smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1 218416372 XFHUBEJCMODJBZ-CYBMUJFWSA-N 364.357 3.255 70 50 FGIA COc1ccc(CNc2c(N[C@@H](C)c3ccccc3)c(=O)c2=O)cc1OC 218233668 VOESYKBGJVVWIC-ZDUSSCGKSA-N 366.417 3.085 70 50 FGIA Cc1cc(=O)cc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)o1 217118201 FBCIAFGUXXCYPD-CNNODRBYSA-N 367.445 3.241 70 50 FGIA Cc1ccc2occ([C@@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)c2c1 217922309 VDSIHKPUILSUND-LLVKDONJSA-N 350.326 3.271 70 50 FGIA biogenic O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCC(Cn2ccnc2)CC1 218578063 FNHAWUZXSSCSQH-NRFANRHFSA-N 366.509 3.176 70 50 FGIA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1n[nH]c(N)c1-c1ccccc1 218228063 JPISIBGMDIHHHS-CQSZACIVSA-N 351.410 3.241 70 50 FGIA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@H](Cn2ccnc2)C1 218299492 YNKLMOCRILHXRI-QGZVFWFLSA-N 367.493 3.468 70 50 FGIA CC(=O)c1cc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cs1 218314725 AHUPDDKPSGAOJR-UHFFFAOYSA-N 355.463 3.431 70 50 FGIA COc1ccc2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n(C)c2c1 217718922 SXJUFSLQGHKGBB-FUHWJXTLSA-N 355.482 3.181 70 50 FGIA biogenic Cc1nc(N[C@@H]2COCC[C@H]2OCc2ccccn2)c2ccccc2n1 218603313 SCASACZIDINCLD-RTBURBONSA-N 350.422 3.119 70 50 FGIA O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(N2CCCC2)cc1 217072307 HYAIYZSZAMWHCY-GOSISDBHSA-N 352.434 3.247 70 50 FGIA CCOc1ccc2c(C)c(C(=O)N[C@@H]3C[C@@H]4OCC[C@@H]43)oc2c1OCC 217585375 SAGWZJKCHDGLFZ-FMKPAKJESA-N 359.422 3.446 70 50 FGIA COC[C@@H]1[C@@H](NC(=O)c2ccccc2Oc2ccccc2)[C@@H]2CCO[C@@H]21 218409533 XTAYXZCKEJBNSF-HNJRGHQBSA-N 353.418 3.259 70 50 FGIA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1n[nH]c(N)c1-c1ccccc1 218227991 JPISIBGMDIHHHS-AWEZNQCLSA-N 351.410 3.241 70 50 FGIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC1CCN(c2ccc(C)c(Cl)c2)CC1 218451881 KNXPFOVMUSVSBL-CUDHKJQZSA-N 364.917 3.257 70 50 FGIA CCn1cnnc1[C@H](C)NC(=O)c1oc(COc2ccccc2)cc1C 218443276 KXAJWTOVLOBBKH-AWEZNQCLSA-N 354.410 3.269 70 50 FGIA O=S(=O)(Cl)c1cc(F)c(Br)c(Br)c1 263623700 JWBDRCQPBRTXAS-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA Cc1nn(C)c2nc3c(c(C(=O)Nc4nnc(CC(C)C)s4)c12)CCC3 218171236 IUBCGTCLBHKZKT-UHFFFAOYSA-N 370.482 3.068 70 50 FGIA C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2ccc(Cl)cn2)C1=O 159528659 GMXJFTUDZBGHMH-LJQANCHMSA-N 355.825 3.191 70 50 FGIA O=S(=O)(Cl)c1ccc(Br)c(Br)c1F 263624561 ROZFWNNOIKSNNE-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA C#Cc1cc(OS(=O)(=O)F)cc(C(=O)Nc2cc(F)cc(Cl)c2)c1 1875382447 BKPZRKPXUGAKDB-UHFFFAOYSA-N 371.748 3.306 70 50 FGIA CCCCSCc1cc(C(=O)N2CCN(c3cnccn3)CC2)oc1C 217083873 PKMXZOQQOWTNDJ-UHFFFAOYSA-N 374.510 3.374 70 50 FGIA COC(=O)[C@H](C)NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 218137670 UZISCIBKLFZHCI-GXFFZTMASA-N 374.264 3.183 70 50 FGIA O=S(=O)(F)Oc1ccc(CN(Cc2cccc(O)c2)CC2CC2)cc1 1875387639 QROFFGDSPZHUKK-UHFFFAOYSA-N 365.426 3.398 70 50 FGIA Cn1c(=O)oc2c(C(=O)Nc3nc4c(s3)CCCCCC4)cccc21 160924375 HVCBYDBBEXKWEF-UHFFFAOYSA-N 357.435 3.499 70 50 FGIA O=C(NCc1ccc2c(c1)CCCO2)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 218750951 FHPNMOLFMBVGDS-RBUKOAKNSA-N 370.493 3.057 70 50 FGIA c1ccc(C2=N[B-](c3ccccc3)(c3ccccc3)[n+]3ccsc3N2)cc1 195756616 TTZYZMXWFXFGCS-UHFFFAOYSA-N 367.286 3.013 70 50 FGIA Cn1nc(-c2cccs2)cc1C(=O)NCc1nnc(-c2ccccc2)o1 218752002 CEXPODDSBJVQKN-UHFFFAOYSA-N 365.418 3.129 70 50 FGIA O=C(NCc1csc(Cc2ccccc2)n1)c1cccc2c1OCCO2 217607212 VKYKGTINLYTPEN-UHFFFAOYSA-N 366.442 3.435 70 50 FGIA O=S(=O)(Cl)c1cc(F)c(Br)cc1Br 101040143 ICWVTDHOJSAYME-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)c2ccccc2oc1=O 217826743 COLBXDDVJPDSPN-HNNXBMFYSA-N 354.358 3.202 70 50 FGIA biogenic Cc1csc(SCC(=O)N2CCC(OCc3cccnc3)CC2)n1 218619197 ADLUVSHRLQRADC-UHFFFAOYSA-N 363.508 3.146 70 50 FGIA COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)c2ccccc2oc1=O 217826643 COLBXDDVJPDSPN-OAHLLOKOSA-N 354.358 3.202 70 50 FGIA biogenic Cc1ccc(S(=O)(=O)F)cc1CNc1ccccc1C[S@](C)=O 1875381264 OWDGCRQIGUVRJS-QFIPXVFZSA-N 355.456 3.144 70 50 FGIA O=S(=O)(F)N1CCC2(CC1)C[C@@H]2c1nc(-c2cccc(Cl)c2)no1 1875368357 LILXXKZCLHXGOC-GFCCVEGCSA-N 371.821 3.174 70 50 FGIA O=C(Nc1nnc(-c2ccsc2)s1)N[C@@H]1CCN(c2ccccn2)C1 161257861 PPFJDGHIKCYERD-GFCCVEGCSA-N 372.479 3.062 70 50 FGIA CN1CCN(c2ccc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)cc2)CC1 217995555 GYIOFAGCUAEDSH-HXUWFJFHSA-N 353.441 3.165 70 50 FGIA CC(C)[C@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1nc2ccccc2n1C 218153558 GTJYCVATAATGMG-IBGZPJMESA-N 374.448 3.486 70 50 FGIA Cc1cc(C)n(CC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c(=O)n1 218741126 VILUHOYOHPPBMF-GOSISDBHSA-N 357.429 3.143 70 50 FGIA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1c[nH]nc1-c1ccc(F)cc1 217734342 HWTXLLNFEDCTJC-MAUKXSAKSA-N 356.445 3.210 70 50 FGIA biogenic COC[C@H]1[C@@H](NC(=O)c2ccc(-c3ccccc3OC)cc2)[C@@H]2CCO[C@@H]21 218638210 GRGTUASBNFQWOM-QIJZPMMNSA-N 367.445 3.142 70 50 FGIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)n1 218150731 VNLJNDBEEQKUOU-HXUWFJFHSA-N 360.461 3.433 70 50 FGIA CSc1ccc(CC(=O)N2CCCO[C@H](CN3CCCCC3)C2)cc1 217771482 MZDBFACKLOKZDB-GOSISDBHSA-N 362.539 3.054 70 50 FGIA O=C(CC1(n2cccc2)CCOCC1)Nc1ccc(C(F)(F)F)cn1 218213790 JVDHXOFCTVVUPE-UHFFFAOYSA-N 353.344 3.436 70 50 FGIA COc1ccc2[nH]c(CNC(=O)CCc3ccc(N(C)C)cc3)cc2c1 218238960 ZSMGYEUQZSNMEQ-UHFFFAOYSA-N 351.450 3.492 70 50 FGIA COc1ccc2[nH]c(CCN(C)C(=O)c3ccc(CSC)o3)nc2c1 218681237 LCRFRFCYEATCEP-UHFFFAOYSA-N 359.451 3.342 70 50 FGIA COC(=O)[C@H](Cc1ccccc1)NC(=O)CCn1ccc2c(C)cccc21 218166183 VIAZPOSBZHAWJW-IBGZPJMESA-N 364.445 3.240 70 50 FGIA C[C@H](NC(=O)CC1(n2cccc2)CCOCC1)c1nc2ccccc2[nH]1 218405567 LODRGODOUMBFIK-HNNXBMFYSA-N 352.438 3.138 70 50 FGIA O=C(c1ccc2ncccc2c1)N1CCN(C2Cc3ccccc3C2)CC1 218566921 OOLICUSYFCVRDD-UHFFFAOYSA-N 357.457 3.160 70 50 FGIA Cc1ccc(Cc2ccccc2C(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3)cc1 218027321 QICHEDRGXNDLAW-UXHICEINSA-N 362.473 3.327 70 50 FGIA C[C@H](NC(=O)c1ccccc1OC(F)F)c1nncn1C1CCCC1 218098315 GKZSOHZKERHBDE-NSHDSACASA-N 350.369 3.486 70 50 FGIA O=C(N[C@@H](Cc1ccncc1)C1CC(O)C1)c1cccc(-c2ccco2)c1 218247730 DLHHTPPNZBOSTH-MHJFOBGBSA-N 362.429 3.454 70 50 FGIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1ccccc1)CC(=O)O2 217861459 QLGLGQWPZOYJCN-ZDUSSCGKSA-N 364.353 3.451 70 50 FGIA biogenic Cc1ccccc1[C@H](C(=O)N(C)Cc1cccc(CN(C)C)c1)N(C)C 218216695 WBLVYAQWFFNCOM-OAQYLSRUSA-N 353.510 3.318 70 50 FGIA CCCCc1nc(CN2CCCn3nc([C@H](C)O)cc3C2)c(Cl)[nH]1 217127964 UPRRNAUDSFWRKN-LBPRGKRZSA-N 351.882 3.061 70 50 FGIA COC(=O)[C@H](C)NC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 218137584 UZISCIBKLFZHCI-GWCFXTLKSA-N 374.264 3.183 70 50 FGIA Cc1cc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)sc1-c1ccccc1 218503249 FOMDYAXSGBUTDJ-LJQANCHMSA-N 356.447 3.390 70 50 FGIA CCN(CC)c1ccc(C(=O)N2CCOc3ccc(CO)cc3C2)cc1 218100151 ZQAIUKPDHAOVKP-UHFFFAOYSA-N 354.450 3.060 70 50 FGIA CCn1cc(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)ccc1=O 161217692 MKIWXONDNATVRI-MAUKXSAKSA-N 355.438 3.158 70 50 FGIA O=C(c1ccccc1N1CCOCC1)N1CCCC[C@H]1c1nccs1 218640560 BHTQRQCHNOZDGX-KRWDZBQOSA-N 357.479 3.347 70 50 FGIA COc1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c(C)c1 218327777 MIEWREHEZWBMPZ-BPZDKFOGSA-N 367.445 3.181 70 50 FGIA Cc1ccc2[nH]c([C@@H](C)NC(=O)c3ccc(SCCO)cc3)nc2c1 217847790 XABPYRAPHYYJAV-CYBMUJFWSA-N 355.463 3.447 70 50 FGIA CC(C)(C)n1cc(CN2CCC[C@@H]2C(N)=O)c(-c2ccccc2Cl)n1 160365974 HRSFJABPVYHNSL-MRXNPFEDSA-N 360.889 3.408 70 50 FGIA CCOC(=O)/C(C)=C\CCc1ccccc1OS(=O)(=O)C(F)(F)F 1501069192 ZWOYABQHAYCUDG-XFFZJAGNSA-N 366.357 3.357 70 50 FGIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1Cl 218213018 VLSPUTWKDHFHSQ-IAGOWNOFSA-N 364.829 3.049 70 50 FGIA C[C@H]1CCc2c(C(=O)N3CCC[C@@H]3CC(=O)c3cnn(C)c3)csc2C1 159929926 JTKONZYTILQCAO-DZGCQCFKSA-N 371.506 3.484 70 50 FGIA CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 159437115 MURALKAMXWIBFM-NEWSRXKRSA-N 365.481 3.058 70 50 FGIA Cc1scc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)c1-c1ccccc1 218436906 PHLHBEYNUWJMBM-IBGZPJMESA-N 356.447 3.390 70 50 FGIA O=C(/C=C/c1ccc(OS(=O)(=O)F)cc1)c1ccc([N+](=O)[O-])cc1 1875382806 SFABEOUOTWUNON-XCVCLJGOSA-N 351.311 3.084 70 50 FGIA COc1ccc2c(c1)C[C@@H](Nc1ccc(OS(=O)(=O)F)cc1)CC2 1875381743 GINXUWPWDVMFEP-HNNXBMFYSA-N 351.399 3.258 70 50 FGIA O=C(c1ccccc1N1CCCC1)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 216658899 CVCUWVOFMOVCHK-OALUTQOASA-N 353.510 3.233 70 50 FGIA Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2nnc3n2CCCCC3)C1 217142525 SKAGKBZVNJSKBP-QGZVFWFLSA-N 368.481 3.244 70 50 FGIA O=S(=O)(Cl)c1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1 100028934 HJKXLQIPODSWMB-UHFFFAOYSA-N 367.231 3.334 70 50 FGIA in-vitro O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)C1=Cc2cc(Cl)ccc2OC1 218286190 KDNTXWYAMUPSGR-AXHNFQJDSA-N 370.836 3.139 70 50 FGIA CCNC(=O)N1CCC(NC(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 218102918 YXVNYRXGAZCWEX-UHFFFAOYSA-N 363.889 3.072 70 50 FGIA CCN(CC)Cc1cc(C(=O)N2CCC[C@@H](c3ccncn3)C2)c(C)o1 218132606 WRFUPGFBGKEGLZ-MRXNPFEDSA-N 356.470 3.240 70 50 FGIA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(COc2ccccc2)cc1 218168610 GQFNGKZNENIWSX-WOJBJXKFSA-N 355.434 3.189 70 50 FGIA C[C@H](C(=O)NC1CCN(c2ccc(F)cc2)CC1)n1cc(Cl)cn1 218631442 MCJBYYLLZVOZKE-GFCCVEGCSA-N 350.825 3.022 70 50 FGIA CC[C@H](Sc1nc2ccccc2o1)C(=O)NCc1cnn2cccnc12 218446361 GAYAXNNXDYRFSC-HNNXBMFYSA-N 367.434 3.058 70 50 FGIA O=C(CCn1cnc2ccccc21)N1CCC[C@@H](OCc2ccccn2)C1 218335802 NAHGHDZNBYTMGR-GOSISDBHSA-N 364.449 3.029 70 50 FGIA Cc1ccc2[nH]c(C3CCN(C(=O)CSc4ncccn4)CC3)nc2c1 218599699 PJTMLQWDEJCNNM-UHFFFAOYSA-N 367.478 3.160 70 50 FGIA Cc1cc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)sc1-c1ccccc1 218503322 FOMDYAXSGBUTDJ-IBGZPJMESA-N 356.447 3.390 70 50 FGIA CC[C@H](C(=O)NCCc1c(C)n[nH]c1C)n1cc(C(C)=O)c2ccccc21 217090902 KGRFQENBZLGFHP-LJQANCHMSA-N 366.465 3.494 70 50 FGIA Cc1ccc2[nH]c([C@H](C)NC(=O)c3ccc(SCCO)cc3)nc2c1 217847853 XABPYRAPHYYJAV-ZDUSSCGKSA-N 355.463 3.447 70 50 FGIA O=S(=O)(Cl)c1cc(Br)cc(F)c1Br 263623383 GYLBPTANDAKLDL-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA CCC(CC)[C@@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)N1CCOCC1 160543685 RSTKWDIXNLNPQQ-OALUTQOASA-N 366.546 3.122 70 50 FGIA O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1cccc(Cl)c1F 160227512 XQMPNMIWFLVABG-UHFFFAOYSA-N 357.716 3.039 70 50 FGIA COC(=O)[C@H](CC(C)C)NC(=O)CCn1ccc2c(Cl)cccc21 218260005 MWWNJFAYDDNTCD-HNNXBMFYSA-N 350.846 3.389 70 50 FGIA Cc1c(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cnn1-c1ccc(F)cc1 217712587 QNKFHWXFAYFMNS-OXJNMPFZSA-N 370.472 3.314 70 50 FGIA biogenic CC(=O)c1ccc2c(c1O)[C@H](c1cc(Cl)c3c(c1)OCO3)CC(=O)O2 217839240 SQULNFOSVLCYAU-NSHDSACASA-N 360.749 3.418 70 50 FGIA biogenic CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCc1nc2ccccc2s1 218183492 JROXTIPUIFMLFA-SJORKVTESA-N 374.506 3.485 70 50 FGIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CC=C(C(F)(F)F)CC1 1875382714 NESZMGQIGDFBRO-UHFFFAOYSA-N 368.308 3.006 70 50 FGIA [N-]=[N+]=NCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 100008481 FEXHEMGARNABFF-UHFFFAOYSA-N 369.246 3.021 70 50 FGIA in-vitro CSc1ncc(C(=O)N(C)Cc2cccc(-n3nc(C)cc3C)c2)cn1 218486686 FVQADROOOLVLRC-UHFFFAOYSA-N 367.478 3.273 70 50 FGIA CC(=O)c1ccc2c(c1O)[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 217710442 WQRHRPALSNEOPV-CYBMUJFWSA-N 350.326 3.142 70 50 FGIA biogenic Cc1ccc(C)c(-n2ncc(NC(=O)N3CCN4CCCC[C@H]4C3)c2C)c1 160738536 DSQFQLCUPBSVTR-SFHVURJKSA-N 367.497 3.500 70 50 FGIA CC(C)n1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1 218166100 BALBRRSCUUBKOW-PKUWUEBNSA-N 364.449 3.254 70 50 FGIA CC1=NN(c2nc(C)cc(C)n2)C(=O)[C@H]1C(=O)Nc1ccccc1C(C)C 160109363 LWWSXDYKUBQVKJ-QGZVFWFLSA-N 365.437 3.194 70 50 FGIA O=C(NCCc1noc(C2CCCC2)n1)c1ccccc1N1CCCC1 217208642 FCXCLUKWCSXPIL-UHFFFAOYSA-N 354.454 3.300 70 50 FGIA O=S(=O)(Cl)c1cc(Br)c(Br)cc1F 100508065 WPXKWXHOJVDDIZ-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA O=C(NOCc1ccc(C(F)(F)F)cc1)[C@@H]1COc2ccccc2O1 160681846 DOBQJRZOCMUFBB-HNNXBMFYSA-N 353.296 3.093 70 50 FGIA COc1cccc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)c1OC 218731713 CDPIUWZOXBLGSM-KRWDZBQOSA-N 351.406 3.072 70 50 FGIA COC(=O)[C@H](Cc1ccccc1)N(C[B-](F)(F)F)C(=O)OC(C)(C)C 299804052 VKNUEJXBCPBSHB-ZDUSSCGKSA-N 360.161 3.394 70 50 FGIA O=C(N[C@@H](CS(=O)(=O)Cl)c1ccccc1)OCc1ccccc1 725271031 VJKSGCXULJGOIQ-HNNXBMFYSA-N 353.827 3.223 70 50 FGIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1ccco1)CC(=O)O2 217982706 QKVIPJBEWFUNFW-JTQLQIEISA-N 354.314 3.044 70 50 FGIA biogenic Cc1cc(C)nc(NCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)n1 218128164 HDRUHHMSTLTURA-UHFFFAOYSA-N 361.449 3.303 70 50 FGIA Cc1ccn(CCC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)n1 218562910 UQHWJZJWPSDILK-QGZVFWFLSA-N 365.437 3.038 70 50 FGIA O=S(=O)(F)Oc1ccc(CN2Cc3ccc(O)cc3C3(CC3)C2)cc1 1875387490 KDRSWJXSAWPJEB-UHFFFAOYSA-N 363.410 3.033 70 50 FGIA CN(Cc1cccnc1)Cc1cc2n(n1)CCCN(C[C@@H]1CC=CCC1)C2 216647144 ITLZXHMBYZRKNW-LJQANCHMSA-N 365.525 3.472 70 50 FGIA Cc1cc(C(=O)NCc2cnc3ccccc3c2)ccc1N1CCOCC1 217202207 RKXZQNROLQIMPU-UHFFFAOYSA-N 361.445 3.310 70 50 FGIA CSCC[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1Cl 218308054 FLQCPDUMNCTREK-JTQLQIEISA-N 374.293 3.227 70 50 FGIA COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CCc2ccccc2O1)CC3 217888980 RCKFJYKLJNQCKN-NRFANRHFSA-N 362.429 3.455 70 50 FGIA O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2noc(C3CC3)n2)C1 161162374 CNDQCHMUJYSXMY-KGLIPLIRSA-N 353.344 3.274 70 50 FGIA Cc1csc(SCC(=O)N2CCC[C@H](OCc3cccnc3)C2)n1 218452916 HIXRSEHUWCSWHK-HNNXBMFYSA-N 363.508 3.146 70 50 FGIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCc2ccco2)n1 218264358 OSOAFOUHKXXXBD-LJQANCHMSA-N 364.449 3.069 70 50 FGIA Cc1nnc(CN(C)C(=O)[C@H](C)n2c(CC(C)C)nc3ccccc32)o1 217152485 UJCYBUQHAJXFDZ-ZDUSSCGKSA-N 355.442 3.146 70 50 FGIA C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2ccc(Cl)cn2)C1=O 159528533 GMXJFTUDZBGHMH-IBGZPJMESA-N 355.825 3.191 70 50 FGIA CCc1ccc(-c2nnc(O)c3c2CCCC3)cc1S(=O)(=O)Cl 1848442339 KWLDKYPJNICSST-UHFFFAOYSA-N 352.843 3.218 70 50 FGIA CC(=O)C(C(C)=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1 100214482 RODDRLSGPXBWMR-UHFFFAOYSA-N 360.393 3.331 70 50 FGIA CSCc1noc(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 218577450 ODGPWWIWCBQEPF-UHFFFAOYSA-N 351.859 3.324 70 50 FGIA COc1ccc(F)c(F)c1C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 218748351 NYGTVLMXVVGODO-AWEZNQCLSA-N 362.376 3.190 70 50 FGIA O=C(c1sccc1Cl)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 217216373 AVMODRUNAPIVDF-MRXNPFEDSA-N 373.865 3.336 70 50 FGIA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cccc(C(F)(F)F)c1)C2 216972485 PJVJLPIYRIAAFQ-HIFRSBDPSA-N 354.372 3.178 70 50 FGIA COc1ccccc1-c1n[nH]cc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 217810824 IAYAIOGPSRUBPC-MAUKXSAKSA-N 368.481 3.080 70 50 FGIA biogenic Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2coc3ccccc23)cn1 218644418 GTMDYSOQNUAFDV-MJGOQNOKSA-N 352.390 3.103 70 50 FGIA O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)C1C2CC3CC(C2)CC1C3 159835542 PIHNQVGZXTUIQL-CGAUPDFVSA-N 359.495 3.145 70 50 FGIA O=C(N[C@@H]1CCCc2sccc21)c1ccc(=O)n(-c2ccccc2)n1 159903560 BBPHHHISKAHHHK-OAHLLOKOSA-N 351.431 3.101 70 50 FGIA Cc1nn(CCNC(=O)CO[C@@H](c2ccccc2)C(F)(F)F)c(C)c1C 218348525 PGAFDMMIBXOGDH-KRWDZBQOSA-N 369.387 3.245 70 50 FGIA CC(C)c1cc(C(=O)N2CCC[C@H]2Cn2ccnc2)nn1-c1ccccc1 160095633 CSAJIIZJVOXPMS-SFHVURJKSA-N 363.465 3.497 70 50 FGIA COC(=O)C[C@H](c1ccc2ncccc2c1)c1cc2c(cc1O)OCO2 217990647 FOBTTZMYKNNZOP-CQSZACIVSA-N 351.358 3.364 70 50 FGIA biogenic O=C(CCc1nc2ccccc2[nH]1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 218533924 YFDSXIYBTXASAG-MGNXDGSBSA-N 353.466 3.205 70 50 FGIA O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2nc(C3CC3)no2)C1 161069346 YYDBVUNFHYWCLR-KGLIPLIRSA-N 353.344 3.274 70 50 FGIA O=C(N[C@H]1CCOc2c(Cl)cccc21)c1ccc(S(=O)(=O)F)cc1 865206747 SXXWHKGUUBTBTJ-AWEZNQCLSA-N 369.801 3.252 70 50 FGIA CCN1CCC[C@H]1CNC(=O)Cc1csc2nc(-c3ccccc3)cn12 218482660 ZZEOTPQGINHWMB-INIZCTEOSA-N 368.506 3.206 70 50 FGIA O=C(NCc1cc2c(cc1OC(F)F)OCO2)NCC1(C2CC2)CC1 160181623 DZGURGDQBLQKJW-UHFFFAOYSA-N 354.353 3.006 70 50 FGIA Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cccc2c1oc(=O)n2C 159662311 OAGBXCWMICSRPE-CQSZACIVSA-N 354.406 3.476 70 50 FGIA Cc1ccccc1OC[C@H]1CCCN(C(=O)c2nnc3n2CCCCC3)C1 217142538 SKAGKBZVNJSKBP-KRWDZBQOSA-N 368.481 3.244 70 50 FGIA Cc1ccc(C)c(-n2ncc(NC(=O)N3CCN4CCCC[C@@H]4C3)c2C)c1 160738389 DSQFQLCUPBSVTR-GOSISDBHSA-N 367.497 3.500 70 50 FGIA O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2noc(C3CC3)n2)C1 161162141 CNDQCHMUJYSXMY-KBPBESRZSA-N 353.344 3.274 70 50 FGIA COc1ccccc1[C@H]1CC(=O)Oc2cc(O)c3c(C)cc(=O)oc3c21 218000189 DNGPJOIPDOGPLB-GFCCVEGCSA-N 352.342 3.257 70 50 FGIA biogenic CC(C)c1nc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)n[nH]1 218605682 IEOWKCDKGMHYHI-UHFFFAOYSA-N 366.450 3.486 70 50 FGIA O=S(=O)(Cl)c1c(F)cc(Br)cc1Br 263623659 JKLHJXNFRJPHIA-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA O=C(c1nc2ccccc2c(=O)[nH]1)N1CCCC[C@@H]1c1ccc(F)cc1 217119121 BDCVCWKUJKFJEL-QGZVFWFLSA-N 351.381 3.430 70 50 FGIA COc1ccc2c(c1)[C@H](NC(=O)Cc1ccc3c(c1)OCO3)CC(C)(C)O2 218182093 QZHSGGLZNQLFLP-MRXNPFEDSA-N 369.417 3.385 70 50 FGIA Cc1nonc1CC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 217547148 GIHCBOPLZLAIEC-UHFFFAOYSA-N 369.343 3.009 70 50 FGIA Clc1ncn(Cc2nn3c(-c4ccsc4)nnc3s2)c1Cl 218364689 VXPOPUXJDHTPHN-UHFFFAOYSA-N 357.251 3.466 70 50 FGIA Cc1nc2cc(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@@H](O)C3)ccc2s1 218010144 CWKZTQFFYNJBGX-HBUWYVDXSA-N 353.447 3.242 70 50 FGIA COc1cccc(CCC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c1 217989636 IFWYOGPWGDYJGG-UXHICEINSA-N 373.424 3.120 70 50 FGIA Cc1[nH]c2c(CN3CCn4nc([C@@H](O)C5CC5)cc4C3)cccc2c1C 218633010 QDXHFFRFNRBWTE-NRFANRHFSA-N 350.466 3.440 70 50 FGIA Cc1ccc(S[C@@H](C)C(=O)N2CCC(c3ccnc(N)n3)CC2)cc1 217493728 ZPHAUZIFXOEEPP-AWEZNQCLSA-N 356.495 3.254 70 50 FGIA COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1c(O)c2ccccc2oc1=O 218223449 KOYATFOIHJPSSC-LBPRGKRZSA-N 360.312 3.472 70 50 FGIA Cc1ccccc1-c1noc(CCCC(=O)N[C@@H](C)c2cn(C)nc2C)n1 218341407 KPNSLCVYYUWGNM-AWEZNQCLSA-N 367.453 3.287 70 50 FGIA CC(C)C[C@H](NC(=O)CCCn1cccn1)c1nc2ccccc2n1C 218381121 KTLJVAFFQANUSP-KRWDZBQOSA-N 353.470 3.454 70 50 FGIA Cc1ccc2[nH]c(CN3CCC(CO)(CN4CCCC4)CC3)c(C)c2c1 218179197 CAZZVHIYIREXAE-UHFFFAOYSA-N 355.526 3.455 70 50 FGIA CCSc1nc(CC(=O)N(C)C[C@@H]2COc3ccccc3O2)cs1 218199348 SWUMMFYBVRTRRE-CYBMUJFWSA-N 364.492 3.096 70 50 FGIA COc1cc(OC)cc([C@H](c2sc3ncnn3c2O)N2CCCCC2)c1 218604702 FBELFFMIXVVPER-OAHLLOKOSA-N 374.466 3.089 70 50 FGIA CCSc1nc(CC(=O)N(C)C[C@H]2COc3ccccc3O2)cs1 218199448 SWUMMFYBVRTRRE-ZDUSSCGKSA-N 364.492 3.096 70 50 FGIA Cc1ccc2[nH]c(SCC(=O)NCCCc3c(C)n[nH]c3C)nc2c1 218164072 HGGNDINUOKDFMA-UHFFFAOYSA-N 357.483 3.052 70 50 FGIA CCn1cnnc1[C@@H](C)NC(=O)c1oc(COc2ccccc2)cc1C 218443200 KXAJWTOVLOBBKH-CQSZACIVSA-N 354.410 3.269 70 50 FGIA O=C(CCC(=O)c1ccc(F)cc1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 218066610 ZPLMOMIPCQCGCU-CZGNIMDHSA-N 359.441 3.499 70 50 FGIA Cc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(S(=O)(=O)F)cc1)N2 100708288 ANSDPKGXRTWHEX-KRWDZBQOSA-N 370.409 3.301 70 50 FGIA COc1cccc([C@H]2CCCN2C(=O)COc2ncnc3ccccc23)c1 218208176 HPTNEHCWBBFOMS-LJQANCHMSA-N 363.417 3.381 70 50 FGIA NC(=O)C[C@@H](c1c(F)cccc1Cl)c1c(Cc2ccccc2)[nH][nH]c1=O 218511836 XJUAEDVHEDQZLO-LBPRGKRZSA-N 373.815 3.094 70 50 FGIA Cc1nc([C@@H](C)NC(=O)C(C)(C)Oc2cc(C)c(Cl)c(C)c2)n[nH]1 217675288 DLFRAMPLFBHGEI-LLVKDONJSA-N 350.850 3.418 70 50 FGIA CCOC(=O)c1ccc(NC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1 100814327 MFKWEDRGLYWHPX-UHFFFAOYSA-N 366.370 3.166 70 50 FGIA COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1 218416454 XFHUBEJCMODJBZ-ZDUSSCGKSA-N 364.357 3.255 70 50 FGIA CCn1cc(NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)ccc1=O 161217556 MKIWXONDNATVRI-YJBOKZPZSA-N 355.438 3.158 70 50 FGIA Cc1cccc2c1CCN(C(=O)Nc1ccc(OS(=O)(=O)F)cc1)C2 1875382820 STXISYIILYJBKH-UHFFFAOYSA-N 364.398 3.178 70 50 FGIA CC(=O)c1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)s1 218109188 IBFFGXRAIOJZKX-HZPDHXFCSA-N 359.447 3.055 70 50 FGIA COc1ccc(NC(=O)c2c3c(nc4c2c(C)nn4C)CCC3)c(OC)c1 218450664 LPYNWMKVFLDTHC-UHFFFAOYSA-N 366.421 3.035 70 50 FGIA COC(=O)C[C@@H](c1ccccc1OC)c1c(O)c2ccccc2oc1=O 217889457 FZJIMZSMFSMUKA-AWEZNQCLSA-N 354.358 3.202 70 50 FGIA biogenic O=c1cc(CN2CCc3ccccc3C2)oc(CN2CCCCCC2)c1O 218298294 VISUFYMESDHFMC-UHFFFAOYSA-N 368.477 3.280 70 50 FGIA COc1ccc([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)c(OC)c1 218062989 FMJUWWBOQRSPRZ-ZDUSSCGKSA-N 374.389 3.171 70 50 FGIA biogenic COCCN1C[C@@H]2CC[C@H]1CN(Cc1cccc(-n3nc(C)cc3C)c1)C2 216681405 VKIGHACMCOLUDZ-IRLDBZIGSA-N 368.525 3.032 70 50 FGIA O=C(N[C@H]1C[C@H](c2cc(=O)[nH]c(C3CC3)n2)C1)c1c(F)cccc1Cl 218363682 BASOWPGWVXLHTH-PHIMTYICSA-N 361.804 3.116 70 50 FGIA COc1ccc(F)c(F)c1C(=O)NC1CCN(CCc2ccccc2)CC1 218292401 QPZKHHIZCSOFJH-UHFFFAOYSA-N 374.431 3.410 70 50 FGIA O=S(=O)(Cl)c1cc(Br)c(F)c(Br)c1 263623973 MGUVVFFYQIKFHN-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2OC)cc1 218206278 IRFGBCOLPRQNJF-GOSISDBHSA-N 352.434 3.103 70 50 FGIA O=C(NCc1ccnc(OCC2CC2)c1)N1CCO[C@@H](c2cccs2)C1 159931232 MOEXOVFYPAWLNN-MRXNPFEDSA-N 373.478 3.215 70 50 FGIA Cc1nc(N[C@@H]2COCC[C@H]2Oc2ccc(CO)cc2)c2sccc2n1 218538613 IBHBYSXXJSRDPC-IAGOWNOFSA-N 371.462 3.140 70 50 FGIA O=C(CC1(n2cccc2)CCOCC1)Nc1ccc(N2CCCC2=O)cc1 218387843 LNMJPXSGVFIKOY-UHFFFAOYSA-N 367.449 3.149 70 50 FGIA O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2nc(C3CC3)no2)C1 161069092 YYDBVUNFHYWCLR-KBPBESRZSA-N 353.344 3.274 70 50 FGIA O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCc2c(Cl)cccc2C1 159665078 FZNZOFOAJHNDOM-ZDUSSCGKSA-N 360.845 3.163 70 50 FGIA OCCn1nccc1C1CCN(Cc2cc(Cl)cc3cccnc23)CC1 160563165 IJCLJOQJXNLRAE-UHFFFAOYSA-N 370.884 3.457 70 50 FGIA CCS(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2ccccn2)cc1 217668344 OQJUXCHBUIRKDQ-SFHVURJKSA-N 373.478 3.211 70 50 FGIA COC(=O)C[C@H](c1ccc(F)c(F)c1)c1c(O)c2ccccc2oc1=O 218223397 KOYATFOIHJPSSC-GFCCVEGCSA-N 360.312 3.472 70 50 FGIA COc1cc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc(OC)c1OC 217656364 ADDCVBWHKTYQIE-CYBMUJFWSA-N 372.373 3.062 70 50 FGIA biogenic CC(C)[C@H](NC(=O)c1n[nH]c2c1CCCC2)c1nc2ccccc2n1C 218381630 VTFDSXPXZQIDIP-KRWDZBQOSA-N 351.454 3.302 70 50 FGIA Cc1nccc(-c2ccccc2)c1C(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 218094592 JHWDFLGKHFWVIK-UXHICEINSA-N 366.461 3.371 70 50 FGIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc3cc(Cl)ccc3[nH]1)C2 217361468 FLMBEQWIAJVKKB-NSHDSACASA-N 358.829 3.117 70 50 FGIA O=C(NCCC(=O)N1CCC[C@@H](c2ccccc2)C1)c1ccccc1F 217164526 GZISHVNLGQPWPA-QGZVFWFLSA-N 354.425 3.352 70 50 FGIA O=C(c1ccccc1OCCc1ccccc1)N1CCN2CCC[C@@H]2C1 217098201 BFFURDNACCUNAU-LJQANCHMSA-N 350.462 3.228 70 50 FGIA O=C(CCc1cccs1)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 217199995 VVOUZXFZOVKURZ-FQEVSTJZSA-N 367.474 3.001 70 50 FGIA CC(C)n1c(CCNC(=O)Cc2ccc3c(c2)OCC3)nc2ccccc21 218524921 UJVFCFLLFNSGJE-UHFFFAOYSA-N 363.461 3.454 70 50 FGIA O=C(Nc1cccc(S(=O)(=O)F)c1)c1sccc1OC(F)F 460092660 MYMPGUBFYSWWCY-UHFFFAOYSA-N 351.327 3.260 70 50 FGIA C[C@@H](CCc1ccccc1)NC(=O)Cn1cc(-c2ccccc2)ncc1=O 218146666 REQAGUSOKBVZMG-KRWDZBQOSA-N 361.445 3.048 70 50 FGIA Cc1[nH]c2c(c1C(=O)NCc1cccc(CN3CCCC3)c1)C(=O)CCC2 218164370 GKIJBMIMYCYKQU-UHFFFAOYSA-N 365.477 3.368 70 50 FGIA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(=O)n(C)c2)ccc1F 217116934 URCPTLPIMXSRNO-BCDXTJNWSA-N 354.425 3.384 70 50 FGIA O=C(CCc1ccc(F)c(F)c1)N1CCCO[C@@H](CN2CCCCC2)C1 217081610 XIDJWJQSGGURBP-KRWDZBQOSA-N 366.452 3.001 70 50 FGIA Cc1ccccc1[C@@H](CNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N(C)C 217410802 GNOYKUNBQHDELS-JLGNBMECSA-N 370.537 3.435 70 50 FGIA Cc1nc([C@H]2CC(=O)OC23CCCCC3)n(Cc2ccc3c(c2)OCO3)n1 217886436 AVIKGWOIWINNNU-OAHLLOKOSA-N 369.421 3.097 70 50 FGIA O=C(c1ccc(-n2ccnc2)cc1)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 216653406 OZZXDJOUCNBXKD-RXVVDRJESA-N 364.493 3.209 70 50 FGIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1ccco1)CC(=O)O2 217982770 QKVIPJBEWFUNFW-SNVBAGLBSA-N 354.314 3.044 70 50 FGIA biogenic COc1ccccc1CCNC(=O)c1sc(-c2ccncc2)nc1C 218397525 DQZDFFHTRGREQC-UHFFFAOYSA-N 353.447 3.495 70 50 FGIA CCCn1cc(NC(=O)N2CC[C@@H](CN(CC)CC(F)(F)F)C2)cn1 161244568 XCUZIJTZUSGJBX-ZDUSSCGKSA-N 361.412 3.031 70 50 FGIA c1ccc(OCCn2ccnc2)c(CN2CC[C@@H](N3CCCCC3)C2)c1 216940671 HXPZBYPHUCGNMC-HXUWFJFHSA-N 354.498 3.022 70 50 FGIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1ccccc1)CC(=O)O2 217861538 QLGLGQWPZOYJCN-CYBMUJFWSA-N 364.353 3.451 70 50 FGIA biogenic CCC(CC)[C@@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)N1CCOCC1 160543487 RSTKWDIXNLNPQQ-MOPGFXCFSA-N 366.546 3.122 70 50 FGIA O=C1CCCN1c1ccc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 159469100 BZKHZGAWVSSKHP-CRAIPNDOSA-N 362.495 3.157 70 50 FGIA COc1ccc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1OC 217921709 NAUFAOJHURWCJX-CYBMUJFWSA-N 352.342 3.251 70 50 FGIA biogenic COc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc3c(c1)OCO3)CC(C)(C)O2 218182020 QZHSGGLZNQLFLP-INIZCTEOSA-N 369.417 3.385 70 50 FGIA Cc1cccc([C@@H]2CCCN2C[C@H](O)COc2cccc3[nH]ccc23)n1 160369249 GPHIILFAUKIGRG-JXFKEZNVSA-N 351.450 3.448 70 50 FGIA COc1ccc(C2(C(=O)N3CCC(OCc4ccccn4)CC3)CC2)cc1 218767574 LTSHKXWKECODKH-UHFFFAOYSA-N 366.461 3.330 70 50 FGIA CC(C)c1cc(CN(C)C(=O)C2(c3ccccc3)CCN(C)CC2)no1 218682726 ZLGGDSAJVCZOBD-UHFFFAOYSA-N 355.482 3.420 70 50 FGIA COc1ccc2c(c1)C[C@H](Nc1ccc(OS(=O)(=O)F)cc1)CC2 1875381744 GINXUWPWDVMFEP-OAHLLOKOSA-N 351.399 3.258 70 50 FGIA CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)c1nc2ccccc2[nH]1 218514083 PBQITVJUKPEHII-DYVFJYSZSA-N 356.470 3.023 70 50 FGIA CSc1ncccc1C(=O)N1CCC(Cc2noc(C3CC3)n2)CC1 218540272 WOBKWSGCEVWHGD-UHFFFAOYSA-N 358.467 3.159 70 50 FGIA CC(=O)c1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)s1 218627125 BCIYPMSRVPCNHN-CVEARBPZSA-N 359.447 3.055 70 50 FGIA Cn1nnc(-c2cccc(NC(=O)c3cc4ccc(Cl)cc4n3C)c2)n1 218173452 FPXIMBZNWOCPTF-UHFFFAOYSA-N 366.812 3.275 70 50 FGIA O=C(N[C@H](Cc1ccncc1)C1CC(O)C1)c1cccc(-c2ccco2)c1 218247784 DLHHTPPNZBOSTH-SOAGJPPSSA-N 362.429 3.454 70 50 FGIA COc1ccc(Cn2nc(C)nc2Cn2ccc(=O)c3ccccc32)cc1 217132594 ABFFJMZSRFVYEM-UHFFFAOYSA-N 360.417 3.007 70 50 FGIA CCC[C@@H]1C[C@@H]1C(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O 216677433 RMRKDMWPFSPMJS-CJNGLKHVSA-N 371.481 3.041 70 50 FGIA Cc1cnc2c(Cl)c(C(=O)N[C@H]3[C@@H]4CCO[C@@H]4[C@@H]3C3CCCC3)nn2c1 218248777 PIXLOPFOKJJGAZ-YXPYIKCWSA-N 374.872 3.015 70 50 FGIA COCCN(CCSc1ccc(Cl)cc1)C(=O)[C@@H]1CC[C@H](N)C1 216881557 FJXNUBWDYXENMQ-HIFRSBDPSA-N 356.919 3.035 70 50 FGIA CC1(C)CC(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC(C)(C)O1 1875385523 VKUMDANGQVWOGB-UHFFFAOYSA-N 359.419 3.202 70 50 FGIA O=C1C[C@@H](c2cccnc2N2CCCCC2)c2cc3c(cc2O1)OCO3 217934341 BGWSHLGBQYCUDP-AWEZNQCLSA-N 352.390 3.242 70 50 FGIA biogenic Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)n1 218150780 VNLJNDBEEQKUOU-FQEVSTJZSA-N 360.461 3.433 70 50 FGIA COc1ccc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)cn1 218473841 MRDPSDQEYQFTGD-MAUKXSAKSA-N 369.446 3.077 70 50 FGIA O=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(c3ccccc3oc2=O)O1 217777498 VWSTXIIRZAPSAI-ZDUSSCGKSA-N 359.337 3.076 70 50 FGIA biogenic CC(=O)Nc1cccc2c1ccn2CC(=O)NCCn1ccc2ccccc21 217669258 UUHKFFBYTXKQPM-UHFFFAOYSA-N 374.444 3.371 70 50 FGIA biogenic C[C@@H](c1nccs1)N(C)C(=O)C1CCN(C(=O)Cc2ccccc2)CC1 216948865 GFVNLJKUGAPVIJ-HNNXBMFYSA-N 371.506 3.144 70 50 FGIA Cc1ccc2c(c1)C[C@@H](C(=O)NCCc1nccc(-c3ccccc3)n1)N2 217746121 FORHQEOQJLNNAO-FQEVSTJZSA-N 358.445 3.148 70 50 FGIA CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)nc(N)n1 218526611 SZYPVNKKIWPWOQ-QGZVFWFLSA-N 364.453 3.111 70 50 FGIA c1csc(CN2CCCN(Cc3cnc(N4CCCCC4)nc3)CC2)c1 218050988 ULLMWWDDMXSFAQ-UHFFFAOYSA-N 371.554 3.236 70 50 FGIA Cc1ccc(C(=O)Nc2cccnc2SCc2ccccn2)c(=O)n1C 218417291 UXANOBIHWWUCRD-UHFFFAOYSA-N 366.446 3.028 70 50 FGIA Cn1ccnc1[C@@H]1CCCN(Cc2ccc(OCCn3ccnc3)cc2)C1 217868286 MUNFYQFHTJJOFC-LJQANCHMSA-N 365.481 3.075 70 50 FGIA Cc1cccc([C@@H]2CCCN(C(=O)c3cc(CC(C)C)[nH]c(=O)n3)C2)c1 217388663 NTZRSQYXUOLIDH-QGZVFWFLSA-N 353.466 3.297 70 50 FGIA CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc([S@](C)=O)cc2)n1 161229810 SQRWBHLUBCBLDB-RUZDIDTESA-N 354.435 3.024 70 50 FGIA O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2nc(C3CC3)no2)C1 161069207 YYDBVUNFHYWCLR-UONOGXRCSA-N 353.344 3.274 70 50 FGIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccccc1OCc1ccccc1 218691451 UIFROMLEWTWJHZ-ZSXPUABSSA-N 367.445 3.045 70 50 FGIA O=C1C[C@@H](C(=O)N2CCCC[C@H]2c2cccnc2)CN1Cc1ccccc1 218030794 SHUIOYRYMUZZOL-UXHICEINSA-N 363.461 3.184 70 50 FGIA biogenic Cc1nc2ccc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cc2nc1C 217714511 KFHAFRLKRMLNCZ-FXAWDEMLSA-N 352.482 3.241 70 50 FGIA biogenic O=C(CCCc1nnc2ccc(Cl)nn12)Nc1ccc2[nH]ccc2c1 218234038 BSLWXYWPUUAVTH-UHFFFAOYSA-N 354.801 3.220 70 50 FGIA Cc1ccc(C)c(-n2ncc(NC(=O)N3CCC([C@@H](C)O)CC3)c2C)c1 160849971 KQUDBVQLNZOXMM-MRXNPFEDSA-N 356.470 3.422 70 50 FGIA COC(=O)C[C@H](c1ccccc1)c1oc(CN2CCCCC2)cc(=O)c1O 217925890 KFKVLBIONALXRJ-QGZVFWFLSA-N 371.433 3.026 70 50 FGIA biogenic CC1(C)CCc2cc(CC(=O)N[C@H](CO)Cc3ccccc3)ccc2O1 217798787 RORBAYYEFSXYBP-IBGZPJMESA-N 353.462 3.053 70 50 FGIA biogenic C[C@H](CCc1ccccc1)NC(=O)Cn1cc(-c2ccccc2)ncc1=O 218146575 REQAGUSOKBVZMG-QGZVFWFLSA-N 361.445 3.048 70 50 FGIA CN(C[C@@H]1COCCO1)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 217739531 SDANXTJLHSQQNG-OAHLLOKOSA-N 363.498 3.475 70 50 FGIA COc1cccc(OCC(=O)NC[C@H]2CCN(c3ccccc3C)C2)c1 218086754 HMAFNTVHMUHMGA-QGZVFWFLSA-N 354.450 3.025 70 50 FGIA O=C(CCc1nnc(-c2ccccc2)o1)NC[C@@H]1CCCN2CCCC[C@H]12 217874708 QCNWLEDEBRCJFO-ZWKOTPCHSA-N 368.481 3.050 70 50 FGIA biogenic COc1ccc2c(c1)[C@H](NC(=O)c1ccn(C(F)F)n1)CC(C)(C)O2 218765179 RZXMMIGARGSTJK-CYBMUJFWSA-N 351.353 3.319 70 50 FGIA COc1cccc(-c2cccc(C(=O)NCCSc3nncn3C)c2)c1 217543103 PSDCJXLCLWATCT-UHFFFAOYSA-N 368.462 3.013 70 50 FGIA O=C(NCc1ccnc(OCC2CC2)c1)N1CCO[C@H](c2cccs2)C1 159931096 MOEXOVFYPAWLNN-INIZCTEOSA-N 373.478 3.215 70 50 FGIA O=S(=O)(F)c1cccc(S(=O)(=O)Nc2ccc(C3CC3)c(F)c2)c1 460092956 OHRPRMXMZGBDMS-UHFFFAOYSA-N 373.402 3.162 70 50 FGIA Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 217726115 RKEGIDYWABTJLP-QFBILLFUSA-N 370.472 3.221 70 50 FGIA biogenic O=S(=O)(F)c1cccc(-c2nc(O)c3c4c(sc3n2)CCC4)c1 888096394 SYUNHHIDSXHGLN-UHFFFAOYSA-N 350.396 3.211 70 50 FGIA COc1cc(NC(=O)CC2(n3cccc3)CCOCC2)cc(OC)c1OC 218428663 AJHVXJQWGVKILG-UHFFFAOYSA-N 374.437 3.048 70 50 FGIA COc1cc(CC(=O)N(C)Cc2cc(C(C)C)on2)c(C(C)=O)cc1OC 218233084 KSALUMKXACIRAY-UHFFFAOYSA-N 374.437 3.219 70 50 FGIA COC(=O)c1ccccc1Nc1c(NCc2cccc(Cl)c2)c(=O)c1=O 218134126 HWUCEYICPAMBDE-UHFFFAOYSA-N 370.792 3.078 70 50 FGIA CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)CSc1ccccn1 218248288 QKUIZGWXELGOEZ-UHFFFAOYSA-N 358.442 3.280 70 50 FGIA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc3sc(C)nc3c1)C2 216852974 ZTVMRTXDPYXMHF-CABCVRRESA-N 357.479 3.078 70 50 FGIA CCc1nccn1[C@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1 160739326 USPMLEJVBOWJEJ-LBPRGKRZSA-N 370.379 3.073 70 50 FGIA Cc1nc(C(C)C)sc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 216635033 RAACKHUHQBUQBC-CABCVRRESA-N 361.511 3.048 70 50 FGIA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CC1=CSC2=NCCN12 218178517 NBLGMNPXNFSIDJ-HNNXBMFYSA-N 357.479 3.363 70 50 FGIA Cc1c(C)c(C)c(CNC(=O)N2CCOC3(CCOCC3)C2)c(C)c1C 160650514 AUEWUUKEIPHAOE-UHFFFAOYSA-N 360.498 3.320 70 50 FGIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(C(C)C)cc1 217647901 BAPSYEHKKQBLKO-CQSZACIVSA-N 355.390 3.116 70 50 FGIA biogenic COc1cc2c(c(OC)c1OC)[C@H](c1ccc3nccnc3c1)CC(=O)O2 217954284 AIKQHRVWTCCBKA-LBPRGKRZSA-N 366.373 3.097 70 50 FGIA biogenic Cc1ccc2[nH]c(SCC(=O)N3CCC[C@@H](c4ccncn4)C3)nc2c1 217628815 CMHUZJXVEODAIM-CQSZACIVSA-N 367.478 3.160 70 50 FGIA O=C(Nc1nnc(-c2ccsc2)s1)N[C@H]1CCN(c2ccccn2)C1 161257741 PPFJDGHIKCYERD-LBPRGKRZSA-N 372.479 3.062 70 50 FGIA O=C(CSc1ccc(Cl)cc1)NCCc1noc([C@H]2CCCO2)n1 218640398 OOQZMCDJSLYWTA-CYBMUJFWSA-N 367.858 3.026 70 50 FGIA CCS(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2ccccn2)cc1 217668261 OQJUXCHBUIRKDQ-GOSISDBHSA-N 373.478 3.211 70 50 FGIA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cccc3cc(C)oc13)C2 217186546 SBJKZRUOLZJHOF-SFHVURJKSA-N 353.422 3.427 70 50 FGIA CN(Cc1cnc2ccccc2n1)C(=O)CN1CC[C@@H](c2ccccc2)C1 218129615 GGFZGINUYDLYGL-GOSISDBHSA-N 360.461 3.078 70 50 FGIA CSc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(O)cc3)C2)c1 218309497 OUPSNYWPZWZFKD-HNNXBMFYSA-N 370.474 3.144 70 50 FGIA O=C(CCC(=O)N1CCC(NCC2CC2)CC1)c1ccc2c(c1)CCC2 159757751 FKVZXWOQJLKXBF-UHFFFAOYSA-N 354.494 3.129 70 50 FGIA Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(OS(=O)(=O)F)cc1)C2 1875385663 YGWXOHMNBRUIAF-OAHLLOKOSA-N 367.423 3.244 70 50 FGIA Cc1scc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)c1-c1ccccc1 218436813 PHLHBEYNUWJMBM-LJQANCHMSA-N 356.447 3.390 70 50 FGIA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1ccc(-n2cccn2)cc1 218629589 JAWMDEVTCGTTEZ-NMLBUPMWSA-N 351.450 3.196 70 50 FGIA Cc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc(S(=O)(=O)F)cc1)N2 100708285 ANSDPKGXRTWHEX-QGZVFWFLSA-N 370.409 3.301 70 50 FGIA CC[C@H](NC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1)c1nc2cc(C)ccc2[nH]1 217582659 KTXPHULWXIGSHB-LBPRGKRZSA-N 367.453 3.133 70 50 FGIA CN(CCC(F)(F)F)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 161011413 HHEXTEXYXOGIMQ-UHFFFAOYSA-N 355.360 3.469 70 50 FGIA CN1C(=O)C[C@H](CNC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21 217829911 MPUSEPXBCLTQDI-QGZVFWFLSA-N 363.461 3.167 70 50 FGIA COc1cc(OC)c([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1OC 217818611 WGXBPXGTDPTLTI-ZDUSSCGKSA-N 372.373 3.062 70 50 FGIA biogenic CC(=O)c1c(C)nn([C@@H](C)CC(=O)N2CCC(c3n[nH]cc3C)CC2)c1C 218047223 VIJFBWBZHQVLOB-ZDUSSCGKSA-N 371.485 3.091 70 50 FGIA CSCC[C@@H](CO)NC(=O)c1cc(-c2cc(Cl)ccc2Cl)n[nH]1 218318826 FOYKQFQXJVRAEC-JTQLQIEISA-N 374.293 3.227 70 50 FGIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CC[C@H](c2ccccc2)C1 1875382480 CNRYSQYKTONHCL-AWEZNQCLSA-N 364.398 3.301 70 50 FGIA Oc1c([C@H](c2cccc(OC(F)F)c2)N2CCCC2)sc2ncnn12 218491029 ZJCREQBRAFMDKA-LBPRGKRZSA-N 366.393 3.283 70 50 FGIA COC(=O)N1CCCC[C@H]1C(=O)N1CCC(c2ccccc2OC)CC1 218653176 MRGIDQCSNWDHAJ-KRWDZBQOSA-N 360.454 3.022 70 50 FGIA O=S(=O)(Cl)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 80928543 UCHAULDYIPVTOP-UHFFFAOYSA-N 372.670 3.496 70 50 FGIA in-vitro Cc1ccc2[nH]c([C@@H](NC(=O)c3cc4c([nH]c3=O)CCC4)C(C)C)nc2c1 217040381 YIDWEPKWKWZGJY-SFHVURJKSA-N 364.449 3.175 70 50 FGIA CCC1(CO)CCN(Cc2cc(C)cc(CN3CCN(C)CC3)c2C)CC1 217412587 ANIQIWLTRKUSIC-UHFFFAOYSA-N 373.585 3.035 70 50 FGIA C[C@@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)[C@@H](O)Cc1ccccc1 160543859 DTWZMWCGAQZSKK-DYVFJYSZSA-N 368.437 3.007 70 50 FGIA COc1ccc2[nH]c(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c(C)c2c1 217780534 LBKKOBZEZMOUDN-HNAYVOBHSA-N 355.482 3.479 70 50 FGIA biogenic Cn1c(=O)c([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc2ccccc21 217947778 DLZKFUCDHCYVQK-AWEZNQCLSA-N 373.364 3.086 70 50 FGIA biogenic COc1ccc(CC(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)cc1 218116037 RCVVBRICVWWGHM-MXNKGDRCSA-N 351.446 3.000 70 50 FGIA CC(C)CCn1cnc2ccc(NC(=O)CCCn3cccn3)cc2c1=O 218438337 IPUYAKJTJBESET-UHFFFAOYSA-N 367.453 3.058 70 50 FGIA O=C1CCc2ccc(OCC(=O)N3CCCC[C@H]3c3cccnc3)cc2N1 218101524 DBXVLKMKEOAECQ-IBGZPJMESA-N 365.433 3.099 70 50 FGIA biogenic C[C@@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)[C@H](O)Cc1ccccc1 160543628 DTWZMWCGAQZSKK-CXAGYDPISA-N 368.437 3.007 70 50 FGIA C[C@H](COCC(=O)Nc1ccc(OS(=O)(=O)F)cc1)c1ccccc1 1875384403 GOUAYOKVJSLDHZ-CYBMUJFWSA-N 367.398 3.039 70 50 FGIA O=C([C@@H]1CCc2ccccc2O1)N1CCCN(c2ccc(F)cc2)CC1 218590323 JCTRCRWJQFWNJE-FQEVSTJZSA-N 354.425 3.258 70 50 FGIA CCCc1nc(C)c(CNC(=O)C2(N3CCOCC3)CCCCC2)s1 218293551 FYPFBORAIALEGG-UHFFFAOYSA-N 365.543 3.055 70 50 FGIA CC(C)[C@H](NC(=O)c1cc(-c2cccnc2)n[nH]1)c1nc2ccccc2n1C 218235773 QLNRCWUAZQZPEC-IBGZPJMESA-N 374.448 3.486 70 50 FGIA COc1cccc([C@@H]2CCCN2C(=O)COc2ncnc3ccccc23)c1 218208092 HPTNEHCWBBFOMS-IBGZPJMESA-N 363.417 3.381 70 50 FGIA O=C(Nc1nccs1)[C@H]1CCCN1C(=O)C1C2CC3CC(C2)CC1C3 159835670 PIHNQVGZXTUIQL-BAPHQMLMSA-N 359.495 3.145 70 50 FGIA C[C@H](O)c1cc2n(n1)CCCN(Cc1cc(CN3CCCCC3)cs1)C2 217480771 PCYFXKHLKSYVRG-INIZCTEOSA-N 374.554 3.390 70 50 FGIA CC(C)(C)OC(=O)N1CCC[C@H](Cc2ccc(OS(=O)(=O)F)cc2)C1 1875374429 PUNKNYJPWFCZEM-CQSZACIVSA-N 373.446 3.469 70 50 FGIA CN(C)c1nc(C[C@H]2CC(=O)N(c3ccccc3)C2)cc(C(F)(F)F)n1 218276705 PGDNXCHNIZOXFY-LBPRGKRZSA-N 364.371 3.157 70 50 FGIA CCN(Cc1ccoc1)C(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F 160646450 OEUMUTJXWJILSF-UHFFFAOYSA-N 367.327 3.147 70 50 FGIA Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccco1)CC(=O)O2 217941374 BZNXMAAWPDMRJI-INIZCTEOSA-N 365.385 3.139 70 50 FGIA biogenic Cc1cc(C(=O)N2CCn3nc([C@H](C)O)cc3C2)c2cccc(Cl)c2n1 217359789 OSUWRRODFSVDAW-LBPRGKRZSA-N 370.840 3.102 70 50 FGIA O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2noc(C3CC3)n2)C1 161162250 CNDQCHMUJYSXMY-UONOGXRCSA-N 353.344 3.274 70 50 FGIA COc1ccc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)cn1 218473692 MRDPSDQEYQFTGD-YJBOKZPZSA-N 369.446 3.077 70 50 FGIA CN(Cc1cc[nH]n1)C(=O)c1cccnc1SCCc1ccccc1 217550085 WKQUACYBNNQINC-UHFFFAOYSA-N 352.463 3.412 70 50 FGIA CCCc1nc2ccccc2n1[C@H](C)C(=O)N1CCC(c2nnc[nH]2)CC1 218380940 YVYMNLGIEWSVJN-CQSZACIVSA-N 366.469 3.074 70 50 FGIA C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1C(F)(F)F 160925967 HZHBWLPAFVZGMR-GFCCVEGCSA-N 365.417 3.410 70 50 FGIA Cc1c(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)[nH]c2ccccc12 218422486 SEFIQFKEQZEVTO-SJORKVTESA-N 371.462 3.037 70 50 FGIA Nc1nnc(CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)s1 218709951 GQMPYCNESOKXSX-UHFFFAOYSA-N 350.875 3.292 70 50 FGIA C[C@@H](NC(=O)c1ccccc1OC(F)F)c1nncn1C1CCCC1 218098254 GKZSOHZKERHBDE-LLVKDONJSA-N 350.369 3.486 70 50 FGIA O=C(NCCc1noc(C(F)(F)F)n1)c1ccc(N2CCCCC2)cc1 217167929 ZHTFHTPIIUADPA-UHFFFAOYSA-N 368.359 3.051 70 50 FGIA C[C@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)[C@@H](O)Cc1ccccc1 160543742 DTWZMWCGAQZSKK-GUYCJALGSA-N 368.437 3.007 70 50 FGIA C[C@@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)CCc2ccc(O)cc21 1875387758 WCVNLZMEHVCTJN-CYBMUJFWSA-N 365.426 3.147 70 50 FGIA Cc1cccc([C@H]2CCCN(C(=O)c3cc(CC(C)C)[nH]c(=O)n3)C2)c1 217388739 NTZRSQYXUOLIDH-KRWDZBQOSA-N 353.466 3.297 70 50 FGIA CC[C@H](O)c1cc2n(n1)CCCN(Cc1nn(C)c3cccc(Cl)c13)C2 217006480 PWVPOHJIYQNABA-SFHVURJKSA-N 373.888 3.273 70 50 FGIA Cc1nccc(C2CCN(C(=O)CCc3ccc(N(C)C)cc3)CC2)n1 217110439 TZABUTSASKMYKD-UHFFFAOYSA-N 352.482 3.190 70 50 FGIA Cc1ccc(N(C)C(=O)c2ccc(-c3ccco3)[nH]c2=O)cc1N(C)C 160794940 GNKVNWOZHSIZBB-UHFFFAOYSA-N 351.406 3.286 70 50 FGIA C[C@H]1CCc2c(C(=O)N3CCC[C@H]3CC(=O)c3cnn(C)c3)csc2C1 159930207 JTKONZYTILQCAO-ZFWWWQNUSA-N 371.506 3.484 70 50 FGIA COC(=O)C[C@@H](c1ccccc1)c1oc(CN2CCCCC2)cc(=O)c1O 217925968 KFKVLBIONALXRJ-KRWDZBQOSA-N 371.433 3.026 70 50 FGIA biogenic CC(C)c1nnsc1CN1CCCn2nc([C@@H](O)C3CCC3)cc2C1 218121239 JBKQWFVZRYXLTQ-SFHVURJKSA-N 361.515 3.097 70 50 FGIA COC(=O)C[C@@H](c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O)C(C)C 217713451 BZTJRSSTSTWQAX-QGZVFWFLSA-N 373.449 3.113 70 50 FGIA biogenic CCCCc1cc(=O)oc2cc(OCC(=O)NCCn3cccc3)ccc12 218004039 YVUNVXJRUBWIOX-UHFFFAOYSA-N 368.433 3.132 70 50 FGIA biogenic NC(=O)C[C@H](c1c(F)cccc1Cl)c1c(Cc2ccccc2)[nH][nH]c1=O 218511755 XJUAEDVHEDQZLO-GFCCVEGCSA-N 373.815 3.094 70 50 FGIA O=C(CCc1ccc(F)cc1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218571329 JHSBAMADTYWLSU-FQVRHNBASA-N 369.436 3.322 70 50 FGIA Cc1nnc(CN(C)C(=O)[C@@H](C)n2c(CC(C)C)nc3ccccc32)o1 217152476 UJCYBUQHAJXFDZ-CYBMUJFWSA-N 355.442 3.146 70 50 FGIA Cc1ccc(C2(C(=O)N3CCN(Cc4ccccc4F)C(=O)C3)CC2)cc1 218476624 VRXKRPVBAGVJBP-UHFFFAOYSA-N 366.436 3.037 70 50 FGIA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cccc(OCc3ccccn3)c1)C2 217634155 PYUXCXHLTDRNEB-NGRWLJPCSA-N 351.494 3.433 70 50 FGIA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 160840577 WWXCPQDKKLRCJY-IAGOWNOFSA-N 364.530 3.269 70 50 FGIA CCN1CCC[C@@H]1CNC(=O)Cc1csc2nc(-c3ccccc3)cn12 218482577 ZZEOTPQGINHWMB-MRXNPFEDSA-N 368.506 3.206 70 50 FGIA C[C@H](NC(=O)c1cnc2cc(Cl)ccc2c1O)c1nnc2ccccn12 218137776 FZFXJDWDCKQZPE-JTQLQIEISA-N 367.796 3.128 70 50 FGIA CC(C)c1nnsc1CN1CCCn2nc([C@H](O)C3CCC3)cc2C1 218121310 JBKQWFVZRYXLTQ-GOSISDBHSA-N 361.515 3.097 70 50 FGIA O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1ccc(S(=O)(=O)F)cc1 865206748 SXXWHKGUUBTBTJ-CQSZACIVSA-N 369.801 3.252 70 50 FGIA Cc1ccc(Cc2ccccc2C(=O)N(C)C[C@H]2COCCO2)cc1F 217126085 ROGQJPOPTJHVGY-SFHVURJKSA-N 357.425 3.212 70 50 FGIA CCOCCOc1ccccc1C(=O)N1CCN(C)[C@H](c2ccccc2)C1 217523041 TUXLEPHPUSHMQG-FQEVSTJZSA-N 368.477 3.231 70 50 FGIA Cc1ccccc1SC1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 218258551 MUHOLCFFCHVPCR-UHFFFAOYSA-N 369.538 3.333 70 50 FGIA CNC(=O)[C@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)cc2)C1 218604880 HAYLPUBJQQMGGJ-FQEVSTJZSA-N 350.462 3.271 70 50 FGIA CN(Cc1c[nH]nc1-c1ccccc1)C(=O)[C@@H](O)c1cccc(Cl)c1 218568391 JTRROIRITLCZLP-SFHVURJKSA-N 355.825 3.422 70 50 FGIA Cc1ncsc1CCNC(=O)CCSc1ccc2c(c1)OCCO2 217907799 QDJZITNYXGQBQE-UHFFFAOYSA-N 364.492 3.064 70 50 FGIA C[C@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)N1CCc2ccccc21 160576447 TZDLHGHYVIQUAP-GFCCVEGCSA-N 367.375 3.018 70 50 FGIA O=C(NCc1cnn2cccnc12)c1cc(N2CCCCC2)ccc1Cl 218617016 RFOKJVVDEZPEDO-UHFFFAOYSA-N 369.856 3.303 70 50 FGIA O=C(c1cccc(-c2ncn[nH]2)c1)N1CC[C@H](Oc2ccccc2Cl)C1 160067435 FJZPGHCULTVDOC-HNNXBMFYSA-N 368.824 3.419 70 50 FGIA Cc1[nH]c2c(C(=O)N3CCCn4nc([C@@H](C)O)cc4C3)cccc2c1C 217379196 NSZSWWFEGYRBQA-CQSZACIVSA-N 352.438 3.081 70 50 FGIA COc1ccc(-c2c(C)oc3cc(OS(=O)(=O)F)ccc3c2=O)cc1 1875368518 XYZZDBXMLRRYBE-UHFFFAOYSA-N 364.350 3.370 70 50 FGIA CN(CC(=O)NCc1cc(-c2ccccc2Cl)on1)Cc1ccncc1 218015227 FHFCQBOMIAJXIX-UHFFFAOYSA-N 370.840 3.138 70 50 FGIA Cc1nc(NCCc2nc3c(C)c(C)ccc3[nH]2)cc(C2CC(O)C2)n1 218068295 IAKCUAORNKOSQC-UHFFFAOYSA-N 351.454 3.171 70 50 FGIA COc1ccc(CN2CCCn3nc([C@@H](O)C4CCC4)cc3C2)c(OC)c1 218265786 QBQASYHXFKXXNL-NRFANRHFSA-N 371.481 3.140 70 50 FGIA COc1ccc(CN2CCCn3nc([C@H](O)C4CCC4)cc3C2)c(OC)c1 218265841 QBQASYHXFKXXNL-OAQYLSRUSA-N 371.481 3.140 70 50 FGIA Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1OCc1ccccn1)CC(=O)O2 217947566 KZVNKKOADAXZBD-MRXNPFEDSA-N 363.369 3.363 70 50 FGIA biogenic Cc1nn(CCC(=O)N(C)Cc2nccn2Cc2ccccc2)c(C)c1C 218188662 QHGXOBUCADXRTP-UHFFFAOYSA-N 365.481 3.102 70 50 FGIA COc1ccc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)cn1 218473910 MRDPSDQEYQFTGD-CRAIPNDOSA-N 369.446 3.077 70 50 FGIA Cc1cc(Oc2ccc(NS(=O)(=O)c3c[nH]c4ncccc34)cc2)n[nH]1 160684200 RMOHTMUAJPBHOZ-UHFFFAOYSA-N 369.406 3.188 70 50 FGIA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cccc2c1oc(=O)n2C 159662158 OAGBXCWMICSRPE-AWEZNQCLSA-N 354.406 3.476 70 50 FGIA CN(Cc1ccccc1-c1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 160960214 XGWBZORHVAZEDZ-SFHVURJKSA-N 361.449 3.102 70 50 FGIA C[C@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)CCc2ccc(O)cc21 1875387759 WCVNLZMEHVCTJN-ZDUSSCGKSA-N 365.426 3.147 70 50 FGIA COC(=O)N1CCCC[C@@H]1C(=O)N1CCC(c2ccccc2OC)CC1 218653095 MRGIDQCSNWDHAJ-QGZVFWFLSA-N 360.454 3.022 70 50 FGIA COc1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1OC 217921629 NAUFAOJHURWCJX-ZDUSSCGKSA-N 352.342 3.251 70 50 FGIA biogenic Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](CO)C(C)C)c(C)c3cc2c1C 217717128 VHKAQMQIRLPBQE-QGZVFWFLSA-N 371.433 3.140 70 50 FGIA biogenic COc1ccccc1[C@@H](NC(=O)N1CC[C@]2(CCOC2)C1)c1ccco1 160532536 VTGNZJRUXWJZKR-QUCCMNQESA-N 356.422 3.200 70 50 FGIA c1cncc(CN(Cc2cccnc2)Cc2cnc(N3CCCCC3)nc2)c1 218365657 KSYZNVNBSUAXTM-UHFFFAOYSA-N 374.492 3.459 70 50 FGIA CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)c1nc2ccccc2[nH]1 218195626 GUSGWZKUYAVMPF-DOXZYTNZSA-N 370.497 3.271 70 50 FGIA COc1cc(OC)c([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1OC 217818685 WGXBPXGTDPTLTI-CYBMUJFWSA-N 372.373 3.062 70 50 FGIA biogenic CCC(CC)[C@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)N1CCOCC1 160543588 RSTKWDIXNLNPQQ-RTBURBONSA-N 366.546 3.122 70 50 FGIA O=C1C[C@@H](c2coc3ccccc3c2=O)c2c(c3ccccc3oc2=O)O1 217784621 NSIWFIPFXVEVKW-ZDUSSCGKSA-N 360.321 3.340 70 50 FGIA biogenic Cc1cc2c(c(=O)o1)[C@@H](c1coc3ccc(Cl)cc3c1=O)CC(=O)O2 218028820 NCGSSRUHZXKIKQ-SNVBAGLBSA-N 358.733 3.149 70 50 FGIA biogenic CN=[S@@](C)(=O)c1cccc(NCc2cc(S(=O)(=O)F)ccc2C)c1 1875381124 KYLWAQJNABQDDW-QHCPKHFHSA-N 370.471 3.352 70 50 FGIA Cc1ccc([C@@H](NC(=O)CCC(=O)NC2CCCC2)c2ccncc2)cc1 216947545 ZXSGMYYQBQIOPZ-JOCHJYFZSA-N 365.477 3.435 70 50 FGIA C[C@H]1CN(C(=O)OC(C)(C)C)CCc2ccc(OS(=O)(=O)F)cc21 1875374362 LYMRYAWAGKZYIW-NSHDSACASA-N 359.419 3.176 70 50 FGIA O=C(COCc1nc2cc(F)ccc2[nH]1)NCc1ccc2ccccc2n1 217869408 AGLIZOUHLAFVLT-UHFFFAOYSA-N 364.380 3.083 70 50 FGIA O=C(c1cnc2ccc(F)cc2c1O)N1CCN(Cc2ccccc2)CC1 218386959 PZUZYZWQBCTCEX-UHFFFAOYSA-N 365.408 3.038 70 50 FGIA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)C1=Cc2cc(Cl)ccc2OC1 218286120 KDNTXWYAMUPSGR-VVFCZOMOSA-N 370.836 3.139 70 50 FGIA O=C(C[C@@H]1CCCC2(CCC2)O1)Nc1ccc(OS(=O)(=O)F)cc1 1875384635 HSFGPJBDNLWADI-AWEZNQCLSA-N 357.403 3.100 70 50 FGIA CC(C)[C@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1nc2ccccc2n1C 218369788 LIGFPGBVMWAWAF-IBGZPJMESA-N 374.448 3.486 70 50 FGIA O=C(CCc1cccc(F)c1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218592530 DUTNMSXFKVOKDE-FQVRHNBASA-N 369.436 3.322 70 50 FGIA Cc1cc(C)n(Cc2cccc(C(=O)N(C)Cc3n[nH]c4c3CCC4)c2)n1 218519241 VKPNWAKJWMVDOY-UHFFFAOYSA-N 363.465 3.032 70 50 FGIA CN1CCN(C(=O)CCC(=O)NC2CCCCCC2)C[C@@H]1c1ccccc1 217077014 NQIJKKYLMZFZMV-HXUWFJFHSA-N 371.525 3.121 70 50 FGIA COCCn1c([C@H](C)NC(=O)Cc2ccccc2OC)nc2ccccc21 218319623 PGZMJGYNJUQYCT-HNNXBMFYSA-N 367.449 3.111 70 50 FGIA CCCc1nc2ccccc2n1[C@@H](C)C(=O)N1CCC(c2nnc[nH]2)CC1 218380878 YVYMNLGIEWSVJN-AWEZNQCLSA-N 366.469 3.074 70 50 FGIA CCN(CC)Cc1cc(C(=O)NCc2cn3c(C)cccc3n2)c(C)o1 217102161 IQNNSWGVJDTLOD-UHFFFAOYSA-N 354.454 3.316 70 50 FGIA Cc1nc2sc([C@H](c3cc(F)c(F)c(F)c3)N3CCCC3)c(O)n2n1 218437585 YXBYIOLYHPXVMT-ZDUSSCGKSA-N 368.384 3.407 70 50 FGIA Cc1sc(-n2cccc2)nc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 217741671 BSRFJBMEKOTWJC-JKSUJKDBSA-N 358.511 3.237 70 50 FGIA biogenic CC(=O)c1ccc2c(c1O)[C@@H](c1cc(Cl)c3c(c1)OCO3)CC(=O)O2 217839308 SQULNFOSVLCYAU-LLVKDONJSA-N 360.749 3.418 70 50 FGIA biogenic CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2cc(C(C)C)on2)nc(=O)[nH]1 218489372 KVNJNXGRDFQXGN-INIZCTEOSA-N 358.442 3.057 70 50 FGIA COc1cc2c(c(OC)c1OC)[C@@H](c1ccc3nccnc3c1)CC(=O)O2 217954205 AIKQHRVWTCCBKA-GFCCVEGCSA-N 366.373 3.097 70 50 FGIA biogenic O=S(=O)(Cl)c1c(F)c(Br)cc(F)c1Br 95713624 OTBDNAGWXGDPNX-UHFFFAOYSA-N 370.396 3.417 70 50 FGIA O=C(Nc1ccnn1C[C@H]1CCOC1)N1CCc2c(Cl)cccc2C1 159665193 FZNZOFOAJHNDOM-CYBMUJFWSA-N 360.845 3.163 70 50 FGIA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccc2c3c([nH]c2c1)CCCC3 218378019 RZXKLISEZUFXQY-RTWAWAEBSA-N 368.477 3.361 70 50 FGIA O=C(CCc1cccc(F)c1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218592605 DUTNMSXFKVOKDE-RKOYOZNISA-N 369.436 3.322 70 50 FGIA O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc2[nH]cnc12 159672811 BZLNKOSEKMDQRR-HNNXBMFYSA-N 368.824 3.142 70 50 FGIA CCOC(=O)/C(C)=C/CCc1ccccc1OS(=O)(=O)C(F)(F)F 102319193 ZWOYABQHAYCUDG-YRNVUSSQSA-N 366.357 3.357 70 50 FGIA O=C(Nc1ccccc1)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 217034572 QRLHBVDXPJKERQ-HNNXBMFYSA-N 356.397 3.082 70 50 FGIA Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCc1cccnc1 161346618 URLBSPADVHGUFF-UHFFFAOYSA-N 371.238 3.268 70 50 FGIA CC[C@H](NC(=O)CCCN1Cc2ccccc2C1)c1cn2cccnc2n1 217047199 NPTPMHPIDHYLGQ-SFHVURJKSA-N 363.465 3.093 70 50 FGIA COc1ccccc1[C@H](NC(=O)N1CC[C@@]2(CCOC2)C1)c1ccco1 160532668 VTGNZJRUXWJZKR-AZUAARDMSA-N 356.422 3.200 70 50 FGIA COc1ccc(F)c(F)c1C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 218748401 NYGTVLMXVVGODO-CQSZACIVSA-N 362.376 3.190 70 50 FGIA C[C@@H](COCC(=O)Nc1ccc(OS(=O)(=O)F)cc1)c1ccccc1 1875384581 GOUAYOKVJSLDHZ-ZDUSSCGKSA-N 367.398 3.039 70 50 FGIA O=C(NCc1cnc2ccccc2c1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 217020971 NVDIWRIIEYLGFY-RBUKOAKNSA-N 365.477 3.280 70 50 FGIA Cc1cc(C)n(CC(=O)N2CCCCC[C@H]2c2cccc(F)c2)c(=O)n1 218741178 VILUHOYOHPPBMF-SFHVURJKSA-N 357.429 3.143 70 50 FGIA COc1ccccc1-n1cc(CNC(=O)c2c(OC)ccc(F)c2F)cn1 217215795 VKPNDHSIKVHIKY-UHFFFAOYSA-N 373.359 3.098 70 50 FGIA C[C@@H]1CN(Cc2cccc(CNC(=O)C3CCC(F)(F)CC3)c2)CCO1 159912898 PREDPTHNAWOLRC-OAHLLOKOSA-N 366.452 3.349 70 50 FGIA O=S(=O)(F)Oc1ccc(CN(C[C@H]2CCCO2)C2CCCC2)cc1 1875387471 JOJCUIGHJFMHMQ-QGZVFWFLSA-N 357.447 3.203 70 50 FGIA O=C(c1ccccc1OCCc1ccccc1)N1CCN2CCC[C@H]2C1 217098224 BFFURDNACCUNAU-IBGZPJMESA-N 350.462 3.228 70 50 FGIA O=C(CCc1ccc(F)c(F)c1)N1CCCO[C@H](CN2CCCCC2)C1 217081638 XIDJWJQSGGURBP-QGZVFWFLSA-N 366.452 3.001 70 50 FGIA O[C@@H](c1cc2n(n1)CCCN(CCCOc1ccc(F)cc1)C2)C1CC1 218513730 ZDCJSUDSIMIWOP-HXUWFJFHSA-N 359.445 3.140 70 50 FGIA COc1ccc2c(O)c(C(=O)Nc3cccc(NC(C)=O)c3)cnc2c1 218200626 DXBZWQWPAUPYPW-UHFFFAOYSA-N 351.362 3.160 70 50 FGIA COc1ccc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)cn1 218473767 MRDPSDQEYQFTGD-QAPCUYQASA-N 369.446 3.077 70 50 FGIA CC(C)c1nc(NC(=O)c2cn(-c3ccccc3)c(=O)c3ccccc23)n[nH]1 218390492 NFQPTADFFMGCSA-UHFFFAOYSA-N 373.416 3.485 70 50 FGIA CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2OC)cc1 218206201 IRFGBCOLPRQNJF-SFHVURJKSA-N 352.434 3.103 70 50 FGIA Cc1c(NC(=O)N2CC[C@@]3(CCOC3)C2)cnn1-c1cccc(Cl)c1 161084503 JLBYLVYPNVBYFB-GOSISDBHSA-N 360.845 3.478 70 50 FGIA Cc1ccn(CCC(=O)N[C@H](CCn2ccnc2C)c2ccccc2)n1 218522521 JCEWLOCBKXOHDU-LJQANCHMSA-N 351.454 3.034 70 50 FGIA Cc1ccc(C(=O)/C=C/c2ccc(OS(=O)(=O)F)cc2)cc1[N+](=O)[O-] 1875382911 WYMICVPHCAMVNH-WEVVVXLNSA-N 365.338 3.392 70 50 FGIA COc1ccc(CNC(=O)c2sc(-c3ccncc3)nc2C)cc1OC 218190332 YEYLPOCAUWTCGK-UHFFFAOYSA-N 369.446 3.461 70 50 FGIA Cc1ncsc1CCN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 217711881 PMBBIHZUNWPXNH-KRWDZBQOSA-N 371.506 3.147 70 50 FGIA O=S(=O)(F)Oc1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)cc1 1875387470 JOJCUIGHJFMHMQ-KRWDZBQOSA-N 357.447 3.203 70 50 FGIA Cc1nc([C@@H]2CC(=O)OC23CCCCC3)n(Cc2ccc3c(c2)OCO3)n1 217886343 AVIKGWOIWINNNU-HNNXBMFYSA-N 369.421 3.097 70 50 FGIA O=C(NOCc1ccc(C(F)(F)F)cc1)[C@H]1COc2ccccc2O1 160681742 DOBQJRZOCMUFBB-OAHLLOKOSA-N 353.296 3.093 70 50 FGIA CC[C@@H](C(=O)NCCc1c(C)n[nH]c1C)n1cc(C(C)=O)c2ccccc21 217090878 KGRFQENBZLGFHP-IBGZPJMESA-N 366.465 3.494 70 50 FGIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1cccc2[nH]ccc12 218443158 XCFYVCBCENKQPK-HNNXBMFYSA-N 365.433 3.378 70 50 FGIA O=C(Nc1ccncc1)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 218369680 HUTNWJSIFYOIEO-UHFFFAOYSA-N 355.781 3.255 70 50 FGIA Cc1ccc2c(c1)C[C@H](C(=O)NCCc1nccc(-c3ccccc3)n1)N2 217746199 FORHQEOQJLNNAO-HXUWFJFHSA-N 358.445 3.148 70 50 FGIA Cc1ccc(S(=O)(=O)n2cc(S(=O)(=O)Cl)c3ccccc32)cc1 100130413 IJGVMXRUDJCUFD-UHFFFAOYSA-N 369.851 3.114 70 50 FGIA Cc1ccc(OCC(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)cc1C 218237867 XCJVDWZEPVGXFT-WOJBJXKFSA-N 373.424 3.174 70 50 FGIA Cc1[nH]c2ccccc2c1CC(=O)NC[C@H]1CC(=O)N(C)c2ccccc21 217714620 HVGFKKWDKCCVFM-OAHLLOKOSA-N 361.445 3.285 70 50 FGIA CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 160840447 WWXCPQDKKLRCJY-DLBZAZTESA-N 364.530 3.269 70 50 FGIA Cc1nc(O)cc(C2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)n1 218428980 DLVVHIMJACLGJI-UHFFFAOYSA-N 361.392 3.108 70 50 FGIA COc1ccc(Cl)c2c1N(C(=O)COc1c(C)nn(C)c1C)CCC2 160403270 OXDLWKVFGPSTEL-UHFFFAOYSA-N 363.845 3.057 70 50 FGIA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CC(=O)Nc2ccccc21 218155849 HHQCJOGYXVNGQQ-HXUWFJFHSA-N 374.444 3.231 70 50 FGIA COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1ccc2c(Cl)cccc21 218339181 SEWQCTQXVAOBFM-KRWDZBQOSA-N 370.836 3.195 70 50 FGIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CC[C@@H](c2ccccc2)C1 1875382481 CNRYSQYKTONHCL-CQSZACIVSA-N 364.398 3.301 70 50 FGIA CC[C@@H](C)[C@@H](CO)NC(=O)Cc1csc2nc(-c3ccccc3)cn12 218361757 XWSBLCXOWIUWDR-CXAGYDPISA-N 357.479 3.129 70 50 FGIA C[C@H](NC(=O)c1cnc2ccc(Cl)cc2c1O)c1nnc2ccccn12 218387740 CDINREFHYUOFPR-JTQLQIEISA-N 367.796 3.128 70 50 FGIA O=C(CCn1cnc2ccccc21)N1CCC[C@H](OCc2ccccn2)C1 218335884 NAHGHDZNBYTMGR-SFHVURJKSA-N 364.449 3.029 70 50 FGIA C[C@@H]1CCc2c(C(=O)N3CCC[C@@H]3CC(=O)c3cnn(C)c3)csc2C1 159929804 JTKONZYTILQCAO-UKRRQHHQSA-N 371.506 3.484 70 50 FGIA COCCn1cc(C(=O)N[C@H](CO)c2ccccc2)c2cc(Cl)ccc21 218402517 SZULLHJYZLNBTL-GOSISDBHSA-N 372.852 3.405 70 50 FGIA Cc1ccc2[nH]c(CCC(=O)NCc3cn4c(C)cccc4n3)nc2c1C 217676307 PZSLYVFEVMSQPX-UHFFFAOYSA-N 361.449 3.385 70 50 FGIA O=C(CCc1nc(-c2ccco2)no1)NCc1nc2ccc(Cl)cc2[nH]1 217200301 IFEWSVQWGNIJFI-UHFFFAOYSA-N 371.784 3.108 70 50 FGIA C[C@@H](C(=O)NC1CCN(c2ccc(F)cc2)CC1)n1cc(Cl)cn1 218631366 MCJBYYLLZVOZKE-LBPRGKRZSA-N 350.825 3.022 70 50 FGIA CN(C)c1ccc(C(=O)N2CCN(C3CCCC3)C(=O)C2)c2ccccc12 218540082 WETRFYAVUBOSGC-UHFFFAOYSA-N 365.477 3.133 70 50 FGIA CNC(=O)[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)cc2)C1 218604802 HAYLPUBJQQMGGJ-HXUWFJFHSA-N 350.462 3.271 70 50 FGIA O=C(c1sccc1Cl)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 217216368 AVMODRUNAPIVDF-INIZCTEOSA-N 373.865 3.336 70 50 FGIA CSCC[C@H](O)c1nc(-c2ccco2)nn1Cc1ccc2c(c1)OCO2 216908118 PBZOYTYTLKGXNV-ZDUSSCGKSA-N 373.434 3.102 70 50 FGIA CCc1nccn1[C@@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1 160739190 USPMLEJVBOWJEJ-GFCCVEGCSA-N 370.379 3.073 70 50 FGIA C[C@@H]1CN(C(=O)OC(C)(C)C)CCc2ccc(OS(=O)(=O)F)cc21 1875374361 LYMRYAWAGKZYIW-LLVKDONJSA-N 359.419 3.176 70 50 FGIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1cccc2[nH]ccc12 218443244 XCFYVCBCENKQPK-OAHLLOKOSA-N 365.433 3.378 70 50 FGIA Cc1nccc(C2CCN(C(=O)[C@H](c3ccccc3C)N(C)C)CC2)n1 217908076 PXNJAOJCMDKLFB-FQEVSTJZSA-N 352.482 3.102 70 50 FGIA N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCC(S(=O)(=O)F)CC1 1857798728 KCNVPUTULWYBIN-UHFFFAOYSA-N 369.805 3.135 70 50 FGIA Cc1csc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)n1 217856542 AIBQZGSQKKYLOR-IBGZPJMESA-N 354.479 3.136 70 50 FGIA COc1ccc(CC(=O)NC[C@H]2CCN(c3ccccc3C)C2)cc1OC 218032587 SWDJLSFSZYZCEB-GOSISDBHSA-N 368.477 3.197 70 50 FGIA N[C@@H]1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1 160319645 DVUKGOXGQWIBGT-LLVKDONJSA-N 352.221 3.354 70 50 FGIA O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 218427220 YFDSXIYBTXASAG-DJJZHVJBSA-N 353.466 3.205 70 50 FGIA O=C(c1cc2sccc2[nH]1)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1 218094252 LVJGJDWUZPWNDD-SFHVURJKSA-N 370.478 3.306 70 50 FGIA COc1ccccc1-c1noc(CCCC(=O)N(C)Cc2nccs2)n1 217086256 WBHWWVGYJSJBIW-UHFFFAOYSA-N 372.450 3.183 70 50 FGIA Cc1ccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cc1F 218349958 VHEMHHJHSAAMSD-LBXVMSDZSA-N 355.409 3.311 70 50 FGIA O=C([C@H]1CCCCN1Cc1ccccc1)N1CCC(Cn2ccnc2)CC1 218578140 FNHAWUZXSSCSQH-OAQYLSRUSA-N 366.509 3.176 70 50 FGIA CN(C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1)C1Cc2ccccc2C1 218166929 VAOWLDADCXPDJR-VQTJNVASSA-N 354.494 3.041 70 50 FGIA O=C(c1cc2c(s1)CCCCC2)N1CCCO[C@@H](Cn2cccn2)C1 217664624 FJWGZOJXUBVROF-MRXNPFEDSA-N 359.495 3.145 70 50 FGIA Cc1ccc([C@H](NC(=O)CCC(=O)NC2CCCC2)c2ccncc2)cc1 216947564 ZXSGMYYQBQIOPZ-QFIPXVFZSA-N 365.477 3.435 70 50 FGIA COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c(O)ccc2nsnc12 218545838 DMTSZYYCLYOQCL-VIFPVBQESA-N 364.810 3.451 70 50 FGIA O=S(=O)(Cl)c1ccc(F)c(Br)c1Br 263623021 CWUKLVADHCHAPQ-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)c2ccccc2)cc1Cl 218276405 XSDRYDJMDKGZAX-MRXNPFEDSA-N 371.824 3.202 70 50 FGIA Cc1ccc2nc(SCCC(=O)NCCn3cccn3)cc(C)c2c1 217129911 GRKSCBOPIPLRHJ-UHFFFAOYSA-N 354.479 3.347 70 50 FGIA CC(C)c1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2)nn1-c1ccccc1 160095493 CSAJIIZJVOXPMS-GOSISDBHSA-N 363.465 3.497 70 50 FGIA COC(=O)C[C@H](c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O)C(C)C 217713530 BZTJRSSTSTWQAX-KRWDZBQOSA-N 373.449 3.113 70 50 FGIA biogenic C[C@H](CNC(=O)Nc1ccc(OS(=O)(=O)F)cc1)c1ccccc1 1875382665 LIGPCXVJNTWKEP-GFCCVEGCSA-N 352.387 3.205 70 50 FGIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cn(CCOC)c2ccc(Cl)cc12 218129762 RXGDHTPWZWMERR-MLGOLLRUSA-N 352.862 3.078 70 50 FGIA O=S(=O)(F)N1CCC2(CC1)C[C@H]2c1nc(-c2cccc(Cl)c2)no1 1875368358 LILXXKZCLHXGOC-LBPRGKRZSA-N 371.821 3.174 70 50 FGIA Cc1ccccc1[C@@H](C(=O)N(C)Cc1cccc(CN(C)C)c1)N(C)C 218216628 WBLVYAQWFFNCOM-NRFANRHFSA-N 353.510 3.318 70 50 FGIA O=C(c1cc2sccc2[nH]1)N1CCCn2nc([C@H](O)C3CCC3)cc2C1 218094328 LVJGJDWUZPWNDD-GOSISDBHSA-N 370.478 3.306 70 50 FGIA Cc1ccccc1CSCC(=O)N1CCC[C@@]2(CCC(=O)N(C)C2)C1 218783295 YZHOZELFJMWPOM-FQEVSTJZSA-N 360.523 3.089 70 50 FGIA CC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2cc(-c3ccccn3)no2)c1C 217992646 LXRMBPSCKPSIIX-UHFFFAOYSA-N 352.394 3.156 70 50 FGIA CN(Cc1c[nH]nc1-c1ccccc1)C(=O)[C@H](O)c1cccc(Cl)c1 218568451 JTRROIRITLCZLP-GOSISDBHSA-N 355.825 3.422 70 50 FGIA COCCn1c([C@H](C)NC(=O)c2sc(C)nc2C)nc2ccccc21 218331517 QBQIRTAUQFGULS-LBPRGKRZSA-N 358.467 3.247 70 50 FGIA COC(=O)C[C@H](c1ccccc1OC)c1c(O)c2ccccc2oc1=O 217889383 FZJIMZSMFSMUKA-CQSZACIVSA-N 354.358 3.202 70 50 FGIA biogenic COCCCn1c(C)cc(C)c(C(=O)Nc2cccc3[nH]ccc23)c1=O 218308985 SRBOOLKKTCICEH-UHFFFAOYSA-N 353.422 3.235 70 50 FGIA C[C@H](NC(=O)c1cc(-c2ccsc2)n[nH]1)c1ccc(-n2cncn2)cc1 218628822 ZHAJWIQBWHSFMA-LBPRGKRZSA-N 364.434 3.210 70 50 FGIA COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)c(OC)c1OC 217896538 DRCRMHRJXKNFAD-ZDUSSCGKSA-N 372.373 3.062 70 50 FGIA biogenic O=C1C[C@H](c2cc3ccccc3[nH]c2=O)c2c(c3ccccc3oc2=O)O1 217777585 VWSTXIIRZAPSAI-CYBMUJFWSA-N 359.337 3.076 70 50 FGIA biogenic Cc1ccc2occ([C@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)c2c1 217922379 VDSIHKPUILSUND-NSHDSACASA-N 350.326 3.271 70 50 FGIA biogenic O=C1C[C@H](C(=O)N2CCCC[C@H]2c2cccnc2)CN1Cc1ccccc1 218030747 SHUIOYRYMUZZOL-PMACEKPBSA-N 363.461 3.184 70 50 FGIA biogenic O=C(NCc1ccc(C2CC2)cc1)Nc1ccc(OS(=O)(=O)F)cc1 1875382747 OTHGSSPZNQNEGY-UHFFFAOYSA-N 364.398 3.479 70 50 FGIA O=C(NCc1cnn(-c2cccc(F)c2)c1)c1ccc(SCCO)cc1 216988414 QBCODJMZQYSULK-UHFFFAOYSA-N 371.437 3.026 70 50 FGIA O=C(NCc1ccc(Br)s1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 161510348 JYOHGBUBLLGYAG-RTXFEEFZSA-N 371.300 3.267 70 50 FGIA CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)nc(=O)[nH]1 218489288 KVNJNXGRDFQXGN-MRXNPFEDSA-N 358.442 3.057 70 50 FGIA C[C@H](NC(=O)c1cnc2c(Cl)cccc2c1O)c1nnc2ccccn12 218209310 PTWFFQQSBVOSGF-JTQLQIEISA-N 367.796 3.128 70 50 FGIA Cc1[nH]c2c(CN3CCn4nc([C@H](O)C5CC5)cc4C3)cccc2c1C 218633081 QDXHFFRFNRBWTE-OAQYLSRUSA-N 350.466 3.440 70 50 FGIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1ccc(C)o1)CC(=O)O2 217995339 RCPKCHAOZAOVRB-NSHDSACASA-N 368.341 3.352 70 50 FGIA biogenic CC(C)(C)C1CCC(C(=O)Nc2cncc(OS(=O)(=O)F)c2)CC1 1875387438 IHYKUXXXIQSPCT-UHFFFAOYSA-N 358.435 3.466 70 50 FGIA CCc1oc(C(=O)N2CCC(c3ccncn3)CC2)cc1CN(CC)CC 218548703 DZWZYLWYCONORF-UHFFFAOYSA-N 370.497 3.494 70 50 FGIA CC(C)(C)OC(=O)N1CCC[C@@H](Cc2ccc(OS(=O)(=O)F)cc2)C1 1875374428 PUNKNYJPWFCZEM-AWEZNQCLSA-N 373.446 3.469 70 50 FGIA O=S(=O)(F)c1ccc(-c2nc(O)c3c4c(sc3n2)CCC4)cc1 888096442 VFTBRQCVISMJRT-UHFFFAOYSA-N 350.396 3.211 70 50 FGIA O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1cccc(S(=O)(=O)F)c1 1354032584 ZNHAYVAVJSOTNW-CQSZACIVSA-N 369.801 3.252 70 50 FGIA Cc1nc(CC(=O)Nc2nc(CN3CCCCC3)cs2)c(C)s1 160832602 MRIGBOHVYPWTNE-UHFFFAOYSA-N 350.513 3.384 70 50 FGIA Cc1cc2c(N[C@@H]3CCOC[C@H]3OCc3c(C)noc3C)ncnc2s1 218041450 LKKQLBMVGLNYIG-HZPDHXFCSA-N 374.466 3.391 70 50 FGIA O=C(c1cnc2c(F)cccc2c1O)N1CCN(Cc2ccccc2)CC1 218181560 FTPJUQGPPVJMOA-UHFFFAOYSA-N 365.408 3.038 70 50 FGIA Cn1c(CNC(=O)CCN2CCCCC2)nc2cc(C(F)(F)F)ccc21 218648938 OWDBNSYETOJZAC-UHFFFAOYSA-N 368.403 3.084 70 50 FGIA O=C1CCCCCN1CC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 218762814 ZMSGSTNEGSDPTG-QGZVFWFLSA-N 354.454 3.019 70 50 FGIA CC1(C)OB(O)c2cc(NC(=O)c3ccc(F)cc3C(F)(F)F)ccc21 198072921 PTYGDEXEGLDNAZ-UHFFFAOYSA-N 367.107 3.050 70 50 FGIA investigational C[C@@H]1CCc2c(C(=O)N3CCC[C@H]3CC(=O)c3cnn(C)c3)csc2C1 159930062 JTKONZYTILQCAO-HIFRSBDPSA-N 371.506 3.484 70 50 FGIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)n1 218265245 GDGXDOHKUDFREV-SFHVURJKSA-N 350.422 3.026 70 50 FGIA Cc1nnc(CN(C)C(=O)c2ccc(CSc3ccccn3)cc2)o1 218141630 HJNXKUSZCFOTMD-UHFFFAOYSA-N 354.435 3.338 70 50 FGIA C[C@H]1CN(Cc2cccc(CNC(=O)C3CCC(F)(F)CC3)c2)CCO1 159913057 PREDPTHNAWOLRC-HNNXBMFYSA-N 366.452 3.349 70 50 FGIA Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CC1=CSC2=NCCN12 218178600 NBLGMNPXNFSIDJ-OAHLLOKOSA-N 357.479 3.363 70 50 FGIA Cc1nc2cc(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)ccc2s1 218010221 CWKZTQFFYNJBGX-DEYYWGMASA-N 353.447 3.242 70 50 FGIA O=C(c1ccc(Cl)s1)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 217164550 LFPUWHAYKNDNPN-KRWDZBQOSA-N 373.865 3.336 70 50 FGIA COC(=O)[C@H](CC(C)C)NC(=O)c1cc(-c2cccc(Cl)c2)nn1C 218391432 DKGKBWITOVPXLC-HNNXBMFYSA-N 363.845 3.058 70 50 FGIA O=C(Cc1noc2ccccc12)NCCc1csc(-c2cccnc2)n1 218277425 IOOPRNNAMFODDH-UHFFFAOYSA-N 364.430 3.248 70 50 FGIA Cc1[nH]c2ccccc2c1CC(=O)NC[C@@H]1CC(=O)N(C)c2ccccc21 217714523 HVGFKKWDKCCVFM-HNNXBMFYSA-N 361.445 3.285 70 50 FGIA O=S(=O)(Cl)c1c(Br)cc(F)cc1Br 100557552 DAADGLRHZJNIPX-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA CC[C@@H](O)c1cc2n(n1)CCCN(Cc1nn(C)c3cccc(Cl)c13)C2 217006469 PWVPOHJIYQNABA-GOSISDBHSA-N 373.888 3.273 70 50 FGIA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 217547922 UEPQVCFXPJNKTM-QGGNESHTSA-N 359.514 3.135 70 50 FGIA Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@@H]3c1ccc2c(c1)OCCO2 217687961 KRIPKVCKDZFIBO-CQSZACIVSA-N 364.353 3.314 70 50 FGIA biogenic O=C(c1cnc2ccc(F)cc2c1O)N1CCO[C@H](c2ccccc2)C1 218388175 HWSDRRPINRJKBN-SFHVURJKSA-N 352.365 3.293 70 50 FGIA O=C(Nc1ccccn1)c1cc(=O)c(OCc2ccc(Cl)cc2)c[nH]1 218334319 URGHKQUETVLYMO-UHFFFAOYSA-N 355.781 3.255 70 50 FGIA Cc1ccccc1-c1noc(CCCC(=O)N[C@H](C)c2cn(C)nc2C)n1 218341330 KPNSLCVYYUWGNM-CQSZACIVSA-N 367.453 3.287 70 50 FGIA CN(C)c1cc(C(=O)Oc2ccc(N(C)C(N)=O)cc2)c2ccccc2n1 160252172 VIXFZNZPIUWGAE-UHFFFAOYSA-N 364.405 3.035 70 50 FGIA CN(C[C@H]1COCCO1)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 217739619 SDANXTJLHSQQNG-HNNXBMFYSA-N 363.498 3.475 70 50 FGIA CCCN(Cc1ccc(OS(=O)(=O)F)cc1)Cc1ccccc1O 1875387585 OTUOGHYGDPQFRV-UHFFFAOYSA-N 353.415 3.398 70 50 FGIA CN(C)c1nc(C[C@@H]2CC(=O)N(c3ccccc3)C2)cc(C(F)(F)F)n1 218276661 PGDNXCHNIZOXFY-GFCCVEGCSA-N 364.371 3.157 70 50 FGIA CSCC[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 218407198 SXWKGAOHNGZLDI-JTQLQIEISA-N 374.293 3.227 70 50 FGIA COC(=O)c1ccc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1 217747390 VJPLQNMLVVLVIE-CQSZACIVSA-N 350.326 3.021 70 50 FGIA biogenic Cc1c(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cnn1-c1ccccc1F 217630183 PJAZASHQRNORRS-QFBILLFUSA-N 370.472 3.314 70 50 FGIA biogenic CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cccc3c1ccn3C)C2 216809305 BAMOOLWVPGSOED-SJORKVTESA-N 365.477 3.208 70 50 FGIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCc2c(F)cccc2C1 1875382945 YQNYSZALZRWCJK-UHFFFAOYSA-N 368.361 3.009 70 50 FGIA CC(C)Cc1ccc(C(=O)N2CCC3(CC2)CN(C)CCCN3C)cc1 217118297 DWHQMMGGCHSFHR-UHFFFAOYSA-N 357.542 3.127 70 50 FGIA Cc1ccn(CCC(=O)N2CCC[C@H](c3nc(-c4ccccc4)no3)C2)n1 218562980 UQHWJZJWPSDILK-KRWDZBQOSA-N 365.437 3.038 70 50 FGIA O=C(CSc1ccc(Cl)cc1)NCCc1noc([C@@H]2CCCO2)n1 218640324 OOQZMCDJSLYWTA-ZDUSSCGKSA-N 367.858 3.026 70 50 FGIA Cc1ccc(S[C@H](C)C(=O)N2CCC(c3ccnc(N)n3)CC2)cc1 217493813 ZPHAUZIFXOEEPP-CQSZACIVSA-N 356.495 3.254 70 50 FGIA C[C@@H](C(=O)N1CCCC[C@H]1c1cccnc1)n1cnc2ccccc2c1=O 218006442 NDJVPSXMTRRYAB-KXBFYZLASA-N 362.433 3.106 70 50 FGIA biogenic CCCn1cc(NC(=O)N2CC[C@H](CN(CC)CC(F)(F)F)C2)cn1 161244448 XCUZIJTZUSGJBX-CYBMUJFWSA-N 361.412 3.031 70 50 FGIA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(C)nc3cc(F)ccc13)C2 216973483 HILRLSOFHWXFTE-ZBFHGGJFSA-N 369.440 3.155 70 50 FGIA C[C@@H](NCCc1ccc2c(c1)OCO2)c1ccc(N2CCCC2=O)cc1 161146048 UDKLCOLJBZBDFR-OAHLLOKOSA-N 352.434 3.435 70 50 FGIA O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cccc(S(=O)(=O)F)c1 1354032583 ZNHAYVAVJSOTNW-AWEZNQCLSA-N 369.801 3.252 70 50 FGIA Cc1ccc(CNC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)s1 218210584 CLFNRLGAUBGBBK-UHFFFAOYSA-N 363.504 3.198 70 50 FGIA O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2nc(C3CC3)no2)C1 161069470 YYDBVUNFHYWCLR-ZIAGYGMSSA-N 353.344 3.274 70 50 FGIA CC(C)c1cc(Br)ccc1OC(=O)[C@@H]1CCCN(C(N)=O)C1 160794535 XRXMYEUAHYTFLZ-LLVKDONJSA-N 369.259 3.269 70 50 FGIA C[C@@H](NC(=O)CCC(=O)N1CCCCCC1)c1cnn(-c2ccccc2)c1 217584887 ZENIRVQPEPGQLA-QGZVFWFLSA-N 368.481 3.232 70 50 FGIA O=C(NC1CCN(c2ccccc2)CC1)[C@@H]1CCCN1Cc1ccccc1 218341693 KQMNHUJJVMCJEU-QFIPXVFZSA-N 363.505 3.436 70 50 FGIA O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cccc2[nH]cnc12 159672942 BZLNKOSEKMDQRR-OAHLLOKOSA-N 368.824 3.142 70 50 FGIA CSCC[C@@H](O)c1nc(-c2ccco2)nn1Cc1ccc2c(c1)OCO2 216908089 PBZOYTYTLKGXNV-CYBMUJFWSA-N 373.434 3.102 70 50 FGIA CCn1cc(C2CCN(C(=O)NCCc3sc(C)nc3C)CC2)cn1 159441892 LGQLHZWTBRVZJM-UHFFFAOYSA-N 361.515 3.108 70 50 FGIA O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(N2CCCC2)cc1 217072331 HYAIYZSZAMWHCY-SFHVURJKSA-N 352.434 3.247 70 50 FGIA O=C(NCCc1nc2c(s1)CCCC2)[C@@H]1CCCN1Cc1ccccc1 218595469 PNWLQPZIIGXFKJ-SFHVURJKSA-N 369.534 3.345 70 50 FGIA C[C@@H](O)c1cc2n(n1)CCCN(C1CCN(c3cccc(Cl)c3)CC1)C2 217085844 OJGIXVKBGXOINH-OAHLLOKOSA-N 374.916 3.465 70 50 FGIA CC[C@@H](NC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1)c1nc2cc(C)ccc2[nH]1 217582590 KTXPHULWXIGSHB-GFCCVEGCSA-N 367.453 3.133 70 50 FGIA Cc1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cc1F 218349904 VHEMHHJHSAAMSD-UHYCVJNDSA-N 355.409 3.311 70 50 FGIA Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@H]3c1ccc2c(c1)OCCO2 217687880 KRIPKVCKDZFIBO-AWEZNQCLSA-N 364.353 3.314 70 50 FGIA biogenic Cc1ccc2c(c1)C[C@@H](C(=O)NCC1(c3cccc(F)c3)CCOCC1)N2 218314558 ZQVLBCNPSDTBLI-FQEVSTJZSA-N 368.452 3.335 70 50 FGIA Cc1cccc(N2CCC(NC(=O)CCn3nc(C)c(C)c3C)CC2)c1 218126651 BJTWQUBPLFGRLD-UHFFFAOYSA-N 354.498 3.292 70 50 FGIA O=C(c1nc2ccccc2c(=O)[nH]1)N1CCCC[C@H]1c1ccc(F)cc1 217119139 BDCVCWKUJKFJEL-KRWDZBQOSA-N 351.381 3.430 70 50 FGIA O=C(CC1(n2cccc2)CCOCC1)NCCn1ccc2ccccc21 218164303 KNSKHKVNLBMXDN-UHFFFAOYSA-N 351.450 3.155 70 50 FGIA O=S(=O)(Cl)c1ccc(Br)c(F)c1Br 263622877 BPOMLOFYGBWKCD-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA C[C@@H](NC(=O)c1cc(-c2ccsc2)n[nH]1)c1ccc(-n2cncn2)cc1 218628729 ZHAJWIQBWHSFMA-GFCCVEGCSA-N 364.434 3.210 70 50 FGIA COc1cccc(F)c1C(=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218335229 KIMPAHQNCLTVLA-WSNMIEGMSA-N 371.408 3.011 70 50 FGIA COc1ccc(C)cc1-n1ccc(C(=O)Nc2cc(C3CC3)nc(C)n2)n1 159941455 HWELUPFUWYWALO-UHFFFAOYSA-N 363.421 3.417 70 50 FGIA O=C(CCc1cccs1)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 217199999 VVOUZXFZOVKURZ-HXUWFJFHSA-N 367.474 3.001 70 50 FGIA CSCC[C@H](NC(=O)CCCn1cccn1)c1nc2ccccc2n1C 218371959 VPRLKIJTYVJOGV-INIZCTEOSA-N 371.510 3.161 70 50 FGIA O=C(NCc1ccccc1)c1cc2ccccc2cc1OS(=O)(=O)F 1875389957 WNEZCZRCJSNWMD-UHFFFAOYSA-N 359.378 3.363 70 50 FGIA CC1(C)C[C@H](NC(=O)c2ccccc2NS(C)(=O)=O)c2ccccc2O1 159823500 MYMTXBBTZABXAB-INIZCTEOSA-N 374.462 3.090 70 50 FGIA Cc1nc([C@H](C)NC(=O)C(C)(C)Oc2cc(C)c(Cl)c(C)c2)n[nH]1 217675373 DLFRAMPLFBHGEI-NSHDSACASA-N 350.850 3.418 70 50 FGIA CC1CCN(Cc2ccc(C(=O)N3CCC(c4ccncn4)CC3)o2)CC1 218443078 VMFRMJILVZOJMP-UHFFFAOYSA-N 368.481 3.321 70 50 FGIA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(S(=O)(=O)Cl)c1 263619741 QDDRCZCHSJWYTN-UHFFFAOYSA-N 354.771 3.083 70 50 FGIA CN(Cc1cccn1C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 160690778 MIQZKFLKXMLVKZ-UHFFFAOYSA-N 352.438 3.041 70 50 FGIA O=C(c1ccccc1N1CCOCC1)N1CCCC[C@@H]1c1nccs1 218640495 BHTQRQCHNOZDGX-QGZVFWFLSA-N 357.479 3.347 70 50 FGIA COc1cccc(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)c1OC 218731779 CDPIUWZOXBLGSM-QGZVFWFLSA-N 351.406 3.072 70 50 FGIA COc1cccc2c(O)c(C(=O)N3CCO[C@H](c4ccccc4)C3)cnc12 218142226 DXTSPJLZFVDYCX-SFHVURJKSA-N 364.401 3.163 70 50 FGIA COc1ccc(F)c(F)c1C(=O)NCCc1cnn(-c2ccccc2)c1 218207975 FWCAFWSBXZKKCI-UHFFFAOYSA-N 357.360 3.132 70 50 FGIA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1ccc(C)o1)CC(=O)O2 217995422 RCPKCHAOZAOVRB-LLVKDONJSA-N 368.341 3.352 70 50 FGIA biogenic CC(C)n1c(CCNC(=O)c2cc(-c3cccnc3)n[nH]2)nc2ccccc21 218408399 BWMWAQHABMBIRN-UHFFFAOYSA-N 374.448 3.375 70 50 FGIA Cc1ccn(CCC(=O)N[C@@H](CCn2ccnc2C)c2ccccc2)n1 218522450 JCEWLOCBKXOHDU-IBGZPJMESA-N 351.454 3.034 70 50 FGIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc3cc(Cl)ccc3[nH]1)C2 217361387 FLMBEQWIAJVKKB-LLVKDONJSA-N 358.829 3.117 70 50 FGIA O=C(C[C@H]1CCCC2(CCC2)O1)Nc1ccc(OS(=O)(=O)F)cc1 1875384636 HSFGPJBDNLWADI-CQSZACIVSA-N 357.403 3.100 70 50 FGIA O=S(=O)(Cl)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1 100004910 OTFAWEIFBPUXOH-UHFFFAOYSA-N 351.232 3.209 70 50 FGIA in-vitro COC(=O)c1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1 217747318 VJPLQNMLVVLVIE-AWEZNQCLSA-N 350.326 3.021 70 50 FGIA biogenic CN(Cc1cnc2ccccc2n1)C(=O)CN1CC[C@H](c2ccccc2)C1 218129697 GGFZGINUYDLYGL-SFHVURJKSA-N 360.461 3.078 70 50 FGIA COc1cc2c(cc1OC)CN(Cc1cnc(N3CCCCC3)nc1)CC2 218115301 MLTJOCFDLRIHGK-UHFFFAOYSA-N 368.481 3.042 70 50 FGIA COc1ccc(C2(C(=O)N3CCN(C)[C@H](c4ccccc4)C3)CC2)cc1 217136352 LYELRRQMLBTGDE-FQEVSTJZSA-N 350.462 3.242 70 50 FGIA O=C(c1cccc2[nH]cnc12)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 159604686 XCJFMTVJVKQNDZ-IBGZPJMESA-N 353.397 3.288 70 50 FGIA CC(C)c1cc(Br)ccc1OC(=O)[C@H]1CCCN(C(N)=O)C1 160794663 XRXMYEUAHYTFLZ-NSHDSACASA-N 369.259 3.269 70 50 FGIA Cc1scnc1CN1CCCn2nc([C@H](O)c3ccccc3)cc2C1 217192493 WIZPNZQNIIRZAE-LJQANCHMSA-N 354.479 3.136 70 50 FGIA Cc1noc(C)c1CNC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 218033180 MTPHUZHDVAZDNM-FQEVSTJZSA-N 358.438 3.322 70 50 FGIA O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2noc(C3CC3)n2)C1 161162477 CNDQCHMUJYSXMY-ZIAGYGMSSA-N 353.344 3.274 70 50 FGIA C[C@H](NCCc1ccc2c(c1)OCO2)c1ccc(N2CCCC2=O)cc1 161145922 UDKLCOLJBZBDFR-HNNXBMFYSA-N 352.434 3.435 70 50 FGIA CCc1nc(Cc2csc(C(C)=O)c2)n(Cc2ccc3c(c2)OCO3)n1 217092118 AFQROYMVLCNZQF-UHFFFAOYSA-N 369.446 3.472 70 50 FGIA Cc1ccccc1CSCC(=O)N1CCC[C@]2(CCC(=O)N(C)C2)C1 218783367 YZHOZELFJMWPOM-HXUWFJFHSA-N 360.523 3.089 70 50 FGIA CN1C(=O)C[C@@H](CNC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21 217830014 MPUSEPXBCLTQDI-KRWDZBQOSA-N 363.461 3.167 70 50 FGIA Oc1c([C@@H](c2cccc(OC(F)F)c2)N2CCCC2)sc2ncnn12 218491116 ZJCREQBRAFMDKA-GFCCVEGCSA-N 366.393 3.283 70 50 FGIA O=C(CCCc1nc(-c2ccco2)no1)NC[C@@H]1CCCN2CCCC[C@H]12 217661848 TYCDDACALHHEKE-JKSUJKDBSA-N 372.469 3.033 70 50 FGIA biogenic O=C(CCN1Cc2ccccc2C1)NCc1c[nH]nc1-c1ccc(F)cc1 218250633 UBAIIEJDRVYGED-UHFFFAOYSA-N 364.424 3.238 70 50 FGIA C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(CN3CCCCC3)cs1)C2 217480690 PCYFXKHLKSYVRG-MRXNPFEDSA-N 374.554 3.390 70 50 FGIA Cc1cc2c(c(=O)o1)[C@H](c1ccccc1OCc1ccccn1)CC(=O)O2 217947651 KZVNKKOADAXZBD-INIZCTEOSA-N 363.369 3.363 70 50 FGIA biogenic O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)c1cn(-c2ccccc2)nc1-c1ccccc1 218251700 MWHYWKNFIIGXGS-RLLQIKCJSA-N 359.429 3.447 70 50 FGIA O=C(NCC1(c2ccccc2Cl)CC1)c1ccc(S(=O)(=O)F)cc1 865209227 LJPOIKQWZAWHRZ-UHFFFAOYSA-N 367.829 3.460 70 50 FGIA CN(C)c1ccc(CCC(=O)N2CCC(CCn3cccn3)CC2)cc1 218750269 ZPNFHWPSNCBIHV-UHFFFAOYSA-N 354.498 3.211 70 50 FGIA CN1CCN(C(=O)CCC(=O)NC2CCCCCC2)C[C@H]1c1ccccc1 217077040 NQIJKKYLMZFZMV-FQEVSTJZSA-N 371.525 3.121 70 50 FGIA O=C(NCc1nnc2ccccn12)c1cc(-n2cccc2)ccc1Cl 218450863 OHYBJDXLGGGSQR-UHFFFAOYSA-N 351.797 3.103 70 50 FGIA Cc1cc2c(c(=O)o1)[C@H](c1coc3ccc(Cl)cc3c1=O)CC(=O)O2 218028742 NCGSSRUHZXKIKQ-JTQLQIEISA-N 358.733 3.149 70 50 FGIA biogenic O[C@H](c1cc2n(n1)CCCN(CCCOc1ccc(F)cc1)C2)C1CC1 218513802 ZDCJSUDSIMIWOP-FQEVSTJZSA-N 359.445 3.140 70 50 FGIA COc1ccc2cc(CN(CCCO)Cc3ccc(F)cc3)c(=O)[nH]c2c1 218752258 KSELTQMCUISLGH-UHFFFAOYSA-N 370.424 3.060 70 50 FGIA CCn1cc(NC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)ccc1=O 161217804 MKIWXONDNATVRI-QAPCUYQASA-N 355.438 3.158 70 50 FGIA Cc1ccc2[nH]c([C@H](NC(=O)c3cc4c([nH]c3=O)CCC4)C(C)C)nc2c1 217040418 YIDWEPKWKWZGJY-GOSISDBHSA-N 364.449 3.175 70 50 FGIA CC(C)n1nnc(-c2ccc(C(=O)NCCn3ccc4ccccc43)cc2)n1 218441123 UUWBMMDXCYSQKX-UHFFFAOYSA-N 374.448 3.306 70 50 FGIA COc1ccccc1[C@@H]1CC(=O)Oc2cc(O)c3c(C)cc(=O)oc3c21 218000091 DNGPJOIPDOGPLB-LBPRGKRZSA-N 352.342 3.257 70 50 FGIA biogenic O=C(CC1=CCCC1)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 218557038 NJFVAIXOWDRKGL-HXUWFJFHSA-N 351.450 3.002 70 50 FGIA O=C(CCCc1nnc2ccc(Cl)nn12)Nc1ccc2cc[nH]c2c1 218267610 NUDOBKYLEOZATN-UHFFFAOYSA-N 354.801 3.220 70 50 FGIA Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1n[nH]c(C(F)(F)F)n1 218517256 KTRQPTISKGHPOY-UHFFFAOYSA-N 370.722 3.130 70 50 FGIA O=C(N[C@H]1CCCc2sccc21)c1ccc(=O)n(-c2ccccc2)n1 159903701 BBPHHHISKAHHHK-HNNXBMFYSA-N 351.431 3.101 70 50 FGIA COc1ccc([C@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)c(OC)c1 218063076 FMJUWWBOQRSPRZ-CYBMUJFWSA-N 374.389 3.171 70 50 FGIA biogenic Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccco1)CC(=O)O2 217941453 BZNXMAAWPDMRJI-MRXNPFEDSA-N 365.385 3.139 70 50 FGIA biogenic CC(C)C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2n1C 218391138 RYSFTASAVXVARV-INIZCTEOSA-N 351.454 3.302 70 50 FGIA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc3c(s1)CCCC3)C2 217180786 LBDLARWABICMCO-MRXNPFEDSA-N 359.495 3.313 70 50 FGIA CN(Cc1ccccc1-c1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1 160960089 XGWBZORHVAZEDZ-GOSISDBHSA-N 361.449 3.102 70 50 FGIA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCc2ccco2)n1 218264273 OSOAFOUHKXXXBD-IBGZPJMESA-N 364.449 3.069 70 50 FGIA O=c1cc(CN2CCCCCC2)oc(CN2CCc3ccccc3C2)c1O 218226115 MQUGGTZRXPWASR-UHFFFAOYSA-N 368.477 3.280 70 50 FGIA COc1cccc2c(O)c(C(=O)N3CCO[C@@H](c4ccccc4)C3)cnc12 218142295 DXTSPJLZFVDYCX-GOSISDBHSA-N 364.401 3.163 70 50 FGIA Cc1cc2cccc(C(=O)N[C@@H]3CCOC[C@H]3Oc3ccccn3)c2o1 218293745 ZJJNUJWNKBRFMU-IAGOWNOFSA-N 352.390 3.103 70 50 FGIA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc3c(s1)CCCC3)C2 217180791 LBDLARWABICMCO-INIZCTEOSA-N 359.495 3.313 70 50 FGIA CN1C(=O)C[C@@H](CNC(=O)c2cc(-c3ccsc3)n[nH]2)c2ccccc21 217705562 SKIVJBHXWBDBQR-ZDUSSCGKSA-N 366.446 3.018 70 50 FGIA COc1ccc(OC)c2[nH]c(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cc12 217789628 UUQAOEILKFPJBT-WMLDXEAASA-N 371.481 3.179 70 50 FGIA biogenic O=C(CC1(n2cccc2)CCOCC1)NCCCc1nc2ccccc2[nH]1 218243963 VRUDMNOROOFUFH-UHFFFAOYSA-N 366.465 3.009 70 50 FGIA Cc1ccccc1[C@H](CNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N(C)C 217410886 GNOYKUNBQHDELS-MERSPSMRSA-N 370.537 3.435 70 50 FGIA O=C(CC1(n2cccc2)CCOCC1)Nc1ccc2c(c1)OCCCO2 218172727 ARZYPAMATOJJPB-UHFFFAOYSA-N 356.422 3.184 70 50 FGIA Cc1cc(-c2cc(C(=O)N3CC[C@@H](N)C3)c3cnn(C(C)C)c3n2)c(C)o1 160199590 HCITXPHFQPNOIC-CQSZACIVSA-N 367.453 3.062 70 50 FGIA O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(SCCO)cc1 217658271 CRGQJEVOQKTWSW-UHFFFAOYSA-N 361.854 3.231 70 50 FGIA O=C(N[C@H](CS(=O)(=O)Cl)c1ccccc1)OCc1ccccc1 725271034 VJKSGCXULJGOIQ-OAHLLOKOSA-N 353.827 3.223 70 50 FGIA CCO[C@@H]1COCC[C@H]1NC(=O)Cc1ccc2c(c1)c1ccccc1n2C 218279370 RDWFHRVVXFLFBX-WIYYLYMNSA-N 366.461 3.184 70 50 FGIA Cc1ccc(Cc2ccccc2C(=O)N(C)C[C@@H]2COCCO2)cc1F 217126068 ROGQJPOPTJHVGY-GOSISDBHSA-N 357.425 3.212 70 50 FGIA Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1n[nH]c(CC(C)C)n1 218284382 LMQFCQPFFKGXFR-UHFFFAOYSA-N 352.442 3.117 70 50 FGIA CN=[S@](C)(=O)c1cccc(NCc2cc(S(=O)(=O)F)ccc2C)c1 1875381123 KYLWAQJNABQDDW-HSZRJFAPSA-N 370.471 3.352 70 50 FGIA COc1cc(OC)cc([C@@H](c2sc3ncnn3c2O)N2CCCCC2)c1 218604623 FBELFFMIXVVPER-HNNXBMFYSA-N 374.466 3.089 70 50 FGIA Cc1sc2nc(CCNC(=O)c3ccn(C(C)(C)C)c3)[nH]c(=O)c2c1C 218601214 QBBRZCKPQSAARJ-UHFFFAOYSA-N 372.494 3.130 70 50 FGIA Cc1ccc(C)c(-n2ncc(NC(=O)N3CCC([C@H](C)O)CC3)c2C)c1 160850101 KQUDBVQLNZOXMM-INIZCTEOSA-N 356.470 3.422 70 50 FGIA COc1cc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc(OC)c1OC 217656277 ADDCVBWHKTYQIE-ZDUSSCGKSA-N 372.373 3.062 70 50 FGIA biogenic CC1=NN(c2nc(C)cc(C)n2)C(=O)[C@@H]1C(=O)Nc1ccccc1C(C)C 160109242 LWWSXDYKUBQVKJ-KRWDZBQOSA-N 365.437 3.194 70 50 FGIA COc1ccc2c(c1)cc(C(=O)NC[C@@H]1CCCN3CCCC[C@H]13)n2C 217692917 KKSRFCOQBCWLBE-HNAYVOBHSA-N 355.482 3.181 70 50 FGIA biogenic CC(C)(C)c1cc(C(=O)NCC2(c3ccccc3F)CCCC2)[nH]c(=O)n1 218571708 XABKQELSCFGXQG-UHFFFAOYSA-N 371.456 3.448 70 50 FGIA CCN(Cc1cccnc1)C(=O)c1ccc2sc3c(c2c1)CCNC3=O 218128011 CRYHRRULDKVXGA-UHFFFAOYSA-N 365.458 3.245 70 50 FGIA CC[C@@H](NC(=O)CCCN1Cc2ccccc2C1)c1cn2cccnc2n1 217047159 NPTPMHPIDHYLGQ-GOSISDBHSA-N 363.465 3.093 70 50 FGIA O=S(=O)(Cl)c1cc(Br)cc(Br)c1F 263623210 FQSLFMCORLTFBW-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA CC(=O)N1CCC(CCC(=O)Nc2ccccc2-n2ccc(C)n2)CC1 161153719 MKOWCYWARFSQJF-UHFFFAOYSA-N 354.454 3.158 70 50 FGIA C[C@H](O)c1cc2n(n1)CCCN(C1CCN(c3cccc(Cl)c3)CC1)C2 217085863 OJGIXVKBGXOINH-HNNXBMFYSA-N 374.916 3.465 70 50 FGIA O=C(c1ccccc1)[C@H]1CCCN(C(=O)COCC(F)(F)C(F)F)C1 218217541 YQYBFPLJQALMTD-ZDUSSCGKSA-N 361.335 3.025 70 50 FGIA CCN(Cc1noc(C2CCC2)n1)C(=O)Cc1cn(C)c2ccccc12 218062773 UOAHIAGXIYJONR-UHFFFAOYSA-N 352.438 3.420 70 50 FGIA Cc1ccc2c(c1)C[C@H](C(=O)NCC1(c3cccc(F)c3)CCOCC1)N2 218314631 ZQVLBCNPSDTBLI-HXUWFJFHSA-N 368.452 3.335 70 50 FGIA C[C@H](C(=O)N1CCCC[C@H]1c1cccnc1)n1cnc2ccccc2c1=O 218006348 NDJVPSXMTRRYAB-BEFAXECRSA-N 362.433 3.106 70 50 FGIA biogenic C[C@@H](CNC(=O)Nc1ccc(OS(=O)(=O)F)cc1)c1ccccc1 1875382666 LIGPCXVJNTWKEP-LBPRGKRZSA-N 352.387 3.205 70 50 FGIA CC(C)n1cc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1 218166154 BALBRRSCUUBKOW-UPQHMETBSA-N 364.449 3.254 70 50 FGIA COC[C@H]1[C@@H](NC(=O)c2ccccc2-c2ccc(F)cc2)[C@@H]2CCO[C@@H]21 218232116 KJSHFNPKRDTWCA-MUGJNUQGSA-N 355.409 3.272 70 50 FGIA COCCn1c([C@H](C)NC(=O)c2nc(C)sc2C)nc2ccccc21 218329095 VMDLNZTUJFINOU-NSHDSACASA-N 358.467 3.247 70 50 FGIA Cc1ccc(N(C(=O)c2cncc(OS(=O)(=O)F)c2)C(C)C)cc1 1875384400 GMQJZMOMOMEOBA-UHFFFAOYSA-N 352.387 3.038 70 50 FGIA C[C@H](O)c1cc2n(n1)CCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 218380580 OSRRSNZMZBJFTI-ZDUSSCGKSA-N 359.857 3.054 70 50 FGIA COCCN1C[C@@H]2CC[C@H]1CN(CCOc1ccc(C)cc1Cl)C2 216794802 AUKLOLSILFCBCR-SJORKVTESA-N 352.906 3.070 70 50 FGIA CSc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(O)cc3)C2)c1 218309544 OUPSNYWPZWZFKD-OAHLLOKOSA-N 370.474 3.144 70 50 FGIA CN1CCN(c2ccc(C(=O)N3CC[C@H]3c3ccc(F)cc3)cc2)CC1 217995635 GYIOFAGCUAEDSH-FQEVSTJZSA-N 353.441 3.165 70 50 FGIA Cn1c(=O)c([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc2ccccc21 217947860 DLZKFUCDHCYVQK-CQSZACIVSA-N 373.364 3.086 70 50 FGIA biogenic Cn1ccnc1[C@H]1CCCN(Cc2ccc(OCCn3ccnc3)cc2)C1 217868366 MUNFYQFHTJJOFC-IBGZPJMESA-N 365.481 3.075 70 50 FGIA COc1ccc2[nH]c(C(=O)N3CCC(c4ccnc(C)n4)CC3)cc2c1 217775114 RKVUOKAHYKMXQU-UHFFFAOYSA-N 350.422 3.295 70 50 FGIA O=C1CC[C@@H]2CN(Cc3cccnc3)CC[C@@H]2N1CCc1cccs1 216965646 OMRFUYABBLTWRD-MJGOQNOKSA-N 355.507 3.199 70 50 FGIA CN1CCN(Cc2ccc(Sc3nncn3C)o2)C[C@@H]1c1ccccc1 217898876 PHDDERJSLDRNDQ-QGZVFWFLSA-N 369.494 3.048 70 50 FGIA O=C(N1CCOc2ccc(CO)cc2C1)C1(c2ccccc2)CCCC1 218108242 UMPKSRLFVFTHAO-UHFFFAOYSA-N 351.446 3.412 70 50 FGIA O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCCO 77952671 PIIILBMTQAKHJF-UHFFFAOYSA-N 362.409 3.124 70 50 FGIA Cc1noc(C)c1CNC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 218033106 MTPHUZHDVAZDNM-HXUWFJFHSA-N 358.438 3.322 70 50 FGIA O=C(NCCc1noc(C2CCC2)n1)[C@H]1CCCCN1Cc1ccccc1 217203559 CBHDZOGCRIPKPU-GOSISDBHSA-N 368.481 3.051 70 50 FGIA c1ccc(OCCn2ccnc2)c(CN2CC[C@H](N3CCCCC3)C2)c1 216940697 HXPZBYPHUCGNMC-FQEVSTJZSA-N 354.498 3.022 70 50 FGIA CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 159436833 MURALKAMXWIBFM-WDSOQIARSA-N 365.481 3.058 70 50 FGIA O=C(CCc1ccc(-n2cnnc2)cc1)N1CCCC[C@H]1c1cccnc1 217945158 QPBNEBWYGZCHFS-FQEVSTJZSA-N 361.449 3.349 70 50 FGIA biogenic C[C@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)[C@H](O)Cc1ccccc1 160543524 DTWZMWCGAQZSKK-SUMWQHHRSA-N 368.437 3.007 70 50 FGIA CN1C(=O)C[C@H](CNC(=O)c2cc(-c3ccsc3)n[nH]2)c2ccccc21 217705628 SKIVJBHXWBDBQR-CYBMUJFWSA-N 366.446 3.018 70 50 FGIA COc1ccc2ncc(C(=O)N3CCO[C@@H](c4ccccc4)C3)c(O)c2c1 218425750 UOSGCNCQUVYNRT-LJQANCHMSA-N 364.401 3.163 70 50 FGIA Cc1cc2occ(CC(=O)N3CCCn4nc(CO)cc4C3)c2cc1Cl 216956326 SNZRSWZZINYNFL-UHFFFAOYSA-N 373.840 3.058 70 50 FGIA O=C(c1ccc(Cl)s1)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 217164558 LFPUWHAYKNDNPN-QGZVFWFLSA-N 373.865 3.336 70 50 FGIA Cc1cccc([C@H]2CCCN2C[C@H](O)COc2cccc3[nH]ccc23)n1 160369387 GPHIILFAUKIGRG-OXJNMPFZSA-N 351.450 3.448 70 50 FGIA COC(=O)C[C@@H](c1ccc2ncccc2c1)c1cc2c(cc1O)OCO2 217990724 FOBTTZMYKNNZOP-AWEZNQCLSA-N 351.358 3.364 70 50 FGIA biogenic COc1ccc2ncc(C(=O)N3CCO[C@H](c4ccccc4)C3)c(O)c2c1 218425662 UOSGCNCQUVYNRT-IBGZPJMESA-N 364.401 3.163 70 50 FGIA Cc1ccc(C(F)(F)F)cc1C(=O)NC1CCN(C[C@H]2CCCO2)CC1 218508610 OEBOUTFBIQPWPS-MRXNPFEDSA-N 370.415 3.387 70 50 FGIA CN(Cc1cnccn1)C(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 217014175 OBRCLONCUPCEFY-UHFFFAOYSA-N 370.412 3.238 70 50 FGIA COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CCc2ccccc2O1)CC3 217889066 RCKFJYKLJNQCKN-OAQYLSRUSA-N 362.429 3.455 70 50 FGIA O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1csc2c1CCCC2 218340294 GWJNBEZUOQNJLQ-QZTJIDSGSA-N 372.490 3.126 70 50 FGIA COc1ccc(OC)c(NC(=O)c2c3c(nc4c2c(C)nn4C)CCC3)c1 218447912 LYOOHWLHVCIFPA-UHFFFAOYSA-N 366.421 3.035 70 50 FGIA CC(=O)c1ccc(OCC(=O)NC[C@@H]2CCN(C3CCCCC3)C2)cc1 218073379 XDVQVAUMSAIHFG-KRWDZBQOSA-N 358.482 3.039 70 50 FGIA O=C(c1ccccc1-c1ccccc1F)N1C[C@H](O)[C@@H](N2CCCCC2)C1 218772594 KHNKTJMVQHFVHG-SFTDATJTSA-N 368.452 3.164 70 50 FGIA O=S(=O)(Cl)c1c(Br)ccc(Br)c1F 263622972 CMHRVNRQWCHAOQ-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA COCc1c(-c2nc(C3CC3)nn2Cc2ccc3c(c2)OCO3)noc1C 217828831 UXEKZMPGZPZJBQ-UHFFFAOYSA-N 368.393 3.042 70 50 FGIA O=C(NCc1ccc(Br)s1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 161510167 JYOHGBUBLLGYAG-UHTWSYAYSA-N 371.300 3.267 70 50 FGIA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@H](Cn2ccnc2)C1 218299424 YNKLMOCRILHXRI-KRWDZBQOSA-N 367.493 3.468 70 50 FGIA CC(C)c1cc(C(=O)N2CCC(Oc3ccccc3F)CC2)nc(N)n1 217212278 AAPLNVLMHRKXGF-UHFFFAOYSA-N 358.417 3.005 70 50 FGIA CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)c1nc2ccccc2[nH]1 218514163 PBQITVJUKPEHII-GUYCJALGSA-N 356.470 3.023 70 50 FGIA CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 160840671 WWXCPQDKKLRCJY-IRXDYDNUSA-N 364.530 3.269 70 50 FGIA COc1cccc2c1OCCCN(C(=O)CCc1cc(Cl)no1)C2 217172003 KYCDYHGKFQBONJ-UHFFFAOYSA-N 350.802 3.081 70 50 FGIA Cc1scnc1CN1CCCn2nc([C@@H](O)c3ccccc3)cc2C1 217192486 WIZPNZQNIIRZAE-IBGZPJMESA-N 354.479 3.136 70 50 FGIA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)COCC(F)(F)C(F)F)C1 218217469 YQYBFPLJQALMTD-CYBMUJFWSA-N 361.335 3.025 70 50 FGIA CCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)Nc1ccncc1 95698117 VZVBXUHNESMKNC-UHFFFAOYSA-N 355.803 3.052 70 50 FGIA O=S(=O)(Cl)c1c(F)ccc(Br)c1Br 263624486 QYYFIKNHQFPSBD-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA O=C(CCn1cnc2ccccc21)N1CCC2(CC1)CNc1ccccc12 217944811 MFYZJJNZOWKGTO-UHFFFAOYSA-N 360.461 3.412 70 50 FGIA O=C(c1cccc(-c2ncn[nH]2)c1)N1CC[C@@H](Oc2ccccc2Cl)C1 160067298 FJZPGHCULTVDOC-OAHLLOKOSA-N 368.824 3.419 70 50 FGIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)OCc1ccc(Cl)cn1 1875382353 YTHVNJYGKULCDB-UHFFFAOYSA-N 360.750 3.077 70 50 FGIA O=C(CC1(n2cccc2)CCOCC1)NCCc1c[nH]c2ccc(F)cc12 218192549 NTTNFRFRYLQDFG-UHFFFAOYSA-N 369.440 3.363 70 50 FGIA CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc([S@@](C)=O)cc2)n1 161229931 SQRWBHLUBCBLDB-VWLOTQADSA-N 354.435 3.024 70 50 FGIA CC(=O)c1ccc(OCC(=O)NC[C@H]2CCN(C3CCCCC3)C2)cc1 218073470 XDVQVAUMSAIHFG-QGZVFWFLSA-N 358.482 3.039 70 50 FGIA CC(C)c1nc2ccccc2n1CCNC(=O)c1cc(-c2ccccn2)n[nH]1 218122359 XIAIFZIMXUNXIX-UHFFFAOYSA-N 374.448 3.375 70 50 FGIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(-c2cccc(OC)c2)c1 218253220 AQWHNMAIYFMRTC-BQJUDKOJSA-N 367.445 3.142 70 50 FGIA C[C@@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)N1CCc2ccccc21 160576313 TZDLHGHYVIQUAP-LBPRGKRZSA-N 367.375 3.018 70 50 FGIA O=C(CCCc1ccc(F)cc1)Nc1ccc(OS(=O)(=O)F)cc1 1875388237 SBMQMCWRLTUDDP-UHFFFAOYSA-N 355.362 3.380 70 50 FGIA COc1cccc(C)c1C(=O)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 218210062 RLKRIBVWYOMWKQ-SJLPKXTDSA-N 359.397 3.109 70 50 FGIA Cc1ccc(C(F)(F)F)cc1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 218508527 OEBOUTFBIQPWPS-INIZCTEOSA-N 370.415 3.387 70 50 FGIA CCn1cc(NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)ccc1=O 161217924 MKIWXONDNATVRI-CRAIPNDOSA-N 355.438 3.158 70 50 FGIA O=S(=O)(Cl)c1cc(Br)c(F)cc1Br 100541564 BCJZBSIZUOYZMS-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA CN(C)[C@@H](C(=O)N1CCC2(CC1)CNc1ccccc12)c1ccc(F)cc1 217394233 BEVGFCOCZBPNSZ-HXUWFJFHSA-N 367.468 3.414 70 50 FGIA CCOCCOc1ccccc1C(=O)N1CCN(C)[C@@H](c2ccccc2)C1 217522961 TUXLEPHPUSHMQG-HXUWFJFHSA-N 368.477 3.231 70 50 FGIA O=C(NCCC(=O)N1CCC[C@H](c2ccccc2)C1)c1ccccc1F 217164533 GZISHVNLGQPWPA-KRWDZBQOSA-N 354.425 3.352 70 50 FGIA C[SiH](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C 195810547 OMABSGMMFGVCDF-UHFFFAOYSA-N 356.792 3.125 70 50 FGIA CCc1n[nH]c(-c2ccccc2NC(=O)Cc2c(C)nn(C(F)F)c2C)n1 161273510 SBEOFDMJXXINLS-UHFFFAOYSA-N 374.395 3.424 70 50 FGIA O=C(Cc1csc(-c2ccccn2)n1)NC[C@@H]1CCCN2CCCC[C@H]12 217857796 VUYSMTJRGJYQJC-MAUKXSAKSA-N 370.522 3.128 70 50 FGIA biogenic CCc1nc(-c2cc(-c3ccccn3)n[nH]2)n(Cc2ccc3c(c2)OCO3)n1 217629903 UIQYIDOGMFHACC-UHFFFAOYSA-N 374.404 3.070 70 50 FGIA CC(C)Oc1ccc(-c2cc(C(=O)N[C@H](CO)c3ccccc3)[nH]n2)cc1 218195740 QTTAPGOBFBBEBD-HXUWFJFHSA-N 365.433 3.327 70 50 FGIA O=C(c1cccc2[nH]cnc12)N1CCC([C@H](O)c2ccc(F)cc2)CC1 159604558 XCJFMTVJVKQNDZ-LJQANCHMSA-N 353.397 3.288 70 50 FGIA Cc1ccc(S(=O)(=O)F)cc1CNc1ccccc1C[S@@](C)=O 1875381263 OWDGCRQIGUVRJS-JOCHJYFZSA-N 355.456 3.144 70 50 FGIA O=C(CC1=CCCC1)N1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1 218556968 NJFVAIXOWDRKGL-FQEVSTJZSA-N 351.450 3.002 70 50 FGIA Cc1csc(SCC(=O)NCc2c[nH]nc2-c2ccc(F)cc2)n1 218497354 CDMQWDDSSHTAOM-UHFFFAOYSA-N 362.455 3.389 70 50 FGIA Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(OS(=O)(=O)F)cc1)C2 1875385662 YGWXOHMNBRUIAF-HNNXBMFYSA-N 367.423 3.244 70 50 FGIA CCOc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3CC2CCC2)cc1CO 216755841 LQCFWULADBRKEP-CTNGQTDRSA-N 358.526 3.274 70 50 FGIA O=C(Nc1ccccc1)C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 217034529 QRLHBVDXPJKERQ-OAHLLOKOSA-N 356.397 3.082 70 50 FGIA Cc1nccc(C2CCN(C(=O)[C@@H](c3ccccc3C)N(C)C)CC2)n1 217908151 PXNJAOJCMDKLFB-HXUWFJFHSA-N 352.482 3.102 70 50 FGIA CN1CCC(C(=O)N2CC(Oc3ccccc3F)C2)(c2ccccc2)CC1 217116991 CPSBVZHSIJETJB-UHFFFAOYSA-N 368.452 3.079 70 50 FGIA C[C@H](c1nccs1)N(C)C(=O)C1CCN(C(=O)Cc2ccccc2)CC1 216948884 GFVNLJKUGAPVIJ-OAHLLOKOSA-N 371.506 3.144 70 50 FGIA Cc1cc(C(F)(F)F)nc(CCNC(=O)Cn2ccc3ccccc32)n1 218587964 QEZMCOACYHDUAT-UHFFFAOYSA-N 362.355 3.117 70 50 FGIA CCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)Cl 100173716 HTEWIFIYUSISGY-UHFFFAOYSA-N 364.810 3.137 70 50 FGIA O=S(=O)(Cl)c1ccc(Cc2ccc(S(=O)(=O)Cl)cc2)cc1 100551082 YKMMQCFZCFAHOU-UHFFFAOYSA-N 365.259 3.132 70 50 FGIA in-vitro COc1ccc(CC(=O)NC[C@@H]2CCN(c3ccccc3C)C2)cc1OC 218032504 SWDJLSFSZYZCEB-SFHVURJKSA-N 368.477 3.197 70 50 FGIA Cc1cc(C(=O)N2CCn3nc([C@@H](C)O)cc3C2)c2cccc(Cl)c2n1 217359709 OSUWRRODFSVDAW-GFCCVEGCSA-N 370.840 3.102 70 50 FGIA Cc1ccc2[nH]c(C(=O)N3CCCn4nc([C@@H](C)O)cc4C3)c(C)c2c1 217071853 LVYSMSPFWJLSJA-CQSZACIVSA-N 352.438 3.081 70 50 FGIA COc1ccccc1[C@H](NC(=O)N1CC[C@]2(CCOC2)C1)c1ccco1 160532418 VTGNZJRUXWJZKR-ICSRJNTNSA-N 356.422 3.200 70 50 FGIA O=S(=O)(Cl)c1cc(F)cc(Br)c1Br 263623672 JOXDOWHHTAMKIB-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA COc1ccccc1[C@@H](NC(=O)N1CC[C@@]2(CCOC2)C1)c1ccco1 160532791 VTGNZJRUXWJZKR-UYAOXDASSA-N 356.422 3.200 70 50 FGIA CO[C@@H]1COCC[C@H]1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 218445119 XEVGCSYPVLKGGA-TZIWHRDSSA-N 362.429 3.436 70 50 FGIA O=C(NCC1(c2ccccc2Cl)CC1)c1cccc(S(=O)(=O)F)c1 1336962353 YUUHGGMAFSSDTP-UHFFFAOYSA-N 367.829 3.460 70 50 FGIA Cc1nc2sc([C@@H](c3cc(F)c(F)c(F)c3)N3CCCC3)c(O)n2n1 218437502 YXBYIOLYHPXVMT-CYBMUJFWSA-N 368.384 3.407 70 50 FGIA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccn(C(F)F)n1 218289123 JBASBTLYXTXWDJ-UHFFFAOYSA-N 361.352 3.299 70 50 FGIA Cc1ccccc1[C@@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)CCO1 1875387801 YCEHTGQDHLRHNY-SFHVURJKSA-N 365.426 3.162 70 50 FGIA O=C1CCCCCN1CC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 218762852 ZMSGSTNEGSDPTG-KRWDZBQOSA-N 354.454 3.019 70 50 FGIA O=C1C[C@H](c2coc3ccccc3c2=O)c2c(c3ccccc3oc2=O)O1 217784713 NSIWFIPFXVEVKW-CYBMUJFWSA-N 360.321 3.340 70 50 FGIA biogenic CCc1ccsc1C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 160902843 OJWXPOCNQNDXAW-UHFFFAOYSA-N 367.496 3.035 70 50 FGIA C[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1C(F)(F)F 160925836 HZHBWLPAFVZGMR-LBPRGKRZSA-N 365.417 3.410 70 50 FGIA COc1ccc(-c2cc(CNC(=O)c3cccnc3SC)on2)cc1 218242799 ISNITUSPMGSUHQ-UHFFFAOYSA-N 355.419 3.397 70 50 FGIA Cc1ccccc1[C@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)CCO1 1875387800 YCEHTGQDHLRHNY-GOSISDBHSA-N 365.426 3.162 70 50 FGIA CN(Cc1csc(-c2ccccc2)n1)c1cc(C2CC(N)C2)nc(N)n1 218541849 SSRVJRMTAHTWTM-UHFFFAOYSA-N 366.494 3.023 70 50 FGIA CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@H]2C(C)(C)OC(=O)[C@]21C(=O)OC 217572798 NHDYZEYYDOLROC-JEBQAFNWSA-N 350.798 3.044 70 50 FGIA CO[C@@H]1CCOC[C@H]1NC(=O)CCSc1cc(C)c2cc(C)ccc2n1 218695785 OBGGZVYYXUHFSZ-QZTJIDSGSA-N 374.506 3.254 70 50 FGIA CCn1nc(-c2ccc(C)c(S(=O)(=O)Cl)c2)c2c(c1=O)CCCC2 1848442380 RUGNCONJNNBTME-UHFFFAOYSA-N 366.870 3.045 70 50 FGIA CC(=O)c1ccc2c(c1O)[C@H](c1coc3ccccc3c1=O)CC(=O)O2 217710354 WQRHRPALSNEOPV-ZDUSSCGKSA-N 350.326 3.142 70 50 FGIA biogenic O=C(NCCc1noc(C2CCC2)n1)[C@@H]1CCCCN1Cc1ccccc1 217203552 CBHDZOGCRIPKPU-SFHVURJKSA-N 368.481 3.051 70 50 FGIA CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2C(C)(C)OC(=O)[C@]21C(=O)OC 217572882 NHDYZEYYDOLROC-DOPJRALCSA-N 350.798 3.044 70 50 FGIA CC(=O)c1c(C)nn([C@H](C)CC(=O)N2CCC(c3n[nH]cc3C)CC2)c1C 218047308 VIJFBWBZHQVLOB-CYBMUJFWSA-N 371.485 3.091 70 50 FGIA O=C(c1cnc2ccc(F)cc2c1O)N1CCO[C@@H](c2ccccc2)C1 218388252 HWSDRRPINRJKBN-GOSISDBHSA-N 352.365 3.293 70 50 FGIA Cc1ccc2[nH]c(SCC(=O)N3CCC[C@H](c4ccncn4)C3)nc2c1 217628900 CMHUZJXVEODAIM-AWEZNQCLSA-N 367.478 3.160 70 50 FGIA COC(=O)[C@H](CCSC)NC(=O)c1sc(-c2ccccc2)nc1C 218235026 BKKNLVXVVPNFEI-ZDUSSCGKSA-N 364.492 3.143 70 50 FGIA Cc1ccc2c(c1)c(CNC(=O)C1CCN(Cc3ccco3)CC1)nn2C 218295017 ZCUONIHAWLCQJW-UHFFFAOYSA-N 366.465 3.003 70 50 FGIA COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c(O)ccc2nsnc12 218545760 DMTSZYYCLYOQCL-SECBINFHSA-N 364.810 3.451 70 50 FGIA COc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)c(F)c1F 216932567 BEBOUWOHUVTNGN-CVEARBPZSA-N 364.436 3.196 70 50 FGIA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCOc2ccc(F)cc21 160718139 MVNUDTLLEQNXLL-UHFFFAOYSA-N 371.334 3.169 70 50 FGIA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 160840814 WWXCPQDKKLRCJY-SJORKVTESA-N 364.530 3.269 70 50 FGIA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCc2ccco2)n1 218265286 GDGXDOHKUDFREV-GOSISDBHSA-N 350.422 3.026 70 50 FGIA CC(C)c1cc(C(=O)N(C)Cc2cc(-c3ccccc3)on2)nc(N)n1 217495990 AKKICNMJCKPFAR-UHFFFAOYSA-N 351.410 3.109 70 50 FGIA Cc1csc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)n1 217856617 AIBQZGSQKKYLOR-LJQANCHMSA-N 354.479 3.136 70 50 FGIA CC1(C)C[C@@H](NC(=O)c2ccccc2NS(C)(=O)=O)c2ccccc2O1 159823632 MYMTXBBTZABXAB-MRXNPFEDSA-N 374.462 3.090 70 50 FGIA O=C(CCn1ccc(=O)c2ccccc21)NCCn1ccc2ccccc21 218508656 KMMRBPUSTNTGQB-UHFFFAOYSA-N 359.429 3.163 70 50 FGIA COCCCn1c(C)cc(C)c(C(=O)Nc2ccc3[nH]ccc3c2)c1=O 218290621 MYAYRYHGMPGALV-UHFFFAOYSA-N 353.422 3.235 70 50 FGIA Cc1[nH]c2c(C(=O)N3CCCn4nc([C@H](C)O)cc4C3)cccc2c1C 217379274 NSZSWWFEGYRBQA-AWEZNQCLSA-N 352.438 3.081 70 50 FGIA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cccc3cc(C)oc13)C2 217186537 SBJKZRUOLZJHOF-GOSISDBHSA-N 353.422 3.427 70 50 FGIA CCCCc1nc(CN2CCCn3nc([C@@H](C)O)cc3C2)c(Cl)[nH]1 217127945 UPRRNAUDSFWRKN-GFCCVEGCSA-N 351.882 3.061 70 50 FGIA COc1ccc(CCC(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)cc1OC 218254679 BNDQOXRKUHKMKS-AEMJNJESSA-N 373.493 3.346 70 50 FGIA CCNc1nc(C)c(C(=O)NC2CCN(c3ccccc3F)CC2)s1 217174833 QCIDKMJLHDLMPG-UHFFFAOYSA-N 362.474 3.421 70 50 FGIA Cc1csc(SCC(=O)N2CCC[C@@H](OCc3cccnc3)C2)n1 218452843 HIXRSEHUWCSWHK-OAHLLOKOSA-N 363.508 3.146 70 50 FGIA Cc1ncsc1CCN(C)C(=O)[C@H]1CCCCN1C(=O)c1ccccc1 217711962 PMBBIHZUNWPXNH-QGZVFWFLSA-N 371.506 3.147 70 50 FGIA O=C(CCc1ccc(F)cc1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218571418 JHSBAMADTYWLSU-RKOYOZNISA-N 369.436 3.322 70 50 FGIA COC(=O)CNC(=O)c1sc(-c2c(Cl)cccc2Cl)nc1C 218381745 TZXNCKVSRRTOEU-UHFFFAOYSA-N 359.234 3.328 70 50 FGIA Cc1c(NC(=O)N2CC[C@]3(CCOC3)C2)cnn1-c1cccc(Cl)c1 161084386 JLBYLVYPNVBYFB-SFHVURJKSA-N 360.845 3.478 70 50 FGIA CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)nc(N)n1 218526682 SZYPVNKKIWPWOQ-KRWDZBQOSA-N 364.453 3.111 70 50 FGIA CN(C)[C@H](C(=O)N1CCC2(CC1)CNc1ccccc12)c1ccc(F)cc1 217394314 BEVGFCOCZBPNSZ-FQEVSTJZSA-N 367.468 3.414 70 50 FGIA COc1cc2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)[nH]c2cc1OC 217670485 PKHMBEFIUOMVOT-KBXCAEBGSA-N 371.481 3.179 70 50 FGIA biogenic COc1cccc(OCC(=O)NC[C@@H]2CCN(c3ccccc3C)C2)c1 218086682 HMAFNTVHMUHMGA-KRWDZBQOSA-N 354.450 3.025 70 50 FGIA CCN(CC)Cc1cc(C(=O)N2CCC[C@H](c3ccncn3)C2)c(C)o1 218132677 WRFUPGFBGKEGLZ-INIZCTEOSA-N 356.470 3.240 70 50 FGIA Cc1c(F)cccc1C(=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218360136 IDUQWOLEYNKRQZ-PMTKGXAQSA-N 355.409 3.311 70 50 FGIA O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCC(c2ccncc2)CC1 216950065 BLCVZYSXJXQNIZ-UHFFFAOYSA-N 351.381 3.082 70 50 FGIA O=C([C@H]1CCc2ccccc2O1)N1CCCN(c2ccc(F)cc2)CC1 218590398 JCTRCRWJQFWNJE-HXUWFJFHSA-N 354.425 3.258 70 50 FGIA Cc1ccn2c(NS(=O)(=O)c3ccc(C(C)(C)C)s3)nnc2c1 160414711 YTRGLSSGWJBEDY-UHFFFAOYSA-N 350.469 3.198 70 50 FGIA COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)c(OC)c1OC 217896609 DRCRMHRJXKNFAD-CYBMUJFWSA-N 372.373 3.062 70 50 FGIA biogenic CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cc(-c2ccccc2F)n[nH]1 218704712 RHHWRFAGYZHHQC-MOPGFXCFSA-N 373.428 3.086 70 50 FGIA O=S(=O)(Cl)c1c(Br)ccc(F)c1Br 263622990 CSBITYDPEMXJEU-UHFFFAOYSA-N 352.406 3.278 70 50 FGIA COc1ccc(C2(C(=O)N3CCN(C)[C@@H](c4ccccc4)C3)CC2)cc1 217136343 LYELRRQMLBTGDE-HXUWFJFHSA-N 350.462 3.242 70 50 FGIA COc1cccc(F)c1C(=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218335308 KIMPAHQNCLTVLA-NODKNVJMSA-N 371.408 3.011 70 50 FGIA CCOc1ccccc1B(c1ccccc1OCC)c1ccccc1OCC 169804905 AALJYHVMJHHRAZ-UHFFFAOYSA-N 374.289 3.399 70 50 FGIA COc1cccc2ccn(CCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c12 217674714 GLSSHOJRPRASDQ-RBUKOAKNSA-N 369.509 3.421 70 50 FGIA biogenic CC(C)Cc1ccc(C(=O)Nc2cncc(OS(=O)(=O)F)c2)s1 1875387753 VZPKETWWDBNSTJ-UHFFFAOYSA-N 358.416 3.187 70 50 FGIA O=C(CCCc1cccc(Cl)c1)Nc1cncc(OS(=O)(=O)F)c1 1875387392 FZXDKVPWRCXDQJ-UHFFFAOYSA-N 372.805 3.290 70 50 FGIA Cc1ccc2[nH]c(C(=O)N3CCCn4nc([C@H](C)O)cc4C3)c(C)c2c1 217071887 LVYSMSPFWJLSJA-AWEZNQCLSA-N 352.438 3.081 70 50 FGIA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1ccccc1C(F)(F)F 218473728 FACYTARFSUIWBI-UHFFFAOYSA-N 369.387 3.115 70 50 FGIA Cc1nn(CCNC(=O)CO[C@H](c2ccccc2)C(F)(F)F)c(C)c1C 218348613 PGAFDMMIBXOGDH-QGZVFWFLSA-N 369.387 3.245 70 50 FGIA CC[C@@H](Sc1nc2ccccc2o1)C(=O)NCc1cnn2cccnc12 218446295 GAYAXNNXDYRFSC-OAHLLOKOSA-N 367.434 3.058 70 50 FGIA O=C(c1ccc(O)cn1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 217590195 VQCSSUNTTGRDMI-HFSMHLIXSA-N 352.434 3.080 70 50 FGIA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1CC(=O)Nc2ccccc21 218155905 HHQCJOGYXVNGQQ-FQEVSTJZSA-N 374.444 3.231 70 50 FGIA C[C@H](NC(=O)CCC(=O)N1CCCCCC1)c1cnn(-c2ccccc2)c1 217584973 ZENIRVQPEPGQLA-KRWDZBQOSA-N 368.481 3.232 70 50 FGIA O=C(CCSCc1ccccc1)N[C@H]1CCOC[C@H]1C1CCOCC1 218291693 HLWUMBNTJWRZRR-OALUTQOASA-N 363.523 3.258 70 50 FGIA COc1ccc2c(c1)[C@@H](NC(=O)c1ccn(C(F)F)n1)CC(C)(C)O2 218765135 RZXMMIGARGSTJK-ZDUSSCGKSA-N 351.353 3.319 70 50 FGIA C[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 218380488 OSRRSNZMZBJFTI-CYBMUJFWSA-N 359.857 3.054 70 50 FGIA CSCC[C@@H](CO)NC(=O)c1cc(C(C)C)nc2ccc(F)cc12 218404589 HOXRUVDBYOFGFQ-ZDUSSCGKSA-N 350.459 3.341 70 50 FGIA COc1ccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c(C)c1 218327863 MIEWREHEZWBMPZ-MYKUNDNFSA-N 367.445 3.181 70 50 FGIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(C(C)C)cc1 217647983 BAPSYEHKKQBLKO-AWEZNQCLSA-N 355.390 3.116 70 50 FGIA biogenic O=C1C[C@H](c2cccnc2N2CCCCC2)c2cc3c(cc2O1)OCO3 217934427 BGWSHLGBQYCUDP-CQSZACIVSA-N 352.390 3.242 70 50 FGIA biogenic O=C(c1cc2c(s1)CCCCC2)N1CCCO[C@H](Cn2cccn2)C1 217664709 FJWGZOJXUBVROF-INIZCTEOSA-N 359.495 3.145 70 50 FGIA CSc1ccc(CC(=O)N2CCCO[C@@H](CN3CCCCC3)C2)cc1 217771398 MZDBFACKLOKZDB-SFHVURJKSA-N 362.539 3.054 70 50 FGIA Cc1c(F)cccc1C(=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218360224 IDUQWOLEYNKRQZ-ALLBUHFWSA-N 355.409 3.311 70 50 FGIA Cc1c(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cnn1-c1cccc(F)c1 217656745 AMJDVGHRJYTJTI-OXJNMPFZSA-N 370.472 3.314 70 50 FGIA biogenic CCC(CC)[C@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)N1CCOCC1 160543783 RSTKWDIXNLNPQQ-RBUKOAKNSA-N 366.546 3.122 70 50 FGIA