEAF biogenic O=[N+]([O-])OCCNCCNc1c2c(nc3ccccc13)CCCC2 40848290 BVXJRJBJOXPGLJ-UHFFFAOYSA-N 330.388 2.323 0 1 EEAF C[C@@]12CC=C3NC(=O)C=C3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 138041361 LFQHFBNBQFFFGO-WOBOPYLOSA-N 329.440 2.276 0 1 EEAF COc1ccc(CN2[C@@H](C)[C@@H]3C(C)=C[C@H]2[C@H]2C(=O)N(C)C(=O)[C@H]32)cc1 95784910 YMMQFFFORAWLFT-VDMKFOLZSA-N 340.423 2.075 0 1 EEAF COc1ncccc1CN1Cc2nccn2C[C@H](CN2CCCC2)C1 96188356 CZBLAZPTNMCHHY-MRXNPFEDSA-N 341.459 2.015 0 1 EEAF CN(C)[C@H]1CCN(C(=O)Cc2cccs2)[C@@H]1Cc1ccncc1 299842427 QTGKQJAATXYPHT-DLBZAZTESA-N 329.469 2.459 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cccc(F)c41)[C@@H](C2)C3=O 587429807 WXVAYDXSZVZRKU-YPMLDQLKSA-N 325.295 2.429 0 1 EEAF CC(C)(C)OC(=O)NC1(c2nc3ccnc(O)c3[nH]2)CCC(O)CC1 587236693 FGOCCMNHBIEYRW-UHFFFAOYSA-N 348.403 2.318 0 1 EEAF Cn1nc(-c2nc3ccc(Br)c(O)c3[nH]2)c(F)c1O 587154278 BMFJPDDPLALPOI-UHFFFAOYSA-N 327.113 2.276 0 1 EEAF N=c1[nH]c2nc([C@@H](CN)Cc3ccc(Cl)cc3)nc-2c(Cl)[nH]1 587071282 ZDEOQRZZVUZGAN-MRVPVSSYSA-N 337.214 2.309 0 1 EEAF Nc1ncc(-c2nc3c(O)ncnc3[nH]2)c(-c2ccccc2Cl)n1 587061584 VUDSFIUZTRFROC-UHFFFAOYSA-N 339.746 2.418 0 1 EEAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cncnc3[nH]2)cc1 587244465 JGWHNHPDRHEUEC-UHFFFAOYSA-N 334.339 2.492 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cnc3[nH]cnc(Cl)c2-3)N1 962922245 PMGNIRWXEPKTKR-GXFFZTMASA-N 346.749 2.390 0 1 EEAF [C-]#[N+]c1ccc(N2CC[C@@H](OC(=O)N3CCN(C(C)C)CC3)C2)nc1 1772628240 TUUSBZUKUHQKJI-MRXNPFEDSA-N 343.431 2.374 0 1 EEAF COc1ccc(OC)c(Cc2cc(C)c3c(N)nc(N)nc3n2)c1 11616924 PYADFMPOFKJANK-UHFFFAOYSA-N 325.372 2.106 0 1 EEAF in-man COc1ccc(CCNC(=O)/C=C\c2ccc(O)c(OC)c2)cc1O 14488407 ACSWAJLDOHJFNA-YVMONPNESA-N 343.379 2.487 0 1 EEAF biogenic,in-vitro CS(=O)(=O)c1n[nH]c(-c2ccccc2OCc2ccccc2)n1 1857638226 FEUOCKWSDCMVKH-UHFFFAOYSA-N 329.381 2.454 0 1 EEAF Cc1ccccc1C(=O)N[C@@H]1[C@H](c2ccccc2C)C[C@@H](O)[C@H]1O 2356286811 QTMROYXMPCOLGZ-WJFTUGDTSA-N 325.408 2.311 0 1 EEAF CS(=O)(=O)c1ccc([C@@H](CO)[C@H](C(=O)O)c2ccccc2)cc1 26579308 BBBDYOCLJIKLKC-HZPDHXFCSA-N 334.393 2.034 0 1 EEAF CCOCCN1CCN(C[C@]2(c3ccc(F)cc3)CCOC2)CC1 20135068 SZHMCYXQLACWCJ-LJQANCHMSA-N 336.451 2.138 0 1 EEAF CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2O)cc1)C(=O)O 28563355 CNOWBJGWCQRENI-MRXNPFEDSA-N 349.408 2.447 0 1 EEAF O=C(NC[C@@H]1COCc2nc3cccnc3n21)c1ccc(F)cc1 2356510075 NBWYXVVUMPQTMT-CYBMUJFWSA-N 326.331 2.072 0 1 EEAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccccc1 2356597410 GSIPYUVMTWKRAX-OTWHNJEPSA-N 329.488 2.469 0 1 EEAF COC(=O)C1=CC(O)=C[C@H]2Oc3cc(C)c(Cl)c(O)c3C(=O)[C@H]12 2356804821 VANAINQFHHJRDO-GHMZBOCLSA-N 336.727 2.469 0 1 EEAF CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2)CC1 61904219 MZGKCAQYFRKGDU-ZDUSSCGKSA-N 334.416 2.082 0 3 EEAF Cc1cnc(N2CCN(C)CC2)nc1NCCNc1ccccc1 82202298 CLIKVIRZDKFZKV-UHFFFAOYSA-N 326.448 2.061 0 1 EEAF C[C@@H](NC(=O)c1nc(-c2cnccn2)nc(O)c1O)C1CCCCC1 84708337 INECGGBSBNNSNJ-SNVBAGLBSA-N 343.387 2.043 0 1 EEAF CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(CC)CC1 199216987 QXWWVSLZEACAFU-KRWDZBQOSA-N 328.464 2.200 0 3 EEAF CS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N)CC2 143190216 SLLDGNRMACWAFH-RTBURBONSA-N 344.480 2.336 0 1 EEAF Cn1cc(-c2ccccc2C(=O)N2CCOCC2)c2cc[nH]c2c1=O 146393481 XAYJEYRRJGLAKV-UHFFFAOYSA-N 337.379 2.006 0 1 EEAF CS(=O)(=O)c1ccc([C@@H]2OCC(=O)N2Cc2ccccc2)cc1 98084308 JBTXKNFEDYAWGR-KRWDZBQOSA-N 331.393 2.148 0 1 EEAF CC1=C(c2ccc3nc(C[C@@H]4CCC(=O)[C@@H]4C)[nH]c3c2)NNC(=O)C1 587961132 DIRZCPIHPIGZSF-NEPJUHHUSA-N 338.411 2.476 0 1 EEAF COc1cc2c3c(c1)O[C@]1(C=C(C)N(C4CC4)C(=O)C1)[C@@H](C2)C3=O 587438514 PMRHKBZSJGOSSF-LIRRHRJNSA-N 325.364 2.480 0 1 EEAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(O)ncnc2[nH]1 587078964 DTCKPKKMUCLTCA-JTQLQIEISA-N 328.763 2.436 0 1 EEAF CCOC(=O)C(=O)C[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442978 SCNDNOOXQGDQDR-KZULUSFZSA-N 332.352 2.114 0 1 EEAF NC(=O)c1cccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c12 587164004 WZIDCHPXVQMIAM-UHFFFAOYSA-N 326.331 2.372 0 1 EEAF FC(F)c1c(-c2nc3cc4cn[nH]c4cc3[nH]2)cnc2ncnn12 587128022 FLTAUTPPYODOFY-UHFFFAOYSA-N 326.270 2.482 0 1 EEAF CC1([C@]2(C)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)COC1 962646116 WMJKVSVFPIABCC-IUODEOHRSA-N 345.317 2.436 0 1 EEAF CCc1cnc2c(c1Nc1ccc(C)c(F)c1)c(=O)n(C)c(=O)n2C 12227167 BMBUOBKFPYUTCH-UHFFFAOYSA-N 342.374 2.386 0 1 EEAF Cc1ncc(C=O)c(CNNc2ccc(C(F)(F)F)cn2)c1O 169690332 QMMWWMHLTDQVAD-UHFFFAOYSA-N 326.278 2.439 0 1 EEAF C[C@@H](NCc1ccco1)C(=O)N1CCN(c2ccc(F)cc2)CC1 201467523 WSDUCNZJBUJOOK-CQSZACIVSA-N 331.391 2.246 0 3 EEAF CSc1ncc(C(=O)Nc2ccc(F)cc2)c(N2CCOCC2)n1 1857770877 HFLBKYAADQRKAN-UHFFFAOYSA-N 348.403 2.427 0 1 EEAF Cc1c(-c2cccs2)nn2c(=O)c3c([nH]c12)CN(C(=O)C1CC1)C3 19557637 UXJVVUKIRWJPMC-UHFFFAOYSA-N 340.408 2.312 0 1 EEAF O=C(c1ccno1)N1C[C@@H](F)[C@H](OCc2nc3ccccc3o2)C1 2356298897 ISYZAQUKOTYRNY-QMTHXVAHSA-N 331.303 2.195 0 1 EEAF CC(=O)OCc1cccc(-c2cc(=O)cc(N3CCOCC3)o2)c1 101078481 GVEJRRAICRHTRI-UHFFFAOYSA-N 329.352 2.207 0 1 EEAF CC(=CCOc1ccc2ccc(=O)oc2c1)C[C@H]1C=C(CO)C(=O)O1 2356605012 NYBMIJVQEQCOLI-INIZCTEOSA-N 342.347 2.352 0 1 EEAF CO[C@@H]1O[C@@H](O)[C@@H]2[C@H](C)N3[C@H]4C[C@H]2[C@H]1[C@@H]3Cc1c4[nH]c2ccccc12 2356709370 ALUUTSZMHKEPEI-IMEYDCAASA-N 340.423 2.411 0 1 EEAF CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCc3ccccc3)n2)C1 82203259 ZHYRFGPIIRFSQE-MRXNPFEDSA-N 325.416 2.112 0 1 EEAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(CCO)cc3[nH]1)C2 587247836 ZPNYJUDFDZOGKC-HXUWFJFHSA-N 337.423 2.449 0 1 EEAF Cc1c(Br)cncc1Cc1cnc2nc(O)nc(O)c2c1 587366793 QJAXCPGFPCXPRD-UHFFFAOYSA-N 347.172 2.493 0 1 EEAF Cn1ncnc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584294 ZHUAPDQPXTXVHS-KSSFIOAISA-N 337.335 2.398 0 1 EEAF CC(=O)NC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755422 OFQPSZVYBDPQDF-CLAHSXSESA-N 329.213 2.474 0 1 EEAF CCOc1c(S(=O)(=O)N[C@@H](CC)CO)ccc(Cl)c1Cl 1857648404 JQUIBBQXTZSNSD-QMMMGPOBSA-N 342.244 2.441 0 1 EEAF NCC(=O)Nc1ccc(S[C@@H](CC(=O)O)c2cccnc2)cc1 13589310 UBESPPARKFBHLI-AWEZNQCLSA-N 331.397 2.287 0 1 EEAF Cc1ccc(OC(=O)[C@H](Cc2ccccc2)NS(C)(=O)=O)cc1 169347686 YRIFZZWCUGQBHP-INIZCTEOSA-N 333.409 2.061 0 1 EEAF CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)C/C=C\[C@H]1C 7998205 XHGSXZXWBLXYTP-VDSOERLNSA-N 340.416 2.281 0 1 EEAF CC(=CCO)[C@H]1Oc2ncc(-c3ccccc3)c(O)c2[C@@]1(C)CO 2356785947 YENMWZZHPMKEFC-IEBWSBKVSA-N 327.380 2.404 0 1 EEAF CN(C)c1cccc2c(S(=O)(=O)NCCc3c[nH]cn3)cccc12 26178174 XLFVUIAHSYVKKA-UHFFFAOYSA-N 344.440 2.150 0 1 EEAF C[C@@]1(C(=O)CO)C=C2CC[C@H]3[C@@](C)(C[C@H](O)C[C@@]3(C)CO)[C@H]2CC1 70455237 LODMADPUDAMZJC-CNTMNXNISA-N 336.472 2.460 0 1 EEAF biogenic,in-vitro C[C@@]1([C@H](O)CO)C=C2CC[C@H]3[C@@](C)(CC(=O)C[C@@]3(C)CO)[C@@H]2CC1 136719643 DMTGVNZTCBSUQP-MUJBESKKSA-N 336.472 2.460 0 1 EEAF Nc1nc(N2CCCCCC2)nc2c1[N+]([O-])=C(c1ccccc1)C2=O 45389155 VSZJVZXYPUBBHV-UHFFFAOYSA-N 337.383 2.267 0 1 EEAF CCOc1ccc2[nH]nc(-c3cc(N4CCN(C)CC4)ncn3)c2c1 221341949 DCDWPSQRFLNQNP-UHFFFAOYSA-N 338.415 2.170 0 1 EEAF NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82080897 YTKFTJIBKSKMCF-GFCCVEGCSA-N 341.392 2.230 0 1 EEAF CN1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 95594875 ZEZRCNVXSRPVEG-UHFFFAOYSA-N 326.379 2.098 0 1 EEAF CCn1cnnc1[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1 142083434 YFRHNXXKSGZALT-NWDGAFQWSA-N 345.407 2.242 0 1 EEAF CC(C)(C)OC[C@@H]1CN(CC2CC2)S(=O)(=O)c2cnccc2O1 299852295 PYSPDJUNAJPBFW-ZDUSSCGKSA-N 340.445 2.058 0 1 EEAF O=C(O)CNCCNCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587228986 LBLXQNYKXPSHFW-UHFFFAOYSA-N 340.383 2.119 0 1 EEAF NS(=O)(=O)c1cccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c12 586899316 XWSZRBOFRLEUCJ-UHFFFAOYSA-N 343.408 2.462 0 1 EEAF C[C@@H](O)Cc1nc2c(I)cnc(Cl)c2[nH]1 586889651 GPHQSGZPUCQOAT-SCSAIBSYSA-N 337.548 2.139 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1cccnc1C(=O)O)[C@@H](C2)C3=O 587436406 PZPLICHTIBFLQF-SGTLLEGYSA-N 325.320 2.451 0 1 EEAF COc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1 1772571022 VOZKOZDGZYERDM-UHFFFAOYSA-N 333.351 2.138 0 1 EEAF CNC(=O)c1ccnc2c(NS(=O)(=O)c3ccccc3)cccc12 205634990 ZPOYMOMUWHOHPK-UHFFFAOYSA-N 341.392 2.395 0 1 EEAF C[C@@H]1CCC[C@H](O)[C@@H](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 2356415913 BDYVVSINDMFZGR-UGFHNGPFSA-N 336.384 2.342 0 1 EEAF CN(C)CCNC[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 22872561 GQDCCQZLTJWGAC-LJQANCHMSA-N 338.451 2.439 0 1 EEAF CCOC(=O)[C@@]1(C)CCN1C(=O)c1cncc(Br)c1 61903142 OYTYPATZDKNCRJ-CYBMUJFWSA-N 327.178 2.012 0 3 EEAF C[C@@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1 29125998 ONHBJGHVBNXFEV-SECBINFHSA-N 326.381 2.482 0 1 EEAF CCN(C)C(=O)c1coc(N2CCN(Cc3cccc(F)c3)C2=O)n1 74380014 PGKJFVHKDMPFDR-UHFFFAOYSA-N 346.362 2.348 0 3 EEAF CCOC(=O)c1cccn1C(=O)c1cc(OC)c(OC)c(OC)c1 45255203 GSPICCGOEHRZLN-UHFFFAOYSA-N 333.340 2.379 0 1 EEAF COc1cc([C@H]2NNCc3nc4ccccc4n32)cc(OC)c1OC 84709448 LBEJEZCHSQYCGR-SFHVURJKSA-N 340.383 2.217 0 1 EEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1c(F)cccc1F 195297241 IACFGXXXGCHYSI-IDMWTJEOSA-N 346.333 2.101 0 1 EEAF NC1=N[C@@]2(CCc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)CO1 96929114 SPCACAONOMDGOG-KRWDZBQOSA-N 342.786 2.474 0 1 EEAF CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(C[C@@H](O)CN1CCCCCC1)C2=O 142690923 HVUSCPODFBEQJZ-DOXZYTNZSA-N 336.476 2.035 0 1 EEAF COc1cccc2c1C(=O)c1ccc3c(c1[C@H]2O)C(=O)C[C@](C)(O)C3 473153103 YRKOFHPWOUTOGA-VQTJNVASSA-N 338.359 2.201 0 1 EEAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3nc(N)nc(Cl)c3[nH]2)cc1 587786349 QCAZANPVQNLUGD-NXEZZACHSA-N 343.774 2.532 0 1 EEAF COc1cc(C)ccc1OCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 587564604 MGZWWBAUHGWPNV-UHFFFAOYSA-N 347.396 2.106 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1ccnn1-c1ncccn1)[C@@H](C2)C3=O 587433412 XNDKOYZPNNKYHB-YVEFUNNKSA-N 334.335 2.160 0 1 EEAF CNS(=O)(=O)N1CCC(c2nc3cc(C)c(Cl)cc3[nH]2)CC1 586954630 LTEJQGBAQIOAFM-UHFFFAOYSA-N 342.852 2.168 0 1 EEAF O=S(=O)(NCCc1nc2ccccc2[nH]1)c1ccc(Cl)nc1 586943126 WCORWBVZZGYUID-UHFFFAOYSA-N 336.804 2.132 0 1 EEAF Cc1ccccc1-c1nc(C[S@@](=O)CC(=O)NC2CC2)c(C)o1 5058153 QKKJAHSIJZZJFQ-QHCPKHFHSA-N 332.425 2.486 0 3 EEAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCCN(CC)CC 2467845 QJOVNWORAMCKJC-IBGZPJMESA-N 347.459 2.284 0 1 EEAF CC(=CC(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C)CO 2356381055 ZANSSGQMUOIRJB-INIZCTEOSA-N 344.363 2.357 0 1 EEAF C/N=c1\c(NS(=O)(=O)c2c(C)noc2C)c(O)oc2ccccc12 103673504 FFOWMUXYNAOZKN-VBKFSLOCSA-N 349.368 2.075 0 1 EEAF CSCCC(NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)=C(O)O 100388541 NVOCTHUGIROXCB-GFCCVEGCSA-N 335.429 2.192 0 1 EEAF endogenous,in-vitro C[C@@H](CCc1ccc(F)cc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27743882 CGZWOSZLLCFYIB-KPZWWZAWSA-N 346.402 2.275 0 1 EEAF CC(C)C(=O)Nc1cc(N)c2c3c(cc(C(=O)CCO)nc13)C=N2 113370127 KMBPXLJHDVPENM-UHFFFAOYSA-N 326.356 2.041 0 1 EEAF CCc1cc(OC)c(O)c(C(=O)NC[C@H]2CCCN2CC)c1OC 34343073 WTKIGCPVTZEDQY-CYBMUJFWSA-N 336.432 2.186 0 1 EEAF Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1NCc1ccccc1 82203300 ADDYMFBOSZQMSN-HNNXBMFYSA-N 325.416 2.099 0 1 EEAF O=C(CNc1nc(-c2ccc(O)cc2)cs1)NC[C@H]1CCCO1 82193689 RBZNBIRSDILWBR-CYBMUJFWSA-N 333.413 2.223 0 1 EEAF CC(C)(CNC(=O)Cc1ccccc1)NC[C@@H](O)c1ccccc1 40504361 RFFZVJURAULFTN-GOSISDBHSA-N 326.440 2.447 0 1 EEAF C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]1(CCC[C@@]2(C)CO[C@@H](O)[C@H]21)COC3=O 238746534 KPDYSSCIJOJJHI-MOAKQCBYSA-N 348.439 2.306 0 1 EEAF O=C(N[C@H]1CC[C@H](O)CC1)c1cc(Cn2ccc3ccccc32)[nH]n1 299872906 GABWDEBNOUINGF-KOMQPUFPSA-N 338.411 2.446 0 1 EEAF Cc1ccc(NC(=O)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1 473087023 JNFAGZMJHRYRHI-UHFFFAOYSA-N 346.314 2.175 0 1 EEAF N[C@@H]1CC[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C1 587247138 WKIAFRNHVBLJCT-JGVFFNPUSA-N 333.335 2.451 0 1 EEAF O=CN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583144 QWNQCCKCAKQCEF-INIZCTEOSA-N 339.347 2.345 0 1 EEAF CCCNc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587429200 OYFXVUHWGJQHCL-DYVFJYSZSA-N 325.368 2.796 0 1 EEAF CC(C)[C@@](C)(O)c1nc2cc(I)cnc2[nH]1 586890508 QGITXKGGLMYHQG-LLVKDONJSA-N 331.157 2.426 0 1 EEAF CN(CCO)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570145 ICMDEHGPJMNICV-LPHOPBHVSA-N 343.379 2.037 0 1 EEAF Cc1cc(=O)oc2cc(NC(=O)CNc3cc(CO)ccn3)ccc12 1772585183 GRHJNRINAZGCRJ-UHFFFAOYSA-N 339.351 2.039 0 1 EEAF NC(=O)c1cc2c(n1Cc1ccccc1)-c1nc(N)ncc1CCC2 1772657086 ZBEYBFXCCLKXPN-UHFFFAOYSA-N 333.395 2.163 0 1 EEAF O=C(c1cccc(-n2cnnc2)c1)N1CCO[C@@H](Cc2ccccc2)C1 11821563 BBNIVSGFWWYWSW-IBGZPJMESA-N 348.406 2.351 0 1 EEAF CN1C(=O)C([C@H]2C[C@H](c3ccc(Cl)cc3)N=N2)C(=O)N(C)C1=O 169691263 DXIGRVIOBUZFPV-GHMZBOCLSA-N 334.763 2.272 0 1 EEAF Cc1c(Cc2ccccc2)c(=O)oc2cc(OS(N)(=O)=O)ccc12 1857558762 YKPBTQFQEANZCI-UHFFFAOYSA-N 345.376 2.275 0 1 EEAF CC[C@@H]1CCCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 8588747 KOCDEBUVJSFKKG-GFCCVEGCSA-N 338.429 2.279 0 1 EEAF COc1ccc2oc(N3CCNC[C@H]3COc3cccnc3)nc2c1 114573490 BHOVAOOOJKVCPM-ZDUSSCGKSA-N 340.383 2.089 0 1 EEAF CO[C@@H]1O[C@@H](O)[C@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5C[C@H]2N4[C@H](C)[C@@H]13 2356475013 MCELWEQVMZEFMT-NZONKMFVSA-N 340.423 2.411 0 1 EEAF COc1ccc(C[C@]2(O)Oc3cc(OC)cc(OC)c3C2=O)cc1 2356615331 AEZPBYQXRDLZKB-SFHVURJKSA-N 330.336 2.219 0 1 EEAF CC(C)=C(C)CC[C@@](O)([C@@H]1Cc2cc(C(N)=O)ccc2N1)[C@@H](C)O 2356699310 NFTNPFPXZQJRAZ-FMEYXAORSA-N 332.444 2.371 0 1 EEAF O=C1CCC2=C3C[C@H]4N(CC[C@@]45c4ccccc4N1[C@H]25)CC3=CCO 2356810797 BBMRPYMJUQZPKZ-HMXCVIKNSA-N 334.419 2.140 0 1 EEAF CC(C)(O)[C@H]1Cc2ccc(OC(=O)c3cc(O)cc(O)c3)cc2O1 72175816 GHTFYAHUUUVRHG-MRXNPFEDSA-N 330.336 2.391 0 1 EEAF Cc1ccc2c(c1)n1ncc(C(=O)Oc3cccs3)c1n[n+]2[O-] 43078961 LMERRRVIFCNBLN-UHFFFAOYSA-N 326.337 2.105 0 1 EEAF Cc1ccc(Oc2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)cc1 40918404 SNPCQHHCCJNFNQ-INIZCTEOSA-N 327.384 2.319 0 1 EEAF in-vivo CCOC(=O)c1cnc2c(cnn2CC)c1N(C)C1CCOCC1 40977364 JXEBIPKDQUARND-UHFFFAOYSA-N 332.404 2.243 0 1 EEAF CN(C)C(=O)c1ccc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2c1 587250475 VGAFXIZBWKXIAM-UHFFFAOYSA-N 338.367 2.141 0 1 EEAF Cc1c(Br)ccc2nc([C@@H](N)CCCNC(N)=O)[nH]c12 587259290 IIBNKEZPURZINF-VIFPVBQESA-N 340.225 2.082 0 1 EEAF Cc1c(O)ccc2c1[C@@](C)(C1(Br)CC1)N[C@H](C(=O)O)C2 963529308 WYOYWBNZKWHTNJ-HZMBPMFUSA-N 340.217 2.442 0 1 EEAF CC1(c2cccc3c2[C@]2(O)C=CC4(CC[C@H]32)OCCO4)OCCO1 5741806 IGRXYKWVMNRJMH-KUHUBIRLSA-N 330.380 2.284 0 1 EEAF O=C(C1CCSCC1)N1CC(=O)N2CCCc3ccccc3[C@H]2C1 26173166 WZJYHSRYUFDPOX-QGZVFWFLSA-N 344.480 2.488 0 1 EEAF c1ncc(-c2ccc([C@H]3[C@H]4CN(Cc5cocn5)C[C@@H]3N4)cc2)cn1 100106261 JJOFBYQHSGLEEJ-BWTSREIZSA-N 333.395 2.071 0 1 EEAF CCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)C(C)C 27741933 ZTVNDFOOMBMSCA-HOTGVXAUSA-N 325.497 2.341 0 1 EEAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C)cc3)c2n1 28571091 DQLNLTRFSYIQLX-UHFFFAOYSA-N 326.404 2.271 0 1 EEAF CN(C)c1cc[n+](Cc2ccc(C[n+]3ccc(N(C)C)cc3)cc2)cc1 71341842 VPXRDTLDKOKBSJ-UHFFFAOYSA-N 348.494 2.490 0 1 EEAF Nc1ccc2c(c1)[nH]c1[n+]2CCN(C[C@H]2CCCN3CCCC[C@@H]23)C1 138208178 WETNHZVOLPIATI-QAPCUYQASA-O 340.495 2.118 0 1 EEAF CCc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)cc1Br 586977417 NRDBGLBJAMYJTJ-UHFFFAOYSA-N 334.177 2.633 0 1 EEAF O=C1NC(=S)N2C(=O)[C@@H]3Nc4cc(Cl)cc(Cl)c4[C@@H]3C=C12 1772608002 XUIHLAZYWIQDIJ-XUOSJQGZSA-N 340.191 2.012 0 1 EEAF C[C@@H](CCc1ccccc1)NC(=O)c1cc(CN2CCOCC2)on1 15769459 MWHRNXYGUDUFMH-HNNXBMFYSA-N 343.427 2.258 0 1 EEAF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2O)c(O)c1 169307676 DMAIBFHCOKDKAS-UHFFFAOYSA-N 334.324 2.363 0 1 EEAF CN1C(=O)[C@H](OCCO)N=C(c2ccccc2)c2cc(Cl)ccc21 2006855 PYRIRQPKPPLVMI-KRWDZBQOSA-N 344.798 2.489 0 1 EEAF CCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(C)c2n1 4239198 UCCVLVIRNQJLRV-UHFFFAOYSA-N 334.383 2.314 0 1 EEAF C[C@@H]1CCCC[C@@H]1NC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O 6732949 ODDIECAGMQFRTG-NEPJUHHUSA-N 349.456 2.226 0 1 EEAF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CC[C@H](O)N1C 103217810 RCBHOYHHJJUMPD-ZDUSSCGKSA-N 326.784 2.047 0 1 EEAF CCC(CC)C(=O)N1CC[C@@H]2NC(=O)N(Cc3ccccc3)C(=O)[C@H]21 25411853 QYNKOKVSUPGLJE-HOTGVXAUSA-N 343.427 2.144 0 1 EEAF biogenic CC(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccc(C)cc3[nH]2)C1 2356302605 AVMPDAVBSGHIKH-UONOGXRCSA-N 329.400 2.373 0 1 EEAF CC[C@H]1NC(=O)OC12CCN(C[C@@H]1COc3ccccc3O1)CC2 28761395 VVMCXYYGSYAMPN-CZUORRHYSA-N 332.400 2.179 0 1 EEAF CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)cc2OC)CC1 61905305 QILDRDYDZLVCOI-CYBMUJFWSA-N 334.416 2.082 0 3 EEAF O=C(OCCc1cn(-c2cc3ccccc3oc2=O)nn1)C1CCC1 36388934 SFAPUUFRZNEGJO-UHFFFAOYSA-N 339.351 2.260 0 3 EEAF CN1CC[C@@]2(CCN(Cc3ccc(-c4cnn(C)c4)cc3F)C2=O)C1 95587082 SGHOFWAWAWFGNQ-LJQANCHMSA-N 342.418 2.280 0 1 EEAF C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@@H]4OC[C@](C)(CC[C@@H]1OC3=O)[C@@H]42 238778169 PBFNALPDEURXMO-PNUYIVOQSA-N 346.423 2.323 0 1 EEAF CC1(C)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)[C@@H](O)[C@]4(O)CO 238760200 PUEDXDXTWYRMDP-WWBXUTOGSA-N 338.488 2.084 0 1 EEAF CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C(OCC(=O)O)=CO1 587415079 YMLICVCPEKDHTO-QGZVFWFLSA-N 331.324 2.158 0 1 EEAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 586906701 GMDJVZCWWZWQIK-SNVBAGLBSA-N 334.339 2.119 0 1 EEAF CCS(=O)(=O)N1CCC[C@H](C(=O)c2ccc(OC)cc2C)C1 13545273 LMZJRKRJWSKAPT-ZDUSSCGKSA-N 325.430 2.248 0 3 EEAF CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C#N)C(=O)OCc1ccccc1 13838819 ABXDXHOBYQAKGN-IRXDYDNUSA-N 343.427 2.206 0 1 EEAF C[C@H](c1nc(-c2ccccc2Cl)no1)[C@H](N)C(=O)N1CCCC1 14948413 PXIXEWODOYHUPT-GWCFXTLKSA-N 334.807 2.443 0 1 EEAF CN(C(=O)c1cc2cc(-c3cnn(C)c3)ccc2[nH]1)[C@@H]1CCN(C#N)C1 1857617659 YQPLODSYXHIDPE-MRXNPFEDSA-N 348.410 2.196 0 1 EEAF F[C@H]1CN(Cc2nccs2)C[C@@H]1OCc1nc2cccnc2[nH]1 2356342137 JWGOKISWVATEGA-JQWIXIFHSA-N 333.392 2.154 0 1 EEAF COC(=O)CSCC(=O)Nc1nnc(-c2ccccc2C)s1 4174415 JYBSFIPTUDGTPV-UHFFFAOYSA-N 337.426 2.358 0 3 EEAF CCCn1c(=O)c2nc([C@H]3C[C@@H]4C=C[C@@H]3C4)[nH]c2n(CCC)c1=O 100644823 LMZOGRHOEMOQIR-UPJWGTAASA-N 328.416 2.386 0 1 EEAF CN(C)CCN1C(=O)c2cccc3cc4nc(O)sc4c(c23)C1=O 28876740 WOBXCEFTKOEWGX-UHFFFAOYSA-N 341.392 2.313 0 1 EEAF C[C@]1(CO)[C@H](O)CC[C@]2(C)[C@H]1CC=C1C[C@H]3C[C@@]12CC[C@@]3(O)CO 2356597970 AOVRTCZFFWQNCK-SLLBGGHUSA-N 336.472 2.006 0 1 EEAF CC(=O)N1c2ccccc2[C@@]23CCN4C[C@H]5[C@H](C)OC[C@@H]([C@H]12)[C@H]5C[C@H]43 145936107 BYQCMXYHBHKSQD-ZHQMEGQJSA-N 338.451 2.418 0 1 EEAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CC)[C@H]2CNC(=O)CC)cc1 95895381 GTUJJNILEQVMPG-BAZFFDMSSA-N 344.455 2.311 0 1 EEAF NS(=O)(=O)c1ccc(-c2cc([C@H]3C[C@H]4CC[C@H]3N4)cnc2F)cc1 254093053 LSPFRPGGOBZZFJ-XNRPHZJLSA-N 347.415 2.143 0 1 EEAF CC(C)(CO)[C@@H](O)c1nc2cccc(I)c2[nH]1 586902101 YBGDFTPSLQLRNJ-JTQLQIEISA-N 346.168 2.219 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1CC(=O)N(C)C)[C@@H](C2)C3=O 587429141 NUDQPHAROWHGNB-SPKLELGKSA-N 329.396 2.460 0 1 EEAF COC(=O)CCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587393208 ZSYSDCZSUBTFSP-OAHLLOKOSA-N 329.356 2.043 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNC(=O)C2)N1 587794980 MXPXFHLFAIWLLT-CLAHSXSESA-N 327.197 2.228 0 1 EEAF CS(=O)(=O)/C=C\c1nc2c(Br)cnc(Cl)c2[nH]1 586923789 VWBFZNPIYRBWNL-IHWYPQMZSA-N 336.598 2.389 0 1 EEAF CCOC(=O)N1CCC[C@]2(CC1)NCCc1nc3ccccn3c12 962991260 UUBLSMGYTHTFQZ-GOSISDBHSA-N 328.416 2.318 0 1 EEAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC(=O)CSc1nc(N)cc(=O)[nH]1)C2 17857976 IUIQTJUIJMODHN-LSYCYVAJSA-N 337.445 2.202 0 1 EEAF COc1ccc2nc3sc(S(=O)(=O)N(C)C)c(N)c3cc2c1 1857551999 LGJZBPXYTHWISV-UHFFFAOYSA-N 337.426 2.291 0 1 EEAF COc1cnc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1 1857559191 YWEIPUJLINKRDB-DEOSSOPVSA-N 346.412 2.295 0 1 EEAF O=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1 40876507 WYCXEKKLBAECDV-UHFFFAOYSA-N 343.770 2.029 0 1 EEAF Nc1nc(CCCNS(=O)(=O)c2ccc3ccccc3c2)c[nH]1 43078123 HRVNWHBUIHHQDL-UHFFFAOYSA-N 330.413 2.056 0 1 EEAF O=C(OCc1ccco1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 377605792 JWLCOGXPTWMMDY-UHFFFAOYSA-O 345.722 2.334 0 1 EEAF CCN1C(=O)CC[C@@H]2N(C(=O)CCn3nccc3C)CCCC[C@@]21C 299850416 DMMXYHZGKFBCFA-LPHOPBHVSA-N 346.475 2.364 0 1 EEAF O=C(NC[C@H]1OC[C@H]2CN(Cc3ccco3)CC[C@@H]12)c1cscn1 299842525 HTNKWBJBVMXCEV-XNRPHZJLSA-N 347.440 2.003 0 1 EEAF COC(=O)c1cnc2c(cnn2-c2ccccc2)c1NCCCCN 653819838 JYQCAOFCEAJOOV-UHFFFAOYSA-N 339.399 2.358 0 1 EEAF O=C(O)[C@H]1[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@H]1C(=O)O 587971313 ZBCNRLVMUQYGEV-WHUPJOBBSA-N 332.209 2.220 0 1 EEAF COc1cccc2cc(-c3ccc4c(O)nc(O)nc4n3)c(=O)oc12 587562435 AHAVQDOMIKQIBP-UHFFFAOYSA-N 337.291 2.218 0 1 EEAF COC(=O)c1ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 587094298 PALGPHRNDGGJFM-SSDOTTSWSA-N 329.278 2.479 0 1 EEAF O=C(Cc1cc(O)nc(O)n1)n1nc2cc1Oc1ccc(F)cc1-2 587873906 PEKFSDCLRDSMDZ-UHFFFAOYSA-N 328.259 1.879 0 1 EEAF Cc1c(O)ccc2c1[C@]1(CC[C@H](N)c3ccccc31)N[C@H](C(=O)O)C2 963505959 DDCGGXNFKYPQPH-TWOQFEAHSA-N 338.407 2.337 0 1 EEAF COc1ccc2oc(=O)cc([C@H]3CC(=O)Oc4n[nH]c(C)c43)c2c1 1772650995 NPEHWGAYXZXALP-GFCCVEGCSA-N 326.308 2.274 0 1 EEAF CCSc1nnc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)s1 13153621 ROCXLAJJRSSVTB-KZVJFYERSA-N 325.415 2.112 0 1 EEAF NS(=O)(=O)c1ccccc1NC(=O)c1c(F)c(F)cc(F)c1F 13561051 OTOKUJHGGBIYJX-UHFFFAOYSA-N 348.277 2.143 0 1 EEAF CC[C@H](C)[C@@H]1C[C@H]([C@H](C)CC)C=C1[C@@H](O)C[C@@H](O)[C@@H](O)C(=O)O 14858357 RKOUCPMGBBKLNK-KGBVHWMISA-N 328.449 2.199 0 1 EEAF endogenous,in-man CC(C)Nc1ccc2cnn(-c3cncc(NCCCN)n3)c2c1 1857772071 YUSLVKTWCYEISD-UHFFFAOYSA-N 325.420 2.397 0 1 EEAF O=C(CCn1c(=O)[nH]c2ccsc2c1=O)NCCC1=CCCCC1 200597 YQVNGSFWBWQPLY-UHFFFAOYSA-N 347.440 2.148 0 1 EEAF Cc1c(NC(=O)c2noc3c2CCC3)c(=O)n(-c2ccccc2)n1C 2465797 ZJVMYMNKACWSLU-UHFFFAOYSA-N 338.367 2.213 0 1 EEAF O=C1c2cc(Br)ccc2-n2c1nc1ccncc1c2=O 6567223 MIDDVCJFJSGVQD-UHFFFAOYSA-N 328.125 2.088 0 1 EEAF CC[C@H](O)[C@H](C)CC[C@H](C)C=C1CN2CCC[C@@H]2[C@](C)(O)[C@H]1O 2356478583 JPTCXUSLJGJEHG-RDRYKLJOSA-N 325.493 2.326 0 1 EEAF C[C@]12C(=O)O[C@@H]3C[C@@H]4c5occc5C(=O)C[C@H]4[C@@]4(CC[C@@]1(O)OC4)[C@@H]32 2356335736 CBUZTSOSSFLWTE-AEBLIWHCSA-N 344.363 2.016 0 1 EEAF COc1ccc2c(c1)N[C@@H]1[C@H]3[C@@H]4C[C@H]5N(CC[C@@]215)CC4=CO[C@H]3OC 2356505879 SWKLBBXUTMDNSJ-NDBLNCIZSA-N 340.423 2.338 0 1 EEAF Cn1cc(C2CCN(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)CC2)nn1 43014222 RQDRWTLKQRNDSG-HZPDHXFCSA-N 325.416 2.260 0 1 EEAF Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2CC1CNC1 1772598473 JERUHDOQWVDHGI-UHFFFAOYSA-N 330.779 2.074 0 1 EEAF COc1c(OC[C@H](O)C(C)(C)O)c2occc2c2oc(=O)ccc12 13323047 SYCQEMIWUFVJHN-NSHDSACASA-N 334.324 2.058 0 1 EEAF biogenic O=C(NCCC[C@@H](NC(=O)c1ccccc1)C(=O)O)c1ccccc1 13438253 NTRBNFOLBJWRAO-MRXNPFEDSA-N 340.379 2.080 0 1 EEAF biogenic Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCCN(C)C)[C@@H]1O2 169323921 LDCOBSMHDPNUMZ-UFYCRDLUSA-N 344.455 2.203 0 1 EEAF COC(=O)c1c(NC(=O)Cc2sc(N)nc2O)sc(C)c1C 169722482 WCLTUYDSRPWMPX-UHFFFAOYSA-N 341.414 2.077 0 1 EEAF O=C(Nc1nccs1)[C@]1(C(=O)C2CC2)CC(c2ccccn2)=NO1 203474172 SMCHXANCHGTMAW-MRXNPFEDSA-N 342.380 2.019 0 3 EEAF O=C(c1ccc(Cl)cc1)[C@@H](CO)n1cnc2ccccc2c1=O 29307900 SSTCVWYHONZIIR-OAHLLOKOSA-N 328.755 2.466 0 1 EEAF O[C@]12c3ccccc3[C@]1(N1CCOCC1)CCCCC21OCCCO1 31852004 VAOWMWKFKFODLA-UYAOXDASSA-N 345.439 2.123 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3c4c(ccc(C)c4C)[C@@H](O)[C@H]23)OC1=O 2356836991 LFVSQVHIKFDYFI-XLNGHYISSA-N 342.347 2.294 0 1 EEAF Cc1cccc(Nc2nc(NC[C@H]3CCCCN3)ncc2C(N)=O)c1 72124971 CGICNRPZUNAYAP-CQSZACIVSA-N 340.431 2.182 0 1 EEAF O=C(Nc1cccc(F)c1)Nc1ccc2c(c1)S(=O)(=O)N=C2O 84587766 FCMNJDGMFKJJQX-UHFFFAOYSA-N 335.316 2.477 0 1 EEAF O=[n+]1[nH]c2c(Br)cnn2c2cc(Br)ccc21 377813299 PLUWWTIPEQSGBK-UHFFFAOYSA-N 344.974 2.255 0 1 EEAF COc1ccc([C@H]2Sc3ccccc3N(CCO)C(=O)[C@@H]2O)cc1 34613668 KGGGMORTSFTLQR-IAGOWNOFSA-N 345.420 2.228 0 1 EEAF biogenic COC(=O)c1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2n1 587161813 FNORZMNLLRQEAD-UHFFFAOYSA-N 342.330 2.455 0 1 EEAF Nc1ccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cn1 587254586 OLPBXNZHMCEFTO-UHFFFAOYSA-N 347.382 2.190 0 1 EEAF CN(C)CCOc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587368827 AEQUIPPOMSTHBR-UHFFFAOYSA-N 326.356 2.043 0 1 EEAF COc1ccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 586930486 UTTUIIIFXKEXMR-UHFFFAOYSA-N 331.397 2.004 0 1 EEAF CCCOc1c(Cl)cc(/C=C2/NC(=S)NC2=O)cc1OC 15684586 LGOJQNPLDAMWTL-UXBLZVDNSA-N 326.805 2.483 0 1 EEAF O=C1NC(Cc2ccccc2)=N[C@H]2[C@@H]1N=CN2CCc1cccs1 1857606369 ALTNKWSLKVDWDZ-DLBZAZTESA-N 338.436 2.100 0 1 EEAF NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2cc(O)ccc2c1 3590574 RTNHVMIFNFLRNR-UHFFFAOYSA-N 346.342 2.374 0 1 EEAF Cn1cc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)cn1 2356302106 MAYGSBQSLNJCMG-YOEHRIQHSA-N 343.406 2.046 0 1 EEAF Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)[C@H](O)[C@@H](N)C3)cc1 26721647 ZDYBCYVCWBMNOH-YJBOKZPZSA-N 342.420 2.104 0 1 EEAF Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](OCc2ccccc2)C[C@@H]1O 26574821 KQWZLGLYTXBCFX-KFWWJZLASA-N 339.399 2.080 0 1 EEAF COC1=C(C)C(=O)OC1=C1O[C@@]23CCCN4CCC[C@H](O2)[C@H]4[C@@H]3[C@@H]1C 2356537933 LXAQGNNSRKLTLE-URKGOIHOSA-N 347.411 2.311 0 1 EEAF CCc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N 40392854 MPVLIBBHCAVTJX-UHFFFAOYSA-N 335.371 2.256 0 1 EEAF CC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3ccccc3)C[C@H]21 95894232 PWKBDVMDCKLWIS-QRVBRYPASA-N 336.391 2.022 0 1 EEAF CCOC(=O)c1csc(NC(=O)CN2C=CC(=CN=O)C=C2)n1 473085899 YWLRNMIFRRQPMI-UHFFFAOYSA-N 334.357 2.252 0 1 EEAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587196411 UVMMFILTEPZQHQ-NSHDSACASA-N 344.440 2.428 0 1 EEAF Nc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cn1 587162228 UPTXGJYGBLACMX-UHFFFAOYSA-N 343.753 2.639 0 1 EEAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)o1 586931433 TVWACYKFZPKMAT-UHFFFAOYSA-N 327.312 2.351 0 1 EEAF O=C(O)c1ccccc1SCc1ccc2c(O)nc(O)nc2n1 587562502 CNHGATUHCYBBPM-UHFFFAOYSA-N 329.337 2.427 0 1 EEAF COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)OC(C)(C)C1)[C@@H](C2)C3=O 587456478 VZBYCNSPAZWTLH-VOJFVSQTSA-N 330.336 2.349 0 1 EEAF CCC[C@]1(CC(=O)C(=O)OCC)NCCc2c(C(=O)O)cccc21 963128953 BYODDKKXCRQGBE-GOSISDBHSA-N 333.384 2.048 0 1 EEAF COc1cc2c(cc1OC)[C@@](C)(c1nn(C)cc1O)N(C)[C@@H](C)C2 962573329 RCXXNZDYUKPLAC-VOJFVSQTSA-N 331.416 2.283 0 1 EEAF CCCCN=c1[nH]c2c(s1)C(=O)N(Cc1ccccc1)CC(=O)N2 1857615746 OTCYDMSTNOBEHQ-UHFFFAOYSA-N 344.440 2.372 0 1 EEAF O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@H](O)C[C@H](c2ccco2)N1C3 2356522303 CMYSMCWWICFNSV-JQVOGXOBSA-N 330.428 2.177 0 1 EEAF CC(C)(C)c1ccc2ncc(NC(=O)[C@H]3C[C@H](CN)CN3)cc2c1 26652311 OLQYNNRAZNAZMW-SJKOYZFVSA-N 326.444 2.408 0 1 EEAF COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)CO)c(F)c1 29128796 FODPXUPYNAACFP-UHFFFAOYSA-N 335.306 2.027 0 1 EEAF Cn1nnnc1Sc1ncnc2scc(Br)c12 36380210 PNDSDWZVQAYPFQ-UHFFFAOYSA-N 329.208 2.129 0 3 EEAF O=C(O)CC[C@@H](CNC(=O)c1ccccc1)NC(=O)c1ccccc1 13438301 YFNIERVXGGNEKO-INIZCTEOSA-N 340.379 2.080 0 1 EEAF biogenic Cn1nc(N2CCCC2)nc1CCc1nc2ccc3ccccc3n2n1 142779818 LFJNLJMXVAODRF-UHFFFAOYSA-N 347.426 2.396 0 1 EEAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccnc(Cl)c3[nH]2)c1 587142416 ZFKYDVSDBXEAFG-UHFFFAOYSA-N 326.740 2.065 0 1 EEAF COc1cnc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1Cl 587065815 YGMHKPGHTGWXEB-UHFFFAOYSA-N 327.735 2.263 0 1 EEAF O=S(=O)(O)c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586900266 BCJXOAREWSZCMH-DOMZBBRYSA-N 330.365 2.379 0 1 EEAF CCOC(=O)C[C@@H](C(=O)OCC)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587397632 AEXWNVVPKTXLPA-DOMZBBRYSA-N 349.383 2.044 0 1 EEAF CCNC(=O)N1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587435357 FSMJJTAGWCEHFH-CYBMUJFWSA-N 330.384 2.007 0 1 EEAF O=c1ccc2ccc(OCc3ccc4c(O)nc(O)nc4n3)cc2o1 587563368 RSYDNHDQMWTDNZ-UHFFFAOYSA-N 337.291 2.121 0 1 EEAF CCO[C@H]1c2c(ncn2Cc2ccc(OC)cc2)N=CN(C)N1C 13559505 FAABVWKXZLJGFF-KRWDZBQOSA-N 329.404 2.427 0 1 EEAF COc1cc2c(cc1OC)[C@H]1Oc3cc4c(cc3[C@@]1(O)CO2)OCO4 14648506 OPUNZSMLSXSMJN-MSOLQXFVSA-N 344.319 2.146 0 1 EEAF endogenous,in-man COc1ccccc1S(=O)(=O)NC[C@@H](O)/C=C/c1ccccc1 1857750504 BIGYZQXRRAUNLA-RUMSDORHSA-N 333.409 2.048 0 1 EEAF O=C(NCCNCCO)c1cccc2ccc(-c3ccccc3)nc12 1613468 INHILYUJPWOEBR-UHFFFAOYSA-N 335.407 2.214 0 1 EEAF COc1ccc([C@H]2O[C@@H](CO)C[C@]2(O)c2ccc(OC)cc2)cc1 28648845 WZFCMGRPDNADRU-QRVBRYPASA-N 330.380 2.414 0 1 EEAF O=C1C[C@@H](O)[C@@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]12 27898541 GREJPBKWGASYSC-NRSFXHEJSA-N 332.396 2.350 0 1 EEAF COc1ccccc1N1CCN(CCc2ccc3[nH]nnc3c2)CC1 28353550 QOTYCLIFPPZNAZ-UHFFFAOYSA-N 337.427 2.331 0 1 EEAF COc1ccc(CCNC(=O)c2cc(=O)c3c(O)cccc3o2)cc1 28637277 WFZFHIDSAYZMLL-UHFFFAOYSA-N 339.347 2.480 0 1 EEAF C[C@@H]1Oc2cccc(O)c2[C@H](O)[C@H](C)Oc2cccc(O)c2[C@@H]1O 2356472746 HTVPTLVEDCCJOB-HBXDHWNBSA-N 332.352 2.413 0 1 EEAF S=C(NCCN1CCCC1)Nc1ccc(Br)cn1 27076711 WSAWNSKJBYHZEP-UHFFFAOYSA-N 329.267 2.226 0 1 EEAF COc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2OC)ccc1O 70454517 FAKIGXKXGPZHOO-DLBZAZTESA-N 332.308 2.143 0 1 EEAF biogenic,in-vitro O=C(NC[C@H](O)CN1CCc2ccccc2C1)Oc1ccccc1 217119251 ISPNKABZQKKZLU-KRWDZBQOSA-N 326.396 2.194 0 1 EEAF CCOC(CNC(=O)c1cc2cccc(OC)c2oc1=N)OCC 84670485 LPPCBRDGCRPBLT-UHFFFAOYSA-N 334.372 2.050 0 1 EEAF Cc1ccc(-c2c[nH]/c(=N\C(=O)C3=NNC[C@H]3c3ccccc3)[nH]2)cc1 95563934 PCOCQJJDLMWVCW-INIZCTEOSA-N 345.406 2.489 0 1 EEAF C[C@H]1C=C(O/C=C2/C(=O)O[C@@H]3C4=C(C[C@H]23)[C@@H](O)CCC4(C)C)OC1=O 238755211 ARGBKKMNXCMJSK-UWIYOPMNSA-N 346.379 2.344 0 1 EEAF O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c([C@H]3C[C@H]4CC[C@H]3C4)nc12 653630346 SCSLIIMUBOKELV-ABHRYQDASA-N 339.443 2.343 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)cc1 586950564 IXNUYDDPSWVLOO-CQSZACIVSA-N 345.384 2.325 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN[C@H](C(=O)O)[C@H]2C1 587480814 GWZHPCTVXOSPHW-HCPRYLNISA-N 345.395 2.131 0 1 EEAF Cc1nc(C(=O)N(C)C)c([C@@]2(C)NCCc3cc(C)c(F)cc32)[nH]1 962298396 LOCIHERKTNJLGA-SFHVURJKSA-N 330.407 2.277 0 1 EEAF COCCNc1nc(Nc2ccc(F)c(F)c2)nc2c1cnn2C 1772593857 NNBVARYNRZUOKG-UHFFFAOYSA-N 334.330 2.443 0 1 EEAF CCCN1C(=O)c2cc(Cl)c(Cl)cc2[C@@]12CC(=O)NC2=O 13651395 IXVFQRLRMJWNLJ-CQSZACIVSA-N 327.167 2.101 0 1 EEAF Cc1noc2ncnc(N3CCC[C@H](C(=O)N4CCCCC4)C3)c12 15728887 RIJJPAHBUROVIP-ZDUSSCGKSA-N 329.404 2.155 0 1 EEAF O=C(O)c1ccccc1NCc1cc(Cl)cc2[nH]c(=O)c(=O)[nH]c12 22830 JEDNBGQTGZWNTC-UHFFFAOYSA-N 345.742 2.180 0 1 EEAF CC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@H]1c1ccccc1 2356289330 TXLUNYBUGYKCEL-HBFSDRIKSA-N 344.455 2.406 0 1 EEAF CC=C1CN2CC[C@]34c5cc(OC)ccc5N[C@@H]3[C@H](CO)[C@H]1C[C@@H]24 2356628506 WASNVZYFPCLQAH-MZCHELMPSA-N 326.440 2.390 0 1 EEAF O=C1c2cc3c(cc2OCN1C1CCCC1)C(=O)N1CCC[C@H]1O3 72175575 QWPOCAIKRIANLY-MRXNPFEDSA-N 328.368 2.376 0 1 EEAF COc1ccc2c(c1OCCCCO[N+](=O)[O-])CO[C@@H](C)C2=O 95562604 XRWZQHODIFODLE-JTQLQIEISA-N 325.317 2.164 0 1 EEAF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2c(N)nc(N)nc21 653714993 SQIZMPJGAZYQAF-UHFFFAOYSA-N 336.182 2.467 0 1 EEAF Nc1nccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149077 LQYRTMATRPLAJK-SNVBAGLBSA-N 343.337 2.334 0 1 EEAF COC(=O)c1cc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2cn1 587255109 YEVMWLNHSXSQLF-UHFFFAOYSA-N 346.350 2.451 0 1 EEAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587239863 YZBMPQIILQNFJV-UHFFFAOYSA-N 346.368 2.276 0 1 EEAF CCOC(=O)C[C@@]1([C@@H]2CCOC2)CC(=O)c2cc(C)cc(N)c2O1 587411489 JWRIGCHHGTZCCX-KZULUSFZSA-N 333.384 2.271 0 1 EEAF CCOC(=O)/C(=C/N(C)C)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429224 PFLFUSUCEYLVDT-ROFGWURRSA-N 345.395 2.210 0 1 EEAF Cc1ncc(CNc2ccc(OC[C@H](O)Cn3ccnc3)cc2)cn1 12147657 PMISPSKHZJXIOB-QGZVFWFLSA-N 339.399 2.034 0 1 EEAF O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1ccccc1Cl 13496236 ATWGPAAGZWQRJW-HRBUUUBSSA-N 342.782 2.038 0 1 EEAF CC(=O)OCc1ccc([C@H](C)[C@@H](O)[C@H](C)C(C)=O)c(/C=C/CO)c1 1857570572 SAFFYRCQDFKPOV-KHGSUAOUSA-N 334.412 2.445 0 1 EEAF CS[C@@H]1NC(=O)C(=Cc2ccc(OCC=C(C)C)cc2)NC1=O 2356473393 DFTITSOGUUDLJM-KRWDZBQOSA-N 332.425 2.308 0 1 EEAF O=C(Nc1cc(=O)[nH]c(O)n1)c1cc(Br)ccc1Cl 2711334 XDTYIFUZGPNMTI-UHFFFAOYSA-N 344.552 2.144 0 1 EEAF Cc1ccc(-n2nnc3c(=O)n(Cc4ccccn4)cnc32)cc1C 4271764 GUWLARQVLXWQTR-UHFFFAOYSA-N 332.367 2.037 0 3 EEAF Cc1ccc(-c2n[nH]c(SCc3cc(O)n4ncnc4n3)n2)cc1 21093310 GDTARSLWXXSBKH-UHFFFAOYSA-N 339.384 2.216 0 1 EEAF Cc1nc(C2CCN(C(=O)c3cc(C(C)C)no3)CC2)cc(=O)[nH]1 23581207 CTEPLCXZLFZAQK-UHFFFAOYSA-N 330.388 2.210 0 1 EEAF O=C(Nc1cccc(Cl)c1)c1cncc(N2C[C@@H]3CNC[C@@H]3C2)n1 73168436 HAJKIYUDWKXUFT-TXEJJXNPSA-N 343.818 2.038 0 1 EEAF Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1NCc1ccccc1F 82212904 ATYQNRSZPAARLK-AWEZNQCLSA-N 343.406 2.238 0 1 EEAF O=C(COc1ccc2c(c1)CCN1C(=O)CC[C@H]21)N1CCCCC1 95578426 RCXNYRWRWBVCOG-QGZVFWFLSA-N 328.412 2.298 0 1 EEAF COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CCN2C=O)cc1O 32236768 QYKLIFNJBMPXQU-HNNXBMFYSA-N 343.379 2.413 0 1 EEAF biogenic Nc1cc(CC[C@@H]2CN(Cc3cccc(C(=O)O)c3)CCO2)ccn1 299851538 QHRZLWOJZUXKBA-QGZVFWFLSA-N 341.411 2.196 0 1 EEAF COc1cccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 473249353 VEYVVWWFRNYJSH-UHFFFAOYSA-N 349.314 2.315 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(N)=O)O2 587388628 FNYKVHNFGWAXEN-MRXNPFEDSA-N 326.352 2.148 0 1 EEAF CNC(=O)[C@H]1C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 587236347 VBDSTCGJXHDFFG-UHNVWZDZSA-N 329.585 2.223 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nonc2N)N1 587743821 FLRYPDFDXJMPLJ-UANNBLPKSA-N 341.184 2.351 0 1 EEAF C[C@]1(c2nc3cccc(C(N)=O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173669 GHEGNWAQLGFFHI-GOSISDBHSA-N 339.326 2.429 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(COC[C@@H]1C(=O)OCC)CC2=O 587490981 MQSZQLISBVBBLZ-FZKQIMNGSA-N 334.368 2.258 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1ccn(C)n1)O2 587391430 MLDYHNKYAIHKCM-XOWYPZSQSA-N 326.400 2.247 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cc(=O)c3ccccc3[nH]2)N1 962890038 AQBFMPNVSBNPRQ-YJBOKZPZSA-N 338.338 2.356 0 1 EEAF O=c1ccc(S(=O)(=O)c2cc3cc(Cl)cc(Cl)c3[nH]2)n[nH]1 11536201 DVKVFPWCOVZHSI-UHFFFAOYSA-N 344.179 2.391 0 1 EEAF Cn1cc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cn1 200615593 WPUWYBAFBIKJBR-UHFFFAOYSA-N 342.366 2.059 0 1 EEAF CCCCN(CC)CCCNC(=O)C[C@H]1Oc2ccccc2NC1=O 4034777 IYBVMICTDCGOGB-QGZVFWFLSA-N 347.459 2.405 0 3 EEAF CCN(CC)[C@H](c1ccc(F)cc1)c1nnnn1C[C@@H]1CCCO1 4190681 WZERLXNSIQRQIZ-JKSUJKDBSA-N 333.411 2.422 0 3 EEAF CCOC(=O)c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)[C@@H](O)C2 2356430735 PIUQFMJYOHEDCV-HOCLYGCPSA-N 346.335 2.017 0 1 EEAF CN1CCN(CCCC2(S(=O)(=O)c3ccccc3)CCC2)CC1 28571505 ZDYKFVPSFFUZJG-UHFFFAOYSA-N 336.501 2.411 0 1 EEAF CC(=O)OC(C)(C)CNC(=O)/C=C\C=C/c1ccc2c(c1)OCO2 28972386 QGDBWUXDIODTEX-PEPZGXQESA-N 331.368 2.443 0 1 EEAF biogenic,in-vitro C[C@@H]1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)CCC[C@]4(CO)[C@H]2CC[C@H]1[C@H]3O 2356495452 SIHFLKYXQVXCGK-GJXLEEKZSA-N 336.472 2.148 0 1 EEAF Cc1cnc(NCc2cccc(-n3cncn3)c2)nc1-c1ccnn1C 23478900 FLXLMCZKZZZJCJ-UHFFFAOYSA-N 346.398 2.378 0 1 EEAF COC(=O)[C@@H](NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2)C(C)C 64232039 DLGZWMIOYIHKDN-LTHZIQSVSA-N 331.368 2.299 0 1 EEAF CN1C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2Cl)N(C)C1=O 43199817 INOUFPKRGMZKSK-SNVBAGLBSA-N 349.740 2.341 0 1 EEAF O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2nccs2)C1 96064951 IIWBNTZVBDMFPQ-BPLDGKMQSA-N 344.440 2.156 0 1 EEAF Cc1ccc(-c2ccnc3cc(CC(=O)N4CCN(C)CC4)nn23)cc1 299850203 NWUCUASZCHOBDA-UHFFFAOYSA-N 349.438 2.021 0 1 EEAF CCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2cc(Cl)c(F)cc12 587631177 ILCLLAJQYTYJOC-LBPRGKRZSA-N 338.766 2.497 0 1 EEAF Oc1nc(O)c2ccc(-c3ccc(N4CCOCC4)s3)nc2n1 587564510 UTNCSNQKSALJOU-UHFFFAOYSA-N 330.369 2.001 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)NCC2(C)C 587799426 XBTNASFTLRQWIM-ANRSDYALSA-N 341.224 2.474 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(n1)NC(=O)CO3)O2 587402571 ZFNNYJMIXUMKCV-AWEZNQCLSA-N 325.324 2.010 0 1 EEAF CCn1cc(C(=O)c2c(C(=O)OC)[nH]c3c(C(=O)O)cccc23)cn1 587637935 BMXHEVKDASKZQW-UHFFFAOYSA-N 341.323 2.100 0 1 EEAF c1cc2c(ncn3nnc(C4CCN(Cc5cscn5)CC4)c23)[nH]1 1772608990 GKDHYVDFSBOFLN-UHFFFAOYSA-N 339.428 2.442 0 1 EEAF NC(=O)c1cc2c(Oc3ccccc3C[C@H](O)CO)cncc2s1 13864395 WBELHIXJMJMRKQ-NSHDSACASA-N 344.392 2.083 0 1 EEAF COC(=O)[C@@H](CC(=O)c1ccc(Br)cc1)n1cncn1 16844436 QJDDLTVJPKZADC-LLVKDONJSA-N 338.161 2.028 0 1 EEAF NCCC[C@H](N)C(=O)NC(Cc1ccccc1)Cc1ccccc1 1857576713 VRFFBMAZBSWKSU-IBGZPJMESA-N 325.456 2.023 0 1 EEAF COC(=O)Nc1cc(-c2c(C(=O)OC)n[nH]c2C)cc2[nH]ncc12 1857750719 MCUOIIONEVWCGA-UHFFFAOYSA-N 329.316 2.226 0 1 EEAF Cc1cccc(C(=O)N2C[C@H]3[C@H](CC(=O)Nc4cccnc4)[C@H]3C2)n1 503756699 DYZBLTNGGCCBFO-PHZGNYQRSA-N 336.395 2.132 0 1 EEAF C[C@@]12C(=O)N(CCN)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 1620038 BWXOIMSWNBJEFJ-PKZBPHAMSA-N 332.403 2.227 0 1 EEAF CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1cccc(F)c1 4388362 TZMPYRLBVZANFB-GOOCMWNKSA-N 340.420 2.036 0 3 EEAF aggregator CS(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2)cc1 100108456 PJULWIACZWVPPT-PIIMJCKOSA-N 328.437 2.053 0 1 EEAF CS(=O)(=O)Nc1ccc(N/C=C2\C(=O)Nc3ccccc32)cc1 28091430 UGKCASUMDGHTLI-UVTDQMKNSA-N 329.381 2.463 0 1 EEAF Cc1nc2nc[nH]n2c(=O)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 104281132 PHPKUPOGDWUMCF-UHFFFAOYSA-N 341.415 2.271 0 3 EEAF Cc1noc2ncnc(N3CCC(C(=O)Nc4ccccn4)CC3)c12 20944549 VXHMSINEZGOQMC-UHFFFAOYSA-N 338.371 2.176 0 1 EEAF CCOP(=O)(CC/C=C/Cn1cc(C)c(=O)[nH]c1=O)OCC 66112288 JXJDEYHZOLMLNR-VOTSOKGWSA-N 330.321 2.057 0 1 EEAF Cn1cnc(C(=O)NCc2ccccc2)c1C(=O)NCc1ccccc1 61949652 PJUNVFHZDPBKGH-UHFFFAOYSA-N 348.406 2.280 0 3 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3[C@@H]2C=C2CCCC(C)(C)[C@@]23O)OC1=O 2356556533 FIKOOQXJBAJJSE-QEPJRFBGSA-N 346.379 2.139 0 1 EEAF COc1ccc([C@H]2c3ccc(O)cc3O[C@@H]3NC(=O)NC(=N)[C@@H]32)cc1 64454176 JOCZQSNNSSPRJD-ZOBUZTSGSA-N 339.351 2.157 0 1 EEAF Cc1ccc(S(=O)(=O)N2Cc3ccccc3-n3nncc3C2)cc1 61942376 ZQYYOGFKZXKACD-UHFFFAOYSA-N 340.408 2.280 0 3 EEAF COc1ncc(C)cc1-c1cccc2c(N)c(C(=O)NC3CC3)nnc12 71282315 QPBUEBDNKGGQCP-UHFFFAOYSA-N 349.394 2.483 0 1 EEAF COc1cc2c3c(c1OC)-c1ccccc1[C@H]1C(=O)C(=O)N(CC2)[C@H]31 238758202 VHCGUBVZFHGPAY-IAGOWNOFSA-N 335.359 2.477 0 1 EEAF N=C(N)Nc1ccc(Oc2ccc(NC(=O)CCCN)cc2)cc1 95597068 KOHBHSBODJKFIA-UHFFFAOYSA-N 327.388 2.462 0 1 EEAF CC(C)[C@H](c1nc2c(O)nc(N)nc2[nH]1)N(C)C(=O)OC(C)(C)C 587198235 VDWJRKKQTQYUIT-SECBINFHSA-N 336.396 2.205 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)C[C@H]1CN(Cc2ccccc2)C[C@H]1C3 587559532 ZQVBDUXTGWEZSN-CABCVRRESA-N 348.406 2.283 0 1 EEAF COC(=O)C[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436378 PNWGETOQJXPMEC-KUHUBIRLSA-N 339.347 2.296 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@@H](C(=O)O)[C@@H](C(=O)O)C1)O2 587403901 MYPZDXMEELTIMJ-WKLVDUKDSA-N 347.367 2.113 0 1 EEAF CC(C)OC(=O)C1(c2nc3cccc(C(N)=O)c3[nH]2)CC(F)(F)C1 587131618 QBCQZWOILIGLKX-UHFFFAOYSA-N 337.326 2.280 0 1 EEAF COC(=O)c1cc(Br)c2[nH]c(CC3OCCO3)nc2c1 586909812 JAVUCIZLMLMHQU-UHFFFAOYSA-N 341.161 2.027 0 1 EEAF Cn1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C(F)(F)F)c1 587115355 KYFRADZCVLZIHI-UHFFFAOYSA-N 344.318 2.235 0 1 EEAF C[C@@H](NC(=O)[C@@H]1C(=O)c2cccc3c2N(CC3)C1=O)c1ccccc1 957743215 JNDSQNZDBSEXIO-WBMJQRKESA-N 334.375 2.266 0 1 EEAF O=C1COc2ccc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)cc2N1 1772622489 DGHGCFGABUFRQG-UHFFFAOYSA-N 348.362 2.338 0 1 EEAF COc1cc2c(cc1OC)[C@@H](C(=O)NC(C)C)[C@@H]1CCCCN1C2=O 5033968 YYTKSKISDNZTOL-WMLDXEAASA-N 346.427 2.320 0 3 EEAF C/C=C(/C)C(=O)OC[C@@](C)(O)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 15273849 IVIDHJTYZDMSNL-GYFQOEPXSA-N 344.363 2.357 0 1 EEAF biogenic,in-vitro NCc1cc(=NCc2cccc(C(=O)Nc3ccccc3)c2)[nH]cn1 1857616460 DNRKSUDQPPOKIO-UHFFFAOYSA-N 333.395 2.222 0 1 EEAF CC(=CCOc1ccc2ccc(=O)oc2c1)[C@H](O)[C@@H]1C[C@H](C)C(=O)O1 2356549041 PAARGKWPJAUKIO-IWEFOYFVSA-N 344.363 2.431 0 1 EEAF COc1cc(C(=O)c2ccc3[nH]c(=O)oc3c2)cc(OC)c1OC 72124765 BGHQVPMOIGBZRX-UHFFFAOYSA-N 329.308 2.378 0 1 EEAF COc1cccc(NC(=S)N2CCO[C@H](C3=CCCN(C)C3)C2)c1 40879906 KDZOZIJJZTVFLL-KRWDZBQOSA-N 347.484 2.355 0 1 EEAF CN1C(=O)[C@@]2(N=C1N)c1ccccc1OC21CCc2ccccc2CC1 141470634 JNZJTMDNPROKMG-NRFANRHFSA-N 347.418 2.379 0 1 EEAF CNC(=O)c1ccc(-c2cncc3sc(C(N)=O)c(N)c23)cc1 621430180 IWQZNSHRJPTJHF-UHFFFAOYSA-N 326.381 2.004 0 1 EEAF Oc1ccc([C@@H]2OC[C@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@@]23O)cc1 653766966 PRKMAOZUUWKOOK-QZHFEQFPSA-N 342.347 2.311 0 1 EEAF O=C1C[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@@H]3C2)Oc2c1ccc1c2CCCC1 587527692 VMUYBIAUNBSZFK-KRLKJCFRSA-N 341.407 2.352 0 1 EEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCNC[C@@H]2F 587573285 YSONXEWCTUJQAP-RLFYNMQTSA-N 329.327 2.424 0 1 EEAF O=C(NCc1nc2ccnc(Br)c2[nH]1)c1cscn1 587027460 DKWGXNPKVWVVJO-UHFFFAOYSA-N 338.190 2.107 0 1 EEAF COc1cc(O)cc2c1C(=O)[C@H]1OCc3c(ccc(O)c3O)[C@@H]1O2 13410934 XILDQPIWFUPOAO-DLBZAZTESA-N 330.292 2.027 0 1 EEAF biogenic Cc1c(/C=C/C(=O)N2CCN(C)CC2)c(O)c2c(O)cccc2c1O 169716733 WKSFUXUCJIDJGB-VOTSOKGWSA-N 342.395 2.052 0 1 EEAF COc1c(C)c2c(c(O)c1/C=C/[C@@H](C)CP(=O)(O)O)C(=O)OC2 169719418 CWGDQRHKUKCWHD-WTSVBCDHSA-N 342.284 2.207 0 1 EEAF CC(=O)N1CCC(Nc2ncccc2-c2cnc3[nH]ccc3n2)CC1 168811316 YKBQLVVJJHUKDV-UHFFFAOYSA-N 336.399 2.443 0 1 EEAF NCCNc1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1 205266821 OUQSBZMPAZAVIV-UHFFFAOYSA-N 331.383 2.453 0 1 EEAF COCC(=O)N1CCC[C@@]2(CCN(Cc3ccccc3OC)C2)C1 3955891 RSZCACKSIGPXEQ-IBGZPJMESA-N 332.444 2.156 0 1 EEAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N)[nH]c(=O)c2c1 40974261 ARHWJQAVEJWQCM-UHFFFAOYSA-N 334.379 2.373 0 1 EEAF CCCCn1nnnc1[C@]1(C)CCC(=O)N1CCOc1ccccc1 199215228 IIGUQUMSGGLIQM-SFHVURJKSA-N 343.431 2.390 0 3 EEAF CC(=O)Nc1c2n(c(=O)n(C(C)C)c1=O)C[C@H](CC1CCCCC1)N2 82210615 UOSXKIIQCWDFIA-AWEZNQCLSA-N 348.447 2.314 0 1 EEAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c[nH]c(=N)[nH]c-3n2)c1 587242616 XLRLHECAILQYID-UHFFFAOYSA-N 342.359 2.437 0 1 EEAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(O)ncnc2[nH]1 587041140 ADUWXLUZVHXCKV-SECBINFHSA-N 347.787 2.367 0 1 EEAF CCOC(=O)C[C@@H](C(=O)OCC)[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587397641 AEXWNVVPKTXLPA-IUODEOHRSA-N 349.383 2.044 0 1 EEAF CCOC(=O)CC[C@]1(C2CC2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963551334 NBBGQKKPSUEJLY-IFXJQAMLSA-N 347.411 2.248 0 1 EEAF CC(=O)[C@H]1[C@H](c2ccccc2Cl)NC(=O)N[C@@]1(O)C(F)(F)F 13137002 YGAIATAVOPJRDO-NHCYSSNCSA-N 336.697 2.150 0 1 EEAF CC(C)OC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 169295039 LLBUIDYEVHXNFM-NZBFACKJSA-N 343.379 2.388 0 1 EEAF CCOC(=O)[C@H]1C(C)=Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC 169690584 WVCFUNXSAZIWJA-LSDHHAIUSA-N 344.371 2.170 0 1 EEAF CCO[P@@](=O)(Oc1ccc(S(N)(=O)=O)cc1)c1ccccc1 1857549739 SKWKPUDZFINNSN-OAQYLSRUSA-N 341.325 2.268 0 1 EEAF CN(C)c1ccc(-c2cc3ncccc3c(NC[C@@H](O)CN)n2)cc1 13489188 XLZKRUWEKNKABO-HNNXBMFYSA-N 337.427 2.094 0 1 EEAF NC(=O)c1cccc(Nc2nccc(Nc3ccc4n[nH]nc4c3)n2)c1 28950569 XLAULLDWFHUVHP-UHFFFAOYSA-N 346.354 2.334 0 1 EEAF CO[C@H]1CC(=O)N[C@@H]2CC[C@H]3[C@@H]4CC[C@@H](C(N)=O)[C@@]4(C)CC[C@@H]3[C@]12C 26390089 AXHBIEPEDODFJJ-QWELCJGQSA-N 348.487 2.234 0 1 EEAF Cc1nonc1[C@H]1CCCN1CCC(=O)N1CCc2ccccc2C1 65409030 QATZCYIXDSVLSU-QGZVFWFLSA-N 340.427 2.490 0 1 EEAF Cc1n[nH]c(N)c1-c1nc2ccc(CN3CCOCC3)cc2s1 114400331 ZDZQWFBQUXJORD-UHFFFAOYSA-N 329.429 2.409 0 1 EEAF CC(C)CN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 6616063 CNWVNBVLZLWLBV-LJQANCHMSA-N 325.412 2.266 0 1 EEAF biogenic Cc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)c1 74379001 XODLTFCYMNEQEQ-IAGOWNOFSA-N 342.420 2.419 0 3 EEAF CCS(=O)(=O)c1cccc(Cc2nc3c(Cl)ncnc3[nH]2)c1 586923069 XNPJXGKSJIUEDF-UHFFFAOYSA-N 336.804 2.391 0 1 EEAF CCOC(=O)C[C@]1(CCOC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443177 UUDHRXWDAGQLJN-ACJLOTCBSA-N 334.368 2.171 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN)(CCC(=O)O)N1 587750357 SZEPBUNZXZIHLG-XLKFXECMSA-N 345.212 2.141 0 1 EEAF COC(=O)c1cc(Br)c2[nH]c([C@H](N)[C@H](C)F)nc2c1 587123396 IXGKUJRVROINGS-SSDLBLMSSA-N 330.157 2.470 0 1 EEAF COC(=O)c1cc2nc(CSc3nnc(S)s3)[nH]c2cn1 587024997 HSVQODNZEZUEBU-UHFFFAOYSA-N 339.427 2.177 0 1 EEAF CC1(C)OC(=O)C(c2nc3cc(Br)c(F)cc3[nH]2)=C1N 587255815 XYAQSGQGRUDKKG-UHFFFAOYSA-N 340.152 2.470 0 1 EEAF Nc1[nH]c(=NCc2cccs2)nc2sc(-c3cnccn3)nc12 1857637435 CMLKEDYTLQARSM-UHFFFAOYSA-N 341.425 2.221 0 1 EEAF COc1ccc2c3c1O[C@@H]1C(OC)(OC)C[C@@]4(C=C2)CN(C)CC[C@]314 105511913 FRGLCSZKHVYAEC-FHWLQOOXSA-N 343.423 2.436 0 1 EEAF CS[C@H]1NC(=O)C(=Cc2ccc(OCC=C(C)C)cc2)NC1=O 2356473394 DFTITSOGUUDLJM-QGZVFWFLSA-N 332.425 2.308 0 1 EEAF CO[C@@H]1O[C@H](O)[C@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5C[C@H]2N4[C@@H](C)[C@@H]13 2356475015 MCELWEQVMZEFMT-PMABGQMISA-N 340.423 2.411 0 1 EEAF C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 40873138 OWRBBFHZDDJXIW-BPODSCFKSA-N 328.456 2.489 0 1 EEAF O=C1[C@@]2(CO2)[C@H]2C[C@H](c3ccccc3)[C@]1(CO)C=C2Br 40822876 NUHDVHTZWKNFRO-NOXHYTERSA-N 335.197 2.399 0 1 EEAF Cn1c(=O)c2c(c3cc(OCc4ccccc4)ccc3n2C)n(C)c1=O 95595067 LBLUMRUIHKRZMS-UHFFFAOYSA-N 349.390 2.308 0 1 EEAF CCOC(=O)Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587777343 GBDHQNXIEBVDTQ-UHFFFAOYSA-N 327.134 2.129 0 1 EEAF COc1cc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc2cc1F 586930618 UFYKWOKCLFTRQZ-UHFFFAOYSA-N 335.360 2.166 0 1 EEAF COC(=O)c1ccc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc2c1 586951283 VWROEMBJQOMEFH-UHFFFAOYSA-N 345.380 2.388 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN(C)CCO)N1 587738938 DNSXBVWSRLIWPI-MEBBXXQBSA-N 345.256 2.262 0 1 EEAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(=O)c(OC)co1 963637585 SVWUFTCKESMBFU-MGNBDDOMSA-N 331.368 2.289 0 1 EEAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OCCO)c2cn1)c1ccccc1 1772583352 HLQUUUWCZLTQBT-LLVKDONJSA-N 341.371 2.212 0 1 EEAF COc1ccccc1-n1nc2c(N)nc(-c3ccccc3)cn2c1=O 1772587805 YISRNQZWXGMCBQ-UHFFFAOYSA-N 333.351 2.138 0 1 EEAF Cc1cc(C)n2nc(CC(=O)N3CCn4c3nc3ccccc34)nc2c1 1857567339 YDHBKABHMTZKAQ-UHFFFAOYSA-N 346.394 2.285 0 1 EEAF COCC(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1 3955947 JZVOXIIWZAAFKP-GOSISDBHSA-N 349.406 2.319 0 1 EEAF CCNC(=O)NC[C@@H]1COCc2nc3cc(C(F)(F)F)ccc3n21 2356300796 YASMTIVEGAMWGY-SNVBAGLBSA-N 342.321 2.446 0 1 EEAF COC(=O)C(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1 26387493 WHWAIHZFCGAMMH-UHFFFAOYSA-N 343.335 2.285 0 1 EEAF CC(C)[C@@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1 28118502 GOBKVUOSMJDFOP-OAHLLOKOSA-N 329.404 2.072 0 1 EEAF Cc1c(-c2ccccc2)c(=O)oc2cc(OS(N)(=O)=O)ccc12 28019406 FRXDFQUHNQICLI-UHFFFAOYSA-N 331.349 2.351 0 1 EEAF Cc1ccc2c(CN3CCN(C4=CC=C[CH]N4)CC3)cc(=O)oc2c1 2356820227 VHGOLJWEJUBREC-UHFFFAOYSA-N 336.415 2.382 0 1 EEAF CCCOc1ccc(OCCCON2C(=N)NC(=N)NC2(C)C)cc1 45324328 ROCSKJGLCLFCCR-UHFFFAOYSA-N 349.435 2.276 0 1 EEAF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)C)C[C@]1(C)[C@@H](O)CCC(=C)[C@H]21 15056841 KPKVDWQJGWXVTN-NCMUWALVSA-N 334.412 2.389 0 1 EEAF biogenic O=S(=O)(c1ccccc1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 136806072 FDYPBYQEBCFWLS-ZACQAIPSSA-N 332.469 2.205 0 1 EEAF CCCOc1ccc2c(c1)CCN[C@H]2c1ccc(S(N)(=O)=O)cc1 84653834 LCSOKKPGIKPBDO-SFHVURJKSA-N 346.452 2.358 0 1 EEAF CC(C)CNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](C)CN2 82211555 YZXTYBXWGIVVKU-CYBMUJFWSA-N 328.416 2.113 0 1 EEAF COC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441721 HCCHZHMTBPWCPL-BLVKFPJESA-N 346.379 2.360 0 1 EEAF COC[C@@]1(CC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587796185 SJHZYYUYZIVYAN-XLKFXECMSA-N 346.196 2.439 0 1 EEAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccc(O)cc1)[C@@H](C2)C3=O 587453598 ZOIPJHKNFGCYSU-SCLBCKFNSA-N 326.304 2.128 0 1 EEAF O=C1CCCCCN1CC(=O)n1ncc2ccc(Cl)cc2c1=O 587655220 XBXQCDIQMKJNER-UHFFFAOYSA-N 333.775 2.093 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(=O)c(OC)co1 963637588 SVWUFTCKESMBFU-XTZNXHDOSA-N 331.368 2.289 0 1 EEAF CN1C(=O)C[C@H]2CN[C@@]3(CCc4cc(CN)ccc43)c3cccc1c32 963034097 XJASAEFGHGATNM-YCRPNKLZSA-N 333.435 2.388 0 1 EEAF O=C(O)/C(=C/c1ccc(O)cc1)[C@@H](C(=O)O)C(=O)c1ccc(O)cc1 13385275 TUOXWFIJOOGTSU-AAWPKVBNSA-N 342.303 2.150 0 1 EEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1c(F)cccc1F 4034433 IACFGXXXGCHYSI-OWLDWWDNSA-N 346.333 2.101 0 1 EEAF CC(=O)N1CCc2cc(CNS(=O)(=O)c3cccs3)ccc21 8599304 MZDBUSCREUVNDZ-UHFFFAOYSA-N 336.438 2.136 0 1 EEAF Cc1cc(C)n2nc(NS(=O)(=O)c3ccc(Cl)cc3)nc2n1 26021345 WJFBWEHPQJSDIM-UHFFFAOYSA-N 337.792 2.195 0 1 EEAF Cc1nc2c(cnn2-c2cncnc2)c(=O)n1-c1ccc(Cl)cc1 28951902 XSMBZTWKVDUZDI-UHFFFAOYSA-N 338.758 2.323 0 1 EEAF CC(C)CNC(=O)[C@@]1(C)CCCN1C(=O)c1ccc2c(c1)CCO2 61906841 RQCKZYNIWSLZPE-LJQANCHMSA-N 330.428 2.388 0 3 EEAF C=CC(=O)N[C@@H]1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1 1911581997 VJHXYTPNEXOSJV-CYBMUJFWSA-N 340.427 2.155 0 1 EEAF CN(C(=O)CCN)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 254051152 NRZHABHJABWKHC-SRCQZFHVSA-N 339.430 2.201 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)cc1 586951138 UZIZJUUWNKSCHW-UHFFFAOYSA-N 331.353 2.300 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@H](C(=O)O)[C@@H](C(=O)O)C1)O2 587403898 MYPZDXMEELTIMJ-ANUOLGOYSA-N 347.367 2.113 0 1 EEAF Cc1c(-c2nc3cnnc(O)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073659 KTUCPDDKWRYNEP-UHFFFAOYSA-N 341.762 2.327 0 1 EEAF COc1cc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc2cc1C 586930097 LPVSVIWFWXYYGV-UHFFFAOYSA-N 331.397 2.335 0 1 EEAF COc1ccc(Cc2ccc3c(O)nc(O)nc3n2)c(C)c1OC 587560171 XGJSTTFFGVWAER-UHFFFAOYSA-N 327.340 2.352 0 1 EEAF COc1cc(N)c([C@@]2(C)NCCc3c(C(=O)O)cccc32)cc1OC 963127967 YUNXOLNRNYWMPZ-IBGZPJMESA-N 342.395 2.393 0 1 EEAF c1cnc(NCC2CCN(C[C@H]3COc4ccccc4O3)CC2)nc1 13799875 OLBKIOIWVFSFFV-INIZCTEOSA-N 340.427 2.441 0 1 EEAF C[C@@H](c1ccccc1)n1cc(C(=O)NCCCN2CCCC2)nn1 203475637 WUKAHABOZPDGMI-HNNXBMFYSA-N 327.432 2.103 0 3 EEAF Cc1nc2c(c(=O)[nH]1)-c1cc(I)ccc1CC2 13832473 SJOMEDACMXHFNB-UHFFFAOYSA-N 338.148 2.449 0 1 EEAF CC(C)N1CCN2[C@@H](CN(C(=O)NCc3ccccc3)CC2(C)C)C1 2356341001 CVBISSTWKAVXPD-GOSISDBHSA-N 344.503 2.385 0 1 EEAF 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PZRLZTDKTOVBJT-XYZCENFISA-N 336.340 2.136 0 1 EEAF biogenic C=C(C)C(=O)O[C@@H]1CC(=C)[C@@H]2C(=O)C=C(C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]21 15059840 JSJWMSSGVMTDCV-NRKLIOEPSA-N 328.364 2.293 0 1 EEAF biogenic CC(=O)c1c(OCCN2CCOCC2)ccc2c(C)cc(=O)oc12 71295422 SFKNCEJGVDBIAG-UHFFFAOYSA-N 331.368 2.015 0 1 EEAF O=C1CCCN1CCCNc1ncc2ccn(-c3ccccn3)c2n1 40565084 MJMXFZGFRVIWNY-UHFFFAOYSA-N 336.399 2.240 0 1 EEAF CCCCCC(=O)N1CC[C@@H](CC(=O)N(C)CCO)[C@H](CC)C1 25428041 JXYNTJAXIYYUKQ-CVEARBPZSA-N 326.481 2.282 0 1 EEAF biogenic Cc1noc(-c2ccc(N3C[C@@H](Cn4ccnc4)OC3=O)cc2)n1 96928834 PQGATDOUNBLDHE-CQSZACIVSA-N 325.328 2.267 0 1 EEAF C[C@@H]1O[C@H](SCCC23CC4CC(CC(C4)C2)C3)[C@H](O)[C@@H](O)[C@@H]1O 253685782 HWVMUFHBNMDWTI-HGWRZFJWSA-N 342.501 2.154 0 1 EEAF COC(=O)c1noc(C)c1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436186 MWHKQHSMMTXYMW-ZMZPIMSZSA-N 343.335 2.441 0 1 EEAF N=c1[nH]cc2nc(-c3ccnc(Cl)c3Br)nc-2[nH]1 586979604 RLBSNYPKMITNPF-UHFFFAOYSA-N 325.557 2.195 0 1 EEAF COc1ncc(C)cc1[C@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963490570 KUJCUHMIDFMOGT-LIRRHRJNSA-N 342.395 2.275 0 1 EEAF CC(C)Oc1cc(C(=O)NCCN2CCOCC2)c2ccccc2n1 216561289 GDFBAIOQHIZSMT-UHFFFAOYSA-N 343.427 2.084 0 1 EEAF COc1ccc(CN2CCC(=O)N([C@H](CO)CC(C)C)CC2)cc1 12474388 RHMJTBZVILEWKY-KRWDZBQOSA-N 334.460 2.137 0 3 EEAF COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@H](OC(C)=O)C2=O 14728243 MXFVIYRBYOWKKJ-MSOLQXFVSA-N 344.319 2.355 0 1 EEAF biogenic O=C(Nc1ccccc1)C1=C2c3ccccc3S(=O)(=O)N2CC1 1018289 ZZZZAZWPVZHFGD-UHFFFAOYSA-N 326.377 2.444 0 1 EEAF Cn1cc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)cn1 2356299664 LBZIOTAODHRTAO-XJKSGUPXSA-N 329.379 2.036 0 1 EEAF Brc1cc(N2C[C@@H]3CN[C@@H]3C2)cnc1Br 28866082 GVVFNYMGPONAFJ-IMTBSYHQSA-N 333.027 2.015 0 1 EEAF Cc1nnc2c(N[C@H]3CCOC3)cc(N(C)Cc3ccccc3)nn12 213518075 ARBXMSKQHDAZJA-HNNXBMFYSA-N 338.415 2.270 0 1 EEAF NC(=O)C1=CN(Cc2ccccc2)C=C(C(N)=O)C1c1ccccc1 45317866 PVRAWXBXPDXGON-UHFFFAOYSA-N 333.391 2.024 0 1 EEAF COc1ncc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cn1 145140063 ANMGGNMIYKBQII-UHFFFAOYSA-N 341.375 2.028 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1[C@@H]2C[C@@H]3C[C@H]1CN(C2)C3 299841530 NXFATKJPSQMNCO-IUJZWZRDSA-N 349.862 2.248 0 1 EEAF investigational C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O 653723654 WSRQDGKCDIHPPB-KIPSEXQHSA-N 348.439 2.305 0 1 EEAF O=C(c1cncnc1)c1c(CO)oc2cc(Br)cnc12 587276602 OQVKEEDRBZIIQW-UHFFFAOYSA-N 334.129 2.104 0 1 EEAF C[C@@]1(c2nc3cccc(C(N)=O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173674 GHEGNWAQLGFFHI-SFHVURJKSA-N 339.326 2.429 0 1 EEAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCCO3 586960321 AZPBIAYSPIKISA-SSDOTTSWSA-N 345.384 2.265 0 1 EEAF CC(C)(C)OC(=O)N(Cc1nc2ccnc(N)c2[nH]1)C[C@@H]1CCCO1 587197130 JLRIYVLQWWLLNZ-NSHDSACASA-N 347.419 2.456 0 1 EEAF CCc1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c1 586928963 OYWLRMJDFZSPJG-UHFFFAOYSA-N 330.413 2.341 0 1 EEAF CN1C(=O)C[C@@H]2CN[C@@]3(CCCc4nc(N)ccc43)c3cccc1c32 963023916 JAWUTBWVKRKMJJ-MPBGBICISA-N 334.423 2.297 0 1 EEAF O=C(O)CC[C@@H]1CC(c2ccc(OCC3CCNCC3)cc2)=NO1 13760788 XRAIJRDBBSUIAG-MRXNPFEDSA-N 332.400 2.423 0 1 EEAF CC(=O)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 169701182 LJHLCZGBJRYUDE-HNNXBMFYSA-N 325.372 2.069 0 1 EEAF C/C(=C\C(=O)O)C(=O)N(C)c1ccccc1I 1654050 ZVHBWGUTGJPJDS-BQYQJAHWSA-N 345.136 2.285 0 1 EEAF COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCCN4CCC[C@@H](O2)[C@H]4[C@H]3[C@@H]1C 136961812 LXAQGNNSRKLTLE-GNFKBLLDSA-N 347.411 2.311 0 1 EEAF O=C1CSCN1CCCCN1CCN(c2ccc(F)cc2)CC1 12356078 KMJQEKNRQDMGCF-UHFFFAOYSA-N 337.464 2.261 0 1 EEAF COc1cc2c(c(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)c1)O[C@H](C)C2 100870550 HEGCNUMCFQIISG-UGFHNGPFSA-N 330.428 2.374 0 1 EEAF CCOC(=O)Cc1cc(O)cc2oc(C=CC[C@H](C)O)cc(=O)c12 2356720458 ARUOHFOMZRRRLQ-NSHDSACASA-N 332.352 2.388 0 1 EEAF CNc1ncc(-c2cncc(NS(=O)(=O)c3ccccc3)c2)cn1 73168377 CAAVZSAOPQOTHF-UHFFFAOYSA-N 341.396 2.381 0 1 EEAF Cc1cc(C(=O)NCC(F)(F)F)c2c(C3CCNCC3)noc2n1 71995462 BOHVMDSSPBXGDR-UHFFFAOYSA-N 342.321 2.290 0 1 EEAF O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1Cc1c[nH]cn1 32590172 URCYBAJOSOZILR-QGZVFWFLSA-N 336.399 2.199 0 1 EEAF CCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@H](C(C)C)N2 82206183 VFDIGLQHAYFGTK-CYBMUJFWSA-N 332.404 2.075 0 1 EEAF Cc1ccc(C(=O)O)c(O[C@H]2CC[C@H]3CN[C@H](C(=O)O)C[C@H]3C2)c1 96939192 JZWZZLGDMFRBDE-XFMPKHEZSA-N 333.384 2.303 0 1 EEAF O=[n+]1[nH]n(Cc2ccccc2)c(Br)c1Br 377841291 YLDHKZYQUBPTHA-UHFFFAOYSA-N 333.991 2.304 0 1 EEAF Cc1cnc(C(=O)NN2C(=O)CS[C@H]2c2ccc(Cl)cc2)cn1 653918439 GQDRYKPLUGNPEQ-HNNXBMFYSA-N 348.815 2.357 0 1 EEAF COC(=O)[C@@H]1C[C@@]2(CCN1)CC(=O)c1ccc3c(c1O2)CCCC3 587525194 TVIXIFKSSQQVLP-KXBFYZLASA-N 329.396 2.194 0 1 EEAF COC(=O)c1cc(OC)n(-c2ccnc(Br)c2)c1OC 587941419 VFQFOZXCERNHRT-UHFFFAOYSA-N 341.161 2.439 0 1 EEAF Cn1cc([C@@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517952 XYVOIBSCZXXGNP-GOSISDBHSA-N 326.352 2.244 0 1 EEAF O=C(NC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CC1 587572725 QJAISIFREINZNL-HZPDHXFCSA-N 339.347 2.249 0 1 EEAF O=C1O/C(=C/c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c2ccccc21 586906774 QQTXFFGHAYBJGR-RIYZIHGNSA-N 342.332 2.478 0 1 EEAF NC(=O)CCCNC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 164751907 MZCXENPYGXGODS-UHFFFAOYSA-N 340.358 2.364 0 1 EEAF C[C@@H](NC(=O)OC1CCCCC1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101506442 QTOGVWKNZNBBNK-ZCRGAIPPSA-N 332.400 2.198 0 3 EEAF COC(=O)CCc1ccc(OC[C@@H](O)CNCc2ccccc2)cc1 29209901 ALZSZHREWOBRCT-SFHVURJKSA-N 343.423 2.322 0 1 EEAF CC1=CON(C2CCN(C(=O)n3oc(=O)c(C(C)C)c3C)CC2)C1 26846781 IDSRCNJBGXOSGL-UHFFFAOYSA-N 335.404 2.457 0 1 EEAF O=C(C[C@H]1CCc2cccc3[nH]c(=O)c(=O)n1c23)Nc1ccccc1 29325696 AKBUSQHXJJYCAQ-CQSZACIVSA-N 335.363 2.206 0 1 EEAF CC=C(C)C(=O)O[C@@H]1C=CC(=O)O[C@@H]1C=C[C@H]1OC(C)(C)O[C@H]1C 2356618570 ZOEOJWDEJWCENT-GBJTYRQASA-N 336.384 2.442 0 1 EEAF COC(=O)C1=C(N2CC=CC2)[C@@H]2c3ccccc3S[C@]12C(=O)OC 36152482 JOOFCOJJOMBCNM-UGSOOPFHSA-N 343.404 2.100 0 1 EEAF COc1ccc2[nH]nc(-c3cc(N4CCO[C@@H](C)C4)ncn3)c2c1 225556914 WDYDDVZVZCHPMB-NSHDSACASA-N 325.372 2.254 0 1 EEAF CNc1cc(C)nc([C@@H]2COCCN2CCOc2ccc(F)cc2)n1 257227113 FNSUEJRWGGNHDR-INIZCTEOSA-N 346.406 2.418 0 1 EEAF Cc1noc(C)c1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@H]21 299843104 MIYJTWWEUOPCFI-JFIYKMOQSA-N 329.400 2.497 0 1 EEAF Cc1cc(C)n2ncc(C(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)c2n1 653795688 XAKHQMQFIBQWBI-QABYGRRUSA-N 340.427 2.016 0 1 EEAF CC(C)(C)OC(=O)N(Cc1nc2cc(N)ncc2[nH]1)C[C@@H]1CCCO1 587196718 AZYYITALQFKUKD-NSHDSACASA-N 347.419 2.456 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@H](O)OC2)N1 587834737 SDQGGHYVFSUFQZ-XPLICSAQSA-N 328.181 2.223 0 1 EEAF CCOC(=O)[C@H](c1ccccc1)c1ccc2c(O)nc(O)nc2n1 587559716 LXKXBNDJBGXNOZ-CYBMUJFWSA-N 325.324 2.131 0 1 EEAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(CO)cc3[nH]2)c1 586922177 RETWACBBHVWZCZ-UHFFFAOYSA-N 330.409 2.440 0 1 EEAF CC(=O)N1CCC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1 203782353 TZLKQKCGJBWURI-PKOBYXMFSA-N 325.412 2.462 0 1 EEAF O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(=O)[nH]c1)c1ccc(F)cc1 169350881 CWJQVVVNDRSYCH-DLBZAZTESA-N 343.402 2.345 0 1 EEAF COc1ccc(-c2nc(SCC(=O)O)n[nH]2)c(Cl)c1OC 205426574 AWXCJPRWMBKNTO-UHFFFAOYSA-N 329.765 2.319 0 1 EEAF COc1cc(C)nc(N(C)S(=O)(=O)c2ccccc2Cl)n1 182374 FFRSNGLXNNZINH-UHFFFAOYSA-N 327.793 2.272 0 3 EEAF Cc1cccc(N2CCN(CCCCN3CSCC3=O)CC2)c1 1547051 KARSQFDNXAMHMU-UHFFFAOYSA-N 333.501 2.430 0 1 EEAF O=C(c1ccco1)N1CCN(C(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)CC1 6859348 QMVGBTHMAMOUMG-MJBXVCDLSA-N 333.457 2.101 0 1 EEAF CCCCCO/C(O)=C1\C(C)=N[C@]2(O)c3ccccc3C(=O)[C@@]12O 104070539 HAELVZBIHRISLW-YERQVDBCSA-N 331.368 2.210 0 1 EEAF CS[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@@](C)(SC)NC1=O 13413577 WZCXTZDWTILORX-CVEARBPZSA-N 349.481 2.095 0 1 EEAF biogenic Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NC1CCCC1 82203094 MNUZHQZPRKIXTL-UHFFFAOYSA-N 339.447 2.256 0 1 EEAF COC(=O)[C@H]1CNCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525512 NRPJYCZEPGXDKQ-BEFAXECRSA-N 329.396 2.052 0 1 EEAF C[C@@H](Oc1cccc([C@@]2(C)c3nn(C)cc3CCN2C)c1)C(=O)O 963955375 PMBRRQKOJJSLGW-XIKOKIGWSA-N 329.400 2.023 0 1 EEAF CC(C)CC(=O)c1c(O)cc(O)cc1OC[C@H](O)CNC(C)(C)C 1772587756 UWTOUZPELWCYJE-CYBMUJFWSA-N 339.432 2.454 0 1 EEAF C[C@]12C(=O)O[C@@H]3C[C@H]4c5occc5C(=O)C[C@H]4[C@@]4(CC[C@@]1(O)OC4)[C@@H]32 1772585373 CBUZTSOSSFLWTE-NLQGKHLCSA-N 344.363 2.016 0 1 EEAF Cc1nc([C@H]2C[C@H]2c2nnc(C)s2)cc(-n2nc(C)nc2C)n1 205278624 ZCJVIWWSDNFKPN-NWDGAFQWSA-N 327.417 2.414 0 1 EEAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNC(=O)c2ccco2)CC1 2356310908 UOVXKASBTAJDKS-KSZLIROESA-N 345.487 2.452 0 1 EEAF CC[C@H](O)[C@@H]1C[C@H](O)[C@@H](C=C[C@H](O)CCCCCCCC(=O)O)O1 2356328559 BHWUKOCNOLCGLB-HMDCTGQHSA-N 344.448 2.008 0 1 EEAF COCCn1c(=O)cnc2cnc(Oc3cccc(Cl)c3)nc21 4238845 BXGMZLQORCMYJB-UHFFFAOYSA-N 332.747 2.279 0 1 EEAF Nc1ccc(C2=NNC(=O)Cc3cc4c(cc32)OCCO4)c(Cl)c1 28563359 AZWSZDNVFRFHCN-UHFFFAOYSA-N 343.770 2.118 0 1 EEAF C[C@H](OC(=O)[C@@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)[C@@H](C)O 29485297 GOHDSZGHAHFEHG-FETDOPKISA-N 342.439 2.440 0 1 EEAF COc1ccccc1CCCn1cccc(/C=C/C(=O)NO)c1=O 143990131 HTNXJMHJVPRZKP-ZHACJKMWSA-N 328.368 2.008 0 1 EEAF Cc1cnc2[nH]ccc2c1NCc1cccnc1N(C)S(C)(=O)=O 95597541 WVRLCJBOALKTND-UHFFFAOYSA-N 345.428 2.274 0 1 EEAF Cc1[nH]nc(O)c1[C@@H](c1ccccc1Cl)c1c(O)nc(O)nc1O 653754325 POAFRBGFRPCEEJ-SNVBAGLBSA-N 348.746 2.164 0 1 EEAF COc1nccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587007702 DBOAPUJIKBXQLT-UHFFFAOYSA-N 345.160 2.439 0 1 EEAF Nc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cn1 587005783 SJTDSQKCJRNGDG-UHFFFAOYSA-N 325.557 2.413 0 1 EEAF CN(C)S(=O)(=O)c1ccc(-c2nc3ncc(Cl)cc3[nH]2)o1 586930869 JFWLBZNHQQXMSX-UHFFFAOYSA-N 326.765 2.122 0 1 EEAF CCOC(=O)C[C@]1(c2ccco2)N[C@H](C(=O)O)Cc2cccc(F)c21 962897960 DOBHUNQCKBRPEZ-SCLBCKFNSA-N 347.342 2.214 0 1 EEAF C[C@@H](C(=O)O)n1cccc1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963030362 NMIJRLJBWDGWDY-IUUKEHGRSA-N 339.395 2.276 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(=O)c(OC)co1 963637589 SVWUFTCKESMBFU-YPMLDQLKSA-N 331.368 2.289 0 1 EEAF O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 5632483 HRIMAEHEKSQLQV-USZNOCQGSA-N 327.258 2.298 0 1 EEAF CC[C@H](C(=O)N1CCCC1)n1nc(C)n2c(cc3occc32)c1=O 5149733 IIPKXQUDNVYZSQ-GFCCVEGCSA-N 328.372 2.124 0 1 EEAF Nc1nc(-c2ccc(P(=O)(O)O)o2)c(Sc2ccccc2)o1 169320857 IBIJSTSDYCGVJN-UHFFFAOYSA-N 338.281 2.471 0 1 EEAF C[C@H](NC(=O)CCC1=NC(=C2N=CN=N2)NO1)c1ccc(F)cc1F 1857592198 WBIGWUVARGLAOF-QMMMGPOBSA-N 348.313 2.476 0 1 EEAF CC(C)C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)N(C)C(=O)C2(C)C)c1 114108558 OEUSFIMFURPYBJ-GOSISDBHSA-N 348.422 2.448 0 1 EEAF C[C@@H](O)[C@@H]1CC(=O)[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C=C1C[C@H]3O 2356501824 OASBCMLUEZFXHQ-KHNXMNTPSA-N 348.483 2.457 0 1 EEAF O=C(CO)Nc1ccc2c(=O)n(Cc3ccc(Cl)cc3)cnc2c1 40834135 MJTOJICEZUEUSN-UHFFFAOYSA-N 343.770 2.029 0 1 EEAF C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)C[C@@H](C)C1=O 299860446 GQRXXGYAFMFWJK-ZJUUUORDSA-N 342.317 2.105 0 1 EEAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587971312 ZBCNRLVMUQYGEV-RNLVFQAGSA-N 332.209 2.220 0 1 EEAF CCCc1sc(N)nc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587013554 QJCSCAWBODYDJY-UHFFFAOYSA-N 338.414 2.468 0 1 EEAF N[C@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)C[C@H]1c1ccccc1F 587153776 CSKMJKNBWGPYSM-MEDUHNTESA-N 347.371 2.290 0 1 EEAF C=C(C(=O)O)c1cc(O)n(-c2c(N)cccc2Br)c1O 587936454 JEVFECICLLRJFN-UHFFFAOYSA-N 339.145 2.331 0 1 EEAF C[C@]1(CN2C(=O)CCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587517765 URXBUCQIWRNZLS-LJQANCHMSA-N 327.380 2.438 0 1 EEAF COc1cnc(-c2ccccn2)nc1NS(=O)(=O)c1ccccc1 145475427 CYMIYHAESUZCRU-UHFFFAOYSA-N 342.380 2.348 0 1 EEAF O=C(O)C[C@H](NC(=O)CCc1ccc(-c2ccccc2)cc1)C(=O)O 1772577303 OJADNAIDWIDUHR-INIZCTEOSA-N 341.363 2.330 0 1 EEAF O[C@H]1OC[C@H](COc2cc(Cl)c(Cl)cc2Cl)O[C@@H]1O 17197279 JGIHPWVJUMJHHI-JRQYAKLXSA-N 329.563 2.078 0 1 EEAF CCCOc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169303070 FSCQVYBJKCUYMM-YSTXNKLSSA-N 327.424 2.281 0 1 EEAF Cc1ccccc1C(=O)c1cccn1CC(=O)NC[C@H]1CCCO1 4437314 OJLFVHMIDPWDAD-OAHLLOKOSA-N 326.396 2.323 0 3 EEAF COc1ccc(CN[C@@H]2[C@H](c3ccc(OC)cc3)C[C@H](O)[C@@H]2O)cc1 2356287668 NKHLXKKTMONSTK-HAGHYFMRSA-N 343.423 2.071 0 1 EEAF CC(=O)N1C[C@@H]2CC[C@@](C)(C1)c1ccc(OP(=O)(O)O)cc12 101193304 CIPTXXZNGNDHLX-NHYWBVRUSA-N 325.301 2.155 0 1 EEAF C[C@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@@H]3C[C@@H](C[C@@H]12)OC3=O 104370905 QEANLIISUSNNDX-ONCJGSTBSA-N 344.363 2.383 0 1 EEAF in-man Oc1ccc(CC[C@@H]2CC[C@@H](O)[C@](O)(c3ccc(O)cc3)O2)cc1 2356428462 MJXQJVSQSNSYPR-QRVBRYPASA-N 330.380 2.416 0 1 EEAF COc1ccc(Cc2cc(C3CCN(C(C)=O)CC3)nc(N)n2)cc1 28760968 XLSJWBRYNNUEBR-UHFFFAOYSA-N 340.427 2.384 0 1 EEAF Oc1ccc(CC[C@H]2C[C@@H](O)[C@H](O)[C@@H](c3ccc(O)cc3)O2)cc1 39176902 RBJGEWFAPDFFEA-ZSYWTGECSA-N 330.380 2.282 0 1 EEAF biogenic,in-vitro CC1(C)Oc2cc3oc(C4(O)CCCC4)cc(=O)c3c(O)c2C[C@H]1O 85593597 DLJBZDCGEFOJAQ-CQSZACIVSA-N 346.379 2.335 0 1 EEAF biogenic,in-vitro Cc1c(CN2CCN(C(=O)NCCO)CC2)sc2ccccc12 43078280 YBRFWVUMSROKGY-UHFFFAOYSA-N 333.457 2.029 0 1 EEAF CN1CCN(/C=C2\CCn3c2nc(=O)c2c(Cl)cccc23)CC1 653862920 VLPRXFLUVHYBBT-VAWYXSNFSA-N 330.819 2.042 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nonc2N)N1 587744078 GEXHACOMHMQMGU-UANNBLPKSA-N 341.184 2.351 0 1 EEAF COC(=O)c1ccc(-n2c(O)cc(C)c2OC)c(O[C@@H]2CCOC2)c1 587926471 YYLYRMZGLJUYJH-CYBMUJFWSA-N 347.367 2.454 0 1 EEAF NS(=O)(=O)c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 587781416 UVYGGUSZXDLJIC-QPJJXVBHSA-N 343.408 2.440 0 1 EEAF CNC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587746189 YUDASAQZZCEYDR-RTHLEPHNSA-N 329.213 2.474 0 1 EEAF COc1cc(Cc2cnc(N)nc2N)cc(OC)c1-n1cccc1 5853495 UKZISKAMNXJJKQ-UHFFFAOYSA-N 325.372 2.040 0 1 EEAF O=C(O)CC[C@H]1CC(c2ccc(OCC3CCNCC3)cc2)=NO1 13760789 XRAIJRDBBSUIAG-INIZCTEOSA-N 332.400 2.423 0 1 EEAF CC[C@H](c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)n1cnnc1 13863012 LEYPOMSTRVKGIO-MRVPVSSYSA-N 340.170 2.114 0 1 EEAF O=C1N[C@H](CO)[C@@H](c2ccc(O)cc2)O[C@@H]1c1c[nH]c2ccccc12 14618902 XVQKMMBQSFYTQX-KZNAEPCWSA-N 338.363 2.163 0 1 EEAF biogenic CCCC(=O)OCSc1ccccc1C(=O)NCCCC(N)=O 1857567276 KDSVASOZNRMCHU-UHFFFAOYSA-N 338.429 2.075 0 1 EEAF CCOC(=O)c1c2ccccc2n2c(=O)n(-c3ccccc3)nnc12 1862659 MVBRMPHSRUYJTQ-UHFFFAOYSA-N 334.335 2.210 0 1 EEAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC(=O)[C@H]1[C@@H]3C[C@@H](C[C@@H]12)OC3=O 100494633 FJCWYLRNGKSUCH-QXTOIGAJSA-N 344.363 2.431 0 1 EEAF in-man CC(C)Nc1nc(N2CCN(C)CC2)nc(Cl)c1Br 29205458 VVOIXIDITDXJHG-UHFFFAOYSA-N 348.676 2.465 0 1 EEAF CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc1 100863095 FPDLFUOECYLQDS-GBOPCIDUSA-N 329.352 2.325 0 1 EEAF CCCn1c(O[C@@H]2CC[C@H](O)C2)nc2nc(C3CCCC3)[nH]c2c1=O 117405586 PNEYYIGJYQFLFP-QWHCGFSZSA-N 346.431 2.479 0 1 EEAF Cn1ncc2c(SCc3ccccc3)nc(N3CCOCC3)nc21 89469676 GFFRXZDFGLQQPP-UHFFFAOYSA-N 341.440 2.492 0 1 EEAF CN1C[C@H](C(=O)N(C)[C@@H](CN2CCCCC2)c2ccccc2)CC1=O 621431469 KZUHYRJBEQZTQY-MSOLQXFVSA-N 343.471 2.150 0 1 EEAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccccn3)c2)c1 653895432 KYNLYZVRVJTFBT-UHFFFAOYSA-N 348.362 2.407 0 1 EEAF O=C(O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 587128194 IJKMORCMLGQOCY-UHFFFAOYSA-N 330.254 2.303 0 1 EEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1COC1COC1 587614991 FBLHIMYXPHTVOH-JKSUJKDBSA-N 328.320 2.138 0 1 EEAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccnc(O)c2[nH]1 587193751 GKQBLLKSVZJAJM-LLVKDONJSA-N 335.408 2.181 0 1 EEAF CCOC(=O)[C@@H]1CNCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522129 DRSSNCBUXZSLMS-JXFKEZNVSA-N 343.423 2.442 0 1 EEAF Oc1nc(O)c2cc(Cc3cccc(C4OCCO4)c3)cnc2n1 587563352 RMVZOMCVXFUBNM-UHFFFAOYSA-N 325.324 2.072 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)NC[C@H]2C)N1 587793084 JMVWLUKVFKVSSZ-XWRVAKJBSA-N 341.224 2.474 0 1 EEAF CC(=O)[C@@H]1C(=O)[C@@H]2c3c[nH]c4cccc(c34)C[C@@H]2C(C)(C)N(C)C1=O 957950733 VPZKRDKLOIHUTM-YSVLISHTSA-N 338.407 2.449 0 1 EEAF CC(=O)C[C@@]1(c2nccs2)N[C@H](C(=O)O)Cc2cccc(F)c21 962901759 LEPZJQLJUUUCFK-BLLLJJGKSA-N 334.372 2.104 0 1 EEAF COc1cnc([C@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cn1 963610289 OVVVUWWMRIFDLE-VOJFVSQTSA-N 329.400 2.300 0 1 EEAF CCOC(=O)[C@]1(c2cccs2)N[C@H](C(=O)O)Cc2cccc(F)c21 962897984 OBZCXQXNVLHWSA-YVEFUNNKSA-N 349.383 2.293 0 1 EEAF NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCNC2 143016695 JQGZXGVXUOAODE-UHFFFAOYSA-N 335.816 2.398 0 1 EEAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ncccn1)c2=O 1857552588 RLSVFUTWMGTVCN-UHFFFAOYSA-N 345.790 2.396 0 1 EEAF O[C@@H]1C[C@@H]2CC[C@@H]3N4CCC[C@@H]5CCC[C@@H]([C@@H]6OC[C@H](C1)[C@@H]2N63)[C@@H]54 2356390102 QGSCHHAXALLULW-QQJFRZLJSA-N 332.488 2.415 0 1 EEAF CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C 7998207 XHGSXZXWBLXYTP-GFXBQONCSA-N 340.416 2.281 0 1 EEAF CNC(=O)[C@@H]1CC=C[C@@H]1n1cnc2c(NCc3ccccc3)ncnc21 29132319 KUVDTWVQJGRKFO-CABCVRRESA-N 348.410 2.302 0 1 EEAF CN1CC[C@H](Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)C1 28959852 ATHMGOYFJBTTHP-HNNXBMFYSA-N 336.395 2.412 0 1 EEAF O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1CCO 27861018 RWLXWSVSPDSYGJ-UHFFFAOYSA-N 332.363 2.217 0 1 EEAF Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC[C@H]1CCNC1 62224943 SVYBIOOQQZRSEQ-GFCCVEGCSA-N 349.866 2.168 0 1 EEAF COC1=C(C)C(=O)OC1=C(O)[C@H](C)[C@@H]1[C@H](O)CCCN2CCC[C@H]12 2356787813 VTPSFGZNDASQAV-ZRJCITRHSA-N 337.416 2.105 0 1 EEAF CC(=O)O[C@H]1C=CC(=O)O[C@H]1[C@H]1OC(C)(C)O[C@@H]1c1ccccc1 72113646 UDVOZKPGRLFZNM-SVGFKBNWSA-N 332.352 2.293 0 1 EEAF COc1cc(C=O)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@H]2CO 14649992 GDDOKXKOOVEGQY-GUYCJALGSA-N 328.320 2.446 0 1 EEAF biogenic C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@H](O)[C@@H]1[C@@H]2C[C@@H]2C[C@H]1C(=O)O2 257501090 OEIFXOHVCYVTGK-NOOHQTRSSA-N 346.379 2.223 0 1 EEAF endogenous,in-man O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H](Cn2ccnc2)C1 653882975 BQOKBYQLUBTUIS-GFCCVEGCSA-N 341.383 2.262 0 1 EEAF C[C@@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O 653741258 WSRQDGKCDIHPPB-RHMPRUHBSA-N 348.439 2.305 0 1 EEAF CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4nc(O)nc(O)c4cc3[C@H]2C1 587559501 YWEFSVILWIGAIK-KWQFWETISA-N 344.371 2.258 0 1 EEAF Cc1cnc2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 586931847 MFZQIXDZLPWQQV-UHFFFAOYSA-N 346.412 2.096 0 1 EEAF COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587436916 VGQOZSCNNLBYIP-PXAZEXFGSA-N 325.320 2.366 0 1 EEAF CC(=O)NC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755425 OFQPSZVYBDPQDF-RTHLEPHNSA-N 329.213 2.474 0 1 EEAF CCOC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)F 587649378 IFTAKQCYWPPLDA-UHFFFAOYSA-N 345.323 2.196 0 1 EEAF O=C(NCc1ccccc1Cl)[C@@]1(O)CCN(c2ccccc2)C1=O 147123397 CDEKKKPLNNDYSK-SFHVURJKSA-N 344.798 2.124 0 1 EEAF CCCn1c(SCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)n[nH]c1=O 5966141 LQPUXHHJUXDDPP-WOPDTQHZSA-N 326.466 2.014 0 1 EEAF C[C@@H](O)c1nccc(N2CCN(c3nccc4ccccc34)CC2)n1 13472161 MTKBETYFVNKLOG-CQSZACIVSA-N 335.411 2.405 0 1 EEAF O=C(NCc1cccc(Cl)c1)c1cc(CN2CCOCC2)on1 15769344 NVOJGVZEMVYQEB-UHFFFAOYSA-N 335.791 2.090 0 1 EEAF COc1cccc(OC)c1OCCNC[C@H](O)COc1ccccc1 169325093 MPEPTKANIWTGHL-HNNXBMFYSA-N 347.411 2.112 0 1 EEAF C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)Nc1nccs1)C(=O)N2 6009962 RORFIKIEDJVZJB-IETSOEAISA-N 329.381 2.110 0 1 EEAF CCc1cc2c(C(=O)Nc3cc[n+]([O-])cc3OC)cnc(OC)c2o1 27562321 JERUSHRSNFDEKW-UHFFFAOYSA-N 343.339 2.293 0 1 EEAF O[C@@H](CNCCOc1ccc(-c2cocn2)cc1)c1cccnc1 49947018 YCSRNOVZOWNBTD-SFHVURJKSA-N 325.368 2.439 0 1 EEAF CC[C@@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(C(C)C)c2=O)N1 82208332 VKKURDYGGGFGQM-CYBMUJFWSA-N 342.399 2.047 0 1 EEAF Cc1ncc(CN(CCC(=O)O)Cc2ccccc2)c(C(=O)O)c1O 96909132 ZZWSOWIDCJGWGX-UHFFFAOYSA-N 344.367 2.271 0 1 EEAF Cc1ccc(CN(C)C(=O)[C@@H]2NNC(=O)[C@@H]3CCCC[C@H]32)c(C)c1 618014199 JLSKKBLGCHHLMN-BRWVUGGUSA-N 329.444 2.071 0 1 EEAF COCC1(COC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597164 UCKGYAPFHFZKNQ-OAHLLOKOSA-N 330.336 2.385 0 1 EEAF O=C1Oc2ccccc2C(=O)[C@@H]1C[C@H]1C(=O)Oc2ccccc2C1=O 12504328 HIZKPJUTKKJDGA-BETUJISGSA-N 336.299 2.213 0 1 EEAF biogenic,in-vivo COc1cc2c(cc1OC)[C@@]1(COc3cc(O)cc(O)c3C1=O)C2 14611375 MKPGLCWEMPNQKG-SFHVURJKSA-N 328.320 2.184 0 1 EEAF biogenic,in-vitro C[C@H]1O[C@H](SCCC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H](O)[C@@H]1O 169365829 HWVMUFHBNMDWTI-ZWNJQDJPSA-N 342.501 2.154 0 1 EEAF CCOC(=O)[C@@]1(CCC2OCCO2)CC[C@@]2(c3ccccc3)O[N@@]12 1857536606 AFWVTQZWHYYGPD-QYZOEREBSA-N 333.384 2.335 0 1 EEAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4049357 KGYBGXTUVDYEFB-INMHGKMJSA-N 328.368 2.259 0 1 EEAF C[C@H](CCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1O 2356345237 NEVPBIQTDNVVMK-DRXUAVOGSA-N 330.421 2.230 0 1 EEAF CCn1c(=O)cc(OCC(=O)NCc2ccco2)c2ccccc21 4076036 JHEYHASGQSFTCT-UHFFFAOYSA-N 326.352 2.310 0 3 EEAF COc1ccccc1CCC(=O)Nc1ccc2c(c1)c(=O)n(C)n2C 61904958 CMVPCOPZYAWZPA-UHFFFAOYSA-N 339.395 2.457 0 3 EEAF C[C@@]12C[C@H](O)C[C@@](C)(CO)[C@H]1CCC1=C[C@]3(C)[C@H](C[C@H]12)OC[C@@H]3O 70455241 SSCNZSNVLHHQET-BJOXDUDZSA-N 336.472 2.268 0 1 EEAF biogenic,in-vitro COC(=O)/C=C/C(C)=C/[C@H](C)[C@H](O)c1cc(O)cc(NC(C)=O)c1O 85638305 CEGIRERGELADRL-HGHMOQMMSA-N 349.383 2.401 0 1 EEAF COc1cc2ccc(=O)oc2cc1OC[C@@H](O)CN1CCCCC1 95592101 WUZSUNSKAZHKRW-AWEZNQCLSA-N 333.384 2.027 0 1 EEAF NC(=O)c1ccccc1Nc1ccc(NC(=O)C2CCNCC2)cc1 95576051 NUPFJQKBRBZDTI-UHFFFAOYSA-N 338.411 2.467 0 1 EEAF COC(=O)Nc1nc2nc(C(=O)c3cccc(OC)c3)ccc2[nH]1 299858579 DVTDNHMTZADYQO-UHFFFAOYSA-N 326.312 2.376 0 1 EEAF CCOC(=O)[C@@H]1CNCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587522139 DRSSNCBUXZSLMS-OXJNMPFZSA-N 343.423 2.442 0 1 EEAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587234859 JJRHCNPXHSBMCH-WHFBIAKZSA-N 330.132 2.453 0 1 EEAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CCCC(=O)CC3)[nH]c2c1 586883288 AKQMSPXQAZOFAJ-LLVKDONJSA-N 335.429 2.430 0 1 EEAF O=S(=O)(O)c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586900268 BCJXOAREWSZCMH-SWLSCSKDSA-N 330.365 2.379 0 1 EEAF CC1C[C@H]([C@@H](O)c2ccccn2)C(=O)[C@@H]([C@@H](O)c2ccccn2)C1 13147503 AHKMRDPUGQRUPR-YXUGBTPSSA-N 326.396 2.475 0 1 EEAF Nc1c(Cl)cc2c(c1C(=O)N[C@@H]1CN3CCC1CC3)OCCCC2 13451315 AAFDSURDJZEZCZ-CQSZACIVSA-N 349.862 2.461 0 1 EEAF COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)cc(OC)c1OC 13834549 OBHBPKWDBYTINS-UHFFFAOYSA-N 327.340 2.355 0 1 EEAF COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCO2)nc1=O 209692195 CRBBMTVUBHEEAI-CQSZACIVSA-N 328.368 2.033 0 1 EEAF O=C([C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1)N1CCOCC1 234339 YBZANHGUTHNURS-RDJZCZTQSA-N 326.352 2.230 0 1 EEAF O=C(NC1CCCCC1)C1=C(O)[C@H](CCc2ccccc2)NC1=O 101435503 JKFKNCPODFBXRV-HNNXBMFYSA-N 328.412 2.379 0 1 EEAF CC=C1CN2CC[C@]34c5cc(OC)ccc5N[C@H]3[C@H](CO)[C@H]1C[C@@H]24 2356628508 WASNVZYFPCLQAH-WTNXQADQSA-N 326.440 2.390 0 1 EEAF COC(=O)[C@]12O[C@H]3CC[C@@](C)(c4ccccc41)[C@H]2[C@@]3(C)C(=O)OC 2356698603 DYMXMMCLVZEEAF-ZENYQMPMSA-N 330.380 2.314 0 1 EEAF Nn1c(S[C@@H](C(=O)O)c2ccccc2)nc2ccccc2c1=O 40864085 LWJZDIUAYDTSCM-CYBMUJFWSA-N 327.365 2.028 0 1 EEAF CN(O)c1c(SCCCCC(=O)Nc2ccccc2)c(=O)c1=O 40568025 XMUOGPXDHKMXOV-UHFFFAOYSA-N 334.397 2.009 0 1 EEAF CCNc1nc(C)c2cc(CCC(N)=O)c(=O)n(C3CCCC3)c2n1 140671437 KERCNHYLLKJGSG-UHFFFAOYSA-N 343.431 2.065 0 1 EEAF CN(C[C@@H]1N[C@H](CO)[C@@H]1c1ccccc1)C(=O)c1ccccc1F 95664164 AGYXMUOZVYSHCJ-RCCFBDPRSA-N 328.387 2.014 0 1 EEAF N=c1[nH]cc2nc(-c3ccnc(SCC(F)(F)F)c3)nc-2[nH]1 587093721 RPISXHAZKCWJQP-UHFFFAOYSA-N 326.307 2.433 0 1 EEAF CC(=O)N1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587401047 RZKJTGUDXZSEAR-LJQANCHMSA-N 336.347 2.331 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4cnn(C)c4)nc1)[C@@H](C2)C3=O 587432152 OAFMDCSBMGZLIP-KSSFIOAISA-N 348.362 2.374 0 1 EEAF COC(=O)[C@H]1CCc2occc2[C@]12NCCc1c2c(C(C)C)nn1C 962925230 YJGACHRDVCXAIP-YJYMSZOUSA-N 343.427 2.261 0 1 EEAF NC[C@H]1C[C@]2(N[C@H](C(=O)O)Cc3cccc(F)c32)c2ccccc21 962904171 CBICRDOGMUMYIH-GFJSAUFNSA-N 326.371 2.114 0 1 EEAF COc1cc(OC)nc(Sc2ccc(C(=O)O)cc2C(=O)O)n1 1857562071 GEVFDQCMWTTZLY-UHFFFAOYSA-N 336.325 2.041 0 1 EEAF CCOC(=O)[C@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3C)CC1=O 28115244 XUOQREZRAUHJRW-UJAMICLKSA-N 343.423 2.049 0 1 EEAF Nc1c(-c2ccc(Br)cc2)[n+]([O-])c2ccccc2[n+]1[O-] 1616543 XZMHMNUFXCZDAV-UHFFFAOYSA-N 332.157 2.118 0 1 EEAF CC[C@H](C)[C@@H](CO)NC(=O)C=C[C@@](C)(O)[C@@H]1O[C@H](CC)C[C@@H]1C 2356687765 AKQLFHXLRLKXAB-LVBQRNIJSA-N 327.465 2.020 0 1 EEAF C[C@]1(O)CC[C@@]23C[C@H]1C[C@]2(O)CC[C@H]1[C@]3(C)C[C@@H](O)C[C@@]1(C)CO 2356705813 FOCVEWGELGYRTJ-MYDRVZFISA-N 338.488 2.228 0 1 EEAF O=C(N[C@H]1CN(Cc2ccccc2)CCC[C@H]1O)c1ccc(O)cc1 2356823640 GNAMKGMESNLWOG-RBUKOAKNSA-N 340.423 2.148 0 1 EEAF CO[C@]12C[C@]3(CC[C@@H]1O)CC[C@@H]1c4c(cc(O)c(c43)O2)CCN1C 3652459 FKUISVKPMQSWTN-WQOWLQHVSA-N 331.412 2.233 0 1 EEAF biogenic CCC(CC)C(=O)N1CC[C@H]2NC(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 4260667 VZUFVJUROJTSIT-CVEARBPZSA-N 343.427 2.457 0 1 EEAF biogenic CN1[C@H]2C[C@H](S(C)(=O)=O)[C@H]1Cc1c(-c3ccccc3)ccnc12 1911583713 MBBABLOZXLKLAM-IKGGRYGDSA-N 328.437 2.463 0 1 EEAF CC1(C)Oc2c(C=O)cc3c([nH]c4cc(O)ccc43)c2[C@@H](O)[C@H]1O 13399196 NKDKVISDCZDDBO-NVXWUHKLSA-N 327.336 2.405 0 1 EEAF biogenic Cc1nn(CCO)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 49783659 TZSVVKZEVHKQHI-UHFFFAOYSA-N 339.798 2.144 0 1 EEAF COC(=O)c1ccc(OCc2c(-c3ccncn3)noc2C)nc1 142193501 NRURXSQJQOCKDU-UHFFFAOYSA-N 326.312 2.201 0 1 EEAF CN1c2ccccc2[C@]2([C@@]34CCN[C@@H]3N(C)c3ccccc34)CCN[C@H]12 238757394 JKUVEXHEQZKNSO-GXRSIYKFSA-N 346.478 2.401 0 1 EEAF Cc1ccc(-n2c(C)nnc2C)cc1S(=O)(=O)NC1CCCC1 473115302 RLBKKESCCPPBEJ-UHFFFAOYSA-N 334.445 2.413 0 1 EEAF C/C=C/C[C@@H]1Cc2nc3nc(O)nc(O)c3cc2[C@@H]1CC(=O)OC 587559916 PDJDXELSEFHNNJ-HIHHVFROSA-N 329.356 2.221 0 1 EEAF Cc1cccc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)c1 587560757 JXCDVBZTKGTKKU-UHFFFAOYSA-N 325.324 2.429 0 1 EEAF N[C@H](Cc1nc2c(O)ncnc2[nH]1)c1ccc(Br)cc1 586996609 HVEFFFPKAMJESP-SECBINFHSA-N 334.177 2.064 0 1 EEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(F)c(F)cc2[nH]1 586946110 RGGFBYPIAAXMFI-UHFFFAOYSA-N 341.339 2.459 0 1 EEAF C/C=C(/CO)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@@H]1CO 14612556 AXTRBQOMEOBKOZ-REOWYZCWSA-N 340.423 2.161 0 1 EEAF CC1=C[C@H](O)[C@H](O)[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)O)[C@H]2[C@@H](O)C1 2356603817 LDJDRVCYABHRAX-FQLUTVBXSA-N 338.488 2.415 0 1 EEAF C[C@@H]1O[C@@H](C=C=CBr)[C@H]2C=CCC(=O)CC[C@H](O)[C@H]1O2 2356824450 GUWDQBAYXQDWME-XDEDVNQHSA-N 343.217 2.261 0 1 EEAF CCCc1cc(C)ccc1OCCCON1C(N)=NC(N)=NC1(C)C 45167057 LBHAEBRLNVDHJA-UHFFFAOYSA-N 347.463 2.329 0 1 EEAF COc1cccc2c1[C@H](O)c1ccc3c(c1[C@H]2O)C(=O)C[C@](C)(O)C3 14764879 QFZLZZBDRASJLL-HSALFYBXSA-N 340.375 2.052 0 1 EEAF biogenic C/C=C/C=C/C(=O)O[C@H]1CCCC[C@H](O)[C@H](O)[C@@H](CCC)OC1=O 40845394 FMVRTWDUGYFHPQ-JVYGEWJVSA-N 340.416 2.038 0 1 EEAF CC[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)O 145965327 VVLASUBZKSUGQT-SNVBAGLBSA-N 330.340 2.436 0 1 EEAF CNc1cncc([C@H]2CCCN2Cc2ccnc(N3CCCC3)n2)n1 299851554 UDEOYIJKCRSUCT-MRXNPFEDSA-N 339.447 2.246 0 1 EEAF COc1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1 586936612 SLYSSEGHBZLFRK-UHFFFAOYSA-N 334.401 2.253 0 1 EEAF Cc1cc(C)n(-c2nnc3nnc(-c4ccc(Cl)cc4)n3n2)n1 1772578914 YFEIYMXTRAWQIO-UHFFFAOYSA-N 326.751 2.037 0 1 EEAF CCn1cc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)cn1 12299376 QVQNGZZGUWMZJK-INIZCTEOSA-N 346.475 2.481 0 3 EEAF c1csc([C@H]2CCCN2c2nc3nonc3nc2NC2CC2)n1 13595753 TWGHUOILAHWMIC-SECBINFHSA-N 329.389 2.385 0 3 EEAF CC[C@@H](C)N1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 169341391 DHWOEIFEZNBNSB-QHOWBERBSA-N 327.424 2.367 0 1 EEAF O=C1[C@@H]2C=C(Br)[C@H](C[C@@H]2OCCCCCCO)[C@]12CO2 169371004 VHTXGBQCZVQBHU-REJLFOLJSA-N 345.233 2.191 0 1 EEAF CC1=C[C@@]2(O)C(=O)[C@@H](C)C[C@@H]3[C@H](CC[C@](C)(O)/C=C\2[C@@H]1O)C3(C)C 169373541 SMGFYRJTHUJGEK-UFNYGFSKSA-N 334.456 2.377 0 1 EEAF CC1=C2CC[C@@H]3C[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O 1857550158 LCPAOFXVNJJPDS-OZONLNBASA-N 336.472 2.147 0 1 EEAF O=S1(=O)N[C@@H](c2c[nH]nc2-c2ccccc2)Nc2ccccc21 1857643796 PMNXHLJZSKOSHM-INIZCTEOSA-N 326.381 2.479 0 1 EEAF O=C(O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 28864021 HPAKCEYAQQECIE-QNWHQSFQSA-N 343.301 2.200 0 1 EEAF c1ccc2c(c1)O[C@H](N1CCCC1)c1cnc(N3CCOCC3)nc1-2 29208345 LMAOUUVQFQUAOU-SFHVURJKSA-N 338.411 2.467 0 1 EEAF CC=C1CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H](CO)[C@H]1C[C@@H]24 2356516751 IJTKEUDLEABZCZ-PCAIFEHESA-N 338.451 2.322 0 1 EEAF COC1=C(C)C(=O)OC1=C1O[C@@]23CCCN4CCC[C@H](O2)[C@H]4[C@H]3[C@H]1C 2356537932 LXAQGNNSRKLTLE-MSQDPZGJSA-N 347.411 2.311 0 1 EEAF COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1 73199401 VHVOLPIMMXIOJD-UHFFFAOYSA-N 342.355 2.364 0 1 EEAF COCCNC(=O)C(C)(C)n1cc(-c2ccc(OC)c(OC)c2)cn1 74387490 JBNQKSHYFVIEPT-UHFFFAOYSA-N 347.415 2.065 0 3 EEAF C[C@H]1N[C@@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O 31894841 JLJNCYCVSFKQGY-GMSDUDKNSA-N 338.363 2.024 0 1 EEAF COc1nc2c3c(ccc2c(OC)c1C[C@@H](O)C(C)(C)OC)OCO3 14618555 ZLSJYWRYNGBLIH-CYBMUJFWSA-N 349.383 2.309 0 1 EEAF biogenic CCc1nc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cs1 82072850 HNDKDJXWHKULMZ-ZDUSSCGKSA-N 333.413 2.220 0 1 EEAF COc1cc(C(=O)[C@@H]2CN=C3C=CC=CN3C2)cc(OC)c1OC 49803383 HTBBFYGSKOOECL-CYBMUJFWSA-N 328.368 2.309 0 1 EEAF C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC1=C[C@@](C)([C@@H](O)CO)CC[C@H]12 299833233 MXHRQWXLVXRIMG-SXWOMNNJSA-N 338.488 2.252 0 1 EEAF CNC(=O)[C@H]1Cc2cc(F)ccc2N1C(=O)COc1ccc(F)cc1 473136434 RKPSOQDQSZONDN-MRXNPFEDSA-N 346.333 2.048 0 1 EEAF Oc1ncnc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007361 IQLBOYBAQGPXLD-UHFFFAOYSA-N 331.133 2.136 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(CCC(=O)O)N1 587750354 SZEPBUNZXZIHLG-RTHLEPHNSA-N 345.212 2.141 0 1 EEAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(O)nc(S)nc2[nH]1 586882291 MYHPCSMJYQPDME-UHFFFAOYSA-N 342.380 2.276 0 1 EEAF CCOc1oc(C(=O)n2ncc3ccc(Cl)cc3c2=O)nc1C 587652437 RWQOTTCAYBVSAQ-UHFFFAOYSA-N 333.731 2.434 0 1 EEAF Nc1nccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577033 QTSWGPJAXMHFRU-GUYCJALGSA-N 335.319 2.467 0 1 EEAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(=O)oc2ccc(C)cc12 1772599077 JXIZHUIDLJILCM-INIZCTEOSA-N 342.351 2.292 0 1 EEAF O=C([C@@H]1COc2ccccc2O1)N1CCn2c(nc3ccccc32)C1 4885410 GHPIMRURZROMRX-KRWDZBQOSA-N 335.363 2.219 0 3 EEAF CCCCCCNCC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 1857760828 YJLNHZBJXDIDAF-UHFFFAOYSA-N 342.443 2.451 0 1 EEAF O=S(=O)(c1ccccc1)c1cc2c(N3CCNCC3)cccc2[nH]1 3942803 PFTIWSPRJUNDEK-UHFFFAOYSA-N 341.436 2.410 0 1 EEAF CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)C(=O)Nc1ccc(F)cc1 101691056 HJHDSPBGWYGUTN-HNNXBMFYSA-N 339.326 2.372 0 3 EEAF Cc1coc(NS(=O)(=O)c2cccc(Cl)c2CC(=O)O)n1 28524717 SZAQFUBLGDHTCD-UHFFFAOYSA-N 330.749 2.064 0 1 EEAF CO[C@@H]1C=C[C@](C)(O)CCC(=O)O[C@H](C)[C@@H](C)C[C@@H](O)C=C1C 2356466015 OQBWAWZWLOIZFL-IGBMMGQUSA-N 326.433 2.368 0 1 EEAF Cc1cc(O)cc(O)c1OC(=O)c1c(O)cc(C)c(C(=O)O)c1O 2356723362 GELGDWPNJIQPMI-UHFFFAOYSA-N 334.280 2.043 0 1 EEAF CCCCN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2106814 LTGZVNXPHLCLSO-LJQANCHMSA-N 325.412 2.410 0 1 EEAF biogenic O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1ccc(Br)cc1 71340275 DYEOESDSRHAVAX-WRWGMCAJSA-N 340.173 2.266 0 1 EEAF Cc1ccccc1-c1nc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)co1 82069094 JIVVTPAVYCRYAT-INIZCTEOSA-N 349.390 2.476 0 1 EEAF NC(=O)c1ccc(N[C@H]2CNCC[C@@H]2c2ccccc2)c2cncnc12 143756086 TVDXVEYZPBAGQH-KDOFPFPSSA-N 347.422 2.286 0 1 EEAF CCOC(=O)C[C@H]1SC2=NCCN2[C@@]1(O)c1ccc(Cl)cc1 142119349 UATOCMSSFNXZCI-IUODEOHRSA-N 340.832 2.225 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@H](O)OC2)N1 587834736 SDQGGHYVFSUFQZ-UGQGEIBHSA-N 328.181 2.223 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1 587231188 UECXMGXZTDQSOB-QWHCGFSZSA-N 341.415 2.476 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncnc2N)N1 587745739 KIVDBFXXYFQVON-WPPNPWJKSA-N 337.196 2.584 0 1 EEAF NC[C@H](O)CNc1cc(N2Cc3ccccc3C2)nc2ccccc12 1857748931 OWMATFCSYSEGKD-INIZCTEOSA-N 334.423 2.487 0 1 EEAF O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)Nc1ccccc1 200617 DFGVRDLIUBOYKR-UHFFFAOYSA-N 329.381 2.170 0 1 EEAF CC(C)C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H](O)[C@H]1O 2356286736 OIDDECWZYGIETC-REWJHTLYSA-N 331.334 2.055 0 1 EEAF O=C1N[C@H](C(=O)O)Cc2cn(cn2)C/C=C/Cc2ccc(Cl)c1c2 103260967 CRJZTXVLJWNQDW-YLSAJCSVSA-N 345.786 2.075 0 1 EEAF O=C(NC1=NN=CC1)[C@@H]1C(=O)N2c3ccccc3Cc3cccc1c32 100658523 PNMIMCVHZJJGBT-MRXNPFEDSA-N 330.347 2.257 0 1 EEAF Nc1nc2c3c(F)cccc3nc(Cc3ccc4c(c3)OCO4)n2n1 68250015 OWLAKERMHYDWTB-UHFFFAOYSA-N 337.314 2.318 0 1 EEAF in-vitro O=C1[C@@H]2Cc3ccccc3CN2C(=S)N1CCN1CCCCC1 28523915 IMLAHLVKCVWMCT-INIZCTEOSA-N 329.469 2.026 0 1 EEAF COC(=O)c1ccc(C[C@H](C)NC[C@H](O)COc2ccccc2)cc1 29471820 SFMAMDMWNAQZFI-YJBOKZPZSA-N 343.423 2.434 0 1 EEAF O=CN1CCc2cc3c(c4c2[C@H]1Cc1ccc2c(c1-4)OCO2)OCO3 14618840 GLSBUIUCQTYLOT-GFCCVEGCSA-N 337.331 2.423 0 1 EEAF biogenic CC(C)N1CCO[C@H](COc2cccc(CN3CCOCC3)c2)C1 40973674 KGTSNEQWKPVWKC-IBGZPJMESA-N 334.460 2.007 0 1 EEAF O=C1C2=C(CCCC2)S(=O)(=O)N1c1cccc(Br)n1 40392613 KLGZHRRNEWCZOG-UHFFFAOYSA-N 343.202 2.349 0 1 EEAF CC[C@@H](C)N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@@H]3C1=O 195319972 WBTXSYLBOXAEQH-XEFMTXMXSA-N 341.407 2.310 0 1 EEAF Cc1ccc(N2C(=O)[C@H]3C[C@H](NC(=O)NC(C)C)CCN3C2=O)cc1 33920753 MHUFCGMIQKNETM-UKRRQHHQSA-N 344.415 2.002 0 1 EEAF biogenic COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3 587231299 NMJDIAWZCOREIP-NWDGAFQWSA-N 345.399 2.328 0 1 EEAF COc1ccc2c(c1)[C@@H](c1cn(CC(=O)O)cn1)N(C(C)C)CC2 962090587 LTOKNOMMEAJWTL-SFHVURJKSA-N 329.400 2.332 0 1 EEAF CN1C(=O)C[C@@H]2CNC3(C[C@@H]4CC(C(=O)O)C[C@H]4C3)c3cccc1c32 963015791 BFXPGMXNFLOHHO-JADPNIOYSA-N 340.423 2.456 0 1 EEAF NC(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccncc3)c2)c1 205507440 ARMYQZBDNOLOQT-UHFFFAOYSA-N 333.351 2.077 0 1 EEAF CCOC(=O)C(=O)Nc1cc(N2CCc3ccccc3C2)cc(C)n1 13489847 RLVQGJIROUBSPL-UHFFFAOYSA-N 339.395 2.454 0 1 EEAF COCCN1C(=S)N[C@@H](c2cccc(F)c2)C(C(=O)OC)=C1C 15937401 FGYXCUPPIRVGME-AWEZNQCLSA-N 338.404 2.150 0 3 EEAF NCC[C@H](N)C(=O)NC(CCc1ccccc1)CCc1ccccc1 1857535651 UZJOOTPPUFEXOS-FQEVSTJZSA-N 339.483 2.413 0 1 EEAF C[C@]1(O)OC(=O)C(c2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1 3928661 UESINUJQTYESFV-SFHVURJKSA-N 344.388 2.266 0 1 EEAF O=C(O)CS[C@@H](CC(=O)c1ccc(Br)cc1)C(=O)O 28473519 ABTRMPBSZSUHEL-JTQLQIEISA-N 347.186 2.293 0 1 EEAF CC(C)S(=O)(=O)N1CCC(CCCC(=O)c2ncco2)CC1 29126134 OGOYBGWKIXGGGE-UHFFFAOYSA-N 328.434 2.478 0 1 EEAF Nc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCNC3)cc1 28526685 ZHOQJWCJXTYOJM-UHFFFAOYSA-N 327.409 2.106 0 1 EEAF CCCCC[C@H](O)C=C[C@@H]1OC(=O)C[C@H](O)[C@H]1CC=CCC(=O)O 2356625528 PJAAKFHMQLYVGV-FZKCQIBNSA-N 340.416 2.197 0 1 EEAF COc1cc(C(=O)O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@H]2CO 139462314 SAJPCASFYGEQIF-BLLLJJGKSA-N 344.319 2.332 0 1 EEAF COc1cc2nc(N3CCCC3)nc(NC[C@@H](C)O)c2cc1OC 82128854 HZIIKCNXOJCKQM-LLVKDONJSA-N 332.404 2.040 0 1 EEAF O=C(NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1)c1cnccn1 653918468 CZAIOTMABDAIEL-CQSZACIVSA-N 334.788 2.049 0 1 EEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(F)cc(F)c2[nH]1 586946196 UEQDPTMNNYVQGE-UHFFFAOYSA-N 341.339 2.459 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2C(CCO)(CCO)N1 587828765 VFHFKJZLUXCNSL-SECBINFHSA-N 332.213 2.083 0 1 EEAF CCOC(=O)[C@@H](N=O)[C@@]1(C)NCCc2c(OC)ccc(Cl)c21 963270684 QSLRECKUGLNZQW-HIFRSBDPSA-N 326.780 2.408 0 1 EEAF Nc1c(C(=O)c2cccc(CCO)c2)cnn1-c1ccc(F)cc1 13683069 YNQCAQKAWQPMQN-UHFFFAOYSA-N 325.343 2.359 0 1 EEAF CCCCNc1nc(NCCO)nc(Nc2ccccc2OC)n1 14968044 DWTQAMUCUCTLIA-UHFFFAOYSA-N 332.408 2.240 0 1 EEAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@H]1OC(=O)[C@H]3C[C@@H](O)C[C@H]2[C@H]31 5641144 GFUMUSWDMNZQDZ-ZSRIHAJNSA-N 346.379 2.223 0 1 EEAF in-man C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1C[C@H]1OC(=O)[C@H]3C[C@@H](O)C[C@H]2[C@H]31 5641149 GFUMUSWDMNZQDZ-YQLNWWHVSA-N 346.379 2.223 0 1 EEAF in-man COC(=O)COCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 1857561651 NHXXFYDSYCWEPJ-QGZVFWFLSA-N 339.819 2.458 0 1 EEAF N[C@@H](C[C@@H](C/C=C/c1ccc(Br)cc1)C(=O)O)C(=O)O 13808425 PYMHGLAULPTFHZ-QNDCKANFSA-N 342.189 2.355 0 1 EEAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ncc[nH]4)C[C@@H]3F)[nH]c2c1 2356300366 UPQTUWIJCLCUEA-SWLSCSKDSA-N 329.379 2.334 0 1 EEAF CS(=O)(=O)CCn1c(=N)sc2cc(OC(F)(F)F)ccc21 101283526 ROLVTPXVHCYODZ-UHFFFAOYSA-N 340.348 2.125 0 1 EEAF CCCn1cc(C(=O)O)c(=O)c2ccc(N3CC[C@H](CNC)C3)cc21 103284737 UGNQFLJHTBDQPN-CYBMUJFWSA-N 343.427 2.155 0 1 EEAF CCCn1c(=O)n(C(=O)NC2C[C@H]3CC[C@H](C2)N3C)c2ccccc21 101207609 OAZOOTIRHCWITI-HUUCEWRRSA-N 342.443 2.396 0 1 EEAF O=C(O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]13)O2 104463096 LAAHNNVDJMNWOR-FUTJPDQTSA-N 339.269 2.076 0 1 EEAF CC(C)CCn1cnc2ccc3nc(C4=NCCN4)sc3c2c1=O 40565704 SPTSGIADCMNWIZ-UHFFFAOYSA-N 341.440 2.402 0 1 EEAF CN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4ccns4)cc32)N=C1N 95602078 IEVIHEIDGYLQMX-KRWDZBQOSA-N 342.424 2.353 0 1 EEAF CC(C)c1csc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)n1 230462007 HTCSXEZWQKJDBO-MMWSSPAHSA-N 334.445 2.242 0 1 EEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCC4COC4)ncc23)ccn1 261172333 TZIMAAFHHMUGBV-UHFFFAOYSA-N 338.371 2.096 0 1 EEAF Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC(C)C)c2nc1O 473107599 JKTNWFFAZWETLV-HUUCEWRRSA-N 330.432 2.459 0 1 EEAF Cn1cc(CN2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(F)c2)cn1 299843170 NQFCYQNQXYCXTH-IRXDYDNUSA-N 328.391 2.048 0 1 EEAF CCOC(=O)CCN1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587393396 HXWKGZLUNBAFIU-UHFFFAOYSA-N 346.427 2.330 0 1 EEAF COc1ncc(-c2ccc3nsnc3c2)cc1NS(C)(=O)=O 1244793167 COLQXDJIVMAKCQ-UHFFFAOYSA-N 336.398 2.133 0 1 EEAF CCOC(=O)[C@]1([C@H](/C=C/c2ccco2)NC(=O)OC)CCCC1=O 7992268 PJEWOHPILHYSDH-BDFYUECYSA-N 335.356 2.320 0 1 EEAF CCc1ccc(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)OC(C)C)[C@@H]4C2=O)cc1 101283706 GCTKWLFVHKUVMD-TVKQPGBESA-N 341.407 2.487 0 1 EEAF NC[C@@H]1C[C@@]1(C(=O)[C@H]1NCc2ccccc21)c1ccc2c(c1)OCO2 29047609 JMLINUIVZHMJBT-ADLFWFRXSA-N 336.391 2.045 0 1 EEAF CC(C)C=CC=C(CO)[C@@H]1CC[C@@]2(C)C[C@@](O)(CC[C@H]2O)[C@@H]1CO 2356530827 SQOSIRPMZMWBHD-MDMHHNQBSA-N 338.488 2.418 0 1 EEAF COc1cc(OC)c([C@H](OC(C)=O)[C@@H](C)OC(C)=O)cc1OC 14817942 XGAOQHXEUYLUCB-JDNHERCYSA-N 326.345 2.268 0 1 EEAF biogenic O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1nc[nH]n1 49112863 JLQNQGPJLJQVEH-BHUNQDJPSA-N 342.358 2.201 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@]4(O[C@H]4C)[C@@H]1C[C@H]23 85567333 JUZLBWLURBHBPB-FAMFQNOMSA-N 338.407 2.042 0 1 EEAF O=C(Nc1ccc([C@@H](O)CO)nc1)c1cc2cc(Cl)ccc2[nH]1 40955662 GFYOSCHAHROFSJ-HNNXBMFYSA-N 331.759 2.494 0 1 EEAF CC(C)n1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H](C)CN2 82224516 QSWLHPZSRKVYBT-NSHDSACASA-N 332.379 2.329 0 1 EEAF C[C@]1(c2ccnc(N)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577548 SOABKFNTJISYHG-HNAYVOBHSA-N 349.346 2.641 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1cnc(C)nc1N(C)C)[C@@H](C2)C3=O 587428594 KLWIVGUEUWFANX-SJCJKPOMSA-N 325.368 2.348 0 1 EEAF C[C@@]1(CC(=O)c2ccccn2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962921995 OBSFIDHEHQBBGH-YJBOKZPZSA-N 328.343 2.308 0 1 EEAF COc1ccc2c(c1OC)[C@]1(CC(=O)NC(C)(C)C1)N(C)[C@@H](C)C2 962570052 MXSTXCMQWSOQJI-HXPMCKFVSA-N 332.444 2.464 0 1 EEAF COc1cccc(F)c1CNC(=O)Nc1cc2[nH]nc(OC)c2cn1 1772638136 UPUHXLPDZFIJEN-UHFFFAOYSA-N 345.334 2.436 0 1 EEAF CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(C(=O)O)c1O)OC2=O 169325359 XHDIHHKDNRURPQ-SJORKVTESA-N 333.340 2.151 0 1 EEAF Cn1nc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cccnc21 1857549291 GMWGJODVKIYVSI-UHFFFAOYSA-N 343.346 2.017 0 1 EEAF CC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 3955906 XQOYTWDIGWHFAC-GOSISDBHSA-N 330.432 2.128 0 1 EEAF O=P(O)(O)C(Nc1c(Cl)cccc1Cl)P(=O)(O)O 103211012 KGPZOMGTNDRRAI-UHFFFAOYSA-N 336.004 2.044 0 1 EEAF Cn1ncnc1[C@@H]1c2n[nH]c(=O)c3cccc(c23)N[C@H]1c1ccccc1 68201022 GOMMADJURTTYPW-HOTGVXAUSA-N 344.378 2.350 0 1 EEAF CO[C@@H]1C=C[C@](C)(O)[C@H](O)CC(=O)O[C@@H](C)[C@H](C)CCC=C1C 2356838360 LZIHYJALJHKOOV-YQUYXMIOSA-N 326.433 2.368 0 1 EEAF CC(C)OCCCNc1nc(OCCN(C)C)cc(OC(C)C)n1 40878422 PQORHIODPWXLTR-UHFFFAOYSA-N 340.468 2.431 0 1 EEAF Cc1nc(C)c(CNc2nc(OCCO)nc(Cl)c2C)s1 143678224 OQKXTWNEIHEOIB-UHFFFAOYSA-N 328.825 2.495 0 1 EEAF Cc1ccc(N2C(=O)[C@H]3C[C@@H](NC(=O)NC(C)C)CCN3C2=O)cc1 33920754 MHUFCGMIQKNETM-DZGCQCFKSA-N 344.415 2.002 0 1 EEAF biogenic O=C(O)CCc1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1 473120542 OFJPJWLSBSJUPU-UHFFFAOYSA-N 340.792 2.206 0 1 EEAF Nc1ncc(C2CC2)nc1CNC(=O)Nc1ccc2nc(O)oc2c1 473154402 HCIBULBZMPTKQO-UHFFFAOYSA-N 340.343 2.105 0 1 EEAF Cc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c(C)c1 587560242 DNYJLRGGHALRAI-UHFFFAOYSA-N 325.324 2.347 0 1 EEAF Nc1cc2nc(CCNC(=O)OCc3ccccc3)[nH]c2cc1N 587227941 DNZVJZMOHWTHCI-UHFFFAOYSA-N 325.372 2.196 0 1 EEAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(C(N)=O)cs1 963642292 YEWCQUIBRWPLKH-ABKXIKBNSA-N 332.425 2.488 0 1 EEAF C=C1[C@H](O)[C@]23CC[C@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@H]2C[C@H]1[C@H](O)C3=O 13481336 JSGKBZHXHVBDMU-JMQJFXPZSA-N 332.440 2.275 0 1 EEAF biogenic c1cc(NC2=NCCN2)ccc1Cc1ccc(NC2=NCCN2)cc1 13836784 LWSVCEUUPRLOSZ-UHFFFAOYSA-N 334.427 2.020 0 1 EEAF Cc1ccc(-c2nc3ccc(Cl)cc3c(=O)n2NC(=O)CN)cc1 169339869 CPBLHSLXPMGRPG-UHFFFAOYSA-N 342.786 2.054 0 1 EEAF N=c1c(C(N)=O)c[nH]c2c(-c3ccc4nc(O)[nH]c4c3)ccc(F)c12 1857559445 LDRGPSNHWWRFTN-UHFFFAOYSA-N 337.314 2.134 0 1 EEAF Cc1cccc(N2CCN(CCNC(=O)c3ccccn3)CC2)c1C 1857640536 MGMQFVJCQZEPOR-UHFFFAOYSA-N 338.455 2.250 0 1 EEAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N[C@@H](CO)[C@@H](C)CC 4153866 VQKYQBBROCBSSB-ZUEVXXBESA-N 348.443 2.349 0 1 EEAF Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccccc3)CC1)[C@H]2O 4637986 CUYIBIIXRWZLMQ-MJGOQNOKSA-N 341.407 2.170 0 1 EEAF COc1ccc(-c2oc3c(O)c(OC)cc(O)c3c(=O)c2O)cc1O 59772333 COZDZSOYRPSAMA-UHFFFAOYSA-N 346.291 2.300 0 1 EEAF CCCC[C@@H](O)[C@@H](C)Nc1cc(NC(=O)OCC)nc(N)c1N 27196325 ZCFLBEDPPVQBNA-MWLCHTKSSA-N 325.413 2.166 0 1 EEAF O=C(c1ncn2c1c(=O)[nH]c1ccccc12)N1CCc2ccccc2C1 61922148 AJRADUSFZGUJSZ-UHFFFAOYSA-N 344.374 2.374 0 3 EEAF Nc1cccc(-c2cncc(N3CCN(Cc4ccccn4)CC3)n2)c1 61926063 PDEGUUUHUAGJNS-UHFFFAOYSA-N 346.438 2.443 0 3 EEAF COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@@H](NCC3)[C@@H]2O 2356866937 VPMBQPYJUGPLSW-IAGOWNOFSA-N 343.379 2.319 0 1 EEAF O=C(NCc1ccco1)[C@H]1CC[C@H]2[C@@H](CCN2Cc2cccnc2)O1 299843050 LLRJSQKYOQORPZ-RCCFBDPRSA-N 341.411 2.113 0 1 EEAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(C(C)(OC)OC)[C@@H](C2)C3=O 587430547 VIFLZBYMEGDKID-SCKHQABXSA-N 347.411 2.266 0 1 EEAF COC(C)(OC)[C@@]1(/C=C/N(C)C)CC(=O)c2cc(C)cc(N)c2O1 587386088 HMSIYHUDIVDMMS-LKGOPFMKSA-N 334.416 2.366 0 1 EEAF N=c1[nH]c2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)nc-2c(Cl)[nH]1 587175081 PFBYBYOOGMJBLO-VIFPVBQESA-N 345.769 2.233 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H]2CC[C@@]1(C(=O)O)C2(C)C 587409004 SQPYBFJJJQJBEP-ZBJVWZGCSA-N 343.379 2.371 0 1 EEAF CCOC(=O)C(=O)C[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444092 XYDXYDUPDNWSSX-YJYMSZOUSA-N 346.379 2.360 0 1 EEAF CC(=O)N[C@@H](Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)c1ccc(C)cc1 587206014 JEUPNFKQMPOSFG-NSHDSACASA-N 344.806 2.099 0 1 EEAF O=C([C@@H]1CCc2nncn2C1)n1nc2cc1Oc1ccc(F)cc1-2 587876252 QAXIYJSHJQCNTM-SECBINFHSA-N 325.303 2.289 0 1 EEAF Cc1cc2c(cc1O)[C@@H](c1cnn(C(C)C)c1C)N[C@H](C(=O)O)C2 963491904 OBLHAFDNROURMM-RDJZCZTQSA-N 329.400 2.475 0 1 EEAF O=C(/C=C/c1ccc(O)cc1)O[C@H](Cc1ccc(O)cc1)C(=O)O 13526436 LVPGCTXCBGXZHO-ZWIJEDICSA-N 328.320 2.350 0 1 EEAF in-vitro Cc1ccc(=O)n(-c2ccc(OCCCN3CCN(C)CC3)cc2)c1 103233134 DQJOVPLZQVITDJ-UHFFFAOYSA-N 341.455 2.162 0 1 EEAF O=C1[C@H](O)N=C(c2ccccc2)c2cc(Cl)ccc2N1CCCO 26157406 CMUSXBYLPDZLCW-KRWDZBQOSA-N 344.798 2.225 0 1 EEAF Cc1nn(C)c2c1Nc1ccc(F)cc1N=C2N1CCN(C)CC1 26573913 JTRJPPCZYWBOLW-UHFFFAOYSA-N 328.395 2.250 0 1 EEAF COC(=O)[C@@]1(O)c2ccccc2[C@@]2(C)CCC[C@@](C)(C(=O)OC)[C@H]21 2356478878 WPVIERSTJRJSID-JEDBISTDSA-N 332.396 2.298 0 1 EEAF CCOC(=O)Cc1nc2nc(N3CCCC[C@H]3CC)ccc2[nH]c1=O 82231517 ILVKWCSHYICKJJ-GFCCVEGCSA-N 344.415 2.193 0 1 EEAF NC(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586924307 PENSEHICQQSJME-CMDGGOBGSA-N 327.365 2.106 0 1 EEAF COC(=O)CN[C@H]1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1 14878841 DWPGNTAFBLUEMS-AWEZNQCLSA-N 346.406 2.199 0 1 EEAF COc1ccc([C@@H](Cc2ccccc2)[C@@H]2NC(=S)NC2=O)cc1 6411360 IWXWJOMNNDVWMS-CVEARBPZSA-N 326.421 2.394 0 1 EEAF COc1ccc2nc(CO[C@H]3CN(Cc4ncc[nH]4)C[C@@H]3F)[nH]c2c1 2356299845 PEYXKEMVMWNJGD-WFASDCNBSA-N 345.378 2.034 0 1 EEAF COc1ccc(F)cc1-c1cc(NC(=O)[C@H]2CCCNC2)ncn1 117317586 UDASCRQLXCMEDD-NSHDSACASA-N 330.363 2.229 0 1 EEAF CSCC[C@@H](C(=O)O)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C 66058914 FAWUUWUKRRDXON-GJZGRUSLSA-N 348.468 2.198 0 1 EEAF COc1ccc([C@H]2[C@H](O)C(=O)N2c2cc(OC)cc(OC)c2)cc1 84758432 KKXKFSUNACANKR-IRXDYDNUSA-N 329.352 2.161 0 1 EEAF O=C1Nc2ccccc2CN2C(=O)c3cc(Cl)ccc3NC(=O)[C@@H]12 199392044 DMQHLINITVDOEL-CQSZACIVSA-N 341.754 2.255 0 3 EEAF CC[C@@H](C)Nc1nc(N2CCN(c3ncccn3)CC2)ncc1C 82203085 JTQLHLBWMDTZBB-CQSZACIVSA-N 327.436 2.112 0 1 EEAF Cc1ccc2c(c1)[C@@H](CS(=O)(=O)NCc1ccc(F)cc1)NC2 96020237 UKNDCRPXVMCGCY-QGZVFWFLSA-N 334.416 2.398 0 3 EEAF COc1cc2c3c(c1)O[C@](Cn1cncn1)(C1(Cl)CC1)[C@@H](C2)C3=O 587423872 WSVLCZXHVWGIMQ-SJCJKPOMSA-N 345.786 2.245 0 1 EEAF N[C@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)C[C@@H]1c1ccccc1F 587153908 DTUGZGLCNNCEHW-MLCYQJTMSA-N 338.342 2.374 0 1 EEAF Cc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1C 586928656 HHCXXKPCWHNVRT-UHFFFAOYSA-N 330.413 2.395 0 1 EEAF CCS(=O)(=O)c1ccc2nc(-c3cnc(N(C)C)nc3C)[nH]c2c1 587196139 QJDFFXOGNJHBJF-UHFFFAOYSA-N 345.428 2.188 0 1 EEAF CCNC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(Cl)c1 169317264 XYDXZURYYHANBE-GFCCVEGCSA-N 329.828 2.219 0 1 EEAF CN1C(=O)C[C@@H]2CN[C@@]3(CCOc4c(N)cccc43)c3cccc1c32 963025266 JSMBBVKKGHVDFD-ODXCJYRJSA-N 335.407 2.348 0 1 EEAF COc1ccc(Nc2ncccc2S(N)(=O)=O)cc1C(F)(F)F 1772619464 PBJKXIOUBCCQQE-UHFFFAOYSA-N 347.318 2.500 0 1 EEAF COC(=O)C(C(=O)OC)[C@@H]1c2ccccc2C=C(C)N1C(=O)OC 13817683 OOPQFRVEFFZVSY-AWEZNQCLSA-N 333.340 2.133 0 1 EEAF CNCCN(C)c1cc(C)nc2nc(SCc3ccccc3)nn12 1857554043 XWTORNWOBITNIF-UHFFFAOYSA-N 342.472 2.381 0 1 EEAF COc1ccc(/C=C2\C[C@](CO)(COC(=O)C(C)(C)C)OC2=O)cc1 1857749726 DDHFNAASWMLNPJ-JNMQVBFRSA-N 348.395 2.346 0 1 EEAF O=P(O)(O)[C@H](Cc1cccc(-c2ccccc2)c1)S(=O)(=O)O 13673825 VOMUWPIMENALLG-AWEZNQCLSA-N 342.309 2.288 0 1 EEAF Cc1nc2nc(C)c(CCC(=O)N3C[C@H](C)C[C@@H](C)C3)c(C)n2n1 4936251 MZIUJIRYAXTOED-VXGBXAGGSA-N 329.448 2.487 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NCC1[C@@H]2CC3C[C@@H]1CN3C2 100820733 KDAGOUIJCJUMDN-IXYVEGFRSA-N 335.835 2.001 0 1 EEAF C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)CCN1 103282147 UPPHDMZWSRDEJD-GFCCVEGCSA-N 343.427 2.253 0 1 EEAF COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CC[C@@H](O)C3)c2c1 73157523 LPMLXYRXWMPONQ-GFCCVEGCSA-N 326.400 2.303 0 1 EEAF CCOC(=O)C(=O)NCc1cncc(-c2ccc(F)cc2OC)c1 71341161 UDQQZZDGPQKHNE-UHFFFAOYSA-N 332.331 2.076 0 1 EEAF COC1=C[C@]2(C=CC1=O)C[C@@H]1c3c(cc(OC)c(O)c32)CCN1C 14618489 RICRDZJWIPYDGM-BLVKFPJESA-N 327.380 2.241 0 1 EEAF biogenic O=c1[nH]nc2cc(Cn3ccnc3)c3ccc(-c4ccc[nH]4)cc3n12 84588040 XPIRTXZLXZJQEN-UHFFFAOYSA-N 330.351 2.416 0 1 EEAF O=C(OCCO)c1c(-c2ccccc2)oc2c1[C@H](OCCO)CCC2 96020764 YFDLUJRBQMENCQ-CQSZACIVSA-N 346.379 2.482 0 3 EEAF CCOCCNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 261093742 DYEPSUSPVSPQPL-UHFFFAOYSA-N 340.387 2.486 0 1 EEAF CCCn1c(=O)n(CCC)c2cc(C(=O)c3cnn(C)c3O)ccc21 299869523 UWAQAJNIDVKGTK-UHFFFAOYSA-N 342.399 2.293 0 1 EEAF CC(=O)N1N=C(c2ccccc2)O[C@H]1C(=O)N(C)Cc1ccccc1 299851668 ICXYTEYJNZJNPR-IBGZPJMESA-N 337.379 2.212 0 1 EEAF Cc1nccc2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc12 586932180 VTUHFHUONNVPCR-UHFFFAOYSA-N 346.412 2.096 0 1 EEAF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587961885 GZNZSGRBJMGVOD-KGLIPLIRSA-N 326.444 2.472 0 1 EEAF Nc1nc(O)c2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 587134558 MWRBQMHQSCMAGB-OWOJBTEDSA-N 343.215 2.507 0 1 EEAF COC(=O)c1ccc(-n2c(OC)cc(C)c2O)c(O[C@@H]2CCOC2)c1 587925583 RPQOTDJXPASLSQ-CYBMUJFWSA-N 347.367 2.454 0 1 EEAF CCO[C@@H]1c2c(ncn2Cc2ccc(OC)cc2)N=CN(C)N1C 13559506 FAABVWKXZLJGFF-QGZVFWFLSA-N 329.404 2.427 0 1 EEAF COc1c(O)ccc2cc3[n+](cc12)C[C@H](O)c1cc2c(cc1-3)OCO2 14765594 LQGRWSKECPQNES-INIZCTEOSA-O 338.339 2.284 0 1 EEAF biogenic,in-vitro Cc1cc(CN(C)C[C@]2(O)CCCN(CC3CCCCC3)C2=O)on1 15065743 FIQIIQLMOIZHCV-LJQANCHMSA-N 349.475 2.349 0 1 EEAF Cc1ccc2c(c1)-c1c(c(C(=O)N3CCN(C)CC3)nn1C)CS2 15782790 RLJOAWKZCHRCJZ-UHFFFAOYSA-N 342.468 2.389 0 1 EEAF O[C@H]1O[C@H](COc2cc(Cl)c(Cl)cc2Cl)CO[C@H]1O 17197274 JGIHPWVJUMJHHI-ORCOQGSOSA-N 329.563 2.078 0 1 EEAF CN1CCN(c2ncc(N3C[C@@H](c4ccccc4)CC3=O)s2)CC1 169347295 VKDYMPPXSPKJJZ-HNNXBMFYSA-N 342.468 2.415 0 1 EEAF Cc1ccc(CCNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 6748901 KCVBHAPJTUVNKF-UHFFFAOYSA-N 342.420 2.358 0 1 EEAF C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@H]2CCC(=O)N2C2CCCC2)C1 7991322 ODBQOHMVJQEFQL-SOLBZPMBSA-N 349.519 2.404 0 3 EEAF CC(C)N1CCC(Oc2ccc(C3=NNC(=O)[C@H]4C[C@H]34)cc2)CC1 103260400 ODCFXBPEVBNSRH-IRXDYDNUSA-N 327.428 2.408 0 1 EEAF O=C(O)c1cc(C(F)(F)F)ccc1SCC(=O)N1CCOCC1 28863699 WSTJLLJJRDMARX-UHFFFAOYSA-N 349.330 2.355 0 1 EEAF Cc1ccnc(N2CCN(CC[C@@H]3NC(=O)c4ccccc43)CC2)c1 29306177 DQPPITADMDONIT-SFHVURJKSA-N 336.439 2.387 0 1 EEAF O=C(O)[C@H]1[C@@H]2OC[C@H](CN1Cc1ccc(-c3ccccc3)cc1)O2 62233430 PMUYTVHQMSCDNN-JENIJYKNSA-N 325.364 2.364 0 1 EEAF COc1c2c(c(C=O)c3c(COC(C)=O)coc13)[C@@H](C)[C@@H]1O[C@@H]1[C@@H]2O 35086411 QSPXRVDTGKRUHN-JVFFANRSSA-N 346.335 2.235 0 1 EEAF CN(C)CCNC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 261100572 GFYRRTREXCHBPF-UHFFFAOYSA-N 342.378 2.447 0 1 EEAF CC(C)Oc1cc2c(cc1NC(=O)c1cccnc1)n(C)c(=O)n2C 653822835 OZPIPZLDAGXTLH-UHFFFAOYSA-N 340.383 2.312 0 1 EEAF Oc1nc(O)c2cc(Cc3ccccc3)c([C@H]3CCCNC3)nc2n1 587556578 WPJAQRZZWBJUHZ-ZDUSSCGKSA-N 336.395 2.494 0 1 EEAF COC(=O)c1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cn1 587156408 NCRFFGJJZQMPJX-BMLIUANNSA-N 326.331 2.225 0 1 EEAF NS(=O)(=O)c1ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1 587115368 LIMAQDLFUYBCTL-UHFFFAOYSA-N 342.302 2.291 0 1 EEAF CC1=C(c2ccc3nc(CCOCC4CC4)[nH]c3c2)NNC(=O)C1 587783125 GDGIALUDIBKZCR-UHFFFAOYSA-N 326.400 2.288 0 1 EEAF Nc1ncnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 587077561 WJBBTPWNMBAMIF-UHFFFAOYSA-N 341.762 2.424 0 1 EEAF CCCCN1CCN(C(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)CC1 203475141 MMJCRKYMTKRPRL-UHFFFAOYSA-N 345.443 2.354 0 3 EEAF COc1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1 28767200 PBVNDCIXBNKYOR-UHFFFAOYSA-N 329.381 2.195 0 1 EEAF Cc1nn(C)c2c1C(c1cccc(F)c1)=NCCN2CCCN(C)C 28087386 FQWBSXYQSDDPQM-UHFFFAOYSA-N 343.450 2.477 0 1 EEAF C[C@@H](O)[C@H]1CC(=O)[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C=C1C[C@H]3O 2356501825 OASBCMLUEZFXHQ-UUEOBNQKSA-N 348.483 2.457 0 1 EEAF O=C(O)CCCc1ccc(NC(=O)[C@H](O)[C@H](O)c2ccccc2)cc1 26575508 FIBDCYWSAATLNF-QZTJIDSGSA-N 343.379 2.127 0 1 EEAF COc1cccnc1-c1c(O)c(=O)[nH]c2cc(Cl)ccc2c1=O 26840551 SBEYXWQZXQQAPH-UHFFFAOYSA-N 330.727 2.318 0 1 EEAF CCOc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1 34646199 IXKUFRHHVCDHMD-UHFFFAOYSA-N 329.381 2.045 0 1 EEAF Cc1csc2c(=O)n(CCc3n[nH]c(-c4ccncc4)n3)cnc12 32576314 SPYJVFIABSTYNH-UHFFFAOYSA-N 338.396 2.189 0 1 EEAF O=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@@H]2[C@H](O)CC[C@H](O)[C@H]12 13433769 GNGBJYHHQABICI-MQRGZFNUSA-N 338.359 2.194 0 1 EEAF biogenic O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)Oc1ccccc1 195283564 LSSXITVLSRQODU-GQBYMUMSSA-N 337.375 2.035 0 1 EEAF COc1ccc([C@@H]2SCCC(=O)N2NC(=O)c2ccncc2)cc1 84632051 ZKGLYYZUZXSAGC-KRWDZBQOSA-N 343.408 2.399 0 1 EEAF Cc1cc(OCCCN2CCN(C)CC2)nc(-c2ccccc2)n1 299834469 LLNGMTNIHNMDBQ-UHFFFAOYSA-N 326.444 2.468 0 1 EEAF CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)CN1 587791521 GDGLPNKOHPQIHV-GLEZIHRCSA-N 339.208 2.394 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1cnn(C(C)(C)C)c1)O2 587391048 KDYKLUXNBPPMOI-GOSISDBHSA-N 343.383 2.474 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nncn2C)N1 587752459 FDFOAPGHNPMQLY-JMCQJSRRSA-N 325.185 2.340 0 1 EEAF O=C(O)C1=CNN2C1=N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 13130364 NTHNIUYWFWSGDD-GHMZBOCLSA-N 329.253 2.389 0 3 EEAF CC(C)[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCCC1 28118161 FHKALBCCNXQEEI-INIZCTEOSA-N 343.431 2.463 0 1 EEAF CC1=CCC[C@H]2[C@]1(CO)[C@H](O)C[C@@H](C)[C@@]2(C)CCC(=CCO)CO 2356613478 NJLSXRXWVWUJTF-YHUYVZNPSA-N 338.488 2.420 0 1 EEAF C[C@]1(CO)C[C@H](O)C[C@]2(C)[C@@H]1CC[C@@H]1C[C@H]3C[C@@]12CC[C@]3(O)CO 2356699915 OAKHNFTWNASSDJ-QJAFIPRCSA-N 338.488 2.086 0 1 EEAF CC(=O)c1c(O)c2c(c3c1OC(C)(C)[C@@H](O)[C@@H]3O)OC(C)(C)C=C2 14616782 DHWMEIUMQKRKAS-CJNGLKHVSA-N 334.368 2.344 0 1 EEAF biogenic CC(C)[C@H]1COCn2nncc2CC[C@@H](Cc2ccccc2)C(=O)N1 95898355 ADLJLGXRUSRGBZ-FUHWJXTLSA-N 342.443 2.198 0 1 EEAF C[C@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 146622157 PJBYEAHTNJECTC-SSTOSGBZSA-N 334.456 2.355 0 1 EEAF Cn1cc([C@H](NC(=O)c2ccc(Cl)s2)C2CC(O)C2)cn1 230552706 PFPKVYJQHLYIRW-QDPIBXHXSA-N 325.821 2.377 0 1 EEAF COC(=O)[C@H]1C[C@@H](C(=O)OC)[C@H]2ON=C(c3ccccc3Cl)[C@@H]12 653794119 SXUCNWXEHXNODJ-UZWIWUQPSA-N 337.759 2.041 0 1 EEAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 587249051 FJOPIFSXXRKWIL-HNNXBMFYSA-N 325.328 2.158 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COCC(=O)C2)N1 587837036 YXARWWQUYBIGLW-XLKFXECMSA-N 328.181 2.307 0 1 EEAF COc1cccnc1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230969 RFVHRYWGSYILKC-RDJZCZTQSA-N 335.363 2.327 0 1 EEAF COC(=O)C[C@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962699308 INTPUSJVFQOOTA-FZMZJTMJSA-N 349.280 2.222 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H]1OC(=O)[C@@H]3C[C@@H](O)C[C@@H]2[C@@H]13 15165375 GFUMUSWDMNZQDZ-YSPUSZITSA-N 346.379 2.223 0 1 EEAF endogenous,in-man O=C(C=Cc1ccco1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1857624375 PSZVNUKDWRDSFJ-UHFFFAOYSA-N 340.379 2.366 0 1 EEAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNCCCCN)[C@@H]2CC1 253952363 ZMDVEVDXHVWYSY-BRFLTPSNSA-N 336.476 2.151 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NCC1[C@@H]2CC3C[C@H]1CN(C3)C2 5956 NXFATKJPSQMNCO-OEIYDUSMSA-N 349.862 2.248 0 1 EEAF O=C(/C=C/c1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O 26945376 DIOCDXAAZLGSTP-ZHACJKMWSA-N 343.360 2.045 0 1 EEAF C[C@@H](CCOc1ccc2ccc(=O)oc2c1)CC(=O)[C@H](O)C(C)(C)O 14587274 HBMSEMYDXQVXRB-SGTLLEGYSA-N 348.395 2.289 0 1 EEAF biogenic CCc1cc(C(=O)OC)c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)s1 195461682 CYHGZIVWKOOGOU-PNZRWIHMSA-N 331.393 2.409 0 1 EEAF O=C(O)c1ccccc1-n1cc(CN2CC[C@@H](c3cc[nH]n3)C2)cn1 299851556 USTANZGNWGPKGE-CQSZACIVSA-N 337.383 2.283 0 1 EEAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587091832 JNSXDOCXIMXYGR-ZCFIWIBFSA-N 342.277 2.023 0 1 EEAF COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(C(C)(C)C)[C@@H](C2)C3=O 587448389 ITQIUDUUYIBIBB-SJCJKPOMSA-N 338.425 2.272 0 1 EEAF COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4cc(F)ccc41)[C@@H](C2)C3=O 587429279 TZAWJBIYTLVPHH-DJJJIMSYSA-N 339.322 2.454 0 1 EEAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(=O)O)cc2[nH]1 586961022 DZOWCPDEGSMOJP-ZCFIWIBFSA-N 331.357 2.192 0 1 EEAF O=C(NCCCc1ccccn1)c1ccc(N2CCCCO2)nc1 11937179 SBCSBFRFEIPXHQ-UHFFFAOYSA-N 326.400 2.371 0 1 EEAF CCN(CC)CC(=O)N1CCC[C@@H](C(=O)c2ccccc2OC)C1 13596642 LJCAPTLGUFKCOY-OAHLLOKOSA-N 332.444 2.458 0 3 EEAF CCc1cc(Nc2cc(=O)n(CCCCCO)c(=O)[nH]2)ccc1C 13674918 XVXBDBZBXLUWGE-UHFFFAOYSA-N 331.416 2.314 0 1 EEAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3NC[C@H]2O)OCO4 14612205 FQGXOUZHUXOCIV-CHWSQXEVSA-N 341.363 2.333 0 1 EEAF endogenous,in-man CNC(=N)NC[C@]1(C)[C@H]2CC[C@H](C)[C@@]13C[C@@H](COC)C(C(=O)O)=C3C2 2356357564 TXOWICKHJZONHF-UNVVTRJASA-N 349.475 2.220 0 1 EEAF C[C@]12C(=O)O[C@@H]3C[C@@H]4c5occc5C(=O)C[C@@H]4[C@@]4(CC[C@@]1(O)OC4)[C@H]32 2356335743 CBUZTSOSSFLWTE-ZSRFGQHXSA-N 344.363 2.016 0 1 EEAF Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)N2CCOCC2)N3C)cc1 100728095 SAGKYUWOOFCCBT-ZSYWTGECSA-N 328.456 2.420 0 1 EEAF NC(=O)O[C@@H](CCN1CCN(c2ccccn2)CC1)c1ccccc1 118064967 MXHHMSOYGOLVRZ-KRWDZBQOSA-N 340.427 2.430 0 1 EEAF O=C(O)c1ccc(CN2C[C@H]3C[C@H]2C(=O)Nc2ccccc2O3)cc1 2356342954 GZCIUUOLWDXGII-ZBFHGGJFSA-N 338.363 2.359 0 1 EEAF C[C@@]1(C(=O)NCC(F)(F)F)CCN1C(=O)C1(c2ccccc2)CC1 61926625 CZXAUMFGVTZWSS-HNNXBMFYSA-N 340.345 2.388 0 3 EEAF COc1c(O)cc2c(c1O)C(=O)[C@H](OC(C)=O)[C@@H](c1ccccc1)O2 2356721529 IFGSAERKBCGIJK-AEFFLSMTSA-N 344.319 2.355 0 1 EEAF CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C/[C@@H]1C 33943468 XHGSXZXWBLXYTP-CWTRFQJKSA-N 340.416 2.281 0 1 EEAF CN1CC(C(=O)NCc2cccc(-c3ccccc3F)c2)=C(O)C1=O 219150226 RLZUGVLUSKPAJV-UHFFFAOYSA-N 340.354 2.393 0 1 EEAF COc1cncc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)n1 95557070 UREVBXPANLJZQJ-KBPBESRZSA-N 349.394 2.099 0 1 EEAF COc1cc(/C=C\C(=O)OC[C@H](O)c2ccc(O)cc2)ccc1O 238781448 CLQSQZGNPFWGAE-QBIOEUEZSA-N 330.336 2.396 0 1 EEAF Nc1nc(N2C[C@H]3CCN[C@H]3C2)c2oc3ccc(Cl)cc3c2n1 261092481 DSARWPRWXDBOQN-KCJUWKMLSA-N 329.791 2.410 0 1 EEAF Cn1nc(C(F)(F)F)cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587118952 USPSCMVESPGPNP-UHFFFAOYSA-N 337.261 2.313 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncnn2C)N1 587759742 MMDQRGGODSYNRL-MADCSZMMSA-N 325.185 2.340 0 1 EEAF Nc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587574720 GUKFEXAEGJZZJD-YOEHRIQHSA-N 335.319 2.467 0 1 EEAF O=C1C[C@@H](CNC(=O)C2CCOCC2)Oc2c1ccc1c2CCCC1 587511519 LLVPPGYJRXDASF-HNNXBMFYSA-N 343.423 2.442 0 1 EEAF Nc1ncc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(O)n1 587254223 WSNNKVIKUMSILH-UHFFFAOYSA-N 331.335 2.539 0 1 EEAF O=C(Nc1ncnc2c1cnn2CCN1CCCC1)C1CCCC1 145045071 QBJQVDXAPVHVLZ-UHFFFAOYSA-N 328.420 2.051 0 1 EEAF C[C@H]1CCc2nn(CC(=O)NCc3ccc4c(c3)OCO4)cc2C1 5148311 AIIGNIFYOFWJCG-LBPRGKRZSA-N 327.384 2.053 0 3 EEAF OCC(CO)OCn1c(Cl)nc2cc(Cl)c(Cl)cc21 5932802 ULJMAMZWWMAORH-UHFFFAOYSA-N 325.579 2.324 0 1 EEAF Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)NC[C@@H]2CCCO2)cc1 1379562 XCOFVRJXVFNOJM-HOTGVXAUSA-N 331.416 2.287 0 3 EEAF N=C(N)c1cccc(OCCCCOc2cccc(C(=N)N)c2)c1 6092496 NQRUGGAQLZEIKK-UHFFFAOYSA-N 326.400 2.493 0 1 EEAF Cn1ccnc1SCc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1 103965584 UJRFQKRZJHNEIP-UHFFFAOYSA-N 338.396 2.086 0 3 EEAF CCO[C@@H]1C=C[C@]23c4cc5c(cc4[C@H](OC)O[C@H]2CN[C@H]3C1)OCO5 2356306211 HIRWMWMVHFIAHG-BBVHWWONSA-N 345.395 2.034 0 1 EEAF CC(C)NC[C@H](O)COc1ccc(C[S@@](=O)CC2CC2)cc1 25967295 KALNDAPKXOYQKD-KSFYIVLOSA-N 325.474 2.083 0 1 EEAF C/C=C/[C@@H]1Oc2ccc(OC)cc2N2C(=O)[C@H](C)[C@@H](OCOC)[C@@H]12 36384613 BSKPAPARTCMSGM-DNJUJLSBSA-N 333.384 2.373 0 1 EEAF CC(C)N1CCN(C(=O)c2cc(CN3CCCCC3)cn2C)CC1 35857736 RNCRXOFZYADCCD-UHFFFAOYSA-N 332.492 2.177 0 1 EEAF N[C@@H](Cc1ccc(-c2cnc(NCc3ccccn3)cn2)cc1)C(=O)O 40801652 XYZBNRVDRXTESU-INIZCTEOSA-N 349.394 2.105 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)N(C)C)N1 587741680 OJYLXCYLQGMHTM-RTHLEPHNSA-N 329.213 2.426 0 1 EEAF Nc1nc(O)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2n1 587086758 DTVHXIJHSOKZTE-UHFFFAOYSA-N 339.746 2.418 0 1 EEAF Nc1ncc(-c2nc3c(N)ncnc3[nH]2)c(-c2ccccc2Cl)n1 587060902 QJPNSUJOWNGZFE-UHFFFAOYSA-N 338.762 2.295 0 1 EEAF COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc1O 224024850 LGXSIEAJQHZERP-HQPKTYMTSA-N 341.363 2.226 0 1 EEAF COc1cccc(C(=O)CN2C(=O)C3(OCCO3)c3ccccc32)c1 1772635343 IKHRBFYEVSOMJT-UHFFFAOYSA-N 339.347 2.124 0 1 EEAF COc1cc([C@H]2COc3cc(O)c(C)c(O)c3C2=O)c(O)cc1O 14647629 JEHZELNRHHBZFM-SECBINFHSA-N 332.308 2.185 0 1 EEAF biogenic,in-vitro O=C1CC[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 169306089 XNXORWDKIQPSNX-ITHTXLDVSA-N 325.408 2.411 0 1 EEAF NCCCNCCCCNCC(=O)Nc1cccc2ccccc12 169331168 VOWATUKNMWDCKZ-UHFFFAOYSA-N 328.460 2.087 0 1 EEAF O=C(Nc1cc(Br)ccc1-c1nn[nH]n1)c1ccco1 1857629743 WGZLBJQVNPPYMT-UHFFFAOYSA-N 334.133 2.475 0 1 EEAF C[C@H](C(=O)N1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 6803112 BYOKMOXKOJVIKJ-CYBMUJFWSA-N 338.411 2.462 0 1 EEAF O=C(Cc1c[nH]c2cc(O)ccc12)N[C@H](Cc1ccccc1)C(=O)O 59211722 XYOSMXFVURVKBE-QGZVFWFLSA-N 338.363 2.228 0 1 EEAF in-vitro COc1ccc2c3c1O[C@H]1[C@@H](O)C(C)(C)C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 27845452 IXRJVYCFCPTYKT-VTCSZTPNSA-N 329.440 2.361 0 1 EEAF Cc1cc(=O)n(C(=O)c2ccccc2I)o1 103289965 FOGKRRWUIDTODH-UHFFFAOYSA-N 329.093 2.043 0 1 EEAF O=C(N[C@H]1CCCNC1)c1ccc(O)c2nc(-c3ccccc3)[nH]c12 118675566 HCOYOZKRGRMGIL-ZDUSSCGKSA-N 336.395 2.417 0 1 EEAF Cc1ccc(S(=O)(=O)Nc2cncc(-c3cnc(N)nc3)c2)cc1 73166627 VDYLONLMKRMLBV-UHFFFAOYSA-N 341.396 2.230 0 1 EEAF Brc1ncnc2c1ncn2C[C@H]1COc2ccccc2O1 72180840 WOSRPOFZFDNIOT-VIFPVBQESA-N 347.172 2.429 0 1 EEAF c1cc2c(cc1NC1=NCCN1)Cc1ccc(NC3=NCCN3)cc1-2 139648778 RGIFWHHHTHXYNB-UHFFFAOYSA-N 332.411 2.000 0 1 EEAF O=C(O)CNC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 96928651 QQEANMQHLIXQJV-UHFFFAOYSA-N 347.371 2.449 0 1 EEAF COc1cc2c3c(c1O)[C@]1(CC[C@@H](O)[C@H](OC)C1)C[C@@H]3N(C)CC2 238731593 KCTHYDYDNKJILM-FAYLSGKYSA-N 333.428 2.131 0 1 EEAF Cc1nn(C[C@@H](C)C(=O)OCCN(C)C)c(C)c1Br 621476479 CEJLGAWDIUHTCT-SECBINFHSA-N 332.242 2.003 0 1 EEAF Fc1ccccc1CO[C@H]1C[C@H]2CN(c3ncccn3)CCN2C1 299843209 OIUFFOQGOSDJHD-HOTGVXAUSA-N 328.391 2.095 0 1 EEAF COC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441726 HCCHZHMTBPWCPL-CWTRNNRKSA-N 346.379 2.360 0 1 EEAF COC(=O)Cc1ccccc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587783591 VRRJVWLYIGFHLJ-UHFFFAOYSA-N 344.392 2.349 0 1 EEAF C[C@@]1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C=C(c2ccccc2F)NO1 587156479 OBLXIJWPYYDVLE-HNNXBMFYSA-N 346.753 2.301 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(OC)nc2[nH]1 587231090 LQNABEZJKAOWBP-NEPJUHHUSA-N 332.404 2.003 0 1 EEAF Nc1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1CC(=O)O 587250818 ZORKFXJLDLUREQ-UHFFFAOYSA-N 329.287 2.277 0 1 EEAF COC(=O)c1c(-c2ccncc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650635 AQOOHUBQMMFWNA-UHFFFAOYSA-N 330.365 2.420 0 1 EEAF COc1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cn1 587193951 JTLZMBUSIGDMMV-NSHDSACASA-N 349.435 2.484 0 1 EEAF COc1cc(C)c(N)c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587249968 QMBUEHOKLIJDRO-UHFFFAOYSA-N 333.369 2.376 0 1 EEAF COc1ccc2c(c1OC)[C@](c1cccs1)(C(O)O)N(C)[C@@H](C)C2 962632540 UGVPAYKFQFCMRJ-BBATYDOGSA-N 349.452 2.196 0 1 EEAF COC(OC)[C@]1(C(C)C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963225388 JYVKOEBRQZZODY-VQIMIIECSA-N 344.411 2.304 0 1 EEAF Brc1ccc2nc(N3CCCCC3)c3nnnn3c2c1 1857772590 IXVBLMRJCZWLJA-UHFFFAOYSA-N 333.193 2.425 0 1 EEAF CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2cnsn2)C1 12449263 UOWBRWMOGYBYBQ-AWEZNQCLSA-N 331.445 2.060 0 1 EEAF COc1ccc(-c2ccccc2Oc2cc(=O)n(O)c(=O)n2C)cc1 1857596509 SAMSULGCUCSOJQ-UHFFFAOYSA-N 340.335 2.252 0 1 EEAF CC(=O)c1cc(S(=O)(=O)c2ccc(O)c(C(C)=O)c2)ccc1O 1651545 BTWAJJBVZFAYDM-UHFFFAOYSA-N 334.349 2.336 0 1 EEAF Cc1nc2nc(C)c(CCC(=O)N3C[C@@H](C)C[C@H](C)C3)c(C)n2n1 4936249 MZIUJIRYAXTOED-RYUDHWBXSA-N 329.448 2.487 0 1 EEAF Cc1cc(NC(=O)CN2CCC(O)(c3cccc(F)c3)CC2)no1 4985109 PHVDAIORHFPGQX-UHFFFAOYSA-N 333.363 2.044 0 3 EEAF CC(=O)Nc1nc(-c2ccc(P(=O)(O)O)o2)c(CC(C)C)s1 66112017 VCHJDMLZLXDYLB-UHFFFAOYSA-N 344.329 2.363 0 1 EEAF COc1cccc(CCN2CC[C@@H]3CNCC[C@@H]3CC2=O)c1OC 2356844623 NXHNUUINGWBOEO-HZPDHXFCSA-N 332.444 2.094 0 1 EEAF CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1 28821280 ONSBLCCSCRKRKU-UHFFFAOYSA-N 348.487 2.289 0 1 EEAF CC(=O)O[C@@H](C)[C@H](/C=C1/C=C(C)C2=NCC[C@@H]3O[C@@]213)OC(=O)C(C)C 33956185 MRUZXUQKRAPYFF-LBCZDHNXSA-N 347.411 2.374 0 1 EEAF in-vitro COc1ccc2c(c1)CN[C@H]2CS(=O)(=O)NCCc1ccccc1 96020219 CXIYLPXHPCSGQO-SFHVURJKSA-N 346.452 2.002 0 3 EEAF CC(=O)N1c2ccccc2[C@@]23CCN4C[C@H]5[C@@H](C)OC[C@@H]([C@H]12)[C@H]5C[C@H]43 145935891 BYQCMXYHBHKSQD-IULLBQDFSA-N 338.451 2.418 0 1 EEAF COc1cc2c3c(c1)O[C@H](C(C)(C)CN1CCOCC1)[C@@H](C2)C3=O 587444860 RGEDHZHIETUBGE-KSSFIOAISA-N 331.412 2.170 0 1 EEAF C[C@@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)N(C)C 587191853 OALOCYLTFOWACE-NSHDSACASA-N 326.404 2.115 0 1 EEAF CC(=O)N[C@@H](Cc1nc2ccc(C(N)=O)cc2[nH]1)c1ccc(C)cc1 587216522 DEMBPDKRGIVXAC-INIZCTEOSA-N 336.395 2.390 0 1 EEAF O=C(O)C/C=C(\NNc1ncc(C(F)(F)F)cc1Cl)C(=O)O 957626675 ZBRLWMZXQDCRGL-XFSBKJJWSA-N 339.657 2.114 0 1 EEAF CCN1C(=O)[C@]2(NCCc3c(C(=O)O)cccc32)c2cc(F)ccc21 963153600 VPEJJEVNQWROIN-LJQANCHMSA-N 340.354 2.280 0 1 EEAF Cc1nonc1[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972142 UBXXKTSCPAUFSK-YMTOWFKASA-N 343.717 2.172 0 1 EEAF COC(=O)[C@@H]1CCc2occc2[C@@]12NCCc1c(C(=O)O)cccc12 963154332 WXEGCWAAHOGUOL-HNAYVOBHSA-N 341.363 2.103 0 1 EEAF Oc1cc(-n2cccn2)ccc1-c1ccc(OC2CCNCC2)nn1 146724574 MMCZCFOMQLDRNW-UHFFFAOYSA-N 337.383 2.166 0 1 EEAF O=C1C[C@@H](O)[C@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]12 169359152 GREJPBKWGASYSC-UBDQQSCGSA-N 332.396 2.350 0 1 EEAF COc1cccc(Nc2cc(NC(=O)CCCC(=O)O)ncn2)c1 1857656503 XGCIQQCBKZDMPK-UHFFFAOYSA-N 330.344 2.422 0 1 EEAF Cc1nc2sccc2c(=O)n1NC(=O)Nc1ccc2c(c1)OCO2 1857762137 LVLLHXKIHVLKJT-UHFFFAOYSA-N 344.352 2.271 0 1 EEAF CN1c2ccccc2S(=O)(=O)n2c(COc3ccccc3)nnc21 1589183 MCCJDTZJKMPXCS-UHFFFAOYSA-N 342.380 2.175 0 1 EEAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H](O)[C@@H]1[C@@H]3C[C@@H](C[C@H]12)OC3=O 100780931 OEIFXOHVCYVTGK-SESWYQNISA-N 346.379 2.223 0 1 EEAF endogenous,in-man COc1cc(OC)cc(OCCCNc2nc(N)nc(O)c2N=O)c1 27735410 WGFQHVGQLDHRRT-UHFFFAOYSA-N 349.347 2.061 0 1 EEAF C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1 68248154 AYHCJXIBRDMYBV-QGZVFWFLSA-N 346.471 2.455 0 1 EEAF CN1CCN(CC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1 22940450 JWIJGZQWKSXTDS-FQEVSTJZSA-N 330.472 2.271 0 1 EEAF COc1ccc(C=C(NC=O)C(=Cc2ccc(O)cc2)NC=O)cc1 2356670580 TYQOIZVNOQGSQC-UHFFFAOYSA-N 338.363 2.275 0 1 EEAF O=C(O)CCCCCCC=CC(=O)N[C@H](CO)Cc1ccccc1O 2356818269 DSGPWSYQJVLDOV-INIZCTEOSA-N 349.427 2.393 0 1 EEAF CN(CCCCN1CCOCC1)c1nncc(-c2ccccc2)n1 20599280 FHNDFOLOXXJEOK-UHFFFAOYSA-N 327.432 2.087 0 1 EEAF CO[C@H]1/C=C/[C@@](C)(O)CCC(=O)O[C@H](C)[C@@H](C)C[C@@H](O)/C=C/1C 37538506 OQBWAWZWLOIZFL-VJTQDIFFSA-N 326.433 2.368 0 1 EEAF CCc1cc(=O)oc2nc(OCc3cccc(OC)c3)[nH]c(=O)c12 73161221 BPPNNQKNOGTGBV-UHFFFAOYSA-N 328.324 2.026 0 1 EEAF COc1ccc(C2=NNC(=O)C[C@@H]2C)n2cc(C(F)(F)F)nc12 73199686 VHLHTLHAKRYYNU-ZETCQYMHSA-N 326.278 2.222 0 1 EEAF CN1C(=O)N(c2ccc(F)cc2)C(=O)[C@@]12OC(=O)c1ccccc12 40567121 ISBUWLQOCPSROA-QGZVFWFLSA-N 326.283 2.248 0 1 EEAF CC(C)n1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H](C)CN2 82224527 VGVWMJWCXUMDHN-LBPRGKRZSA-N 348.447 2.486 0 1 EEAF C[C@H](NC(=O)Cc1ccccc1C(=O)O)C1Nc2ccccc2N1 96929603 LLEPQBZGPYTRRD-NSHDSACASA-N 325.368 2.296 0 1 EEAF Cc1c(Cc2ccncc2)c(Cl)nc2nc(N)c(C(N)=O)cc12 95557195 DNPFMSQGBACHCZ-UHFFFAOYSA-N 327.775 2.259 0 1 EEAF Cc1cnc(C(=O)NN2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cn1 653918440 GQDRYKPLUGNPEQ-OAHLLOKOSA-N 348.815 2.357 0 1 EEAF CC(C)(C)OC(=O)NC1(c2nc3cncnc3[nH]2)CCC(=O)CC1 587234182 HPGPYHUPLPGYQS-UHFFFAOYSA-N 331.376 2.216 0 1 EEAF C[C@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)N(C)C 587189230 AEDHYHOFCDHYFC-MRVPVSSYSA-N 335.351 2.349 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2COC[C@H]1CC(C(=O)O)C2 587408411 MPKIDPJKMGJRGC-CQHYGJOFSA-N 331.368 2.038 0 1 EEAF C/C=C/C[C@@H]1c2cc3c(O)nc(O)nc3nc2C[C@@H]1CC(=O)OC 587559056 FCSJDDUNHVUNPS-OKWQPMOJSA-N 329.356 2.221 0 1 EEAF CCCn1c(=O)c2[nH]c([C@H]3C[C@@H]4C=C[C@H]3C4)nc2n(CCC)c1=O 12405341 LMZOGRHOEMOQIR-AGIUHOORSA-N 328.416 2.386 0 1 EEAF COC(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)OCc1ccccc1 13443213 JRZYDSARXPRVQB-FPMFFAJLSA-N 332.356 2.011 0 1 EEAF Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnc(N(C)C)c1 13826185 AEUDTQVWCOHZBQ-UHFFFAOYSA-N 327.413 2.426 0 1 EEAF CCCc1cc(CNC(=O)CC)ccc1OC[C@@H](O)CNC(C)C 169335422 QIGDZOCNDHXALI-KRWDZBQOSA-N 336.476 2.403 0 1 EEAF O=c1c(S(=O)(=O)c2ccccc2)c[nH]c2cc3c(cc12)OCCO3 4903944 SLZQXIHUEJRWGR-UHFFFAOYSA-N 343.360 2.132 0 1 EEAF Cc1ccc2c(cnn2C(=O)CCCC(=O)NCCN2CCCC2)c1 6768599 NZUDCERSCOYUMJ-UHFFFAOYSA-N 342.443 2.367 0 1 EEAF CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)N1CCCC1 29216351 PDYPHDGHRXHNNJ-AEFFLSMTSA-N 349.500 2.021 0 1 EEAF O=C(c1ccc(Cl)cc1)N1CCNC[C@H]1COc1cccnc1 114581864 AIANUZPAXXVFHE-HNNXBMFYSA-N 331.803 2.228 0 1 EEAF C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccon1)c1ccccc1 36387774 IVAFWYSYNSSCQT-SNVBAGLBSA-N 325.328 2.141 0 3 EEAF CNCC(=O)Nc1ccc([C@@H]2NC(=O)C(C)(C)c3ccccc32)cc1 33823795 DFNNFJVYZRZOGF-SFHVURJKSA-N 337.423 2.341 0 1 EEAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(O)cc1 1911582220 OTXHTHLWMVZZDQ-OAHLLOKOSA-N 327.336 2.356 0 1 EEAF NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccco3)nc2)cc1 84633763 VABHQKGXRGFTKT-UHFFFAOYSA-N 343.364 2.241 0 1 EEAF CCOC(=O)[C@@H]1c2[nH]c3ccccc3c2C[C@@]2(C(=O)OC)C=CCN12 96018521 SFQSIPZXKATNBG-QFBILLFUSA-N 340.379 2.112 0 3 EEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1COC1COC1 587614989 FBLHIMYXPHTVOH-HOTGVXAUSA-N 328.320 2.138 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1OCC(N)=O)O2 587389517 KXRVHXCRMWPIRH-IBGZPJMESA-N 340.379 2.322 0 1 EEAF Nc1nccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966456 FAJRQQQJJBWTMW-UHFFFAOYSA-N 325.357 2.277 0 1 EEAF O=C(CSc1nc2nncc-2c(O)[nH]1)NCc1ccccc1Cl 13116759 WSSOWGDETONSHN-UHFFFAOYSA-N 349.803 2.072 0 3 EEAF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)N2CCOCC2)N3C)cc1 13740284 SAGKYUWOOFCCBT-MANSERQUSA-N 328.456 2.420 0 1 EEAF C=Cn1ccnc1[C@H]([C@H](O)c1cc(OC)c(OC)c(OC)c1)N(C)C 377946 LWWOKJBXGOIIAV-JKSUJKDBSA-N 347.415 2.346 0 1 EEAF COc1cc(OC)nc([S@](=O)c2cccc(Cl)c2C(=O)O)n1 103190216 WSPVSMQGRPVQRY-QFIPXVFZSA-N 342.760 2.012 0 1 EEAF O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 9441593 PFYJHDUAFKEDQT-UHFFFAOYSA-N 347.440 2.119 0 1 EEAF COc1ccc(C2=C(OCCN3CCCCC3)COC2=O)cc1OC 72173555 MMIHGZLQKONYHO-UHFFFAOYSA-N 347.411 2.474 0 1 EEAF COc1cc(OC)c([C@@H](OC(C)=O)[C@@H](C)OC(C)=O)cc1OC 14817941 XGAOQHXEUYLUCB-ABKXIKBNSA-N 326.345 2.268 0 1 EEAF biogenic CCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@@H](C)CN2 82211216 BJFIVOQMALYUBK-LBPRGKRZSA-N 344.415 2.027 0 1 EEAF CC1(C)[C@H]2CN(C(=O)N3C[C@@H]4CN(c5ccccn5)C[C@@H]4C3)C[C@H]21 96283271 BNPTVHTYSPQYAZ-GEEKYZPCSA-N 326.444 2.157 0 1 EEAF CNc1nonc1/C(=N\O)Nc1ccc(F)c(Br)c1 144960785 RCQRMWRIVIQLSA-UHFFFAOYSA-N 330.117 2.261 0 1 EEAF CC1=CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1[C@@H](OC(=O)C(C)C)C[C@@]2(C)O 238732948 WJNZGUAPRXHHKP-NTOJFBDHSA-N 336.428 2.469 0 1 EEAF CSCC(=O)N1CC[C@H](SCc2ccc(F)cc2)[C@@H]1C(=O)O 25187455 OPKXHVQHKYMMTN-GXTWGEPZSA-N 343.445 2.476 0 1 EEAF biogenic CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCC(C)C)[C@H]1NC(C)=O 299818843 ALAHZPBFSZUJCD-GVDBMIGSSA-N 340.464 2.094 0 1 EEAF CNc1nccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587581005 UOQRHDNSGPIGCB-QAPCUYQASA-N 349.346 2.927 0 1 EEAF O=C(c1cc(-c2cc[nH]c2)[nH]n1)n1ncc2ccc(Cl)cc2c1=O 587654074 HKENRULJYQXVCI-UHFFFAOYSA-N 339.742 2.457 0 1 EEAF Cc1c(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586903512 LAVMOGOVRUAYMK-LBPRGKRZSA-N 347.396 2.148 0 1 EEAF C=CC(=O)Nc1cccc(CNc2c(C(N)=O)cnn3cccc23)c1 1772626591 JTIFCACVBIMKLW-UHFFFAOYSA-N 335.367 2.170 0 1 EEAF COc1ccc(OC(=O)COc2ccc(F)c(C(N)=O)c2F)cc1 1772578394 LFPYSQSJKBZSSY-UHFFFAOYSA-N 337.278 2.057 0 1 EEAF COC(=O)CCCCOc1ccc2nc3[nH]c(=O)n(C)c3cc2c1 13725573 UVKKAWHFGLYGRN-UHFFFAOYSA-N 329.356 2.137 0 1 EEAF COc1c2c(cc3oc(CO)cc(=O)c13)O[C@@H]1[C@H]2CCC[C@]1(C)O 2356307892 BQKKVRYZINTZPY-RWRYZHGASA-N 332.352 2.073 0 1 EEAF COc1ccc(CN2CC[C@H](CO)N(C)c3ncccc3C2)cc1 2356619362 DRKAWZCLFQTWTH-QGZVFWFLSA-N 327.428 2.293 0 1 EEAF CC=C(C)[C@H]1Oc2ncc(-c3ccccc3)c(O)c2C1(CO)CO 2356688589 FKZNPCVXRTWCQK-QGZVFWFLSA-N 327.380 2.404 0 1 EEAF COCCNC(=O)[C@]1(C)CCN(C(=O)c2oc3ccccc3c2C)C1 61930245 XWZWAUYHXSWYSJ-LJQANCHMSA-N 344.411 2.356 0 3 EEAF CC(C)NC(=O)N(C)C[C@@H]1Oc2ccccc2C(=O)N(C)C[C@H]1C 95661571 BDHZPLMJHRFXPS-CJNGLKHVSA-N 333.432 2.206 0 1 EEAF CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCC1 95559317 ZLAPMSAIBZDOAB-UHFFFAOYSA-N 333.417 2.077 0 1 EEAF CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)CCC1=O 299863871 LTCNJPNMQRAVIH-LBPRGKRZSA-N 342.317 2.249 0 1 EEAF O=C1N(Cc2ccccc2)c2ccccc2[C@@]12Cn1nncc1CO2 473089288 RBEPVAQWRGUOJB-IBGZPJMESA-N 332.363 2.251 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)NCC2(C)C 587799860 ZJLBHTRTJJFPMT-AYVTZFPOSA-N 341.224 2.474 0 1 EEAF COC(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2n1 587026113 UVCYPKIZLAJKHA-UHFFFAOYSA-N 339.427 2.177 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4cnccn4)c1)[C@@H](C2)C3=O 587432757 RBTLPEJVVFNBNB-SCLBCKFNSA-N 334.335 2.160 0 1 EEAF CCCc1c(O)ccc2c1O[C@H](CCCNS(C)(=O)=O)CC2=O 587482907 FHJSHFYCEYGAMO-LLVKDONJSA-N 341.429 2.008 0 1 EEAF CCCNc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587429199 OYFXVUHWGJQHCL-CXAGYDPISA-N 325.368 2.796 0 1 EEAF COC(=O)[C@@H]1CCCCC[C@@]12NCCc1ccc(C(=O)N(C)C)cc12 962925943 RMJFGGCMEJFNDH-OXJNMPFZSA-N 344.455 2.483 0 1 EEAF COc1ccc2oc(=O)cc([C@H](CC(=O)O)c3c(O)n[nH]c3C)c2c1 1772640940 JISTTXXBXZMHAA-LBPRGKRZSA-N 344.323 2.145 0 1 EEAF COC(=O)/C=C/NC(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1 13305183 UJECFLWSXCNVMR-BQYQJAHWSA-N 337.335 2.335 0 1 EEAF in-vitro CC(C)N(C(=O)N1C[C@@H](NCc2ccccc2)[C@@H](C(=O)O)C1)C(C)C 13862543 PDQVCSLJMQPOPB-DLBZAZTESA-N 347.459 2.400 0 1 EEAF C/C=C/C[C@@H](O)C(=O)[C@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)O)CO1 169361098 AHOVOJJBJRQBJK-KIHISLEUSA-N 342.432 2.338 0 1 EEAF CCCCCn1nnnc1[C@](C)(CC(=O)OC)NCc1ccco1 205858070 PODFONQPOOCKMP-INIZCTEOSA-N 335.408 2.024 0 3 EEAF O=C(COc1ccc(Cl)cc1)NCCNC[C@H](O)c1ccccc1 40503941 YSFJMFHPPPJRKZ-KRWDZBQOSA-N 348.830 2.158 0 1 EEAF c1ccc(N2CCN(CCc3nnc4n3CCCCC4)CC2)cc1 3187156 ICAHWNSHPJLJKZ-UHFFFAOYSA-N 325.460 2.369 0 3 EEAF CCCN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)c1ccccc1F 6803862 NMMHGXRBIWGBTM-YPMHNXCESA-N 328.434 2.311 0 1 EEAF COC(=O)[C@H]1CC2=C(CN1Cc1cc3ccccc3o1)N(C)[CH]N2 2356441395 PNJDKTYYKKIRKA-OAHLLOKOSA-N 326.376 2.046 0 1 EEAF CC(C)(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(C2CC2)n1 2356574466 AKPUQTLELMMLOB-TVFCKZIOSA-N 347.503 2.280 0 1 EEAF COc1c2c(c3c(c1C(OC)OC)C[C@@H](O)OC3=O)CC(C)(C)C2 2356752898 CJKTUWVEHDSJGE-LBPRGKRZSA-N 336.384 2.143 0 1 EEAF COc1c(O)ccc2c1C(=O)N1CCc3cc4c(cc3[C@H]1C2)OCO4 6483441 XSILRSUKELEZIF-CYBMUJFWSA-N 339.347 2.425 0 1 EEAF biogenic N=C(CF)Nc1cccc([C@H](NC(=O)c2ccccc2)C(N)=O)c1 73138770 VPPKASORXGKPDU-HNNXBMFYSA-N 328.347 2.002 0 1 EEAF Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCCC(C)C 82203346 CIFFKDHVEFQWRC-UHFFFAOYSA-N 341.463 2.360 0 1 EEAF O=C(OCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1cc(F)ccc1F 98082548 AEUGKVCQLHUKBW-TXEJJXNPSA-N 335.306 2.073 0 1 EEAF CCNC(=O)c1ccc(OCc2c(-c3ccncn3)noc2C)nc1 143129633 CJWUHHXGASLLJM-UHFFFAOYSA-N 339.355 2.164 0 1 EEAF Cn1c(=O)c2c(cc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O 95593932 ZVCBPTWXXMIPIB-BQYQJAHWSA-N 329.787 2.400 0 1 EEAF C/C=C/C(=O)O[C@@H]1C[C@H]2O[C@H]3C=C(C)[C@@H]4O[C@@H]4[C@]3(C)[C@]1(C)[C@]21CO1 238764447 LAQCZBYXNRANFU-UYIANSCWSA-N 332.396 2.154 0 1 EEAF CN1CCC(OC(=O)[C@H](CO)c2cccc(C(F)(F)F)c2)CC1 96908939 WUBQAMJWWIKNOF-CQSZACIVSA-N 331.334 2.419 0 1 EEAF CNC(=O)[C@H]1CC[C@H]2[C@@H](CCN2Cc2cn(C)c3ccccc23)O1 299841744 DVXOOSHTSWYOKT-RCCFBDPRSA-N 327.428 2.046 0 1 EEAF COc1ccc(OC)c(-c2nc3cccc(C(N)=O)c3[nH]2)c1OC 587928249 ZQOQTCYVGWRUCB-UHFFFAOYSA-N 327.340 2.355 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)N(C)C)N1 587741670 OJYLXCYLQGMHTM-CLAHSXSESA-N 329.213 2.426 0 1 EEAF CCOC(=O)[C@@H](N=O)[C@]1(C)NCCc2c(OC)ccc(Cl)c21 963270685 QSLRECKUGLNZQW-UKRRQHHQSA-N 326.780 2.408 0 1 EEAF Cc1cc2c(cc3c(=O)n(CC(=O)N4CCCCC4)ncn32)s1 5131611 KMZQVSFTLVJRLE-UHFFFAOYSA-N 330.413 2.032 0 1 EEAF CN1[C@@H](C(=O)NCc2ccco2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 12510025 BONJMOFQSPXJNS-CSMYWGQOSA-N 336.395 2.321 0 1 EEAF O=S1(=O)N=C(NC2CCC2)Nc2ccc(Br)cc21 13524729 MSTXQEFWKXMAII-UHFFFAOYSA-N 330.207 2.061 0 1 EEAF CCOc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1 14968066 BKIZPCXJZRNQDH-UHFFFAOYSA-N 344.419 2.018 0 1 EEAF COc1ccc([C@@H]2C[C@H](O)[C@H](O)[C@@H]2NCc2cccc(OC)c2)cc1 2356415304 GZYWGPFFGYSCLN-HAGHYFMRSA-N 343.423 2.071 0 1 EEAF C[C@@H](c1ccccc1F)n1cc(C(=O)NCCCn2ccnc2)nn1 4903153 RTVXTXYUNUCADF-ZDUSSCGKSA-N 342.378 2.043 0 3 EEAF CCO[C@@H](C)C=CC=C[C@H](O)CCC=CC(=O)NCC(C)(C)O 2356284656 OZMRSUOXUTZPNR-HOTGVXAUSA-N 325.449 2.108 0 1 EEAF Cc1noc2ncnc(N3CCC(C(=O)Nc4cccnc4)CC3)c12 20944553 KYTLFMHNHNKHBN-UHFFFAOYSA-N 338.371 2.176 0 1 EEAF COc1ccc(CN2C[C@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)cn1 2356322051 QWGDOYDVDGYGJM-ZBFHGGJFSA-N 339.395 2.089 0 1 EEAF CCCC[C@H](Nc1cc(NC(=O)OCC)nc(N)c1N)[C@@H](C)O 27199934 CTOKUTKEJKJNFE-ZJUUUORDSA-N 325.413 2.166 0 1 EEAF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)C)C=C(C)[C@@]1(O)CC=C(C)[C@H]21 15059775 BRSFRASATUTFRS-INJPQVFBSA-N 332.396 2.309 0 1 EEAF biogenic Nc1nc(-c2ccco2)c2nnn(Cc3cc(F)ccc3F)c2n1 40891513 HIKPTKYPQANVTC-UHFFFAOYSA-N 328.282 2.390 0 1 EEAF CCN(CC)CC(=O)NCc1cc(-c2ccc(OC)c(OC)c2)no1 95552269 ZZFVGMIFLUWYKQ-UHFFFAOYSA-N 347.415 2.317 0 1 EEAF CC(C)n1cnc2c(Nc3ccncn3)nc(C(C)(C)CO)nc21 95594569 KFPJAZJGEGSONG-UHFFFAOYSA-N 327.392 2.211 0 1 EEAF c1cnc(N2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)nc1 299842153 JRBRDUDGPLOLSS-IXDOHACOSA-N 326.400 2.215 0 1 EEAF COC(=O)c1cc2nc(-c3ccc(N(C)C)cn3)[nH]c2cc1OC 587194255 BKJVDMRWJWBDEJ-UHFFFAOYSA-N 326.356 2.486 0 1 EEAF COC(=O)C[C@]1(CC(C)C)NCCc2ccc(C(=O)N(C)C)cc21 962927954 GAEREPSMGRMFBK-IBGZPJMESA-N 332.444 2.339 0 1 EEAF O=C1CC2(CCOCC2)C[C@]2(C1)NCCc1c(C(=O)O)cccc12 963121692 KWNCMJYODFUOCM-IBGZPJMESA-N 329.396 2.276 0 1 EEAF C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ncn2c(cc3sccc32)c1=O 5108371 ACXICIKZWMFVMH-NEPJUHHUSA-N 344.440 2.406 0 1 EEAF CN(C)c1ccc([C@H](Cc2ccccc2)[C@@H]2NC(=S)NC2=O)cc1 5549664 QYIJHYMUTGAMGF-IRXDYDNUSA-N 339.464 2.452 0 1 EEAF CC[C@@H](C)N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@@H]3C1=O 150327192 WBTXSYLBOXAEQH-RZRATATOSA-N 341.407 2.310 0 1 EEAF CC(=O)Oc1ccc(C=Cc2cc(O)cc(=O)o2)cc1OC(C)=O 2356434728 CBBOGUSFOYSFMI-UHFFFAOYSA-N 330.292 2.366 0 1 EEAF O=C(Cn1nc(C(=O)O)c2ccccc2c1=O)c1cc(F)ccc1F 3417918 KYVHWFKJXHBSQZ-UHFFFAOYSA-N 344.273 2.256 0 3 EEAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1[nH]cnc1Cl 103220629 QESBISLYUXFMPY-LLVKDONJSA-N 339.779 2.034 0 1 EEAF Cc1nnsc1C1=NN[C@@H]2SC(C(Cl)(Cl)Cl)=NN12 103215577 AJJFYSYXUHCPMZ-LURJTMIESA-N 343.652 2.127 0 1 EEAF O=S(=O)(C[C@@H]1NCc2cc(F)ccc21)NCCc1ccccc1 96020251 KMKLIVGGOSIARC-KRWDZBQOSA-N 334.416 2.132 0 3 EEAF COC(=O)c1ccnc2[nH]c(-c3cc(OC)c(O)c(OC)c3)nc12 587784572 APYFRTASKVMPDM-UHFFFAOYSA-N 329.312 2.134 0 1 EEAF COC(=O)Cc1ccccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587783459 RWSJBFWPWLIMGH-UHFFFAOYSA-N 337.335 2.276 0 1 EEAF COc1ccc(Cl)c([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)n1 963527922 RFGPOLHNFRZKPR-ZBEGNZNMSA-N 348.786 2.446 0 1 EEAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NC[C@@H](N)C2 1772582771 IOIPGNPFRJOTEC-CYBMUJFWSA-N 349.394 2.194 0 1 EEAF CN(Cc1ccc(F)cc1)c1cc(C(=O)Nc2ccon2)ncn1 1772577844 PITHOLUMNFDFHM-UHFFFAOYSA-N 327.319 2.492 0 1 EEAF COc1ccc(OC)c2c1C[C@@H](O)c1c(OC)ccc(O)c1C2=O 14618198 ZLIDOLMMMSGHPL-LLVKDONJSA-N 330.336 2.239 0 1 EEAF biogenic CN(Cc1ccccc1)C(=O)COC(=O)Cn1cnc2ccccc21 3306111 YHHMWZAARQPWKH-UHFFFAOYSA-N 337.379 2.238 0 3 EEAF COc1ccc(CCCCC(=O)O)cc1Cc1cnc(N)nc1N 3641207 SXJCFBANUYLDDS-UHFFFAOYSA-N 330.388 2.038 0 1 EEAF CC(=O)[C@@H]1C(=O)[C@@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 100382705 TZCOBUQKVNFIQF-JFOHDYCDSA-N 336.391 2.201 0 1 EEAF O=C(N[C@H]1CCCC[C@H]1O)[C@H]1Cc2c(sc3ccccc23)CN1 27108891 SVRBBAYDEIWDKC-RRFJBIMHSA-N 330.453 2.335 0 1 EEAF Cc1csc2nc(=O)c(C(=O)NCCC3=CCCCC3)c(O)n12 100560674 NBRYETFTHMNQIO-UHFFFAOYSA-N 333.413 2.390 0 3 EEAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ncc[nH]4)C[C@H]3F)[nH]c2c1 2356300365 UPQTUWIJCLCUEA-IUODEOHRSA-N 329.379 2.334 0 1 EEAF Cc1ccc(-c2ccc(C[C@H](NCP(=O)(O)O)C(=O)O)cc2)cc1 29306540 JHZHYXHZXCEFHO-INIZCTEOSA-N 349.323 2.383 0 1 EEAF CCOC(=O)N1CCC(N(Cc2ccc(O)cc2)C(=O)N(C)C)CC1 40834333 GVSVHCJWPHESSM-UHFFFAOYSA-N 349.431 2.497 0 1 EEAF COc1ccc(-c2cnnn2-c2ccc(S(C)(=O)=O)cc2)cc1 40390964 ZNJHGPCAFLJJHW-UHFFFAOYSA-N 329.381 2.346 0 1 EEAF O[C@@H]1C2=NCCc3cc4c(c(c32)Oc2c1ccc1c2OCO1)OCO4 238751990 YGQFZFBODRQEDM-AWEZNQCLSA-N 339.303 2.329 0 1 EEAF CC(=O)Nc1nc(CCc2ccc(NC3=NCCN3)cc2)cs1 95581768 DGERYLFWNQNCED-UHFFFAOYSA-N 329.429 2.258 0 1 EEAF Nc1cc(NCCNc2ccnc3cc(Cl)ccc23)nc(N)n1 95596569 JOUMMFGRADYBQF-UHFFFAOYSA-N 329.795 2.367 0 1 EEAF Cc1cc(C)nc(NC(=S)N2CCN(c3cncnc3)CC2)c1 95571356 LCYVBCKJYVVBAY-UHFFFAOYSA-N 328.445 2.007 0 1 EEAF CNc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1 653768406 HFNKEYSOOSBXSY-UHFFFAOYSA-N 335.327 2.073 0 1 EEAF C[C@@H]1CC(=O)N([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O 653840702 NIXPNZQHWHBWHF-RKDXNWHRSA-N 328.290 2.427 0 1 EEAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587095293 ZYJONIGENAZWNY-BYPYZUCNSA-N 341.215 2.453 0 1 EEAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586908697 CQYZYOBKHKLQBL-WFASDCNBSA-N 337.445 2.486 0 1 EEAF COC(=O)C(=O)C[C@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587399773 MAAVEAWMMVENON-SFHVURJKSA-N 333.384 2.460 0 1 EEAF CC(=O)O[C@H](C(=O)NCc1nc(C)c(C)nc1C)c1ccccc1 59111693 PCZJISFNQBEFDX-KRWDZBQOSA-N 327.384 2.322 0 1 EEAF CC[C@@H](C(=O)NC(C)C)n1nc(C)n2c(cc3sccc32)c1=O 5108434 OWSVDTAMGHNPQJ-NSHDSACASA-N 332.429 2.495 0 1 EEAF O=c1oc2cccnc2n1CCCN1CCN(c2ccccc2)CC1 5162411 MKTFZEHFTCMQCU-UHFFFAOYSA-N 338.411 2.202 0 1 EEAF O=C(O)[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)c1ccccc1 13807339 HPKYTRFCSRXETB-CABCVRRESA-N 342.399 2.409 0 1 EEAF COc1c2c(c(O)c3c1C(=O)C1=C(C3=O)[C@H](C)O[C@@H](C)C1)OCO2 14827934 XMTMJWRDSFDUBF-BQBZGAKWSA-N 332.308 2.002 0 1 EEAF biogenic CN(C)C1=N[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)NC(=N)N1 1857755661 HOSAXJJMFZPNDI-INIZCTEOSA-N 341.390 2.448 0 1 EEAF O[C@H]1C[C@H](O)[C@@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]12 27894620 MORPIEPGKNRPKN-IECFSIQFSA-N 334.412 2.142 0 1 EEAF C[C@@H]1CN(C(=O)CCC(=O)NCc2ccco2)c2ccccc2O1 20466204 JQWOQYPWGDOCOK-CYBMUJFWSA-N 328.368 2.490 0 1 EEAF O=C1C[C@H]2[C@H](c3cccc(O)c31)[C@H]1c3cccc(O)c3C(=O)[C@H]2[C@@H]1O 2356493073 JGTRUZSFUZQJBG-XDNJYWTLSA-N 336.343 2.355 0 1 EEAF CC1=C[C@H]([C@H](O)C(C)=CCOc2ccc3ccc(=O)oc3c2)OC1=O 2356568323 JYYSLADUUKHTSY-SJLPKXTDSA-N 342.347 2.351 0 1 EEAF CCOC(=O)c1cc(=O)c2c(OC)c3c(cc2o1)O[C@H](C(C)(C)O)C3 2356653142 CHXGEXUSMGVBKI-AWEZNQCLSA-N 348.351 2.053 0 1 EEAF COC(=O)C(C)=C1C(=O)O[C@]2(C)[C@@H]3C[C@@H]3C(C)(C)[C@@H]2[C@H]1OC(C)=O 2356708524 SGOTZEIKTUEQEA-ZFTPBESFSA-N 336.384 2.015 0 1 EEAF COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2OC(C)=O)cc1 14728230 XSDXQNVJNSCZNC-ZWKOTPCHSA-N 344.319 2.355 0 1 EEAF biogenic Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(O)cc2-3)on1 48999217 QWNIEEVMYAZTBJ-UHFFFAOYSA-N 348.366 2.394 0 1 EEAF CC(=O)N[C@H]1CCN(c2ncc(C)c(NCc3ccc(C)cc3)n2)C1 82203492 VGDHOCCCCIEBJN-KRWDZBQOSA-N 339.443 2.420 0 1 EEAF CNC(=N)NC[C@]1(C)[C@@H]2CC[C@@H](C)[C@]13C[C@H](COC)C(C(=O)O)=C3C2 85549035 TXOWICKHJZONHF-XTBHHOAESA-N 349.475 2.220 0 1 EEAF biogenic,in-vitro CCCCNC(=O)C(=O)NCCNc1ccnc2cc(Cl)ccc12 45340023 FUCBTUXUFQIZMG-UHFFFAOYSA-N 348.834 2.333 0 1 EEAF Cc1ncc(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)c(CC2CC2)n1 95580106 VVKAWGAZJLUMCB-QHTTYSEESA-N 341.455 2.407 0 1 EEAF COc1nc(N2CC(F)(F)C2)nc(OC)c1NC(=O)CC(C)(C)C 473111263 ADUWFEHREZRCTH-UHFFFAOYSA-N 344.362 2.324 0 1 EEAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587163420 LCYXLFVRDBRGQR-OAHLLOKOSA-N 348.403 2.000 0 1 EEAF COc1cc(Cl)cc(C=O)c1OCc1nc2cnnc(O)c2[nH]1 587066431 BQMDTUWNLXZSNB-UHFFFAOYSA-N 334.719 2.112 0 1 EEAF N=c1[nH]c2nc(-c3ccnc(OCC(F)(F)F)c3)nc-2c(Cl)[nH]1 587092717 ZGWGEQBFVBQOMK-UHFFFAOYSA-N 344.684 2.374 0 1 EEAF CN(C)CCOC(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2 169318612 ZNQUUYABKUCMIZ-UHFFFAOYSA-N 339.391 2.457 0 1 EEAF CCC[C@@H]1CC2=C(OCC=N2)[C@@]2(NC(=O)CC(=O)O)C=CCC[C@@H]12 169692897 BSBXGNLUQCQTGK-FHSNZYRGSA-N 332.400 2.415 0 1 EEAF COc1cccc([C@@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@@H]32)c1OC 1857590458 PYSZPPLIRBHCRY-KGLIPLIRSA-N 327.340 2.126 0 1 EEAF Cc1[nH]c(=O)nc2c1[C@H](NCCCN(C)C)c1cc(Cl)ccc1N2 1634541 ACJQTXHGUPKZIV-OAHLLOKOSA-N 347.850 2.419 0 1 EEAF COc1ccc(Sc2ccc3nc(N)nc(N)c3n2)cc1OC 3814943 CWOCTKXQFPYUJK-UHFFFAOYSA-N 329.385 2.358 0 1 EEAF O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055221 QVXUZKYOAVVAGX-ZFWWWQNUSA-N 334.759 2.133 0 1 EEAF Cc1cc2c(cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C)OCC(=O)N2 6873784 UCEFRFRCAYGGMC-PWSUYJOCSA-N 338.429 2.183 0 3 EEAF CC1(C)[C@H](O)CC[C@@]2(C)C3=CC[C@](C)([C@H](O)CO)C[C@@H]3[C@H](O)C[C@@H]12 2356806400 AGLNNHMUZJAUFJ-DNXLOVSSSA-N 338.488 2.250 0 1 EEAF Cc1nc(N(C)C(=O)c2ccc(C(=N)N)cc2)sc1CCC(=O)O 25981539 XLDVJVWIKCPJPM-UHFFFAOYSA-N 346.412 2.029 0 1 EEAF COc1cc(/C=C(/C(=O)O)c2ccc(S(C)(=O)=O)cc2)ccc1O 66079594 ZJZIUVHNFBMOLK-NTEUORMPSA-N 348.376 2.430 0 1 EEAF COc1ccc([C@@H]2c3ccc(O)cc3O[C@H]3NC(=O)NC(=N)[C@@H]32)cc1 64454172 JOCZQSNNSSPRJD-HLLBOEOZSA-N 339.351 2.157 0 1 EEAF Nc1nc(N2CCNCC2)c2oc3cccc(C(F)(F)F)c3c2n1 73195764 HDWGNZSHRFNVHN-UHFFFAOYSA-N 337.305 2.387 0 1 EEAF CNCc1cc(-c2ccc3c(N)cc4n[nH]c(=O)n4c3c2)cs1 84603666 BTOFBNDATQTFJU-UHFFFAOYSA-N 325.397 2.206 0 1 EEAF CC(=O)Nc1ncc2c(n1)CC[C@H](NC(=O)c1cc3ccccc3[nH]1)C2 473088628 IXVNUUMIXBNYRN-AWEZNQCLSA-N 349.394 2.204 0 1 EEAF CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439961 FAIYYFQMRJKVTO-FCCGEIHDSA-N 328.364 2.401 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1ccc(N(C)CCO)nc1)[C@@H](C2)C3=O 587427723 FRNLVCCJQFLIMP-IFXJQAMLSA-N 340.379 2.007 0 1 EEAF COc1ccc2c(c1)NC(=O)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440012 NIEOMKAHFJRNQI-YJYMSZOUSA-N 337.331 2.299 0 1 EEAF CC(=O)N1C[C@@H]2Cc3cc4c(O)nc(O)nc4nc3-c3cccc1c32 587558325 QNPLKMZONJZVTM-JTQLQIEISA-N 334.335 2.109 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@](CC(=O)C(F)F)(C1CC1)NCC2 962935133 YMBHQYQGGSFQMQ-SFHVURJKSA-N 336.382 2.364 0 1 EEAF Cc1nc(C(=O)NNC(=O)c2cccc(Br)c2)cs1 80965573 WOSUWXOQTIFQTI-UHFFFAOYSA-N 340.202 2.289 0 1 EEAF COc1ccc(-c2nc(N)c(Cc3ccccc3F)c(N)n2)nc1 116191528 OBHKXFHJUZQHPR-UHFFFAOYSA-N 325.347 2.442 0 1 EEAF COC(=O)C(C(=O)OC)[C@H]1c2ccccc2C=C(C)N1C(=O)OC 13817680 OOPQFRVEFFZVSY-CQSZACIVSA-N 333.340 2.133 0 1 EEAF CCN(C(=O)c1ccc2c(c1)S(=O)(=O)NCN2C)c1ccccc1 169325237 FZZXVTZCGUESRU-UHFFFAOYSA-N 345.424 2.039 0 1 EEAF CCCCCCN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(C2CC2)n1 2356365494 MZDZAWBRZFJJKT-MANSERQUSA-N 347.503 2.424 0 1 EEAF O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4206702 IWGLQSKXOKYIAH-HIFRSBDPSA-N 334.759 2.133 0 1 EEAF O=C(c1nc(-c2cccnc2)no1)N1CCC(N2CCCCC2)CC1 6841813 KPNZQMUSMHOZGQ-UHFFFAOYSA-N 341.415 2.222 0 1 EEAF CN1C(=O)[C@H](C(=O)Nc2ccccn2)[C@H]2C[C@@]1(C)Oc1ccccc12 102952249 FBASSRSUKFUAQB-IYJAJMOOSA-N 337.379 2.391 0 1 EEAF O=C1O[C@@H](CNc2ccon2)CN1c1ccc(-c2cn[nH]n2)c(F)c1 28818895 BXPKPXRNSKACKH-JTQLQIEISA-N 344.306 2.036 0 1 EEAF C[C@]1(O)CC[C@@]23C[C@H]1C[C@]2(O)CC[C@@H]1[C@](C)(CO)C[C@H](O)C[C@]13C 2356705812 FOCVEWGELGYRTJ-FLSWDFCDSA-N 338.488 2.228 0 1 EEAF OCc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1F 210733129 AKFLJDSVSOFZFA-UHFFFAOYSA-N 328.347 2.093 0 1 EEAF CCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O 34343070 NHGHSSSIIOPHJZ-ZDUSSCGKSA-N 336.432 2.186 0 1 EEAF CC(=O)O[C@H]1C(COC(=O)c2ccccc2)=CC=C[C@H]1OC(C)=O 14489398 QKUQVZOCGPQPCS-SJORKVTESA-N 330.336 2.203 0 1 EEAF biogenic OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCCCC4)ccnc32)C[C@H]1O 40688947 YKCUGFGVEQMOFA-OWCLPIDISA-N 346.431 2.207 0 1 EEAF C=CC(=O)N1CCC[C@@H](n2nc(-c3ccccc3)c3c(N)ncnc32)C1 148973465 FQHKBIFWCMDDDS-CQSZACIVSA-N 348.410 2.425 0 1 EEAF C[C@]1([C@H](O)CO)CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@H](O)[C@]3(C)CO)C1 238736777 LPKFXUXEIDWKHQ-GMEBVZIWSA-N 338.488 2.252 0 1 EEAF CCOC(=O)c1c(-c2cncn2C)[nH]c2ccc(S(C)(=O)=O)cc12 587650827 USVMLYJAYVBELK-UHFFFAOYSA-N 347.396 2.149 0 1 EEAF Oc1nncc2nc(CCNc3ccc(Br)cc3)[nH]c12 586995574 KTLGGVUVRWAWRZ-UHFFFAOYSA-N 334.177 2.476 0 1 EEAF CCCCNS(=O)(=O)c1ccc2nc(C[C@@H](C)N(C)C)[nH]c2c1 587191455 LXZRPLNVVXQXGM-GFCCVEGCSA-N 338.477 2.134 0 1 EEAF COC(=O)CC[C@H](N)c1nc2c(Br)cnc(Cl)c2[nH]1 587258378 JFIUFWPUBYCQLG-LURJTMIESA-N 347.600 2.327 0 1 EEAF OC[C@@H](O)[C@@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586889229 KBYSXAGAGQDCGD-UKRRQHHQSA-N 341.392 2.226 0 1 EEAF CN(C)c1nc2nonc2nc1N[C@H](c1ccccn1)C(F)(F)F 11936963 COUXLNTXCGRSQL-MRVPVSSYSA-N 339.281 2.189 0 1 EEAF CN1CCN(C(=O)c2cccc(-c3cc(F)c(O)c(C=O)c3)c2)CC1 169699682 QEEFWAFWXNPGMW-UHFFFAOYSA-N 342.370 2.398 0 1 EEAF N#CN1CC[C@@H](NS(=O)(=O)Nc2cccc(-c3ccccc3)c2)C1 1857564872 LEVHNWAKTUBRIB-QGZVFWFLSA-N 342.424 2.155 0 1 EEAF O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCC(=O)N1C1CCCCC1 219579 BRLKSZKYEADNBU-HNNXBMFYSA-N 344.411 2.355 0 3 EEAF CNC(=N)NC[C@]1(C)[C@H]2CC[C@@H](C)[C@@]13C[C@@H](COC)C(C(=O)O)=C3C2 2356357558 TXOWICKHJZONHF-BCWWHNERSA-N 349.475 2.220 0 1 EEAF CC(=CC=C[C@H](C)C=CCC(C)C)[C@H]1[C@H](O)[C@H](O)C(CO)=C[C@H]1O 2356452476 RLFDVGHDISQUKQ-CBFGRJNTSA-N 336.472 2.359 0 1 EEAF CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)O 28566114 PQTZCOOFMGZHKK-MRXNPFEDSA-N 349.408 2.447 0 1 EEAF CN(C)c1ncnc2c1nc(Br)n2Cc1cccc(N)c1 29564333 RQJBTKLCJBPAJZ-UHFFFAOYSA-N 347.220 2.285 0 1 EEAF O=C(O)C[C@H]1CCN(CC2CC2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356495394 QPKUFWUKOZITLU-KGLIPLIRSA-N 328.416 2.323 0 1 EEAF C[C@]12CC=C3NC(=O)C=C3[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 2356528873 LFQHFBNBQFFFGO-DVTMSNFFSA-N 329.440 2.276 0 1 EEAF c1ccc(-c2cc(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncn2)cc1 114086555 WVNOFRZQUMORMI-IBGZPJMESA-N 335.411 2.406 0 1 EEAF Nc1nc(N)c2c(Cl)c(S(=O)(=O)c3ccccc3)ccc2n1 32224379 LUJGCEPJHUUVSI-UHFFFAOYSA-N 334.788 2.280 0 1 EEAF Cc1cc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc(N)n1 40392679 NFSSZVSDLVTFCY-UHFFFAOYSA-N 340.383 2.116 0 1 EEAF CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1 95561012 JRBHYYCQSBKRFU-UHFFFAOYSA-N 347.444 2.467 0 1 EEAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC(=O)[C@H]1[C@@H]2C[C@@H]2C[C@H]1C(=O)O2 238774304 FJCWYLRNGKSUCH-WJHUYBCGSA-N 344.363 2.431 0 1 EEAF CCCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cocn1 95894512 DJJJRMTZLLUIKB-YQVWRLOYSA-N 341.411 2.150 0 1 EEAF c1cc(COC[C@@]23COC[C@@H]2CN(Cc2ccncc2)C3)ccn1 299843468 RZWSBCVXMRWRQH-OALUTQOASA-N 325.412 2.142 0 1 EEAF Cc1c(-c2nc3c(O)nc(N)nc3[nH]2)cnn1-c1ccc(Cl)cc1 587076622 XXAYJPALBFWEJD-UHFFFAOYSA-N 341.762 2.455 0 1 EEAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(O)ncnc2[nH]1 587078966 DTCKPKKMUCLTCA-SNVBAGLBSA-N 328.763 2.436 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Br)cnc1N)O2 587371309 FJGUBCHHYKQRBW-JTQLQIEISA-N 349.188 2.418 0 1 EEAF CN1CCc2cn(C)nc2[C@]1(C)c1cnn(-c2ccccc2)c1F 963955565 QKQHNSJKGRSNKV-SFHVURJKSA-N 325.391 2.496 0 1 EEAF COC(=O)Nc1noc2cc(-c3c(C(=O)OC)n[nH]c3C)ccc12 1772651853 OWLHGRZFVWMBEO-UHFFFAOYSA-N 330.300 2.491 0 1 EEAF COc1ccc2c(c1)c(C1=NC[C@]3(CN4CCC3CC4)O1)cn2C 13451796 XBJQFOHLTDAODN-LJQANCHMSA-N 325.412 2.428 0 1 EEAF O=S1(=O)COC[C@H](COCc2ccccc2)N1Cc1ccccc1 58583579 PBRDMWBXTSTXCQ-SFHVURJKSA-N 347.436 2.392 0 1 EEAF Cc1cc(=O)n(CC(=O)N[C@@H](C)c2ccccc2)c2c1c(C)nn2C 8603818 WYGPNQKBNSZNBA-ZDUSSCGKSA-N 338.411 2.229 0 1 EEAF NC1=NN=C(N)C1[C@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 53166932 FYGHCZQNDKHGLR-AWEZNQCLSA-N 334.379 2.018 0 1 EEAF CCc1ccc2c(c1)=C(c1ccncc1)NN=C(c1ccccc1)N=2 103853661 ZKOPWJWSKUSRQX-UHFFFAOYSA-N 326.403 2.385 0 3 EEAF CC(C)n1c(=O)n(C(=O)NC2C[C@H]3CC[C@H](C2)N3)c2ccccc21 101633438 WRUHWXYQMLEWKR-CHWSQXEVSA-N 328.416 2.225 0 1 EEAF CCN1CCN(c2ncc(C)c(NCCOc3ccccc3)n2)CC1 82202401 WRUMTDUYAOPBMS-UHFFFAOYSA-N 341.459 2.418 0 1 EEAF CCNC(=O)c1ccc(-c2cccc(CN(C)C(=O)CN)c2)cc1 142795033 FMSQYGMIVSUUGQ-UHFFFAOYSA-N 325.412 2.020 0 1 EEAF CN(Cc1ccco1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 96927688 LVXHTTUECVZPQW-QGZVFWFLSA-N 348.353 2.169 0 1 EEAF COc1cc2c3c(c1)O[C@H](Cn1c(=O)oc4ccccc41)[C@@H](C2)C3=O 587436433 QSVTYMADEQCJNA-MLGOLLRUSA-N 337.331 2.419 0 1 EEAF Cn1ncnc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584296 ZHUAPDQPXTXVHS-RDTXWAMCSA-N 337.335 2.398 0 1 EEAF COC(=O)c1cccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c12 586960415 BTKOUDVKQPAVFD-ZETCQYMHSA-N 345.384 2.281 0 1 EEAF CCOc1n[nH]c(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1Cl 587065207 MKYWMWSHRASMBY-UHFFFAOYSA-N 340.792 2.409 0 1 EEAF C[C@@]1(c2ccnc(N)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577549 SOABKFNTJISYHG-KXBFYZLASA-N 349.346 2.641 0 1 EEAF CN(C)C(=O)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 586970032 SLCXIIPSYINQCB-UHFFFAOYSA-N 328.397 2.190 0 1 EEAF CC1(C)C2=CC[C@H]3C[C@@](C)([C@@H](O)CO)CC[C@]3(C)[C@H]2C[C@@H](O)[C@H]1O 14688214 QPLXPTUEQLEOGR-KMTFSWQUSA-N 338.488 2.250 0 1 EEAF CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@H](O)CN1CCCCCC1)C2=O 4899294 HVUSCPODFBEQJZ-ZRGWGRIASA-N 336.476 2.035 0 3 EEAF C[C@@H]1CCCC[C@H]1NC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O 6732951 ODDIECAGMQFRTG-VXGBXAGGSA-N 349.456 2.226 0 1 EEAF COC(=O)COC(=O)Cc1ccc2c(c1)C(=O)c1sccc1CO2 27208872 YSVSOWWBDXMGQQ-UHFFFAOYSA-N 346.360 2.130 0 1 EEAF C[C@@H]1CN2C(=O)c3c(ncn3C)N(Cc3ccc(Cl)cc3)C2=N1 28222532 JQEPRBCRAYHLKI-SNVBAGLBSA-N 329.791 2.294 0 1 EEAF C[C@H](NC(=O)C1CCOCC1)c1onc(-c2cccnc2)c1C(=O)O 2356501247 SEFRDTJIGANCFW-JTQLQIEISA-N 345.355 2.039 0 1 EEAF C[C@@H]1C[C@H](O)CC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1 2356508651 MCIYWNAGEOPYMI-RISCZKNCSA-N 336.384 2.470 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45C(=O)[C@@H]3[C@H]1C[C@H]2[C@@H]4N(C)c1cc(OC)ccc15 2356635809 LEHVAVBEMNLCAM-WOUBLJFOSA-N 336.435 2.373 0 1 EEAF O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NCc3ccco3)CO[C@H]12 4236464 URTCHLZDIUKCQC-YLFCFFPRSA-N 344.367 2.153 0 1 EEAF biogenic COc1cc(CO)c(-c2cc3c(cc2CO)OCO3)c(OC)c1OC 40918704 DAUCBFJTANOGNJ-UHFFFAOYSA-N 348.351 2.093 0 1 EEAF COc1ccc(F)cc1-c1cccc(-c2nn(CCO)c(=O)o2)c1 98082224 JFWKLCHWMJIUDV-UHFFFAOYSA-N 330.315 2.310 0 1 EEAF CN(C)S(=O)(=O)c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 586896821 YYPFYGBFZZNFMZ-UHFFFAOYSA-N 345.424 2.304 0 1 EEAF Cc1cncc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c12 586932262 YLPSSXMNUOVNDS-UHFFFAOYSA-N 346.412 2.096 0 1 EEAF COC(=O)CC[C@H](N)c1nc2cc(Br)cc(F)c2[nH]1 587260376 UWXOLIROQFZVLO-QMMMGPOBSA-N 330.157 2.418 0 1 EEAF CCCCCCN1C=N[C@@H]2C(=O)NC(Cc3ccc(OC)cc3)=N[C@H]21 1857613660 DGXPTBNZMJWUOG-ROUUACIJSA-N 342.443 2.385 0 1 EEAF CC(CO)(CO)C(=O)Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 221458670 GRMXEIANVBVANH-NSCUHMNNSA-N 344.363 2.165 0 1 EEAF O=C(Nc1ccc(F)cc1F)c1cc(=O)n(-c2ccccc2)c(=O)[nH]1 101763659 ZNXXZZLXZWZWAL-UHFFFAOYSA-N 343.289 2.056 0 3 EEAF N=C(N)Nc1nnc(-c2ccccc2I)s1 28000580 MDTGJTMQYHIESH-UHFFFAOYSA-N 345.169 2.115 0 1 EEAF Cn1ncc(NC(=O)c2ccccc2)c1N1CC[C@H](N)CC(F)(F)C1 473135255 GVCYKIHDMARANO-ZDUSSCGKSA-N 349.385 2.235 0 1 EEAF O=C(c1ccncc1)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 299842208 LROYFULYDRDHGY-WMZOPIPTSA-N 341.386 2.198 0 1 EEAF COc1cc([C@@H]2Oc3ccc(CCCO)cc3O[C@H]2CO)ccc1O 36416654 CYLVTAFKOSKXKE-OALUTQOASA-N 346.379 2.199 0 1 EEAF biogenic COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccnn1C)[C@@H](C2)C3=O 587433206 WGVNXBKTEKCBKM-SEQHEZFFSA-N 339.395 2.147 0 1 EEAF CCCc1c(O)ccc2c1OC1(CCN(CC(=O)OC)CC1)CC2=O 587474337 FFPCBSFJXMTWEN-UHFFFAOYSA-N 347.411 2.318 0 1 EEAF O=C1N(CCCO)C(=S)NC1(c1ccccc1)c1ccccc1 13642215 LCLCJCBHSSCTCJ-UHFFFAOYSA-N 326.421 2.029 0 1 EEAF CCC(=O)N1CC(C(=O)NCCc2cccc3ccc(OC)cc23)C1 169351165 RMXHPNVFNPVUQN-UHFFFAOYSA-N 340.423 2.376 0 1 EEAF Oc1ccc(C[C@@H](O)CN2CCC(O)(Cc3ccccc3)CC2)cc1 26261781 QBGJXSOFTRVLIT-HXUWFJFHSA-N 341.451 2.365 0 1 EEAF O[C@H]1C[C@@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1OCc1ccccc1 27894608 MORPIEPGKNRPKN-OBVSXPTNSA-N 334.412 2.142 0 1 EEAF CCOC(=O)c1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2 45246001 PPAPIXRCRCPGPU-UHFFFAOYSA-N 329.747 2.323 0 1 EEAF CC(C)NC(=O)N(C)C[C@H]1Oc2ccccc2CC(=O)N(C)C[C@H]1C 95660938 TVFIGDKMDDMYKO-RHSMWYFYSA-N 347.459 2.134 0 1 EEAF COc1cncc(-c2cccc(C3=N[C@@H]4C(C(N)=O)=CC=C[C@H]4O3)c2)c1 96916078 LGKFXIVQPPUYCN-QZTJIDSGSA-N 347.374 2.253 0 1 EEAF C=CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 618017308 IYGJYQPHPCOKCE-UHFFFAOYSA-N 349.239 2.225 0 1 EEAF COc1ccc(Oc2nn3c(C(N)=O)nnc3c3ccccc23)cc1 653709689 JBZXYTIYONUMLG-UHFFFAOYSA-N 335.323 2.177 0 1 EEAF O=C1CSC[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)N1 587042300 DEBHJPLLBGWBCS-ZETCQYMHSA-N 330.182 2.369 0 1 EEAF CCS(=O)(=O)c1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1 586890492 KFNJKDLANLGASO-HNNXBMFYSA-N 332.381 2.144 0 1 EEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(F)c(F)c(F)c2[nH]1 587202018 ALVWCXYPERHIDD-VIFPVBQESA-N 342.321 2.059 0 1 EEAF Nc1ncnc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 587081528 BODJGEOFWPELMA-UHFFFAOYSA-N 341.762 2.489 0 1 EEAF O=C1NC(=S)N2C(=O)[C@@H]3Nc4cc(Cl)cc(Cl)c4[C@H]3C=C12 1772608000 XUIHLAZYWIQDIJ-GPXNAGAYSA-N 340.191 2.012 0 1 EEAF C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccco1)OC2=O 5528453 SRWVDIYIPNHTQO-OPXHCLDYSA-N 344.363 2.287 0 1 EEAF biogenic O=C1CN(c2csc(-c3ccccc3)c2Cl)S(=O)(=O)N1 16052256 LCPRWBWCEGWNKF-UHFFFAOYSA-N 328.802 2.250 0 1 EEAF in-vivo CCN1CNS(=O)(=O)c2cc(C(=O)OCc3ccccc3)ccc21 169325229 HBTFLRWUNVXUHY-UHFFFAOYSA-N 346.408 2.119 0 1 EEAF Cc1c(-c2nc3c(C(N)=O)cc(F)cc3[nH]2)sc2c1CCNC2 1857652722 JDXLMISSSMZOIL-UHFFFAOYSA-N 330.388 2.484 0 1 EEAF O=C(N1CCOCC1)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 1364557 FDCXOWUTWXHGJB-GFCCVEGCSA-N 348.428 2.430 0 3 EEAF CC(C)N1CCN2[C@@H](CN(C(=O)c3ccccc3F)CC2(C)C)C1 2356303036 KIVSLYAEFWMYGE-OAHLLOKOSA-N 333.451 2.455 0 1 EEAF C[C@]12CCC(=O)[C@@](C)(CO)[C@@H]1CC[C@]13C(=O)[C@@H]4[C@@H](C[C@H]21)[C@]4(C)C3=O 101494061 OSPJXUMTYQEFCO-SIBAZLEUSA-N 330.424 2.175 0 1 EEAF CCn1c(=O)n(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100310027 JJZXGTBGAPUCHC-STQMWFEESA-N 329.400 2.433 0 1 EEAF O=C1OCC2=C1[C@H](c1cc(Br)ccc1O)c1cn[nH]c1N2 71281134 UDSXRNXHTOYPNO-LLVKDONJSA-N 348.156 2.246 0 1 EEAF CC[C@]12CCCN3CC[C@]4(c5ccccc5N(C=O)[C@@H]4[C@@H](O)C1)[C@@H]32 14717508 VWBHBFJRXIASHC-LJDSDSDDSA-N 326.440 2.299 0 1 EEAF biogenic O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)[C@@H]1COCC[C@H]1N=C2 140078862 PHYVZWNIDCNYML-CHWSQXEVSA-N 335.310 2.072 0 1 EEAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ncccn2)n1 142129079 PMPXTMSUCDRGCA-VXGBXAGGSA-N 328.376 2.421 0 1 EEAF COc1ccc(-c2cc(NC(=O)CCCN3CCOCC3)[nH]n2)cc1 95578075 NBIZFEZAYLVEGQ-UHFFFAOYSA-N 344.415 2.136 0 1 EEAF CN(C)Cc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)o1 587652621 WXMJSMDXOBRRTI-UHFFFAOYSA-N 331.759 2.393 0 1 EEAF CNc1nccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587581003 UOQRHDNSGPIGCB-CRAIPNDOSA-N 349.346 2.927 0 1 EEAF Cc1cc(C)cc(OCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587564323 IVLVKRATHFANRF-UHFFFAOYSA-N 331.397 2.406 0 1 EEAF COc1ccc(OC)c(-c2nc3ccc(C(N)=O)cc3[nH]2)c1OC 587927709 SUPLWRWZXIMJCR-UHFFFAOYSA-N 327.340 2.355 0 1 EEAF CN1CCc2cnn(C)c2[C@]1(c1ccccc1)c1ccc(N)c(N)c1 963953709 CONOPRLOIJDDHE-FQEVSTJZSA-N 333.439 2.364 0 1 EEAF CCOC(=O)CCC[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963527729 QJFOIYYGWGJPLT-SCLBCKFNSA-N 335.400 2.248 0 1 EEAF COc1ccccc1Cn1cc2c(=O)n(C)c(=O)n(CC(C)C)c2c1 13603237 MPEFWLRMSCIOEQ-UHFFFAOYSA-N 341.411 2.215 0 1 EEAF COc1ccc2c3c1O[C@H]1C=C([C@@H](C)O)C[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169364842 QWIOCLNAHOMHPC-YJLHKZLFSA-N 327.424 2.281 0 1 EEAF Nc1nc(-c2nccs2)c2nnn(Cc3ccccc3F)c2n1 33993508 IZQQVCLSEFCBFN-UHFFFAOYSA-N 327.348 2.114 0 1 EEAF O=c1[nH]c2ncc(-c3ccc(O)cc3)nc2n1Cc1cccc(O)c1 73198071 LWGQEZVIXTYISH-UHFFFAOYSA-N 334.335 2.246 0 1 EEAF CC(C)NC[C@@H](O)COc1ccc(Br)cc1/C=C/CO 40640027 ATMFIAWMMQFHLB-RDFMZFSFSA-N 344.249 2.192 0 1 EEAF CC(=O)NC[C@H]1CN(c2cc3c(cc2F)C(=O)CCCC3)C(=O)O1 40576647 IHRFFQONCHXECJ-LBPRGKRZSA-N 334.347 2.196 0 1 EEAF CCC[C@@H](N)[P@](=O)(O)C(=S)NCc1ccccc1C(=O)OC 49067420 SAOFAZQPWFNPRB-LBPRGKRZSA-N 344.373 2.203 0 1 EEAF COc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@@H](C)CN3)cc1 82211358 CODJKDCJVQKOBQ-LBPRGKRZSA-N 344.415 2.198 0 1 EEAF Cc1cc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)CO3)ccn1 149405064 APHMMXANWQGNRL-IBGZPJMESA-N 337.379 2.006 0 1 EEAF CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@](C)([C@H](O)CO)C=C3[C@H](O)C[C@@H]12 238742795 BIPACBIPISLDRK-CTGXHRHHSA-N 338.488 2.250 0 1 EEAF O=S(=O)(C[C@H]1NCc2cc(F)ccc21)NCCc1ccccc1 96020250 KMKLIVGGOSIARC-QGZVFWFLSA-N 334.416 2.132 0 3 EEAF COc1c2c(cc3c1[C@H]1[C@H]4C(=CC[C@H]1OC3=O)CCN4C)OCO2 34582219 HRQKWQANALFRKZ-BYCMXARLSA-N 329.352 2.081 0 1 EEAF biogenic COc1cc2c3c(c1)O[C@]1(C=C(C)OC=C1OCC(=O)O)[C@@H](C2)C3=O 587456771 YACIZSQUZFJYCP-KPZWWZAWSA-N 344.319 2.058 0 1 EEAF Ic1ccc2nc(CC3OCCO3)[nH]c2c1 586908795 RJLBKWDUWQOWPH-UHFFFAOYSA-N 330.125 2.083 0 1 EEAF NS(=O)(=O)c1cccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 587089349 BJDBVLBIPZNGTF-MRVPVSSYSA-N 331.678 2.134 0 1 EEAF Cc1c(O)ccc2c1[C@@]1(CC[C@@H](N)c3ccccc31)N[C@H](C(=O)O)C2 963505958 DDCGGXNFKYPQPH-GUXCAODWSA-N 338.407 2.337 0 1 EEAF CCOC(=O)C1(CCOC)CCN(C(=O)Cc2ccsc2)CC1 12703431 KSJMBBDVAUECQU-UHFFFAOYSA-N 339.457 2.499 0 3 EEAF Cc1ccc(C)c(NC(=O)Nc2cc(S(N)(=O)=O)ccc2O)c1 1857774096 ITJAYNQSUKWUOO-UHFFFAOYSA-N 335.385 2.300 0 1 EEAF C=Cn1ccnc1[C@H]([C@@H](O)c1cc(OC)c(OC)c(OC)c1)N(C)C 377962 LWWOKJBXGOIIAV-HOTGVXAUSA-N 347.415 2.346 0 1 EEAF C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C[C@@H](C)N1 103284845 NCKOHVXJFRVSMV-TXEJJXNPSA-N 341.411 2.221 0 1 EEAF O=S(=O)(c1ccccc1)N1[C@H]2CC[C@H]1CC(O)(c1cccnc1)C2 101633165 RIMXGVCDWOSAPD-HOTGVXAUSA-N 344.436 2.285 0 3 EEAF N[C@@H](CC(=O)Nc1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)O 28527788 UMROIBNSBXKJGZ-AWEZNQCLSA-N 336.294 2.498 0 1 EEAF O=C1C[C@@]23CCCN4C[C@H]1[C@@]1(c5ccccc5N[C@]1(C(=O)O)CC2)[C@H]43 2356619839 VMYIEWNUGAYDHM-GQJWIHHCSA-N 338.407 2.021 0 1 EEAF NC1=N[C@H](c2ccco2)NC(NCCCOc2ccc(Cl)cc2)=N1 71296187 LTQUYUCHMJDPMX-AWEZNQCLSA-N 347.806 2.264 0 1 EEAF COc1ccc(-c2csc(NC(=O)CCN3CCOCC3)n2)cc1 40895477 IIEXYMJNNXQDKE-UHFFFAOYSA-N 347.440 2.480 0 1 EEAF CC[C@@H](C)CNc1nc(N2CCN(c3ncccn3)CC2)ncc1C 82203343 ILPUANFIWIYBDP-CQSZACIVSA-N 341.463 2.360 0 1 EEAF O=S(=O)(c1ccccc1)N1C[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C1 263590375 WGCLYCBATHNUSO-CVEARBPZSA-N 346.383 2.249 0 3 EEAF c1ccc2nc(N3CC(c4nccnc4N4CCOCC4)C3)ccc2c1 140188047 MWDAIDVTLLNFFF-UHFFFAOYSA-N 347.422 2.465 0 1 EEAF COc1ccc(OC)n1-c1cc(C(=O)O)ncc1Br 587941346 OCVGPMYNWWMWOJ-UHFFFAOYSA-N 327.134 2.350 0 1 EEAF CCOC(=O)C[C@]1(CN2CCCC2)CC(=O)c2cc(C)cc(N)c2O1 587396936 XMRFTVSBZSRPCX-IBGZPJMESA-N 346.427 2.330 0 1 EEAF Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2nc(Nc3ccccc3)ncc21 1857556514 HGNNONNHILOHLR-HDJSIYSDSA-N 339.399 2.350 0 1 EEAF Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C[C@H]1CCCN1 8581940 IBSCAHNKEHRFKF-SNVBAGLBSA-N 344.806 2.187 0 1 EEAF CCCNC(=O)[C@@]1(C)CCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 61907200 ADSRHRVFHXGMNQ-SFHVURJKSA-N 334.464 2.325 0 3 EEAF Cn1cc(-c2cccc(Cl)c2)c(C(=O)NCC2CCNCC2)n1 49109362 MFZWEBMQYPNXGC-UHFFFAOYSA-N 332.835 2.470 0 1 EEAF O=c1c(Br)cc(Br)c2n1C[C@H]1CNC[C@@H]2C1 26181349 UIRFWXCFBPYLDL-RQJHMYQMSA-N 348.038 2.080 0 1 EEAF O=C1N[C@@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]12 28654873 RADKAGRBIKGFHM-HKUYNNGSSA-N 345.402 2.162 0 1 EEAF CCc1c(C)[nH]c(=O)c(NC(=O)CN)c1Cc1cc(C)cc(C)c1 27315135 LNFMPUYURARDSU-UHFFFAOYSA-N 327.428 2.351 0 1 EEAF Cn1ncc2cc(-c3cc(=O)n4ncc(-c5ncco5)c4[nH]3)ccc21 142677912 OQQXWEMKBUBLPX-UHFFFAOYSA-N 332.323 2.231 0 1 EEAF CCOC(=O)c1c(C)[nH]c2ccc(OCCCN3CCNCC3)cc12 653720453 JMAUGTUWQLGUTH-UHFFFAOYSA-N 345.443 2.327 0 1 EEAF COC(=O)c1ccc2[nH]c3nc(N)nc(N4CCCCC4)c3c2c1 653679920 SKVGFVZDRLZIEY-UHFFFAOYSA-N 325.372 2.470 0 1 EEAF CC(C)(C)OC(=O)NC1(c2nc3ccnc(N)c3[nH]2)CCC(O)CC1 587237841 ZNNJSERIHWNEOF-UHFFFAOYSA-N 347.419 2.195 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1ccn(C)n1)O2 587391429 MLDYHNKYAIHKCM-POZKEBTKSA-N 326.400 2.247 0 1 EEAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c[nH]c(=N)[nH]c-2n1 587201508 PGKFHBJHUDKGGZ-UHFFFAOYSA-N 334.424 2.298 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(C1CCS(=O)(=O)CC1)[C@@H](C2)C3=O 587454017 VWYKVYYSHVCHGG-SUMWQHHRSA-N 336.409 2.026 0 1 EEAF O=S(=O)(O)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 587039282 CCZJNBJJPQXZTP-UHFFFAOYSA-N 334.382 2.110 0 1 EEAF COc1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2n1 587227915 CPLIUMJFLLGTOJ-UHFFFAOYSA-N 326.356 2.435 0 1 EEAF Cc1cc(C)cc(OCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 587565121 XCUSKFFBMPXURW-UHFFFAOYSA-N 331.397 2.406 0 1 EEAF Nc1c(-c2nc3ccccc3s2)c(O)cn1CCN1CCOCC1 958064275 ACCKANHAUVLVNF-UHFFFAOYSA-N 344.440 2.385 0 1 EEAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3NC[C@H]2O)OCO4 14612207 FQGXOUZHUXOCIV-QWHCGFSZSA-N 341.363 2.333 0 1 EEAF endogenous,in-man CC(=O)O[C@H](C)[C@@H](/C=C1/C=C(C)C2=NCC[C@@H]3O[C@@]213)OC(=O)C(C)C 5497463 MRUZXUQKRAPYFF-CATJFFLESA-N 347.411 2.374 0 1 EEAF in-vitro CC(C)[C@H](C)N=c1nc(-c2cccc(N)n2)[nH]c(=N[C@@H](C)C(C)C)[nH]1 1857766238 AZFYXQQKGDXNAX-STQMWFEESA-N 343.479 2.272 0 1 EEAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCCC1)c1ccco1 2356297999 KLPQGPVUDBILFY-BRWVUGGUSA-N 331.460 2.206 0 1 EEAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc(OC)cc1 2356298519 IUKLUPVZGJSCJN-ILXRZTDVSA-N 338.473 2.094 0 1 EEAF Cc1cccc(CN2C[C@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)n1 2356302532 XUZSZPBMXOGATR-GOEBONIOSA-N 341.390 2.400 0 1 EEAF CC(=O)N1C[C@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C(C)(C)C1 2356386366 GTABZUAWULXXNB-MRXNPFEDSA-N 349.862 2.107 0 1 EEAF COc1ccc([C@H](CN(CCO)CCO)c2ccccc2)cc1OC 26007718 XOEOBVVYVPWPJB-GOSISDBHSA-N 345.439 2.122 0 1 EEAF CSc1nc(CCO)cc(N2CCN(c3ccc(F)cc3)CC2)n1 28653419 UOIXUTBXVSMPQA-UHFFFAOYSA-N 348.447 2.199 0 1 EEAF COc1ccc([C@@H](c2ccccc2)[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1 27525065 IMNYRWWSHQSULZ-MTQWCTHYSA-N 341.407 2.092 0 1 EEAF Cc1cccnc1CN1C[C@@H](F)[C@H](OCc2nc3cccnc3[nH]2)C1 2356678312 AGYSIGVVNHEYOY-CZUORRHYSA-N 341.390 2.400 0 1 EEAF COC(=O)/C=C1\OC(=O)C(c2ccc(Br)cc2)=C1O 64426680 JRUHTSCNJYOHOG-TWGQIWQCSA-N 325.114 2.332 0 1 EEAF COc1ccc(CC(=O)N2CCc3cccc4c3[C@H]2CNC4=O)cc1 45349683 PIIUYWVRMAZNBP-QGZVFWFLSA-N 336.391 2.107 0 1 EEAF C[C@H]1CC(=O)N([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O 653840695 MMNCRRILEXDEAT-DTWKUNHWSA-N 328.290 2.427 0 1 EEAF Oc1nc(O)c2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2n1 587006307 DLDLUALWWAYZGP-UHFFFAOYSA-N 347.132 2.070 0 1 EEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(CCO)cc2[nH]1 586960962 DSHLBXNDCPBRFY-QMMMGPOBSA-N 331.401 2.029 0 1 EEAF COc1cccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c12 586951163 JSJYAJYQKVQGSH-UHFFFAOYSA-N 338.414 2.375 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1ccc(C(=O)O)o1)NCC2 962934227 WMMOFTYTPQDORS-GOSISDBHSA-N 328.368 2.089 0 1 EEAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(Cl)nc3N)c3cccc1c32 963031568 REJZQVKWPUUEKS-XXFAHNHDSA-N 328.803 2.460 0 1 EEAF CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1 13147305 HMSXRNYJSFFICP-QKPAOTATSA-N 344.521 2.379 0 1 EEAF O=S1(=O)CCOCCCN1Cc1ccccc1Br 15937282 NTILXVDVIOHESN-UHFFFAOYSA-N 334.235 2.001 0 3 EEAF COCCOC(=O)[C@@H]1C(C)=Nc2nc(C)nn2[C@@H]1c1ccc(F)cc1 169686639 KWIXIUXLARHTGY-HUUCEWRRSA-N 346.362 2.227 0 1 EEAF COc1ccc([C@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@@H]32)cc1OC 1857612351 STYQXJWXWGSXLK-GJZGRUSLSA-N 327.340 2.126 0 1 EEAF Cc1c(-c2nn(C)c3nc(OCc4ccccn4)cnc23)cnn1C 103262421 MXYXLYAPGNYCAH-UHFFFAOYSA-N 335.371 2.046 0 1 EEAF CCCn1c(O[C@H]2CCOC2)nc2nc(C3CCCC3)[nH]c2c1=O 117384665 HGBALQZFPNYGFN-LBPRGKRZSA-N 332.404 2.355 0 1 EEAF C[C@@H](c1ccc(Br)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 53287666 ZHNBEQRHEJAAIE-XDTLVQLUSA-N 329.213 2.450 0 1 EEAF CC(C)(CO)NC(=O)Cc1ccc2c(c1)C(=O)c1sccc1CO2 27209236 GUUIQAAQPXGKBX-UHFFFAOYSA-N 345.420 2.301 0 1 EEAF COc1cc2oc(=O)c3c(c2cc1OC)CCN(C[C@H](C)N(C)C)C3 27743709 CYLYHIPMPKDNIG-LBPRGKRZSA-N 346.427 2.118 0 1 EEAF C[C@](O)(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1 26006919 WYZBSOZDBDRPSQ-ROUUACIJSA-N 345.349 2.352 0 1 EEAF CN1c2ccccc2[C@]2([C@]34CCN[C@@H]3N(C)c3ccccc34)CCN[C@H]12 2356566492 JKUVEXHEQZKNSO-YSFYHYPLSA-N 346.478 2.401 0 1 EEAF COc1cc(C=O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2CO 14649986 GDDOKXKOOVEGQY-CXAGYDPISA-N 328.320 2.446 0 1 EEAF biogenic CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCN1C#N 40954403 OCAFABUKPVDIBK-INIZCTEOSA-N 344.415 2.258 0 1 EEAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NC1CCNCC1 45498418 VRKXQLSQDRFTFO-UHFFFAOYSA-N 344.440 2.388 0 1 EEAF C[C@H](C(=O)O)N1CCN(c2ccc(OCc3ccccn3)cc2)C1=O 40875475 DKTVWMGMBQFELT-CYBMUJFWSA-N 341.367 2.376 0 1 EEAF COC(=O)CC[C@]1(C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587527550 XOVDEWCLRVQMPH-LJQANCHMSA-N 346.379 2.396 0 1 EEAF CC(C)(C)OC(=O)N[C@@H](c1nc2c(O)nc(N)nc2[nH]1)C1CCCC1 587224867 ICTPMCBJNVFZPQ-SECBINFHSA-N 348.407 2.397 0 1 EEAF Cc1ccc([S@@](=O)CCNC[C@H](O)COc2ccccc2)cc1 169345726 ISTKBENNVNORSW-HJPURHCSSA-N 333.453 2.132 0 1 EEAF COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1C[C@@H](OC)O[C@@H]1O2 13308652 QKCJGDIUSFKBPI-LNJFIHSBSA-N 344.319 2.125 0 1 EEAF in-man Cc1ccc(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1 1857652549 MPYGRCKAAVICEA-UHFFFAOYSA-N 334.383 2.127 0 1 EEAF O=P(O)(O)C(Nc1cc(Cl)cc(Cl)c1)P(=O)(O)O 52969057 ALPQLQJFTUXTFT-UHFFFAOYSA-N 336.004 2.044 0 1 EEAF COC(=O)C=CC(C)=C[C@@H](C)[C@@H](O)c1cc(O)cc(NC(C)=O)c1O 2356446243 CEGIRERGELADRL-PIGZYNQJSA-N 349.383 2.401 0 1 EEAF CCNc1nc(-c2ccc(C(C)(C)N)nc2)cc2ncn(C)c(=O)c12 115624544 URBKCGPBRUVPEF-UHFFFAOYSA-N 338.415 2.016 0 1 EEAF O=c1[nH]c2c(Cl)cccc2c(=O)n1CCCCCn1ccnc1 26377576 FPHKLPYHUMXACE-UHFFFAOYSA-N 332.791 2.410 0 1 EEAF O=C1CC[C@@H]2[C@H]3C[C@H]4N(CC[C@]45c4ccccc4N1[C@H]25)CC3=CCO 2356737949 NATQMIMPIXYWIZ-KHUAIMJISA-N 336.435 2.076 0 1 EEAF COc1ccc([C@H]2OC(c3ccncc3)=NN2C(C)=O)cc1OC 72178862 WNMNORKMMCBNPQ-QGZVFWFLSA-N 327.340 2.338 0 1 EEAF COc1ccc(C=C2C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C)cc1 13361130 LNJXHMVOPQVJDF-KRWDZBQOSA-N 336.391 2.236 0 1 EEAF biogenic COc1ccc2nc(-c3ccccc3)c(C[C@H](CO)NC(C)=O)n2c1 72180355 OGWZOWQWVDHDNQ-OAHLLOKOSA-N 339.395 2.049 0 1 EEAF CO[C@H]1C(=O)N(SC)[C@H]1c1cccc(I)c1 40976356 ZFULVQSWRCMJAO-VHSXEESVSA-N 349.193 2.468 0 1 EEAF COC(=O)C12CCC(NCCNC(=O)c3ccccc3)(CC1)CC2 84619945 OFQFWXUWVZXNKE-UHFFFAOYSA-N 330.428 2.272 0 1 EEAF O=C(/N=c1\[nH]cc(-c2ccccc2)[nH]1)C1=NNC[C@@H]1c1ccccc1 95559284 IHGPKQHIUZHXGL-OAHLLOKOSA-N 331.379 2.180 0 1 EEAF CCOC(=O)C1=NO[C@@]2(C1)C(=O)Nc1ccc(OC(F)(F)F)cc12 95566739 MEXOOXQSKJQSPA-CYBMUJFWSA-N 344.245 2.072 0 3 EEAF C[C@@H]1Oc2ccc(Br)cc2C=C1/C=C1/C(=O)NC(=N)N1C 95597647 HPBQGSXTVHKHCI-VQLBTBKJSA-N 348.200 2.494 0 1 EEAF CCN1CCO[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CC[C@@H]2C1 96082337 IGXUNFYQPNFTDJ-SJLPKXTDSA-N 327.428 2.351 0 1 EEAF Cc1cncn1CCCNC(=S)Nc1ccc2c(c1)OCCO2 96271500 DJEVZVHITAMVGR-UHFFFAOYSA-N 332.429 2.339 0 1 EEAF CN(Cc1ccccn1)C(=O)[C@H]1CO[C@H]2CCN(CC3CC3)C[C@@H]2C1 299842949 KWAKGTCIXFXSTD-SCTDSRPQSA-N 343.471 2.177 0 1 EEAF COC(=O)/C(=C/N(C)C)[C@@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1 587387101 NCSIIGQITZOFTL-CPPNXCSESA-N 344.411 2.310 0 1 EEAF C[C@H](OC(=O)Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 587555450 NVLPQXARSZSADT-JTQLQIEISA-N 325.324 2.283 0 1 EEAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3ncc[nH]c-3n2)cc1 586938519 KEAWLIGODFKGIV-SNVBAGLBSA-N 331.401 2.048 0 1 EEAF COC(=O)C1CCN(C(=O)Cc2cc3c4c(cccc4n2)CC3)CC1 587213396 WCCCUEMVMZFFTQ-UHFFFAOYSA-N 338.407 2.288 0 1 EEAF COC(=O)c1ccc2[nH]nc([C@H]3NCCc4nc5ccccn5c43)c2c1 962989450 QCPSQIBQBAXBIZ-QGZVFWFLSA-N 347.378 2.232 0 1 EEAF C[C@H]1C/C=C/[C@@H](O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 14415573 NHAQNKDEUQPSIX-DXOCLGOBSA-N 334.368 2.118 0 1 EEAF O=C1CCCN2N=C(SCC(=O)N3CCCCCC3)SC2=N1 425837 RXFPGAJCTMVZNM-UHFFFAOYSA-N 340.474 2.118 0 1 EEAF CC[C@H](C)[C@@H]1Nc2ccc(C(=O)N3CCN(CC)CC3)cc2NC1=O 6785512 YUJBFLSOFYWDPT-GUYCJALGSA-N 344.459 2.243 0 1 EEAF CC(C)(C)OC(=O)N1O[C@H]2C[C@@H]1[C@@H]1[C@@H]2N=NN1CCc1ccncc1 61943197 ANOKHENGFVYZOL-LXTVHRRPSA-N 345.403 2.367 0 3 EEAF CCC(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)C=Cc3ccccc3)[C@@H](C1)N2 2356539301 JUPCRQLGNACVMQ-HZMVEIRTSA-N 329.396 2.458 0 1 EEAF O=C(O)[C@@H](CCOc1cccc2ccccc12)CN1CCNCC1 26719476 JFQNUZOUNGSGDU-INIZCTEOSA-N 328.412 2.215 0 1 EEAF CC1(C)C[C@H](O)C[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(C[C@@H](O)[C@H]12)C[C@]4(O)CO 2356733618 KNCLQQIOJPEOIX-VOYHXECJSA-N 338.488 2.084 0 1 EEAF CC1(C)NC(=N)NC(=N)N1OCCCOc1cccc(Cl)c1 45188182 ZOQHBTXVQKGTDU-UHFFFAOYSA-N 325.800 2.141 0 1 EEAF CCNC(=O)c1cc(S(N)(=O)=O)ccc1Sc1ccccc1 49115128 FNYVAHRKYCCQJY-UHFFFAOYSA-N 336.438 2.235 0 1 EEAF N=C(N)c1ccc(OCCCOc2ccc(C3=NCCN3)cc2)cc1 40953605 LLKBCUCUNBFKAY-UHFFFAOYSA-N 338.411 2.168 0 1 EEAF COCCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccco1 82142820 LVZNVPXMFXVCFV-UHFFFAOYSA-N 330.388 2.467 0 1 EEAF COc1ccc([C@H]2Sc3ccccc3N(CCO)C(=O)[C@H]2O)cc1 34613662 KGGGMORTSFTLQR-DLBZAZTESA-N 345.420 2.228 0 1 EEAF biogenic Cn1nccc1C(=O)c1c(-c2ccnn2C)[nH]c2c(C(=O)O)cccc12 587638675 IELJHOAYGJMRLY-UHFFFAOYSA-N 349.350 2.231 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(=O)n(CC)c(O)n1 587872624 OUGDBAXYYIRNAB-UHFFFAOYSA-N 344.346 2.359 0 1 EEAF CCOC(=O)[C@H](CC)[C@]1(COC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438795 IAJYDEKCVQPESL-KSMMKXTCSA-N 348.395 2.417 0 1 EEAF CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@@H]13)O2 150338658 RIQQBAOFMYKBQJ-ZOMKSWQUSA-N 333.771 2.190 0 1 EEAF CNC[C@H](O)CN1CCc2c(cccc2OCc2cccc(F)c2)C1 1857616136 GPZFLSLTALXQMB-SFHVURJKSA-N 344.430 2.343 0 1 EEAF CNC(=O)CSc1cn(CC(=O)N2CCCC2)c2ccccc12 6867231 VPKFJKNNXYLNKQ-UHFFFAOYSA-N 331.441 2.102 0 1 EEAF CCOC(=O)c1c(S(=O)(=O)NC(C)(C)CC)c(C)n(C)c1C 7002799 OVHQFQIDLCFKSE-UHFFFAOYSA-N 330.450 2.286 0 1 EEAF c1ccc2c(c1)CC[C@@H](CNCCCCCNC1=NCCCN1)O2 26638353 FGWYYRTVGNYTGY-KRWDZBQOSA-N 330.476 2.079 0 1 EEAF CC(C)C[C@H](CO[P@](=O)(O)[C@@H](N)Cc1ccccc1)C(=O)O 29347608 PQHRQBCKQQETSH-ZIAGYGMSSA-N 329.333 2.463 0 1 EEAF CC(C)n1cc(C(=O)O)c(=O)c2ccc(N3CCN[C@@H](C)C3)cc21 103282254 CTARTTSEHQLPNL-LBPRGKRZSA-N 329.400 2.079 0 1 EEAF COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2OC(C)=O)cc1 14728228 XSDXQNVJNSCZNC-ROUUACIJSA-N 344.319 2.355 0 1 EEAF biogenic CC[C@H]1C(=O)N2C=CSC2=[N+](Cc2cc(OC)cc(OC)c2)C1=O 40554790 JKEFYKWGQWOGHX-AWEZNQCLSA-N 347.416 2.185 0 1 EEAF CCOC(=O)[C@@H](Cc1ccccc1)Nc1nc(N)nc(OC)c1N=O 95559605 KCRXMJQVQBIHJX-LLVKDONJSA-N 345.359 2.052 0 1 EEAF O=C1CCC[C@@H]1[C@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O 40392930 NRHPRGPVMBPMKF-VBKZILBWSA-N 332.359 2.304 0 1 EEAF biogenic C[C@H]1CC(=O)N([C@H](C)C(=O)NCc2ccc(C(F)(F)F)cc2)C1=O 299864103 LXVSRZHBTOTBKA-VHSXEESVSA-N 342.317 2.105 0 1 EEAF COc1ccc(-c2nnc3n(C)c(=O)c4ccccc4n23)cc1OC 653725374 KYDYULXUEYQGRR-UHFFFAOYSA-N 336.351 2.265 0 1 EEAF CC(=O)N[C@H](Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)c1ccc(C)cc1 587206013 JEUPNFKQMPOSFG-LLVKDONJSA-N 344.806 2.099 0 1 EEAF Nc1ccnc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 587149658 OZZDJBIBPJFQQV-SNVBAGLBSA-N 343.337 2.334 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)[C@H]1CN(Cc2ccccc2)C[C@H]1C3 587557018 FJOQVAQYMRVHMI-HIFRSBDPSA-N 334.379 2.208 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CN2CCOCC2)N1 587772451 HPOQQEZGFNDVIC-BMIGLBTASA-N 343.240 2.496 0 1 EEAF Cc1c(O)ccc2c1[C@](CCCC(C)C)(C(=O)O)N[C@H](C(=O)O)C2 963551393 NJRCOGIZCPABFY-SCLBCKFNSA-N 335.400 2.406 0 1 EEAF COc1ccc2c(c1)C[C@]1(CO2)N[C@H](C(=O)O)Cc2cccc(F)c21 962898895 MUXSZVDHEOXTFS-HNAYVOBHSA-N 343.354 2.264 0 1 EEAF COc1ccc(CNC(=O)NCn2cc(-c3ccccc3)nn2)cc1 1647440 WJBYCLZSYDGJQD-UHFFFAOYSA-N 337.383 2.411 0 1 EEAF O=C(O)C[C@H]1CC(c2ccc(OCCC3CCNCC3)cc2)=NO1 3812536 WLLIIQXAXPGRSL-MRXNPFEDSA-N 332.400 2.423 0 1 EEAF COC[C@H](C)N(Cc1ccccc1OC)C(=O)c1cc(C)[nH]c(=O)c1 55167167 IJDACSJFNZINSN-AWEZNQCLSA-N 344.411 2.369 0 1 EEAF CC(C)C=CC=C(CO)[C@@H]1CC[C@@]2(C)C[C@@](O)(CC[C@@H]2O)[C@H]1CO 2356530825 SQOSIRPMZMWBHD-HVTWWXFQSA-N 338.488 2.418 0 1 EEAF CC[C@H]1C(=O)OCc2c1c(C(=O)OC)c1n(c2=O)Cc2ccccc2-1 27420654 PJQFQPSFUBMPPU-LLVKDONJSA-N 339.347 2.214 0 1 EEAF Cc1noc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)n1 26381739 VLIVRBPDKQJNTJ-UHFFFAOYSA-N 329.747 2.470 0 1 EEAF COCCNC(=O)c1cc(-c2ccccc2)n(Cc2cc(C)no2)n1 36384177 BNRGZOAPRSYIMH-UHFFFAOYSA-N 340.383 2.271 0 3 EEAF C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1ccco1 199213896 XFGUYVGYMZRLNZ-SFHVURJKSA-N 337.383 2.352 0 3 EEAF O=C1[C@H]2CCN(Cc3ccccn3)C[C@@H]2OCCN1c1ccccc1 299841673 BBNYMZQTDNOQCN-OALUTQOASA-N 337.423 2.336 0 1 EEAF CCCc1cnc(N)c(CNC(=O)Nc2ccc3nc(O)oc3c2)n1 473155178 PUZYXJOZGPCZLV-UHFFFAOYSA-N 342.359 2.180 0 1 EEAF CN1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587337021 BAKGVIOFGUCCHY-LPHOPBHVSA-N 341.338 2.491 0 1 EEAF CCOC(=O)Cc1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1 587028572 SFRZIUFKQDCPAM-UHFFFAOYSA-N 344.396 2.055 0 1 EEAF CC(C)(C)OC(=O)N(Cc1nc2c(N)ccnc2[nH]1)C[C@H]1CCCO1 587197069 HUMPQJXCKVTPRK-LLVKDONJSA-N 347.419 2.456 0 1 EEAF CON(C)C(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570851 JPTVOWHCZBWZMO-KBXCAEBGSA-N 343.335 2.132 0 1 EEAF C[C@@]1(c2nc3ccc(C(N)=O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174487 PUGQZIUKWDWALQ-SFHVURJKSA-N 339.326 2.429 0 1 EEAF C[C@@H](F)[C@H](N)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587124726 OYABASLILFTMTA-ANLVUFKYSA-N 325.287 2.214 0 1 EEAF COc1ccc([C@@]2(C)NCCc3nc4ccccn4c32)c(N)c1OC 962988432 OAXARDFDMKZWMH-LJQANCHMSA-N 338.411 2.343 0 1 EEAF CCCCCC(=O)N1CC[C@@H](CC(=O)N(C)CCO)[C@@H](CC)C1 5413686 JXYNTJAXIYYUKQ-HOTGVXAUSA-N 326.481 2.282 0 1 EEAF biogenic O=C1NCCN1c1ccc(CN2CCC[C@H](N3CCCC3)C2)cc1 19835981 BEFRDPNMHZJQJM-SFHVURJKSA-N 328.460 2.276 0 1 EEAF O=C(NC[C@@H]1Cn2ccnc2CO1)c1ccc(C(F)(F)F)cc1 2356300003 RWSRBGLVEDKUGS-GFCCVEGCSA-N 325.290 2.231 0 1 EEAF CCCN(CCC)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 20574714 JZXPDDWNVUYPDL-UHFFFAOYSA-N 341.458 2.309 0 1 EEAF CNC(=O)CN(C(=O)COc1ccc(Cl)cc1)c1ccccc1 473136304 PPNRXXNFIMQKPW-UHFFFAOYSA-N 332.787 2.498 0 1 EEAF CCC(/C=C/C(=O)N[C@@H](C)C(=O)OC)=C\c1ccc2c(c1)OCO2 653803668 MIDJJBQISLYRNM-AOFGKIKWSA-N 331.368 2.443 0 1 EEAF CCn1cc(Br)c(Cc2nc3ccc(C(N)=O)cc3[nH]2)n1 587000700 PLSMLPFPEFMHAW-UHFFFAOYSA-N 348.204 2.232 0 1 EEAF Cc1c(C)c(O)n(-c2cc(C(=O)O)ncc2Br)c1O 587940623 JKNFYNQABWJSMI-UHFFFAOYSA-N 327.134 2.361 0 1 EEAF Cc1c(-c2nc3c(O)nncc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029476 PLMCSDNWTSEJPE-UHFFFAOYSA-N 340.368 2.208 0 1 EEAF Nc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587251997 SXHILSWPKAVIHP-UHFFFAOYSA-N 336.351 2.292 0 1 EEAF CN1CCc2cn(C)nc2[C@H]1c1ccc(OCCn2ccnc2)cc1 963955695 RHLLKDGBDNWRBV-LJQANCHMSA-N 337.427 2.273 0 1 EEAF CC(=O)N[C@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772628650 ZEEKDUDGUNORBS-LLVKDONJSA-N 339.399 2.172 0 1 EEAF COc1cc(CC[C@H]2CCc3nc(N)nc(N)c32)cc(OC)c1OC 5888691 VXEQKXPGFLRRTI-NSHDSACASA-N 344.415 2.329 0 1 EEAF COc1cccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)[nH]n2)c1 13538181 WMUSBRFXXCFZTI-UHFFFAOYSA-N 344.396 2.476 0 1 EEAF COc1ccc(OC)c(N(C)Cc2cccc3nc(N)nc(N)c23)c1 13740537 NVHYXHSWQXQWAQ-UHFFFAOYSA-N 339.399 2.448 0 1 EEAF COc1cc(-c2nn(C)/c(=N/C3CCCCC3)s2)ccc1C(N)=O 28375537 AUHBJNGBLVOSHF-ZPHPHTNESA-N 346.456 2.490 0 1 EEAF COc1ccc(N/C(=C/[N+](=O)[O-])NCCCn2ccnc2)cc1OC 101285158 LXZNHRGEPJBPNK-LFIBNONCSA-N 347.375 2.068 0 1 EEAF Fc1ccc2nc(CO[C@@H]3CN(Cc4ncc[nH]4)C[C@@H]3F)[nH]c2c1 2356302287 QOPDIACWLAQIIQ-SMDDNHRTSA-N 333.342 2.164 0 1 EEAF NC(=O)c1cccc2[nH]c(-c3ccc(CN4CCOCC4)cc3)nc12 26487656 UPZUGQSKDPPDCM-UHFFFAOYSA-N 336.395 2.161 0 1 EEAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccc2c(c1)OCO2 28457986 OFDXKNWKXMCVHV-ZMYBRWDISA-N 325.364 2.463 0 1 EEAF CCc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1 21640008 XGGOUFIUAAUKJV-UHFFFAOYSA-N 338.455 2.434 0 1 EEAF NS(=O)(=O)c1cccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 587173289 BCAVAQQCHXXHLK-LBPRGKRZSA-N 333.344 2.026 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1 587232324 WSXQJMNDPXFJNK-QWHCGFSZSA-N 345.399 2.298 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4nn[nH]n4)c1)[C@@H](C2)C3=O 587442510 YNXKHBRIVZCQGC-SUMWQHHRSA-N 334.335 2.364 0 1 EEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(F)c2[nH]1 586930608 UARHGDRWMCQEEH-UHFFFAOYSA-N 335.360 2.237 0 1 EEAF C[C@@H]1CC2(CC[C@@]13NC[C@@H]1CC(=O)N(C)c4cccc3c41)OCCO2 963035697 STSWJUSGWYQXOK-LAPQFRIASA-N 342.439 2.498 0 1 EEAF c1csc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)n1 1772624653 LYLAXOTXPODGTM-UHFFFAOYSA-N 339.428 2.442 0 1 EEAF COc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)C2CC2)C3)nn1 11973372 ZIMQLEBLVADBCZ-AWEZNQCLSA-N 339.395 2.290 0 1 EEAF Cc1c(C)c2c(c(C)c1O)[C@@H](C(=O)N1CCN(C)CC1)C(C)(C)O2 13651883 KTLJFGMUBVBUPQ-HNNXBMFYSA-N 332.444 2.346 0 1 EEAF CC(C)(C)OC(=O)NCc1ccc(-c2c[nH]cc(C(=O)O)c2=N)o1 1857552821 GTQJRJNCKBSLTO-UHFFFAOYSA-N 333.344 2.477 0 1 EEAF CN=c1[nH]cc(C(=O)OCc2ccccc2)c2nc(-c3ccco3)nn12 1857773351 ZOPYTUTUZKWAKO-UHFFFAOYSA-N 349.350 2.205 0 1 EEAF CCc1nnc(NC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)s1 4354079 HEGUAWAJDRYIMZ-GFCCVEGCSA-N 346.460 2.362 0 3 EEAF Cc1ccc(C(=O)Oc2ccc(C[C@@H]3NC(=S)NC3=O)cc2)cc1 103199785 GKIMOTSMVRWASU-HNNXBMFYSA-N 340.404 2.130 0 1 EEAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)c1ccco1 61906797 ZPYUBWLJKUGJKK-KRWDZBQOSA-N 328.324 2.252 0 3 EEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@H](CCO)C[C@@H](C1)[C@@H]23 2356786934 TVBMHUVFQRBOBY-JGAQIPAXSA-N 340.423 2.026 0 1 EEAF Cc1ccccc1-c1nc(C(=O)NCC(=O)N2CCCCC2)co1 82072136 UDAPRUNBFSNINF-UHFFFAOYSA-N 327.384 2.392 0 1 EEAF O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C12CC2)c1ccc(Cl)cc1 36043322 BVZSAQSHJSCTMX-LVEBTZEWSA-N 342.782 2.182 0 1 EEAF C[C@]1(CO)C[C@H](O)C[C@@]2(C)[C@H]1CC[C@H]1C[C@H]3C[C@]12CC[C@@]3(O)CO 40420897 OAKHNFTWNASSDJ-WUSQFYIWSA-N 338.488 2.086 0 1 EEAF Cc1ccc(N2C(=O)NC[C@@H](C(=O)N3CCc4ccccc43)C2=O)cc1 198117241 JFWGIWIMUHKOKL-INIZCTEOSA-N 349.390 2.257 0 1 EEAF C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)CC)[C@H]2CNC(=O)CC)cc1 95895377 GTUJJNILEQVMPG-MHKGJDFESA-N 344.455 2.311 0 1 EEAF Cc1cccc(CN2C[C@H]3COC[C@@]3(COc3cccnc3)C2)n1 299842811 ZXPROKWKCSIPFB-QFBILLFUSA-N 325.412 2.312 0 1 EEAF CN1C(=O)[C@](c2ccccc2)(c2cccc(Br)c2)N=C1N 137922634 JJAICPQAWSIWNG-INIZCTEOSA-N 344.212 2.479 0 1 EEAF Nc1ncnc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc12 587042454 KAZLQALQYWTLIC-SECBINFHSA-N 346.803 2.244 0 1 EEAF COC(=O)c1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cn1 587156411 NCRFFGJJZQMPJX-QGHHPUGFSA-N 326.331 2.225 0 1 EEAF O=C(O)CNC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103870 KHKVTKPMJKEZDE-UHFFFAOYSA-N 346.342 2.190 0 1 EEAF CCOC(=O)Nc1snc(C)c1-c1ccc2c(O)nc(O)nc2n1 587564906 YZFIFQAVOPWXQT-UHFFFAOYSA-N 347.356 2.436 0 1 EEAF Oc1nc(S)nc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 587040353 HHLVFDAJLQUQIJ-NXEZZACHSA-N 345.453 2.294 0 1 EEAF O=C(NCCc1cnccn1)c1coc(COc2ccc(F)cc2)n1 12314587 XBFCDFZRPBAIEI-UHFFFAOYSA-N 342.330 2.155 0 1 EEAF NC[C@@H]1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)C1 13534257 MBGKVLLSSVDNHB-JOQOYGCGSA-N 338.398 2.117 0 1 EEAF O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2S(=O)(=O)N1CCCCc1ccncc1 169295389 AWLGVKCXSOFROF-NCOADZHNSA-N 346.452 2.157 0 1 EEAF CN1CCN(Cc2cc(Cl)cc(Cl)c2)[C@@H](C2=NCCN2)C1 169359787 VKJOMDWMOSPJLM-CQSZACIVSA-N 327.259 2.111 0 1 EEAF C=Cc1ccc2c(c1)[C@]1(N=C(N)N(C)C1=O)C1(CCC(OC)CC1)C2 201271356 XZORAVYRRVCQGA-RGKRWLCDSA-N 339.439 2.443 0 1 EEAF Cc1csc(NC(=O)Cn2cc(-c3ccc(C(=O)O)cc3)nn2)n1 1857602348 GAEFLMUZFIVJJC-UHFFFAOYSA-N 343.368 2.047 0 1 EEAF CC[C@@H]1C[C@H]2C[C@H]3[C@H]1N(C2)C[C@@H](O)[C@]31Nc2ccc(OC)cc2C1=O 2356332428 DSABJRUCTHPZJA-GDNIZDJWSA-N 342.439 2.153 0 1 EEAF COC(=O)[C@@H](C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1 104199385 VHYPCJYNFCEMGE-SNVBAGLBSA-N 344.396 2.022 0 3 EEAF Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](NS(C)(=O)=O)CC1 101548488 GSYNORKHWRXRTP-TXEJJXNPSA-N 347.444 2.254 0 1 EEAF O=C(CC(=O)c1nnn[nH]1)c1cccc(OCc2ccc(F)cc2)c1 103139690 JQQQAURNUDGTQP-UHFFFAOYSA-N 340.314 2.374 0 1 EEAF CO[C@@H]1O[C@@H](O)[C@@H]2[C@@H]3C[C@H]4c5[nH]c6ccccc6c5C[C@@H]2N4[C@@H](C)[C@H]31 102046874 MCELWEQVMZEFMT-MKDFAALESA-N 340.423 2.411 0 1 EEAF CCNC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1 26481373 LWBUXMMQIVPREG-UHFFFAOYSA-N 342.428 2.016 0 1 EEAF O=C([C@H]1CCCO1)N1CCC(n2cc(-c3ccc(F)cc3)nn2)CC1 20137703 LYEWDIAFQDNXFB-QGZVFWFLSA-N 344.390 2.427 0 1 EEAF Nc1nc(N2CCOCC2)c2sc(-c3ccc(F)cc3)nc2n1 66112007 CQRGPPXBCTVSJP-UHFFFAOYSA-N 331.376 2.311 0 1 EEAF COc1cc(O)cc2c1-c1c3c(cc4c1C(=NCC4)[C@@]2(C)O)OCO3 15265665 FJYTXXBFGIOJGK-IBGZPJMESA-N 339.347 2.363 0 1 EEAF biogenic Nc1ccc2c(c1)[nH]c1[n+]2CCN(C[C@@H]2CCCN3CCCC[C@@H]23)C1 138208005 WETNHZVOLPIATI-YJBOKZPZSA-O 340.495 2.118 0 1 EEAF COc1cccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@H](C)CN3)c1 82224518 TUKCIMPEADJNDL-GFCCVEGCSA-N 344.415 2.198 0 1 EEAF COc1cccc(CNC(=O)c2nc3ccc(F)cc3c(=O)[nH]2)c1 149764700 HVOMKUJEQKHPFY-UHFFFAOYSA-N 327.315 2.001 0 1 EEAF C/C=C1\C[C@@H]2C[C@@H]3N1CC[C@@]31C(=O)c3ccccc3N1[C@H]2C(=O)OC 238749529 RLYVFQYPWUGRNE-TWNKGQPSSA-N 338.407 2.371 0 1 EEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@H](O)[C@@H]1[C@H]3C[C@@H](C[C@H]12)OC3=O 257501088 OEIFXOHVCYVTGK-FKOLAARSSA-N 346.379 2.223 0 1 EEAF endogenous,in-man C[C@H]1COc2c(Cn3ccnc3)c(F)cc3c(=O)c(C(=O)O)cn1c23 473243951 GDJIPMBQUISOPB-VIFPVBQESA-N 343.314 2.037 0 1 EEAF COC(=O)c1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cn1 587118925 STDWYOYGHZYIPO-UHFFFAOYSA-N 339.277 2.203 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nn(CC(=O)O)c1C)O2 587390869 ONCOKPHSEOQRHG-SFHVURJKSA-N 343.383 2.356 0 1 EEAF CC(=O)N[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580592 SMIDWNNCSCMMHW-GJYPPUQNSA-N 339.347 2.391 0 1 EEAF CCOC(=O)c1nn(C)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430430 FKBFIXZQQBEMQQ-PIGZYNQJSA-N 342.351 2.094 0 1 EEAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(N)=O 587864819 QKVGXWDTFQPNSB-UHFFFAOYSA-N 327.262 2.093 0 1 EEAF COC(=O)C[C@H](C)Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 587785831 PAKXLUPQOKSOGI-CYBMUJFWSA-N 331.416 2.137 0 1 EEAF CN(Cc1nc2cccc(O)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170263 QCTZQVKHFLTZKG-UHFFFAOYSA-N 335.360 2.228 0 1 EEAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cccc(O)c3[nH]2)cc1 586926179 LNMLWDCGAWVLQJ-UHFFFAOYSA-N 344.392 2.488 0 1 EEAF N[C@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@H]1c1ccccc1F 587155452 YWBDFFVPPNICTG-YVEFUNNKSA-N 335.346 2.019 0 1 EEAF Nc1ncc(Cl)nc1-c1nc2cc(Br)cnc2[nH]1 587086400 IUYKEUJGQNKJHM-UHFFFAOYSA-N 325.557 2.413 0 1 EEAF CN(C)c1ccc(-c2cc3nccnc3c(NCCCCN)n2)cn1 203749750 QEJOFXISUMFQBD-UHFFFAOYSA-N 337.431 2.304 0 1 EEAF CC(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)cc21 5930088 WXIRGZXYHGQYSS-NSHDSACASA-N 347.390 2.218 0 1 EEAF OCC(CO)OCn1c(Cl)nc2c(Cl)c(Cl)ccc21 5932934 ZMBRPOIEPZBZLW-UHFFFAOYSA-N 325.579 2.324 0 1 EEAF C[C@]1(N2Cc3cn[nH]c3C2)CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1 208089923 SNWSUIZYGCLPCO-USXIJHARSA-N 334.370 2.251 0 1 EEAF CCN1[C@H](C(=O)c2ccccc2)C(=O)c2ccccc2S1(=O)=O 2494948 DXTJDVSKQVGFMQ-OAHLLOKOSA-N 329.377 2.145 0 1 EEAF CCN(CC)[C@@H](c1ccc(F)cc1)c1nnnn1C[C@@H]1CCCO1 4190676 WZERLXNSIQRQIZ-HOTGVXAUSA-N 333.411 2.422 0 3 EEAF NC1=CN(Cc2ccccc2)C2=N/C(=C\c3ccccc3O)C(=O)N12 102960714 SVNPPAYLYVVCTL-GDNBJRDFSA-N 332.363 2.205 0 1 EEAF O=C1[C@@H]2[C@@H]3C=C[C@](CO)(O3)[C@H]2C(=O)N1c1ccccc1-c1ccccc1 101453329 DLLDGCMBIXQKEZ-XKGFGPFHSA-N 347.370 2.159 0 1 EEAF CCc1nc(-c2ncn3c2CN(C)C(=O)c2cc(F)ccc2-3)no1 26389333 AJMBEZQRWZVJQQ-UHFFFAOYSA-N 327.319 2.209 0 1 EEAF CC(=O)OCC(=O)c1cccc2c1S(=O)(=O)c1ccccc1O2 26188829 YCHQMPQJEKHQKU-UHFFFAOYSA-N 332.333 2.371 0 1 EEAF Nc1nc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)n[nH]1 27655505 DPIYHNLBCCEDGY-UHFFFAOYSA-N 327.219 2.016 0 1 EEAF NCCCCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O 26721475 LQMJAXFVYZGUMM-UHFFFAOYSA-N 340.427 2.034 0 1 EEAF Cc1cc2c(N)nc(N)nc2cc1-c1ccc(S(C)(=O)=O)cc1 72118179 HFWXNEFGEGPRCI-UHFFFAOYSA-N 328.397 2.173 0 1 EEAF CCNC(=O)c1ccc2nc(C)c3nnc(-c4cccnc4)n3c2c1 95596903 DBZJUMHACWPWRD-UHFFFAOYSA-N 332.367 2.398 0 1 EEAF Cc1ccc(S(=O)(=O)NC[C@H](CN2CCC2)c2cccnc2)cc1 263614764 UHBVETPGYAJKTB-QGZVFWFLSA-N 345.468 2.158 0 1 EEAF in-vitro NC(=O)[C@]1(c2cnccn2)CCCN1Cc1ccc(Cl)c(F)c1 299851491 CVRBBHQNQNVZFM-MRXNPFEDSA-N 334.782 2.246 0 1 EEAF COC(=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2n1 587158929 ZDSRMLMKAOJFKY-BTDLBPIBSA-N 326.331 2.225 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1 587231179 UECXMGXZTDQSOB-CHWSQXEVSA-N 341.415 2.476 0 1 EEAF O=S(=O)(c1ccc2nc(C=C3CCC3)[nH]c2c1)N1CCOCC1 587964720 GXLZWOVLITXUFR-UHFFFAOYSA-N 333.413 2.151 0 1 EEAF Oc1nccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587085501 WVPMMSRZSTWGMZ-UHFFFAOYSA-N 330.779 2.491 0 1 EEAF CN1C(=O)C[C@H]2CN[C@@]3(C[C@@H]4C[C@@H](C(=O)O)C[C@@H]4C3)c3cccc1c32 963015798 BFXPGMXNFLOHHO-ZUUKQHBVSA-N 340.423 2.456 0 1 EEAF CCCS(=O)(=O)N1CCC[C@H](C(=O)c2ccccc2OC)C1 11662402 BACNNWMGTLOPDC-ZDUSSCGKSA-N 325.430 2.330 0 3 EEAF COc1cc(O)c2c(c1)/C=C\C[C@H](O)[C@H](O)/C=C/C(C)(C)COC2=O 169323415 BMKXKEIIOWVNSK-PSVPZUSXSA-N 348.395 2.279 0 1 EEAF COC(=O)C(C(=O)OC)[C@H]1O[C@@]23COC=C[C@@]2(C)[C@@H]3c2ccccc21 169356232 PMTNJZPBVCGODU-STEAMIEHSA-N 344.363 2.106 0 1 EEAF Cc1cc(NC(=O)c2ccc(C#N)cc2)ccc1NS(C)(=O)=O 31110209 IHEGFKHZHLTNBI-UHFFFAOYSA-N 329.381 2.491 0 1 EEAF COc1cc2oc(C)cc(=O)c2c(O)c1C[C@@H](C)C(=O)C[C@@H](C)O 2356417675 IIUMSUVLRUBHEB-NXEZZACHSA-N 334.368 2.334 0 1 EEAF COCCCNC(=O)Cc1ccc(-n2c(C)nc3cccnc32)cc1 6900835 UEUWMBCTGQORNT-UHFFFAOYSA-N 338.411 2.424 0 3 EEAF Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)o1 100704040 GKDQDZWKTUFKJF-AWEZNQCLSA-N 341.367 2.199 0 1 EEAF Cn1ncc2c1C(C)(C)CCN(C1[C@@H]3CC4C[C@@H]1CC(O)(C4)C3)C2=O 101668505 KJNGBIARSCJULD-HHYICYQKSA-N 343.471 2.483 0 1 EEAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc(N)c(N)c1 100028543 BTVDQFQGKYHRQR-XERWBJCMSA-N 331.372 2.272 0 1 EEAF Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(O[C@@H]2CCNC2)c1F 29546919 MEJCGHQYEAPYAI-GFCCVEGCSA-N 348.353 2.485 0 1 EEAF COc1c(O)cccc1[C@H]1COc2cc3c(c(O)c2C1=O)OCO3 2356520143 BHOVBOHIMLYCTR-SECBINFHSA-N 330.292 2.194 0 1 EEAF CCO[C@H]1CCC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 35272141 BIXQYNLPUJEWLA-AWEZNQCLSA-N 338.795 2.455 0 1 EEAF O=C(O)CNC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 40976302 SIOLQIIMQYCBEE-UHFFFAOYSA-N 337.335 2.235 0 1 EEAF Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc12 587260638 XBWQXOCJTXNACO-NSHDSACASA-N 329.791 2.261 0 1 EEAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cnnc(O)c2[nH]1 586973903 SCXWJLSZWYSTME-CYBMUJFWSA-N 343.412 2.169 0 1 EEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Cl)nc2[nH]1 586945122 XOMFJBPUYBKOHY-UHFFFAOYSA-N 340.792 2.229 0 1 EEAF C[C@H](Sc1ncccn1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586963745 OHVUGXXGMRSBQC-QMMMGPOBSA-N 336.398 2.453 0 1 EEAF CS(=O)(=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 587153801 DHSUPZZCPBBYNA-YVEFUNNKSA-N 345.399 2.447 0 1 EEAF CCOC(=O)C[C@@]1(C(F)F)NC[C@H]2CC(=O)N(C)c3cccc1c32 963023299 JOUZGMDVOVBCKD-BMLIUANNSA-N 338.354 2.154 0 1 EEAF COc1cccc2c(C(=O)N[C@H]3CCCc4cccnc43)nc(N)nc12 1772645293 NHKVTQFWIUYQBM-ZDUSSCGKSA-N 349.394 2.423 0 1 EEAF Nc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1N1CCSCC1 8478 UBEMOMCZSHAXEB-UHFFFAOYSA-N 345.424 2.170 0 1 EEAF CNC(=O)CCn1c2c(c3cc(Cl)ccc31)CN(C(C)=O)CC2 103255652 ZDWGICKRXCMYDO-UHFFFAOYSA-N 333.819 2.335 0 1 EEAF CC(C)OP(=O)(COCCOc1cc(N)ncn1)OC(C)C 29561830 MICYRESNMJKLBA-UHFFFAOYSA-N 333.325 2.455 0 1 EEAF CCOC(=O)c1ccc2c(c1)[C@@H](n1ccccc1=O)[C@H](O)C(C)(C)O2 27555770 ZFZVLOYGVRYOFQ-SJORKVTESA-N 343.379 2.146 0 1 EEAF O=C(NCc1ccc(F)cc1)c1nc(-c2nccs2)nc(O)c1O 28644050 RCDJRYBGIPBIKX-UHFFFAOYSA-N 346.343 2.080 0 1 EEAF CC=C(C)C(=O)O[C@@H]1C=CC(=O)O[C@@H]1C=C[C@H]1OC(C)(C)O[C@@H]1C 2356618571 ZOEOJWDEJWCENT-KBUPBQIOSA-N 336.384 2.442 0 1 EEAF Cc1c(CN([C@@H]2CCNC2)S(C)(=O)=O)ccc2cc(F)ccc12 45289200 LNIDNIKEDAQTOW-MRXNPFEDSA-N 336.432 2.411 0 1 EEAF O=C(c1ccsc1)N1CCO[C@H]2CN(Cc3nccs3)C[C@@H]2C1 299843723 XCAVFJFWQMCLEG-KGLIPLIRSA-N 349.481 2.178 0 1 EEAF O=P(O)(O)C(Nc1ccc(Cl)c(Cl)c1)P(=O)(O)O 96286205 ADHSWFUIIRWNHD-UHFFFAOYSA-N 336.004 2.044 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(C)(C)O 587867694 MUBHOBBDRVUEEJ-UHFFFAOYSA-N 329.278 2.384 0 1 EEAF O=C1C[C@]2(CCN1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587594068 KDCAOYJKBUCSRB-QAPCUYQASA-N 325.320 2.003 0 1 EEAF Cc1nn(C)c2nc3ccccc3c(NCCCN3CCNCC3)c12 169330820 ZYBWUWAZUONNQH-UHFFFAOYSA-N 338.459 2.137 0 1 EEAF CO[C@@H]1C=C[C@]23c4cc5c(cc4[C@H](C)O[C@@H]2CN(C)[C@H]3C1)OCO5 2356329319 BEUAXUHESIYYCT-AFNOLDPESA-N 329.396 2.402 0 1 EEAF O=C1C=C2C(=CCO[C@H]2OC(=O)c2ccc(Br)cc2)O1 6535420 XICXFFJDFFKUFW-AWEZNQCLSA-N 337.125 2.329 0 1 EEAF COc1ccccc1C(=O)N1C[C@@H]2CN(c3nccc(C)n3)C[C@H]2C1 116822954 QHONPQUKHVHBBQ-HUUCEWRRSA-N 338.411 2.002 0 1 EEAF COCC(=O)NCC1CCN(CCc2c[nH]c3ccccc23)CC1 27987935 AGBCRFFHBASKHA-UHFFFAOYSA-N 329.444 2.185 0 1 EEAF COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)[C@H]1C=CO[C@]1(C)O2 2356461240 YSUCHUGGULCMTR-DYBLOJMWSA-N 342.303 2.251 0 1 EEAF CS(=O)(=O)N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72185761 DMSGRRLIJUSBJK-GFCCVEGCSA-N 331.319 2.134 0 1 EEAF Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1NCc1ccc(F)cc1 82212902 VAQMDRBFDUAXIK-AWEZNQCLSA-N 343.406 2.238 0 1 EEAF Cc1ccc(Cn2cc(CSC(=S)N3CCOCC3)nn2)cc1 96285723 UFGUZRHZGLLOKC-UHFFFAOYSA-N 348.497 2.485 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C3 587557020 FJOQVAQYMRVHMI-ZFWWWQNUSA-N 334.379 2.208 0 1 EEAF CCOC(=O)[C@@H]1CSC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587453389 QKFFPPHVHNYINV-BWACUDIHSA-N 334.393 2.108 0 1 EEAF Cc1nccc2[nH]c(Cc3nnc(NC(=O)OC(C)(C)C)s3)nc12 587023768 ICWBOUZESLWSLP-UHFFFAOYSA-N 346.416 3.056 0 1 EEAF C[C@H]1CC(C)(C)NC(=S)N1CCC(=O)NCCc1ccccc1 211945 JXGJPFXWIYCROS-AWEZNQCLSA-N 333.501 2.483 0 1 EEAF CCCCN(CC)CCCNC(=O)C[C@H]1Nc2ccccc2NC1=O 4056889 CLMITHKNQUAEQC-QGZVFWFLSA-N 346.475 2.438 0 3 EEAF CCC(=O)[C@H](Cc1ccc(O)c(Cl)c1)NC(=O)[C@H](O)[C@H](C)CC 2356390911 GQUNWFSEBZMTLB-AKWBHNSASA-N 341.835 2.459 0 1 EEAF COc1ccc([C@@H]2c3ccc(O)cc3O[C@@H]3NC(=O)NC(=N)[C@@H]32)cc1 64454175 JOCZQSNNSSPRJD-VYDXJSESSA-N 339.351 2.157 0 1 EEAF O=C(N[C@@H]1CN(Cc2ccccc2)CCC[C@H]1O)c1ccc(O)cc1 15672221 GNAMKGMESNLWOG-RTBURBONSA-N 340.423 2.148 0 1 EEAF biogenic Cc1cnc(N2CCN(c3ncccn3)CC2)nc1N[C@H](C)C(C)C 82203353 GHOZLKMCNHRMPX-OAHLLOKOSA-N 341.463 2.358 0 1 EEAF c1nc(N2CCOCC2)c2c(-c3cnc4sccn34)c[nH]c2n1 224894570 UJEUJDBAYJPPLN-UHFFFAOYSA-N 326.385 2.171 0 1 EEAF CC(C)C[C@H](C[P@](=O)(O)[C@@H](N)CCc1ccccc1)C(N)=O 653822795 BEWRVZZHISITDQ-HUUCEWRRSA-N 326.377 2.322 0 1 EEAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N1CCOCC1)CC2=O 587475250 NNYSOXJDVWTBME-IBGZPJMESA-N 347.411 2.318 0 1 EEAF CC(=O)Oc1ccc(Cc2cc3c(O)nc(O)nc3nc2C)cc1 587561622 SUGYCONYHXIYAQ-UHFFFAOYSA-N 325.324 2.261 0 1 EEAF COc1ccc2c(c1OC)[C@@](C)(CN1CCN(C)CC1)N(C)[C@@H](C)C2 962642183 YRDMYKIQFUAJSJ-MGPUTAFESA-N 347.503 2.043 0 1 EEAF CC[C@H]1N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@H]2CO3 1772633560 LDBVYQSHIPCQPT-AQPBGXKLSA-N 328.412 2.008 0 1 EEAF Cc1ccc(CCCn2cnc3c2NC=NC[C@@H]3O)c(C(=O)O)c1 13807492 FREWRWWQQNHHSI-AWEZNQCLSA-N 328.372 2.010 0 1 EEAF C[C@@H]1NC(=O)N(c2cccc(Cc3nnc(O)c4ccccc34)c2)C1=O 1857555634 ASTQTKGHPURHIR-NSHDSACASA-N 348.362 2.371 0 1 EEAF O=C1CC[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 100790179 XNXORWDKIQPSNX-VPCNSNALSA-N 325.408 2.411 0 1 EEAF CC[C@H](C(N)=O)N1C[C@H](c2ccccc2Br)CC1=O 114096596 CMGYTWWVFFCIAP-BXKDBHETSA-N 325.206 2.029 0 1 EEAF CO[C@@H]1C=C[C@](C)(O)CCC(=O)O[C@H](C)[C@H](C)[C@H](O)CC=C1C 2356671687 HYUFUJWFFITERP-JMIFQINSSA-N 326.433 2.368 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC(=O)[C@@H]1[C@H]3C[C@@H](C[C@H]12)OC3=O 95884385 FJCWYLRNGKSUCH-UTHWEAFNSA-N 344.363 2.431 0 1 EEAF Oc1nc(O)c2ccc(-c3cc(Br)cnc3F)nc2n1 587370140 UMUXWMPAXASYME-UHFFFAOYSA-N 337.108 2.400 0 1 EEAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587234858 JJRHCNPXHSBMCH-UHNVWZDZSA-N 330.132 2.453 0 1 EEAF Nc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc1CC(=O)O 587249299 FVUPRAOMVLIIKM-UHFFFAOYSA-N 336.351 2.324 0 1 EEAF O=C1N=c2ccc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)cc2=N1 1772626340 GQUGMJGLMGBAHW-QAPCUYQASA-N 331.375 2.004 0 1 EEAF COc1ccc(SCc2c[nH]c3nc(N)nc(N)c23)cc1OC 13652162 GMMNRNFBCUQMFF-UHFFFAOYSA-N 331.401 2.432 0 1 EEAF NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 169253435 JBTQGTQNCVBRNY-CQSZACIVSA-N 343.337 2.448 0 1 EEAF O=C(O)[C@@H](Cc1ccccc1-c1ccccc1)NCP(=O)(O)O 29308137 ABJDGPZKERIHEM-OAHLLOKOSA-N 335.296 2.074 0 1 EEAF CCNC(=O)[C@]1(C)CCCN(Cc2noc(-c3c(C)noc3C)n2)C1 61926542 ZWRDCKXGSPXXBI-QGZVFWFLSA-N 347.419 2.080 0 3 EEAF N[C@@](CCc1cc(Cl)cc(Cl)c1)(C(=O)O)[C@@H]1C[C@@H]1C(=O)O 27212057 WHJMNWPWVNYCQV-MISXGVKJSA-N 332.183 2.429 0 1 EEAF COC(=O)C[C@H](c1cccc(Cl)c1)c1c[nH]c2c(=O)[nH]c(N)nc12 27207874 VZSYNUQZHIVEOL-SNVBAGLBSA-N 346.774 2.182 0 1 EEAF COc1cn2c(cc1=O)C(=O)c1ccnc(C(=O)c3ccccc3)c1-2 2356802549 SJQOHQVYQFJNNI-UHFFFAOYSA-N 332.315 2.017 0 1 EEAF COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1OC 14436750 XRVWAQDGOCLFAE-UHFFFAOYSA-N 346.291 2.300 0 1 EEAF biogenic CCCCOc1ccc2cc(S(=O)(=O)NCC(=O)O)ccc2c1 40862632 ZSUOMZZWSFNHAV-UHFFFAOYSA-N 337.397 2.382 0 1 EEAF O=C(c1ccoc1)N1CC[C@H](N2CCOCC2)[C@@H]1Cc1ccccc1 299842419 QADBIRRZDJOJPY-OALUTQOASA-N 340.423 2.438 0 1 EEAF C[C@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)N(C)C 587191841 OALOCYLTFOWACE-LLVKDONJSA-N 326.404 2.115 0 1 EEAF Cc1cc(-n2c(O)cc(C(=O)O)c2O)nn1Cc1ccccc1F 587945403 OGCVKKUPNHPFMJ-UHFFFAOYSA-N 331.303 2.279 0 1 EEAF Cc1c(Cl)ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c12 586921137 CXGHPVUMPGGTTR-UHFFFAOYSA-N 338.820 2.373 0 1 EEAF Cc1nccc2[nH]c(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc12 586925022 DWMHGMBQZNRDLQ-UHFFFAOYSA-N 343.408 2.485 0 1 EEAF C[C@@]1(c2cc[nH]n2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962959034 DHNBBVBZIOHXSI-XPTSAGLGSA-N 327.718 2.204 0 1 EEAF Cc1cccc(CN2C(=O)c3ccccc3[C@@]3(CC(O)=NC3=O)C2=O)c1 13737600 ZONGICSDUIQUEQ-HXUWFJFHSA-N 348.358 2.302 0 1 EEAF Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(Br)cc1 14974307 FPMKGRSJBZZZBG-UHFFFAOYSA-N 333.189 2.426 0 1 EEAF COc1cc(O)cc2c1C(=O)O[C@@H](C)C/C=C\[C@@H](O)[C@@H](O)CC/C=C\2 169727614 DHJLJFUHCPWDSW-NGSVCPEISA-N 348.395 2.421 0 1 EEAF O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 326779804 OKGKHPUWMCLYII-WISYIIOYSA-N 343.257 2.178 0 1 EEAF CNC(=N)NC[C@]1(C)[C@H]2CC[C@H](C)[C@@]13C[C@H](COC)C(C(=O)O)=C3C2 2356357568 TXOWICKHJZONHF-YJBRQLBASA-N 349.475 2.220 0 1 EEAF CCc1cc2c(cc3c(=O)n(CC(=O)N[C@H](C)CC)ncn32)s1 6749530 KOFWZJUBFACSHE-SNVBAGLBSA-N 332.429 2.188 0 1 EEAF NC(=O)c1[nH]c2cc(F)c(F)cc2c1S(=O)(=O)c1ccccc1 28711510 HYMGHMRRLCCUJO-UHFFFAOYSA-N 336.319 2.378 0 1 EEAF O=C(c1ccno1)N1C[C@H](F)[C@@H](OCc2nc3ccccc3o2)C1 2356298895 ISYZAQUKOTYRNY-HZMBPMFUSA-N 331.303 2.195 0 1 EEAF CC(C)(C)Cc1nc2c(n1CC1CC1)CCN(S(C)(=O)=O)C2 43061786 DKTDSCXHQWKPAB-UHFFFAOYSA-N 325.478 2.199 0 1 EEAF O=c1[nH]c2ccc(Cl)cc2n1S(=O)(=O)c1cc(F)cc(F)c1 40404022 QXKRRLTXGOIFGB-UHFFFAOYSA-N 344.726 2.498 0 1 EEAF CC(C)n1nc(-c2cnc3[nH]cnc3c2)cc1C1CN(C2COC2)C1 146470331 RLXFDZCMHHJUTC-UHFFFAOYSA-N 338.415 2.200 0 1 EEAF O=C1[C@@]2(CO)C=C(Br)[C@H](C[C@@H]2c2ccccc2)[C@@]12CO2 95785150 NUHDVHTZWKNFRO-KOZAUXTDSA-N 335.197 2.399 0 1 EEAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1CC(=O)[C@@H]1[C@H]3C[C@@H](C[C@H]12)OC3=O 95884383 FJCWYLRNGKSUCH-UIFNLEDNSA-N 344.363 2.431 0 1 EEAF C[C@H](Nc1ccnc2cc(Cl)ccc12)C(=O)N1CCN(C)CC1 299839734 SXOWXEZFHNZYEZ-LBPRGKRZSA-N 332.835 2.463 0 1 EEAF COc1cc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2cc1C 587142008 IMRVOAQZRVTPRH-UHFFFAOYSA-N 335.360 2.333 0 1 EEAF CCOC(=O)C[C@@]1([C@H]2CCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455989 RRRVKLZSXSWNHE-ZXYWRSMDSA-N 346.379 2.314 0 1 EEAF N[C@@H](Cc1nc2cncnc2[nH]1)c1ccc(Br)cc1F 587144196 JBBCBHCHHCOVIM-JTQLQIEISA-N 336.168 2.497 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cncc(OC)c2[nH]1 587230983 KXBGUMGULBWWLD-VXGBXAGGSA-N 332.404 2.003 0 1 EEAF CCOC(=O)[C@H](CCOC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442579 QZYWDQMXQNFICX-IQUTYRLHSA-N 348.395 2.417 0 1 EEAF COc1ccc2c(c1)OC[C@@](O)(Cc1ccc(OC)c(OC)c1)[C@@H]2O 5918434 ZTXKDTJDLGSZEA-MOPGFXCFSA-N 346.379 2.112 0 1 EEAF CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCC(=O)O 13585541 FMXWOQZGNLEQRU-AJKRIUKHSA-N 329.462 2.293 0 1 EEAF COc1ccc([C@H]2c3c(C)n[nH]c3C[C@](C)(O)[C@H]2C(C)=O)cc1OC 13837326 MBIMTDRCHGLGLC-FHWLQOOXSA-N 344.411 2.380 0 1 EEAF Nc1c(Cl)cc(-c2cn(CCC(=O)O)c(=O)cn2)cc1Cl 206061908 STKFRQNMKAPOCQ-UHFFFAOYSA-N 328.155 2.274 0 3 EEAF CCOC(=O)c1cn2c(c1O)C(=O)N(Cc1cccc(F)c1)CC2 28826610 NIYSFVZEKVNKDE-UHFFFAOYSA-N 332.331 2.166 0 1 EEAF CCN1CCN([C@H](CNC(=O)c2cccs2)c2cccnc2)CC1 20485560 VLLDJGASWBZTGX-MRXNPFEDSA-N 344.484 2.252 0 1 EEAF CNCc1cc(-c2cnccc2C)n(S(=O)(=O)c2cccnc2)c1 115729105 KZLHRYUBQRWCHR-UHFFFAOYSA-N 342.424 2.210 0 1 EEAF CO[C@@H]1C=CC2=CCN3CCC(=O)c4cc5c(cc4[C@@]23C1)OCO5 14692300 DOJXTMYNRCGFBG-BFUOFWGJSA-N 325.364 2.414 0 1 EEAF biogenic CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCNCC4)ncn3)c2c1 221157606 OKRWUVIJUYAQSV-UHFFFAOYSA-N 338.415 2.217 0 1 EEAF COc1ccc2[nH]nc(-c3cc(N4CCO[C@H](C)C4)ncn3)c2c1 225557556 WDYDDVZVZCHPMB-LLVKDONJSA-N 325.372 2.254 0 1 EEAF CC[C@H](C)Nc1nc(N2CCN(c3ncccn3)CC2)ncc1C 82203088 JTQLHLBWMDTZBB-AWEZNQCLSA-N 327.436 2.112 0 1 EEAF COc1ncccc1CN1C[C@H]2CCN(c3ccc(C)nn3)C[C@H]2C1 96081482 HIRZBGFPSOIUCY-NVXWUHKLSA-N 339.443 2.147 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nn(CC(=O)O)c1C)O2 587390865 ONCOKPHSEOQRHG-GOSISDBHSA-N 343.383 2.356 0 1 EEAF COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]2[C@H]3C[C@@H]4[C@H]5[C@H]3[C@@H]1[C@@H]5C(=O)[C@@H]42 587446977 JHPDOUQWYHKSFC-NMQAZIKKSA-N 334.371 2.138 0 1 EEAF CN(Cc1nc2ccc(F)c(F)c2[nH]1)S(=O)(=O)c1cccnc1 586929107 RWFZPQHLJIIMQM-UHFFFAOYSA-N 338.339 2.057 0 1 EEAF O[C@@H](COc1ccc(CN2CCCCO2)cc1)CN1CCCCC1 13596453 DSVQCOMOROLUIM-GOSISDBHSA-N 334.460 2.440 0 3 EEAF COC(=O)c1ccc(C)c(CCCn2cnc3c2NC=NC[C@H]3O)c1 13807718 YFZDIPSQZMNRAS-OAHLLOKOSA-N 342.399 2.098 0 1 EEAF COc1cccc(CCN2[C@@H]3[C@@H]4[C@H]5[C@@H]6C[C@@H]7[C@H]5[C@@H]4[C@@]2(O)[C@H]7[C@@H]63)c1OC 169291792 FOTUXOOYRRRHFQ-HBRCWXNSSA-N 339.435 2.007 0 1 EEAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccccc3[C@@](O)(C(=O)OC)[C@@H]21 2356478879 WPVIERSTJRJSID-PIKADFDJSA-N 332.396 2.298 0 1 EEAF COc1ccc(OC)c(NC(=O)C(=O)c2ccccc2NC(C)=O)c1 2950759 LTKDHWZZHFCPPF-UHFFFAOYSA-N 342.351 2.484 0 1 EEAF CC[C@@H]1CN(C(=O)NC(C)C)CC[C@@H]1CC(=O)NCCSC 25430254 MVWREQSAPTZSHN-ZIAGYGMSSA-N 329.510 2.322 0 1 EEAF biogenic CC(=O)OC(C)(C)CNC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 28972378 QGDBWUXDIODTEX-YDFGWWAZSA-N 331.368 2.443 0 1 EEAF biogenic,in-vitro N[C@H]1CCN2C(=O)c3cc(C=Cc4ccc(O)cc4)ccc3NC(=O)[C@@H]12 2356837304 LJCRXTUZYVQQAS-FUHWJXTLSA-N 349.390 2.057 0 1 EEAF O=C(N[C@H]1CCCc2ccccc21)c1cc(CN2CCOCC2)on1 20995764 ZWYHFEFKWNXFBW-KRWDZBQOSA-N 341.411 2.314 0 1 EEAF CCN1CCC[C@@H]1CNC(=O)c1c(O)c(Cl)cc(OC)c1OC 34343064 DVNOGBDQNYJXJS-SNVBAGLBSA-N 342.823 2.277 0 1 EEAF Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@@](C)(O)CN1CCCCC1)CC2 72107164 ZUDNUZLSSFQSMM-XOBRGWDASA-N 347.455 2.108 0 1 EEAF CCn1nc(N2CCCC2)nc1/C=C/c1nc2c(C)ncc(C)n2n1 210624676 NTEBLLBKOKDZNU-BQYQJAHWSA-N 338.419 2.123 0 1 EEAF CCOC(=O)c1c(-c2ccc(F)cc2)[n+]([O-])c2ccccc2[n+]1[O-] 40864103 QVTMYMCKTQSTKG-UHFFFAOYSA-N 328.299 2.089 0 1 EEAF COc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@H]2Oc1cc(C)oc(=O)c1 31168561 SNJTUAZUAHBUTI-ANRSDYALSA-N 348.307 2.047 0 1 EEAF biogenic Nc1nc(C(=O)NCc2cccc3nc[nH]c23)c2cccc(F)c2n1 653784927 VYLSCEYEEGPBTA-UHFFFAOYSA-N 336.330 2.157 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCO3 587231298 NMJDIAWZCOREIP-NEPJUHHUSA-N 345.399 2.328 0 1 EEAF CCNC(=O)CCc1nc2c(Br)cnc(Cl)c2[nH]1 587231710 ZKYRFHUEHMGAFX-UHFFFAOYSA-N 331.601 2.443 0 1 EEAF CCOc1ccccc1OCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 587781958 ZYGJIHYTLABNJP-UHFFFAOYSA-N 347.396 2.188 0 1 EEAF N=C(N)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 587172170 YETKLXAQVKOLEY-UHFFFAOYSA-N 326.331 2.443 0 1 EEAF N=c1[nH]cc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc-2[nH]1 587167207 IEASABLHVBFVLI-LBPRGKRZSA-N 341.350 2.225 0 1 EEAF COc1ccc2c(c1OC)[C@@]1(CC(=O)NC(C)(C)C1)N(C)[C@H](C)C2 962570046 MXSTXCMQWSOQJI-BLVKFPJESA-N 332.444 2.464 0 1 EEAF Cc1c2c(c(C)n1-c1ccccc1)C(=O)N(CCSC(=N)N)C2=O 5596675 MNPPPERJUFSYBS-UHFFFAOYSA-N 342.424 2.317 0 1 EEAF O=C1N[C@@H]2ON=C(c3ccccc3)[C@@H]2[C@H]2ON=C(c3ccccc3)N12 5923896 IHTIDIABGVBCOA-IAOVAPTHSA-N 334.335 2.107 0 1 EEAF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)C)C=C(C)[C@]1(O)CC=C(C)[C@H]21 15059777 BRSFRASATUTFRS-PPLBCVRQSA-N 332.396 2.309 0 1 EEAF biogenic CC(C)c1cc(C(=O)NC2CCCCC2)nnc1N1CCOCC1 1857750939 AHLRLDJYCZPPEY-UHFFFAOYSA-N 332.448 2.499 0 1 EEAF CC1(C)[C@H](O)[C@H](O)C[C@@]2(C)[C@@H]1CC[C@@H]1C[C@H]3[C@H](O)[C@]12CC[C@]3(C)O 2356371759 PLILJVFREJTXNY-ZMIYIRCQSA-N 338.488 2.083 0 1 EEAF CC[C@H](C)Oc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC 28014209 MLUFWQXJVNOYHL-JTQLQIEISA-N 332.404 2.426 0 1 EEAF COc1cc(-c2cnc3ccc(N4CCOC4=O)cn23)cnc1OC 113757222 BPDFXDZYVBHPFO-UHFFFAOYSA-N 340.339 2.370 0 1 EEAF CN1C(=O)[C@H]2C[C@@H](CN2C(=O)Cc2ccccc2)Oc2ccccc21 2356301865 HCHIAFYPCKPMRY-DOTOQJQBSA-N 336.391 2.254 0 1 EEAF CC(=O)OCC(C)(C)C(=O)C[C@@H](O)C=CC=CC(C)(C)[C@@H](C)O 2356810194 AXDICNFRLXYFCS-HIFRSBDPSA-N 326.433 2.415 0 1 EEAF C[C@@H]1O[C@H](C=C=CBr)[C@H]2C=CCC(=O)CC[C@@H](O)[C@H]1O2 2356824447 GUWDQBAYXQDWME-CHRPLZDHSA-N 343.217 2.261 0 1 EEAF C[C@@H]1N[C@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O 34074276 JLJNCYCVSFKQGY-HOTRLAFDSA-N 338.363 2.024 0 1 EEAF O=C(c1cccs1)N1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 8295544 JHOUEWNPEGGJMM-ZDUSSCGKSA-N 341.392 2.041 0 1 EEAF biogenic C[C@@H]1CC(=O)NCC/C=C\C[C@H](c2ccc3c(c2)OCO3)NC1=O 95663296 GKMKZNOOFURFIF-BTBCPRSTSA-N 330.384 2.065 0 1 EEAF CNc1ncnc2sc3c(=O)n(-c4ccc(OC)cc4)cnc3c12 95561036 PIQUSCTXSJKVPN-UHFFFAOYSA-N 339.380 2.441 0 1 EEAF O=C(NC[C@H]1OC[C@@H]2CN(Cc3ccco3)CC[C@@H]21)c1cscn1 96185345 HTNKWBJBVMXCEV-DUVNUKRYSA-N 347.440 2.003 0 1 EEAF O=c1nc(NCc2cccc3ccccc23)cc(N2CCOCC2)[nH]1 95573209 OSVKHBLADUMRAW-UHFFFAOYSA-N 336.395 2.372 0 1 EEAF COc1ncccc1CN1Cc2nccn2C[C@@H](CN2CCCC2)C1 96188357 CZBLAZPTNMCHHY-INIZCTEOSA-N 341.459 2.015 0 1 EEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)nccc3[nH]2)c1 586937205 WYVWRUUSUHFZNJ-UHFFFAOYSA-N 339.808 2.293 0 1 EEAF NS(=O)(=O)c1cccc2[nH]c(C(=O)CCc3ccccc3)nc12 587954472 WJJOICMWIUSYPX-UHFFFAOYSA-N 329.381 2.026 0 1 EEAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587118555 RITURLKOORSTSB-UHFFFAOYSA-N 344.318 2.386 0 1 EEAF C=CN1CC[C@H]([C@@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)C1=O 963639342 UXQWLNHYLVOYKU-SPKLELGKSA-N 330.428 2.445 0 1 EEAF CN1CCc2cn(C)nc2[C@@H]1c1ccc(OCCn2ccnc2)cc1 963955693 RHLLKDGBDNWRBV-IBGZPJMESA-N 337.427 2.273 0 1 EEAF O=C(O)CN1C(=O)S/C(=C/c2ccc3cc(F)ccc3n2)C1=O 1772644543 UJFWLIGOYVXXHC-WUXMJOGZSA-N 332.312 2.495 0 1 EEAF Cc1noc2ncnc(N3CCC[C@@H](C(=O)Nc4cccnc4)C3)c12 15728882 XYOXJHFAWOHTRY-GFCCVEGCSA-N 338.371 2.176 0 1 EEAF C[C@H]1CC(=O)NN=C1c1ccc2nc(N3CCSCC3)oc2c1 168600146 VGLUISCAJXKZFS-JTQLQIEISA-N 330.413 2.241 0 1 EEAF CC(C)[C@]1(O)CC[C@]2(C)C[C@H]3[C@@H]([C@@H](O)C[C@H]3CO)[C@](C)(O)CC=C21 2356334825 NYVUJKBYRUEZKI-VSVUENFPSA-N 338.488 2.250 0 1 EEAF O=C(Nc1ccc(S(=O)(=O)NC2CCC2)cc1)c1ccccn1 58575672 XVZKCJYHDNPXTK-UHFFFAOYSA-N 331.397 2.165 0 1 EEAF CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]1C(=O)c1nc2ccccc2s1 28395368 WXLHATMSVASNCW-JKOKRWQUSA-N 331.441 2.453 0 1 EEAF COC(=O)C1=CC(O)=C[C@@H]2Oc3c(Cl)c(C)cc(O)c3C(=O)[C@@H]12 2356794082 HSRPMLAZSLQBEY-QWRGUYRKSA-N 336.727 2.469 0 1 EEAF CCCCn1cc2c(n1)CCc1c-2sc(NC(N)=O)c1C(N)=O 66098618 GWBLORXSIGSHMM-UHFFFAOYSA-N 333.417 2.100 0 1 EEAF Nc1cccc[n+]1C(c1ccnc2ccccc12)[n+]1ccccc1N 36382673 QSRPDAKXWYQOHK-UHFFFAOYSA-P 329.407 2.069 0 1 EEAF COc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1OC 45229447 TZRWNUJUMTVOQR-UHFFFAOYSA-N 339.399 2.414 0 1 EEAF Cc1cnc(N2CCN(C)CC2)nc1NCCc1ccc(F)cc1 82202304 IUMLHBRXYKJYJJ-UHFFFAOYSA-N 329.423 2.331 0 1 EEAF CCOc1ccc(CCNC(=O)C2=C(C)OCCO2)cc1OCC 149169495 LXGDXXVYBDZEKJ-UHFFFAOYSA-N 335.400 2.421 0 1 EEAF COc1ccccc1N1C(=O)[C@H]2[C@H]3C[C@@H]([C@H](S)[C@H]3S)[C@@H]2C1=O 299880162 LUMFAWHJRRAZQX-HWZPUXAMSA-N 335.450 2.047 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(S(N)(=O)=O)c1)O2 587409998 OZQKZDDFLVRXNT-KRWDZBQOSA-N 346.408 2.105 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(S(N)(=O)=O)c1)O2 587409999 OZQKZDDFLVRXNT-QGZVFWFLSA-N 346.408 2.105 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Nn3cccc31)CC2=O 587482512 BYXUSFQPIAKCJZ-GOSISDBHSA-N 326.352 2.481 0 1 EEAF Cc1ccccc1-n1c(-c2ccc(S(N)(=O)=O)cc2)coc1=O 13803957 VUELNKHOACUCIS-UHFFFAOYSA-N 330.365 2.053 0 1 EEAF C=COC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC=C 169347858 ZKDPCLRFAYZCHL-AWEZNQCLSA-N 333.340 2.435 0 1 EEAF CCc1c(C)[nH]c2cc([C@@H]3CCN(Cc4cccnc4)C3)nn2c1=O 19521721 USONCKIAEMVQCT-OAHLLOKOSA-N 337.427 2.278 0 1 EEAF Cc1ccc(NC(=O)NCCNC[C@@H](O)COc2ccccc2)cc1 28262360 AUWVXMUCEYSGPD-QGZVFWFLSA-N 343.427 2.146 0 1 EEAF Cn1ccnc1CN1C[C@H](F)[C@@H](OCc2nc3ccccc3o2)C1 2356299350 HAZDRBQLVUNTKV-WFASDCNBSA-N 330.363 2.300 0 1 EEAF COc1cc(C[C@@H](CO)c2cc(OC)c(O)c(OC)c2)ccc1O 2356431905 JNZVCQHZEMTVPB-ZDUSSCGKSA-N 334.368 2.442 0 1 EEAF CCO[C@H](C)C=CC=C[C@@H](O)CCC=CC(=O)NCC(C)(C)O 2356284657 OZMRSUOXUTZPNR-HZPDHXFCSA-N 325.449 2.108 0 1 EEAF Cc1ccc2cc3cc(C(=O)NCCN4CCOCC4)oc3nc2c1 20209559 CEIYWFYXBZCEPP-UHFFFAOYSA-N 339.395 2.351 0 3 EEAF CCC(=O)N1CC[C@@]1(C)C(=O)Nc1cc(-c2ccccc2)nn1C 61903113 WUBSZLLBKMQQHP-SFHVURJKSA-N 326.400 2.427 0 3 EEAF O=C(O)COc1c(CO)sc(Br)c1Br 28886792 OMXVYRSTFPLSIU-UHFFFAOYSA-N 345.996 2.229 0 1 EEAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CNC(=O)c1ccccc1 2356762111 ZKFVQHMXDMZLIC-ROUUACIJSA-N 343.471 2.139 0 1 EEAF CSCC[C@@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)C(=O)O 15969788 YBMAOYXLKNVQHK-LLVKDONJSA-N 336.369 2.121 0 1 EEAF biogenic NC(=O)c1c(N)nc(OC2CCCC2)nc1Oc1ccccc1F 84654678 GUSVNBGDJFACGI-UHFFFAOYSA-N 332.335 2.411 0 1 EEAF COC1=C2N(C)C[C@@H]3OC(=O)c4cc5c(cc4[C@]23CCC1)OCO5 137221302 NLRDXUFTQOWCNA-YJBOKZPZSA-N 329.352 2.179 0 1 EEAF Cc1cnc(N2CCN(C)CC2)nc1NCCOc1ccccc1 82202303 OEPCQFKHOACUAE-UHFFFAOYSA-N 327.432 2.028 0 1 EEAF Cc1ccsc1CN1CC[C@H]2O[C@H](C(=O)N3CCCO3)CC[C@H]21 96065388 RHTVHNUNYNBQLX-KFWWJZLASA-N 336.457 2.342 0 1 EEAF CCOC(=O)[C@@H](C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1)C(C)=O 587400863 SBIDRBIMRYXSOH-UGSOOPFHSA-N 333.384 2.460 0 1 EEAF CC1(C)COC(c2cccc(-n3c(O)cc(CCC(=O)O)c3O)c2)=N1 587936993 ZOLRCHGDLYGNAF-UHFFFAOYSA-N 344.367 2.461 0 1 EEAF CC[C@]1(Cn2cncn2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962617954 BDTYNFPUEFILTH-ACJLOTCBSA-N 330.432 2.477 0 1 EEAF COc1ccc2c(c1)c(C1=NC[C@@]3(CN4CCC3CC4)O1)cn2C 13451793 XBJQFOHLTDAODN-IBGZPJMESA-N 325.412 2.428 0 1 EEAF O=C1NC(Cc2ccccc2)=N[C@@H]2[C@H]1N=CN2CCc1cccs1 1857606372 ALTNKWSLKVDWDZ-SJORKVTESA-N 338.436 2.100 0 1 EEAF O=C(c1csnn1)N1CCC2(CC1)CCN(c1ccncc1)CC2 3956285 IMWIBCFLGGZQCV-UHFFFAOYSA-N 343.456 2.456 0 1 EEAF O=C(Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1)c1ccccc1 28970856 QHNVTSOIFWJGDP-UHFFFAOYSA-N 333.351 2.010 0 1 EEAF O=C(c1cnsn1)c1cc2c(c(Cl)c1Cl)O[C@@H](C(=O)O)C2 27996994 FUTQMYLRINLVMP-SSDOTTSWSA-N 345.163 2.464 0 1 EEAF O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 64512452 HPAKCEYAQQECIE-MROQNXINSA-N 343.301 2.200 0 1 EEAF COC(=O)[C@H](C)CCc1c(OC)c2ccc3c(c2n(C)c1=O)OCO3 14682508 DULJIGHAECEIEP-SNVBAGLBSA-N 347.367 2.018 0 1 EEAF biogenic COc1ccccc1NC(=S)N1CCO[C@H](C2=CCCN(C)C2)C1 40879898 FLBPYDBQECBQLV-KRWDZBQOSA-N 347.484 2.355 0 1 EEAF O=c1[nH]c2ccc(N3CCC[C@@H](CO)C3)nc2nc1-c1ccccc1 82231650 QRHDLDWNVZYJDH-CYBMUJFWSA-N 336.395 2.194 0 1 EEAF COC(=O)[C@@H]1C[C@]23C=CCN4C[C@H]([C@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@@H]43 238783432 AXEOWLVNPZQDNZ-RUWLLRIQSA-N 336.435 2.418 0 1 EEAF C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@H](CC[C@@H]3O)[C@]12C[C@@H](c1ccoc1)OC2=O 257439474 HUIHUOGNNSDDIV-BAXWQLMHSA-N 344.363 2.287 0 1 EEAF COc1ccc(CN(C)[C@H]2[C@H]3[C@H]4C(=O)[C@@H]5[C@H]6[C@H]4C[C@H]3[C@H]6[C@@H]25)cc1OC 299845602 LNTMHZZRTAQEJQ-SVCYDNDSSA-N 339.435 2.461 0 1 EEAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(O)nc(O)nc2[nH]1 587108917 IZVGFIGMSMHOHY-UHFFFAOYSA-N 340.217 2.148 0 1 EEAF O=C(NCc1nc2cc(Br)ncc2[nH]1)c1cscn1 587028783 WYTLRVYNKXRCTR-UHFFFAOYSA-N 338.190 2.107 0 1 EEAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(O)nc(S)nc2[nH]1 587175790 WDGJLMSCGZMCLV-VIFPVBQESA-N 344.375 2.210 0 1 EEAF COC(=O)c1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C 587430603 JPNBRTALMTVNBB-BFUOFWGJSA-N 341.363 2.483 0 1 EEAF CNc1ncnc(Cl)c1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962934056 IXJICBMBWIIHPZ-CQSZACIVSA-N 345.834 2.109 0 1 EEAF CCOC(=O)[C@H](C(C)C)[C@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963529229 WFWZYPBHBAHOBC-RFUYNDQBSA-N 349.427 2.350 0 1 EEAF CC(=O)C[C@@H](O)CC(=O)[C@H]1OC(=O)CC/C=C/Cc2ccccc21 169355431 LBRGXKIEUSFACK-QIGIYGOBSA-N 330.380 2.463 0 1 EEAF COc1cccc(N=c2[nH]n3c(=O)cc(C(F)(F)F)nc3s2)c1 1857655703 TYPQVSPFXXOVTD-UHFFFAOYSA-N 342.302 2.344 0 1 EEAF COc1cc(N2C(=O)CN3CCCC[C@@H]3C2=O)c(F)cc1Cl 103293970 NIOOHYXFZDYQMI-LLVKDONJSA-N 326.755 2.215 0 1 EEAF Cc1n[nH]c(NC(=O)NCc2c[nH]nc2-c2ccc(Cl)cc2)n1 23620005 CBXYMZGSRZLQLU-UHFFFAOYSA-N 331.767 2.478 0 1 EEAF S=C(N1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1 103230788 JSHQFBFAXPIUCG-UHFFFAOYSA-N 325.865 2.079 0 1 EEAF COC(=O)C1=CC(O)=C[C@@H]2Oc3cc(C)c(Cl)c(O)c3C(=O)[C@@H]12 2356804826 VANAINQFHHJRDO-QWRGUYRKSA-N 336.727 2.469 0 1 EEAF CCNC(=O)[C@@]1(C)CCCN(Cc2noc(-c3c(C)noc3C)n2)C1 61926543 ZWRDCKXGSPXXBI-KRWDZBQOSA-N 347.419 2.080 0 3 EEAF CC(=O)O[C@@H](C)C1=CC(=C(Br)Br)OC1=O 64459356 XQCQHDBEJIDTLV-BYPYZUCNSA-N 339.967 2.380 0 1 EEAF CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(C[C@H]23)[C@H](O)CCC4(C)C)OC1=O 34386055 VOFXXOPWCBSPAA-FFDZZMSESA-N 346.379 2.139 0 1 EEAF endogenous,in-man NS(=O)(=O)Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1911584762 OMOWPGDRNRXVEA-UHFFFAOYSA-N 326.761 2.175 0 1 EEAF CCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@H](C(C)C)N2 82206163 BTVHMUMERDGRHI-OAHLLOKOSA-N 342.443 2.482 0 1 EEAF N=C(Nc1ccc2c(c1)CCN2CCNCCO)c1cccs1 95561025 LXMGJCHBGJGBHZ-UHFFFAOYSA-N 330.457 2.130 0 1 EEAF O=C(N1CCN(Cc2ccc(F)cc2)CC1)n1nnc2ccccc21 95574985 KZPGFMGQQAJERK-UHFFFAOYSA-N 339.374 2.356 0 1 EEAF COC(=O)c1ccnc2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc12 587155248 IXFLNMLMNNCGHD-PIGZYNQJSA-N 326.331 2.225 0 1 EEAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587168750 LBJMFLLEGBHTFV-VIFPVBQESA-N 335.360 2.489 0 1 EEAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(C(=O)O)CC2=O 587491985 XXQXYMVKLIDICR-QGZVFWFLSA-N 336.340 2.388 0 1 EEAF Cc1c(O)ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1O 587651527 ANXCKNFFBIUOSN-UHFFFAOYSA-N 330.727 2.458 0 1 EEAF COc1cccc2cc3c(nc12)[C@@](C)(c1cc(C(=O)O)[nH]n1)NCC3 963049868 BGNDENVKJAMVHR-GOSISDBHSA-N 338.367 2.074 0 1 EEAF COc1cccc2cc3c(nc12)[C@@]1(CC(=O)C[C@@H](C(=O)O)C1)NCC3 963043754 AESLCYOHFDPZHJ-BFUOFWGJSA-N 340.379 2.038 0 1 EEAF Cc1ccc(F)c2c1NC(=O)[C@]21N[C@H](C(=O)O)Cc2cccc(F)c21 962899195 QPDLBUMENOKJAM-KPZWWZAWSA-N 344.317 2.068 0 1 EEAF O=C(c1cnccn1)N1CCC(N2C(=O)CCc3ccccc32)CC1 13832011 HZYPKFYZUFMABL-UHFFFAOYSA-N 336.395 2.061 0 1 EEAF COCCN1C(=O)C(=O)[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1 169687365 GQHWBFUTRHTKQP-HUUCEWRRSA-N 343.404 2.346 0 1 EEAF Cc1c(C(=O)NC(C)(C)C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 1662904 LMMMHTIDWFGMCW-UHFFFAOYSA-N 344.198 2.250 0 1 EEAF Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C[C@@H]1CCCN1 8581939 IBSCAHNKEHRFKF-JTQLQIEISA-N 344.806 2.187 0 1 EEAF Cc1nc(C)n(O)c1C(=O)c1ccc(S(C)(=O)=O)cc1Cl 103174382 DCDHYJOTXOZCJU-UHFFFAOYSA-N 328.777 2.025 0 1 EEAF O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1N/C=C1\C=Nc2ccccc21 104015830 AKRGZQAXQXGGAE-BWZAXPQPSA-N 331.375 2.301 0 3 EEAF CN1CC[C@@H](Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)C1 28959824 ATHMGOYFJBTTHP-OAHLLOKOSA-N 336.395 2.412 0 1 EEAF C[C@H]1CCN(C(=O)CC2CC2)C[C@H]1N(C)c1ncnc2[nH]ccc12 34028566 WCEMRCSQVJUUEL-SWLSCSKDSA-N 327.432 2.431 0 1 EEAF O=C(Cc1sc(N2CCCC2)nc1O)Nc1ccc(C(=O)O)cc1 326191670 ATKHBMVUTJNCIV-UHFFFAOYSA-N 347.396 2.328 0 1 EEAF COc1cc2c(c(OC)c1OC)C(=O)[C@H](O)[C@H](c1ccccc1O)O2 40401762 ZHIKCEFYCAGMHL-HOTGVXAUSA-N 346.335 2.095 0 1 EEAF N[C@H]1CC[C@@H](CNc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)CC1 473171625 TUBDCTXNBUJRCI-BJHJDKERSA-N 327.436 2.172 0 1 EEAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 586893122 USNFKNPFUSSYQJ-BZNIZROVSA-N 345.424 2.356 0 1 EEAF CCOC(=O)C[C@H](C(=O)OCC)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587397646 AEXWNVVPKTXLPA-WFASDCNBSA-N 349.383 2.044 0 1 EEAF Cc1cnc(O)n1-c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587559295 WXIINYGKSBIYLD-UHFFFAOYSA-N 335.323 2.303 0 1 EEAF Nc1ncc(Cl)nc1-c1nc2ccnc(Br)c2[nH]1 587088541 ZEECQMOKNHBXLS-UHFFFAOYSA-N 325.557 2.413 0 1 EEAF CC(=O)NC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755427 OFQPSZVYBDPQDF-XLKFXECMSA-N 329.213 2.474 0 1 EEAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ncc[nH]c-2n1 586973869 ROFYRZLASCRDMT-ZDUSSCGKSA-N 327.413 2.415 0 1 EEAF CO[C@@H]1C=C[C@](C)(O)CCC(=O)O[C@H](C)[C@@H](C)CCC=C1CO 2356320460 JCTFLSMEBFVVHP-MMNPAVHPSA-N 326.433 2.369 0 1 EEAF C/C=C/C[C@H](O)C(=O)[C@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)O)CO1 27435894 AHOVOJJBJRQBJK-INWGSFNLSA-N 342.432 2.338 0 1 EEAF O=S(=O)(Nc1ccc2nc(-c3cccc(F)c3)nn2c1)C1CC1 82081793 CUFBZMZETJVAAX-UHFFFAOYSA-N 332.360 2.440 0 1 EEAF CN(c1ncc(C#N)cc1F)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 149583640 NIZSBYBTEWWKRV-GFCCVEGCSA-N 337.362 2.079 0 1 EEAF Cc1cccc(N2CCN(C(=O)[C@H]3CCC(=O)N3C(C)C)C[C@H]2C)c1 251081914 XIZZOKRHJDSUBY-SJLPKXTDSA-N 343.471 2.432 0 1 EEAF Nc1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cn1 621428608 GVHYQTBOISEZNR-UHFFFAOYSA-N 339.182 2.339 0 1 EEAF Cc1ccc(N2C[C@H]3OCCN(Cc4ccsc4)C[C@@H]3C2)nn1 299841957 FZVASWMNHHBPTO-HZPDHXFCSA-N 330.457 2.184 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)C(I)=CCC3 587368925 BOJYKLGCZOLREK-UHFFFAOYSA-N 341.108 2.158 0 1 EEAF COC(=O)Cn1cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430661 KRMQYAZKLCVAOO-XIKOKIGWSA-N 327.336 2.158 0 1 EEAF COC(=O)C[C@@]1(c2ccncc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436360 OIJZVQKKWWOVAM-KUHUBIRLSA-N 339.347 2.296 0 1 EEAF Cc1cc(=O)n2nc(O)c(Cc3cccc(Br)c3)c2[nH]1 957575020 AVKMFLRSVLYZHW-UHFFFAOYSA-N 334.173 2.390 0 1 EEAF CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21NC[C@@H]2CC(=O)N(C)c3cccc1c32 963038652 ZNIRVEHPQJXLSU-QHMOAEBESA-N 340.423 2.154 0 1 EEAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ncnn1C)C1CC1 963633335 HVBVOKVMFYBWMQ-ADLMAVQZSA-N 328.416 2.020 0 1 EEAF NC(=O)c1c(F)ccc(OC[C@@H]2COc3ccc(F)cc3O2)c1F 1772655788 HQUUZLUOEQDKAR-VIFPVBQESA-N 339.269 2.422 0 1 EEAF Cn1c(=O)cc(OCC(=O)NCc2cccs2)c2ccccc21 5066556 NCMRVUJZDGXAPE-UHFFFAOYSA-N 328.393 2.295 0 3 EEAF CC[C@H](C)n1nc(C)cc1NC(=O)Cn1nnc(-c2ccccc2)n1 1857589553 HGWDQYPRYXCANJ-ZDUSSCGKSA-N 339.403 2.455 0 1 EEAF CCCNC(=O)[C@]1(C)CCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 61907199 ADSRHRVFHXGMNQ-GOSISDBHSA-N 334.464 2.325 0 3 EEAF COc1c(O)cc(-c2oc3cc(O)c(C)c(O)c3c(=O)c2O)cc1O 14437979 YHWRWADGJQENEZ-UHFFFAOYSA-N 346.291 2.305 0 1 EEAF biogenic CN1CCC=C([C@@H]2CN(C(=S)Nc3ccccc3F)CCO2)C1 40875877 PUTYLQRIQFVFDQ-INIZCTEOSA-N 335.448 2.485 0 1 EEAF CCC[C@@H](C)Nc1nc(N2CCN(CC(=O)OCC)CC2)ncc1C 82203379 GABZCSVNEHHVDX-OAHLLOKOSA-N 349.479 2.071 0 1 EEAF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)[C@H](O)C=C1CCN3CCC2 33830620 ZBIQTIQJLXNQFZ-AHRSYUTCSA-N 345.439 2.257 0 1 EEAF biogenic CC(C)Oc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(N)=O 299867006 PQVBTWOFACMWBV-UHFFFAOYSA-N 346.412 2.440 0 1 EEAF COc1cccc(CCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587932038 VANYQEUKXUOISC-UHFFFAOYSA-N 331.397 2.004 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(C)(=O)=O)nc1)O2 587409746 OCGQFOUCJOBDTL-AWEZNQCLSA-N 332.381 2.082 0 1 EEAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3c[nH]ccc3=N)[nH]c2c1 587249621 POOVZYBTBAIBSP-UHFFFAOYSA-N 345.428 2.068 0 1 EEAF NS(=O)(=O)c1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1 586898554 PCFYRLKWSPCTPL-UHFFFAOYSA-N 343.408 2.462 0 1 EEAF O=C(NCC1CCC(c2ccnc3ncnn23)CC1)c1ccccn1 19400367 GKGPUABXVRLSFI-UHFFFAOYSA-N 336.399 2.223 0 1 EEAF Cc1ccc(C(=O)O)cc1CCCn1cnc2c1NC=NC[C@H]2O 13807555 VAGKEGDTQGQMIL-CQSZACIVSA-N 328.372 2.010 0 1 EEAF CO[C@@]12C[C@@]3(CC[C@@H]1O)CC([O])=C1c4c(cc(O)c(c43)O2)C=CN1C 2356316357 ZYBUTPXCKMPZSG-MJXNMMHHSA-N 342.371 2.329 0 1 EEAF CCOc1ccc(OCC)c(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 4187973 FYKKYJCPDCPXTN-UGUYLWEFSA-N 347.367 2.077 0 1 EEAF CCOC(=O)[C@H](C(=O)COC(C)(C)C)[C@@H]1C=C[C@H](OC(C)=O)C1 6403338 UVHLJZLHSBNDJU-IPYPFGDCSA-N 326.389 2.058 0 1 EEAF CCNC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12 103262433 BRJGPYREHPMBAR-UHFFFAOYSA-N 325.372 2.000 0 1 EEAF CCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)c(CCS(=O)(=O)O)c1C 26495523 HHXQFBWIXHMMCR-NVNXTCNLSA-N 338.429 2.259 0 1 EEAF CCCNc1c(C(=O)OCC)cnc2c(Br)cnn12 26485847 JDWSOHQNSZYVOQ-UHFFFAOYSA-N 327.182 2.490 0 1 EEAF Cc1nccn1-c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1 35049908 GPSDEPHBJFHJLA-UHFFFAOYSA-N 335.414 2.028 0 1 EEAF O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(F)cc2)cc1 72107955 XRNABARUVISUPW-UHFFFAOYSA-N 336.344 2.123 0 1 EEAF O=C1C[C@@H]2C(=C3c4c2ccc(O)c4[C@H](O)C[C@H]3O)c2cccc(O)c21 14724604 PBYZCDIEUANPBF-COLVAYQJSA-N 336.343 2.490 0 1 EEAF biogenic Cn1cc(-c2ncc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1 139572413 FUSGHMJOXDMPRM-UHFFFAOYSA-N 342.366 2.218 0 1 EEAF CCOC(=O)C1=CCN(S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 199358139 OQZGQBIULRIQPG-CYBMUJFWSA-N 329.805 2.146 0 3 EEAF CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](C)N2 82207259 PWAFKEOVJBHFFH-GFCCVEGCSA-N 346.406 2.079 0 1 EEAF C/C(=C\C=C\[C@H](C)/C=C\CC(C)C)[C@H]1[C@@H](O)C=C(CO)[C@@H](O)[C@@H]1O 238742388 RLFDVGHDISQUKQ-LUNAJXQVSA-N 336.472 2.359 0 1 EEAF COc1cc2c3c(c1)O[C@@](Cn1cncn1)(C1(Cl)CC1)[C@@H](C2)C3=O 587423879 WSVLCZXHVWGIMQ-YVEFUNNKSA-N 345.786 2.245 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2C(CCO)(CCO)N1 587829544 XUVFEBYPYJPYOH-SECBINFHSA-N 332.213 2.083 0 1 EEAF NC(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 587051993 IKGFOQVMNOZKKX-LLVKDONJSA-N 330.775 2.263 0 1 EEAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(O)ncnc4[nH]3)cc2N1 587125772 UPNUEZGDPNJIKT-VDTYLAMSSA-N 339.281 2.230 0 1 EEAF C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1N 5335770 KZOZYDRQDRZKLS-TUAOUCFPSA-N 349.460 2.427 0 1 EEAF CC(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3cc[nH]c3n2)C1 168994152 OFCZNJUZAFYZNJ-ZDUSSCGKSA-N 336.399 2.443 0 1 EEAF Cc1ccc(N2CCN(S(=O)(=O)c3c(C)n[nH]c3C)C[C@@H]2C)cc1 428629 ZEFIJKOXRYPFSR-ZDUSSCGKSA-N 348.472 2.234 0 1 EEAF Cc1nn(C(=O)CCCC(=O)NC[C@H]2CCCO2)c2ccccc12 6768715 GFJHAXWRUZWGSX-CQSZACIVSA-N 329.400 2.450 0 1 EEAF COc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1C)n2C 6900436 MSCKTOJMGCBIMN-UHFFFAOYSA-N 349.390 2.249 0 1 EEAF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nc(CCO)no1 27432332 TVSAVMGFSCLPTQ-ZDUSSCGKSA-N 333.388 2.413 0 1 EEAF O=C(C1CC1)N1CCOC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 2356760525 ROFMZHJWTQPZMB-LBPRGKRZSA-N 330.306 2.117 0 1 EEAF COc1ccc2c3c1O[C@H]1[C@H](O)C(C)(C)C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 27759540 IXRJVYCFCPTYKT-HYRIIXRYSA-N 329.440 2.361 0 1 EEAF COC(=O)[C@H](CCc1ccccc1)c1nsnc1N1CCOCC1 49110244 MSQQESHDSMXBKQ-CQSZACIVSA-N 347.440 2.264 0 1 EEAF CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 95798436 FWVRCTKGOFOQAK-ZWKOTPCHSA-N 343.471 2.031 0 1 EEAF C[C@]12C[C@@H](c3ccoc3)O[C@]13C[C@@H](OC3=O)[C@H]1[C@@H]3C[C@H](C[C@@H]12)OC3=O 238739238 QEANLIISUSNNDX-DBXBKLAOSA-N 344.363 2.383 0 1 EEAF CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CC1CC1 95797511 FWVRCTKGOFOQAK-ROUUACIJSA-N 343.471 2.031 0 1 EEAF Cc1cccc(NC(=O)CSC(=S)N[C@H]2CCOC2=O)c1C 96929087 XHEPHEKDUAXQNZ-LBPRGKRZSA-N 338.454 2.165 0 1 EEAF O=C(COc1ccc2[nH]ncc2c1)Nc1ccc(-c2cnccn2)cn1 473121939 RCJLBNFSLNAABQ-UHFFFAOYSA-N 346.350 2.432 0 1 EEAF O=c1ccc2cc(OCc3cn(-c4cccc(CO)c4)nn3)ccc2o1 299827114 GCVIYDLLIZQRPK-UHFFFAOYSA-N 349.346 2.445 0 1 EEAF CC(=O)Nc1ccc(S(=O)(=O)NNc2cc(F)cc(F)c2)cc1 299840004 UKQLPPSIPRJBHG-UHFFFAOYSA-N 341.339 2.229 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nn2)N1 587760697 PXTMOBJDCUVFDO-WPPNPWJKSA-N 325.185 2.340 0 1 EEAF CCOC(=O)c1ccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2c1 587256005 AAMFLNRCSQZGEE-GFCCVEGCSA-N 347.415 2.341 0 1 EEAF CS(=O)(=O)c1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1 587566646 WWABZLMGUMXWOJ-UHFFFAOYSA-N 344.392 2.400 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)C(C)(C)n1cncn1 963639385 VARWZMCANFHWMI-SGTLLEGYSA-N 330.432 2.480 0 1 EEAF Nc1ncc2c(n1)C[C@H](c1ccco1)C[C@]21NCCc2ccc(O)cc21 963342814 TWRDHJPNHQCLQA-RNODOKPDSA-N 348.406 2.477 0 1 EEAF O=C(CCCN1C(=O)c2cccnc2C1=O)Nc1ccc(F)c(F)c1 212390 BJSWTMPRSKENFC-UHFFFAOYSA-N 345.305 2.375 0 1 EEAF COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccco2)[C@@H]1c1ccccc1 2308081 LGZITMZUYQSSKR-CVEARBPZSA-N 341.363 2.268 0 1 EEAF CCCCCCN(C)c1ccc2[nH]c(=O)c(CC(=O)OCC)nc2n1 2499594 FFTINBWZUCHYAZ-UHFFFAOYSA-N 346.431 2.440 0 1 EEAF COc1cccc2c1CCN2Cc1cnc2nc(N)nc(N)c2c1C 3814986 JDXBLGTZYYEWKD-UHFFFAOYSA-N 336.399 2.069 0 1 EEAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@H]1C/C=C\CC(=O)O 27641309 IDKLJIUIJUVJNR-AMEYMQHGSA-N 326.433 2.263 0 1 EEAF in-man CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSCC(=O)O)C(=O)O 26024899 CYPICWFWZCXOLE-CHPNCVJKSA-N 329.418 2.105 0 1 EEAF O=S(=O)(c1ccccc1)c1cccc2oc(N3CCNCC3)nc12 40392847 JDESGJUPIXKIGD-UHFFFAOYSA-N 343.408 2.070 0 1 EEAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(C(=O)C2CCC2)CC[C@@]1(C)O 2356552519 SSSPRVZGIBFFPR-ZHALLVOQSA-N 330.428 2.016 0 1 EEAF COc1cc2cnc([C@](O)(c3c[nH]nn3)C(C)C)cc2cc1OC 139866021 FNQBQSDVRFAVIN-KRWDZBQOSA-N 328.372 2.262 0 1 EEAF CS(=O)(=O)c1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1 40918433 FUONWQQDHNHFGH-WMZOPIPTSA-N 347.436 2.199 0 1 EEAF COc1ccc2c(c1)CN(C(=O)NCCc1cnc[nH]1)CCS2 141373214 LBINDTMYJRIUKU-UHFFFAOYSA-N 332.429 2.278 0 1 EEAF Cc1ncc(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)c(C2CC2)n1 95576140 NDLBUZLXSKJVNF-MOQPJMLJSA-N 327.428 2.332 0 1 EEAF COc1cc(CN[C@H]2COC[C@@H]2Cc2cc(C)no2)cc(OC)c1 299842475 GUEODCOGDVNKET-KSSFIOAISA-N 332.400 2.348 0 1 EEAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H](C)N(C)C)[nH]c2c1 587189237 AHRPZVXQTKXUAY-GFCCVEGCSA-N 338.477 2.086 0 1 EEAF CC(C)(SCc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(=O)O 586960722 ZJVRQZQDGCZQFU-UHFFFAOYSA-N 349.456 2.492 0 1 EEAF CC(C)(C)OC(=O)NCC(=O)n1ncc2ccc(Cl)cc2c1=O 587651891 GNWGMHBHKPJPGM-UHFFFAOYSA-N 337.763 2.215 0 1 EEAF CC(C)(C)OC(=O)NC[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962896338 MEQFJKMCVDJYRX-GUYCJALGSA-N 338.379 2.165 0 1 EEAF COc1ccc(-c2cnnc(N[C@@H](C)c3cnn(C)c3)n2)c(OC)c1 11773834 UXLYYKWAEULDRY-NSHDSACASA-N 340.387 2.462 0 1 EEAF Cc1ccccc1N1CCN(C(=O)COCc2c(C)noc2C)CC1 1857563425 JVZKRNVPPNHUGT-UHFFFAOYSA-N 343.427 2.465 0 1 EEAF CC(=O)OCC(C)=CCc1ccc(O)c2c1[C@H](C[C@H](O)C(C)=O)OC2 2356322763 ASYOOCLMBQIAEO-ROUUACIJSA-N 348.395 2.355 0 1 EEAF O=S(=O)(Cc1cccc(Br)c1)c1cccc[n+]1[O-] 3587021 WRCTXXTYWOQCAV-UHFFFAOYSA-N 328.187 2.056 0 1 EEAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2cccnc2)CC[C@@]1(C)O 2356288926 MUPNFNCDYLAJBM-VAMGGRTRSA-N 339.439 2.284 0 1 EEAF C[C@H](O)[C@H](C)OC(=O)[C@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1 100057132 GOHDSZGHAHFEHG-PHRGQOSZSA-N 342.439 2.440 0 1 EEAF in-vitro O=c1oc2cccnc2n1CN1CCN(c2ccccc2Cl)CC1 27557849 ICHILAZMLXDLLU-UHFFFAOYSA-N 344.802 2.423 0 1 EEAF C[C@@H]1C=C(OC=C2C(=O)O[C@@H]3C4=C(C[C@@H]23)[C@@H](O)CCC4(C)C)OC1=O 2356598784 ARGBKKMNXCMJSK-WCQXCIDTSA-N 346.379 2.344 0 1 EEAF C[C@]1(O)CC[C@@]23[C@@H](O)[C@@H]1C[C@H]2CC[C@H]1[C@]3(C)C[C@@H](O)C[C@@]1(C)CO 2356699066 AKJUXPHPVJRSGJ-WQGXBVGUSA-N 338.488 2.084 0 1 EEAF COc1c(O)ccc2c1C(=O)N1CCc3cc4c(cc3[C@@H]1C2)OCO4 6483439 XSILRSUKELEZIF-ZDUSSCGKSA-N 339.347 2.425 0 1 EEAF biogenic CCOC(=O)c1c(C)oc2cc(OCC)c(OS(=O)(=O)O)cc12 72107213 VJEJFNRPIVHICI-UHFFFAOYSA-N 344.341 2.498 0 1 EEAF CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@@]12CN(C)CCC2=O 49072392 OTNYINMNXYBRAM-VQTJNVASSA-N 341.455 2.184 0 1 EEAF O=C1N[C@H]2c3[nH]c4ccccc4c3C[C@@H]1n1c2nc2ccccc2c1=O 96923250 AKUKYDWKVYUGHT-RDJZCZTQSA-N 342.358 2.194 0 1 EEAF O=C(O)c1cccc(-c2cccc(-n3c(O)cc(C(=O)O)c3O)c2)n1 587937445 LPHKJHWKSWIWBT-UHFFFAOYSA-N 340.291 2.347 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN)(CCC(=O)O)N1 587747562 MGBHYPMURPPOBA-RMLUDKJBSA-N 345.212 2.141 0 1 EEAF CCN(CC)C(=O)N[C@H]1C=C2[C@@H]3C=CC=C4NC=C(C[C@H]2N(C)C1)[C@@H]43 1772641818 RABVCMHYPLVKSO-ILRDRHFLSA-N 340.471 2.224 0 1 EEAF COc1c2c(cc3c1[C@H](OC)N1CC[C@@]34C=C[C@H](OC)C[C@H]14)OCO2 14677514 PPHRXIAAESPDMQ-NBDXPDJTSA-N 345.395 2.370 0 1 EEAF biogenic Cc1cc(OCc2cc(C)nn2-c2ccccc2)n(CC(=O)O)n1 169346037 RNKZFEGBOTYDAH-UHFFFAOYSA-N 326.356 2.349 0 1 EEAF Cc1ncc(F)c(-c2ccc(C(=O)N[C@@H]3CCN(C#N)C3)c(F)c2)n1 1857604225 XYKCKEKCKGZVMC-GFCCVEGCSA-N 343.337 2.015 0 1 EEAF C[C@@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c([S@@](N)=O)c1 7997975 JHYJDHIDSGQJJZ-DJNLSKAYSA-N 349.843 2.417 0 1 EEAF Cc1ccccc1C(=O)Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1 103175182 FFUBSCITTFONOR-HNNXBMFYSA-N 340.404 2.130 0 1 EEAF CC(=O)NCCNc1nc2cc(-c3ccsc3)sc2c(=O)n1C 61925928 RQTWSZLPBRPKKB-UHFFFAOYSA-N 348.453 2.272 0 3 EEAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)c1ccco1 61907761 HQBASBOQFWIOSV-SFHVURJKSA-N 342.351 2.294 0 3 EEAF O=C(NC(=S)NNc1ncnc2ccccc12)c1ccc(F)cc1 84653482 SMYYUDVMMOFPNZ-UHFFFAOYSA-N 341.371 2.400 0 1 EEAF CCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@@H](CC)N2 82207387 ZJXLPJRIPOZGAL-CQSZACIVSA-N 328.416 2.236 0 1 EEAF CC[C@@]12CCCN3C(=O)C[C@@]4(O)c5ccccc5N(C(=O)CC1)[C@]324 96905610 LZUIMMLDZPLMRH-GUDVDZBRSA-N 326.396 2.133 0 1 EEAF FC(F)(F)c1ccn(Cc2cc(-c3nc4ncc[nH]c-4n3)no2)n1 587119851 IRJOTJAYNOHKCW-UHFFFAOYSA-N 335.249 2.223 0 1 EEAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C(N)=O)c1c(C)nn(C)c1C 963244632 XDTUKXMKJCKWNY-RBZFPXEDSA-N 340.471 2.422 0 1 EEAF CC[C@H](Sc1nc(S)c2cnn(-c3ccccc3)c2n1)C(N)=O 13759693 LIAGACZBVWWNOP-NSHDSACASA-N 345.453 2.460 0 1 EEAF O=C1CNc2cccc3c2N1Cc1c(-c2noc(C4CC4)n2)ncn1-3 13760377 OZHYKVCSXJSSLT-UHFFFAOYSA-N 334.339 2.072 0 1 EEAF CC(C)(C)[C@H](CO)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 207351311 KWNJQZSSKRFKMZ-AWEZNQCLSA-N 333.432 2.280 0 1 EEAF COCCn1c(=O)n(Cc2ccccc2)c(=O)c2c(C)csc21 1857573456 NVBIJVMAIGHHFX-UHFFFAOYSA-N 330.409 2.228 0 1 EEAF COc1ccc([C@@H](Cc2ccccc2)[C@H]2NC(=S)NC2=O)cc1 6411358 IWXWJOMNNDVWMS-HZPDHXFCSA-N 326.421 2.394 0 1 EEAF O=C(c1ccco1)N1CCN(C(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 101920722 QMVGBTHMAMOUMG-MGPQQGTHSA-N 333.457 2.101 0 1 EEAF Cc1cccc(OC[C@H]2CCCN(C(=O)Cn3ccccc3=O)C2)c1 77518569 PLPZYIQEQMQUNL-KRWDZBQOSA-N 340.423 2.474 0 1 EEAF OCCN(Cc1ccc(F)cc1)c1cc(C2CCNCC2)ncn1 39510196 DUUCHDXPHDHVES-UHFFFAOYSA-N 330.407 2.082 0 1 EEAF Cn1cc2c(nc(N)n3nc(-c4ccc(Br)cc4)nc23)n1 49071101 MMSBEDKQYXATNO-UHFFFAOYSA-N 344.176 2.023 0 1 EEAF CN1CCN(C(=O)c2ccc3c(c2)Oc2ccccc2[C@@]3(C)O)CC1 45354894 ZNKYJAKDSAXDPV-HXUWFJFHSA-N 338.407 2.436 0 1 EEAF COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC3)c2=O)cn1 84689720 MQXZSHNTUSGCLH-UHFFFAOYSA-N 337.383 2.478 0 1 EEAF Nc1cnc(-c2ccc(-c3cccnc3OCCO)cc2F)cn1 224819631 WHBMHBGXZFSDPW-UHFFFAOYSA-N 326.331 2.298 0 1 EEAF c1cc2c(c3c1C[C@@]14O[C@@H]3N[C@@H]1Cc1cc3c(cc14)OCO3)OCO2 14686870 FZQOMRMAWBUDHV-MNEFBYGVSA-N 337.331 2.139 0 1 EEAF CCCCNC(=O)NCCCN1CCN(c2ccc(F)cc2)CC1 201475201 CZDWUQCXKARTHO-UHFFFAOYSA-N 336.455 2.437 0 3 EEAF O=C1NC(Cc2ccccc2)=N[C@@H]2[C@@H]1N=CN2CCc1cccs1 1857606371 ALTNKWSLKVDWDZ-IRXDYDNUSA-N 338.436 2.100 0 1 EEAF Cn1c(-c2cc3c(s2)CNCC3)nc2c(C(N)=O)cc(F)cc21 1857764487 MHEGXLWYODUJMQ-UHFFFAOYSA-N 330.388 2.186 0 1 EEAF COCC(=O)N1CCC[C@@]2(CCN(C(=O)Nc3ccccc3)C2)C1 3955963 CJFATHVFSJPDSL-GOSISDBHSA-N 331.416 2.179 0 1 EEAF OCCN1CCN([C@H]2Cn3cccc3Sc3ccc(F)cc32)CC1 22925258 YHNPEPCGBKSLOS-INIZCTEOSA-N 347.459 2.443 0 1 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CCNC(=O)Nc1nc2cc(-c3cnc(OC)nc3)c(OC)cc2[nH]1 3508 ADASGIIHCQJGMX-UHFFFAOYSA-N 342.359 2.179 0 1 EEAF COC(=O)C1=C2[C@](C)(CC[C@@H](O)[C@]2(C)C(=O)OC)c2ccccc21 2356403472 KHTLNUGTVKMWNG-ZNOIYHFQSA-N 330.380 2.219 0 1 EEAF Nc1nc2nc(SCc3ccccc3)nc(NCCO)c2s1 144462528 PXHJGEFHFPDEDX-UHFFFAOYSA-N 333.442 2.365 0 1 EEAF O=C1CC[C@H]2[C@@H]3N1c1ccccc1[C@]31CCN3CC(=CCO)[C@@H]2C[C@@H]31 2356737948 NATQMIMPIXYWIZ-KCGBQYDYSA-N 336.435 2.076 0 1 EEAF CCN1CCC[C@H]1CNC(=O)c1c(O)c(OC)cc(Cl)c1OC 34343067 PVTGDSOBBMPZMQ-JTQLQIEISA-N 342.823 2.277 0 1 EEAF O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(C(=O)O)on1)Nc1ccccc1 15672827 YEGPGQLQLUNKQG-STQMWFEESA-N 343.383 2.170 0 1 EEAF biogenic CSCCOc1ccc2c(N3CCNCC3)cc(=O)oc2c1C 49942655 VKYRRPXGGJFIQZ-UHFFFAOYSA-N 334.441 2.253 0 1 EEAF O[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@@H]12)OCO5)OCO3 14718134 DKRYSHHGXFYAHR-ROUUACIJSA-N 339.347 2.290 0 1 EEAF biogenic Cc1noc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 142084280 SHHIOSORWYOVTI-MWLCHTKSSA-N 332.364 2.322 0 1 EEAF 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346.379 2.139 0 1 EEAF CN1[C@@H]([C@@H]2CSC(c3ccccc3O)=N2)SC[C@]1(C)C(=O)O 6032146 IYXVCNSDGXPAND-PSOPSSQASA-N 338.454 2.102 0 1 EEAF Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)o1 100704042 GKDQDZWKTUFKJF-CQSZACIVSA-N 341.367 2.199 0 1 EEAF COCCNc1nc(NCCCN2CCCC2=O)c2sccc2n1 61902683 BNFNSKZZTLXHOY-UHFFFAOYSA-N 349.460 2.174 0 3 EEAF CCNC(=O)[C@]1(C)CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 61907181 RKYKFWYJRDIGOC-LJQANCHMSA-N 348.443 2.011 0 3 EEAF CC1(C)CCC[C@]2(C)[C@H]1CC[C@@]1(O)[C@H]2C=C2OC(=O)C(CO)=C2[C@H]1O 1911576189 AJEHFJUQBMCCBA-PHVXBLLWSA-N 348.439 2.064 0 1 EEAF COc1ccc(C[C@H]2C(=O)c3c(O)c(C)c(O)c(C)c3O[C@H]2O)cc1 14811088 PLNGZQZXHIURST-ORAYPTAESA-N 344.363 2.476 0 1 EEAF biogenic CCO[C@@H](/C=C/C=C/[C@@H](C)O)CC/C=C/C(=O)NCC(C)(C)O 653690524 QYFDCLLLDJSPJX-LGSKUJHNSA-N 325.449 2.108 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCCC1=O 587873090 VAVNWGQKKSOPKQ-UHFFFAOYSA-N 331.347 2.351 0 1 EEAF CN1CCN(CCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)CC1 587875754 LUZAPTVTLHWRJS-UHFFFAOYSA-N 330.363 2.073 0 1 EEAF CCCc1nc(-c2nc3nc(N)ncc3[nH]2)nn1-c1ccccc1F 587155205 KLQQXNRXUZXNNZ-UHFFFAOYSA-N 338.350 2.274 0 1 EEAF CS(=O)(=O)NCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532525 NSNPEKNGEGTGGS-ZDUSSCGKSA-N 337.441 2.229 0 1 EEAF COC(=O)c1cnn(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587876682 VOSXXHAIEVCJCQ-UHFFFAOYSA-N 342.286 2.118 0 1 EEAF CC(C)(C)C1CS(=O)(=O)C(c2ccc(F)cc2)S(=O)(=O)C1 13742130 PMAZLRYYPLBLBN-UHFFFAOYSA-N 334.434 2.330 0 1 EEAF COC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)COC3=O)cc1 1857754699 MADOLINEXBCPON-UHFFFAOYSA-N 341.319 2.161 0 1 EEAF Fc1cccc(Cl)c1Cn1nnc2c(-n3ccnc3)ncnc21 1347392 GEKVNKROWNOOOM-UHFFFAOYSA-N 329.726 2.248 0 3 EEAF CCc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)nc1C 6425614 GJNNKWJCBVJDQN-UHFFFAOYSA-N 338.363 2.440 0 1 EEAF O=C(CCCCC1CCCCC1)OC[C@@H](O)[C@H]1OC(=O)C(O)=C1O 100366230 SKTIFPADXLJREZ-MLGOLLRUSA-N 342.388 2.284 0 1 EEAF CNC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(F)c1 114343432 RBMOLIOJAWRTIV-HNNXBMFYSA-N 339.374 2.240 0 1 EEAF C[n+]1cnn(CCCCCCCCCCCCn2c[n+](C)cn2)c1 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343.717 2.172 0 1 EEAF COCCN1CCN([C@H](CN2CCCCC2)c2ccccc2)CC1 198332855 YRAOZNCALMQNIG-HXUWFJFHSA-N 331.504 2.478 0 1 EEAF COCCn1c(=O)n(CCc2ccccc2)c(=O)c2ccsc21 1857539332 AZUJPLYROIGROJ-UHFFFAOYSA-N 330.409 2.114 0 1 EEAF COc1c(O)c(OC)c2c(c1O)OC[C@@H](Cc1ccc(O)cc1)C2=O 1857564684 HGBGSTNOKIXGKY-SNVBAGLBSA-N 346.335 2.255 0 1 EEAF Fc1cccc(CCn2cnc3c(N4CCNCC4)ccnc32)c1 1857630676 RDPOSTMWDXNPEO-UHFFFAOYSA-N 325.391 2.223 0 1 EEAF O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O 1538358 FHHVMVKHXJMNJE-HNNXBMFYSA-N 335.296 2.074 0 1 EEAF C[C@H]1C[C@H](NC(=O)c2c(O)n3ccsc3nc2=O)CC(C)(C)C1 100494547 DSPAHKILGVVFPA-UWVGGRQHSA-N 335.429 2.406 0 3 EEAF COC(=O)c1ccc2c(c1)nc(N)c1nc(C)n(CC(C)(C)O)c12 103263999 WMYKXORUYKRBKG-UHFFFAOYSA-N 328.372 2.033 0 1 EEAF Cn1ccnc1CN1C[C@H](F)[C@@H](OCc2nc3ccccc3n2C)C1 2356301467 APLQYTMXDPBPMH-BBRMVZONSA-N 343.406 2.046 0 1 EEAF CC(=S)NC[C@H]1CN(c2ccc3c(c2)CC[C@H](C)N3C=O)C(=O)O1 27422525 LBKIHFGZCLLJKJ-NHYWBVRUSA-N 347.440 2.246 0 1 EEAF NCCCn1cc(C2=C(c3ccco3)C(=O)NC2=O)c2ccccc21 29124592 ZTMZTBMWLZJFHV-UHFFFAOYSA-N 335.363 2.150 0 1 EEAF Cc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 72109165 SZEBADNUIQBPST-UHFFFAOYSA-N 332.381 2.292 0 1 EEAF COc1ccc2c(c1O)[C@@]13CCN(C)[C@H](C2)[C@H]1CCC1(C3)OCCO1 195486828 JTYRAFPUZSECSU-SPYBWZPUSA-N 345.439 2.442 0 1 EEAF COc1cc2c3c4c1O[C@]1(OC)C[C@]4(CC[C@@H]1O)C[C@@H]3N(C)CC2 238731340 RQLOGQPJLCEFLE-BPOGTFHJSA-N 331.412 2.146 0 1 EEAF Cn1c(O)c(C2=NNC(=O)C2=Cc2ccccc2)c(=O)c2ccccc21 33369142 YKNPVDGUCFTIAY-UHFFFAOYSA-N 345.358 2.162 0 1 EEAF biogenic COC(=O)C[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436377 PNWGETOQJXPMEC-AUUYWEPGSA-N 339.347 2.296 0 1 EEAF CCOC(=O)[C@@H](CC(C)=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444003 XVJWDYYHCSRLFK-PJIJBLCYSA-N 346.379 2.360 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncnc2N)N1 587745733 KIVDBFXXYFQVON-CPFSXVBKSA-N 337.196 2.584 0 1 EEAF CN1C(=O)C[C@@H]2CN[C@@H](c3cnc4n3C=CCC4=O)c3cccc1c32 963028661 PDNBFLBRVWXMSA-ADLMAVQZSA-N 334.379 2.083 0 1 EEAF C=C[C@]12CN(C)CC[C@@H]1[C@@](C(=O)OC)(c1cc3ccccc3[nH]1)CO2 14693441 DRYXIMTVLUTZDF-FFZOFVMBSA-N 340.423 2.485 0 1 EEAF biogenic Cc1ccsc1CN1CCc2nc(N3CCN(C)CC3)ncc2C1 15779380 SOBPOKPLBQIQQU-UHFFFAOYSA-N 343.500 2.157 0 1 EEAF CC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1Cc1ccc2c(c1)OCO2 427063 GSASTSAQZDWNAG-SGTLLEGYSA-N 332.400 2.211 0 1 EEAF CCOC(=O)c1ncn2c1CN(CC[18F])C(=O)c1cc(F)ccc1-2 100060881 NRBIGDVWCXXFLI-SJPDSGJFSA-N 334.313 2.113 0 1 EEAF in-vitro CCCCCO/C(O)=C1\C(C)=N[C@@]2(O)c3ccccc3C(=O)[C@]12O 104070529 HAELVZBIHRISLW-JPHOHROUSA-N 331.368 2.210 0 1 EEAF O=C(C[C@@H]1CCc2cccc3[nH]c(=O)c(=O)n1c23)Nc1ccccc1 29325691 AKBUSQHXJJYCAQ-AWEZNQCLSA-N 335.363 2.206 0 1 EEAF O=S(=O)(CCn1nnc(-c2ccccc2Cl)n1)c1ccccc1 60935178 IIBWISZWJJWGAR-UHFFFAOYSA-N 348.815 2.467 0 1 EEAF CC1(C)C=C(C(=O)NCCCNC(=O)c2cccs2)C(C)(C)N1 34267809 YBQSKIOMZWUQOB-UHFFFAOYSA-N 335.473 2.071 0 1 EEAF CCN1CCC[C@@H]1CNC(=O)c1c(O)c(OC)cc(Cl)c1OC 34343066 PVTGDSOBBMPZMQ-SNVBAGLBSA-N 342.823 2.277 0 1 EEAF O=C1OCC2=C1[C@@H](c1cc(Br)ccc1O)c1cn[nH]c1N2 71281137 UDSXRNXHTOYPNO-NSHDSACASA-N 348.156 2.246 0 1 EEAF O=C([C@H]1CCCO1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 95572939 RSSKWMLHOKVMPN-CYBMUJFWSA-N 333.775 2.495 0 1 EEAF COc1cc2c(cc1O)C[C@H]1c3c(cc4c(c3-2)OCO4)[C@H](O)CN1C 95099643 XJZFSXZXIKJSHY-GXTWGEPZSA-N 341.363 2.373 0 1 EEAF biogenic,in-vitro CN1CCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 621429898 FVSYBDOPNXAGLV-UHFFFAOYSA-N 340.452 2.170 0 1 EEAF O=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@@H]2N(CCc2ccccc2)C1 299842523 HTCWSTHFFKPNRZ-GBESFXJTSA-N 328.456 2.235 0 1 EEAF COC(=O)c1ccnc2[nH]c(-c3cc(C(F)(F)F)nn3C)nc12 587116692 BNBAXACELPYUMU-UHFFFAOYSA-N 325.250 2.164 0 1 EEAF C=CC(=O)Nc1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587243684 JVWSYOPWCJUXLQ-UHFFFAOYSA-N 331.339 2.330 0 1 EEAF Cn1nnc(-c2nc3cc(Br)ncc3[nH]2)c1C(F)F 587127890 BPVAHGBBWDGVNO-UHFFFAOYSA-N 329.108 2.454 0 1 EEAF COc1cncc(N)c1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 587254477 QWMFYVQDOAQBHR-UHFFFAOYSA-N 339.399 2.048 0 1 EEAF Nc1ccnc2[nH]c(-c3cnn4cc(Br)cnc34)nc12 587007868 FNQXRVRIJTWJLI-UHFFFAOYSA-N 330.149 2.012 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cnn(C)c1)O2 587391618 NYRBNHCSXSWSAZ-OOFWQKGWSA-N 326.400 2.247 0 1 EEAF O=C(Nc1ccccc1)c1c(Nc2ccccc2)nc(O)n(O)c1=O 1772585945 IHQJOBIDBYIZTR-UHFFFAOYSA-N 338.323 2.182 0 1 EEAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)[C@@H](C)O)ncc12 1772611826 IORJFYFPBNCLOI-MEBBXXQBSA-N 341.371 2.210 0 1 EEAF CC(=O)Oc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12 14645183 BRGVDAUNBGNDCG-UHFFFAOYSA-N 344.275 2.208 0 1 EEAF biogenic O=C1C[C@H](NC(=O)c2sc3cccc(Cl)c3c2Cl)C(=O)N1 1857582149 GQJDFUNHZMFVSN-LURJTMIESA-N 343.191 2.353 0 1 EEAF C[C@@H]1CCCCCCCCCC[C@H](O)[C@@H](O)[C@@H](O)C=CC(=O)O1 2356472067 KECCBFYFEOTIBV-MUQADHOPSA-N 328.449 2.472 0 1 EEAF C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]2N3)cc1 100107091 LJCHNGLJIJITDN-AJOPLGAHSA-N 326.440 2.413 0 1 EEAF c1ccc2c(c1)CC[C@H](CNCCCCCNC1=NCCCN1)O2 26638359 FGWYYRTVGNYTGY-QGZVFWFLSA-N 330.476 2.079 0 1 EEAF F[C@H]1CN(Cc2nccs2)C[C@H]1OCc1nc2cnccc2[nH]1 2356393525 MIDFHCTTYKNPKD-GXFFZTMASA-N 333.392 2.154 0 1 EEAF CC(=O)N[C@H]1CCN(c2ncc(C)c(NCc3cccc(C)c3)n2)C1 82203496 NAJFYRKLZAALIS-KRWDZBQOSA-N 339.443 2.420 0 1 EEAF COc1ccc2[nH]c(C(=O)NC[C@H](O)c3ccc(N)cc3)cc2c1 98083313 JSKAUXUXZKOHSV-KRWDZBQOSA-N 325.368 2.222 0 1 EEAF CC1=C[C@@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@](C)(O)/C=C/2[C@@H]1O)C3(C)C 238786075 SMGFYRJTHUJGEK-KXQPPGRMSA-N 334.456 2.377 0 1 EEAF Cc1nc(C)c(C(=O)Oc2ccc(/C=C/C(=O)O)cc2O)nc1C 473127078 AIJORVUGSGHXPT-FNORWQNLSA-N 328.324 2.424 0 1 EEAF Cc1cc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c(C)s1 587563020 OSZDRXBDQMHMAU-UHFFFAOYSA-N 331.353 2.408 0 1 EEAF Nc1cccc(Br)c1-n1c(O)cc(CCC(=O)O)c1O 587936278 HWTXWBVFPVFQOB-UHFFFAOYSA-N 341.161 2.250 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1ccnn1C)O2 587392115 QSTZDUCUSUOCML-XOWYPZSQSA-N 326.400 2.247 0 1 EEAF O=[S@](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)CC1CC1 586959002 LFEWVTSWQDYSKP-QHCPKHFHSA-N 333.457 2.054 0 1 EEAF CCCC[C@H](NC(=O)C(=O)CCCCc1ccc(OC)cc1)C(N)=O 1772624399 GMHHKLKBOXEOHM-INIZCTEOSA-N 348.443 2.137 0 1 EEAF C[C@@H]1CN(c2cc3c(cn2)OCC(=O)N3)[C@H](c2ccccc2)CO1 115888712 LUEWHQFKXHSTPR-DOMZBBRYSA-N 325.368 2.379 0 1 EEAF CCc1noc(-c2ncn3c2CN(C)C(=O)c2cc(F)ccc2-3)n1 26385459 ZZUUCQBLUGOXNN-UHFFFAOYSA-N 327.319 2.209 0 1 EEAF COc1cc(C(=O)NCCN2CCC[C@H](O)C2)c2cccc(C)c2c1 28343441 JRKHJIIIIQZFPL-HNNXBMFYSA-N 342.439 2.343 0 1 EEAF COc1cccc(CNc2nc(N3CCOCC3)ncc2C)c1OC 82202754 YQUADOFAXOHVGY-UHFFFAOYSA-N 344.415 2.251 0 1 EEAF Cn1nccc1CS(=O)(=O)Cc1nc2ccc3c(c2[nH]1)CCCC3 586923510 OITGYXYXDNLVSX-UHFFFAOYSA-N 344.440 2.290 0 1 EEAF NC(=O)c1cccc(C[C@H](N)c2nc3c(F)cnc(Cl)c3[nH]2)c1 587260267 PIDYTFSDIWAGDV-JTQLQIEISA-N 333.754 2.092 0 1 EEAF O=C(Nc1cnc2ccc(Cl)cn2c1=O)OCc1cccnc1 169313121 JGYPIKDLKRORNG-UHFFFAOYSA-N 330.731 2.492 0 1 EEAF O=C(O)c1nc(-c2cccc(OCc3ccccc3)c2)[nH]c(=O)c1O 3583604 IHENRRNKCCTTGR-UHFFFAOYSA-N 338.319 2.420 0 1 EEAF O=C(NC[C@@H]1COCc2nc3cc(F)ccc3n21)c1ccccn1 2356302156 NBVMPLFNNLVMBI-GFCCVEGCSA-N 326.331 2.072 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H](O)[C@@H]1[C@@H]3C[C@@H](C[C@H]12)OC3=O 100780937 OEIFXOHVCYVTGK-NMWLTDSUSA-N 346.379 2.223 0 1 EEAF endogenous,in-man O=C(NC1CCNCC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12 118667560 ITBAAQYBVUPCCT-UHFFFAOYSA-N 342.424 2.479 0 1 EEAF [O-][n+]1nc2c(Br)cnn2c2cc(C(F)(F)F)ccc21 64448560 WBBMWOKIBSYFQS-UHFFFAOYSA-N 333.067 2.297 0 1 EEAF O=C(NC1(CO)CC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@@H]1C[C@H]21 215558792 RAMHCAPSUIGEGV-ONGXEEELSA-N 345.349 2.065 0 1 EEAF COCCN1C(=O)CSC[C@]1(C)C(=O)Nc1c(C)cccc1C 199231777 ZAVKHLXDRRSUTM-QGZVFWFLSA-N 336.457 2.222 0 3 EEAF CC[C@H]1CN(C(=O)NC(C)C)CC[C@@H]1CC(=O)NCCSC 25430255 MVWREQSAPTZSHN-UONOGXRCSA-N 329.510 2.322 0 1 EEAF biogenic CCCCn1nnnc1[C@@]1(C)CCC(=O)N1CCOc1ccccc1 199215241 IIGUQUMSGGLIQM-GOSISDBHSA-N 343.431 2.390 0 3 EEAF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)CCC1=CCN3C[C@H]2O 84153817 OKOWTOMZIDGJAC-CRFBAAHOSA-N 331.412 2.387 0 1 EEAF biogenic,in-vitro CC1(C)C(=O)CC[C@]2(C)[C@@H]1[C@H](O)C[C@@]13CC[C@@H](C[C@@H]21)[C@](O)(CO)C3 238768904 MIGVEZTXNXZEOW-FTLCDWARSA-N 336.472 2.292 0 1 EEAF CC[C@@]12CC[C@@]3(CO)[C@@H]4CC[C@@]56CC[C@@H]7[C@@H](C[C@@]31[C@@]75CN2C4)C(=O)O6 238761713 OGPGWZBCJZOHEC-ZIECZPMKSA-N 343.467 2.345 0 1 EEAF C=CS(=O)(=O)N1CCN(Cc2c[nH]c3cccc(Cl)c23)CC1 618016914 CECBZBZLDLPFGF-UHFFFAOYSA-N 339.848 2.412 0 1 EEAF O=C(N[C@@H]1CCCCc2ccccc21)[C@H]1NNC(=O)[C@@H]2CCCC[C@@H]12 618013000 LJRGOHFGAVBMST-TVFCKZIOSA-N 341.455 2.380 0 1 EEAF CCOC(=O)C(=O)C[C@]1(C(F)F)CC(=O)c2cc(C)cc(N)c2O1 587381958 JDLLFUMQQKHUMC-INIZCTEOSA-N 341.310 2.069 0 1 EEAF CNC(=O)COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587387603 QKMIZBWPQJAOMU-QGZVFWFLSA-N 340.379 2.409 0 1 EEAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H](S(C)(=O)=O)C1)[C@@H](C2)C3=O 587450780 UUGOTPFRPQUUEB-IGCXYCKISA-N 336.409 2.169 0 1 EEAF CSc1ncc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)n1 587410470 NJABTMGWORGPEL-INIZCTEOSA-N 330.413 2.552 0 1 EEAF COC(=O)c1ccnc2[nH]c(CSc3ncccc3C(=O)O)nc12 586967969 HZLYGPUGLWVKRU-UHFFFAOYSA-N 344.352 2.130 0 1 EEAF Nc1nc(O)c2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 587077652 WDKWXUHTHGKCIM-NSHDSACASA-N 344.806 2.631 0 1 EEAF CC(C)Cc1cc(C(=O)N[C@H]2COc3ccccc3N(C)C2=O)no1 1772655058 BNFZELRXWKQQTE-AWEZNQCLSA-N 343.383 2.027 0 1 EEAF CCCCn1c(=O)n(CC(=O)NC(C)(C)C)c(=O)c2c(C)cccc21 1772604888 JRZZAZGEVNLNJE-UHFFFAOYSA-N 345.443 2.186 0 1 EEAF O=P(O)(O)C(Nc1ccc(Cl)cc1Cl)P(=O)(O)O 13643254 KASHBTOPZJTDFP-UHFFFAOYSA-N 336.004 2.044 0 1 EEAF COC(=O)c1cc2c(N)cccc2n(Cc2ccc(OC)cc2)c1=O 1857629326 HNTNNOKNBPMEQV-UHFFFAOYSA-N 338.363 2.427 0 1 EEAF NC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1 420761 UBPZKORWVLHQBW-UHFFFAOYSA-N 339.424 2.160 0 3 EEAF C[C@@H](C(N)=O)N(C)C(=O)c1cc2ccccc2[n+](Cc2ccccc2)c1 1620261 YFBUZYGJMOZXSA-HNNXBMFYSA-O 348.426 2.121 0 1 EEAF Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1C 3904551 CMMOFOKVLOKKDO-AZQPONJRSA-N 326.396 2.273 0 1 EEAF CC[C@@H](C)[C@H]1Nc2ccc(C(=O)N3CCN(CC)CC3)cc2NC1=O 6785506 YUJBFLSOFYWDPT-CXAGYDPISA-N 344.459 2.243 0 1 EEAF C[C@@H](CCc1cccc(F)c1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27736474 WGKXQUYYWFGQBK-KPZWWZAWSA-N 346.402 2.275 0 1 EEAF COc1ccc2c(c1OC)=CN(C)[C@@H]1C=2C=Cc2cc3c(cc21)OCO3 2356839340 LTMDWKQTBQCVRF-HXUWFJFHSA-N 349.386 2.035 0 1 EEAF COc1ccc(-c2ccc(=O)n(CCCCCCN)n2)cc1OC 28521443 NMKWYXGLIWTXRG-UHFFFAOYSA-N 331.416 2.447 0 1 EEAF O=C(Nc1ccc([C@H](O)CO)cn1)c1cc2cc(Cl)ccc2[nH]1 38783555 BTLBOZYNWCWYHS-CQSZACIVSA-N 331.759 2.494 0 1 EEAF O=C(Cc1ccccc1)OC[C@H]1OC(=O)N[C@@H]1Cc1ccccc1 34867550 BRSHZFHRHVMZRB-IAGOWNOFSA-N 325.364 2.492 0 1 EEAF COC(=O)c1cc(C(=O)OC)c2c(Cl)cc(NC(C)=O)cc2n1 73197120 YTSLLKKWXOACCG-UHFFFAOYSA-N 336.731 2.420 0 1 EEAF O=C(C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1)N1CCCCC1 49113150 PZLMKSJVPSKOHP-WOJBJXKFSA-N 342.483 2.239 0 1 EEAF CO[C@H]1CC(=O)N[C@@H]2CC[C@@H]3[C@@H]4CC[C@H](C(N)=O)[C@]4(C)CC[C@@H]3[C@@]12C 40685474 AXHBIEPEDODFJJ-KAKVMKTRSA-N 348.487 2.234 0 1 EEAF NC(=O)[C@H]1CCCCN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1 146440082 OGXMVGDHAPUYCP-MRXNPFEDSA-N 343.427 2.228 0 1 EEAF CCC(=O)O[C@H]1C=CC2=C(C[C@H]3C(=O)[C@H](C)C[C@@]24NCCC[C@@H]34)N1 238766465 OTVQDHKZSDXNFH-QLGBWKCPSA-N 330.428 2.046 0 1 EEAF Cc1cccc(CN2C[C@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2=O)n1 299843089 MDOFDOFGARGMJS-HOCLYGCPSA-N 341.436 2.182 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4cnnn4)cc1)[C@@H](C2)C3=O 587439911 XNQNOGDVCWJJCN-KXBFYZLASA-N 348.362 2.334 0 1 EEAF COc1ccc(S(=O)(=O)Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1 586920826 RRTTUJPOJZXEOP-UHFFFAOYSA-N 342.380 2.422 0 1 EEAF CCOC(=O)/C(=C/N(C)C)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429223 PFLFUSUCEYLVDT-QUSIZPECSA-N 345.395 2.210 0 1 EEAF C[C@H](CCC(=O)O)Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 587962650 IDPABIDEVXMWBK-CYBMUJFWSA-N 331.416 2.439 0 1 EEAF c1cc2c(ncn3nnc([C@H]4CCCN(Cc5cncs5)C4)c23)[nH]1 1772624562 FKXBAZKIIGGPFW-NSHDSACASA-N 339.428 2.442 0 1 EEAF N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 204985782 PMXSQTYWBDXQET-YGRLFVJLSA-N 345.790 2.480 0 1 EEAF Cc1cc(F)cc(N=c2cc(NC3CC3)c3ncc(C(N)=O)n3[nH]2)c1 1857770474 OLBDEEXDXLJJDK-UHFFFAOYSA-N 340.362 2.016 0 1 EEAF Nc1ncc(N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1 1645710 FCILPHVBLCBJBN-UHFFFAOYSA-N 327.432 2.074 0 1 EEAF C[C@]1(O)CCCC[C@H]1N1CCC2(CC1)C(=O)NCN2c1ccccc1 28563751 MZTTUCULHGPKLC-MJGOQNOKSA-N 343.471 2.109 0 1 EEAF CC(=CCO)[C@H]1Oc2ncc(-c3ccccc3)c(O)c2[C@]1(C)CO 2356785948 YENMWZZHPMKEFC-MJGOQNOKSA-N 327.380 2.404 0 1 EEAF C[C@@]1(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)NC(=O)NC1=O 71335322 MWZCFWUWFDIBRP-IBGZPJMESA-N 333.347 2.250 0 1 EEAF O=C(CC(=O)C(=O)O)NCCCc1cccc(-c2ccccc2)c1 84669314 HIIOKWJFTADLMM-UHFFFAOYSA-N 325.364 2.446 0 1 EEAF Cc1cncn1CCCNC(=S)Nc1ccc2cnn(C)c2c1 96271491 LDJMNSUWNOEKDI-UHFFFAOYSA-N 328.445 2.455 0 1 EEAF Cn1cc(C(=O)NC(=S)Nc2ccc(Br)cc2)cn1 473093149 SVPCMNJWZNELQO-UHFFFAOYSA-N 339.218 2.309 0 1 EEAF C[C@H]1CC(=O)N([C@@H](C)C(=O)NCc2ccc(C(F)(F)F)cc2)C1=O 299864102 LXVSRZHBTOTBKA-UWVGGRQHSA-N 342.317 2.105 0 1 EEAF CCN1Cc2cc(F)ccc2N(C[C@@H](O)C(F)(F)F)CCC1=O 299851346 FJKCBVLHGQPHEG-CYBMUJFWSA-N 334.313 2.308 0 1 EEAF CCOC(=O)[C@H]1C[C@H](C(C)C)Cc2cc3c(O)nc(O)nc3nc21 587559553 KLOMRNIYGCFPRJ-KOLCDFICSA-N 331.372 2.301 0 1 EEAF COc1cc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2cc1C 586930480 UOWCXBUUKLEDNR-UHFFFAOYSA-N 345.424 2.313 0 1 EEAF Cc1c(-c2nc3c(O)ncnc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073957 OFHJSJQBCPCRLC-UHFFFAOYSA-N 341.762 2.327 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNC(=O)C2)N1 587797450 SOYCPROSZHRQRW-RTHLEPHNSA-N 327.197 2.228 0 1 EEAF CCOC(=O)C[C@]1(c2ccn(C)n2)CC(=O)c2cc(C)cc(N)c2O1 587393233 ZYEBHJJKHDXSIM-SFHVURJKSA-N 343.383 2.125 0 1 EEAF Nc1ncncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576822 PUUUJNZMDBUBFV-YOEHRIQHSA-N 335.319 2.467 0 1 EEAF C[C@H](NC(=O)[C@@H]1C(=O)c2cccc3c2N(CC3)C1=O)c1ccccc1 957743213 JNDSQNZDBSEXIO-LRDDRELGSA-N 334.375 2.266 0 1 EEAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccnn2-c2ccccn2)N1 962926543 WZMBDSCNNFMONI-YOEHRIQHSA-N 338.342 2.095 0 1 EEAF O=C1[C@H]2[C@H]3c4ccccc4[C@@H]([C@H]2C(=O)N1c1ccccc1)S3(=O)=O 5884367 UPTXECXZLCKHIL-GEEKYZPCSA-N 339.372 2.017 0 1 EEAF Nc1nc(N[C@H]2Cc3ccc(F)cc3C2)nc(N2CCCCC2)n1 13800833 QGCUBJONLOMFPY-AWEZNQCLSA-N 328.395 2.163 0 1 EEAF O=C(COC(=O)[C@@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)Nc1cccc(Cl)c1 169690094 MNBATSXGFCDNBK-IYEZJWFFSA-N 349.770 2.019 0 1 EEAF CC[C@H](C)N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@H]3C1=O 168109074 WBTXSYLBOXAEQH-RAPQVLNZSA-N 341.407 2.310 0 1 EEAF CCOC(=O)c1cccc(-c2cc(C(=O)OC)c3n(c2=O)CCC3)c1 203460053 GDULQCFGCMJVJO-UHFFFAOYSA-N 341.363 2.425 0 3 EEAF Cc1cc(O)cc(Oc2cc(C)c(C(=O)OC[C@@H](O)CO)c(O)c2)c1 1857628712 IJWLNMJZIYNUSN-ZDUSSCGKSA-N 348.351 2.017 0 1 EEAF C[C@H]1C[C@H](C)CN(CCCNC(=O)[C@@H]2CCC(=O)N2C2CCCC2)C1 4099445 ODBQOHMVJQEFQL-BQFCYCMXSA-N 349.519 2.404 0 1 EEAF O=C1CCCN1CCCn1cnc2c3cc(F)ccc3nc-2c1O 101500108 CBLNUTXQOXCSIL-UHFFFAOYSA-N 328.347 2.393 0 1 EEAF CN(C)CCN1C(=O)[C@@H](c2ccccc2)Oc2ccc(CO)cc21 2356631277 XLVMAYDJKMVLLN-GOSISDBHSA-N 326.396 2.207 0 1 EEAF CC(=O)N1C[C@H]2CC[C@@](C)(C1)c1ccc(OP(=O)(O)O)cc12 29204916 CIPTXXZNGNDHLX-ABAIWWIYSA-N 325.301 2.155 0 1 EEAF O=C(N[C@H]1CCC(=O)N(CCc2ccccc2)C1=O)c1ccccc1 210468382 BBMKJZGHTCVFMA-KRWDZBQOSA-N 336.391 2.177 0 1 EEAF COc1ccc(NC(=S)N2CCO[C@H](C3=CCCN(C)C3)C2)cc1 40879915 FRVVRIWPLGATRV-KRWDZBQOSA-N 347.484 2.355 0 1 EEAF C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2)C(c2ccc(F)cc2)=N1 299830719 PFAKPKBQEIPMNO-NSHDSACASA-N 333.388 2.128 0 1 EEAF COC(=O)c1cc2[nH]c([C@H](N)Cc3cscn3)nc2cc1OC 587029760 ULCBVCVUZJGKOM-SNVBAGLBSA-N 332.385 2.057 0 1 EEAF Oc1c(Br)ccc2nc([C@H](O)C3CCOCC3)[nH]c12 586914159 VAHIBRZENCGVJJ-LLVKDONJSA-N 327.178 2.491 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)C2=O)N1 587764888 AHDHDOZWQPGGLL-RTHLEPHNSA-N 327.197 2.180 0 1 EEAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cccc(F)c41)[C@@H](C2)C3=O 587429802 WXVAYDXSZVZRKU-XTZNXHDOSA-N 325.295 2.429 0 1 EEAF CC1(C)NC(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587597162 UBOBCIOWSLYHRU-KXBFYZLASA-N 339.347 2.391 0 1 EEAF Cn1c(C(=O)NCCCCCCC(=O)O)cc2cc(C(=N)N)ccc21 13764963 UOBDPTCQTFOGAE-UHFFFAOYSA-N 344.415 2.227 0 1 EEAF Cc1nc([C@@H]2C[C@H]2c2nnc(C)s2)cc(-n2nc(C)nc2C)n1 205278611 ZCJVIWWSDNFKPN-VXGBXAGGSA-N 327.417 2.414 0 1 EEAF CC(C)(CO)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1C[C@@H]1C[C@H]21 209238178 NORCYAGQZVMECV-ONGXEEELSA-N 347.365 2.311 0 1 EEAF Cc1cc(C)n(-c2nnc(C)n2NC(=O)c2cccc(Cl)c2)n1 969875 YPVPPLBJYTVEKJ-UHFFFAOYSA-N 330.779 2.426 0 3 EEAF C[C@]1(CO)C(=O)CC[C@]2(C)[C@@H]3C[C@H]4CC[C@@]3(CC[C@@H]12)C[C@@]4(O)CO 2356382943 SYLBWUCYLWBMER-HBTXUPOTSA-N 336.472 2.294 0 1 EEAF COc1ccc([C@@H]2Oc3cc(O)c(OC)c(O)c3C(=O)[C@@H]2OC)cc1 103188269 IOJDFBLITNGTRH-WMZOPIPTSA-N 346.335 2.446 0 1 EEAF CC(C)(C)OC(=O)N[C@@H](CCCCCO)C(=O)NC1CCCC1 64573667 IJAAKSFTLOWIGO-AWEZNQCLSA-N 328.453 2.491 0 1 EEAF CC=C(C)C(=O)O[C@@H]1C=CC(=O)O[C@@H]1C=C[C@@H]1OC(C)(C)O[C@H]1C 2356618569 ZOEOJWDEJWCENT-BYNSBNAKSA-N 336.384 2.442 0 1 EEAF COc1cc2c(cc1OC)CC(Nc1cc(C)nc3ncnn13)C2 71294455 BXYKXHQSNDQXCS-UHFFFAOYSA-N 325.372 2.029 0 1 EEAF COc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 73241811 OAQFMIPANPFIIZ-WMZOPIPTSA-N 345.420 2.366 0 1 EEAF C[C@@H]1C[C@H]2OC(=O)[C@H]3C[C@H](O)CC(=C32)[C@@]12C[C@@H](c1ccoc1)OC2=O 197330421 GEQWDBTYASTNAP-LSESRZDXSA-N 344.363 2.287 0 1 EEAF Nc1nc(N2C[C@H]3CCCN[C@H]3C2)c2c(n1)C1(CCCC1)CCC2 49070280 RQAXJWHNQASXJZ-HIFRSBDPSA-N 327.476 2.395 0 1 EEAF CC(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)/C=C\c3ccccc3)C[C@H]1N2C 195143240 QKTXQEDBXGTOFH-FCQUCWCESA-N 329.396 2.410 0 1 EEAF COc1ccc(C(=O)C(=O)N2CCN(c3ccccc3F)CC2)cc1 95604082 OUGHTTHFTXCRHC-UHFFFAOYSA-N 342.370 2.366 0 3 EEAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ncc[nH]c-3n2)cc1 587244433 IABHVQQMFIGVPO-UHFFFAOYSA-N 334.339 2.444 0 1 EEAF CCOC(=O)C[C@]1([C@@H]2CCCO2)CC(=O)c2cc(C)cc(N)c2O1 587411477 JOCLWBTYXHMYHZ-YJBOKZPZSA-N 333.384 2.413 0 1 EEAF COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@@H]2[C@H]3C[C@H]4[C@H]2C(=O)[C@@H]2[C@H]4[C@H]3[C@H]21 587446978 JHPDOUQWYHKSFC-NYIRZHJZSA-N 334.371 2.138 0 1 EEAF CC(=O)C[C@]1(c2nccs2)N[C@H](C(=O)O)Cc2cccc(F)c21 962901760 LEPZJQLJUUUCFK-LRDDRELGSA-N 334.372 2.104 0 1 EEAF CN(C)CCC[C@H]1C(=O)c2ccccc2N(CCCN(C)C)C1=O 169319131 UXSBHZQYOZKOIA-INIZCTEOSA-N 331.460 2.126 0 1 EEAF CN1C(=O)C([C@@H]2C[C@@H](c3ccc(Cl)cc3)N=N2)C(=O)N(C)C1=O 169691260 DXIGRVIOBUZFPV-QWRGUYRKSA-N 334.763 2.272 0 1 EEAF NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCOC3 205888284 AWUMXXGOCPBSHQ-UHFFFAOYSA-N 327.413 2.197 0 1 EEAF O=C1C[C@@H](CN2CCN(c3ccccc3)CC2)N=C(c2ccccc2)N1 22927172 DKXYPAWNMBQJBN-SFHVURJKSA-N 348.450 2.144 0 1 EEAF O=C(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1 26010436 JEIYVTHBQUEXEF-QGZVFWFLSA-N 329.306 2.327 0 1 EEAF Cc1cc(F)ccc1NCc1cc(CO)cc(N2CCOCC2)n1 40401211 DICSMMHORCCJBW-UHFFFAOYSA-N 331.391 2.470 0 1 EEAF COC(=O)c1cc2c(cn1)[C@]13C[C@@H](OC)CC=C1CCN3CCC2 238764003 CESLPEVVJXRVQA-KXBFYZLASA-N 328.412 2.451 0 1 EEAF CN(Cc1ccco1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 96927689 LVXHTTUECVZPQW-KRWDZBQOSA-N 348.353 2.169 0 1 EEAF COc1ccc(-n2cnc3ccc(OC)cc3c2=O)c(COC=O)c1 653703930 IDTLWOOKEBLWDR-UHFFFAOYSA-N 340.335 2.076 0 1 EEAF COc1cccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 586959064 NWTMUCAPXYMSHH-MRXNPFEDSA-N 347.396 2.040 0 1 EEAF Cc1cnc(Cl)c2nc(-c3ccc(CS(N)(=O)=O)cc3)[nH]c12 586930584 SNARIRRRZMMTEY-UHFFFAOYSA-N 336.804 2.375 0 1 EEAF COC(=O)c1cccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c12 586960413 BTKOUDVKQPAVFD-SSDOTTSWSA-N 345.384 2.281 0 1 EEAF C[C@@H]1C[C@H]2OC(=O)C3=C2[C@@H](CC[C@@H]3O)[C@@]12C[C@@H](c1ccoc1)OC2=O 14765313 HUIHUOGNNSDDIV-HFFRBOFOSA-N 344.363 2.287 0 1 EEAF CN1CCc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2C1 1857533978 QAEXXNZQOHXGPE-UHFFFAOYSA-N 329.400 2.010 0 1 EEAF CC[C@H]1CCCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 8588748 KOCDEBUVJSFKKG-LBPRGKRZSA-N 338.429 2.279 0 1 EEAF CCOC(=O)[C@H](Cc1ccccc1)ON1C(=O)c2ccccc2C1=O 103177009 QIYYKNNONXCLFK-INIZCTEOSA-N 339.347 2.389 0 1 EEAF CC(C)NC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(Br)cc1 100083467 MJKWHCFOSOHITB-WDNDVIMCSA-N 338.249 2.307 0 1 EEAF CCN1CC(C)(C)OC(=O)[C@@H]1CC(=O)NCc1cccc(Cl)c1 117794284 PXBBGRKMCLGTEG-AWEZNQCLSA-N 338.835 2.372 0 1 EEAF CO[C@@H]1C=C[C@](C)(O)CCC(=O)O[C@H](C)[C@@H](C)[C@H](O)CC=C1C 2356671686 HYUFUJWFFITERP-HBPKQKSZSA-N 326.433 2.368 0 1 EEAF COc1cccc2c1[C@](O)(C(=O)O)[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 2356697564 VGWFYUHDOBADTL-VIBAHUMZSA-N 334.368 2.130 0 1 EEAF Cn1c(CN2C[C@H](O)C[C@@H]2c2nc(C3CC3)no2)nc2ccccc21 2356821701 GDURQXWPPDXXRN-IUODEOHRSA-N 339.399 2.142 0 1 EEAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1-c1cccc(N(C)C)c1 72182596 VUCCWLHBQCYEIR-UHFFFAOYSA-N 339.443 2.220 0 1 EEAF O=C(NC[C@@H]1CNCCO1)c1ccccc1-c1nc(Cl)cs1 49045974 BBLHZQWGGTWBBF-JTQLQIEISA-N 337.832 2.182 0 1 EEAF CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95869344 FWVRCTKGOFOQAK-QZTJIDSGSA-N 343.471 2.031 0 1 EEAF CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3[C@@H]2C=C2CCCC(C)(C)[C@]23O)OC1=O 145637164 FIKOOQXJBAJJSE-DOGRTVASSA-N 346.379 2.139 0 1 EEAF O=C(CSC(=S)N[C@H]1CCOC1=O)Nc1cccc(Cl)c1 96929089 WAAIOLCQCDXNRO-JTQLQIEISA-N 344.845 2.202 0 1 EEAF CCOc1ccc(CN2CCOC[C@H]2c2[nH]ncc2C)cc1CO 299851500 FRLJKYWQYHTDQM-INIZCTEOSA-N 331.416 2.183 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1ccnn1-c1ncccn1)[C@@H](C2)C3=O 587433411 XNDKOYZPNNKYHB-SJCJKPOMSA-N 334.335 2.160 0 1 EEAF CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(SC)n3)n2n1 1772633173 HHTIJHCFCZBRNC-JTQLQIEISA-N 330.417 2.091 0 1 EEAF C[C@@]1(CO)[C@H]2CC[C@@H]3C[C@@H]4C[C@]3(CC[C@@]4(O)CO)[C@@]2(C)CC[C@H]1O 13543702 NOFOAYPPHIUXJR-PPGADEDESA-N 338.488 2.086 0 1 EEAF COc1cnc2[nH]c([S@](=O)Cc3ncc(C)c(OC)c3C)nc2c1 1857559192 YWEIPUJLINKRDB-XMMPIXPASA-N 346.412 2.295 0 1 EEAF Clc1ccc(N=c2ccc(N3C[C@@H]4C[C@H](C3)N4)n[nH]2)cc1Cl 1857629692 HMNPEZCBXUTCIG-PHIMTYICSA-N 336.226 2.499 0 1 EEAF COc1cccc(S(=O)(=O)NC[C@@H](O)/C=C/c2ccccc2)c1 1857637569 RRHLUWSXAIMXFP-NKSUMMKUSA-N 333.409 2.048 0 1 EEAF C[C@@H](C(=O)Nc1ccccc1)C(=O)N[C@@H](C)NC(=O)c1ccccc1 1857267 XYKCQPPBYPGXBC-ZIAGYGMSSA-N 339.395 2.153 0 1 EEAF CC1C[C@@H]([C@H](O)c2ccccn2)C(=O)[C@H]([C@H](O)c2ccccn2)C1 3895365 AHKMRDPUGQRUPR-QZCPTFHJSA-N 326.396 2.475 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCNC[C@@]12CC[C@H]2C 58640302 RUANMLJUIUPQED-IGGJQXEISA-N 337.851 2.439 0 1 EEAF CC(C)C[C@@H](O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 28962018 FXEVKFYZRMILMZ-KRWDZBQOSA-N 348.443 2.174 0 1 EEAF C[C@H]1CN(C(=O)[C@H](C)OC(=O)c2ccc3ncsc3c2)C[C@H](C)O1 102330146 DYJSAKGFKYWUJB-SRVKXCTJSA-N 348.424 2.477 0 1 EEAF CC(C)n1cc(C(=O)O)c(=O)c2ccc(N3C[C@@H](C)N[C@H](C)C3)cc21 103282262 PLJXUCLLKRASCC-CHWSQXEVSA-N 343.427 2.467 0 1 EEAF CC(C)NC[C@@H](O)COc1ccc(C[S@](=O)CC2CC2)cc1 25967300 KALNDAPKXOYQKD-ZHRRBRCNSA-N 325.474 2.083 0 1 EEAF C[S@](=O)c1ccc(C[C@@]2(O)c3ccccc3C3=NCCCN32)cc1 28954248 VKWJGAKEACJHOH-NTKDMRAZSA-N 340.448 2.278 0 1 EEAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NO)c1 31861360 MHNQRBYYLUUMAW-UHFFFAOYSA-N 332.356 2.069 0 1 EEAF CC(=O)O[C@@H]1[C@H](OCc2ccccc2)O[C@@H](C)[C@@]12COC(C)(C)O2 13435764 HRNWKZDPMOLOIP-UOQGXUADSA-N 336.384 2.401 0 1 EEAF biogenic CC(C)(O)[C@@H](O)Cc1c(O)c(C=O)cc2c1[nH]c1cc(O)ccc12 15272372 JHHGPIIJIJILMJ-HNNXBMFYSA-N 329.352 2.219 0 1 EEAF biogenic Cn1c(CN2C[C@H](O)C[C@H]2c2nc(C3CC3)no2)nc2ccccc21 15674818 GDURQXWPPDXXRN-DOMZBBRYSA-N 339.399 2.142 0 1 EEAF biogenic O=C(N[C@H]1CNC1=O)OCCCCc1ccc(C(F)(F)F)cc1 219539113 XFGRAAXRZBSWNY-LBPRGKRZSA-N 330.306 2.253 0 1 EEAF CCN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F 82153175 MJDJYFIJCZMXHL-UHFFFAOYSA-N 344.390 2.211 0 1 EEAF O=C1N[C@H]2CCN(C(=O)C3CCCCC3)[C@H]2C(=O)N1c1ccccc1 25410312 KUVAXCRZTOURDU-JKSUJKDBSA-N 341.411 2.293 0 1 EEAF biogenic CS(=O)(=O)c1cccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 391071781 JAFUBTSAEVDSMZ-UHFFFAOYSA-N 334.328 2.471 0 1 EEAF Cc1[nH]nc(O)c1[C@@H](c1ccc(F)cc1)c1c(O)nc(S)nc1O 653765543 PVCXGKFKJODLJW-SNVBAGLBSA-N 348.359 2.233 0 1 EEAF O=C(NCCc1ccccn1)n1ncc2ccc(Cl)cc2c1=O 587652771 JGCZNCQXKDLLGL-UHFFFAOYSA-N 328.759 2.245 0 1 EEAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(O)nc(O)nc2[nH]1 587109666 RLHJEFDTMDEDOM-UHFFFAOYSA-N 340.217 2.148 0 1 EEAF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1S(C)(=O)=O)[C@@H](C2)C3=O 587449747 RHLZRBYUJLJVJJ-DXCKQFNASA-N 336.409 2.169 0 1 EEAF CC(C)=CC(=O)OC[C@](C)(O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 13334900 RPHYICPLIPKTPR-LPHOPBHVSA-N 344.363 2.357 0 1 EEAF biogenic,in-vitro Cc1cc(O)nc(-n2ncc(C(=O)N(C)Cc3ccccc3)c2C)n1 1857593480 YTFDWOKAPBXLNI-UHFFFAOYSA-N 337.383 2.257 0 1 EEAF Cc1cc(O)nc(-n2ccc(C(=O)N3c4ccccc4C[C@@H]3C)n2)n1 1857741902 ZTHQGONJXBLVPJ-LBPRGKRZSA-N 335.367 2.268 0 1 EEAF CCNC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccccc3)nc1-2 1857774921 YZLJOUGQVATWNN-UHFFFAOYSA-N 348.410 2.469 0 1 EEAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccc2nn[nH]c2c1 26385870 ALROTSWWLJVSQV-WTNDLDAUSA-N 342.355 2.379 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3[C@H]2C=C2CCCC(C)(C)[C@@]23O)OC1=O 2356556530 FIKOOQXJBAJJSE-DKEWWPDHSA-N 346.379 2.139 0 1 EEAF CC1(C)C[C@H]1C(=O)N/C(=C\CCCCSCC(=O)O)C(=O)O 26024906 CYPICWFWZCXOLE-OYUORYAFSA-N 329.418 2.105 0 1 EEAF Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(N)=O)c2n1 139665092 ZOAPGXAKZWJIHN-CQSZACIVSA-N 340.362 2.012 0 1 EEAF Cc1cc(C)cc(S(=O)(=O)n2c(=O)[nH]c3ccc(Cl)nc32)c1 45372964 WUEBMTNCIUQAAC-UHFFFAOYSA-N 337.788 2.232 0 1 EEAF COC[C@@H](NC(C)=O)C(=O)NCc1ccc(Oc2ccccc2)cc1 198324979 JSADWBLHLCZMAI-GOSISDBHSA-N 342.395 2.246 0 1 EEAF C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]1(CCC[C@@]2(C)CO[C@H](O)[C@H]21)COC3=O 238732658 KPDYSSCIJOJJHI-VCWPQFAUSA-N 348.439 2.306 0 1 EEAF Cc1noc(-c2c(O)nn3c(=O)cc(-c4ccc(Cl)cc4)[nH]c23)n1 143026061 VRWLHGPJGVRSNG-UHFFFAOYSA-N 343.730 2.407 0 1 EEAF COc1ccc(CC(=O)NC(=N)NCc2ccc(C)cc2)cc1OC 98208254 LDSKOSCPBKZJCO-UHFFFAOYSA-N 341.411 2.395 0 1 EEAF in-vitro Nc1ccnc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc12 586923110 YPRPDAWZYXUZLB-UHFFFAOYSA-N 342.424 2.045 0 1 EEAF CC1=C[C@]2(CC(=O)N1CC1CC1)N[C@H](C(=O)O)Cc1cc(F)ccc12 962890008 AHXVWCBLHWCUPB-QFBILLFUSA-N 344.386 2.166 0 1 EEAF CC(C)=CC(=O)O[C@@](C)(CO)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 13334910 AEOWACICBRVUEL-LPHOPBHVSA-N 344.363 2.357 0 1 EEAF biogenic CC(C)C1=C2[C@H](O)[C@H](O)[C@H](C)[C@@H]3CC[C@](O)(CO)C3=C[C@]2(C)CC1 13409153 YRIIKHNVPUXWFO-DUNBURPWSA-N 336.472 2.170 0 1 EEAF biogenic O=C1NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2C1=O 13683155 CKKFQWOWQVJSIP-UHFFFAOYSA-N 328.711 2.045 0 1 EEAF CC(C)(O)CC(C)(C)N=c1[nH]c(-c2cn[nH]c2)nc2cnccc12 1857617900 LCMHVCYOECYAMC-UHFFFAOYSA-N 326.404 2.188 0 1 EEAF N=c1[nH]nc(S[C@H](C(N)=O)c2nc(-c3ccccc3)cs2)s1 1857752380 XTPCJWDDDGGJIL-SECBINFHSA-N 349.466 2.393 0 1 EEAF CCOC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3C)CC1=O 101006970 XUOQREZRAUHJRW-JWWIWJDOSA-N 343.423 2.049 0 1 EEAF COc1ccc(CN2CCc3c(C)nc4ncnn4c32)cc1OC 28012816 LKUQNLGREIXRKE-UHFFFAOYSA-N 325.372 2.013 0 1 EEAF COc1ccc(-c2cc(Cl)cc(C(=O)Nc3nnn[nH]3)n2)cc1 29314467 IBSZZZFOCJBDPA-UHFFFAOYSA-N 330.735 2.176 0 1 EEAF C[C@]1(O)CC[C@@]23[C@H](CC[C@H]4[C@]2(C)C[C@@H](O)C[C@@]4(C)CO)C[C@H]1[C@H]3O 2356699065 AKJUXPHPVJRSGJ-VOTMWFHSSA-N 338.488 2.084 0 1 EEAF Cc1nc(NCc2cccc(-n3cncn3)c2)cc([C@@H]2CCCNC2)n1 39551755 ADWOUEZUHQOIDE-MRXNPFEDSA-N 349.442 2.445 0 1 EEAF COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)OC(C)(C)O 13334710 SWYQEVCUJGDGLN-AWEZNQCLSA-N 336.384 2.229 0 1 EEAF biogenic COc1ccc(C[C@@H]2COc3c(OC)c(O)cc(O)c3C2=O)c(O)c1 96923434 CGKORFWCUPPJCO-SNVBAGLBSA-N 346.335 2.255 0 1 EEAF Cc1ccc(CN2CC[C@H]3OCC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)o1 299842284 FLPJYLCEQJLHOQ-OKZBNKHCSA-N 348.443 2.369 0 1 EEAF CCOCCCN1CC[C@]2(NCCc3c(C(=O)O)cccc32)[C@H](C)C1 963130461 JBCZTNZVFDXBPO-QRWLVFNGSA-N 346.471 2.494 0 1 EEAF CCc1c(C)nc2nc(NCc3cc(OC)ccc3OC)nn2c1O 15669004 OCMHRBWILHLGLK-UHFFFAOYSA-N 343.387 2.330 0 1 EEAF C[C@H]1C/C=C/[C@@H](O)[C@@H](O)CC/C=C\c2cc(O)cc(O)c2C(=O)O1 169348248 NHAQNKDEUQPSIX-BCQDSDSXSA-N 334.368 2.118 0 1 EEAF CN1C(=O)C([C@@H]2C[C@H](c3ccc(Cl)cc3)N=N2)C(=O)N(C)C1=O 169691262 DXIGRVIOBUZFPV-MNOVXSKESA-N 334.763 2.272 0 1 EEAF NCCCCCCN(CCCCCCN)[C@H]1CSCCC1=O 13799499 HIUWIBPKSJERJX-INIZCTEOSA-N 329.554 2.401 0 1 EEAF C[C@@]1(CO)[C@H]2CCC3=C[C@H]4C[C@]3(CC[C@@]4(O)CO)[C@]2(C)CC[C@H]1O 2356325418 OKMFPXZJFUMMEY-YGJNQFLQSA-N 336.472 2.006 0 1 EEAF COC1=C(C)C(=C2O[C@@]34CCCN5CCC[C@H](O3)[C@H]5[C@H]4[C@H]2C)OC1=O 2356347874 PWWHYBLBRPZDAI-MSQDPZGJSA-N 347.411 2.311 0 1 EEAF C[C@H](C(N)=O)N(C)C(=O)c1cc2ccccc2[n+](Cc2ccccc2)c1 6442537 YFBUZYGJMOZXSA-OAHLLOKOSA-O 348.426 2.121 0 1 EEAF C[C@@H]1C(=O)N(C(=O)C2CC2)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 29481029 MMMNLJNOOSIRBL-RCBQFDQVSA-N 342.395 2.181 0 1 EEAF Cc1nn(CCO)cc1-c1nc2c(cnn2C[C@H]2CC=CCC2)[nH]1 20777414 ZZUBUTOYZFGEQR-ZDUSSCGKSA-N 326.404 2.280 0 1 EEAF Cn1cc(C2=CCN(CCCOc3ccc(C(N)=O)cc3)CC2)cn1 65407254 SXNKNXPUDWZYPL-UHFFFAOYSA-N 340.427 2.077 0 1 EEAF C[C@@H](C(=O)O)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 2356552607 WYMRLQWRNAUXEL-KKOFPSKJSA-N 347.411 2.326 0 1 EEAF CC(=CC(=O)O)C=C(C)CCCCCC[C@@H](O)[C@H](CO)C(=O)O 2356845367 OEBUJDRTQIBBBJ-LSDHHAIUSA-N 328.405 2.358 0 1 EEAF Cc1ccc(OCCCON2C(N)=NC(N)=NC23CCCCC3)cc1 72106798 MHZXFDNXEPOLRQ-UHFFFAOYSA-N 345.447 2.301 0 1 EEAF COCCc1c(C(=O)OC)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 137261229 AZSRJLQLGIJGJC-UHFFFAOYSA-N 348.162 2.075 0 1 EEAF O=c1c2c(oc3cc4c(c(O)c13)OCO4)COc1cccc(O)c1-2 14725562 YDKFDOMISGZPKH-UHFFFAOYSA-N 326.260 2.492 0 1 EEAF biogenic O=C1C[C@@]23CCCN4C[C@H]1[C@@]1(c5ccccc5N[C@@]1(C(=O)O)CC2)[C@@H]43 199802273 VMYIEWNUGAYDHM-MKCULMFZSA-N 338.407 2.021 0 1 EEAF C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1C[C@H]1OC(=O)[C@@H]3C[C@H](O)C[C@@H]2[C@H]13 238774852 GFUMUSWDMNZQDZ-UCXKJSSGSA-N 346.379 2.223 0 1 EEAF O=S1(=O)C[C@H]2c3ccccc3CCN2CN1CCc1ccccc1 96019125 QVXNSNXVWNJLEO-IBGZPJMESA-N 342.464 2.431 0 3 EEAF O=C1N[C@@H]2CCN(C(=O)C3CCCCC3)[C@H]2C(=O)N1c1ccccc1 25410310 KUVAXCRZTOURDU-HZPDHXFCSA-N 341.411 2.293 0 1 EEAF biogenic C[C@@H]1c2nc3nc(O)nc(O)c3cc2CCN1C(=O)OC(C)(C)C 587557078 GNNNFOAJISLXAU-MRVPVSSYSA-N 332.360 2.290 0 1 EEAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(N)nccc3[nH]2)cc1 586937369 CTASCDSLYUFLBI-SNVBAGLBSA-N 345.428 2.284 0 1 EEAF O=C(O)c1cc(Cl)nnc1-n1ncc2ccc(Cl)cc2c1=O 587651150 DRBQESHMMBFZNQ-UHFFFAOYSA-N 337.122 2.181 0 1 EEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nccc(Cl)c3[nH]2)c1 586939697 RMPNTCUSKKJISQ-UHFFFAOYSA-N 339.808 2.293 0 1 EEAF CC(C)[C@@]1(O)CC[C@@]2(C)C[C@H]3[C@](C)(O)C=C[C@H](O)[C@]3(C)C(=O)C[C@@H]21 166190941 GSRGIDTZMFYSKP-XQIDNCIUSA-N 336.472 2.457 0 1 EEAF OC[C@@]12C=C[C@@](Cn3cnc4c(Cl)ncnc43)(O1)c1ccccc12 200478420 HCRJTCQHHXKIIF-DLBZAZTESA-N 340.770 2.163 0 1 EEAF COC[C@@H](O)CN1CCC(=O)N(CC=C(C)C)Cc2ccccc21 205126322 AKNHWLVBRDILIB-KRWDZBQOSA-N 332.444 2.199 0 1 EEAF CC[C@H](C)Oc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 1857549090 MYLBPMJRVOKGRG-LBPRGKRZSA-N 338.371 2.487 0 1 EEAF [O-][n+]1ccc(Br)cc1-c1cc(Br)cc[n+]1[O-] 35653924 CQQYRLOKMKKBQS-UHFFFAOYSA-N 345.978 2.145 0 1 EEAF CCC(=O)[C@H](Cc1ccc(O)c(Cl)c1)NC(=O)[C@@H](O)[C@H](C)CC 2356390913 GQUNWFSEBZMTLB-HICWGWBUSA-N 341.835 2.459 0 1 EEAF CCO[C@H](C=CC=C[C@@H](C)O)CCC=CC(=O)NCC(C)(C)O 2356284700 QYFDCLLLDJSPJX-HZPDHXFCSA-N 325.449 2.108 0 1 EEAF Nc1ccc2c(-c3ccccc3)cc(CCN3CCNCC3)nc2n1 103281843 NDZWYDXLZYFLOO-UHFFFAOYSA-N 333.439 2.327 0 1 EEAF COc1ccc(OC[C@H]2SCCN2C(=O)CSC(C)=O)cc1 27559842 SVYZOJWYLZMRGR-OAHLLOKOSA-N 341.454 2.255 0 1 EEAF C[C@H]1C(=O)NC(=Cc2ccccc2)c2nc3c(O)cccc3c(=O)n21 2356324511 JKOZPSNPSQBQCF-NSHDSACASA-N 333.347 2.291 0 1 EEAF CCN1CCCC[C@@H](NC(=O)c2cc3nnn(CC)c3cc2OC)C1 26154310 JFKOBWHNHXJKBG-CYBMUJFWSA-N 345.447 2.064 0 1 EEAF C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1C(=O)c1ccco1 61906796 ZPYUBWLJKUGJKK-QGZVFWFLSA-N 328.324 2.252 0 3 EEAF COc1cc2c3c(c1O)[C@]1(CCC(=O)[C@@H](OC)C1)C[C@@H]3N(C)CC2 14687752 URYIHIIOFWGCIU-VRHCTWJESA-N 331.412 2.339 0 1 EEAF biogenic COc1ccc(-c2cc3nn(Cc4ccccc4)c(=O)n3c(N)n2)cc1 71316359 MDWZWIDQACTFCY-UHFFFAOYSA-N 347.378 2.197 0 1 EEAF COc1ccc2[nH]c(C(=O)NC[C@@H](O)c3ccc(N)cc3)cc2c1 98083314 JSKAUXUXZKOHSV-QGZVFWFLSA-N 325.368 2.222 0 1 EEAF CCOC(=O)[C@H](Cc1ccccc1)Nc1nc(N)nc(OC)c1N=O 95559606 KCRXMJQVQBIHJX-NSHDSACASA-N 345.359 2.052 0 1 EEAF CC1(C)CNC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587597765 WFBLPCBPWHNZTE-AUUYWEPGSA-N 339.347 2.249 0 1 EEAF CC(=O)N[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580593 SMIDWNNCSCMMHW-GPMSIDNRSA-N 339.347 2.391 0 1 EEAF O=C1O/C(=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)c2ccccc21 586906284 KQXLJSGNJNLFJS-OVCLIPMQSA-N 330.307 2.207 0 1 EEAF COc1cc(OC)c(OC)cc1Cc1ccc2c(O)nc(O)nc2n1 587560081 WSQUQKWLUCXVPF-UHFFFAOYSA-N 343.339 2.053 0 1 EEAF CCOC(=O)CSc1nnc2c3ccccc3n(CC(C)=O)c2n1 957856803 RNDPVMHCTFULQI-UHFFFAOYSA-N 344.396 2.224 0 1 EEAF O=C(O)c1cc2c(cc1Cl)N1CCCCC=C1NS2(=O)=O 957936831 GUBXJQDHFIVQSO-UHFFFAOYSA-N 328.777 2.162 0 1 EEAF CCn1c(=O)c2[nH]c(C34C[C@@H]5CC3C[C@@H](C5)C4)nc2n(CC)c1=O 12405351 AGPFTBRVGPRNQR-IOIRYZSLSA-N 328.416 2.004 0 1 EEAF O=C1C[C@H](c2ccccc2)n2nc(NC(=O)c3ccccc3)nc2N1 13121867 WAFXEXACUNLMEV-CQSZACIVSA-N 333.351 2.462 0 3 EEAF CC(C)C(OC(=O)NCC(=O)C(=O)NCc1cccs1)C(C)C 13559101 ABQJZYDEFXTFBB-UHFFFAOYSA-N 340.445 2.340 0 1 EEAF Cc1nn(CCO)c2nc3ccccc3c(NCCCN(C)C)c12 169325251 CRNOMGJYHAGRHR-UHFFFAOYSA-N 327.432 2.249 0 1 EEAF CCN(C)C(=O)Oc1cccc(CNC(=O)c2cccnc2O)c1 1857562369 LLXVQNIALABQKT-UHFFFAOYSA-N 329.356 2.168 0 1 EEAF Cc1ccc2c(O)c(C(=O)OC3C[C@@H]4CC[C@@H](C3)N4C)cnc2n1 100759184 WMURKFAEZXXMDJ-RYUDHWBXSA-N 327.384 2.426 0 1 EEAF C[C@]12C(=O)[C@]34CC[C@@H]5[C@](C)(CCC(=O)[C@@]5(C)CO)[C@H]3C[C@@H]1[C@@H]2C4=O 101494063 OSPJXUMTYQEFCO-IHTYGGDNSA-N 330.424 2.175 0 1 EEAF c1cnc2c(N3CCOCC3)nc(-c3ccc4cn[nH]c4c3)nc2c1 103255543 SLKIPRPJNHWGFG-UHFFFAOYSA-N 332.367 2.405 0 1 EEAF CN1C(O)=C(C(=O)Nc2ccccc2)c2ccccc2S1(=O)=O 100998212 FNTBFGQGDVXJSX-UHFFFAOYSA-N 330.365 2.186 0 1 EEAF CC(=CCO)C(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C 2356421058 XQXMDWBFCPASSF-INIZCTEOSA-N 344.363 2.357 0 1 EEAF COc1c(C=CC(=O)O)c2c(c3occc13)OC[C@@H](C(C)(C)O)O2 2356464538 NRLOCZBKDMABGW-NSHDSACASA-N 334.324 2.450 0 1 EEAF C[C@]1(CO)C[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 2356782055 COMXNNJQOALRDW-MVPCEKCOSA-N 338.488 2.086 0 1 EEAF COC(=O)c1cc(OC)c(OC)c2oc3c(c(=O)c12)CO[C@H](C)C3 2356807389 WHUYTPYGYBMSIJ-MRVPVSSYSA-N 334.324 2.058 0 1 EEAF COC(=O)[C@@H]1ON(Cc2ccccc2)[C@H](c2ccco2)[C@H]1C(=O)OC 504352227 UCQXBVHHWBPBGT-BZUAXINKSA-N 345.351 2.099 0 1 EEAF biogenic O=C(NCCOCCO)c1cccnc1Oc1ccc(Cl)cc1 39263283 XDLMBEJXRSCTGR-UHFFFAOYSA-N 336.775 2.266 0 1 EEAF Nc1nc(Cc2cccs2)nc2c1nnn2C[C@H]1CCCCO1 84672259 RRZUIOWJAIPWAH-SNVBAGLBSA-N 330.417 2.025 0 1 EEAF COc1ccc(C2=NNC(=O)C[C@H]2C)c2[nH]c(C(F)(F)F)nc12 82150535 LEPWMRXBYJXALY-ZCFIWIBFSA-N 326.278 2.450 0 1 EEAF COC(=O)Cc1cc(O)cc2oc(-c3cc(O)ccc3O)cc(=O)c12 84759278 ABRXGMGTZPPOLM-UHFFFAOYSA-N 342.303 2.292 0 1 EEAF C[C@H]1CCC[C@H](O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 238768799 BDYVVSINDMFZGR-OTOFXICPSA-N 336.384 2.342 0 1 EEAF C[C@@H](Cc1cc(C(=O)Oc2ccc(C(=N)N)cc2F)co1)C(=O)O 144381645 MYTYNVXZNFHGKO-QMMMGPOBSA-N 334.303 2.185 0 1 EEAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587164696 ZEKRLZQYJQBHCD-INIZCTEOSA-N 337.362 2.329 0 1 EEAF Nc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1N 587034722 KDDXALAMEBBUDA-UHFFFAOYSA-N 327.413 2.208 0 1 EEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CN[C@@H](C(=O)O)C3 586990034 UHRRGKIPZPDZRU-CYBMUJFWSA-N 346.342 2.251 0 1 EEAF CN(C)C(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574753 YHRWETFJZYOTCQ-KSSFIOAISA-N 327.336 2.201 0 1 EEAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N[C@@H]1CCCC[C@@H]1O 4153397 WBDPZUAJKIMBQJ-ZRGWGRIASA-N 346.427 2.246 0 1 EEAF CC[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3[C@H](C=N4)C[C@H]2N(C)C1 2356811277 BMMFLSWFLUVBSZ-HNSFDTNUSA-N 339.439 2.091 0 1 EEAF O=c1cc(CCCC2(CO)CC2)c2c(O)nc(C(F)F)nc2o1 66098700 MVKWHVDVWUXMAC-UHFFFAOYSA-N 326.299 2.321 0 1 EEAF Nc1ccc2c(c1)[nH]c1[n+]2CCN(C[C@H]2CCCN3CCCC[C@H]23)C1 199099850 WETNHZVOLPIATI-CRAIPNDOSA-O 340.495 2.118 0 1 EEAF Cc1cc(C)cc(Cn2c(=O)cc(N)n(Cc3ccccc3)c2=O)c1 96914707 ZCUHUVVJLUJGDU-UHFFFAOYSA-N 335.407 2.306 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C[C@H](C)O 587868294 YTXZVSSAKPWYSJ-QMMMGPOBSA-N 329.278 2.384 0 1 EEAF COC1=C[C@]2(C[C@H](C(=O)O)C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443406 QFGVCSDYYTWAEO-ZEWFUEFWSA-N 330.336 2.206 0 1 EEAF Nc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cn1 587006406 JARVYDSNQFZJIM-UHFFFAOYSA-N 329.161 2.617 0 1 EEAF CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)CN1 587791520 GDGLPNKOHPQIHV-AYVTZFPOSA-N 339.208 2.394 0 1 EEAF C[C@H](NC(=O)[C@H]1C(=O)c2cccc3c2N(CC3)C1=O)c1ccccc1 957743212 JNDSQNZDBSEXIO-BLLLJJGKSA-N 334.375 2.266 0 1 EEAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H]([C@H]3CCOC3)N12 962649574 XSHDKEVGRTULSE-URKNILKWSA-N 326.396 2.411 0 1 EEAF CN(C)CCNc1ccn2ncc(-c3ccc4c(c3)OCO4)c2n1 138309072 CYSKJFIYSGHELU-UHFFFAOYSA-N 325.372 2.099 0 1 EEAF CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(O)ccc1-2 1772654917 JZLWUUXWKRMXNT-ZDUSSCGKSA-N 327.340 2.045 0 1 EEAF O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2c1NCCC2 168544900 QLOVAYNRILXNAM-UHFFFAOYSA-N 336.391 2.397 0 1 EEAF O=C(NCc1ccccc1)NC1(C(=O)N2CCOCC2)CCCCC1 1344798 SXSFAGGPLXIPFF-UHFFFAOYSA-N 345.443 2.048 0 3 EEAF C[C@@H]1CN(CC(=O)N2CC3(CCC3)c3ccc(Cl)cc32)CCN1 205477299 NIPZWSCPBRUQJE-CYBMUJFWSA-N 333.863 2.402 0 1 EEAF CN1[C@@H](c2ccc(F)cn2)c2ccc3cccnc3c2NS1(=O)=O 205634349 WKXUSHRNSZMXLM-MRXNPFEDSA-N 344.371 2.460 0 1 EEAF COc1cc(OC)cc(Oc2ccccc2CN=c2[nH][nH]c(=N)[nH]2)c1 1857608521 JAVXQHRNFYFSSG-UHFFFAOYSA-N 341.371 2.061 0 1 EEAF Cc1ccc(NC(=O)CCN2C(=O)c3ccncc3C2=O)cc1F 212606 KSZHOIOVNNGUIO-UHFFFAOYSA-N 327.315 2.154 0 1 EEAF COc1cc(NCN2C(=O)C(=O)c3ccccc32)cc(OC)c1OC 4361821 PMOXSSDYTPGESZ-UHFFFAOYSA-N 342.351 2.311 0 1 EEAF COC(=O)C1=CCCC[C@@H]1S(=O)(=O)Nc1ccc(F)cc1F 28638028 ZQGJCQOPSYHHRS-ZDUSSCGKSA-N 331.340 2.358 0 1 EEAF CC1(C)CN(c2ccc(C(=O)Nc3ccccc3N)cn2)CCN1 28824481 KCQLMWYKYXFKLS-UHFFFAOYSA-N 325.416 2.104 0 1 EEAF C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCCN(C)C2)C1=O 26385371 JEBIQDWUBWGGRV-ZIAGYGMSSA-N 344.411 2.085 0 1 EEAF CN(C)CCN1C(=O)c2cccc3cc4nc(N)sc4c(c23)C1=O 28342416 CVJHVEKGIYGWFX-UHFFFAOYSA-N 340.408 2.189 0 1 EEAF in-vivo COc1c(C)cc([C@@H]2O[C@@H](C)C[C@H](CC(=O)O)O2)c2c1C(=O)OC2 2356813754 BUFKSCQYVNMSCC-YAXFVEMYSA-N 336.340 2.341 0 1 EEAF c1c(CC2CCCCC2)nnn1[C@@H]1CO[C@H]2[C@H]1OC[C@H]2NCC1CC1 2356865476 WLGSMULHXCESLR-MKXGPGLRSA-N 346.475 2.108 0 1 EEAF COc1cc(O)c2c(c1)[C@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C 14714114 SOOJTMCFQOPUHB-ROUUACIJSA-N 341.363 2.373 0 1 EEAF biogenic CC[C@@H]1C[C@@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40411747 BQIUAFQWKFLQPF-DGCLKSJQSA-N 338.795 2.047 0 1 EEAF Cn1cc(-c2cnc(N)c(C(=O)NCc3cc(F)ccc3F)c2)cn1 84689849 SOTZRVONPWMIOA-UHFFFAOYSA-N 343.337 2.273 0 1 EEAF Cc1ccc(CN2CC[C@H]3[C@@H](CN4CCN(C)CC4)OC[C@H]3C2)cc1 299842493 HCUJCUYEAPRJCU-NJDAHSKKSA-N 343.515 2.079 0 1 EEAF N[C@H](Cc1nc2cnncc2[nH]1)c1ccc(Br)cc1F 587143661 CTRPJKAZVACEOC-SNVBAGLBSA-N 336.168 2.497 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(CCO)cc2[nH]1 587230570 HYUGXFXJJQLHNG-HUUCEWRRSA-N 345.443 2.134 0 1 EEAF CC(=O)N[C@H](Cc1nc2ccc(C(N)=O)cc2[nH]1)c1ccc(C)cc1 587216523 DEMBPDKRGIVXAC-MRXNPFEDSA-N 336.395 2.390 0 1 EEAF CC(=O)Nc1nc(C)c([C@@]2(C)NCCc3nc4ccccn4c32)s1 962985543 FXEWQMMMBCEUDN-KRWDZBQOSA-N 341.440 2.467 0 1 EEAF COCCNc1nc(C)cc(-c2cc(C(=O)NC3CCCC3)on2)n1 13657596 ASRWINSETGSFEQ-UHFFFAOYSA-N 345.403 2.171 0 3 EEAF O=C(Cn1cc(C2(O)CCCC2)nn1)NC12CC3CC(CC(C3)C1)C2 169310918 DITMUZGSJHFYBE-UHFFFAOYSA-N 344.459 2.125 0 1 EEAF Cc1nn(CC(=O)O)c2nc3ccccc3c(NCCCN(C)C)c12 169328759 FRHOSGUAKQBWDD-UHFFFAOYSA-N 341.415 2.341 0 1 EEAF C[C@@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166534257 XATGNJHHABJNGX-ZDUSSCGKSA-N 339.395 2.345 0 1 EEAF C[C@@H]1C(=O)N/C(=C\c2ccccc2)c2nc3c(O)cccc3c(=O)n21 1857576421 JKOZPSNPSQBQCF-UXEDPAHQSA-N 333.347 2.291 0 1 EEAF O=C(Nc1ccc2c(c1)C(=O)NS2(=O)=O)c1cccc(Cl)c1 1857588479 WJSNUMIOITZHKE-UHFFFAOYSA-N 336.756 2.024 0 1 EEAF CC(C)N1C(=O)N(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)[C@H]2C=CC=C[C@@H]21 1857604062 RBZWLTFAHPUPNO-QHEDDYRISA-N 344.459 2.330 0 1 EEAF CC[C@@H](C)[C@H](CO)NC(=O)[C@]1(C)CON=C1c1ccc(N(C)C)cc1 4045145 NDLAXTVKKYJBGD-ACWOFJMJSA-N 347.459 2.016 0 1 EEAF CCOC(=O)c1noc2ncnc(N(CCOC)Cc3ccco3)c12 6917410 CHPXLROMQWCVJE-UHFFFAOYSA-N 346.343 2.041 0 1 EEAF O=C(O)c1ccccc1NCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 100082666 TWRXIBCJDHRIIO-CMPLNLGQSA-N 334.759 2.272 0 3 EEAF CCOC(=O)COc1ccc(Oc2nc(OC)cc(OC)n2)cc1 103280930 HSTBQKDFHVTPEC-UHFFFAOYSA-N 334.328 2.228 0 1 EEAF CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cccc(F)c1 101472975 TZMPYRLBVZANFB-GJZGRUSLSA-N 340.420 2.036 0 1 EEAF O=C(O)[C@H]1Cc2ccccc2C[C@H]1S(=O)(=O)c1ccc(F)cc1 28342885 OYIPUXHXYNUYPO-JKSUJKDBSA-N 334.368 2.468 0 1 EEAF Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccccc1 35839687 WRZHSLYKMRBSTN-UHFFFAOYSA-N 330.365 2.209 0 1 EEAF COC(=O)c1cccc(Oc2nc[nH]c(=O)c2[C@@H]2CC(C)=NN2C)c1 72177408 OUQLVXZDJINDCF-ZDUSSCGKSA-N 342.355 2.101 0 1 EEAF C[C@@H]1COCn2nncc2CC[C@@H](Cc2ccc(Cl)cc2)C(=O)N1 95664021 FGJUPZKUMCYQMS-OCCSQVGLSA-N 348.834 2.215 0 1 EEAF CCOC(=O)C[C@]1([C@H]2CCCO2)CC(=O)c2cc(C)cc(N)c2O1 587411476 JOCLWBTYXHMYHZ-QAPCUYQASA-N 333.384 2.413 0 1 EEAF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(C(C)(C)C)nc2[nH]1 586923285 IRCZLJXKSDSDTF-UHFFFAOYSA-N 347.444 2.104 0 1 EEAF N=c1[nH]cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc-2[nH]1 587225472 WYTVHDBSAZFKTI-HNNXBMFYSA-N 344.378 2.236 0 1 EEAF COc1ccc(C[C@@H]2CN=C(N)N=C2N)cc1OCc1ccccc1 13757873 SCYCHUCWKNMIIH-OAHLLOKOSA-N 338.411 2.118 0 1 EEAF COc1cc(CCc2c(OC)cc3c(c2OC)OCO3)oc(=O)c1 14589634 SWTQIVMTIQTCNF-UHFFFAOYSA-N 334.324 2.180 0 1 EEAF biogenic,in-vitro COc1c(O)c(OC)c2c3c1CCN=C3[C@@](C)(O)c1cc(O)ccc1-2 15265683 KRKVLRWJLDJLGV-IBGZPJMESA-N 341.363 2.348 0 1 EEAF CC(C)/C=C/C=C(\CO)[C@H]1CC[C@@]2(C)C[C@](O)(CC[C@H]2O)[C@@H]1CO 166357768 SQOSIRPMZMWBHD-ZNDBWOKOSA-N 338.488 2.418 0 1 EEAF CC(=O)N1[C@H](C)C=C[C@]1(Cc1ccccc1)C(=O)NCc1ccccn1 7992813 SFSRAZHUODKZIF-IERDGZPVSA-N 349.434 2.486 0 1 EEAF OCC[C@@H]1CN(Cc2ccon2)CCN1Cc1ccc(F)c(F)c1 22853548 SBFMJNQBFFXTPN-OAHLLOKOSA-N 337.370 2.022 0 3 EEAF COc1c(Cl)nc(N2CCN(C)CC2)nc1NC1CCCC1 28771293 ILJZSVIOWUNDKO-UHFFFAOYSA-N 325.844 2.245 0 1 EEAF O[C@@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3 14718132 DKRYSHHGXFYAHR-QZTJIDSGSA-N 339.347 2.290 0 1 EEAF biogenic CN[C@H]1CCN(c2nc(N)nc3c2sc2cc(OC)ccc23)C1 73162457 BFXKTIHIMJWWLN-VIFPVBQESA-N 329.429 2.233 0 1 EEAF COC(=O)[C@H](NC(=O)c1c(Cl)sc2nnsc12)C(C)C 84740490 GOTJLONEYKRWHF-ZCFIWIBFSA-N 333.822 2.334 0 1 EEAF Cc1cc2nc(C)c(CN3CCN(c4ccccn4)CC3)n2c(C)n1 43120634 URKAJHJBVOPDPZ-UHFFFAOYSA-N 336.443 2.372 0 1 EEAF CCCCN1C(=O)[C@H]2Cc3c(n(CO)c4ccccc34)CN2C1=O 148636535 WQGAPPUPMOXTJP-OAHLLOKOSA-N 327.384 2.080 0 1 EEAF C[C@@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@@H]4OC[C@](C)(CC[C@@H]1OC3=O)[C@@H]42 238772727 PBFNALPDEURXMO-XBHYZBFQSA-N 346.423 2.323 0 1 EEAF CS(=O)(=O)c1ccc(N2N=C(C(=O)O)C[C@@H]2c2ccco2)cc1 653801622 OEOWEBXVDMSEOM-CYBMUJFWSA-N 334.353 2.075 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1cnn(C)c1)O2 587391560 NIGIRTFXJHAICF-KRWDZBQOSA-N 329.356 2.036 0 1 EEAF CNS(=O)(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587408325 FQGRBCFDNAGCQS-MRXNPFEDSA-N 346.408 2.192 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1ccnn1C)O2 587392113 QSTZDUCUSUOCML-POZKEBTKSA-N 326.400 2.247 0 1 EEAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc3c(cc2[nH]1)OCO3 586948615 KHNGROQAXWILQT-UHFFFAOYSA-N 345.380 2.254 0 1 EEAF COc1cc(O)c2c(c1)/C=C\C[C@H](O)[C@H](O)/C=C/[C@H](C)[C@H](C)OC2=O 169342584 NAWYJXUUEIIVTF-BDKQLGIASA-N 348.395 2.277 0 1 EEAF CCCCNC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1OC 201488498 SQEPPDXGKSCRAT-HNNXBMFYSA-N 333.432 2.286 0 3 EEAF C[C@H]1CCC[C@@H](CCN2C(=N)NC[C@@H]2CCCCN2CCNC2=N)C1 1857751251 DWNKCFMABVEJRS-ULQDDVLXSA-N 348.539 2.422 0 1 EEAF CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2cccnc2)CC12CC2 1857764395 MUGXUBLUVDIGGY-HNNXBMFYSA-N 348.410 2.094 0 1 EEAF Cn1ccnc1CN1C[C@@H](F)[C@H](OCc2nc3ccccc3n2C)C1 2356301469 APLQYTMXDPBPMH-CZUORRHYSA-N 343.406 2.046 0 1 EEAF O=c1oc2cccnc2n1CN1CCN(c2ccc(Cl)cc2)CC1 27555974 HFFBMBLMXAWQLB-UHFFFAOYSA-N 344.802 2.423 0 1 EEAF COc1cc([C@H]2Oc3c(OC)cc(C=O)cc3[C@@H]2CO)ccc1O 15215993 FHRVWMUANLCTEE-SUMWQHHRSA-N 330.336 2.432 0 1 EEAF biogenic Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]12 74377060 JAHICCTVJSVROO-SJORKVTESA-N 342.420 2.419 0 3 EEAF O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)S(=O)(=O)N=C2O 84635782 GYLDGXDMQFYWOO-UHFFFAOYSA-N 335.316 2.477 0 1 EEAF COc1c2c(c(O)c3c1C(=O)C1=C(C3=O)[C@@H](C)O[C@H](C)C1)OCO2 14827936 XMTMJWRDSFDUBF-RNFRBKRXSA-N 332.308 2.002 0 1 EEAF biogenic COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H]3CO)cs2)c1 82085168 ZAEJHWASZJQWGQ-GFCCVEGCSA-N 348.424 2.424 0 1 EEAF CCOC(=O)[C@@]1(c2cnn(CC)c2)CC(=O)c2cc(C)cc(N)c2O1 587389531 BGKVUIYEEDVYSD-SFHVURJKSA-N 343.383 2.217 0 1 EEAF COc1ccc(-n2nc3c(N)nc(-c4ccccc4)cn3c2=O)cc1 1772658155 WFRPWJSZLZFLKI-UHFFFAOYSA-N 333.351 2.138 0 1 EEAF CC1(C)[C@@H](C(=O)NCCCN2CCOCC2)[C@@H]1c1ccc(F)cc1 1857642379 MBVYHIXMRGJYRI-DLBZAZTESA-N 334.435 2.404 0 1 EEAF Cc1cccc(-c2ccc3c(c2)C(=O)N2CC[C@H](N)[C@H]2C(=O)N3)c1C 8296873 SGOWMRMXFHKONC-WMZOPIPTSA-N 335.407 2.464 0 1 EEAF biogenic CN(C)CCC1=CN2[C@H]3C1=CC=C[C@H]3c1ccccc1S2(=O)=O 58491913 GKINOYVCIYGDGT-WMZOPIPTSA-N 328.437 2.489 0 1 EEAF Cc1c(C)c2c(c(C)c1O)[C@H](CN1CCN(CCO)CC1)C(C)(C)O2 22934282 TXFFRQXQLQRADA-INIZCTEOSA-N 348.487 2.182 0 1 EEAF COc1cc([C@H]2COc3cc(O)cc(OC)c3C2=O)cc(O)c1OC 59586909 XZKNUXAOKJLBNL-LLVKDONJSA-N 346.335 2.483 0 1 EEAF biogenic,in-vitro CC(C)[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1 28118505 GOBKVUOSMJDFOP-HNNXBMFYSA-N 329.404 2.072 0 1 EEAF CCCCO[C@H]1Oc2ccc([C@@H](O)Cn3ccnc3)cc2N(C)C1=O 28530785 CYFLQOJDVLORDZ-YJBOKZPZSA-N 345.399 2.115 0 1 EEAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)NC(C)C)CC1 2356779584 BDFKRDHRHAYJBY-RCCFBDPRSA-N 336.524 2.136 0 1 EEAF CO[C@@H]1CC=C2CCN3CC[C@@H](O)c4cc5c(cc4[C@]23C1)OCO5 14692323 NVJJCLPTDYFHCZ-NRXGSXMXSA-N 329.396 2.489 0 1 EEAF biogenic COCON1C(=O)C(CC(C)C)=N/C(=C\c2ccc(OC)cc2)C1=O 33818894 VHEKSGBQMVYECB-YBEGLDIGSA-N 346.383 2.428 0 1 EEAF O=C(N1CCN(c2ccccc2F)CC1)n1nnc2ccccc21 95576219 OWFHWMALPXHQKV-UHFFFAOYSA-N 325.347 2.361 0 1 EEAF CNC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1C(=O)NC1CCCCC1 299842071 CMOBABFQZSMOFM-MSOLQXFVSA-N 343.471 2.387 0 1 EEAF O=C1CCC[C@@H]1[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O 40392931 NRHPRGPVMBPMKF-XOBRGWDASA-N 332.359 2.304 0 1 EEAF biogenic N[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 140110043 QMBMJKIHULOECZ-INIZCTEOSA-N 346.438 2.166 0 1 EEAF CCOC(=O)[C@@H](C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1)C(C)=O 587400862 SBIDRBIMRYXSOH-SCLBCKFNSA-N 333.384 2.460 0 1 EEAF CC(C)(C)OC(=O)NC[C@@H]1CCCc2cc3c(O)nc(O)nc3nc21 587553360 GUFMUTRXMYJJTR-JTQLQIEISA-N 346.387 2.381 0 1 EEAF NC(=O)c1cccc(C[C@H](N)c2nc3cnc4ccccc4c3[nH]2)c1 587260102 NOCJASKEEVPNAH-AWEZNQCLSA-N 331.379 2.453 0 1 EEAF COC(=O)Nc1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1 587245277 SNDALMKHHJWRRG-UHFFFAOYSA-N 346.368 2.056 0 1 EEAF NC(=O)c1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963227075 MFIGZBRCPMCVAR-MSOLQXFVSA-N 347.374 2.022 0 1 EEAF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(=O)oc2cc(C)ccc12 1772635353 JWAOWICMRWKNGK-MRXNPFEDSA-N 342.351 2.292 0 1 EEAF CCc1cccc(C)c1CNC1=C2NC(C)=C(C)N2CC(C(N)=O)=C1 1772590469 LFCUFHFBXRONMU-UHFFFAOYSA-N 338.455 2.398 0 1 EEAF CCN1c2ncccc2C(=O)N(C)c2ccc(/C=C/C(=O)OC)nc21 5841738 RXPJAHIBFMUCKQ-CSKARUKUSA-N 338.367 2.411 0 1 EEAF O=C(O)Cc1ccc(OCCN2C(=O)COc3ccsc32)cc1 12358222 HRFKXSVUYVADLX-UHFFFAOYSA-N 333.365 2.180 0 1 EEAF CC(C)CN1CCN(Cc2cccc3nccnc23)C[C@@H]1CCO 19758227 PSVZCRAAAHBJED-KRWDZBQOSA-N 328.460 2.154 0 3 EEAF CN(CCn1c(O)c2n(c1=O)Cc1ccccc1C2)Cc1ccccc1 169718924 FBJMGSVFRGGMIH-UHFFFAOYSA-N 349.434 2.440 0 1 EEAF CC(C)(CC(=O)NC1CC1)CC(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 101272381 ZQTYSHNSWFSRTJ-VDEWDHSESA-N 348.487 2.127 0 1 EEAF N=C(N)Nc1cccc(C(=O)Nc2ccc(/C=C/C(=O)O)cc2F)c1 29250117 FOIPXCGYGBYXAS-FNORWQNLSA-N 342.330 2.481 0 1 EEAF CC(C)(C)c1nc(C(=O)NCc2cccc3cc[nH]c23)c(O)c(=O)[nH]1 29048179 ZUIYPJQQZGBVLU-UHFFFAOYSA-N 340.383 2.184 0 1 EEAF C[S@@](=O)c1ccc(C[C@]2(O)c3ccccc3C3=NCCCN32)cc1 28954242 VKWJGAKEACJHOH-CYFREDJKSA-N 340.448 2.278 0 1 EEAF O[C@@H]1C=C[C@@H]2O[C@H]3C[C@@H](O)[C@H]1[C@H]2C31Oc2cccc3cccc(c23)O1 2356541997 JZDCBWJRBIWSGA-FRAUWTGMSA-N 338.359 2.002 0 1 EEAF CC(C)=CCn1cc(C[C@H]2NC(=O)[C@@H](C)NC2=O)c2ccccc21 2356753971 UNYNGLCVZKLLDV-CZUORRHYSA-N 325.412 2.153 0 1 EEAF COC1=C[C@@]23CCCN2C[C@@H](O)c2cc4c(cc2C3=C1O)OCO4 2356761217 PRTXFEFIDMUDQQ-KZULUSFZSA-N 329.352 2.110 0 1 EEAF COc1c(O)ccc2c1CN1C[C@@H](O)c3cc4c(cc3C1=C2)OCO4 2356815078 COMHEMBJSWCOIA-MRXNPFEDSA-N 339.347 2.490 0 1 EEAF N[C@@H]1CCN2C(=O)c3cc(C=Cc4ccc(O)cc4)ccc3NC(=O)[C@@H]12 2356837305 LJCRXTUZYVQQAS-SJLPKXTDSA-N 349.390 2.057 0 1 EEAF CC1(N)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C1 38934486 IOARNEHBYKOHQO-UHFFFAOYSA-N 347.390 2.131 0 1 EEAF CC(C)CNC[C@H]1O[C@H](Cc2cc(-c3ccccn3)on2)CC[C@@H]1O 77263118 QJSRYBSALIWZEK-VDZJLULYSA-N 345.443 2.433 0 1 EEAF CCCCCC(=O)/N=c1\nc(SC)nc2[nH]c(-c3ccco3)nn12 49113292 HWWAJIDHSOUPND-UHFFFAOYSA-N 346.416 2.442 0 1 EEAF C[C@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H]3C[C@H]23)cc1 299857530 FJHKZEVPGYADEG-RRQGHBQHSA-N 327.428 2.410 0 1 EEAF Cc1cccc(N2CC[C@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)n1 299841830 YKCQOSGHTUHVMR-DOTOQJQBSA-N 341.411 2.351 0 1 EEAF CC(C)(C)OC(=O)N(Cc1nc2cc(N)ncc2[nH]1)C[C@H]1CCCO1 587196717 AZYYITALQFKUKD-LLVKDONJSA-N 347.419 2.456 0 1 EEAF O=C(O)CCN(CCc1nc2ccnc(O)c2[nH]1)Cc1ccccc1 587194002 WSLLHUWVRYWGGE-UHFFFAOYSA-N 340.383 2.183 0 1 EEAF CCOC(=O)c1c(C)[nH]c(-c2ccc3c(O)nc(O)nc3n2)c1C 587556066 SVHBITYYZPHTKP-UHFFFAOYSA-N 328.328 2.225 0 1 EEAF COC(=O)c1cc2[nH]c(-c3cc(N)c(N)cc3F)nc2cc1OC 587136426 FRLFCHDNUPCWFU-UHFFFAOYSA-N 330.319 2.329 0 1 EEAF CCCc1cc(CNC(=O)CC)ccc1OC[C@H](O)CNC(C)C 169335424 QIGDZOCNDHXALI-QGZVFWFLSA-N 336.476 2.403 0 1 EEAF NC1=N[C@@]2(c3ccc(F)s3)CN(c3ncccn3)C[C@H]2CS1 169703445 CSXMUKYMZOLZPU-XPTSAGLGSA-N 335.433 2.070 0 1 EEAF CCC(=O)NCCc1cn(C(=O)CCC(=O)O)c2ccc(OC)cc12 1857562549 LWEXFRVPPRHEJF-UHFFFAOYSA-N 346.383 2.224 0 1 EEAF O=C(O)C[C@H](c1cccs1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1857760782 MLBNXXBJUKKLJO-LLVKDONJSA-N 345.332 2.258 0 1 EEAF CN(Cc1cnc(N)nc1)[C@@H]1CCCN(Cc2ccccc2F)C1 20205938 ILFLCUMMLLHEFT-MRXNPFEDSA-N 329.423 2.294 0 1 EEAF Cc1cc(-c2ccc(C)c(S(=O)(=O)NC[C@H]3CCCO3)c2)on1 20580226 PRCSXFGXGTYVHG-CQSZACIVSA-N 336.413 2.416 0 1 EEAF COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1[C@@H](C2)NC[C@H]3O 13384144 PHYCJVQUJONSNZ-CHWSQXEVSA-N 343.379 2.319 0 1 EEAF biogenic CN1C[C@@H](O)c2ccc(O)c3c2[C@H]1Cc1cc2c(cc1O3)OCO2 14948081 HZTCKRFMLYABLA-DGCLKSJQSA-N 327.336 2.489 0 1 EEAF biogenic CC[C@@H]1CO[C@@H](O)[C@H]2[C@H]1C[C@@H]1N[C@H]2[C@@H](O)c2c1n(C)c1ccccc21 238741016 MRVRYGOAJGOYRP-FJFWSJDQSA-N 342.439 2.236 0 1 EEAF CCC(=O)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2F)cc1 95871680 YHLZGTGIPQUICT-QWFCFKBJSA-N 342.414 2.435 0 1 EEAF CCN1CCN(c2nnc(-c3cc(OC)ccc3OC)s2)CC1 299870277 WABRALBSUULNJT-UHFFFAOYSA-N 334.445 2.364 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(Cc1cc(OC)ncn1)[C@@H](C2)C3=O 587435512 GLFMIVICZTZUPL-UGSOOPFHSA-N 326.352 2.243 0 1 EEAF Cc1c(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)oc2c1[C@H](O)CCC2 586903912 OECBLXVDFFUWGF-SNVBAGLBSA-N 347.396 2.148 0 1 EEAF N[C@H](Cc1nc2ncc[nH]c-2n1)c1ccc(Br)cc1F 587144620 OWEKEAFDGYYFNE-SNVBAGLBSA-N 336.168 2.449 0 1 EEAF CCOC(=O)c1cnn(C2CCN(C(=O)CC3CCCC3)CC2)c1N 69950842 ZFPBCRROLFAHPL-UHFFFAOYSA-N 348.447 2.386 0 1 EEAF NC[C@H]1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)C1 13534261 MBGKVLLSSVDNHB-SIIHOXLZSA-N 338.398 2.117 0 1 EEAF O=C(CCS(=O)(=O)c1cccc2nonc12)Nc1ccc(F)cc1 212828 UXDCWDIZVHLQCS-UHFFFAOYSA-N 349.343 2.164 0 1 EEAF CCOC(=O)CN1C(=O)c2c(c(C)n(-c3ccccc3)c2C)C1=O 1649888 CVVMDDORQDGEJN-UHFFFAOYSA-N 326.352 2.253 0 1 EEAF Cc1cn(Cc2ccc(CCCCCC(=O)O)cc2)c(=O)[nH]c1=O 28470133 JAEFDWNQYNAJNM-UHFFFAOYSA-N 330.384 2.081 0 1 EEAF CNCCN1C(=O)[C@@H](O)[C@@H](c2ccc(O)cc2)Sc2ccccc21 26968602 ZTRZZXJIQHVVGS-DLBZAZTESA-N 344.436 2.153 0 1 EEAF CCN(CC)[C@H](C)CN1C(=O)C[C@]2(CCCc3ccc(O)cc32)C1=O 27563967 BRHMGFURGFEIBN-VLIAUNLRSA-N 344.455 2.456 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3C4=C(CCC[C@]4(C)CO)C[C@@H]23)OC1=O 2356669699 KYSWLLSZOWOOGF-PQIIZBDJSA-N 346.379 2.141 0 1 EEAF COC(=O)C(C)=C1C(=O)O[C@@]2(C)[C@H]([C@H]1OC(C)=O)C(C)(C)[C@H]1C[C@H]12 2356708525 SGOTZEIKTUEQEA-ZXGDMXOLSA-N 336.384 2.015 0 1 EEAF O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc(-c2ccccn2)[nH]n1 2356756891 YZLAPTFMZIWLPD-KSSFIOAISA-N 339.443 2.466 0 1 EEAF CC(=O)OCCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21 26718628 YSBXMABVIRRYOG-UHFFFAOYSA-N 348.362 2.299 0 1 EEAF COc1cc(C(c2ccc(O)c(OC)c2)n2cncn2)ccc1O 40933719 COEBLOLVVKRFEF-UHFFFAOYSA-N 327.340 2.344 0 1 EEAF CCO[C@@H]1O[C@@H]2CN[C@@H]3C[C@@H](OC)C=C[C@]23c2cc3c(cc21)OCO3 14679295 DWXXGLPEQMCHLG-JZQXSHSJSA-N 345.395 2.034 0 1 EEAF biogenic CCc1nc(C(=O)N[C@@H](C)C(=O)OCCc2ccccn2)cs1 82070872 WXWPVMCEVJVFMA-NSHDSACASA-N 333.413 2.005 0 1 EEAF O=S(=O)(Nc1nccnc1Nc1cccnc1)c1ccccc1 299820045 FEMPBHKYEKLSBS-UHFFFAOYSA-N 327.369 2.416 0 1 EEAF O=C(C[C@@H]1CCNC1)Nc1ccc(C(=O)Nc2nccs2)cc1 299871199 YASYZUJSAWTGNM-NSHDSACASA-N 330.413 2.334 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)NC[C@H]2C)N1 587793078 JMVWLUKVFKVSSZ-KEMUVXCRSA-N 341.224 2.474 0 1 EEAF COC(=O)c1scnc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454536 YMEWVNOVCIMKKP-OTYXRUKQSA-N 331.349 2.427 0 1 EEAF COC(=O)c1ccc(-n2c(O)cc(C)c2O)c(O[C@H]2CCOC2)c1 587925459 IGBILHKZRFFWHL-LBPRGKRZSA-N 333.340 2.151 0 1 EEAF Cc1ccc(-n2cc(COC(=O)[C@@H](N)Cc3ccccc3)nn2)cc1 1772651118 TZQPUBNRMQNCDV-SFHVURJKSA-N 336.395 2.189 0 1 EEAF CC1(C)C[C@@H](O)C[C@]2(C)[C@@H]1[C@H](O)C[C@@]13C[C@@](O)(CC[C@@H]21)[C@](C)(O)C3 1772602372 AXWMSRWNBVURRA-VXUWONBCSA-N 338.488 2.227 0 1 EEAF CN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1 13864518 SVRQHLJTMFHCPE-UHFFFAOYSA-N 328.397 2.280 0 1 EEAF Cc1ccc(OCc2cc(C(=O)NC[C@H]3COCCO3)no2)cc1C 14951510 ILVDVXLUCLYJNH-INIZCTEOSA-N 346.383 2.016 0 3 EEAF O=C(O)c1cc(C(=O)O)c2cc(I)ccc2n1 26379007 YUIXTMDZGFKCOM-UHFFFAOYSA-N 343.076 2.236 0 1 EEAF CCn1nc(N2CCCC2)nc1/C=C/c1nc2nc(C)cc(C)n2n1 210633138 SORCAMPMGWCYHG-BQYQJAHWSA-N 338.419 2.123 0 1 EEAF C[C@]1(CCC2=CC(=O)OC2)C(=O)CC[C@@]23COC(=O)C2=CCC[C@H]31 14615251 FKCQZDKJLSFHKP-GDIGMMSISA-N 330.380 2.499 0 1 EEAF biogenic CC1(C)O[C@@H]2O[C@H](C(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 263599075 INTCVMYMFRDPEA-JKJDWNRSSA-N 334.368 2.266 0 1 EEAF C[C@@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O 653741256 WSRQDGKCDIHPPB-DRTCJTGUSA-N 348.439 2.305 0 1 EEAF CN(C)CCNC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 653808329 GWBAPBRZYPZSLC-UHFFFAOYSA-N 329.183 2.391 0 1 EEAF COC(=O)c1ccc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2n1 587793184 KEYWLLGWNKQJCP-UHFFFAOYSA-N 341.323 2.241 0 1 EEAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nccc(N)c3[nH]2)cc1 586939965 VKYHTESXMYWPEB-SNVBAGLBSA-N 345.428 2.284 0 1 EEAF COC(=O)c1cc2[nH]c(-c3nnn(C)c3C(F)F)nc2cc1OC 587127973 CUOZGMWYSWLUEF-UHFFFAOYSA-N 337.286 2.091 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nonc2N)N1 587744075 GEXHACOMHMQMGU-IYQDAUBNSA-N 341.184 2.351 0 1 EEAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(F)cnc3[nH]2)cc1 586925682 ISVQOPABSQJCAS-UHFFFAOYSA-N 347.371 2.316 0 1 EEAF CCN(CC)C(=O)[C@H]1CC(c2cc(OC)c(OC)c(OC)c2)=NO1 5031131 BRRNKTHOOYPCFQ-OAHLLOKOSA-N 336.388 2.074 0 1 EEAF CCOC(=O)C1(Cc2cccc(F)c2)CCN(C(=O)COC)CC1 11760752 XXSDXQJTLUQXSZ-UHFFFAOYSA-N 337.391 2.187 0 3 EEAF Cc1ccc([C@@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)N2CCOCC2)N3C)cc1 100728094 SAGKYUWOOFCCBT-CADBVGFASA-N 328.456 2.420 0 1 EEAF C[C@]12[C@H]3C[C@@]4(O[C@H](c5ccoc5)C[C@@H]4[C@H]1C[C@H]1C[C@H]2C(=O)O1)C(=O)O3 2356490937 ZUORJPZGFYNDHW-ABXSCJFGSA-N 344.363 2.383 0 1 EEAF COC(=O)[C@@H]1[C@@H](OC(=O)C=Cc2ccccc2)C[C@H]2CC[C@H]1N2C 2356648046 MQIXMJWNEKUAOZ-CBZIJGRNSA-N 329.396 2.267 0 1 EEAF COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2C(=O)CC2CC2)c1 61906587 GHFZFGQQDIADOV-SFHVURJKSA-N 332.400 2.433 0 3 EEAF COc1cccc2cc(C(=O)N3CCN(C4=CC=C[CH]N4)CC3)oc12 2356851570 BUECSNZOYWKKCD-UHFFFAOYSA-N 338.387 2.362 0 1 EEAF Cc1cc2nnc(SCC(=O)Nc3ccccc3Cl)n2c(N)n1 39982221 AZZZWELZTICRDR-UHFFFAOYSA-N 348.819 2.399 0 1 EEAF CC1=CC[C@H](OS(=O)(=O)O)[C@@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12 238739656 OWJMDQVDMYDESK-CDWXYHGHSA-N 330.402 2.118 0 1 EEAF CN(CCNC(=O)n1c(=O)oc2ccccc21)Cc1ccccc1 653796370 ASRPYJSBWMSQFM-UHFFFAOYSA-N 325.368 2.284 0 1 EEAF COC(=O)c1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1OC 586893277 VCFLQRQQGVEPTH-CQSZACIVSA-N 328.324 2.145 0 1 EEAF CC(C)(C)OC(=O)N1CC[C@H]2c3cc4c(O)nc(O)nc4nc3C[C@H]21 587557925 MVGQWQDKKZVMRC-QPUJVOFHSA-N 344.371 2.085 0 1 EEAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cnccc3[nH]2)cc1 586941893 XWQGOIODFROOIL-CLFYSBASSA-N 328.397 2.357 0 1 EEAF CCn1cc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(=O)OC)cn1 587639207 PFYSDTZDHGDONY-UHFFFAOYSA-N 341.323 2.105 0 1 EEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1 587229366 ANGISAKCBVQRPD-RYUDHWBXSA-N 345.399 2.298 0 1 EEAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H](C(=O)O)[C@@H](C(=O)O)C1 587488994 LWDPIHTUZRFTKO-RYUDHWBXSA-N 348.351 2.244 0 1 EEAF Cc1ccc2oc(=O)cc([C@H](CC(=O)O)c3c(O)n[nH]c3C)c2c1 1772577083 PHLJUDNXUQSGSB-LBPRGKRZSA-N 328.324 2.445 0 1 EEAF O=C1CC(C[C@H](O)[C@@H]2CCCC[C@H]2O)CC(=O)N1Cc1ccccc1 1616370 UBXPBIRQRWKPMB-KURKYZTESA-N 345.439 2.254 0 1 EEAF Cc1csc2nc(CNS(=O)(=O)c3cccc(F)c3)cn12 4956653 HFYUQULGBTYFFJ-UHFFFAOYSA-N 325.390 2.322 0 1 EEAF C[C@@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O 103231529 HQNLILIULUACEP-GSVOUGTGSA-N 342.927 2.025 0 1 EEAF O=c1c(Br)cc(Br)c2n1C[C@@H]1CNC[C@@H]2C1 101031804 UIRFWXCFBPYLDL-BQBZGAKWSA-N 348.038 2.080 0 1 EEAF Cc1cccc(C)c1OC[C@@H](C)Nc1nc(N)nc2c1CCNC2 67642325 DJERMENRYNCZBU-CYBMUJFWSA-N 327.432 2.201 0 1 EEAF COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@@H](NCC3)[C@H]2O 2356866939 VPMBQPYJUGPLSW-SJORKVTESA-N 343.379 2.319 0 1 EEAF CC[C@H](C)Oc1ccc(CCCON2C(N)=NC(N)=NC2(C)C)cc1 45193368 QMJDINNMDHOUBT-ZDUSSCGKSA-N 347.463 2.409 0 1 EEAF CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4cccnc4)cc32)N=C1N 95605573 IVIUBEQESHCKKY-LJQANCHMSA-N 336.395 2.292 0 1 EEAF Nc1ncnc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc12 587220967 DVEWCWKKVOTSMB-CQSZACIVSA-N 344.378 2.455 0 1 EEAF COC(=O)c1ccnc2[nH]c(C3(NC(C)=O)CCC(C)CC3)nc12 587233703 AIGVJGDJOZRCFR-UHFFFAOYSA-N 330.388 2.286 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1nc(Cl)cnc1N)[C@@H](C2)C3=O 587419265 DLBXDGMNVYWOPN-XXFAHNHDSA-N 331.759 2.384 0 1 EEAF Cc1c(O)ccc2c1[C@@H](c1nc3cccnc3s1)N[C@H](C(=O)O)C2 963475003 YNDCCVZTKKVBPL-FZMZJTMJSA-N 341.392 2.394 0 1 EEAF CC(C)n1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)nn1 149408476 CFPBGXJXTBQODU-UHFFFAOYSA-N 327.392 2.388 0 1 EEAF COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1F 5891479 AQQUQMYXZNSCJX-UHFFFAOYSA-N 328.351 2.257 0 1 EEAF CCOC(=O)/C=C1/C(=O)N(CC(=O)OCC)c2ccc(Cl)cc21 169328922 NXEQZKILGIBWFH-XYOKQWHBSA-N 337.759 2.196 0 1 EEAF CCS(=O)(=O)Nc1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166984898 LRHNZGRKFUTYOT-UHFFFAOYSA-N 346.412 2.391 0 1 EEAF C[C@H]1CC[C@H](CN2CCN(c3cnnc(O)c3Cl)CC2=O)CC1 1857577924 BTYNLTPVEZQJCU-HAQNSBGRSA-N 338.839 2.311 0 1 EEAF O=C1C[C@@H]2OC=C[C@@H]3CN4CC[C@]56c7ccccc7N1[C@@H]5[C@@H]2[C@H]3C[C@@H]46 2356384107 AVYUKZRROFQFPA-UJTRETDWSA-N 334.419 2.296 0 1 EEAF CCOC(=O)c1cccn1S(=O)(=O)c1c(N)cccc1Cl 6403762 XYUMNCQOJZJPQY-UHFFFAOYSA-N 328.777 2.137 0 1 EEAF O[C@@H](CNc1ccc(Cl)cc1)Cn1nnnc1-c1ccccc1 6822322 WUYYUMAJVBCFJX-HNNXBMFYSA-N 329.791 2.467 0 1 EEAF O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cn1ccnc1 103173279 WTLPNCACODFLJD-UHFFFAOYSA-N 332.363 2.336 0 1 EEAF C[S@](=O)c1ccc(C[C@]2(O)c3ccccc3C3=NCCCN32)cc1 28954244 VKWJGAKEACJHOH-YADARESESA-N 340.448 2.278 0 1 EEAF CO[C@@]12C[C@@]3(CC[C@H]1O)CC([O])=C1c4c(cc(O)c(c43)O2)C=CN1C 2356316358 ZYBUTPXCKMPZSG-UPRAQXHNSA-N 342.371 2.329 0 1 EEAF Cc1noc2ncn(CC(=O)c3c(C)n(C)c4ccccc34)c(=O)c12 21647626 QLEKKFLAYSAIIZ-UHFFFAOYSA-N 336.351 2.376 0 1 EEAF CCS(=O)(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 28522782 WCPWGYRDASAKSH-UHFFFAOYSA-N 343.408 2.276 0 1 EEAF COC(=O)CCNC(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1 13305188 VALNLVQKQKEOLC-UHFFFAOYSA-N 339.351 2.212 0 1 EEAF biogenic CCC[C@H]1CC2=C(OC=CN2)[C@@]2(NC(=O)CC(=O)O)C=CCC[C@H]12 87723425 QUMPRQDHFWLVOC-VEVIJQCQSA-N 332.400 2.405 0 1 EEAF CC(C)c1nc(C2=NCc3ccnc(NC4CCOCC4)c32)n[nH]1 96176051 SVACVADHMHTXMS-UHFFFAOYSA-N 326.404 2.265 0 1 EEAF CCc1ccc([C@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404429 QCZPTUAYENZUHX-IBGZPJMESA-N 327.380 2.311 0 1 EEAF Cc1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2c1 586929934 JMQQLOCRDFHMRG-UHFFFAOYSA-N 331.397 2.406 0 1 EEAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3nccc(N)c3[nH]2)cc1 586951323 WQSZMTZSXZWXII-UHFFFAOYSA-N 331.401 2.357 0 1 EEAF COc1ncc(C)cc1[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963490564 KUJCUHMIDFMOGT-IFXJQAMLSA-N 342.395 2.275 0 1 EEAF COC(=O)[C@H]1CCCCC[C@@]12NCCc1ccc(C(=O)N(C)C)cc12 962925945 RMJFGGCMEJFNDH-OXQOHEQNSA-N 344.455 2.483 0 1 EEAF CN1CCN(C(=O)c2cn(Cc3ccc(C(C)(C)C)cc3)nn2)CC1 1772613331 RZJFQRKARQUVCR-UHFFFAOYSA-N 341.459 2.012 0 1 EEAF O=C(O)c1cc(=O)c2ccc3c(c2[nH]1)S(=O)(=O)c1ccccc1-3 169319935 CXDSARGZRAPKQG-UHFFFAOYSA-N 327.317 2.040 0 1 EEAF CCc1ccc(NC(=O)N2C[C@@H]3C[C@H](C(=O)NC(C)C)[C@H](C2)O3)cc1 1857588429 LUINNPOWWBZICB-ULQDDVLXSA-N 345.443 2.395 0 1 EEAF C/C(Nc1ccc(S(N)(=O)=O)cc1)=C1\C(=O)Nc2ccccc21 102900452 ZQAZHQLWCKQXTD-XNTDXEJSSA-N 329.381 2.129 0 1 EEAF CCOC(=O)[C@@H]1CN(C)[C@H](C)[C@H](c2ccccc2)[C@H]1C(=O)OCC 28464669 PLIBPCZWAZTVBS-DZUCGIPZSA-N 333.428 2.463 0 1 EEAF C[C@@H](Cn1ccnc1)Cn1nnc2ccc(Br)cc2c1=O 26391238 GEYPUADDQVCXBW-JTQLQIEISA-N 348.204 2.087 0 1 EEAF Nc1sc(-c2ccccc2)cc1C(=O)NCCN1CCOCC1 103127291 VHGZSFRECMRXFS-UHFFFAOYSA-N 331.441 2.059 0 3 EEAF C[S@](=O)c1ccc(C(=O)c2ccc3n2CCC[C@@H]3C(=O)O)cc1 25991888 RELMGKYHTMTUJD-ZAMGYDSWSA-N 331.393 2.419 0 1 EEAF COc1cc(Cc2cc(OC)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O 28818341 GLGQYPMWGOCLAB-UHFFFAOYSA-N 348.307 2.102 0 1 EEAF C[C@H]1OC(=O)c2c(O)cc(O)cc2CC(=O)CCCCC=C[C@H]1O 2356849231 PUBJBUSNXLSOQM-IAQYHMDHSA-N 334.368 2.246 0 1 EEAF O=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)O[C@H]1CNCC[C@@H]21 73198643 LYCCDSLTRIMYHD-RDJZCZTQSA-N 333.384 2.496 0 1 EEAF O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 73138712 JGQXCNICLLOZKI-UHFFFAOYSA-N 335.360 2.156 0 1 EEAF CN1C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1c[nH]c2ccccc12 13429879 XTHCOAZHAYZMDV-OALUTQOASA-N 347.418 2.279 0 1 EEAF biogenic CCC1=N[C@@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3C[C@H]1[C@H]2CO3 85508460 BIGABVPVCRHEES-MKKBAJBDSA-N 326.396 2.491 0 1 EEAF biogenic,in-vitro CCc1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)cs1 82074316 GPCZJWZKTOKSGB-GFCCVEGCSA-N 334.397 2.105 0 1 EEAF CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C)c2n1 95562150 JZNKOXKLAMPREP-CYBMUJFWSA-N 326.404 2.158 0 1 EEAF O=C(O)Cn1c(=O)c(CCc2ccc(O)cc2)nc2ccc(F)cc21 299854910 AOQAGJAWFJZABS-UHFFFAOYSA-N 342.326 2.111 0 1 EEAF CN(C)C(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)c2ccccn12 299850921 CXXLCAOECANMBW-UHFFFAOYSA-N 343.408 2.107 0 1 EEAF C[C@]12C(=O)O[C@@H]3C[C@H]4c5occc5C(=O)C[C@H]4[C@]4(CC[C@@]1(O)OC4)[C@@H]32 473128537 CBUZTSOSSFLWTE-SZUPUXQWSA-N 344.363 2.016 0 1 EEAF CCOC(=O)C[C@@]1([C@@H]2CCCO2)CC(=O)c2cc(C)cc(N)c2O1 587411475 JOCLWBTYXHMYHZ-MAUKXSAKSA-N 333.384 2.413 0 1 EEAF CNC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587743779 PPKOBMMKJRLLDI-RTHLEPHNSA-N 329.213 2.474 0 1 EEAF CCOC(=O)c1ccc(Cc2ccc3c(O)nc(O)nc3n2)cc1 587559428 ICWVPOSTOCMYQX-UHFFFAOYSA-N 325.324 2.204 0 1 EEAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ncc[nH]c-3n2)C(F)(F)C1 587131698 BMHDOKFDMODXJE-MRVPVSSYSA-N 325.319 2.274 0 1 EEAF c1cncc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)c1 1772588722 HQQMYFHUDLBTRK-UHFFFAOYSA-N 333.399 2.380 0 1 EEAF CCCC(CCC)C(=O)N[C@H]1Cc2ccc(S(N)(=O)=O)cc2C1 13686389 XBYJCVDSFWJBSM-HNNXBMFYSA-N 338.473 2.134 0 1 EEAF in-vivo COc1ccccc1Nc1nc(NC[C@H](C)O)nc(N2CCCC2)n1 14968032 LEFTURAFKSDISD-LBPRGKRZSA-N 344.419 2.017 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Cl)c1 169366918 KVTCHDSYFPESLK-VMCMIOBHSA-N 342.782 2.038 0 1 EEAF CCC[C@H]1CC2=C(OCC=N2)[C@@]2(NC(=O)CC(=O)O)C=CCC[C@@H]12 169692898 BSBXGNLUQCQTGK-ZJNRKIDTSA-N 332.400 2.415 0 1 EEAF CC/C=C/C(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 169721740 CDBVAWPUSWVCEM-ONEGZZNKSA-N 348.424 2.194 0 1 EEAF COC[C@@H]1NC(=O)[C@@H](C(=O)Nc2ccc(C3CCCCC3)cc2)C1=O 169727314 DHOFOEWETVBVCF-JKSUJKDBSA-N 344.411 2.003 0 1 EEAF CC[C@@H](C)N(C(=O)CNc1nnnn1-c1ccccc1)[C@H](C)CC 201451311 PVRHXCVIMCNCBM-ZIAGYGMSSA-N 330.436 2.500 0 3 EEAF O=C1N(Cc2ccc(F)cc2)C[C@@H]2CN(Cc3cccnc3)CCN12 2356415796 XHNJOFJZQDYOBE-SFHVURJKSA-N 340.402 2.343 0 1 EEAF COCCNS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 2468051 NLEROHYDOCGQLM-UHFFFAOYSA-N 331.397 2.155 0 1 EEAF Cc1cccc(N2CCN(CCOc3ccccc3C(N)=O)CC2)c1 103203955 SKPGLEVLOKBGNX-UHFFFAOYSA-N 339.439 2.295 0 1 EEAF COC(=O)C[C@H]1c2ccccc2N=C(N2CCOCC2)N1C(C)C 27081659 XKCRSIPYWCMFEZ-INIZCTEOSA-N 331.416 2.335 0 1 EEAF CCOC(=O)c1sc2nc3ccc(C(=O)OC)cn3c(=O)c2c1C 27994821 NQSNDQWHMOFKRS-UHFFFAOYSA-N 346.364 2.181 0 1 EEAF Cc1ncc(C)n2nc(CCc3cn(C)c(-c4nccs4)n3)nc12 117876014 JLPOJHQJBQSWON-UHFFFAOYSA-N 339.428 2.383 0 1 EEAF CC(C)(C)NC[C@H](O)COc1ccc(OCCn2cccn2)cc1 27556629 AJATVCKSUBEDCO-HNNXBMFYSA-N 333.432 2.090 0 1 EEAF CC(C)=CCc1ccc(CC(P(=O)(O)O)P(=O)(O)O)cc1 64415814 JFSSIONSOZTJHG-UHFFFAOYSA-N 334.245 2.419 0 1 EEAF COc1cccc(C(=O)C[C@H](NC(=O)C2CCCCC2)C(=O)O)c1 26664296 SPCFDKUZYFYJKH-HNNXBMFYSA-N 333.384 2.418 0 1 EEAF O=S(=O)(O)CCN1N/C(=C/C=C/c2ccccc2)SC1=S 45246015 COWFXXBORYEJQI-JHLWKMQHSA-N 342.467 2.267 0 1 EEAF COc1cc2c(cc1O)C[C@H]1c3cc(OC)c(O)cc3CCN1C2=O 238753487 JSCUGJMNDBGSTI-AWEZNQCLSA-N 341.363 2.411 0 1 EEAF CC[C@@H]1[C@@H](OC)[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5O)N31 255238545 MVWWXKRPAYAJPP-NDRURCLRSA-N 340.467 2.004 0 1 EEAF C[C@@H]1COc2c(CNC3CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 473245150 WFDZWMZRAOFJDE-MRVPVSSYSA-N 332.331 2.044 0 1 EEAF Cc1nn(Cc2nc3ccc(C(N)=O)cc3[nH]2)c(C)c1Br 586978947 MDTJNBUDYSPWPR-UHFFFAOYSA-N 348.204 2.286 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1 587229365 ANGISAKCBVQRPD-NWDGAFQWSA-N 345.399 2.298 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cnc3[nH]cnc(Cl)c2-3)N1 962922242 PMGNIRWXEPKTKR-GWCFXTLKSA-N 346.749 2.390 0 1 EEAF C/C(=C\C(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C)CO 13460716 ZANSSGQMUOIRJB-RFKZRZAASA-N 344.363 2.357 0 1 EEAF biogenic,in-vitro Cc1c[nH]c2ncnc(O[C@H]3CC[C@H](N4C[C@H]5C[C@@H]4CO5)CC3)c12 1857647651 MDSYPQCLEJWKME-KBUPBQIOSA-N 328.416 2.429 0 1 EEAF C[C@H](NC(P(=O)(O)O)P(=O)(O)O)c1cccc2ccccc12 13643240 MGNVIMQLZSTUGX-VIFPVBQESA-N 345.228 2.129 0 1 EEAF CCCCCC[C@H]1C(=O)N[C@@]2([C@@H](O)[C@@H]3C=CCCC3)C(=O)O[C@@]12C 3986279 KAZLTNBVAYOUNF-MUAMBBPCSA-N 335.444 2.474 0 1 EEAF in-vitro CC(C)[C@@H]1[C@H](O)[C@H](O)[C@@H]2[C@@H]3OCC4=C3[C@](C)(CC[C@H]4O)CC[C@]12C 2356356939 FEEKQAGOFRYSCP-XAVQIYMTSA-N 336.472 2.267 0 1 EEAF Nc1n[nH]c(NCCN2CCOCC2)c1-c1nc2ccccc2s1 114400261 QNDPOAVFERXLAF-UHFFFAOYSA-N 344.444 2.013 0 1 EEAF Nc1ncnc2c1ncn2[C@H]1CC[C@H](OCc2ccccc2)C[C@@H]1O 26574826 KQWZLGLYTXBCFX-KKUMJFAQSA-N 339.399 2.080 0 1 EEAF CO[C@@H]1O[C@H](O)[C@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5C[C@@H]([C@@H]13)N4[C@@H]2C 2356709371 ALUUTSZMHKEPEI-LAFZBBBPSA-N 340.423 2.411 0 1 EEAF O=C(O)c1ccc(-c2cc(Cl)cc3c2NCNS3(=O)=O)cc1 84712076 JJNVLWJFILKXFR-UHFFFAOYSA-N 338.772 2.367 0 1 EEAF COC(=O)[C@H]1CNCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525517 NRPJYCZEPGXDKQ-DNVCBOLYSA-N 329.396 2.052 0 1 EEAF CN(C)S(=O)(=O)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 587089228 MHKLBWPMNAPHNH-UHFFFAOYSA-N 325.287 2.170 0 1 EEAF FC(F)(F)c1ccn(Cc2cc(-c3nc4cnncc4[nH]3)no2)n1 587117618 GBNMTXIOOARVLD-UHFFFAOYSA-N 335.249 2.272 0 1 EEAF CC(=O)[C@@H]1C(=O)[C@@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O 888075786 TZCOBUQKVNFIQF-WNOSKKOXSA-N 336.391 2.201 0 1 EEAF CC(=O)CC(=O)NCCN=c1c2c([nH]c3ccccc13)CCCC2 1772605565 OIGPCPVWVSFAGX-UHFFFAOYSA-N 325.412 2.043 0 1 EEAF Cc1ccccc1[C@@H](C(=O)NCc1cccnc1N(C)C)N(C)C 12574345 VYLWYSXGKRDDKE-KRWDZBQOSA-N 326.444 2.375 0 1 EEAF COc1ccc([C@](C)(F)Cn2cc[nH]c2=O)cc1O[C@H]1CCOC1 13438948 IDRCNGCIZNSRDJ-SUMWQHHRSA-N 336.363 2.238 0 1 EEAF COc1ccc([C@H](CCO)N2C(=O)c3ccccc3C2=O)cc1OC 13757414 NTWLARBDJFXJNZ-HNNXBMFYSA-N 341.363 2.424 0 1 EEAF CC(=O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CCCCC2)no1 15673637 SEMFAUKXYAIIRM-GJZGRUSLSA-N 347.459 2.484 0 1 EEAF biogenic OCCNC1=Nc2ccc(Cl)cc2C(=S)N2CSC[C@@H]12 18115064 WSAUEXHFRVKMTF-NSHDSACASA-N 327.862 2.016 0 1 EEAF COC(=O)N1CC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 168466805 YEMGRNZLFUZGTR-NSHDSACASA-N 338.371 2.273 0 1 EEAF CC(C)[C@@H]1C[C@H](O)[C@]2(C)C[C@H]3[C@@H]([C@@H](O)C[C@H]3CO)[C@](C)(O)CC=C12 2356334635 KRGUNUMKPQQOQA-VPCMRZIQSA-N 338.488 2.106 0 1 EEAF COc1cc([C@H](OC)[C@@H]2OC[C@@H](O)[C@@H]2c2ccc(O)cc2)ccc1O 2356411202 YNZAIYQWLLYYIN-XGXHKWSGSA-N 346.379 2.337 0 1 EEAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC(=O)N(N)C2=O 6482529 HDOMUOSSPZHKBI-HVVPCYGRSA-N 332.444 2.149 0 1 EEAF CCN(CC)CCNc1n[n+](=O)c2ccc(C(C)(C)C)cc2n1O 28867126 XBFHLEAUHIOXMH-UHFFFAOYSA-N 334.444 2.239 0 1 EEAF CC(C)(Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(CO)c1 26727780 YXCUUNAFBWDDQN-SFHVURJKSA-N 331.412 2.234 0 1 EEAF CC[C@@H](C)Oc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC 28014204 MLUFWQXJVNOYHL-SNVBAGLBSA-N 332.404 2.426 0 1 EEAF CC[C@@]1(O)CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1ccccc14 85997438 DGKIJZKKTDPACC-CTNSEHHHSA-N 340.423 2.026 0 1 EEAF CCNC(=S)NCCCCn1nc(-c2ccccc2)ccc1=O 27208898 DTLQAABXFVHPCR-UHFFFAOYSA-N 330.457 2.175 0 1 EEAF CC(=O)OCC(C)(C)C(=O)C[C@H](O)C=CC=CC(C)(C)[C@@H](C)O 2356810195 AXDICNFRLXYFCS-UKRRQHHQSA-N 326.433 2.415 0 1 EEAF CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCc3ccc(F)cc3)n2)C1 82203504 BDHKIKSJWWDNIA-MRXNPFEDSA-N 343.406 2.251 0 1 EEAF CC1=C2C=C3[C@@H](O)C[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3[C@@H](O)[C@]2(O)OC1=O 35846111 STNYLQGVPSNGGH-QQPVWDQJSA-N 348.439 2.063 0 1 EEAF COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3C=[N+]1CC2 85618082 GPWBIAYJTQQLOL-OAHLLOKOSA-O 326.372 2.400 0 1 EEAF in-vitro COc1ccc2c3c1O[C@@H]1C=C([C@H](C)O)C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 299806458 QWIOCLNAHOMHPC-FGEKBNQPSA-N 327.424 2.281 0 1 EEAF COC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O 653685710 OINIDTBTTIYZIO-UHFFFAOYSA-N 327.336 2.477 0 1 EEAF O=c1c2cc(Cl)ccc2cnn1-c1nc(Cl)nc2[nH]cnc12 587651293 GSOGHGDHDQRPRX-UHFFFAOYSA-N 333.138 2.359 0 1 EEAF COc1ccc(CNc2ccc3nc(N)nc(N)c3c2)c(OC)c1 5889048 BZYVACJRYZJYKG-UHFFFAOYSA-N 325.372 2.424 0 1 EEAF COC(=O)CN[C@@H]1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1 14878840 DWPGNTAFBLUEMS-CQSZACIVSA-N 346.406 2.199 0 1 EEAF O=C1c2cc(OC(F)(F)F)ccc2-n2c1nc1ncccc1c2=O 3597606 HEADOOAJSIRGQD-UHFFFAOYSA-N 333.225 2.224 0 1 EEAF C[C@H]1CCC[C@@H](NC(=O)COC(=O)Cc2cn3ccsc3n2)[C@@H]1C 4013717 QPCCSIAUKJVBPE-OUCADQQQSA-N 349.456 2.422 0 1 EEAF C[C@H]1CN(C(=O)CCC(=O)NCc2ccccn2)c2ccccc2O1 6780611 VDJANAYHKKEWKL-AWEZNQCLSA-N 339.395 2.292 0 3 EEAF C[C@H](NC(=O)OC1CCCCC1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101506447 QTOGVWKNZNBBNK-SQLGEJSKSA-N 332.400 2.198 0 3 EEAF COc1c(C)cc([C@@H]2O[C@@H](C)C[C@@H](CC(=O)O)O2)c2c1C(=O)OC2 2356813751 BUFKSCQYVNMSCC-FJHFEUQMSA-N 336.340 2.341 0 1 EEAF C[C@@H](c1ccncn1)N(C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 67872877 DZQIBFJHECAUDS-NSHDSACASA-N 338.367 2.240 0 1 EEAF CN1C[C@H](O)c2ccc(O)c3c2[C@H]1Cc1cc2c(cc1O3)OCO2 14948084 HZTCKRFMLYABLA-YPMHNXCESA-N 327.336 2.489 0 1 EEAF biogenic CC1=C[C@@H](O/C=C2/C(=O)O[C@@H]3C4=C(CCCC4(C)C)[C@@H](O)[C@H]23)OC1=O 141665734 CDBBMEYPRMUMTR-XCPYXGTHSA-N 346.379 2.139 0 1 EEAF Cc1ccnc2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc12 587170241 PXMNBLUPLPRRPE-UHFFFAOYSA-N 334.376 2.226 0 1 EEAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(C(=N)N)cc3[nH]1)C2 587246213 DWCYJCORIWWDJB-LJQANCHMSA-N 335.411 2.198 0 1 EEAF CN1[C@H]2C[C@H](O)[C@H]1C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518092 ALDGFBJBDPWKFO-DGELGTTISA-N 327.424 2.497 0 1 EEAF COc1n[nH]c2cc(NC(=O)N[C@H]3COc4ccccc4C3)ncc12 1772615415 ZODRRIQVBRSSPH-LLVKDONJSA-N 339.355 2.092 0 1 EEAF CC(C)N[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356289449 VVYXWNYRLJMOFJ-OKYOBFRVSA-N 341.455 2.042 0 1 EEAF NC(=O)c1cnc2[nH]ccc2c1N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 103297953 DREIJXJRTLTGJC-ZLBJMMTISA-N 326.400 2.013 0 1 EEAF in-man O=C(c1ccc(O)cc1)N1CC(=O)N2CCCc3ccccc3[C@@H]2C1 26176662 PLSGZRBVAXPECD-SFHVURJKSA-N 336.391 2.364 0 1 EEAF CN1[C@@H]2COC[C@@H]1CC(NC(=O)N1CC(C)(C)c3ccccc31)C2 102212433 LYHDROFKRZXMBM-GJZGRUSLSA-N 329.444 2.355 0 1 EEAF CNC(=O)[C@@H]1CC=C[C@@H]1n1cnc2c(NC3CCCC3)ncnc21 29132408 MHRPRPHKSUIYOS-OLZOCXBDSA-N 326.404 2.044 0 1 EEAF O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCCn1ccnc1 26380890 NWFBQJGQJQNTRH-UHFFFAOYSA-N 332.791 2.410 0 1 EEAF C[C@@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 29485291 GOHDSZGHAHFEHG-VIXOLBLUSA-N 342.439 2.440 0 1 EEAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3snnc3c2)C1 61908434 GPTYWTRTJFRBPW-KRWDZBQOSA-N 346.456 2.460 0 3 EEAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCN(C)CC1 2356672805 YGYFSTDMLPXIIC-LLVKDONJSA-N 349.818 2.436 0 1 EEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1CC=C1[C@H](O)[C@H]3C[C@@]12CC[C@]3(O)CO 2356753242 HEZQTJICTKZYRG-JLPZLSSXSA-N 336.472 2.006 0 1 EEAF O=c1[nH]c(O)nc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc12 28711051 MCICQGDYMXZNFS-UHFFFAOYSA-N 348.318 2.164 0 1 EEAF COC(=O)c1ccc2c(c1)CCCc1cc3c(O)nc(O)nc3nc1-2 587560055 VJAXPFNBAZTKIB-UHFFFAOYSA-N 337.335 2.378 0 1 EEAF CCOC(=O)c1ccc(Cc2cnc3nc(O)nc(O)c3c2)cc1 587560169 XDLYTANUWTYPEF-UHFFFAOYSA-N 325.324 2.204 0 1 EEAF CCOC(=O)N1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](OC)C1 587396935 XMEBPWBRSHXFSN-YJBOKZPZSA-N 348.399 2.158 0 1 EEAF COC(=O)[C@@H](C)[C@]1(c2cnccn2)CC(=O)c2cc(C)cc(N)c2O1 587394126 QROKUSMTHSZIHG-ZMZPIMSZSA-N 341.367 2.037 0 1 EEAF COC(=O)[C@@H]1CSCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587454326 WFVXCTDRKJOBHE-BWACUDIHSA-N 334.393 2.108 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1cc4c(cn1)OCCO4)[C@@H](C2)C3=O 587436142 MKGRWGPCBSNJEJ-VOJFVSQTSA-N 325.320 2.350 0 1 EEAF CCOC(=O)c1cnn(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1N 69896652 RMLGXXSWVXZDQV-CYBMUJFWSA-N 346.431 2.162 0 1 EEAF Cc1nccnc1[C@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963225168 CSESTBWHPCBDLY-VQIMIIECSA-N 334.379 2.196 0 1 EEAF COc1ccc(-c2cn(C[C@H]3COC(C)(C)O3)nn2)c(OC)c1OC 1772607124 OKJNZOGRGBWKKI-NSHDSACASA-N 349.387 2.122 0 1 EEAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(=O)oc2cc(C)ccc12 1772635352 JWAOWICMRWKNGK-INIZCTEOSA-N 342.351 2.292 0 1 EEAF O=P(O)(O)[C@H](Nc1ccccc1)c1cccc2nc(O)c(O)nc12 13440505 FTBHFNJYFXSJEB-HNNXBMFYSA-N 347.267 2.329 0 1 EEAF CCN(C)C(=O)Oc1cccc2c1cc(C(=O)NC(C)C)c[n+]2C 1857538651 XYFWSBYOHVNOON-UHFFFAOYSA-O 330.408 2.253 0 1 EEAF Cc1ccc(N(Cc2ccco2)C(=O)Cc2cc(=O)n(C)[nH]2)cc1 1857595766 QFMZSWUXBINELU-UHFFFAOYSA-N 325.368 2.391 0 1 EEAF CC(=O)Nc1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@H]2C(=O)NC(=O)[C@H]12 1857598246 GUUBZYJUXOVCNT-BRSBDYLESA-N 332.359 2.125 0 1 EEAF COCCNC(=O)[C@@H]1CCCN(c2cnnc3c(Cl)cccc23)C1 6724952 CJUYKXHPXKPJPV-GFCCVEGCSA-N 348.834 2.262 0 1 EEAF CCCn1cc(C(=O)O)c(=O)c2ccc(N3C[C@H](C)N[C@@H](C)C3)cc21 103286545 QBESLSOIJXVULU-STQMWFEESA-N 343.427 2.296 0 1 EEAF Cc1ccc(-c2cn3c(n2)CO[C@H](CNC2CCN(C)CC2)C3)cc1 2356319227 OENYLPRFFIHSOK-GOSISDBHSA-N 340.471 2.441 0 1 EEAF Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)c1 27419810 DPEIYSNDVYRPAZ-UHFFFAOYSA-N 333.413 2.466 0 1 EEAF COc1ccc2c(c1)CN(C1CCN(C)CC1)CC[C@@H]1COC(=O)N21 2356660468 GZCORPFPHANGOW-MRXNPFEDSA-N 345.443 2.320 0 1 EEAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccc(N)cc2C1 26656222 FORXHATWWOAXFB-IBGZPJMESA-N 339.439 2.046 0 1 EEAF CC1CCN(C(=O)c2cnc3cc(C(=O)N(C)C)n(C)c3c2)CC1 72322793 RJLJCJWTSLIFQX-UHFFFAOYSA-N 328.416 2.147 0 1 EEAF Cc1cc([C@@H]2CCCCc3c2nc(N)nc3N2CCNCC2)ccn1 49055213 JNRNKONQFXPTCK-HNNXBMFYSA-N 338.459 2.030 0 1 EEAF O=C1N[C@@H](CO)[C@H](c2ccc(O)cc2)O[C@@H]1c1c[nH]c2ccccc12 86034996 XVQKMMBQSFYTQX-OKZBNKHCSA-N 338.363 2.163 0 1 EEAF COC(=O)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2n1 586907868 ODPYNBPWWJODCF-SECBINFHSA-N 325.324 2.325 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn[nH]c1 587869594 KZGVRUSVYPHLRU-UHFFFAOYSA-N 337.261 2.384 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1cc(C)nc(N(C)C)n1)[C@@H](C2)C3=O 587428864 LWBHBFNPVCJHTF-SJCJKPOMSA-N 325.368 2.348 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1c(Cl)n[nH]c1C(=O)O)[C@@H](C2)C3=O 587420939 NKMCYKQEYWBDBB-CPFSXVBKSA-N 334.715 2.259 0 1 EEAF C[C@@H](C(=O)O)c1cc2c(O)nc(O)nc2nc1-c1cccc(F)c1 587368017 GJWRYPRPKGHCPJ-SSDOTTSWSA-N 329.287 2.430 0 1 EEAF O=C(Nc1ncnc2c1cnn2CCN1CCCC1)C1CCCCC1 143202614 BVKRUWAKCUNBRP-UHFFFAOYSA-N 342.447 2.441 0 1 EEAF Cc1nn(CCNC(=O)OC(C)(C)C)nc1-c1nc[nH]c2nccc1-2 1857615598 JNGZRXYSOKXAGT-UHFFFAOYSA-N 343.391 2.001 0 1 EEAF CN(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(F)cc2Cl)C1 262391 NGOOQJWHTUDSGT-LBPRGKRZSA-N 341.814 2.489 0 3 EEAF CC1=C2C(=C[C@]3(O)C(=O)CC[C@H](C)[C@]3(C)[C@H]2OC(=O)C(C)C)OC1=O 2356390923 GUIUSCZLHIXZMW-RPGZFSACSA-N 348.395 2.061 0 1 EEAF O=c1c(Cc2ccccc2)c(N2CCOCC2)nc2n1CCCS2 6811684 QUXUYBFKRLWROV-UHFFFAOYSA-N 343.452 2.167 0 1 EEAF CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H]([C@H](O)CCc3ccccc3)[C@H]2O1 26289344 OXMWDXRDTYVWGE-IIYDPXPESA-N 345.395 2.137 0 1 EEAF COc1cc(CC=CC(=O)NC[C@H](O)c2ccc(O)cc2)ccc1O 2356551658 NGKYQPBOCVCCDD-KRWDZBQOSA-N 343.379 2.055 0 1 EEAF CC1=CCC[C@@H]2[C@](C)(CCC(=CCO)CO)[C@H](C)C[C@@H](O)[C@@]12CO 2356613476 NJLSXRXWVWUJTF-RUGGUXRKSA-N 338.488 2.420 0 1 EEAF CC[C@H](C)CNc1nc(N2CCN(c3ncccn3)CC2)ncc1C 82203344 ILPUANFIWIYBDP-AWEZNQCLSA-N 341.463 2.360 0 1 EEAF O=C(NCc1ccc(F)cc1)c1c(O)c(=O)[nH]c2c(F)cccc12 84668802 TWDMWZGLWXJAOI-UHFFFAOYSA-N 330.290 2.442 0 1 EEAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2ncnc12 95593005 MRBPBOXZHUELBQ-UHFFFAOYSA-N 331.420 2.144 0 1 EEAF Cn1nnc(-c2nc3c(Br)ccnc3[nH]2)c1C(F)F 587128727 ONHIVGKYDARCES-UHFFFAOYSA-N 329.108 2.454 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCO3 587231335 NMJDIAWZCOREIP-VXGBXAGGSA-N 345.399 2.328 0 1 EEAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CC(N)=O 587864875 RPMWUYIYDOZZKS-UHFFFAOYSA-N 341.289 2.483 0 1 EEAF COC(=O)c1cc2[nH]c(CSc3cccc[n+]3[O-])nc2cc1OC 586968603 BCVDGIPGDWBAEP-UHFFFAOYSA-N 345.380 2.284 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNC(=O)C2)N1 587794991 MXPXFHLFAIWLLT-RTHLEPHNSA-N 327.197 2.228 0 1 EEAF Oc1nc(O)c2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2n1 587133750 BONJRINAWHLTAF-UHFFFAOYSA-N 332.238 2.276 0 1 EEAF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)CCC1=CCN3C[C@@H]2O 2356307731 OKOWTOMZIDGJAC-AXHNFQJDSA-N 331.412 2.387 0 1 EEAF CS(=O)(=O)N1CCC(n2c(C(F)(F)F)nc3cccnc32)CC1 8599314 WTEBHOZUMZNOTR-UHFFFAOYSA-N 348.350 2.047 0 1 EEAF CNC(=O)[C@H](CC(C)C)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1 2356298776 ALEVQTMUKARZLI-MSOLQXFVSA-N 345.487 2.270 0 1 EEAF O=C1C[C@H]2O[C@@H]3C=C[C@@H](O)[C@H]1[C@H]3C21Oc2cccc3cccc(c23)O1 2356670945 ITJMKILNODXZIW-OZJGSQETSA-N 336.343 2.211 0 1 EEAF CCCN1CC(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O 490827 AOZQNXKWHISQGH-LJQANCHMSA-N 341.411 2.029 0 1 EEAF biogenic CO[C@@H]1O[C@@H](O)[C@H]2[C@@H]3Cc4c([nH]c5ccccc45)[C@@H]4C[C@H]2[C@H]1[C@H](C)N43 84466449 MCELWEQVMZEFMT-ZIXIEVJZSA-N 340.423 2.411 0 1 EEAF COCCN1C(=O)COc2ccccc2[C@@H]1C(=O)NC1CCCCC1 199207480 KVPRDALJMKAORI-GOSISDBHSA-N 346.427 2.044 0 3 EEAF OCCN1CCN(CCOc2ccc(-c3ccccc3)cc2)CC1 84556473 VEMUHLYZJZSLSI-UHFFFAOYSA-N 326.440 2.342 0 1 EEAF COc1ccc(N2C(=O)Cc3cc(OC)cc(OC)c3C2=O)cc1 96929797 WVUGZWDEDVLNGG-UHFFFAOYSA-N 327.336 2.442 0 1 EEAF CN(CCCN1CCOCC1)Cc1cn(C)nc1-c1ccccc1F 96431885 DJOASIDIFGROAX-UHFFFAOYSA-N 346.450 2.380 0 3 EEAF NS(=O)(=O)c1cccc2nc(COC/C=C/c3ccccc3)[nH]c12 587780993 ODQSKVDLMAIMPH-VMPITWQZSA-N 343.408 2.440 0 1 EEAF Cc1oc2c(c1-c1nc3cccc(S(N)(=O)=O)c3[nH]1)C(=O)CCC2 586903269 HYKJJSZFLRXWSW-UHFFFAOYSA-N 345.380 2.298 0 1 EEAF O=C1C[C@@H](c2nc3cnncc3[nH]2)CN1Cc1ccc(F)cc1F 587150915 VGRIHARQHAHDRK-SNVBAGLBSA-N 329.310 2.147 0 1 EEAF COc1ccc2c(c1OC)[C@]1(CCN(C)C[C@H]1CCO)N(C)[C@@H](C)C2 962641642 SYSJAVWRLFBTHW-YYFZDKIDSA-N 348.487 2.110 0 1 EEAF COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@]1(OC)CCC(=O)C3 13648776 MVOHYLTVHSTRCD-ATZDWAIDSA-N 331.412 2.037 0 1 EEAF Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)n1 166274089 UQPULIPFKDYVSO-UHFFFAOYSA-N 337.358 2.444 0 1 EEAF C[C@H]1C[C@@H](O)CC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1 139432302 MCIYWNAGEOPYMI-SMDDNHRTSA-N 336.384 2.470 0 1 EEAF O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)c1ccc(Cl)cc1 195338252 USPKYYZDABFFSZ-SOAFEQHCSA-N 342.782 2.038 0 1 EEAF CCN(CCO)C(=O)c1cc2cccnn2c1-c1cccc(OC)c1 95552430 QCRAYMPYCLJONN-UHFFFAOYSA-N 339.395 2.464 0 1 EEAF N=c1cc[nH]cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587248832 FRDJSLSTUAUJAJ-UHFFFAOYSA-N 333.145 2.498 0 1 EEAF CS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587531626 IDWYENNPKUZTBZ-UHFFFAOYSA-N 349.452 2.325 0 1 EEAF Cc1cccc2c1NC(=O)[C@@]21NC[C@@H]2CC(=O)N(C)c3cccc1c32 963033683 UDULVOLDZYZKTD-YUNKPMOVSA-N 333.391 2.244 0 1 EEAF O=C(c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1)N1CC[C@H](O)C1 1772613222 LMZKFGIWEHGMPK-LBPRGKRZSA-N 347.378 2.313 0 1 EEAF CNCCN1C(=O)[C@H](O)[C@H](c2ccc(O)cc2)Sc2ccccc21 13650943 ZTRZZXJIQHVVGS-SJORKVTESA-N 344.436 2.153 0 1 EEAF CC[C@H](C)N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@@H]3C1=O 150327395 WBTXSYLBOXAEQH-AWOJCUAASA-N 341.407 2.310 0 1 EEAF CN(C)CCC(C)(C)N=c1nc(-c2ccncn2)[nH]c2cnccc12 1857601880 MIBIAYZKKITTQH-UHFFFAOYSA-N 337.431 2.046 0 1 EEAF O=C1NC(=O)/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)N1 1857611790 GGSDBULDBNBIDT-XFFZJAGNSA-N 326.337 2.487 0 1 EEAF CC[C@H]1Cc2cc3c(cc2-c2cc(=O)c(C(=O)O)cn21)OCCO3 1857649512 VGKWVBSKQYKPBN-NSHDSACASA-N 327.336 2.492 0 1 EEAF CCOc1ccc(OCC)c(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 103056584 FYKKYJCPDCPXTN-VGWMRTNUSA-N 347.367 2.077 0 1 EEAF CCCN1C[C@@H](Cn2cccn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 103224174 VGUCRFZEXJNJAG-KVSKMBFKSA-N 327.428 2.236 0 1 EEAF O=C(O)[C@@H](Cc1cccc(-c2ccccc2)c1)NCP(=O)(O)O 29307607 PNYOBMQZMAVTGO-OAHLLOKOSA-N 335.296 2.074 0 1 EEAF CCNC(=O)[C@]1(C)CCN(C(=O)c2ccc(OC(F)F)cc2)C1 61905707 JVJSJRCQGUJJFJ-MRXNPFEDSA-N 326.343 2.276 0 3 EEAF C[C@]1(O)CCN(CC2CC2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356758739 CZNNTSRAVGNGHE-NSHGMRRFSA-N 328.456 2.489 0 1 EEAF COc1ccc2c3c1O[C@H]1C=C([C@@H](C)O)C[C@@H]4[C@H](C2)N(C)CC[C@]314 195109758 QWIOCLNAHOMHPC-CHYDREHHSA-N 327.424 2.281 0 1 EEAF CCc1nc(C)c(C(=O)N[C@@H](c2ccc(OC)nc2)C2CC(O)C2)o1 230561007 PZLTYAWAAZDJOE-ZUEPYMLJSA-N 345.399 2.191 0 1 EEAF C/C1=C\[C@H](O)[C@H](O)[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2[C@@H](O)C1 238735135 LDJDRVCYABHRAX-MMFMLYQHSA-N 338.488 2.415 0 1 EEAF Cc1noc(C)c1CN1CC[C@H]2OCC[C@@H](C(=O)NCC3CC3)[C@H]2C1 96043406 XAIYJMKAXGMPBH-KBAYOESNSA-N 347.459 2.045 0 1 EEAF CCCc1c(O)ccc2c1O[C@](C)(CN1CCN(C)CC1)CC2=O 587478031 ZIOBNNVMSGAVBJ-IBGZPJMESA-N 332.444 2.316 0 1 EEAF COC(=O)c1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 586962605 SQRXZDHLXLZDLG-ZETCQYMHSA-N 345.384 2.281 0 1 EEAF C/C(Nc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)Nc2ccccc21 13470426 ZQAZHQLWCKQXTD-GDNBJRDFSA-N 329.381 2.129 0 1 EEAF Cc1cc(NC(=O)Cn2nnc(C3CC3)n2)n(C2CCCCC2)n1 1857571529 USEYTLZBTGKWTN-UHFFFAOYSA-N 329.408 2.199 0 1 EEAF CC(=O)c1ccc(NC(=O)Cn2[nH]c(-c3ccccc3)nc2=N)cc1 1857650784 BXAXLTGYKZUWBY-UHFFFAOYSA-N 335.367 2.199 0 1 EEAF CC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCc1ccccn1 7992793 QSWFMBSGSAUBSO-PZJWPPBQSA-N 349.434 2.486 0 3 EEAF CCOC(=O)c1noc2nc(C)nc(NCCN3CCC(C)CC3)c12 21539140 QSZHYIBCZDCNSS-UHFFFAOYSA-N 347.419 2.247 0 1 EEAF CN1C[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@@H](C1)N2C 101243353 GVZXTWDXVBUVBA-HOTGVXAUSA-N 342.487 2.271 0 1 EEAF CC1=CC[C@H](OS(=O)(=O)O)[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 2356649514 OWJMDQVDMYDESK-BBWHYJIMSA-N 330.402 2.118 0 1 EEAF CC1=C2[C@H](O)[C@]3(O)CC[C@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C(=O)[C@@H]2OC1=O 1911572555 JDDAWARJXMHUIR-DBNXUGPISA-N 348.439 2.146 0 1 EEAF O=C1C[C@@H]2C(=C3c4c2ccc(O)c4[C@H](O)C[C@@H]3O)c2cccc(O)c21 14724606 PBYZCDIEUANPBF-VQISRLSMSA-N 336.343 2.490 0 1 EEAF biogenic COc1ccc2c(c1)C(=O)[C@](O)(OC)[C@](OC)(c1ccccc1)O2 40937388 GGQCEBFQSWDRBR-ROUUACIJSA-N 330.336 2.105 0 1 EEAF COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)C2=O 138731985 LUYYFWQYAWIGJJ-ZWKOTPCHSA-N 330.336 2.390 0 1 EEAF O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1C1CC1 199225225 MSRFEASBLFYWFK-KRWDZBQOSA-N 331.379 2.429 0 3 EEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cc[nH]n4)ncc23)ccn1 261083108 CARVXPJCJJJUEI-UHFFFAOYSA-N 348.370 2.373 0 1 EEAF Cc1occc1C(=O)N1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@H]21 299843591 URFRWMCXABSAOB-BRWVUGGUSA-N 328.368 2.434 0 1 EEAF N=c1[nH]cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)nc-2[nH]1 587076069 HSHPUYUHNZQOBZ-UHFFFAOYSA-N 341.762 2.206 0 1 EEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2nc(Cl)c[nH]c-2n1 587225346 PZSOWLRYIAAHSU-VIFPVBQESA-N 331.763 2.042 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nncn2C)N1 587752104 BRHWATALQJAOKS-JMCQJSRRSA-N 325.185 2.340 0 1 EEAF CSc1ccc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1 587203597 MAUMTUWAJWRSLX-CYBMUJFWSA-N 334.445 2.364 0 1 EEAF COC(=O)c1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cn1 587044358 UKZZFGFDENUMFT-UHFFFAOYSA-N 340.364 2.456 0 1 EEAF COC(=O)Cn1cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430660 KRMQYAZKLCVAOO-KZULUSFZSA-N 327.336 2.158 0 1 EEAF CN1[C@H](C(=O)NCc2ccco2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 12510041 BONJMOFQSPXJNS-OAUYIBNBSA-N 336.395 2.321 0 3 EEAF COc1cc2c(cc1O)CCn1c-2cc2c([C@H](C)O)cncc2c1=O 13309763 XEPDHMSLULWCBQ-JTQLQIEISA-N 338.363 2.387 0 1 EEAF biogenic O=C1NN[C@H](C(=O)N[C@@H]2CCCCc3ccccc32)[C@@H]2CCCC[C@H]12 207916828 LJRGOHFGAVBMST-XDNAFOTISA-N 341.455 2.380 0 1 EEAF COc1ccc(-c2cccc(Nc3cc(=O)n(O)c(=O)n3C)c2)cc1 1857571416 CFBABEXMQRIUGO-UHFFFAOYSA-N 339.351 2.204 0 1 EEAF CC(C)(C)c1noc(-c2ccccc2)c1C(=O)NCCOCCO 2483751 AAXZCZHJKCTHRU-UHFFFAOYSA-N 332.400 2.378 0 1 EEAF CC[C@@H]1CCCCN1C(=O)COc1cccc2c1CCN(C)C2=O 4089082 PUFBSOQRCLXXPE-CQSZACIVSA-N 330.428 2.485 0 3 EEAF CCn1ncc2c1CCCN(C1[C@H]3CC4C[C@H]1CC(O)(C4)C3)C2=O 101668599 SDTVTFWVSFBYNT-WMNDQREDSA-N 329.444 2.231 0 1 EEAF COC(=O)c1ccc(CNC[C@H](O)COc2ccccc2C)cc1 29206389 VDNLNZJFAHPCND-KRWDZBQOSA-N 329.396 2.311 0 1 EEAF CC=C1[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4C[C@@H]([C@@H]2CO)N3[C@@H]1O 2356720806 KKBTYLUGDNWYDI-RRCVHZOHSA-N 340.423 2.351 0 1 EEAF Cc1ccc2nc(CO[C@@H]3CN(Cc4cnn(C)c4)C[C@H]3F)[nH]c2c1 2356746664 KMVJMWJMRGSAET-RHSMWYFYSA-N 343.406 2.344 0 1 EEAF NC(=S)Nc1ccc(-c2nnc(Sc3ncccn3)o2)cc1 73160242 OHSZVIQQJVXKNF-UHFFFAOYSA-N 330.398 2.333 0 1 EEAF CC[C@@H](C(N)=O)N1C[C@H](c2cccc(Br)c2)CC1=O 34005323 ZAUOGJBDPVSTPS-PWSUYJOCSA-N 325.206 2.029 0 1 EEAF CCOC(=O)c1c(-c2ccccc2)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] 40848222 HMJXCGDMUMKQNF-UHFFFAOYSA-N 346.289 2.229 0 1 EEAF CCN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1 82134052 PJVSXWUJJSQEMW-UHFFFAOYSA-N 326.400 2.072 0 1 EEAF CCOC(=O)C[C@@]1(CCOC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443365 UUDHRXWDAGQLJN-FZKQIMNGSA-N 334.368 2.171 0 1 EEAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cnnc(O)c2[nH]1 587044076 YPSZAZLCMIDILI-JTQLQIEISA-N 347.787 2.367 0 1 EEAF Cc1c(O)ccc2c1[C@@](C)(c1cccc(O)c1F)N[C@H](C(=O)O)C2 963489928 JAKUKLJQQPFPSC-KPZWWZAWSA-N 331.343 2.408 0 1 EEAF Cc1ccc(CN2C(=O)c3c(c(O)c4nccnc4c3O)C2=O)cc1 13612275 WAFYULZYHHCXHT-UHFFFAOYSA-N 335.319 2.146 0 1 EEAF C[C@@](O)(C(=O)N1CCCN(Cc2ccccc2)CC1)C(F)(F)F 13804107 YBSNBENVRJTSGU-OAHLLOKOSA-N 330.350 2.034 0 1 EEAF Oc1c2c(cc3c1-c1c4c(cc5c1[C@H](C3)NCC5)OCO4)OCO2 14639614 BHCFQRZCSLOBQJ-JTQLQIEISA-N 325.320 2.260 0 1 EEAF biogenic,in-vitro C[C@@H](c1ccc(-c2ccc(=O)[nH]c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14947691 IJEMGTWZSQLNEU-IWEFOYFVSA-N 343.402 2.043 0 1 EEAF O=C(O)c1cc(=O)c2c3c(ccc2[nH]1)-c1ccccc1S3(=O)=O 169319939 KLXDGFDGNPNBHZ-UHFFFAOYSA-N 327.317 2.040 0 1 EEAF COc1ccc(-c2ccc(Oc3cc(=O)n(O)c(=O)n3C)cc2)cc1 1857586956 UBSXFUQYVXJAEL-UHFFFAOYSA-N 340.335 2.252 0 1 EEAF CCCCN=c1[nH]c(=N)[nH]c2c1CCN(CCc1ccccc1)C2 1857653352 KXPBCQXMGGJDDZ-UHFFFAOYSA-N 325.460 2.124 0 1 EEAF COC[C@@H](C)NC1=NN=C(c2cccs2)[C@H](CC(=O)O)S1 6176205 IGGQZDGYZHCHEV-SCZZXKLOSA-N 327.431 2.023 0 3 EEAF CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101272386 ZQTYSHNSWFSRTJ-SKIUCAJOSA-N 348.487 2.127 0 1 EEAF O=C1NC(=S)N/C1=C\c1cc(-c2ccc3c(c2)CNC3=O)cs1 103234939 AMTZZDGWXSGTKT-ACAGNQJTSA-N 341.417 2.004 0 1 EEAF CC(C)[C@@H]1C[C@H]2[C@]3(C)C[C@]4(O)O[C@H]([C@H]5[C@@H](C)CC[C@]53O)[C@@]2(O)[C@@]14C 101708864 YDKWKCQTFWTPEG-XJEQAWLPSA-N 336.472 2.304 0 1 EEAF C[C@H](C[C@@H](C)C(=O)N1c2ccc(Cl)cc2C[C@@H]1C(=O)O)C(=O)O 28263071 SXMFIYZCFSMHDJ-JRKPZEMJSA-N 339.775 2.429 0 1 EEAF CO[C@H]1CC(=O)N[C@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@H]4C(N)=O)[C@@]21C 26390093 AXHBIEPEDODFJJ-IKHWSNHSSA-N 348.487 2.234 0 1 EEAF C=CC(=O)N[C@H]1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1 1911581998 VJHXYTPNEXOSJV-ZDUSSCGKSA-N 340.427 2.155 0 1 EEAF CO[C@@H]1O[C@H](Cn2cc(C3=CCCCC3)nn2)[C@@H]2OC(C)(C)O[C@@H]21 87613094 YIRMGPVZOMKBPA-FXUDXRNXSA-N 335.404 2.127 0 1 EEAF C[C@H](CCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 263614137 AHRWSOYISAIFOZ-LFYQSXPISA-N 332.437 2.454 0 1 EEAF in-vitro C[C@@H]1CC(=O)N([C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)C1=O 299860443 GQRXXGYAFMFWJK-NXEZZACHSA-N 342.317 2.105 0 1 EEAF CS(=O)(=O)c1cccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 586927187 VDBKVQYSFJSQRP-UHFFFAOYSA-N 328.353 2.215 0 1 EEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586961409 ITZXZDWHYZNHSK-YFKPBYRVSA-N 349.347 2.331 0 1 EEAF CC(=O)NC1(c2nc3c(S)nc(S)nc3[nH]2)CCC(C)CC1 587234639 SGGVJYFYWDQBKK-UHFFFAOYSA-N 337.474 2.472 0 1 EEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COCC2=O)N1 587836444 UURHLZWLGWAWJN-RMLUDKJBSA-N 326.165 2.431 0 1 EEAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(C(N)=O)cc2[nH]1 587042523 LEVXHYYGBSCBTM-LBPRGKRZSA-N 332.429 2.282 0 1 EEAF CC[C@@]12CCCN3CC[C@]4(C(=O)c5ccccc5N4[C@@H](OC)[C@H]1O)[C@H]32 1772641175 AEAWEKVTXUJHME-IVDHNXQLSA-N 342.439 2.040 0 1 EEAF O=C(Nc1ccccc1)Nc1cc2c(=O)n(O)c(=O)[nH]c2cc1Cl 1857628209 DVYYEMWLFPLZPA-UHFFFAOYSA-N 346.730 2.225 0 1 EEAF COc1cc(N=c2[nH]nc(CCN3CCCCC3)o2)cc(OC)c1 1857651095 OKUWDTMDTURSPG-UHFFFAOYSA-N 332.404 2.281 0 1 EEAF CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1csc(C(N)=O)c1 6859558 ZUPHECCSOOCTBS-LBPRGKRZSA-N 338.454 2.147 0 3 EEAF OC[C@@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@@]3(CCN1CC1CC1)C2 101605832 KZPYCWJXCIGRQW-PLACYPQZSA-N 341.451 2.354 0 1 EEAF CCCN1CCN(CC(=O)[C@](O)(c2ccccc2)C2CCC2)CC1 22940303 WVAQPRILABNQGV-FQEVSTJZSA-N 330.472 2.271 0 1 EEAF COc1cccc(-c2nnc(-c3cn(C4CCN(C)CC4)nn3)o2)c1 66103067 MVCUVODOAHKBNO-UHFFFAOYSA-N 340.387 2.270 0 1 EEAF CC(C)CC(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 25968195 FSFOZWCLUWCAGS-INIZCTEOSA-N 346.427 2.164 0 1 EEAF CC(=CCOc1ccc2ccc(=O)oc2c1)[C@H](O)[C@@H]1C[C@@H](C)C(=O)O1 2356549043 PAARGKWPJAUKIO-PUECVXPYSA-N 344.363 2.431 0 1 EEAF COc1cc2c(c(C(=O)NC3C[C@@H]4CC[C@H](C3)N4C)c1)O[C@@H](C)C2 26948747 HEGCNUMCFQIISG-PRTUASRFSA-N 330.428 2.374 0 1 EEAF Cc1cc(C(=O)NC[C@H](N)C(=O)O)ccc1-c1ccc(Cl)cc1 35949759 SIZWARSFEXMUTJ-HNNXBMFYSA-N 332.787 2.457 0 1 EEAF N=C(N)NC[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21 35900027 AKHFOAQLUXPFBJ-AWEZNQCLSA-N 343.452 2.422 0 1 EEAF COc1cc(CNc2ncnc3c2ncn3[C@H]2CCCO2)ccc1O 40407192 DUVOICBNUVYPIL-CQSZACIVSA-N 341.371 2.462 0 1 EEAF COc1ccc(-c2cc(C(=O)NCCC(=O)O)c(C)o2)cc1OC 621429407 YXDQTVBOPWUIEJ-UHFFFAOYSA-N 333.340 2.477 0 1 EEAF COc1cc(/C=C/C(=O)N[C@@H](CO)Cc2ccccc2)ccc1O 621429363 PRZRWWODQWGYTH-XAVKZTDYSA-N 327.380 2.134 0 1 EEAF C[C@@H]1C[C@H](O)CCCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 40423037 OMVCOKJAHBJKNH-DGCLKSJQSA-N 336.384 2.470 0 3 EEAF biogenic Cn1nnc(-c2nc3ccc(Br)nc3[nH]2)c1C(F)F 587128393 LHNGSPNACTZCRN-UHFFFAOYSA-N 329.108 2.454 0 1 EEAF COC(=O)C[C@@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 587395580 RQFOYUTZWVQYCX-GOSISDBHSA-N 326.352 2.396 0 1 EEAF CC(C)(C)OC(=O)N[C@@H]1CCCc2cc3c(O)nc(O)nc3nc21 587552629 AVYNWLDTQIESIE-SNVBAGLBSA-N 332.360 2.338 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)CN1CCN(C)CC1)O2 587399661 MHUSDVIGBYXSAO-KRWDZBQOSA-N 331.460 2.185 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1c(Cl)ccnc1N)NCC2 962927926 FOQRBYMHBLLHPU-HNNXBMFYSA-N 330.819 2.254 0 1 EEAF O=S1(=O)COC[C@@H](COCc2ccccc2)N1Cc1ccccc1 58583578 PBRDMWBXTSTXCQ-GOSISDBHSA-N 347.436 2.392 0 1 EEAF COc1cccc(C(=O)C[C@@H](NC(=O)C2CCCCC2)C(=O)O)c1 26664291 SPCFDKUZYFYJKH-OAHLLOKOSA-N 333.384 2.418 0 1 EEAF CC[C@H](C)NC(=O)Nc1ccc2c(c1)N(S(=O)(=O)CC)CC2 33130118 MKNBWQPWINJURD-NSHDSACASA-N 325.434 2.319 0 1 EEAF COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1C(=O)c1cccs1 15676536 CANSBGACVOQFGQ-LBPRGKRZSA-N 333.413 2.266 0 1 EEAF biogenic NS(=O)(=O)NCCCCC(=O)Nc1cccc(-c2ccccc2)c1 40899209 UYZCEYVRVPQOOM-UHFFFAOYSA-N 347.440 2.256 0 1 EEAF NC(=O)c1c(N)nc(OC2CCCC2)nc1O[C@H]1CCCC[C@@H]1F 84654672 RZOBFPPQBGMJTQ-QWRGUYRKSA-N 338.383 2.139 0 1 EEAF O=C(O)/C=C1\CN(Cc2ccccc2F)S(=O)(=O)c2ccccc21 82157044 OBIFESXQBVKXSC-UKTHLTGXSA-N 347.367 2.498 0 1 EEAF CN(CC(=O)NCc1ccco1)C(=O)c1coc(-c2cccs2)n1 82085660 IHQSEQKSFUKYQN-UHFFFAOYSA-N 345.380 2.385 0 1 EEAF CCOC(=O)C1=C(O)[C@@H]2[C@H]3C(O)=C(C(=O)OCC)[C@H]4[C@H]1[C@@H]1[C@H]2C[C@@H]3[C@@H]41 195504751 GDMNLDOPKZZEJL-MOQFVYMESA-N 346.379 2.125 0 1 EEAF CC(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1 96924144 PLNZKGBHUFEVHL-UHFFFAOYSA-N 345.472 2.081 0 1 EEAF N=C(NCc1ccc(Cl)cc1)SCCCN1CCNCC1 96939829 DLVCZWPGJGJJMN-UHFFFAOYSA-N 326.897 2.393 0 1 EEAF c1cnc(N2CCN([C@@H]3CCC[C@@H]4CN(CC5CC5)C[C@H]43)CC2)nc1 299843384 QYKBHUSGSYXIEG-GUDVDZBRSA-N 341.503 2.109 0 1 EEAF Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21 299834742 ZHMCGBRGDVCXLS-UHFFFAOYSA-N 333.351 2.269 0 1 EEAF COC[C@]1(CC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587796179 SJHZYYUYZIVYAN-CLAHSXSESA-N 346.196 2.439 0 1 EEAF O=C1COC(c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)=NN1 1772576891 YPQXDPJYKRDGAS-UHFFFAOYSA-N 329.743 2.400 0 1 EEAF COc1cccc(Cn2nc(C)c3c(NC(=O)[C@@H](C)OC)[nH]nc32)c1 1857597769 TZKVGXRQXGOBDR-LLVKDONJSA-N 343.387 2.098 0 1 EEAF CCCCCNC(=O)Sc1ccccc1C(=O)NCCC(N)=O 1662946 NWXWJVCBVOORHF-UHFFFAOYSA-N 337.445 2.284 0 1 EEAF Cc1c(C)c2c(c(C)c1O)[C@@H](CN1CCN(CCO)CC1)C(C)(C)O2 22934286 TXFFRQXQLQRADA-MRXNPFEDSA-N 348.487 2.182 0 1 EEAF O=C(C1CCCCC1)N1CC(=O)N2CCOc3ccccc3[C@@H]2C1 26176440 HRAXXLUYPLXXND-INIZCTEOSA-N 328.412 2.371 0 1 EEAF CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1CC(=O)Nc1cccc(O)c1 5412722 GJGAAOSUBHQAJS-STQMWFEESA-N 340.445 2.029 0 1 EEAF biogenic O=C([C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12)N1CCCC1 34817220 KXSWLJWRFXTBQF-IAQYHMDHSA-N 335.201 2.281 0 1 EEAF COc1nc2nonc2[nH]c1=Nc1ccc(OC(F)(F)F)cc1 1911583655 AZDPFIPXZUMZMH-UHFFFAOYSA-N 327.222 2.086 0 1 EEAF COCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 82133907 INWQUJYBDIXFOK-UHFFFAOYSA-N 326.400 2.120 0 1 EEAF O=c1c([C@H]2Nc3ccccc3S(=O)(=O)N2)coc2ccc(F)cc12 96273807 AYKFLTDUIZGVBD-INIZCTEOSA-N 346.339 2.335 0 1 EEAF O=c1ccnc(O)n1Cc1ccc(OCCCN2CCCCC2)cc1 299825921 LYNUPWHZWUAWCT-UHFFFAOYSA-N 343.427 2.252 0 1 EEAF O=C(c1ccc(F)cc1)N1CCN2C[C@H](Oc3cccnc3)C[C@@H]2C1 299842596 URDLCQKISGUCFU-SJLPKXTDSA-N 341.386 2.198 0 1 EEAF NC(=O)c1cccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 586925113 VSWMNDSVJZKMMO-KTKRTIGZSA-N 327.365 2.106 0 1 EEAF Oc1nc(O)c2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2n1 587120769 VAPFGQORRCGKDA-UHFFFAOYSA-N 336.233 2.326 0 1 EEAF Oc1nc(O)c2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2n1 587075698 HAIIMYZEPIUQEI-VIFPVBQESA-N 331.719 2.035 0 1 EEAF Cc1cc2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c(C)n1 586960520 ZBIUTZQNVWKXEZ-MRXNPFEDSA-N 346.412 2.044 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nn2)N1 587761744 VMMTWNNBBAYZSH-FUXBKTLASA-N 325.185 2.340 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn(C)c1N 587873000 SRGUPJIQRDKVBJ-UHFFFAOYSA-N 329.335 2.092 0 1 EEAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)NCCc2nc3ccccn3c21 962991364 VGODWBDKCHXXQZ-HXUWFJFHSA-N 348.406 2.465 0 1 EEAF C[C@@H](NC(=O)CCC1=NC(=C2N=CN=N2)NO1)c1ccc(F)cc1F 1857592197 WBIGWUVARGLAOF-MRVPVSSYSA-N 348.313 2.476 0 1 EEAF O=c1c2ccccc2c(=O)c2c1oc1c(=O)c3ccccc3c(=O)c12 32286409 HZPLXBSZHIHWRT-UHFFFAOYSA-N 328.279 2.209 0 1 EEAF O=C1O[C@H](c2ccc(O)cc2)[C@@H](C(=O)O)C1=Cc1ccc(O)cc1 2356380904 VCGDDWQSRJLRHG-JKSUJKDBSA-N 326.304 2.480 0 1 EEAF CC(C)N[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 2356289448 VVYXWNYRLJMOFJ-MKXGPGLRSA-N 341.455 2.042 0 1 EEAF Fc1ccc2nc(CO[C@@H]3CN(Cc4ncc[nH]4)C[C@H]3F)[nH]c2c1 2356302285 QOPDIACWLAQIIQ-BXUZGUMPSA-N 333.342 2.164 0 1 EEAF C[C@H](NC(=O)COC(=O)c1ccc(CO)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101834378 XJGWAXYGPLSXAE-JFOHDYCDSA-N 331.412 2.277 0 1 EEAF COc1cc(C=CC(=O)NCCc2ccc(O)cc2)cc(OC)c1O 2356488308 IEDBNTAKVGBZEP-UHFFFAOYSA-N 343.379 2.487 0 1 EEAF COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@H](OC(C)=O)C2=O 14728242 MXFVIYRBYOWKKJ-QZTJIDSGSA-N 344.319 2.355 0 1 EEAF biogenic Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1NCc1ccccc1 82203301 ADDYMFBOSZQMSN-OAHLLOKOSA-N 325.416 2.099 0 1 EEAF COc1cccc(Cn2cc(Oc3nc4cnccc4c(=O)[nH]3)cn2)c1 653699195 FPKOGHSKLPYPHI-UHFFFAOYSA-N 349.350 2.364 0 1 EEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CN1CCOCC1 587595556 PAADRMPZUHCEBO-IRXDYDNUSA-N 341.363 2.055 0 1 EEAF Nc1nccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577035 QTSWGPJAXMHFRU-SUMWQHHRSA-N 335.319 2.467 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)NCC2(C)C 587799862 ZJLBHTRTJJFPMT-GLEZIHRCSA-N 341.224 2.474 0 1 EEAF Oc1nc(S)nc2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc12 587177249 FIIUNPSCGZYTLY-UHFFFAOYSA-N 332.364 2.149 0 1 EEAF CCN(CC)CCCNC(=O)c1cn([C@H](C)c2ccccc2)nn1 201487528 BSSSFXKLXNEACK-OAHLLOKOSA-N 329.448 2.349 0 3 EEAF Cc1c(O)ccc2c1[C@]1(CCOc3ccc(O)cc31)N[C@H](C(=O)O)C2 963489959 JJDURCRGJHNMOG-IFXJQAMLSA-N 341.363 2.031 0 1 EEAF Cc1nc([C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)no1 962731435 RWQJAICOTQBRBS-RISCZKNCSA-N 325.290 2.287 0 1 EEAF CC1(c2cccc3c2[C@]2(O)C=CC4(CC[C@@H]32)OCCO4)OCCO1 5741807 IGRXYKWVMNRJMH-LIRRHRJNSA-N 330.380 2.284 0 1 EEAF Cn1cnnc1[C@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 19772350 LXYIZUPFRSFPTK-HNNXBMFYSA-N 338.415 2.169 0 1 EEAF N=c1ccc(-c2cncc(NS(=O)(=O)c3ccccc3)c2)c[nH]1 1857645909 ZJGCSPBYMQKDJS-UHFFFAOYSA-N 326.381 2.357 0 1 EEAF Oc1c2c(nn1-c1ccc(OC(F)F)cc1)[C@H]1COCC[C@@H]1N=C2 27088411 QVOYXYWXOMVGNY-STQMWFEESA-N 335.310 2.484 0 1 EEAF Cn1cc(C(N)=O)c(Nc2ccc(Br)cc2F)cc1=O 28821871 LRYALXABQZRRNT-UHFFFAOYSA-N 340.152 2.129 0 1 EEAF CCOC(=O)Nc1cc(N[C@@H](C)[C@H](O)c2ccccc2)c(N)c(N)n1 27194458 CXWKZNZBOCOAPU-BONVTDFDSA-N 345.403 2.348 0 1 EEAF CCNc1nc(N2CCCN(C)CC2)nc2cc(OC)c(OC)cc12 36382569 ZPGSQOKCCPVAQI-UHFFFAOYSA-N 345.447 2.221 0 1 EEAF c1ccc(C2=NCc3nnc(N4CCOCC4)n3-c3ccccc32)cc1 39247032 YZZVIINJNVGDOY-UHFFFAOYSA-N 345.406 2.455 0 1 EEAF COc1ccc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cn1 40900533 BWWOWQBYLRRLFO-MRXNPFEDSA-N 338.319 2.187 0 1 EEAF COC(=O)/C=C\NC(=O)c1cc2c([nH]c3ccccc32)c([C@@H](C)O)n1 138265981 WZPSGPNOBZBZCX-GQYWMQPJSA-N 339.351 2.186 0 1 EEAF N[C@@H](Cc1ccc(-c2cnc(NCc3ccoc3)cn2)cc1)C(=O)O 40863697 HYQZBTQOPVVOQX-HNNXBMFYSA-N 338.367 2.303 0 1 EEAF C[C@@H]1[C@H](O)[C@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O 238734901 AONLJCCUYGGOSW-YRZBXZQTSA-N 344.363 2.287 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ncccn1)[C@@H](C2)C3=O 587431570 HKEOSAHTZNMFKG-SGTLLEGYSA-N 339.351 2.020 0 1 EEAF O[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C1CCOCC1 586914334 ZWODOIPOQIKNOJ-SSDOTTSWSA-N 336.701 2.437 0 1 EEAF COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccn1 587436396 PRVQGMUDALRGSK-PXAZEXFGSA-N 325.320 2.366 0 1 EEAF CCc1ccccc1NC(=O)c1nc2cc(-n3cnnn3)ccc2[nH]1 587241580 XHMGTYJPIGFEIH-UHFFFAOYSA-N 333.355 2.353 0 1 EEAF CN1CCN(c2nc(N)nc(-c3ccc(Cl)c(Cl)c3)n2)CC1 169349146 UCYFDXZLORDFPQ-UHFFFAOYSA-N 339.230 2.179 0 1 EEAF NCCCCN(Cc1cscn1)C[C@H]1Cc2ccccc2CN1 1857631626 LCSXPBKNDYNSBO-QGZVFWFLSA-N 330.501 2.399 0 1 EEAF COCCNC(=O)c1onc(CSc2ccccc2)c1C(=O)O 8691354 PFRFPSCTHQTFKY-UHFFFAOYSA-N 336.369 2.041 0 3 EEAF C[C@H](NC(=O)c1cccnc1)[C@@H](c1ccccc1)N1CCN(C)CC1 22036689 GGYDJTNPUODFMX-LPHOPBHVSA-N 338.455 2.189 0 3 EEAF COc1cc(Cc2cnc(N)nc2N)cc2c(N(C)C)cc(C)nc12 29565525 RYQAESQAKKCAGW-UHFFFAOYSA-N 338.415 2.163 0 1 EEAF NC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Cl)c1 114345945 VXICAQQGSOIIMS-CQSZACIVSA-N 341.802 2.494 0 1 EEAF O=C(O)C[C@H]1CCN(C2CCC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356777891 GQZXXLYEZXWBTF-CHWSQXEVSA-N 328.416 2.466 0 1 EEAF COc1ccc2oc(=O)c3c(c2c1)CCN(CCN1CCCC1)C3 27737452 BGQVHAOGMAWPKO-UHFFFAOYSA-N 328.412 2.256 0 1 EEAF NC(=O)C1CCN(c2nc(-c3ccc4c(c3)CCO4)cs2)CC1 36381455 SPCADEVIMLAILT-UHFFFAOYSA-N 329.425 2.447 0 3 EEAF CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(Cl)cc1 32220553 DIESMTYVICGSPG-UHFFFAOYSA-N 329.795 2.264 0 1 EEAF O=C(Cc1ccc(Cl)cc1)NCCNC[C@H](O)c1ccccc1 40503989 QWJDAARJMYMKTG-KRWDZBQOSA-N 332.831 2.322 0 1 EEAF CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCCCC3)nc1-2 45336424 SZVPDWROAQYJHW-UHFFFAOYSA-N 340.431 2.080 0 1 EEAF COc1c(O)ccc2c1-c1c3c(cc4c1[C@@H](C2)N(C=O)CC4)OCO3 14612176 RTUWYWJLPNOQKH-GFCCVEGCSA-N 339.347 2.408 0 1 EEAF biogenic CC[C@@]1(O)CN(C)CC/C1=C/C=C1\C(=O)Nc2c(OC)cccc21 238745147 NXQBPTQPVWZSKU-YQBFPZIJSA-N 328.412 2.434 0 1 EEAF Oc1ncnc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 587120295 WNQGMVQBGBEJMU-UHFFFAOYSA-N 338.293 2.201 0 1 EEAF COC(=O)c1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cn1 587042509 KZBHOVZGXMIQAC-LBPRGKRZSA-N 348.428 2.365 0 1 EEAF OC[C@H](O)[C@@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586889219 KBYSXAGAGQDCGD-DZGCQCFKSA-N 341.392 2.226 0 1 EEAF Nc1nccc(N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)n1 12304792 XGCFQEBCISMOPX-QGZVFWFLSA-N 338.459 2.192 0 1 EEAF CC(=O)Nc1ccc2c(c1)[C@H]1c3ccccc3[C@H]2[C@H]2C(=O)NC(=O)[C@@H]12 1857598247 GUUBZYJUXOVCNT-TVFCKZIOSA-N 332.359 2.125 0 1 EEAF O=C(c1csnn1)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1 3956287 OFTQBYDBKWLTDN-INIZCTEOSA-N 329.429 2.066 0 1 EEAF CCCN1C(=O)c2cc(C(=O)NCCCOC(C)C)ccc2[C@@H]1O 6736936 AEESYGXHIYAEHX-KRWDZBQOSA-N 334.416 2.088 0 1 EEAF CCCCNC(=O)c1cnc2sc(N3CCCCCC3)nn2c1=O 8603679 FPMJXKCUYZHPCW-UHFFFAOYSA-N 349.460 2.061 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCNC[C@@]12CC[C@@H]2C 27745336 RUANMLJUIUPQED-GLZQIGESSA-N 337.851 2.439 0 1 EEAF COc1ccc(Cc2n[nH]c(N3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)cc1 64622535 WQYOPKIHUXZIPW-OKILXGFUSA-N 340.383 2.084 0 1 EEAF CC[C@@H]1C[C@H](C)[C@H]([C@](C)(O)C=CC(=O)N[C@@H](CO)[C@H](C)CC)O1 2356687766 AKQLFHXLRLKXAB-VXNIPGDTSA-N 327.465 2.020 0 1 EEAF O=C(COCc1ccncc1)N1CCN(c2ccc(F)cc2F)CC1 64559639 RVAMMKWKFLINED-UHFFFAOYSA-N 347.365 2.225 0 1 EEAF Cc1cccc(CNC2=N/C(=C\c3c[nH]c4ncccc34)C(=O)N2)c1 40829539 LVMSPUPBLNCEHK-SXGWCWSVSA-N 331.379 2.488 0 1 EEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C[C@@H](C(C)=O)[C@H]1C[C@@H]23 49802403 DHAOEWPYRANXCZ-LROULRCXSA-N 338.407 2.090 0 1 EEAF CNc1nc(N2CCC(CCO)CC2)nc2cc(OC)c(OC)cc12 82132100 IDGNZWNNZCDPBM-UHFFFAOYSA-N 346.431 2.288 0 1 EEAF COc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)N2CCCCC2)cc1OC 201462329 UDSINZPXTCYPDL-SUMWQHHRSA-N 333.384 2.321 0 3 EEAF CNC(=O)Nc1ccc(OC[C@H](O)CNC(C)(C)C)c(Cl)c1 169317242 GOSPBBYWTDAFBV-LLVKDONJSA-N 329.828 2.219 0 1 EEAF CC1=CCC[C@H]2[C@](CO)(CCC(=CCO)CO)[C@@H](C)C[C@@]2(CO)C1 2356445535 FCKGLSONUYBLLE-NBYUQASBSA-N 338.488 2.421 0 1 EEAF CC[C@H](C)N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@@H]3C1=O 104408696 WBTXSYLBOXAEQH-WWCMAUILSA-N 341.407 2.310 0 1 EEAF CN1CCN(C2=Nc3cc(Cl)ccc3Nc3nn(C)cc32)CC1 26576554 LBZWPAIXXRQBFP-UHFFFAOYSA-N 330.823 2.456 0 1 EEAF C[C@]12C[C@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@@H]1[C@@H]3C[C@@H](C[C@H]12)OC3=O 100780909 QEANLIISUSNNDX-SQXFOZHVSA-N 344.363 2.383 0 1 EEAF endogenous,in-man CCCn1cc(C(=O)O)c(=O)c2ccc(N3C[C@@H](C)N[C@H](C)C3)cc21 103286543 QBESLSOIJXVULU-CHWSQXEVSA-N 343.427 2.296 0 1 EEAF CC1(C)[C@@H](O)CC[C@]2(C)C3=CC[C@](C)([C@H](O)CO)C[C@@H]3[C@H](O)C[C@@H]12 2356806404 AGLNNHMUZJAUFJ-IQWVPMBOSA-N 338.488 2.250 0 1 EEAF CC(=O)OCc1cc2c([nH]c3ccccc32)c([C@H](O)COC(C)=O)n1 14684142 ULBLUJBIDCYVTD-MRXNPFEDSA-N 342.351 2.376 0 1 EEAF biogenic C[C@@]1([C@H](O)CO)C=C2C[C@@H](O)[C@@H]3[C@@](C)(CO)CCC[C@@]3(C)[C@@H]2CC1 238778916 NEUCUEHDGUFUDL-PDKYLHCFSA-N 338.488 2.252 0 1 EEAF O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2cnccn2)C1 95565305 ZXVYKPLAXIZJIC-UHFFFAOYSA-N 340.774 2.045 0 1 EEAF C/C(=C\C=C/[C@H](C)/C=C\CC(C)C)[C@H]1[C@@H](O)C=C(CO)[C@@H](O)[C@@H]1O 238787831 RLFDVGHDISQUKQ-MJSHNISASA-N 336.472 2.359 0 1 EEAF CC1(C)[C@H]2CCC3=C[C@@](C)([C@H](O)CO)CC[C@H]3[C@]2(C)C[C@H](O)[C@@H]1O 238741463 BOHSTQDZSQRESD-IFWNTPBBSA-N 338.488 2.250 0 1 EEAF Fc1cccnc1O[C@H]1CN(Cc2ccccn2)[C@H]2CCCO[C@@H]12 299843514 STESVPGJJHTCAR-YESZJQIVSA-N 329.375 2.427 0 1 EEAF Cc1nnc(N2C[C@@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)s1 299842268 FGANCNPPNJRMBX-KFWWJZLASA-N 332.429 2.195 0 1 EEAF O=C(Cc1cccs1)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1ccncc1 299843135 MUTTVMAGBJSVDF-HOTGVXAUSA-N 341.436 2.088 0 1 EEAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(Cl)nc3N)c3cccc1c32 963031564 REJZQVKWPUUEKS-JDNHERCYSA-N 328.803 2.460 0 1 EEAF CN1C(=O)C[C@H]2CN[C@H](c3cccn(C(F)F)c3=O)c3cccc1c32 963037844 WFKHLKXLVCKXFP-QFYYESIMSA-N 345.349 2.386 0 1 EEAF CCc1nc(C(N)=O)c(Nc2cccc(C)c2)nc1NCCN(C)C 114202398 VXDOHSJPPSBACW-UHFFFAOYSA-N 342.447 2.163 0 1 EEAF Cc1ccc2c([C@@H](CC(=O)O)c3c(O)n[nH]c3C)cc(=O)oc2c1 1772650972 QWMUGNZFYZGPSJ-GFCCVEGCSA-N 328.324 2.445 0 1 EEAF C[C@H]1C[C@H](NC(=O)c2c(O)n3ccccc3nc2=O)CC(C)(C)C1 16689974 OSRXXFRCXMOMHX-RYUDHWBXSA-N 329.400 2.345 0 3 EEAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccc(N)c(N)c1 26386879 BTVDQFQGKYHRQR-WTNDLDAUSA-N 331.372 2.272 0 1 EEAF CC[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS[C@H]12 26504249 OOUXZTCZACZBNH-SMDDNHRTSA-N 341.429 2.087 0 1 EEAF CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCc1ccc(C)o1 20574937 KVGOKBDUUGKSKY-UHFFFAOYSA-N 340.401 2.188 0 1 EEAF CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)O 2356603427 CVHKSUQRABGLGO-OLZOCXBDSA-N 341.429 2.207 0 1 EEAF CC(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccn2)on1 12482207 WYRGGBCRVAAHQJ-GJZGRUSLSA-N 342.443 2.420 0 1 EEAF biogenic CSC1=N/C(=C\c2ccc(C)cc2)C(=O)N1CN1CCOCC1 31872363 RPSKLECDVUZEOE-PTNGSMBKSA-N 331.441 2.187 0 1 EEAF COc1ccc([C@@H]2OC(c3ccncc3)=NN2C(C)=O)cc1OC 72178861 WNMNORKMMCBNPQ-KRWDZBQOSA-N 327.340 2.338 0 1 EEAF COC(=O)C1=C(OC)C(=O)O[C@@H]1C1=C(Cl)c2ccccc2OC1 1911582368 BRZHRYNFQOEMJD-CYBMUJFWSA-N 336.727 2.028 0 1 EEAF CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](C)NC1=O 84652318 GJKHCIKADBBUPX-SJCJKPOMSA-N 325.412 2.222 0 1 EEAF CN1C(=O)C(O)=C(C(=O)NCc2ccc(F)cc2)[C@H]1c1ccccc1 40409692 UYCSYTRZTJNYPC-MRXNPFEDSA-N 340.354 2.467 0 1 EEAF COCCNc1ncc(C(=O)NCC2CC2)c(-c2ccc(F)cc2)n1 82140209 NYHBBXPHXPHRNW-UHFFFAOYSA-N 344.390 2.481 0 1 EEAF COc1ccc2c(c1)CC[C@](N)(c1nc3nc(Cl)c[nH]c-3n1)C2 587246648 IHGALAQQVUIDRE-MRXNPFEDSA-N 329.791 2.309 0 1 EEAF CC(C)(C)OC(=O)NC[C@H]1CCCc2cc3c(O)nc(O)nc3nc21 587553363 GUFMUTRXMYJJTR-SNVBAGLBSA-N 346.387 2.381 0 1 EEAF CCOC(=O)[C@@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587393481 HKHDLJJHXJOCLO-SFHVURJKSA-N 326.352 2.396 0 1 EEAF N=c1[nH]c2nc(-c3cccc(OCC(F)F)n3)nc-2c(Cl)[nH]1 587125062 QFLMKCHKUNBZRN-UHFFFAOYSA-N 326.694 2.076 0 1 EEAF O=C(Cc1ccccc1)NCCc1nc2cc(F)cc(C(=O)O)c2[nH]1 587228458 MMRPEOIGFKZMLF-UHFFFAOYSA-N 341.342 2.302 0 1 EEAF COC(=O)c1[nH]cc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1C 962935127 YKBFECFOULNVDG-QGZVFWFLSA-N 341.411 2.047 0 1 EEAF O=C(O)CC[C@H](C[P@@](=O)(O)Cc1cc(F)cc(F)c1)C(=O)O 13470274 LKGPZJOMEHGIRJ-SECBINFHSA-N 336.227 2.301 0 1 EEAF NC(=O)c1cc[n+](CCCCN2C=CC(=CN=O)C(Cl)=C2)cc1 1857538178 JBUBUKILSSHXFM-UHFFFAOYSA-O 333.799 2.413 0 1 EEAF CC[C@@H](C)Oc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 1857549089 MYLBPMJRVOKGRG-GFCCVEGCSA-N 338.371 2.487 0 1 EEAF CCCCOc1nc(N)c2[nH]c(=NC)n(Cc3ccccc3)c2n1 1857571265 IJOGHMWKQQWGLD-UHFFFAOYSA-N 326.404 2.099 0 1 EEAF C[C@H](c1ccc2c(c1)OCO2)n1cc2[nH]c(N(C)C)ncc-2c1=O 1857589566 JAXCWJVTTPPEGJ-SNVBAGLBSA-N 326.356 2.080 0 1 EEAF Cn1cc(S(=O)(=O)CC(=O)NC2CCCCC2)c2ccccc21 201440 XTGFJTKRDUTKRV-UHFFFAOYSA-N 334.441 2.401 0 3 EEAF C[C@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)Nc1nccs1)C(=O)N2 1863806 RORFIKIEDJVZJB-RSAASHCRSA-N 329.381 2.110 0 1 EEAF COc1ccc(Cl)cc1NC1=N[C@H]2CS(=O)(=O)C[C@H]2S1 3907047 PADZUSAVGRZISC-GXSJLCMTSA-N 332.834 2.029 0 1 EEAF C[C@@H]1CCC[C@@H](O)CCC[C@@H](O)Cc2cc(O)cc(O)c2C(=O)O1 2356377994 RUKNLXKLHDXQSW-MRVWCRGKSA-N 338.400 2.262 0 1 EEAF NS(=O)(=O)c1nc2ccc(OC(=O)c3ccccc3)cc2s1 26507308 NIAKACXIACUKAT-UHFFFAOYSA-N 334.378 2.163 0 1 EEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@H]1[C@H]2[C@H]2C=C[C@@]1(O)C(=O)O2 2356533937 FNDYJRBJAVGLKR-PGGXUPQSSA-N 344.363 2.143 0 1 EEAF O=c1ccc2cc(OC[C@@H](O)CNCc3cccs3)ccc2[nH]1 27180391 MYOOPVVBPQSODW-ZDUSSCGKSA-N 330.409 2.119 0 1 EEAF COC(=O)C1=C(OC)C(=O)O[C@H]1C1=C(Cl)c2ccccc2OC1 1911582369 BRZHRYNFQOEMJD-ZDUSSCGKSA-N 336.727 2.028 0 1 EEAF O=C(NCc1cncs1)c1nc(-c2cccs2)nc(O)c1O 49050036 PJONLTZQCOKIDE-UHFFFAOYSA-N 334.382 2.003 0 1 EEAF CCc1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)OC)cs1 82074658 CZABHPAQAQIEKC-CYBMUJFWSA-N 348.424 2.194 0 1 EEAF O=C(O)COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 473090789 AKEMKSDZCYBMAL-UHFFFAOYSA-N 328.276 2.335 0 1 EEAF COc1ccc(C2=c3cc(F)ccc3=NC(c3ccco3)=NN2)cc1 13545085 YQSYSWOHBAXJSR-UHFFFAOYSA-N 335.338 2.168 0 3 EEAF CNc1nc(Nc2cnn3c2[C@@H](C)N(C)CC3)ncc1C(F)(F)F 205959497 GVNQJRHCJXJASY-MRVPVSSYSA-N 341.341 2.484 0 1 EEAF CNC(=O)[C@H]1CCc2[nH]c3cc(Br)ccc3c(=N)c2C1 1857647068 ZGVLEPXVPCWAAW-QMMMGPOBSA-N 334.217 2.261 0 1 EEAF C[C@@H]1CCCCN1CCCNC(=O)c1ccc2c(c1)NC(=O)CN2C 6920028 AOHQQAFGWOUTRF-CQSZACIVSA-N 344.459 2.069 0 3 EEAF C[C@H]1CN(Cc2ccccn2)C[C@]12CCN(Cc1cccnc1)C2=O 299843131 MTYIYSVYZWWFIC-OXJNMPFZSA-N 336.439 2.347 0 1 EEAF C[C@@H]1NC=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587795285 OCEGHZAUQYQWFQ-CEFVDNRUSA-N 339.208 2.392 0 1 EEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncnn2C)N1 587759364 KMEZPJSNIWMHQZ-KRTXAFLBSA-N 325.185 2.340 0 1 EEAF COc1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2cc1OC 587249812 NKMXCXAUBJWVRZ-UHFFFAOYSA-N 327.340 2.451 0 1 EEAF CN1CCN(C[C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)CC1 962701054 JHHRAEGIQGWPKH-DNVCBOLYSA-N 349.519 2.478 0 1 EEAF O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)CN[C@H](CF)C2 13581909 YJHHASKMNPUGHV-KRWDZBQOSA-N 348.443 2.191 0 1 EEAF COc1cc2c3c4c1O[C@]1(OC)C[C@]4(CC[C@H]1O)C[C@@H]3N(C)CC2 14594455 RQLOGQPJLCEFLE-JUUKFZBDSA-N 331.412 2.146 0 1 EEAF CCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C(=O)CC)c1 169334067 ITCZACKAZHFEFD-CQSZACIVSA-N 336.432 2.366 0 1 EEAF O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccccc3)cc12 1857587638 AJNRXFUIGQGJKY-UHFFFAOYSA-N 326.333 2.380 0 1 EEAF COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc[nH]1)c1ccccc1 202638563 DKFDECDMJFWAFT-UONOGXRCSA-N 328.372 2.171 0 1 EEAF CC[C@H](O)[C@@H]1C[C@H](O)[C@@H](C=C[C@@H](O)CCCCCCCC(=O)O)O1 2356328560 BHWUKOCNOLCGLB-VIQHNZTISA-N 344.448 2.008 0 1 EEAF O=S1(=O)CCC(c2cc(O)n3ncc(-c4ccccc4)c3n2)CC1 103525041 VSXNYUZMHDVLNJ-UHFFFAOYSA-N 343.408 2.394 0 1 EEAF CNC(=O)[C@H](CC(C)C)N1CCC[C@H]1C(=O)N(C)Cc1ccccc1 2356298777 ALEVQTMUKARZLI-ROUUACIJSA-N 345.487 2.270 0 1 EEAF CCCC(=O)N1CC[C@]1(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O 61905546 VGZTZBWLTIJQSI-LJQANCHMSA-N 343.427 2.325 0 3 EEAF COc1cc2c(cc1O)OC[C@@H](c1cc3c(cc1O)OCO3)[C@@H]2O 2356856872 SEFIKYKGOWKGJE-DYZYQPBXSA-N 332.308 2.045 0 1 EEAF COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(F)c2)cc1 26379172 JNAIFLPGGYQDGD-CQSZACIVSA-N 335.375 2.112 0 1 EEAF COc1ccc(CN2CC[C@@H]3C=CC[C@H](C(=O)O)[C@H]3C2=O)cc1OC 34961276 DTZAJVAQVWFENG-ZQIUZPCESA-N 345.395 2.329 0 1 EEAF Cn1cc(-c2ccc(-c3nc(=O)c4cccc(CO)c4[nH]3)cc2)cn1 230471281 QFGWEEXXBWEZBP-UHFFFAOYSA-N 332.363 2.483 0 1 EEAF in-vitro Cc1noc(-c2ccc(N3C[C@H](Cn4ccnc4)OC3=O)cc2)n1 96928833 PQGATDOUNBLDHE-AWEZNQCLSA-N 325.328 2.267 0 1 EEAF C[C@H]1CNC(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587791630 GQQQYLZTUVCULL-IQMYEBEASA-N 341.224 2.474 0 1 EEAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(OC[C@@H]2CO2)cc1 587563364 RONKOIVMQLMEKS-GFCCVEGCSA-N 325.324 2.189 0 1 EEAF N[C@@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)C[C@H]1c1ccccc1F 587153777 CSKMJKNBWGPYSM-ZBEGNZNMSA-N 347.371 2.290 0 1 EEAF COc1ccc2c(c1OC)[C@](C)(c1nn(C)cc1O)N(C)[C@@H](C)C2 962563465 GKCYGDLIRGSTEQ-BBATYDOGSA-N 331.416 2.283 0 1 EEAF Cc1sc2c(c1C)CCN[C@@]2(CN1CCNCC1)c1ccco1 963022609 KEEVMVMASUUCTI-SFHVURJKSA-N 331.485 2.252 0 1 EEAF O=C(O)c1cc(=O)c2cc3c(cc2[nH]1)-c1ccccc1S3(=O)=O 169319967 OWAFCSBWTMCBJV-UHFFFAOYSA-N 327.317 2.040 0 1 EEAF CCOC(=O)[C@](N)(c1c[nH]c2cccc(C(=O)OC)c12)C(F)(F)F 1857551162 RZEJHEGWLUAUFB-CQSZACIVSA-N 344.289 2.234 0 1 EEAF COc1ccnc(N2CCC(NC(=S)Nc3cccnc3)CC2)c1 1857551245 ONMUTMADUYGEMP-UHFFFAOYSA-N 343.456 2.441 0 1 EEAF CN(C)C[C@@H]1O[C@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@@H]1O 2356353402 NHZXAWYHZAQHLG-BQFCYCMXSA-N 332.400 2.060 0 1 EEAF CCN1c2ncccc2C(=O)Nc2c(C)cc(N3CC[C@H](O)C3)nc21 6385189 YFMXPUKJKBLXBS-LBPRGKRZSA-N 339.399 2.080 0 1 EEAF C[C@H]1C[C@@H]2OC(=O)[C@H]3C[C@@H](O)CC(=C23)[C@@]12C[C@@H](c1ccoc1)OC2=O 6481615 GEQWDBTYASTNAP-SJLXZOMMSA-N 344.363 2.287 0 1 EEAF CCn1c2c(c(O)nc1=O)[C@@H](c1cccc(F)c1)C1=C(O)OCC1=N2 103644793 HUKOOIWFFVGMGZ-NSHDSACASA-N 343.314 2.126 0 1 EEAF Nc1ccccc1NC(=O)c1cc2ccc(N3CCNCC3)cc2cn1 212358580 QBVCDTAHPQAPDK-UHFFFAOYSA-N 347.422 2.479 0 1 EEAF O=C(N=c1cc[nH]cc1)C(=O)Nc1c(C(=O)C2CC2)[nH]c2ccccc12 1911575198 IVPXNTLOKTZDKS-UHFFFAOYSA-N 348.362 2.155 0 1 EEAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cnn(C)c2)n1 142149871 ATCXQKORKOSROC-DGCLKSJQSA-N 330.392 2.364 0 1 EEAF CS(=O)(=O)c1ccc(N2N=C(C(=O)O)C[C@H]2c2ccco2)cc1 653801623 OEOWEBXVDMSEOM-ZDUSSCGKSA-N 334.353 2.075 0 1 EEAF CCCc1c(O)ccc2c1O[C@H](c1c(N)ncnc1OC)CC2=O 587468739 CYRVXNAZXGVACB-ZDUSSCGKSA-N 329.356 2.432 0 1 EEAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cnccc3[nH]2)cc1 586925650 IHLAHYDBUUCWRV-UHFFFAOYSA-N 329.381 2.177 0 1 EEAF Oc1nncc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587120639 BVJQSOGJRBXKIO-UHFFFAOYSA-N 338.171 2.486 0 1 EEAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CC(=O)NC2(CCC2)C1 963602630 ADTGAFBQSLKGJZ-CWTRNNRKSA-N 330.428 2.266 0 1 EEAF COc1c(O)ccc2cc3[n+](cc12)C[C@@H](O)c1cc2c(cc1-3)OCO2 14765596 LQGRWSKECPQNES-MRXNPFEDSA-O 338.339 2.284 0 1 EEAF CN(C)C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1 1857608936 FXDXJDBQTATJLA-UHFFFAOYSA-N 333.823 2.225 0 1 EEAF CN(C(=O)C12C3C4C1C1C2C3C41I)C(C)(C)C 1631973 YJYUIOSXPDSMKG-UHFFFAOYSA-N 343.208 2.169 0 1 EEAF COC(=O)c1nc2n(n1)-c1ccccc1C(=O)N(Cc1ccccc1)C2 1659352 SCORAAYAWBQUSY-UHFFFAOYSA-N 348.362 2.210 0 1 EEAF CC=C1C[C@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@]2(CO)C(=O)OC 2356538508 GXDOWJPCBJLJMI-VBKZILBWSA-N 340.423 2.353 0 1 EEAF COc1cc2c(cc1OC)CN(C(=O)N1CCN(C(C)C)CC1)CC2 36188091 PMFZSFXXKBALEZ-UHFFFAOYSA-N 347.459 2.208 0 1 EEAF Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1NCc1cccs1 82203519 RXGRJDGTWPCXDL-LBPRGKRZSA-N 331.445 2.160 0 1 EEAF CC[C@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(C(C)C)c2=O)N1 82208335 VKKURDYGGGFGQM-ZDUSSCGKSA-N 342.399 2.047 0 1 EEAF CCCc1c(Cn2ccnc2-c2cccc(C#N)n2)ncn2ncnc12 138186008 HRETYXMMIJBZRN-UHFFFAOYSA-N 344.382 2.255 0 1 EEAF Cc1cccc(C(=O)N2C[C@H]3C(CC(=O)Nc4cccnc4)[C@@H]3C2)n1 299841753 DYZBLTNGGCCBFO-HOTGVXAUSA-N 336.395 2.132 0 1 EEAF CNC(=O)c1cn[nH]c1[C@@]1(C)CCCN(Cc2nccn2C(C)C)C1 299850970 QXIBTZDVJLCPGQ-SFHVURJKSA-N 344.463 2.100 0 1 EEAF Ic1cccc2nc(C[C@H]3COCCO3)[nH]c12 586908497 BUHXPNIFURVYHS-QMMMGPOBSA-N 344.152 2.125 0 1 EEAF CC(C)(C)OC(=O)N[C@H](c1nc2c[nH]c(=N)[nH]c-2n1)C1CCCC1 587225952 NVRZSXIGWVIURC-NSHDSACASA-N 332.408 2.473 0 1 EEAF CC1=C(c2ccc3nc(C[C@H](C)CCC(=O)O)[nH]c3c2)NNC(=O)C1 587962591 GYXOFRBWWQFVEQ-SNVBAGLBSA-N 342.399 2.362 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cc(C)on1)O2 587389042 HYILUEPDNTVION-QGZVFWFLSA-N 329.356 2.626 0 1 EEAF COc1ccc([C@@](C)(F)Cn2cc[nH]c2=O)cc1O[C@@H]1CCOC1 13438937 IDRCNGCIZNSRDJ-DYVFJYSZSA-N 336.363 2.238 0 1 EEAF COc1cc2c(c(OC)c1O)C(=O)N1CCc3cc(O)ccc3[C@@H]1C2 14638480 UAEQPGJNTGBPLI-AWEZNQCLSA-N 341.363 2.411 0 1 EEAF biogenic,in-vitro O=C(O)CCc1cn(C2CCN(c3ncccc3Cl)CC2)nn1 19111930 ZCKREPAASCPYFK-UHFFFAOYSA-N 335.795 2.185 0 1 EEAF N=C(N)c1ccc2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2c1 13532775 OZCONSDLQBPMQO-UHFFFAOYSA-N 332.363 2.475 0 1 EEAF Cc1c(N2CC[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C(C)C)c12 6520848 KJDGZCGHDXLUNI-NSHDSACASA-N 347.390 2.106 0 1 EEAF NC(=O)COc1ccc(-c2noc(COc3ccccc3)n2)cc1 6732490 DPJZFXGAPGUUEB-UHFFFAOYSA-N 325.324 2.180 0 1 EEAF CC[C@H](C)NC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 6795982 OBSTZPXCSIZYFA-SUMWQHHRSA-N 339.395 2.463 0 1 EEAF CN(c1ccc([C@]23CNC[C@H]2C3)cc1)S(=O)(=O)c1ccccc1 58583822 KATDCUORFQOJBY-QAPCUYQASA-N 328.437 2.373 0 1 EEAF Nc1ccccc1-c1cn(-c2ccc3c(c2)C=CS(=O)(=O)O3)nn1 103241887 DDMCEBZNVGTANO-UHFFFAOYSA-N 340.364 2.209 0 1 EEAF CC(=O)c1ccc2[nH]c(=O)n(C(=O)OC3C[C@@H]4CC[C@H](C3)N4C)c2c1 26252790 RCCOORHLAOKFMR-PBWFPOADSA-N 343.383 2.142 0 1 EEAF C[C@@H](c1ncncc1F)[C@](O)(Cn1ccnn1)c1ccc(F)cc1F 116504813 DDDMLZABRFSWRF-MGPLVRAMSA-N 349.316 2.177 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45c6cccc(OC)c6N(C)[C@@H]4[C@H]2C[C@H]1[C@H]3[C@H]5O 2356560314 VJDUELIERLHSMS-SXGHOMHGSA-N 338.451 2.165 0 1 EEAF Nc1nc(-c2cncs2)c2nnn(Cc3ccccc3F)c2n1 33993507 VVFOTYRTTIHHKA-UHFFFAOYSA-N 327.348 2.114 0 1 EEAF C[C@@H]1C(=O)[C@]23[C@H]4[C@@H](C[C@H]1[C@H]2O)OC[C@]41CCCC(C)(C)[C@H]1C[C@H]3O 504617455 LTTPBOKKKVOQID-ZNELMTKISA-N 334.456 2.165 0 1 EEAF biogenic CC(=O)Nc1ccc(CN2CCN(CC(C)C)[C@H](CCO)C2)cc1 36385688 VFOLNMXCWZJXGM-LJQANCHMSA-N 333.476 2.170 0 3 EEAF NCCc1cc(S(N)(=O)=O)ccc1Oc1ccc(F)c(Cl)c1 1911572835 WDVWTPNEVTYLQC-UHFFFAOYSA-N 344.795 2.420 0 1 EEAF COc1cc(O)cc(C(=O)c2cc(C)cc(OC)c2OC)c1CO 84723725 FHAUPLHGUDMIPA-UHFFFAOYSA-N 332.352 2.450 0 1 EEAF CCc1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)cs1 82074314 GPCZJWZKTOKSGB-LBPRGKRZSA-N 334.397 2.105 0 1 EEAF COc1c2c(cc3c1[C@@H](OC)N1CC[C@]34C=C[C@H](OC)C[C@@H]14)OCO2 197264295 PPHRXIAAESPDMQ-VZARTXAGSA-N 345.395 2.370 0 1 EEAF N[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 140109874 QMBMJKIHULOECZ-MRXNPFEDSA-N 346.438 2.166 0 1 EEAF O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H](Cn2ccnc2)C1 653882978 BQOKBYQLUBTUIS-LBPRGKRZSA-N 341.383 2.262 0 1 EEAF CCOC(=O)[C@@H](c1ccccc1)c1ccc2c(O)nc(O)nc2n1 587559717 LXKXBNDJBGXNOZ-ZDUSSCGKSA-N 325.324 2.131 0 1 EEAF O=C(O)[C@H]1C(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@H]1C(=O)O 587971314 ZBCNRLVMUQYGEV-YUMQZZPRSA-N 332.209 2.220 0 1 EEAF COc1cc2nc(CCNC(=O)Cc3ccccc3)[nH]c2cc1OC 587228180 IAYATQYLDKBKQV-UHFFFAOYSA-N 339.395 2.482 0 1 EEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(C(C)(C)C)nc2[nH]1 587202725 GDBYINZGEOCTMX-GFCCVEGCSA-N 345.447 2.334 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(Br)cnc1N)O2 587371427 FJGUBCHHYKQRBW-SNVBAGLBSA-N 349.188 2.418 0 1 EEAF CN(C)C(=S)SC(=S)N1CCN(C(=O)OC(C)(C)C)CC1 1857750371 JIWLLSMQERDUMB-UHFFFAOYSA-N 349.547 2.404 0 1 EEAF NS(=O)(=O)c1ccc(Nc2cc(-c3cccc(O)c3)n[nH]2)cc1 13538184 PVLOKYREDKFWTF-UHFFFAOYSA-N 330.369 2.173 0 1 EEAF CN1CCN(CC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)CC1 19358838 JWIJGZQWKSXTDS-HXUWFJFHSA-N 330.472 2.271 0 1 EEAF CCc1nc2cccnc2n1-c1ccc(C(=O)N2CCOCC2)cc1 6900734 YLVHEJYLHKRXBO-UHFFFAOYSA-N 336.395 2.455 0 1 EEAF CO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN21 103215206 MWULQWABMSNGLF-SCZZXKLOSA-N 344.824 2.372 0 1 EEAF Nc1cc2c3c(cc(N)cc3c1)C(=O)N(CCN1CCCCC1)C2=O 28228122 JQQWORJXXODVTI-UHFFFAOYSA-N 338.411 2.086 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3c4c(ccc(C)c4C)[C@H](O)[C@H]23)OC1=O 2356836988 LFVSQVHIKFDYFI-BSWAZPDLSA-N 342.347 2.294 0 1 EEAF COc1cc2c(cc1O)CCN1C(=O)c3cncc([C@H](C)O)c3C[C@@H]21 13309756 ARFLVLFKQGMNQG-QFYYESIMSA-N 340.379 2.145 0 1 EEAF biogenic COc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)N3)sc2c1 210819035 VQIQZCGEEUIMJL-KRWDZBQOSA-N 343.456 2.140 0 1 EEAF C=C(c1cccc(OC)c1OC[C@@H](O)CNC(C)C)n1ccnc1 40466594 CMOXDWAOLYQRIE-HNNXBMFYSA-N 331.416 2.148 0 1 EEAF Cc1cc(C)n2ncc(C(=O)N[C@@H]3[C@H]4C[C@H]5C[C@@H]3C[C@@](O)(C5)C4)c2n1 263621209 XAKHQMQFIBQWBI-SRJQPMPJSA-N 340.427 2.016 0 1 EEAF in-vitro C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12[C@H](CCC(C)(C)[C@H]1CO[C@H]2O)OC3=O 653739749 KUYKREFAEVXJRQ-UVUNQHPFSA-N 348.439 2.305 0 1 EEAF Cc1cc2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2c(C)n1 586936507 QHGWIXCQWYASRP-UHFFFAOYSA-N 333.417 2.257 0 1 EEAF CC(C)[C@](C)(O)c1nc2cc(I)cnc2[nH]1 586890511 QGITXKGGLMYHQG-NSHDSACASA-N 331.157 2.426 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CN1C(=O)COc3ccccc31)O2 587397393 ALQQHHBZMMGPNZ-GFCCVEGCSA-N 338.363 2.337 0 1 EEAF O=C(/C=C\c1nc2ccc(-n3cnnn3)cc2[nH]1)Nc1ccc(F)cc1 587167934 ZYWXWYRCFWANPF-FPLPWBNLSA-N 349.329 2.330 0 1 EEAF Cn1c([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc2cccnc21 962905423 DVLHNYOPDNGCIB-XJKSGUPXSA-N 325.343 2.401 0 1 EEAF Cc1nccn1Cc1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 13862997 HREADITWNGVWHM-UHFFFAOYSA-N 325.155 2.076 0 1 EEAF COc1ccc(NC(=O)c2noc3ncnc(N4CCCC4)c23)cc1 9688025 ZZMKDEZGGHQFBP-UHFFFAOYSA-N 339.355 2.479 0 1 EEAF CCOC(=O)CSc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1 103853444 SBLOSQVCGZVGJW-UHFFFAOYSA-N 344.396 2.024 0 3 EEAF CC(C)(C)OC(=O)N1O[C@H]2C[C@H]1[C@@H]1[C@@H]2N=NN1CCc1ccncc1 103109584 ANOKHENGFVYZOL-BYNSBNAKSA-N 345.403 2.367 0 1 EEAF NC(=O)c1c[nH]c2ccc(N3CCNC[C@@H]3Cc3ccccc3)cc12 53294846 QSIIURGKHNVJBN-INIZCTEOSA-N 334.423 2.288 0 1 EEAF CCOn1c(C)c2c(C)nnc(NNCc3cnn(CC)c3)c2c1C 28569453 ODPIIRLCPKDEHN-UHFFFAOYSA-N 343.435 2.138 0 1 EEAF CC(C)CCN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(C(C)(C)C)n1 2356460864 MWSWDOSYPITZNH-MLHJIOFPSA-N 349.519 2.310 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NC1[C@H]2CC3C[C@@H]1CN(C3)C2 28397441 LBXVOPLYLDLZEV-WWWQPRNBSA-N 335.835 2.001 0 1 EEAF COc1ccc([C@@H](N)c2nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]2)cc1 95587498 XEXJRQIFMJLDKP-QGZVFWFLSA-N 347.378 2.370 0 1 EEAF C/C=C1\CN2CC[C@@]34c5ccccc5N(C(C)=O)[C@@H]3[C@H](CO)[C@@H]1C[C@@H]24 238745405 IJTKEUDLEABZCZ-PIAPTGIVSA-N 338.451 2.322 0 1 EEAF NC(=O)c1cnn2cc(-c3cccnc3)cc2c1NC1CCOCC1 261178868 VODAKRLYZHOBNY-UHFFFAOYSA-N 337.383 2.086 0 1 EEAF O=C(Cc1ccccc1)N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1 299842421 QGTFLLZSRVOHFM-ROUUACIJSA-N 335.407 2.026 0 1 EEAF O=c1nc(N2CCOCC2)oc2ccc(-c3ccc(CO)cc3)cc12 653687047 AAIXYPOZIAZTIV-UHFFFAOYSA-N 338.363 2.184 0 1 EEAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 586886611 FPQYOGRCXOLYHQ-BDJLRTHQSA-N 345.424 2.356 0 1 EEAF Nc1cc2nc(-c3cncc(I)c3)[nH]c2cn1 587185719 WVSDRRGXKSVLPT-UHFFFAOYSA-N 337.124 2.207 0 1 EEAF O=C(c1ccc2c(c1)OCO2)n1ncc2ccc(Cl)cc2c1=O 587651990 IYNMGOCSIVNTCB-UHFFFAOYSA-N 328.711 2.467 0 1 EEAF N=c1[nH]cc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc-2[nH]1 587167206 IEASABLHVBFVLI-GFCCVEGCSA-N 341.350 2.225 0 1 EEAF Cc1ccc(S(=O)(=O)c2c[nH]c3cc4c(cc3c2=O)OCO4)cc1 13521516 VMHGYGJTRLVKSK-UHFFFAOYSA-N 343.360 2.398 0 3 EEAF CC1=CCC[C@@H]2[C@](CO)(C1)C[C@H](C)[C@]2(CO)CCC(=CCO)CO 2356445534 FCKGLSONUYBLLE-MTFMMBMASA-N 338.488 2.421 0 1 EEAF COc1ccc2c(c1)CC[C@H]1[C@@H]3CC(=O)N(N)C(=O)[C@@]3(C)CC[C@@H]21 6482860 KAGWXCAUSLFFEO-RCJHGTSTSA-N 328.412 2.390 0 1 EEAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Cl)c1 58655637 KVTCHDSYFPESLK-LEYGVYNDSA-N 342.782 2.038 0 1 EEAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCCOC 29339206 OMSUUTLTLCFHGV-UHFFFAOYSA-N 343.855 2.019 0 1 EEAF O=c1[nH][nH]c2nc(CNCCc3ccccc3F)nc3cccc1c32 59276427 WQUGBUNTWPMVTE-UHFFFAOYSA-N 337.358 2.271 0 1 EEAF COc1ccc(CO[C@]2(C3=NCCN3)COc3ccccc3O2)cc1 26002810 FWWPRIDOYWTPMS-LJQANCHMSA-N 340.379 2.381 0 1 EEAF COC(=O)C=CC(C)=C[C@H](C)[C@H](O)c1cc(O)cc(NC(C)=O)c1O 2356446242 CEGIRERGELADRL-GTNSWQLSSA-N 349.383 2.401 0 1 EEAF Cc1cc(CO)cc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)n1 29401526 FETLXCNXOXAFPP-UHFFFAOYSA-N 336.480 2.489 0 1 EEAF COc1ccccc1COc1ccc2c(c1)n1ncc(F)c1n[n+]2[O-] 64454017 PXLCDQUUXILDFD-UHFFFAOYSA-N 340.314 2.243 0 1 EEAF O=C1OC[C@@H](Cc2ccc(O)c(O)c2)[C@@H]1Cc1ccc2c(c1)OCO2 14760225 JJBONXYTPRSQOP-KGLIPLIRSA-N 342.347 2.401 0 1 EEAF biogenic CC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1SC(C)C 49784884 RGQAMWOBJSCLAA-UHFFFAOYSA-N 330.475 2.220 0 1 EEAF COc1cc(C(=O)[C@@H](CO)c2cc(OC)c(O)c(OC)c2)ccc1O 45496603 CZKPUZKGTUPACP-LBPRGKRZSA-N 348.351 2.082 0 1 EEAF COc1ccc2sc(CNc3nncc(C(C)(C)O)n3)nc2c1 95583068 MZESIPNNLVPOKT-UHFFFAOYSA-N 331.401 2.329 0 1 EEAF Cc1cc2c(cc1C)-n1nnnc1[C@H](N(C)Cc1ccccc1)C(=O)N2 95599268 CKBUPLOJPWAACI-KRWDZBQOSA-N 348.410 2.404 0 3 EEAF Oc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccccc1 473151537 QCEAFXTWNHCYOB-UHFFFAOYSA-N 331.763 2.172 0 1 EEAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cnncc3[nH]2)C(F)(F)C1 587131830 DEAOGEIDGAMTDV-QMMMGPOBSA-N 325.319 2.323 0 1 EEAF CC(C)[C@H](c1nc2c(O)nc(O)nc2[nH]1)N(C)C(=O)OC(C)(C)C 587198013 RLCFKKNOWFAVGT-SECBINFHSA-N 337.380 2.328 0 1 EEAF COC(=O)Cc1ccccc1-c1nc2ccc(C(=O)OC)nc2[nH]1 587783534 UNPOVCOTMQORPJ-UHFFFAOYSA-N 325.324 2.127 0 1 EEAF Cn1nccc1C(=O)c1c(CO)oc2cc(Br)cnc12 587275426 AJGSJTJNJMCXHK-UHFFFAOYSA-N 336.145 2.047 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3cnn(C)c3)nc1)O2 587392698 VXVOPKSMBGTEOD-INIZCTEOSA-N 335.367 2.474 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1cnc4c(c1)OCCN4C)[C@@H](C2)C3=O 587444873 RLTIULRXCDZWOL-SCLBCKFNSA-N 338.363 2.408 0 1 EEAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Cl)ncc3[nH]2)c1 587142342 VYPMTTBEIGLXRN-UHFFFAOYSA-N 326.740 2.065 0 1 EEAF CCOC(=O)C[C@]1(C(F)F)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023300 JOUZGMDVOVBCKD-BTDLBPIBSA-N 338.354 2.154 0 1 EEAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)C(C)(C)n1cncn1 963639387 VARWZMCANFHWMI-XIKOKIGWSA-N 330.432 2.480 0 1 EEAF CCOC(=O)[C@H](N=O)[C@@]1(C)NCCc2c(OC)ccc(Cl)c21 963270687 QSLRECKUGLNZQW-ZFWWWQNUSA-N 326.780 2.408 0 1 EEAF N[C@@H](Cc1ccccc1)C(=O)OCc1cn(-c2ccc(F)cc2)nn1 1772637130 YHWXUNXNTXRBLP-KRWDZBQOSA-N 340.358 2.020 0 1 EEAF C[C@H]1C[C@@H]2OC(=O)[C@@H]3C[C@@H](O)CC(=C23)[C@@]12C[C@@H](c1ccoc1)OC2=O 5840170 GEQWDBTYASTNAP-KRDPHVEISA-N 344.363 2.287 0 1 EEAF Cc1ccc([C@H](C)CCN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)o1 11789161 FVKQIJFXYSHKLS-KZULUSFZSA-N 333.432 2.392 0 1 EEAF COc1ncc(-c2ccc3c(c2)COCC3)cc1NS(C)(=O)=O 1244794776 VCAPFXXCRFAHSN-UHFFFAOYSA-N 334.397 2.201 0 1 EEAF O=c1c2ccccc2n(Cc2cccnc2)c(=O)n1Cc1ccco1 427315 UHLKSWGMLNXXBU-UHFFFAOYSA-N 333.347 2.248 0 1 EEAF Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2ccccc2C)n1 113755440 JPJAYAQOIRJTLG-UHFFFAOYSA-N 347.382 2.366 0 1 EEAF COc1cccc(CCN2[C@@H]3[C@H]4[C@H]5[C@@H]6[C@@H]7C[C@H]5[C@@H]3[C@H]7[C@]2(O)[C@H]64)c1OC 101591950 FOTUXOOYRRRHFQ-DBDBSVDESA-N 339.435 2.007 0 1 EEAF CC(C)(C)n1nc(-c2ccc3oc(=O)ccc3c2)c(C(N)=O)c1N 103252544 GMXXNWXPTIGTFB-UHFFFAOYSA-N 326.356 2.093 0 1 EEAF CN[C@@H](C)Cc1cc(OC)c(I)cc1OC 26016008 UFHCKYRPMINDBF-QMMMGPOBSA-N 335.185 2.459 0 1 EEAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(C(=O)C2CCC2)CC[C@@]1(C)O 2356552518 SSSPRVZGIBFFPR-YQVWRLOYSA-N 330.428 2.016 0 1 EEAF O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@H](NCc3ccco3)CO[C@@H]12 2356863601 URTCHLZDIUKCQC-VQHPVUNQSA-N 344.367 2.153 0 1 EEAF O=c1cc(O)c2ccc3c(c2o1)[C@@H](O)[C@@H](O)C1(CCCCCC1)O3 40973769 RUXWXYQFJWIESD-NVXWUHKLSA-N 332.352 2.378 0 1 EEAF CNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)scc12 49116351 UUANLMXYBZGQNR-UHFFFAOYSA-N 334.788 2.042 0 1 EEAF Cc1ccc2c(c1)-c1c(ccc3[nH]c(C(=O)O)cc(=O)c13)S2(=O)=O 149035480 IJNBIPAERDALMR-UHFFFAOYSA-N 341.344 2.348 0 1 EEAF COc1cc(O)c2c(c1O)[C@@H](OC)[C@H]1C[C@](C)(OC)OC[C@@H]1C2=O 238749647 WIJFPHJXBDLXRE-KRQUVALZSA-N 338.356 2.006 0 1 EEAF Oc1ccc2c(c1)[C@@]13CCCC[C@]1(O)[C@@H](C2)N(CC1CC(O)C1)CC3 33882260 NCMXKIHJYUFTRL-JRNMCZFWSA-N 343.467 2.336 0 1 EEAF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nncn2C)N1 587752460 FDFOAPGHNPMQLY-JVXZTZIISA-N 325.185 2.340 0 1 EEAF CCOC(=O)C(=O)[C@H]1CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587399178 ISEVCJNWRHMUHA-XIKOKIGWSA-N 331.368 2.214 0 1 EEAF COc1cccc(C(=O)Cn2cnc3c(sc(=S)n3C)c2=O)c1 957868987 IWDUKSLICZAHSQ-UHFFFAOYSA-N 347.421 2.417 0 1 EEAF O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1cccc(Cl)c1 13154359 KVTCHDSYFPESLK-KRXYVZHUSA-N 342.782 2.038 0 1 EEAF C[C@]12CCC[C@]3(C)C1=C(C[C@@H]1C[C@H]4C[C@@]13[C@@H](O)C[C@@]4(O)CO)OC2 2356324269 IFKUIJZGXPLIFR-JYXDNRSDSA-N 334.456 2.372 0 1 EEAF O=CN1CCN(c2ccc(C[C@H]3C(=O)Nc4ccccc43)cc2)CC1 3870908 AZGZGRJOCKSSHA-GOSISDBHSA-N 335.407 2.243 0 1 EEAF in-vivo COc1c2c(c(C(C)C)c3oc(CO)cc(=O)c13)O[C@@H](C(C)(C)O)C2 2356317640 HXAVORFMFQJRGH-CYBMUJFWSA-N 348.395 2.492 0 1 EEAF COCCNC(=O)[C@@]1(C)CCCN(Cc2sc(C)nc2C)C1 61895524 OUVCUSODATWHTG-INIZCTEOSA-N 325.478 2.125 0 3 EEAF COc1cccc([C@H]2SCCC(=O)N2NC(=O)c2ccncc2)c1 84596905 KSBXMMKCVQNLGZ-QGZVFWFLSA-N 343.408 2.399 0 1 EEAF C[C@H](Cc1ccc([Si](C)(C)C)cc1)CN1CCS(=O)(=O)CC1 653694173 BTRUINKZEMKGDS-OAHLLOKOSA-N 339.577 2.141 0 1 EEAF COc1nccc2nc(CCNC(=O)OCc3ccccc3)[nH]c12 587228494 QPBMYXIKZSINHD-UHFFFAOYSA-N 326.356 2.435 0 1 EEAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3nc(N)nc(Cl)c3[nH]2)cc1 587786363 QCAZANPVQNLUGD-ZJUUUORDSA-N 343.774 2.532 0 1 EEAF COC(=O)c1cc2nc(-c3cccc(NC(N)=O)c3C)[nH]c2cn1 587238035 AGZQXXDRBYZGLZ-UHFFFAOYSA-N 325.328 2.211 0 1 EEAF COC(=O)c1ccnc2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc12 587155245 IXFLNMLMNNCGHD-DIFFPNOSSA-N 326.331 2.225 0 1 EEAF CN(C)C(=O)c1ccc2c(c1)[C@H](C[C@](C)(O)C1CCOCC1)NCC2 962926313 AXICIYYGCWOVQR-ICSRJNTNSA-N 346.471 2.143 0 1 EEAF COc1ccc2c(c1)OC[C@@](O)(Cc1ccc(OC)c(OC)c1)[C@H]2O 5918437 ZTXKDTJDLGSZEA-OALUTQOASA-N 346.379 2.112 0 1 EEAF COc1cc2c(cc1OC)C(c1ccc(N)cc1)=NN(C)C(=O)C2 13605718 GDTSALVRCCQVSC-UHFFFAOYSA-N 325.368 2.053 0 1 EEAF C[C@@H]1C(=O)[C@@]23C[C@H](O)[C@@H]4[C@@](C)(CO)CCC[C@@]4(C)C2=CC[C@@]1(O)C3 2356337266 WVGFQNIYXUJDEE-QOPWMDILSA-N 334.456 2.213 0 1 EEAF CCc1nc2cccnc2n1-c1ccc(CC(=O)NCCOC)cc1 6900921 NCUSPWIPBQLEOT-UHFFFAOYSA-N 338.411 2.288 0 3 EEAF O=C(C1CCN(c2c(Cl)cncc2Cl)CC1)N1CCOCC1 117585429 WSNVCGXJMXRGQL-UHFFFAOYSA-N 344.242 2.464 0 1 EEAF O=C(Nc1ccccc1)c1cc([C@H]2COCCN2C(=O)C2CC2)on1 61895633 HJQVPNKWSVDEGB-OAHLLOKOSA-N 341.367 2.237 0 3 EEAF O=C1[C@@H](O)N=C(c2ccccc2)c2cc(Cl)ccc2N1CCCO 26157400 CMUSXBYLPDZLCW-QGZVFWFLSA-N 344.798 2.225 0 1 EEAF CCCCO[C@H]1Oc2ccc([C@H](O)Cn3ccnc3)cc2N(C)C1=O 28530789 CYFLQOJDVLORDZ-QAPCUYQASA-N 345.399 2.115 0 1 EEAF CN(C)C(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1 28526112 OFRANIBPBFPFGV-UHFFFAOYSA-N 348.366 2.335 0 1 EEAF O=C(c1ccno1)N1C[C@@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356586390 XWSHZDAMAMPHDE-QMTHXVAHSA-N 348.309 2.069 0 1 EEAF COc1cc(OC(C)=O)c2c(O)c3c(cc2c1O)C[C@H](C)OC3=O 2356638916 WTPJDWNVRZDFHZ-ZETCQYMHSA-N 332.308 2.286 0 1 EEAF COC(=O)[C@@H]1[C@H](OC(=O)C=Cc2ccccc2)C[C@H]2CC[C@H]1N2C 2356648047 MQIXMJWNEKUAOZ-KONPQCLYSA-N 329.396 2.267 0 1 EEAF COC(=O)c1ccc2nc(CO[C@@H]3CN(C4CCC4)C[C@H]3F)[nH]c2c1 2356759099 JIEJGFUEBLVIGR-CZUORRHYSA-N 347.390 2.441 0 1 EEAF CN(C)C=C(NC(=O)N=c1[nH]nc(C(F)(F)F)s1)C(F)(F)F 2356826062 HVPZWMDVVSDQEO-UHFFFAOYSA-N 349.260 2.066 0 1 EEAF C=C1C=CC2=C(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3C(=C)C(=O)O[C@H]3[C@@H]12 15059744 GWTNNINCUJQCGQ-FLXSYLCISA-N 344.363 2.020 0 1 EEAF biogenic CCNc1n[nH]c2cc(NC(=O)N[C@H](CO)c3ccccc3)ncc12 210799207 LQJWNYYPUIZLJZ-CQSZACIVSA-N 340.387 2.245 0 1 EEAF Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](OCc2ccccc2)C[C@H]1O 40455357 KQWZLGLYTXBCFX-RBSFLKMASA-N 339.399 2.080 0 1 EEAF C[C@@H]1O[C@H](SCCC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@@H](O)[C@@H]1O 195137156 HWVMUFHBNMDWTI-VUIDQDLYSA-N 342.501 2.154 0 1 EEAF CCO[C@H]1O[C@H]2CN[C@@H]3C[C@H](OC)C=C[C@]32c2cc3c(cc21)OCO3 95910442 DWXXGLPEQMCHLG-PXHCZXJWSA-N 345.395 2.034 0 1 EEAF biogenic,in-vitro CCN1C(=O)CC[C@H]1C(=O)NCc1ccc(Br)cc1F 95565480 WWFLDOWFLYUESZ-LBPRGKRZSA-N 343.196 2.215 0 1 EEAF O=C1[C@H](Cc2ccccc2)CCn2cc(nn2)COC[C@H]2CCCN12 95898353 WZJQEFWGBHOUNW-FUHWJXTLSA-N 340.427 2.048 0 1 EEAF CCCc1c(O)ccc2c1O[C@H](CNC(=O)C1CCOCC1)CC2=O 587472173 YCNTUNMVQVLLLH-ZDUSSCGKSA-N 347.411 2.221 0 1 EEAF NS(=O)(=O)c1cccc2nc(-c3ccc(Cl)nc3F)[nH]c12 587177830 BIFIBSKNZQZBEC-UHFFFAOYSA-N 326.740 2.065 0 1 EEAF CCOC(=O)[C@@H](C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(C)=O 587443088 TWBNYVXNHCOOTQ-KSMMKXTCSA-N 346.379 2.360 0 1 EEAF CN(C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1)C1CCOCC1 11879994 HJMOEZANISGMDQ-HNNXBMFYSA-N 348.418 2.202 0 3 EEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CCC[C@H]1Cc1cccnc1 1857655071 PGINAGGITAQKFI-AWEZNQCLSA-N 346.408 2.206 0 1 EEAF COc1cccc(-c2nc3ccc(N4CCOCC4)cc3c(=O)[nH]2)c1 13835244 KHMGRMISMYGXLU-UHFFFAOYSA-N 337.379 2.435 0 1 EEAF C[C@H]1C[C@@H](C)CN(C(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)C1 103711244 OVDNFLVUHFWXBV-BETUJISGSA-N 338.411 2.334 0 3 EEAF CCCCC[C@@H]1OC(=O)[C@H](C)C(=O)C[C@H](OC(C)=O)CC[C@@H]1O 2356415733 ULYITTZTULSLHI-UYHMYPTGSA-N 328.405 2.160 0 1 EEAF C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]2N3)cc1 100107093 LJCHNGLJIJITDN-QUPHPOSDSA-N 326.440 2.413 0 1 EEAF CS(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 100096518 YYUUHZHMWGNERJ-PIIMJCKOSA-N 328.437 2.053 0 1 EEAF NC(=O)Nc1cc(-c2ccccc2)sc1C(=O)N[C@H]1CCCNC1 84688255 KZWJNCUHHASMNZ-LBPRGKRZSA-N 344.440 2.388 0 1 EEAF COC(=O)[C@@]12COCC[C@H]3[C@@H]1CCN[C@H]3c1c2[nH]c2ccccc12 40872597 DJGCISNEPWGNJS-IKTQFDNCSA-N 326.396 2.279 0 1 EEAF Cc1c[nH]c2ncnc(N3CCN4C(=O)N(c5ccccc5)C[C@H]4C3)c12 299841033 XMQJTVUUGGWRNA-OAHLLOKOSA-N 348.410 2.397 0 1 EEAF CCOC(=O)[C@@H](C)[C@@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587400104 NHZCBCUZDWKNBF-ADLMAVQZSA-N 349.383 2.044 0 1 EEAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cccc(OC)c41)[C@@H](C2)C3=O 587438122 CMVCSJAMTYXORY-WLRWDXFRSA-N 337.331 2.299 0 1 EEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cnc(Cl)[nH]c-2n1 587225371 QGCOIEMUROFTIY-SECBINFHSA-N 331.763 2.042 0 1 EEAF Nc1nc(CCC(=O)N2CCO[C@@H](Cc3ccccc3)C2)cs1 12438247 UDCVPADNWNFDFQ-HNNXBMFYSA-N 331.441 2.128 0 1 EEAF Cc1cccc(Cc2nnc(CCC(=O)N(C)[C@@H]3CCOC3)o2)c1 13595586 GLGRQXFDVMPFPY-OAHLLOKOSA-N 329.400 2.149 0 3 EEAF C[C@@H](c1ccc(-c2cncnc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948178 GZGFXEZECQSUJX-ZLIFDBKOSA-N 328.391 2.145 0 1 EEAF C[C@@H](c1ccc2c(c1)OCO2)n1cc2[nH]c(N(C)C)ncc-2c1=O 1857589565 JAXCWJVTTPPEGJ-JTQLQIEISA-N 326.356 2.080 0 1 EEAF O=S1(=O)C[C@@H]2N=C(Nc3ccc(Br)cc3)S[C@@H]2C1 3907045 BALQLQNVHNGMAU-VHSXEESVSA-N 347.259 2.129 0 1 EEAF COC(=O)[C@@H]1Cc2ccc(O)c(c2)Oc2ccc(cc2)CCC(=O)N1 26849533 KVTTUZKBQXDMNE-HNNXBMFYSA-N 341.363 2.331 0 1 EEAF COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](NCC3)[C@H]2O 2356866938 VPMBQPYJUGPLSW-IRXDYDNUSA-N 343.379 2.319 0 1 EEAF C1CCCC(N2CN=C(N[C@H]3N[C@@H]4CCCC[C@@H]4S3)NC2)CC1 72104351 VWYPFCRPUPGYHO-HLLBOEOZSA-N 337.537 2.406 0 1 EEAF O=C1CC[C@@]23Cc4ccc(O)cc4[C@@]2(CCN(CC2(O)CC2)C3)C1 72170958 HIXLAMQESUHGDK-AZUAARDMSA-N 327.424 2.156 0 1 EEAF COc1ccc([C@H]2c3ccccc3O[C@@H]3NC(=S)N=C(N)[C@H]32)cc1 195377639 LIGQBVAGOUBEQV-UXLLHSPISA-N 339.420 2.407 0 1 EEAF Nn1c(S[C@@H](C(=O)O)c2ccccc2)nc2ccsc2c1=O 40834739 TWUCSUSGLHYVFG-SNVBAGLBSA-N 333.394 2.090 0 1 EEAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H](C(=O)O)[C@H](C(=O)O)C1 587488995 LWDPIHTUZRFTKO-VXGBXAGGSA-N 348.351 2.244 0 1 EEAF NC(=O)CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658824 SOTIYXQFHMLRBB-UHFFFAOYSA-N 339.326 2.108 0 1 EEAF CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1c1nc3nc(O)nc(O)c3cc1C2 587559479 YSSWKMRQMZFCIY-ONGXEEELSA-N 344.371 2.433 0 1 EEAF Cc1[nH]nc2ncc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc12 587655208 WHQLOZYHHJGDPH-UHFFFAOYSA-N 339.742 2.318 0 1 EEAF CC(C)(SCC(=O)O)c1nc2ccc(CN3CCOCC3)cc2[nH]1 586959890 SGSYTSBMAKAAQV-UHFFFAOYSA-N 349.456 2.448 0 1 EEAF Nc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cn1 586997043 LVCLCUAXXWYCLE-SNVBAGLBSA-N 332.205 2.545 0 1 EEAF CCOC(=O)CC[C@]1(CCC(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587399520 KMNAYFRUKGWIEU-GOSISDBHSA-N 349.383 2.489 0 1 EEAF CCO[C@H](C)n1nccc1[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962909449 XIVXIHOBXURIIK-HICWGWBUSA-N 333.363 2.266 0 1 EEAF COC(=O)[C@H]1CCCCC[C@]12NCCc1ccc(C(=O)N(C)C)cc12 962925946 RMJFGGCMEJFNDH-UZLBHIALSA-N 344.455 2.483 0 1 EEAF COC(=O)N1C(=O)[C@](c2ccc(OC)cc2)(C(C)C)N1C(=O)OC 15924756 MFCNPPLTGGUOKM-MRXNPFEDSA-N 336.344 2.139 0 3 EEAF O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2S(=O)(=O)N1CCCCc1ccncc1 169295388 AWLGVKCXSOFROF-QBPKDAKJSA-N 346.452 2.157 0 1 EEAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CC=CCC(=O)O 2356313873 IDKLJIUIJUVJNR-DMRKSPOLSA-N 326.433 2.263 0 1 EEAF C[C@H]1C(=O)NC(=Cc2ccccc2)c2nc3c(c(=O)n21)C=CC=CO3 2356323616 CJYUEDLQBHFMDJ-LBPRGKRZSA-N 333.347 2.352 0 1 EEAF CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCCN(C)C)C[C@@H]1C(C)C 2356840210 MOSKAHDRDSYXQM-OKZBNKHCSA-N 337.508 2.045 0 1 EEAF O=C1C[C@@H]2c3c(cccc3CN1Cc1ccccc1F)C[C@@H](O)[C@H]2O 61949600 FCOTUPXYWHSIHU-MDYRTPRTSA-N 341.382 2.120 0 3 EEAF CC(=O)NCCCCN1CCCN(C)[C@@H](c2ccccc2)CC1=O 15147702 GHSPELNMZURBHZ-GOSISDBHSA-N 331.460 2.198 0 1 EEAF biogenic CC(=O)O[C@@H]1c2cc3ccc(=O)oc3cc2O[C@H]1C(C)(C)OC(C)=O 13461189 MPSHHPOBEKGMGA-IAGOWNOFSA-N 346.335 2.500 0 1 EEAF biogenic CC(=C/CO)/C=C/[C@@H]1[C@](C)(O)[C@@H](O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]21C 85993075 RMAJUEUHZWCNQM-VVQIEVLBSA-N 338.488 2.416 0 1 EEAF in-man CSc1ncc2ccc3c(C(N)=O)cn(CC(C)(C)CN)c3c2n1 144867072 SGQNOLAVVZNJKI-UHFFFAOYSA-N 343.456 2.390 0 1 EEAF CCCNC(=O)c1c(N)nn2c(=O)cc(-c3ccc(Cl)cc3)[nH]c12 653633825 GFBLOTLKJZBSKV-UHFFFAOYSA-N 345.790 2.065 0 1 EEAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(C(=O)O)cc2[nH]1 586950580 ZKPBDXLPEKRQPT-UHFFFAOYSA-N 345.380 2.223 0 1 EEAF CC(C)(C)OC(=O)N(Cc1nc2ccnc(N)c2[nH]1)C[C@H]1CCCO1 587197129 JLRIYVLQWWLLNZ-LLVKDONJSA-N 347.419 2.456 0 1 EEAF CS(=O)(=O)N1CCC2(CC1)c1ccc(F)cc1C[C@@H]1CCCN12 963113491 UOYIJWAHDKWCKZ-HNNXBMFYSA-N 338.448 2.097 0 1 EEAF COc1ccc(OC)c(CNC(=O)n2sc3ncccc3c2=O)c1 169711329 PMOGYLFNTADMJY-UHFFFAOYSA-N 345.380 2.233 0 1 EEAF Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCCCC2)CC1 3641383 KRBMMTDOLHPSPA-UHFFFAOYSA-N 331.460 2.417 0 1 EEAF CNC(=O)[C@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C(=O)NCC1CC1 2356299030 RXBHMNLUHFMADM-CVEARBPZSA-N 349.862 2.118 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCNC[C@]12CC[C@@H]2C 27745343 RUANMLJUIUPQED-FGDXXIHYSA-N 337.851 2.439 0 1 EEAF O=C(NCc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)nc1 117713422 SXFVPSRPNRHHPX-OAHLLOKOSA-N 331.803 2.326 0 1 EEAF Cc1ncc(C)n2nc(CCc3nc(-c4cscn4)cn3C)nc12 117854066 XCSWHBVTVHCLLJ-UHFFFAOYSA-N 339.428 2.383 0 1 EEAF COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C=Cc1ccc(O)cc1 2356419065 GHGQUMXNRYULMG-QGZVFWFLSA-N 341.363 2.012 0 1 EEAF CC=C1CN2[C@H]3C[C@@]45C(=O)[C@H]3[C@H]1C[C@H]2[C@H]4N(C)c1cc(OC)ccc15 2356635806 LEHVAVBEMNLCAM-CGOXAXJRSA-N 336.435 2.373 0 1 EEAF CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12 28771081 PJMYDDGWVUCELC-GFCCVEGCSA-N 328.368 2.295 0 1 EEAF O=C(N1CCCN(C2CCC2)CC1)[C@@]1(Cc2ccccc2)CCCN1 49126376 ZTGFTYKAQBNXMK-NRFANRHFSA-N 341.499 2.438 0 1 EEAF C[C@H]1CNc2c(NCC3CC3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82212281 SBZUJQXZVAPAFN-NSHDSACASA-N 344.390 2.006 0 1 EEAF O=C1[C@@H](Cc2ccccc2)CCn2cc(nn2)COC[C@@H]2CCCN12 95898350 WZJQEFWGBHOUNW-AEFFLSMTSA-N 340.427 2.048 0 1 EEAF CCn1ncc2c1CCCN(C1[C@H]3CC4C[C@@H]1CC(O)(C4)C3)C2=O 95587010 SDTVTFWVSFBYNT-RDPYHOTOSA-N 329.444 2.231 0 1 EEAF O=C1CC[C@H](C(=O)N2CCc3sccc3[C@@H]2c2cccs2)NN1 618013330 SRAZJYGJZZXXAK-IAQYHMDHSA-N 347.465 2.067 0 1 EEAF Oc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)OCCCO4)n1 586967033 ROFSTFVFRMBGHV-UHFFFAOYSA-N 346.368 2.218 0 1 EEAF CCOC(=O)c1c[nH]nc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438362 FFRQRZWYOHEZNR-HWPZZCPQSA-N 328.324 2.084 0 1 EEAF CC1CCC(NS(=O)(=O)Cc2nc3ccc(CO)cc3[nH]2)CC1 586952999 PJMUDOKUDRLELN-UHFFFAOYSA-N 337.445 2.053 0 1 EEAF NS(=O)(=O)c1cccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c12 586878824 HMWPDPNBUYMFFJ-CMDGGOBGSA-N 343.364 2.079 0 1 EEAF COc1c(F)ccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1N 587133382 POKIFTMKUWCRKX-UHFFFAOYSA-N 335.360 2.363 0 1 EEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(Cl)ncnc2[nH]1 587226479 ZMVGPVFNZYFFHK-VIFPVBQESA-N 331.763 2.090 0 1 EEAF CC(C)c1nn(C)c2c1[C@@](C)(c1ccccc1S(C)(=O)=O)NCC2 962915260 UYPBHUISYIRNDV-GOSISDBHSA-N 347.484 2.356 0 1 EEAF CCOC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C[C@]23C=C[C@H]1O3 5905540 RIQQBAOFMYKBQJ-VMUDFCTBSA-N 333.771 2.190 0 1 EEAF O=C(c1ccco1)N1CCN(C(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 6859346 QMVGBTHMAMOUMG-BFHYXJOUSA-N 333.457 2.101 0 1 EEAF Oc1ccc(C[C@H](O)CN2CCC(O)(Cc3ccccc3)CC2)cc1 26261787 QBGJXSOFTRVLIT-FQEVSTJZSA-N 341.451 2.365 0 1 EEAF N[C@H]1CCN2C(=O)c3cc(C=Cc4ccccc4)ccc3NC(=O)[C@H]12 2356845323 ODNCENVLRHYENE-WMZOPIPTSA-N 333.391 2.351 0 1 EEAF O=C1CC[C@@H](O)[C@@H]2[C@@H]1[C@@H](O)C=CC21Oc2cccc3cccc(c23)O1 35086276 JDOPKJKDJUPYHU-QABNGEJJSA-N 338.359 2.194 0 1 EEAF CC(=O)N1CCC(n2cc(-c3noc(-c4ccccc4)n3)nn2)CC1 71296829 PKYVFEQWVSHHAE-UHFFFAOYSA-N 338.371 2.179 0 1 EEAF CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 40980276 HILPOOWQEBWFGB-JOYOIKCWSA-N 325.352 2.391 0 1 EEAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CC1)CC3 82195979 PBXPJJGAOCITDK-UHFFFAOYSA-N 348.406 2.223 0 1 EEAF NC(=O)c1cccc2c1C(=O)N(c1ccc(C3CCNCC3)cc1)C2 45389545 SVLUTWSLJSIAFX-UHFFFAOYSA-N 335.407 2.413 0 1 EEAF CCc1oc([C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)C(=O)O)c(C)c(=O)c1C 135937023 KDBDGPBVVUIYNX-UBEDBUPSSA-N 338.400 2.209 0 1 EEAF CC(c1cc2c3c(c1)CCN3C(=O)CC2)(n1ccnc1)n1ccnc1 95555345 VLMSXZSKSPXCKN-UHFFFAOYSA-N 333.395 2.184 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CS(=O)(=O)c3ccccc31)O2 587411745 VGRNZGGRHLFIJL-KRWDZBQOSA-N 329.377 2.225 0 1 EEAF N=c1cc[nH]cc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587249938 TXBUSJKKKVLFAG-UHFFFAOYSA-N 342.302 2.331 0 1 EEAF CCS(=O)(=O)c1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1 587029037 FHGLTCVFQWAGFP-LLVKDONJSA-N 336.442 2.056 0 1 EEAF Nc1ncnc2[nH]c(CCNc3ccc(Br)cc3)nc12 586995385 GEIVEUHVMYGWFJ-UHFFFAOYSA-N 333.193 2.352 0 1 EEAF O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 13801214 STBHTUOPFMOXDX-LNKGRISISA-N 341.407 2.387 0 1 EEAF C[C@@H]1C[C@@H](NC(=O)c2c(O)n3ccccc3nc2=O)CC(C)(C)C1 16689971 OSRXXFRCXMOMHX-VXGBXAGGSA-N 329.400 2.345 0 3 EEAF COC(=O)C(C(=O)OC)[C@@H]1O[C@]23COC=C[C@@]2(C)[C@@H]3c2ccccc21 169356233 PMTNJZPBVCGODU-PDWMJMLSSA-N 344.363 2.106 0 1 EEAF CCO[P@](=O)(Oc1ccc(S(N)(=O)=O)cc1)c1ccccc1 1857549738 SKWKPUDZFINNSN-NRFANRHFSA-N 341.325 2.268 0 1 EEAF COc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cn1 1857769576 RROPYJPWANRURB-UHFFFAOYSA-N 338.415 2.383 0 1 EEAF O[C@H](CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 13730861 ZTPBJWUQRZTCOT-QGZVFWFLSA-N 330.407 2.252 0 1 EEAF CC(C)N[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356289447 VVYXWNYRLJMOFJ-MANSERQUSA-N 341.455 2.042 0 1 EEAF COC(=O)c1cc(OC)c2c3c1OC(C)=CC(O)=C3[C@@H](OC)OC2=O 2356404022 ARPKIESCUHOTPR-KRWDZBQOSA-N 348.307 2.190 0 1 EEAF CSCC[C@H](NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2)C(=O)O 58599367 ZMEXGNFMQHLDST-WSHDBJAUSA-N 349.408 2.307 0 1 EEAF CCCCS(=O)(=O)N1CCc2[nH]nc(-c3c(C)noc3C)c2C1 23478233 YJIYPCAZKHAQPU-UHFFFAOYSA-N 338.433 2.170 0 1 EEAF CNC(=O)c1cc([C@H](O)CN[C@@H](C)CCc2ccccc2)ccc1O 27737235 IGMABZYDUYLHHS-IFXJQAMLSA-N 342.439 2.396 0 1 EEAF CC=C1CN2CC[C@]34c5cc(OC)ccc5N[C@H]3[C@@H](CO)[C@H]1C[C@@H]24 2356628507 WASNVZYFPCLQAH-WOCWYEKDSA-N 326.440 2.390 0 1 EEAF Cc1cc(O)cc(Oc2cc(C)c(C(=O)O)c(OC[C@H](O)CO)c2)c1 2356805665 VJHMNXXFZIHOLJ-CYBMUJFWSA-N 348.351 2.232 0 1 EEAF CC(C)N1CCO[C@H](COc2ccc(CN3CCOCC3)cc2)C1 40424301 OJRDGDTZXLGNHO-IBGZPJMESA-N 334.460 2.007 0 1 EEAF CC(C)(C)[C@@H](CO)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 207351269 KWNJQZSSKRFKMZ-CQSZACIVSA-N 333.432 2.280 0 1 EEAF CCOC(=O)/C(=C/N(C)C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587385951 GAWPJUBKHJDJBL-GFBZKKKVSA-N 332.400 2.310 0 1 EEAF Oc1nc(S)nc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587128981 GYLAITGPELQADK-UHFFFAOYSA-N 325.300 2.053 0 1 EEAF COc1cc2c3c(c1)OC1(CCC(N4CCOCC4)CC1)[C@@H](C2)C3=O 587442231 HXDLKXHOAQMRSY-FXUPRZHBSA-N 343.423 2.456 0 1 EEAF CN1CCN(c2ccc3nc(CC(C)(C)CC(=O)O)[nH]c3c2)CC1 587955230 IQZVMRZWOBNVPH-UHFFFAOYSA-N 330.432 2.358 0 1 EEAF N#CN1CC[C@H](NS(=O)(=O)Nc2ccc(-c3ccccc3)cc2)C1 1857551116 DBXCMHMITPNPAR-KRWDZBQOSA-N 342.424 2.155 0 1 EEAF CN(Cc1ccc(F)c(F)c1)C(=O)CCC1=NC(=C2N=CN=N2)NO1 1857592037 WYJHBPNCRGQYIS-UHFFFAOYSA-N 348.313 2.257 0 1 EEAF Cc1cccc(-n2cc3nc(O)n(Cc4cccc(F)c4)n3c2=O)c1 1857595855 GMTRFWJQMVSIGJ-UHFFFAOYSA-N 338.342 2.488 0 1 EEAF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1[C@@H](O)c1ccc(O)cc1 2356390226 UNGLKYLAUBUKBF-VHSSKADRSA-N 342.347 2.186 0 1 EEAF Cc1ccc(NC(=O)CN2C=NS(=O)(=O)c3ccccc32)cc1 2693360 TZSXWOSUPTUQPW-UHFFFAOYSA-N 329.381 2.171 0 1 EEAF COC(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCC1CCCCC1 27559176 KDEBNKWOMWIFGB-OAHLLOKOSA-N 339.432 2.444 0 1 EEAF C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 34801560 DYVIFGMZZBTHOZ-KSSFIOAISA-N 331.412 2.448 0 1 EEAF O=C(NCc1nccs1)c1nc(-c2cccs2)nc(O)c1O 49066622 ZYDFILPHGMHKKL-UHFFFAOYSA-N 334.382 2.003 0 1 EEAF CCCc1cc(N2CCC(NC)CC2)nc2sc(C(N)=O)c(N)c12 45254262 FFUVIZUVYRPFAF-UHFFFAOYSA-N 347.488 2.118 0 1 EEAF NC(=O)c1ccc(N2CCN[C@H](c3ccccc3)C2)c2cccnc12 143647201 AWKXLJAIVDKYLK-KRWDZBQOSA-N 332.407 2.485 0 1 EEAF COC(=O)c1cccc2nc(CCNC(=O)Cc3ccccc3)[nH]c12 587229046 ZGRRQVIKNKGOCQ-UHFFFAOYSA-N 337.379 2.251 0 1 EEAF COc1cccc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1O 587786357 KWPZDUKZAVZXJI-UHFFFAOYSA-N 347.396 2.194 0 1 EEAF COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)N(N)C(=O)C[C@H]12 5848669 KAGWXCAUSLFFEO-MKSNKDDYSA-N 328.412 2.390 0 1 EEAF CCOC(=O)/C=C/CNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 1857637016 KOQCDJWSWRASPN-XEHSLEBBSA-N 342.436 2.161 0 1 EEAF C[C@@H]1O[C@H](OCCCCCCCCC=CC(=O)O)[C@H](O)C[C@@H]1O 2356344800 FDWVWTCEWSMDGI-MPTYRVRUSA-N 330.421 2.231 0 1 EEAF C[C@@H](NC(=O)OC1CCCCC1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 6576705 QTOGVWKNZNBBNK-QIRZIZBZSA-N 332.400 2.198 0 1 EEAF Cc1nc2cccnc2n1-c1ccc(C(=O)N2CCN(C)CC2)cc1 6900714 WOXXECOAJNJZQK-UHFFFAOYSA-N 335.411 2.117 0 1 EEAF CC1=CC2=c3cc(C)cc(C)c3=N[C@H](c3ccc4c(c3)OCO4)N2N1 104008920 PEWVISZKVYYVNV-FQEVSTJZSA-N 333.391 2.196 0 3 EEAF N[C@@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27190470 PYOHRNZMZWKZPJ-SNVBAGLBSA-N 345.374 2.101 0 1 EEAF C[C@H]1CCCC=C[C@@]2(O)CC(=O)c3c(cc(O)cc3O2)CC(=O)O1 2356549012 NXIOMVOFGLOKLL-VOJFVSQTSA-N 332.352 2.260 0 1 EEAF CC1(C)NC(=O)N(C[C@H](O)COc2ccc(C3CCCC3)cc2)C1=O 66075655 WULAWOWBKGPGCA-HNNXBMFYSA-N 346.427 2.414 0 1 EEAF COC1=C2C[C@H](C(C)(C)O)O[C@@H]2N(C)c2c1ccc(OC)c2OC 2356804065 AALRYELCQPWEHI-DYVFJYSZSA-N 335.400 2.397 0 1 EEAF O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)O 28864025 HPAKCEYAQQECIE-UMSGYPCISA-N 343.301 2.200 0 1 EEAF CS(=O)(=O)NCCCCCNc1nc(-c2nccs2)cs1 73169483 ZCUSPVGNTCQSAZ-UHFFFAOYSA-N 346.503 2.398 0 1 EEAF Cc1nnc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)o1 142082530 GYHCFZKUTSEBCZ-MWLCHTKSSA-N 332.364 2.322 0 1 EEAF CC(C)c1ccc(N2C(=O)N[C@H]3CCN(C(=O)C4CC4)[C@H]3C2=O)cc1 25410485 RUUSGCXOAXUTEX-JKSUJKDBSA-N 341.411 2.246 0 1 EEAF biogenic Cc1cc2nn[nH]c2cc1-c1cc(=O)n2ncc(-c3ccccn3)c2[nH]1 653665241 RDZGLUXPBVJCGG-UHFFFAOYSA-N 343.350 2.331 0 1 EEAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(Cl)nc3[nH]2)c1 587142037 KAOIXESQVLCVJD-UHFFFAOYSA-N 326.740 2.065 0 1 EEAF COc1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c1 586945751 LRGMMCUKMRXNKC-UHFFFAOYSA-N 335.385 2.189 0 1 EEAF CCOC(=O)[C@@H](CC)[C@@]1(COC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438800 IAJYDEKCVQPESL-PJIJBLCYSA-N 348.395 2.417 0 1 EEAF COCCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1OC 587558711 CJEUGRNSEGTJIO-UHFFFAOYSA-N 343.339 2.137 0 1 EEAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587164728 ZPXMYDJRBLVLMF-OAHLLOKOSA-N 348.403 2.000 0 1 EEAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC(=O)OC)(C(OC)OC)N1 962946813 JMKOEZRDQMXUIZ-CWTRNNRKSA-N 346.427 2.470 0 1 EEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cc(-c3ccncc3)[nH]n2)N1 962904180 NXRCQYNFCROOHZ-RDJZCZTQSA-N 338.342 2.299 0 1 EEAF C[C@H]1Cc2ccc(OC(=O)c3ccc(NC(=N)N)cc3)cc2OC1=O 1772622657 PIPIFEBBKGIHAC-JTQLQIEISA-N 339.351 2.309 0 1 EEAF Cc1noc(C)c1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1 1857564475 DWRKUZPUYCZCSQ-UHFFFAOYSA-N 341.477 2.176 0 1 EEAF COc1cc(CCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1 5891405 JLBRNZLHFGYLEL-UHFFFAOYSA-N 339.399 2.300 0 1 EEAF Cc1cc(-c2ccccc2)n(C(=O)Cn2nnc3ccccc3c2=O)n1 103206819 PANYQPBQJFEHFF-UHFFFAOYSA-N 345.362 2.304 0 1 EEAF CC(C)CNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](C)CN2 82211557 YZXTYBXWGIVVKU-ZDUSSCGKSA-N 328.416 2.113 0 1 EEAF CN(C)[C@@H]1CCN(C(=O)Cc2cccs2)[C@H]1Cc1ccncc1 96201004 QTGKQJAATXYPHT-SJORKVTESA-N 329.469 2.459 0 1 EEAF Cn1c2c(c3ccccc31)CC[C@H]1[C@H](CO)[C@H]3C[C@@H]2N1C/C3=C/CO 238758794 KMYCTELLNHGMNK-DLQZLTPBSA-N 338.451 2.397 0 1 EEAF CCn1c(=O)n(C(C)(C)C)c2cc(C(=O)c3cnn(C)c3O)ccc21 299868558 RTIMRSCEOBTDJY-UHFFFAOYSA-N 342.399 2.248 0 1 EEAF COc1ccc(CN2C[C@H]3CN(Cc4ccncc4)C(=O)[C@@H]3C2)cc1 299843548 UATOLFGRZJCWOU-PKOBYXMFSA-N 337.423 2.181 0 1 EEAF C[C@H]1CN(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)C[C@@H](C)O1 587655123 SDZTYHGMXUWHGS-TXEJJXNPSA-N 349.818 2.189 0 1 EEAF O=S(=O)(CCc1nc2ccnc(O)c2[nH]1)c1ccc2c(c1)CCC2 586923065 XJMBARNOMNQQST-UHFFFAOYSA-N 343.408 2.169 0 1 EEAF N[C@H]1CC[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 587247012 SDBHGOYWBWIACC-NJGYIYPDSA-N 348.575 2.421 0 1 EEAF COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1)(C(O)O)[C@@H](C2)C3=O 587422322 YKHIPDLJAJWMEU-UGSOOPFHSA-N 346.766 2.302 0 1 EEAF COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1NC(C)=O 587553324 GMDSETZGVILUMQ-UHFFFAOYSA-N 326.312 2.070 0 1 EEAF COc1cc2c3c(c1)O[C@H](C(C)(C)CN1CCN(C)CC1)[C@@H](C2)C3=O 587444461 QASODYDUJJPNJH-KXBFYZLASA-N 344.455 2.085 0 1 EEAF Nc1c(-c2nnc(S)n2-c2ccccc2)nnn1Cc1ccccc1 957883989 ITOBRXQRFKSTNA-UHFFFAOYSA-N 349.423 2.445 0 1 EEAF COC(=O)C1=NN(c2ccc(Oc3ccccc3)cc2)C(=O)CC1=O 957747932 HZTVWXCLNKJAGL-UHFFFAOYSA-N 338.319 2.314 0 1 EEAF CC[C@]1(Cn2cncn2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962617965 BDTYNFPUEFILTH-UGSOOPFHSA-N 330.432 2.477 0 1 EEAF N#CN1CC[C@H](NS(=O)(=O)Nc2cccc(-c3ccccc3)c2)C1 1857564871 LEVHNWAKTUBRIB-KRWDZBQOSA-N 342.424 2.155 0 1 EEAF N=c1[nH]cc(N2CCN(c3ccccc3-c3ccccc3)CC2)c(=N)[nH]1 1857595962 YWYMUWNXZFMLTG-UHFFFAOYSA-N 346.438 2.295 0 1 EEAF O=C(COC(=O)Cc1ccccc1)Nc1nnc(-c2ccccc2)o1 6086566 SEYPJFDFCSXYNE-UHFFFAOYSA-N 337.335 2.461 0 3 EEAF CC(=O)O[C@@H]1C[C@H]2C=CC[C@@H](O)[C@@H](C)C(=O)Nc3cc(O)cc1c3O2 2356808036 YJSOUILKFKROBD-KHTZZEJVSA-N 347.367 2.043 0 1 EEAF COC[C@H]1CN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)CCO1 210724230 PPIDYHAZFFBKOT-OAHLLOKOSA-N 349.394 2.348 0 1 EEAF Cc1cc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)ncc1C#N 143387344 LTNANJNSYOICCT-CQSZACIVSA-N 333.399 2.248 0 1 EEAF Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(OCC3CC3)c12 96911657 XJMBGDCQRMAPQG-UHFFFAOYSA-N 344.411 2.348 0 1 EEAF Cc1noc([C@H]2C[C@H]3OCC[C@@H]3N(Cc3ccc4c(c3)OCO4)C2)n1 299843792 YHTJAKOFYDMNEE-OFQRWUPVSA-N 343.383 2.254 0 1 EEAF CC(C)NC(=O)N[C@H]1CC[C@H](Nc2ncc3ccc(O)nc3n2)CC1 473126159 ZERPCBZTDATMJJ-JOCQHMNTSA-N 344.419 2.161 0 1 EEAF CS(=O)(=O)NCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587532514 NSNPEKNGEGTGGS-CYBMUJFWSA-N 337.441 2.229 0 1 EEAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587234852 JJRHCNPXHSBMCH-CRCLSJGQSA-N 330.132 2.453 0 1 EEAF CCOC(=O)C(=O)C[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442979 SCNDNOOXQGDQDR-XIKOKIGWSA-N 332.352 2.114 0 1 EEAF CCOC(=O)[C@]1(c2ccc[nH]2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437771 JTFQVDLGWKXOFV-XIKOKIGWSA-N 327.336 2.229 0 1 EEAF CCOC(=O)[C@@H]1[C@@H]2CC[C@]3(NC[C@@H]4CC(=O)N(C)c5cccc3c54)[C@H]21 963038654 ZNIRVEHPQJXLSU-QZQWXXKDSA-N 340.423 2.154 0 1 EEAF COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1C[C@H](OC)O[C@@H]1O2 13308648 QKCJGDIUSFKBPI-VZURXNMZSA-N 344.319 2.125 0 1 EEAF in-man O=S(=O)(CCC(F)(F)F)c1ccc2c(c1)CN[C@@H](CF)C2 14951670 PLAGCAJUHTWGBP-LLVKDONJSA-N 325.327 2.397 0 1 EEAF COCCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCSC)[C@H]1C 169712605 POFFHJOYUPFBAU-GWCFXTLKSA-N 343.445 2.083 0 1 EEAF COCCNC(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 167614745 CQVIMVKCAPIMNI-UHFFFAOYSA-N 340.383 2.006 0 1 EEAF CNC(=O)Oc1ccc(-c2cn3cc(OC(=O)NC)ccc3n2)cc1 1657517 DHHHNNMKGBRDRQ-UHFFFAOYSA-N 340.339 2.438 0 1 EEAF CC(C)[C@@H]1[C@H](O)[C@H](O)[C@@H]2[C@@H]3OCC4=C3[C@](C)(CC[C@@H]4O)CC[C@]12C 2356356876 FEEKQAGOFRYSCP-MOUJJLBJSA-N 336.472 2.267 0 1 EEAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4049321 PWBQLCUKFHNBBC-QBIMZIAESA-N 341.411 2.438 0 1 EEAF O=CN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 27851205 AHETZBHERXKVNO-GJZGRUSLSA-N 337.331 2.497 0 1 EEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cnc(C)c3)c(F)c21 26260577 FHRGQBHBRAUGIO-UHFFFAOYSA-N 333.294 2.492 0 1 EEAF COc1c(C)c2c(c(O)c1C/C=C(\C)CP(=O)(O)O)C(=O)OC2 36338579 AGGQRAVZPKFXET-XBXARRHUSA-N 342.284 2.046 0 1 EEAF Cc1cc(C)cc(NC(=O)c2cncc(N3C[C@@H]4CNC[C@@H]4C3)n2)c1 73195660 DCPRUMXYQANTJY-GASCZTMLSA-N 337.427 2.001 0 1 EEAF Nc1nc2c(c3nn(Cc4ccccc4)c(=O)n13)CCc1ccccc1-2 71318574 MBZHGMHPRPGZGE-UHFFFAOYSA-N 343.390 2.287 0 1 EEAF CN(Cc1ccccc1)C(=O)CC(=O)Oc1cccc(C(=O)O)c1 45338825 DZDLJYFCVMNKJX-UHFFFAOYSA-N 327.336 2.339 0 1 EEAF NCCCNC(=O)CO[C@H](c1ccccc1)c1cccnc1Cl 45188207 HJTSTIYUVUZUFN-MRXNPFEDSA-N 333.819 2.306 0 1 EEAF CCOC(=O)c1cccc(N(C)C2=NC(=N)NC3(CCCCC3)N2)c1 653700710 KRESEQQWQSUWIP-UHFFFAOYSA-N 343.431 2.443 0 1 EEAF O=C(O)CCc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cn1 587368457 KHYBGSCJHDVAFG-UHFFFAOYSA-N 346.730 2.169 0 1 EEAF CC(C)(C)OC(=O)N1CC[C@@H]2c3cc4c(O)nc(O)nc4nc3C[C@@H]21 587557922 MVGQWQDKKZVMRC-PELKAZGASA-N 344.371 2.085 0 1 EEAF NS(=O)(=O)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 586896590 UUSZPNHZHNBVBG-UHFFFAOYSA-N 345.424 2.481 0 1 EEAF O=C(CCO)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657328 YJCKTUQQAOJEQO-UHFFFAOYSA-N 330.290 2.364 0 1 EEAF CCOC(=O)C(=O)C[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587399797 MGSOIEVCZVGTHD-SFHVURJKSA-N 333.384 2.460 0 1 EEAF Cc1c(O)ccc2c1[C@]1(CC[C@@H](N)c3ccccc31)N[C@H](C(=O)O)C2 963505957 DDCGGXNFKYPQPH-GQIGUUNPSA-N 338.407 2.337 0 1 EEAF CCOC(=O)C[C@]1(C2(C)CC2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963466720 DXOJWJCWGAGFKE-DJJJIMSYSA-N 347.411 2.248 0 1 EEAF O=C(COC(=O)[C@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@@H]3C2)Nc1cccc(Cl)c1 169304353 MNBATSXGFCDNBK-HEBWXOEQSA-N 349.770 2.019 0 1 EEAF CCC[C@H]1CC2=C(OCC=N2)[C@]2(NC(=O)CC(=O)O)C=CCC[C@H]12 169692896 BSBXGNLUQCQTGK-JCGVRSQUSA-N 332.400 2.415 0 1 EEAF O[C@H](c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1 26008216 HEEFHYAIIXLPFX-SJORKVTESA-N 331.322 2.178 0 1 EEAF CC(C)NC(=O)c1cc([C@H]2CCCCN2C(=O)OCCF)on1 61930268 BKZNHQVLLSQVCC-GFCCVEGCSA-N 327.356 2.446 0 3 EEAF COc1ccc2nc(N3CCNC[C@H]3COc3cccnc3)oc2c1 114575026 XYSRATNRZNDHDH-ZDUSSCGKSA-N 340.383 2.089 0 1 EEAF O=C(O)C(=Cc1ccc(O)cc1)[C@H](C(=O)O)C(=O)c1ccc(O)cc1 2356464773 TUOXWFIJOOGTSU-HNNXBMFYSA-N 342.303 2.150 0 1 EEAF C[C@H](CO)[C@@H]1[C@H](O)[C@H](O)C2=CC3=C(CO)CCC[C@@]3(C)CC[C@@]21C 2356583904 MLRHGLBUEINMPQ-UDXCRLPVSA-N 336.472 2.172 0 1 EEAF COc1cccc(Cc2n[nH]c(N3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)c1 64559129 ZSHCKTLOVBHGKE-OKILXGFUSA-N 340.383 2.084 0 1 EEAF COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1O 14727364 MVJHAGLBHWPKLS-UHFFFAOYSA-N 346.291 2.300 0 1 EEAF biogenic,in-vitro CC(C)c1cccc2c1NC(=O)[C@@]21N(C)CC[C@@]12CN(C)CCC2=O 49072393 OTNYINMNXYBRAM-PMACEKPBSA-N 341.455 2.184 0 1 EEAF C[C@]1(CO)C(=O)OC[C@@]2(C)[C@@H]1CC[C@@]1(CO)c3cocc3CC[C@H]12 140493549 ADPDJDKFIYGJPX-XWCCPHMRSA-N 334.412 2.044 0 1 EEAF COc1ccc(N2C=C(c3ccccc3)[C@@H]3C(NN)=NC=N[C@@H]32)cc1 98082677 DQOHQIHEAVWGFL-IEBWSBKVSA-N 333.395 2.402 0 1 EEAF CCCc1c(O)ccc2c1O[C@](C(=O)O)([C@@H](C)/C=C/C(=O)O)CC2=O 587492792 YPBOSVGCELNGAW-SIXUFRDCSA-N 348.351 2.410 0 1 EEAF COc1cc2c3c(c1)OC1([C@H]4CC[C@H]1CC(C(N)=O)C4)[C@@H](C2)C3=O 587434000 ZAOVFWZAWMYHNN-PJRLKDSGSA-N 327.380 2.103 0 1 EEAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586962051 NYQARXKDNCUMBT-INWYIAFRSA-N 345.388 2.218 0 1 EEAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(O)nc(O)nc2[nH]1 587080177 NJHAIYSYYMFXFD-SECBINFHSA-N 344.762 2.141 0 1 EEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586962676 UONITQAUAATKBC-YFKPBYRVSA-N 349.347 2.331 0 1 EEAF Nc1ccnc2[nH]c(CNC(=O)c3cccc(C(F)(F)F)c3)nc12 587112407 UWXZJOZVJRRQPM-UHFFFAOYSA-N 335.289 2.489 0 1 EEAF COC(=O)c1cc([C@H]2c3c(F)cccc3C[C@H]3CCCN32)nn1C 963108471 PBIVIQRAGMMDEM-PXAZEXFGSA-N 329.375 2.456 0 1 EEAF COc1cc2c(cc1OC)[C@H](C(=O)NC(C)C)[C@H]1CCCCN1C2=O 5033966 YYTKSKISDNZTOL-PBHICJAKSA-N 346.427 2.320 0 3 EEAF CC[C@]1(O)CN(C)CC/C1=C\C=C1/C(=O)Nc2c(OC)cccc21 14612975 NXQBPTQPVWZSKU-CLEMLOHJSA-N 328.412 2.434 0 1 EEAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccco2)CC1 2356310909 UOVXKASBTAJDKS-RCCFBDPRSA-N 345.487 2.452 0 1 EEAF C/C=C(/C)C(=O)O[C@H](Cc1cc2c(cc1O)OC(=O)CC2)C(C)(C)O 59586377 UNRHZLPQQCVZIH-YLBKJFSISA-N 348.395 2.435 0 1 EEAF biogenic,in-vitro CCCn1ncc(-c2ccnc(N(C)Cc3nonc3C)n2)c1C 20166148 YZJCULMAWFCDQG-UHFFFAOYSA-N 327.392 2.386 0 1 EEAF N[C@@]1(C(=O)O)[C@@H](C(=O)O)[C@@H]2C[C@H]1[C@H](CCc1ccc(Cl)cc1)C2 64750177 YLNGRMQAPFTYDR-GJQWODOJSA-N 337.803 2.412 0 1 EEAF CCOC(=O)c1c(C)nc(N2CCOCC2)nc1-c1ccccc1 71294894 SSRCKMAICVNILM-UHFFFAOYSA-N 327.384 2.465 0 1 EEAF COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1 40979303 RHUXOEGREIFOAV-LJQANCHMSA-N 326.440 2.374 0 1 EEAF in-vitro CCOC(=O)c1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1 96270223 JSSVSAILWQCWQT-UHFFFAOYSA-N 336.351 2.257 0 1 EEAF Cc1nc2ccc(Cl)cc2c(=O)n1CC(=O)NCc1ccco1 299827704 QPSWRTYCVVJLGT-UHFFFAOYSA-N 331.759 2.268 0 1 EEAF CC(C)OC(=O)C1(c2nc3ccc(C(N)=O)cc3[nH]2)CC(F)(F)C1 587131582 OVAXEIIYSTXLDN-UHFFFAOYSA-N 337.326 2.280 0 1 EEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cccc(C(=O)O)c2[nH]1 587226248 XQSWEGNIJNPGKF-NSHDSACASA-N 339.351 2.345 0 1 EEAF COc1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2n1 587035180 PLSBQODIZKASOR-UHFFFAOYSA-N 328.397 2.447 0 1 EEAF CCOC(=O)C1=C[C@@H](COc2ccc3ccccc3c2C=O)ON1 958574776 DRMYOYQVYQSQNL-ZDUSSCGKSA-N 327.336 2.382 0 1 EEAF COC(=O)c1cc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)nn1C 963108474 PBIVIQRAGMMDEM-SJCJKPOMSA-N 329.375 2.456 0 1 EEAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2C2(CCOCC2)N1 962636031 ORXOZZWXXPCXEQ-SNVBAGLBSA-N 331.290 2.190 0 1 EEAF O=S(=O)(c1ccc(F)c(F)c1)N1CCC2(CC1)OCCS2 77187304 AKDOWGDOSDCWBY-UHFFFAOYSA-N 335.397 2.209 0 1 EEAF Cc1ccc(-c2c[nH]cc2S(=O)(=O)Cc2nnc(N)s2)cc1 1772589956 VRYRTBBRAYSNEI-UHFFFAOYSA-N 334.426 2.398 0 1 EEAF NS(=O)(=O)c1ccc(-n2cc(CSc3ccccc3)nn2)cc1 1772644159 YCQLKMQECMAFDL-UHFFFAOYSA-N 346.437 2.207 0 1 EEAF O=C1NC(Cc2ccccc2)=N[C@@H]2[C@H]1N=CN2CCc1ccccc1 1857566898 RCJMDIUPBUMMMA-MOPGFXCFSA-N 332.407 2.039 0 1 EEAF COCCOC(=O)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1857607524 FBJICLXCQCARMZ-QAPCUYQASA-N 344.455 2.333 0 1 EEAF N[C@@H](Cc1cccc(-c2ccccc2)c1CCP(=O)(O)O)C(=O)O 1535748 QPMMAMHOXNKQPX-INIZCTEOSA-N 349.323 2.028 0 1 EEAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccc(O)cc2C1 26661018 XMQQCJGFKWYSGJ-IBGZPJMESA-N 340.423 2.169 0 1 EEAF Cc1nccc(NC(=O)c2ccc(Br)cc2C(=O)O)n1 103233793 XPTZYUYHLHWETQ-UHFFFAOYSA-N 336.145 2.498 0 1 EEAF O=C(c1cccs1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 29057790 LQJQEXKZMOVICU-UHFFFAOYSA-N 330.756 2.462 0 1 EEAF COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(C)C 28010570 BJPOVHKQRRHFIB-UHFFFAOYSA-N 332.404 2.284 0 1 EEAF C[C@@H]1C(=O)[C@]23[C@@H](O)[C@@H]1CC[C@H]2[C@@]1(C)C[C@@H](O)CC(C)(C)[C@H]1C[C@H]3O 503897980 WIGBRVUOWQUTIV-TUDBBCKNSA-N 336.472 2.147 0 1 EEAF biogenic CC(C)N1CCN(C(=O)c2csc(CN3CCCCC3)n2)CC1 35840008 YKFKRDDXFWULSZ-UHFFFAOYSA-N 336.505 2.295 0 1 EEAF NC(=O)[C@@H]1CSc2cc(OCc3ccccc3F)ccc2CN1 1911582744 UNFDCYKZXDKXHK-HNNXBMFYSA-N 332.400 2.454 0 1 EEAF COc1cc2c(cc1O)[C@H]1Cc3c(cncc3[C@H](C)O)C(=O)N1CC2 13309744 DOJFCGWUFPORMP-MGPLVRAMSA-N 340.379 2.145 0 1 EEAF biogenic O=C1[C@@H]2C=C(Br)[C@@H](C[C@@H]2OCCCCCCO)[C@]12CO2 40898159 VHTXGBQCZVQBHU-UQFNBPPOSA-N 345.233 2.191 0 1 EEAF CC[C@H]1C[C@@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40411750 BQIUAFQWKFLQPF-WCQYABFASA-N 338.795 2.047 0 1 EEAF N[C@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(F)cc1F 587149440 GISDAKNAIULZJX-ZDUSSCGKSA-N 339.323 2.136 0 1 EEAF CC(C)(SCC(=O)O)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586959014 KOIYCMYOGDVZAS-UHFFFAOYSA-N 328.415 2.019 0 1 EEAF COc1ccc([C@H](O)[C@@H](C)c2nc3c(O)nc(S)nc3[nH]2)cc1 587936906 MZCDMEYLOXVWSX-RDDDGLTNSA-N 332.385 2.193 0 1 EEAF COc1cccc(CN2C[C@@H](C(=O)N3CCSCC3)CCC2=O)c1 12593736 NTBAIMZBNZUSMZ-HNNXBMFYSA-N 348.468 2.009 0 3 EEAF CCc1cc(Nc2cc(=O)n(CCCCCN)c(=O)[nH]2)ccc1C 13674972 DBKBQYJAUKSFCA-UHFFFAOYSA-N 330.432 2.280 0 1 EEAF CN(C)C[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 2356308519 YSOUPDHCLCMXHM-BQFCYCMXSA-N 334.391 2.493 0 1 EEAF COc1ncc2nc(-c3ccccc3)c(=O)n(C[C@H]3CCCO3)c2n1 4238236 OULWOPRNRGKOBX-CYBMUJFWSA-N 338.367 2.041 0 1 EEAF COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)COc2ccccc2)cc1 29471813 SFMAMDMWNAQZFI-MAUKXSAKSA-N 343.423 2.434 0 1 EEAF CCN1CCN([C@@H](c2ccccc2)c2nnnn2C(C)(C)C)CC1 22032549 JYYDZHORBXLXPS-INIZCTEOSA-N 328.464 2.155 0 3 EEAF CN1C(=O)c2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O 29483205 BNOONOJNPXRECE-UHFFFAOYSA-N 332.139 2.463 0 1 EEAF NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12 113880952 LZJSAQIUAQDIAJ-CQSZACIVSA-N 325.347 2.309 0 1 EEAF CC(=O)N1C[C@H]2CC[C@](C)(C1)c1ccc(OP(=O)(O)O)cc12 101193310 CIPTXXZNGNDHLX-IAQYHMDHSA-N 325.301 2.155 0 1 EEAF COc1cc2c(cc1OC)C(c1ccc(N)cc1)=Nn1cnnc1C2 29546636 GXZCMNAORQFJAG-UHFFFAOYSA-N 335.367 2.082 0 1 EEAF CCCC[C@@H](NC(=O)[C@H](N)C(C)C)C(=O)NCCCc1ccccc1 27741246 OGROYLSSMWEENY-QZTJIDSGSA-N 347.503 2.394 0 1 EEAF CN1c2ccccc2[C@]2([C@]34CCN[C@@H]3N(C)c3ccccc34)CCN[C@@H]12 2356566493 JKUVEXHEQZKNSO-ZDNVTZCJSA-N 346.478 2.401 0 1 EEAF CC1(C)Oc2cc(OC(=O)c3cc(O)cc(O)c3)ccc2C[C@H]1O 72175325 YOXVCHYRSQODQY-MRXNPFEDSA-N 330.336 2.391 0 1 EEAF COCCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 82141819 HFGUSCWULDYFMA-UHFFFAOYSA-N 344.415 2.493 0 1 EEAF C[C@@H](CO)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142945859 CGAIENVNQZIGEE-LURJTMIESA-N 333.241 2.005 0 1 EEAF C=CS(=O)(=O)N1CCN(c2cccc(OC(F)(F)F)c2)CC1 618020173 ANYZKIABLMEGPZ-UHFFFAOYSA-N 336.335 2.181 0 1 EEAF C1CCCC(N2CN=C(N[C@@H]3N[C@H]4CCCC[C@@H]4S3)NC2)CC1 299811088 VWYPFCRPUPGYHO-ZOBUZTSGSA-N 337.537 2.406 0 1 EEAF O=S(=O)(c1ccc2nc(C3=CCCC3)[nH]c2c1)N1CCOCC1 586885530 VUZCRCBHHTUBGE-UHFFFAOYSA-N 333.413 2.151 0 1 EEAF CCCS(=O)(=O)N1CCC(c2nc3c(C)nc(C)cc3[nH]2)CC1 586952274 HGLKKRZNBXSORY-UHFFFAOYSA-N 336.461 2.494 0 1 EEAF CC(C)(C)OC(=O)N1CC[C@@H](c2ccc3c(O)nc(O)nc3n2)C1 587559504 YXGPVBMLQJJMSI-SECBINFHSA-N 332.360 2.160 0 1 EEAF COC(=O)c1ccc2[nH]c(-c3cccnc3N(C)C)nc2c1OC 587196159 RECJCHZTAYCUBP-UHFFFAOYSA-N 326.356 2.486 0 1 EEAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(F)c(F)cc3[nH]2)c1 587142000 IDXNFUPPQYPQGU-UHFFFAOYSA-N 327.287 2.295 0 1 EEAF C[C@]1(c2cccc3c2OCO3)N[C@H](C(=O)O)Cc2cccc(F)c21 962909378 XBTRXIJNKGYVQM-SCLBCKFNSA-N 329.327 2.417 0 1 EEAF Cc1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)on1 12718925 KZCUQBIPWGOUAK-AWEZNQCLSA-N 345.374 2.177 0 3 EEAF CCOC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)[C@H](C(C)=O)[C@H]1C 13816405 DNHKQFBGGUUIKG-SKDZVZGDSA-N 346.427 2.170 0 3 EEAF COc1ccc(P(=O)(O)O)cc1-c1nc(N)sc1C(C)C 66102623 AFDPQACGMIKGBT-UHFFFAOYSA-N 328.330 2.327 0 1 EEAF O=C1NC(=O)[C@@]2(CN(Cc3ccc(F)cc3)c3ccc(F)cc32)N1 28229376 FTLOLNISQBDXGP-KRWDZBQOSA-N 329.306 2.020 0 1 EEAF Cn1nc(-c2ccc(C(N)=O)c(O)c2)s/c1=N\C1CCCCC1 28374039 COFGHUOJFZGYFU-VLGSPTGOSA-N 332.429 2.187 0 1 EEAF O=C1C[C@@H]2[C@@H]3CC[C@H](O)c4c(O)ccc(c43)[C@@]2(O)c2cccc(O)c21 2356719820 JANZOCFCNANROF-LYBMIRFLSA-N 338.359 2.461 0 1 EEAF CC1(C)C[C@H](O)C[C@]2(C)[C@@H]1[C@H](O)C[C@@]13C[C@@H](CC[C@@H]21)[C@](O)(CO)C3 2356733616 KNCLQQIOJPEOIX-FRMIOYGGSA-N 338.488 2.084 0 1 EEAF O[C@@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 49802634 HKIWVNOCBNBVAO-QYZOEREBSA-N 325.408 2.416 0 1 EEAF Cn1ncc2c1C(C)(C)CCN(C1[C@H]3CC4C[C@@H]1CC(O)(C4)C3)C2=O 95591260 KJNGBIARSCJULD-JTNPJKAGSA-N 343.471 2.483 0 1 EEAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(O)nc(S)nc2[nH]1 587175789 WDGJLMSCGZMCLV-SECBINFHSA-N 344.375 2.210 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N)nc2)N1 587748274 VZYRGYYDEJDVSS-UHLUBPPHSA-N 337.196 2.584 0 1 EEAF O=C(O)c1cccc2c1CCN[C@]2(c1ccccc1)[C@H]1C[C@@H]1C(=O)O 963117465 FAUCRKLQSPHOBJ-KNBMTAEXSA-N 337.375 2.495 0 1 EEAF COC(=O)C[C@]1(c2ccc(OC)cc2)NCCc2ccc(O)cc21 963331146 XZVCGWNVDVLYFV-LJQANCHMSA-N 327.380 2.353 0 1 EEAF CCOC(=O)c1sc(Nc2ncccn2)nc1-c1cnccn1 1772643722 YVLFXMNMQJJQDT-UHFFFAOYSA-N 328.357 2.310 0 1 EEAF N[C@@H]1C=C(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 13651583 MERIRYSIMGJDOM-VIFPVBQESA-N 329.331 2.073 0 1 EEAF CC(/C=C/C(=O)N[C@H](CO)Cc1ccc(O)cc1)=C\[C@@H](C)CC(=O)O 15212935 PWIPPVISROQJBU-WPKFFLLISA-N 347.411 2.025 0 1 EEAF COc1cc(O)c(C(N)=O)c2oc(C(=O)NC3CCCC3)c(C)c12 1857651163 DHYSCMNTYKVPAS-UHFFFAOYSA-N 332.356 2.227 0 1 EEAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCO)c(OC)c1 2485773 VUHJCQIBCPHNGF-UHFFFAOYSA-N 348.399 2.378 0 1 EEAF O=Cc1c2n(c3ccccc13)N[C@@](Cc1ccc(O)cc1)(C(=O)O)C2 6010217 VCMFYNNPHAYLGE-LJQANCHMSA-N 336.347 2.325 0 1 EEAF Cc1ccccc1OS(=O)(=O)c1ccc(N2CCNC2=O)cc1 72107148 RRCHGALURYBSSB-UHFFFAOYSA-N 332.381 2.292 0 1 EEAF C[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]12CO[C@H](O)[C@H]1C(C)(C)CC[C@@H]2OC3=O 2356654195 WSRQDGKCDIHPPB-MOSMZDKMSA-N 348.439 2.305 0 1 EEAF Cc1ccc(CC[C@H](C)NC[C@H](O)c2ccc(O)c(C(N)=O)c2)cc1 27740188 AFPUMQIMYZURNH-LIRRHRJNSA-N 342.439 2.444 0 1 EEAF CCCNC(=O)[C@@]1(C)CCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 61925495 NOJVGUIZLBLNLE-IBGZPJMESA-N 348.443 2.011 0 3 EEAF C[C@@H]1CCC/C=C/[C@]2(O)CC(=O)c3c(cc(O)cc3O2)CC(=O)O1 212667586 NXIOMVOFGLOKLL-DLRYPOKFSA-N 332.352 2.260 0 1 EEAF COc1ccc([Si](C)(C)c2cc(OC)c(OC)c(OC)c2)cc1O 210377701 YBAYJPQARJKVSQ-UHFFFAOYSA-N 348.471 2.249 0 1 EEAF CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4ccccn4)cc32)N=C1N 95603942 DCRSZXJBBQEETJ-LJQANCHMSA-N 336.395 2.292 0 1 EEAF CC1(C)CC(=O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@]12O)[C@@](O)(CO)C3 238752030 HBNVVMQCGSVOKF-VTXSFXCNSA-N 336.472 2.437 0 1 EEAF CCN1Cc2cc(F)ccc2N(C[C@H](O)C(F)(F)F)CCC1=O 299851347 FJKCBVLHGQPHEG-ZDUSSCGKSA-N 334.313 2.308 0 1 EEAF O=C(c1ccc(F)cc1)N1C[C@H]2COC[C@@]2(COc2cccnc2)C1 299842188 LAUSYQCTGYBGBE-HNAYVOBHSA-N 342.370 2.388 0 1 EEAF Cn1cc(-c2nc(Cc3ccc(-c4cnc(N)nc4)cc3)no2)cn1 299861145 KOSJBISHKMJPBO-UHFFFAOYSA-N 333.355 2.100 0 1 EEAF NC(=O)c1cccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 586913461 OYKVQVDIMUNZFH-UHFFFAOYSA-N 337.379 2.464 0 1 EEAF Cc1csc([C@](O)(Cc2nc3ncc[nH]c-3n2)C(F)(F)F)n1 587094080 JMAUKKXUMOASST-LLVKDONJSA-N 329.307 2.062 0 1 EEAF COC(=O)Nc1ccc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cn1 587244803 KUHGAAZQGAECQX-UHFFFAOYSA-N 348.340 2.050 0 1 EEAF CCOCCCN1CC[C@]2(NCCc3c(C(=O)O)cccc32)[C@@H](C)C1 963130465 JBCZTNZVFDXBPO-YWZLYKJASA-N 346.471 2.494 0 1 EEAF COc1ccc(-c2cnc3sc(NCCCO)nn23)cc1OC 117603261 SGHMDNFNVXSRLW-UHFFFAOYSA-N 334.401 2.269 0 1 EEAF Cc1cccc(C)c1OCc1cc(C(=O)NC[C@H]2COCCO2)no1 12315585 FFNGXQOSCFVNBU-HNNXBMFYSA-N 346.383 2.016 0 3 EEAF C/C=C(\C)C(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1 13515885 UPVPJQNTGLTBPC-YDSNIZARSA-N 346.471 2.360 0 1 EEAF CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)/C=C\c3ccccc3)C[C@@H]1N2C 169352086 QKTXQEDBXGTOFH-KHQYSNIRSA-N 329.396 2.410 0 1 EEAF Cc1cccc(C(=O)Oc2ccc(C[C@@H]3NC(=S)NC3=O)cc2)c1 103199766 HPWZRYKXWFIOMC-HNNXBMFYSA-N 340.404 2.130 0 1 EEAF COc1cccc(CCN2[C@H]3[C@H]4[C@H]5[C@@H]6[C@@H]7C[C@H]5[C@@H]3[C@H]7[C@]2(O)[C@H]64)c1OC 101591945 FOTUXOOYRRRHFQ-ZMVVARFJSA-N 339.435 2.007 0 1 EEAF CCc1nn(C)c(C(=O)NCc2ccc([S@@](C)=O)cc2)c1Cl 103196440 ZPOUPQBWHUVYIL-QFIPXVFZSA-N 339.848 2.303 0 1 EEAF C/C=C1/CN2[C@H]3C[C@H]1[C@](O)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 101269047 OKMCUGQBUHYVEP-HWELYSQWSA-N 338.407 2.320 0 1 EEAF CNC(=O)[C@H]1CCC[C@H]1n1cnc2c(NC3CCCC3)ncnc21 29132524 GCHUIWVKXAQACX-QWHCGFSZSA-N 328.420 2.268 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3C4=C(CCCC4(C)C)[C@@H](O)[C@H]23)OC1=O 2356535524 CDBBMEYPRMUMTR-CLWVCHIJSA-N 346.379 2.139 0 1 EEAF CCNC(=O)[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)CC1 61907153 ZICRLQLDVPONFA-CYBMUJFWSA-N 326.400 2.008 0 3 EEAF O=c1cc(N2CCOCC2)nc2n(Cc3ccc(Cl)cc3)ccn12 73310873 BOILDBASEKUBPD-UHFFFAOYSA-N 344.802 2.034 0 1 EEAF CC(C)c1cccc(C(C)C)c1OC(=O)COC(C(=O)O)C(=O)O 1911579682 VPSODGBZWJMRDN-UHFFFAOYSA-N 338.356 2.393 0 1 EEAF CO[C@@H]1C=CC2=CC(=O)N3CCCc4cc5c(cc4[C@]23C1)OCO5 14692289 LSHGROWWKJBPBW-KUHUBIRLSA-N 325.364 2.300 0 1 EEAF biogenic CC(=O)Nc1nc(N[C@H](C(=O)OC(C)(C)C)C(C)C)c2nc[nH]c2n1 653878484 LKHVLGXQUADFHU-JTQLQIEISA-N 348.407 2.090 0 1 EEAF CC(=O)Oc1ccccc1[C@H]1CC(C)=NN1C(=O)CN1CCCC1 653735485 QNHDEBSXQZNBKQ-MRXNPFEDSA-N 329.400 2.357 0 1 EEAF Oc1nncc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006644 MRWNDIMYNCVOGE-UHFFFAOYSA-N 331.133 2.136 0 1 EEAF CCS(=O)(=O)c1ccc2nc(-c3c(N)cccc3C(=O)O)[nH]c2c1 587250806 RXIKGCSCVSVZKO-UHFFFAOYSA-N 345.380 2.304 0 1 EEAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(C(N)=O)cc3[nH]1)C2 587247224 MNAHKRMHXLXCQJ-LJQANCHMSA-N 336.395 2.013 0 1 EEAF COc1ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2n1 587194612 WGGDZOQTXPCZLT-LBPRGKRZSA-N 349.435 2.484 0 1 EEAF COc1cc2c(cc1OC)[C@](C)(c1cc(CO)on1)N(C)[C@H](C)C2 962625409 DWWXZYDACJQHGW-ADLMAVQZSA-N 332.400 2.324 0 1 EEAF Cc1cc2c(cc1O)[C@H](c1cn(C)c3ncccc13)N[C@H](C(=O)O)C2 963475031 ZDCXTYHDMXWVRN-DOTOQJQBSA-N 337.379 2.276 0 1 EEAF CCc1ccc(CCN(C)C2CCN(c3nc(N)n[nH]3)CC2)cc1 1772644550 KCPPNISJBNUOCB-UHFFFAOYSA-N 328.464 2.093 0 1 EEAF Nc1ncc2c(n1)CCN(c1cccc(C(=O)NC3CCCC3)c1)C2 169710057 IXPCSLBRYVUCTH-UHFFFAOYSA-N 337.427 2.294 0 1 EEAF N#CN1C[C@H]2CCN(C(=O)c3ccc(-c4ccccc4)nc3O)[C@H]2C1 1857576861 FQHFJZFHCGXUKQ-PBHICJAKSA-N 334.379 2.082 0 1 EEAF N=c1nc(-c2ccccc2CO)[nH]c(=NCCCCc2ccccc2)[nH]1 1857596507 RYAMWPNARRKCJJ-UHFFFAOYSA-N 349.438 2.300 0 1 EEAF O=c1c(-c2ccccc2)nc2cnc(N3CCOCC3)nc2n1C1CC1 4238873 PUSWXRFYDVIWLZ-UHFFFAOYSA-N 349.394 2.025 0 1 EEAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccccc3C)c2n1 28571024 KFHLQCOJZIEYNG-UHFFFAOYSA-N 326.404 2.271 0 1 EEAF O=C(O)c1c(O)cc2c(c1O)[C@H](O)O[C@H](CCCCCCCO)C2 2356719419 XYOMNNRURKEWJB-PIGZYNQJSA-N 340.372 2.061 0 1 EEAF COCc1cc([C@H](O)CN[C@@H](C)Cc2ccc(O)cc2)ccc1O 39238208 HPLAQRGSSDBWBB-ORAYPTAESA-N 331.412 2.498 0 1 EEAF C[C@H](NC(=O)c1nc(N2CCOCC2)n2ccccc12)C(C)(C)C 68107032 FRHXRBRPPJRCHR-ZDUSSCGKSA-N 330.432 2.335 0 1 EEAF C[C@@H]1C[C@@H]2O[C@@H]2CCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 14614727 YXPSTSCHAVSCKS-GTTSAUCSSA-N 334.368 2.486 0 1 EEAF biogenic CN1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 95875503 IONGPUPOKVRUOO-OAGGEKHMSA-N 339.277 2.303 0 1 EEAF COc1cc2c(cc1OC)=C1C=Cc3cc4c(cc3[C@H]1N(C)C=2)OCO4 95486030 CUPJBBLOERFPFT-NRFANRHFSA-N 349.386 2.035 0 1 EEAF biogenic,in-vitro CC(C)(C)OC(=O)NCc1nc(-c2nc3cnnc(O)c3[nH]2)cs1 587014193 MDVLQKHVCJDBNB-UHFFFAOYSA-N 348.388 2.207 0 1 EEAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(F)ccc41)[C@@H](C2)C3=O 587427095 GSYKDAHTXTXAHM-SGTLLEGYSA-N 325.295 2.429 0 1 EEAF O=C(NC1CC1)C1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1 11815495 DOHHXRLLEQMWDT-UHFFFAOYSA-N 345.487 2.078 0 1 EEAF CCOC(=O)N1CCN(c2nc3cccnc3n3cccc23)CC1 13762476 URLYEVZCOFLWKV-UHFFFAOYSA-N 325.372 2.161 0 1 EEAF CN1C(=O)C(NCc2ccncc2)=C(c2cn(C)c3ccccc23)C1=O 1857558101 GZKJVUANISSORI-UHFFFAOYSA-N 346.390 2.073 0 1 EEAF CN1c2cccnc2CN(C(=O)NC2CCCCC2)CC[C@@H]1CO 2356442883 SWIUPMJVRFVMRQ-OAHLLOKOSA-N 332.448 2.127 0 1 EEAF Fc1cnccc1CN1C[C@@H](F)[C@H](OCc2nc3cnccc3[nH]2)C1 2356299263 DETLPJFARYTVBO-CZUORRHYSA-N 345.353 2.231 0 1 EEAF COCc1cc(/C=C/c2ccccc2OC[C@@H](O)CNC2CC2)on1 29248319 XAJFWHVOWDWLIO-NADMHLTPSA-N 344.411 2.483 0 1 EEAF N[C@@H](CCCCNC(=O)COc1ccc(Cl)cc1Cl)C(=O)O 103274073 FCYZQCWMUWZWEC-NSHDSACASA-N 349.214 2.071 0 1 EEAF CN(C)c1cccc(-c2nc(N3CCC(C(N)=O)CC3)ncc2F)c1 66167180 XCDATJSOJQGGRU-UHFFFAOYSA-N 343.406 2.050 0 1 EEAF CCN1CCC[C@H]1CNCCCn1cnc2c(SC)ncnc21 61922440 JPTPYKIZEULBMM-ZDUSSCGKSA-N 334.493 2.012 0 3 EEAF CC(C)c1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O 82231397 RWDGHEIULKUYLO-UHFFFAOYSA-N 338.411 2.440 0 1 EEAF CNC(=O)c1c(=O)n2c(c3[nH]c4ccccc4c13)C(=O)c1ccccc1-2 238784109 JKLIXZHSWNFAPY-UHFFFAOYSA-N 343.342 2.376 0 1 EEAF CNC(=O)[C@H]1C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 587235086 KWYKSCQGRQSENL-UHNVWZDZSA-N 329.585 2.223 0 1 EEAF CCCC[C@@]1(C(=O)OCC)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963529243 WJVRSQSEKPMMHX-KBXCAEBGSA-N 335.400 2.248 0 1 EEAF COc1ccc(CN(C)[C@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]3C(=O)[C@@H]3[C@@H]5[C@H]4[C@@H]23)cc1OC 205438717 LNTMHZZRTAQEJQ-ZVOKQNHLSA-N 339.435 2.461 0 1 EEAF NC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)Nc2nccnc2S3)C1 135942191 DQXILTYTQUGFKH-GFCCVEGCSA-N 341.440 2.382 0 1 EEAF COc1ccc(CN2CC[C@@H]3C=CC[C@H](C(=O)O)[C@@H]3C2=O)cc1OC 13829868 DTZAJVAQVWFENG-GRDNDAEWSA-N 345.395 2.329 0 1 EEAF CCCCN(CC)CCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O 4034778 IYBVMICTDCGOGB-KRWDZBQOSA-N 347.459 2.405 0 3 EEAF C[C@H]1CCCC[C@@H]1NC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O 6732950 ODDIECAGMQFRTG-RYUDHWBXSA-N 349.456 2.226 0 1 EEAF O[C@H](c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1 26008202 HEEFHYAIIXLPFX-IAGOWNOFSA-N 331.322 2.178 0 1 EEAF C[C@H](NC(=O)COC(=O)c1ccc(CO)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101834384 XJGWAXYGPLSXAE-LBRJOISOSA-N 331.412 2.277 0 1 EEAF Cc1cc(C2=NNC(=O)[C@@H](C)c3cc4c(cc32)OCCO4)ccc1N 29123858 VPGHDYUAMBLYSB-NSHDSACASA-N 337.379 2.334 0 1 EEAF CO[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@]2(O)[C@H](CC2(C)C)[C@H](CO)C1 2356668870 FBYOODMLZCFCSM-VNIVASGNSA-N 326.433 2.059 0 1 EEAF CCCCCC[C@@H]1C(=O)N[C@]2([C@H](O)[C@H]3C=CCCC3)C(=O)O[C@]12C 13397117 KAZLTNBVAYOUNF-OHIZHGFFSA-N 335.444 2.474 0 1 EEAF biogenic CC[C@@H](C)Oc1ccc(CCCON2C(N)=NC(N)=NC2(C)C)cc1 45193365 QMJDINNMDHOUBT-CYBMUJFWSA-N 347.463 2.409 0 1 EEAF CNC(=O)[C@@H](Oc1ccc(Br)cc1)c1csnn1 40577198 FFIKYNOASMRBLW-JTQLQIEISA-N 328.191 2.167 0 1 EEAF CC[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(C(C)C)c2=O)N1 82224317 HWEZRRFOVODDLY-AWEZNQCLSA-N 328.416 2.407 0 1 EEAF O=C1c2ccc(N3CCCCC3)cc2-n2c1nc1ncccc1c2=O 95604001 PBQYJODZQQZOBD-UHFFFAOYSA-N 332.363 2.315 0 1 EEAF Cn1cncc1C(=O)c1c(CO)oc2cc(Br)cnc12 587275439 AUQYNHJUCLWQJQ-UHFFFAOYSA-N 336.145 2.047 0 1 EEAF CCOC(=O)C(=O)[C@@H]1CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587439951 DVIALYUYXSDINC-XEKQOVJPSA-N 344.363 2.114 0 1 EEAF CS(=O)(=O)c1ccc2[nH]c(-c3ccncc3)c(CC(=O)O)c2c1 587650782 DQJBZLZTVBTNQG-UHFFFAOYSA-N 330.365 2.261 0 1 EEAF CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]2c1ccc2c(O)nc(O)nc2n1 587557539 JWJWYHRPQDZOIS-GGZOMVNGSA-N 344.371 2.159 0 1 EEAF COc1ccccc1C(=O)NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 13454197 UKMATDGDVREYGK-AGUYFDCRSA-N 331.416 2.150 0 1 EEAF N=C(N)c1ccc2oc(C(=O)NCCCCCCC(=O)O)cc2c1 13764969 DOAASMJVXNOZCC-UHFFFAOYSA-N 331.372 2.482 0 1 EEAF CC1=C[C@@H](O/C=C2\C(=O)O[C@@H]3[C@H]2C=C2CCCC(C)(C)[C@]23O)OC1=O 14416215 FIKOOQXJBAJJSE-GEAYFWMUSA-N 346.379 2.139 0 1 EEAF endogenous,in-man CCOC(=O)/C(=C/c1ccc(Br)cc1)Cn1cnnn1 169321224 DXRQGAJWJBXQBD-YRNVUSSQSA-N 337.177 2.082 0 1 EEAF Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 3994669 JZTOUVBEZONDKA-UONOGXRCSA-N 340.431 2.309 0 1 EEAF NC(=O)c1ccc2[nH]c(-c3ccc(O[C@@H]4CCCNC4)cc3)nc2c1 28959937 KXSKDAVOXPPJKO-OAHLLOKOSA-N 336.395 2.460 0 1 EEAF CCOC(=O)CN1CCc2c(sc(N)c2C(=O)c2ccccc2)C1 29571012 ZUAYYFLMNWCTOG-UHFFFAOYSA-N 344.436 2.483 0 1 EEAF CC(C)Oc1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1 117534576 XAQQOGZYOJAKKO-UHFFFAOYSA-N 330.340 2.056 0 1 EEAF C[C@]12CC[C@H](O)[C@@H]3COC(=C31)C(=O)c1cc3c(cc12)C(=O)CC[C@@H]3O 14723535 LDBFCXDBDKSROL-VOOFSGFHSA-N 340.375 2.206 0 1 EEAF biogenic CO[C@H]1C=CC2=CCN3CCC(=O)c4cc5c(cc4[C@@]23C1)OCO5 14692298 DOJXTMYNRCGFBG-ORAYPTAESA-N 325.364 2.414 0 1 EEAF biogenic Cc1nn(-c2ccccc2)c2cc(N3CC(N4CCNCC4)C3)ccc12 147351979 JZGMJZBFKJYIRX-UHFFFAOYSA-N 347.466 2.428 0 1 EEAF COc1cc2oc(C)cc(=O)c2c(O)c1C[C@@H](C)C(=O)C[C@H](C)O 238748648 IIUMSUVLRUBHEB-ZJUUUORDSA-N 334.368 2.334 0 1 EEAF CCS(=O)(=O)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 586969772 YAHGJGMLHBFPHK-UHFFFAOYSA-N 349.437 2.282 0 1 EEAF CCCc1c(O)ccc2c1O[C@@]1(CCNC[C@H]1C(=O)OCC)CC2=O 587478448 ATQXPXSKPAWSFJ-LIRRHRJNSA-N 347.411 2.221 0 1 EEAF CNS(=O)(=O)c1cc(-c2nc3c(ccc4ncccc43)[nH]2)n(C)c1 586947648 XYLXDQSIATUGDO-UHFFFAOYSA-N 341.396 2.025 0 1 EEAF COc1cc2c3c(c1)O[C@H](c1cn(Cc4cccnc4)nn1)[C@@H](C2)C3=O 587439571 VIOCNRZSKDFGAH-LIRRHRJNSA-N 348.362 2.219 0 1 EEAF COc1cc2c3c(c1)O[C@@H](Cn1c(=O)oc4ccccc41)[C@@H](C2)C3=O 587436434 QSVTYMADEQCJNA-WBMJQRKESA-N 337.331 2.419 0 1 EEAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(N)nccc3[nH]2)cc1 586937367 CTASCDSLYUFLBI-JTQLQIEISA-N 345.428 2.284 0 1 EEAF CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(I)cc2[nH]1 587234720 IHXCYULWZZGQAI-HTQZYQBOSA-N 341.152 2.017 0 1 EEAF CC1(C)COC2(C[C@@H]3Cc4nc5nc(O)nc(O)c5cc4[C@@H]3C2)OC1 587563214 PSPCCBQHYZARHQ-JOYOIKCWSA-N 343.383 2.255 0 1 EEAF Cc1ccnc2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc12 586931452 CTFUQXOSZZVUPM-UHFFFAOYSA-N 346.412 2.096 0 1 EEAF Oc1nc(O)c2cc(Cc3ccccc3)c([C@@H]3CCCNC3)nc2n1 587556575 WPJAQRZZWBJUHZ-CYBMUJFWSA-N 336.395 2.494 0 1 EEAF CCCOc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169303072 FSCQVYBJKCUYMM-YMDJXIFWSA-N 327.424 2.281 0 1 EEAF CC(=O)c1cc(NC(=O)C(C)C)ccc1OC[C@@H](O)CNC(C)C 169334075 DCKOWHKNPJVPSY-HNNXBMFYSA-N 336.432 2.221 0 1 EEAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 234228 KGYBGXTUVDYEFB-YQQAZPJKSA-N 328.368 2.259 0 1 EEAF c1ccc2c(N3CCNCC3)nc(-c3ccc4c(c3)OCO4)nc2c1 4267513 HJZUDGZNNHAQQW-UHFFFAOYSA-N 334.379 2.435 0 1 EEAF CC1=C[C@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@@](C)(O)C=C2[C@H]1O)C3(C)C 2356420220 SMGFYRJTHUJGEK-JPBZGJRPSA-N 334.456 2.377 0 1 EEAF C[C@@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)NC1CCOCC1 2356562739 BXWMAAASXVYQIB-SNVBAGLBSA-N 334.347 2.443 0 1 EEAF O=C(c1ccno1)N1C[C@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356586389 XWSHZDAMAMPHDE-IINYFYTJSA-N 348.309 2.069 0 1 EEAF CC(C)=CC(=O)OC[C@@](C)(O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 13334904 RPHYICPLIPKTPR-VQIMIIECSA-N 344.363 2.357 0 1 EEAF biogenic CCOC(=O)C(=CNc1cccc(C(=O)OCC)c1)C(=O)OCC 45373758 STXRQCDWDDSVRQ-UHFFFAOYSA-N 335.356 2.285 0 1 EEAF COc1ccccc1[C@H]1SCCC(=O)N1NC(=O)c1ccncc1 84632821 BQOMLZVTHYMJPX-QGZVFWFLSA-N 343.408 2.399 0 1 EEAF COc1ccc([C@@H]2Oc3ccc(C=O)cc3O[C@H]2CO)cc1OC 653695810 NMXWASPLZRTFRJ-ROUUACIJSA-N 330.336 2.390 0 1 EEAF O=C1COc2cc3[nH]c(C45CCC(CO)(CC4)CC5)nc3cc2N1 586900039 ZYXHDIOGPJTORC-UHFFFAOYSA-N 327.384 2.478 0 1 EEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(Cl)ncnc2[nH]1 587226472 ZMVGPVFNZYFFHK-SECBINFHSA-N 331.763 2.090 0 1 EEAF COCCNC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868641 NUENBRSJZMUIDS-UHFFFAOYSA-N 344.293 2.177 0 1 EEAF COc1ccc2c(c1OC)C(=O)O[C@@H]2NNc1ccccc1C(=O)O 5676273 ARGKHSFESSBYCO-HNNXBMFYSA-N 344.323 2.188 0 1 EEAF biogenic N[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CCC2)C1 5932811 ANWORFUZTMTZBY-JTQLQIEISA-N 345.374 2.101 0 1 EEAF COc1cccnc1-n1ccnc1[S@@](=O)Cc1ccccc1N 13746204 SCBPGXNTPIQNJW-HSZRJFAPSA-N 328.397 2.166 0 1 EEAF C[C@@]12CC[C@H]3C[C@@]1(C(=O)N1CCN(c4ccccn4)CC1)OC[C@]32C 169295170 TUCNDMSBQIUJQC-LDTOTXGLSA-N 341.455 2.326 0 1 EEAF CCN1CNS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc21 169325240 YLYLRUIWEKPLMC-UHFFFAOYSA-N 331.397 2.015 0 1 EEAF Cc1n[nH]cc1-c1nc2cnccc2c(=NC(C)(C)CC(C)(C)O)[nH]1 1857568794 FDWLVSOIZUQCKU-UHFFFAOYSA-N 340.431 2.497 0 1 EEAF CN1CC(=O)N(c2cccc(Cc3nnc(O)c4ccccc34)c2)C1=O 1857612630 OEQWTGLPTHYLKV-UHFFFAOYSA-N 348.362 2.325 0 1 EEAF CC(C)[C@H]1C[C@@H](O)[C@]2(C)C[C@H]3[C@@H]([C@H](O)C[C@H]3CO)[C@@](C)(O)CC=C12 1857771067 KRGUNUMKPQQOQA-OKQFKRJUSA-N 338.488 2.106 0 1 EEAF O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(F)cc1 3030038 JOIJTDPRZVSUQO-UHFFFAOYSA-N 327.311 2.255 0 3 EEAF CN(C)CCCCN1C(=O)C[C@@]2(CCCc3ccc(O)cc32)C1=O 3631744 UBEHQYMQRWDKNH-LJQANCHMSA-N 330.428 2.067 0 1 EEAF COC(=O)C=CNC(=O)c1cc2c([nH]c3ccccc32)c([C@H](C)O)n1 2356428770 WZPSGPNOBZBZCX-JTQLQIEISA-N 339.351 2.186 0 1 EEAF Oc1c2c(nn1-c1ccc(OC(F)F)cc1)[C@@H]1COCC[C@@H]1N=C2 27088421 QVOYXYWXOMVGNY-OLZOCXBDSA-N 335.310 2.484 0 1 EEAF O=C1C[C@H]2[C@@H](c3cccc(O)c31)[C@H]1c3cccc(O)c3C(=O)[C@H]2[C@@H]1O 2356493072 JGTRUZSFUZQJBG-UVULKMJDSA-N 336.343 2.355 0 1 EEAF CS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(F)c(F)c2)cc1 27995871 HUSJYWXNWVRFER-UHFFFAOYSA-N 336.323 2.011 0 1 EEAF C[C@@]1(O)c2ccc3c(c2C(=O)c2occ(CCCO)c21)CCC3=O 2356720710 HNKCLBPQEJAISV-LJQANCHMSA-N 326.348 2.134 0 1 EEAF CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)c(O)c2n(CCC)c1=O 40380386 GIJJQIHNYYXMID-UHFFFAOYSA-N 343.383 2.390 0 1 EEAF CC(C)NC[C@H](O)COc1ccc(/C=C/CO)cc1Br 40632530 CVOIBIVLYLGZOC-OOPCZODUSA-N 344.249 2.192 0 1 EEAF CS(=O)(=O)Nc1ccccc1Cc1nnc(O)c2ccccc12 473114116 MESHMYBYMIFNKN-UHFFFAOYSA-N 329.381 2.298 0 1 EEAF Cc1cc(Br)c2[nH]c([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2c1 587970560 KIWDARHHIFEJKQ-PSVAKVPMSA-N 339.145 2.133 0 1 EEAF C[C@H](O)c1ncc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)s1 587021097 FIDIUGIHLDHRRW-NSHDSACASA-N 343.456 2.492 0 1 EEAF Cc1cc(F)c2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 586958299 HYISBFJSQBODLP-INIZCTEOSA-N 349.387 2.479 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)C2=O)N1 587764886 AHDHDOZWQPGGLL-RMLUDKJBSA-N 327.197 2.180 0 1 EEAF CCNC(=O)CCc1nc2cccc(I)c2[nH]1 587230142 IBOXWLSZVHLASA-UHFFFAOYSA-N 343.168 2.236 0 1 EEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccnc(OC)c2[nH]1 587229799 CCPWYTALMUJTHQ-NWDGAFQWSA-N 332.404 2.003 0 1 EEAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cnc(O)s2)N1 962969322 QFXPLOIBYVDQJP-WRWORJQWSA-N 346.742 2.469 0 1 EEAF CCCc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C 5883399 NKKNLQBFWFWENA-UHFFFAOYSA-N 325.368 2.301 0 1 EEAF CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CN(C)C 12574762 WTLZIKLZNOITIB-SFHVURJKSA-N 349.494 2.490 0 1 EEAF COc1ccc2c(c1)C[C@H](Nc1nc(N)nc(N3CCCCC3)n1)C2 13800835 UPHUNEXJOGSURX-CQSZACIVSA-N 340.431 2.032 0 1 EEAF O=C1C[C@@H]2O[C@@H]3CC[C@H](O)[C@H]1[C@@H]3C21Oc2cccc3cccc(c23)O1 169663928 WKFIJZXJEYRNPK-QHWNQHOJSA-N 338.359 2.435 0 1 EEAF Cc1oc(C(C)C)cc1C(=O)N1CCC(Cn2cc(CO)nn2)CC1 20860510 HPPZYDWBERMBOW-UHFFFAOYSA-N 346.431 2.348 0 1 EEAF CC(C)CCN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(C(C)C)n1 2356289006 NWFPSPRTWGPNNA-XDNAFOTISA-N 335.492 2.136 0 1 EEAF NC(=O)c1cccc2c(N[C@H]3CNC[C@H](c4ccccc4)C3)ncnc12 114348331 YEVTXUFUOGTALP-HUUCEWRRSA-N 347.422 2.286 0 1 EEAF COc1ccc2[nH]c3c(c2c1)C[C@H]1[C@@H](CO)[C@H]2C[C@H]3N1CC2=CCO 2356784814 QFPGFMYTUFWRIF-ZAUBIYILSA-N 340.423 2.005 0 1 EEAF Cc1ccc(-c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 45386767 WQQAQSRICANYHW-INIZCTEOSA-N 348.358 2.063 0 1 EEAF CCn1c(/C=C/C=C/c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 40829269 IILUYZHERIRJQO-QHKWOANTSA-N 336.395 2.180 0 1 EEAF Cn1cc2c(c1)-c1[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc1CC2 95578624 AQWHWVKEGXIFFV-UHFFFAOYSA-N 340.404 2.312 0 1 EEAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1 587042906 NKVVWOYZKLNZMJ-LLVKDONJSA-N 332.429 2.282 0 1 EEAF Cc1cc2[nH]c(COc3ccc(S(N)(=O)=O)cc3C)nc2c(C)n1 586929890 HZTOAJMJLWRDHR-UHFFFAOYSA-N 346.412 2.110 0 1 EEAF O=C(c1nc[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660934 KICXFAQMXVNWIG-UHFFFAOYSA-N 335.298 2.009 0 1 EEAF COc1ccc(C2(C(=O)NCCCn3cncc3C)CC2)cc1OC 139743906 ZUYXFJZTYPXYHE-UHFFFAOYSA-N 343.427 2.447 0 1 EEAF CCCc1c(OC[C@@H](O)CSCC(=O)O)ccc(C(C)=O)c1O 13884416 FDSCNESPRGKMGP-LLVKDONJSA-N 342.413 2.105 0 1 EEAF C[C@@H]1C/C=C\[C@@H](O)[C@@H](O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 169727619 NHAQNKDEUQPSIX-YKGFQLKJSA-N 334.368 2.118 0 1 EEAF C[C@@H]1C[C@H]2O[C@@H]2CCC=C[C@H](O)Cc2cc(O)cc(O)c2C(=O)O1 253651152 LTYXUGJWWVZNBY-PDUOOLKUSA-N 334.368 2.054 0 1 EEAF CC(=O)N1NC(c2ccccc2)=NC(=O)[C@H]1c1cc(C)c(O)c(C)c1 1661582 ICXAIMXLJIPISH-MRXNPFEDSA-N 337.379 2.390 0 1 EEAF C[C@@H]1C[C@@H](NC(=O)c2c(O)n3ccsc3nc2=O)CC(C)(C)C1 100494552 DSPAHKILGVVFPA-NXEZZACHSA-N 335.429 2.406 0 3 EEAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1cccc(F)c1 2356298702 VQHBFSXVGBLKGL-YDHLFZDLSA-N 326.437 2.224 0 1 EEAF COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](C)O)c(F)c1 29128694 MLQVLQCUUQNCGW-SNVBAGLBSA-N 349.333 2.415 0 1 EEAF CC=C(C)C(=O)O[C@@H]1CCN2C[C@H]3C[C@@H](C(=O)N4CCCC[C@@H]34)[C@H]2C1 2356520030 WSSVDOWLXBYLHU-HSFUPAIVSA-N 346.471 2.360 0 1 EEAF COc1cc(C2=C[C@@H](c3ccc(O)c(OC)c3)CNC2=O)ccc1O 2356569366 LLGDWIWQIRFKDX-CYBMUJFWSA-N 341.363 2.412 0 1 EEAF CCNC(=O)[C@@]1(C)CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 61895589 YGSYVNJBMMFSBB-SFHVURJKSA-N 334.464 2.325 0 3 EEAF CC(C)NCC(=O)Nc1ccc([C@@H]2NC(=O)Cc3ccccc32)cc1 33823677 NPMPLQGFIZLCFO-FQEVSTJZSA-N 337.423 2.385 0 1 EEAF COc1ccc(-c2nc3c([nH]2)CCN[C@H]3C(=O)O)c2ccc(C)nc12 77503804 ILHCVRFJTSHMJP-MRXNPFEDSA-N 338.367 2.213 0 1 EEAF CC1(C)[C@H](O)C(=O)C[C@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@@]4(O)CO 149954751 PDTSXGBDZWSUTI-NOXDGDBNSA-N 336.472 2.292 0 1 EEAF COC(=O)C1=C[C@H]2C[C@H](OC(C)=O)[C@H]3CCCN4CCC[C@@]32C4=C1 238742095 UFOZGBPERPDMNF-RCJHGTSTSA-N 331.412 2.427 0 1 EEAF NC(=O)c1sc2cncc(-c3ccc4c(c3)OCCO4)c2c1N 621429413 ZOOBNFJUSRTUNC-UHFFFAOYSA-N 327.365 2.416 0 1 EEAF Cc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3)nc1 299866499 VYOKXLPEPZLJFV-UHFFFAOYSA-N 337.358 2.444 0 1 EEAF O=C(O)[C@H](O)[C@H](O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586891803 QMGWTMQJLZZFSV-UONOGXRCSA-N 330.365 2.193 0 1 EEAF CCS(=O)(=O)c1cccc(Cc2nc3cc(N)c(N)cc3[nH]2)c1 586921105 CMMBRDRJRJWMNR-UHFFFAOYSA-N 330.413 2.112 0 1 EEAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)([C@H](C)/C=C/C(=O)O)CC2=O 587492786 YPBOSVGCELNGAW-FJQSNYOMSA-N 348.351 2.410 0 1 EEAF Clc1ncc(Br)c2nc(C[C@@H]3COCCO3)[nH]c12 586909965 KSUQGYMIKHEMGL-ZCFIWIBFSA-N 332.585 2.332 0 1 EEAF Cc1ccccc1-c1nc(C[S@](=O)CC(=O)NC2CC2)c(C)o1 5058154 QKKJAHSIJZZJFQ-HSZRJFAPSA-N 332.425 2.486 0 3 EEAF COc1cc(C(=O)O)ccc1NC(=O)NC(=O)c1ccccc1F 13673932 OFNFJHDQPSWUFT-UHFFFAOYSA-N 332.287 2.494 0 1 EEAF CCN1CCC[C@@H]1CNC(=O)c1cc(CCF)cc(OC)c1OC 13821897 ARAWZUUSXRTRLM-CQSZACIVSA-N 338.423 2.430 0 1 EEAF COc1cc(OC)c([C@@H]2COc3cc(O)cc(O)c3C2=O)cc1OC 14645832 DWYGHGCLIOYRFR-NSHDSACASA-N 346.335 2.483 0 1 EEAF biogenic,in-vitro O=C(Nc1ccc(F)cc1)[C@H]1C(=O)N[C@H](CCc2ccccc2)C1=O 169727313 CUJTWRMMQPDVQF-CVEARBPZSA-N 340.354 2.081 0 1 EEAF COc1ccc(-c2cccc(Oc3cc(=O)n(O)c(=O)n3C)c2)cc1 1857585014 SOPLELRTPHLIQS-UHFFFAOYSA-N 340.335 2.252 0 1 EEAF Cc1cccc(-n2nnc(C(=O)N3CCc4ccccc4C3)c2N)c1 2957635 KTSBFBRWICCOBD-UHFFFAOYSA-N 333.395 2.356 0 3 EEAF COc1c(NCCNc2ccnc3cc(Cl)ccc23)c(=O)c1=O 101702677 UTXZZLPOEIOQLQ-UHFFFAOYSA-N 331.759 2.017 0 1 EEAF COc1ccc2nc(CO[C@@H]3CN(Cc4ncc[nH]4)C[C@H]3F)[nH]c2c1 2356299841 PEYXKEMVMWNJGD-IUODEOHRSA-N 345.378 2.034 0 1 EEAF CC(=O)NC[C@H]1CN(c2ccc3c(c2)SC[C@@H]2CCCN32)C(=O)O1 40565678 DRCKRLVVWUFWJY-KBPBESRZSA-N 347.440 2.222 0 1 EEAF CC(=O)c1c(O)c2c(c3c1OC(C)(C)C=C3)OC(C)(C)[C@H](O)[C@@H]2O 14616772 OFKZCOFIJRMOJI-CZUORRHYSA-N 334.368 2.344 0 1 EEAF biogenic COC[C@H](Cc1ccccc1)Nc1nc(N2CCOCC2)ncc1C 82202769 GQZPYSMALTWPDZ-KRWDZBQOSA-N 342.443 2.291 0 1 EEAF CCCCN[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O 299831503 DWAAMBNIPRFPIV-GVDBMIGSSA-N 340.464 2.238 0 1 EEAF O=c1cc(-c2ccc3c(c2)OCO3)[nH]c2c(-c3ccccn3)cnn12 653677675 UBOPAHWENVHZHM-UHFFFAOYSA-N 332.319 2.480 0 1 EEAF COc1ccc([C@]2(O)Sc3ccccc3-n3c2noc3=O)cc1 653903306 DNKUXXCPMDQMON-INIZCTEOSA-N 328.349 2.133 0 1 EEAF O=S(=O)(O)c1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1 586912085 QEXOBQGCLIPCGY-UHFFFAOYSA-N 344.348 2.448 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@]2(C(=O)O)[C@@H]1[C@H]3[C@@H]42 587409884 XHHYDMXZAOYSGO-UUEGEZTGSA-N 337.375 2.124 0 1 EEAF N[C@H](Cc1cccc(Br)c1)c1nc2cnnc(O)c2[nH]1 586984332 PVEVWXXIQIFXBE-SECBINFHSA-N 334.177 2.064 0 1 EEAF O=C(N1CCCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 13534239 SIYFJBSSISWOBJ-QAPCUYQASA-N 338.398 2.132 0 1 EEAF O=C(O)[C@@H](CCCCn1cnc2c1NC=NC[C@@H]2O)c1ccccc1 13807344 HPKYTRFCSRXETB-GJZGRUSLSA-N 342.399 2.409 0 1 EEAF COc1cc2c(cc1OC)[C@@H]1Oc3cc4c(cc3[C@]1(O)CO2)OCO4 14648504 OPUNZSMLSXSMJN-ZWKOTPCHSA-N 344.319 2.146 0 1 EEAF endogenous,in-man CS(=O)(=O)c1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1 164806817 PUFOXXLTVGTIBT-UHFFFAOYSA-N 339.380 2.419 0 1 EEAF CC[C@H](C)N(C(=O)CNc1nnnn1-c1ccccc1)[C@@H](C)CC 201451274 PVRHXCVIMCNCBM-KBPBESRZSA-N 330.436 2.500 0 3 EEAF Cc1c(C(=O)N(C)C)c(C)[n+](C)c2cccc(OC(=O)N(C)C)c12 1857537307 SCQKSPUBKMHTGB-UHFFFAOYSA-N 330.408 2.043 0 1 EEAF N[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 27105922 JNPLFADFIGKWML-QLFBSQMISA-N 329.469 2.302 0 1 EEAF COCCOc1ccc(-c2cn3nc(OCCOC)ccc3n2)cc1 72175607 PMLHHMUFCSJXAL-UHFFFAOYSA-N 343.383 2.447 0 1 EEAF CC(C)CCN[C@@H]1CO[C@@H]2[C@@H](OC(=O)NC3CCCCC3)CO[C@H]21 25213555 OCIQLMUVEYZTFY-LTIDMASMSA-N 340.464 2.216 0 1 EEAF biogenic CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1 95793987 RGKXUGSMSURPDI-VQTJNVASSA-N 336.435 2.248 0 1 EEAF CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)CN1 587798077 UHKFIXLSIYXXJZ-ANRSDYALSA-N 339.208 2.394 0 1 EEAF CN(Cc1nc2cnccc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928451 BXJJIFCEBYQMSL-UHFFFAOYSA-N 336.804 2.432 0 1 EEAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C(N)=O)c1c(C)nn(C)c1C 963244633 XDTUKXMKJCKWNY-RNODOKPDSA-N 340.471 2.422 0 1 EEAF CS(=O)(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccn2)cc1 1772623100 ZGBRCZMNBKLUTF-MRXNPFEDSA-N 348.449 2.259 0 1 EEAF CCOC(=O)N1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OC)ccc(c23)C1 13535613 VLBNWFKIPQJSFG-RFUYNDQBSA-N 345.395 2.377 0 1 EEAF C[C@H](CCCCCNC(=O)c1cc2cc(C(=N)N)ccc2[nH]1)C(=O)O 13764927 BACUWNDSUBHCOF-LLVKDONJSA-N 344.415 2.463 0 1 EEAF COc1ccc2[nH]c(=O)c(-c3nnn(-c4ccc(F)cc4)n3)cc2c1 15952727 PAIFCMAXYMUDOM-UHFFFAOYSA-N 337.314 2.319 0 1 EEAF CCOc1ccc(S(=O)(=O)NC)cc1Nc1ncnc2[nH]ccc12 204864310 DPIPRYPHEIZRQI-UHFFFAOYSA-N 347.400 2.008 0 1 EEAF COc1ccc(CCNC(=O)Cc2ccccc2CCO)cc1OC 1650688 IWCGFEIBRZDSGB-UHFFFAOYSA-N 343.423 2.140 0 1 EEAF C[C@@H]1O[C@H](OCCCCCCCCC=CC(=O)O)[C@H](O)C[C@H]1O 2356344797 FDWVWTCEWSMDGI-HWMZRRJGSA-N 330.421 2.231 0 1 EEAF CN(C(=S)Nc1ccccc1)[C@H]1CC[C@@H](C2OCCO2)C[C@@H]1O 4116770 MSOCHUTXXFQEET-SNPRPXQTSA-N 336.457 2.218 0 1 EEAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2CC(=O)NC(C)C 8604932 SQXRUAXUQYPPQC-UHFFFAOYSA-N 338.411 2.235 0 1 EEAF CC(=O)NC[C@H]1CN(c2ccc(N3CC(C)=C(C)CO3)cc2)C(=O)O1 28523510 SGFMVDXUBSTUSC-KRWDZBQOSA-N 345.399 2.236 0 1 EEAF C[C@]12C[C@@H]1CC[C@]1(C)[C@@H]3C[C@@H]4OC(=O)C(CO)=C4C=C3[C@@H](O)C[C@H]21 2356494012 ONNYIOKWWWSKHZ-VKGNBJDPSA-N 330.424 2.354 0 1 EEAF COc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1OC 66251784 GKGIEVXHNMCOTB-UHFFFAOYSA-N 341.371 2.473 0 1 EEAF CN1CCN(Cc2nc3c(oc4ccc(C5CC5)cc43)c(=O)[nH]2)CC1 84669268 HEOZBPOPPDUPGK-UHFFFAOYSA-N 338.411 2.294 0 1 EEAF O=c1c([C@@H]2Nc3ccccc3S(=O)(=O)N2)coc2ccccc12 96273809 YOBSLJXUEIUCHT-MRXNPFEDSA-N 328.349 2.196 0 1 EEAF COc1cc([C@@H]2Cc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O 238780512 LEOZZNWPCJSWGW-WMLDXEAASA-N 344.407 2.447 0 1 EEAF CC(C)Oc1cc2c(cc1NC(=O)c1ccncc1)n(C)c(=O)n2C 653817146 MWDDVHYAUYJQMV-UHFFFAOYSA-N 340.383 2.312 0 1 EEAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(C(N)=O)cc2[nH]1 587042522 LEVXHYYGBSCBTM-GFCCVEGCSA-N 332.429 2.282 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@@H](C(=O)O)[C@H](C(=O)O)C1)O2 587403899 MYPZDXMEELTIMJ-BRYJFPNYSA-N 347.367 2.113 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)CCO)nc1)[C@@H](C2)C3=O 587427731 FRNLVCCJQFLIMP-LIRRHRJNSA-N 340.379 2.007 0 1 EEAF COc1cc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2cc1F 587142370 XFROSLWLPHFDCT-UHFFFAOYSA-N 339.323 2.164 0 1 EEAF COc1ccc2cc(-c3ccc4c(O)nc(O)nc4n3)c(=O)oc2c1 587563834 XOKOKXATARRTTC-UHFFFAOYSA-N 337.291 2.218 0 1 EEAF N=c1[nH]cc2nc(-c3nc(Br)sc3C3CC3)nc-2[nH]1 587011708 BRSPRXROTPBDQA-UHFFFAOYSA-N 337.206 2.480 0 1 EEAF CC(=O)[C@@H]1C(=O)[C@H]2c3c[nH]c4cccc(c34)C[C@@H]2C(C)(C)N(C)C1=O 957950727 VPZKRDKLOIHUTM-LXZKKBNFSA-N 338.407 2.449 0 1 EEAF C=CN1CC[C@H]([C@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)C1=O 963638781 UXQWLNHYLVOYKU-PJFSTRORSA-N 330.428 2.445 0 1 EEAF CCCCOC(=O)N[C@H](C(=O)N[C@@H](CCCC)C(=O)O)C(C)C 13805216 WBOPJFBHTDFKKU-STQMWFEESA-N 330.425 2.297 0 1 EEAF C/C=C1/CN2CC[C@@H]1[C@@](CO)(C(=O)OC)c1[nH]c3ccccc3c1C2 14827322 JZKSIYFJGCTTET-DIYYJNGXSA-N 340.423 2.353 0 1 EEAF CC(C)C[C@H](NC(=O)c1cccc(Cc2ccc(F)cc2)n1)C(N)=O 207737888 URVZVODJEDGKDD-KRWDZBQOSA-N 343.402 2.441 0 1 EEAF Cc1ccc([C@@H]2[C@@H](S(C)(=O)=O)C(=O)C(=O)N2c2ccccc2)cc1 71340 JUZJREYKSVHBAV-NVXWUHKLSA-N 343.404 2.065 0 1 EEAF O=C1[C@H]2[C@H]([C@@H]3C=C[C@H]2CC3)S(=O)(=O)N1CCCCc1ccncc1 25981932 AWLGVKCXSOFROF-HZMVEIRTSA-N 346.452 2.157 0 1 EEAF COc1cc2nc(Nc3ccc(C(=O)O)cc3)[nH]c(=O)c2cc1OC 27712233 LNNQNKVIWYUPNE-UHFFFAOYSA-N 341.323 2.382 0 1 EEAF O=C(N[C@@H]1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1)c1ccco1 6529814 VMUPECMTNJKKBP-TZMCWYRMSA-N 339.351 2.009 0 1 EEAF biogenic CC(=O)Oc1c(C)c(OC(C)=O)c2c(c1C)[C@H](C)[C@](C)(O)OC2=O 13480660 PZRLZTDKTOVBJT-HUTHGQBESA-N 336.340 2.136 0 1 EEAF biogenic O=C1c2ccccc2C(=O)N1C[C@@H]1CC(c2ccc(O)c(F)c2)=NO1 43121309 BZYJSBNLEZUCFB-NSHDSACASA-N 340.310 2.321 0 1 EEAF C/C=C1/CN2CC[C@]34C(=O)c5ccccc5N3[C@H](C(=O)OC)[C@H]1C[C@H]24 238744765 PPYARVBMTFPVQA-UCQAGNQTSA-N 338.407 2.024 0 1 EEAF NC(=O)c1ncc(N[C@@H]2CCCNC2)nc1Nc1cccc(Cl)c1 230564964 KETVDYPMYWKUPE-GFCCVEGCSA-N 346.822 2.136 0 1 EEAF CCOC(=O)[C@H]1C(=O)[C@H](C(C)=O)C(=O)C[C@H]1C[C@@H](C)SCC 142523973 RTYSMJMWAJSKON-WGEPELCKSA-N 328.430 2.061 0 1 EEAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccccc4[nH]3)c2N)C1 586955291 NOCGMHZAXMUPFM-UHFFFAOYSA-N 342.424 2.130 0 1 EEAF CCOC(=O)CNc1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 587225781 UBTSBOUVQCEIIA-UHFFFAOYSA-N 338.367 2.304 0 1 EEAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nccc(N)c3[nH]2)cc1 586939953 VKYHTESXMYWPEB-JTQLQIEISA-N 345.428 2.284 0 1 EEAF COC(=O)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2n1 587968575 FJQKEDQWLMNWBB-GNBKPXKDSA-N 325.368 2.391 0 1 EEAF CC(=O)N1C[C@H]2Cc3cc4c(O)nc(O)nc4nc3-c3cccc1c32 587558326 QNPLKMZONJZVTM-SNVBAGLBSA-N 334.335 2.109 0 1 EEAF O=C(O)C1=C[C@]2(C=CO1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962761214 HCSDHDSRMVUAJT-NHYWBVRUSA-N 339.269 2.040 0 1 EEAF CCOCC(=O)NCCCCCCNC(=O)N1Cc2ccccc2C1 166984357 DUNSVRJHTSEFJP-UHFFFAOYSA-N 347.459 2.425 0 1 EEAF CNC(=O)CCC(=O)N1Cc2cccc(OC)c2Oc2ncccc21 6902155 FSOQUMKAPUNDMT-UHFFFAOYSA-N 341.367 2.255 0 1 EEAF COc1cc([C@H]2Cc3c(O)cc(CCCO)cc3[C@@H]2CO)ccc1O 2356559592 LEOZZNWPCJSWGW-RHSMWYFYSA-N 344.407 2.447 0 1 EEAF CCOCCc1ccc(OCCNC(=O)c2cc(C)nn2C)c(C)c1 34425033 YDQNHCDNFDJLTE-UHFFFAOYSA-N 345.443 2.425 0 1 EEAF O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)O[C@H]1CNCC[C@@H]21 73197839 RMRXWRZPFIBGQU-RDJZCZTQSA-N 333.384 2.496 0 1 EEAF CCOC(=O)c1sc(NC(=O)[C@H](C)N2CCCCC2)nc1C 84653199 ZWBCYRWJIRSFCD-NSHDSACASA-N 325.434 2.441 0 1 EEAF NC1=N[C@@](c2cc(NC(=O)C3CC3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 226078860 AVYBUTDARNOIIF-KANYHAFZSA-N 339.317 2.368 0 1 EEAF Cc1nc(C)c(CN2CCN(C(=O)c3ccccc3O)CC2)nc1C 40938995 FQBZVZLEUDKIJJ-UHFFFAOYSA-N 340.427 2.065 0 1 EEAF COCCNc1cc(-c2n[nH]c3ccc(-c4cnn(C)c4)cc23)ncn1 221104504 LLLFPOVCUDKEPY-UHFFFAOYSA-N 349.398 2.479 0 1 EEAF COc1ccc(Cn2c(=O)sn(-c3ccc(C)cc3)c2=O)cc1 84711549 DQYLKVUNIFKTHY-UHFFFAOYSA-N 328.393 2.426 0 1 EEAF COc1ccc(CN2C[C@H]3CN(Cc4ccoc4)C[C@@H]3C2=O)cc1 299843586 UODWXDCPBCLJNN-AEFFLSMTSA-N 326.396 2.379 0 1 EEAF COC(=O)Nc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cn1 587244360 DCZKXTFRSWWMGU-UHFFFAOYSA-N 334.386 2.171 0 1 EEAF CCOC(=O)c1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1 587028233 MTWSPBIKWMPMRB-UHFFFAOYSA-N 330.369 2.126 0 1 EEAF CCS(=O)(=O)c1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1 586890497 KFNJKDLANLGASO-OAHLLOKOSA-N 332.381 2.144 0 1 EEAF COC(=O)C[C@H](C)Cc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587788004 YTUFJHSRISMMMK-SNVBAGLBSA-N 342.399 2.060 0 1 EEAF COc1cccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c12 586930296 PERGLGISTJMWQS-UHFFFAOYSA-N 347.396 2.106 0 1 EEAF O=C([C@H]1Cc2ccccc2[C@H](c2cn3ccncc3n2)N1)C(F)(F)F 962729636 INQNTOUOSSEMNV-IUODEOHRSA-N 346.312 2.464 0 1 EEAF C[C@@H](O)c1nccc(N2CCN(c3nsc4ccccc34)CC2)n1 13472159 SVVWIIDSAOAHAI-GFCCVEGCSA-N 341.440 2.466 0 1 EEAF c1ccc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)nc1 205513820 DSTWBFPFQZUGGQ-GOSISDBHSA-N 339.439 2.224 0 1 EEAF O=C1C[C@@H]2[C@@H]3C(=O)c4c(O)cccc4[C@@H]([C@@H]3O)[C@@H]2c2cccc(O)c21 1857536081 JGTRUZSFUZQJBG-NEUAYCJXSA-N 336.343 2.355 0 1 EEAF COCCNC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 9407515 IUTIKRSJHGDICQ-UHFFFAOYSA-N 337.422 2.079 0 1 EEAF CCSC/C(=C1/NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-] 103277269 DSHWWPMOLSFNCS-ACCUITESSA-N 328.825 2.339 0 1 EEAF N[C@H](C(=O)O)[C@H]1CC(O)=NN1Cc1ccc(-c2ccccc2)cc1 103265519 FQFHNTUAJXYVTM-WBVHZDCISA-N 325.368 2.211 0 1 EEAF OC[C@H]1CC[C@H](n2cnc3c(NCc4ccccc4)ncnc32)O1 29336835 FTFUACKLTUPQQG-ZIAGYGMSSA-N 325.372 2.108 0 1 EEAF O=C1CN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CCN1 27096546 UDFINYYIZQZTKF-GOSISDBHSA-N 327.815 2.355 0 1 EEAF CS(=O)(=O)c1ccc(-c2nnnn2-c2ccc(F)c(F)c2)cc1 27995866 UDIIPNKJLCADTC-UHFFFAOYSA-N 336.323 2.011 0 1 EEAF Cc1ccc(-c2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 45389775 DQRWJVGODRLRQH-OAHLLOKOSA-N 348.358 2.063 0 1 EEAF COc1ccc2c(c1)CN1C(=O)N(C3CCCC3)S(=O)(=O)C[C@H]21 96020198 QTEPXGPWPNIBJD-OAHLLOKOSA-N 336.413 2.260 0 3 EEAF CS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@@H]3C[C@@H]3C2)cc1F 261187615 XZKKLSQLUOHCOU-BRPSZJMVSA-N 347.795 2.346 0 1 EEAF NC[C@H](C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1ccc(F)cc1 653726525 GTKRFHRWGZORCF-INIZCTEOSA-N 325.343 2.348 0 1 EEAF COc1ccc(C)cc1C(=O)CCc1nc2c(O)nc(S)nc2[nH]1 587786413 GSYJXTLLBLUMEJ-UHFFFAOYSA-N 344.396 2.480 0 1 EEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(C(=O)O)c(F)cc2[nH]1 587256953 WXEXPSCGNYGCES-SNVBAGLBSA-N 337.351 2.002 0 1 EEAF COc1cc2c3c(c1)O[C@](C)(Cc1cc(OC)ncn1)[C@@H](C2)C3=O 587435507 GLFMIVICZTZUPL-SCLBCKFNSA-N 326.352 2.243 0 1 EEAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(N)c(N)cc2[nH]1 587194172 NPAXIYGSXVGFSE-GFCCVEGCSA-N 348.451 2.245 0 1 EEAF Cc1cc(Cl)cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c12 586921080 BXCPEUZAQHINHN-UHFFFAOYSA-N 338.820 2.373 0 1 EEAF CNCCN1CCC(NCc2cccc(OC(F)(F)F)c2)CC1 1772584647 ZNBKLHMBCOAKBM-UHFFFAOYSA-N 331.382 2.359 0 1 EEAF O=C1C[C@H]2OCC=C3CN4CC[C@@]56c7ccccc7N1[C@@H]5[C@H]2[C@H]3C[C@H]46 13831821 QMGVPVSNSZLJIA-JHGWNBTISA-N 334.419 2.093 0 1 EEAF CC(=O)N1CC(Oc2cc(C)nc(C(=O)Nc3nc(C)cs3)c2)C1 1857542827 BMEZIGOAOIDKGQ-UHFFFAOYSA-N 346.412 2.017 0 1 EEAF O=C1CCC2(Oc3cccc4cccc(c34)O2)[C@@H]2[C@H](O)CC[C@@H](O)[C@H]12 2356423847 LYHLLBJEQIPGLK-NCGUTPBLSA-N 340.375 2.418 0 1 EEAF CCc1ccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)OC(C)C)[C@@H]4C2=O)cc1 100885997 GCTKWLFVHKUVMD-VIPLHTEESA-N 341.407 2.487 0 1 EEAF Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C)CC2)cc1 29045638 VJVLLYXNCKJIIY-UHFFFAOYSA-N 331.441 2.209 0 1 EEAF in-vivo CCn1c(=O)n(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C)c2ccccc21 100932744 UEYRRMVOMQCUML-GJZGRUSLSA-N 342.443 2.396 0 1 EEAF CCC(=O)N1CC[C@]1(C)C(=O)Nc1cc(-c2ccccc2)nn1C 61903114 WUBSZLLBKMQQHP-GOSISDBHSA-N 326.400 2.427 0 3 EEAF COCC1=Nc2ncnn2[C@@H](c2ccc(OC)cc2)/C1=C(/O)OC 103539081 OHXQBRHJNKIWBK-RHIYTYFCSA-N 330.344 2.025 0 1 EEAF C[C@H](NC(=O)c1cccnc1)c1onc(-c2cccnc2)c1C(=O)O 2356652393 ZOMGHXGZFHFPSD-JTQLQIEISA-N 338.323 2.321 0 1 EEAF C[C@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 29485294 GOHDSZGHAHFEHG-BVAAUCMOSA-N 342.439 2.440 0 1 EEAF O=C(NCc1ccccc1)NC[C@@H]1COCc2nc3cccnc3n21 2356705616 WYLFMUZPFYQIFX-CQSZACIVSA-N 337.383 2.002 0 1 EEAF CC(C)CCN[C@@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccccc3)CO[C@@H]21 2356851341 QGPMDNDSUVPREX-QBPKDAKJSA-N 334.416 2.406 0 1 EEAF CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@]12CN(C)CCC2=O 49072395 OTNYINMNXYBRAM-WOJBJXKFSA-N 341.455 2.184 0 1 EEAF O=C(Nc1cccn(CC(=O)N2CCCCC2)c1=O)c1ccccc1 42922752 AMNLLAOCODOBIG-UHFFFAOYSA-N 339.395 2.113 0 1 EEAF C[C@@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@H]2[C@H]1CO)N3 299819850 BXYUQBYZSFOVMX-SVUYNKHBSA-N 326.440 2.397 0 1 EEAF CN1C(=O)C[C@H]2CN[C@@H](c3cccn(C(F)F)c3=O)c3cccc1c32 963037841 WFKHLKXLVCKXFP-MGPLVRAMSA-N 345.349 2.386 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(C(N)=O)cs1 963642296 YEWCQUIBRWPLKH-FVMDXXJSSA-N 332.425 2.488 0 1 EEAF C[C@@H]1C(=O)N(C(=O)C2CC2)[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]12 13443210 MMMNLJNOOSIRBL-VBNZEHGJSA-N 342.395 2.181 0 1 EEAF C[C@]12CC[C@@H](O)[C@@]3(C)C(=O)O[C@@H](C=C4[C@H]1CC[C@]1(C)CC(=O)O[C@H]41)[C@@H]23 2356381630 UCWXMZOVKYMIMO-DJNZCASXSA-N 346.423 2.367 0 1 EEAF O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)CNC3=O)s1 103234920 FKKHSRCBLXGBQH-WUXMJOGZSA-N 341.417 2.004 0 1 EEAF O=C(Nc1ccc(Cl)cc1)c1nnnn1CCc1ccncc1 28822084 LDKBYKZJBJZJKB-UHFFFAOYSA-N 328.763 2.217 0 1 EEAF CS[C@]1(C)NC(=O)[C@@](Cc2c[nH]c3ccccc23)(SC)NC1=O 13413580 WZCXTZDWTILORX-JKSUJKDBSA-N 349.481 2.095 0 1 EEAF biogenic CCC[C@@H](N)[P@](=O)(O)C(=S)NCc1ccc(C(=O)O)cc1 49067812 UUSRHEINVQBSBQ-NSHDSACASA-N 330.346 2.115 0 1 EEAF COc1ccc(C2=NO[C@@H](c3noc(CCC(=O)O)n3)C2)cc1F 43080258 JSNHKQSIZKMVAU-GFCCVEGCSA-N 335.291 2.100 0 1 EEAF COC(=O)[C@@H](C)Nc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 82161780 AGBMKHIRUHOQOA-SNVBAGLBSA-N 347.371 2.143 0 1 EEAF CCOC(=O)c1ncn2c1Cn1cnnc1-c1cc(Cl)ccc1-2 45300946 NEVSBYUBNOGFQJ-UHFFFAOYSA-N 329.747 2.323 0 1 EEAF CCC(CC)C(=O)N1CC[C@H]2NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21 25411850 QYNKOKVSUPGLJE-HZPDHXFCSA-N 343.427 2.144 0 1 EEAF biogenic N#Cc1ccc(S(=O)(=O)Nc2cc(F)cc3cccnc23)cn1 141819132 YFJWLCDOEDDZFN-UHFFFAOYSA-N 328.328 2.441 0 1 EEAF O=C(O)c1c(F)cccc1O[C@H]1CC[C@H]2CN[C@H](C(=O)O)C[C@H]2C1 96939180 FJRZUGBWWPTLSK-NOHGZBONSA-N 337.347 2.134 0 1 EEAF CC[C@H](C)[C@H](CO)NC(=O)[C@@]1(C)CON=C1c1ccc(N(C)C)cc1 299880954 NDLAXTVKKYJBGD-AXHNFQJDSA-N 347.459 2.016 0 1 EEAF C[C@]12C(=O)O[C@@H]3Cc4c(ccc5ccoc45)[C@]4(CC[C@@]1(O)OC4)[C@@H]32 473129477 HDJDBLLWQBRQMW-DKEKNDPOSA-N 326.348 2.287 0 1 EEAF Nc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c2c1-c1ccccc1 653663977 PMGBYLQYQGGGRT-UHFFFAOYSA-N 343.350 2.210 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(S(C)(=O)=O)c(C)c1)O2 587410722 WSGKOUHREUAJLG-OAHLLOKOSA-N 346.408 2.391 0 1 EEAF COC(=O)c1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C 587430605 JPNBRTALMTVNBB-YJYMSZOUSA-N 341.363 2.483 0 1 EEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)N1CCCC1 587871734 BXDZAFQVJOHMGP-UHFFFAOYSA-N 331.347 2.351 0 1 EEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OCO3 587225111 NPKVLFVFQPKWKZ-NSHDSACASA-N 339.351 2.375 0 1 EEAF Oc1nc(O)c2ccc(-c3cc(Br)ncc3F)nc2n1 587369317 FUIMKAGFPYATRX-UHFFFAOYSA-N 337.108 2.400 0 1 EEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)C2)N1 587843711 JUSVCBSJJUUVOO-ISVAXAHUSA-N 348.237 2.136 0 1 EEAF O=C(O)C/C=C(/NNc1ncc(C(F)(F)F)cc1Cl)C(=O)O 957626674 ZBRLWMZXQDCRGL-LREOWRDNSA-N 339.657 2.114 0 1 EEAF Cc1nc(C(=O)N(C)C)c([C@]2(C)NCCc3cc(C)c(F)cc32)[nH]1 962298395 LOCIHERKTNJLGA-GOSISDBHSA-N 330.407 2.277 0 1 EEAF N=C(N)c1ccc2[nH]c(C(=O)NCCCCCCC(=O)O)cc2c1 13764902 CZITZJPLCUWFMO-UHFFFAOYSA-N 330.388 2.217 0 1 EEAF C[C@H]1CN2C(=O)c3c(ncn3C)N(Cc3ccc(Cl)cc3)C2=N1 28222536 JQEPRBCRAYHLKI-JTQLQIEISA-N 329.791 2.294 0 1 EEAF CCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC 28007478 LMMYRVSIBONOSJ-UHFFFAOYSA-N 332.404 2.428 0 1 EEAF CCNC(=O)[C@]1(C)CCCN(C(=O)c2c(OC)cccc2OC)C1 74388220 HNBXRVRCSLNGBJ-GOSISDBHSA-N 334.416 2.082 0 3 EEAF CCOC(=O)c1ccc(COC2CN(c3ccc(C)nn3)C2)cc1 72127522 QQXGIFBGHFEEQJ-UHFFFAOYSA-N 327.384 2.367 0 1 EEAF CC(=O)N1C(C)(C)C=C(c2nc3c(C(N)=O)cccc3[nH]2)C1(C)C 40392723 GYVADBXURCXHMJ-UHFFFAOYSA-N 326.400 2.465 0 1 EEAF O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)c1cccc(Cl)c1 195452321 KVTCHDSYFPESLK-SOAFEQHCSA-N 342.782 2.038 0 1 EEAF Cn1nc(C(=O)N[C@@H](c2ccccn2)C2CC(O)C2)c2ccccc21 230573156 PEQQJJARAGYNCR-QWQCLYJRSA-N 336.395 2.210 0 1 EEAF O[C@@H]1[C@@H](N2CCc3ccccc32)C=C[C@H](N2CCc3ccccc32)[C@H]1O 95559333 ZOVOQSHNNCHTIV-FNAHDJPLSA-N 348.446 2.141 0 1 EEAF Cc1csc([C@@](O)(Cc2nc3ncc[nH]c-3n2)C(F)(F)F)n1 587094081 JMAUKKXUMOASST-NSHDSACASA-N 329.307 2.062 0 1 EEAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3nc(N)nc(Cl)c3[nH]2)cc1 587786361 QCAZANPVQNLUGD-VHSXEESVSA-N 343.774 2.532 0 1 EEAF O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1cccc(Cl)c1 587368070 AIVCPKXRMVSMPA-UHFFFAOYSA-N 330.731 2.271 0 1 EEAF CCCc1sc(N)nc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587013769 YLZXTYSQZLLOKD-UHFFFAOYSA-N 336.442 2.625 0 1 EEAF COc1cnc([C@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)cn1 963610291 OVVVUWWMRIFDLE-ZMZPIMSZSA-N 329.400 2.300 0 1 EEAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CC(=O)NC2(CCC2)C1 963602631 ADTGAFBQSLKGJZ-HXPMCKFVSA-N 330.428 2.266 0 1 EEAF CCOc1nc(NCCO)nc(Nc2cc(Cl)ccc2OC)n1 5027564 NGLKRVORGDIDRP-UHFFFAOYSA-N 339.783 2.080 0 3 EEAF C[C@H](N)c1cccc(NC(=O)c2ccoc2CN2CCOCC2)c1 167011392 KVEIKKQFXLWWMV-ZDUSSCGKSA-N 329.400 2.384 0 1 EEAF C[C@]1(C(=O)N[C@@H](CO)Cc2ccccc2)CON=C1c1ccccc1 234312 JIFLODGGPQCBGP-XLIONFOSSA-N 338.407 2.147 0 1 EEAF O=C(CCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O)NC1CCCCC1 101626673 YJQHVNSDJBEGAQ-KBPBESRZSA-N 338.835 2.343 0 3 EEAF COc1cc(CN2CCC(=O)CC2)cc2[nH]c(=O)c3c(c12)NCCC3 118734527 JVONMPYLLSDQAW-UHFFFAOYSA-N 341.411 2.060 0 1 EEAF C[C@]1(O)CC[C@@]23C[C@H]1C[C@]2(O)CC[C@@H]1[C@](C)(CO)C[C@@H](O)C[C@]13C 2356705814 FOCVEWGELGYRTJ-PQVAXVBXSA-N 338.488 2.228 0 1 EEAF O[C@@H]1[C@H](NCc2ccco2)[C@H]2CO[C@@H](O2)[C@@H]1Sc1ccccc1 2356847940 PAWLIULBPCWXBA-HHARLNAUSA-N 333.409 2.015 0 1 EEAF Nc1cccc2c1nc(-c1ccc(P(=O)(O)O)o1)n2CC1CCC1 45285998 ZUIWJNYDGPUYDC-UHFFFAOYSA-N 347.311 2.482 0 1 EEAF O=C(O)Cn1cc([C@@H]2NS(=O)(=O)c3ccccc32)c2ccccc21 49089392 ZWIUKYWJOORMTG-QGZVFWFLSA-N 342.376 2.107 0 1 EEAF CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2ncccc21 45290881 JRPFDOYNCLFLJE-UHFFFAOYSA-N 329.425 2.431 0 1 EEAF C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1cccnc1 199213949 DMPZAPKGBFWDHG-LJQANCHMSA-N 348.410 2.154 0 3 EEAF N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 95552273 SCJMJOCYIDGAMT-HUUCEWRRSA-N 347.777 2.159 0 1 EEAF CNC(=O)[C@@H]1Cc2cc(F)ccc2N1C(=O)COc1ccc(F)cc1 473136433 RKPSOQDQSZONDN-INIZCTEOSA-N 346.333 2.048 0 1 EEAF COC(=O)CC[C@@]1(C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587527549 XOVDEWCLRVQMPH-IBGZPJMESA-N 346.379 2.396 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CCNC[C@@H]1C(=O)OCC)CC2=O 587478431 ATQXPXSKPAWSFJ-AUUYWEPGSA-N 347.411 2.221 0 1 EEAF CCOC(=O)[C@H](C(C)C)[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963529232 WFWZYPBHBAHOBC-ZUEVXXBESA-N 349.427 2.350 0 1 EEAF COc1ccc2c(c1OC)[C@@](C)(c1nn(C)cc1O)N(C)[C@@H](C)C2 962563466 GKCYGDLIRGSTEQ-VOJFVSQTSA-N 331.416 2.283 0 1 EEAF O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1c3ccccc3[C@@H]2S1(=O)=O 5884359 UPTXECXZLCKHIL-SYMSYNOKSA-N 339.372 2.017 0 1 EEAF CCc1cc(CNC(=O)c2ccc(OC)c(OCCOC)c2)on1 169341219 DUEGGWNXTXWFLF-UHFFFAOYSA-N 334.372 2.201 0 1 EEAF COc1cc(O)c2c(c1)OC[C@@]1(Cc3ccc(OC)c(O)c31)C2=O 169524522 BAVUQHYTQLZCMV-GOSISDBHSA-N 328.320 2.184 0 1 EEAF O=P(O)(O)C(Nc1cc(Cl)ccc1Cl)P(=O)(O)O 103211008 VLVPKMQLPUGWRC-UHFFFAOYSA-N 336.004 2.044 0 1 EEAF O=C(CCCCC1CCCCC1)OC[C@H](O)[C@@H]1OC(=O)C(O)=C1O 100366232 SKTIFPADXLJREZ-LRDDRELGSA-N 342.388 2.284 0 1 EEAF CC(C)N1CCN(Cc2cc3c(cc2Cl)OCO3)C[C@H]1CCO 104549695 NOWUGUFGOPPHSG-CQSZACIVSA-N 340.851 2.346 0 3 EEAF COc1ccc2[nH]c(CCN(C)C(=O)Nc3nncs3)nc2c1 23146010 AFSGEUQHCAUKDN-UHFFFAOYSA-N 332.389 2.129 0 1 EEAF CC(C)(C)c1ccc(C(=O)NN2C(=O)N[C@@]3(CC3(C)C)C2=O)cc1 66252209 FFVXCUFOMLVYKI-SFHVURJKSA-N 329.400 2.349 0 1 EEAF COc1ncc(Nc2ncc(F)cc2-c2nc(C)nc(N)n2)cc1F 113241492 JTSTWKIGATWXTF-UHFFFAOYSA-N 345.313 2.250 0 1 EEAF CCC(=O)NCCc1c(C(F)(F)F)nn2ccc3c(c12)CCO3 72107370 KMROLSWGHJXKLU-UHFFFAOYSA-N 327.306 2.357 0 1 EEAF O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)N(Cc2ccncc2)C1 15674636 SUNGILIWNGOPNU-SJORKVTESA-N 336.395 2.363 0 1 EEAF biogenic COc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc(N)n1 45391240 ZVYYCMRDDCYZAU-UHFFFAOYSA-N 335.367 2.059 0 1 EEAF COc1cc([C@H](c2cnc(N)nc2N)C(C)C)cc(OC)c1OC 40567764 QOKSGFCNMMCDIW-CQSZACIVSA-N 332.404 2.455 0 1 EEAF COc1ccccc1CNc1nc(N(C)CCN(C)C)ncc1C 82202322 NNBNOOKMJGNCJH-UHFFFAOYSA-N 329.448 2.404 0 1 EEAF O=[n+]1nc(NC2CCCC2)n(O)c2ccc(Br)cc21 95573619 RLCZDAWFHWZCRP-UHFFFAOYSA-N 326.174 2.305 0 1 EEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNC(=O)CC)cc1 95895382 GTUJJNILEQVMPG-FTRCXSRJSA-N 344.455 2.311 0 1 EEAF Cc1cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c(=O)n(C)c1 299859161 HSJFJXIKCSINLE-UHFFFAOYSA-N 330.369 2.449 0 1 EEAF Cc1c(NC(N)=O)cccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587239512 QPLNPXOMOBRYEK-UHFFFAOYSA-N 337.339 2.360 0 1 EEAF COC(=O)c1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cn1 586968047 JSRWEGSABHPENG-UHFFFAOYSA-N 344.352 2.130 0 1 EEAF COC(=O)c1ccc2nc(CCNC(=O)Cc3ccccc3)[nH]c2c1 587228018 DNVPUWFJDPOYOK-UHFFFAOYSA-N 337.379 2.251 0 1 EEAF Cc1ccnc2[nH]c(-c3nccnc3I)nc12 587186746 RMUSAHYZOAQJHL-UHFFFAOYSA-N 337.124 2.328 0 1 EEAF COc1cc2c3c(c1)O[C@@H](c1cc4c(cn1)OCCO4)[C@@H](C2)C3=O 587436141 MKGRWGPCBSNJEJ-BBATYDOGSA-N 325.320 2.350 0 1 EEAF Fc1cccc2c1[C@](CN1CCNCC1)(C1CC1)N1CCC[C@@H]1C2 963104823 ILXYDCGUOCUCPB-XLIONFOSSA-N 329.463 2.357 0 1 EEAF Nc1nc2cccc([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)c2o1 962896231 LNHJGAJZXCEKDD-GXTWGEPZSA-N 327.315 2.237 0 1 EEAF O=C1NC(=S)N2C(=O)[C@H]3Nc4cc(Cl)cc(Cl)c4[C@H]3C=C12 1772607999 XUIHLAZYWIQDIJ-FWOIEVBISA-N 340.191 2.012 0 1 EEAF COCCNc1nc2nonc2nc1N(C)Cc1ccc(C)cc1 12455235 MDVYLGSGYSUGMA-UHFFFAOYSA-N 328.376 2.016 0 3 EEAF COc1ccc2c(c1O)-c1c(O)c(OC)cc3cc[n+](C)c(c13)C2=O 15257692 MHVSKKRAWILWRN-UHFFFAOYSA-O 338.339 2.304 0 1 EEAF O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1ccc(O)c([N+](=O)[O-])c1 140525431 LSXYUYXMNIJERR-UHFFFAOYSA-N 349.302 2.349 0 1 EEAF NC(=O)CCNC(=O)c1ccccc1SC(=O)NC1CCCCC1 1662950 UISNSGXATULETI-UHFFFAOYSA-N 349.456 2.426 0 1 EEAF CC=Cc1ccc2n(c1=O)C[C@H]1C[C@H]2CN(S(=O)(=O)CCC)C1 2356321453 OJTNKIAEDVXZFJ-ZFWWWQNUSA-N 336.457 2.040 0 1 EEAF O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCCCC1 2460806 YYPWETYFIPQZEL-UHFFFAOYSA-N 349.456 2.324 0 3 EEAF CN1C(=O)C[S@@](=O)c2ccc(C(=O)NCCC3=CCCCC3)cc21 4688847 NEXVUTXNKVQTEP-DEOSSOPVSA-N 346.452 2.391 0 3 EEAF O=C(O)[C@H]1Cc2ccccc2C[C@@H]1S(=O)(=O)c1ccc(F)cc1 28342878 OYIPUXHXYNUYPO-HOTGVXAUSA-N 334.368 2.468 0 1 EEAF O=C1C[C@H](O)[C@@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]12 58648663 GREJPBKWGASYSC-RANZSIQMSA-N 332.396 2.350 0 1 EEAF O=S(=O)(c1ccccc1)N1[C@@H]2CC[C@@H]1CC(O)(c1cccnc1)C2 101633158 RIMXGVCDWOSAPD-HZPDHXFCSA-N 344.436 2.285 0 1 EEAF COc1ccc(Cc2n[nH]c(N3C(=O)c4ccccc4C3=O)n2)cc1 64587569 HFYHSNQBVAXLOA-UHFFFAOYSA-N 334.335 2.205 0 1 EEAF CC(=O)OCC(C)(C)C(=O)C[C@@H](O)C=CC=CC(C)(C)[C@H](C)O 2356810196 AXDICNFRLXYFCS-ZFWWWQNUSA-N 326.433 2.415 0 1 EEAF CC1(C)Oc2c(C=O)cc3c([nH]c4cc(O)ccc43)c2[C@H](O)[C@@H]1O 13399209 NKDKVISDCZDDBO-RDJZCZTQSA-N 327.336 2.405 0 1 EEAF biogenic COc1cccc2n1cc(-c1cccc(OC(=O)N(C)C)c1)[n+]2C 49792798 RPKOQFLYPBZPQD-UHFFFAOYSA-N 326.376 2.500 0 1 EEAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@H]1CCCNC1 45498140 UXZRCIBKIDILEF-LBPRGKRZSA-N 344.440 2.388 0 1 EEAF in-vitro Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1NCc1cccc(F)c1 82212906 MCUNWKVKAQAHTA-AWEZNQCLSA-N 343.406 2.238 0 1 EEAF O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)[C@H]1COCC[C@H]1N=C2 140079011 PHYVZWNIDCNYML-QWHCGFSZSA-N 335.310 2.072 0 1 EEAF C[C@@H]1[C@@H](O)C[C@]23COC(=O)C2=CC[C@@H](O)[C@@H]3[C@@]1(C)CCc1ccoc1 238759342 RVZLDPWPUOTCAE-XPFKWROGSA-N 346.423 2.470 0 1 EEAF C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@H](CC[C@@H]3O)[C@@]12C[C@H](c1ccoc1)OC2=O 257439476 HUIHUOGNNSDDIV-QKVRPCBHSA-N 344.363 2.287 0 1 EEAF O=C(C[C@H]1COC[C@H]2CN(Cc3ccccc3)C[C@@H]12)N1CCCC1 299843463 RWQQQCMXCUZUQH-OTWHNJEPSA-N 328.456 2.394 0 1 EEAF Cc1cc(C(=O)N2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@H]32)c(C)[nH]1 299843874 ZAQZYWSFZMLRGT-JFIYKMOQSA-N 341.411 2.478 0 1 EEAF N[C@@H](CP(=O)(O)O)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586922001 HJQUCSZCQUDWLQ-LURJTMIESA-N 343.629 2.413 0 1 EEAF O=C(O)Cc1ccc(Cc2nc3nc(Br)c[nH]c-3n2)cc1 587961030 HTLYSPSIKULSSY-UHFFFAOYSA-N 347.172 2.285 0 1 EEAF Cc1cccc2c1NC(=O)[C@@]21NC[C@H]2CC(=O)N(C)c3cccc1c32 963033682 UDULVOLDZYZKTD-ODXCJYRJSA-N 333.391 2.244 0 1 EEAF CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 11664341 QSVRAGHCOWYAPB-INIZCTEOSA-N 327.432 2.240 0 1 EEAF CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCN(C)CC1 15671954 WYAJYTLNLOIJBW-UHFFFAOYSA-N 333.457 2.024 0 1 EEAF O=Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)cc(F)c1O 169699754 HSHBSCLGZZKDRH-UHFFFAOYSA-N 329.327 2.483 0 1 EEAF COC(=O)c1ccc2nc(CO[C@H]3CN(CC4CC4)C[C@@H]3F)[nH]c2c1 2356302361 SVIYMOSQFPRCCU-BBRMVZONSA-N 347.390 2.298 0 1 EEAF COC(=O)c1c(Cc2ccccc2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] 3961897 BXTQMTBEOIXJOJ-UHFFFAOYSA-N 344.754 2.137 0 1 EEAF COc1cc(N)c(Cl)cc1C(=O)NCC12C[C@@H]3CN(C[C@H]3C1)C2 100818559 UVHMYOBKZSQXOO-GHMZBOCLSA-N 335.835 2.002 0 1 EEAF O=C1Nc2ccccc2[C@]12N=c1ccccc1=C1Nc3ccccc3N12 104013594 PJAFZTSHCNBLBS-OAQYLSRUSA-N 338.370 2.123 0 3 EEAF O=C1N=C(O)C2(CCN(CC[C@@H]3CC(=O)c4ccccc4C3)CC2)N1 28468529 GFBHXJNBKTVEMY-ZDUSSCGKSA-N 341.411 2.336 0 1 EEAF CC(C)n1c(=O)c2ccccc2n1Cc1cn(Cc2cccnc2)nn1 95599382 NQWMQZQSLQICPZ-UHFFFAOYSA-N 348.410 2.467 0 3 EEAF C/C=C1/CN2CC[C@]34c5cc(OC)ccc5N[C@H]3[C@H](CO)[C@H]1C[C@H]24 238760030 WASNVZYFPCLQAH-XAFNMHBUSA-N 326.440 2.390 0 1 EEAF NC(=O)CC1(n2cc(Nc3ncnc4[nH]ccc34)cn2)CCCCC1 653846552 OVRJHFDNCJKKAQ-UHFFFAOYSA-N 339.403 2.433 0 1 EEAF COC(=O)CC1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587527627 YJNLBADYHKBZDQ-UHFFFAOYSA-N 346.379 2.396 0 1 EEAF CON(C)C(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570853 JPTVOWHCZBWZMO-KDOFPFPSSA-N 343.335 2.132 0 1 EEAF COC(=O)CC[C@@H](C(=O)OC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397706 ANBJSIQEKHBJMD-SGTLLEGYSA-N 349.383 2.044 0 1 EEAF NS(=O)(=O)c1ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c1 586878313 CMSZFHNLOSEFOM-VMPITWQZSA-N 343.364 2.079 0 1 EEAF O=P(O)(O)[C@@H](Nc1ccccc1)c1cccc2nc(O)c(O)nc12 13440503 FTBHFNJYFXSJEB-OAHLLOKOSA-N 347.267 2.329 0 1 EEAF N#CNC(=N)NCCCCCCn1nc(-c2ccccc2)ccc1=O 27213973 MEODNPVTVOWWAH-UHFFFAOYSA-N 338.415 2.066 0 1 EEAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccccc3[C@@](O)(C(=O)OC)[C@H]21 2356478877 WPVIERSTJRJSID-AXUOBQJMSA-N 332.396 2.298 0 1 EEAF CC(=O)Oc1ccc(/C=C\c2cc(O)cc(=O)o2)cc1OC(C)=O 238779833 CBBOGUSFOYSFMI-HYXAFXHYSA-N 330.292 2.366 0 1 EEAF CC[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3[C@@H](C=N4)C[C@H]2N(C)C1 39949131 BMMFLSWFLUVBSZ-UHQDVWGKSA-N 339.439 2.091 0 1 EEAF biogenic COc1ccc2c(c1OC)CCc1cc3c(O)nc(O)nc3nc1-2 587561427 PUDFPQNJAXFWAO-UHFFFAOYSA-N 325.324 2.219 0 1 EEAF CNC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576038 DUGJLJDSKPPKIW-CRAIPNDOSA-N 327.336 2.249 0 1 EEAF N=c1[nH]cc2nc(-c3cc(Br)c(F)cc3F)nc-2[nH]1 587136144 KHZMEWJFBLGVIE-UHFFFAOYSA-N 326.104 2.425 0 1 EEAF COc1ccc([C@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1 587561402 PMHNRLILMISKDK-GFCCVEGCSA-N 337.335 2.092 0 1 EEAF COc1cc2c(cc1OC)-c1nc3nc(O)nc(O)c3cc1CC2 587560884 ICUNRARVRZFISL-UHFFFAOYSA-N 325.324 2.219 0 1 EEAF O=C(O)CCc1ncc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12 201421636 UFPCPUIJYWTAEM-UHFFFAOYSA-N 325.246 2.212 0 1 EEAF O=C1CC[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 202430287 XNXORWDKIQPSNX-NSMLZSOPSA-N 325.408 2.411 0 1 EEAF NCCC[C@H](N)CNC(=O)C(Cc1ccccc1)Cc1ccccc1 1857564092 FWDGLVGZTOTQOI-FQEVSTJZSA-N 339.483 2.270 0 1 EEAF c1cncc(CN2CCN(Cc3cccnc3)[C@@H](Cn3ccnc3)C2)c1 1857614309 WHMJYYFMUVBLOT-HXUWFJFHSA-N 348.454 2.060 0 1 EEAF CCCCOC(=O)N[C@H](C(=O)N[C@H](CCCC)C(=O)O)C(C)C 27745876 WBOPJFBHTDFKKU-OLZOCXBDSA-N 330.425 2.297 0 1 EEAF C[C@]1(O)CCN(CC2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356758736 CZNNTSRAVGNGHE-BJLQDIEVSA-N 328.456 2.489 0 1 EEAF COC1=C2C[C@H](C(C)(C)O)O[C@H]2N(C)c2c1ccc(OC)c2OC 2356804064 AALRYELCQPWEHI-CXAGYDPISA-N 335.400 2.397 0 1 EEAF COC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c(=O)c1OC 34093465 LNWYJMVLQRCWFG-UHFFFAOYSA-N 328.246 2.047 0 1 EEAF CS(=O)(=O)Cc1noc(-c2ccc(C(=O)C(F)(F)F)s2)n1 40395523 AQCULNMHTOBDQM-UHFFFAOYSA-N 340.304 2.088 0 1 EEAF CNCCCn1c2c(c3ccc(N)cc3c1=O)[C@@H](O)c1ccccc1-2 95552690 MFMDWKOWKFXPQN-IBGZPJMESA-N 335.407 2.255 0 1 EEAF Oc1nccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587008528 MDSKVZOLIAKXRE-UHFFFAOYSA-N 331.133 2.136 0 1 EEAF COC(=O)C[C@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 587395581 RQFOYUTZWVQYCX-SFHVURJKSA-N 326.352 2.396 0 1 EEAF CC(C)(C)OC(=O)N1CCCc2nc3nc(O)nc(O)c3cc2CC1 587558264 PUWNGJUEFMOPTE-UHFFFAOYSA-N 346.387 2.162 0 1 EEAF O=C([C@@H]1CN2CCC[C@@H]2CO1)n1nc2cc1Oc1ccc(F)cc1-2 587874813 CRZYLTLBTMNCGO-ABAIWWIYSA-N 329.331 2.298 0 1 EEAF COc1cccc([C@@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)c1 587560053 VHVZNDSJSXHTOT-LBPRGKRZSA-N 337.335 2.092 0 1 EEAF C[C@@]1(c2ccc(O)c(CCO)c2)c2ccsc2CCN1C(N)=O 962693692 ATMKILWPORCCCQ-QGZVFWFLSA-N 332.425 2.189 0 1 EEAF Cc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccnc1 201448344 SKWGFONGWLFXBC-INIZCTEOSA-N 345.424 2.182 0 3 EEAF CCC(C)(C)NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12 5067625 GKVJVCHULOZAAV-UHFFFAOYSA-N 349.456 2.160 0 1 EEAF O=C1C[C@@H](c2ccccc2)n2nc(NC(=O)c3ccccc3)nc2N1 13121866 WAFXEXACUNLMEV-AWEZNQCLSA-N 333.351 2.462 0 3 EEAF Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(O[C@H]2CCNC2)c1F 29546923 MEJCGHQYEAPYAI-LBPRGKRZSA-N 348.353 2.485 0 1 EEAF CCOC(=O)C1=C(N)Oc2cc(OC)ccc2[C@@H]1c1cccnc1 103253058 UHLSWLMOHAHRCV-HNNXBMFYSA-N 326.352 2.348 0 1 EEAF CNC(=O)c1cc([C@@H](O)CN[C@@H](C)CCc2ccccc2)ccc1O 27737228 IGMABZYDUYLHHS-LIRRHRJNSA-N 342.439 2.396 0 1 EEAF COc1ccc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)cc1O 59772336 NJASMKIFEGXLSL-UHFFFAOYSA-N 346.291 2.300 0 1 EEAF C[C@@]1(CO)[C@H]2CC=C3C[C@H]4C[C@]3(CC[C@]4(O)CO)[C@]2(C)CC[C@H]1O 2356597969 AOVRTCZFFWQNCK-JXUVHZKSSA-N 336.472 2.006 0 1 EEAF CO[C@@H]1C=C[C@](C)(O)[C@H](O)CC(=O)O[C@H](C)[C@H](C)CCC=C1C 2356838359 LZIHYJALJHKOOV-YGSJXBCNSA-N 326.433 2.368 0 1 EEAF O[C@H]1[C@H](Sc2ccccc2)[C@H]2OC[C@@H](O2)[C@@H]1NCc1ccco1 2356847939 PAWLIULBPCWXBA-ALYAQQCSSA-N 333.409 2.015 0 1 EEAF CCCCNC(=S)NS(=O)(=O)c1ccc(OCC)cc1C 33857574 JISVKPCNMFPKHS-UHFFFAOYSA-N 330.475 2.347 0 1 EEAF O=C(NC1CC1)c1cc(C2CC2)nc2onc(C3CCNCC3)c12 71995700 NUBBUQCSUOZFCH-UHFFFAOYSA-N 326.400 2.459 0 1 EEAF CC(C)S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 73219064 DUPPYVOKYGQCLR-UHFFFAOYSA-N 330.494 2.276 0 1 EEAF COc1cccc2c1[C@H](O)c1ccc3c(c1[C@H]2O)C(=O)C[C@@](C)(O)C3 14764883 QFZLZZBDRASJLL-AABGKKOBSA-N 340.375 2.052 0 1 EEAF biogenic CN(C)c1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 71294650 HHUNCHPIUIFIIS-UHFFFAOYSA-N 336.852 2.265 0 1 EEAF CC(C)N1CCN(C(=O)OC2CCN(c3ccccn3)CC2)CC1 223495172 NIHSBGUODBWHIQ-UHFFFAOYSA-N 332.448 2.213 0 1 EEAF CN1CC[C@]2(Cl)C=C[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@H]12)OCO5 96909150 SZKLJVMZWDAIPR-FIUQPQMISA-N 333.771 2.289 0 1 EEAF O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1N/C=C1\C=Nc2ccccc21 263591987 AKRGZQAXQXGGAE-ITDVAAOOSA-N 331.375 2.301 0 3 EEAF C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 621485869 QDTUZOHAVLOKAT-GFCCVEGCSA-N 342.848 2.255 0 1 EEAF O=C(O)c1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1F 586925138 WBMJIJOZTBFLCC-UHFFFAOYSA-N 326.349 2.258 0 1 EEAF Oc1nc(O)c2cc3c(nc2n1)C[C@H]1CN(Cc2ccccc2)C[C@@H]1C3 587559533 ZQVBDUXTGWEZSN-GJZGRUSLSA-N 348.406 2.283 0 1 EEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@@]2(C(=O)O)[C@@H]1[C@H]3[C@@H]42 587409881 XHHYDMXZAOYSGO-MIZFREBLSA-N 337.375 2.124 0 1 EEAF CN(C)c1nc2nonc2nc1N[C@@H](c1ccccn1)C(F)(F)F 11936962 COUXLNTXCGRSQL-QMMMGPOBSA-N 339.281 2.189 0 1 EEAF O[C@H]1O[C@@H](COc2cc(Cl)c(Cl)cc2Cl)CO[C@H]1O 17197277 JGIHPWVJUMJHHI-LYBZADQPSA-N 329.563 2.078 0 1 EEAF COc1ccccc1C(=O)N1CCn2c(nnc2-c2ccccn2)C1 168704472 LRLLTEDNOPLVSK-UHFFFAOYSA-N 335.367 2.005 0 1 EEAF COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCCO2)nc1=O 209703295 QGGCJRGMWINUAP-HNNXBMFYSA-N 342.395 2.423 0 1 EEAF CCOC(=O)[C@@](N)(c1c[nH]c2cccc(C(=O)OC)c12)C(F)(F)F 1857551161 RZEJHEGWLUAUFB-AWEZNQCLSA-N 344.289 2.234 0 1 EEAF O=c1c2ccccc2nnn1Cc1cc[n+](Cc2ccc(F)cc2)cc1 1857607160 YGRQNPPZSQKOEW-UHFFFAOYSA-N 347.373 2.315 0 1 EEAF COc1ccc(N=c2[nH]c(N3CCOCC3)ncc2F)cc1Cl 1857619281 AVLMMCGZPRSKSO-UHFFFAOYSA-N 338.770 2.280 0 1 EEAF CC[C@@H]1C[C@H]2C[C@H]3[C@H]1N(C2)C[C@@H](O)[C@@]31Nc2ccc(OC)cc2C1=O 2356332431 DSABJRUCTHPZJA-XLSQLVAFSA-N 342.439 2.153 0 1 EEAF C[C@@H]1O[C@H](OCCCCCCCCCCC(=O)O)[C@@H](O)C[C@H]1O 2356629472 GEMAYWCAMMUVTD-IVSAIRAKSA-N 332.437 2.455 0 1 EEAF COc1c2ccoc2c(OC)c2oc(=O)c(C[C@@H](O)C(C)(C)O)cc12 15150255 ZGVWUTLWBHFMNG-GFCCVEGCSA-N 348.351 2.231 0 1 EEAF biogenic COc1ccccc1NS(=O)(=O)c1ccc(N2CCNC2=O)cc1 73387254 SSVQOJYLVBBGGS-UHFFFAOYSA-N 347.396 2.026 0 1 EEAF COc1ccc(OC)c2c1C[C@H](O)c1c(OC)ccc(O)c1C2=O 14618197 ZLIDOLMMMSGHPL-NSHDSACASA-N 330.336 2.239 0 1 EEAF biogenic COc1ccc(C2=NNC(=O)C2(C)C)n2cc(C(F)(F)F)nc12 84688553 HXQYFZDZEQNEES-UHFFFAOYSA-N 326.278 2.222 0 1 EEAF N[C@H]1C[n+]2c([nH]c3cnc(F)cc32)C[C@@H]1c1cc(F)c(F)cc1F 139725166 LNIBYAYSCYQWEJ-PELKAZGASA-O 337.300 2.074 0 1 EEAF COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(C)c1)[C@@H](O)C2=O 238742729 IKRSYTWAXFVNFF-ZWKOTPCHSA-N 330.336 2.395 0 1 EEAF CC1=C(c2ccc3nc(C4CCC(N)CC4)[nH]c3c2)NNC(=O)C1 587256431 IQIVXORPMRGPPD-UHFFFAOYSA-N 325.416 2.303 0 1 EEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(Cl)ccnc2[nH]1 586944617 OKEBBOQJEXGKGF-UHFFFAOYSA-N 340.792 2.229 0 1 EEAF Nc1ccc2c3c1[C@@]1(C[C@@H](C(=O)O)Oc4ccc(F)cc41)N(CC3)C2 962948609 BADJVLJDWXJNLB-LPHOPBHVSA-N 340.354 2.259 0 1 EEAF CC(=O)N[C@@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772647869 ZEEKDUDGUNORBS-NSHDSACASA-N 339.399 2.172 0 1 EEAF Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N23)o1 147769995 UJOZBHFPNGYOTF-DNVCBOLYSA-N 349.390 2.384 0 1 EEAF CC1CCN(CCCNC(=O)[C@@H]2CCC(=O)N2C2CCCC2)CC1 2964902 MICGKERRNJCTCG-KRWDZBQOSA-N 335.492 2.158 0 3 EEAF NC(=O)n1ccc2ccc(-c3ccc(CN4CCOCC4)cc3)nc21 103236252 QHIIDJMYFYGHEO-UHFFFAOYSA-N 336.395 2.462 0 1 EEAF Nc1c(Cl)cc(C(=O)N[C@@H]2CN3CCC2CC3)c2ncccc12 27523397 APTTVZDGFWGGHT-CQSZACIVSA-N 330.819 2.294 0 1 EEAF O=C1C[C@H]2O[C@@H]3C=C[C@H](O)[C@@H]1[C@H]3C21Oc2cccc3cccc(c23)O1 2356670943 ITJMKILNODXZIW-AHLVGSPESA-N 336.343 2.211 0 1 EEAF COC(=O)N1CCCC[C@@H]1c1cc(C(=O)NCc2cccnc2)no1 61907852 RUGXJGKGGBIYGC-CQSZACIVSA-N 344.371 2.293 0 3 EEAF COc1ccc2c(c1)sc1c(N3CCN(C)CC3)nc(N)nc12 73196044 LNOHQKPOCBJPMP-UHFFFAOYSA-N 329.429 2.187 0 1 EEAF COc1cccc(CN2C=CC(=CC3=c4ccccc4=NC3=O)C=C2)c1 377466636 MYBIHSVFIFBFIZ-UHFFFAOYSA-N 342.398 2.475 0 1 EEAF CCN1c2cc(-n3c(O)nc4ncccc43)ccc2C(=O)NC1(C)C 653848903 GILPLWUKAXFPKQ-UHFFFAOYSA-N 337.383 2.432 0 1 EEAF Cn1ccc(-c2cn(-c3ccccc3Cl)c(=O)c3c(N)n[nH]c23)n1 653782523 TXDFVBXSSUKLQD-UHFFFAOYSA-N 340.774 2.350 0 1 EEAF CN1[C@@H]2C[C@H](O)[C@H]1C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518095 ALDGFBJBDPWKFO-PJKMLTEKSA-N 327.424 2.497 0 1 EEAF NC(=O)Nc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 587244258 ZEVYRCKQGXMPGH-UHFFFAOYSA-N 333.149 2.225 0 1 EEAF CS(=O)(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 586950798 MOOCVUNEFLSFDE-UHFFFAOYSA-N 345.380 2.373 0 1 EEAF O=C1NC(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2C1=O 13683186 NHQDWGLEBVLKOF-UHFFFAOYSA-N 328.711 2.045 0 1 EEAF O=C(NCc1ccccc1)[C@]1(C(=O)C2CC2)CC(c2ccccn2)=NO1 203474188 ZHMNWUYONFUNIX-HXUWFJFHSA-N 349.390 2.240 0 3 EEAF C[C@]12CC[C@@H]3[C@](CC[C@@H]4[C@](C)(CO)C[C@@H](O)C[C@@]34C)(C1)O[C@H]2CO 1857553799 RHVZEDFWXHIGFQ-PUYZKXPRSA-N 338.488 2.492 0 1 EEAF CCOC(=O)C[C@@H](C)NC(=O)CCCCc1ccc(C(=N)N)cc1 1534652 GBIKZKIRMZMLHF-CYBMUJFWSA-N 333.432 2.141 0 1 EEAF CCCCCCN1C(=O)CC(=O)N(CCCCCC)S1(=O)=O 1662092 JKQRSYNXIKTECI-UHFFFAOYSA-N 332.466 2.453 0 1 EEAF CC1(C)C[C@H](O)C[C@]2(C)[C@H](CCC(=CCO)CO)C(CO)=CC[C@H]12 2356463644 HSBZCMPCYVPQSX-JRBPQWBISA-N 338.488 2.420 0 1 EEAF CCO[C@@H]1C=C[C@]23c4cc5c(cc4[C@H](OC)O[C@@H]2CN[C@@H]3C1)OCO5 2356306214 HIRWMWMVHFIAHG-ZSBIPAPESA-N 345.395 2.034 0 1 EEAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC(=O)[C@H]1[C@@H]3C[C@@H](C[C@@H]12)OC3=O 100494628 FJCWYLRNGKSUCH-RIRFMOJUSA-N 344.363 2.431 0 1 EEAF in-man Cn1ncnc1[C@@H]1c2n[nH]c(=O)c3cccc(c23)N[C@@H]1c1ccccc1 68201018 GOMMADJURTTYPW-JKSUJKDBSA-N 344.378 2.350 0 1 EEAF CC1=C[C@H](OC=C2C(=O)O[C@@H]3c4c(C)ccc(C)c4[C@@H](O)[C@@H]23)OC1=O 2356534004 VTDCLRRDQIBELF-BASLNEPJSA-N 342.347 2.294 0 1 EEAF COC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(O)cc1 42890507 BHUUUPNRBJRXPT-UHFFFAOYSA-N 328.276 2.363 0 1 EEAF CCOC(=O)C[C@@]1([C@@H]2CCOC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454684 VXYZEJARSPBCJE-TVZGQMOCSA-N 346.379 2.171 0 1 EEAF CN1C=C[C@]2(CC1=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587593055 IXBZJNNNTAVFEF-QFBILLFUSA-N 337.331 2.468 0 1 EEAF CCOC(=O)C(F)(F)[C@@H]1CCCc2nc3nc(O)nc(O)c3cc21 587369261 XNQHVLFPMDWONA-SECBINFHSA-N 339.298 2.054 0 1 EEAF CN(Cc1nc2cccnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928713 IIQQVWBZXRKMAE-UHFFFAOYSA-N 336.804 2.432 0 1 EEAF Ic1cccc2nc(CC3OCCO3)[nH]c12 586907083 DBMAVLOWGSJIFG-UHFFFAOYSA-N 330.125 2.083 0 1 EEAF CCCc1c(O)ccc2c1O[C@]1(CCN(C)[C@@H](C(=O)OC)C1)CC2=O 587476021 NZLXKMIDMHVHMU-KUHUBIRLSA-N 347.411 2.316 0 1 EEAF NC(=O)N1CCCc2cc(-c3cncc(C4CCNCC4)c3)cnc21 1772643946 JDGSFDABTRTBGG-UHFFFAOYSA-N 337.427 2.442 0 1 EEAF CS(=O)(=O)Cc1cc(C2=CCOCC2)nc(-c2cccc(O)c2)n1 1857619547 YLSHFUAVQAYJQU-UHFFFAOYSA-N 346.408 2.198 0 1 EEAF Cc1ccc(S(=O)(=O)Nc2cnc3c(c2)OC(C)(C)C(=O)N3)cc1 1857773314 OCEVIBJVETYYGF-UHFFFAOYSA-N 347.396 2.300 0 1 EEAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1cccc(F)c1 2356298700 VQHBFSXVGBLKGL-IPYPFGDCSA-N 326.437 2.224 0 1 EEAF O=C1c2ccc(Cl)c(Cl)c2C(=O)N1CCCn1cncn1 27903108 GJOIORCUFGGUNX-UHFFFAOYSA-N 325.155 2.271 0 1 EEAF C[C@H]1CCCN1CCCOc1ccc(C2=NNC(=O)[C@@H]3C[C@@H]23)cc1 115998335 FJHKZEVPGYADEG-IAOVAPTHSA-N 327.428 2.410 0 1 EEAF CCN(CC)CC(=O)Nc1cccnc1C(=O)Nc1nccs1 28339236 LQYJJZHLFHMDIA-UHFFFAOYSA-N 333.417 2.071 0 1 EEAF Cn1nc(C2CCNCC2)c2c(C(=O)NC3CC3)cc(C3CC3)nc21 71995100 BTKFXOWAPRYFBS-UHFFFAOYSA-N 339.443 2.205 0 1 EEAF OCCCCNc1cncc(Oc2cccc(N3CCOCC3)c2)n1 82068622 PXMYREFMWMKUFZ-UHFFFAOYSA-N 344.415 2.290 0 1 EEAF Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1NCc1ccc(F)cc1 82212903 VAQMDRBFDUAXIK-CQSZACIVSA-N 343.406 2.238 0 1 EEAF COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1OC 195435481 XTYVHQPRDBFNFI-KFZJALRRSA-N 327.380 2.053 0 1 EEAF CC(C)C[C@H](NC(=O)c1cc(OCC2CC2)c(C2CC2)cn1)C(N)=O 149219894 NPFIGBPBAPXXAC-HNNXBMFYSA-N 345.443 2.378 0 1 EEAF CCCCOc1nc(N)c2c(n1)N(Cc1ccccc1)CC(=O)N2 96934207 KGTSNHVGXABFGM-UHFFFAOYSA-N 327.388 2.196 0 1 EEAF COc1ccc(Cn2cc(C(N)=O)c(=O)c3c(F)ccc(F)c32)cc1 96906841 XORHELMDUKYHGT-UHFFFAOYSA-N 344.317 2.436 0 1 EEAF COc1ccc(NC(=O)COc2ccc(C3=NCCN3)cc2)cc1 653771409 QERPHZRBYIZUPI-UHFFFAOYSA-N 325.368 2.063 0 1 EEAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(C(=O)O)n1)[C@@H](C2)C3=O 587436287 PNVUCVDSDPKRSB-BBATYDOGSA-N 325.320 2.451 0 1 EEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cnc(Cl)cc3[nH]2)c1 586937174 WMVLBNXVRGBRCW-UHFFFAOYSA-N 339.808 2.293 0 1 EEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C[C@@H](C)O 587868293 YTXZVSSAKPWYSJ-MRVPVSSYSA-N 329.278 2.384 0 1 EEAF Nc1ccc2oc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)cc2c1 587253032 YGIUGAFBNWFPDO-UHFFFAOYSA-N 328.353 2.206 0 1 EEAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c12 587092741 GLKYDCBAKCVDGA-YUMQZZPRSA-N 333.335 2.479 0 1 EEAF COCCN(C)C[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772601330 GWAXVLMXMQBQTP-HDJSIYSDSA-N 342.447 2.458 0 1 EEAF CCCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 13441910 SBLYEWUCOYPKCW-INIZCTEOSA-N 338.473 2.287 0 1 EEAF COc1cccc([C@@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@H]32)c1OC 1857590460 PYSZPPLIRBHCRY-ZIAGYGMSSA-N 327.340 2.126 0 1 EEAF COC(=O)c1cc(O)cc(O)c1C(=O)c1c(O)cc(C)cc1OC 29567858 HFBUAGQLOXYKLO-UHFFFAOYSA-N 332.308 2.138 0 1 EEAF COc1cc(O)cc2c1C(=O)[C@@H]1OCc3c(ccc(O)c3O)[C@@H]1O2 13410938 XILDQPIWFUPOAO-IRXDYDNUSA-N 330.292 2.027 0 1 EEAF biogenic O=S(=O)(c1ccc(F)cc1)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 74377001 UFTHNJIUBHFQNR-JKSUJKDBSA-N 346.383 2.249 0 3 EEAF NC(=O)c1cccc2c1C(=O)N(c1cccc(C3CCNCC3)c1)C2 45364322 FOQZKROIEDOMGK-UHFFFAOYSA-N 335.407 2.413 0 1 EEAF Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H](O)[C@@H]21 238736915 ZEHIXFMWFRDDON-OVCSSCHWSA-N 343.423 2.315 0 1 EEAF CN1CCCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc23)CC1 95593961 VOCYWJOWGSADIE-UHFFFAOYSA-N 340.406 2.488 0 1 EEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nncn2C)N1 587752106 BRHWATALQJAOKS-KRTXAFLBSA-N 325.185 2.340 0 1 EEAF CN[C@H](c1cccnc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587222909 LHYMHNSVUVLEDL-QGZVFWFLSA-N 325.416 2.207 0 1 EEAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587164699 ZEKRLZQYJQBHCD-MRXNPFEDSA-N 337.362 2.329 0 1 EEAF Nc1ccnc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 587149657 OZZDJBIBPJFQQV-JTQLQIEISA-N 343.337 2.334 0 1 EEAF O=C(CCCc1nc2c(O)nc(O)nc2[nH]1)c1ccc(Cl)cn1 587081290 MHSCSRIKLKWQJW-UHFFFAOYSA-N 333.735 2.018 0 1 EEAF O=C(Cc1nc2c(S)nc(S)nc2[nH]1)OCc1ccccc1 587782195 IGBQJKVKVCKYED-UHFFFAOYSA-N 332.410 2.216 0 1 EEAF CN1CCC[C@H](C(=O)NCc2cccnc2-n2cnc3ccccc32)C1 14981270 MRDTUHDCISYNPS-INIZCTEOSA-N 349.438 2.379 0 1 EEAF O=C(NCc1ccccc1)[C@@]1(C(=O)C2CC2)CC(c2ccccn2)=NO1 203474193 ZHMNWUYONFUNIX-FQEVSTJZSA-N 349.390 2.240 0 3 EEAF N=c1[nH]c2nc(C3CC3)c(Cc3cccc(C(F)(F)F)c3)c(=O)n2[nH]1 1857563070 VJOUWHSXSNYAFP-UHFFFAOYSA-N 349.316 2.317 0 1 EEAF