smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(NCCN1CCCOC1=O)[C@H](c1ccc(F)cc1)N1CCCCC1 218309065 FCDYGMBTJWZDJC-KRWDZBQOSA-N 363.433 2.311 70 50 FEIA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2 218692247 KOKYRDLNGIPGBJ-QGZVFWFLSA-N 362.861 2.064 70 50 FEIA CSCc1ccc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)o1 217557577 KSIPYPJZLPNMGL-UHFFFAOYSA-N 357.439 2.148 70 50 FEIA O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1OC(F)F 159380021 JSELDFWMOSCNSO-GFCCVEGCSA-N 369.393 2.240 70 50 FEIA CN(CC(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)Cc1cccnc1 218235274 UHFUXOUHJOMSTB-MOPGFXCFSA-N 373.428 2.005 70 50 FEIA CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875384790 INRYNBHBMZUUMW-AWEZNQCLSA-N 372.418 2.399 70 50 FEIA Cn1cc([C@@H](NC(=O)c2ccc(OC(F)F)cc2)C2CC(O)C2)cn1 218156712 MMYOVCOOTAELFK-HGMXIMQMSA-N 351.353 2.264 70 50 FEIA CCn1cc(C(=O)NCCn2cccn2)c(=O)c2cc(F)c(F)c(F)c21 218498683 HNKTYYTULLVXGH-UHFFFAOYSA-N 364.327 2.065 70 50 FEIA CC(=O)c1cc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)[nH]n1 218368642 SIRUEDHMWUPUDY-XBMPDCEQSA-N 364.405 2.403 70 50 FEIA Cc1nc(-c2ccc(CNC(=O)CCc3c(C)nc(O)nc3C)cc2)no1 218779198 PJELUOZGKNCVHL-UHFFFAOYSA-N 367.409 2.406 70 50 FEIA COc1cncc([C@H](NC(=O)CCc2scnc2C)[C@H]2C[C@H](O)C2)c1 218717940 CSMKSKJLYSNXKW-UVBSCNOISA-N 361.467 2.416 70 50 FEIA O=C(CN1CCC(c2ccccc2)CC1)NCCCn1ccccc1=O 217525058 OYWYNQHRXIBRAG-UHFFFAOYSA-N 353.466 2.234 70 50 FEIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CSc1nnc(C)s1 218764376 ATFQZQHBBDZBQW-CHWSQXEVSA-N 357.501 2.195 70 50 FEIA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc(Cn2cccn2)o1 218094882 NEZVJNXETAHIBZ-IYOUNJFTSA-N 352.394 2.161 70 50 FEIA COc1ccccc1-n1cc(CNC(=O)[C@@H](O)c2ccccc2F)cn1 216997524 ANRRFVKWSIMADE-SFHVURJKSA-N 355.369 2.370 70 50 FEIA O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCc1cccnc1 218496181 GYRDPRXSMMGIAE-KRWDZBQOSA-N 374.400 2.366 70 50 FEIA CC(=O)c1c(C)nn(CC(=O)NCCc2nc(C)c3c(n2)CCCC3)c1C 218622646 PIJOTFBQNUANPS-UHFFFAOYSA-N 369.469 2.039 70 50 FEIA Cc1nnnn1CCC(=O)NCc1cc(COc2ccccc2)cs1 218748885 GVDQMGAMBSPQGT-UHFFFAOYSA-N 357.439 2.329 70 50 FEIA O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](CS(=O)(=O)F)C1 2325887692 WMURSOCYBQOOKC-SECBINFHSA-N 356.331 2.102 70 50 FEIA CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc(OCC(N)=O)cc2)n1 160985671 SBOIBBPOPMTFIP-UHFFFAOYSA-N 365.393 2.151 70 50 FEIA COc1cc(Cl)cc(CN2CCCn3nc(CO)cc3C2)c1OC 218747329 SMKCALDLEQYTNO-UHFFFAOYSA-N 351.834 2.452 70 50 FEIA CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([B-](F)(F)F)cc2)CC1 170018706 FVIXLRPCWGDIPH-UHFFFAOYSA-N 357.161 2.434 70 50 FEIA Cc1cccc2cc(C(=O)N3CCCn4nc([C@@H](O)CO)cc4C3)oc12 217004925 CVGUIPNCWQLKKW-INIZCTEOSA-N 355.394 2.010 70 50 FEIA C[C@H](O)c1cc2n(n1)CCCN(Cc1cc(C(N)=O)oc1C(C)(C)C)C2 217006819 ZJWPNXXMNJYVSB-LBPRGKRZSA-N 360.458 2.332 70 50 FEIA Cn1c(=O)n(C)c2cc([C@@H]3CC(=O)Oc4cc5c(cc43)OCO5)ccc21 218285143 IIVHZLWMUNABTQ-NSHDSACASA-N 352.346 2.047 70 50 FEIA COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCO2)c1c(O)cc(C)oc1=O 218087842 TVVAZYYVFRMLMK-NSHDSACASA-N 362.334 2.086 70 50 FEIA biogenic Cc1n[nH]c([C@H]2CCCN2C(=O)Cc2cc3c(cc2Cl)OCCO3)n1 218418919 LQUSXLPYOQDYSR-CYBMUJFWSA-N 362.817 2.444 70 50 FEIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(CN3CCCC3)o1)C2 217449447 NFAFUVPUMZIPDK-CQSZACIVSA-N 358.442 2.171 70 50 FEIA O[C@H](c1ccccc1)c1cc2n(n1)CCN(Cc1noc(C3CC3)n1)C2 217065248 IYFQKADEOLVDJK-GOSISDBHSA-N 351.410 2.241 70 50 FEIA COc1ccc(N2C[C@H](NC(=O)c3csc(SC)n3)CC2=O)cc1 218196659 DYKYFAIWSDZYPV-SNVBAGLBSA-N 363.464 2.409 70 50 FEIA CC(=O)c1c(C)nn(CC(=O)N[C@@H](c2ccccc2)c2nccn2C)c1C 218090730 RKKNVZHSNCXYHK-IBGZPJMESA-N 365.437 2.342 70 50 FEIA O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@H]1CCc2cc(F)ccc2O1 1875387831 ZOUVXAPZTATTAG-CQSZACIVSA-N 370.333 2.146 70 50 FEIA O=C(CC1(n2cccc2)CCOCC1)Nc1ccc2nc[nH]c(=O)c2c1 218184147 NXTXEYXUDNXVRY-UHFFFAOYSA-N 352.394 2.259 70 50 FEIA COc1ccc(C(=O)N(C)Cc2cc(-c3ccccn3)no2)c(OC)n1 218484441 DPVCJPLGYJTBPP-UHFFFAOYSA-N 354.366 2.421 70 50 FEIA O=C(Cc1cncs1)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1 217007904 GFQVQGYRKKJEMZ-IBGZPJMESA-N 368.462 2.396 70 50 FEIA O=C(NOCc1ccc(C(F)(F)F)cc1)c1cnc2n(c1=O)CCS2 160624928 IBUHRUNEZFOLNI-UHFFFAOYSA-N 371.340 2.229 70 50 FEIA CCS(=O)(=O)Nc1ccc(C(=O)NCCc2scnc2C)cc1 217533492 CINWXYJUQBLLGS-UHFFFAOYSA-N 353.469 2.186 70 50 FEIA COc1ccccc1C1CCN(Cc2nnc([C@H]3C[C@H](N)C3)n2C)CC1 218645592 LWZOFEIFDCJUBM-IYBDPMFKSA-N 355.486 2.408 70 50 FEIA COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)cc(C)oc1=O 218093338 UCRRAGMQJKQUQW-LLVKDONJSA-N 364.350 2.072 70 50 FEIA biogenic O=S(=O)(F)Oc1ccc(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)cc1 1875387799 YBQVWKCPNQQJEY-AAEUAGOBSA-N 371.352 2.415 70 50 FEIA CN1C(=O)C[C@@H](CNC(=O)CCN2CCCCCC2=O)c2ccccc21 217437280 KJWUFLGBGKBZNA-HNNXBMFYSA-N 357.454 2.046 70 50 FEIA O=C(N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccc(Cl)o1 217980141 BTTPNZSRNBTJMO-RPLTXICNSA-N 371.868 2.230 70 50 FEIA CC(=O)c1ccc2c(c1O)[C@@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)O2 217688966 FKZXFSGHKCPIDO-CYBMUJFWSA-N 366.373 2.226 70 50 FEIA biogenic CCc1ccc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)nc1 218202697 SPIVIPGGVLARAP-HXUWFJFHSA-N 366.469 2.062 70 50 FEIA CC(=O)N1CC(Nc2cccc(-c3n[nH]c(-c4cccnc4)n3)c2)=CC1=O 218436488 LHFUJPXOTAVNJZ-UHFFFAOYSA-N 360.377 2.218 70 50 FEIA O=C(Nc1cccc(S(=O)(=O)F)c1)Nc1ccc(C(=O)O)c(O)c1 100856000 FCJMOBUYYFMJFR-UHFFFAOYSA-N 354.315 2.393 70 50 FEIA Cc1cc(Cl)ccc1OCC(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 218133167 KHQOYIKOVAUDQU-GUUHALQZSA-N 363.845 2.389 70 50 FEIA O=C(NCCc1noc([C@H]2CCCO2)n1)c1cnc(-c2cccs2)nc1 218571878 AQDKLUBSQJGRIJ-GFCCVEGCSA-N 371.422 2.412 70 50 FEIA O=C(Cc1c[nH]c2ccccc12)N[C@@H]1COCC[C@H]1Oc1ccccn1 218672356 XWQUEOILAGMCNB-QZTJIDSGSA-N 351.406 2.458 70 50 FEIA COc1ccnc(N2CCN(C(=O)c3ccccc3N3CCCC3)CC2)n1 217351642 MQZFSQKNTUJNIC-UHFFFAOYSA-N 367.453 2.048 70 50 FEIA COc1ccc(CN2Cc3c(OS(=O)(=O)F)cccc3C2=O)cc1 1875368251 CKWUTPXFYUXWDN-UHFFFAOYSA-N 351.355 2.444 70 50 FEIA O=C(CCN1Cc2ccccc2C1=O)N1CCC[C@H](c2ccncn2)C1 217346359 UFPZSCRKVUUVTM-INIZCTEOSA-N 350.422 2.229 70 50 FEIA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc(SCCO)cc1 218507703 FNYVFWAYSWKTOQ-QGZVFWFLSA-N 364.511 2.144 70 50 FEIA COCCn1c([C@H](C)NC(=O)c2n[nH]c3c2CCC3)nc2ccccc21 218147466 GARWDVPEEMUXOY-LBPRGKRZSA-N 353.426 2.386 70 50 FEIA O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 159956495 VTLOWKRBZJUMBT-KRWDZBQOSA-N 369.490 2.137 70 50 FEIA CCN(CC)[C@@H]1CCN(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)C1 1875382753 PBJKJJXBBQLTMP-CYBMUJFWSA-N 359.423 2.228 70 50 FEIA Cc1nc(N)ncc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 218330477 WWZOYKWTQUUWCS-AWEZNQCLSA-N 364.409 2.437 70 50 FEIA CS(=O)(=O)c1ccc(C2(C(=O)NC[C@H]3CCCCO3)CCC2)cc1 218212812 CBYGGCWPMCLCHX-OAHLLOKOSA-N 351.468 2.197 70 50 FEIA CC(=O)Nc1cccc2c1ccn2CC(=O)NCCNC(=O)OC(C)(C)C 218300141 UVWBTRJIQKXSTL-UHFFFAOYSA-N 374.441 2.241 70 50 FEIA Cc1oc2c(c1C(=O)NCCc1noc([C@@H]3CCCO3)n1)C(=O)CCC2 218759703 WFMQTDLFKXNZJQ-ZDUSSCGKSA-N 359.382 2.314 70 50 FEIA Cc1nc(O)nc(C)c1CCC(=O)NCCc1noc(-c2ccccc2)n1 217584073 CAGRUZCRLDSKGH-UHFFFAOYSA-N 367.409 2.141 70 50 FEIA Cc1cc(C)n(CCCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)n1 218202093 HAJZWLOHKCJDGE-KRWDZBQOSA-N 356.474 2.103 70 50 FEIA COc1cncc([C@H](NC(=O)COCc2ccccc2)[C@H]2C[C@H](O)C2)c1 218418352 HAJRRPKBRKHQIZ-OXFYSEKESA-N 356.422 2.235 70 50 FEIA Cc1nnc(SCC(=O)N[C@@H](C)c2nc(-c3ccncc3)no2)s1 218646834 SYUJSSDRKOWQOF-QMMMGPOBSA-N 362.440 2.261 70 50 FEIA CN1C(=O)C[C@@H](CNC(=O)CC2=CSC3=NCCCN23)c2ccccc21 217478192 CZVBVBXFQDGBPT-ZDUSSCGKSA-N 370.478 2.293 70 50 FEIA Cc1nn(C)cc1CNC(=O)c1cnc(SCc2ccccc2)nc1O 217194183 SYPFBQKEDRRPAV-UHFFFAOYSA-N 369.450 2.446 70 50 FEIA O=C(NCCc1ccccc1)N[C@@H]1CCOC[C@H]1OCc1cscn1 218749802 BDOMYJKPGDQADO-IAGOWNOFSA-N 361.467 2.359 70 50 FEIA O=C1OCCN1Cc1nc(-c2ccco2)nn1Cc1ccc2c(c1)OCO2 217844733 KBHZFOJRBPEFHQ-UHFFFAOYSA-N 368.349 2.267 70 50 FEIA COC(=O)c1sccc1Nc1c(NCc2ccc(OC)cc2)c(=O)c1=O 218166531 RFRWYDLWBNAZSG-UHFFFAOYSA-N 372.402 2.495 70 50 FEIA C[C@H](C(=O)NC[C@@H]1CCCN2CCCC[C@H]12)n1cnc2ccccc2c1=O 217862026 ZUGYYDCHVLFMDE-JTDSTZFVSA-N 368.481 2.338 70 50 FEIA biogenic Cc1nn(-c2ccccn2)c(C)c1CC(=O)N[C@H](CO)c1ccccc1 218350018 MLTUOTOBVHRCNC-GOSISDBHSA-N 350.422 2.276 70 50 FEIA Cc1nc2cc(CC(=O)N3CCCn4nc([C@H](C)O)cc4C3)ccc2[nH]1 217182278 NTSLOYKTYZHERM-LBPRGKRZSA-N 353.426 2.096 70 50 FEIA COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(C)oc(=O)c43)cc2c1 218030215 HSZKRBDVYWPHDI-LBPRGKRZSA-N 353.330 2.239 70 50 FEIA biogenic Cc1ncsc1CCC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 218184311 HIJPNGZRZROHBM-ZIAGYGMSSA-N 367.496 2.331 70 50 FEIA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(-c3cccn3C)n[nH]1)C2 218080478 MMFZHFLWBGPZEN-GOSISDBHSA-N 368.441 2.101 70 50 FEIA CC(=O)c1c(C)nn(CC(=O)NCc2ccc(N3CCCC3=O)cc2)c1C 218656553 ZEQLYYBSSCJKPX-UHFFFAOYSA-N 368.437 2.146 70 50 FEIA OC[C@H](O)c1cc2n(n1)CCCN(Cc1c[nH]nc1C1CCCCC1)C2 217877090 XXPRUNDWOMLHIW-SFHVURJKSA-N 359.474 2.086 70 50 FEIA Cc1nccn1CCC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 218738196 KYBOVDKFWCTSLS-MBOZVWFJSA-N 355.438 2.145 70 50 FEIA CCOC(=O)C(CCS(=O)(=O)F)(Cc1ccccc1)C(=O)OCC 1875366968 QVEKNLZASOPNDE-UHFFFAOYSA-N 360.403 2.031 70 50 FEIA CN1CCN(C[C@@H]2CCCN(C(=O)c3ccccc3N3CCCC3)C2)CC1 217097491 ORQOYZQFMYFAAZ-IBGZPJMESA-N 370.541 2.386 70 50 FEIA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCc1ccccn1 218437471 NPSHBOJWOGRGII-MSOLQXFVSA-N 359.426 2.110 70 50 FEIA Nc1nnc(CCCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)s1 218645109 RUXTZAZXBZMBTK-HNNXBMFYSA-N 359.499 2.224 70 50 FEIA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(OC)n1 218762919 UCYKDRAEMFJRJB-IAGOWNOFSA-N 372.421 2.203 70 50 FEIA CC1(C)C[C@@](CCNC(=O)Cc2cnc[nH]c2=O)(c2ccccc2)CCO1 216996979 UHLGYUUDQCZLOQ-NRFANRHFSA-N 369.465 2.346 70 50 FEIA O=c1[nH]c2ccccc2c(=O)n1CCOc1ncccc1C(F)(F)F 160366597 UFNCGLLSJUQISR-UHFFFAOYSA-N 351.284 2.183 70 50 FEIA COCCn1c(C)cc(C)c(C(=O)Nc2n[nH]c(-c3ccccc3)n2)c1=O 218538329 BZFKTESPABKUGW-UHFFFAOYSA-N 367.409 2.149 70 50 FEIA O=C(Cc1noc2ccccc12)N1CCCN(Cc2cccnc2)CC1 216975208 IOMUWQHGODGLRE-UHFFFAOYSA-N 350.422 2.500 70 50 FEIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)C1CCN(c2ncccn2)CC1 217718479 VKAZICGGDJNPHG-ZWKOTPCHSA-N 357.502 2.074 70 50 FEIA biogenic CCN(CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C1 159748875 QQDFEEAZMKQSPU-HUUCEWRRSA-N 365.909 2.439 70 50 FEIA CCN1CCC[C@@H]1CNC(=O)c1n[nH]c2c1Cc1cc(OC)c(OC)cc1-2 218561180 GKOIVPDQQHRBHI-CYBMUJFWSA-N 370.453 2.212 70 50 FEIA CC(C)C[C@@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccnc1 218021644 CYHGUDPIHKGTPC-OAHLLOKOSA-N 352.394 2.129 70 50 FEIA O=C(C1CCOCC1)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1 218054644 LTCVAYLPQYWKCY-LJQANCHMSA-N 355.438 2.124 70 50 FEIA Cc1c(C(=O)N2CCn3nc([C@@H](O)CO)cc3C2)sc2ccccc12 217210560 FKGYDONCZNHLCH-HNNXBMFYSA-N 357.435 2.088 70 50 FEIA Cc1cccc2cc(C(=O)N3CCCn4nc([C@H](O)CO)cc4C3)oc12 217004932 CVGUIPNCWQLKKW-MRXNPFEDSA-N 355.394 2.010 70 50 FEIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)Cc1cn(C)c3ccccc13)C2 217481550 WYOOSGIJTOOZMO-IBGZPJMESA-N 352.438 2.403 70 50 FEIA COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(C)oc(=O)c43)cc2c1 218030298 HSZKRBDVYWPHDI-GFCCVEGCSA-N 353.330 2.239 70 50 FEIA biogenic C[C@@H](c1ccncn1)N(C)C(=O)C1CCN(C(=O)Cc2ccccc2)CC1 218645290 COFPHCOTKNURSI-INIZCTEOSA-N 366.465 2.477 70 50 FEIA O=C(COc1ccc(Cl)cc1)NCc1csc(N2CCOCC2)n1 218765744 XMDVVHMBWGGWBN-UHFFFAOYSA-N 367.858 2.328 70 50 FEIA Nc1nccc(C2CCN(C(=O)[C@H]3CCCN(Cc4ccco4)C3)CC2)n1 217173855 HUDVTSULUGDSAO-INIZCTEOSA-N 369.469 2.270 70 50 FEIA c1cc(CN2CCCN3CCC[C@H]3C2)cc(OCCN2CCOCC2)c1 217106339 MWOUMVJHZMYYDA-FQEVSTJZSA-N 359.514 2.068 70 50 FEIA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1n[nH]c3ccccc13)C2 216915214 CZTYAYWHFQFNIY-GOSISDBHSA-N 353.426 2.178 70 50 FEIA O=S(=O)(F)Oc1ccc(CN2CCOc3cc(O)ccc3C2)cc1 1875387457 IXXVPCZZBKSINH-UHFFFAOYSA-N 353.371 2.380 70 50 FEIA O=C(CN1CCc2ccccc2C1)NCCc1noc(C2CCCC2)n1 217661688 RLOKEVLDDDBTIE-UHFFFAOYSA-N 354.454 2.444 70 50 FEIA Cc1ccc(C)c(C(=O)NC2CCN(C3CCS(=O)(=O)CC3)CC2)c1 218278983 MTFOLGQQLJPGGQ-UHFFFAOYSA-N 364.511 2.075 70 50 FEIA O=C(CNc1nc(Cl)nc2[nH]cnc12)NCCn1ccc2ccccc21 218601409 WSXFZSSILAWVPM-UHFFFAOYSA-N 369.816 2.189 70 50 FEIA O=C(CN1CCOc2ccccc2C1)NCCc1noc(C2CCCC2)n1 216971843 CPJHMTQBRWYUQZ-UHFFFAOYSA-N 370.453 2.281 70 50 FEIA O=C(NCCc1cn[nH]c1)c1ccccc1S(=O)(=O)Cc1ccccc1 217348028 JXUJRUQDTWHCMV-UHFFFAOYSA-N 369.446 2.356 70 50 FEIA O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1ccccn1 218407093 MEUMWLGUACYPGF-ZDUSSCGKSA-N 358.785 2.184 70 50 FEIA COc1ccc([C@@H](NC(=O)CCc2c(C)nn(C)c2C)C2CC(O)C2)cn1 218716186 JTHQFBLQRGNXKG-ALLBUHFWSA-N 372.469 2.002 70 50 FEIA Cc1nc(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)sc1C 160094625 HYIXSUHDKINLKW-OAHLLOKOSA-N 373.478 2.429 70 50 FEIA O[C@@H](c1ccccc1)c1cc2n(n1)CCN(Cc1nc(C3CC3)no1)C2 217655026 NPEZWFDUPYYZGR-SFHVURJKSA-N 351.410 2.241 70 50 FEIA CCc1c(C)nn(CC(=O)NC[C@@H]2CCCN(c3ccccn3)C2)c1C 218140489 GHZUIFGAPVWLPZ-KRWDZBQOSA-N 355.486 2.490 70 50 FEIA O=C(CCNC(=O)c1ccc(F)cc1)NCc1nnc(-c2ccccc2)o1 218493791 ZHCZIUYAJCXLAK-UHFFFAOYSA-N 368.368 2.312 70 50 FEIA Cc1c(CN2CCn3nc([C@H](O)CO)cc3C2)[nH]c2ccc(Cl)cc12 217177458 KCOZMMCOCPCSED-GOSISDBHSA-N 360.845 2.368 70 50 FEIA COCCNc1nc2cc(C(=O)NCc3csc(C)n3)ccc2n1C 217953380 BKTFUVSTQRAJKX-UHFFFAOYSA-N 359.455 2.327 70 50 FEIA Cc1cc(C[C@@H](C)NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n[nH]1 161133941 FREUNWSGGNUJOR-QAPCUYQASA-N 368.481 2.247 70 50 FEIA CCc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cc(=O)[nH]1 218138770 PNNSNFPGFGZCIS-MSOLQXFVSA-N 356.422 2.041 70 50 FEIA Cn1ccnc1[C@H](NC(=O)CCN1CCCCCC1=O)c1ccccc1 217362032 LKRUVLDUYVWEGO-LJQANCHMSA-N 354.454 2.418 70 50 FEIA CC(=O)N1CC(Nc2cnn(COc3ccc(F)cc3Cl)c2)=CC1=O 218494033 WKIQLPHNTFUSCF-UHFFFAOYSA-N 364.764 2.397 70 50 FEIA COc1cccc(C(=O)N2CCC(C(=O)NC[C@H]3CCCCO3)CC2)c1 216912771 ZTFRIIZLEJBXMO-GOSISDBHSA-N 360.454 2.233 70 50 FEIA CCc1n[nH]c(SCC(=O)N2CCC[C@H](OCc3ccccn3)C2)n1 218251542 PKEPTVFHUIZHGX-AWEZNQCLSA-N 361.471 2.062 70 50 FEIA COc1ccc([C@H](O)C(=O)N(C)Cc2cc(-c3ccccn3)no2)cc1 218080739 QBRAVCCGXWQGBC-SFHVURJKSA-N 353.378 2.437 70 50 FEIA O=C(CCc1nc2ccccc2[nH]1)NCCc1noc(C(F)(F)F)n1 217054876 QQWZFAGFOOYJFF-UHFFFAOYSA-N 353.304 2.256 70 50 FEIA O=C(CCCc1nc(-c2ccco2)no1)N[C@H](CO)Cc1ccccc1 218204803 PHMBCLYOWNIJOG-HNNXBMFYSA-N 355.394 2.372 70 50 FEIA O=C(N[C@@H]1CCOC[C@H]1OCCO)c1cc(C2CC2)nc2ccccc12 218290861 APPIDNFFFNFFBZ-IEBWSBKVSA-N 356.422 2.008 70 50 FEIA Cc1nc2sccn2c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 218356977 LRIJDTNWHGUYEY-HUUCEWRRSA-N 372.450 2.203 70 50 FEIA O=C(CCC(=O)c1ccccc1)NCc1csc(N2CCOCC2)n1 218519942 LLZRWFYHEFUPLZ-UHFFFAOYSA-N 359.451 2.259 70 50 FEIA CC(C)CN1C[C@@H](C(=O)NCCCCCc2nnc3ccccn23)CC1=O 218360578 GNAIOPUFKWSOCW-INIZCTEOSA-N 371.485 2.063 70 50 FEIA O=C(c1cnc2ccccc2c1O)N1CCn2c(nnc2C(F)(F)F)C1 218254225 XGVGGEHLTGQILU-UHFFFAOYSA-N 363.299 2.207 70 50 FEIA CS(=O)(=O)c1ccc(C2(C(=O)NC[C@@H]3CCCCO3)CCC2)cc1 218212732 CBYGGCWPMCLCHX-HNNXBMFYSA-N 351.468 2.197 70 50 FEIA Cn1nc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c2ccccc21 218576084 JAQCRGQWCKGGSZ-ZBFHGGJFSA-N 372.450 2.134 70 50 FEIA OCc1ccc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)o1 217173200 NKGLFHIRAPUFPC-HXUWFJFHSA-N 353.422 2.456 70 50 FEIA CC(=O)c1c(C)nn(CC(=O)NCc2ccc(-c3noc(C)n3)cc2)c1C 218312072 WCYTYMFRTLMTBA-UHFFFAOYSA-N 367.409 2.377 70 50 FEIA Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(Cc1cccc3cc[nH]c13)C2 218228442 SBGKIXWOZJEHCY-FQEVSTJZSA-N 362.437 2.195 70 50 FEIA Cc1nc(CCNC(=O)Cc2ccc3c(c2)OCO3)nc2c1CCCC2 218637942 JIEUETWNCNNDST-UHFFFAOYSA-N 353.422 2.294 70 50 FEIA CCc1nccn1CCCNC(=O)c1cn(C)c2ccc(C)cc2c1=O 218725042 AIHQNGONPQXAEJ-UHFFFAOYSA-N 352.438 2.426 70 50 FEIA Cc1ccc(Cc2nnc(NC(=O)N[C@@H]3CCc4ncnn4C3)s2)cc1 161146607 XFDLSVKRGUYTIU-CYBMUJFWSA-N 369.454 2.165 70 50 FEIA COC(=O)c1sc(NC(=O)c2cncc(OS(=O)(=O)F)c2)cc1C 1875385315 QUDSGCQWLUXOED-UHFFFAOYSA-N 374.371 2.084 70 50 FEIA O=C(CCCc1nc(-c2cccnc2)no1)N[C@H](CO)Cc1ccccc1 218179719 MBEJAZPHGWZYAK-KRWDZBQOSA-N 366.421 2.174 70 50 FEIA O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccc(-n2ccnc2)cc1 218092334 MMMAPMRVUMQRNW-OALUTQOASA-N 355.438 2.434 70 50 FEIA COCCn1c(CCNC(=O)c2n[nH]c3c2CCCC3)nc2ccccc21 218458274 IDUVRTFNZKOKLK-UHFFFAOYSA-N 367.453 2.257 70 50 FEIA O=C(CCc1nc2ccccc2[nH]1)N[C@H]1CCCN(c2cnccn2)C1 217615486 XWMMSGOXBHFKQV-AWEZNQCLSA-N 350.426 2.071 70 50 FEIA NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CC2CCCCC2)cc1 218670498 ZATCUIBPOBXXCP-QZTJIDSGSA-N 360.454 2.408 70 50 FEIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1cnn(C)c1)CC(=O)O2 218039862 CPHSONSZRCGIRL-NSHDSACASA-N 368.345 2.184 70 50 FEIA biogenic Cc1cc(O)cc(=O)n1CCC(=O)Nc1nc(-c2ccccn2)cs1 218351157 IVMOANLJPYSONK-UHFFFAOYSA-N 356.407 2.410 70 50 FEIA COC(=O)N1CCCC[C@H]1C(=O)N(C)CCc1nc2cc(F)ccc2[nH]1 218764850 DTKHTLNXXFSYFP-HNNXBMFYSA-N 362.405 2.324 70 50 FEIA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2 218692326 KOKYRDLNGIPGBJ-KRWDZBQOSA-N 362.861 2.064 70 50 FEIA COc1cc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)ccc1OC(C)C 217718362 RIFSZIHKLKLEFV-CYBMUJFWSA-N 361.394 2.457 70 50 FEIA biogenic COCCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc(C(F)(F)F)nc1)C2 216983071 FQWFKVMJRXKAQJ-KGLIPLIRSA-N 357.376 2.170 70 50 FEIA Cc1cc(C)nc(NCC(=O)NC2CCN(Cc3ccccc3)CC2)n1 218311673 LXFBBXAAFDKKLC-UHFFFAOYSA-N 353.470 2.286 70 50 FEIA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)N(C)Cc2c(C)nc3ccccn23)n1 218268364 XWOLYWGRHCHVGI-ZDUSSCGKSA-N 371.466 2.174 70 50 FEIA CCc1oc(C(=O)N2CCn3nc(CO)cc3C2)cc1CN(CC)CC 217044709 BRYNTELAKCFNER-UHFFFAOYSA-N 360.458 2.029 70 50 FEIA Cc1cc(Cl)ccc1OCC(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 218133254 KHQOYIKOVAUDQU-WOOZHMMNSA-N 363.845 2.389 70 50 FEIA Nc1nc(NCc2cnn(-c3ccc(F)cc3)c2)cc(C2CC(N)C2)n1 218340532 WRPFTZXXKMOQEW-UHFFFAOYSA-N 353.405 2.200 70 50 FEIA COC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2nc3ccccc3o2)CC1 218140306 LBWDDNNVKDFKGD-OAHLLOKOSA-N 372.425 2.097 70 50 FEIA COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OS(=O)(=O)F 1875368438 RFHKABTXKKAATN-FMIVXFBMSA-N 368.386 2.444 70 50 FEIA CN(CC1CCOCC1)C(=O)CCCn1nnc(-c2ccc(F)cc2)n1 217188725 SJROIYIZFGIOMT-UHFFFAOYSA-N 361.421 2.144 70 50 FEIA NC(=O)COc1ccc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1 217650191 SKEVMJAVLBZADR-CQSZACIVSA-N 365.341 2.098 70 50 FEIA biogenic Cc1cnn([C@@H]2CCN(C(=O)Nc3ccc(OS(=O)(=O)F)cc3)C2)c1 1875382467 CFPJRAQJLLXNDR-CYBMUJFWSA-N 368.390 2.264 70 50 FEIA Cc1ccc2oc(=O)n(CCC(=O)N3CCC[C@H](c4nc(C)n[nH]4)C3)c2c1 218719312 JWWBANZIFIABNZ-AWEZNQCLSA-N 369.425 2.126 70 50 FEIA COC(=O)CCNC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 218238469 AIWVXCXNTFMTNW-UHFFFAOYSA-N 374.347 2.234 70 50 FEIA N[C@H]1C[C@@H](c2cc(NCc3ccccc3CN3CCCC3=O)ncn2)C1 218562320 MKUJCXATZQPLOX-QAQDUYKDSA-N 351.454 2.416 70 50 FEIA COc1cc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc(OC)c1OC(C)=O 218100876 CRQSVSUJUYFNLG-GFCCVEGCSA-N 374.345 2.332 70 50 FEIA biogenic O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc(Cn2cccn2)o1 218094809 NEZVJNXETAHIBZ-QWQRMKEZSA-N 352.394 2.161 70 50 FEIA OCc1cc2n(n1)CCN(Cc1sc(N3CCCC3)nc1Cl)C2 217377342 AFOXSWNAYHPFPK-UHFFFAOYSA-N 353.879 2.101 70 50 FEIA CSc1ccccc1C(=O)NC1CCN(C(=O)N2CCOCC2)CC1 217915346 HXQGHWYRKBWCFI-UHFFFAOYSA-N 363.483 2.055 70 50 FEIA CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(CN2CCCC2)c(CC)o1 218294943 ZXLKKGTYQLAQEQ-CRAIPNDOSA-N 350.459 2.362 70 50 FEIA Cn1nccc1S(=O)(=O)Nc1cccc2cc(S(=O)(=O)F)ccc12 1875387908 DYRCAYUIEXGQJZ-UHFFFAOYSA-N 369.399 2.032 70 50 FEIA O=C(N[C@@H]1COCC[C@@H]1OCCO)c1cccc(Oc2ccccc2)c1 218583588 WESVRXYMUOBENN-MOPGFXCFSA-N 357.406 2.375 70 50 FEIA Cc1nnc(CN(C)C(=O)c2cnc(SCc3ccccc3)nc2O)o1 217510692 RJKZBYNMISAFKT-UHFFFAOYSA-N 371.422 2.438 70 50 FEIA COc1ccc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3)n(C)n2)cc1 218417186 VSXSRDBTTSHOOG-UHFFFAOYSA-N 350.378 2.447 70 50 FEIA CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 161009631 CQFUOFYOBKPJLB-WBVHZDCISA-N 359.470 2.181 70 50 FEIA CC[C@H](C)[C@H](C(=O)N[C@H](CO)CCSC)N1Cc2ccccc2C1=O 217600462 ORTSWYHOSRKNNC-JLJPHGGASA-N 364.511 2.287 70 50 FEIA biogenic CC(C)c1noc([C@H]2CCCN(C(=O)CN(C)Cc3ccccn3)C2)n1 218100045 OXBDSPVWDSDVEH-HNNXBMFYSA-N 357.458 2.426 70 50 FEIA Cc1cccc2[nH]c(COCC(=O)N[C@@H]3CCOC4(CCOCC4)C3)nc12 218389894 LSNKXALKKLYAEV-OAHLLOKOSA-N 373.453 2.232 70 50 FEIA COc1nc(C)cc(C)c1CNC(=O)[C@H](c1ccc2c(c1)OCO2)N(C)C 218544426 OLIZBHWRQHJMPO-SFHVURJKSA-N 371.437 2.355 70 50 FEIA O=C(c1ccccc1N1CCOCC1)N1CCC[C@H](Cn2ccnc2)C1 218680401 UHNUXSAVRFMKMJ-QGZVFWFLSA-N 354.454 2.272 70 50 FEIA Cc1cccc(=O)n1CCCNC(=O)CN1CC[C@@H](c2ccccc2)C1 217883364 AIKCEZRHBCBRPY-LJQANCHMSA-N 353.466 2.153 70 50 FEIA COc1nc(C)cc(C)c1CNC(=O)[C@@H](c1ccc2c(c1)OCO2)N(C)C 218544367 OLIZBHWRQHJMPO-GOSISDBHSA-N 371.437 2.355 70 50 FEIA CC1=C(C(=O)NCc2ccc(N3CCCC3=O)cc2)SC2=NCCN21 218747825 JSOGTQBWZNVGRD-UHFFFAOYSA-N 356.451 2.080 70 50 FEIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCc1nc2c(C)c(C)ccc2[nH]1 218694381 RZIORMCJFXXMHX-SMHQJORMSA-N 357.454 2.278 70 50 FEIA O=C(COC[C@@H]1CCCCO1)N1CCN(c2nc3ccccc3o2)CC1 217971861 TWGCTBLJYZPQCJ-HNNXBMFYSA-N 359.426 2.062 70 50 FEIA C[C@H](c1ccncc1)N1CCC(NC(=O)c2cnc3c(c2)ncn3C)CC1 160949984 TUVWKYLKQQNEEV-CQSZACIVSA-N 364.453 2.319 70 50 FEIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2C1=Cc2ccccc2OC1 217608353 ROPLKRNHFOTITI-ZDUSSCGKSA-N 367.357 2.420 70 50 FEIA biogenic Cc1nc2cc(CC(=O)N[C@@H](c3ccccn3)[C@H]3C[C@@H](O)C3)ccc2[nH]1 218756913 NVIKRSBHOOUIGF-STXHMFSFSA-N 350.422 2.437 70 50 FEIA COC(=O)C[C@@H](c1cccnc1)c1oc(CN2CCCCC2)cc(=O)c1O 217695666 JUJDHMUIOWAWKC-INIZCTEOSA-N 372.421 2.421 70 50 FEIA biogenic COc1cncc([C@H](NC(=O)c2ccc3c(c2)OCO3)[C@H]2C[C@@H](O)C2)c1 218168805 FHGVDAYRXCFFDV-RVZJWNSFSA-N 356.378 2.061 70 50 FEIA CC(=O)c1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)[nH]n1 218368573 SIRUEDHMWUPUDY-TYJKZOGGSA-N 364.405 2.403 70 50 FEIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cc2n[nH]c3ccccc23)cn1 218108446 QECCRONIPMEIPS-MJGOQNOKSA-N 366.421 2.162 70 50 FEIA CSCC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 218414856 YXDLWZRGULXFMT-QWRGUYRKSA-N 374.865 2.062 70 50 FEIA CC(=O)N[C@@H](C)Cc1c(C(=O)N2CCc3n[nH]cc3C2)[nH]c2ccccc12 217124824 FTLCDKFHKBFLID-LBPRGKRZSA-N 365.437 2.157 70 50 FEIA CC1(C)C[C@@](CCNC(=O)CN2CCOC2=O)(c2ccccc2)CCO1 218721970 GTQCFCCAHXNVEC-FQEVSTJZSA-N 360.454 2.472 70 50 FEIA CCn1cc(C(=O)NCc2noc(CC(C)C)n2)c(=O)c2ccc(C)nc21 218512834 QVDMAEGMKIWXHA-UHFFFAOYSA-N 369.425 2.236 70 50 FEIA CCCc1ncncc1C(=O)N[C@@H]1CCOC[C@@H]1Oc1ccc(C)nc1 218082498 MBODMMGTTLXWEJ-MSOLQXFVSA-N 356.426 2.099 70 50 FEIA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCO[C@H](Cn2cccn2)C1 217206442 FUOUYRAYQVYFEC-AWEZNQCLSA-N 357.439 2.266 70 50 FEIA CC(=O)N1CC(Nc2cccc(-c3n[nH]c(-c4ccccn4)n3)c2)=CC1=O 218605130 NGLNSONRXTULNF-UHFFFAOYSA-N 360.377 2.218 70 50 FEIA Nc1nc(CCC(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cs1 218336428 MQMLEMUVRCJRCA-LEHRNKBSSA-N 373.478 2.221 70 50 FEIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC(=O)N(Cc2ccco2)C1 217824888 MNDPSUHKETTYPN-LZLYRXPVSA-N 359.470 2.009 70 50 FEIA biogenic COCCn1c(CNCc2nc3ccccc3s2)nnc1[C@H]1C[C@@H](N)C1 218290548 RZFCQFRTWRPAOH-JOCQHMNTSA-N 372.498 2.029 70 50 FEIA CN1C(=O)C[C@H](CNC(=O)CC2=CSC3=NCCCN23)c2ccccc21 217478280 CZVBVBXFQDGBPT-CYBMUJFWSA-N 370.478 2.293 70 50 FEIA Cc1nc2n(n1)C[C@H](NC1CCN(C(=O)c3ccc(Cl)cc3)CC1)CC2 160505197 UAJUQKFMZYTVKV-QGZVFWFLSA-N 373.888 2.449 70 50 FEIA O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(CSc2ccccn2)cc1 218244923 OICUUQBAMPYGGU-HNNXBMFYSA-N 362.476 2.291 70 50 FEIA OC[C@H](O)c1cc2n(n1)CCN(Cc1ccccc1OC1CCCC1)C2 217435887 UNYRQEQMMSLIDJ-IBGZPJMESA-N 357.454 2.246 70 50 FEIA O=C(COCC(F)(F)C(F)F)N1CCCN(Cc2cccnc2)CC1 218531945 WKDVCPIRZIZGLG-UHFFFAOYSA-N 363.355 2.033 70 50 FEIA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H](O)c2ccccc2)C3)cn1 218192251 OXLLTOPKBDAQPG-GOSISDBHSA-N 364.405 2.099 70 50 FEIA CCO[C@H]1CN(C(=O)Cc2ccc3c(c2)c2ccccc2n3C)C[C@@H]1O 218372813 LRVPCAUFZIPHML-PMACEKPBSA-N 352.434 2.482 70 50 FEIA C[C@@H](CC(=O)Nc1ccc(OS(=O)(=O)F)cc1)NC(=O)C1CCCC1 1875387934 FZBZVLQKTWXPLI-NSHDSACASA-N 372.418 2.303 70 50 FEIA O=C(CCn1cnc2ccccc2c1=O)NCc1c[nH]nc1-c1ccccc1 218248692 KTBXHPIPOWKOGC-UHFFFAOYSA-N 373.416 2.493 70 50 FEIA Cc1cccc(N2CCN(CC(=O)N[C@H](C)Cc3cccnc3)CC2)c1 217943440 ASYVLEFJIJZEEW-GOSISDBHSA-N 352.482 2.259 70 50 FEIA Cc1ccccc1OC[C@@H](O)C(=O)N(C)Cc1ccccc1CN(C)C 218563188 PDOIEIXTOLMZSF-LJQANCHMSA-N 356.466 2.455 70 50 FEIA CC[C@@H](C)[C@@H](CO)NC(=O)CCn1c(C)nc2sc(C)c(C)c2c1=O 218150635 KZDYTONWOMNTCX-QMTHXVAHSA-N 365.499 2.297 70 50 FEIA O=C(NCCc1noc([C@@H]2CCCO2)n1)c1cc(-c2ccsc2)n[nH]1 217504527 SDDVKSVKQWGUBF-ZDUSSCGKSA-N 359.411 2.345 70 50 FEIA O=S(=O)(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1ccc(Cl)s1 218075974 WJMYTXXUKAACHL-GHMZBOCLSA-N 374.871 2.311 70 50 FEIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1cc(F)c(F)c(F)c1 218222990 KTNDJSQMSIGYTK-MRVPVSSYSA-N 367.279 2.410 70 50 FEIA O=C(N1CCC[C@@H](c2ccncn2)C1)C1(N2CCOCC2)CCCCC1 217180317 KCHDZBVOGKTZFU-QGZVFWFLSA-N 358.486 2.218 70 50 FEIA COC(=O)[C@@H](CCSC)NC(=O)Cn1cc(C(C)=O)c2ccccc21 216693539 KCDCVNMIRYUPFM-OAHLLOKOSA-N 362.451 2.255 70 50 FEIA COc1ccc([C@@H](NC(=O)c2cccc(NC(C)=O)c2)C2CC(O)C2)cn1 218732122 DCFVVUGHVYIHAW-GXOAENINSA-N 369.421 2.291 70 50 FEIA Cc1nc(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)sc1C 160094482 HYIXSUHDKINLKW-HNNXBMFYSA-N 373.478 2.429 70 50 FEIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCC[C@H]1CN1CCCC1 1875382272 WWHGKGPMLLIEGD-AWEZNQCLSA-N 371.434 2.372 70 50 FEIA Cc1cccc(OCC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)c1 218308211 LQTZXMSXRZMCHP-WOJBJXKFSA-N 371.433 2.219 70 50 FEIA CCN(CC)[C@H]1CCN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1 159749274 QQDFEEAZMKQSPU-GJZGRUSLSA-N 365.909 2.439 70 50 FEIA Cc1nnnn1CCC(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 218751564 SQKPMWOAHLWNLK-QGZVFWFLSA-N 356.817 2.326 70 50 FEIA Cc1oc2c(c1C(=O)NCc1nnnn1-c1ccccc1)C(=O)CCC2 218596093 UZUPAHKRMIZUGJ-UHFFFAOYSA-N 351.366 2.013 70 50 FEIA O=C([C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)N1CCc2n[nH]cc2C1 218248960 LQHFPZCUHKKQBW-LLVKDONJSA-N 365.359 2.235 70 50 FEIA O=C(NCCc1nccc(-c2ccccc2)n1)c1cc2c([nH]c1=O)CCC2 218153409 LKRDMROQSITUAP-UHFFFAOYSA-N 360.417 2.293 70 50 FEIA COC1(CNC(=O)Nc2ccnn2Cc2ccccc2F)CCOCC1 160328974 SZIGQWBOUGPZKK-UHFFFAOYSA-N 362.405 2.388 70 50 FEIA COc1ccc(C2(C(=O)NC3CCN(C[C@@H]4CCCO4)CC3)CC2)cc1 218570329 ZUMGSMLQTPJUPB-IBGZPJMESA-N 358.482 2.486 70 50 FEIA CCN1CCCN(C(=O)[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)CC1 218612073 XFNZVSUFIFJVFB-CQSZACIVSA-N 370.419 2.481 70 50 FEIA COc1cccc(-c2cc(C(=O)Nc3nnc(C(F)(F)F)[nH]3)[nH]n2)c1 160808246 MXKNVUOWDSNYKN-UHFFFAOYSA-N 352.276 2.475 70 50 FEIA Cc1nc(O)cc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)n1 218375156 POYBVHVWYXOXJV-FQEVSTJZSA-N 365.437 2.175 70 50 FEIA CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@H]3CC=C(C)C[C@H]3C2)cc1 218529937 QESBGVRYMAXLDO-SJORKVTESA-N 362.495 2.342 70 50 FEIA O=C(NCCc1nc(-c2cccnc2)no1)[C@@H]1CCc2ccccc2O1 218050707 LLJMOLHRLZHZMI-INIZCTEOSA-N 350.378 2.184 70 50 FEIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1cnn([C@H]2CC2(F)F)c1 1875384073 CGUXBXXJEHJKDO-NSHDSACASA-N 361.301 2.309 70 50 FEIA CN(Cc1nc2c(s1)CCCC2)C(=O)CSc1nnc(N)s1 217067856 MLRSCLNJNXYDAK-UHFFFAOYSA-N 355.514 2.206 70 50 FEIA O=C(COc1ccc(-n2cnnn2)cc1)N1CCCC[C@@H]1c1ccccn1 217155461 FIXXBOCYWPFXQU-GOSISDBHSA-N 364.409 2.190 70 50 FEIA COc1cc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)cc1OC 196246848 DLUVZOFWZNLGTJ-UHFFFAOYSA-N 358.410 2.477 70 50 FEIA in-vitro COc1ccc(-c2n[nH]cc2CNC(=O)COC[C@H]2CCCCO2)cc1 218573999 JKCPBHFSLYJTNH-QGZVFWFLSA-N 359.426 2.287 70 50 FEIA COCc1cccc(C(=O)N[C@@H]2COCC[C@@H]2Oc2ccc(F)cc2)n1 218227068 JPVWVJYQGTUEBV-MSOLQXFVSA-N 360.385 2.333 70 50 FEIA C[C@H](CC1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1)C(=O)O 2325893157 XPTAYTOICCTSIG-LLVKDONJSA-N 357.403 2.308 70 50 FEIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCO[C@H](C(F)(F)F)C1 1875382875 VEDXRTFIODZSOS-JTQLQIEISA-N 372.296 2.075 70 50 FEIA Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3N3CCOCC3)C2)no1 217176353 OZJCPJZQWBAUHY-OAHLLOKOSA-N 356.426 2.234 70 50 FEIA COC(=O)N1CCCC[C@@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 218727762 AKCBZMZHFYVXMT-QGZVFWFLSA-N 356.426 2.169 70 50 FEIA O=C(COCc1nc2ccccc2[nH]1)NCc1nc(-c2ccccc2)n[nH]1 217666099 FUBYLWYQHXPKGL-UHFFFAOYSA-N 362.393 2.181 70 50 FEIA CC(C)c1cc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)nc(N)n1 218633273 DWNOXNYKFFJZPF-SJORKVTESA-N 374.416 2.288 70 50 FEIA O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCOC[C@H]1Oc1ccccn1 218307355 BWRYFOQBRIFYPS-QZTJIDSGSA-N 351.406 2.458 70 50 FEIA C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(C(N)=O)oc1C(C)(C)C)C2 217006810 ZJWPNXXMNJYVSB-GFCCVEGCSA-N 360.458 2.332 70 50 FEIA NC(=O)COc1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1 217650104 SKEVMJAVLBZADR-AWEZNQCLSA-N 365.341 2.098 70 50 FEIA biogenic O=C(NCc1csc(N2CCOCC2)n1)c1cnc2ccccc2c1 218480747 SKIWINGLQOADIT-UHFFFAOYSA-N 354.435 2.458 70 50 FEIA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccccc1OCCN1CCOCC1)C2 217509101 JHOKITPHPUYLKU-XVAYZXCPSA-N 373.541 2.170 70 50 FEIA COC(=O)C[C@@H](c1cc2ccc(C)cc2[nH]c1=O)c1c(O)cc(C)oc1=O 218124320 JOVXVMCABRVTIF-ZDUSSCGKSA-N 369.373 2.499 70 50 FEIA biogenic COc1ccc2cc([C@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)n(C)c2c1 218002367 VPZBBHNUHVGZLL-CYBMUJFWSA-N 367.357 2.250 70 50 FEIA biogenic CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2Cc1c(F)cccc1Cl 216926673 PODCWVXXEDEAHN-KGLIPLIRSA-N 353.869 2.464 70 50 FEIA Cc1cc(C)cc(N2CCN(c3cc(C4CC(N)C4)nc(N)n3)CC2)c1 218651515 KCDZMIFJPDDSCE-UHFFFAOYSA-N 352.486 2.207 70 50 FEIA CCO[C@H]1CN(C(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)C[C@@H]1O 218449990 OFQDFRBDGLVILJ-YJBOKZPZSA-N 363.454 2.124 70 50 FEIA Cc1nc2ccccc2n1CCC(=O)NCCc1noc([C@H]2CCCO2)n1 217205097 NJYKSGMGYBXVCU-MRXNPFEDSA-N 369.425 2.328 70 50 FEIA O=C1[C@@H]2CC[C@@H](CN(C3CSCCSC3)C2)N1Cc1ccccn1 216936515 YGTPLDXTPDUTPI-ZBFHGGJFSA-N 363.552 2.353 70 50 FEIA Cc1csc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)c1 218313476 WUCQRLMRLYEMLN-HUUCEWRRSA-N 368.480 2.104 70 50 FEIA CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1ccccc1C(F)(F)F 218694055 APAZDPOOWQCSCH-CVEARBPZSA-N 374.403 2.100 70 50 FEIA COc1cccc(C(=O)N2CCC(C(=O)NC[C@@H]3CCCCO3)CC2)c1 216912746 ZTFRIIZLEJBXMO-SFHVURJKSA-N 360.454 2.233 70 50 FEIA Cc1ccc2[nH]c([C@@H](C)NC(=O)c3sccc3S(N)(=O)=O)nc2c1 217139099 RQCIMIOCXMEDKG-SECBINFHSA-N 364.452 2.071 70 50 FEIA Cc1cc(CN(C)C(=O)C2CCN(C(=O)Cc3ccccc3)CC2)on1 217200231 YECVAJSMLKBAFY-UHFFFAOYSA-N 355.438 2.423 70 50 FEIA CCc1nc(C)c(CC(=O)NCCCc2nc3ccccc3o2)c(=O)[nH]1 218308339 PEDIHABHVHAMBJ-UHFFFAOYSA-N 354.410 2.073 70 50 FEIA Cc1nc([C@H]2CCCN(C(=O)c3ccccc3N3CCOCC3)C2)no1 217176359 OZJCPJZQWBAUHY-HNNXBMFYSA-N 356.426 2.234 70 50 FEIA Cn1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC(F)(F)F)c3)C2)n1 218253463 OHWLQZUEOIXUJV-SNVBAGLBSA-N 368.315 2.310 70 50 FEIA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccc(N2CCCC2=O)cc1 218739779 GEBGXHVYNMOUMJ-MSOLQXFVSA-N 358.438 2.127 70 50 FEIA CC[C@@H](NC(=O)c1ccccc1N1CCOCC1)c1cn2cccnc2n1 217662881 SXXQJDZWEUJMBO-MRXNPFEDSA-N 365.437 2.447 70 50 FEIA O=C(c1csc(Cc2ccccc2)n1)N1CCn2nc(CO)cc2C1 217481875 AXXHFBPEHMBZRO-UHFFFAOYSA-N 354.435 2.079 70 50 FEIA O=C(C1CCOCC1)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1 218054579 LTCVAYLPQYWKCY-IBGZPJMESA-N 355.438 2.124 70 50 FEIA C[C@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1noc(C2CCCCC2)n1 159415638 XLHGKZBQVYIDRA-GFCCVEGCSA-N 369.487 2.479 70 50 FEIA Cc1cnc(C)c(N2CCN(C(=O)c3cc(CC(C)C)nc(C)n3)CC2)n1 218528411 VPWDPCPNSGWRLE-UHFFFAOYSA-N 368.485 2.353 70 50 FEIA COc1cn(CC(=O)N2CCc3c([nH]c4ccccc34)C2)c(C)cc1=O 217833310 HJYNRFXBXQGJHM-UHFFFAOYSA-N 351.406 2.232 70 50 FEIA biogenic CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)c3coc4ccccc34)C2)n1C 218165799 SAZLWQLPQRMYJZ-JOCQHMNTSA-N 353.426 2.299 70 50 FEIA Cc1nc2c(C(=O)N[C@H](Cc3ccccn3)[C@H]3C[C@@H](O)C3)cccc2[nH]1 218575569 DDHQMYWMWJVHSQ-DDUZABMNSA-N 350.422 2.378 70 50 FEIA O=C1C[C@H](NCc2ccc(OS(=O)(=O)F)cc2)CN1C1CCCCC1 2325891747 CYMVMTIJFVEKNN-AWEZNQCLSA-N 370.446 2.303 70 50 FEIA Cc1c(C(=O)N2CCn3nc([C@H](O)CO)cc3C2)sc2ccccc12 217210568 FKGYDONCZNHLCH-OAHLLOKOSA-N 357.435 2.088 70 50 FEIA CC(C)S(=O)(=O)CCCN1CCN(c2ncnc3sccc23)CC1 160661298 WMWLSJBFLNTBTQ-UHFFFAOYSA-N 368.528 2.027 70 50 FEIA CN(C)c1ccc(CCC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1 218232903 KWEGVYYHMODELI-FQEVSTJZSA-N 359.514 2.445 70 50 FEIA Cc1cccc(N2CCN(CCC(=O)NCCc3c(C)n[nH]c3C)CC2)c1 217189306 ZKBSSVVNPZAGQK-UHFFFAOYSA-N 369.513 2.206 70 50 FEIA CNC[C@@H]1CCCN1C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 161320941 LVCJYBNYTBRLNG-ZDUSSCGKSA-N 365.384 2.001 70 50 FEIA COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)c(F)c1F 216803285 VSTYIXQAQNZYJO-OLZOCXBDSA-N 364.392 2.446 70 50 FEIA CCc1cc(N2CCN(C(=O)[C@H]3Cc4cc(C)ccc4N3)CC2)ncn1 218281186 KVCLGTQPTSMYNA-GOSISDBHSA-N 351.454 2.033 70 50 FEIA COc1ccnc(CN2CCn3nc([C@H](O)c4ccccc4)cc3C2)c1 217143095 QCVSOLALGVQNET-HXUWFJFHSA-N 350.422 2.384 70 50 FEIA O=C(NCCc1nc(Cc2ccccc2)no1)[C@H](O)c1ccccc1F 218766717 RIRBATAFNCGPGT-GOSISDBHSA-N 355.369 2.192 70 50 FEIA CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ccccc2OC)C1 161009723 CQFUOFYOBKPJLB-DOTOQJQBSA-N 359.470 2.181 70 50 FEIA CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1cnc3ccccn13)CC2 160462513 QSLYWFSKOQWIBQ-UHFFFAOYSA-N 356.451 2.147 70 50 FEIA O=S(=O)(F)Oc1ccc(CN2CCN(c3cccc(O)c3)CC2)cc1 1875387435 IGVRLMICYNJUMY-UHFFFAOYSA-N 366.414 2.308 70 50 FEIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1cnn(C)c1)CC(=O)O2 218039934 CPHSONSZRCGIRL-LLVKDONJSA-N 368.345 2.184 70 50 FEIA biogenic CCCc1cc(CN(C)C(=O)CN2CCN(c3cccc(C)c3)CC2)n[nH]1 217803949 IARSCQFGMDDZBH-UHFFFAOYSA-N 369.513 2.451 70 50 FEIA Cc1ccc2oc(N3CCCn4nc([C@@H](O)CN(C)C)cc4C3)nc2c1 217993882 ORGYBHKVSCDPFH-KRWDZBQOSA-N 355.442 2.338 70 50 FEIA Cc1cc(C)n(CCCC(=O)NC[C@H]2CCCN(c3ncccn3)C2)n1 218202164 HAJZWLOHKCJDGE-QGZVFWFLSA-N 356.474 2.103 70 50 FEIA COc1ccc(-c2n[nH]cc2CNC(=O)COC[C@@H]2CCCCO2)cc1 218573907 JKCPBHFSLYJTNH-KRWDZBQOSA-N 359.426 2.287 70 50 FEIA CCN1CCN(Cc2nc(C(C)C)nn2Cc2ccc3c(c2)OCO3)CC1 217575448 NRNIHGRFKISSAJ-UHFFFAOYSA-N 371.485 2.316 70 50 FEIA Cc1cccc2[nH]c(COCC(=O)NC[C@@H]3COc4ccccc4O3)nc12 217818753 XRRXYAAYXNGFHT-CQSZACIVSA-N 367.405 2.344 70 50 FEIA CC[C@@H](O)c1cc2n(n1)CCCN(CCn1c(=O)oc3ccccc31)C2 216926982 RAXUTHQXMQRYDC-QGZVFWFLSA-N 356.426 2.140 70 50 FEIA O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 218712024 UXCCZXRVKJMPJG-QZTJIDSGSA-N 362.376 2.393 70 50 FEIA COc1ccccc1-c1n[nH]cc1C(=O)N[C@H](CO)Cc1ccccc1 218187655 IGQXGRGERJUREV-HNNXBMFYSA-N 351.406 2.419 70 50 FEIA CCc1nc(C)ccc1OCC(=O)N1CCOc2ccc(CO)cc2C1 217904917 FHSQJQORIOZSAY-UHFFFAOYSA-N 356.422 2.245 70 50 FEIA O=C(C[C@H]1C=CS(=O)(=O)C1)NCCCc1nc2cc(Cl)ccc2[nH]1 218336727 HQYAUZWBONAVPJ-LLVKDONJSA-N 367.858 2.214 70 50 FEIA CN(Cc1cccc(-n2cccn2)c1)C(=O)CSc1nnc(N)s1 217088516 ATGXZWGRLBSWOE-UHFFFAOYSA-N 360.468 2.057 70 50 FEIA Cn1cnc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cnc21 159843020 LOMFPZDBXOZRNR-VMPITWQZSA-N 361.449 2.440 70 50 FEIA Cc1cc(C)n(CCCNC(=O)c2cn3c4c(cccc4c2=O)CC3)n1 217632229 VVZHXKJKLMBORF-UHFFFAOYSA-N 350.422 2.191 70 50 FEIA C[C@H](c1ccncn1)N(C)C(=O)C1CCN(C(=O)Cc2ccccc2)CC1 218645374 COFPHCOTKNURSI-MRXNPFEDSA-N 366.465 2.477 70 50 FEIA CC(=O)c1ccc2c(c1O)[C@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)O2 217688892 FKZXFSGHKCPIDO-ZDUSSCGKSA-N 366.373 2.226 70 50 FEIA biogenic CN(C)[C@H](C(=O)N1CCC(c2ccnc(N)n2)CC1)c1ccc(F)cc1 217494682 KZJOLRRTAFWXLQ-KRWDZBQOSA-N 357.433 2.207 70 50 FEIA COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)CC2 160719260 RNQOJHZQRNSMBU-CVEARBPZSA-N 373.432 2.425 70 50 FEIA CC(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 160920264 LBIVOQBAFWODLE-AEFFLSMTSA-N 364.461 2.130 70 50 FEIA CN1CCN(C)[C@@H](CC(=O)N(CCCO)Cc2cccc3ccccc23)C1 216924492 RMNCOQLCOFNWRR-FQEVSTJZSA-N 369.509 2.187 70 50 FEIA COc1cc(C2(C(=O)NS(=O)(=O)c3c(C)noc3C)CC2)ccc1C 160932750 VCHZJNDXFHYFGG-UHFFFAOYSA-N 364.423 2.145 70 50 FEIA O=S(=O)(F)Oc1ccc(CN2CCC(O[C@@H]3CCOC3)CC2)cc1 1875387744 VQIURSXSJIMNPV-MRXNPFEDSA-N 359.419 2.050 70 50 FEIA COc1ccnc(N2CCN(C(=O)c3ccc(N4CCCC4)cc3)CC2)n1 217148169 DKRNLNKNEMAVSY-UHFFFAOYSA-N 367.453 2.048 70 50 FEIA COc1cc(C(=O)N2CCn3nc([C@@H](C)O)cc3C2)c2ccccc2n1 217179614 RSUYZNYPNVQHHV-GFCCVEGCSA-N 352.394 2.149 70 50 FEIA Nc1nc(C2CC(N)C2)cc(N2CCCN(Cc3cccc(F)c3)CC2)n1 217995355 QWANDZAZCLIUOT-UHFFFAOYSA-N 370.476 2.115 70 50 FEIA C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 160204328 IEFVQHKUTOYPCD-KCXAZCMYSA-N 354.447 2.495 70 50 FEIA C[C@@H](C(=O)NC[C@@H]1CCCN2CCCC[C@H]12)n1cnc2ccccc2c1=O 217861931 ZUGYYDCHVLFMDE-TXPKVOOTSA-N 368.481 2.338 70 50 FEIA biogenic CC(=O)c1c(C)nn(CC(=O)N[C@H](c2ccccc2)c2nccn2C)c1C 218090641 RKKNVZHSNCXYHK-LJQANCHMSA-N 365.437 2.342 70 50 FEIA C[C@H](O)c1cc2n(n1)CCN(S(=O)(=O)Cc1cc(F)ccc1Cl)C2 217729588 HJXIQZYDEXXEED-JTQLQIEISA-N 373.837 2.075 70 50 FEIA CC(C)Cc1cc(C(=O)N2CCN(c3ccccc3)C(=O)[C@@H]2C)nc(N)n1 218244040 OHBODMXAXBBGDC-AWEZNQCLSA-N 367.453 2.135 70 50 FEIA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCCc1nc2cc(Cl)ccc2[nH]1 218336647 HQYAUZWBONAVPJ-NSHDSACASA-N 367.858 2.214 70 50 FEIA CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2csc(C)n2)cc1 216945197 CFVRVXAVAIOJHT-NSHDSACASA-N 367.496 2.170 70 50 FEIA Cc1c(CC(=O)N[C@H](CO)c2ccccc2)c(=O)oc2cc(O)ccc12 217781066 FKMFEMGFODOSGE-QGZVFWFLSA-N 353.374 2.199 70 50 FEIA biogenic COc1cc2c(cc1OC)CN(C(=O)CNc1nc(C)cc(C)n1)CC2 218334412 DSBUHEYGTSOFJQ-UHFFFAOYSA-N 356.426 2.107 70 50 FEIA C[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(N3CCCC3=O)cc1)C2 216999919 BCLYSZVWSQBKBG-HNNXBMFYSA-N 354.454 2.469 70 50 FEIA O=C(Cc1nc2ccccc2[nH]1)N[C@@H]1COCC[C@@H]1OCc1cscn1 218035138 JORUYZSEVVNZGJ-CVEARBPZSA-N 372.450 2.052 70 50 FEIA Cc1cncnc1C1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CC1 218404086 DSTVGJDSMQYWFV-UHFFFAOYSA-N 373.478 2.137 70 50 FEIA Cc1cccc(Cl)c1OCCN1CCCn2nc([C@H](O)CO)cc2C1 217214492 FKEZECVGEBMCKM-QGZVFWFLSA-N 365.861 2.155 70 50 FEIA O=C(CNC(=O)c1ccccc1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 218507252 ARTOTMPUFCOVEC-YHELAOLJSA-N 364.445 2.179 70 50 FEIA O=C1CC[C@@H]2CN(Cc3cccnc3)CC[C@@H]2N1CCCn1ccnc1 217091559 FSEVOQIPIXTRJF-MOPGFXCFSA-N 353.470 2.181 70 50 FEIA CC(=O)c1c(C)nn(CC(=O)N2CCN(C)[C@H](c3ccccc3)C2)c1C 217635574 ZIENVXZRTFLPIM-SFHVURJKSA-N 354.454 2.218 70 50 FEIA OC[C@@H](O)c1cc2n(n1)CCN(Cc1cccc(OC3CCCC3)c1)C2 218536992 LGOSUKZPFFMPDU-HXUWFJFHSA-N 357.454 2.246 70 50 FEIA O=C(c1cccs1)N1CCCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1 159956369 VTLOWKRBZJUMBT-QGZVFWFLSA-N 369.490 2.137 70 50 FEIA CCN(C)c1ccnc(N2CCC[C@@H](c3nccn3CCCN(C)C)C2)n1 217566962 NAKRACRBSHIRIH-QGZVFWFLSA-N 371.533 2.465 70 50 FEIA Cc1ccccc1N1CCCN(C(=O)CSc2nnc(N)s2)CC1 217200879 DTJBKSYDDDXGDV-UHFFFAOYSA-N 363.512 2.260 70 50 FEIA O=C(c1cnc2ccccc2c1O)N1CCN(CCc2ccncc2)CC1 218390597 ASHWXUWEIZDQBY-UHFFFAOYSA-N 362.433 2.336 70 50 FEIA Nc1nccc(C2CCN(C(=O)[C@@H]3CCCN(Cc4ccco4)C3)CC2)n1 217173848 HUDVTSULUGDSAO-MRXNPFEDSA-N 369.469 2.270 70 50 FEIA COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)Nc3ccccn3)CS[C@@H]21 218501219 OROYPYXXFMWALT-ZMZPIMSZSA-N 371.418 2.307 70 50 FEIA Cc1nnc(SCC(=O)N[C@H](C)c2nc(-c3ccncc3)no2)s1 218646910 SYUJSSDRKOWQOF-MRVPVSSYSA-N 362.440 2.261 70 50 FEIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1cnn([C@@H]2CC2(F)F)c1 1875384071 CGUXBXXJEHJKDO-LLVKDONJSA-N 361.301 2.309 70 50 FEIA CCc1cc(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)cs1 218169635 QQVAWNQSWHGBAL-CFVMTHIKSA-N 372.494 2.348 70 50 FEIA O=C(CCN1Cc2ccccc2C1=O)NC[C@@H]1CCCN2CCCC[C@H]12 217722630 HJNYMOMIINEGJR-QFBILLFUSA-N 355.482 2.413 70 50 FEIA biogenic CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)on1 218209228 NYOLQQKNHNNLAC-CRAIPNDOSA-N 360.410 2.257 70 50 FEIA OC[C@@H](O)c1cc2n(n1)CCCN(Cc1c[nH]nc1C1CCCCC1)C2 217877007 XXPRUNDWOMLHIW-GOSISDBHSA-N 359.474 2.086 70 50 FEIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)Cc1cn(C)c3ccccc13)C2 217481482 WYOOSGIJTOOZMO-LJQANCHMSA-N 352.438 2.403 70 50 FEIA Cn1ccnc1CNC(=O)c1ccccc1S(=O)(=O)Cc1ccccc1 217174636 SFXNPUKYBKSXII-UHFFFAOYSA-N 369.446 2.324 70 50 FEIA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccc2[nH]cnc2c1 217725708 CONKBPOEXRJWAO-DZKIICNBSA-N 359.455 2.227 70 50 FEIA biogenic CCc1n[nH]c(SCC(=O)N2CCC[C@@H](OCc3ccccn3)C2)n1 218251501 PKEPTVFHUIZHGX-CQSZACIVSA-N 361.471 2.062 70 50 FEIA CN(Cc1c[nH]nc1-c1ccc(F)cc1)c1cc(C2CC(N)C2)nc(N)n1 218638825 WHCXIHQHLFJBOO-UHFFFAOYSA-N 367.432 2.429 70 50 FEIA Cc1c(C(=O)NCCc2nc3ccccc3n2C)sc2nc[nH]c(=O)c12 218490931 OUQKUCFVEZMRHM-UHFFFAOYSA-N 367.434 2.152 70 50 FEIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cccc(Oc3ncccn3)c2)o1 218161376 JUAVWVLVNBFKNW-CQSZACIVSA-N 367.361 2.243 70 50 FEIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2ccc3nccn3c2)cn1 218395658 HDTCLUQHLTZVNF-SJORKVTESA-N 352.394 2.004 70 50 FEIA O=C(NCc1cnn2cccnc12)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 218395376 YGPJNIGBNYLVHA-GFCCVEGCSA-N 369.812 2.052 70 50 FEIA C[C@@H](NC(=O)c1ccccc1N1CCOCC1)c1cn2ncsc2n1 218159339 MPIAEZNRCJXWHB-GFCCVEGCSA-N 357.439 2.118 70 50 FEIA CCS(=O)(=O)CCN(C)C(=O)NCc1nc(-c2ccccc2)cs1 160132200 LCXWFMCDADYZET-UHFFFAOYSA-N 367.496 2.386 70 50 FEIA Cc1nc2cc(CC(=O)N3CCCn4nc([C@@H](C)O)cc4C3)ccc2[nH]1 217182273 NTSLOYKTYZHERM-GFCCVEGCSA-N 353.426 2.096 70 50 FEIA CCN(CC)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1 159749128 QQDFEEAZMKQSPU-LSDHHAIUSA-N 365.909 2.439 70 50 FEIA O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1ccc2nccn2c1 218013746 XVRBREGUNXCCKA-SJORKVTESA-N 355.369 2.440 70 50 FEIA CCc1nnsc1C(=O)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 217198854 VFBLVIIYUOSTEN-INIZCTEOSA-N 369.450 2.035 70 50 FEIA OCCn1nccc1C1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 160562096 LABJDWNPBKWDDL-SFHVURJKSA-N 351.397 2.067 70 50 FEIA O=C(CCNC(=O)c1ccccc1F)NCC[C@H]1COc2ccccc2O1 217158583 HNZNRUZMIIAWCW-AWEZNQCLSA-N 372.396 2.292 70 50 FEIA CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)on1 218433066 NPTQBQBKAZCKMK-IUODEOHRSA-N 351.428 2.359 70 50 FEIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1ccnn1C)CC(=O)O2 218006232 BMDUXGFWHMVTCN-SNVBAGLBSA-N 368.345 2.184 70 50 FEIA biogenic Cc1ccccc1OC[C@H](O)C(=O)N(C)Cc1ccccc1CN(C)C 218563263 PDOIEIXTOLMZSF-IBGZPJMESA-N 356.466 2.455 70 50 FEIA Cc1cccc2[nH]c(COCC(=O)NC[C@H]3COc4ccccc4O3)nc12 217818843 XRRXYAAYXNGFHT-AWEZNQCLSA-N 367.405 2.344 70 50 FEIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCc2c[nH]cn2)n1 218402319 XZZRUJSOGDHHEH-SFHVURJKSA-N 364.453 2.199 70 50 FEIA COc1cccc2c1ccn2CCNC(=O)CNc1nc(C)cc(C)n1 218337430 YMEDXJNSSTXAEX-UHFFFAOYSA-N 353.426 2.285 70 50 FEIA O=C(NCc1ccc(F)cc1)N[C@@H]1COCC[C@H]1OCc1ccccn1 218744320 HVEBYCPDXALFBF-QZTJIDSGSA-N 359.401 2.394 70 50 FEIA O=C(OCc1ccccc1)N1CCC[C@H]2CN(S(=O)(=O)Cl)C[C@H]21 1772715749 IHCMIGIDIGRLDI-UONOGXRCSA-N 358.847 2.203 70 50 FEIA CC(C)c1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)nc(N)n1 217043089 OVEMRVMECDOGIL-UHFFFAOYSA-N 369.469 2.019 70 50 FEIA COc1ccc2cc([C@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)[nH]c2c1 218117199 USKMARSMBDFZLD-GFCCVEGCSA-N 353.330 2.239 70 50 FEIA biogenic O=C(Nc1cncc(OS(=O)(=O)F)c1)c1ccc(OCC2CC2)nc1 1875387328 CBXYKTDNORVVQS-UHFFFAOYSA-N 367.358 2.111 70 50 FEIA Cc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)c(C)s1 218735554 GQONMDKRNFKSMW-ZIAGYGMSSA-N 368.480 2.275 70 50 FEIA C[C@@H](O)c1cc2n(n1)CCCN(c1ncccc1C(=O)c1nccs1)C2 216994854 TWXLBYYPMJVCNP-GFCCVEGCSA-N 369.450 2.429 70 50 FEIA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(C(N)=O)cc1 217675080 APQCPOASMHBEIP-AWEZNQCLSA-N 370.361 2.043 70 50 FEIA biogenic O=C(c1ccccc1N1CCOCC1)N1CCC[C@@H](Cn2ccnc2)C1 218680337 UHNUXSAVRFMKMJ-KRWDZBQOSA-N 354.454 2.272 70 50 FEIA CCc1ncsc1C(=O)NS(=O)(=O)c1ccc(OC)c(C)c1C 160910595 IAHAGWQKYZLLNX-UHFFFAOYSA-N 354.453 2.450 70 50 FEIA Cc1cc(C)n2c(C(=O)N(C)Cc3ccc(-n4cccn4)cc3)nnc2n1 217216575 NPSHMCFAZXSRPX-UHFFFAOYSA-N 361.409 2.199 70 50 FEIA COc1cccc(CC(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)c1 218251620 IIVXTDWIPDUHCL-RTBURBONSA-N 374.437 2.333 70 50 FEIA C[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(N3CCCC3=O)cc1)C2 216999910 BCLYSZVWSQBKBG-OAHLLOKOSA-N 354.454 2.469 70 50 FEIA Cn1cnc2cc(C(=O)N[C@@H]3COCC[C@@H]3OCc3cscn3)ccc21 218302168 TXBCWBSQLMTOAB-WBVHZDCISA-N 372.450 2.134 70 50 FEIA COC(=O)C[C@H](c1cccnc1)c1oc(CN2CCCCC2)cc(=O)c1O 217695586 JUJDHMUIOWAWKC-MRXNPFEDSA-N 372.421 2.421 70 50 FEIA biogenic CC1(C)C[C@@H](NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2ccccc2O1 159910498 AZIRNVJCEMPPSI-OAHLLOKOSA-N 365.389 2.249 70 50 FEIA CCN1CCCN(C(=O)[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)CC1 218612158 XFNZVSUFIFJVFB-AWEZNQCLSA-N 370.419 2.481 70 50 FEIA COC(=O)c1ccccc1Nc1c(NCc2ccc(OC)cc2)c(=O)c1=O 218332225 RHLLWYKJNGLIRG-UHFFFAOYSA-N 366.373 2.434 70 50 FEIA Cn1nccc1[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)F)c1 1338068756 PWCOPFOVSKKJOO-HNNXBMFYSA-N 351.403 2.446 70 50 FEIA CC(=O)NCCCC(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C 218026359 GJKZZXVBXBNLJF-UHFFFAOYSA-N 356.348 2.125 70 50 FEIA CN1CCN(C)[C@@H](CNc2cc(-c3ccccc3F)nc3ccnn23)C1 216846078 FGLZCJVOPQXNSW-AWEZNQCLSA-N 354.433 2.193 70 50 FEIA CCN(CC)Cc1cc(C(=O)N2CCCn3nc(CO)cc3C2)c(C)o1 217970452 XIYOXEURDPZKDK-UHFFFAOYSA-N 360.458 2.165 70 50 FEIA O=C(Cn1cnc2ccsc2c1=O)N1CCO[C@@H](c2ccccc2)C1 218394783 QHVDFJCJAOSDLT-OAHLLOKOSA-N 355.419 2.058 70 50 FEIA COC(=O)CC1CCN(C(=O)c2cnc3c(OC)cccc3c2O)CC1 218369162 PZWANZNKDROIQO-UHFFFAOYSA-N 358.394 2.364 70 50 FEIA O=C(NCC1(N2CCCCC2)CCOCC1)[C@H]1OCCc2ccccc21 159722921 KKSWXYYVUBBPEF-IBGZPJMESA-N 358.482 2.452 70 50 FEIA COc1ccc(N2C[C@@H](NC(=O)c3csc(SC)n3)CC2=O)cc1 218196574 DYKYFAIWSDZYPV-JTQLQIEISA-N 363.464 2.409 70 50 FEIA COCCNc1nc2cc(C(=O)NCCc3cccc(C)n3)ccc2n1C 217482411 WAARVOQRDVMRDG-UHFFFAOYSA-N 367.453 2.308 70 50 FEIA Cc1c(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cnn1C1CCOCC1 161428801 URRDJRGVFKTZOE-INIZCTEOSA-N 359.430 2.171 70 50 FEIA Cn1c(=O)n(C)c2cc([C@H]3CC(=O)Oc4cc5c(cc43)OCO5)ccc21 218285207 IIVHZLWMUNABTQ-LLVKDONJSA-N 352.346 2.047 70 50 FEIA COc1cncc([C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@H]2C[C@@H](O)C2)c1 218168718 FHGVDAYRXCFFDV-YEWDVWPNSA-N 356.378 2.061 70 50 FEIA COc1cn(CC(=O)Nc2n[nH]c(CCC3CCCC3)n2)c(C)cc1=O 218413731 USOZBQHNUOTFBO-UHFFFAOYSA-N 359.430 2.045 70 50 FEIA O=C(Nc1ccn(CC(F)(F)F)n1)NC1CCN(c2ncccn2)CC1 160648800 AASLASVAELYLIY-UHFFFAOYSA-N 369.351 2.026 70 50 FEIA Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccccc3N3CCOCC3)C2)n1 218596801 XPTBWRMHAFUMPU-QGZVFWFLSA-N 354.454 2.424 70 50 FEIA CSc1ncc(C(=O)N[C@@H](CCn2cncn2)c2ccccc2)cn1 218168097 XACNWJHEDVHUOD-HNNXBMFYSA-N 354.439 2.351 70 50 FEIA O=C(N[C@H](CO)Cc1ccccc1)c1cc(-n2cnnc2)ccc1Cl 218276666 ZSWPJDHSXMMPOK-AWEZNQCLSA-N 356.813 2.254 70 50 FEIA O=C(CCC(=O)N1CCCCCC1)NCc1nc(-c2ccccc2)n[nH]1 217758549 OSEZTMBNFJGVSF-UHFFFAOYSA-N 355.442 2.271 70 50 FEIA O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1COC[C@@H]1N1CCOCC1 218043422 KZNJVQNITFWAJH-SFTDATJTSA-N 366.461 2.112 70 50 FEIA CCCn1ncc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c1C 218252483 DCIHVOVWXVEUPI-HZPDHXFCSA-N 364.471 2.162 70 50 FEIA N[C@H]1CC[C@@H](C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 216968479 LAVKMDIQIGFITM-ZBFHGGJFSA-N 355.404 2.477 70 50 FEIA Cc1ccc(-c2ccccc2CN2CCn3nc([C@H](O)CO)cc3C2)o1 218047577 IZADFZGUMMHEJZ-LJQANCHMSA-N 353.422 2.493 70 50 FEIA COc1ccc([C@H](CC(N)=O)c2c(Cc3ccccc3)[nH][nH]c2=O)cc1 218311159 BEYKLGVGILYIFF-INIZCTEOSA-N 351.406 2.310 70 50 FEIA COc1cccc(-c2cccc(C(=O)N3C[C@H](N(C)C)C[C@H]3CO)c2)c1 218187168 FMUCMKANUOQJSF-MOPGFXCFSA-N 354.450 2.499 70 50 FEIA COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)cc(C)oc1=O 218093400 UCRRAGMQJKQUQW-NSHDSACASA-N 364.350 2.072 70 50 FEIA biogenic COc1ccc(-n2ncc(C(=O)N3CCOCC3)c2-n2cccc2)cc1 218291166 ADBUQNPGAJBBKP-UHFFFAOYSA-N 352.394 2.144 70 50 FEIA CSCC[C@@H](O)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 218456689 BJXWUKDVMWHJFB-MRXNPFEDSA-N 350.484 2.043 70 50 FEIA O=C(CCN1Cc2ccccc2C1=O)N1CCC[C@@H](c2ccncn2)C1 217346268 UFPZSCRKVUUVTM-MRXNPFEDSA-N 350.422 2.229 70 50 FEIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1cc(F)c(F)c(F)c1 218223069 KTNDJSQMSIGYTK-QMMMGPOBSA-N 367.279 2.410 70 50 FEIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cc2ccc3c(c2)OCO3)cn1 218079370 OJJNAWBQNZXLHF-APWZRJJASA-N 370.405 2.014 70 50 FEIA Cn1ccnc1CN1CCN(C(=O)CCCC(=O)c2ccccc2)CC1 217183266 XLLIRGRMUXPRII-UHFFFAOYSA-N 354.454 2.118 70 50 FEIA CCOc1cc(Br)c(CC(=O)N2CC[C@@H](N)C2)cc1OCC 160202431 NKNKMEIGUTZTEE-GFCCVEGCSA-N 371.275 2.349 70 50 FEIA COC(=O)C[C@H](c1c(O)cc(C)oc1=O)c1cc2ccccc2n(C)c1=O 218074558 CUGFBYAMFAZIEE-ZDUSSCGKSA-N 369.373 2.201 70 50 FEIA biogenic Cn1cccc1C(=O)C(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 218383097 FGJZSODCOHHKHA-AWEZNQCLSA-N 365.393 2.059 70 50 FEIA CCn1c(CNC2(c3ccccc3)CCOCC2)nnc1[C@H]1C[C@@H](N)C1 218456582 HXMCCQDVPZAQBE-JCNLHEQBSA-N 355.486 2.298 70 50 FEIA CCc1nnsc1C(=O)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 217198863 VFBLVIIYUOSTEN-MRXNPFEDSA-N 369.450 2.035 70 50 FEIA Cn1nc(C(=O)NCc2nnc3n2CCCCC3)cc1-c1cccs1 218467564 JGMJBNGXBVVOKS-UHFFFAOYSA-N 356.455 2.397 70 50 FEIA Cn1cnc2ccc(NC(=O)CC3(n4cccc4)CCOCC3)cc2c1=O 218240702 MZWLDKAUWFNGQC-UHFFFAOYSA-N 366.421 2.270 70 50 FEIA CCc1ccc(S(=O)(=O)NC[C@@H](O)COc2ccc(F)cc2)cc1 159972000 HMAVKICDXSRCMM-OAHLLOKOSA-N 353.415 2.106 70 50 FEIA O=C(CCCc1ccc(F)cc1)N1CCCO[C@H](CN2CCOCC2)C1 217878364 VJXUXUNFFLQGMX-LJQANCHMSA-N 364.461 2.098 70 50 FEIA O=C(CCc1nc2ccccc2[nH]1)N1CCCN(c2ncccn2)CC1 218203912 MGNPQMKPOQCEBS-UHFFFAOYSA-N 350.426 2.024 70 50 FEIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)Cc1cccc(F)c1 218505558 BYUXHKKFYGENIL-QZTJIDSGSA-N 362.401 2.464 70 50 FEIA CC(C)c1nnc([C@H](C)NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)o1 218034217 SAEZPLSIALFXRF-ZDUSSCGKSA-N 372.425 2.156 70 50 FEIA Cc1ccc(N(CC(=O)NCCc2ccc(C)o2)S(C)(=O)=O)cc1 218060042 NNJJHBGKMNOGKC-UHFFFAOYSA-N 350.440 2.021 70 50 FEIA COc1ccc(NC(=O)c2c(C)cc(C)n(C[C@H]3CCCO3)c2=O)cn1 218609375 IRVNWSAEBGCBAF-OAHLLOKOSA-N 357.410 2.300 70 50 FEIA COC(=O)C[C@@H](c1c(O)cc(C)oc1=O)c1cc2ccccc2n(C)c1=O 218074641 CUGFBYAMFAZIEE-CYBMUJFWSA-N 369.373 2.201 70 50 FEIA biogenic O=C(NCCc1cn[nH]c1)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 218770850 KCKHBYLDSHHMIP-LBPRGKRZSA-N 353.348 2.009 70 50 FEIA CC(=O)Nc1cccc(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)c1 1350556118 UGWSZSYEMWOMCS-UHFFFAOYSA-N 364.398 2.162 70 50 FEIA O=C(CCCc1ccc(F)cc1)N1CCCO[C@@H](CN2CCOCC2)C1 217878305 VJXUXUNFFLQGMX-IBGZPJMESA-N 364.461 2.098 70 50 FEIA CC1(C)C[C@H](NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2ccccc2O1 159910367 AZIRNVJCEMPPSI-HNNXBMFYSA-N 365.389 2.249 70 50 FEIA CC(=O)N1CSC[C@@H]1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 160909124 FORRGUYOLRGJRR-MRXNPFEDSA-N 358.467 2.190 70 50 FEIA COc1ccc2nnc(CCC(=O)N3CCCC[C@H]3c3cccnc3)n2n1 218113010 SHDVYONGWIWOJG-HNNXBMFYSA-N 366.425 2.214 70 50 FEIA biogenic CCN1Cc2ccccc2C[C@@H]1C(=O)NCCCc1nnc2ccccn12 218244600 ZYAZKGLTAWIEOG-GOSISDBHSA-N 363.465 2.225 70 50 FEIA Cc1cc(C(=O)N2CCCn3nc(CO)cc3C2)c2ccc(F)cc2n1 217457477 YUTNBZBHBLZDGJ-UHFFFAOYSA-N 354.385 2.417 70 50 FEIA COC(=O)[C@H](CNC(=O)[C@@H](N)CCSC)Cc1ccc2ccccc2c1 160055540 ZXSTWYJTIOYPDT-ROUUACIJSA-N 374.506 2.368 70 50 FEIA CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)NCc3cccnc3)C2=O)cc1 218503300 FDJWNAPJLWXOFC-KRWDZBQOSA-N 366.421 2.336 70 50 FEIA CCc1nc(CNC(=O)c2ccccc2N2CCC(=O)NC2=O)cs1 217564960 BXEHZZZNXKCPEG-UHFFFAOYSA-N 358.423 2.082 70 50 FEIA O=C(CCN1CCCCCC1=O)NCCc1noc(-c2ccccc2)n1 217033731 BDEUALNMNXCHTC-UHFFFAOYSA-N 356.426 2.188 70 50 FEIA CCc1ccc(CN2CCN(S(=O)(=O)c3cnn(CC)c3)CC2)s1 159582885 COWSPWVZTHCYNC-UHFFFAOYSA-N 368.528 2.033 70 50 FEIA Cc1cccc(Cl)c1S(=O)(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 218715977 MRGOWGUIBIPBCG-HGMXIMQMSA-N 369.874 2.172 70 50 FEIA O=C(NCCn1ccc2ccc(F)cc21)c1cc(F)ccc1-n1cnnn1 218373126 ZERSLLUUPPRVQC-UHFFFAOYSA-N 368.347 2.325 70 50 FEIA CCc1nnc(CN(C)S(=O)(=O)c2ccc(Br)s2)o1 160726014 RVRUXPZFQWTNIW-UHFFFAOYSA-N 366.262 2.277 70 50 FEIA CCc1nc(CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cs1 218420811 CALACBIQASPJTJ-UHFFFAOYSA-N 352.481 2.494 70 50 FEIA CCSc1ccc(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)s1 218491356 AQFFVDLMAOKPTH-UHFFFAOYSA-N 367.496 2.359 70 50 FEIA CC(C)(O)CN1CCN(S(=O)(=O)c2ccccc2-c2ccccc2)CC1 160817373 SNAPAKJMNRLBHM-UHFFFAOYSA-N 374.506 2.431 70 50 FEIA Cc1c(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cnn1C1CCOCC1 161428911 URRDJRGVFKTZOE-MRXNPFEDSA-N 359.430 2.171 70 50 FEIA CCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCCN(C)C)cc1Cl 218095386 XWBFVJBDPMRAMP-NVXWUHKLSA-N 370.877 2.204 70 50 FEIA N[C@H]1CC[C@@H](C(=O)N(Cc2cccnc2)Cc2ccc3c(c2)OCO3)C1 216756823 KIBIJMRXWQIDNI-SJORKVTESA-N 353.422 2.467 70 50 FEIA O=C(NCc1n[nH]c(=O)[nH]1)c1cc(-c2ccc(F)cc2)nc2ccccc12 217661538 URYMPURVQBQFAF-UHFFFAOYSA-N 363.352 2.382 70 50 FEIA Cc1nc2ncccn2c1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 218556166 HNNQCUNFNCJWCK-SJORKVTESA-N 366.421 2.142 70 50 FEIA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1n[nH]c2ccccc12 218092743 HRYDOXARVPFQRA-CABCVRRESA-N 358.423 2.124 70 50 FEIA Cc1nc(N)ncc1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 218330385 WWZOYKWTQUUWCS-CQSZACIVSA-N 364.409 2.437 70 50 FEIA O=C(CSc1ccncc1)NCc1noc(-c2ccc3c(c2)OCO3)n1 218482314 CUBPEGPLDJOGJB-UHFFFAOYSA-N 370.390 2.269 70 50 FEIA Cc1c(C(=O)Nc2ccc(Cn3cncn3)cc2)sc2nc[nH]c(=O)c12 218273280 KPDZAVZYYXGOFN-UHFFFAOYSA-N 366.406 2.185 70 50 FEIA O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H](CS(=O)(=O)F)C1 2325887693 WMURSOCYBQOOKC-VIFPVBQESA-N 356.331 2.102 70 50 FEIA CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c(O)c1 100816967 MKPOMSVSVXOKCD-UHFFFAOYSA-N 352.343 2.261 70 50 FEIA CCC(=O)N1CC[C@@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 161110036 QYWOZCWDZXTKSL-MRXNPFEDSA-N 363.527 2.335 70 50 FEIA CN(C)C[C@@H]1C[C@H](CO)CN(C(=O)c2csc(Cc3ccccc3)n2)C1 216980758 WIDGGKBOFZCFIS-IRXDYDNUSA-N 373.522 2.366 70 50 FEIA O=C(NCCc1noc([C@H]2CCCO2)n1)c1ccccc1N1CCCC1 217084148 UKLGAADWMMEMOS-MRXNPFEDSA-N 356.426 2.494 70 50 FEIA CCCCc1nc(CN2CCCn3nc([C@H](O)CO)cc3C2)c(Cl)[nH]1 217927271 YGHVPWVFOYSZLH-OAHLLOKOSA-N 367.881 2.034 70 50 FEIA Cc1cnn([C@H]2CCN(C(=O)Nc3ccc(OS(=O)(=O)F)cc3)C2)c1 1875382468 CFPJRAQJLLXNDR-ZDUSSCGKSA-N 368.390 2.264 70 50 FEIA Cc1nnnn1CCC(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1 218751607 SQKPMWOAHLWNLK-KRWDZBQOSA-N 356.817 2.326 70 50 FEIA CSCC[C@H](O)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 218456770 BJXWUKDVMWHJFB-INIZCTEOSA-N 350.484 2.043 70 50 FEIA CN(CCc1noc(C(F)(F)F)n1)C(=O)c1scc2c1OCCO2 216978689 DFVKJVMWDTVBKB-UHFFFAOYSA-N 363.317 2.236 70 50 FEIA CN(Cc1ccc(CN2CCO[C@@H](c3ccccc3)C2)o1)S(C)(=O)=O 217102217 AMODMDVBWZSMKO-GOSISDBHSA-N 364.467 2.245 70 50 FEIA COc1ccc2[nH]c(C(=O)N[C@@H]3CCCN(c4cnccn4)C3)cc2c1 217116901 PLDJHXZPSZRZED-CQSZACIVSA-N 351.410 2.365 70 50 FEIA CN1C(=O)C[C@H](CNC(=O)c2cccc3c2OCCO3)c2ccccc21 218548571 ZFUFAGMYYPHKOA-CYBMUJFWSA-N 352.390 2.338 70 50 FEIA Cc1cnc(C)c(N2CCN(C(=O)[C@H](C)Sc3ccccn3)CC2)n1 218596585 RJSMFNVYNLHWPA-HNNXBMFYSA-N 357.483 2.318 70 50 FEIA CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3cc[nH]c3c2)cc1 218781736 XOJIKBJUIDTNBQ-UHFFFAOYSA-N 371.462 2.325 70 50 FEIA Cc1cc(N2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)ccn1 218431546 CPRJWICFBDCXRC-UHFFFAOYSA-N 353.422 2.400 70 50 FEIA CC(C)[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O 217825487 AIRFFNXFUFAWAG-UXHICEINSA-N 366.461 2.387 70 50 FEIA biogenic COCCn1c(C)cc(C)c(C(=O)NCCn2ccc3ccccc32)c1=O 218559493 AWPQNOQZTPCGOV-UHFFFAOYSA-N 367.449 2.496 70 50 FEIA Cc1ccc(O[C@H]2COCC[C@H]2NS(=O)(=O)c2ccc(C)s2)cn1 218659530 DTXYENZMCAIHHL-CABCVRRESA-N 368.480 2.275 70 50 FEIA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(C(N)=O)cc1 217675012 APQCPOASMHBEIP-CQSZACIVSA-N 370.361 2.043 70 50 FEIA biogenic Cc1nn(-c2cccc(C(=O)NCCc3cn[nH]c3)c2)c(=O)c2ccccc12 217075794 HNKHLCGWNRQLIV-UHFFFAOYSA-N 373.416 2.390 70 50 FEIA CC(=O)N1CC(Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)=CC1=O 218445674 PYSRXKOYDCIEDM-UHFFFAOYSA-N 352.268 2.496 70 50 FEIA COc1cc(Cl)cc2cc(C(=O)N3CCn4nc(CO)cc4C3)oc12 217211057 WNENOAWPMJNKDI-UHFFFAOYSA-N 361.785 2.440 70 50 FEIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CCc1n[nH]c2c1CCCC2 218091827 XMQSAKRPPAYZBA-RTBURBONSA-N 361.486 2.478 70 50 FEIA Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n[nH]1 161133807 FREUNWSGGNUJOR-MAUKXSAKSA-N 368.481 2.247 70 50 FEIA COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)Nc3ccccn3)CS[C@H]21 218501306 OROYPYXXFMWALT-BBATYDOGSA-N 371.418 2.307 70 50 FEIA O=C(NCCc1nc(Cc2ccccc2)no1)[C@@H](O)c1ccccc1F 218766686 RIRBATAFNCGPGT-SFHVURJKSA-N 355.369 2.192 70 50 FEIA Cc1oc2c(c1C(=O)N[C@H]1[C@H]3CCO[C@H]3[C@@H]1N1CCCCC1)C(=O)CCC2 218285891 KJCQEWVAERVEMY-ZNYHDOEXSA-N 372.465 2.479 70 50 FEIA CCN1CCC[C@H]1CNC(=O)c1n[nH]c2c1Cc1cc(OC)c(OC)cc1-2 218561245 GKOIVPDQQHRBHI-ZDUSSCGKSA-N 370.453 2.212 70 50 FEIA CCCn1ncc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)c1C 218327949 IXEIYXAJJPJLHD-QZTJIDSGSA-N 358.442 2.101 70 50 FEIA COc1ccccc1-c1noc(CCCC(=O)NCc2cnn(C)c2)n1 217054425 HCPYMVWNMVIJNY-UHFFFAOYSA-N 355.398 2.118 70 50 FEIA O=C(NCCCS(=O)(=O)F)c1cc([N+](=O)[O-])cc(Cl)c1Cl 2325887632 DZIAEBURTUIJGQ-UHFFFAOYSA-N 359.162 2.321 70 50 FEIA O=C(N[C@@H]1CCOC[C@H]1OCCO)c1cccc(Oc2ccccc2)c1 218196307 RCXXOTDKRIJBTG-RTBURBONSA-N 357.406 2.375 70 50 FEIA CN(C(=O)CS(=O)(=O)C1CCOCC1)[C@@H]1CCCc2ccccc21 160073908 MSURFDXZBKCCQZ-QGZVFWFLSA-N 351.468 2.116 70 50 FEIA Cc1cnc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)cn1 216975408 BWWCDWLALWAFLV-SJORKVTESA-N 350.422 2.048 70 50 FEIA O=C(Cn1cnc2sccc2c1=O)Nc1n[nH]c(CCC2CCCC2)n1 218323587 KTLNNYPJXKUGOG-UHFFFAOYSA-N 372.454 2.338 70 50 FEIA Cc1cccc(O[C@H](C(=O)N2CCN(Cc3nccn3C)CC2)C(C)C)c1 217838045 JMOOXADLMVPURB-FQEVSTJZSA-N 370.497 2.476 70 50 FEIA COc1cccc(C(=O)N2CCC(C(=O)NCCc3ccncc3)CC2)c1 216996212 ZDFWLFLTBBVVHK-UHFFFAOYSA-N 367.449 2.301 70 50 FEIA C[C@H](CCC(=O)N(C)Cc1cc(-c2ccncc2)no1)N1CCOCC1 218029825 RNCBGLPJZLHBKD-OAHLLOKOSA-N 358.442 2.196 70 50 FEIA CN(C)c1ccc(CCC(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1 218232989 KWEGVYYHMODELI-HXUWFJFHSA-N 359.514 2.445 70 50 FEIA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cc3ccc(OC)cc3n1C)C2 216807437 LPAQCPPBQOKKML-RDJZCZTQSA-N 371.481 2.370 70 50 FEIA CC(=O)N[C@H]1C[C@H](c2cc(N3CCN(Cc4cccs4)CC3)ncn2)C1 218746594 ACFZHADVMSLKBJ-IYBDPMFKSA-N 371.510 2.242 70 50 FEIA CC1(C)OC(=O)C[C@H]1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 218461650 UICNCLVQNXKCIP-AWEZNQCLSA-N 351.830 2.492 70 50 FEIA Cc1ccccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 218322276 UGBYZDJZTNRQSE-HUUCEWRRSA-N 368.480 2.104 70 50 FEIA Cc1ccc(Cc2nnc(NC(=O)N[C@H]3CCc4ncnn4C3)s2)cc1 161146710 XFDLSVKRGUYTIU-ZDUSSCGKSA-N 369.454 2.165 70 50 FEIA Cn1cc([C@H](NC(=O)c2ccc(OC(F)F)cc2)C2CC(O)C2)cn1 218156777 MMYOVCOOTAELFK-ABIUDSBCSA-N 351.353 2.264 70 50 FEIA CCc1ccc(S(=O)(=O)NC[C@H](O)COc2ccc(F)cc2)cc1 159971856 HMAVKICDXSRCMM-HNNXBMFYSA-N 353.415 2.106 70 50 FEIA Cn1nccc1[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)F)c1 1338068757 PWCOPFOVSKKJOO-OAHLLOKOSA-N 351.403 2.446 70 50 FEIA OCc1cc2n(n1)CCN(Cc1ccc(OCc3ccccn3)cc1)C2 217023809 JUXZTLRNPXQDOI-UHFFFAOYSA-N 350.422 2.365 70 50 FEIA Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N(C)Cc2c(C)nc3ccccn23)n1 218268315 XWOLYWGRHCHVGI-CYBMUJFWSA-N 371.466 2.174 70 50 FEIA CCCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(CCCOC(C)C)C[C@@]23C=C[C@H]1O3 217644462 RFMPETSDZRKPCC-YZLZLFLDSA-N 365.470 2.317 70 50 FEIA Cc1ccc2[nH]c([C@H](C)NC(=O)Cc3nc4nc(C)cc(C)n4n3)nc2c1 216939996 GDMCGEYOGSTTPB-ZDUSSCGKSA-N 363.425 2.346 70 50 FEIA CCc1nc(N[C@@H]2COCC[C@H]2Oc2ccc(C(N)=O)cc2)ncc1C 218524683 JFVWLBWGRBJLLH-IAGOWNOFSA-N 356.426 2.095 70 50 FEIA COc1ccc(C(=O)N2CCC(C(=O)NCCc3cccnc3)CC2)cc1 217178107 KFELHVSIBYHUOM-UHFFFAOYSA-N 367.449 2.301 70 50 FEIA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1n[nH]c3ccccc13)C2 216915241 CZTYAYWHFQFNIY-SFHVURJKSA-N 353.426 2.178 70 50 FEIA COc1cn(CC(=O)NCCc2c[nH]c3ccc(F)cc23)c(C)cc1=O 218342140 DWGIQJGVUBIMKD-UHFFFAOYSA-N 357.385 2.145 70 50 FEIA COc1ccc(C(=O)N2CCn3nc([C@H](O)c4ccccc4)cc3C2)o1 217803572 PATNJXVSHVWLKJ-GOSISDBHSA-N 353.378 2.222 70 50 FEIA CC(=O)N1CSC[C@H]1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 160909230 FORRGUYOLRGJRR-INIZCTEOSA-N 358.467 2.190 70 50 FEIA C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 160204075 IEFVQHKUTOYPCD-UHOFOFEASA-N 354.447 2.495 70 50 FEIA COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C[C@@]23C=C[C@H]1O3 217634901 CTWTVHMQDVBVGF-IATRGZMQSA-N 353.296 2.165 70 50 FEIA O=c1cc(CN2CCN(c3ccccc3)CC2)oc(CN2CCCC2)c1O 218153321 SMYONMNSJOENEF-UHFFFAOYSA-N 369.465 2.263 70 50 FEIA CC(=O)N1CCC(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)CC1 218540528 DJODFFBHZXORKO-YRPNKDGESA-N 356.466 2.007 70 50 FEIA Cc1ccc(Cl)c(OCCN2CCCn3nc([C@@H](O)CO)cc3C2)c1 217396129 LZKOUDAVMHQPHE-KRWDZBQOSA-N 365.861 2.155 70 50 FEIA O=S(=O)(c1cc(Br)ccc1Cl)N1CCC[C@@H]1CO 159876896 VSKHDAGOXLJKMA-SECBINFHSA-N 354.653 2.248 70 50 FEIA Cc1nn(-c2cccc(C(=O)N3CC[C@@H]4CNC[C@@H]43)c2)c(=O)c2ccccc12 216718964 NUTGQRTYIIOTEG-UZLBHIALSA-N 374.444 2.128 70 50 FEIA COc1ccc2cc([C@H](C)C(=O)NCCc3nc(N)cc(O)n3)ccc2c1 218162488 OFXHIEHILARQQT-LBPRGKRZSA-N 366.421 2.389 70 50 FEIA COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)c3cnn(C)c3)CC2)cc1 217369172 HSDBDHKMVNWWSC-AWEZNQCLSA-N 370.453 2.158 70 50 FEIA Cc1oc(C(=O)NCC2(C3CC3)CC2)cc1S(=O)(=O)N1CCCC1 159959731 YTMNVWWQQWKAHH-UHFFFAOYSA-N 352.456 2.293 70 50 FEIA Cc1cn2cccc(C(=O)N[C@@H]3CCOC[C@H]3OCc3cscn3)c2n1 218484824 VTNYOVWHKSQHLA-HZPDHXFCSA-N 372.450 2.203 70 50 FEIA CCc1cc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)cc(=O)[nH]1 218487788 FFWAGGVIRYZJMQ-SJORKVTESA-N 360.385 2.043 70 50 FEIA Cc1ccc2oc(N3CCCn4nc([C@H](O)CN(C)C)cc4C3)nc2c1 217993956 ORGYBHKVSCDPFH-QGZVFWFLSA-N 355.442 2.338 70 50 FEIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccccc2)C1 217648494 QCVZJYLFZYHJSR-JENIJYKNSA-N 355.482 2.420 70 50 FEIA biogenic O=C(c1cccc(CS(=O)(=O)C2CCOCC2)c1)N1CCCCC1 160094393 SEYKKIFUQUROSI-UHFFFAOYSA-N 351.468 2.407 70 50 FEIA COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(F)c1)CC2 160719045 RNQOJHZQRNSMBU-HZPDHXFCSA-N 373.432 2.425 70 50 FEIA CN1C[C@@H]2CC[C@H](C1)CN2C(=O)CCCc1nc(-c2cccnc2)no1 216747510 DDJFOKXSDLRWQB-ZBFHGGJFSA-N 355.442 2.007 70 50 FEIA COC(=O)N1CCCC[C@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 218727835 AKCBZMZHFYVXMT-KRWDZBQOSA-N 356.426 2.169 70 50 FEIA Cc1ccc(C)c(N2N=C(C(=O)NOCc3cccnc3)CCC2=O)c1 160826762 UVJFQWCABQCOMU-UHFFFAOYSA-N 352.394 2.429 70 50 FEIA Cn1cc([C@@H](NC2CCN(Cc3ccccc3)CC2)[C@H]2C[C@H](O)C2)cn1 218031007 FOFBPZUPFAFCPN-WMQCIHAUSA-N 354.498 2.486 70 50 FEIA Cc1c(CN2CCn3nc([C@@H](O)CO)cc3C2)[nH]c2ccc(Cl)cc12 217177448 KCOZMMCOCPCSED-SFHVURJKSA-N 360.845 2.368 70 50 FEIA Cc1cc(N)n(CC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)n1 217205583 SIMYPFAKKKADIA-AWEZNQCLSA-N 352.398 2.187 70 50 FEIA COc1cc(Br)c(CCC(=O)O)cc1S(=O)(=O)Cl 1775954878 RPEQAMPGCWTSQF-UHFFFAOYSA-N 357.609 2.402 70 50 FEIA Cc1nc(CNC(=O)c2ccccc2N2CCC(=O)NC2=O)sc1C 217159421 WHPWICVLYVQCJY-UHFFFAOYSA-N 358.423 2.136 70 50 FEIA O[C@H](c1ccccc1)c1cc2n(n1)CCN(Cc1nc(C3CC3)no1)C2 217654932 NPEZWFDUPYYZGR-GOSISDBHSA-N 351.410 2.241 70 50 FEIA Cc1ccc(Cl)c(OCCN2CCCn3nc([C@H](O)CO)cc3C2)c1 217396217 LZKOUDAVMHQPHE-QGZVFWFLSA-N 365.861 2.155 70 50 FEIA Cc1cc(N)n(CC(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)n1 217710232 RXZGQQYQALEMFF-BBTUJRGHSA-N 368.481 2.453 70 50 FEIA COc1ccc2c(ccn2CCNC(=O)C2(n3cnnn3)CCCCC2)c1 217746060 AUTRCUXFCULCGD-UHFFFAOYSA-N 368.441 2.112 70 50 FEIA biogenic Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)c1cc(C)n(C)c1C 218591891 BFHWZXSOIOZTKQ-MSOLQXFVSA-N 361.442 2.351 70 50 FEIA C[C@@H](CCC(=O)N(C)Cc1cc(-c2ccncc2)no1)N1CCOCC1 218029741 RNCBGLPJZLHBKD-HNNXBMFYSA-N 358.442 2.196 70 50 FEIA CC(C)(C)c1cc(C(=O)NC[C@H]2CCCN(c3ccccn3)C2)[nH]c(=O)n1 218744441 BODCOUPYYJXNLL-CQSZACIVSA-N 369.469 2.109 70 50 FEIA CN(C)c1ccc(CCC(=O)N2CCCO[C@@H](CN3CCCC3)C2)cc1 217131816 GDWBDPYPYVGUKE-FQEVSTJZSA-N 359.514 2.399 70 50 FEIA Cn1nccc1[C@H](O)c1cc2n(n1)CCN(Cc1cccc3cc[nH]c13)C2 218228512 SBGKIXWOZJEHCY-HXUWFJFHSA-N 362.437 2.195 70 50 FEIA COCCn1cc(C(=O)Nc2n[nH]c(C(C)C)n2)c2ccccc2c1=O 218410629 UWDUDGIRJGHLNW-UHFFFAOYSA-N 355.398 2.142 70 50 FEIA NC(=O)c1cc(C(=O)NCCNC2CCCCCC2)nn1-c1ccccc1 159667167 JDQVQCVVQPTDJU-UHFFFAOYSA-N 369.469 2.013 70 50 FEIA Cc1nc2c(C(=O)N[C@@H](Cc3ccccn3)[C@H]3C[C@@H](O)C3)cccc2[nH]1 218575487 DDHQMYWMWJVHSQ-YEWWUXTCSA-N 350.422 2.378 70 50 FEIA CN1CCC2(CCCN2C(=O)CCc2ccc(S(=O)(=O)F)cc2)CC1 1338971651 VUBQNEOGHKVIRO-UHFFFAOYSA-N 368.474 2.364 70 50 FEIA CC1(C)OC(=O)C[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 218518501 QICGNVXXGOKOJL-LBPRGKRZSA-N 371.359 2.091 70 50 FEIA COc1cn(CC(=O)Nc2nnc(Cc3ccccc3)s2)c(C)cc1=O 218209419 HJULVNDOMKOGKI-UHFFFAOYSA-N 370.434 2.246 70 50 FEIA O=C(NCCc1nc(-c2cccnc2)no1)[C@H]1CCc2ccccc2O1 218050786 LLJMOLHRLZHZMI-MRXNPFEDSA-N 350.378 2.184 70 50 FEIA CC[C@H](O)c1cc2n(n1)CCCN(c1ncc(F)c(N3CCCC3)n1)C2 217388293 GSTACBSTEKSILR-INIZCTEOSA-N 360.437 2.266 70 50 FEIA COc1cc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc(OC)c1OC(C)=O 218100804 CRQSVSUJUYFNLG-LBPRGKRZSA-N 374.345 2.332 70 50 FEIA biogenic C[C@H](O)c1cc2n(n1)CCCN(c1ncccc1C(=O)c1nccs1)C2 216994866 TWXLBYYPMJVCNP-LBPRGKRZSA-N 369.450 2.429 70 50 FEIA Cn1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(OC(F)(F)F)c3)C2)n1 218253524 OHWLQZUEOIXUJV-JTQLQIEISA-N 368.315 2.310 70 50 FEIA CCN(C)c1ccnc(N2CCC[C@@H](c3nccn3CCN(C)C)C2)n1 217561069 ZVJNGFKUDPNWEZ-MRXNPFEDSA-N 357.506 2.075 70 50 FEIA CC[C@]1(C(N)=O)CCCN(C(=O)C2(c3ccccc3)CCN(C)CC2)C1 217792427 CFRJNTANSGNYIE-FQEVSTJZSA-N 357.498 2.154 70 50 FEIA COc1nc2ccccc2nc1CCC(=O)NCCc1c(C)n[nH]c1C 217717542 RQENXKSOKXBOSZ-UHFFFAOYSA-N 353.426 2.270 70 50 FEIA C[C@H](NC(=O)c1ccccc1N1CCOCC1)c1cn2ncsc2n1 218159417 MPIAEZNRCJXWHB-LBPRGKRZSA-N 357.439 2.118 70 50 FEIA COc1cccc2c(O)c(C(=O)N[C@@H](C)c3nnc4ccccn34)cnc12 218175595 LKPMBAXIAWFVFB-NSHDSACASA-N 363.377 2.483 70 50 FEIA O=C(NCCN1CCc2ccccc2C1)Nc1ccnn1C[C@H]1CCOC1 159845620 VAQYETOGHQTQMY-MRXNPFEDSA-N 369.469 2.099 70 50 FEIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCc2c[nH]cn2)n1 218402408 XZZRUJSOGDHHEH-GOSISDBHSA-N 364.453 2.199 70 50 FEIA Cn1cc([C@@H](NS(=O)(=O)c2ccc(F)cc2Cl)C2CC(O)C2)cn1 218372009 NXJZOXFFTCIOOP-CQWGXMFFSA-N 373.837 2.003 70 50 FEIA Cc1nc(C2CC(O)C2)cc(N2CCN(c3nc4ccccc4o3)CC2)n1 218682361 KTPXPCGCZUDMBY-UHFFFAOYSA-N 365.437 2.491 70 50 FEIA CCN1CCC[C@@H]1CNC(=O)c1n[nH]c2c1CCc1cc(OC)ccc1-2 218462374 YCLNEUWGMGCQER-CQSZACIVSA-N 354.454 2.398 70 50 FEIA Cc1cc(=O)cc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)o1 217542195 SSEABPMEOVTLSW-UHFFFAOYSA-N 352.434 2.264 70 50 FEIA CCOCCn1nc(C)cc1C(=O)N1CCCN(c2ccnc(C)c2)CC1 218027868 HHRGHTSOTALAQW-UHFFFAOYSA-N 371.485 2.284 70 50 FEIA CCOc1c(Cl)cc(CNC(=O)c2cccc(=O)n2C)cc1OC 160446178 KTAQPBUTXSQZBQ-UHFFFAOYSA-N 350.802 2.376 70 50 FEIA Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)F)cc1 864242030 SQZMLOYTSITFMD-OAHLLOKOSA-N 351.403 2.446 70 50 FEIA CN1CCN(Cc2ccc(C(=O)NCCCc3ccncc3)cc2)CC1 218252737 YAFOPYVGKHFKQG-UHFFFAOYSA-N 352.482 2.192 70 50 FEIA CNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2csc(C)n2)cc1 216945217 CFVRVXAVAIOJHT-LLVKDONJSA-N 367.496 2.170 70 50 FEIA Cn1ncc(Cl)c1C(=O)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 218696441 VPFYEKMWIFMHHM-KRWDZBQOSA-N 371.828 2.008 70 50 FEIA CCc1nc(C)ccc1OCC(=O)N1CCCn2nc([C@H](C)O)cc2C1 216955431 GUHQDDGCFIOVTB-AWEZNQCLSA-N 358.442 2.014 70 50 FEIA O=C(CCc1nc(-c2ccco2)no1)NCc1nc(-c2ccccc2)n[nH]1 217194499 AVXFHHWPMKDPRO-UHFFFAOYSA-N 364.365 2.364 70 50 FEIA CC(C)c1noc([C@@H]2CCCN(C(=O)CN(C)Cc3ccccn3)C2)n1 218099973 OXBDSPVWDSDVEH-OAHLLOKOSA-N 357.458 2.426 70 50 FEIA COc1cncc([C@@H](NC(=O)COCc2ccccc2)[C@H]2C[C@H](O)C2)c1 218418273 HAJRRPKBRKHQIZ-VPWXQRGCSA-N 356.422 2.235 70 50 FEIA CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2nnc(C(C)C)o2)cc1 218100664 YJBIKTDHEMSABG-NSHDSACASA-N 366.443 2.446 70 50 FEIA CC(=O)N[C@H](C)Cc1c(C(=O)N2CCc3n[nH]cc3C2)[nH]c2ccccc12 217124837 FTLCDKFHKBFLID-GFCCVEGCSA-N 365.437 2.157 70 50 FEIA CN(CC1(CO)CCOCC1)C(=O)CN1CCC(c2ccccc2)CC1 218585899 KQAWURIZRNZJKU-UHFFFAOYSA-N 360.498 2.114 70 50 FEIA CCc1noc(CN(CC)C(=O)c2ccc(NS(=O)(=O)CC)cc2)n1 218045732 GDHOSKQNSJGUMN-UHFFFAOYSA-N 366.443 2.056 70 50 FEIA CCc1nc(C)c(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)o1 218631263 AFHYEHQCYNBZGY-CHWSQXEVSA-N 351.428 2.106 70 50 FEIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ccccc1-n1cncn1 218165132 JGDFPBZZPFAECX-AEFFLSMTSA-N 356.426 2.137 70 50 FEIA OCCn1nccc1C1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 160561979 LABJDWNPBKWDDL-GOSISDBHSA-N 351.397 2.067 70 50 FEIA COc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)ccn1 216834571 DRMWLBRUSKXPJN-MSOLQXFVSA-N 365.433 2.353 70 50 FEIA Cn1ncc(Cl)c1C(=O)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 218696514 VPFYEKMWIFMHHM-QGZVFWFLSA-N 371.828 2.008 70 50 FEIA CN1C(=O)C[C@@H](CNC(=O)c2cccc3c2OCCO3)c2ccccc21 218548487 ZFUFAGMYYPHKOA-ZDUSSCGKSA-N 352.390 2.338 70 50 FEIA COCc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)o1 218499397 XUGUXVVVDNMZRR-CVEARBPZSA-N 364.398 2.135 70 50 FEIA COc1ccc(OC2CCN(C(=O)CCC3=NNC(=O)CC3)CC2)cc1 217952843 NLLJAWZHMKMPBK-UHFFFAOYSA-N 359.426 2.111 70 50 FEIA COc1ccc(C(=O)N[C@H](CO)CCSC)cc1-n1nc(C)cc1C 218284848 CHXYBYNTGUBLJV-HNNXBMFYSA-N 363.483 2.342 70 50 FEIA CC(C)C[C@H](CO)NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 160920627 LBIVOQBAFWODLE-FUHWJXTLSA-N 364.461 2.130 70 50 FEIA C[C@H](CC(=O)N[C@@H](CC(N)=O)C1CCOCC1)c1ccc(F)cc1F 160281818 WANAARDITMRULL-BZNIZROVSA-N 354.397 2.245 70 50 FEIA C[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)Cc1cc(F)ccc1Cl)C2 217729509 HJXIQZYDEXXEED-SNVBAGLBSA-N 373.837 2.075 70 50 FEIA COc1ccc(C(=O)N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)o1 217803489 PATNJXVSHVWLKJ-SFHVURJKSA-N 353.378 2.222 70 50 FEIA COCCn1c(CNC(=O)Cc2ccc3c(c2)OCC3)nc2ccccc21 218617090 LKCHCXXQUGDGPG-UHFFFAOYSA-N 365.433 2.477 70 50 FEIA CCN1CCN(CC(=O)N[C@@H](c2ccncc2)c2ccc(C)cc2)CC1 217785676 SROXCNWVFXHXRH-OAQYLSRUSA-N 352.482 2.233 70 50 FEIA COc1ccc2[nH]c(C(=O)NCCc3noc([C@H]4CCCO4)n3)cc2c1 217158948 VNFQEDLLBHMQAB-OAHLLOKOSA-N 356.382 2.384 70 50 FEIA Cc1nc2ccccc2n1CCC(=O)NCCc1noc([C@@H]2CCCO2)n1 217205091 NJYKSGMGYBXVCU-INIZCTEOSA-N 369.425 2.328 70 50 FEIA O[C@@H](c1cc2n(n1)CCN(Cc1cnc(N3CCCC3)s1)C2)C1CC1 218190895 MAYSEYIZLUQOFL-QGZVFWFLSA-N 359.499 2.399 70 50 FEIA COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1c(O)cc(C)oc1=O 218087750 TVVAZYYVFRMLMK-LLVKDONJSA-N 362.334 2.086 70 50 FEIA biogenic O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1n[nH]c2ccccc12 218685246 HCAZNTHIGQMVEE-IAGOWNOFSA-N 352.394 2.062 70 50 FEIA CSc1ncc(C(=O)N[C@H](CCn2cncn2)c2ccccc2)cn1 218168180 XACNWJHEDVHUOD-OAHLLOKOSA-N 354.439 2.351 70 50 FEIA CN1CCN(Cc2ccc(C(=O)N3CC(Oc4ccccc4)C3)cc2)CC1 218472064 BFUPNFGDJUUEDL-UHFFFAOYSA-N 365.477 2.337 70 50 FEIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccccc2)C1 217648410 QCVZJYLFZYHJSR-YQVWRLOYSA-N 355.482 2.420 70 50 FEIA biogenic O=S(=O)(F)Oc1ccc(CN2CCN(c3ccccc3O)CC2)cc1 1875387652 RAKMUUUVTSDWKH-UHFFFAOYSA-N 366.414 2.308 70 50 FEIA CN(CC(=O)N1CC=C(c2ccccc2F)CC1)c1ncnc2nc[nH]c12 160312038 RLWLIWOCNYKQPJ-UHFFFAOYSA-N 366.400 2.244 70 50 FEIA CCn1nc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)cc1C 216807794 KQTQLFBWRMHGJO-MSOLQXFVSA-N 366.465 2.475 70 50 FEIA CCN(CC)Cc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)c(-c2ccccc2)o1 217168623 DRNURXXZPGQCHK-UHFFFAOYSA-N 369.425 2.130 70 50 FEIA O=C(NS(=O)(=O)Cc1c(F)cccc1F)[C@H]1OCCc2ccccc21 161298170 XYQJWIUMZKABPL-INIZCTEOSA-N 367.373 2.225 70 50 FEIA CC(C)(C)OC(=O)N1CCN(c2cccc(OS(=O)(=O)F)c2)CC1 1875374176 DKGUEXWFRVVKRZ-UHFFFAOYSA-N 360.407 2.337 70 50 FEIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCc1ccccn1 218464302 JAUFMQZISZFMKE-QGZVFWFLSA-N 355.438 2.012 70 50 FEIA O=C(COc1ccc2c(c1)NC(=O)CC2)NC[C@@H]1CCCN2CCCC[C@H]12 217804937 DIVIUWFPFKCEBK-QFBILLFUSA-N 371.481 2.331 70 50 FEIA biogenic NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC2Cc3ccccc3C2)cc1 218660875 OTHHTFUVJVTHIF-WOJBJXKFSA-N 352.434 2.079 70 50 FEIA CSc1nc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)cs1 218473400 JHGHOHRXKYIZQO-ZYHUDNBSSA-N 371.509 2.426 70 50 FEIA O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(CSc2ccccn2)cc1 218244869 OICUUQBAMPYGGU-OAHLLOKOSA-N 362.476 2.291 70 50 FEIA CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 161009552 CQFUOFYOBKPJLB-NVXWUHKLSA-N 359.470 2.181 70 50 FEIA O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(-c2nc[nH]n2)c1 218603193 MYAPSAVDWGRZEQ-UHFFFAOYSA-N 360.377 2.280 70 50 FEIA O=C1NC[C@@]2(CCCN(C(=O)CN3CCC(c4ccccc4)CC3)CC2)O1 217149401 HBZHONHDONPDKA-NRFANRHFSA-N 371.481 2.357 70 50 FEIA Cc1nn(-c2ccccn2)c(C)c1CC(=O)N[C@H](CO)Cc1ccccc1 218155201 QPWVCFRWYBRKDM-SFHVURJKSA-N 364.449 2.146 70 50 FEIA O=C(NCCn1ccc2ccc(F)cc21)c1cccc(-n2cnnn2)c1 218375873 XOXXNUIQXACKSX-UHFFFAOYSA-N 350.357 2.186 70 50 FEIA COc1ccc(NC(=O)c2c(C)cc(C)n(C[C@@H]3CCCO3)c2=O)cn1 218609295 IRVNWSAEBGCBAF-HNNXBMFYSA-N 357.410 2.300 70 50 FEIA Cc1cc(C)n([C@H]2CCN(C(=O)c3ccccc3N3CCOCC3)C2)n1 218596870 XPTBWRMHAFUMPU-KRWDZBQOSA-N 354.454 2.424 70 50 FEIA COc1ccc(C2(C(=O)NC3CCN(C[C@H]4CCCO4)CC3)CC2)cc1 218570410 ZUMGSMLQTPJUPB-LJQANCHMSA-N 358.482 2.486 70 50 FEIA CC(C)Nc1ncc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cn1 218040211 KDWFMFCRTALFRT-QZTJIDSGSA-N 370.453 2.401 70 50 FEIA O=C(N[C@H](CCn1cncn1)c1ccccc1)c1cc2c([nH]c1=O)CCC2 218246653 HCHGHWCSVXIZEE-GOSISDBHSA-N 363.421 2.017 70 50 FEIA O=S(=O)(/C=C/c1ccccc1)N[C@@H]1COCC[C@H]1Oc1ccccn1 218356564 PGCSKLXYSKVXGI-WCEBEWAISA-N 360.435 2.208 70 50 FEIA O=C(c1cccc(N2CCOCC2)c1)N1CCOc2ccc(CO)cc2C1 217500497 NWOPOWLAEXSNCZ-UHFFFAOYSA-N 368.433 2.050 70 50 FEIA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc(Cn2cccn2)o1 218714479 NEZVJNXETAHIBZ-HBUWYVDXSA-N 352.394 2.161 70 50 FEIA CN1CCC(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)(c2ccccc2)CC1 217951052 WJABHONDQVKBDN-RUYXUALKSA-N 355.526 2.449 70 50 FEIA COC1CCN(C(=O)c2ccc(OS(=O)(=O)F)c(Cl)c2)CC1 1875374354 LTICKTYLTHAATR-UHFFFAOYSA-N 351.783 2.184 70 50 FEIA O=C(CCc1nc2ccccc2[nH]1)N1CCCO[C@@H](Cn2cccn2)C1 217796176 ABKMMYJAIGTMAL-OAHLLOKOSA-N 353.426 2.010 70 50 FEIA Cn1nc(C(=O)N2CCCO[C@H](Cn3cccn3)C2)cc1-c1cccs1 218489867 NGDVNDHOSRDSSC-AWEZNQCLSA-N 371.466 2.276 70 50 FEIA CN(Cc1cc(-c2ccccn2)no1)C(=O)c1cc2c([nH]c1=O)CCC2 218514285 POTFEFANFYBEPU-UHFFFAOYSA-N 350.378 2.186 70 50 FEIA CCc1nc(C)ccc1OCC(=O)N1CCC(c2ccnc(N)n2)CC1 217903869 LEQLJLCDKPRXAU-UHFFFAOYSA-N 355.442 2.110 70 50 FEIA COc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)c3cnn(C)c3)CC2)cc1 217369273 HSDBDHKMVNWWSC-CQSZACIVSA-N 370.453 2.158 70 50 FEIA O=S(=O)(Oc1ncc(F)cc1I)C(F)(F)F 100002231 FGMROSXFLPQCML-UHFFFAOYSA-N 371.049 2.054 70 50 FEIA in-vitro Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCc1ccccn1 218464216 JAUFMQZISZFMKE-KRWDZBQOSA-N 355.438 2.012 70 50 FEIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(CN3CCCC3)o1)C2 217449529 NFAFUVPUMZIPDK-AWEZNQCLSA-N 358.442 2.171 70 50 FEIA Cn1cc(OCc2ccccc2Cl)c(=O)cc1C(=O)N1CCOCC1 218427347 VIADTYZEDMEBFF-UHFFFAOYSA-N 362.813 2.090 70 50 FEIA CC(C)CN1C[C@H](C(=O)NCCCCCc2nnc3ccccn23)CC1=O 218360497 GNAIOPUFKWSOCW-MRXNPFEDSA-N 371.485 2.063 70 50 FEIA C[C@H](NC(=O)c1cccc(OCC(=O)N2CCCCC2)c1)c1cnn(C)c1 217338708 CYJBPRPYFUHOQC-HNNXBMFYSA-N 370.453 2.302 70 50 FEIA CCN(CC)CCOc1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1 160981653 TZKAGZCDBRECSO-OAHLLOKOSA-N 372.473 2.135 70 50 FEIA COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)CC2 160719376 RNQOJHZQRNSMBU-HOTGVXAUSA-N 373.432 2.425 70 50 FEIA CC(C)OCCCNC(=O)/C(C#N)=C/c1cccc(S(=O)(=O)F)c1 1875319394 APJHMJDEXARGIX-NTEUORMPSA-N 354.403 2.183 70 50 FEIA COCCn1c(C)cc(C)c(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1=O 218441241 QSNQOULDBKPYEH-AWEZNQCLSA-N 368.437 2.479 70 50 FEIA COC(=O)N1CCCC[C@@H]1C(=O)N(C)CCc1nc2cc(F)ccc2[nH]1 218764823 DTKHTLNXXFSYFP-OAHLLOKOSA-N 362.405 2.324 70 50 FEIA Cc1nc2cc(CC(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)ccc2[nH]1 218756959 NVIKRSBHOOUIGF-AVYPCKFXSA-N 350.422 2.437 70 50 FEIA COc1cc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)ccc1OC(C)C 217718277 RIFSZIHKLKLEFV-ZDUSSCGKSA-N 361.394 2.457 70 50 FEIA biogenic COC[C@@H](O)CNS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1 160897709 OQKFLKJLDJNMCU-VIFPVBQESA-N 364.250 2.432 70 50 FEIA Cc1ccnc(SCC(=O)N2CCC[C@H](OCc3ccccn3)C2)n1 218515742 JKEBMQHCSLYOIJ-INIZCTEOSA-N 358.467 2.480 70 50 FEIA COc1ccc(NS(=O)(=O)c2ccccc2S(=O)(=O)F)cc1F 225415870 PWTFHBUNVMHOKQ-UHFFFAOYSA-N 363.363 2.293 70 50 FEIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(O)c(Cl)c1 217683302 IPVXBPVMWLRVFM-VIFPVBQESA-N 363.753 2.352 70 50 FEIA biogenic Cc1cccc(N2CCN(CCC(=O)NCCc3ccncc3)CC2)c1 217875373 RHTDRHBHMKJGDL-UHFFFAOYSA-N 352.482 2.261 70 50 FEIA CCn1ccnc1CN(C)C(=O)C1CCN(C(=O)Cc2ccccc2)CC1 218646728 ILWQYBSLHINTQT-UHFFFAOYSA-N 368.481 2.343 70 50 FEIA COc1cccc(-n2cc(CNC(=O)COC[C@H]3CCCCO3)cn2)c1 217070782 SVGCNSIXZMOIMR-GOSISDBHSA-N 359.426 2.083 70 50 FEIA COc1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)N(C)C3)c(C(C)=O)cc1OC 216866697 FBLWAKCYZWQCEH-HOCLYGCPSA-N 360.454 2.002 70 50 FEIA c1ccc([SiH](c2ccccc2)[SiH](c2ccccc2)c2ccccc2)cc1 169816790 LKWATTABEBNHPP-UHFFFAOYSA-N 366.612 2.148 70 50 FEIA in-vitro C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cnc3c(c2)ncn3C)CC1 160949877 TUVWKYLKQQNEEV-AWEZNQCLSA-N 364.453 2.319 70 50 FEIA Cc1cnc2c(Cl)c(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)nn2c1 217988618 FQMUSHARJDTIFO-TYNCELHUSA-N 371.828 2.328 70 50 FEIA CC(C)Cc1cc(C(=O)NC2CCN(c3ccccc3)CC2)nc(=O)[nH]1 217767969 GCFIZNIFTHQMCB-UHFFFAOYSA-N 354.454 2.367 70 50 FEIA CC(=O)c1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c1 218502389 GLZHAEAWCMQWFX-IAGOWNOFSA-N 360.435 2.450 70 50 FEIA O=C(NCCc1noc([C@@H]2CCCO2)n1)c1ccccc1N1CCCC1 217084122 UKLGAADWMMEMOS-INIZCTEOSA-N 356.426 2.494 70 50 FEIA CC(=O)NC1CCC(NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 161361740 ZGANKQZLBBXFLM-ATIQYGATSA-N 359.514 2.444 70 50 FEIA CC(C)Cc1cc(C(=O)NCc2ccccc2Cn2cccn2)nc(=O)[nH]1 217041225 ZZRWZPRTCDUCOC-UHFFFAOYSA-N 365.437 2.143 70 50 FEIA OCc1ccc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)o1 217173193 NKGLFHIRAPUFPC-FQEVSTJZSA-N 353.422 2.456 70 50 FEIA COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)Nc1ccccn1 218501393 OROYPYXXFMWALT-VOJFVSQTSA-N 371.418 2.307 70 50 FEIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 218552620 QZRGTFAIEHMPCB-DGAVXFQQSA-N 365.373 2.034 70 50 FEIA O=C(CCc1cc(Cl)no1)N[C@@H]1COCC[C@@H]1OCc1cscn1 218254763 KKZOUTQDIDCJNO-OLZOCXBDSA-N 371.846 2.208 70 50 FEIA O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(C(F)(F)F)nc1 218383756 FIQTXSYZZYXPHI-UHFFFAOYSA-N 355.316 2.358 70 50 FEIA O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CCCN(c2cnccn2)C1 217615415 XWMMSGOXBHFKQV-CQSZACIVSA-N 350.426 2.071 70 50 FEIA Cc1nn(Cc2nnc([C@H]3C[C@H](N)C3)n2C)c(C)c1Cc1ccccc1 218088498 RVOGFTVLGZNYPF-CALCHBBNSA-N 350.470 2.472 70 50 FEIA O=C(COC[C@H]1CCCCO1)N1CCN(c2nc3ccccc3o2)CC1 217971945 TWGCTBLJYZPQCJ-OAHLLOKOSA-N 359.426 2.062 70 50 FEIA O=C(CCc1cc(Cl)no1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 218011251 HYJMXSARPIIHNP-CHWSQXEVSA-N 351.790 2.008 70 50 FEIA CSCC[C@@H](CO)NC(=O)c1cc(-c2c(C)nn(C(C)C)c2C)n[nH]1 218278145 JQEDMXSCAMJPJC-ZDUSSCGKSA-N 365.503 2.315 70 50 FEIA Cc1cccn2c(CC(=O)N[C@H]3CCOC[C@H]3C3CCOCC3)cnc12 218260035 LZNKINAZIGGFAP-ROUUACIJSA-N 357.454 2.133 70 50 FEIA CCc1oc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2COC)cc1CN1CCCC1 218158934 JIQBICUQIMJCKX-QXGSTGNESA-N 362.470 2.218 70 50 FEIA CCC(=O)N1CC[C@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 161109927 QYWOZCWDZXTKSL-INIZCTEOSA-N 363.527 2.335 70 50 FEIA CO[C@@H]1CCOC[C@H]1NC1CCN(c2ncc3ccc(F)cc3n2)CC1 216920439 JYVXSBIDYGNWDT-QZTJIDSGSA-N 360.433 2.131 70 50 FEIA Cc1ccc(S(=O)(=O)N(C)c2ccc(OS(=O)(=O)F)cc2)cc1 1875374277 IDYQPPMIOARDTM-UHFFFAOYSA-N 359.400 2.413 70 50 FEIA COC(=O)[C@H](C)NC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 218128682 GJSYXLBJKWWOBH-NSHDSACASA-N 374.347 2.233 70 50 FEIA COc1cn(CC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(C)cc1=O 218260259 YCZZMYYCOYXRDU-UHFFFAOYSA-N 358.394 2.369 70 50 FEIA Cc1ccc2[nH]c([C@@H](C)NC(=O)Cc3nc4nc(C)cc(C)n4n3)nc2c1 216939978 GDMCGEYOGSTTPB-CYBMUJFWSA-N 363.425 2.346 70 50 FEIA Cc1nc(C2CCN(C(=O)COc3ncnc4ccccc34)CC2)no1 217128375 ONHYPSKTYBIABP-UHFFFAOYSA-N 353.382 2.106 70 50 FEIA CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2nnc(C(C)C)o2)cc1 218100740 YJBIKTDHEMSABG-LLVKDONJSA-N 366.443 2.446 70 50 FEIA COc1ccc(CNc2c(NCc3ccc4c(c3)OCO4)c(=O)c2=O)cc1 218237844 QTNPKNQVHKITOX-UHFFFAOYSA-N 366.373 2.244 70 50 FEIA COc1ccc(-c2nc(C#N)c(N3CCC(S(=O)(=O)F)CC3)o2)cc1 1857798990 IQYCWZNOGJZIRW-UHFFFAOYSA-N 365.386 2.490 70 50 FEIA CCc1cc(CNC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)on1 218434340 VTZKUBOTNQWCCI-UHFFFAOYSA-N 371.437 2.414 70 50 FEIA Cc1nc(O)nc(C)c1CCC(=O)NCCn1nc(C(F)(F)F)cc1C 218314134 WXWCTJFMUGHACI-UHFFFAOYSA-N 371.363 2.072 70 50 FEIA CCCCc1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)[nH]n1 159962025 IIEJZXSTUMDKRQ-UHFFFAOYSA-N 365.459 2.117 70 50 FEIA CCN(CC)[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C1 159749008 QQDFEEAZMKQSPU-CABCVRRESA-N 365.909 2.439 70 50 FEIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCCc2cccc(F)c21 1875384882 JSAIHYIPKURRJF-UHFFFAOYSA-N 354.334 2.407 70 50 FEIA Cc1cc(N)n(CC(=O)N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)n1 217025472 ZAPSMGNMKFPPPK-UHFFFAOYSA-N 356.405 2.195 70 50 FEIA COc1ccnc(CN2CCn3nc([C@@H](O)c4ccccc4)cc3C2)c1 217143082 QCVSOLALGVQNET-FQEVSTJZSA-N 350.422 2.384 70 50 FEIA CCN1CCN(CC(=O)N[C@H](c2ccncc2)c2ccc(C)cc2)CC1 217785756 SROXCNWVFXHXRH-NRFANRHFSA-N 352.482 2.233 70 50 FEIA COc1cc2cc(C(=O)N[C@H](CO)CCSC)n(C)c2cc1OC 217796290 UNRIXSIPQOXFMT-LBPRGKRZSA-N 352.456 2.039 70 50 FEIA biogenic CC[C@@H](O)c1cc2n(n1)CCCN(Cc1nc3ccsc3c(=O)[nH]1)C2 217069624 SPWVWWUPUZGRQJ-CQSZACIVSA-N 359.455 2.030 70 50 FEIA COC(=O)C[C@H](c1c(O)cc(C)oc1=O)c1coc2ccccc2c1=O 217940798 XIFXXDFOXZIPEE-LBPRGKRZSA-N 356.330 2.455 70 50 FEIA biogenic C[C@@H](NC(=O)c1cccc(OCC(=O)N2CCCCC2)c1)c1cnn(C)c1 217338620 CYJBPRPYFUHOQC-OAHLLOKOSA-N 370.453 2.302 70 50 FEIA O=C(NCCc1nc(C2CC2)no1)[C@H]1CCCCN1C(=O)c1ccccc1 218651891 ZZJVXIXMPLCKNA-MRXNPFEDSA-N 368.437 2.301 70 50 FEIA Cc1nccn1-c1ccc(CNC(=O)c2cc(CC(C)C)[nH]c(=O)n2)cc1 217073092 QAXFHOZJTWHHMI-UHFFFAOYSA-N 365.437 2.393 70 50 FEIA CC[C@@H](C)[C@@H](CO)NC(=O)c1n[nH]c2c1Cc1cc(OC)c(OC)cc1-2 218444891 XLTOHBHEHAQZPC-QMTHXVAHSA-N 359.426 2.135 70 50 FEIA CCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccccc2OC)C1 161009829 CQFUOFYOBKPJLB-RDJZCZTQSA-N 359.470 2.181 70 50 FEIA Cc1oc2c(c1C(=O)NCCc1noc([C@H]3CCCO3)n1)C(=O)CCC2 218759755 WFMQTDLFKXNZJQ-CYBMUJFWSA-N 359.382 2.314 70 50 FEIA CNC(=O)[C@H]1CCCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 160007041 LMVWPLOXUBDUQR-QGZVFWFLSA-N 370.453 2.185 70 50 FEIA COc1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c(F)c1F 218144039 GZQAJBWGLPPLSJ-CHWSQXEVSA-N 364.348 2.335 70 50 FEIA O=C(Cn1ccc(=O)c2ccccc21)Nc1cccc(S(=O)(=O)F)c1 460097916 YEMYOBHRHOFZLX-UHFFFAOYSA-N 360.366 2.298 70 50 FEIA COc1cncc([C@@H](NC(=O)CCc2scnc2C)[C@H]2C[C@H](O)C2)c1 218717864 CSMKSKJLYSNXKW-WRSAYESZSA-N 361.467 2.416 70 50 FEIA CN(C)c1ccc(CCC(=O)N2CCCO[C@H](CN3CCCC3)C2)cc1 217131825 GDWBDPYPYVGUKE-HXUWFJFHSA-N 359.514 2.399 70 50 FEIA COc1ccc(F)cc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 218044407 LYTMEGHWFWDSEN-GDBMZVCRSA-N 366.414 2.395 70 50 FEIA CN(C)[C@@H](C(=O)N1CCC(c2ccnc(N)n2)CC1)c1ccc(F)cc1 217494618 KZJOLRRTAFWXLQ-QGZVFWFLSA-N 357.433 2.207 70 50 FEIA O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1ccccc1OC(F)F 159380116 JSELDFWMOSCNSO-LBPRGKRZSA-N 369.393 2.240 70 50 FEIA O=S(=O)(F)Oc1ccc(CN2CCC(O[C@H]3CCOC3)CC2)cc1 1875387743 VQIURSXSJIMNPV-INIZCTEOSA-N 359.419 2.050 70 50 FEIA C[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)c1cn2ccsc2n1 218040882 QMPJSDTUYMMHGL-LLVKDONJSA-N 353.407 2.366 70 50 FEIA Cn1ccnc1CCNC(=O)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 218402726 NCZUPNNHIZFNAM-GFCCVEGCSA-N 367.375 2.019 70 50 FEIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCC[C@@H]1CN1CCCC1 1875382273 WWHGKGPMLLIEGD-CQSZACIVSA-N 371.434 2.372 70 50 FEIA O=C(COc1ccccc1-n1cnnc1)NCCn1ccc2ccccc21 218613059 HKLZYSIETPVTOW-UHFFFAOYSA-N 361.405 2.417 70 50 FEIA Cc1ccc(-c2ccccc2CN2CCn3nc([C@@H](O)CO)cc3C2)o1 218047503 IZADFZGUMMHEJZ-IBGZPJMESA-N 353.422 2.493 70 50 FEIA CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875384791 INRYNBHBMZUUMW-CQSZACIVSA-N 372.418 2.399 70 50 FEIA Cc1c(F)cccc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1 218562217 LHQQXKFOARARBA-QZTJIDSGSA-N 372.396 2.199 70 50 FEIA CC[C@H](NC(=O)c1ccccc1N1CCOCC1)c1cn2cccnc2n1 217662962 SXXQJDZWEUJMBO-INIZCTEOSA-N 365.437 2.447 70 50 FEIA O=C(c1ccccn1)[C@H]1CCCN(C(=O)COCC(F)(F)C(F)F)C1 218077995 JVCXQSKXOHLWSI-NSHDSACASA-N 362.323 2.420 70 50 FEIA COc1ccc([C@H](NC(=O)CCc2c(C)nn(C)c2C)C2CC(O)C2)cn1 218716253 JTHQFBLQRGNXKG-PMTKGXAQSA-N 372.469 2.002 70 50 FEIA COc1cccc(-n2cc(CNC(=O)COC[C@@H]3CCCCO3)cn2)c1 217070748 SVGCNSIXZMOIMR-SFHVURJKSA-N 359.426 2.083 70 50 FEIA COc1cccc(N2CCN(C(=O)c3n[nH]c(N)c3Cl)CC2(C)C)c1 218142157 SUBFWHKBZFJVQR-UHFFFAOYSA-N 363.849 2.395 70 50 FEIA CC(C)c1noc(C2CCN(C(=O)CSc3nnc(N)s3)CC2)n1 218612761 ALTFYSLTDRJJJM-UHFFFAOYSA-N 368.488 2.125 70 50 FEIA COC(=O)[C@@H](CNC(=O)[C@@H](N)CCSC)Cc1ccc2ccccc2c1 160055617 ZXSTWYJTIOYPDT-MSOLQXFVSA-N 374.506 2.368 70 50 FEIA COC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2nc3ccccc3o2)CC1 218140382 LBWDDNNVKDFKGD-HNNXBMFYSA-N 372.425 2.097 70 50 FEIA Cc1cc(C[C@H](C)NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n[nH]1 161134049 FREUNWSGGNUJOR-YJBOKZPZSA-N 368.481 2.247 70 50 FEIA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCc1nc(-c2ccccc2)cs1 217759823 FVAVJBZUNQLZEF-ZDUSSCGKSA-N 362.476 2.417 70 50 FEIA O=C(CCCn1nnc(-c2ccc(F)cc2)n1)NCCc1cccnc1 216921085 JPNFFGVLLUJLSZ-UHFFFAOYSA-N 354.389 2.013 70 50 FEIA CCc1ccc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)nc1 218202774 SPIVIPGGVLARAP-FQEVSTJZSA-N 366.469 2.062 70 50 FEIA Cc1cccc(Cl)c1OCCN1CCCn2nc([C@@H](O)CO)cc2C1 217214484 FKEZECVGEBMCKM-KRWDZBQOSA-N 365.861 2.155 70 50 FEIA O=C(C[C@H]1C=CS(=O)(=O)C1)NCCc1nc(-c2ccccc2)cs1 217759914 FVAVJBZUNQLZEF-CYBMUJFWSA-N 362.476 2.417 70 50 FEIA CC(C)c1cc(C(=O)NCCCN2CCOCC2)n(-c2ccccc2)n1 218387307 GIFULUMNALVLBV-UHFFFAOYSA-N 356.470 2.448 70 50 FEIA O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 218420221 GWADXTMMHIZZND-UHFFFAOYSA-N 364.287 2.401 70 50 FEIA O=C(CCc1nc2ccccc2s1)N1CCCn2nc(CO)cc2C1 217652647 ONSNTJXAAGEYQP-UHFFFAOYSA-N 356.451 2.350 70 50 FEIA Cc1nccn1CCC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 218738134 KYBOVDKFWCTSLS-ZWOKBUDYSA-N 355.438 2.145 70 50 FEIA O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc(Cn2cccn2)o1 218714552 NEZVJNXETAHIBZ-DEYYWGMASA-N 352.394 2.161 70 50 FEIA COc1ccccc1OCCCN(C)c1cc(C2CC(O)C2)nc(N)n1 218566082 ZFGIVKBLQRBPSY-UHFFFAOYSA-N 358.442 2.211 70 50 FEIA Cc1cnc2c(Cl)c(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@H](O)C3)nn2c1 217988687 FQMUSHARJDTIFO-ZOWXZIJZSA-N 371.828 2.328 70 50 FEIA Cc1ccccc1CSCC(=O)N1CCN(Cc2nccn2C)CC1 217038909 CHZKCGNFCPMJDG-UHFFFAOYSA-N 358.511 2.306 70 50 FEIA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1ccc(F)cc1Cl 217019543 RREAOBDDMCTRCJ-UHFFFAOYSA-N 369.824 2.126 70 50 FEIA CC(=O)N1CC(Nc2ccc(F)c(C(=O)Nc3cccnc3)c2)=CC1=O 218466207 KEXYTJZJKYVXIC-UHFFFAOYSA-N 354.341 2.158 70 50 FEIA O=C(Cc1cncs1)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1 217007916 GFQVQGYRKKJEMZ-LJQANCHMSA-N 368.462 2.396 70 50 FEIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)CCc1ccncc1 218149001 ADTQUGDAAOKCNI-QZTJIDSGSA-N 359.426 2.110 70 50 FEIA CC1(C)C[C@](CCNC(=O)CN2CCOC2=O)(c2ccccc2)CCO1 218722052 GTQCFCCAHXNVEC-HXUWFJFHSA-N 360.454 2.472 70 50 FEIA COC(=O)c1sccc1Nc1c(NC[C@H]2C[C@H]3C=C[C@H]2C3)c(=O)c1=O 218191369 IECXFVPZDPUZRT-GARJFASQSA-N 358.419 2.498 70 50 FEIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Cl)cn1 218613447 PNRNIQAXVYTCLC-GDBMZVCRSA-N 365.817 2.444 70 50 FEIA O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1ccc2[nH]nnc2c1 218175896 OPPJRBAJVKHSKZ-SJORKVTESA-N 356.357 2.063 70 50 FEIA CN(Cc1ccc2ncccc2c1)C(=O)c1sccc1S(N)(=O)=O 217133076 YSDQEIJGVFCURJ-UHFFFAOYSA-N 361.448 2.216 70 50 FEIA COC(=O)N1CCCC[C@H]1C(=O)NCCc1nccc(-c2ccccc2)n1 218231454 AWICTIAWJQKJEN-KRWDZBQOSA-N 368.437 2.423 70 50 FEIA CCc1nc(C)ccc1OCC(=O)NCCc1noc(C(F)(F)F)n1 217134821 PSIJSSJRTWLXHB-UHFFFAOYSA-N 358.320 2.092 70 50 FEIA CC[C@H](O)c1cc2n(n1)CCCN(Cc1nc3ccsc3c(=O)[nH]1)C2 217069653 SPWVWWUPUZGRQJ-AWEZNQCLSA-N 359.455 2.030 70 50 FEIA CN1CCCN(CC(=O)NCc2nc(-c3ccc(F)cc3)cs2)CC1 218277170 KVKPFOOSGOHKHC-UHFFFAOYSA-N 362.474 2.203 70 50 FEIA CC1(C)C[C@@](CCNC(=O)CCn2cnnn2)(c2ccccc2)CCO1 218035777 GKKCTLXSIFVJFJ-IBGZPJMESA-N 357.458 2.097 70 50 FEIA Cc1ccc(N(CC(=O)N(C)CC[C@H]2CCCCO2)S(C)(=O)=O)cc1 217913714 RCORVLSUMKIEKO-QGZVFWFLSA-N 368.499 2.179 70 50 FEIA O=C(CCc1nc2ccccc2[nH]1)N1CCCO[C@H](Cn2cccn2)C1 217796260 ABKMMYJAIGTMAL-HNNXBMFYSA-N 353.426 2.010 70 50 FEIA CC1CCN(C(=O)COc2ccccc2CN2CCN(C)[C@@H](C)C2)CC1 216947846 XAYCMRRSNOURBX-SFHVURJKSA-N 359.514 2.460 70 50 FEIA O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cnc(C2CC2)nc1 218747625 WERADELTGADVFP-SJORKVTESA-N 357.385 2.459 70 50 FEIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)Cc1cnc2c(C)cccn12 218025071 NXJKUHXEEHHYQM-QZTJIDSGSA-N 357.454 2.442 70 50 FEIA O=C1CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1 100543403 GNAVAQXUNJPBEW-UHFFFAOYSA-N 359.365 2.199 70 50 FEIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC(=O)N(Cc2ccco2)C1 217824974 MNDPSUHKETTYPN-XYJFISCASA-N 359.470 2.009 70 50 FEIA biogenic CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)COc1ccc(C(C)=O)cc1)C2 216663970 XNDZMMWZHIKOOO-SJORKVTESA-N 358.438 2.127 70 50 FEIA COc1ccc2ncc(C(=O)N[C@@H](C)c3nnc4ccccn34)c(O)c2c1 218250754 OLVQVVHJPJDUON-NSHDSACASA-N 363.377 2.483 70 50 FEIA O=C(N[C@H](CO)c1ccccc1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 218278525 JUKGOOPAXFBPIB-MRXNPFEDSA-N 365.389 2.311 70 50 FEIA CN1CCN(C)[C@@H](CC(=O)N(Cc2ccc(F)cc2)Cc2ccccn2)C1 217387767 RFYOCGSBDKRRAN-FQEVSTJZSA-N 370.472 2.385 70 50 FEIA C[C@@H](Sc1ccccn1)C(=O)NCCc1nc2ccccc2c(=O)[nH]1 218132976 JOPZREHQVFYGNS-GFCCVEGCSA-N 354.435 2.158 70 50 FEIA CC(C)C[C@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccnc1 218021716 CYHGUDPIHKGTPC-HNNXBMFYSA-N 352.394 2.129 70 50 FEIA OC[C@@H](O)c1cc2n(n1)CCN(Cc1ccccc1OC1CCCC1)C2 217435814 UNYRQEQMMSLIDJ-LJQANCHMSA-N 357.454 2.246 70 50 FEIA O=C(COc1ccc(-n2cnnn2)cc1)N1CCCC[C@H]1c1ccccn1 217155468 FIXXBOCYWPFXQU-SFHVURJKSA-N 364.409 2.190 70 50 FEIA C[C@H](NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)c1cn2ccsc2n1 218040964 QMPJSDTUYMMHGL-NSHDSACASA-N 353.407 2.366 70 50 FEIA NS(=O)(=O)c1ccc(CCNC(=O)Nc2c(F)cccc2Cl)cc1 217313262 NCZGXYJHMQFRJD-UHFFFAOYSA-N 371.821 2.491 70 50 FEIA C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1noc(C2CCCCC2)n1 159415498 XLHGKZBQVYIDRA-LBPRGKRZSA-N 369.487 2.479 70 50 FEIA COc1cc(C(=O)N2CCn3nc([C@H](C)O)cc3C2)c2ccccc2n1 217179620 RSUYZNYPNVQHHV-LBPRGKRZSA-N 352.394 2.149 70 50 FEIA O=C(c1nnc2n1CCCCC2)N1CCC([C@@H](O)Cc2ccccc2)CC1 217817424 OBPYDORNXXYJPZ-SFHVURJKSA-N 368.481 2.460 70 50 FEIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cccc(Oc3ncccn3)c2)o1 218161438 JUAVWVLVNBFKNW-AWEZNQCLSA-N 367.361 2.243 70 50 FEIA CCN(CC)CCOc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1 160981771 TZKAGZCDBRECSO-HNNXBMFYSA-N 372.473 2.135 70 50 FEIA CNC[C@H]1CCCN1C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 161320807 LVCJYBNYTBRLNG-CYBMUJFWSA-N 365.384 2.001 70 50 FEIA CN(C[C@H]1CCCO1)C(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F 160881097 NUBBKZWYHVMVBM-LLVKDONJSA-N 357.332 2.143 70 50 FEIA CN(CCc1ccccn1)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875387343 CLFUVAVAQTVLAY-UHFFFAOYSA-N 353.375 2.381 70 50 FEIA Cn1cc(CCC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)cn1 216710645 RHKXDUNATMDPND-MOPGFXCFSA-N 366.465 2.002 70 50 FEIA O=C(c1nnc2n1CCCCC2)N1CCC([C@H](O)Cc2ccccc2)CC1 217817506 OBPYDORNXXYJPZ-GOSISDBHSA-N 368.481 2.460 70 50 FEIA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1ccc3c(c1)OCO3)C2 217886115 CECGSTFYNPHSJQ-INIZCTEOSA-N 357.410 2.030 70 50 FEIA Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)F)cc1 864242029 SQZMLOYTSITFMD-HNNXBMFYSA-N 351.403 2.446 70 50 FEIA Nc1nnc(CCCNC(=O)[C@H]2CCCCN2Cc2ccccc2)s1 218645179 RUXTZAZXBZMBTK-OAHLLOKOSA-N 359.499 2.224 70 50 FEIA C[C@@H](CC(=O)N[C@@H](CC(N)=O)C1CCOCC1)c1ccc(F)cc1F 160281688 WANAARDITMRULL-ZBEGNZNMSA-N 354.397 2.245 70 50 FEIA Cn1cc([C@H](NC2CCN(Cc3ccccc3)CC2)[C@H]2C[C@H](O)C2)cn1 218031072 FOFBPZUPFAFCPN-JRGCBEDISA-N 354.498 2.486 70 50 FEIA COc1ccccc1CCNC(=O)Cn1cc(-c2ccccc2)ncc1=O 218124600 IYGRKTTVSUQAMW-UHFFFAOYSA-N 363.417 2.278 70 50 FEIA COc1ccc2c(c1)CCc1c(C(=O)N[C@H](CO)CCSC)n[nH]c1-2 218475178 YOZDKFUOIKXYPX-LBPRGKRZSA-N 361.467 2.028 70 50 FEIA O=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)c1ncoc1C1CC1 218072225 CGAFTMUAFQJWRI-HZPDHXFCSA-N 358.394 2.011 70 50 FEIA Cc1nc(O)cc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)n1 218375235 POYBVHVWYXOXJV-HXUWFJFHSA-N 365.437 2.175 70 50 FEIA O=C(c1nc(=O)[nH]c2ccccc12)N1CCC(CCn2cccn2)CC1 218371072 XPJDNLBZERAMPQ-UHFFFAOYSA-N 351.410 2.062 70 50 FEIA OC[C@H](O)c1cc2n(n1)CCN(Cc1cccc(OC3CCCC3)c1)C2 218537061 LGOSUKZPFFMPDU-FQEVSTJZSA-N 357.454 2.246 70 50 FEIA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCO[C@@H](Cn2cccn2)C1 217206432 FUOUYRAYQVYFEC-CQSZACIVSA-N 357.439 2.266 70 50 FEIA COc1cccc(SCC(=O)N2CCC(N3CCOCC3)CC2)c1 218267956 YYFSUPWSMWUVRU-UHFFFAOYSA-N 350.484 2.111 70 50 FEIA CC1(C)OC(=O)C[C@@H]1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 218461579 UICNCLVQNXKCIP-CQSZACIVSA-N 351.830 2.492 70 50 FEIA CCn1nc(C)c(-c2cc(C(=O)Nc3n[nH]c(C(F)(F)F)n3)[nH]n2)c1C 218520407 QUFYCONWDPGAAU-UHFFFAOYSA-N 368.323 2.299 70 50 FEIA COc1ccc2[nH]cc(CCNC(=O)CNc3nc(C)cc(C)n3)c2c1 218401241 ATOBEHQYUNDEFE-UHFFFAOYSA-N 353.426 2.354 70 50 FEIA CCn1ccc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)cc1=O 218635725 YADYLOVHOXBSML-HNJRGHQBSA-N 352.434 2.244 70 50 FEIA CCN(CC)[C@H]1CCN(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)C1 1875382754 PBJKJJXBBQLTMP-ZDUSSCGKSA-N 359.423 2.228 70 50 FEIA Cn1cccc1C(=O)C(=O)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 218383031 FGJZSODCOHHKHA-CQSZACIVSA-N 365.393 2.059 70 50 FEIA COCC1(C(=O)N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)CCC1 217793517 HTHMXXKJTJWIKV-SFHVURJKSA-N 355.438 2.124 70 50 FEIA O=C(Cn1cnc2ccsc2c1=O)Nc1n[nH]c(CCC2CCCC2)n1 218207796 FEFJRQYUHGPWMN-UHFFFAOYSA-N 372.454 2.338 70 50 FEIA CCc1cc(N2CCN(C(=O)[C@@H]3Cc4cc(C)ccc4N3)CC2)ncn1 218281126 KVCLGTQPTSMYNA-SFHVURJKSA-N 351.454 2.033 70 50 FEIA COc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1C(=O)Nc1cccnc1 218562351 HXVNFUYKULMMTC-UHFFFAOYSA-N 366.377 2.027 70 50 FEIA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CC[C@@H]3CNC[C@@H]32)c1 216687300 YZNHVNDAUBUYEX-KDOFPFPSSA-N 358.438 2.086 70 50 FEIA COc1ccc2cc([C@@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)n(C)c2c1 218002285 VPZBBHNUHVGZLL-ZDUSSCGKSA-N 367.357 2.250 70 50 FEIA biogenic COC(=O)C[C@@H](c1c(O)cc(C)oc1=O)c1coc2ccccc2c1=O 217940873 XIFXXDFOXZIPEE-GFCCVEGCSA-N 356.330 2.455 70 50 FEIA biogenic COc1ccc(C(=O)N[C@H](CO)Cc2ccccc2)cc1-n1cccn1 218175422 VPYVLTSLHKAAOE-KRWDZBQOSA-N 351.406 2.214 70 50 FEIA COc1ccc2[nH]c(C(=O)N[C@H]3CCCN(c4cnccn4)C3)cc2c1 217116916 PLDJHXZPSZRZED-AWEZNQCLSA-N 351.410 2.365 70 50 FEIA Cc1cc2ccccc2n1CCC(=O)N1CCCn2nc(CO)cc2C1 217719215 UBNQLZOQUDVDKB-UHFFFAOYSA-N 352.438 2.461 70 50 FEIA Cc1ccc2oc(=O)n(CCC(=O)N3CCC[C@@H](c4nc(C)n[nH]4)C3)c2c1 218719240 JWWBANZIFIABNZ-CQSZACIVSA-N 369.425 2.126 70 50 FEIA O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCC(n2cnnc2)CC1 217209316 GLIKBLYGYGTEGS-IBGZPJMESA-N 353.470 2.496 70 50 FEIA COc1ccc2c(ccn2CCNC(=O)CNc2nc(C)cc(C)n2)c1 218424863 KXTAXIBMSXEHHR-UHFFFAOYSA-N 353.426 2.285 70 50 FEIA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1nc2cccnc2[nH]1 218616213 BUMMGKCVQSJXQC-CVEARBPZSA-N 352.394 2.062 70 50 FEIA O=C(NCc1cnn2cccnc12)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 218395452 YGPJNIGBNYLVHA-LBPRGKRZSA-N 369.812 2.052 70 50 FEIA COc1ccccc1-n1cc(CNC(=O)[C@H](O)c2ccccc2F)cn1 216997535 ANRRFVKWSIMADE-GOSISDBHSA-N 355.369 2.370 70 50 FEIA O=C(NCc1nc(-c2cnccn2)n[nH]1)c1csc(-c2cccs2)n1 217177320 LRJGWKBSMFOUFH-UHFFFAOYSA-N 369.435 2.377 70 50 FEIA CCN1CCC[C@H]1CNC(=O)c1n[nH]c2c1CCc1cc(OC)ccc1-2 218462469 YCLNEUWGMGCQER-AWEZNQCLSA-N 354.454 2.398 70 50 FEIA O=C1NC[C@]2(CCCN(C(=O)CN3CCC(c4ccccc4)CC3)CC2)O1 217149410 HBZHONHDONPDKA-OAQYLSRUSA-N 371.481 2.357 70 50 FEIA COc1ccc2cc([C@@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)[nH]c2c1 218117118 USKMARSMBDFZLD-LBPRGKRZSA-N 353.330 2.239 70 50 FEIA biogenic CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1ccc3c(c1)OCO3)C2 217886031 CECGSTFYNPHSJQ-MRXNPFEDSA-N 357.410 2.030 70 50 FEIA Cc1nc(CC(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)c(C)s1 161314047 ZWYIPRNKLDDYCF-UHFFFAOYSA-N 366.464 2.132 70 50 FEIA O=C(NCCc1noc([C@@H]2CCCO2)n1)c1cnc(-c2cccs2)nc1 218571801 AQDKLUBSQJGRIJ-LBPRGKRZSA-N 371.422 2.412 70 50 FEIA O=C(c1cnc2ccccc2c1O)N1CCN(CCc2ccccn2)CC1 218301062 ANEAZJKUONXIIQ-UHFFFAOYSA-N 362.433 2.336 70 50 FEIA COC[C@@H](O)CNC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 159501540 MMZYUGWCQXNLBR-KRWDZBQOSA-N 367.405 2.449 70 50 FEIA O=C(NCCc1nc(C2CC2)no1)[C@@H]1CCCCN1C(=O)c1ccccc1 218651822 ZZJVXIXMPLCKNA-INIZCTEOSA-N 368.437 2.301 70 50 FEIA Cc1nc(-c2ccc(CNC(=O)c3cc(CC(C)C)[nH]c(=O)n3)cc2)no1 218638947 MMAIMCCCWZZEOD-UHFFFAOYSA-N 367.409 2.257 70 50 FEIA COc1cn(CC(=O)NCCn2ccc3ccc(F)cc32)c(C)cc1=O 218196439 NTNRZBQSYFLXHH-UHFFFAOYSA-N 357.385 2.076 70 50 FEIA Cc1ccccc1N1CCC(N[C@@H]2CCOC[C@H]2OCCN(C)C)CC1 218217110 LYBCIXNJONRUPV-TZIWHRDSSA-N 361.530 2.289 70 50 FEIA Cc1cc(=O)[nH]c(NCCNC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 218475284 QSZQCKSRSPHFQF-UHFFFAOYSA-N 360.845 2.382 70 50 FEIA O=C(Nc1ccc(N2CCOC2=O)cc1)N1CCCN(CC(F)F)CC1 159844801 YSQQBZLQQUCNRB-UHFFFAOYSA-N 368.384 2.448 70 50 FEIA COc1ccc(OC2CCN(C(=O)c3n[nH]c(N)c3Cl)CC2)cc1 217831950 KEVYGTFGKGMZIT-UHFFFAOYSA-N 350.806 2.338 70 50 FEIA Cc1cccc(Cl)c1S(=O)(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 218715910 MRGOWGUIBIPBCG-ABIUDSBCSA-N 369.874 2.172 70 50 FEIA O=C(CCc1ccc(F)cc1F)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 218314244 HBOIAVYVKYZUSL-ZWQIFLOQSA-N 350.409 2.265 70 50 FEIA CC(C)c1nnc([C@@H](C)NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)o1 218034132 SAEZPLSIALFXRF-CYBMUJFWSA-N 372.425 2.156 70 50 FEIA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(SCCO)cc1 218507633 FNYVFWAYSWKTOQ-KRWDZBQOSA-N 364.511 2.144 70 50 FEIA Cn1cc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)c2ccccc21 217004267 ZTOOUFXLFKTFNQ-UHFFFAOYSA-N 360.421 2.183 70 50 FEIA CC[C@@]1(C(N)=O)CCCN(C(=O)C2(c3ccccc3)CCN(C)CC2)C1 217792358 CFRJNTANSGNYIE-HXUWFJFHSA-N 357.498 2.154 70 50 FEIA CC(C)c1nc(-c2ccc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)cc2)no1 218421575 LCMNXWOWGHNYBI-YYIAUSFCSA-N 370.453 2.307 70 50 FEIA CC(=O)NC1CCC(NCc2cccc(CN3CCO[C@H](C)C3)c2)CC1 161361573 ZGANKQZLBBXFLM-YMTQGWHGSA-N 359.514 2.444 70 50 FEIA O=C(NCCN1CCC(O)CC1)c1ccccc1OCc1ccccc1 218434044 GKXMOGHBQBAVGV-UHFFFAOYSA-N 354.450 2.452 70 50 FEIA COc1cccc2c1OCCCN(c1cc(C3CC(O)C3)nc(N)n1)C2 218060396 KQIZALABJZPQQY-UHFFFAOYSA-N 356.426 2.095 70 50 FEIA COc1ccc(-c2cc(C(=O)Nc3nnc(C(F)(F)F)[nH]3)[nH]n2)cc1 160804673 FXTGJSUQVAWMKE-UHFFFAOYSA-N 352.276 2.475 70 50 FEIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCO[C@@H](C(F)(F)F)C1 1875382876 VEDXRTFIODZSOS-SNVBAGLBSA-N 372.296 2.075 70 50 FEIA C[C@H](Sc1ccccn1)C(=O)NCCc1nc2ccccc2c(=O)[nH]1 218133056 JOPZREHQVFYGNS-LBPRGKRZSA-N 354.435 2.158 70 50 FEIA Cc1ccnc(SCC(=O)N2CCC[C@@H](OCc3ccccn3)C2)n1 218515675 JKEBMQHCSLYOIJ-MRXNPFEDSA-N 358.467 2.480 70 50 FEIA CCCCc1nc(CN2CCCn3nc([C@@H](O)CO)cc3C2)c(Cl)[nH]1 217927194 YGHVPWVFOYSZLH-HNNXBMFYSA-N 367.881 2.034 70 50 FEIA COc1ccccc1CCC(=O)NCc1csc(N2CCOCC2)n1 217990238 AJZXVYNKCWRQLY-UHFFFAOYSA-N 361.467 2.237 70 50 FEIA Cc1ccc(N(CC(=O)N(C)CC[C@@H]2CCCCO2)S(C)(=O)=O)cc1 217913613 RCORVLSUMKIEKO-KRWDZBQOSA-N 368.499 2.179 70 50 FEIA Cc1cccc2[nH]c(COCC(=O)N[C@H]3CCOC4(CCOCC4)C3)nc12 218389957 LSNKXALKKLYAEV-HNNXBMFYSA-N 373.453 2.232 70 50 FEIA COc1ccccc1N1CCN(C(=O)c2cc(Cl)c[nH]c2=O)[C@@H](C)C1 217729881 HQSFPIOTEPRJSS-LBPRGKRZSA-N 361.829 2.388 70 50 FEIA CC(C)Cc1cc(C(=O)N2CCCN(Cc3ccncc3)CC2)nc(N)n1 217951208 AOCWVWNWAHEIRB-UHFFFAOYSA-N 368.485 2.000 70 50 FEIA O=C(CCNC(=O)c1ccccc1F)NCC[C@@H]1COc2ccccc2O1 217158572 HNZNRUZMIIAWCW-CQSZACIVSA-N 372.396 2.292 70 50 FEIA Cc1nc(O)nc(C)c1CCC(=O)NCCc1noc(C2CCCC2)n1 217626527 LTZUJXGHCMQFFQ-UHFFFAOYSA-N 359.430 2.131 70 50 FEIA COc1ccc([C@H](NC(=O)c2cccc(NC(C)=O)c2)C2CC(O)C2)cn1 218732185 DCFVVUGHVYIHAW-KVWWFHCMSA-N 369.421 2.291 70 50 FEIA CCc1cc(C(=O)N[C@H]2C[C@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)cs1 218169553 QQVAWNQSWHGBAL-VHDGCEQUSA-N 372.494 2.348 70 50 FEIA Cc1cc(C)nc(NCC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)n1 218240153 XFSWYVYXGAJWTA-UHFFFAOYSA-N 363.462 2.021 70 50 FEIA Cc1ccc2[nH]c([C@H](C)NC(=O)c3sccc3S(N)(=O)=O)nc2c1 217139109 RQCIMIOCXMEDKG-VIFPVBQESA-N 364.452 2.071 70 50 FEIA CN(C(=O)CS(=O)(=O)C1CCOCC1)[C@H]1CCCc2ccccc21 160074039 MSURFDXZBKCCQZ-KRWDZBQOSA-N 351.468 2.116 70 50 FEIA CCN1CCC(N(C)C(=O)Cc2cc(OC)c(OC)cc2C(C)=O)CC1 218724938 MOFFBNGASCNJNI-UHFFFAOYSA-N 362.470 2.392 70 50 FEIA Cc1cc(C(=O)N2CCn3nc([C@H](O)c4ccccc4)cc3C2)nc(C)n1 218673137 GNHBTTIVLITUMD-LJQANCHMSA-N 363.421 2.028 70 50 FEIA Cn1ccnc1CCNC(=O)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 218402800 NCZUPNNHIZFNAM-LBPRGKRZSA-N 367.375 2.019 70 50 FEIA O=C(NCCc1noc([C@H]2CCCO2)n1)c1cc(-c2ccsc2)n[nH]1 217504607 SDDVKSVKQWGUBF-CYBMUJFWSA-N 359.411 2.345 70 50 FEIA O=C(CCC(=O)c1ccccc1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 218518526 SQHOMUNUBCNQPU-SJLPKXTDSA-N 354.406 2.397 70 50 FEIA Cc1ccc(S(=O)(=O)Nc2ccc(OS(=O)(=O)F)cc2)s1 1875389956 WCMCASRMRGSQRV-UHFFFAOYSA-N 351.402 2.450 70 50 FEIA CN1CCN(C[C@H]2CCCN(C(=O)c3ccccc3N3CCCC3)C2)CC1 217097512 ORQOYZQFMYFAAZ-LJQANCHMSA-N 370.541 2.386 70 50 FEIA O=C([C@H]1CCCCN1Cc1ccccc1)N1CCC(n2cnnc2)CC1 217209323 GLIKBLYGYGTEGS-LJQANCHMSA-N 353.470 2.496 70 50 FEIA CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 160006898 LMVWPLOXUBDUQR-KRWDZBQOSA-N 370.453 2.185 70 50 FEIA O=C(NCCn1ccc2ccccc21)[C@H](Cc1ccccc1)n1cnnn1 218361875 AQXGFGUMXLCAGF-IBGZPJMESA-N 360.421 2.228 70 50 FEIA O=C(NCCOc1cccc(Cl)c1)c1cncc(OS(=O)(=O)F)c1 1875385603 XHOQIGIZAWNOSP-UHFFFAOYSA-N 374.777 2.137 70 50 FEIA CC[C@H](O)c1cc2n(n1)CCCN(CCn1c(=O)oc3ccccc31)C2 216927004 RAXUTHQXMQRYDC-KRWDZBQOSA-N 356.426 2.140 70 50 FEIA NC1CC(c2cc(N3CCN(Cc4cccnc4)CC3)nc(C3CC3)n2)C1 218222753 CEKRUOXSNLFWBG-UHFFFAOYSA-N 364.497 2.276 70 50 FEIA O=C(CCN1C(=O)CC2(CCCC2)C1=O)NCCn1ccc2ccccc21 218159003 GNIQWHJHMSVBIJ-UHFFFAOYSA-N 367.449 2.467 70 50 FEIA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2scc3c2CCCC3)C1 218661862 STIHLSMEHSLJGY-BETUJISGSA-N 360.483 2.407 70 50 FEIA Cc1cc(C(=O)N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)nc(C)n1 218673060 GNHBTTIVLITUMD-IBGZPJMESA-N 363.421 2.028 70 50 FEIA O=C(NCCN1CCc2ccccc2C1)Nc1ccnn1C[C@@H]1CCOC1 159845485 VAQYETOGHQTQMY-INIZCTEOSA-N 369.469 2.099 70 50 FEIA O=S(=O)(N1CCCCC1)N(Cc1cccc(O)c1)C1CCC(O)CC1 160713805 UFOBDNPGUITCLF-UHFFFAOYSA-N 368.499 2.228 70 50 FEIA C[C@@H](CC1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1)C(=O)O 2325893158 XPTAYTOICCTSIG-NSHDSACASA-N 357.403 2.308 70 50 FEIA Cc1cnc(C)c(N2CCN(C(=O)[C@@H](C)Sc3ccccn3)CC2)n1 218596499 RJSMFNVYNLHWPA-OAHLLOKOSA-N 357.483 2.318 70 50 FEIA O=C(N1CCC[C@H](c2ccncn2)C1)C1(N2CCOCC2)CCCCC1 217180325 KCHDZBVOGKTZFU-KRWDZBQOSA-N 358.486 2.218 70 50 FEIA Cc1ccc2[nH]c(SCC(=O)N3CCC(n4cnnc4)CC3)nc2c1 217568167 AWTYHFYNCXHWDE-UHFFFAOYSA-N 356.455 2.419 70 50 FEIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(O)c(Cl)c1 217683222 IPVXBPVMWLRVFM-SECBINFHSA-N 363.753 2.352 70 50 FEIA biogenic COc1ccccc1N1CCN(C(=O)c2cc(Cl)c[nH]c2=O)[C@H](C)C1 217729967 HQSFPIOTEPRJSS-GFCCVEGCSA-N 361.829 2.388 70 50 FEIA Cc1ccc(O)c(CN2CCn3nc([C@@H](O)c4ccccc4)cc3C2)n1 217697045 AXFKFQKIYVIVPA-FQEVSTJZSA-N 350.422 2.390 70 50 FEIA O=C(Cn1cnc2ccsc2c1=O)N1CCO[C@H](c2ccccc2)C1 218394709 QHVDFJCJAOSDLT-HNNXBMFYSA-N 355.419 2.058 70 50 FEIA CCCCCOC(=O)[C@H]1[C@@H]2C(=O)N(CCCOC(C)C)C[C@@]23C=C[C@H]1O3 217644374 RFMPETSDZRKPCC-VIPLHTEESA-N 365.470 2.317 70 50 FEIA O=C([C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)N1CCc2n[nH]cc2C1 218249030 LQHFPZCUHKKQBW-NSHDSACASA-N 365.359 2.235 70 50 FEIA CSCC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 218414780 YXDLWZRGULXFMT-MNOVXSKESA-N 374.865 2.062 70 50 FEIA CC1(C)C[C@](CCNC(=O)Cc2cnc[nH]c2=O)(c2ccccc2)CCO1 216996990 UHLGYUUDQCZLOQ-OAQYLSRUSA-N 369.465 2.346 70 50 FEIA CN1CCN(c2ccc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2)CC1 218424447 PGMAKFYVHPCDTD-RXVVDRJESA-N 357.498 2.206 70 50 FEIA Cn1ccnc1[C@@H](NC(=O)CCN1CCCCCC1=O)c1ccccc1 217361965 LKRUVLDUYVWEGO-IBGZPJMESA-N 354.454 2.418 70 50 FEIA Cc1cccc(N2CCN(CC(=O)N[C@@H](C)Cc3cccnc3)CC2)c1 217943356 ASYVLEFJIJZEEW-SFHVURJKSA-N 352.482 2.259 70 50 FEIA Cc1ccc2c(ccn2CCNC(=O)C2(n3cnnn3)CCCCC2)c1 218234636 RCZCXHJDHAOXAA-UHFFFAOYSA-N 352.442 2.412 70 50 FEIA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccccc1 218332817 UAXVAEDFDYUCCX-UHFFFAOYSA-N 371.462 2.372 70 50 FEIA COC(=O)C[C@H](c1cc2ccc(C)cc2[nH]c1=O)c1c(O)cc(C)oc1=O 218124228 JOVXVMCABRVTIF-CYBMUJFWSA-N 369.373 2.499 70 50 FEIA biogenic Cc1c[nH]nc1C1CCN(Cc2nnc([C@H]3C[C@H](N)C3)n2C2CC2)CC1 218734662 VKEVMTZEODARBT-GASCZTMLSA-N 355.490 2.229 70 50 FEIA O=C(N[C@H]1CCCN(c2cnccn2)C1)c1ccc(N2CCCC2)cc1 217753968 OCMVQZDMFIXVIK-KRWDZBQOSA-N 351.454 2.476 70 50 FEIA O=C(Cn1nnc(-c2ccccc2)n1)N1CCOc2ccc(Cl)cc2C1 217179596 BKBWCSAZGZZGQS-UHFFFAOYSA-N 369.812 2.415 70 50 FEIA Cc1cccc(-c2noc(CCC(=O)NCCCn3ccccc3=O)n2)c1 218298359 PYFZNIXQMNVNMS-UHFFFAOYSA-N 366.421 2.346 70 50 FEIA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2CCCOCc1ccccc1 216936401 GNNLUGAEKYMMAQ-UXHICEINSA-N 359.514 2.078 70 50 FEIA COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(F)c1)CC2 160719150 RNQOJHZQRNSMBU-JKSUJKDBSA-N 373.432 2.425 70 50 FEIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cc3c(cc1C)OCCO3)C2 217627733 JDBDSMXSNQYSLP-MRXNPFEDSA-N 357.410 2.062 70 50 FEIA O=C(CN1CCC(c2ccccc2)CC1)NCCc1nc(C2CC2)no1 217079376 PZODYRDSYKYDED-UHFFFAOYSA-N 354.454 2.485 70 50 FEIA NC(=O)c1ccc(-c2nc3c([nH]2)CCN(C(=O)CCC(F)(F)F)C3)cc1 218155751 OTFFFYWQYWIBBX-UHFFFAOYSA-N 366.343 2.403 70 50 FEIA Cc1ccc(O)c(CN2CCn3nc([C@H](O)c4ccccc4)cc3C2)n1 217697135 AXFKFQKIYVIVPA-HXUWFJFHSA-N 350.422 2.390 70 50 FEIA COc1ccc([C@@H](O)C(=O)N(C)Cc2cc(-c3ccccn3)no2)cc1 218080662 QBRAVCCGXWQGBC-GOSISDBHSA-N 353.378 2.437 70 50 FEIA COc1cccc(SCC(=O)NCCn2ncc3ccccc3c2=O)c1 218417518 JCMASQIEJGOXIE-UHFFFAOYSA-N 369.446 2.314 70 50 FEIA COCCn1c(C)cc(C)c(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1=O 218263506 DVLJMVIXKHUQKE-UHFFFAOYSA-N 367.409 2.149 70 50 FEIA CCc1c(C)nn(CC(=O)NC[C@H]2CCCN(c3ccccn3)C2)c1C 218140559 GHZUIFGAPVWLPZ-QGZVFWFLSA-N 355.486 2.490 70 50 FEIA CCNS(=O)(=O)c1ccc2c(c1)N(Cc1cnc3ccccn13)CC2 160613404 BAHUUMKZEUOYFV-UHFFFAOYSA-N 356.451 2.195 70 50 FEIA CC[C@@H](O)c1cc2n(n1)CCCN(c1ncc(F)c(N3CCCC3)n1)C2 217388223 GSTACBSTEKSILR-MRXNPFEDSA-N 360.437 2.266 70 50 FEIA O[C@@H](c1ccccc1)c1cc2n(n1)CCN(Cc1noc(C3CC3)n1)C2 217065273 IYFQKADEOLVDJK-SFHVURJKSA-N 351.410 2.241 70 50 FEIA O=C(NC1CC1)c1ccnc(N[C@@H]2COCC[C@H]2Oc2ccccn2)c1 218221469 NKCCNGKXFCIJDX-HZPDHXFCSA-N 354.410 2.017 70 50 FEIA COc1cccc2c1CCc1c(C(=O)N[C@H](CO)CCSC)n[nH]c1-2 218533471 KIANGUAOQXILBC-NSHDSACASA-N 361.467 2.028 70 50 FEIA CCc1nc(C)c(CC(=O)N(C)Cc2ccc3ncccc3c2)c(=O)[nH]1 217515137 WHBMFRQDJCRKJT-UHFFFAOYSA-N 350.422 2.390 70 50 FEIA Cn1cnc(S(=O)(=O)Nc2cccc3cc(S(=O)(=O)F)ccc23)c1 1875387965 HFKQUJSHRUHHQW-UHFFFAOYSA-N 369.399 2.032 70 50 FEIA O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1ccc(N2CCCC2)cc1 217753871 OCMVQZDMFIXVIK-QGZVFWFLSA-N 351.454 2.476 70 50 FEIA O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1ccccn1 218277965 ZZCICXMOLIJMNL-AWEZNQCLSA-N 356.357 2.060 70 50 FEIA CCCn1cc(NC(=O)CCCc2nnc3ccc(OC)nn23)c(C)n1 218483978 LXQHFEPESPJLFO-UHFFFAOYSA-N 357.418 2.009 70 50 FEIA CCc1nc(C)ccc1OCC(=O)N1CCCn2nc([C@@H](C)O)cc2C1 216955412 GUHQDDGCFIOVTB-CQSZACIVSA-N 358.442 2.014 70 50 FEIA O=C(NCCc1cn[nH]c1)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 218770784 KCKHBYLDSHHMIP-GFCCVEGCSA-N 353.348 2.009 70 50 FEIA O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCCNCC1 160843450 JSEATNHUMHNWRY-UHFFFAOYSA-N 350.772 2.378 70 50 FEIA Cc1[nH]c2ccc(C(=O)N[C@@H]3CCOC[C@H]3OCCN(C)C)cc2c1C 218741824 BZIQYZROAXGREH-RTBURBONSA-N 359.470 2.250 70 50 FEIA O=C(c1ccc(N2CCCCC2)cc1)N1CCCn2nc(CO)cc2C1 217429728 XASRMCYBELTHSM-UHFFFAOYSA-N 354.454 2.412 70 50 FEIA CC1(C)OC(=O)C[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 218518429 QICGNVXXGOKOJL-GFCCVEGCSA-N 371.359 2.091 70 50 FEIA O=C(NCCN1CCCOC1=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 218309020 FCDYGMBTJWZDJC-QGZVFWFLSA-N 363.433 2.311 70 50 FEIA O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cc2c([nH]c1=O)CCC2 218246596 HCHGHWCSVXIZEE-SFHVURJKSA-N 363.421 2.017 70 50 FEIA C[C@H](CC(=O)Nc1ccc(OS(=O)(=O)F)cc1)NC(=O)C1CCCC1 1875387933 FZBZVLQKTWXPLI-LLVKDONJSA-N 372.418 2.303 70 50 FEIA Cc1n[nH]c(C)c1CCNC(=O)CCCc1nc(-c2ccncc2)no1 218082177 GVCZBRKXYUZRKU-UHFFFAOYSA-N 354.414 2.153 70 50 FEIA Cn1nc(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)cc1-c1cccs1 218489781 NGDVNDHOSRDSSC-CQSZACIVSA-N 371.466 2.276 70 50 FEIA COC(=O)[C@@H](CCSC)NC(=O)Cn1ccc2cccc(OC)c21 216693845 QOMWKIDXUJSLJO-CYBMUJFWSA-N 350.440 2.061 70 50 FEIA O=C(CN1CCCCCCC1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 218748738 BPAWCKLMHKIXKN-RTBURBONSA-N 361.486 2.138 70 50 FEIA O=C(NS(=O)(=O)Cc1c(F)cccc1F)[C@@H]1OCCc2ccccc21 161298240 XYQJWIUMZKABPL-MRXNPFEDSA-N 367.373 2.225 70 50 FEIA COC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C[C@@]23C=C[C@H]1O3 217634802 CTWTVHMQDVBVGF-JXFSHQFZSA-N 353.296 2.165 70 50 FEIA COc1ccc(N2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)Cl 100094324 NXTGLPOAHUQHMP-UHFFFAOYSA-N 351.767 2.423 70 50 FEIA COc1ccc(C(=O)NCCc2scnc2C)cc1N1CCOCC1 217367975 YIBKDQHHDUQXKV-UHFFFAOYSA-N 361.467 2.269 70 50 FEIA CN(C)[C@@H]1[C@@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)[C@H]2CCO[C@H]21 218678166 DGZPOFPNNURNPJ-CIAFKFPVSA-N 355.526 2.451 70 50 FEIA O=C1C[C@@H](NCc2ccc(OS(=O)(=O)F)cc2)CN1C1CCCCC1 2325891748 CYMVMTIJFVEKNN-CQSZACIVSA-N 370.446 2.303 70 50 FEIA Cn1c(CCNC(=O)c2cc(=O)n(-c3ccccc3)[nH]2)nc2ccccc21 217869849 NTOZCZOZMPPVNT-UHFFFAOYSA-N 361.405 2.025 70 50 FEIA O=C(CC1=CSC2=NCCN12)NCCc1nccc(-c2ccccc2)n1 218495699 KNXJUXPWYNFVKY-UHFFFAOYSA-N 365.462 2.452 70 50 FEIA Cn1cc([C@H](NS(=O)(=O)c2ccc(F)cc2Cl)C2CC(O)C2)cn1 218372071 NXJZOXFFTCIOOP-DKBDQHFASA-N 373.837 2.003 70 50 FEIA CCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)o1 218015023 YFZFPGRZDWWRQY-GDBMZVCRSA-N 364.398 2.387 70 50 FEIA CC(=O)N1CC(Nc2cccc(C(=O)NCCc3ccccc3)c2)=CC1=O 218566925 JZFSQBVJYKWEAJ-UHFFFAOYSA-N 363.417 2.344 70 50 FEIA O[C@H](c1cc2n(n1)CCN(Cc1cnc(N3CCCC3)s1)C2)C1CC1 218190955 MAYSEYIZLUQOFL-KRWDZBQOSA-N 359.499 2.399 70 50 FEIA OCc1cc2n(n1)CCN(Cc1cccc(OCc3ccccn3)c1)C2 216978975 OAPLTHWNRFTONP-UHFFFAOYSA-N 350.422 2.365 70 50 FEIA O=C(CCn1cnc2ccccc2c1=O)NC[C@@H]1CCCN2CCCC[C@H]12 217831759 BROSYYDBLSXQBO-QFBILLFUSA-N 368.481 2.167 70 50 FEIA biogenic COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)Nc3ccccn3)CS[C@H]21 218501136 OROYPYXXFMWALT-ADLMAVQZSA-N 371.418 2.307 70 50 FEIA COc1ccc(F)c(F)c1C(=O)NCCc1nc2ccccc2c(=O)[nH]1 218170181 DDXSSDQNQXOSAS-UHFFFAOYSA-N 359.332 2.182 70 50 FEIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1ccnn1C)CC(=O)O2 218006141 BMDUXGFWHMVTCN-JTQLQIEISA-N 368.345 2.184 70 50 FEIA biogenic Cc1nc(N)nc(N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)c1Cl 218432469 VPVULZQDUJHEIQ-ZIAGYGMSSA-N 364.833 2.161 70 50 FEIA CC(C)(C)c1cc(C(=O)NC[C@@H]2CCCN(c3ccccn3)C2)[nH]c(=O)n1 218744383 BODCOUPYYJXNLL-AWEZNQCLSA-N 369.469 2.109 70 50 FEIA COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)c(OC)c1 216634418 LNFODWAGUDVTDF-CABCVRRESA-N 358.438 2.177 70 50 FEIA Cc1ccc2ncnc(N[C@@H](C)C(=O)NCCCc3cnn(C)c3)c2c1 218239078 YDCWPOWRWBSXJY-AWEZNQCLSA-N 352.442 2.221 70 50 FEIA CN1C(=O)C[C@H](CNC(=O)CCN2CCCCCC2=O)c2ccccc21 217437359 KJWUFLGBGKBZNA-OAHLLOKOSA-N 357.454 2.046 70 50 FEIA Nc1nc(CCC(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cs1 218336347 MQMLEMUVRCJRCA-RWKZGTHUSA-N 373.478 2.221 70 50 FEIA Cc1cccc(O[C@@H](C(=O)N2CCN(Cc3nccn3C)CC2)C(C)C)c1 217837962 JMOOXADLMVPURB-HXUWFJFHSA-N 370.497 2.476 70 50 FEIA CCN1Cc2ccccc2C[C@H]1C(=O)NCCCc1nnc2ccccn12 218244668 ZYAZKGLTAWIEOG-SFHVURJKSA-N 363.465 2.225 70 50 FEIA COc1ccccc1Cc1noc(C2CCN(S(=O)(=O)F)CC2)n1 1875368486 UVICETUMFVBQME-UHFFFAOYSA-N 355.391 2.063 70 50 FEIA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)COCC(F)(F)C(F)F)C1 218077911 JVCXQSKXOHLWSI-LLVKDONJSA-N 362.323 2.420 70 50 FEIA CN(C(=O)CCC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1 217985985 AWMZXYJBWZCVGS-UHFFFAOYSA-N 358.442 2.044 70 50 FEIA O=C(NCc1nnnn1-c1ccccc1)c1cc(-c2ccsc2)n[nH]1 217512594 FEFQJVSTUATVJN-UHFFFAOYSA-N 351.395 2.044 70 50 FEIA O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCc1ccccn1 218536318 LBKJTTSOPMWVEA-KRWDZBQOSA-N 374.400 2.366 70 50 FEIA O=C(NCC1(N2CCCCC2)CCOCC1)[C@@H]1OCCc2ccccc21 159723043 KKSWXYYVUBBPEF-LJQANCHMSA-N 358.482 2.452 70 50 FEIA CSc1ccccc1C(=O)N1CCN(c2ccc3nccn3n2)CC1 217928189 WHNJKEGXCVHGQU-UHFFFAOYSA-N 353.451 2.414 70 50 FEIA COc1nc(C)c(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)s1 218715221 HGRVRUVKVPIVPI-NEPJUHHUSA-N 369.468 2.021 70 50 FEIA CC(C)C[C@@H](CO)NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 160920504 LBIVOQBAFWODLE-WMZOPIPTSA-N 364.461 2.130 70 50 FEIA CSc1ncccc1C(=O)NCc1csc(N2CCOCC2)n1 218108944 SQVSUPYHQICHHU-UHFFFAOYSA-N 350.469 2.027 70 50 FEIA COC[C@H](O)CNS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1 160897578 OQKFLKJLDJNMCU-SECBINFHSA-N 364.250 2.432 70 50 FEIA O=C(N[C@@H]1CCOC[C@H]1OCCO)C(c1ccccc1)c1ccccc1 218674505 PFKRYSUKRSCAPM-RTBURBONSA-N 355.434 2.101 70 50 FEIA C[C@H](CC(=O)N[C@H](CC(N)=O)C1CCOCC1)c1ccc(F)cc1F 160282068 WANAARDITMRULL-BDJLRTHQSA-N 354.397 2.245 70 50 FEIA Cc1n[nH]c(C)c1CCN(C)C(=O)COCc1nc2cc(F)ccc2[nH]1 217188639 IVINFQIFKDYLFK-UHFFFAOYSA-N 359.405 2.260 70 50 FEIA CC1(C)C[C@](CCNC(=O)CCn2cnnn2)(c2ccccc2)CCO1 218035876 GKKCTLXSIFVJFJ-LJQANCHMSA-N 357.458 2.097 70 50 FEIA Nc1nc(CCC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cs1 218231307 ANYZAPIEUCDASJ-HZPDHXFCSA-N 361.467 2.148 70 50 FEIA CCc1cc(C(=O)N[C@H]2C[C@@H](c3cc(N4CC[C@H](O)C4)ncn3)C2)cs1 218354143 QQVAWNQSWHGBAL-QEJZJMRPSA-N 372.494 2.348 70 50 FEIA COc1ccc([C@@H](CC(N)=O)c2c(Cc3ccccc3)[nH][nH]c2=O)cc1 218311214 BEYKLGVGILYIFF-MRXNPFEDSA-N 351.406 2.310 70 50 FEIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cccc(N2CCOCC2)c1 218556890 BQIMUKHMEVBONB-UXHICEINSA-N 374.481 2.393 70 50 FEIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cnc(-c2ccncc2)nc1 218580915 DQHYWUMINMCKIL-MSOLQXFVSA-N 368.437 2.409 70 50 FEIA COCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cc1 218358192 OIJSEGDRNJZIBU-RTBURBONSA-N 356.422 2.332 70 50 FEIA COC(=O)N1CCCC[C@@H]1C(=O)NCCc1nccc(-c2ccccc2)n1 218231398 AWICTIAWJQKJEN-QGZVFWFLSA-N 368.437 2.423 70 50 FEIA COCCNc1nc2cc(C(=O)NCc3cc(C4CC4)on3)ccc2n1C 218404498 QGHTYEZVUDHYQD-UHFFFAOYSA-N 369.425 2.427 70 50 FEIA CCc1cc(C(=O)N[C@H]2C[C@@H](c3cc(N4CC[C@@H](O)C4)ncn3)C2)cs1 218354057 QQVAWNQSWHGBAL-BPLDGKMQSA-N 372.494 2.348 70 50 FEIA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(-c3cccn3C)n[nH]1)C2 218080550 MMFZHFLWBGPZEN-SFHVURJKSA-N 368.441 2.101 70 50 FEIA COCC1(C(=O)N2CCn3nc([C@H](O)c4ccccc4)cc3C2)CCC1 217793606 HTHMXXKJTJWIKV-GOSISDBHSA-N 355.438 2.124 70 50 FEIA Cc1nc(O)nc(C)c1CCC(=O)NCc1ccc2c(c1)OCCCO2 218723019 QCTUWAAUDWNUKR-UHFFFAOYSA-N 357.410 2.209 70 50 FEIA Cc1cc(C)c2[nH]c(CN3CCCn4nc(CO)cc4C3)cc(=O)c2c1 217681666 BYIATZJABHPAIT-UHFFFAOYSA-N 352.438 2.240 70 50 FEIA Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)On1nnc2ccccc21 95698418 UMOAGHPTFVVSHR-UHFFFAOYSA-N 357.370 2.386 70 50 FEIA C[C@@H](CC(=O)N[C@H](CC(N)=O)C1CCOCC1)c1ccc(F)cc1F 160281951 WANAARDITMRULL-MEDUHNTESA-N 354.397 2.245 70 50 FEIA Cc1ccc(NCCCNC(=O)c2ccc(N3CCN(C)CC3)cc2)nc1 218341236 ALPVMTOKFMPAAJ-UHFFFAOYSA-N 367.497 2.374 70 50 FEIA CCN(CC)Cc1cc(C(=O)NCc2nnnn2-c2ccccc2)c(C)o1 218201642 YCCUEPLGCQIPOB-UHFFFAOYSA-N 368.441 2.336 70 50 FEIA O=S(=O)(Oc1ccccc1OS(=O)(=O)C(F)(F)F)C(F)(F)F 100542018 XISAIQHXAICQIV-UHFFFAOYSA-N 374.236 2.143 70 50 FEIA Cc1nn(C)c(=O)c(C(=O)Nc2ccn(-c3ccccc3Cl)n2)c1C 159765204 VWIVVOVLWPRERX-UHFFFAOYSA-N 357.801 2.489 70 50 FEIA COc1ccc2[nH]c(C(=O)NCCc3noc([C@@H]4CCCO4)n3)cc2c1 217158941 VNFQEDLLBHMQAB-HNNXBMFYSA-N 356.382 2.384 70 50 FEIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2C1=Cc2ccccc2OC1 217608262 ROPLKRNHFOTITI-CYBMUJFWSA-N 367.357 2.420 70 50 FEIA biogenic Cc1n[nH]c([C@@H]2CCCN2C(=O)Cc2cc3c(cc2Cl)OCCO3)n1 218418844 LQUSXLPYOQDYSR-ZDUSSCGKSA-N 362.817 2.444 70 50 FEIA COc1ccc(NS(=O)(=O)c2ccc(OS(=O)(=O)F)cc2)cc1 1875374385 NFXSFETTXHBROV-UHFFFAOYSA-N 361.372 2.089 70 50 FEIA Cc1nc2n(n1)C[C@@H](NC1CCN(C(=O)c3ccc(Cl)cc3)CC1)CC2 160505303 UAJUQKFMZYTVKV-KRWDZBQOSA-N 373.888 2.449 70 50 FEIA CC(=O)c1c(C)nn(CC(=O)N2CCN(C)[C@@H](c3ccccc3)C2)c1C 217635491 ZIENVXZRTFLPIM-GOSISDBHSA-N 354.454 2.218 70 50 FEIA O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@@H]1CCc2cc(F)ccc2O1 1875387830 ZOUVXAPZTATTAG-AWEZNQCLSA-N 370.333 2.146 70 50 FEIA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)CCc2c(C)noc2C)cn1 218560325 CBYFTHSQKDXXKN-MSOLQXFVSA-N 359.426 2.280 70 50 FEIA Cc1nc(N2CCN(C(=O)NCCc3cscn3)CC2)sc1C 160072632 HDWGSPBGFIXJCV-UHFFFAOYSA-N 351.501 2.291 70 50 FEIA Cc1ccc2ncnc(N[C@H](C)C(=O)NCCCc3cnn(C)c3)c2c1 218239129 YDCWPOWRWBSXJY-CQSZACIVSA-N 352.442 2.221 70 50 FEIA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCn2nc(CO)cc2C1 217487642 JCLPZLSKLMPQON-UHFFFAOYSA-N 355.438 2.064 70 50 FEIA Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n[nH]1 161133660 FREUNWSGGNUJOR-CRAIPNDOSA-N 368.481 2.247 70 50 FEIA Cc1cccc(=O)n1CCCNC(=O)CN1CC[C@H](c2ccccc2)C1 217883451 AIKCEZRHBCBRPY-IBGZPJMESA-N 353.466 2.153 70 50 FEIA COc1ccc2cc(NC(=O)Cn3cc(OC)c(=O)cc3C)cnc2c1 218295566 QEZXYQKWZACADA-UHFFFAOYSA-N 353.378 2.361 70 50 FEIA CC(C)Cc1cc(C(=O)N2CCN(c3ccccc3)C(=O)[C@H]2C)nc(N)n1 218244128 OHBODMXAXBBGDC-CQSZACIVSA-N 367.453 2.135 70 50 FEIA CC(C)C[C@H](CO)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 160920384 LBIVOQBAFWODLE-SJLPKXTDSA-N 364.461 2.130 70 50 FEIA COC(=O)c1sccc1Nc1c(NC[C@@H]2C[C@H]3C=C[C@H]2C3)c(=O)c1=O 218191295 IECXFVPZDPUZRT-DCAQKATOSA-N 358.419 2.498 70 50 FEIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1 218542080 PMZUABFOWUPRCA-DGAVXFQQSA-N 365.373 2.034 70 50 FEIA CN(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F 160880966 NUBBKZWYHVMVBM-NSHDSACASA-N 357.332 2.143 70 50 FEIA CSCC[C@H](NC(C)=O)C(=O)NC1CCN(c2ccccc2F)CC1 218511300 BIXYDCUQPCBPAM-INIZCTEOSA-N 367.490 2.169 70 50 FEIA CCc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)cc(=O)[nH]1 218698172 OQPKKUQBOUDWLV-IAGOWNOFSA-N 360.385 2.043 70 50 FEIA CCS(=O)(=O)c1cccc(CC(=O)N2CCCC[C@@H]2c2ncon2)c1 160240176 IVGCQYHYINTUAT-OAHLLOKOSA-N 363.439 2.160 70 50 FEIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1cc3c(cc1C)OCCO3)C2 217627820 JDBDSMXSNQYSLP-INIZCTEOSA-N 357.410 2.062 70 50 FEIA Cn1c(CNC(=O)c2ccc(Cl)cc2-n2cnnn2)nc2ccccc21 218533185 GEUQFXMLLWUBKZ-UHFFFAOYSA-N 367.800 2.132 70 50 FEIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 218763615 WIQPXFHZNMUFSD-PJQZNRQZSA-N 369.343 2.361 70 50 FEIA