smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCNC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 606679 BPXVCLHEXZBINH-OAHLLOKOSA-N 352.232 2.301 0 1 FEAF COCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1OC 2904186 GPJLDUGMSIJNTA-MSOLQXFVSA-N 367.401 2.293 0 1 FEAF CC(C)CC(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](C)CN1CCCCC1 25969752 PWJBLHDWOGSHTN-SJORKVTESA-N 366.502 2.400 0 1 FEAF COc1ccc(C[C@@H]2C(=O)OC[C@@H]2[C@@H](O)c2ccc(OC)c(O)c2)cc1O 2356532483 YNOCUODOFOEIFZ-NJSLBKSFSA-N 374.389 2.180 0 1 FEAF CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4[C@@H](O)CN(C2=O)[C@@H]13 2356694163 WPAFASNFOAYXNJ-YIPMCTQMSA-N 368.433 2.273 0 1 FEAF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1[C@H](O)c1ccc2c(c1)OCO2 14646884 DAYYVCOMHYXEFZ-MJXNMMHHSA-N 370.357 2.209 0 1 FEAF biogenic COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)cc1OC 195246464 YJWKFEOPTCAJCT-YOTXKYLOSA-N 353.418 2.299 0 1 FEAF O=Cc1c(O)ccc2[nH]c(-c3ccc(C(=O)N4CCOCC4)cc3)nc12 199613589 QBOWLMZDORQDOV-UHFFFAOYSA-N 351.362 2.220 0 1 FEAF CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 147399106 UVSSCCWYJBNLTH-VDISTLRHSA-N 368.434 2.396 0 1 FEAF Cc1cc(Cl)cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 586940181 WONLKKZZXQYAKH-VIFPVBQESA-N 353.835 2.298 0 1 FEAF COC(=O)c1ccnc2[nH]c(CCNC(=O)OCc3ccccc3)nc12 587228066 HMNPTSCQAKTOKL-UHFFFAOYSA-N 354.366 2.213 0 1 FEAF Nc1cc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cc1N 587201976 FAGWQIGRTYWWJT-OAHLLOKOSA-N 369.381 2.170 0 1 FEAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(O)nc(O)nc2[nH]1)C(C)(C)C 587202414 AFOFTTDXSYWQFS-QMMMGPOBSA-N 351.407 2.246 0 1 FEAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CCS(N)(=O)=O 587866052 CIOUASPMUDKMJE-UHFFFAOYSA-N 363.361 2.256 0 1 FEAF CC1(C)[C@H](OCCN)C[C@@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962731011 PYGUUZVOHJNQDX-VBQJREDUSA-N 356.388 2.301 0 1 FEAF Cc1c(O)ccc2c1[C@](C[C@H]1CCCN1)(c1ccco1)N[C@H](C(=O)O)C2 963512214 VTDRPXLNFFYBTE-SIFCLUCFSA-N 356.422 2.278 0 1 FEAF C[C@H]1CN(c2cc(-n3cnc4c(Cl)cccc4c3=O)ncn2)C[C@@H](C)O1 1772587934 DWZYNADPUMLZNO-TXEJJXNPSA-N 371.828 2.443 0 1 FEAF COc1cc(Cn2cnc3c(C)nc(N)nc32)c(Cl)c(OC)c1OC 14974578 GMQZKADYBPWTRQ-UHFFFAOYSA-N 363.805 2.444 0 1 FEAF O=C([C@@H]1CSCN1C(=O)CC1Cc2ccccc2C1)N1CCSC1 3777724 ZMENCBUYDQLCPV-INIZCTEOSA-N 362.520 2.226 0 1 FEAF O=C(Cc1c(C(=O)O)cccc1C(=O)O)NCCc1c[nH]c2ccccc12 2356284260 UJPGYQBOUORWDA-UHFFFAOYSA-N 366.373 2.466 0 1 FEAF COc1ccc2c(c1)nc1n2[C@H](CNCc2ccc(OC)nc2)COC1 2356299230 CGRPPOKHHWYEKY-CQSZACIVSA-N 354.410 2.310 0 1 FEAF CCc1[nH]c2nc(Oc3cncnc3)nc(N3C[C@H]4C(N)[C@@H]4C3)c2c1Cl 103087060 YZRGALHCPBRTES-NXEZZACHSA-N 371.832 2.149 0 1 FEAF CC(C)Nc1nc(-c2ccc(C(C)(C)N)nc2)cc2ncn(C)c(=O)c12 115625151 CZAJDVYZNWFVMI-UHFFFAOYSA-N 352.442 2.405 0 1 FEAF CCNC[C@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1 29125956 ITLODBHLYHWFIO-ZDUSSCGKSA-N 369.450 2.072 0 1 FEAF O=C1C[C@H](O)[C@H]([C@H]2C[C@@H](O)CCC23Oc2cccc4cccc(c24)O3)O1 2356516776 JGGAIMHFJGEJKE-LJPSSGMGSA-N 356.374 2.145 0 1 FEAF COC(=O)C(=CCc1ccc(O)cc1O)[C@@H](Cc1ccc(O)cc1O)OC 2356517896 XOIYYFFWMNRCSJ-LJQANCHMSA-N 374.389 2.409 0 1 FEAF CCc1ccccc1OCCNCCCCN1C(=O)[C@H]2CCCN2C1=O 38214790 FRCYSERZNGTJQN-QGZVFWFLSA-N 359.470 2.424 0 1 FEAF CCNC(=O)Cc1cnn2c(=O)cc(-c3ccc(Cl)c(OC)c3)[nH]c12 143106030 RZJWTNCBPYNMDF-UHFFFAOYSA-N 360.801 2.030 0 1 FEAF CCc1c(-c2ccc(N3CC[C@@](C)(CN)C3)cc2)[nH]c(=O)c(C(=O)O)c1O 143153947 ZAQGTCIVGDMKLS-FQEVSTJZSA-N 371.437 2.183 0 1 FEAF C[C@H]1N=CC([C@H]2C[C@@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)=N1 261167809 SGHCLOBTFNZTBO-CUXAGCJRSA-N 364.421 2.498 0 1 FEAF O=C(Cc1cccs1)N[C@@H]1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 34367132 HTMGDOLFVMFINJ-CJNGLKHVSA-N 369.446 2.407 0 1 FEAF biogenic O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 299877171 GUTAYNSVZHYNJE-LZLYRXPVSA-N 367.405 2.156 0 1 FEAF CNc1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1 653766404 ZATUCPRBMVYFLY-UHFFFAOYSA-N 350.342 2.465 0 1 FEAF N[C@@H](Cc1ccc(I)cc1)c1nc2ncc[nH]c-2n1 587186199 QPWPZBGQWDIYIB-JTQLQIEISA-N 365.178 2.152 0 1 FEAF CO[C@H](C)COC1CCC(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)CC1 587951930 JYYYNFFMLBMVHU-PNESKVBLSA-N 367.471 2.288 0 1 FEAF N=c1[nH]c2nc(CSc3nc(-c4cccnc4)no3)nc-2c(Cl)[nH]1 586967032 PMTIUSRAIAHOQF-UHFFFAOYSA-N 360.790 2.108 0 1 FEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](O)C(=O)c2ccccc21 587486920 XXYCTAUWSCHNRG-NQIIRXRSSA-N 366.369 2.332 0 1 FEAF COCC[C@]1(CC(=O)OC)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962759154 BERCLEZBIDKCAG-CZUORRHYSA-N 359.344 2.127 0 1 FEAF O=c1/c(=C\c2ccccc2)sc2n1CN(c1ccc(Cl)cc1)CN=2 1146426 USGWQXMAFLESPV-MHWRWJLKSA-N 355.850 2.447 0 1 FEAF O=C(N[C@H]1CCc2ccccc2NC1=O)c1n[nH]c(Cc2ccccc2)n1 220892701 BHGLFKVEJPVPQY-INIZCTEOSA-N 361.405 2.079 0 1 FEAF O=C(CN(C(=O)[C@@H]1CSC(=O)C1)c1cccc(F)c1)NC1CCCC1 1328253 FEIKQBNIGTUXNC-LBPRGKRZSA-N 364.442 2.497 0 3 FEAF C[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 2923856 JDHMBNGUALYYBZ-DOTOQJQBSA-N 371.547 2.124 0 1 FEAF CCOC(=O)N1CCC(NC(=O)c2oc3c(c2C)-c2n[nH]cc2CC3)CC1 3907794 FZJRAQBNHZRBNX-UHFFFAOYSA-N 372.425 2.427 0 3 FEAF OC[C@@H]1CNC[C@H]1Nc1nc(-c2cc(F)ccc2O)nc2ccccc12 59288690 PRGPPWCWSUEOIJ-MEDUHNTESA-N 354.385 2.134 0 1 FEAF Cc1ccc(-n2c(=O)c3c(cnn3C)n(Cc3ccccc3F)c2=O)cc1 8592196 AOLVIEBWQQURAC-UHFFFAOYSA-N 364.380 2.382 0 1 FEAF COCC[C@H]1[C@@H]2N3CCc4c([nH]c5ccccc45)[C@]2(C(=O)OC)C[C@H]1C3 102039029 VNPGFSWKZRZJCI-VTGFDGEISA-N 354.450 2.492 0 1 FEAF CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)O)cc1 66074760 WKYAPDHPAALDDA-INIZCTEOSA-N 356.378 2.173 0 1 FEAF CC=C1CN2CC[C@@]34c5ccccc5N5C(=O)[C@H](OC)OC[C@@H]([C@H]53)[C@H]1C[C@@H]24 2356720750 IMOHOYNAXXYHHX-UBIWWZOSSA-N 366.461 2.313 0 1 FEAF CCCCN1C(=O)c2ccccc2[C@@]1(O)c1ccc2c(c1)NC(=O)CO2 38267062 PDJBXTTYRLDGSW-FQEVSTJZSA-N 352.390 2.467 0 1 FEAF Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)nn3C3CC3)nc12 210599492 UNEZRISWCAWDFE-UHFFFAOYSA-N 352.446 2.053 0 1 FEAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](C)N2 82207120 DAQGTBHPEUGVFD-CYBMUJFWSA-N 357.458 2.115 0 1 FEAF Nc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1N 587193838 SQWNBKXZQKTJBH-UHFFFAOYSA-N 353.426 2.247 0 1 FEAF CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2ccc(S(C)(=O)=O)cc12 587651687 XUGHNFMPTWPUPD-UHFFFAOYSA-N 372.402 2.379 0 1 FEAF CCOC(=O)[C@@](C)(OC(C)=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438502 GCQDAIGLRWDBLW-ZNZDAUKMSA-N 362.378 2.086 0 1 FEAF Cc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 587182146 MAORHYDZESZSRT-UHFFFAOYSA-N 368.134 2.344 0 1 FEAF C[C@@]1(c2csnn2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642384 ZHMNKBAZLBWKSC-ZWNOBZJWSA-N 359.329 2.299 0 1 FEAF Cc1cc(C)cc(Oc2ccnc(NCCn3ccc(O)nc3=O)n2)c1 1772604384 VZRDYABXCNFOLF-UHFFFAOYSA-N 353.382 2.260 0 1 FEAF CC1(C)Oc2cc(O)c3c(c2C[C@H]1O)OC[C@H](c1ccc(O)cc1O)C3=O 13416199 YBSZKJGFDYIZGI-MLGOLLRUSA-N 372.373 2.237 0 1 FEAF endogenous,in-man CCOc1ccc2[nH]c(C(=O)NCc3cccc(OC)c3)nc(=O)c2c1 204233951 PHJGGEHZZVXZND-UHFFFAOYSA-N 353.378 2.260 0 1 FEAF COc1cccc(C2=NO[C@H](CN3C(=O)c4ccccc4S3(=O)=O)C2)c1 1857541041 XZAMSVPSLLXZMX-AWEZNQCLSA-N 372.402 2.033 0 1 FEAF COCCCN1C[C@H]2[C@H](CNC(=O)c3cccn4cc(C(C)C)nc34)[C@H]2C1 1857647828 VRFDUPUIVSYUKE-NNZMDNLPSA-N 370.497 2.402 0 1 FEAF Nc1c(F)ccc2c1nc(-c1ccc(P(=O)(O)O)o1)n2CC1CC1 1549125 SLLOKLAJTOKILD-UHFFFAOYSA-N 351.274 2.231 0 1 FEAF Cn1cc(C2=C(c3cccc(OCCN)c3)C(=O)NC2=O)c2ccccc21 1551645 SBZRRXHZTHRZPW-UHFFFAOYSA-N 361.401 2.083 0 1 FEAF O=C1[C@H]2C[C@@H](CN2C(=O)C2CCOCC2)Oc2ccccc2N1CC1CC1 2356311434 QQLROJAFNLGUCQ-FUHWJXTLSA-N 370.449 2.218 0 1 FEAF CC=C1CN2[C@H]3C[C@]45c6ccccc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)OC 2356429680 DSIOBDCLSMIECF-ZGXHVFIOSA-N 352.434 2.270 0 1 FEAF C/C=C1/CN(C=O)[C@H]2C[C@H]1[C@H](C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 101433712 NKMFTVSMLXLPDB-URKYHNMFSA-N 368.433 2.063 0 1 FEAF Cc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)N1CCCCC1 101808148 CSSFMMIGCLIJMZ-UHFFFAOYSA-N 359.451 2.351 0 3 FEAF CNCc1cn(S(=O)(=O)c2ccccn2)c(-c2cccnc2F)c1F 116578965 NVAYGVPZUZDNBW-UHFFFAOYSA-N 364.377 2.180 0 1 FEAF COc1cccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)c1 66112539 NNINGARDLYXIQC-UHFFFAOYSA-N 352.308 2.464 0 1 FEAF CCOc1ccccc1CNC(=O)c1nc(C(C)(C)C)n(C)c(=O)c1O 29047930 DMTQWFCGBWIWPC-UHFFFAOYSA-N 359.426 2.112 0 1 FEAF O=C(CCc1ccn(-c2ccc(O)cn2)n1)Nc1ccccc1C(=O)O 28823810 PLXBCICQWMMKFY-UHFFFAOYSA-N 352.350 2.242 0 1 FEAF CCOC(=O)N1CCC(N[C@H]2CCN(C(=O)c3ccccc3C)C2)CC1 73158513 SXMDVMCLXZRSDZ-KRWDZBQOSA-N 359.470 2.420 0 1 FEAF O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(F)c(F)c2)cc1 72107574 QVWLSNRYGITRGX-UHFFFAOYSA-N 354.334 2.262 0 1 FEAF C[C@@]1(C(=O)O)[C@@H](O)CC[C@@]2(C)[C@@H]1CC=C1C[C@@](C)([C@@H](O)CO)CC[C@@H]12 95919160 MEDUZUJSTHFNDY-VBSSCBDISA-N 352.471 2.344 0 1 FEAF biogenic,in-vitro Nc1ncc(-c2ccc(C3(c4noc(-c5c[nH]nn5)n4)CCC3)cc2)cn1 149812430 BTQYIFBOCHWFEJ-UHFFFAOYSA-N 360.381 2.364 0 1 FEAF CNS(=O)(=O)N1CCC(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC1 586954983 QMXHFNHXPVRLTB-UHFFFAOYSA-N 364.805 2.138 0 1 FEAF N=c1[nH]cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)nc-2[nH]1 587002053 SHYMLVYSMBCJDG-OWOJBTEDSA-N 374.198 2.421 0 1 FEAF CO[C@@H](C)COC1CCC(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)CC1 587951929 JYYYNFFMLBMVHU-HIFPTAJRSA-N 367.471 2.288 0 1 FEAF COc1ccc2c(c1)[C@@]1(CCN2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963512483 WPCNAMPJXLNRTP-OXJNMPFZSA-N 354.406 2.367 0 1 FEAF Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](N)C5)n4)n[nH]c3cn2)cn1 205256055 UZSKGLPUMSUOBY-AWEZNQCLSA-N 374.452 2.348 0 1 FEAF O=C1CC[C@H](C(=O)Nc2ncc(Cc3ccccc3Cl)s2)NN1 207160069 UVBPSXSMDNKCCY-GFCCVEGCSA-N 350.831 2.109 0 1 FEAF NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1O[C@H]1CCOC[C@@H]12 103253330 FECKRAVCIHUDOA-QOKNQOGYSA-N 355.369 2.225 0 1 FEAF Cn1cc(-c2cnn3c(N)c(-c4cccnc4)c([C@@H]4CCCNC4)nc23)cn1 60327544 OLCVXDZESSBELS-CQSZACIVSA-N 374.452 2.241 0 1 FEAF CC(C)NC(=O)NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc2C1 2356844247 NSSMDFKEHFZVHA-HMXCVIKNSA-N 370.541 2.463 0 1 FEAF CCN1CCN(CC(=O)Nc2ccc3[nH]c(-c4cccn4C)nc3c2)CC1 72106775 QJBKXKQURHDULV-UHFFFAOYSA-N 366.469 2.144 0 1 FEAF COc1ccc(CCNc2nc(N3CCC(C(N)=O)CC3)ncc2C)cc1 82203965 IIXSROWMBQSVEH-UHFFFAOYSA-N 369.469 2.150 0 1 FEAF COc1cc(-c2cnc3c(N4CCOCC4)nccn23)cc(OC)c1OC 147798664 XUVQDOKJUZEZAL-UHFFFAOYSA-N 370.409 2.259 0 1 FEAF C[C@@H](O)[C@H]1CC[C@]2(O)[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 255214180 GWFUMWNECJPGQG-JAWWYIPJSA-N 350.499 2.393 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@H](C)[C@]21C 257604059 WKMBTXJFBQEZHO-NXLINYLISA-N 362.422 2.452 0 1 FEAF endogenous,in-man Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccccc2F)C3=O)n1 653747999 RANMCCYDHAOPMK-UHFFFAOYSA-N 367.340 2.266 0 1 FEAF Nc1ccn2c1[C@]1(CNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589611 VXTVATWNMLZIIK-OXQOHEQNSA-N 363.373 2.194 0 1 FEAF O=Cc1ccc(OCc2occc2-c2nc3c(O)nc(O)nc3[nH]2)cc1 586900756 LQEDEELDNOBGKF-UHFFFAOYSA-N 352.306 2.416 0 1 FEAF COc1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1 586931884 OGOSHKKQVLTJKK-UHFFFAOYSA-N 361.423 2.401 0 1 FEAF COCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 587756442 DSSHQFVTMMMYQE-CLAHSXSESA-N 355.211 2.407 0 1 FEAF CN1C(=O)C[C@H]2CN[C@H](c3c(Br)ncn3C)c3cccc1c32 963034238 QXGVMFAXQRDMEC-XPTSAGLGSA-N 361.243 2.325 0 1 FEAF Cc1ccc(N2C(=O)c3ccccc3[C@@H]2CC(=O)N2CCN(C)CC2)nc1 1772571407 FNJJRBYQIFDWBK-SFHVURJKSA-N 364.449 2.256 0 1 FEAF CC(=O)[C@H]1[C@H](c2ccccc2OC(F)F)NC(=O)N[C@@]1(O)C(F)(F)F 12377550 DSGBODYJDMNJDK-KWBADKCTSA-N 368.258 2.098 0 1 FEAF C[C@H](O)CCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 169692554 WTJYDBMHYPQFNJ-VGWDAHHWSA-N 368.470 2.222 0 1 FEAF O=C(N[C@H]1CCOC1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166762097 FFYXSQIZJNPWAU-INIZCTEOSA-N 352.394 2.148 0 1 FEAF C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)[C@@H](C)[C@@H](C)O)C(C)=CCC[C@@]1(C)O[C@H]21 253668055 MPNJUHHXWPDZRT-KWYNBGBGSA-N 364.438 2.301 0 1 FEAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC[C@@H](O)CO 776257 QCFHBOXNRVRSMA-GFCCVEGCSA-N 362.426 2.121 0 1 FEAF C[C@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@H]1NCCc2c1[nH]c1ccccc21 103021649 OSVWDXIDKQZVIQ-BDJLRTHQSA-N 368.437 2.048 0 1 FEAF N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1cc(F)ccc1F 28359896 HHMZCPXVXBWKDD-RTBURBONSA-N 373.447 2.268 0 1 FEAF CN(C)C[C@H]1Cc2c([nH]c3ccc(C(=O)Nc4nccs4)cc23)C(=O)N1 29125394 UZGMDHZNDFGHSD-LLVKDONJSA-N 369.450 2.093 0 1 FEAF CC(=O)Nc1ccc2c3c(n(CCCN)c(=O)c2c1)-c1ccccc1[C@H]3O 95553300 IPZVPGLOKKFFFS-HXUWFJFHSA-N 363.417 2.371 0 1 FEAF CCCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 253690224 STRMKLVHDMFVTN-LAHIWGOJSA-N 355.434 2.226 0 1 FEAF CC[C@@H](O)CC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 299828759 WFOYXANVMZAHLK-FCGKCIIOSA-N 370.486 2.014 0 1 FEAF COc1ccc2c(c1)C[C@H](c1nc3cccc(S(N)(=O)=O)c3[nH]1)CC2 587946807 NHNUJJKEZKHABL-GFCCVEGCSA-N 357.435 2.491 0 1 FEAF O=S(=O)(NCCc1nc2cncc(Cl)c2[nH]1)c1ccc(Cl)nc1 586942850 QGFRTTFDMVIDPE-UHFFFAOYSA-N 372.237 2.181 0 1 FEAF NC(=O)c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962955887 AFQNEPJRSLSRML-DOMZBBRYSA-N 366.751 2.405 0 1 FEAF O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(O)c3)n(-c3ccccc3)n2)CN1 169707058 YWLVZVZILIKYSY-CQSZACIVSA-N 362.389 2.320 0 1 FEAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@H]4CCN(C)C4)c(=O)n1c23 1857549499 ORZMLPVPMITQBR-VXGBXAGGSA-N 373.428 2.035 0 1 FEAF CCO[C@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CCN42)[C@@H]6[C@H]53 103580496 WHEDIELHNDPRJQ-QAXXQCMOSA-N 364.445 2.414 0 1 FEAF biogenic,in-vitro C[C@@H]1CCCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28892047 IFCYHVCTAATODB-WBVHZDCISA-N 362.495 2.353 0 1 FEAF CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cccc(C)c2C)C1 61902696 BTQIOYVWWUZZOJ-GOSISDBHSA-N 366.483 2.012 0 3 FEAF COc1cc(C[C@H](C)[C@H](C)C[C@@]2([C@H](O)C(C)=O)C=CC(=O)O2)ccc1O 2356588123 JGRCQBGEMXBGIJ-FTMMXZFXSA-N 362.422 2.407 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 2356639613 WMGYLVZNPCNSGB-JIPAJGMOSA-N 364.438 2.387 0 1 FEAF COc1ccc(CNC(=O)c2cc(=O)c3c(O)cccc3o2)cc1OC 28637282 XUTSNNFNWIFPKR-UHFFFAOYSA-N 355.346 2.446 0 1 FEAF CSc1ncnc2c1ncn2CCCN1CCN(c2ccccn2)CC1 61922475 BLNXRRPAOHEWBQ-UHFFFAOYSA-N 369.498 2.156 0 3 FEAF Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2cccc(Cl)c2)c1 40411217 VWCMAGONQJHIJZ-QFBILLFUSA-N 373.932 2.136 0 1 FEAF CCc1cc2c(s1)B(O)N(S(=O)(=O)c1ccccc1Cl)C=C2 195063309 OYQMFOWTBIQBTE-UHFFFAOYSA-N 353.661 2.327 0 1 FEAF CC(C)[C@]1(O)CC[C@H]2C(=C[C@H](O)[C@H]3[C@](C)(C(=O)O)CCC[C@]23C)[C@H]1O 95592465 SECUAKPOJHKDJF-DCGFJQNMSA-N 352.471 2.343 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)C=C2C(N)=O)N1 587775125 QUWGWLONKFGVPJ-FVMDXXJSSA-N 366.234 2.146 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(C(=O)O)N1 587825765 FFOZZWNWIJBJDM-JKYUHCHBSA-N 360.179 2.267 0 1 FEAF CCOC(=O)[C@@]1(C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587797963 NCAJNGHPKZPELV-GLEZIHRCSA-N 358.207 2.470 0 1 FEAF CN1CCN(C(=O)c2ccc(-c3cc4c(O)cccc4c(O)n3)cn2)CC1 1772583760 IBDBDNBKOTVDFV-UHFFFAOYSA-N 364.405 2.096 0 1 FEAF COc1cc(C(=O)NCc2cccc(C(N)=O)c2)ccc1-c1cn[nH]c1 1772587434 DVTKMLJDBJSXHF-UHFFFAOYSA-N 350.378 2.114 0 1 FEAF CN1C[C@H](c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)CC1=O 1772653178 KFFGKBVDMVCEKY-GOSISDBHSA-N 370.474 2.379 0 1 FEAF COc1ccc(S(=O)(=O)NC(=S)NCc2ccccc2)c(C)c1 169322856 OHSCZTXTZIJCDH-UHFFFAOYSA-N 350.465 2.357 0 1 FEAF O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)Nc1cnc2ccccc2c1 169689782 ZJEUUDOBFLQKBE-IJPWUHMPSA-N 373.412 2.226 0 1 FEAF CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)s1 168200076 RNSAKRHYCKLORM-OXHZDVMGSA-N 374.466 2.187 0 1 FEAF Cc1ccc(C)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccnc2)c1 201488716 LHNGVCRSKVWRIE-QGZVFWFLSA-N 359.451 2.490 0 3 FEAF COC(=O)c1ccc2c(c1)nc1n2[C@H](CNC(=O)c2ccccc2)COC1 2356410597 PHUNKFSEALFVKT-OAHLLOKOSA-N 365.389 2.324 0 1 FEAF COc1cc2c(cn1)OC[C@]21C(=O)N(C[C@@H]2CCCO2)c2ccccc21 103177722 ZPBJZVCHEDJNGK-RNODOKPDSA-N 352.390 2.294 0 1 FEAF Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(N1CCOCC1)CC2 28571067 XMYNASWBBIOCIR-AWEZNQCLSA-N 363.458 2.091 0 1 FEAF C[C@]1([C@@H](O)CO)CC[C@H]2C(=CC[C@H]3[C@](C)(C(=O)O)[C@@H](O)CC[C@]23C)C1 59587424 MEDUZUJSTHFNDY-GPRZKFDUSA-N 352.471 2.344 0 1 FEAF biogenic,in-vitro COc1cc(C[C@H]2[C@@H](O)OC[C@@H]2Cc2ccc3c(c2)OCO3)ccc1O 2356467193 GTIWICQLBSBHFL-MDOVXXIYSA-N 358.390 2.496 0 1 FEAF CN1CCC(N2C[C@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)CC1 2356673787 UUWZANPCRJEWDX-WMLDXEAASA-N 350.413 2.335 0 1 FEAF COC(=O)CNc1ccc(-c2nc(Cc3ccc(OC)cc3)no2)cn1 20780273 MPBXIJRHMMFZHW-UHFFFAOYSA-N 354.366 2.316 0 1 FEAF NC(=O)c1sc2nccc(N3CCN(c4ccccc4)CC3)c2c1N 38894827 NLYZRJUSAMBMBG-UHFFFAOYSA-N 353.451 2.304 0 1 FEAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C[C@@H]1O[C@H]1CCCC(=O)O 40165446 CBOBGOJUDRNUHE-LSKJZPHFSA-N 368.470 2.462 0 1 FEAF endogenous,in-man O=C(NCc1ccccc1)c1cn(COCCO)c2ccc(F)cc2c1=O 43078632 SARXBJJPURNPFN-UHFFFAOYSA-N 370.380 2.037 0 1 FEAF CC1(C)C[C@@H](C(N)=O)N(C(=O)c2ccc(C3CC3)c(OCC3CC3)n2)C1 146287162 RETHWCMGLIJVRD-INIZCTEOSA-N 357.454 2.474 0 1 FEAF COc1ccc(C[C@H]2CCn3cc(nn3)COC[C@@H](C(C)C)NC2=O)cc1 95898405 BUJNRAADAGIHRJ-APWZRJJASA-N 372.469 2.207 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1[C@]23O[C@@]2(C[C@H]2CC[C@H](O)[C@H](C)[C@@]21C)OC(=O)[C@@H]3C 257421589 FYNKIYMILKEXOG-DTKLGNSDSA-N 364.438 2.340 0 1 FEAF endogenous,in-man CN(C)CCNc1cc2c(cn1)cc(NC(=O)c1ccccc1)c(=O)n2C 653867716 ADJILIHSJCEIAW-UHFFFAOYSA-N 365.437 2.159 0 1 FEAF Cn1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587581216 KXLGYVSGCLGLAV-HNAYVOBHSA-N 366.329 2.067 0 1 FEAF Nc1cc(O)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587657338 UMABKTJBFPRWKV-UHFFFAOYSA-N 367.315 2.409 0 1 FEAF Cc1nn(C)cc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1N1CCOCC1 587650257 IAKWDOUSVGJVPZ-UHFFFAOYSA-N 374.466 2.117 0 1 FEAF COC(=O)C[C@@]1(C2CCC2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963226333 DSOAQWMQHNRIOU-PXNSSMCTSA-N 354.406 2.392 0 1 FEAF COc1cccnc1Cn1ccc2nc(N)nc(OCc3ncc(C)o3)c21 1772623722 SUPWHGQWXOTECY-UHFFFAOYSA-N 366.381 2.341 0 1 FEAF COc1cccc(OCC(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)c1 200150442 FEWKYLIQAFEHAS-LJQANCHMSA-N 368.433 2.384 0 1 FEAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cc2ccccc2cn1 33820030 PJTWMWBNPLEDHP-UHFFFAOYSA-N 373.412 2.402 0 1 FEAF CC=C1CN2CC[C@]34c5ccc(OC)cc5N(C(C)=O)[C@H]3[C@@H](CO)[C@H]1C[C@@H]24 2356378418 JPKPBLJUUCAYPU-RGBOINFLSA-N 368.477 2.331 0 1 FEAF Cc1cccc(C)c1NC(=O)C1(NC(=O)[C@H]2CCC(=O)N2)CCCCC1 8684172 GJVIITRSWDHSAI-OAHLLOKOSA-N 357.454 2.340 0 3 FEAF Cc1c2c(N)c(C(=O)NC3CN(c4cccc(Cl)n4)C3)ccc2nn1C 1911574413 YIKVXMZKYWQHGA-UHFFFAOYSA-N 370.844 2.131 0 1 FEAF Cc1c(CN)c2cc(F)c(N3C[C@H]4C[C@]4(N)C3)c(C)c2n(C2CC2)c1=O 1911578439 BTBFRTQVSFZWCG-ODXCJYRJSA-N 356.445 2.088 0 1 FEAF C(=C/c1cn2cc(C3=NCCN3)ccc2n1)\c1ccc(C2=NCCN2)cc1 27436590 RTEICPHWHYJTBC-XVNBXDOJSA-N 356.433 2.204 0 1 FEAF C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(N)=O)cc4)cc3c21 28902180 NDMYAICTRHCZJH-SNVBAGLBSA-N 362.389 2.366 0 1 FEAF COc1ccc(C=Cc2ccc3c(c2)C(=O)N2CC[C@@H](N)[C@@H]2C(=O)N3)cc1 2356851069 QDXPXKLBFDHUCR-IEBWSBKVSA-N 363.417 2.360 0 1 FEAF COC[C@@H](NC(C)=O)C(=O)NCc1ccc(OCc2ccccc2F)cc1 49783713 YOCDRDLQECAIQE-LJQANCHMSA-N 374.412 2.172 0 1 FEAF Cc1ccc(-c2ccnc(NC(P(=O)(O)O)P(=O)(O)O)c2)cc1 84653655 QPAVJHCUKBNAFA-UHFFFAOYSA-N 358.227 2.108 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CNC(=O)NCCC)cc1 95667329 MLXBAVGFECZQJY-FUQNWXFXSA-N 359.470 2.104 0 1 FEAF CNc1ncc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)s1 95605502 CDKRFBBXZQUTDX-UHFFFAOYSA-N 362.440 2.033 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCN(C)C4)ncc23)ccn1 261182738 WKQPYEANRJSKCM-CYBMUJFWSA-N 351.414 2.154 0 1 FEAF C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)c1ccccc1 618014002 IGXCFMLPOHWBNU-PWDMQXDWSA-N 352.438 2.072 0 1 FEAF CC(C)(C)OC(=O)N1C[C@H]2c3nc4nc(O)nc(O)c4cc3CC[C@H]2C1 587559297 WYXHVGLSENTXQI-CMPLNLGQSA-N 358.398 2.333 0 1 FEAF Cc1cc2c(cc1O)[C@H](c1nccn1CC(F)(F)F)N[C@H](C(=O)O)C2 963466674 DMAJILDEQLAYSN-WCQYABFASA-N 355.316 2.148 0 1 FEAF O=C(C(=S)N1CCOCC1)c1ccc(I)cc1 1772570857 MGBANFQMLFPFNN-UHFFFAOYSA-N 361.204 2.134 0 1 FEAF COC(=O)[C@@H](NCc1cccc(CN[C@H](C(=O)OC)C(C)C)c1)C(C)C 12471132 MJFFZBGEQOCWDD-ROUUACIJSA-N 364.486 2.261 0 3 FEAF COc1ccccc1N1CCN(CCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 13741013 XQGRZJQQNFCESY-FGTMMUONSA-N 355.482 2.146 0 1 FEAF COc1cccc2c1OC[C@H](CNCC1CCN(c3ncccn3)CC1)O2 13799851 ZWBHAGQLIGOXOP-INIZCTEOSA-N 370.453 2.131 0 1 FEAF Cc1cc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)cnc2s1 2927702 CJRBNBVZQVTXTD-UHFFFAOYSA-N 368.462 2.115 0 3 FEAF Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)c1C 4931240 QHYZEGUSTPMRTK-CQSZACIVSA-N 362.455 2.066 0 1 FEAF CN(C)C(=O)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 2356301170 RQODQLZWDGKWKT-QXAKKESOSA-N 359.518 2.200 0 1 FEAF CN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@H]2Cn1cc(CC2CCCCC2)nn1 2356301172 RQODQLZWDGKWKT-WDSOQIARSA-N 359.518 2.200 0 1 FEAF CC(=O)S[C@@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc(F)cc1 27306705 BZLNEMCQBXUFCZ-KBPBESRZSA-N 367.398 2.122 0 1 FEAF COC(=O)C1=CO[C@H](C)[C@@H]2CCN3CC[C@]4(C(=O)Nc5ccccc54)[C@H]3[C@@H]12 2356684663 UNCUIOYXLHTFMA-PNNYZDKCSA-N 368.433 2.063 0 1 FEAF COc1cccc(CN2c3nccc[n+]3C[C@@]2(O)c2ccc(F)cc2)c1 72122015 RLJBNGTUMUPMIK-HXUWFJFHSA-N 352.389 2.382 0 1 FEAF C[C@@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3ccncc3)c(=O)n21 82212116 NRKDNWCYQSTUCL-CQSZACIVSA-N 369.469 2.432 0 1 FEAF O=C(O)CCC/C=C\C[C@@H](O)/C=C/[C@H](O)[C@H](O)C/C=C\CCCCCO 223074222 ZPPVESFLJWNSHL-SCJAPXFFSA-N 370.486 2.326 0 1 FEAF in-vitro CC(C)N(C[C@H]1N[C@H](CO)[C@H]1c1ccccc1)S(=O)(=O)c1ccccc1 95895899 MJHLLXRZRXRNAA-AQNXPRMDSA-N 374.506 2.202 0 1 FEAF C[C@@H]1[C@@H](C)[C@@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@@H](C(O)O)[C@@H]1C 95626108 DCVIOAHIQDCAHO-RKHOGGKKSA-N 364.438 2.257 0 1 FEAF in-man Cc1nn(C)c(F)c1C(=O)c1c(CO)oc2cc(Br)cnc12 587276775 VPZVWNBAKDLLBR-UHFFFAOYSA-N 368.162 2.495 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cnn(C)c2)N1 587764146 OMLZIITVJPILKK-GLEZIHRCSA-N 368.206 2.184 0 1 FEAF Cc1c(-c2nc3c(O)nc(O)nc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073358 GXALTDUOAAUSAL-UHFFFAOYSA-N 357.761 2.033 0 1 FEAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cnncc2[nH]1 586946513 ZHRFJFRSBWJRHD-UHFFFAOYSA-N 361.408 2.153 0 1 FEAF C[C@H]1C[C@@H]1C(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)OCc1ccccc1 13443231 IGUJARIQHGSCCJ-XPYWIHLFSA-N 356.422 2.427 0 1 FEAF C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2cnccn2)C1=O 1857541383 PFSGEFYLEHABKV-KRWDZBQOSA-N 366.465 2.306 0 1 FEAF Cc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc2cn1 146342057 IVWCTWKMIKCZCU-UHFFFAOYSA-N 361.405 2.221 0 1 FEAF Cc1[nH]c2ccccc2c1C1=C(C(=O)N2CCCCC2)C(=O)N(C)C1=O 59086576 YVMLKXPFDKXGPS-UHFFFAOYSA-N 351.406 2.241 0 1 FEAF C[C@@H](c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(CCO)CC1 26296395 QYBDNKCNIXORPK-KRWDZBQOSA-N 374.506 2.190 0 1 FEAF Cn1ccc(NC(=O)c2ncn(Cc3cccc(C(F)(F)F)c3)n2)n1 66074102 WQYFWLITGIGCJR-UHFFFAOYSA-N 350.304 2.331 0 1 FEAF CCOC(=O)c1ccc(CN2CCC[C@@](C)(C(=O)NCCOC)C2)cc1 61926409 BAUBHBLQCFFKEL-HXUWFJFHSA-N 362.470 2.228 0 3 FEAF NC[C@H]1Cc2cc(-c3nccc(N4CCC(O)CC4)n3)cc(Cl)c2O1 67654297 XGSQDPSCMLMJTN-CQSZACIVSA-N 360.845 2.020 0 1 FEAF NCc1cn(C[C@@H]2CCCN(C(=O)NCc3ccc(Cl)cc3)C2)nn1 23398161 KNNFUXJSRCAZQX-CQSZACIVSA-N 362.865 2.012 0 1 FEAF COc1cc2c(cc1O)OC[C@H](c1cc(O)c(OC)c(OC)c1O)[C@@H]2O 2356459416 KUHHMUVZOXYVFV-MEBBXXQBSA-N 364.350 2.039 0 1 FEAF COc1ccc(C[C@@H](CO)[C@@H](CO)Cc2ccc3c(c2)OCO3)cc1OC 14437666 NRCFNUXLFQWEKJ-DLBZAZTESA-N 374.433 2.435 0 1 FEAF biogenic COc1cccc(C2=N[C@](C)(CC(=O)NCc3cccc(O)c3)ON2C)c1 74373486 PPADIPIQLXCCQY-FQEVSTJZSA-N 369.421 2.447 0 3 FEAF CN(CC1CC1)[C@@H]1Cc2ccc(O)c3c2[C@@]2(CCO3)CC(=O)CC[C@@]12O 45365715 DNHRXKRQWRVVFT-DUXKGJEZSA-N 357.450 2.163 0 1 FEAF O=S(=O)(c1c(Cl)nc2sccn12)n1ccc2ncc(O)cc21 43070161 PPUVNTBWWLDXLY-UHFFFAOYSA-N 354.800 2.342 0 1 FEAF Cn1ccnc1-c1nnc2n1CCN(C(=O)c1ccc(F)cc1Cl)C2 95553093 YTGPNKWDXUSBGX-UHFFFAOYSA-N 360.780 2.127 0 1 FEAF CCOC(=O)[C@H]1[C@H]([C@@H](O)c2ccc(OC)cc2)[C@]12C(=O)Nc1ccccc12 473154211 FHGVKQIRFUKYDT-WIRSXHRWSA-N 367.401 2.428 0 1 FEAF COCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 587756444 DSSHQFVTMMMYQE-RMLUDKJBSA-N 355.211 2.407 0 1 FEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 586957928 FYMIYWZCMQDDQW-HNNXBMFYSA-N 371.340 2.449 0 1 FEAF CC(C)OP(=O)(COCCn1cnc2c(N)nc(N)nc21)OC(C)C 5882096 DVLIDGCMMWRQRA-UHFFFAOYSA-N 372.366 2.008 0 1 FEAF COc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)ccc1=O 3807480 KEIVGOROUOTWOX-KRWDZBQOSA-N 368.389 2.184 0 1 FEAF NC(=O)C1CCN(C(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)CC1 4019786 BLKYNBKAFUWDCN-UHFFFAOYSA-N 355.419 2.080 0 1 FEAF COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](N)c1cc(=O)c(OC)ccc12 27712012 OHYIBXYNGHWVCH-YJLNNSPDSA-N 359.422 2.177 0 1 FEAF COC[C@@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccccc1 2356854791 RSIJLFBFNWOKOK-TUFLPTIASA-N 371.525 2.238 0 1 FEAF CCOc1ccccc1CN1CCc2nc(N3CCN(C)CC3)ncc2C1 34870516 ACQARUYWFRNNCM-UHFFFAOYSA-N 367.497 2.185 0 1 FEAF COc1cc2c(cc1OC)[C@H]1CN(C(=O)C3CCCC3)CC(=O)N1CC2 73219435 WCBLYKYKLVLQQF-MRXNPFEDSA-N 358.438 2.162 0 1 FEAF Cc1cc(O)c(CO)c2c1C(=O)Oc1c(C)c3c(c(O)c1O2)C(=O)OC3 14653238 FXSNMBKDCKMTHJ-UHFFFAOYSA-N 358.302 2.202 0 1 FEAF biogenic CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O 45348111 PPBHCKHMCRVBPO-UHFFFAOYSA-N 356.407 2.200 0 1 FEAF O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CCCCC3)nc(Cl)nc21 84605080 FWCAXXBWEDQGJG-HNTFPEDGSA-N 363.849 2.137 0 1 FEAF Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(C[C@@H]2CC=CCC2)CC1 146754129 SBDYFIHZQFQZCK-OAHLLOKOSA-N 368.481 2.432 0 1 FEAF N#Cc1c([C@H]2C[C@@H]2C(=O)O)[nH]c(SCc2cccc(F)c2F)nc1=O 147423157 CGWUSHFJEIHQNC-IUCAKERBSA-N 363.345 2.400 0 1 FEAF Cc1ccc(NC(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)s1 473130127 KDLHZOUKCGKFBI-UHFFFAOYSA-N 370.481 2.222 0 1 FEAF COc1ccc2[nH]c(-c3ccc(NC(=O)COCC(=O)O)cc3)nc2c1 299836663 OHSITJSSZSHKCA-UHFFFAOYSA-N 355.350 2.278 0 1 FEAF CC(=O)Nc1sc(-c2ccc3c(O)nc(O)nc3n2)c(C)c1C(=O)O 587564079 YXPAGXMDHNGMIH-UHFFFAOYSA-N 360.351 2.130 0 1 FEAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C[C@H](N)C(=O)O)cc1)[C@@H](C2)C3=O 587434655 XVUHFCGZKYYEPN-QYWGDWMGSA-N 367.401 2.312 0 1 FEAF Cn1nc(-c2nc3ccc(I)cc3[nH]2)c(F)c1O 587155476 LLCMKGRJDLUOKM-UHFFFAOYSA-N 358.114 2.413 0 1 FEAF COc1cc(OC)nc([C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)n1 962571043 OIDNDXGEWHRWCL-ZMZPIMSZSA-N 359.426 2.477 0 1 FEAF CC1=C[C@H]2C(=O)c3nccc(I)c3C(=O)[C@H]2N=C1 1857548469 MWJXHAADDLCVPT-XCBNKYQSSA-N 352.131 2.081 0 1 FEAF CC(C)(NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1)C1=NCCO1 206700564 GZSCMPGTPLQSFM-UHFFFAOYSA-N 372.469 2.408 0 1 FEAF COc1cc2c[nH]nc2cc1-c1ccc(F)c2c(=N)c(C(N)=O)c[nH]c12 1857573531 RFCJOYPMBVRHBV-UHFFFAOYSA-N 351.341 2.437 0 1 FEAF CC(C)NC[C@@H](O)COc1ccc(CCS(=O)(=O)CC2CCC2)cc1 25967956 ZAOXCWMNIYUNPJ-GOSISDBHSA-N 369.527 2.182 0 1 FEAF CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@H]1c1ccc(F)c(Cl)c1 61958827 XPELCRQQVMFOPV-ZDUSSCGKSA-N 362.810 2.137 0 3 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@H]3[C@@H](O)[C@]12O 2356546118 ASPNSXLDAYXWRB-QHBMJHEPSA-N 364.438 2.038 0 1 FEAF O=C(NCc1ccco1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 61929072 PNHLSMGDWKZPCV-RRFJBIMHSA-N 374.418 2.003 0 3 FEAF NC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccco2)O3)c1 61925725 IDXYISZFHFSHMZ-QGZVFWFLSA-N 363.373 2.060 0 3 FEAF Cc1c(C(=O)N2CCC[C@](O)(CN(C)C)CC2)c2cc(O)ccc2n1C 72125246 YFLSBOLXOPBPEM-HXUWFJFHSA-N 359.470 2.111 0 1 FEAF COc1ccc(OC)c(CNC(=O)c2nnc(-c3ccccc3N)o2)c1 43122599 ANWCCOIQPJIQLQ-UHFFFAOYSA-N 354.366 2.266 0 1 FEAF aggregator O=C(O)[C@@H]1CSc2c(C3CC3)c(Cn3nnc4ccccc43)cc(=O)n21 84706053 WMBGRTJZUIQMFZ-AWEZNQCLSA-N 368.418 2.250 0 1 FEAF CC1(C)OC(N[C@@H](CCO)c2ccc(F)cc2)=NS(=O)(=O)C1(C)C 96273927 XDKNSGZTHSRAQZ-ZDUSSCGKSA-N 358.435 2.112 0 1 FEAF COC(=O)[C@@H]1COC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587833982 JLNVWFZUWQQCOP-KPCOEVGBSA-N 358.207 2.137 0 1 FEAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccnc(O)c2[nH]1 587204268 WYCADLRFJJLXGK-LBPRGKRZSA-N 356.338 2.106 0 1 FEAF C[C@@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)NCCc2nc3ccccn3c21 962989469 QIPSUVQWMRYASX-NRFANRHFSA-N 374.400 2.283 0 1 FEAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCC(=O)N1CC(F)(F)F 169304867 LHXQQXFPGCIQQI-HNNXBMFYSA-N 358.316 2.340 0 3 FEAF CC1(C)[C@@H](c2ccc(F)cc2)[C@H]1C(=O)NN1CCN(c2cnccn2)CC1 1857642332 QPQLSOMRFZEYKS-ROUUACIJSA-N 369.444 2.209 0 1 FEAF CCOc1ccc(NC(=O)Cn2c(=O)cc(C)c3c(C)nn(C)c32)cc1 6916201 VDCVSMRBJTYPOU-UHFFFAOYSA-N 354.410 2.389 0 1 FEAF COCCn1c(=O)n(Cc2cccc(F)c2F)c2cc(C(=O)O)ccc21 55060644 NCWYKMDDOMWUCO-UHFFFAOYSA-N 362.332 2.474 0 1 FEAF COC(=O)[C@]1(CO)C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]43 2356390821 DMLOCDNIVNQNJZ-FYKMYLNBSA-N 368.477 2.292 0 1 FEAF C[C@@H]1C(=O)[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@]2(O)C[C@@H](O)[C@H]1C3 2356419158 IZIVAPRKBMMUKE-GLKOTFFTSA-N 350.455 2.385 0 1 FEAF CC[C@@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@H]1O 2356781070 HQZUCSQUBHQEDH-VZGIWVRHSA-N 352.434 2.393 0 1 FEAF O=C(N[C@@H](CO)C(=O)OCc1ccccc1)c1cc2ccccc2cn1 71341032 DGQITISPUNIELT-SFHVURJKSA-N 350.374 2.069 0 1 FEAF COc1c(C)cnc(CN2c3nc(N)nc(Cl)c3NC(=O)[C@H]2C)c1C 43018910 UOUTZRIJTVPXFA-SECBINFHSA-N 362.821 2.080 0 1 FEAF Cc1noc2c1-c1sc(C)c(C)c1C(N1CCOCC1)=N[C@H]2CC(N)=O 96284470 VHKHJDTXFAZAMW-LBPRGKRZSA-N 374.466 2.337 0 1 FEAF O=S(=O)(N[C@H]1CC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1)C1CCCC1 473248381 NNAJGGSVCRUCIY-NEPJUHHUSA-N 374.470 2.104 0 1 FEAF Cn1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587581214 KXLGYVSGCLGLAV-BEFAXECRSA-N 366.329 2.067 0 1 FEAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2c1 586912281 VPMVRYUEYJZZJM-GFCCVEGCSA-N 365.455 2.450 0 1 FEAF O=C(NC[C@@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cn1 165887494 NVNZMKRZZZRATE-AWEZNQCLSA-N 366.421 2.396 0 1 FEAF Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)ccc2n1 148451775 QUKBZJDSZYLWLT-UHFFFAOYSA-N 374.448 2.069 0 1 FEAF CN(CCNC(=O)Cn1c(=O)oc2cc(Cl)ccc21)Cc1ccccc1 2927639 XLWOLIUZDURGKC-UHFFFAOYSA-N 373.840 2.496 0 1 FEAF CCN(C[C@H]1CCc2nc(N)nc(N)c2C1)c1cc(OC)ccc1OC 3814888 VAGYLFHVULQBKC-LBPRGKRZSA-N 357.458 2.290 0 1 FEAF Cc1nn(CC(=O)NCCCOC(C)C)c(=O)c2cc3cc(F)ccc3n12 6749924 CIDTXABROJVEJW-UHFFFAOYSA-N 374.416 2.028 0 1 FEAF CCc1nc2cccnc2n1-c1ccc(CC(=O)N2CCN(C)CC2)cc1 20559725 UUUJZWNTXUORAF-UHFFFAOYSA-N 363.465 2.299 0 1 FEAF CC(=O)OCC1=CC[C@H]([C@](C)(O)CC=C[C@](C)(O)COC(C)=O)CC1 2356779277 PWPSQCADOUKLOZ-GBESFXJTSA-N 354.443 2.287 0 1 FEAF CC[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(C(C)C)c2=O)N1 82207911 QUXMRYNIGKZXDT-CQSZACIVSA-N 372.425 2.105 0 1 FEAF COC(=O)c1ccccc1CNC(=S)[P@@](=O)(O)[C@@H](N)CC(C)C 49068953 PYDZRVWWMCCMCM-CYBMUJFWSA-N 358.400 2.449 0 1 FEAF C[C@@H]1C(=O)O[C@H]2[C@H]1C(=O)C[C@@H]1[C@]2(O)[C@@H](O)C[C@@H]2C(C)(C)CCC[C@@]12C 138545595 ZVUXDKNPHFTWRA-YIPYGXGYSA-N 350.455 2.081 0 1 FEAF NCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3)n2)C1 82081467 NDUUHHOXIMHCJY-CYBMUJFWSA-N 374.466 2.241 0 1 FEAF COc1ccccc1CN1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(C)=O)C2 95793977 MBSOMLPYCNTFBE-PZJWPPBQSA-N 366.461 2.256 0 1 FEAF COc1cc2c(c3occc13)C[C@H]1OC(=O)[C@]3(C)[C@H]1[C@@]21CC[C@@]3(O)OC1 473132698 UNPXGINTSIBWLZ-IZHFEEFNSA-N 356.374 2.296 0 1 FEAF COc1ccccc1CN1C[C@H]2OCCN(Cc3cccnc3)C[C@@H]2C1 299842530 HURMTQPNZWGAHW-TZIWHRDSSA-N 353.466 2.423 0 1 FEAF CCOc1n[nH]c(-c2nc3c(S)nc(S)nc3[nH]2)c1Br 586980055 OEAQSSSSADBJQO-UHFFFAOYSA-N 373.261 2.482 0 1 FEAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(CC(=O)O)C(=O)C1)CC2=O 587478486 SIYOPMPABIYMKC-IBGZPJMESA-N 359.378 2.269 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(C(=O)O)N1 587825767 FFOZZWNWIJBJDM-NXSYQRQQSA-N 360.179 2.267 0 1 FEAF COc1cc2c3c(c1)O[C@@](c1ccc(O)c(OC)c1)([C@@H](C)O)[C@@H](C2)C3=O 587445032 YVVGXOYKIBBVSK-UHMLPPNMSA-N 356.374 2.433 0 1 FEAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccnc(N)c4[nH]3)CC2)cc1 586954310 GSSPZPLSZFAGOZ-UHFFFAOYSA-N 371.466 2.417 0 1 FEAF CN1CCN(c2ccc3nc(-c4cccc(N)c4C(=O)O)[nH]c3c2)CC1 587249859 LDSJRGVYMUQVSS-UHFFFAOYSA-N 351.410 2.262 0 1 FEAF CC1(C)C[C@@](O)(c2cncc(-c3cnc4c(c3)CCN4C(N)=O)c2)CCO1 1772653166 IRQXPMLQSHNHOR-HXUWFJFHSA-N 368.437 2.361 0 1 FEAF COc1ccc([C@@H](O)[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O 13652374 GNUFQAYMLAQRQN-IAGOWNOFSA-N 350.367 2.194 0 1 FEAF COc1cccc(OCC(=O)NCC(=O)N[C@H]2CCCc3ccccc32)c1 200150473 FEWKYLIQAFEHAS-IBGZPJMESA-N 368.433 2.384 0 1 FEAF Cc1ccc(CS(=O)(=O)CCC(=O)NCCN2CCCC[C@@H]2C)cc1 2940971 WITOATZYVYREAE-KRWDZBQOSA-N 366.527 2.291 0 3 FEAF CC[C@@H](C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl)S(C)(=O)=O 26499210 ZWDGGSGOTCJLRP-VIFPVBQESA-N 369.222 2.463 0 1 FEAF O=C(O)CCC(=O)Nc1nc(O)c(Br)c(-c2ccccc2)n1 29316641 CJSSBIOWOQQZQC-UHFFFAOYSA-N 366.171 2.415 0 1 FEAF CN1CCN(CCOc2ccc(-c3cccc(N)n3)c3c2CCC3)CC1 22931066 AARJQDPYTYPQGF-UHFFFAOYSA-N 352.482 2.446 0 1 FEAF C/C=C1\[C@H]2C[C@H]3[C@@H]4Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O 100198730 DRMGJVPVCAJMDJ-GSWMXACWSA-N 352.434 2.021 0 1 FEAF in-vitro CC(C)(C)OC(=O)[C@@H]1N2C(=O)/C(=C\c3ccccc3)[C@H]2[S@@](=O)C1(C)C 29318194 WRLHHMUZLJLBPE-OABZQCHLSA-N 361.463 2.490 0 1 FEAF O[C@@H]1c2ccccc2C[C@H]1N1CCN(c2cccc3c2OCCO3)CC1 29465299 BFXGASGIXHYIDV-UYAOXDASSA-N 352.434 2.238 0 1 FEAF COc1ccc(C=Cc2ccc3c(c2)C(=O)N2CC[C@H](N)[C@H]2C(=O)N3)cc1 2356851068 QDXPXKLBFDHUCR-HKUYNNGSSA-N 363.417 2.360 0 1 FEAF OC[C@H]1O[C@H](n2cnc3cc4cc(Cl)c(Cl)cc4cc32)[C@H](O)[C@@H]1O 49017603 HEBAESRDPFMSOL-FPCVCCKLSA-N 369.204 2.108 0 1 FEAF Cc1ccc([C@H]2SCC(=O)N2Nc2ccc(S(N)(=O)=O)cc2)cc1 84731400 QMKYHZIVDAMYDU-MRXNPFEDSA-N 363.464 2.244 0 1 FEAF N[C@H]1C[C@@H](N2Cc3nn4cccnc4c3C2)CO[C@@H]1c1cc(F)ccc1F 146679122 CEOQJSZJQDMDFU-PZPSRYQVSA-N 371.391 2.181 0 1 FEAF in-vitro C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 95675519 PHXITHQOKRDDQC-KLIQENQMSA-N 374.481 2.079 0 1 FEAF Cc1c(C(=O)c2c(CO)oc3cc(Br)cnc23)cnn1C 587275624 FHVLHUVZWQAIBU-UHFFFAOYSA-N 350.172 2.356 0 1 FEAF Nc1ncc(Cl)nc1-c1nc2cc(I)cnc2[nH]1 587088507 YNEVMYUQXWIJNF-UHFFFAOYSA-N 372.557 2.255 0 1 FEAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587071084 VVZUZDMRAWMLHE-NSHDSACASA-N 364.858 2.149 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccn(C)c1=O 587869138 CKOJLWDQTZROIZ-UHFFFAOYSA-N 351.288 2.055 0 1 FEAF O=S(=O)(C[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)C1CC1 1772588417 OIAKNFJQEKGEQJ-HAQNSBGRSA-N 359.455 2.457 0 1 FEAF O=C(NCC1(O)CCC(F)(F)CC1)c1cc(=O)c2cc(F)cc(O)c2o1 1772575451 YZVSESDVIAQNJI-UHFFFAOYSA-N 371.311 2.308 0 1 FEAF CN(CC(=O)N1CCO[C@H](Cc2cccc(F)c2)C1)Cc1ccccn1 12447904 ARHPPWVPXTXBID-LJQANCHMSA-N 357.429 2.123 0 1 FEAF NC(=O)Cn1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 13737507 NEMFJZVRNTYKEF-HNAYVOBHSA-N 366.446 2.108 0 1 FEAF O=C(O)[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1ccccc1 13807269 KENABUKLZKAHBP-CVEARBPZSA-N 356.426 2.484 0 1 FEAF NS(=O)(=O)c1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 13835310 TVQMMLNAXSUSHT-UHFFFAOYSA-N 366.267 2.282 0 1 FEAF C[C@H](O)CS[C@@H]1CC(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O 169316356 JSZMATWNNJCEPE-GOIKXWQPSA-N 372.527 2.279 0 1 FEAF Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N(C)C1CCCCC1 3620280 WFYXNLMCVUKMLN-UHFFFAOYSA-N 369.465 2.217 0 3 FEAF COc1nccc2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nn12 103195580 UWQILJCIXQGFHV-UHFFFAOYSA-N 374.209 2.241 0 1 FEAF COC(=O)c1scc2[nH]c([S@](=O)Cc3cc(OC)ccn3)nc12 27517520 VWHFVVXDEBXKIF-QHCPKHFHSA-N 351.409 2.122 0 1 FEAF COc1ccc(CCc2noc3cc(OCC(=O)O)cc(O)c23)cc1O 27430403 PPLLNQPIAOTAGY-UHFFFAOYSA-N 359.334 2.496 0 1 FEAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(=O)O 118074649 PCPTUYGTADXVFI-SDQBBNPISA-N 357.341 2.078 0 1 FEAF CNC(=O)c1ccc2c(c1)OCCn1cc(-c3ncnn3C(C)C)nc1-2 96269673 NHCSOUAODWJXJW-UHFFFAOYSA-N 352.398 2.142 0 1 FEAF CCCN([C@@H]1COc2cccc(OC)c2C1)N1C(=O)[C@H]2CCC[C@@H]2C1=O 253634585 GMZUEVUOVVLGAB-KKUMJFAQSA-N 358.438 2.411 0 1 FEAF COCCNC(=O)Nc1cc2[nH]nc(-c3ccc4nn(C)cc4c3)c2cn1 261180187 VXYFQYLJVJWTLY-UHFFFAOYSA-N 365.397 2.280 0 1 FEAF COC(=O)Nc1nc2nc(C(=O)c3ccc(OC)c(OC)c3)ccc2[nH]1 299867254 QAEDMDMDBVVGSC-UHFFFAOYSA-N 356.338 2.384 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]1[C@@H]3CN[C@H]1C(=O)O 586989652 NWYIBVCSGBJFEI-JOOBJXAISA-N 372.380 2.464 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 587230013 DQGZFBMGTRDAHX-MNOVXSKESA-N 357.414 2.181 0 1 FEAF CCCC[C@H](CN(O)C=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)C 13537043 GDGSZLJBTFHRBQ-SJORKVTESA-N 369.506 2.184 0 1 FEAF CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccccn1)C(C)(C)C 13588280 NGFKLEMUGMVHAI-RHSMWYFYSA-N 363.458 2.449 0 1 FEAF COc1cccc(CCN2C=N[C@@H]3C(=O)NC(Cc4ccccc4)=N[C@@H]32)c1 1857548083 VDGBXWCKYAESKO-VQTJNVASSA-N 362.433 2.047 0 1 FEAF COc1ccc(C(=O)C2=NO[N@@]3O[C@@]23C(=O)c2ccc(OC)cc2)cc1 1857624285 FVQGMXXUZFHDKN-UYAOXDASSA-N 354.318 2.014 0 1 FEAF COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)O)c(C)n3n2)c1 4435547 KSDGMJJKHFAFDY-UHFFFAOYSA-N 356.382 2.443 0 3 FEAF COC(=O)Cn1ncc(N2[C@@H]3C[C@H](CC(C)(C)C3)[C@H]2C)c(Cl)c1=O 101947733 XGBLREWZNDNQQS-IJLUTSLNSA-N 353.850 2.473 0 1 FEAF CNc1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1 115622257 JSVCPOKUMONNIG-CQSZACIVSA-N 351.410 2.238 0 1 FEAF Cc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1cccc(F)c1 103230923 BHUCOKRFLNIIRI-UHFFFAOYSA-N 359.382 2.377 0 1 FEAF CC1=C(CCC2=C[C@H](O)OC2=O)[C@]2(C)CCC[C@]3(C)C(=O)O[C@@H](C1=O)[C@@H]32 14499559 ODXDQNDOZZLJEE-OPLZCHAUSA-N 360.406 2.206 0 1 FEAF biogenic O=C([C@H]1C[C@H](Cc2cccc(F)c2)CN1)N1CCCN(C2CCC2)CC1 49089498 QSJOFQBHXFPOPW-FXAWDEMLSA-N 359.489 2.433 0 1 FEAF CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)OC)cc3)c2n1 49069492 UKOLIXAYPSHBHG-UHFFFAOYSA-N 371.397 2.128 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O 82220225 INOVOIWPFWKELS-CCOQFQHCSA-N 366.502 2.016 0 1 FEAF C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)CC)[C@H]2CNC(=O)C2CC2)cc1 95895230 LDIOELSZPYZCLS-ZNMHKFRLSA-N 356.466 2.311 0 1 FEAF COc1nc(-c2ccc3nonc3c2)nc(=NCCc2ccc(F)cc2)[nH]1 473162902 WWHSLNLYXZELGH-UHFFFAOYSA-N 366.356 2.299 0 1 FEAF COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1OC 653861814 PPRDPDLXCTXSPB-AWEZNQCLSA-N 365.455 2.001 0 1 FEAF CN(C)S(=O)(=O)c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)o1 586930364 CASZWNWRJBOZRU-UHFFFAOYSA-N 360.317 2.487 0 1 FEAF C=CN1CC[C@H]([C@@]2(c3cnccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587397301 ZOSCVLSDJGLQBS-VBKZILBWSA-N 364.405 2.220 0 1 FEAF N[C@@H](Cc1cccc(Br)c1)c1nc2c(O)nc(S)nc2[nH]1 586984854 VNDHROPLYRCCQJ-QMMMGPOBSA-N 366.244 2.352 0 1 FEAF Cc1ccc(S(=O)(=O)N2CC3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1 587408697 HZXKEBYQTQHUCI-UHFFFAOYSA-N 372.446 2.294 0 1 FEAF OCCn1cc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cn1 222109706 FFXYYAZYNXBZOD-UHFFFAOYSA-N 371.404 2.279 0 1 FEAF O=c1/c(=C\c2ccc(Cl)cc2)sc2n1CN(c1ccccc1)CN=2 34793327 WSKJUIVFIZNBBD-MHWRWJLKSA-N 355.850 2.447 0 1 FEAF CS(=O)(=O)NCc1nnc(SCc2ccccc2C(F)(F)F)o1 1337647 QPJZABZAAUOASL-UHFFFAOYSA-N 367.374 2.430 0 3 FEAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@H]([C@@H](O)CCCCCC[C@@H](O)CC(=O)O)C=CN21 2356363694 LTVJDZIDZGZAIH-UPGMHYFXSA-N 369.502 2.271 0 1 FEAF CNC(=O)Cn1ncc2c(C)n(Cc3ccc(Cl)cc3)c(C)c2c1=O 6807922 UQOQOJMJFONSMW-UHFFFAOYSA-N 358.829 2.263 0 1 FEAF Cc1cc(C)n2nc(S(=O)(=O)Nc3cccc4cnccc34)nc2n1 103286346 FUAFTGCVLBETOQ-UHFFFAOYSA-N 354.395 2.090 0 1 FEAF CC(C)C[C@H](CN)CC(=O)OCCCOC(=O)C[C@H](CN)CC(C)C 26567045 MRJCBCVAZKTWCR-CALCHBBNSA-N 358.523 2.485 0 1 FEAF CCN(C)C(C)(C)c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1 28644784 UUUUQRKSNGUFAX-UHFFFAOYSA-N 362.405 2.144 0 1 FEAF O=C1COc2c(cc(O)cc2[C@@H](O)CNCCCCc2ccccc2)N1 1911578823 PZNRXUMAERXXLO-SFHVURJKSA-N 356.422 2.369 0 1 FEAF CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2C)S1(=O)=O 49034569 HSMMZWQHSZFBQK-OAHLLOKOSA-N 361.467 2.168 0 1 FEAF CCc1cc(NC[C@H](O)CO)nc(-c2ccc(Br)c(F)c2)n1 84672448 KSAQSTZDZQPHSX-NSHDSACASA-N 370.222 2.373 0 1 FEAF Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NCCO)cn1 141433906 BPGDOEYDECIKSW-UHFFFAOYSA-N 352.394 2.379 0 1 FEAF COc1ccc(N2C(=O)[C@H]3C[C@@H](NC(=O)C4CCCC4)CCN3C2=O)cc1 25197498 MWELBUMJDKWCQE-WMLDXEAASA-N 371.437 2.301 0 1 FEAF biogenic Cc1noc(-c2cnn3c2n[n+]([O-])c2ccc(OCc4ccccc4)cc23)n1 95603544 VSIIYAKKSCLHLZ-UHFFFAOYSA-N 374.360 2.453 0 1 FEAF CC(C)[C@]1(O)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@H]1O 95586425 WGJYYARKNLFWSA-YDEBIOCVSA-N 352.471 2.343 0 1 FEAF CCOC(=O)Cn1ncc2c(Nc3ccc(NC(C)=O)cc3)ncnc21 96914186 MWVYRUWADNSXJJ-UHFFFAOYSA-N 354.370 2.091 0 1 FEAF COc1ccc(NC(=O)CNc2nc(O)c3cnn(C(C)C)c3n2)cc1 299825113 WNXOVJLOZURJDQ-UHFFFAOYSA-N 356.386 2.172 0 1 FEAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2CCSC[C@H]2C1 299808141 OLAQPXPMIQWQCE-GHMZBOCLSA-N 355.891 2.240 0 1 FEAF N=c1[nH]cc2nc(/C=C\c3cc4c(cc3Br)OCO4)nc-2[nH]1 586999363 YHVLWVQMTZUMCP-UPHRSURJSA-N 360.171 2.379 0 1 FEAF CN(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)S(=O)(=O)c1cccnc1 586929655 ZZKLFSLSZDLFHO-UHFFFAOYSA-N 371.344 2.192 0 1 FEAF COc1ncnc(N)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573464 BYDXTRUYHOPHTC-CXAGYDPISA-N 365.345 2.476 0 1 FEAF CCOC(=O)c1sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)nc1C 13153683 KQSYOBQZSYZSAI-ZDCRXTMVSA-N 350.396 2.090 0 1 FEAF Cc1nc(C2CCOCC2)c2c(N3CCc4ncccc4C3)ncnn12 169711726 ZDBBZYINGXIHSY-UHFFFAOYSA-N 350.426 2.284 0 1 FEAF COc1cccc(CCOc2cc(N3CCOCC3)sc2C(N)=O)c1 1857646867 UZCLSGAREHSOHI-UHFFFAOYSA-N 362.451 2.314 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)O[C@@]3(O)C[C@H]12 2356400730 IJGXECQJMLLVLT-BWZIJETOSA-N 364.438 2.243 0 1 FEAF O=C(NC[C@@H]1OC[C@H](N(CC2CC2)CC2CC2)[C@@H]1O)Nc1ccccc1 2356421070 YHPJWUVQIVSXEO-FHWLQOOXSA-N 359.470 2.058 0 1 FEAF CCOC(=O)c1sc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)nc1C 101703822 KQSYOBQZSYZSAI-ZNSHCXBVSA-N 350.396 2.090 0 1 FEAF CC[C@@H]1/C(=C/c2ccccc2)[n+]2cccc(OCC(=O)O)c2[C-]1CC(N)=O 53651130 HDGXQJQHWWUPNC-ZCQLHAAUSA-N 366.417 2.273 0 1 FEAF CCC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)ccc32)CC1 64573951 YDLVCTMUPUAPOH-UHFFFAOYSA-N 361.461 2.486 0 1 FEAF COc1ccc(CCNC[C@H](O)C(=O)Oc2ccccc2C)cc1OC 25971090 QRHJQXLPEOKPSF-INIZCTEOSA-N 359.422 2.111 0 1 FEAF Cc1nc2ccc(CSC(=S)NCCCN(C)C)cc2c(=O)[nH]1 28333899 UOVCGZCZEULYHA-UHFFFAOYSA-N 350.513 2.291 0 1 FEAF CC(=O)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(CCO)C1=O 26157392 ORKVWPMCEGNPCS-GOSISDBHSA-N 372.808 2.406 0 1 FEAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C\C(=O)O1 64492147 ZZWKZQDOSJAGGF-OGRLDUFMSA-N 365.470 2.075 0 1 FEAF CC(=O)N1C=C([C@@H]2[C@H]3C[C@@H](CN4CC[C@H](O)C[C@@H]34)[C@H]3CCCCN23)CCC1 2356544321 KXTMZZFZSKVPPU-KNPYFFGGSA-N 373.541 2.211 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C/C(C)=C/C[C@H](O)[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]21 213208088 OALKRCUXSIESFZ-DDTZWSDGSA-N 364.438 2.301 0 1 FEAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)CCN2 82204741 OKQHXBSMPXUCGF-UHFFFAOYSA-N 360.433 2.471 0 1 FEAF CCC(=O)Nc1cc(N2CCC[C@@H]2COC)nc(-n2nc(C)cc2C)n1 40892228 SIFGOPVTYSLYLX-CQSZACIVSA-N 358.446 2.243 0 1 FEAF CCSCCn1c(=O)n(CC)c(=O)c2[nH]c(Cc3ccccc3)nc21 45358200 NRNCUVZSEGKSNP-UHFFFAOYSA-N 358.467 2.250 0 1 FEAF C=CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 621477463 LTPRGILJEOFMFS-LBPRGKRZSA-N 358.847 2.016 0 1 FEAF COC(=O)CN1C(=O)/C(=C\c2ccc(O)cc2)N(Cc2ccccc2)C1=O 473145968 BYHJNPFJJJTQNY-GZTJUZNOSA-N 366.373 2.371 0 1 FEAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(O)cccc3[nH]2)cc1 586945954 DHVDFIKFYONDSK-ZDUSSCGKSA-N 373.434 2.393 0 1 FEAF CN(Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)S(=O)(=O)c1cccnc1 586928484 CWLWQAFHIVNNJO-UHFFFAOYSA-N 374.319 2.335 0 1 FEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cnc(C(F)(F)F)[nH]c-2n1 587226403 ZCJODPSGXBVZSL-SECBINFHSA-N 365.315 2.407 0 1 FEAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(O)nc(O)nc2[nH]1 587042406 JITJEKRNWQIGOX-MRVPVSSYSA-N 363.786 2.073 0 1 FEAF COc1ccc(-c2nc3c(O)ncnc3[nH]2)c(I)c1 587179645 DXRWNORWRXLGGY-UHFFFAOYSA-N 368.134 2.339 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OC(=O)C2)N1 587828862 ANHFESZZEOBBPY-NZFNHWASSA-N 370.174 2.233 0 1 FEAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cnccc2[nH]1 586965728 WPMCQRQVUZHGEL-UHFFFAOYSA-N 354.443 2.415 0 1 FEAF C=CN1CC[C@@H]([C@]2(c3cnccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587397302 ZOSCVLSDJGLQBS-VLIAUNLRSA-N 364.405 2.220 0 1 FEAF COC(=O)Cn1cc([C@@H]2c3nn(C)cc3CCN2C)c(-c2ccccc2)n1 963953641 BOYYPRVPIMSASG-HXUWFJFHSA-N 365.437 2.034 0 1 FEAF NC(=O)COc1ccc([C@H]2NCCc3c(C(=O)O)cccc32)cc1Cl 963136053 XKPLSHLNCBNVMH-QGZVFWFLSA-N 360.797 2.137 0 1 FEAF COC(=O)Nc1n[nH]c2cc(NC(=O)NCc3ccccc3OC)ncc12 1772597067 DEIIBPSTXDFTBD-UHFFFAOYSA-N 370.369 2.467 0 1 FEAF C[C@H]1CCC/C=C\[C@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C/C(=O)O1 169366692 ZZWKZQDOSJAGGF-CVIBRLGLSA-N 365.470 2.075 0 1 FEAF CC(C)Cc1ccc([C@H](C)C(=O)OC[C@H](O)[C@@H]2OC(=O)C(O)=C2O)cc1 168473689 ZQTNXXZZAJDJNM-YLVFBTJISA-N 364.394 2.146 0 1 FEAF COC(=O)[C@@H](C[C@@H](OC)c1c(OC)cc(O)c2c(=O)cc(C)oc12)OC 1857573269 BKVHVYLMRZGKDR-ZIAGYGMSSA-N 366.366 2.081 0 1 FEAF CCNC(=O)[C@H]1CCCN(Cc2noc(-c3ccccc3OC)n2)CC1 1857596655 QOEJCYSVVSTXEO-AWEZNQCLSA-N 358.442 2.483 0 1 FEAF CN(CCO)C(=O)c1ccc(Cc2onc3c2C(=O)CC(C)(C)C3)cc1 1857643613 AGFUOHPWGNSICN-UHFFFAOYSA-N 356.422 2.485 0 1 FEAF CC1(C)Oc2ccc([C@H]3COc4cc(O)cc(O)c4C3=O)c(O)c2C[C@H]1O 2356414529 YACZUBKNMXSTQK-MLGOLLRUSA-N 372.373 2.237 0 1 FEAF COc1cc2c(cc1O)OC[C@@H](c1cc(O)c(OC)c(OC)c1O)[C@H]2O 2356459415 KUHHMUVZOXYVFV-BONVTDFDSA-N 364.350 2.039 0 1 FEAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@@H]3CCC[C@H]4[C@H](O)C(C(=O)O)=C(C1)[C@@]342 2356370241 NZESTHCXDKJCAK-NJMRJFFHSA-N 371.481 2.318 0 1 FEAF CN(C)CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 7005395 GXZYLXNMACKTRY-UHFFFAOYSA-N 369.390 2.262 0 1 FEAF O=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)c2ccccc2)nn1 28524400 CIOZSHPCPJZSOS-UHFFFAOYSA-N 360.416 2.142 0 1 FEAF O=C1Cc2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc2N1 68204775 LOGHPHAPMZWOCA-UHFFFAOYSA-N 352.321 2.382 0 1 FEAF CCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F 115219023 DMUCACNEVTYOKF-UHFFFAOYSA-N 366.349 2.229 0 1 FEAF Nc1ncccc1C(=O)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 84651883 ZYTHRQIDZFTPKA-SFHVURJKSA-N 359.433 2.441 0 1 FEAF CCCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)NC(C)C 95895689 CACWLYYLTOIJRH-CEXWTWQISA-N 361.486 2.192 0 1 FEAF C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)C[C@H](C)CO)C1 238765581 TZWLJFAUVXXQDV-RYLZYTMJSA-N 366.454 2.143 0 1 FEAF biogenic O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3c1OCO3)[C@H]2O 85953907 SAALZFZQLFTOGM-MAUKXSAKSA-N 366.325 2.176 0 1 FEAF biogenic COc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1C 586959286 PZALMNOBKYJGPL-KRWDZBQOSA-N 361.423 2.349 0 1 FEAF CNS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587448282 HWNLRBWHFQDGHA-DNVCBOLYSA-N 373.430 2.266 0 1 FEAF Cn1ncc([C@]2(C)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)n1 963180076 GBOPWDZLUDYZNA-BXUZGUMPSA-N 374.750 2.350 0 1 FEAF Cc1ncc(Cn2cc(COC(=O)c3ccccc3Cl)nn2)c(N)n1 143697348 OZDWKIFWIISWIM-UHFFFAOYSA-N 358.789 2.017 0 1 FEAF C[C@H]1CCC/C=C\[C@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C\C(=O)O1 169366691 ZZWKZQDOSJAGGF-ZLPCLYEPSA-N 365.470 2.075 0 1 FEAF N=C(N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCCO 1857535270 DCWNOVSCIBWXOW-UHFFFAOYSA-N 351.410 2.344 0 1 FEAF O=c1[nH]c2ccc(S(=O)(=O)NCCOc3ccccc3F)cc2s1 4875748 VCQYNRWGPHXHEN-UHFFFAOYSA-N 368.411 2.086 0 1 FEAF Cc1nn(CC(=O)N2CCCCC2)c(=O)c2nn(-c3ccccc3)c(C)c12 6943823 GQYYHXAOMGBBIT-UHFFFAOYSA-N 365.437 2.212 0 3 FEAF OCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F 28643557 YUMBGXUGCCELGX-UHFFFAOYSA-N 364.384 2.480 0 1 FEAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2c(C)noc2C)CC[C@@]1(C)O 2356477263 YXVWHFODCHPPMT-XUVXKRRUSA-N 357.454 2.494 0 1 FEAF C[C@H](O)[C@@H]1C[C@H](O)[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 2356668068 CCDBNJFEAVSCGU-YQWGCBTKSA-N 350.499 2.249 0 1 FEAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]23C(=O)O[C@@](C)(O)[C@H]2CC[C@@]13O 2356731841 FFZQIXTWKFKKBC-HRRPRRHSSA-N 364.482 2.367 0 1 FEAF COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCc4ccco4)CO[C@@H]23)cc1 2356859054 SQMHTEDCPFUQSJ-MLHJIOFPSA-N 374.393 2.161 0 1 FEAF O=C(O[C@H]1CCN2C[C@H]3C[C@H](C(=O)N4CCCC[C@H]34)[C@@H]2C1)c1ccc[nH]1 34773595 DDQYUQPEQYHDHG-WBOSRHFRSA-N 357.454 2.035 0 1 FEAF Cn1c(NC(=O)c2ccc3cc4n(c3n2)CCCNC4=O)nc2ccccc21 147166471 UFFQKOHHXSMIRW-UHFFFAOYSA-N 374.404 2.309 0 1 FEAF CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@@H]1CC(=O)NCCO 25428048 PROXDUGAXYIWMM-HUUCEWRRSA-N 363.458 2.074 0 1 FEAF biogenic CCSc1ccccc1C(=O)N(C)C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1 618013984 GOSHFYQLAPWQME-UNEWFSDZSA-N 361.511 2.475 0 1 FEAF OCCNc1ccc2nnnc(Nc3cccc(OC(F)(F)F)c3)c2n1 653713003 FEORYXHUFPDGRC-UHFFFAOYSA-N 366.303 2.466 0 1 FEAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cncnc4[nH]3)CC2)cc1 586955325 VXJDXPZMMOZJLK-UHFFFAOYSA-N 357.439 2.230 0 1 FEAF Cc1nnc2sc(C(=O)NC3CN(c4cncc(F)c4)C3)c(N)c2c1C 1772613154 NTSGKVHAEUVGFX-UHFFFAOYSA-N 372.429 2.043 0 1 FEAF COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@@H](O)[C@@H]2O)cc1OC 14436096 VDDYRAREFDERAS-IXDOHACOSA-N 362.378 2.249 0 1 FEAF Cc1nc([C@@H]2CCOC2)c2c(N3CCc4noc(C5CC5)c4C3)ncnn12 169711808 DPACQUUZKODHSM-CYBMUJFWSA-N 366.425 2.365 0 1 FEAF O=C(NCC1CC1)c1cccc(C2(CNCCCN3CCOCC3)CC2)c1 1857591000 SGPYWTWUTXVTRA-UHFFFAOYSA-N 371.525 2.170 0 1 FEAF N[C@H]1C[C@H]2CCCc3c(c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c34)N2C1 113151270 WSSQECFOHWIOCC-CMPLNLGQSA-N 371.412 2.416 0 1 FEAF C[C@]12C(=CC[C@]34COC(=O)C3=CCC[C@@H]41)C(=O)O[C@@H](c1ccoc1)[C@H]2O 2356417621 GYLOEZJWLQFGKI-VKSPVCMPSA-N 356.374 2.454 0 1 FEAF CCc1nnc(NC(=O)Cn2ncc3c4ccccc4nc-3c2O)s1 103535935 AHFJZJQDWTZJJT-UHFFFAOYSA-N 354.395 2.294 0 1 FEAF O=C(/C=C/c1ccccc1)Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1 103198191 HBYGLMGQXJPSQP-KXKDPZRNSA-N 352.415 2.221 0 1 FEAF C[C@]1(C(=O)NCC2CC2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61930885 MSRALVRCTZHUDY-HXUWFJFHSA-N 351.406 2.067 0 3 FEAF COc1c(C=O)c2cc(Cl)c(Cl)cc2n1[C@H]1C[C@H](O)[C@@H](CO)O1 28462122 OJIJWBMRFFMJHQ-BFHYXJOUSA-N 360.193 2.410 0 1 FEAF Cc1c2c(=O)n(CCc3ccccc3)[nH]c2cc(=O)n1Cc1ccccn1 64448041 IDMMWOMTIJWNPH-UHFFFAOYSA-N 360.417 2.486 0 1 FEAF Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CC(O)C3)cc2F)cn1 224805067 AINQMQNKDBPTCD-UHFFFAOYSA-N 364.380 2.349 0 1 FEAF CN(C)C[C@H]1CN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)CCO1 224891949 KPOYYDYAIZZVSV-INIZCTEOSA-N 362.437 2.263 0 1 FEAF Cn1cc([C@H](NC(=O)CCc2c[nH]c3ccccc23)C2CC(O)C2)cn1 230469765 AWFHLXFUULUUFB-QJXPYNDKSA-N 352.438 2.462 0 1 FEAF C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCCO)CC(=O)O1 299809706 OCLUEPVAZDCMEC-SGNPGRMLSA-N 372.527 2.281 0 1 FEAF O=C1C[C@@]23CCN(CC4CC4)[C@H]4C[C@H](O)[C@H]1C[C@]42Cc1ccc(O)cc13 254132278 LOXFETCCXNYJIL-PZMMLYQQSA-N 353.462 2.401 0 1 FEAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)cc1 587786519 RBNPQQTYXWPFJD-UONOGXRCSA-N 371.418 2.154 0 1 FEAF CC[C@H](c1nc2cnncc2[nH]1)n1cc(I)c(C)n1 587184041 BCKRVBGTQBGWJG-LLVKDONJSA-N 368.182 2.462 0 1 FEAF CCCS(=O)(=O)N1CCC(c2nc3cccc(C(=O)OC)c3[nH]2)CC1 586952659 KTIXBNQUFVNGIE-UHFFFAOYSA-N 365.455 2.269 0 1 FEAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(N)c(N)cc3[nH]2)cc1 587228849 SFHSQNXQKZEDDX-UHFFFAOYSA-N 368.397 2.226 0 1 FEAF CC(C)(C)OC(=O)N1C[C@@H]2c3cc4c(O)nc(O)nc4nc3CC[C@H]2C1 587558960 VNMVAJWMVLIATC-CABZTGNLSA-N 358.398 2.333 0 1 FEAF NCc1cc(Oc2cccc(C(=O)N[C@@H](CO)c3ccccc3)c2)ncn1 1857549912 XTUTWKODJFCRAJ-SFHVURJKSA-N 364.405 2.191 0 1 FEAF CCCC(=O)OCSc1ccccc1C(=O)N(C)CC(=O)N(C)C 1857551362 WUIYNLNZLHCCAR-UHFFFAOYSA-N 352.456 2.240 0 1 FEAF COCCN1Cc2cccc(C(=O)NCc3ccccc3OC)c2C1=O 4110667 QOQKLLKNVIJYAX-UHFFFAOYSA-N 354.406 2.227 0 3 FEAF COc1cccc(N(CC(=O)NC(C)(C)C)C(=O)[C@@H]2CSC(=O)C2)c1 4898559 DSZPMBQDJQGLIJ-LBPRGKRZSA-N 364.467 2.223 0 3 FEAF C[C@]1(C(=O)O)[C@H](O)CC[C@]2(C)[C@H]1CCC1=C[C@H]3C[C@@]12CC[C@]3(O)CO 2356492745 BUHBLMJCWYBYOC-XGRAKDAMSA-N 350.455 2.098 0 1 FEAF Nc1nc(-c2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O)cc(C2CCCCC2)n1 72109020 NMLLDEVPZUKFBQ-OALUTQOASA-N 370.453 2.021 0 1 FEAF CNC(=N)N1C=CC[C@@]23[C@H]4CC[C@@](C)(CC[C@@H]12)[C@]31C[C@H](O)C(C(=O)O)=C1C4 2356769256 ZPRPKJYNUBYLDB-WJPBVXDASA-N 371.481 2.461 0 1 FEAF O=C(O)CCC/C=C\C[C@@H](O)/C=C/[C@@H](O)[C@H](O)C/C=C\CCCCCO 223074169 ZPPVESFLJWNSHL-SMGXPFRQSA-N 370.486 2.326 0 1 FEAF in-vitro COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)nc1)[C@@H](C2)C3=O 587442254 IAKHMMWOIKEYSY-YWZLYKJASA-N 352.390 2.416 0 1 FEAF CCc1nn(CC(=O)N(C)Cc2ccccc2)c(=O)c2cc3occc3n12 5149309 MBBNLRMLFQAGHI-UHFFFAOYSA-N 364.405 2.463 0 1 FEAF CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(C)s1 13153253 JMSMAPVNUUZKDR-XSWJXKHESA-N 368.451 2.223 0 1 FEAF OC[C@H](O)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 169343334 WIAUXGITORCDBB-HNNXBMFYSA-N 372.787 2.437 0 1 FEAF CNC[C@H]1C=CN(C(=N)NC)C[C@@]12[C@@H]1CC[C@@H](C)[C@]23CCC(C(=O)O)=C3C1 103524934 JPVNSRMWLRYAAZ-HRSKUXEDSA-N 372.513 2.403 0 1 FEAF biogenic,in-vitro CC(C)(C)CC(=O)N1CCN(N2CCN(C(=O)CC(C)(C)C)CC2)CC1 58554425 FYVFHGLLTSUYQA-UHFFFAOYSA-N 366.550 2.062 0 1 FEAF Cc1nc(CSc2nc(N[C@H](C)CO)c3sc(=O)[nH]c3n2)cs1 29128994 KFHSDCXNOPXKDP-ZCFIWIBFSA-N 369.497 2.230 0 1 FEAF NCc1ccc(NC(=O)c2cc(NC(=O)c3ccc(CN)cc3)c[nH]2)cc1 27628324 MAALSYZYCFNPLE-UHFFFAOYSA-N 363.421 2.437 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@H]3[C@@H](O)[C@@]12O 2356546120 ASPNSXLDAYXWRB-YDXIFLSHSA-N 364.438 2.038 0 1 FEAF CN(CCCCCC/C=C(\NC(=O)[C@@H]1CC1(C)C)C(=O)O)CC(=O)O 26027271 DDVPHXDORQEQPV-GFAPJHNFSA-N 354.447 2.084 0 1 FEAF CCOC(=O)N(C)c1ccc(NC(=S)NCc2nc(C)cnc2N)cc1 71295726 UVFQIUDUJVJHRR-UHFFFAOYSA-N 374.470 2.447 0 1 FEAF O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 73138967 GDWXQKUFPSBOHH-UHFFFAOYSA-N 353.350 2.295 0 1 FEAF C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C)c1cccs1 212565202 KQHHKTZYHOXLAB-NEULZYRMSA-N 358.467 2.133 0 1 FEAF C[C@]12CCCC(CO)(CO)[C@@H]1CC[C@@H](C=O)[C@@H]2CCC1=CCOC1=O 14812920 DNDBWPONLLYRKA-IMBTUZDBSA-N 350.455 2.252 0 1 FEAF biogenic CN(C)C[C@@H](O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 224569056 OONCQNYQUIRUQX-CYBMUJFWSA-N 360.433 2.434 0 1 FEAF CC(C)C[C@H]1COc2cccc(N3CCSCC3)c2S(=O)(=O)N1 95564827 GRVZIQQFAVQLBL-ZDUSSCGKSA-N 356.513 2.325 0 3 FEAF C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)c1cccs1 618014026 KQHHKTZYHOXLAB-MRHIQRDNSA-N 358.467 2.133 0 1 FEAF COc1ccc(Cl)cc1-c1ccc2c(c1)C(=O)N1CCNC[C@@H]1C(=O)N2 67902325 UEKIQMDWFSANHS-MRXNPFEDSA-N 371.824 2.382 0 1 FEAF biogenic CC1CCC(NC(=O)c2cc3cccnc3n(CCC(=O)O)c2=O)CC1 299841226 YQUWHIAXYNZEAB-UHFFFAOYSA-N 357.410 2.180 0 1 FEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ncnc1O 587588263 SBFMTAJIGJPQBM-MLGOLLRUSA-N 352.302 2.296 0 1 FEAF NS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 586929379 FGRVGDIBRICDJQ-UHFFFAOYSA-N 370.356 2.409 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4cc(N(C)C)ccc41)[C@@H](C2)C3=O 587435207 DNWYCXOTYTZDGH-BTYIYWSLSA-N 364.401 2.381 0 1 FEAF Cc1cc2c(cc1O)[C@@](C)(CC(=O)c1ccccc1O)N[C@H](C(=O)O)C2 963525126 LMGDQRHDLVUDGA-MGPUTAFESA-N 355.390 2.493 0 1 FEAF Cc1cc2c(cc1O)[C@H](c1c(C(=O)O)ccnc1Cl)N[C@H](C(=O)O)C2 963523474 HWUXVVGRDYTBHN-SMDDNHRTSA-N 362.769 2.136 0 1 FEAF Cc1cc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCc3ccccc3)C2)n[nH]1 11819931 UBKBERANUZPFJV-QGZVFWFLSA-N 354.454 2.158 0 3 FEAF COc1cc2c(cc1O)[C@@H]1O[C@H](O)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 100772908 DPRSKEMBOBQDJV-BJLQDIEVSA-N 371.389 2.421 0 1 FEAF endogenous,in-man O=C(c1cccnc1)N1CCOC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 2356441940 JGBLSAKKWGZCLM-AWEZNQCLSA-N 367.327 2.415 0 1 FEAF CN(Cc1ccco1)[C@H]1CN(C(=O)C2CCOCC2)C[C@H]2CCCO[C@@H]12 299842138 JIEKDMODEBDULP-NZSAHSFTSA-N 362.470 2.144 0 1 FEAF Ic1cnc2ccc(-c3nc4ncc[nH]c-4n3)cn12 587188739 WDZOSZAFCCQPJI-UHFFFAOYSA-N 362.134 2.224 0 1 FEAF CCOC(=O)[C@@]1(C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797726 NCAJNGHPKZPELV-AYVTZFPOSA-N 358.207 2.470 0 1 FEAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccnc(Cl)c2[nH]1 587226325 ADSPTZNLEAFCCZ-UHFFFAOYSA-N 373.800 2.154 0 1 FEAF C[C@H](NC(=O)CC(F)(F)F)c1nc2nc(Br)c[nH]c-2n1 587093811 HEHXUEXMDZCCOR-BYPYZUCNSA-N 352.114 2.197 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCC(N)=O)c1)[C@@H](C2)C3=O 587427635 FBGYLEUMMYTKKH-RBZFPXEDSA-N 369.373 2.057 0 1 FEAF COc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2OC(C)=O)ccc1O 14643600 GOPRNCJZASYCJQ-ROUUACIJSA-N 360.318 2.060 0 1 FEAF biogenic Cc1cc(C)c(S(=O)(=O)NC(=O)CN2CCc3ccccc3C2)c(C)c1 1857589449 QURDVBATSQONLD-UHFFFAOYSA-N 372.490 2.475 0 1 FEAF C[C@]12CCC(=C3C[C@@H](c4ccoc4)OC3=O)C[C@@]1(O)CC[C@@H](O)[C@]2(C)O 2356432275 VZNUIGFGDXIJDN-NXHKRRBXSA-N 362.422 2.391 0 1 FEAF CCCc1c(Sc2cc(C)cc(C)c2)n(OCCCO)c(=O)[nH]c1=O 6381482 VJGXSFMMEXCFPA-UHFFFAOYSA-N 364.467 2.068 0 1 FEAF CN1CCC(N2C[C@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 2356301543 BEZYXVAVKUNSEZ-MJGOQNOKSA-N 355.482 2.359 0 1 FEAF Cc1c(C)c2c(c(C)c1OC(=O)[C@@H](N)CCCCN)CC[C@@](C)(CO)O2 26491120 JVSBQPZTDKNPBZ-JXFKEZNVSA-N 364.486 2.050 0 1 FEAF O=C(CCN1C(=O)c2ccccc2Sc2ncccc21)N1CCOCC1 20512061 ZRLRTEVFRINHCV-UHFFFAOYSA-N 369.446 2.442 0 1 FEAF CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 116880631 SQRMELSMCDEARL-HDICACEKSA-N 372.513 2.224 0 1 FEAF C[C@H]1C[C@@H](C)N(C[C@@H](O)CNS(=O)(=O)c2ccc3ccccc3c2)C1 28892118 XTEIDNBHYNANFK-DAYGRLMNSA-N 362.495 2.209 0 1 FEAF CC(=O)N1CCC(N2C[C@H](F)[C@H](OCc3nc4ccccc4n3C)C2)CC1 2356535910 CHCURQNMXGOURQ-QFBILLFUSA-N 374.460 2.123 0 1 FEAF CC(=O)O[C@@H]1[C@H](O)[C@](C)(O)[C@H](C=CC(=O)O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356711218 OZESVNMBZAEFCX-LEHSPDMJSA-N 354.443 2.133 0 1 FEAF CCCCCCc1cc(-c2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O)nc(N)n1 72109035 KUQKNRWKCUBLRL-OALUTQOASA-N 372.469 2.096 0 1 FEAF CNC(=O)Nc1cccc2n1cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C 49112409 PNCBMWYLTVOWNX-UHFFFAOYSA-O 368.417 2.243 0 1 FEAF C/C=C1/CN2[C@@H]3C[C@@]45c6cccc(OC)c6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC 238739156 PODPTPDMRYBSFN-HCMJVCBASA-N 368.433 2.254 0 1 FEAF C[C@H](CNC(=O)[C@@H]1CC[C@@H](c2ccccn2)NC1=O)N(C)c1ccccc1 618012468 LLFCNFZHHCZENN-AYBZRNKSSA-N 366.465 2.290 0 1 FEAF CO[C@H]1CC[C@H](NC(=O)c2n[nH]cc2NC(=O)c2ccccc2F)CC1 299822048 NVMFUMAPEQWKHK-HAQNSBGRSA-N 360.389 2.489 0 1 FEAF NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)cc1-c1nc2ccccc2[nH]1 299866898 WVYPOHDPGYBAGO-UONOGXRCSA-N 350.426 2.406 0 1 FEAF COC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591476 CNFGKOBKVXANRA-VQIMIIECSA-N 358.346 2.302 0 1 FEAF CC[C@@]1(c2c[nH]c(C(=O)NCc3ccco3)c2)c2c(cnn2C)CCN1C 963955425 PRSOUSDIUSIEHS-HXUWFJFHSA-N 367.453 2.413 0 1 FEAF CCCN(CCC)Cc1nc(O)nc(O)c1I 1857609821 JWMFASAGPDWMGV-UHFFFAOYSA-N 351.188 2.114 0 1 FEAF COc1cc2c(c3occc13)[C@H]1O[C@H]3O[C@@]4(O)CC[C@@]23[C@H]2[C@@H]1OC(=O)[C@]24C 1772632622 RZEZDYCDDYJMRZ-ZAXZDERASA-N 370.357 2.151 0 1 FEAF COc1cccc(C(=O)[C@@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)c1 11720811 AMPZLEPJMKLCTP-OAHLLOKOSA-N 371.437 2.163 0 3 FEAF COc1cc2c(cc1O)[C@]13C(=O)c4c(ccc5c4OCO5)[C@H]1O[C@H](C2)N3C 14415206 HWEUMEIJVMZCHG-YSGRDPCXSA-N 367.357 2.107 0 1 FEAF CCOC(=O)NCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O 14959925 WWEYQSXXSNNMKG-UHFFFAOYSA-N 364.789 2.068 0 1 FEAF CCC[C@@H](O)CC=C[C@@H](O)CCCC(=O)OCCCCCNC(C)=O 2356324527 JMFZUNRAZVOAHJ-QZTJIDSGSA-N 357.491 2.475 0 1 FEAF OC[C@@H]1[C@H](O)C[C@H](NCC2CCCCC2)[C@@H]1Cc1ccnc(C2CC2)n1 2356359866 UMEQMMQEFRXSEK-FUMNGEBKSA-N 359.514 2.424 0 1 FEAF C[C@@H]1O[C@]2(C[C@H](O)[C@@H]1C)O[C@@H]([C@H](C)C=CC=CC(=O)O)[C@@H](C)[C@@H](O)[C@H]2C 2356327691 GYTVZXLCIFKWMV-YGRVNAPASA-N 368.470 2.354 0 1 FEAF CC(C)(CF)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H](N)C3)cc21 3787364 ICBSTQAYAUXVMT-JTQLQIEISA-N 365.380 2.081 0 1 FEAF CS(=O)(=O)N1CCC2(CCCN(C(=O)Nc3ccccc3)C2)CC1 3956102 MIFZFLNQODMVGE-UHFFFAOYSA-N 351.472 2.356 0 1 FEAF C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CN1C[C@@H](c2ccccc2)CC1=O 27759910 IKRQMPWOBJEDBW-LMMKCTJWSA-N 357.498 2.382 0 1 FEAF CCOC(=O)N1[C@@H]2CC[C@@H]1CC(N1CC(NC(=O)c3ccccc3)C1)C2 101505662 PONLHOVKRPUIGQ-IAGOWNOFSA-N 357.454 2.253 0 1 FEAF CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(C(F)(F)F)c1 27306488 IXQQNAWHNAQZNT-UHFFFAOYSA-N 359.352 2.087 0 1 FEAF C[C@@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27728387 MHKAOBQJPBYYJQ-BUXKBTBVSA-N 353.422 2.227 0 1 FEAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@@H](C)OC 29337733 NRFWWEJRUBOFAK-GFCCVEGCSA-N 357.882 2.408 0 1 FEAF CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O 29037272 KWOQGNHDXLJPBS-UHFFFAOYSA-N 364.409 2.125 0 1 FEAF CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)N2CCN(C)CC2)O3)c1 61907559 RHMOAHPNMQGIPN-LJQANCHMSA-N 365.433 2.029 0 3 FEAF COc1cc([C@@H](CC(=O)O)[C@@H]2N(C)C(C)=C(C)N2O)cc(OC)c1O 2356824462 GUXQJCWOBZLHLC-SJKOYZFVSA-N 352.387 2.182 0 1 FEAF C=Cc1c(C)nn(C)c(=O)c1NCCN1CCN(c2ccc(C)cc2)CC1 45284676 JWOHPKMJJCPBBR-UHFFFAOYSA-N 367.497 2.274 0 1 FEAF C[C@H](O)[C@H]1C[C@H](O)[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 255201711 CCDBNJFEAVSCGU-AHDBVOOPSA-N 350.499 2.249 0 1 FEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(F)cnc(Cl)c2[nH]1 586930195 NRZTYVWQOTYIBL-UHFFFAOYSA-N 370.793 2.285 0 1 FEAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C(F)(F)C1 587132013 HAOUYWWVNOJGDP-LURJTMIESA-N 374.779 2.340 0 1 FEAF OC[C@H](O)[C@H](O)[C@@H](O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 17419568 OORRNQJYAWSLHU-XIRDDKMYSA-N 357.233 2.200 0 1 FEAF O=C1[C@H]2CCCN2C(=O)N1CN1CCN(c2cccc3ccccc23)CC1 13489206 HNGJSVQCJBLLAQ-LJQANCHMSA-N 364.449 2.346 0 1 FEAF O=C1Nc2ccc(F)c3c(S(=O)(=O)CCO)cc(-c4ccc[nH]4)c1c23 13535991 CZJUVDUMFZEZIA-UHFFFAOYSA-N 360.366 2.306 0 1 FEAF CCc1onc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 169711662 NRWKFLWHXLOQDQ-GFCCVEGCSA-N 354.414 2.050 0 1 FEAF CC[C@@H]1C(=O)C[C@H]2CCN(S(=O)(=O)c3cn(C)cn3)[C@H]3CCC[C@@H]1[C@@H]32 206955068 OYFVDCJVHXQMRC-ZVZLPEGASA-N 365.499 2.215 0 3 FEAF CS(=O)(=O)CC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1 168158735 WIUONIVBHKJJRG-UHFFFAOYSA-N 366.874 2.453 0 1 FEAF CC1=CCCN(C[C@@H](NC(=O)[C@H]2Cc3ccc(O)cc3CN2)C(C)C)C1 1857630304 FSWPSAUPOCJWTA-WOJBJXKFSA-N 357.498 2.199 0 1 FEAF COc1cc([C@H]2C(=O)NC(=O)N2c2cccc(O)c2)cc(OC)c1OC 1857644856 AQLFFGKYKHIFIH-HNNXBMFYSA-N 358.350 2.216 0 1 FEAF O=C1CCC(=O)N1CNc1ccc2c(c1)S(=O)(=O)c1ccccc1O2 1656818 XZPAPDGLTFCOTI-UHFFFAOYSA-N 358.375 2.144 0 1 FEAF CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(C)cc2)C1 3008195 LOORIWOIMSXYQY-QGZVFWFLSA-N 352.500 2.106 0 1 FEAF C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@]12C[C@@]1(COC(=O)C1)CO2 2356317420 QHYFPLAXWXWDJP-KLEXHFHZSA-N 352.471 2.285 0 1 FEAF N[C@@H](Cc1ccc(O)cc1)C(=O)NC12C[C@@H]3C[C@H](CC(CC(=O)O)(C3)C1)C2 101051306 BIXHAIBPQDHKQP-HOMDXJCOSA-N 372.465 2.192 0 1 FEAF N[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 2356321586 CVOPGWSAYOOQTC-JONQDZQNSA-N 367.371 2.022 0 1 FEAF COc1cc([C@H]2Oc3c(ccc4ccc(=O)oc34)O[C@@H]2CO)ccc1O 2356572456 BROWXLHOQNBXKJ-NVXWUHKLSA-N 356.330 2.381 0 1 FEAF CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1cncc(Br)c1 61897807 OLMPEGALVBJYHO-OAHLLOKOSA-N 354.248 2.365 0 3 FEAF Cc1c(CCC(=O)NC2=C(C(=O)O)CCCC2)cnn1-c1ccc(O)cn1 49034476 BHCQOIZYOBQROQ-UHFFFAOYSA-N 370.409 2.243 0 1 FEAF Cc1cc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)cc(N)n1 40935812 JTNZXGSNHWDNPB-PKOBYXMFSA-N 373.932 2.136 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C 86010735 YOQIGAVHLYFIAF-WEHXHOESSA-N 364.438 2.243 0 1 FEAF in-man COc1ccc(OCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1 473131997 QJNINNARQWUXAI-UHFFFAOYSA-N 367.405 2.119 0 1 FEAF CCCOc1cc2nc(C[C@H](O)CC(=O)O)[nH]c2cc1Br 586889198 JVPIUWIQEVOUJD-QMMMGPOBSA-N 357.204 2.492 0 1 FEAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587052555 UYQDQHICAJZOHV-LLVKDONJSA-N 367.814 2.411 0 1 FEAF CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1CCCC(=O)O 587390293 GHTZGXMFHYBHTJ-LJQANCHMSA-N 358.394 2.282 0 1 FEAF C[C@@]1(CN2C(=O)CCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581837 JFEZGEQLUPMLCZ-PXNSSMCTSA-N 367.357 2.262 0 1 FEAF COc1ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 587202499 IWYJSFYUTFUIND-MRXNPFEDSA-N 369.377 2.494 0 1 FEAF N[C@H](N=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 957916668 VNVAOZRGKLJVTJ-LSDHHAIUSA-N 367.814 2.348 0 1 FEAF Cc1cc2c(cc1O)[C@](c1ccccn1)(C1CCOCC1)N[C@H](C(=O)O)C2 963505953 DAMSGHCCEZCMPL-UWJYYQICSA-N 368.433 2.365 0 1 FEAF Nc1c2[nH]c(-c3ccccc3Cl)nc(=O)c2nc(=O)n1-c1ccccc1 13470911 RTBWFWBNTWPRHP-UHFFFAOYSA-N 365.780 2.372 0 3 FEAF CCCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169373236 STRMKLVHDMFVTN-FTUYCGPFSA-N 355.434 2.226 0 1 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@H]4CCCCN4)c(=O)n1c23 1857571621 QIMVMRUZAKQGGD-SMDDNHRTSA-N 373.428 2.225 0 1 FEAF O=C(O)CCC[C@H](O)C=CC=CC=CC=C[C@@H](O)[C@@H](O)CCCCCO 2356344133 ZOMUODAIBQTYLE-QRVBRYPASA-N 368.470 2.102 0 1 FEAF CCOc1ccccc1-c1n[nH]c2c1CN(C(=O)c1ccc(=O)[nH]c1)CC2 23192150 KWLMXEYWOWOOJJ-UHFFFAOYSA-N 364.405 2.362 0 1 FEAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)C[C@H]2O[C@@H]21 100831239 HWZODOOORTWWEA-ZKNLFHBTSA-N 365.451 2.322 0 1 FEAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)CC1CCCC1 61905113 SICHAODUEOECOC-GOSISDBHSA-N 364.467 2.063 0 3 FEAF COc1cc(O)c2nc3n(c(=O)c2c1)-c1ccccc1C(=O)N1CCC[C@H]31 13397514 JIIDXCQQSWFYCR-OAHLLOKOSA-N 363.373 2.391 0 1 FEAF biogenic CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 95875164 SIXKQJSUWIYCRJ-ULQDDVLXSA-N 367.287 2.220 0 1 FEAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Br)ncc3[nH]2)c1 587142409 ZBFLLQMZTSPDSU-UHFFFAOYSA-N 371.191 2.174 0 1 FEAF Cc1ccnc2c1CCN[C@@]2(C)c1ccc(N2CCCS2(=O)=O)cc1 963078123 WVYYOSNTNXZBMU-IBGZPJMESA-N 357.479 2.339 0 1 FEAF Cc1ccc(CN2CCn3nc(C(=O)N4CCCCC4)cc3C2=O)cc1 1772574235 UDIXALXSLALCAQ-UHFFFAOYSA-N 352.438 2.474 0 1 FEAF O=S(=O)(c1ccccc1)c1cnccc1NS(=O)(=O)C(F)(F)F 13586695 JDUAPUNMRHXADZ-UHFFFAOYSA-N 366.342 2.176 0 1 FEAF O=C(c1ccc2c(c1)OCO2)[C@H]1CO[C@H](c2ccc3c(c2)OCO3)[C@@H]1CO 14435828 RZIWMSJDPYUACC-LAPQFRIASA-N 370.357 2.323 0 1 FEAF endogenous,in-man CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccco2)nc1 1491301 IZLPZGXMPUYHPD-UHFFFAOYSA-N 358.301 2.345 0 1 FEAF COc1ccc(CCNC(=O)c2nc(-c3cccnc3)no2)c(OC)c1 9405782 KCSCVKGTJJKDQU-UHFFFAOYSA-N 354.366 2.121 0 1 FEAF CN(C)CCN(C)[C@@H](c1ccc(F)cc1)c1nnnn1Cc1ccccc1 58590578 UVFQDPSJPUYWGO-IBGZPJMESA-N 368.460 2.443 0 1 FEAF COC(=O)C(=CCc1ccc(O)cc1O)[C@H](Cc1ccc(O)cc1O)OC 2356517895 XOIYYFFWMNRCSJ-IBGZPJMESA-N 374.389 2.409 0 1 FEAF COc1ccc(C=O)c(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)c1 61931027 AYUGWMKPZRUBFV-UHFFFAOYSA-N 367.361 2.267 0 3 FEAF NCCCN(CCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1 73159848 VQXCVEDYESDJJG-UHFFFAOYSA-N 373.522 2.084 0 1 FEAF CCCNC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c(-c4ccccc4)cc32)N1 73197598 NLOBUAIGXIPFAV-SSZFMOIBSA-N 363.421 2.012 0 1 FEAF CCCc1cccc(OC)c1OCCCON1C(N)=NC(N)=NC1(C)C 45301780 CYOQDBWYHRFSKV-UHFFFAOYSA-N 363.462 2.029 0 1 FEAF CN(C[C@@H]1COc2ccccc21)S(=O)(=O)c1ccc2c(c1)CCNCC2 40950234 OPBJBLKJIWYZGA-QGZVFWFLSA-N 372.490 2.172 0 1 FEAF COc1ccc2c(c1)[C@H](O)[C@@H]([C@@H]1COc3ccc(OC)cc3[C@@H]1O)CO2 14859668 ANVSINVPZBSBDR-JSJNYSNDSA-N 358.390 2.488 0 1 FEAF biogenic COCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@@H](C(C)C)N2 82206384 ZFMIIPMFAMRWJE-HNNXBMFYSA-N 364.490 2.099 0 1 FEAF C[C@]1(O)C[C@]23CC(=O)[C@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N(CCO)C5 95918721 VECNWVPULQDULP-XAKDWRGASA-N 359.510 2.226 0 1 FEAF biogenic,in-vitro CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1ccc(Cl)cc1 96021230 DKOZYIPBQSZWRD-CYBMUJFWSA-N 363.888 2.150 0 3 FEAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587070590 RMMPVXGXCKMICZ-NSHDSACASA-N 364.858 2.149 0 1 FEAF CCCCNS(=O)(=O)c1ccc2nc(C[C@@H](C)CC(=O)OC)[nH]c2c1 587785132 MBFIBFTVWUUNIZ-GFCCVEGCSA-N 367.471 2.383 0 1 FEAF CCOC(=O)[C@H](c1cc2c3c(cccc3n1)CC2)[C@@H]1CCS(=O)(=O)C1 587216611 HEHPGOWOURYPSH-KDOFPFPSSA-N 359.447 2.415 0 1 FEAF CNC[C@@]1(C)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963151807 HRYWOIFJDYKZDF-NRFANRHFSA-N 369.465 2.419 0 1 FEAF O[C@H](COc1ccc(CN2CCSCC2)cc1)CN1CCCCC1 12385768 ZAIWAMDABDKYPY-SFHVURJKSA-N 350.528 2.461 0 3 FEAF O=C(NCC1CC1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 206060495 MXBAGYDZCFWAGE-UHFFFAOYSA-N 374.828 2.331 0 3 FEAF CC[C@H](C)CNC(=O)CN1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 201445516 ROQHFQVWTRWGRC-WMLDXEAASA-N 357.454 2.190 0 3 FEAF C[C@H](Nc1ncnc(N)c1F)c1nn2cccc2c(=O)n1-c1ccccc1 205572266 RDUCNJJWXRMQAU-NSHDSACASA-N 365.372 2.170 0 1 FEAF C[C@H](NC(=O)C[C@@H]1[C@H](O)CC[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C)C(C)(C)C 2356364272 RSPFXXVMPYBSBP-XEVKMFBRSA-N 369.546 2.474 0 1 FEAF Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN3CCCC[C@H]3C)n2)cc1 2965303 XWKUCTDWHUFMIF-QGZVFWFLSA-N 368.481 2.209 0 3 FEAF CC1=C2C[C@@H](O)C[C@H]3C(=O)OC[C@@]23C=CC2=C1[C@H](c1ccoc1)OC2=O 103232793 NUASEQPPJGZSGG-ZMQFRBSTSA-N 354.358 2.375 0 1 FEAF CSc1nc(Cl)c(C=O)c(Nc2ccc(S(N)(=O)=O)cc2)n1 58639013 KJYFMIWARJDIAU-UHFFFAOYSA-N 358.832 2.055 0 1 FEAF in-vitro O=C(Nc1cc(Cl)ccc1N1CC[C@@H](CO)C1)c1cnn2cccnc12 113654911 TYDKEVCWEALCFZ-GFCCVEGCSA-N 371.828 2.454 0 1 FEAF CC=C1CCN2CC[C@]34c5ccccc5N[C@@]23C[C@H]1[C@@]4(CO)C(=O)OC 2356788576 XIILJJFJGOTIAO-RCOXNQKVSA-N 354.450 2.274 0 1 FEAF O=C(NCC1CCCCC1)c1ccc2[nH]c([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 61908914 QATMTEQHPWBREU-RCCFBDPRSA-N 373.453 2.056 0 3 FEAF COc1ccc([Si]2(c3cc(OC)c(OC)c(OC)c3)CCC2)cc1O 210387569 GKFXVPXWFBFIAB-UHFFFAOYSA-N 360.482 2.393 0 1 FEAF COc1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3ccccn3)C(=O)O2)cc1 40897085 YYDMEIVVYUPBAW-ZRGSNEMSSA-N 369.373 2.009 0 1 FEAF O=C(NCCc1ccccn1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)O1 96065374 CMHOXDTYKGEIJP-QRVBRYPASA-N 355.438 2.155 0 1 FEAF O=C(Cc1ccc(O)cc1)OCCOC1=C(c2ccccc2)C(=O)OC1 96914297 DHZDBGFVSLPEGU-UHFFFAOYSA-N 354.358 2.463 0 1 FEAF CCc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(-c3ccccc3)n2)cc1 96282737 MKMZPUKJXSBQDH-UHFFFAOYSA-N 359.389 2.055 0 1 FEAF O=C(O)CCNc1nc(N2CCc3ccccc3C2)cc(-n2cccn2)n1 653692115 IEBVIQNPXBCZAK-UHFFFAOYSA-N 364.409 2.112 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C(C(=O)O)=NN(C)c4ccccc41)[C@@H](C2)C3=O 587437265 YXYSNOPKKVHQKH-RNODOKPDSA-N 364.357 2.229 0 1 FEAF Oc1nc(O)c2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2n1 587077240 SKNMPAHQHJIFAM-UHFFFAOYSA-N 358.745 2.253 0 1 FEAF CCCc1c(O)ccc2c1OC1(CCC3(CC1)NC(=O)NC3=O)CC2=O 587488448 ZRJQYFWDBKVUFE-UHFFFAOYSA-N 358.394 2.201 0 1 FEAF CCCc1c(O)ccc2c1O[C@@](C(N)=O)(c1c(C)nn(C)c1C)CC2=O 587474399 DGNYZUGZAMJMND-LJQANCHMSA-N 357.410 2.041 0 1 FEAF O=C1COc2cc3[nH]c(/C=C\S(=O)(=O)c4ccccc4)nc3cc2N1 586923986 CWQLWGLZTLKIQH-SREVYHEPSA-N 355.375 2.338 0 1 FEAF C[C@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174741 RXYQHWSEXHPXCD-GOSISDBHSA-N 364.340 2.306 0 1 FEAF CSc1ccc(-c2ccc3c(c2)C(=O)N2CCNC[C@@H]2C(=O)N3)cc1 5396170 RPXCPOWVNVMOQW-QGZVFWFLSA-N 353.447 2.442 0 1 FEAF biogenic CC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169302277 CSSBPZDYBJWQFO-AXHMDWHKSA-N 368.389 2.052 0 1 FEAF CCOc1ccc(N(CC)C(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4564587 UGIFGEIYSLPSDW-FTUNRGFVSA-N 368.433 2.245 0 1 FEAF COC(=O)[C@H](CCSC)NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 58608789 YFYFWXYZAJMMRC-NWHMWQLCSA-N 363.435 2.396 0 1 FEAF CC(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 20687791 LRLGDDPSXAXIHY-IXDOHACOSA-N 373.563 2.083 0 1 FEAF O=C1C=CC[C@H](/C=C/C[C@@H]2C[C@@H](O)[C@@H](O)[C@H](/C=C/c3ccccc3)O2)O1 84154417 ITOWMYXEGADZIR-UMCNEPJXSA-N 356.418 2.397 0 1 FEAF biogenic,in-vitro Cc1nc(-c2ncc(C(=O)NCCNc3ncccc3C)c(O)n2)cs1 91987009 CPLAYAKSAYWYEK-UHFFFAOYSA-N 370.438 2.159 0 1 FEAF O=C(O)CCC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604109 RDDKWMQFCGQURV-DNVCBOLYSA-N 372.329 2.432 0 1 FEAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(CO)cc2[nH]1 587203478 QNLWOGIAFXYYQF-MRXNPFEDSA-N 369.377 2.497 0 1 FEAF COCCNc1nc2nonc2nc1N(C)Cc1cccc2cnccc12 12437802 PKZLYTVWXWLJMD-UHFFFAOYSA-N 365.397 2.256 0 3 FEAF COC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2c1CC[C@@H](C)C2 1857570695 YYXXYBFVQJWGOG-LLVKDONJSA-N 351.472 2.439 0 1 FEAF CC[C@H]1C[C@H](C=CCC(C(=O)OC)C(=O)OC)O[P@](=O)(OC)O1 1857578722 HQPXMHFUGNZFHH-JOMGAKPTSA-N 350.304 2.234 0 1 FEAF Cc1c(C(=O)N2CCC(F)(F)CC2)cnn1-c1nc(O)c2c(n1)CCC2 1857590674 RVZFZMLKNBAXOG-UHFFFAOYSA-N 363.368 2.036 0 1 FEAF CCn1nc(C)c2c(C(F)(F)C(F)(F)F)cc(=O)n(CC(=O)O)c21 6857907 HYUVEYUCNKEVDU-UHFFFAOYSA-N 353.247 2.265 0 1 FEAF COc1ccc(Nc2nc(N)nc(C(=O)NCc3ccccc3)n2)cc1 103241520 ZCLRBHYKUPZJRY-UHFFFAOYSA-N 350.382 2.136 0 1 FEAF COC(=O)[C@]1(c2ccc(C)cc2)C[C@H]1CN1CCN(c2ncccn2)CC1 28636754 YDIFERBWWDDTIR-RXVVDRJESA-N 366.465 2.038 0 1 FEAF CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(C3CCN(C(C)=O)CC3)C1)C2 2356822437 FVPGSGBAGJFGAX-WMZOPIPTSA-N 355.482 2.311 0 1 FEAF Cc1c(O)c(C)c2c(c1O)C(=O)[C@H](Cc1ccc3c(c1)OCO3)[C@H](O)O2 13481972 HUGFWFLIFYXRSJ-JEOXALJRSA-N 358.346 2.196 0 1 FEAF biogenic CCOC(=O)c1nn(-c2ccc(OC(C)=O)cc2)c(=O)c2c(N)scc12 40867069 HTSZYTQVIVQGMU-UHFFFAOYSA-N 373.390 2.131 0 1 FEAF COc1cc2c(cc1O)[C@H](c1ccc(OC)c(OC)c1)[C@H](CO)[C@@H](CO)C2 14435287 KWAWYJQFQMCYSM-NVAPDCRFSA-N 374.433 2.323 0 1 FEAF biogenic NC1=N[C@@]2(CO1)c1cc(Br)ccc1O[C@H](C1CC1)C21COC1 149290656 YRMAWAYLQWOXON-CJNGLKHVSA-N 365.227 2.177 0 1 FEAF COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@H]1N(CCc1c2[nH]c2ccccc12)C3 238772916 VGDQBNXQAOYMPS-VUKHWUTDSA-N 354.450 2.226 0 1 FEAF C[C@@H]1[C@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@H](C(O)O)[C@H](C)[C@H]1C 261515187 DCVIOAHIQDCAHO-SBPIELQFSA-N 364.438 2.257 0 1 FEAF in-man CC1=C(C(N)=O)[C@@H](c2ccc[nH]2)N2NC(SCc3ccccc3)=NC2=N1 473135369 HTRYOSAKVIWSKN-OAHLLOKOSA-N 366.450 2.294 0 1 FEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)nc1O 587590168 YCUJKQKWKKKPPN-CJNGLKHVSA-N 352.302 2.296 0 1 FEAF COc1cc2c(cc1OC)[C@@](C)(c1c(C)[nH]n(C(C)=O)c1=O)N(C)[C@H](C)C2 962621932 HYKMHNQCYAKRED-GIPWTMENSA-N 373.453 2.302 0 1 FEAF CC1(C)CN(N2CCCC2=O)c2cc(Br)ccc2S1(=O)=O 13525449 VTUSIWVLICJHKG-UHFFFAOYSA-N 373.272 2.359 0 1 FEAF C[C@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@H]2CCN(C)C[C@H]21 169373664 BVICSNQLCGMLKS-JMSVASOKSA-N 362.499 2.053 0 1 FEAF C[C@@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccc(-n2c(O)c[nH]c2=O)cc1 169685086 FTXXOVTYDDSHFH-SNVBAGLBSA-N 353.382 2.214 0 1 FEAF CCCCCOc1ccc(C(=O)N=c2cc[nH]cc2)cc1-n1cnnn1 1857575024 YQAUJJVITHWVSO-UHFFFAOYSA-N 352.398 2.301 0 1 FEAF C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)[C@H](C)[C@@H](C)O)C(C)=CCC[C@@]1(C)O[C@H]21 253668060 MPNJUHHXWPDZRT-MUYPHADASA-N 364.438 2.301 0 1 FEAF CS(=O)(=O)NCc1nnc(SCc2ccc(C(F)(F)F)cc2)o1 1337648 PHLXDHNYATYMCV-UHFFFAOYSA-N 367.374 2.430 0 3 FEAF COc1cc(CNc2ccc3nc(N)nc(N)c3c2)cc(OC)c1OC 1579057 YYJWQABXDCUJEF-UHFFFAOYSA-N 355.398 2.432 0 1 FEAF in-vivo CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCO 4152583 LKGAPAACVOHDSQ-WBVHZDCISA-N 360.435 2.347 0 1 FEAF CC(=O)N1CCC(NC(=O)NC23CC4C[C@](F)(C2)C[C@](F)(C4)C3)CC1 101393918 LRLXBDNGOOHPQK-KJFXSAIASA-N 355.429 2.450 0 1 FEAF Cc1cc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)cc(C)c1O 29056887 BPBKICHTDUGKBZ-UHFFFAOYSA-N 365.393 2.451 0 1 FEAF Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)OC34CCCCC4)C2)cc(=O)[nH]1 23153365 UHDSVMZVOPEHNZ-CABCVRRESA-N 373.453 2.050 0 1 FEAF CNC(=O)C(C)(C)n1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1 103260588 ZQPKOSBVHGIUIN-UHFFFAOYSA-N 371.367 2.267 0 1 FEAF COc1cc([C@H]2Oc3ccc(/C=C/C(=O)O)cc3O[C@@H]2CO)ccc1O 103281679 MDAPOPYYLXOSPU-GHAAFOEMSA-N 358.346 2.372 0 1 FEAF Cc1ccc(NC(=O)c2ncn(CCCNC[C@H]3CCCO3)n2)cc1C 61936057 PZKUFHDXCCOBBI-QGZVFWFLSA-N 357.458 2.306 0 3 FEAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)C(=O)CC[C@](C)([C@H]23)[C@@]12CC[C@]1(COC(=O)C1)O2 2356544238 IKNNBDGBGVLCJD-UWTHAYRTSA-N 362.422 2.178 0 1 FEAF COC(=O)COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12 113652575 KAKWPGOLRDAOLM-UHFFFAOYSA-N 360.757 2.187 0 1 FEAF CCC(=O)C[C@H](O)C=CC=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)C[C@H](C)O 2356715726 PKZWOSPCXISENT-VBQNUUEISA-N 354.487 2.150 0 1 FEAF CN1C[C@H](NC2CCC2)CCC[C@H](C(=O)N(C)Cc2cccnc2)CC1=O 2356754819 NQSRDQSJPLIOOE-PKOBYXMFSA-N 372.513 2.199 0 1 FEAF O=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1cccs1 26981330 KRECSWUEGFBTEZ-UHFFFAOYSA-N 353.403 2.047 0 1 FEAF O=C(OCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)c1cnccn1 1911574427 ZQSDDAWHPSRPIL-UHFFFAOYSA-N 363.299 2.492 0 1 FEAF CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(C[C@@H]2CCCO2)c1=O 45385299 DKNCBLDJWHXXIC-HNNXBMFYSA-N 368.437 2.066 0 1 FEAF O=C(Nc1ccn(S(=O)(=O)c2ccc(Cl)nc2)c1)c1ccccn1 220905471 HGWIVENBNWTRGU-UHFFFAOYSA-N 362.798 2.421 0 1 FEAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCCNc1ccccc1 82203693 MCCBDRPUEHMHJJ-UHFFFAOYSA-N 354.458 2.011 0 1 FEAF CC(C)[C@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1 95594993 FQFGDUPFMGYOMB-ZDUSSCGKSA-N 356.434 2.370 0 1 FEAF COC(=O)[C@](C)(O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591909 IDTTUSPFKGOCTE-JVPBZIDWSA-N 358.346 2.037 0 1 FEAF Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)nn1C 587276200 JTDNXJCASPBMIU-UHFFFAOYSA-N 350.172 2.356 0 1 FEAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(N)nc(Cl)c2[nH]1 587039509 SOXNNAINVDXZLI-UHFFFAOYSA-N 368.810 2.454 0 1 FEAF O=C1C[C@]2(C(=O)N1)c1ccccc1C(=O)N2Cc1c(F)cccc1Cl 13651421 ZMPXDUDTWMNUSI-GOSISDBHSA-N 358.756 2.377 0 1 FEAF O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccc(Cl)cc1)C(=O)O)C2=O 13815948 DYYXZVQKGQBMRM-CQSZACIVSA-N 373.748 2.330 0 1 FEAF CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1[C@@H]2O)OCO4)OCO3 15219660 AKCAVBOVRWGORC-VQTJNVASSA-N 353.374 2.117 0 1 FEAF biogenic C[C@@H]1CC[C@@H]2C(=O)NC[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 169356132 CBJAXLVQLSPOSC-QZKOUSHUSA-N 353.260 2.081 0 1 FEAF COc1ccccc1[C@H]1[C@H](C(=O)c2ccccc2)C(=O)C(=O)N1C[C@@H](C)O 169687305 XGERDGWLTOVYBC-XWIAVFTESA-N 367.401 2.028 0 1 FEAF O=C(CSc1nnc2[nH]c(=O)ccn12)Nc1cccc2ccccc12 4249780 SNARBNRJXAFPJB-UHFFFAOYSA-N 351.391 2.302 0 1 FEAF Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2OCCCO)c1 6521933 UGYHFDAGAWYWBW-UHFFFAOYSA-N 364.467 2.239 0 1 FEAF C[C@@H]1CN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CCN1 58590492 IGSWQBFZXGXSDN-BEFAXECRSA-N 366.444 2.244 0 1 FEAF N[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)=C(O)O 100388742 DQFWYRJCGCFJNZ-INIZCTEOSA-N 367.405 2.387 0 1 FEAF endogenous,in-vitro C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@]21C 100829363 WKMBTXJFBQEZHO-RXBKSGBHSA-N 362.422 2.452 0 1 FEAF endogenous,in-man CC(=CCCC(=CCO)CO)CCC[C@H](CO)CCCC(CO)CO 2356473477 HAJHXJNFUIBKOA-SFHVURJKSA-N 358.519 2.174 0 1 FEAF OCCS[C@@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O 2356534980 VKKARASAKMNKCK-BRWVUGGUSA-N 350.392 2.065 0 1 FEAF CNC1=NC(=O)[C@H]([C@H](CC(=O)OC(C)(C)C)c2c[nH]c3ccccc23)O1 28771075 DFXLXUJXQPCQMA-WBMJQRKESA-N 357.410 2.484 0 1 FEAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CC(C)C)C(=O)[C@@]31C 2098968 BSNVUIHOPNYGMA-HXUWFJFHSA-N 355.438 2.275 0 1 FEAF biogenic O=C1OCC(CO)=C1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 139684053 NPVNACLIFOEBSJ-UHFFFAOYSA-N 368.341 2.122 0 1 FEAF O=C1OCC(OCCOC(=O)c2cc(O)cc(O)c2)=C1c1ccccc1 96914293 MMIMEGVCTAKLRI-UHFFFAOYSA-N 356.330 2.239 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2cc(Br)cs2)CC1 621478430 SFENWPWRAOBJBE-UHFFFAOYSA-N 351.291 2.102 0 1 FEAF CN(Cc1ccccc1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 473090838 PRYQTTCSTAWDJT-ARFHVFGLSA-N 374.466 2.341 0 1 FEAF O=S1(=O)c2cccnc2O[C@H](COc2ccccc2)CN1CC1CC1 299852507 SZWFATHCGXAEKK-INIZCTEOSA-N 360.435 2.322 0 1 FEAF CCOc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1 653806090 WQYZLMWFSUJAHL-UHFFFAOYSA-N 368.481 2.422 0 1 FEAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](NC(C)=O)C(=O)OCC)CC2=O 587472168 YBUSTRHXGZXTFB-HKUYNNGSSA-N 363.410 2.136 0 1 FEAF O=C1CC=C(c2nc3nc(Cl)c[nH]c-3n2)NN1Cc1ccc(F)cc1 587162830 DZKBDWHBBWOCDK-UHFFFAOYSA-N 358.764 2.375 0 1 FEAF CCOC(=O)Cc1ccc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2c1 587260547 TTZKJAQNLJAACZ-HNNXBMFYSA-N 366.421 2.010 0 1 FEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccnc(Br)c2[nH]1 587256087 BAVPXIVXXYCATB-MRVPVSSYSA-N 355.236 2.322 0 1 FEAF COc1cc([C@@H]2c3cc(OC)c(OC)cc3C[C@H](CO)[C@H]2CO)ccc1O 14435312 PDWZFAROGANMAJ-IUSZMWJPSA-N 374.433 2.323 0 1 FEAF biogenic,in-vitro O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@H](OCc2ccccc2)C1 1259847267 XRDCCONJUIXBJR-HNNXBMFYSA-N 361.419 2.395 0 1 FEAF CCCCN1C[C@@H]2CC(NC(=O)c3nn(C)c4ccccc34)C[C@@H](C1)N2C 100831433 VNJFPIYCOWKOMT-IRXDYDNUSA-N 369.513 2.250 0 1 FEAF C[C@H]1COc2c(N3CCSCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 29127130 CLDPKXMUBSNGSL-VIFPVBQESA-N 364.398 2.345 0 1 FEAF O=C1N[C@H](C(=O)NCCO[N+](=O)[O-])[C@H](c2cccc3ccccc23)S1 29327772 DXEYXBDSMGKKJY-KBPBESRZSA-N 361.379 2.030 0 1 FEAF CN(C(=O)CCCOc1ccc2[nH]c(=O)[nH]c(=O)c2c1)C1CCCCC1 26833351 UJMUGBLBCMPHMW-UHFFFAOYSA-N 359.426 2.167 0 1 FEAF O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccccc1)N1CCOCC1 20108126 WGIGMUNVZVWKJV-IBGZPJMESA-N 354.406 2.470 0 1 FEAF O=C1C=CC[C@H](C=CC[C@H](O)C[C@@H](O)C[C@H](O)CCc2ccccc2)O1 2356518704 YZNUQTVBWSAEBN-NMLBUPMWSA-N 360.450 2.300 0 1 FEAF O=C(NC1CC1)c1c(O)[nH]c2cc(Cc3ccc(F)cc3)cnc2c1=O 38248812 BXTDUZZMLSIMDO-UHFFFAOYSA-N 353.353 2.251 0 1 FEAF CCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)C[C@@H](C(C)C)N2 82206169 MVPBJMISTINXRS-INIZCTEOSA-N 372.469 2.491 0 1 FEAF CC(=O)Nc1cccc(-c2csc(NCC(=O)NC[C@H]3CCCO3)n2)c1 82193708 RUCSGMJGABAVCF-OAHLLOKOSA-N 374.466 2.476 0 1 FEAF CCOC(=O)CCc1nc2nc(N3C[C@H](C)C[C@@H](C)C3)ccc2[nH]c1=O 82232175 FUSVCEFMNOXPBM-CHWSQXEVSA-N 358.442 2.296 0 1 FEAF COc1c(O)cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)cc1O 238740945 HMPIRSTVLSNKFC-UHFFFAOYSA-N 362.290 2.005 0 1 FEAF O=C(CN1C(=O)c2ccccc2C1=O)OC[C@@H]1CCCN2CCCC[C@H]12 5833047 GJCQCBQSFMXFTI-WMLDXEAASA-N 356.422 2.090 0 1 FEAF CC(=O)c1cccn1[C@H]1C[C@H](Cc2cn(Cc3ccccc3)nn2)OC1=O 1857759289 BAWGTMFKNSVSEE-HKUYNNGSSA-N 364.405 2.430 0 1 FEAF Cc1cccnc1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 6781768 QSTAOXKZMWMIID-UHFFFAOYSA-N 368.418 2.330 0 3 FEAF CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)C1CCCCC1 101505636 GIEJJHIHMWBJJR-HOTGVXAUSA-N 351.491 2.139 0 1 FEAF COc1ccc(-n2ncnn2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22938182 ASUKIWYLLAJHAW-ICSRJNTNSA-N 364.453 2.254 0 1 FEAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)C[C@@H]2O[C@H]21 100831240 HWZODOOORTWWEA-VNRGGQEZSA-N 365.451 2.322 0 1 FEAF CC(=CCO)CCC=C(CO)CC[C@H](O)[C@]1(C)CC[C@@H](C(C)(C)O)O1 2356733734 RXGMJLUUKIBYON-BJLQDIEVSA-N 356.503 2.474 0 1 FEAF COc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](OC(C)=O)C2=O 2356785984 YIQPDBDQTWRFMS-QAPCUYQASA-N 360.318 2.060 0 1 FEAF CS[C@@]12Cc3ccccc3N1C(=O)[C@@]1(Cc3ccccc3O1)NC2=O 2356796195 MYLGWXSGDVSMSI-RBUKOAKNSA-N 352.415 2.096 0 1 FEAF C=CCN1C(=O)[C@@H]2C[C@@H](NC(=O)c3ccc(F)c(Cl)c3)CCN2C1=O 3840298 PGLKUIMQFBQOOW-FZMZJTMJSA-N 365.792 2.190 0 1 FEAF biogenic CCn1cc(C(=O)O)c(=O)c2c(C)c(F)c(N3C[C@@H](C)N[C@H](C)C3)cc21 40503552 PJEHPXCSJZYBDN-GHMZBOCLSA-N 361.417 2.354 0 1 FEAF CN(C)CCOc1ccc2nc(CCNC(=O)Cc3ccccc3)[nH]c2c1 587228481 MXEXDBNBWOAYFY-UHFFFAOYSA-N 366.465 2.405 0 1 FEAF CC(C)OP(=O)(COCCn1cnc2c(N)ncnc21)OC(C)C 5835319 BZPXWTVPQJADMA-UHFFFAOYSA-N 357.351 2.426 0 1 FEAF Cc1cc(C)n2nc(CC(=O)N3C[C@H](C)n4c3nc3ccccc34)nc2n1 1857559861 CHJKSRSGLBJMRH-ZDUSSCGKSA-N 361.409 2.241 0 1 FEAF O=C(NC[C@@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774904 PVCWZGDWDUYWIH-LLVKDONJSA-N 362.769 2.338 0 1 FEAF O[C@@H]1[C@@H](NC2CCCC2)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1 2356319115 DBYCJLIIEGBOPY-IVDHNXQLSA-N 355.438 2.108 0 1 FEAF C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O 3894649 NNNNVKKBPBVBKU-JQFCIGGWSA-N 350.484 2.068 0 1 FEAF O=C(OC[C@@H](CO)CCn1cnc2c(Cl)ncnc21)c1ccccc1 28865045 IYRGWIFVUUDNPR-GFCCVEGCSA-N 360.801 2.335 0 1 FEAF C=C(Cl)C(=O)N[C@@H]1CC[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@H]1O5 29339963 VGEFGSWMGRTTKI-KHJJJJMCSA-N 374.868 2.299 0 1 FEAF Cc1cc(S(=O)(=O)NC[C@H](O)CN2C[C@H](C)C[C@@H]2C)c(C)cc1Cl 28892199 ACZYRGLADZGESO-UGFHNGPFSA-N 374.934 2.326 0 1 FEAF COc1ccc(NC(=O)N2CC[C@H](CO)N(C)c3cccnc3C2)cc1 2356553559 FERJOSXDFFXEFN-OAHLLOKOSA-N 356.426 2.325 0 1 FEAF CN1C[C@@H](NC2CCC2)CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC1=O 2356754818 NQSRDQSJPLIOOE-MJGOQNOKSA-N 372.513 2.199 0 1 FEAF O=C(N[C@H]1CNCCC[C@H]1O)c1ccc(OCc2ccc(F)cc2)cc1 2356876541 ZLSCFMVMILXQQM-RBUKOAKNSA-N 358.413 2.247 0 1 FEAF CCNCCCNCCCNCCCNCCSc1ccccc1 34893954 XBYXFOWSPLMMQZ-UHFFFAOYSA-N 352.592 2.327 0 1 FEAF CC(=O)C[C@@]1(O)C(=O)Nc2cc(Br)cc(Br)c21 13407426 UCZPZZBCCIUPSH-NSHDSACASA-N 363.005 2.330 0 1 FEAF biogenic C[C@@H]1[C@H]2C[C@@]34COC(=O)C3=C[C@@H]3O[C@@H]3[C@@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2 238753109 CRALZLCKASXERO-WIQJRVQFSA-N 356.374 2.359 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNC(=O)C2CC2)cc1 95895232 LDIOELSZPYZCLS-QKQBFHLOSA-N 356.466 2.311 0 1 FEAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cnncc2[nH]1 586954022 XZFULHRDQGAFHG-UHFFFAOYSA-N 358.408 2.277 0 1 FEAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(C)c1cc[nH]n1 963146869 OQFSMSXZTZFNGB-QLJPJBMISA-N 364.427 2.376 0 1 FEAF Cc1ccc2c(c1)CN(CCNC(=O)CCc1cnccn1)C[C@H](C)O2 11841698 CSIUXXQWWHZOOV-INIZCTEOSA-N 354.454 2.117 0 1 FEAF CNC(=O)C[C@H](c1ccc(OC)c(OC)c1)N1C(=O)c2ccccc2C1=O 13757409 USPASZMTYOACPK-OAHLLOKOSA-N 368.389 2.177 0 1 FEAF O=C1c2ccccc2C(=O)N1CCNC(=S)Nc1ccc(Cl)cn1 13759889 HDMIEYWFCFYJJE-UHFFFAOYSA-N 360.826 2.318 0 1 FEAF O=C1COc2c(cccc2-c2ccc(N3C[C@H](CO)OC3=O)cc2F)N1 1857748837 NSLCFMDSPHBCHB-LLVKDONJSA-N 358.325 2.141 0 1 FEAF CCOC(=O)c1ccc(N2C(=O)C[C@@H](Nc3ccc(O)cc3)C2=O)cc1 892402 XKANEMCWKYZHTN-MRXNPFEDSA-N 354.362 2.313 0 3 FEAF COc1ccc(OC)c(C(=O)OCc2ccc3nc(N)nc(N)c3c2)c1 3814844 AVJYQOKXESFSHO-UHFFFAOYSA-N 354.366 2.168 0 1 FEAF CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@@H](C)[C@H]4C[C@@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C 100781984 WKNPIBKVHHVICI-MQNWJVAKSA-N 360.406 2.029 0 1 FEAF endogenous,in-man C[C@H]1CC[C@H]1n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 27621116 KKEZSOIPESLRDU-XHDPSFHLSA-N 359.401 2.219 0 1 FEAF COc1cc2nc(Cc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2cc1OC 28569822 MWMUZGKHAYMNND-UHFFFAOYSA-N 350.382 2.331 0 1 FEAF CNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 27413145 PTMTWDHCSVIFST-UHFFFAOYSA-N 365.792 2.235 0 1 FEAF COCCCNc1ncc(C(=O)NCCOC)c(-c2cccc(C)c2)n1 82147226 FWMFEAXPMWWRDV-UHFFFAOYSA-N 358.442 2.277 0 1 FEAF CCOC(=O)Cc1ccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2c1 587256675 MINQVLGYWZJDEL-CYBMUJFWSA-N 361.442 2.270 0 1 FEAF CN1CCN(c2ccc3nc(CSc4cccc[n+]4[O-])[nH]c3c2)CC1 586969874 ZSJZYTKNWIGRHA-UHFFFAOYSA-N 355.467 2.240 0 1 FEAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)[nH]n2)nc1 209424986 NVKJYVQOPHEUDV-OCCSQVGLSA-N 365.393 2.121 0 1 FEAF CNC[C@@H](O)CN1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 1857582404 SSLBNNKDUYZZCG-QGZVFWFLSA-N 354.454 2.269 0 1 FEAF COc1ccc(-c2ccc(C3=NO[C@H](CNC(C)=O)C3)cc2)ccc1=O 580413 QWAWTNNQWBSDDT-KRWDZBQOSA-N 352.390 2.352 0 1 FEAF COCC(=O)N1C[C@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 2356319837 IYTMIDXIDQGCNE-AEFFLSMTSA-N 366.417 2.228 0 1 FEAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]2[C@H]1C 2356338783 CXAMELXYQHONHH-RPCLIUANSA-N 350.503 2.229 0 1 FEAF CCCCCCC(=O)NC(C)(C)CC(=O)Nc1c[nH]cc(C(=O)O)c1=N 1911573068 SKGMAVYRMLAQDB-UHFFFAOYSA-N 364.446 2.386 0 1 FEAF COc1cc(-c2nn(C(C)C)c3ncnc(N)c23)ccc1N[C@@H](C)CO 8581990 KAANTKMOHHINMM-NSHDSACASA-N 356.430 2.458 0 1 FEAF COCCNC(=O)c1onc(CSc2ccccc2F)c1C(=O)O 8691399 DOASQTKPGMCSCW-UHFFFAOYSA-N 354.359 2.180 0 3 FEAF O=C([C@H]1CCOC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 101357512 IWNSSSZVCTUKAL-XQLPTFJDSA-N 370.478 2.358 0 1 FEAF CC=C[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@@H]2[C@]1(C)C(=O)[C@H]1C(=O)[C@H](CO)N(C)C1=O 2356440010 JTDBLZHVKWRMGZ-YIARPEGASA-N 373.493 2.395 0 1 FEAF COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)O)C(=O)[C@@H]2O)cc1 28221785 OXYANTGCEDJDIR-SJORKVTESA-N 359.403 2.321 0 1 FEAF CC(=O)NC[C@H]1CN(c2ccc(-n3ccc([C@H](C)O)c3)c(F)c2)C(=O)O1 28091273 WYWPZXVETWLPPA-NHYWBVRUSA-N 361.373 2.131 0 1 FEAF COc1ccc(CN2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@@H]3C2)cn1 2356651036 AHKZXOMODWKDDT-SFHVURJKSA-N 370.428 2.351 0 1 FEAF CC=C(C)C(=O)O[C@H](C)[C@](O)(C(=O)OC[C@H]1CCN2CCC[C@@H]12)C(C)C 2356698175 LOIDBGQADXQLMY-WWNBULGVSA-N 367.486 2.299 0 1 FEAF CS(=O)(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1 36289082 VBUVHVQJWHPRNR-UHFFFAOYSA-N 366.527 2.302 0 1 FEAF Cc1ccccc1COc1ccc(CC[C@]2(C(N)=O)COC(=O)N2)cc1 73224743 YRYAJQGIYWUGEF-HXUWFJFHSA-N 354.406 2.471 0 1 FEAF CC[C@H](O)c1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12 140182788 NUJDBYIZEFSXJP-AWEZNQCLSA-N 367.388 2.322 0 1 FEAF CCc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCN(C)C3 96174433 XXJCCDQHCHMCJP-UHFFFAOYSA-N 370.478 2.421 0 1 FEAF NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)/C=C/c1ccccc1F 143471917 WHWNKOZGHXSTIK-BQYQJAHWSA-N 374.390 2.025 0 1 FEAF CO[C@@]12C[C@H]3[C@H]4CN1CC[C@@]21c2ccccc2N(C(C)=O)[C@H]1[C@@H]3CO[C@@H]4C 238758166 MGBYZQHEEAVLDZ-RFHTZQOZSA-N 368.477 2.393 0 1 FEAF CC(=O)NC1(c2ccccc2)CCN(CC(=O)NCc2ccccc2)CC1 621476138 SCOKZJGFBKFMSL-UHFFFAOYSA-N 365.477 2.430 0 1 FEAF COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1cccc(C)n1)[C@@H](C2)C3=O 587448015 GZFHZJIQAGUYLK-LIRRHRJNSA-N 373.430 2.086 0 1 FEAF COC(=O)[C@]1(c2ccccc2)CCc2nc3nc(O)nc(O)c3cc2C1 587560022 TYXXOTFIIYZFFG-LJQANCHMSA-N 351.362 2.036 0 1 FEAF COCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 587756445 DSSHQFVTMMMYQE-RTHLEPHNSA-N 355.211 2.407 0 1 FEAF O=S(=O)(O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587117209 BAMAXGFRRALTFI-UHFFFAOYSA-N 360.317 2.268 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 587154880 UKXIPLFUEGDCRM-XIKOKIGWSA-N 374.441 2.294 0 1 FEAF Cn1c(CN2CCN(c3ccccc3O)CC2)ccc1CN1CCCC1=O 13449355 YZSKSIBYNQHPBG-UHFFFAOYSA-N 368.481 2.175 0 1 FEAF CN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 6725238 PZZSKKKPOYHBAF-IRXDYDNUSA-N 357.479 2.336 0 1 FEAF O=C(Nc1ccc(N2CCC[C@@H](O)C2)cc1)c1snc2c(O)ncnc12 8581705 FZLJIRKFWZQKKY-GFCCVEGCSA-N 371.422 2.005 0 3 FEAF CC(C)OCCCNC(=O)CCCN1C(=O)CSc2ncccc21 8912886 VJWIYUIBGIUTQQ-UHFFFAOYSA-N 351.472 2.232 0 1 FEAF C[C@H](S[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O 28756604 JVZOJVSKVSEJNC-CFVMTHIKSA-N 365.451 2.270 0 1 FEAF COc1cc([C@@H]2Oc3ccc(C=CC(=O)O)cc3O[C@H]2CO)ccc1O 2356489164 MDAPOPYYLXOSPU-HKUYNNGSSA-N 358.346 2.372 0 1 FEAF C[C@H]1C[C@@H]1C(=O)N1C(=O)[C@@H](C)[C@H]2[C@@H]1CCN2C(=O)OCc1ccccc1 38156342 IGUJARIQHGSCCJ-PTTAZLHSSA-N 356.422 2.427 0 1 FEAF CCOc1cccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1 72108712 OGXNSYSFNYGCKC-UHFFFAOYSA-N 362.407 2.383 0 1 FEAF CCC[C@@H](C)NC(=O)[C@@H](N)Cc1cccc(I)c1 84373610 NKYDVLOPBZLPSF-MFKMUULPSA-N 360.239 2.466 0 1 FEAF CS(=O)(=O)N(CC(=O)Nc1ccc(F)cn1)c1ccccc1Cl 95563229 KPHJUFCWUSAJKB-UHFFFAOYSA-N 357.794 2.279 0 1 FEAF CC(C)(C)OC(=O)N1CC[C@H]2c3nc4nc(O)nc(O)c4cc3CC[C@@H]21 587557302 IHOLQZJUAGFOLP-PWSUYJOCSA-N 358.398 2.475 0 1 FEAF C[C@]1(CN2C(=O)CCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581836 JFEZGEQLUPMLCZ-FXAWDEMLSA-N 367.357 2.262 0 1 FEAF Cc1ccc(OCC(=O)O)c2c1[C@@H](C)c1cc3c(O)nc(O)nc3nc1-2 587553668 CXGUNLHADRSRRF-QMMMGPOBSA-N 353.334 2.340 0 1 FEAF C[C@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592496 HQVDWKFUYZGRDE-YLJYHZDGSA-N 355.390 2.445 0 1 FEAF CC(C)Cc1ccc([C@H](C)C(=O)OC[C@@H](O)[C@@H]2OC(=O)C(O)=C2O)cc1 168473498 ZQTNXXZZAJDJNM-KHIZAZIESA-N 364.394 2.146 0 1 FEAF CC(C)c1ccccc1-c1cc2c(=O)n(CCCO)c(=O)n(C)c2cn1 1857567513 AYLPFXDSJWKDFH-UHFFFAOYSA-N 353.422 2.268 0 1 FEAF Cc1ncnc2c1c1cc(Cl)ccc1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F 1857653896 TZPIXIVWJUTBOK-XKVFNRALSA-N 351.765 2.135 0 1 FEAF Cn1ccc(C(=O)N2CCSC2=S)c(OCc2ccccc2)c1=O 1652887 LSCQAXFNKGKCDV-UHFFFAOYSA-N 360.460 2.438 0 1 FEAF COc1ccccc1CN1CCCC2(CCN(S(C)(=O)=O)CC2)C1 3955816 WPTBQDYXRJDOQD-UHFFFAOYSA-N 352.500 2.333 0 1 FEAF O=C(CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21)NCc1cccnc1 6750282 JUALTJWSRNINBJ-LJQANCHMSA-N 374.400 2.260 0 1 FEAF CCN(CC)C(=O)[C@H]1CCCN(C(=O)n2oc(=O)c(C(C)C)c2C)C1 26941140 JWKHKMJIWFZOPA-AWEZNQCLSA-N 351.447 2.422 0 1 FEAF COc1cc([C@H]2Oc3c(ccc4ccc(=O)oc34)O[C@H]2CO)ccc1O 2356572455 BROWXLHOQNBXKJ-DOTOQJQBSA-N 356.330 2.381 0 1 FEAF Cc1ncc(C)n2nc(/C=C/c3nc(N4CCCCCC4)nn3C)nc12 218529735 XHOZVCZRBBULKL-CMDGGOBGSA-N 352.446 2.420 0 1 FEAF Cc1ccc(CNC(=O)Nc2cccc3[nH]ncc23)c(N2CCOCC2)n1 49089790 BBWVGSGDNCLHEF-UHFFFAOYSA-N 366.425 2.425 0 1 FEAF Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCN(C)C)cc1 199943726 OXWRQYIDBMXMPC-UHFFFAOYSA-N 364.515 2.356 0 1 FEAF CC(=O)Nc1ccc(-c2csc(NCC(=O)NC[C@@H]3CCCO3)n2)cc1 82193701 DWJLTPVQDOMQGQ-HNNXBMFYSA-N 374.466 2.476 0 1 FEAF CCCn1cnc2c(NCc3cccnc3)nc(N[C@H](CC)CO)nc21 95561736 AJLMBJNJQBLZGH-CQSZACIVSA-N 355.446 2.426 0 1 FEAF O=C(CN1CCN(c2cccnc2)CC1)Nc1nc2c(s1)CCCC2 96258507 ZNQCUPUKPFSIQQ-UHFFFAOYSA-N 357.483 2.178 0 1 FEAF CCCCCN[C@]12C=CC(=O)[C@@H]3Oc4c(O)ccc5c4[C@]31CCN(C)[C@H]2C5 22851779 NRPCWSUJMWEFOK-MVWVFHAYSA-N 368.477 2.309 0 1 FEAF biogenic CCCC(=O)N1CCC2(CC1)CN[C@H](CO)c1[nH]c3cc(OC)ccc3c12 95796358 SAXTURHULWJRBV-QGZVFWFLSA-N 371.481 2.473 0 1 FEAF N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)CC1 253687986 MPBOMYAPVHELFL-JDFRZJQESA-N 365.424 2.203 0 1 FEAF COc1ccccc1N1CCN(CCNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 253635497 MKNWWWHCPYCIKA-BZSNNMDCSA-N 357.498 2.370 0 1 FEAF C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 621485842 OUHXNDKRYIEFPD-GFCCVEGCSA-N 372.874 2.264 0 1 FEAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 587970431 HHNZLWUIDIEHLJ-RNLVFQAGSA-N 359.563 2.478 0 1 FEAF CNS(=O)(=O)c1ccc(CCc2nc3c(Cl)ccnc3[nH]2)cc1 586946794 PUFCIYQLICVAPW-UHFFFAOYSA-N 350.831 2.305 0 1 FEAF Oc1ncc([C@@H]2CCC[C@]3(C2)NCCc2nc4ccccn4c23)c(O)n1 962989345 ZSRAZQGFLNFMPH-CWTRNNRKSA-N 351.410 2.234 0 1 FEAF COCCN(C)C(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 167083751 GDAYVZZLCXPLAT-UHFFFAOYSA-N 354.410 2.348 0 1 FEAF CCCN(CCN1C=CN(C)/C1=C\N=O)S(=O)(=O)c1ccccc1 209133775 RPRSBMUAKOPTRE-JQIJEIRASA-N 350.444 2.371 0 1 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@@H]4CCN(C)C4)c(=O)n1c23 1857549498 ORZMLPVPMITQBR-RYUDHWBXSA-N 373.428 2.035 0 1 FEAF Nc1nc(N)c2cc(Sc3ccc4nc(N)nc(N)c4c3)ccc2n1 1654482 QHMGHVKETQACHI-UHFFFAOYSA-N 350.411 2.053 0 1 FEAF CN(C(=O)Cc1ccccc1N)[C@H](CN1CC[C@H](O)C1)c1ccccc1 3803307 SYMWUCVROYSIKP-AZUAARDMSA-N 353.466 2.078 0 1 FEAF COCCNC(=O)c1cccn2c(=O)c3c4c(sc3nc12)CCCC4 4971743 MHZQPQBWCHRPOP-UHFFFAOYSA-N 357.435 2.164 0 3 FEAF CN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 6725237 PZZSKKKPOYHBAF-DLBZAZTESA-N 357.479 2.336 0 1 FEAF CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1cccnc1 29219691 VVLWFLPJEQYORD-APWZRJJASA-N 357.479 2.464 0 1 FEAF COC(=O)n1c2cc(OC)ccc2c2oc(C(=O)N3CCOCC3)cc21 26388801 QDHREQXAUWZLCM-UHFFFAOYSA-N 358.350 2.483 0 1 FEAF Cc1cnc(NO)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 87613044 ZDVDFVBZUAGBPN-OAHLLOKOSA-N 353.382 2.045 0 1 FEAF COCCCN1C[C@H]2[C@H](NC(=O)c3nc(C(C)C)n4ccccc34)[C@H]2C1 653805022 SCKDVADFQUUMKD-QLPKVWCKSA-N 356.470 2.154 0 1 FEAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3nc(Cl)c[nH]c-3n2)s1 587024410 ZAYUBJDBULURKQ-UHFFFAOYSA-N 367.822 2.747 0 1 FEAF C[C@@]1(CC(=O)NC2CC2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962639332 UPHMYSBSQIHWJS-ZBEGNZNMSA-N 372.343 2.068 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cccc(Cn3cncn3)c1)NCC2 962924092 MVBGTJHTRPBTAH-FQEVSTJZSA-N 361.449 2.263 0 1 FEAF CSc1cccc(CNC(=O)C[C@@H]2C(=O)NCCN2CC(C)(C)C)c1 11661599 CMCTZPXYEXYAAU-MRXNPFEDSA-N 363.527 2.261 0 3 FEAF C[C@@]1(O)OC(=O)C(c2cccc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1 13488605 XEZLBSOUHPGMPG-GOSISDBHSA-N 362.378 2.405 0 1 FEAF CCc1nn(C)c2c1CN(c1ncnn3c(C)nc(CC(C)C)c13)CC2 169711680 KVBNZPFJXCPAQS-UHFFFAOYSA-N 353.474 2.490 0 1 FEAF O=c1c2ncn(CCCCO)c2[nH]c2nc(-c3ccc(Cl)cc3)cn12 1857535775 LXVUTCFWHIHWLO-UHFFFAOYSA-N 357.801 2.465 0 1 FEAF CCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1 104238725 HICKUASMUMDUCU-UHFFFAOYSA-N 353.407 2.050 0 1 FEAF CNC(=O)/C=C1/COc2c1ccc(OS(=O)(=O)c1ccccc1)c2C 101662738 DQJCQLCXPRMXEO-RAXLEYEMSA-N 359.403 2.285 0 1 FEAF CO[C@H]1[C@H]([C@@H](CC(=O)O)NCC[C@@H](C)CC(C)C)O[C@@H]2OC(C)(C)O[C@H]12 103296924 PQWSTYMWWPTFKP-DWPWVGJLSA-N 373.490 2.383 0 1 FEAF O=C(NCc1cccnc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 100013304 CLVGXTZOXSABFR-UHFFFAOYSA-N 372.384 2.416 0 1 FEAF O=C(Nc1cccc(Cl)c1)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 61907198 PSGXXLLKTVQQDW-YNEHKIRRSA-N 354.815 2.232 0 3 FEAF CN1Cc2c(ccc3c2OCO3)[C@@H]2C(=O)c3cc4c(cc3C[C@H]21)OCO4 2356560812 GTRPODKMSBFDOI-KDOFPFPSSA-N 351.358 2.481 0 1 FEAF CC(C)[C@]1(O)C=C2[C@H](O)C[C@@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@]2(O)CC1 2356564122 IKFPEPLBKUUDDK-ABWGISGVSA-N 352.471 2.487 0 1 FEAF Cc1ccc(CN[C@@H]2CO[C@@H](CNC(=O)Nc3ccccc3)[C@H]2O)cc1 2356619972 ACMNMTMMEAIRBK-QYZOEREBSA-N 355.438 2.035 0 1 FEAF CNC(=N)N1CC[C@@H]2CC[C@@H]3[C@H](O)C(C(=O)O)=C4C[C@H]5CC[C@@H](C)[C@]43[C@@]25C1 2356862062 UWPFQXOVNGPAEQ-AIWLITPLSA-N 373.497 2.051 0 1 FEAF COc1cccc(CN2CCC[C@@H](O)[C@@H](NC(=O)c3ccc(O)cc3)C2)c1 2356866233 WEKNPHPVBWPNFG-VQTJNVASSA-N 370.449 2.156 0 1 FEAF Oc1nc(CN2CC(O)C2)nc2c1oc1ccc(Br)cc12 84724177 HPHKSCVZUSQYGD-UHFFFAOYSA-N 350.172 2.021 0 1 FEAF COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 96914133 UOEUJVLYVLHEKQ-HNNXBMFYSA-N 357.406 2.439 0 1 FEAF CN1CCc2cc3c(cc2[C@H]2O[C@H](O)c4c(ccc5c4OCO5)[C@H]21)OCO3 238732109 XUYAYNRYVXHNOQ-GGPKGHCWSA-N 369.373 2.435 0 1 FEAF O=C(NC1CCCCC1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 250105333 ZWUANCSARYZRFS-WWNBULGVSA-N 372.490 2.479 0 1 FEAF O=C1CC=C(c2nc3cnc(Cl)[nH]c-3n2)NN1Cc1ccc(F)cc1 587162365 BKFZUDQHSYZUJQ-UHFFFAOYSA-N 358.764 2.375 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](C(=O)O)NC2)N1 587794294 LTRMMVRXAGGVGG-SXKNGAHQSA-N 357.223 2.154 0 1 FEAF CCOC(=O)c1nn(C)c2c1CCC[C@]21NCCc2c(C(=O)O)cccc21 963127906 YRNSQDPXMIWWLI-HXUWFJFHSA-N 369.421 2.021 0 1 FEAF C/C=C(\C)C(=O)NCCN1C2=NC[C@@H](C)N2C[C@@H]1Cc1ccc(OC)cc1 13545669 YNDBZWQGRIFGFP-YCJRSJBISA-N 370.497 2.064 0 3 FEAF CS(=O)(=O)c1n[nH]c(-c2cccc3ncc(-c4ccccc4)nc23)n1 1857637598 BNPFQDZTSJEXEN-UHFFFAOYSA-N 351.391 2.485 0 1 FEAF O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1 2499821 VRGNHUTUPGOLFQ-UHFFFAOYSA-N 371.547 2.268 0 3 FEAF CC[C@@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@]1(C)CC[C@@H](C(CO)CO)C1=CC[C@]2(C)O 2356447326 OHNVMRBSEQNCQL-IFFLHHJHSA-N 352.515 2.498 0 1 FEAF O=C(CCS(=O)(=O)c1cccc2nonc12)N1CCCc2ccccc21 3665123 HNQOFOMKBWSKLP-UHFFFAOYSA-N 371.418 2.366 0 3 FEAF Cc1nc(NCCO)c2nc(-c3ccccc3)n(CCCN(C)C)c2n1 7991800 VZZNXQHHBYUSKF-UHFFFAOYSA-N 354.458 2.158 0 1 FEAF CCOC(=O)N1[C@H]2CC[C@H]1CC(N1CC(NC(=O)c3ccccc3)C1)C2 101505665 PONLHOVKRPUIGQ-IRXDYDNUSA-N 357.454 2.253 0 1 FEAF CCN(CC)C(=O)[C@H]1CCC[C@H](NCc2cccnc2)CN(C)C(=O)C1 2356299786 OIBDOBXATVZHBB-ROUUACIJSA-N 360.502 2.057 0 1 FEAF O=C(OCc1ccccc1)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C1OCCO1 28257212 YUKPOYNFGXVABT-IAGOWNOFSA-N 374.437 2.152 0 1 FEAF CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@@H]1c1ccc2ccccc2c1 61958853 DZKZWHOSZVETMA-QGZVFWFLSA-N 360.435 2.498 0 3 FEAF NC1=N[C@@H](c2c(Br)[nH]c3cc(O)c(Br)cc23)CN1 15122150 CNFOGMRBBCOEBB-SSDOTTSWSA-N 374.036 2.358 0 1 FEAF biogenic CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(O)ccc21 45300027 FJALYWCEZCEUMO-UHFFFAOYSA-N 351.299 2.043 0 1 FEAF COc1cc(C)ccc1S(=O)(=O)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1 263590290 IQKHAZFXLDBGDT-RDJZCZTQSA-N 372.446 2.427 0 3 FEAF N[C@H]1[C@@H]2CN(c3nc(Nc4cc(C5CC5)[nH]n4)c4sccc4n3)C[C@H]12 473135656 QXQGBBYXXQZSKI-MSRIBSCDSA-N 353.455 2.429 0 1 FEAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1 586916160 KSPGDBJFDDTJHV-MRXNPFEDSA-N 367.471 2.053 0 1 FEAF Cc1ccnc2c1CCN[C@]2(CS(C)(=O)=O)c1ccc(Cl)cc1 963065306 CUIHUFNFZQYGOX-QGZVFWFLSA-N 350.871 2.477 0 1 FEAF C[C@]1(c2ncc(F)cn2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962640199 ODQCZJTWZIKGBL-DOMZBBRYSA-N 371.290 2.377 0 1 FEAF C/C=C(\C)C(=O)NCCN1C2=NC[C@H](C)N2C[C@@H]1Cc1ccc(OC)cc1 13545655 YNDBZWQGRIFGFP-WSKRTUNMSA-N 370.497 2.064 0 3 FEAF CN1CCN(c2nnc3n2-c2ccccc2C(c2ccccc2)=NC3)CC1 169316146 VQCONBXPQQCBHD-UHFFFAOYSA-N 358.449 2.370 0 1 FEAF O=C1N=C(N2CCN(C(=O)Nc3ccccc3)CC2)O[C@H]1c1ccccc1 169346493 RFFWNEHDUCCDRD-KRWDZBQOSA-N 364.405 2.490 0 1 FEAF Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(=NCC(=O)O)[nH]1 1857551676 PPTPXEJJDHXBKP-UHFFFAOYSA-N 354.457 2.478 0 1 FEAF COc1ccccc1N1CCN(C2=N[C@@H]3CCCCC[C@@H]3C(=O)N2)CC1 1857578806 NWRQEDZMNCLLOS-JKSUJKDBSA-N 356.470 2.252 0 1 FEAF CCNC(=O)N1C[C@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 2356299833 OYYOECYWVPMVBJ-WBVHZDCISA-N 366.421 2.180 0 1 FEAF CN(C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)C1)c1ccccc1 6437635 VWTYUWRLIIWROW-IBGZPJMESA-N 365.433 2.245 0 1 FEAF Cc1cc(C)n2nc(S(=O)(=O)Nc3nccc4ccccc34)nc2n1 103286349 KKXPSZOKGHSMTC-UHFFFAOYSA-N 354.395 2.090 0 1 FEAF CS(=O)(=O)c1ccc(Cn2ncc3c(-c4ccco4)nc(N)nc32)cc1 29046513 RQORBWBTJGJMAQ-UHFFFAOYSA-N 369.406 2.120 0 1 FEAF CC(=O)NC1C[C@H]2CCC[C@H](C1)N2CC(=O)N1CCCc2ccccc21 100984095 GQDUBRJIZQZKDI-RTBURBONSA-N 355.482 2.487 0 1 FEAF O=C1CC(=O)N(C[C@H]2CCCO2)C(=O)N1CCc1ccc(Cl)cc1 101678181 NPTQLWJTMWYFPR-CQSZACIVSA-N 350.802 2.242 0 1 FEAF CC(C)[C@@H]1C=C[C@](C)(O)CC[C@@H](O)[C@@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 2356421236 ZXUDZQNLOBXDTI-CIJNOWTPSA-N 352.471 2.494 0 1 FEAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(Br)sc12 64573375 QBQVOHINGWVRAQ-ZETCQYMHSA-N 355.261 2.322 0 1 FEAF COc1ccc(NC(=O)O[C@@H]2CC[C@H]([C@H](N)C(=O)N3CCCC3)C2)cc1 27986506 RUMXIFYYJHGJLC-XKQJLSEDSA-N 361.442 2.362 0 1 FEAF C[C@@H]1CC[C@@H](C)N1C[C@H](O)CNS(=O)(=O)c1cccc2ccccc12 28891769 GBQZPHGKWXWKET-BFYDXBDKSA-N 362.495 2.352 0 1 FEAF CC[C@]12CCCN3CC[C@]4(c5ccc(O)c(O)c5N(C(C)=O)[C@@H]4[C@@H](O)C1)[C@@H]32 14717512 NWWUTQFOMKMOSW-KDJJVYBXSA-N 372.465 2.100 0 1 FEAF biogenic CCCCc1cnc(N)c(CNC(=S)Nc2ccc3[nH]c(=O)oc3c2)n1 71296155 AJKKWLMPONETGH-UHFFFAOYSA-N 372.454 2.323 0 1 FEAF COc1ccccc1CNc1nc(N2CC[C@H](NC(C)=O)C2)ncc1C 82203728 PCHQYKCBOCYBOJ-INIZCTEOSA-N 355.442 2.121 0 1 FEAF CC(C)[C@@H]1[C@@H]2C/C(=C\C[C@@H](O)[C@H](C)C[C@@H]1OC(=O)[C@H](C)[C@@H](C)O)C(=O)O2 238788808 FFZUKRDLFPYGRN-FRKVBCSDSA-N 368.470 2.220 0 1 FEAF Cc1nn(C)c(C)c1[C@]1(C(N)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587516695 UQNHJXKFLOMLRR-FQEVSTJZSA-N 353.422 2.262 0 1 FEAF O=C(Cn1nnc(-c2ccccc2)n1)n1ncc2ccc(Cl)cc2c1=O 587652359 CPVGBSSQLQSURW-UHFFFAOYSA-N 366.768 2.044 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CNCn3ccc(N)c32)N1 587765312 CBMOCWMBTLSUMN-JDNHERCYSA-N 365.250 2.310 0 1 FEAF C[C@]1(c2csnn2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642383 ZHMNKBAZLBWKSC-MFKMUULPSA-N 359.329 2.299 0 1 FEAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cnc3n2CCC3)N1 962968701 DIOYRSZERFQJMF-MEBBXXQBSA-N 353.756 2.449 0 1 FEAF N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)OCc1cn(-c2ccccc2)nn1 1772607559 UWJQWSQIBIBJSY-SFHVURJKSA-N 361.405 2.362 0 1 FEAF O=C(c1cocn1)N1CCC(C(=O)N2N=CC[C@@H]2c2ccccc2)CC1 1857609766 AFMVRVIXWIUOFA-QGZVFWFLSA-N 352.394 2.486 0 1 FEAF N#CN1CC[C@@H](NC(=O)c2ccc(N3CCC[C@H]3c3cccnc3)nc2)C1 1857617376 MTJXHXNNDCGFDT-MSOLQXFVSA-N 362.437 2.103 0 1 FEAF CC(C)c1cn2cccc(C(=O)NCC3[C@H]4CN(CC(C)(C)O)C[C@H]34)c2n1 1857754051 CPIDTJZSHBCIDB-IAGOWNOFSA-N 370.497 2.136 0 1 FEAF COc1ccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@H]3c3ccccc3)N2)cc1 4279764 VYTZJPWDEGJYOO-QGZVFWFLSA-N 361.405 2.132 0 1 FEAF CC[C@H]1[C@H]2C[C@H]3[C@@H]4Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O 100198951 VAOXSMUPPRUEKF-IKGRUASYSA-N 354.450 2.101 0 1 FEAF in-vitro CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)C4=Nc5ccccc5[C@]4(O)CCN(C2=O)[C@@H]13 2356464298 FCRGUGMZWUACLY-BGWLCRJDSA-N 368.433 2.170 0 1 FEAF Cc1cc2c(c(C)c1CCOC(=O)[C@H](N)CCC(=O)O)C(=O)C(C)(C)C2 2356590554 SXHDYXWSBPCYJI-OAHLLOKOSA-N 361.438 2.346 0 1 FEAF Cc1nccc(C[C@@H]2[C@H](NCc3ccc(Cl)cc3)C[C@@H](O)[C@H]2CO)n1 2356624324 AVYNEWQZTJGZME-INDMIFKZSA-N 361.873 2.129 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)[C@@]34O[C@]3(C[C@@H]12)OC(=O)[C@@H]4C 238752728 OVMSUOGTJXIEKB-PSBVQIIFSA-N 364.438 2.340 0 1 FEAF N=c1[nH]cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc-2[nH]1 587017018 GQCAGCDAVWMKPJ-UHFFFAOYSA-N 366.406 2.203 0 1 FEAF COC(=O)Cc1cc(OC)n(-c2ccnc(Br)c2)c1OC 587941969 ZZXZDRQRAHEMPZ-UHFFFAOYSA-N 355.188 2.368 0 1 FEAF O=C1O[C@H](c2ccc(F)cc2)[C@@H](O)N1c1cccc(OS(=O)(=O)O)c1 1772658101 RPDUZJOAGFMHEV-ZIAGYGMSSA-N 369.326 2.024 0 1 FEAF Cc1ccn(CCNC(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1 12051427 RKKOGKSHLXAOCV-MRXNPFEDSA-N 374.872 2.400 0 3 FEAF O=S(=O)(c1ccc(F)cc1)n1cc2c3c(cccc31)N1CCNC[C@@H]1C2 169351346 JQUVGNFVRZWODK-HNNXBMFYSA-N 371.437 2.352 0 1 FEAF Cc1c(OCCN2CCCC2)ccc2c(=O)cc(N3CCOCC3)oc12 604184 VDEZRJUMCJLJDA-UHFFFAOYSA-N 358.438 2.413 0 1 FEAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1C(=O)C[C@H]1[C@]2(O)[C@H](O)C[C@H]2C(C)(C)CCC[C@]21C 2356380301 ZVUXDKNPHFTWRA-IZNWLNBOSA-N 350.455 2.081 0 1 FEAF CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cc(C)ccc1C 8619060 LRCNMGUEMYZELM-UHFFFAOYSA-N 356.422 2.496 0 1 FEAF C[C@@]12C[C@@H]3OC(=O)[C@@H]4CCC[C@@](O[C@@H]5[C@H](c6ccoc6)OC(=O)[C@@H]51)(O2)[C@@]34C 2356395838 XSUYRBLFYMCFCL-YVPHEYBTSA-N 374.389 2.500 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)O[C@]3(O)C[C@H]12 2356400728 IJGXECQJMLLVLT-AEKKMWOFSA-N 364.438 2.243 0 1 FEAF CC(=O)NC(C)(C)c1ccc(CN2CCN(c3ncccn3)CC2)cc1 27991289 QXWSZVHSSNJEKN-UHFFFAOYSA-N 353.470 2.170 0 1 FEAF Cn1cc(C(=O)NCCN2CCOCC2)c2c1-c1ccccc1SC2 20329498 UIZBPWURLRYPRK-UHFFFAOYSA-N 357.479 2.360 0 1 FEAF Cc1noc(C)c1Cn1cc(N2C(=O)N[C@H](Cc3ccccc3)C2=O)cn1 115731714 OLQBCPWGFOFXPA-QGZVFWFLSA-N 365.393 2.204 0 1 FEAF O=C(Cn1cnc2c(NCc3ccccc3)ncnc21)NCc1ccccn1 61945272 HESYNFXJXHLQCD-UHFFFAOYSA-N 373.420 2.150 0 3 FEAF OC[C@H]1O[C@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)C[C@@H]1O 26571763 QHUNSJYFZSECMJ-SCRDCRAPSA-N 352.822 2.080 0 1 FEAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@]23O)ccc1O 2356763874 WFZIOQOKIOIJHN-YFMMTPMMSA-N 372.373 2.320 0 1 FEAF COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccc(O)c(OC)c1 38280403 BVWLKMJVIWZOCY-DHINHOHASA-N 371.389 2.020 0 1 FEAF O=C(O)CNC(=O)c1cn2cc(NC(=O)c3cccc(Cl)c3)ccc2n1 40754026 ZMNDWVKWTURSRA-UHFFFAOYSA-N 372.768 2.054 0 1 FEAF CC1=C(CCC2=C[C@H](O)OC2=O)[C@]2(C)CCC[C@]3(C)C(=O)O[C@@H](C1=O)[C@H]32 43510319 ODXDQNDOZZLJEE-QJJNNQMVSA-N 360.406 2.206 0 1 FEAF biogenic NC(=O)c1ncc(N[C@H]2CCCNC2)c2nc(-c3ccc(Cl)cc3)cn12 95920753 VUQDZGWRLHHYTB-ZDUSSCGKSA-N 370.844 2.313 0 1 FEAF in-vitro N=C(N)c1ccc(-c2ccc([C@]3(O)CC[C@@](O)(CC(=O)O)CC3)cn2)cc1 299809297 OJTSDYXBOGQPQZ-MXVIHJGJSA-N 369.421 2.000 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(C)c(O)n1 587868165 HJLDQHASQCNAGD-UHFFFAOYSA-N 352.276 2.161 0 1 FEAF Cn1ncc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1N 587660116 CHDJXUFOUKWKEZ-UHFFFAOYSA-N 363.352 2.207 0 1 FEAF N[C@H](Cc1cscn1)c1nc2cc(I)cnc2[nH]1 587028990 CTONCYMNKHTWOA-MRVPVSSYSA-N 371.207 2.262 0 1 FEAF Cc1cnc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c1 587135895 RFNUERWQQYNOKE-UHFFFAOYSA-N 356.329 2.162 0 1 FEAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(O)ncnc3[nH]2)cc1 587244864 NGZRGEZLUWTJKG-UHFFFAOYSA-N 350.338 2.198 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OC(=O)C2)N1 587829263 BORXQOMJQSJNKQ-MLXNANBUSA-N 370.174 2.233 0 1 FEAF CN1C(=O)C[C@@H]2CN[C@@](c3cnn(C)c3)(C(F)(F)F)c3cccc1c32 963016084 CGPRMRLWEGECJL-QLJPJBMISA-N 350.344 2.279 0 1 FEAF C[C@H](Oc1ccc(OCC2CCCCC2)cc1)C(=O)N(CCO)CCO 5848929 LXPPIMNNFIXCCV-INIZCTEOSA-N 365.470 2.226 0 1 FEAF COc1cc(-c2cnn3c(=O)nc[nH]c23)ccc1[S@@](=O)c1ccccc1 13883834 VEJLWJSERUNEJY-AREMUKBSSA-N 366.402 2.260 0 1 FEAF COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@H](C(=O)O)[C@H]2CO)ccc1O 17289293 MAEVGGSLCDAPGW-LPMFXHHGSA-N 374.389 2.112 0 1 FEAF O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(c2ccncn2)CC1 168293814 HBWMUQGDFUEDAL-UHFFFAOYSA-N 367.438 2.349 0 1 FEAF N=c1[nH]c2nc(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2[nH]1 1857598096 AEHODMQBMLUHNX-UHFFFAOYSA-N 360.215 2.061 0 1 FEAF Cn1nc(C(=O)N2CCC3(CC2)OCCO3)c2c1-c1ccsc1CC2 9687529 YIQZCJXCPQLWLR-UHFFFAOYSA-N 359.451 2.226 0 1 FEAF O=C(CCc1nc2cc(Cl)ccc2c(=O)[nH]1)N[C@H](CO)c1ccccc1 103257162 BGUNDSQBAHKEDB-MRXNPFEDSA-N 371.824 2.359 0 1 FEAF O[C@@H]1[C@H](NCC2CCCCC2)[C@H]2CO[C@@H](O2)[C@H]1n1cnc2ccccc21 2356296345 LSDONWDSZCOZBK-OBKDMQGPSA-N 357.454 2.232 0 1 FEAF CCCCN1CCC[C@H]1CNC(=O)c1cc(S(C)(=O)=O)ccc1OC 28758518 LFSXFRQWXYWBKC-AWEZNQCLSA-N 368.499 2.093 0 1 FEAF CN[C@H](C)[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27997547 SARMVEMODGTEEG-GHMZBOCLSA-N 374.416 2.003 0 1 FEAF CN(C)C[C@@H]1O[C@@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@@H]1O 2356691534 NXQGYHSPCDAGKY-GIVPXCGWSA-N 373.497 2.319 0 1 FEAF O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@H](NC(=O)c3cccs3)CO[C@@H]12 2356835707 KUJSCNAHRTXGHE-XOUADPBQSA-N 374.418 2.261 0 1 FEAF N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CS(=O)(=O)O 40404080 RBIRHCWDVXRVGI-ZDUSSCGKSA-N 364.423 2.413 0 1 FEAF Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OC[C@@H]2CCCN2C)co1 82070841 AOGWJYJHTPXHNZ-CABCVRRESA-N 371.437 2.406 0 1 FEAF Cc1ccc(C(=O)N2CC[C@@H]3NC(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc1 25423437 IDUYLZPSEWCVAY-IRXDYDNUSA-N 367.380 2.474 0 1 FEAF biogenic CN(Cc1nc2cc(F)c(F)c(F)c2[nH]1)S(=O)(=O)c1cccnc1 586929074 QULFRJJWJONGQK-UHFFFAOYSA-N 356.329 2.196 0 1 FEAF COc1cc(Br)cc(C=O)c1OCc1nc2ncc[nH]c-2n1 586980596 YIXKEFYVDVGBCW-UHFFFAOYSA-N 363.171 2.467 0 1 FEAF COc1ccc(/C=C/Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(OC)c1 587931044 YIEBTYYDUNRIHO-ONEGZZNKSA-N 373.434 2.483 0 1 FEAF N=C(N)c1cc2[nH]c(-c3cccc(O[C@@H]4CCNC4)c3O)nc2cc1F 13444375 JTWPXAPBCSEZRE-SECBINFHSA-N 355.373 2.099 0 1 FEAF Cn1nc2nc(N)n3nc(-c4ccco4)nc3c2c1Nc1ccc(O)cc1 13494005 LCVAZAVJTMEJQT-UHFFFAOYSA-N 362.353 2.302 0 1 FEAF COc1ccc(OC)c([C@@H]2CCc3c(cnc4nc(N)nc(N)c34)C2)c1 1659297 BGIKLMHTODEELV-SNVBAGLBSA-N 351.410 2.479 0 1 FEAF COC(=O)[C@H]1[C@H]2C[C@@H]3[C@H]4Nc5ccccc5[C@H]4CCN3C[C@H]2CC[C@H]1O 2356464778 BTQSFZZXBMGPAG-ZNTWHAHVSA-N 356.466 2.219 0 1 FEAF C[C@@H](NC(=O)Cn1c(NCCO)nc2ccccc21)[C@H]1C[C@@H]2CC[C@@H]1C2 100462425 IMMAGYGNFBATCG-KLHDSHLOSA-N 356.470 2.381 0 1 FEAF CCC(=O)NC[C@@H]1O[C@@H](Cc2cc(COc3ccccc3)on2)CC[C@H]1O 2356308470 VJILIXNQHXNIFU-QRQLOZEOSA-N 374.437 2.231 0 1 FEAF CO[C@@H]1CC[C@H](c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O 26823768 WVXAUICBQMLGGS-SZVBFZGTSA-N 374.437 2.390 0 1 FEAF C[C@@H]1[C@@H](N(C)C)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 27429865 NVAWPPGMSCPLSJ-QGHHPUGFSA-N 359.401 2.312 0 1 FEAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccc(F)cc2)n1 2356587977 FCVLDYJTNOWOQM-NMLBUPMWSA-N 373.472 2.429 0 1 FEAF Cc1cc(OC(=O)c2c(C)cc(O)c(CO)c2O)c(C)c(O)c1C(=O)O 2356847441 OWDMCBYTWXMTNI-UHFFFAOYSA-N 362.334 2.138 0 1 FEAF Cc1ncsc1CCn1c(=O)c(NCC(C)C)c2n(c1=O)[C@@H](C)CN2 82211677 WFOPZSCNJNDYRN-NSHDSACASA-N 363.487 2.072 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3[C@H](O)[C@@]12O 238749418 ASPNSXLDAYXWRB-GGWRAQRJSA-N 364.438 2.038 0 1 FEAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cnn(C)c1C)[C@@H](C2)C3=O 587432494 PKWWUTMEHMRIKL-XVYOSBPZSA-N 353.422 2.455 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN[C@H](C(=O)O)C2)N1 587793288 NHTDUTXAZVFZDL-IIRLODAESA-N 357.223 2.154 0 1 FEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(F)c(F)cc2[nH]1 586930536 RRZFXSRKUSMPLK-UHFFFAOYSA-N 353.350 2.376 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2C(CC(=O)O)(CC(=O)O)N1 587829133 QRQNALRKYFVESX-ZETCQYMHSA-N 360.179 2.267 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCNC(=O)C4)cc1)[C@@H](C2)C3=O 587440584 BMDJMNADBYSBBU-HRAATJIYSA-N 364.401 2.120 0 1 FEAF Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](OC1CCCC1)CC(=O)N2 1772651291 ZYVFCYREQNVWLK-LLVKDONJSA-N 353.386 2.190 0 1 FEAF Cn1nccc1COc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772595602 CFFRNNBXZXMUEO-UHFFFAOYSA-N 364.409 2.287 0 1 FEAF Cc1ncc(C)n2nc(CC(=O)N3c4nc5ccccc5n4C[C@@H]3C)nc12 1857559718 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N[C@H]1N=CNc2c(CN3C[C@H](O)[C@H](CSc4ccccc4)C3)c[nH]c21 36143635 XVSWVJFTPOVCJR-YEWWUXTCSA-N 357.483 2.011 0 1 FEAF C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OC[C@@H]1CCCN1C 82083925 ZFRHSULATFGQNA-NEPJUHHUSA-N 363.439 2.159 0 1 FEAF C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 95675532 PHXITHQOKRDDQC-ZWQIFLOQSA-N 374.481 2.079 0 1 FEAF C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@@H]2CC[C@H](O)[C@@H]3[C@@]1(C)CC[C@@H]1CCOC1 523041503 GOMXXHNZEQAZQB-UNRGLLAWSA-N 352.471 2.140 0 1 FEAF biogenic Cc1cccc2cc3c(nc12)SC(NCCN1CCOCC1)=NN=C3 98081989 LXBIAWRYHZNSRU-UHFFFAOYSA-N 355.467 2.261 0 1 FEAF Fc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc(N2CCCC2)n1 587177573 NQESYSXKPYNSAD-UHFFFAOYSA-N 350.361 2.340 0 1 FEAF COc1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2n1 586921915 HOPDKYQIXORFHR-UHFFFAOYSA-N 357.435 2.472 0 1 FEAF CCOC(=O)[C@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963232501 OAUIGVDEVSOLJA-XJKSGUPXSA-N 368.311 2.154 0 1 FEAF COCc1nc2c(n1Cc1ccccc1)C(=O)N(C)C1=N[C@@H]3CCC[C@@H]3N12 13763716 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CC(C)(C)C(=O)NC(=O)c1ccc(Cl)c(C(=O)Nc2ncc(O)[nH]2)c1 1857641720 QHLYZFHFHGVQIT-UHFFFAOYSA-N 364.789 2.324 0 1 FEAF O=C(Cc1ccc(Cl)cc1)NCCNC[C@@H](O)COc1ccccc1 28756239 SPAMTDUYCILZHK-QGZVFWFLSA-N 362.857 2.028 0 1 FEAF O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCc3ccccn3)ccc21 4905725 BSYJIUMQMQBMEY-UHFFFAOYSA-N 371.462 2.249 0 3 FEAF O=C(NC[C@@H]1OC[C@H](NC2CCC(F)(F)CC2)[C@H]1O)Nc1ccccc1 2356287227 FMBCXEFOFCZZKY-HRCADAONSA-N 369.412 2.104 0 1 FEAF O=C(/C=C/c1ccccc1)Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1 103198189 HBYGLMGQXJPSQP-YCABEKBOSA-N 352.415 2.221 0 1 FEAF COc1ccc(OS(=O)(=O)c2ccc(N3CCN(C)C3=O)cc2)cc1 118394916 XIUCUZSOXGKDHR-UHFFFAOYSA-N 362.407 2.335 0 1 FEAF CCCc1cc(=O)[nH]c(N2NC(C)=C[C@@H]2NC(=O)c2ccccc2Cl)n1 66258281 HUBQUXNJBHOMAK-OAHLLOKOSA-N 373.844 2.360 0 1 FEAF O[C@H]1[C@H](O)CO[C@@H](n2cc(Cc3ccccc3)c3cccc(Cl)c32)[C@@H]1O 66112455 JHLRXDYRPKIKNV-GSEOLPGOSA-N 373.836 2.497 0 1 FEAF Cc1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2cccc(Cl)c2)n1 2356708952 JFQALEVOTKYULN-MANSERQUSA-N 361.873 2.129 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CCC(=O)[C@@H](C)[C@]12C 86010770 WKMBTXJFBQEZHO-FVDMWVFWSA-N 362.422 2.452 0 1 FEAF in-man Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4nncn4c3)CC2)c1 198798127 QLVQGGZQWPXPMI-UHFFFAOYSA-N 367.482 2.260 0 1 FEAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1NC(=O)C=C(C(F)(F)F)N1)CC2=O 587464672 VRMIMMMYFZANPC-MLGOLLRUSA-N 370.327 2.170 0 1 FEAF CCNC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)C1 13649577 VDLUURWHKGLOHH-LBPRGKRZSA-N 361.417 2.295 0 1 FEAF N#CN1CCO[C@H](C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)no2)C1 1857551903 UWWNACHRAHSQSE-ZDUSSCGKSA-N 366.299 2.481 0 1 FEAF CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cccc(OS(N)(=O)=O)c1 1857614182 AXPZCNBXQRVLIU-GOSISDBHSA-N 373.434 2.275 0 1 FEAF O=C(CCn1c(=O)[nH]c2ccsc2c1=O)Nc1ccc(F)cc1F 2460830 UJMXWQAUOHXTBX-UHFFFAOYSA-N 351.334 2.058 0 1 FEAF CN(C)CCC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccccc21 3803500 DGEKMKWXJJYBPY-UHFFFAOYSA-N 359.451 2.442 0 1 FEAF COc1ccccc1N1CCN(CCNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 100724839 MKNWWWHCPYCIKA-KZNAEPCWSA-N 357.498 2.370 0 1 FEAF CC(=O)Oc1ccc2c(c1)c1c(=O)oc(=O)[nH]c1n2Cc1ccccc1 28015644 DIIZRWSXVOZIQX-UHFFFAOYSA-N 350.330 2.410 0 1 FEAF C[C@H](S[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O 36222680 JVZOJVSKVSEJNC-QEJZJMRPSA-N 365.451 2.270 0 1 FEAF CC1=C(CC[C@]2(O)COC(=O)C2)[C@]2(C)CCC[C@]3(C)C(=O)O[C@@H](C1=O)[C@@H]32 14499776 JRBMIKVAUKDRCI-HHUCQEJWSA-N 362.422 2.082 0 1 FEAF biogenic COC(=O)[C@@H]1CO[C@](C)(O)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 13358783 VMUNRKIMYNVTQO-ACQLLZESSA-N 370.449 2.231 0 1 FEAF biogenic COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1 220971632 KYBAGWFVYGVKLM-ZDUSSCGKSA-N 369.425 2.270 0 1 FEAF NC(=S)N1N=C(c2c(O)c3ccccc3oc2=O)C[C@H]1c1cccnc1 49068682 QZOMHTZNTJPQPS-ZDUSSCGKSA-N 366.402 2.288 0 1 FEAF O=C(CCCNC(=O)c1nc(-c2nccs2)sc1C1CC1)NO 147364896 XNTVOGLLPBCWKZ-UHFFFAOYSA-N 352.441 2.159 0 1 FEAF C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1Cl)C(=O)O 95558670 QVCWIYHEXCIUPU-AWEZNQCLSA-N 368.817 2.492 0 1 FEAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@H]21)[C@@](O)(CO)C3 95635856 BOUZNRKTKNKATH-OIKODGHQSA-N 366.454 2.128 0 1 FEAF in-vitro C[C@]12c3ccc4c(c3CN[C@H]1c1cc3c(cc1C[C@H]2O)OCO3)OCO4 33831977 URURFJJXWHZUAJ-YZGWKJHDSA-N 353.374 2.163 0 1 FEAF biogenic COC(=O)c1cccc(C(=O)NCCCN=c2[nH]c3ccccc3[nH]2)c1 473135251 NATAHXMGWNTKDB-UHFFFAOYSA-N 352.394 2.003 0 1 FEAF Clc1c[nH]c2nc(-c3cnn4cc(Br)cnc34)nc-2n1 587006688 QQTANXSETCRRIJ-UHFFFAOYSA-N 350.567 2.430 0 1 FEAF COC(=O)C1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC(OC)(OC)C1 587402482 DNZNOQFQBUWECI-KRWDZBQOSA-N 363.410 2.243 0 1 FEAF Cc1c(O)ccc2c1[C@@]1(N[C@H](C(=O)O)C2)C(=O)N(C(C)C)c2ccccc21 963471153 MVTFEHCHIQRBMD-YCRPNKLZSA-N 366.417 2.298 0 1 FEAF CN(C[C@H]1COCCO1)C(=O)c1cc(COc2c(F)cccc2F)on1 12387277 ZYWJSIWHVSCLCS-LBPRGKRZSA-N 368.336 2.019 0 3 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4CC[C@H](C3)N4C)cc21 13650294 ZNZXELIYKDHAJA-TXEJJXNPSA-N 359.401 2.142 0 1 FEAF CC(C)N1CNC(=O)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2 13782359 YCKVVNHIAYNYHI-UHFFFAOYSA-N 361.461 2.421 0 1 FEAF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@H]2C(=O)N(C)C(=O)[C@H]21 1857558492 KOZKGCYTRIIXBI-KEYYUXOJSA-N 364.338 2.421 0 1 FEAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1nccn1C)CCC3 1857588315 PKNUFGUZFDXAHW-CQSZACIVSA-N 354.410 2.247 0 1 FEAF CC[C@H](C)C=C(C)C=Cc1cc2c(cn1)C(=O)[C@@](C)(O)[C@@]2(O)C(=O)OC 2356348986 OCPNGNBXODBFSW-KNMUDHKVSA-N 359.422 2.395 0 1 FEAF Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C(=O)O)SCCS3)cc1 103249720 YIVUZDIRWOBHSX-LBPRGKRZSA-N 359.494 2.019 0 1 FEAF CN1CCc2cc3c(cc2[C@H]2O[C@@H](O)c4c(ccc5c4OCO5)[C@H]21)OCO3 100771607 XUYAYNRYVXHNOQ-QWFCFKBJSA-N 369.373 2.435 0 1 FEAF endogenous,in-man Cc1ccc(CNC(=O)Cn2cnc(C(=O)Nc3ccc(C)c(C)c3)n2)o1 61945214 VFZJSXCBYJPCDH-UHFFFAOYSA-N 367.409 2.365 0 3 FEAF O=C(O[C@H]1CCCC[C@H]1n1cc(CN2CCOCC2)nn1)c1ccccc1 82157473 PNRUIYWEALQFKP-MOPGFXCFSA-N 370.453 2.451 0 1 FEAF CC[C@@H](C)NC(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc(F)cc1 82141176 UPVBRNSSLCNHES-GFCCVEGCSA-N 373.432 2.359 0 1 FEAF CC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3O)CC2)cc1 144863153 ZJDIVFMFAZLGTM-UHFFFAOYSA-N 353.422 2.356 0 1 FEAF O=C(N[C@@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 653737719 HMBAEAQKWTXBHE-QGZVFWFLSA-N 363.373 2.395 0 1 FEAF O=C1CC=C(c2nc3ccc(CO)cc3[nH]2)NN1Cc1ccc(F)cc1 587162535 CYJFCOYWWXUSSB-UHFFFAOYSA-N 352.369 2.472 0 1 FEAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N2CCCC2=C1C(=O)O 587485246 QYEMRAXBMHRRGM-FQEVSTJZSA-N 371.389 2.414 0 1 FEAF CC1(C)OCCn2c1nc(-c1cn(Cc3ccc(F)cc3)cn1)c(O)c2=O 68267096 YFUBWAVKOWWLCT-UHFFFAOYSA-N 370.384 2.265 0 1 FEAF O=C(O)c1nc(O)nc(O)c1CCCNC(=O)c1cccc2ccccc12 1772597915 VZZHRDQETOYPBN-UHFFFAOYSA-N 367.361 2.102 0 1 FEAF O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 11873760 CSHSNUPIDIUETJ-CYBMUJFWSA-N 366.343 2.418 0 3 FEAF CC1=C2[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@]3(C)[C@@H](CC[C@H](O)[C@@H]3C)C[C@H]2OC1=O 13486244 MTYSOJAHTIASFA-IMRIKLNESA-N 364.438 2.135 0 1 FEAF in-man O=C(O[C@@H]1C(=O)C[C@H](O)C[C@H]1OC(=O)c1ccccc1)c1ccccc1 13558382 SDQKCAAQLNQFLF-CGTJXYLNSA-N 354.358 2.161 0 1 FEAF O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1S(=O)(=O)c1cccnc1 201448557 NODOWOPRCUJCIJ-HNNXBMFYSA-N 367.377 2.152 0 3 FEAF NC(=O)c1c(N)nn2cc(N3CCC[C@@H]3c3cc(F)ccc3F)cnc12 1857568349 CPIRXBOZLRFATD-CYBMUJFWSA-N 358.352 2.030 0 1 FEAF C[C@@]1(CO)[C@H]2CC=C3C[C@H]4C[C@]3(CC[C@]4(O)C(=O)O)[C@]2(C)CC[C@H]1O 2356326241 VZCNFBDSJFYVOH-SYKPSTJLSA-N 350.455 2.098 0 1 FEAF O=S(=O)(Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1)C(F)(F)F 103272254 MSFPOPRWJNALHO-JTQLQIEISA-N 363.361 2.075 0 1 FEAF COCCN1CCN(C(=O)c2cc(COc3cc(C)ccc3C)on2)CC1 20785336 UYCPDMLYFSTJNK-UHFFFAOYSA-N 373.453 2.275 0 3 FEAF COc1cc([C@@H]2CN=C(c3ccc4[nH]c(=O)[nH]c4c3)O2)cc(OC)c1OC 27525952 AIJMWGCHASIGJV-INIZCTEOSA-N 369.377 2.400 0 1 FEAF OCCOCCN1CCN(C2=Nc3ccccc3Cc3sccc32)CC1 27299669 XXKFWSCVRFVFBA-UHFFFAOYSA-N 371.506 2.357 0 1 FEAF C[C@H]1CN(C2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CCN1 64705100 GNYNUVPBDFJHOO-VIFPVBQESA-N 373.762 2.323 0 1 FEAF CC=C1CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@H]1[C@H](CO)C(=O)OC 2356635267 UZSZSSQLCSRDPY-JOMPHRNESA-N 356.466 2.386 0 1 FEAF O[C@@]1(Cc2ccc3c(c2)OCO3)COC[C@@H]1Cc1ccc2c(c1)OCO2 2356648222 SGVLWHWILVKVNS-YWZLYKJASA-N 356.374 2.307 0 1 FEAF O=C(CN1CCCCCC1)NN1C(=O)c2cccc3cccc(c23)C1=O 31847706 NYPMVIGLXGJBFV-UHFFFAOYSA-N 351.406 2.343 0 1 FEAF Cc1c(C#N)cc(Cl)c2nc(CCc3nc(N4CCCC4)nn3C)nn12 210695380 SRWMBFZXUDEYIN-UHFFFAOYSA-N 370.848 2.077 0 1 FEAF O=C(CCc1nc(-c2ccc(F)cn2)no1)NC1=C(C(=O)O)CCCC1 49051619 KBXDUIPBMJKDGA-UHFFFAOYSA-N 360.345 2.232 0 1 FEAF C[C@H](O)Cn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21 49785865 FKNFYPIAOYTWBT-JTQLQIEISA-N 359.817 2.177 0 1 FEAF O=C(c1cccc(F)c1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 25433858 RLZIDPYQNOYLBM-KRWDZBQOSA-N 367.380 2.115 0 1 FEAF biogenic COc1ccccc1CN1C[C@@H](OC)CN(C(=O)OCC(C)C)CC1=O 299851467 GSPZXGZGJVOHPS-MRXNPFEDSA-N 364.442 2.147 0 1 FEAF O=C1C[C@@](c2ccc3c(c2)OCO3)(C(O)O)Oc2c1ccc1c2CCCC1 587535991 PSUVHDIAVWDAHW-OAQYLSRUSA-N 368.385 2.466 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 587154830 SIEWCKVRXBKQJC-ACJLOTCBSA-N 374.441 2.294 0 1 FEAF CNS(=O)(=O)c1ccc(CCc2nc3cc(Cl)ncc3[nH]2)cc1 586947035 RIOQCOZJKAOWFT-UHFFFAOYSA-N 350.831 2.305 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2c1 586907773 WUCSNPCYRKNJDY-MHWRWJLKSA-N 369.402 2.482 0 1 FEAF C[C@@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174746 RXYQHWSEXHPXCD-SFHVURJKSA-N 364.340 2.306 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C[C@H](C)[C@@H](C(=O)O)[C@@H](C(=O)O)C1)[C@@H](C2)C3=O 587450629 NSFFQQNAJWNMMU-VCXFCEFOSA-N 360.362 2.013 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(S(N)(=O)=O)ccc1C)O2 587410327 QRKQZJPMIYLWLX-GOSISDBHSA-N 360.435 2.414 0 1 FEAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cnc3n2CCC3)N1 962968698 DIOYRSZERFQJMF-BMIGLBTASA-N 353.756 2.449 0 1 FEAF O=C(O)[C@](F)(Cc1cnc2cc(-c3ccccc3)ccn12)P(=O)(O)O 1772578086 BGPIJPLPAPWHBP-INIZCTEOSA-N 364.269 2.472 0 1 FEAF COc1ccccc1N1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 13741009 MKNWWWHCPYCIKA-RCCFBDPRSA-N 357.498 2.370 0 1 FEAF COc1cc(C[C@H]2C(=O)OC[C@H]2[C@@H](O)c2ccc(O)c(OC)c2)ccc1O 14646813 UKHWOLNMBQSCLJ-LPMFXHHGSA-N 374.389 2.180 0 1 FEAF biogenic,in-vitro NS(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccc4ncccc4c32)cc1 14945908 XVXBWZZWJTYKPA-UVTDQMKNSA-N 366.402 2.287 0 1 FEAF CCOC(=O)C1=NO[C@@](C(=O)Nc2cc(C)cc(C)c2)(C(=O)C2CC2)C1 203474060 VVHNQELELJNVPA-LJQANCHMSA-N 358.394 2.299 0 3 FEAF COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ccc(Cl)cc21 205477220 ZKLPYFFPWPJFDT-UKRRQHHQSA-N 365.905 2.273 0 1 FEAF Nc1ccc2oc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc2c1 1857555434 YKGMAZAGUZSYLG-UHFFFAOYSA-N 366.377 2.101 0 1 FEAF COc1nc(NCC(C)C)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1 3644986 KHFIBPFULPFYKA-UHFFFAOYSA-N 368.397 2.286 0 3 FEAF CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCO)cc1 4041278 XWHBMTPZYUICIB-WBVHZDCISA-N 359.451 2.014 0 1 FEAF CC[C@H](C)c1cc(C(=O)O)c(=O)n2cc(F)c(N3CC[C@H](N)C3)c(C)c12 6412406 NDDFFKJPBNKNNI-JQWIXIFHSA-N 361.417 2.496 0 1 FEAF CS(=O)(=O)c1ccc(CN2C[C@H]3C[C@H]2C(=O)Nc2ccccc2O3)cc1 2356290408 RMWVPXNGVBWRHK-PBHICJAKSA-N 372.446 2.064 0 1 FEAF O=C(Nc1cccc(Cl)c1)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 61895929 PSGXXLLKTVQQDW-RWMBFGLXSA-N 354.815 2.232 0 3 FEAF COc1cc(NCCCn2cnc3c(OC)ncnc32)cc(OC)c1OC 61922663 RVXSOBFVGBNGOZ-UHFFFAOYSA-N 373.413 2.363 0 3 FEAF NC(=O)c1ccc2c(c1)nc(Nc1ccccc1)n2CCN1CCOCC1 82191441 WBFGYABORKTJKD-UHFFFAOYSA-N 365.437 2.211 0 1 FEAF COc1ccc(-n2cc(-c3ccc4c(c3)C(=O)NCCO4)c(N)n2)cc1 45373293 VMGQJHNQXDZODH-UHFFFAOYSA-N 350.378 2.252 0 1 FEAF Cc1nnc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)s1 473128513 CAIWJHRYFVPEML-SECBINFHSA-N 358.402 2.461 0 1 FEAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3ccccc3cc2[nH]1 586939644 QKXVFQBFKHOBEC-NSHDSACASA-N 355.423 2.489 0 1 FEAF COC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591468 CNFGKOBKVXANRA-LPHOPBHVSA-N 358.346 2.302 0 1 FEAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cnncc2[nH]1 586936946 OJDUMGQVDWGWNH-GFCCVEGCSA-N 363.468 2.126 0 1 FEAF COc1cc([C@@H]2NCCc3ccc(O)cc32)cc(OC)c1OCC(=O)O 963329629 PWSAOCFJMCTIHI-SFHVURJKSA-N 359.378 2.108 0 1 FEAF CCOc1ccc2sc(S(C)(=O)=O)nc2c1NC(=O)CNC(C)C 1772594229 PKCNXRZUZZHSBF-UHFFFAOYSA-N 371.484 2.035 0 1 FEAF N#CN1CC[C@@H](N2Cc3ccc(-c4ccccc4)cc3NS2(=O)=O)C1 1857577032 ZIJRPVRJPXVSHJ-QGZVFWFLSA-N 354.435 2.381 0 1 FEAF CS(=O)(=O)c1ccc2c(c1)nc1n2[C@H](CNCc2ccccc2)COC1 2356298769 AIDHXIVQNXZEGO-OAHLLOKOSA-N 371.462 2.301 0 1 FEAF C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(C(N)=O)c4)cc3c21 28902096 GJAZEBCLMQRBQD-SNVBAGLBSA-N 362.389 2.366 0 1 FEAF C[C@H]1CCN(C(=O)[C@@H]2CCC(=O)C2)C[C@H]1N(C)c1ncnc2[nH]ccc12 38444253 XLWYJSMYNALODL-WOSRLPQWSA-N 355.442 2.000 0 1 FEAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)N1CCCC1)CC3 82196186 MLRKAERGEHEKDV-UHFFFAOYSA-N 367.409 2.096 0 1 FEAF CC(C)[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82206632 FKSXVEAWXAABMY-INIZCTEOSA-N 372.444 2.469 0 1 FEAF Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)cc(C(N)=O)n1 149877832 DDKMBOPQGYRPCH-MRXNPFEDSA-N 374.828 2.056 0 1 FEAF CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-] 96913458 SYAVBZYFJSGREZ-UHFFFAOYSA-N 370.205 2.321 0 1 FEAF NC(=O)c1cccc2[nH]n(C3CCN(C[C@@H]4CC=CCC4)CC3)c(=O)c12 146724688 MHOBIUHIHRMJRE-CQSZACIVSA-N 354.454 2.422 0 1 FEAF CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)Nc3ccccn3)ccc21 621430798 KTUOVMOCKHRANK-UHFFFAOYSA-N 372.233 2.489 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1nc(Br)cnc1N)[C@@H](C2)C3=O 587416916 GEZVIJFOYYCHBG-RMLUDKJBSA-N 362.183 2.319 0 1 FEAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(O)ncnc2[nH]1 587114166 WZUPPMIKAOCNNQ-OAHLLOKOSA-N 365.315 2.477 0 1 FEAF Cn1nccc1CS(=O)(=O)Cc1nc2cccc(Br)c2[nH]1 586922054 PJEQMMJIPKMEBW-UHFFFAOYSA-N 369.244 2.174 0 1 FEAF COC(=O)c1cc(O)c2c(=O)c(O)c(-c3ccc(OC)c(O)c3)oc2c1 13383465 OLRFQFIJODVBCC-UHFFFAOYSA-N 358.302 2.372 0 1 FEAF biogenic,in-vitro Cc1c(O)c(C)c2c(c1O)C(=O)[C@@H](Cc1ccc3c(c1)OCO3)[C@@H](O)O2 13481975 HUGFWFLIFYXRSJ-WYRIXSBYSA-N 358.346 2.196 0 1 FEAF biogenic N#CN1CC[C@@H](N2Cc3ccccc3N(Cc3ccccc3)S2(=O)=O)C1 1857573181 GNZPLAFBDABVBX-GOSISDBHSA-N 368.462 2.309 0 1 FEAF CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1cnc2ccccc2c1 1857757020 MMSDNBWQDWCSEY-SFHVURJKSA-N 366.421 2.429 0 1 FEAF C=C1C(=O)O[C@@H]2C=C(C)[C@@H](O)CC=C(C=O)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 253723754 VHJHOLGPLWDVRH-VDJYRPJRSA-N 362.422 2.268 0 1 FEAF CC1CCN(CCNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)CC1 6948128 MUUMAWQQDPMYHA-UHFFFAOYSA-N 351.834 2.096 0 1 FEAF COc1ccc2c(C)nc(N3CCC[C@@H](C(=O)N[C@H]4CCOC4)C3)nc2c1 104339418 JYHOJADUAALJLS-CABCVRRESA-N 370.453 2.068 0 1 FEAF COc1cc2c(cc1O)CCN1C(=O)c3c(cc(OC)c(OC)c3O)C[C@@H]21 1911585158 NWUUXHPIFAGJPK-ZDUSSCGKSA-N 371.389 2.419 0 1 FEAF COc1cc(C(C)=O)ccc1OC[C@H](O)CNCc1ccc2c(c1)OCO2 1911586605 SEEFIFSYPVHTCY-MRXNPFEDSA-N 373.405 2.156 0 1 FEAF CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)[C@H]1O 29477398 QRMYFVCKXAQEDN-ZUHHCLADSA-N 372.417 2.418 0 1 FEAF CCC(=O)N1CC[C@](C)(C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 61904177 LZJBRFSGLYRHHP-SFHVURJKSA-N 350.415 2.300 0 3 FEAF CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@]5(CC[C@H]12)CC(=O)O[C@]453 13434167 GVFCLBCTHLIFGT-VRXWPRPYSA-N 368.433 2.288 0 1 FEAF biogenic Cc1cccc2nc(-c3cccnc3NCCN3CCOCC3)oc(=O)c12 43080169 VQKOCGWBRSNFII-UHFFFAOYSA-N 366.421 2.303 0 1 FEAF CCN(C[C@H](C)NC[C@H](O)c1ccc(O)c(C(N)=O)c1)c1ccccc1 40514374 WDHNSTCZVPHUHW-LIRRHRJNSA-N 357.454 2.029 0 1 FEAF NC1=N[C@]2(c3cc(-c4cncnc4)ccc3OCC23CC3)C(F)(F)CO1 149270527 QZZCXMLMCPDROH-SFHVURJKSA-N 358.348 2.492 0 1 FEAF O=C1c2cc(Br)cc3[nH]nc(c23)CN1[C@H]1CN2CCC1CC2 96169939 QUKROROIEGZTMG-AWEZNQCLSA-N 361.243 2.375 0 1 FEAF CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@H]1C2 299813562 SGJNLUHSLLRODE-OBJOEFQTSA-N 366.487 2.469 0 1 FEAF Cc1cc(=O)oc2cc(OC[C@@H](O)Cn3nnc4ccccc43)ccc12 299835273 CVOCQUHWTKXCRA-ZDUSSCGKSA-N 351.362 2.286 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-[n+]3cc(=O)o[nH]3)cc1)O2 587390838 RTHMWOBUSAFHDF-LJQANCHMSA-O 352.370 2.016 0 1 FEAF CCOC(=O)C(=O)C[C@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 587396198 XQMNYCCFELSATR-FQEVSTJZSA-N 368.389 2.355 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CNCn3ccc(N)c32)N1 587770867 RQMYGTLRIVCFJM-JDNHERCYSA-N 365.250 2.310 0 1 FEAF CC(C)(C)OC(=O)N1CC[C@@](F)(c2ccc3c(O)nc(O)nc3n2)C1 587368683 VFKRIBIIVCLDNR-INIZCTEOSA-N 350.350 2.242 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1 587969994 WSQANGOBCLDBJV-WIYZNGBFSA-N 373.478 2.460 0 1 FEAF CC(C)c1nn(C)c2c1[C@]1(NCC2)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@@H]2[C@H]4[C@@H]3[C@H]21 962915039 SYYSULQZQFEGQS-ZIJKVSNNSA-N 367.493 2.015 0 1 FEAF Cc1ccccc1C1(CC(=O)N2CC(O)C2)C2CC3CC1CC(C2)C3O 1772652259 FFPGBNZNJMICKT-UHFFFAOYSA-N 355.478 2.253 0 1 FEAF COc1c(C(C)C)ccc2c1CC[C@@]1(O)C3=C(C(=O)OC3)[C@@H](O)C[C@]21C 1772658205 ZEOPMEWJRWYRKA-ZLGUVYLKSA-N 358.434 2.372 0 1 FEAF CONc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1 169693410 IIORLQYWPJCLMA-MRXNPFEDSA-N 367.409 2.217 0 1 FEAF COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(OC)ccc(OC)c32)cc1 205722996 FYMRVVQYPVXIDA-IBGZPJMESA-N 357.362 2.125 0 1 FEAF O=C(/C=C/c1cccc(O)c1)NCCNC(=O)/C=C/c1cccc(O)c1 1857555766 UFFBLRVYTSTBFX-FIFLTTCUSA-N 352.390 2.057 0 1 FEAF CCCn1c(NC(=O)c2ccnn2CC)nc2cc(C(N)=O)cc(OC)c21 1857565723 BGOMOJBGMYPZEO-UHFFFAOYSA-N 370.413 2.023 0 1 FEAF CCN1CCN(N(Cc2ccncn2)[C@@H]2CCCc3cccnc32)CC1 1857646319 STTQFEWOOMJOTH-LJQANCHMSA-N 352.486 2.304 0 1 FEAF O=C(Nc1ccc([N+](=O)[O-])cc1)C1=C2c3ccccc3S(=O)(=O)N2CC1 17193743 ZATCJSJPSZNZNR-UHFFFAOYSA-N 371.374 2.353 0 1 FEAF O=C(NC[C@@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773805 PODWQGNUASPEEY-OAHLLOKOSA-N 356.353 2.231 0 1 FEAF CC=C[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@@H]2[C@]1(C)C(=O)[C@H]1C(=O)[C@@H](CO)N(C)C1=O 2356440007 JTDBLZHVKWRMGZ-CYEVOCMCSA-N 373.493 2.395 0 1 FEAF O=C(O)c1ccc(CN2C[C@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)cc1 2356516372 VVKCKHPQPJRUFV-HOCLYGCPSA-N 370.384 2.395 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C 2356746480 YOQIGAVHLYFIAF-OLTSQQPDSA-N 364.438 2.243 0 1 FEAF CC=C1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]4([C@H]2C(=O)OC)[C@H]2[C@@H](OC)ON3[C@@H]12 2356803374 XAPXZORJNSUNGB-JNLLXDQJSA-N 366.417 2.366 0 1 FEAF CCc1ccccc1NC(=O)CNC(=O)COc1ccccc1C(=O)OC 7096788 ODRIBEFRIWNYQC-UHFFFAOYSA-N 370.405 2.169 0 1 FEAF biogenic COC(=O)c1ccc(N2N=[N+](C34CC5CC(CC(C5)C3)C4)N[C@H]2O)cc1 45338929 NCCINHKMRHQEGH-HPXCNGPASA-N 357.434 2.422 0 1 FEAF CCCCNC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 199207902 ZGYHZVOFRKAVPA-LJQANCHMSA-N 353.422 2.460 0 3 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N1CCOCC1 587870022 XXGPPRNCSVXTMM-UHFFFAOYSA-N 372.372 2.438 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587232493 XVLFRJUDHPZXNN-VXGBXAGGSA-N 363.389 2.437 0 1 FEAF O=C1Nc2ccccc2O[C@H]1CC(=O)n1ncc2ccc(Cl)cc2c1=O 587654593 MCXLPRFUPHBIHO-HNNXBMFYSA-N 369.764 2.480 0 1 FEAF CCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169373239 STRMKLVHDMFVTN-JVSLWNOPSA-N 355.434 2.226 0 1 FEAF O=C(O)C[C@@H]1OCC=C2CN3CC[C@@]45c6ccccc6N[C@@H]4[C@@H]1[C@@H]2C[C@@H]35 640280 SQIFUSVCLFHGOI-XVEMZMANSA-N 352.434 2.242 0 1 FEAF CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1NC=O 839633 UAAYCFMPECWIOA-UHFFFAOYSA-N 356.787 2.124 0 1 FEAF Cc1ncc(COP(=O)(O)O)c(CNc2cccc(C(=O)O)c2)c1O 2047892 WSOQXCGRIUHULI-UHFFFAOYSA-N 368.282 2.015 0 1 FEAF in-vitro C[C@H]1Sc2c(C(=O)O)c(=O)c3cc(Cl)c(N4CCNCC4)cc3n21 27524643 YOFABCNLJDKGDM-MRVPVSSYSA-N 365.842 2.387 0 1 FEAF Cc1nc([C@H](O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)c(C)o1 26576482 AIVXGMLGIUUFHH-ZIAGYGMSSA-N 362.407 2.298 0 1 FEAF O=S(=O)(c1ccc(Cl)cc1)N1CCOC[C@@H](Oc2cccnc2)C1 2356302350 SLVKFCKPZRVMQC-HNNXBMFYSA-N 368.842 2.204 0 1 FEAF Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](O)[C@@H]2C/C=C\CCC(=O)O)cc1 28228237 RTAXMHWEUVJSHM-MAMSXEDKSA-N 367.467 2.224 0 1 FEAF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC(=O)N3C[C@H]2OC 15203636 GGVTWFRUJRJVGT-VIZZQPHQSA-N 357.406 2.344 0 1 FEAF biogenic C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCC(C)(C)N(C)C 82083900 RNIPZWKPRUGDIU-NSHDSACASA-N 365.455 2.405 0 1 FEAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 40845868 VWCMAGONQJHIJZ-APWZRJJASA-N 373.932 2.136 0 1 FEAF COc1ccc(OC)c(CN2C(=O)CSC[C@]2(C)C(=O)NC(C)C)c1 199230979 OVGWXJSPZJJWTH-GOSISDBHSA-N 366.483 2.063 0 3 FEAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@H](CO)[C@H]2OC(=O)C(O)=C2O)cc1 221742461 YNKKAGIHMCBODM-FABXCBLPSA-N 364.394 2.146 0 1 FEAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cncnc2[nH]1 586935884 JMIFUGBVDBEWKU-LBPRGKRZSA-N 363.468 2.126 0 1 FEAF COC(=O)[C@@]1(c2c[nH]c3ncccc23)CC(=O)c2cc(C)cc(N)c2O1 587395723 GTKMVKSCUJUVHV-IBGZPJMESA-N 351.362 2.487 0 1 FEAF Nc1ccn2c1[C@]1(CNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589610 VXTVATWNMLZIIK-OXJNMPFZSA-N 363.373 2.194 0 1 FEAF CN(C)S(=O)(=O)c1ccc(-c2nc3nccc(Br)c3[nH]2)o1 586931890 OMCMCGPNWKFHCQ-UHFFFAOYSA-N 371.216 2.231 0 1 FEAF COc1ccccc1CNC(=O)Cn1sc2nc(C)cc(C)c2c1=O 5036179 CKSKGTGPGMRIAT-UHFFFAOYSA-N 357.435 2.400 0 1 FEAF CCO[C@@H]1OC(C(=O)N2CCN(C)CC2)=C[C@H](C(C)(C)C)[C@H]1CCCO 13656938 FCKCOMVIDYROGA-JTDSTZFVSA-N 368.518 2.088 0 3 FEAF Fc1ccccc1Cc1noc(CN2CCC[C@H](CN3CCOCC3)C2)n1 19229415 LGIZPOYPERMONI-MRXNPFEDSA-N 374.460 2.344 0 3 FEAF O=C(N=c1cc[nH]cc1)c1ccc(OCc2ccccc2)c(-n2cnnn2)c1 1857555823 CKDSFVZXWKJNJD-UHFFFAOYSA-N 372.388 2.311 0 1 FEAF FC(F)(F)c1cccc(-c2nc(=NCC3CC3)[nH]c(=NCC3CC3)[nH]2)n1 1857770037 KNDBYTOOVAJFRN-UHFFFAOYSA-N 364.375 2.440 0 1 FEAF CN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2466617 KMXPPTAFUIKKDW-UXHICEINSA-N 363.461 2.201 0 1 FEAF CCOC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)cc4[C@@]2(CCN3C)CC1=O 100994175 WUGZFHIGKDHJFG-CQSHLORDSA-N 357.450 2.352 0 1 FEAF CO[C@H]1[C@H]([C@H](CC(=O)O)NCC[C@@H](C)CC(C)C)O[C@@H]2OC(C)(C)O[C@H]12 103296917 PQWSTYMWWPTFKP-RLRVGIHLSA-N 373.490 2.383 0 1 FEAF C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccccn2)CC1 117387129 ONCJPEMKOFZNPQ-AWEZNQCLSA-N 364.449 2.362 0 1 FEAF CC=C1CN(C)C[C@]2(C(=O)OC)[C@@H]1CC(=O)c1[nH]c3ccccc3c1[C@H]2O 2356694846 KYZVNPNCPMAADF-MMACOIQUSA-N 368.433 2.455 0 1 FEAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@@H]1CCCN(c2ncccn2)C1 2356698908 UNOKPSAHWJNFTC-OTWHNJEPSA-N 371.529 2.416 0 1 FEAF CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2sccc2C)C1 61907818 IUIOEYMSBBMGQQ-MRXNPFEDSA-N 372.512 2.155 0 3 FEAF O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)cc1 73140328 BKDOGPZPQIXCIG-UHFFFAOYSA-N 356.407 2.498 0 1 FEAF CS(=O)(=O)c1cccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 320716497 HXFSXKLUKRVMRN-UHFFFAOYSA-N 350.421 2.037 0 1 FEAF CCOC(=O)[C@H](C)NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 40846600 WTFXAXCWSNQSAP-ZFWWWQNUSA-N 354.406 2.274 0 1 FEAF CCCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)NC(C)C 95895690 CACWLYYLTOIJRH-OTWHNJEPSA-N 361.486 2.192 0 1 FEAF C[C@H]1OC=C(C(=O)O)[C@H]2C[C@@H]3N(CC[C@@]34Nc3ccccc3C4=O)C[C@H]21 95914785 XJBQLDFXLQMHKY-HKAXUKBASA-N 354.406 2.131 0 1 FEAF biogenic,in-vitro O=C(OC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)N1CC[C@H](c2cc[n+]([O-])cc2)C1 147452945 QYJRVXOBMULXMW-QXYBWBOLSA-N 358.438 2.186 0 1 FEAF O=C(c1nc2sccn2c1Cl)N1CCN(C2CCCC2)C(=O)C1 299852584 UZDINYIZJRGMDV-UHFFFAOYSA-N 352.847 2.276 0 1 FEAF CCOC(=O)CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587560250 ZEVGXSJAYUQNLG-UHFFFAOYSA-N 355.350 2.435 0 1 FEAF C[C@H](Oc1ccc(CCc2ccc3c(O)nc(O)nc3n2)cc1)C(=O)O 587556561 WNLYNPURUQCODN-JTQLQIEISA-N 355.350 2.073 0 1 FEAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1=NC(=O)C(=O)N1 587860438 WJYGKJOIIYHGKG-UHFFFAOYSA-N 353.165 2.116 0 1 FEAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3COCCO3)nc2c1 586909559 GVNMIJHTOZOEAK-SNVBAGLBSA-N 369.215 2.460 0 1 FEAF COC(=O)c1cccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c12 587224459 IQWIYIQZANTWLF-GFCCVEGCSA-N 353.378 2.433 0 1 FEAF Cc1cc2ccccc2n1CCNC(=O)c1cccc(S(N)(=O)=O)c1 169351823 LXPQGWYHXFWEQH-UHFFFAOYSA-N 357.435 2.027 0 1 FEAF CCCCc1nc2c(=N)[nH]c3cc(C(=O)OC)ccc3c2n1CC(=O)OC 1857631566 REOYIWOYPMJBTH-UHFFFAOYSA-N 370.409 2.299 0 1 FEAF COC(=O)[C@H]1CC2=C(CN1Cc1ccc(C(F)(F)F)cc1)N(C)[CH]N2 2356320705 DJKMJPSWYYYUBR-CQSZACIVSA-N 354.352 2.319 0 1 FEAF CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC3)c21 2456169 LULNAZSXANYILE-UHFFFAOYSA-N 373.272 2.143 0 1 FEAF O=C1C(=O)N(c2ncccn2)[C@@H](c2cccs2)[C@H]1C(=O)c1ccco1 110752176 CXKAPGDWEKFEIL-STQMWFEESA-N 353.359 2.287 0 1 FEAF Nc1n[nH]c2c1[C@@H]1CCC[C@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 114843054 FDZAFCKLCZYXMJ-MFKMUULPSA-N 352.847 2.486 0 1 FEAF CC(=O)N1C=C([C@@H]2[C@H]3C[C@@H](CN4CC[C@H](O)C[C@H]34)[C@H]3CCCCN23)CCC1 2356544323 KXTMZZFZSKVPPU-YVZLVKDNSA-N 373.541 2.211 0 1 FEAF COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2[C@@H](C)O[C@H]1O 13309431 PRWUPBRXUFNHBE-YUXUEWJLSA-N 370.449 2.230 0 1 FEAF biogenic Cc1cc(NC[C@H](O)CO)nc(-c2ccc(Br)c(F)c2)n1 84687252 KKARPHGXIVJIEA-JTQLQIEISA-N 356.195 2.119 0 1 FEAF COc1cccc(N2C(=O)N[C@H]3CCN(C(=O)C4CCCCC4)[C@@H]3C2=O)c1 25410369 VOHMBPBFINJPNF-IRXDYDNUSA-N 371.437 2.301 0 1 FEAF biogenic CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H](c3ccc4c(O)nc(O)nc4n3)C[C@]12O 587561501 RUNWURHVQVSYND-HAPLINFISA-N 373.453 2.478 0 1 FEAF Cc1cc(C)c2c(c1)[C@@]1(N[C@H](C(=O)O)Cc3ccc(O)c(C)c31)C(=O)N2 963522626 FWZAWBLWVLFEBL-XOBRGWDASA-N 352.390 2.112 0 1 FEAF N[C@@H]1C[C@H]2CC=Cc3c(c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c34)N2C1 113154586 XCMXGAWVDBMBMG-ZYHUDNBSSA-N 369.396 2.497 0 1 FEAF NC1=N[C@@]2(c3ccccc3F)CO[C@@H](COc3ncccn3)C[C@H]2CS1 169711637 HOIHDRHWNUKIQP-JCGVRSQUSA-N 374.441 2.357 0 1 FEAF O[C@H]1C[C@@](CNCc2cccc(Cl)c2)(COc2cccnc2)C[C@H]1O 1857596061 QMFHRRPHNIWWGO-BWTSREIZSA-N 362.857 2.406 0 1 FEAF CCOC(=O)c1ccc(Nc2ncc3c(n2)CCc2c[nH]c(=N)nc2-3)cc1 1857655147 KHTLBOWJSXEQJZ-UHFFFAOYSA-N 362.393 2.365 0 1 FEAF CN(C)[C@@H]1CCN(N(Cc2ccncn2)[C@@H]2CCCc3cccnc32)C1 1857763533 JWKVNXFCPRWNRC-RTBURBONSA-N 352.486 2.302 0 1 FEAF Cc1nc(-n2ncc(C(=O)N3CCc4ccccc4C3)c2C)[nH]c(=O)c1C 109595318 IFNCCPKDSYXQMS-UHFFFAOYSA-N 363.421 2.079 0 1 FEAF Cc1sc2ncnc(SCC(=O)N3CC(=O)N(C)C3)c2c1Cl 1911583413 UESWSZOPRMZQLA-UHFFFAOYSA-N 356.860 2.003 0 1 FEAF CC(C)NC[C@@H](O)COc1ccc(OCCn2nc3ccccc3n2)cc1 27557357 PDPUHUGFZQMBJT-MRXNPFEDSA-N 370.453 2.248 0 1 FEAF Cc1nonc1CN(C)C[C@]1(O)CCCN(CCC2CCCCC2)C1=O 67515047 HUODHRHODULIEZ-LJQANCHMSA-N 364.490 2.134 0 1 FEAF O=C1C(=O)N(c2ncccn2)[C@H](c2cccs2)[C@H]1C(=O)c1ccco1 110752180 CXKAPGDWEKFEIL-QWHCGFSZSA-N 353.359 2.287 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]23C[C@H]4[C@H](C[C@H](C)[C@H]12)OC(=O)[C@]4(C)O3 2356641363 NJCOYDCWMCJBNU-KAGOIJCNSA-N 364.438 2.135 0 1 FEAF COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC=O)CC2 1730747 NARFZZQNNQGPBJ-AWEZNQCLSA-N 371.389 2.179 0 1 FEAF biogenic C[C@@H](S[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O 36222682 JVZOJVSKVSEJNC-SNPRPXQTSA-N 365.451 2.270 0 1 FEAF CCCCOC(=O)[C@@H]1C=C(C(=O)O)c2cccc(C(=O)CC(=O)O)c2C1 14824845 VOBONSLRNOLRLV-NSHDSACASA-N 360.362 2.328 0 1 FEAF biogenic CCc1nc(C(=O)N2CCC[C@H]2C(=O)NCc2ccccc2N)cs1 82072832 FBPDEYHTVZOKTB-HNNXBMFYSA-N 358.467 2.209 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C 238770028 YOQIGAVHLYFIAF-QSUQVILGSA-N 364.438 2.243 0 1 FEAF CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)[C@@H]1O)Nc1ccccc14)[C@H]32 96910321 STPIZSHIGYPTLA-NRDMVMEKSA-N 352.434 2.192 0 1 FEAF O=C(c1cc2ccccc2[nH]1)N1CC(=O)N(Cc2cccs2)C(=O)C1 98085671 LXDPAWHPIFZDLG-UHFFFAOYSA-N 353.403 2.241 0 1 FEAF CCc1ccc(NC(=O)CN2C(=O)N[C@@H]3[C@H](O[C@@H]4CCCC[C@H]34)C2=O)cc1 618016325 FTMJBXBTXZVUGF-MVJTYMMSSA-N 371.437 2.066 0 1 FEAF CC(=O)Nc1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1 261172334 TZKOWTJXSWSPFS-UHFFFAOYSA-N 355.442 2.026 0 1 FEAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586922364 LVNQRLLYCBNYIG-UHFFFAOYSA-N 366.420 2.270 0 1 FEAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(-n3cnnn3)cc2[nH]1 587174541 KNRPJTCTLAWBPF-AWEZNQCLSA-N 362.372 2.402 0 1 FEAF CCOC(=O)[C@@H](c1cc2c3c(cccc3n1)CC2)[C@@H]1CCS(=O)(=O)C1 587216613 HEHPGOWOURYPSH-RDTXWAMCSA-N 359.447 2.415 0 1 FEAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cn(C)nc1C)[C@@H](C2)C3=O 587433217 WOBXOHRJDHYINY-WZHKBMRHSA-N 353.422 2.455 0 1 FEAF C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)C2)C[C@@H]1N(C)c1ncnc2[nH]ccc12 145266243 XLWYJSMYNALODL-WWGRRREGSA-N 355.442 2.000 0 1 FEAF CCNC[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)C1 13649579 VDLUURWHKGLOHH-GFCCVEGCSA-N 361.417 2.295 0 1 FEAF Cc1ncc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)cn1 168078340 WEUXTZDOZQCENX-UHFFFAOYSA-N 367.384 2.356 0 1 FEAF CCNC(=O)[C@@H]1CCCN(Cc2noc(-c3ccccc3OC)n2)CC1 1857596656 QOEJCYSVVSTXEO-CQSZACIVSA-N 358.442 2.483 0 1 FEAF O=C1C=CC[C@H](C=CC[C@@H]2C[C@H](O)[C@H](O)[C@H](C=Cc3ccccc3)O2)O1 2356389136 ITOWMYXEGADZIR-RVDAZCDBSA-N 356.418 2.397 0 1 FEAF CN(C)C(=O)c1cccc(Nc2c(NCc3ccccc3)c(=O)c2=O)c1O 101109917 HATZRSBFZYTSOM-UHFFFAOYSA-N 365.389 2.046 0 1 FEAF C[C@@H]1CC(C)(C)NC(=S)N1CC(=O)N1CCN(C2CCCCC2)CC1 20107456 TWZDMOYTXIEJHE-OAHLLOKOSA-N 366.575 2.211 0 1 FEAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C)[C@H]1c1cccnc1 26568039 RNGHHZVYNYADLG-XMGGNUPJSA-N 359.426 2.435 0 1 FEAF Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)cc1 2356608341 MAQCXDODBWUFDO-PBHICJAKSA-N 372.446 2.182 0 1 FEAF CC(=O)Nc1ncc(-c2cncc(NS(=O)(=O)c3ccccc3)c2)cn1 73168383 TWIKWUASKJEFIM-UHFFFAOYSA-N 369.406 2.298 0 1 FEAF COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@H]2c1ccc(Cl)cc1 73141962 RQOBYFAPGBKGME-INIZCTEOSA-N 352.843 2.500 0 1 FEAF O=C1NC(=O)C(c2c[nH]c3cc(Br)ccc23)=C1c1cnc[nH]1 5544803 JAEXYIAXFPZAAX-UHFFFAOYSA-N 357.167 2.221 0 1 FEAF biogenic NS(=O)(=O)c1cccc(Nc2nccc(-n3ncc4ccccc43)n2)c1 84733068 VLROOZRSNWRFKW-UHFFFAOYSA-N 366.406 2.207 0 1 FEAF COC[C@H](O)[C@@H](OC)[C@@H](OC)c1cnc2cc(-c3ccc(C)cc3)nn2c1 40880421 DDPJPTQKNAYCOD-YSIASYRMSA-N 371.437 2.415 0 1 FEAF CC1=NN(C)[C@@H]2C(=O)N(c3ccc(=O)n(C)c3)[C@@H](c3ccc(Cl)cc3)[C@@H]12 261106374 HNHMBUOEWPFJPM-SQNIBIBYSA-N 370.840 2.433 0 1 FEAF CO[C@H]1CC[C@H](NC(=O)c2n[nH]cc2NC(=O)Cc2ccccc2F)CC1 299820868 IZJDKDDRAYOTGH-HDJSIYSDSA-N 374.416 2.417 0 1 FEAF COC(=O)c1ccc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c2c1 586920119 FCOQTSCTRIJVRG-UHFFFAOYSA-N 360.391 2.332 0 1 FEAF COC1=COC(CO)=C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617985 SCOVWJPFWOWWEP-XLIONFOSSA-N 368.341 2.487 0 1 FEAF NS(=O)(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 587127250 USCVJPLMTWJPSP-UHFFFAOYSA-N 363.361 2.150 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C=C(C)N(C[C@H]4CCCO4)C(=O)C1)[C@@H](C2)C3=O 587434845 CIVFCVWMPYVYSY-ZJTDPSCFSA-N 369.417 2.497 0 1 FEAF COc1cncc(N)c1-c1nc2ncc(I)cc2[nH]1 587254722 WKDAVDCEDBKETO-UHFFFAOYSA-N 367.150 2.215 0 1 FEAF COc1cc([C@H]2NCCc3ccc(O)cc32)cc(OC)c1OCC(=O)O 963329628 PWSAOCFJMCTIHI-GOSISDBHSA-N 359.378 2.108 0 1 FEAF NC(=O)N1CCCc2cc(-c3cncc(CNC(=O)C4CC4)c3)cnc21 1772587064 IPJXVGUTUQPQLP-UHFFFAOYSA-N 351.410 2.001 0 1 FEAF COCCNC(=O)[C@H]1C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C 13660768 MZZDTQXXKZJNQU-KFKAGJAMSA-N 364.449 2.327 0 1 FEAF O=C(O)C1(CCCCn2cnc3c2NC=NC[C@H]3O)Cc2ccccc2C1 13807384 OKELXQCITSLUFC-MRXNPFEDSA-N 368.437 2.410 0 1 FEAF CCOc1ccc(CCNC(=O)Cn2ncc3ccsc3c2=O)cc1 6804619 RBRRTEXOILTZDI-UHFFFAOYSA-N 357.435 2.216 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(O)[C@@H](O)[C@H]2C1 2356384980 DINUARVDSHDVLN-PCYGDDBPSA-N 364.438 2.243 0 1 FEAF CS(=O)(=O)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 8582806 PGPVNSCEEOGOMS-UHFFFAOYSA-N 361.398 2.024 0 3 FEAF COCCNC(=O)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)O 8691396 FGQWHEYNJHBJIN-UHFFFAOYSA-N 372.349 2.320 0 3 FEAF Cc1cccc(CCCNC[C@@H](O)c2cc(O)cc3c2OCC(=O)N3)c1 1911578325 OZHHZWRMPWYDGZ-GOSISDBHSA-N 356.422 2.287 0 1 FEAF N[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@H]1C(=O)N1CCCC1 28954943 OXMNNXNJYBRVAW-KGLIPLIRSA-N 361.829 2.108 0 1 FEAF CC(=O)n1c2cc(=O)n(Cc3cccnc3)c(C)c2c(=O)n1-c1ccccc1 64447036 LBGHHAWJKSAZHY-UHFFFAOYSA-N 374.400 2.366 0 1 FEAF COc1ccc(C(=O)[C@@H]2CO[C@H](c3ccc(OC)c(O)c3)[C@@H]2CO)cc1O 2356558083 LJZCCAHBCMLGPF-ARGWCVDVSA-N 374.389 2.294 0 1 FEAF CCCCCCOC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)CS1 45354139 OINYNZHHGXRRPJ-OLZOCXBDSA-N 357.432 2.147 0 1 FEAF Cc1cc(C)nc(Nc2cc(NC[C@@H](N)C(F)(F)F)cnc2C(N)=O)c1 221735402 FDIMKCQGUSVISE-GFCCVEGCSA-N 368.363 2.237 0 1 FEAF CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCCc3ccc(F)cc3)n2)C1 82203745 QFZIXYFMYIAPNR-QGZVFWFLSA-N 357.433 2.294 0 1 FEAF Cc1ccc(S(=O)(=O)N2C(=O)[C@H]3Cc4ccccc4N3C2=O)cc1C 89456524 SNTXCZUZYKUXCN-MRXNPFEDSA-N 356.403 2.386 0 1 FEAF CC(=O)c1ccc(NCC(=O)N2CCN(c3ccccc3N)CC2)cc1 144822971 XBLCBNURXYAPJG-UHFFFAOYSA-N 352.438 2.232 0 1 FEAF Cc1cc2cc3c(c(O)c2c(O)c1[C@H](C)O)C(=O)[C@@](C)(O)C(=O)C3(C)C 238734036 YVDOHZGVZDOOCW-GWNMQOMSSA-N 358.390 2.407 0 1 FEAF CN1CC([N+](=O)[O-])=C2N(C[C@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 299847705 NQQNKHZDFFYPMX-ZIAGYGMSSA-N 363.849 2.370 0 1 FEAF O=C(NCc1cccs1)[C@H]1CC[C@H]2[C@@H](CCN2C2CCOCC2)O1 299843044 LIHUTGBBTHTURR-GVDBMIGSSA-N 350.484 2.165 0 1 FEAF COc1cc(-c2nc3c(N)ccnc3[nH]2)ccc1OCC(=O)NC(C)C 587218269 HLQOBULKJIDNRW-UHFFFAOYSA-N 355.398 2.119 0 1 FEAF COCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 587584610 ZHNBJDWABXSQKW-YJBOKZPZSA-N 353.334 2.291 0 1 FEAF COc1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CC(=O)O)ccn1 587651427 STYVTNJYLWOJDE-UHFFFAOYSA-N 360.391 2.269 0 1 FEAF COc1cc(N)c(I)cc1-c1nc2cncnc2[nH]1 587178779 LASJHJWVHHXGMR-UHFFFAOYSA-N 367.150 2.215 0 1 FEAF CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1-n1cc(C(=O)O)nn1 587651753 YGRCJYUQTIBPOV-UHFFFAOYSA-N 362.411 2.148 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587232490 XVLFRJUDHPZXNN-NEPJUHHUSA-N 363.389 2.437 0 1 FEAF C[C@@]1(c2ccc(O)nn2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705188 UZMMSDYEXFTGEY-IAQYHMDHSA-N 371.290 2.203 0 1 FEAF CN(CC1CCN(c2ncccn2)CC1)C[C@H]1COc2ccccc2O1 13799880 LNKICWOWSGWZEK-KRWDZBQOSA-N 354.454 2.465 0 1 FEAF CC(C)Oc1ccc(CN=c2[nH]c(-c3ccccc3CO)nc(=N)[nH]2)cc1 1857588191 BCGFYBDMRMOFDP-UHFFFAOYSA-N 365.437 2.265 0 1 FEAF O=C1COc2cccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)c2N1 1857750414 XKSTZNKIIJOHEA-LLVKDONJSA-N 358.325 2.141 0 1 FEAF O=P(O)(O)C(O)(Cc1cccc(Oc2ccccc2)c1)P(=O)(O)O 13673821 XDTLXGCBLPCGID-UHFFFAOYSA-N 374.222 2.023 0 1 FEAF O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)Nc1cccnc1 6802193 OVVFHLKYOBRBFU-UHFFFAOYSA-N 371.400 2.416 0 1 FEAF O[C@@H]1[C@H](NCC2CCCC2)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1 2356297218 QBWBFXUJDHYTEW-ONUIULTDSA-N 369.465 2.356 0 1 FEAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3ccc(F)cc3)C[C@H](O)[C@H]2CO)n1 2356587975 FCVLDYJTNOWOQM-HAGHYFMRSA-N 373.472 2.429 0 1 FEAF CCSCCNCCCNCCCNCCCNCCSCC 34893860 UJOQFIWTNCLURF-UHFFFAOYSA-N 364.669 2.021 0 1 FEAF C[C@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(Cl)cc2)C1=O 36382392 RDZQBJBGVDGOQY-GFCCVEGCSA-N 373.844 2.314 0 3 FEAF COc1ccc([C@@H]2Oc3c(ccc(OC)c3OC)[C@@H](O)[C@@H]2O)cc1OC 14436094 VDDYRAREFDERAS-IKGGRYGDSA-N 362.378 2.249 0 1 FEAF biogenic CCOC(=O)c1n[nH]c2c1C(=O)N(c1ccccc1Br)C2=O 49124733 PYUKXHJDDLTRQR-UHFFFAOYSA-N 364.155 2.150 0 1 FEAF COC(=O)[C@@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82083852 MGMXTGBSSAJAAY-SECBINFHSA-N 350.396 2.119 0 1 FEAF O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 95894599 FZJHIVUYMAQMIZ-YCPHGPKFSA-N 368.355 2.051 0 1 FEAF O=C1N[C@H]2CCN(C(=O)C3CCCCC3)[C@@H]2C(=O)N1Cc1ccccc1 25411883 KDMBTGYFHMVTIP-IRXDYDNUSA-N 355.438 2.288 0 1 FEAF biogenic C[C@H]1CCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1 143944815 XTNBMEPCFLCZDO-ZDUSSCGKSA-N 362.437 2.439 0 1 FEAF COC(=O)[C@@]12CC[C@]34CCCN5C[C@H](C(=O)C3)[C@]1(c1ccccc1N2)[C@H]54 238775942 DQJVZFCMYXOSQZ-WGCAESBKSA-N 352.434 2.109 0 1 FEAF Cc1cccc(N2C(=O)[C@@H]3ON=C(C(=O)c4cccs4)[C@H]3C2=O)c1C 68602065 CYVMVERIVVLFDT-CZUORRHYSA-N 354.387 2.492 0 1 FEAF biogenic CCOC(=O)C(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599600 YERYBJNWYMCRLG-IFXJQAMLSA-N 356.330 2.245 0 1 FEAF O=S(=O)(O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 586924163 JRUCKAOOPPNXCW-HJWRWDBZSA-N 364.404 2.254 0 1 FEAF COc1ccc(S(=O)(=O)Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 586921142 ZJIIXWXCHIWCHG-INIZCTEOSA-N 360.395 2.269 0 1 FEAF O=S(=O)(Cc1nc2cnncc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586951469 WBPXMJZGZASSNW-UHFFFAOYSA-N 372.454 2.285 0 1 FEAF O=S(=O)(Cc1ccc2c(O)nc(O)nc2n1)c1ccc(Cl)cc1 587563623 UORGWYYUDGFPLZ-UHFFFAOYSA-N 351.771 2.063 0 1 FEAF O=C(c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)N(CCO)CCO 11873380 PXDZOVYGHVZGDE-UHFFFAOYSA-N 374.824 2.499 0 1 FEAF CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2cc3ncccn3n2)C1 12434484 MPDZCQHMIVYIIN-KRWDZBQOSA-N 364.453 2.251 0 1 FEAF N=C(N)c1ccc2[nH]c(C(=O)NCc3ccc(CC(=O)O)cc3)cc2c1 13764920 VGBOGBRRHKVALF-UHFFFAOYSA-N 350.378 2.009 0 1 FEAF CN1c2ccccc2C(=O)[C@H](C(=O)Nc2ccc(Cl)cc2)S1(=O)=O 18119011 PLFUTXCYZIMISZ-OAHLLOKOSA-N 364.810 2.310 0 1 FEAF Cc1noc(C)c1-c1ccc2[nH]c(C(=O)N(C)[C@@H]3CCN(C#N)C3)nc2c1 1857545670 IJTONWPTRNPZBZ-CQSZACIVSA-N 364.409 2.462 0 1 FEAF O=C(c1cnccn1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1 3956300 BUISWGSNHZRQCM-UHFFFAOYSA-N 351.454 2.390 0 1 FEAF C[C@@H]1[C@H](O)C[C@]23COC(=O)[C@@H]2CC[C@H](O)[C@@H]3[C@@]1(C)CC[C@H]1CCOC1 2356287306 GOMXXHNZEQAZQB-RYOVBFBLSA-N 352.471 2.140 0 1 FEAF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H](O)[C@H]2CCCC[C@H]12 58626694 OXOQFLQOQYZUGT-DCGLDWPTSA-N 364.833 2.437 0 1 FEAF C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102385541 VSYSIDYSTAJIJK-WBOJAVRRSA-N 368.474 2.387 0 1 FEAF COc1ccc(C(=O)N2C[C@@H]3CN(c4nccc(C)n4)C[C@@H]3C2)c(OC)c1 116823602 JQNCZQDUHOPZTH-GASCZTMLSA-N 368.437 2.011 0 1 FEAF O=C1CC(c2ccc(Br)s2)=NC[C@@]2(CN3CCC2CC3)N1 101450968 PPXIWRXFOATFAB-HNNXBMFYSA-N 368.300 2.284 0 1 FEAF Cc1cc(C(=O)N2CC[C@]2(C)C(=O)Nc2cc(C(C)(C)C)nn2C)nn1C 61904394 QTAGYXNHUJYKHN-LJQANCHMSA-N 372.473 2.003 0 3 FEAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(O)C[C@@]2(O)C1 2356618490 VYDPZFPZVFZUFI-BSCZKGNESA-N 364.438 2.387 0 1 FEAF O=C(Nc1ccccc1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NC(=O)c1cccs1 2356835706 KUJSCNAHRTXGHE-RRCSTGOVSA-N 374.418 2.261 0 1 FEAF COc1ccc(N/C(=C/[N+](=O)[O-])NCCCn2cnc(C)c2)c(OC)c1 139808530 HJEWLERUZOGYCA-GZTJUZNOSA-N 361.402 2.376 0 1 FEAF O=C(N[C@@H]1CCCc2ccccc21)c1nc(-c2cnccn2)nc(O)c1O 84711987 MVYKMGXMZLCRQL-CYBMUJFWSA-N 363.377 2.152 0 1 FEAF COC(=O)c1cccc2c1=C[C@@H]1c3[nH]c4cc(OC)ccc4c3CCN1C=2 31947148 XEZPRDMWRMFURH-HXUWFJFHSA-N 360.413 2.095 0 1 FEAF biogenic CS(=O)(=O)Nc1ccccc1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 586949202 QHIRQHJDOVCAED-UHFFFAOYSA-N 370.434 2.410 0 1 FEAF CNS(=O)(=O)N1CCC(c2nc3ccc4nc(C)ccc4c3[nH]2)CC1 586956157 XAPNZFUXCMKJOK-UHFFFAOYSA-N 359.455 2.063 0 1 FEAF COC(=O)[C@@H](C)n1cccc1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962930561 LWSFYJQNBFBHNG-ACJLOTCBSA-N 355.438 2.159 0 1 FEAF COCCN(CCOC)[C@H](C(=O)Oc1c(OC)cccc1OC)C(C)C 13864510 ATLKGHGKNJZFIM-KRWDZBQOSA-N 369.458 2.229 0 1 FEAF CCCC(=O)OCSc1ccccc1C(=O)NCCCNC(C)=O 1857604269 ATTOLRLHAXKVLO-UHFFFAOYSA-N 352.456 2.336 0 1 FEAF O=C(Nc1nncs1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 2459127 NGRGJBMARGRWOI-VWUVDNNOSA-N 366.402 2.102 0 1 FEAF C[C@@H]1C[C@@H]2C(=O)C(C)(C)[C@H](O)CC[C@@]2(O)[C@@]1(C)CCC1=CC(=O)OC1 2356332982 LEZWSCIWQQGIDL-SQVUNMRZSA-N 350.455 2.393 0 1 FEAF COCCNC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21 6878126 MLVVSCCCGIKONT-UHFFFAOYSA-N 361.785 2.250 0 1 FEAF O=C1N[C@@H](C(=O)O)Cc2cn(cn2)CCCCOc2ccc(Cl)c1c2 103260942 CNVZYIOAIFJZCD-OAHLLOKOSA-N 363.801 2.135 0 1 FEAF CN(C(=O)/C=C/c1ccco1)c1ccc(N2CCOCC2)c(C(=O)O)c1 64521179 HDKLUQSTTWWSNW-FNORWQNLSA-N 356.378 2.491 0 1 FEAF CC=C1CN(C=O)[C@H]2C[C@H]1[C@H](C(=O)OC)[C@]13CCO[C@]21Nc1ccccc13 2356553094 NKMFTVSMLXLPDB-MHGREVIQSA-N 368.433 2.063 0 1 FEAF CN1CC[C@@H]2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)[C@@H]2C1 28527053 WCIYUOOGUNVCHI-UXHICEINSA-N 366.509 2.405 0 1 FEAF CC1(C)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2[C@H](O)[C@@H]1O 14559473 DRLOYLLHCWGYLF-OALUTQOASA-N 370.357 2.437 0 1 FEAF biogenic N[C@@H]1CSCON2CCc3c([nH]c4ccc(O)c(Br)c34)[C@@H]12 15209822 CWYSYORNQMPRTH-XLKFXECMSA-N 370.272 2.498 0 1 FEAF biogenic CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccccc2)C1=O 96285040 NIMNBTWLFJGSNJ-YJBOKZPZSA-N 351.450 2.259 0 1 FEAF C[C@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1cn2ncsc2n1 618020154 OSKTUHJEHGMPGP-JTQLQIEISA-N 354.395 2.173 0 1 FEAF c1cncc(-c2ccc(-n3nnnc3CCCCN3CCOCC3)cc2)c1 299833148 OOZLNXZQGODQQR-UHFFFAOYSA-N 364.453 2.379 0 1 FEAF Cc1ncsc1C(=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 299851477 ASLJVPDZFXFROB-IBGZPJMESA-N 357.479 2.087 0 1 FEAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(CO)cc2[nH]1 587203473 QNLWOGIAFXYYQF-INIZCTEOSA-N 369.377 2.497 0 1 FEAF CCOc1cc(-n2c(O)cc(CC(=O)O)c2O)c(Cl)cc1C(=O)O 587941742 SCOYDVOIQRHQMA-UHFFFAOYSA-N 355.730 2.266 0 1 FEAF COc1ccc2c(c1OC)[C@@](C)(c1cc(C(N)=O)n(C)c1)N(C)[C@@H](C)C2 962575087 VNWQCIGCSZGIDW-FKIZINRSSA-N 357.454 2.281 0 1 FEAF COc1cc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)cccc1=O 11525246 NYAWYNQVAOOGQK-KRWDZBQOSA-N 368.389 2.184 0 1 FEAF COc1ccc([C@@H]2[C@H](C(C)=O)C(=O)C(=O)N2c2nccs2)c(OC)c1 169690675 WXFQKXPFULXBLO-UONOGXRCSA-N 360.391 2.023 0 1 FEAF NS(=O)(=O)Oc1ccc2cc(-c3cc(F)c(F)c(F)c3)c(=O)oc2c1 1857628147 FUFBFPMPBXIIQP-UHFFFAOYSA-N 371.292 2.460 0 1 FEAF CCn1ncc2c1CC[C@@H](N=c1nc3c(-c4cccnc4)cccn3[nH]1)C2 1857638471 KFAKCWGZLLMXEM-MRXNPFEDSA-N 359.437 2.399 0 1 FEAF COc1ccc(OC2CCN(c3nc(CO)nc(Cl)c3C)CC2)cn1 1857644790 KLOQNFVHWURQQJ-UHFFFAOYSA-N 364.833 2.382 0 1 FEAF CCOC(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)C(C)(C)O2 1346666 FHBNKISCCZQPPO-UHFFFAOYSA-N 374.437 2.380 0 3 FEAF COc1ccc(N2Cc3cccc(C(=O)N4CCOCC4)c3C2=O)cc1 4100893 ZAGZPYLIRYLFKS-UHFFFAOYSA-N 352.390 2.328 0 3 FEAF CCN(CC)[C@@H]1CCC[C@H](C(=O)N(C)Cc2cccnc2)CC(=O)N(C)C1 2356435934 UCMLLBBHPGZSBZ-RBUKOAKNSA-N 374.529 2.399 0 1 FEAF CN(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1 115626854 LZSAHCVWDFWMTO-CQSZACIVSA-N 365.437 2.262 0 1 FEAF CCCn1c(=O)c2c(nc(-c3ccc(C(=O)O)cc3)n2C)n(CCC)c1=O 28243090 SEVZMIUXELILJP-UHFFFAOYSA-N 370.409 2.082 0 1 FEAF COCCCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3ccccc3)nc21 43080405 IINOXNCFEARFFC-UHFFFAOYSA-N 356.426 2.246 0 1 FEAF COc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(N)c2=O)cc1 25425281 RDNAXZMJKQZENA-OLZOCXBDSA-N 354.410 2.090 0 1 FEAF biogenic Cc1nc(CN2CCO[C@@H]3CN(C(=O)NC(C)C)CC[C@H]3C2)cs1 299842705 IZVHKGBCBSHGHF-GOEBONIOSA-N 352.504 2.092 0 1 FEAF COc1ccc([C@H]2C3=C(COC3=O)N(CCO)c3cc(OC)ccc32)cc1 299820967 FGIFPFSAUIQSTG-LJQANCHMSA-N 367.401 2.459 0 1 FEAF COc1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)nn1-c1ccccc1F 587156823 SGDZHJFSMNXOCE-UHFFFAOYSA-N 359.752 2.371 0 1 FEAF CNC(=O)c1nc(NC(=O)N[C@H](C)c2ccccc2)cc2[nH]nc(OC)c12 1772641129 WTNFYHWRFDUYDP-SNVBAGLBSA-N 368.397 2.209 0 1 FEAF CC(C)OC(=O)c1cc(CO)cn1S(=O)(=O)c1cc(Cl)ccc1N 5963061 IVNZRBUMXFSMLM-UHFFFAOYSA-N 372.830 2.018 0 1 FEAF O=C(NCC(=O)N1CCC(Cc2nc(C3CC3)no2)CC1)c1ccccc1 1857606157 KEAGXERJQJPUCK-UHFFFAOYSA-N 368.437 2.158 0 1 FEAF CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 1906910 XPYOMEVUZBGHLA-UHFFFAOYSA-N 373.434 2.466 0 1 FEAF COCc1cc(C[C@@H]2CC[C@@H](O)[C@H](CNCc3ccccc3F)O2)no1 2356422836 KJZXYZWNDDCXFM-IPELMVKDSA-N 364.417 2.201 0 1 FEAF Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1 4034554 IMWRZWSKFBVWAI-QGZVFWFLSA-N 373.478 2.107 0 3 FEAF CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)NCc1ccco1 2356654581 CUYTYCCTIUBSRB-ULQDDVLXSA-N 364.559 2.296 0 1 FEAF Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)OC[C@H]3CCCN3C)co2)cc1 82070817 ZEEJWJGBNMTYMW-GOEBONIOSA-N 371.437 2.406 0 1 FEAF CN1CCC[C@@H]1COC(=O)CNC(=O)c1csc(-c2ccccc2)n1 82072233 PAAHMXADSFJCCG-CQSZACIVSA-N 359.451 2.177 0 1 FEAF O=C(C1CC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 95869405 WNOJPRMUMXTARY-HZPDHXFCSA-N 368.399 2.390 0 1 FEAF O=C(NCCc1ccccn1)[C@H]1CC[C@H]2[C@@H](CCN2Cc2ccoc2)O1 299841715 CMHOXDTYKGEIJP-IPMKNSEASA-N 355.438 2.155 0 1 FEAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(Cl)ncnc3[nH]2)cc1 586940669 BSUHXELQZFWKJL-VOTSOKGWSA-N 363.830 2.405 0 1 FEAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC(N)=O 587388788 GVYDEUZALMZSII-INIZCTEOSA-N 356.378 2.156 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN[C@H](C(=O)O)C2)N1 587795601 RHGLYWADIXNBAK-OTDPEBBPSA-N 357.223 2.154 0 1 FEAF CC(C)(C)OC(=O)N=c1cc[nH]cc1-c1ccc2c(O)nc(O)nc2n1 587556150 UWRCWPDTHWIROU-UHFFFAOYSA-N 355.354 2.267 0 1 FEAF CC(=O)N(C)c1ccc(S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 100723261 XPKWAMRIUCWOKT-UHFFFAOYSA-N 360.435 2.485 0 1 FEAF CCn1c(=O)ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21 13835418 PXTOVJWQCDYWEC-UHFFFAOYSA-N 351.410 2.392 0 1 FEAF CCOCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCC1)S2 3008039 PFIMZHCXXQITEF-SFHVURJKSA-N 363.483 2.309 0 1 FEAF CCOC(=O)c1c(C)c(C(=O)N2CCC3(CC2)OCCO3)c(C)n1CC 4102092 IKLPRVWPPVURKJ-UHFFFAOYSA-N 364.442 2.281 0 3 FEAF C[C@@H](CN1CCCCC1)OC(=O)[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)C 25967909 PCLCTMUJJXNFHF-HOTGVXAUSA-N 366.502 2.400 0 1 FEAF COC(=O)c1cc([C@@H](O)CN2CCN(c3ccccc3C)CC2)ccc1O 27074462 DHZGOKYRTUXLHK-FQEVSTJZSA-N 370.449 2.343 0 1 FEAF CCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3coc4ccccc34)C2)n(C)n1 103239523 GJENZHPSZKVZKN-CQSZACIVSA-N 366.421 2.373 0 1 FEAF COCCNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 114346331 XOLMMSRNKAXJNW-QGZVFWFLSA-N 365.437 2.118 0 1 FEAF Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NCC3CC3)cc2s1 114398045 UDIKPWYBVUCCQW-UHFFFAOYSA-N 363.468 2.265 0 1 FEAF O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 28233799 JVICSHHHDGNHAT-INIZCTEOSA-N 371.430 2.464 0 1 FEAF COCCN1CC[C@@H](C)c2cc(Cc3cnc(N)nc3N)cc(OC)c21 29569382 MKFXAYNIRIKKEH-GFCCVEGCSA-N 357.458 2.200 0 1 FEAF CN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 20115934 YCBKBLPOSGXAKU-MSOLQXFVSA-N 369.490 2.433 0 1 FEAF COc1ccc2nc3n(c2c1)[C@H](CNS(=O)(=O)c1ccccc1)COC3 2356579009 NOCQNZJSRDKDAW-CYBMUJFWSA-N 373.434 2.095 0 1 FEAF COCCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 61904976 WEXWZWMBWVUMCE-INIZCTEOSA-N 373.375 2.024 0 3 FEAF CC[C@H](C)[C@H](NC(=O)C[C@@H]1CCC(=O)[C@H]1CC=CCC(=O)O)C(=O)O 2356830336 JGWHHQHWBOQVJU-MRHIQRDNSA-N 353.415 2.008 0 1 FEAF Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 39036704 VWCMAGONQJHIJZ-LPHOPBHVSA-N 373.932 2.136 0 1 FEAF in-vivo Cc1ccccc1COc1ccc(CC[C@@]2(C(N)=O)COC(=O)N2)cc1 73224744 YRYAJQGIYWUGEF-FQEVSTJZSA-N 354.406 2.471 0 1 FEAF CC(=O)NCCCc1nc2ccccc2n1Cc1ccc(C(=O)NO)cc1 221909061 SSDBPMQTAIILCX-UHFFFAOYSA-N 366.421 2.272 0 1 FEAF NS(=O)(=O)c1ccc(CCn2cc(-c3ccc(Cl)cc3)nn2)cc1 96908724 RXDJXJSNFDTBPB-UHFFFAOYSA-N 362.842 2.489 0 1 FEAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 299881367 NWSDAMSPURXNMO-YQVWRLOYSA-N 371.437 2.325 0 1 FEAF COc1ccc(NC(=O)C(=O)c2cn(CCC(=O)O)c3ccccc23)cn1 653806383 WQQIRBDPWCMEFL-UHFFFAOYSA-N 367.361 2.341 0 1 FEAF COc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1F 586929401 BIROYWJPHAJIDS-UHFFFAOYSA-N 365.386 2.245 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(C)c1N1CCOCC1)O2 587392591 ZTZFLPMGSAMGLJ-INIZCTEOSA-N 356.426 2.162 0 1 FEAF Oc1ncc([C@H]2CCC[C@@]3(C2)NCCc2nc4ccccn4c23)c(O)n1 962989343 ZSRAZQGFLNFMPH-BUXKBTBVSA-N 351.410 2.234 0 1 FEAF Cc1ccc(Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 169322211 GVUGAYPRESZAMG-INIZCTEOSA-N 363.373 2.140 0 1 FEAF CN(C)CCCNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167440896 JPXHFCVLFANEOB-UHFFFAOYSA-N 367.453 2.311 0 1 FEAF CC(C)(C)[C@H](NC(=O)c1cc2ccccc2n1CCCCCO)C(N)=O 1857576637 IEZMJVDWIFQOBY-QGZVFWFLSA-N 359.470 2.434 0 1 FEAF COC(=O)C1=C(OC)C(=O)O[C@H]1c1c(Cl)c2cc(C)ccc2oc1=O 1911571023 FWGHJSUXRBJLGR-ZDUSSCGKSA-N 364.737 2.426 0 1 FEAF O=C(O[C@@H]1CCN2C[C@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@H]2C1)c1ccc[nH]1 967652 YFRYJFMFQOBOSY-JAPOXJDPSA-N 357.454 2.035 0 1 FEAF biogenic COc1c(C)c2c(c(O)c1C/C=C(\C)CCP(=O)(O)O)C(=O)OC2 36338577 YHXAGGDIEFFREH-RUDMXATFSA-N 356.311 2.436 0 1 FEAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OCCN(C)C)co2)cc1 82073390 HDDTWDCEVGZLOX-QGZVFWFLSA-N 371.437 2.359 0 1 FEAF O=C1NC(=O)[C@H](Cc2ccc(OCCNc3ccc(O)cn3)cc2)S1 95618715 SVUUNTJZVPNZSL-AWEZNQCLSA-N 359.407 2.172 0 1 FEAF world C=CS(=O)(=O)N1CCN(Cc2ccc(Br)cc2C)CC1 618020232 OBYFMQFSZHEPHN-UHFFFAOYSA-N 359.289 2.348 0 1 FEAF COc1cc(/C=C/C(=O)OCCc2ccc(O)c(N)c2)cc(OC)c1O 653887145 UGUZZQFZQUBDLC-GQCTYLIASA-N 359.378 2.496 0 1 FEAF CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1CC(=O)O 587517070 GMSFIZNZVLXABX-HXUWFJFHSA-N 355.390 2.490 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN[C@@H](C(=O)O)[C@H]31 586989326 FBNDXELCTUZXGH-FWJJRCTFSA-N 372.380 2.464 0 1 FEAF CCC1=C(C)N[C@H]2N(CCC[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)C1=O 587439802 WZZDNJNMNRVAPV-NQERJWCQSA-N 368.433 2.417 0 1 FEAF Cc1cnc(Cl)c2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc12 586928639 GRINZPHOIHPHET-UHFFFAOYSA-N 351.819 2.135 0 1 FEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(F)c(F)c2[nH]1 586929882 HTACRTZSQMYQPT-UHFFFAOYSA-N 353.350 2.376 0 1 FEAF Nc1ncnc2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc12 587003062 JQBMNBNCBFKDAX-ZETCQYMHSA-N 374.198 2.333 0 1 FEAF CC(C)(C)OC(=O)N1C[C@H]2CCc3nc4nc(O)nc(O)c4cc3[C@H]2C1 587558963 VNMVAJWMVLIATC-SKDRFNHKSA-N 358.398 2.333 0 1 FEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](CCN2C(=O)c3ccccc3C2=O)N1 962921942 NUJLNWQNUPZSEY-CVEARBPZSA-N 368.364 2.152 0 1 FEAF O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)C2(O)CC2)CC1 218946030 WBJLUGNDICQMGR-UHFFFAOYSA-N 350.418 2.163 0 1 FEAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 13131363 IAOWFOHKUGTHSM-NSHDSACASA-N 368.846 2.103 0 3 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](C)N[C@H](C)C3)c(F)c21 13649586 WECBMEAZEQONMK-AOOOYVTPSA-N 365.380 2.184 0 1 FEAF O[C@H]1C[C@@](CNCc2ccc(Cl)cc2)(COc2cccnc2)C[C@H]1O 1857620578 OKWCSJBXDWYHKC-BWTSREIZSA-N 362.857 2.406 0 1 FEAF C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@H]4CO)[C@H](O)[C@H](O)[C@@H]12 100780828 FQXFNQBHZJYODR-GKBJPJGHSA-N 352.471 2.034 0 1 FEAF endogenous,in-man C[C@@H]1C[C@@]23C[C@@](C)(CCC[C@H]2[C@]1(CO)CCC(=CCO)CO)OC3=O 2356532713 UWTGBDCCWCEIBB-IMWRDGPWSA-N 352.471 2.188 0 1 FEAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNC[C@@H]1CCc2ccccc2O1 73198269 IFSDSWUCBOYCCT-IRXDYDNUSA-N 357.454 2.177 0 1 FEAF COc1cc(C[C@@H]2C(=O)OC[C@@H]2C(=O)c2ccc(O)c(OC)c2)ccc1O 14646835 VBBXDTGECAKSAY-KBPBESRZSA-N 372.373 2.330 0 1 FEAF biogenic COCC(=O)NC[C@H]1C[C@H]2CCN1C[C@@H]2c1cc(C2CCCC2)nc(C)n1 43527886 SARQLZVJHSQCOR-KURKYZTESA-N 372.513 2.383 0 1 FEAF biogenic O=C(c1cccs1)N1CC[C@H]2CN(C3CCOCC3)CCO[C@@H]2C1 299842737 WLNJXPUIHRBAQG-GOEBONIOSA-N 350.484 2.090 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C(=O)c3cnccn3)CC1)O2 587396441 SIHIOZGIALMYRL-UHFFFAOYSA-N 352.394 2.007 0 1 FEAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587070589 RMMPVXGXCKMICZ-LLVKDONJSA-N 364.858 2.149 0 1 FEAF Cn1c(=O)n(C)c2cc(CNC(=O)c3ccc([C@H]4CCCN4)s3)ccc21 19730960 OSFXGDRZZCJOMN-CYBMUJFWSA-N 370.478 2.293 0 1 FEAF c1cncc(Nc2nccc(-c3cnn4nc(N5CCOCC5)ccc34)n2)c1 1857614749 RAZSXMDDUVIHMN-UHFFFAOYSA-N 374.408 2.162 0 1 FEAF O=C(Nc1cc(Cl)ccc1N1CC[C@@H](O)C1)c1cnn2cccnc12 113655732 ZNAFGEMVUIPGEA-GFCCVEGCSA-N 357.801 2.206 0 1 FEAF Cn1ncc2c(NCC(C)(C)CO)nc(-c3cccc4[nH]ncc34)nc21 64549223 ROHHOJPPPCTPKV-UHFFFAOYSA-N 351.414 2.337 0 1 FEAF CC(=O)OCC1=CC[C@H](OC(C)=O)[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 2356627042 UKBRLNIJFHFROM-UFYSMWGRSA-N 350.411 2.405 0 1 FEAF C1=CC(c2noc([C@@H]3CCCN3C3CCC3)n2)=C[C](N2CCOCC2)N1 2356861047 GYHKBJRKANQRSH-INIZCTEOSA-N 356.450 2.081 0 1 FEAF COc1c(O)cc2c(c1O)C(=O)[C@@H](OC(C)=O)[C@@H](c1ccc(O)cc1)O2 10257221 SZKFMAOEZUMSRT-SJLPKXTDSA-N 360.318 2.060 0 1 FEAF biogenic CC1=CCc2c(cc(O)c3c2O[C@@H](c2ccc(O)c(O)c2)[C@@H](O)C3=O)OC1 15113581 GAIGVUUMNWDLLV-OALUTQOASA-N 370.357 2.362 0 1 FEAF biogenic COc1ccc(CN2C(=O)CNC(=O)[C@@H]2CSCc2ccccc2)cc1 71294388 ZESDYRNDLXWXAO-SFHVURJKSA-N 370.474 2.456 0 1 FEAF NC(=O)c1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1 49784348 QEGIZDZGHARGFS-UHFFFAOYSA-N 363.345 2.351 0 1 FEAF N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O 84689293 UUAYFFUZWPWLFP-INIZCTEOSA-N 352.369 2.085 0 1 FEAF CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4cccnc4F)cc32)N=C1N 95604936 DHZIIPKFSBNMSF-LJQANCHMSA-N 354.385 2.431 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)C3CC3)N(C(=O)CC)[C@H]2CO)cc1 95895229 LDIOELSZPYZCLS-FYVPLHNCSA-N 356.466 2.311 0 1 FEAF C[C@@]12OC(=O)[C@]34CC[C@@H]5[C@@]6(C)CC[C@H](O)CC6=CC[C@]5(O)[C@]3(CC[C@@H]41)O2 255271180 UDUOIVXSFRUATN-UFEZENCUSA-N 360.450 2.447 0 1 FEAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](NC(C)=O)C(=O)OCC)CC2=O 587472171 YBUSTRHXGZXTFB-PKOBYXMFSA-N 363.410 2.136 0 1 FEAF Nc1nccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 587019227 ICJLHUUSDYXOQS-UHFFFAOYSA-N 366.406 2.545 0 1 FEAF C/C=C1\CN(C)C(=O)[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 15203409 SBJLRAOPYMKDRU-FWGSLNKESA-N 366.417 2.491 0 1 FEAF O=C(c1cnn(-c2nc(O)c3c(n2)CCC3)c1)N1CCC(C2CC2)CC1 1857616506 PYVQHUCGCGRFTP-UHFFFAOYSA-N 353.426 2.119 0 1 FEAF c1cnc(CN(CCCN2CCNCC2)[C@H]2CCCc3cccnc32)nc1 1857635255 OHPKTACRETYFKH-IBGZPJMESA-N 366.513 2.047 0 1 FEAF C[C@@H]1C[C@@H]2C(=O)C(C)(C)[C@H](O)CC[C@]2(O)[C@]1(C)CCC1=CC(=O)OC1 2356332979 LEZWSCIWQQGIDL-JEDNSWDISA-N 350.455 2.393 0 1 FEAF CC=C1CN2CC[C@@]34c5ccccc5C[C@@]23CC[C@H]1[C@]4(CO)C(=O)OC 2356335874 GELIUKJJIMDVFO-BRKWEVRTSA-N 353.462 2.447 0 1 FEAF C[C@H]1CCCOc2nn(C)cc2C(=O)Nc2cccc(n2)-c2nncn21 1911583524 JNTRRDGKMKNYAI-NSHDSACASA-N 353.386 2.060 0 1 FEAF C[C@H](C=C[C@](C)(O)C(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)O[C@@H]3CC[C@@]12C 2356573348 KJLCZLBABYCKPW-SRMMZWSESA-N 364.482 2.494 0 1 FEAF CCOC(=O)[C@@H]1[C@H](O)[C@@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 2356612203 XETGZIYAYIKTDY-VINVBIAYSA-N 366.461 2.067 0 1 FEAF COC(=O)C1=C2Nc3cc(O)ccc3[C@]23CCN2CCC[C@]([C@H](C)O)(C1)[C@H]23 2356683858 FHMZPCPNSNRDQC-BMQAXYIDSA-N 370.449 2.122 0 1 FEAF COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCC(C(N)=O)CC3)c2c1 73196151 KFSKZTQJYGPUET-UHFFFAOYSA-N 353.426 2.438 0 1 FEAF CNC[C@@](O)(CCCCCCCCC[C@@H]1CC[C@@H](O)[C@H](C)N1)CC(=O)O 85488307 HZHMEFKKPTWIAR-JRBPQWBISA-N 372.550 2.424 0 1 FEAF biogenic,in-vitro O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1cccc2c1CCCC2 195343555 URKJSKVDJFPMFH-OHHBCXFOSA-N 350.418 2.311 0 1 FEAF O=C1CC[C@@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@H](O)CC5=O 238780532 KNTWJKOMBDNCPG-UIAACRFSSA-N 366.325 2.123 0 1 FEAF Cc1nnc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 254010971 ZYECGCRLWLBAIN-DDHJSBNISA-N 374.466 2.153 0 3 FEAF aggregator COc1ccc(CN2CN3Cc4cc(F)ccc4[C@H]3CS2(=O)=O)cc1 263590560 VYYMBQFIKVTWEA-GOSISDBHSA-N 362.426 2.494 0 3 FEAF C[C@@H]1C[C@H](O)C2=C3CO[C@@](C)(CC[C@@]31C)[C@H](O)CC[C@@]1(C)O[C@@H]1C2=O 85773227 BDCCHDXJUQBCDT-PYCVVEALSA-N 350.455 2.140 0 1 FEAF biogenic CNC(=O)Oc1ccc(-c2cc(=O)n3ncc(-c4ccccn4)c3[nH]2)cc1 653680393 KMHZFXSIBWWWLJ-UHFFFAOYSA-N 361.361 2.470 0 1 FEAF NS(=O)(=O)c1cccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587016122 GUEYNGNEWPUZHX-SNVBAGLBSA-N 350.425 2.185 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1cccnc1N1CCOCC1)[C@@H](C2)C3=O 587440530 AXKFUUCCMUKZFV-KXBFYZLASA-N 352.390 2.416 0 1 FEAF O=C1Cc2c3c(n(-c4cc(F)c(Br)cc4F)c2O1)OC(=O)C3 587943703 OEIUBMHAPFRTJO-UHFFFAOYSA-N 370.105 2.441 0 1 FEAF COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(F)cc32)c1C 169351315 USIZVOMTFILKKX-UHFFFAOYSA-N 361.352 2.030 0 1 FEAF CC1=Nc2ccccc2[C@H]1CCNC(=O)c1cnc(N2CCOCC2)nc1 169352259 XMJMAFVJDUWFEO-INIZCTEOSA-N 365.437 2.323 0 1 FEAF O[C@H]1CCN(Cc2ccccc2)C[C@@H]1N1CCN(c2ccccc2)CC1 169354484 KOMGTYIYTCIZMV-VXKWHMMOSA-N 351.494 2.444 0 1 FEAF Cc1cnc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)cn1 168076607 FBJRSEUHYYZDGG-UHFFFAOYSA-N 367.384 2.356 0 1 FEAF O=C1N[C@@H]2c3cc4ccccc4c(=O)n3[C@@H]1C[C@@]21C(=O)Nc2ccccc21 1857596050 OZTIXZATAJSWCB-LZJOCLMNSA-N 357.369 2.007 0 1 FEAF CNC(=N)N1C=C[C@@H]2CC[C@@H]3[C@H](O)C(C(=O)O)=C4C[C@H]5CC[C@@H](C)[C@]43[C@@]25C1 103524903 SYMFDMQOTJVAQF-AIWLITPLSA-N 371.481 2.174 0 1 FEAF biogenic,in-vitro CC(=O)S[C@@H](C(=O)c1ccccc1)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O 27317027 FLRNAFWKDUMBPC-DIOULYMOSA-N 363.435 2.229 0 1 FEAF O=C(NC[C@@H]1OC[C@H](NC2CCC(F)(F)CC2)[C@@H]1O)Nc1ccccc1 2356287228 FMBCXEFOFCZZKY-JYJNAYRXSA-N 369.412 2.104 0 1 FEAF CSc1ncn(C)c1C[C@@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccc(O)cc21 2356787715 BPUUFIFWXQFNLA-UONOGXRCSA-N 372.450 2.212 0 1 FEAF COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@@H]1C(C)(C)C[C@@H]2NC(C)=O 2356819242 FAKHGLDEZGNTPR-LPWQTFTOSA-N 368.518 2.001 0 1 FEAF c1ccc(CO[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2nnnc2-c2ccccc2)cc1 2356863594 URPGGVLAPQCCPM-AKHDSKFASA-N 364.405 2.264 0 1 FEAF C=CCO[C@@H]1C[C@H]2C(=O)Nc3ccc(Br)cc3C(=O)N2C1 8300696 AVOCFCAIEUKURB-MFKMUULPSA-N 351.200 2.187 0 1 FEAF biogenic O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)NCCc1ccccc1Cl 195480071 QFYPAKIXVQWMJY-KNCCTNLNSA-N 372.852 2.196 0 1 FEAF Cc1ccc(-c2nc(C(=O)NCC(=O)OCC(C)(C)N(C)C)co2)cc1 82072266 OHACRFQVZGMPEG-UHFFFAOYSA-N 359.426 2.263 0 1 FEAF COc1ccccc1CNc1nc(N2CC[C@@H](NC(C)=O)C2)ncc1C 82203730 PCHQYKCBOCYBOJ-MRXNPFEDSA-N 355.442 2.121 0 1 FEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ncnc1O 587588261 SBFMTAJIGJPQBM-BLLLJJGKSA-N 352.302 2.296 0 1 FEAF CN(C)c1ccc([C@@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1 587370012 SNBLEPASNIDSIU-ZDUSSCGKSA-N 350.378 2.149 0 1 FEAF O=S(=O)(NCCc1nc2cc(Cl)cnc2[nH]1)c1ccc(Cl)nc1 586943189 XPQDXXLTLZMEIV-UHFFFAOYSA-N 372.237 2.181 0 1 FEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Br)cnc2[nH]1 587256197 CECODBMUUGDKPU-SECBINFHSA-N 355.236 2.322 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)N1CCCC1 587870078 VSXGNWBFXIOLBT-UHFFFAOYSA-N 368.315 2.235 0 1 FEAF O=C(c1ccc([C@@H]2NCCc3nc4ccccn4c32)cc1)N1CCOCC1 962989465 QGUJCNJYMLDLMF-IBGZPJMESA-N 362.433 2.042 0 1 FEAF Cc1c(N2CC[C@@H]3CNC[C@@H]32)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3637762 COWFHTPTQCUOOY-WBMJQRKESA-N 371.412 2.121 0 1 FEAF O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1nccs1 4223101 ZMRRWMLGIBHURV-NEBZKDRISA-N 359.451 2.449 0 1 FEAF CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 6859985 RNSAKRHYCKLORM-WVKUQDAKSA-N 374.466 2.187 0 1 FEAF O[C@@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)N2NC(c3ccccc3)=CC2=N1 104008185 MHFRIPZLAUONFE-VXGBXAGGSA-N 367.249 2.152 0 3 FEAF CCN1CCN([C@H](CNC(=O)c2ccc(F)cc2)c2cccnc2)CC1 20485554 BVGKJVJSYWZHNB-LJQANCHMSA-N 356.445 2.329 0 1 FEAF COc1ccc(CN2C[C@H]3CN(C(=O)C4CC4)CCN3C(C)(C)C2)cc1 2356303612 ZUKBDDMMMXNPGK-SFHVURJKSA-N 357.498 2.212 0 1 FEAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C)[C@@H]1c1ccccn1 26500993 HXKSFYCMRIYOGG-PQMNFKMDSA-N 359.426 2.435 0 1 FEAF NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1O[C@@H]1CCOC[C@H]12 103253332 FECKRAVCIHUDOA-OGWOLHLISA-N 355.369 2.225 0 1 FEAF CN(C)C(=O)c1cc2c(s1)[C@@H](N1CCCCC1=O)[C@H](O)C(C)(C)O2 27440583 IRDROHTWAPJYMT-HIFRSBDPSA-N 352.456 2.035 0 1 FEAF CCN1CCC[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)C1 26376634 BINQIJHLGNUKBW-LSDHHAIUSA-N 358.438 2.475 0 1 FEAF Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nc3c2C(=O)NC3)c1 117722816 VPNLOOYVNORYBV-UONOGXRCSA-N 352.442 2.454 0 1 FEAF in-vitro C[C@H]1C[C@@H](S(=O)(=O)c2ccccc2)[C@@]2(OCCC[C@H]2C)O[C@@H]1CO 26158113 GIPDHNGRWDKPKW-YKJOPOJSSA-N 354.468 2.389 0 1 FEAF O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2 82204566 TWSQBZHFTXEQGB-UHFFFAOYSA-N 372.425 2.297 0 1 FEAF Cc1nc2c(N3CCOCC3)nccn2c1-c1cnn(CC(F)(F)F)c1 142941186 WGEADVUGDMYSLY-UHFFFAOYSA-N 366.347 2.300 0 1 FEAF COc1cc(C[C@H]2COC(=O)[C@H]2C(=O)c2ccc(O)c(OC)c2)ccc1O 96014418 IHQUAAXBXPJDEX-SCLBCKFNSA-N 372.373 2.330 0 1 FEAF biogenic CCOC(=O)CN(C)c1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587385114 BRNOSPYDCOWEOM-INIZCTEOSA-N 370.409 2.073 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587232041 RSFDFGMKXBUQLM-CABCVRRESA-N 372.469 2.301 0 1 FEAF CCOC(=O)C[C@@]1(c2nccn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431999 SSZIHJAFPIFNLW-BFUOFWGJSA-N 356.378 2.025 0 1 FEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)F)cnc2[nH]1 587204871 TZZGCMIJKHZXIE-SNVBAGLBSA-N 357.336 2.056 0 1 FEAF CCn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2N2CCOCC2)cn1 587651376 RTAIBCHPFLBOMJ-UHFFFAOYSA-N 374.466 2.291 0 1 FEAF CCCS(=O)(=O)N1CCC(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC1 586952802 NZEZWWULAJJGIZ-HNNXBMFYSA-N 365.459 2.206 0 1 FEAF COC(=O)C1=C(C)NC(c2nccs2)=N[C@@H]1c1cccc(C(=O)O)c1 1772638285 OAGWNSIMBFTLKX-CYBMUJFWSA-N 357.391 2.379 0 1 FEAF COc1ccc(CCNC(=O)c2cc3c(C)nccc3[nH]c2=O)cc1OC 13520779 IAGPVYGCMUEMQJ-UHFFFAOYSA-N 367.405 2.221 0 3 FEAF CCN1CCN(N(Cc2ccncn2)[C@H]2CCCc3cccnc32)CC1 1857646318 STTQFEWOOMJOTH-IBGZPJMESA-N 352.486 2.304 0 1 FEAF NC(=O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1 3633121 VCEZQMIASDINEN-LBPRGKRZSA-N 373.390 2.092 0 1 FEAF C[C@H](CCc1ccc(N(C)C)cc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27745114 XRIRNXLNSXNEBK-JLTOFOAXSA-N 371.481 2.201 0 1 FEAF C[C@H]1CC[C@@H](C)N1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28891817 GBQZPHGKWXWKET-UXLLHSPISA-N 362.495 2.352 0 1 FEAF CCOC(=O)[C@H](C)NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12 26567894 XVGAJGMPZMGVLG-QMMMGPOBSA-N 367.199 2.181 0 1 FEAF COc1cc([C@H]2Oc3cc(C=CCO)ccc3O[C@@H]2C(=O)O)ccc1O 2356394907 IWZNJWBNFYXWGT-MSOLQXFVSA-N 358.346 2.372 0 1 FEAF CC(C)(CNC(=O)c1cnc(N2CCC(CO)CC2)cn1)c1ccccc1 28882493 BVJNKIJCWGTNAL-UHFFFAOYSA-N 368.481 2.393 0 1 FEAF CC(=O)N1CCC(N2C[C@@H](F)[C@H](OCc3nc4ccccc4n3C)C2)CC1 2356535912 CHCURQNMXGOURQ-VQIMIIECSA-N 374.460 2.123 0 1 FEAF CC(=O)NC[C@H]1CN(c2ccc(-n3ccc([C@@H](C)O)c3)c(F)c2)C(=O)O1 28091267 WYWPZXVETWLPPA-ABAIWWIYSA-N 361.373 2.131 0 1 FEAF OCCN1CCN(c2nccc(NCc3cccc4ccccc34)n2)CC1 72123405 DHFIEEAUWIMEDU-UHFFFAOYSA-N 363.465 2.356 0 1 FEAF Cc1[nH]c2ccccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 36006788 JUCVXJCJKICIPV-UHFFFAOYSA-N 366.421 2.466 0 3 FEAF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C(=O)O[C@H]5O[C@@H](O)[C@]3([C@H](O)C[C@H]12)[C@H]54 145316078 MNUYABQMPNQNRT-RZZOPUSVSA-N 350.455 2.444 0 1 FEAF O=C(C[C@H](CO)C(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 40392982 YNDXXIPMXGSUGT-CYBMUJFWSA-N 356.330 2.208 0 1 FEAF biogenic COC(=O)c1ccnc2[nH]c(C[C@@H](NC(C)=O)c3ccc(C)cc3)nc12 587216498 CKSKUBSLLBMBFN-OAHLLOKOSA-N 352.394 2.473 0 1 FEAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cnc(Cl)[nH]c-3n2)cc1 587223845 GVFNYKUCXUJZJG-UHFFFAOYSA-N 374.788 2.456 0 1 FEAF Cc1[nH]c2cccc(F)c2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O 587636763 HTRVGNCLSLMNLG-DLBZAZTESA-N 371.416 2.110 0 1 FEAF CN1CCc2c(Br)cccc2[C@]1(C)CN1C(=O)CCC1=O 963278984 DDEBCARENDHPEK-INIZCTEOSA-N 351.244 2.301 0 1 FEAF COc1cc2c(cc1OC)[C@](C)(c1c(C)[nH]n(C(C)=O)c1=O)N(C)[C@@H](C)C2 962621941 HYKMHNQCYAKRED-PRWKNARSSA-N 373.453 2.302 0 1 FEAF O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1(NS(=O)(=O)c2cccc(Cl)c2)CC1 1772632912 RANKTIHWRDBECF-HUBLWGQQSA-N 368.886 2.456 0 1 FEAF COCCN1Cc2cccc(C(=O)NCc3cccc(N(C)C)c3)c2C1=O 206066155 UEHQRWBWYVXMBD-UHFFFAOYSA-N 367.449 2.285 0 1 FEAF O=C(NC[C@@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166642005 CAAZCWZYLWBLGF-AWEZNQCLSA-N 366.421 2.396 0 1 FEAF CCCc1ccc(OCC(=O)N(CC(=O)N=c2cco[nH]2)C(C)C)cc1 1857597866 HQSWSDWYNGRIOF-UHFFFAOYSA-N 359.426 2.304 0 1 FEAF COCCNc1c(-c2ccc3nccn3c2)nc2ccc(C(=O)OC)cn12 1857598177 PFHUCNXKJAUXFJ-UHFFFAOYSA-N 365.393 2.494 0 1 FEAF O=C(O)[C@@H]1CCCN(Cc2ccc(CN3CCC[C@@H](C(=O)O)C3)cc2)C1 29489908 HMWWUPSOQXQIIP-QZTJIDSGSA-N 360.454 2.280 0 1 FEAF COc1ccc([C@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)cc1 28468648 KECQJHWYDSLEDP-SJLPKXTDSA-N 358.394 2.131 0 1 FEAF O=c1cc(-c2ccccc2)oc2cc(O)c(OP(=O)(O)O)c(O)c12 72283591 KFSQDNAXPRHQAC-UHFFFAOYSA-N 350.219 2.343 0 1 FEAF NC1=N[C@]2(CO1)c1cc(Br)ccc1O[C@H](C1CC1)C21COC1 149290860 YRMAWAYLQWOXON-CZUORRHYSA-N 365.227 2.177 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12 587970140 ZPXFDOGXNVLFQG-WIYZNGBFSA-N 373.478 2.460 0 1 FEAF COC(=O)[C@@H]1CSC[C@@]12c1cc(OC)c(OC)cc1C[C@@H](C)N2C 962576286 SZWROOZKUIZUNZ-CDNVCLAFSA-N 351.468 2.312 0 1 FEAF O=C(O)c1cccc2c1CCN[C@]21CCC[C@@H](c2cnc(O)nc2O)C1 963128555 BOUBHMQGFCDDII-WYRIXSBYSA-N 355.394 2.285 0 1 FEAF COc1c(O)cc2c(c1OC)-c1ccc(O)c(=O)cc1[C@H](NC(C)=O)CC2 13434598 KBHVKXILRXPJLA-CQSZACIVSA-N 371.389 2.266 0 1 FEAF biogenic COC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2c1CC[C@H](C)C2 1857570696 YYXXYBFVQJWGOG-NSHDSACASA-N 351.472 2.439 0 1 FEAF CN1CC(n2cc(-c3ccc(Cl)c(NC(=O)c4coc(=N)[nH]4)c3)cn2)C1 1857544203 OPAGJVUYAVISMN-UHFFFAOYSA-N 372.816 2.343 0 1 FEAF Cc1c(C(=O)N2CCC(C3CC3)CC2)cnn1-c1nc(O)c2c(n1)CCC2 1857598162 MVNRRKJQPQGBDT-UHFFFAOYSA-N 367.453 2.427 0 1 FEAF Cc1nc(-c2nc(=NC3CC(F)(F)C3)[nH]c(=NC3CC(F)(F)C3)[nH]2)co1 1857772228 YBHPSBQYBQRDEV-UHFFFAOYSA-N 372.326 2.098 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@H](NC2CCC2)C[C@H]1O 2356286803 AEBVDLZPPSAPCK-VNTMZGSJSA-N 353.466 2.186 0 1 FEAF COCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 2356288942 NBNLGCIOIFPKFQ-ZVDOUQERSA-N 374.481 2.032 0 1 FEAF O=Cc1nccnc1NCC(=O)N1CCC(Oc2ccccc2Cl)CC1 52988097 SFIKGBKMOQHADS-UHFFFAOYSA-N 374.828 2.424 0 1 FEAF NCCN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28126318 LQAVOJIDWONKIC-UHFFFAOYSA-N 362.861 2.281 0 1 FEAF CC(=O)N1CCC(N2C[C@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)CC1 2356535907 CHCURQNMXGOURQ-LPHOPBHVSA-N 374.460 2.123 0 1 FEAF O=C1O[C@H](O)[C@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2 2356596616 OFNLHWUUBXCFIC-VLIAUNLRSA-N 368.341 2.262 0 1 FEAF O=C(NCCN1CCN(c2ccncc2)CC1)c1cc2cc(F)ccc2[nH]1 72137539 MDWYGHYENAFFQM-UHFFFAOYSA-N 367.428 2.254 0 1 FEAF C[C@H](C(=O)N=c1sc2ccccc2n1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 261083574 CCKDKMSKFQFKFL-AGIUHOORSA-N 369.446 2.007 0 3 FEAF CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(CC[C@@H]1O)[C@@H]42 85982284 WIULGYANQGQQJM-NASSWSRMSA-N 354.450 2.416 0 1 FEAF biogenic COc1cc(OC)cc(C(=O)NCCCN=c2[nH]c3ccccc3[nH]2)c1 473136155 YFGBOABSALASQX-UHFFFAOYSA-N 354.410 2.234 0 1 FEAF COc1cc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2cn1 586941051 NJRPGESTJDYTJB-BQYQJAHWSA-N 358.423 2.365 0 1 FEAF CCCc1sc(N)nc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587013561 QQAXKOJQCITLOW-UHFFFAOYSA-N 365.484 2.471 0 1 FEAF CN1[C@H]2C[C@H](O)[C@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588183 PJACZMRDANBQKS-ZDYQNDFKSA-N 367.401 2.320 0 1 FEAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3CSCC(=O)N3)nc2c1 587044202 RRWJJLQFKOCHLD-VIFPVBQESA-N 370.228 2.016 0 1 FEAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(C[C@@H](N)C(=O)O)c2c1 587650171 GNAJCGXOEVVZLN-OAHLLOKOSA-N 358.419 2.193 0 1 FEAF COc1cc(N)c([C@@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1OC 962894140 HOLPTTDDVGPFIQ-KXBFYZLASA-N 360.385 2.288 0 1 FEAF O=C(Nc1ccccc1)c1c(NCc2ccccc2)nc(O)n(O)c1=O 1772575345 SUYPZMCHYONCMI-UHFFFAOYSA-N 352.350 2.051 0 1 FEAF CC(C)=CC(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2[C@@H](O)CC(=O)[C@]21C 5735867 NVWSHXGIQXQTBM-SLLDRMNISA-N 364.438 2.038 0 3 FEAF COc1cc2c(c(OC)c1O)-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2 5884024 VHIVSZXYLQFNPC-AWEZNQCLSA-N 371.389 2.266 0 1 FEAF biogenic CC[C@H](C)CN1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1 13743356 YZNGBSJDRHHBLM-VIFPVBQESA-N 366.259 2.383 0 1 FEAF COCC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 2356288941 NBNLGCIOIFPKFQ-ZJOUEHCJSA-N 374.481 2.032 0 1 FEAF C[C@@H]1C(=O)[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@]2(O)C[C@H](O)[C@H]1C3 2356419155 IZIVAPRKBMMUKE-APJGWMMDSA-N 350.455 2.385 0 1 FEAF Cc1cccc2c(Cc3ccccc3)cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c12 66112995 PYNAREQLPKPACI-GFOJFJKKSA-N 353.418 2.152 0 1 FEAF CC1(n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC[C@@H](N)C4)c(F)c32)CC1 27526037 DJBSZWOETUKXOP-SECBINFHSA-N 363.364 2.024 0 1 FEAF C[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 26974524 OIGPMJCLTDSPPN-JCGGZPEISA-N 374.477 2.236 0 1 FEAF CC(C)(O)[C@H](O)Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12 14819534 ZPPVCMASJXQQMG-MRXNPFEDSA-N 372.373 2.251 0 1 FEAF biogenic COc1cc([C@H]2C[C@@H](O)C[C@@H]([C@H](O)Cc3ccc(O)cc3)O2)ccc1O 238762365 UKFYIKOSRJMAAB-UIXUWTQFSA-N 360.406 2.291 0 1 FEAF Cc1ccccc1CN1C(=O)NC2(CCN(Cc3ccccn3)CC2)C1=O 96286152 HQCLENSXWMVOEV-UHFFFAOYSA-N 364.449 2.477 0 1 FEAF CC(=O)N1CCCN([C@@H](C(=O)O)c2ccccc2OC(F)(F)F)CC1 95382746 YOIPUPNCZWKQSJ-CQSZACIVSA-N 360.332 2.265 0 1 FEAF CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccco1)CC(=O)C[C@H]2c1ccco1 473249660 XUAZIDNWXRBSJM-BETUJISGSA-N 370.361 2.140 0 1 FEAF COC(=O)c1ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c1OC 587094243 NUNBAEUSSLLOGU-ZETCQYMHSA-N 359.304 2.488 0 1 FEAF CCOC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccccn1 587651318 QJRLVFZECFBDEB-UHFFFAOYSA-N 372.402 2.374 0 1 FEAF CS(=O)(=O)Nc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 586950099 ACUKORBMUODNDW-UHFFFAOYSA-N 368.216 2.106 0 1 FEAF CCOC(=O)[C@@H]1COC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617517 PYXFWTYPLGYRID-ZSOFBXJNSA-N 370.357 2.302 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccccc1OCC(=O)O)NCC2 962928594 SEJCIJHQUINYPE-LJQANCHMSA-N 354.406 2.087 0 1 FEAF O=C(CCC1CCN(C(=O)[C@@H]2CCOC2)CC1)NCc1ccc(F)cc1 12465869 JTORYBKDSZMVKI-QGZVFWFLSA-N 362.445 2.497 0 1 FEAF COC[C@@H](C)NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166842322 IUGOYKSTOMDMIJ-CYBMUJFWSA-N 354.410 2.394 0 1 FEAF NCCCCNc1ncc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1 2007261 FXFUDZRQTGOJSU-UHFFFAOYSA-N 368.363 2.489 0 1 FEAF COC(=O)C1=C[C@@H]2[C@H](CCN3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]23)[C@H](C)O1 2356398084 VVECRUHJDJLLEQ-KKAMHHQWSA-N 368.433 2.063 0 1 FEAF CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 102001558 ARIRVMSWRDGEGN-NDMKSSLKSA-N 371.433 2.491 0 1 FEAF CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N)c1 114348756 OFGXCCDXYUXZLX-INIZCTEOSA-N 350.426 2.026 0 1 FEAF Cc1ccc2c(NC(=O)[C@@H](C)O)c(O)c3c(c2n1)C=C[C@@]1(C)CCC(=O)N31 2356834792 KEVHVUDICWQEAA-GIPWTMENSA-N 367.405 2.480 0 1 FEAF CCN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O 40511791 WKEIKXFHZPLRFZ-UHFFFAOYSA-N 351.409 2.033 0 1 FEAF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO 40698583 XTLSVXWJVRKFIP-YHOQKLRXSA-N 374.477 2.236 0 1 FEAF Cc1c(C(=O)N2CCc3c(nnn3-c3ccccn3)C2)ccc(F)c1F 225997799 DCNMCWIFNKNRHG-UHFFFAOYSA-N 355.348 2.447 0 1 FEAF O=C(CCC(=O)OCC(F)(F)F)NC(=S)Nc1ccc(Cl)cn1 68576357 CRFPIPATZPIBST-UHFFFAOYSA-N 369.752 2.434 0 1 FEAF biogenic NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC1CC1 299867848 QOVWUNMVGQARNT-UHFFFAOYSA-N 358.423 2.441 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 586899568 PXDQJZYWHFRRSX-UHFFFAOYSA-N 363.483 2.398 0 1 FEAF COC(=O)c1ccc(OCC(N)COc2ccc(C(=O)OC)cc2)cc1 2178320240 RKLDNSLTQXBKEP-UHFFFAOYSA-N 359.378 2.045 0 1 FEAF COC(=O)c1cc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cnc1Cl 962917251 FNHTXVYOYKPLOK-GXTWGEPZSA-N 364.760 2.349 0 1 FEAF COc1ccccc1CN1C[C@@H](C(=O)NCc2ncccc2C)CCC1=O 12304443 RRZQXAHENXGZOG-KRWDZBQOSA-N 367.449 2.454 0 3 FEAF CCc1cc(C(=O)N2CC[C@H](C3CCN(c4ncccn4)CC3)C2)on1 14976972 GKXCVMHLSWCXAU-HNNXBMFYSA-N 355.442 2.406 0 1 FEAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 169306104 PAALMPCHQXIBEW-QJYLANQSSA-N 369.461 2.074 0 1 FEAF Cc1cc(C)n2nc(CC(=O)N3CCCn4c3nc3ccccc34)nc2n1 1857555496 JBJJHTQRGVGSCN-UHFFFAOYSA-N 361.409 2.070 0 1 FEAF Cc1cnn(-c2ccncc2N2CCC(C(=O)N3CC[C@H](F)C3)CC2)c1 1857580354 QVTMVOBQAZQERE-INIZCTEOSA-N 357.433 2.363 0 1 FEAF COCCN1CCN(C(=O)C[C@@H]2C[C@H](C(C)C)[C@H](CO)C=C2C)CC1 2356311329 HFYNVMFMXANLJT-GBESFXJTSA-N 352.519 2.014 0 1 FEAF Cc1ccc(N(C(=O)[C@H]2CCCO2)[C@H]2C=CS(=O)(=O)C2)cc1Cl 4111023 BWJGKXSXCKFCJH-DZGCQCFKSA-N 355.843 2.471 0 3 FEAF O=C(NCC1CCOCC1)c1n[nH]c2ccc(-c3cnccc3CO)cc12 1911578758 JIRLCHVAMIDNRT-UHFFFAOYSA-N 366.421 2.274 0 1 FEAF CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2F 101161423 YQVRBZDSASHMKI-LZVGCMTRSA-N 362.397 2.080 0 1 FEAF CC(C)(C)C(=O)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 22472645 VZYVRYDOHHFTJP-LTGZKZEYSA-N 357.454 2.229 0 1 FEAF COc1cc2c(cc1O)[C@@H]1O[C@H](O)c3c(ccc4c3OCO4)[C@@H]1NCC2 2356727428 NFGXPXULMFBCLB-LNLFQRSKSA-N 357.362 2.079 0 1 FEAF CCOC(=O)[C@@]1(O)Oc2cc(OC)cc(OC)c2C(=O)[C@H]1c1ccccc1 3978965 BSEKDHRYMZTILL-XLIONFOSSA-N 372.373 2.314 0 1 FEAF biogenic,in-vitro CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 8299625 RMJBEBKMWSXFSG-INMHGKMJSA-N 371.485 2.195 0 1 FEAF biogenic COc1ccc(CNc2nc(N3CCN(C)CC3)ncc2C)cc1OC 82202777 ODTDPCVQYOMUSZ-UHFFFAOYSA-N 357.458 2.166 0 1 FEAF NS(=O)(=O)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 84655151 UJZSCIYBFDLVFG-UHFFFAOYSA-N 365.455 2.359 0 1 FEAF C=CS(=O)(=O)Nc1ccc(Cc2nn(C(C)C)c3ncnc(N)c23)cc1 148270377 RUZKITYPYMLMNE-UHFFFAOYSA-N 372.454 2.465 0 1 FEAF O=P(O)(O)C(F)(Cc1cncc(-c2ccccc2)c1)P(=O)(O)O 84669164 LFOWDGCSYVDQLO-UHFFFAOYSA-N 361.202 2.270 0 1 FEAF CCC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O 95895351 CXRQKXDLSRZGRM-ZJOUEHCJSA-N 356.466 2.455 0 1 FEAF O=C(O)c1cc(Br)cc2nc([C@H](O)C3CCOCC3)[nH]c12 586914228 XQNYALKBFOKXBP-GFCCVEGCSA-N 355.188 2.484 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C=NN(CC(=O)O)c4ccccc41)[C@@H](C2)C3=O 587437218 XUXAGCPXONXYRN-XOBRGWDASA-N 364.357 2.229 0 1 FEAF Nc1ncnc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc12 586969579 MZCIPWJRYAJUGD-UHFFFAOYSA-N 369.366 2.006 0 1 FEAF Cc1nnc2sc(C(=O)N3CC(O)(c4ccccc4)C3)c(N)c2c1C 220923841 JPODRQWISNXRKI-UHFFFAOYSA-N 354.435 2.234 0 1 FEAF O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc2ncccc12 169299752 BOLBRZWHNIBFRJ-JFBTYQKCSA-N 373.412 2.226 0 1 FEAF C/C=C1/CN2CC[C@@]34C(=Nc5ccccc53)[C@@](CO)(C(=O)OC)[C@H]1C[C@H]24 205357954 DSOCELULQRKOMA-OQTQPSEISA-N 352.434 2.216 0 1 FEAF Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(C)(=O)=O)cc1F 3894661 SLSPEVODIDKWJA-QGZVFWFLSA-N 362.426 2.459 0 1 FEAF Cc1cccc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 4273364 JAVGVZZSDSKLCZ-ZDUSSCGKSA-N 368.393 2.088 0 3 FEAF C[n+]1cccc(C(=O)NCCc2ccc([125I])cc2)c1 102092184 BAQMLIOILCKAGI-RFLHHMENSA-O 365.211 2.088 0 1 FEAF COc1ccc(-c2nc(CN)c(C(N)=O)o2)c2ccc(C(F)(F)F)nc12 28950203 NWFJMJULGQFFFR-UHFFFAOYSA-N 366.299 2.475 0 1 FEAF CCCCNC(=O)[C@]1(C)CCN1C(=O)c1cncc(Br)c1 61897804 OLMPEGALVBJYHO-HNNXBMFYSA-N 354.248 2.365 0 3 FEAF CC[C@H](C)[C@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)O 15955877 XYUOOKWIMSDRCG-BTDLBPIBSA-N 361.394 2.273 0 1 FEAF biogenic O=C(O)CSc1ncnc2cc(I)sc12 72124612 FZIZGOLIBCRLJL-UHFFFAOYSA-N 352.178 2.473 0 1 FEAF CCC[C@@H]1C[C@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40935717 PWEBRGHKELGZDJ-OCCSQVGLSA-N 352.822 2.437 0 1 FEAF CCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O 95895353 CXRQKXDLSRZGRM-SFHLNBCPSA-N 356.466 2.455 0 1 FEAF C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 95675526 PHXITHQOKRDDQC-FCLVOEFKSA-N 374.481 2.079 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(C(=O)OC)c2[nH]1 587232099 TUOFGPJQDBSVFN-OLZOCXBDSA-N 359.426 2.386 0 1 FEAF Cn1cc([C@@]2(C(=O)O)c3cccc(F)c3CCN2[C@@H]2CCSC2)cn1 962721757 WNKYDRPSBORLKV-ACJLOTCBSA-N 361.442 2.251 0 1 FEAF CN1CCN(c2nccc(CN(C)[C@@H]3CCCc4cccnc43)n2)CC1 1857762765 SHYOPKGHEZXRKO-GOSISDBHSA-N 352.486 2.133 0 1 FEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@H](Oc2ccc(F)cc2)C1 1259846599 CYLQZSLZUAXJLM-AWEZNQCLSA-N 365.382 2.396 0 1 FEAF C[C@@]1(C(=O)NCCCN2CCCC2=O)CON=C1c1ccc(Cl)cc1 2462471 IITPWGVDFZISRJ-GOSISDBHSA-N 363.845 2.209 0 1 FEAF O=C(O)CCC[C@@H](O)C=CC=CC=C[C@H](O)CC=CCCCCC(O)O 2356285046 ZZSBUQYGAPWEOJ-MSOLQXFVSA-N 368.470 2.449 0 1 FEAF O=C([C@@H]1CCOC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 101357509 IWNSSSZVCTUKAL-APIJFGDWSA-N 370.478 2.358 0 1 FEAF CC=C1CN2CC[C@]34c5ccc(OC)cc5N(C(C)=O)[C@@H]3[C@@H](CO)[C@H]1C[C@@H]24 2356378419 JPKPBLJUUCAYPU-RNWQKYJXSA-N 368.477 2.331 0 1 FEAF O=C(O)c1ccc(CN2C[C@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)cc1 2356516371 VVKCKHPQPJRUFV-GOEBONIOSA-N 370.384 2.395 0 1 FEAF CC=C1CN(C=O)[C@H]2C[C@H]1[C@H](C(=O)OC)[C@@]13CCO[C@]21Nc1ccccc13 2356553093 NKMFTVSMLXLPDB-LZNWJPJUSA-N 368.433 2.063 0 1 FEAF C[C@]12CC[C@@H]3[C@]45CC[C@H](O)C[C@]4(O)CC[C@@]3(OC5)[C@@H]1CC[C@H]2C(=O)O 2356655824 MAUIYISYPHUCFP-ASWLMGSUSA-N 350.455 2.339 0 1 FEAF CN(C)CCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1 40380614 MKFBFGXYGIKOGL-UHFFFAOYSA-N 362.455 2.335 0 1 FEAF O[C@H]1CCN(Cc2ccccc2)C[C@H]1N1CCN(c2ccccc2)CC1 40565573 KOMGTYIYTCIZMV-YADHBBJMSA-N 351.494 2.444 0 1 FEAF CCOC(=O)C(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599603 YERYBJNWYMCRLG-LIRRHRJNSA-N 356.330 2.245 0 1 FEAF COc1cc2c3c(c1)O[C@]1(CS(=O)(=O)N(C)c4ccccc41)[C@@H](C2)C3=O 587451644 KVBPVHICEQXFLP-LIRRHRJNSA-N 371.414 2.118 0 1 FEAF CC1(C)OC(=O)C(c2nc3c(Cl)c(Br)cnc3[nH]2)=C1N 587255724 VBMJEGWQVLKFGH-UHFFFAOYSA-N 357.595 2.379 0 1 FEAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnnc(O)c2[nH]1 587112042 GHKNPSCZHIJQOL-OAHLLOKOSA-N 365.315 2.477 0 1 FEAF COc1cc(C)c(O)n1-c1nn(-c2ncccn2)cc1Br 587940953 QNOHJAKKYAGPSA-UHFFFAOYSA-N 350.176 2.238 0 1 FEAF O=C(N[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1)OCc1ccccc1 587556753 ZRJJGUPYMRKWMO-ZDUSSCGKSA-N 366.377 2.220 0 1 FEAF CC[C@]1(c2cccc(C)c2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963220172 MKLVVVWQKSSEQT-FIKGOQFSSA-N 364.449 2.130 0 1 FEAF CN1C(=O)C[C@H]2CN[C@@H](c3cnc(N4CCOCC4)s3)c3cccc1c32 963034975 VZNRLBNEWJZGCX-KPZWWZAWSA-N 370.478 2.122 0 1 FEAF Cn1cccc1CN1CCc2sccc2[C@]12CC[C@H]1[C@H]2CN[C@H]1C(=O)O 962374148 NXMOTYFJEQECGT-UQWBFEFOSA-N 371.506 2.423 0 1 FEAF Cc1c[nH]c(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1 15936405 CXCJFPZKTGOFCW-CQSZACIVSA-N 360.845 2.427 0 3 FEAF CCOC(=O)C1CCN(C(=O)Cc2c(C(=O)O)n(C)c3ccccc23)CC1 3660281 VFRMGHBYSYWSGN-UHFFFAOYSA-N 372.421 2.221 0 3 FEAF O=C(Nc1ccccc1)N1CCN2C(=O)N(C3CCCCC3)C(=O)[C@@H]2C1 6137738 AXQCLRPRMBJDSG-INIZCTEOSA-N 356.426 2.500 0 1 FEAF biogenic COC(=O)NC[C@@H](c1cccnc1)N1CCN(c2ccccc2OC)CC1 59833453 PVAUOICIBIHRDH-SFHVURJKSA-N 370.453 2.310 0 3 FEAF CC(=O)Nc1nc(C(=O)Nc2cnc(N)cc2N2CCCCC2)cs1 103237649 AFFOABSVCODFGC-UHFFFAOYSA-N 360.443 2.321 0 1 FEAF CC(=O)OCC1=CC[C@H](OC(C)=O)[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@H]12 2356627039 UKBRLNIJFHFROM-CIXSMPBYSA-N 350.411 2.405 0 1 FEAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 2356661421 AIGZESIAVXHCJQ-HCXYKTFWSA-N 370.497 2.075 0 1 FEAF CN[C@@H](C)C(=O)Nc1nc2c(s1)CC[C@H]2C(=O)NCc1ccccc1 45245192 SNNNQQHQKSMHBH-WCQYABFASA-N 358.467 2.036 0 1 FEAF CCCn1c(=O)c2c(nc(-c3ccccc3)n2C)n(C[C@H]2CCCO2)c1=O 45364041 VCIIOUUPQGNWHP-OAHLLOKOSA-N 368.437 2.153 0 1 FEAF CN(C)CCCNCc1cc2n[nH]c(=O)n2c2cc(-c3ccc[nH]3)ccc12 84603104 MJRDQBBBTINMDF-UHFFFAOYSA-N 364.453 2.212 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C[C@H]4[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@@]4(C)O3 238762028 NJCOYDCWMCJBNU-NVUQPIEKSA-N 364.438 2.135 0 1 FEAF C=CCN1C(=O)[C@H]2C[C@H](NC(=O)c3ccc(F)c(Cl)c3)CCN2C1=O 25189328 PGLKUIMQFBQOOW-BXUZGUMPSA-N 365.792 2.190 0 1 FEAF biogenic CN(C)C(=O)c1ccc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc2c1 586951350 XKMNMUFXUANYMN-UHFFFAOYSA-N 358.423 2.303 0 1 FEAF O=C(CCc1nc2ccc(-n3cnnn3)cc2[nH]1)Nc1cccc(F)c1 587161818 FXNFQGIQRBQDNR-UHFFFAOYSA-N 351.345 2.249 0 1 FEAF CS(=O)(=O)c1cccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 586926167 LKUAIAYARDTPAX-UHFFFAOYSA-N 371.462 2.466 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587232043 RSFDFGMKXBUQLM-HUUCEWRRSA-N 372.469 2.301 0 1 FEAF O=C([C@H]1CCN(c2ccccc2)C1=O)N1CCC(N2CCSCC2)CC1 12702080 AOZOKLWMHOCAQJ-GOSISDBHSA-N 373.522 2.079 0 1 FEAF O=C1[C@H]2CCCCN2C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 13760042 DLTBCSWNYGSURL-MRXNPFEDSA-N 362.861 2.236 0 1 FEAF CC(C)[C@H](N[C@@H](c1cccnc1)c1nnnn1C1CCCCC1)C(=O)O 1857580683 CQCOVIGETAONDC-HOTGVXAUSA-N 358.446 2.362 0 1 FEAF Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C[C@@H]1CCCNC1 8581943 MVFQHVQABARLKS-SNVBAGLBSA-N 358.833 2.434 0 1 FEAF CCN(C)[C@@H]1c2ccccc2C2(CCN(c3nccc(OC)n3)CC2)[C@H]1O 23214625 SPEHZCYECURTDE-MOPGFXCFSA-N 368.481 2.391 0 1 FEAF CC(C)Oc1cccc(NC(=O)c2cncc(N3C[C@@H]4CNC[C@@H]4C3)n2)c1 73166346 JFNIDOODFZIFIJ-GASCZTMLSA-N 367.453 2.172 0 1 FEAF CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1COc2ccccc2O1 84669470 FLVIWEMSLONIOJ-QFBILLFUSA-N 367.401 2.343 0 1 FEAF NC(=O)CNc1nc(-c2ccncc2)nc2c(Br)csc12 223662574 IIHNXOXHIQQZOX-UHFFFAOYSA-N 364.228 2.413 0 1 FEAF OCc1cnn(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140158716 MEOIACAJSPDXJJ-UHFFFAOYSA-N 358.405 2.307 0 1 FEAF CO[C@](C)(C[C@@H]1C=C(C)C(=O)O1)[C@H](O)COc1ccc2ccc(=O)oc2c1 85759480 RQBQLXAWTWABLH-XAUMDUMWSA-N 374.389 2.200 0 1 FEAF biogenic Cn1ncc(NC(=O)c2ccccc2)c1N1CC[C@H](O)CC(F)(F)C1 473135587 JSNGZAWCGLCKDR-ZDUSSCGKSA-N 350.369 2.269 0 1 FEAF CCn1cc(Br)c(Cc2nc3c(C(=O)OC)ccnc3[nH]2)n1 587001365 WQDDWHXGBFBCSJ-UHFFFAOYSA-N 364.203 2.314 0 1 FEAF NS(=O)(=O)c1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167373 RTWVJUVCRCXIJW-BQYQJAHWSA-N 360.370 2.001 0 1 FEAF CN(C)C(=O)Cc1nc2c(Br)cnc(Br)c2[nH]1 587197088 IGAYSJOETNSBTM-UHFFFAOYSA-N 362.025 2.114 0 1 FEAF O=C(CN1CCOCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660256 DOTJHXLHEABAJH-UHFFFAOYSA-N 367.380 2.175 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587230577 IFDVDXOPKIVBBD-QWHCGFSZSA-N 359.426 2.371 0 1 FEAF Cc1nn(C)cc1[C@]1(CC(=O)C(F)F)NCCc2c1c(C(C)C)nn2C 962922265 QVPSTVRBRVQDDW-SFHVURJKSA-N 365.428 2.199 0 1 FEAF COc1ccc(C[C@@H](NC=O)C(=O)Cc2ccc(OC)c(OC)c2)cc1 2356323525 BZHZHBJDEXREKK-QGZVFWFLSA-N 357.406 2.181 0 1 FEAF COC(=O)c1cc(-n2cc(-c3cc(OC)cc(OC)c3)nn2)ccc1O 53294575 VKJINDQURJNSNA-UHFFFAOYSA-N 355.350 2.444 0 1 FEAF C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]34C[C@H](O[C@@H]4O)[C@H]12 27843815 QUQBHBRVKLEOEI-APPPZISSSA-N 360.450 2.003 0 1 FEAF CC=C1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O 2356725259 BERYBAUEDCRDKM-GWUXTAKYSA-N 350.418 2.313 0 1 FEAF Cn1c(N)nc2c(Oc3ccc(C(=O)NCCC(=O)O)cc3)cccc21 40862481 DEGSBCDGZXIDKC-UHFFFAOYSA-N 354.366 2.152 0 1 FEAF Cn1c(C(=O)NCCCC(=O)O)cc(Br)c1Br 45366773 ZMUCPMUPAXIUJZ-UHFFFAOYSA-N 368.025 2.145 0 1 FEAF biogenic CC[C@@]1(O)C[C@H]2[C@H]3C(C(=O)OC)=C4Nc5ccccc5[C@]45CCN([C@H]25)[C@H]31 473170902 SLUFFIKFMLYKDM-IMAHAYHESA-N 352.434 2.024 0 1 FEAF Cc1cccc(CN2C[C@H]3COC[C@@]3(CNC(=O)c3ccsc3)C2)n1 299841748 BJWQXPQMPDIXIC-QFBILLFUSA-N 357.479 2.330 0 1 FEAF CN(c1ccc(-c2csc(-c3cncnc3N)n2)cc1)S(C)(=O)=O 587923704 GMIWNYKIQYIJAT-UHFFFAOYSA-N 361.452 2.245 0 1 FEAF O=S1(=O)[C@@H](F)CCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 206912392 RVQVMQYSHGPVLW-FZKQIMNGSA-N 362.426 2.487 0 1 FEAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCC=C2C(=O)NC2CCCCC2)cc1 13493912 ITIDAOUPMWXDRR-QGZVFWFLSA-N 368.481 2.372 0 1 FEAF Cc1ccc(S(=O)(=O)n2[nH]c(=O)cc2NC(=O)c2cccs2)cc1 13687407 CJEYMMOYDREDAI-UHFFFAOYSA-N 363.420 2.036 0 3 FEAF C[C@H]1CN(C(=O)C2CCCCC2)[C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F 13804131 IFVNYUMVAGVLMH-BFQNTYOBSA-N 364.408 2.328 0 1 FEAF CCCCCNS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O 169712821 WUOYHDFVMIJVMB-UHFFFAOYSA-N 359.835 2.198 0 1 FEAF COc1ccc2c(c1)CCN(CCCCc1cn(CCF)nn1)C[C@H]2O 1857541050 ZRELGULTUGQTDD-LJQANCHMSA-N 362.449 2.171 0 1 FEAF COc1cccc(CN=c2nc3sc(-c4cnccn4)nc3c(N)[nH]2)c1 1857750781 JEQYLMOXQUQBSR-UHFFFAOYSA-N 365.422 2.168 0 1 FEAF CCOC(=O)Cc1nc2nc(N(CC)Cc3ccccc3)ccc2[nH]c1=O 766921 SVBCQBCBQGLFFN-UHFFFAOYSA-N 366.421 2.450 0 1 FEAF COC(=O)N[C@H](c1ccccc1)[C@]1(C(=O)OC)C(=O)Cc2ccccc21 8689925 OTDVNARADACAMG-YLJYHZDGSA-N 353.374 2.320 0 1 FEAF CC=C1CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2C[C@H]1C3=Nc2ccccc21 2356537179 JHLJAPBBYYUJNY-LOYVVIFBSA-N 352.434 2.431 0 1 FEAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@]23O)ccc1O 2356763872 WFZIOQOKIOIJHN-NWTFUFRBSA-N 372.373 2.320 0 1 FEAF COc1cccc(CN2CCn3c(nnc3C(=O)N3CCCCC3)C2)c1F 74376191 NAABNXQXIQCUSH-UHFFFAOYSA-N 373.432 2.068 0 3 FEAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 82198570 RHXDAXASSALVLF-SXCIOKLESA-N 368.518 2.262 0 1 FEAF O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)C2)[C@H]1c1ccc(F)cc1 587377542 RZQVYSDVZZUADN-WMZOPIPTSA-N 362.378 2.448 0 1 FEAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587174235 HQFWADGXJBVIRO-LBPRGKRZSA-N 373.413 2.073 0 1 FEAF NS(=O)(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587040973 LCAGKNBIQXPFKX-HZPDHXFCSA-N 374.491 2.157 0 1 FEAF COCCN1CCN([C@@H](CN2CCC(N(C)C)CC2)c2ccccc2)CC1 198330977 DCFGUTQDPLTKGB-QFIPXVFZSA-N 374.573 2.018 0 1 FEAF O=C(c1cccc(F)c1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 5434130 RLZIDPYQNOYLBM-QGZVFWFLSA-N 367.380 2.115 0 1 FEAF biogenic CCn1c(=O)n(CC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c(=O)c2ccccc21 4035719 JIOIPFWJCUUZEU-DZKIICNBSA-N 357.454 2.124 0 1 FEAF CN[C@@H]1CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C[C@@H]1C 6520957 HTPFAXVZLDPCJG-MGPLVRAMSA-N 373.428 2.367 0 1 FEAF Nc1ncnc2c1c(-c1ccccc1)nn2S(=O)(=O)c1ccccc1 103199683 RHFFFDRBSWRLQN-UHFFFAOYSA-N 351.391 2.313 0 1 FEAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccccc1C)C2 101505637 OCSJAVGFFONJLV-OSYLJGHBSA-N 359.470 2.466 0 1 FEAF Cc1cccc(NC(=O)C2CCN(c3ncnc4onc(C)c34)CC2)n1 20944545 LIALEDMRDIKLCH-UHFFFAOYSA-N 352.398 2.485 0 1 FEAF O=C(Nc1cc(Cl)ccc1N1CC[C@H](O)C1)c1cnn2cccnc12 113655733 ZNAFGEMVUIPGEA-LBPRGKRZSA-N 357.801 2.206 0 1 FEAF COc1ccc(-c2nc(C(N)=O)c(CN)o2)c2ccc(C(F)(F)F)nc12 28950194 PFPMXCLRSRHPJO-UHFFFAOYSA-N 366.299 2.475 0 1 FEAF C[C@@H]1O[C@@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@@H](O)C[C@@H]1O 61945002 XIOVVYUXTAJUCE-NSDMXEBBSA-N 364.438 2.285 0 1 FEAF O=C(N[C@@H]1CN(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(O)cc1 15672241 WXZXQQWKJQLAGQ-RTBURBONSA-N 358.413 2.287 0 1 FEAF biogenic CCOCCCNc1nc(N2CCN(c3ccccn3)CC2)ncc1C 82203337 FDBIJRBBEVOPIA-UHFFFAOYSA-N 356.474 2.345 0 1 FEAF CCOC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1COc2ccccc2O1 84669469 FLVIWEMSLONIOJ-APWZRJJASA-N 367.401 2.343 0 1 FEAF CCNC[C@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O 49034990 VGSAURUBNJSRDU-MRXNPFEDSA-N 361.467 2.250 0 1 FEAF O=C(c1cnc(N2CCOCC2)nc1-c1ccccc1F)N1CCCC1 82217093 NDEHXPHJALOSNQ-UHFFFAOYSA-N 356.401 2.355 0 1 FEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H]1CC[C@@H]1N 222473629 HHWBOLGHDXDWCN-DZGCQCFKSA-N 362.437 2.121 0 1 FEAF CC(C)[C@@]1(O)/C=C/[C@@](C)(O)C/C=C/[C@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 238764786 PZFBVODTZGEVTO-LYVONCLWSA-N 350.455 2.414 0 1 FEAF C/C(=C/CC/C(=C\CO)CO)CC/C=C(\C)C[C@H](O)[C@H](O)C(C)(C)O 238768924 FTWKAMFFFFYMJW-UEFLEMKASA-N 356.503 2.233 0 1 FEAF CN1Cc2c(ccc3c2OCO3)[C@H]2C(=O)c3cc4c(cc3C[C@@H]21)OCO4 238763809 GTRPODKMSBFDOI-KBXCAEBGSA-N 351.358 2.481 0 1 FEAF COc1ccc([C@H]2OC[C@]3(O)[C@@H](c4ccc(OC)c(O)c4)OC[C@H]23)cc1O 95598400 JNNJGAAXLBQGKG-WNISUXOKSA-N 374.389 2.305 0 1 FEAF COC(=O)c1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cn1 587035325 RVXKYIJOVNHDLJ-UHFFFAOYSA-N 356.407 2.225 0 1 FEAF CC1=C(c2ccc3nc(-c4cccc(N)c4C(=O)O)[nH]c3c2)NNC(=O)C1 587250826 SHTDBWOWMGLXOG-UHFFFAOYSA-N 363.377 2.266 0 1 FEAF COc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c(Cl)c1 587368353 HNNPNDZIZBCMIH-UHFFFAOYSA-N 361.741 2.392 0 1 FEAF Cc1cccc(NC(=O)Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1C 587238491 AITRMRMJBKKUIW-UHFFFAOYSA-N 358.423 2.008 0 1 FEAF O=C(O)Cn1c(=O)c(/C=C/c2ccc(O)cc2)nc2cc(Cl)cnc21 1772649473 PDKUBIYWHDLCEN-ZZXKWVIFSA-N 357.753 2.406 0 1 FEAF CCC(CC)C(=O)N1CCN2[C@@H](CN(Cc3ccccc3)C[C@@]2(C)CO)C1 2356387145 JMSQTGKBGXBCJH-UNMCSNQZSA-N 373.541 2.202 0 1 FEAF Cn1cc(NC(=O)CCc2nc(-c3ccc(O)cc3)no2)c(C(=O)O)c1 1911574962 QLDNWJSPEASFTL-UHFFFAOYSA-N 356.338 2.050 0 1 FEAF Cc1c2c(cc3c1[C@H](c1ccoc1)OC3=O)[C@@H]1COC(=O)C1=C[C@@H](O)C2 2356477181 XYDSFEQOFYTNPI-PBQZTSCYSA-N 352.342 2.332 0 1 FEAF COc1ccnc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)c1 223525448 SJZVXVWCJJLAOM-UHFFFAOYSA-N 362.474 2.222 0 1 FEAF CN1CCC[C@@H]1COC(=O)CNC(=O)c1csc(Nc2ccccc2)n1 82085003 UEQRTYXQBYBIRI-CQSZACIVSA-N 374.466 2.254 0 1 FEAF O=C(Nc1nc(Cc2nc3c(O)nc(O)nc3[nH]2)cs1)c1cccs1 587019004 DRTWCILNEQVOTR-UHFFFAOYSA-N 374.407 2.125 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)C=C2C(N)=O)N1 587775124 QUWGWLONKFGVPJ-ABKXIKBNSA-N 366.234 2.146 0 1 FEAF COC(=O)c1cccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 586952203 DQMYQKLVMSCYKZ-UHFFFAOYSA-N 365.455 2.348 0 1 FEAF CCOC(=O)c1nocc1[C@]1(C2CC2)N[C@H](C(=O)O)Cc2cccc(F)c21 962923589 RGOUOBPCSYMGSF-LIRRHRJNSA-N 374.368 2.243 0 1 FEAF COC(=O)[C@@H]1C(=O)C[C@]2(C[C@H]1C)NCCc1c(OC)ccc(Cl)c12 963268911 BBBGOQYFKLOUTD-LOTHZSBOSA-N 351.830 2.478 0 1 FEAF Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccnc2)c(C)c1 201448828 RYIMZAHVZDMMKM-QGZVFWFLSA-N 359.451 2.490 0 3 FEAF C=c1[nH]n(-c2ccccc2)c(=O)/c1=C/c1ccc(OC)c(Br)c1 1793672 CLLZKTCOPAGRBV-XNTDXEJSSA-N 371.234 2.176 0 1 FEAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H](OC(=O)C[C@@H](C)CO)C1 2356455432 TZWLJFAUVXXQDV-PGYIJGINSA-N 366.454 2.143 0 1 FEAF O=S(=O)(Cc1ccccc1)NC[C@@H]1COCc2nc3ccccc3n21 2356458132 GQXIHBLTBBGAJD-OAHLLOKOSA-N 357.435 2.227 0 1 FEAF Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1[C@@H](O)c1ccc(Cl)cc1 25963902 YOMWDCALSDWFSV-KRWDZBQOSA-N 357.797 2.273 0 1 FEAF O=C(O)c1nn2c(O)nc3cc(Cl)c(-n4cccc4)cc3c2c1C(=O)O 29060315 RSLNWLVAOYUQDX-UHFFFAOYSA-N 372.724 2.429 0 1 FEAF C[C@@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)C1CCCCC1 61903665 ZIKMMWXVVSUFDG-INIZCTEOSA-N 370.496 2.124 0 3 FEAF CC(C)(C)[C@@H]1NC(=O)[C@H](CN(O)C=O)CCCCCCCCCNC1=O 27200260 GXQYQFOZGUYSTC-JKSUJKDBSA-N 369.506 2.232 0 1 FEAF O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)c1cccc2ccccc12 61928119 CBFUSDKSCBPILH-SOUVJXGZSA-N 371.418 2.127 0 3 FEAF COc1ccc(-n2ncc3c(N4CCNCC4)nc(C4CC4)nc32)cc1 35988537 LEKRUZXEWVZFPB-UHFFFAOYSA-N 350.426 2.111 0 1 FEAF COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2cc(O)c(O)c(OC)c2)ccc1O 14646679 FMVYKFXTOXIOFV-KGLIPLIRSA-N 374.389 2.395 0 1 FEAF biogenic NC(=O)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F 40847682 QDAOJABJYUDRSK-JTQLQIEISA-N 352.110 2.189 0 1 FEAF CCCCNC(=O)CN(C)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085703 ZAMQFEACZJOFRK-UHFFFAOYSA-N 359.382 2.059 0 1 FEAF COC(=O)[C@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82083850 MGMXTGBSSAJAAY-VIFPVBQESA-N 350.396 2.119 0 1 FEAF CC(C)(Cc1ccccc1)NC[C@@H](O)c1ccc(O)c2c1OCC(=O)N2 45258935 BQXRBRILGVDRAQ-MRXNPFEDSA-N 356.422 2.367 0 1 FEAF CC(=O)NCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccccc2)n1 82133482 SSJWLAZWCITTEI-UHFFFAOYSA-N 367.453 2.318 0 1 FEAF COc1cccc(-c2c(C)nn(-c3nc(N)nc(-c4ccccn4)n3)c2N)c1 230565144 XBLDBILFKIULJY-UHFFFAOYSA-N 374.408 2.268 0 1 FEAF Cn1cnc(-c2cnn3c2[nH][n+](=O)c2ccc(OCc4ccccc4)cc23)n1 377845409 LWTBYSSHQRHLFU-UHFFFAOYSA-N 374.384 2.105 0 1 FEAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ncc[nH]c-2n1 586937940 SHBJPMYLWKMSKL-GFCCVEGCSA-N 363.468 2.077 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 586886299 OXDMFFYLVPLMAK-FRRDWIJNSA-N 359.451 2.452 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(Cn1nc(Cl)nc1Cl)NCC2 962924543 KNWIOBKRJKOUST-MRXNPFEDSA-N 368.268 2.348 0 1 FEAF C[C@]1(O)C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@H]3CO 2356468660 LMRVOLJKVFSTPO-ABUVZVKXSA-N 352.471 2.034 0 1 FEAF O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4053683 GUTAYNSVZHYNJE-NUJGCVRESA-N 367.405 2.156 0 1 FEAF CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1O 100201654 SRISWFJLVRCABV-XCPUQBFJSA-N 368.477 2.125 0 1 FEAF in-vitro NC(=O)c1cccc2c(N[C@H](Cn3ccnn3)c3ccccc3)ncnc12 114346725 NHQSHEYVOTVFJW-MRXNPFEDSA-N 359.393 2.174 0 1 FEAF COC(=O)[C@@](CC1=CC[C@H]2C[C@@H]1C2(C)C)(NS(C)(=O)=O)C(F)(F)F 4134360 MLJVFKXWSFYGOJ-COPLHBTASA-N 369.405 2.392 0 1 FEAF CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2sccc2C)C1 61907819 IUIOEYMSBBMGQQ-INIZCTEOSA-N 372.512 2.155 0 3 FEAF COc1ccc(CN2C(=O)CNC(=O)[C@H]2CSCc2ccccc2)cc1 71294863 ZESDYRNDLXWXAO-GOSISDBHSA-N 370.474 2.456 0 1 FEAF CC(=O)N1CCN(c2ccc(N3CCN(C(C)=O)[C@@H](C)C3)c(C)c2)[C@@H](C)C1 199271625 MENJIUZSUPCMSV-IRXDYDNUSA-N 372.513 2.109 0 3 FEAF CC(C)[C@@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1 95597977 FQFGDUPFMGYOMB-CYBMUJFWSA-N 356.434 2.370 0 1 FEAF C[C@H]1N=CC([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)=N1 146159817 SGHCLOBTFNZTBO-BAVSNKJRSA-N 364.421 2.498 0 1 FEAF CNS(=O)(=O)c1cc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)n(C)c1 586946717 DJQXUEQXEYLTLV-UHFFFAOYSA-N 360.773 2.408 0 1 FEAF COc1ccc(CC2=C([C@@H](O)c3ccc4c(c3)OCO4)COC2=O)cc1O 13385485 FTIOESRDDTYYEC-IBGZPJMESA-N 370.357 2.259 0 1 FEAF biogenic COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1OC 169294078 YJWKFEOPTCAJCT-MPQCEYCISA-N 353.418 2.299 0 1 FEAF O=C(CNCc1ccccc1F)Nc1ccc2nc3n(c(=O)c2c1)CCC3 1857646979 ABTANIOYSSLHPL-UHFFFAOYSA-N 366.396 2.210 0 1 FEAF CC(=O)N1CCCN(C(=O)c2c(-c3cccs3)noc2[C@@H](C)O)CC1 2356303611 ZTTAEVNNRXGRJJ-LLVKDONJSA-N 363.439 2.151 0 1 FEAF NC(=O)C1CCN(c2nc3ccccc3c(=O)n2Cc2ccccc2)CC1 4176301 APMSQYNXXFNLJY-UHFFFAOYSA-N 362.433 2.147 0 1 FEAF CCN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 103173655 LFDGHFFVVMPLPK-UHFFFAOYSA-N 357.479 2.095 0 1 FEAF COc1cc(-c2nn(C(C)C)c3ncnc(N)c23)ccc1N[C@H](C)CO 8581991 KAANTKMOHHINMM-LLVKDONJSA-N 356.430 2.458 0 1 FEAF CCc1[nH]c2nc(Oc3cncnc3)nc(N3C[C@@H]4C(N)[C@H]4C3)c2c1Cl 103087065 YZRGALHCPBRTES-UWVGGRQHSA-N 371.832 2.149 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)[C@@H](CC[C@@H](O)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@]12O3 100774354 FYNKIYMILKEXOG-ZOPVUONISA-N 364.438 2.340 0 1 FEAF endogenous,in-man CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccc(F)cc4)c3c2)CC1 64447579 FCDJRMZCFMXAPI-UHFFFAOYSA-N 374.441 2.287 0 1 FEAF COc1cc2c(cc1O)[C@@H]1O[C@@H](O)c3c(ccc4c3OCO4)[C@@H]1NCC2 2356727426 NFGXPXULMFBCLB-JENIJYKNSA-N 357.362 2.079 0 1 FEAF COc1cc(O)c2c(c1)[C@]13CCN4CC[C@H](C[C@@H]1N2C(C)=O)C1=CCO[C@]143 84651879 XORSOONLULVOCT-WTXAKBKRSA-N 368.433 2.156 0 1 FEAF O=C(O)c1cn(Cc2ccc(-n3ccnc3)cc2)c2c(c1=O)[C@@H](O)CCC2 49071257 MEJNGKCNDXJOBP-KRWDZBQOSA-N 365.389 2.150 0 1 FEAF CCc1nc(C(=O)N2CCC[C@@H](C(=O)OC[C@@H]3CCCN3C)C2)cs1 82069663 VVQAEGUXJHOBFQ-KGLIPLIRSA-N 365.499 2.195 0 1 FEAF CC(=O)NCCn1c(C2CC2)nc2c(NCc3ccccc3)ncnc21 82178702 JNYJJHWYLRRPIU-UHFFFAOYSA-N 350.426 2.452 0 1 FEAF C[C@@H]1O[C@@H](O[C@@]2(C)CC[C@@H]3[C@H]([C@H]4[C@@H]2CC[C@H]4C)C3(C)C)[C@@H](O)[C@@H](O)[C@H]1O 255276243 WKAWIUQHIDXDJS-COFHCHBMSA-N 368.514 2.318 0 1 FEAF CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(Cl)c2)nc1O 299816000 NMUUUYYPGPQLAZ-UHFFFAOYSA-N 370.840 2.219 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ncnc2O)N1 587779108 QFRYVAYJIMGIGE-SREIQFSDSA-N 354.179 2.413 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)CCC2=O)N1 587761848 QMDHRYHTXPFBDB-ABKXIKBNSA-N 369.234 2.487 0 1 FEAF COC(=O)[C@@H]1COC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587833988 JLNVWFZUWQQCOP-OWCSCZDJSA-N 358.207 2.137 0 1 FEAF COc1ccc2c(c1OC)[C@](C)(c1cc(C(N)=O)n(C)c1)N(C)[C@H](C)C2 962575094 VNWQCIGCSZGIDW-ODXCJYRJSA-N 357.454 2.281 0 1 FEAF COc1ccc(C[C@@]2(C(=O)O)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963030349 NLKCDKZQRMVUHZ-SPLOXXLWSA-N 366.417 2.271 0 1 FEAF CC(=O)c1cccc(OCc2cc(C(=O)NCC3CCOCC3)n[nH]2)c1 12317341 KZCUOABCTFWXFB-UHFFFAOYSA-N 357.410 2.348 0 1 FEAF COC1=CC=CC[C@H]1[C@H](CN(C)C)Nc1ncnc2c(C(N)=O)cccc12 167069913 OKFZWSPIHHWNPJ-BBRMVZONSA-N 367.453 2.177 0 1 FEAF COc1cc2c(c(OC)c1OC)[C@@H](c1cc(C(N)=O)ccc1F)CC(=O)N2 1857761391 NTQSHFXDRAVQHP-LLVKDONJSA-N 374.368 2.425 0 1 FEAF COc1ccc(C(=O)COC(=O)CCn2nnc(-c3cccs3)n2)cc1 4160823 KBHBQOCRVPLVRM-UHFFFAOYSA-N 372.406 2.226 0 3 FEAF COC(=O)C1=C(OC)C(=O)O[C@H]1C1=C(Cl)c2cc(C)ccc2OC1 1911571889 CWPQBGKMYVIZLG-AWEZNQCLSA-N 350.754 2.336 0 1 FEAF CC1=CN2C(=O)[C@@](NC(=O)COc3ccccc3)(C(F)(F)F)N=C2S1 6272892 FZXWWEAXGURBGK-AWEZNQCLSA-N 371.340 2.247 0 1 FEAF O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(/C=C/c2ccccc2)CC1 103230307 SZWAAHLVYHDYOC-ZHACJKMWSA-N 360.417 2.352 0 1 FEAF O=C1O[C@@H](CNC=S)CN1c1cc(F)c2c(c1)OC[C@@H]1CCCN21 27308872 JRGHCIODQIKGGI-JQWIXIFHSA-N 351.403 2.059 0 1 FEAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)C(=O)CC[C@](C)([C@H]23)[C@]12CC[C@@]1(COC(=O)C1)O2 2356544237 IKNNBDGBGVLCJD-JWDCOJQLSA-N 362.422 2.178 0 1 FEAF CC[C@@H](C)[C@@H](C(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1)n1cnnn1 2356765607 DEFVEYRTGZLBEO-XIKOKIGWSA-N 368.441 2.335 0 1 FEAF COC(=O)CC[C@@H]1CC[C@@H](C(=O)OC)c2ccc(S(=O)(=O)O)cc21 2356875788 ZTNLIVFMOYNFBS-GXFFZTMASA-N 356.396 2.021 0 1 FEAF COc1ccc(C(=O)C[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2)cc1 96915238 GIQCYSPTOAFEDJ-QZTJIDSGSA-N 353.418 2.473 0 1 FEAF CCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1c(-c3cccnc3)ccc(=O)n1C2 25408280 RGSLXXUQPIYREA-ZBFHGGJFSA-N 373.478 2.069 0 1 FEAF biogenic CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 95875162 SIXKQJSUWIYCRJ-BRWVUGGUSA-N 367.287 2.220 0 1 FEAF C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N(C)[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC 238767984 DSIOBDCLSMIECF-MPEVPADFSA-N 352.434 2.270 0 1 FEAF CS(=O)(=O)c1ccc(CNC(=O)Nc2ccc3nnsc3c2)cc1 95580927 YEZPZAFPCATEAS-UHFFFAOYSA-N 362.436 2.417 0 1 FEAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C2CCN(CC2)[C@H]1C(=O)OC 587487950 ZIDIQNMARXFYSQ-ICSRJNTNSA-N 359.422 2.316 0 1 FEAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587784439 HBOIWDWSTPJSHC-GJZGRUSLSA-N 360.377 2.482 0 1 FEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(C)cnc(Cl)c2[nH]1 586930985 YKWLPQWKIBMEOF-UHFFFAOYSA-N 366.830 2.455 0 1 FEAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 587042928 NUURXRZWQXVFEM-CYBMUJFWSA-N 357.443 2.159 0 1 FEAF Cc1cn2cc(NC(=O)c3ccc(N4CCN[C@H](C)C4)cc3F)ncc2n1 1772596717 IEEIXDPCJFPOBG-GFCCVEGCSA-N 368.416 2.227 0 1 FEAF CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1 14974191 LBJLZUGWQIZPOF-UHFFFAOYSA-N 353.382 2.236 0 1 FEAF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@H]2C(=O)N(C)C(=O)[C@@H]21 1857558491 KOZKGCYTRIIXBI-CPUCHLNUSA-N 364.338 2.421 0 1 FEAF O=C(O)c1ccccc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1857613310 IJSQSLJILBHCAL-UHFFFAOYSA-N 358.369 2.252 0 1 FEAF CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(C(N)=O)c2)n1 1857775012 FSQWAYOLAJDBQN-UHFFFAOYSA-N 350.382 2.272 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@@H]1C 2356427389 YGLWOPSYLJYZQF-KRVYBHFCSA-N 362.422 2.163 0 1 FEAF O=C1CSc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2N1 6892710 YWVWJADPXLRIEK-UHFFFAOYSA-N 352.412 2.348 0 3 FEAF CCCn1c(CCC(=O)N2CCC3(CC2)OCCO3)nc2cccnc21 9612183 MLYSARLNEPSVCS-UHFFFAOYSA-N 358.442 2.139 0 1 FEAF CC(C)COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 101927863 ROEFHITVKXHEOH-TWFHAPMSSA-N 355.434 2.210 0 1 FEAF Cn1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)n1 101471624 GTRGUNZMBJAFED-FZMZJTMJSA-N 356.451 2.094 0 1 FEAF CCOC(=O)CCC(=O)N1CCS[C@@H]1COc1ccccc1OC 27564092 VZVZUNCYCIVOQN-MRXNPFEDSA-N 353.440 2.319 0 1 FEAF C[C@@H]1CN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CCN1 62224992 IGSWQBFZXGXSDN-DNVCBOLYSA-N 366.444 2.244 0 1 FEAF COC(=O)CCCC[C@H](CC(=O)OC)c1ccc(S(=O)(=O)O)cc1 2356810719 BAVYDCGNSNHAIZ-CYBMUJFWSA-N 358.412 2.313 0 1 FEAF COc1cc(CNCCCNC(=O)C2=CC(C)(C)NC2(C)C)ccc1O 40641300 LNVWHWVBFIZISY-UHFFFAOYSA-N 361.486 2.084 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)[C@H]2CNC(=O)CC2CC2)cc1 95895630 QHKKTSVDENPXAS-NDJYZTHMSA-N 356.466 2.311 0 1 FEAF O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 95894598 FZJHIVUYMAQMIZ-FMKPAKJESA-N 368.355 2.051 0 1 FEAF CC1(C)Oc2ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2[C@H](O)[C@@H]1O 40392220 SJILHXXGADEART-SNRMKQJTSA-N 372.373 2.370 0 1 FEAF biogenic Cn1nccc1CS(=O)(=O)Cc1nc2c(Cl)c(Cl)cnc2[nH]1 586922208 RKIDDPASXQEHRA-UHFFFAOYSA-N 360.226 2.113 0 1 FEAF CC1=C(c2ccc3nc(-c4cc(N)c(N)cc4F)[nH]c3c2)NNC(=O)C1 587137178 RSNVHIWWNHWCNF-UHFFFAOYSA-N 352.373 2.289 0 1 FEAF COC(=O)[C@@H]1CC[C@]2(CC1(C)C)N[C@H](C(=O)O)Cc1cc(C)c(O)cc12 963493390 VWFMUBVDEBXQTN-ZQGRQUNCSA-N 361.438 2.494 0 1 FEAF CN(C)C(=O)c1ccc(Oc2ccnc3sc(C(N)=O)c(N)c23)cc1 1857567338 YARPEXJLBRXGTQ-UHFFFAOYSA-N 356.407 2.472 0 1 FEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CC(COc2ccccc2F)C1 1857648668 IPAKBZFYOOUBHV-UHFFFAOYSA-N 365.382 2.254 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)O[C@@]3(O)C[C@@H]12 2356400731 IJGXECQJMLLVLT-CRKLFMNUSA-N 364.438 2.243 0 1 FEAF Cc1ccc2c(n1)N(C)[C@@H](CO)CCN(Cc1ccc3c(c1)OCO3)C2 2356290010 GMFITVQDAPQHPH-QGZVFWFLSA-N 355.438 2.322 0 1 FEAF C=C(Cl)C(=O)N[C@@H]1CC[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5 100794350 VGEFGSWMGRTTKI-WCJXETNOSA-N 374.868 2.299 0 1 FEAF O=C(N[C@H]1CCCN(Cc2ccc3c(c2)OCO3)C1)c1cc(O)cc(O)c1 28461543 XKQVTWGFVGCWSC-HNNXBMFYSA-N 370.405 2.221 0 1 FEAF NC(=O)c1cc(OCCNC[C@H](O)CCCCc2ccccc2)ccc1O 27986276 XACWBDUUAGRSGA-QGZVFWFLSA-N 372.465 2.233 0 1 FEAF COCCOc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1 114346326 GFZHGSPTJMHXMK-UHFFFAOYSA-N 352.394 2.366 0 1 FEAF CC[C@H]1C(=O)O[C@H]1C1=C(Br)C(=CBr)OC1=O 2356307047 WLOLFHPXUWXMQJ-SPGJFGJESA-N 351.978 2.380 0 1 FEAF C[C@]1(O)OC[C@H](C(=O)O)[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]21 2356473306 AQHLWAARHKACOY-BHZNCXQASA-N 356.422 2.143 0 1 FEAF CC(=O)NCCCCCCc1cn(CCCCCc2c[nH]c(N)n2)nn1 66074081 QGBSHUIUMSTJBE-UHFFFAOYSA-N 361.494 2.235 0 1 FEAF CCOC(=O)c1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 71280730 WPNUXZGJUMKSTO-UHFFFAOYSA-N 365.846 2.376 0 1 FEAF CCOC(=O)c1cnn2c1n[n+]([O-])c1ccc(OCc3ccccc3)cc12 43069256 OYFUEGOCOHFCLK-UHFFFAOYSA-N 364.361 2.272 0 1 FEAF N[C@@H](CCC(=O)Nc1ccc(OCC(=O)c2ccccc2)cc1)C(=O)O 40918029 JXSYVANIFASLIX-INIZCTEOSA-N 356.378 2.079 0 1 FEAF in-vivo Cc1cc(N)nc(C[C@@H]2CNC[C@H]2NCCNCc2cccc(Cl)c2)c1 40845870 VWCMAGONQJHIJZ-VQIMIIECSA-N 373.932 2.136 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1[C@H](O)C[C@]13COC(=O)C1=CC=C[C@@H]32 85692920 HLFAIHSSDNMUCZ-ILRNBGBRSA-N 356.374 2.310 0 1 FEAF CN(C)CCOC(=O)CN(C)C(=O)c1csc(Nc2ccccc2)n1 82085852 UXRDIMSROYOKIX-UHFFFAOYSA-N 362.455 2.064 0 1 FEAF CS(=O)(=O)Nc1ccc(CNC(=O)CCc2ccccc2)cc1F 40878666 CKKPRLLMHDAIGS-UHFFFAOYSA-N 350.415 2.446 0 1 FEAF CCN1[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CCS1(=O)=O 43205874 SGWFKHIYRPWFOP-LBPRGKRZSA-N 351.255 2.034 0 1 FEAF N[C@H]1CCN(Cc2nc(O)c3oc4ccc(Br)cc4c3n2)C1 84669518 HNIDDGUBRPIXPG-VIFPVBQESA-N 363.215 2.377 0 1 FEAF O=C1c2cc(O[C@@H]3CCNC3)ccc2-c2ccc(O[C@@H]3CCNC3)cc21 82152048 ISOSQJHRAFCPLJ-HZPDHXFCSA-N 350.418 2.379 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1CC=C2C[C@@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C 238744152 VNQVNYIPOUGYKN-IDCORPEUSA-N 362.422 2.163 0 1 FEAF CCCn1c(=O)c2nc([C@H]3CC[C@H](C(=O)O)CC3)[nH]c2n(CCC)c1=O 253686758 ZVVKJJVTWDPGLA-HAQNSBGRSA-N 362.430 2.065 0 1 FEAF C[C@H]1O[C@]1(C)C(=O)C[C@@H]1[C@@]2(C)[C@@H](O)CCC(C)(C)[C@]2(O)CC[C@@]1(C)O 473088655 IYXYEOGFUBDIEI-USEDJYDSSA-N 354.487 2.202 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c12 587154879 UKXIPLFUEGDCRM-SGTLLEGYSA-N 374.441 2.294 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c12 587154877 UKXIPLFUEGDCRM-KPZWWZAWSA-N 374.441 2.294 0 1 FEAF O=C(O)C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350849 IHJWCRUJSWBXJJ-QAPCUYQASA-N 360.293 2.188 0 1 FEAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(O)nc(N)nc2[nH]1 587201535 RBYYZKJYSNHAQC-UHFFFAOYSA-N 350.423 2.222 0 1 FEAF COC(=O)[C@@H]1C[C@@]2(CCN1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587793888 OEEHWZQEGCBLDD-RVIYUIFMSA-N 371.250 2.243 0 1 FEAF Nc1ncc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2n1 587001297 XLRMPOGVABWGHL-UHFFFAOYSA-N 374.154 2.177 0 1 FEAF O=C(/C=C/OC(=O)c1ccc(C(=O)O)cc1)Oc1ccc(C(=O)O)cc1 13383358 KGKHZXYQVLGUOR-MDZDMXLPSA-N 356.286 2.359 0 1 FEAF CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1 14974194 COMLWEWLEVAFQD-UHFFFAOYSA-N 369.381 2.168 0 1 FEAF COc1cc([C@@H]2CC(c3c(C)n(O)c4ccccc4[n+]3=O)=NN2)ccc1O 1857773857 PBSVLHDCAVQTQZ-ZDUSSCGKSA-O 367.385 2.254 0 1 FEAF COc1cccc(NC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)c1 3042028 BPUZUDGUTVBVQE-UHFFFAOYSA-N 368.389 2.270 0 3 FEAF Cc1c(N2C[C@@H](N)C[C@H]2C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 26830350 JJKOQKOYPJVYBX-SKDRFNHKSA-N 359.401 2.249 0 1 FEAF CC=C1CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 2356635269 UZSZSSQLCSRDPY-ORZNMBHWSA-N 356.466 2.386 0 1 FEAF CNC(=O)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)O)C(C)(C)C 219866810 RPEMCHYEPZNXLW-WBVHZDCISA-N 362.470 2.377 0 1 FEAF CC(C)CCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 227270782 SDUZQLOXNPPWHF-NNFUDEMPSA-N 360.479 2.192 0 1 FEAF CC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195069633 OKPZZQOOGVTTIF-VTEXIKTKSA-N 367.445 2.226 0 1 FEAF O=C(O)CNC(=O)c1nccc2c1nc(C(F)(F)F)n2-c1ccccc1 40949365 FKBSPCDHVFBPBL-UHFFFAOYSA-N 364.283 2.254 0 1 FEAF COc1cc([C@@H]2C[C@@H](O)C[C@H]([C@@H](O)Cc3ccc(O)cc3)O2)ccc1O 238788123 UKFYIKOSRJMAAB-HGKSCXNLSA-N 360.406 2.291 0 1 FEAF O=C(COc1ccccc1)N1C[C@H]2COC[C@@]2(COc2cccnc2)C1 299842766 XPFVGBALAYJERZ-OXJNMPFZSA-N 354.406 2.014 0 1 FEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(S)nc(S)nc2[nH]1 587226397 ZBPNBAMBTAHOAQ-MRVPVSSYSA-N 361.452 2.014 0 1 FEAF CC1=C(c2ccc3[nH]c(-c4ccc(NC(N)=O)cc4)nc3c2)NNC(=O)C1 587243258 HVSUJIRMPSGEHX-UHFFFAOYSA-N 362.393 2.476 0 1 FEAF C[C@@]1(c2c[nH]c(=O)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585384 CZZOGOFMWMFLDH-APWZRJJASA-N 350.330 2.353 0 1 FEAF Oc1nc(O)c(I)c(-c2nc3cccc(F)c3[nH]2)n1 587181779 CSVBKLWOINVLSM-UHFFFAOYSA-N 372.097 2.175 0 1 FEAF COC(=O)C[C@@]1(c2cnn(C)c2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962634209 QHGRTFAUYOGOOJ-RNODOKPDSA-N 373.453 2.120 0 1 FEAF CCn1cncc1[C@H]1N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962630832 KSXVWSKOLWKWCD-QMTHXVAHSA-N 355.316 2.490 0 1 FEAF N[C@@H]1C[C@H]2CCCc3c(c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c34)N2C1 113156702 WSSQECFOHWIOCC-ZYHUDNBSSA-N 371.412 2.416 0 1 FEAF Cc1nc(N2CCN(S(C)(=O)=O)CC2)c2[nH]c(-c3ccccc3)cc2n1 13834997 NXCBAAXOCYOGNE-UHFFFAOYSA-N 371.466 2.015 0 1 FEAF CCN(C)c1ccc(S(=O)(=O)NC)cc1Nc1ncnc2[nH]ccc12 204890686 FLQFBHIVUPHOAI-UHFFFAOYSA-N 360.443 2.066 0 1 FEAF CN(C)[C@H]1CCN(N(Cc2ccncn2)[C@@H]2CCCc3cccnc32)C1 1857763532 JWKVNXFCPRWNRC-RBUKOAKNSA-N 352.486 2.302 0 1 FEAF O=C(CN1CCN(C2CCCCC2)C(=O)C1=O)Nc1ccc(Cl)cc1 8619488 QHXDNVDGQWHHDX-UHFFFAOYSA-N 363.845 2.282 0 1 FEAF O=c1[nH]c2c(C(F)(F)F)cccc2c(=O)n1CCCCn1ccnc1 26382825 NUIOGTDXUVEXQG-UHFFFAOYSA-N 352.316 2.386 0 1 FEAF N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 101764161 RWFIYXVDRNEYKO-YHPBZONMSA-N 372.400 2.027 0 1 FEAF O=S(=O)(c1ccccc1)n1cc(CN2CCNCC2)c2ccccc21 114899650 XHSVVNGVIDEDRT-UHFFFAOYSA-N 355.463 2.284 0 1 FEAF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)C1=CC=C[CH]N1 2356829860 DHJRXMLYVQTJNF-OAHLLOKOSA-N 358.443 2.054 0 1 FEAF C[C@@]12CC[C@@H]3[C@@](CC1=O)(C2)[C@@H](O)C[C@H]1[C@@]3(C)[C@@H](O)CC[C@@]1(C)C(=O)O 38422528 IDVRMGJWWRQUDK-PZEXLGDASA-N 350.455 2.385 0 1 FEAF N=C(N)c1ccc([C@H](NC(=O)OCc2ccccc2)P(=O)(O)O)cc1 31260847 FSNDLCSOLUMYRH-OAHLLOKOSA-N 363.310 2.073 0 1 FEAF in-vivo CC1(C)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2[C@@H](O)[C@@H]1O 13373995 UTMWJRQEAWMMPF-MJGOQNOKSA-N 370.357 2.437 0 1 FEAF biogenic CCC(=O)N(CC1CCC1)C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O 95895129 QIJXTCMQPGAPCQ-SVFBPWRDSA-N 358.482 2.401 0 1 FEAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1 95556269 HORNJPKKXLGEPK-INIZCTEOSA-N 365.389 2.420 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c(=O)cn2)N1 587773708 RKJYTCNAJGAZCA-ANRSDYALSA-N 352.207 2.469 0 1 FEAF O=S(=O)(c1ccc(Cl)c(-c2nc3ccnc(O)c3[nH]2)c1)N1CCC1 586955643 QSBUBGDERJJFDC-UHFFFAOYSA-N 364.814 2.378 0 1 FEAF Cc1nnsc1C(=O)N1CCCC[C@H]1c1cc2[nH]c(C)c(C)c(=O)n2n1 1857582956 ASCGOVHRAWOTSX-ZDUSSCGKSA-N 372.454 2.167 0 1 FEAF C[C@H]1Cc2ccccc2N1C(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 3660570 FCWGUNZWNNQXGH-DRLYGMLMSA-N 350.418 2.161 0 1 FEAF CCOC(=O)c1c[nH]c2ccccc2c1=Nc1cccc(S(N)(=O)=O)c1 1911583675 GHKDGUXYSMSOAZ-UHFFFAOYSA-N 371.418 2.224 0 1 FEAF O=S(=O)(c1ccccc1)c1ccc(-c2nnc3sc(O)nn23)cc1 66251691 SIUZQOSRDCYVNN-UHFFFAOYSA-N 358.404 2.391 0 1 FEAF C[C@]12CCC(=C3C[C@H](c4ccoc4)OC3=O)C[C@@]1(O)CC[C@@H](O)[C@]2(C)O 2356432276 VZNUIGFGDXIJDN-ZJXIFLPPSA-N 362.422 2.391 0 1 FEAF CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@@H]1CCN(c2ccccc2)C1=O 46106108 LQYYGTCNUKRLIC-INIZCTEOSA-N 352.438 2.300 0 1 FEAF COc1cc(Nc2nc(SC)n3ccnc3c2C(N)=O)cc(OC)c1 40935032 ACJWLOIIUMFWKS-UHFFFAOYSA-N 359.411 2.311 0 1 FEAF COc1ccc(N2C(=O)[C@@H]3NCC[C@@H]3N(Cc3ccccc3)C2=O)cc1 25229531 GUXCBCGANTVRFP-ZWKOTPCHSA-N 351.406 2.395 0 1 FEAF biogenic COCCNC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1c1nc(C)c(C)s1 95895657 NSJFKVMJXCPAFV-SQNIBIBYSA-N 361.511 2.329 0 1 FEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ncnc1O 587588264 SBFMTAJIGJPQBM-WBMJQRKESA-N 352.302 2.296 0 1 FEAF CN1CCN(c2ccc3[nH]c(-c4ccc(NC(N)=O)cc4)nc3c2)CC1 587243033 BLAKAERUZGJDMR-UHFFFAOYSA-N 350.426 2.472 0 1 FEAF COC(=O)[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617919 REQCACWMVJOMCK-RISOHXOYSA-N 370.357 2.302 0 1 FEAF CCS(=O)(=O)c1cccc(Cc2nc3c(S)nc(S)nc3[nH]2)c1 586921448 IKXBCQZSHQHGQI-UHFFFAOYSA-N 366.493 2.315 0 1 FEAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc3c(cn2)OCO3)N1 963001618 ZMKYZNAPLMKKQQ-ZUZCIYMTSA-N 368.723 2.430 0 1 FEAF NC(=O)N1CCCc2cc(-c3cncc(CN4CCCC4=O)c3)cnc21 1772606091 PJIVBOMSKZKOGZ-UHFFFAOYSA-N 351.410 2.097 0 1 FEAF O=C1[C@@H]2CCCCN2C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 13760041 DLTBCSWNYGSURL-INIZCTEOSA-N 362.861 2.236 0 1 FEAF CONC(=O)C[C@@H](CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1 13776617 WUQUCNJVVCEYPG-MRXNPFEDSA-N 367.453 2.039 0 1 FEAF COc1cc(C[C@H]2C(=O)O[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 14646981 BTXZSJTULWTSJG-BIENJYKASA-N 374.389 2.180 0 1 FEAF COc1ccccc1[C@@H]1[C@@H](C(=O)c2ccccc2)C(=O)C(=O)N1C[C@@H](C)O 169687302 XGERDGWLTOVYBC-JEBQAFNWSA-N 367.401 2.028 0 1 FEAF Cn1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1 1857612280 HTMTVBVRFPJMJL-UHFFFAOYSA-N 351.366 2.126 0 1 FEAF CCNC(=O)c1cccc(NC(=O)c2nn(CC)c(=O)c3ccccc23)c1 8129334 JETYVMYEOQMQMH-UHFFFAOYSA-N 364.405 2.418 0 1 FEAF COc1ccc(CCNC(=O)c2cc(=O)c3c(O)cccc3o2)cc1OC 28637280 KNHCQNXABXWVJD-UHFFFAOYSA-N 369.373 2.488 0 1 FEAF O=P(O)(O)CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nc[nH]n1 26004863 YDLZGVFAALYBOJ-INIZCTEOSA-N 358.338 2.480 0 1 FEAF Cc1cc(C)n2nc(NCCN(C)C)c(S(=O)(=O)c3ccccc3)c2n1 71319305 TWUVMZPWVMHWSE-UHFFFAOYSA-N 373.482 2.152 0 1 FEAF CC(C)CNc1nc(NCCCN)ncc1C(=O)NCCc1ccccc1 45358320 YSOIZKMZIZPHNF-UHFFFAOYSA-N 370.501 2.278 0 1 FEAF COCCN1CC[C@H]2CN(C(=O)NC3CCCCC3)CC[C@H]2CC1=O 15673850 HUXARUHYHXYGNS-HOTGVXAUSA-N 351.491 2.236 0 1 FEAF biogenic C/C(=C\CO)CC/C=C(\CO)CC[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1 238776490 RXGMJLUUKIBYON-PNQFJWSFSA-N 356.503 2.474 0 1 FEAF COC(=O)c1cc(OC)c2c(c1)[C@H](CO)[C@@H](c1ccc3c(c1)OCO3)O2 238786715 VRLLQDATJITICB-SUMWQHHRSA-N 358.346 2.420 0 1 FEAF CN(Cc1nc2ccccc2s1)C(=O)C[C@@H]1NNC(=O)[C@H]2CCCC[C@@H]12 618014992 HUBCVZXGQCMXIB-IPYPFGDCSA-N 372.494 2.454 0 1 FEAF COc1cc([C@@H]2O[C@H](c3ccc(O)c(OC)c3)[C@@]3(O)COC[C@H]23)ccc1O 38280459 BQVYHVVERMVPBC-ZNYHDOEXSA-N 374.389 2.305 0 1 FEAF biogenic CC1=CC(OCC(=O)c2ccc(Br)cc2)=NS(=O)(=O)O1 653690513 OXPGWGBPMSFWIE-UHFFFAOYSA-N 360.185 2.226 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CCO[C@H]2C3)N1 587795935 YULIVXUCQOTHJI-YNZJMPHRSA-N 355.251 2.422 0 1 FEAF CC(=O)c1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2c1 586929381 BBTLJMDBTQXEBF-UHFFFAOYSA-N 359.407 2.300 0 1 FEAF COC(=O)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C(=O)OC 587400344 QSWGQNAJSGFGDR-MVBJNABHSA-N 361.394 2.044 0 1 FEAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cnccc2[nH]1 586946230 OVSMPVDEOGAURT-ZDUSSCGKSA-N 372.450 2.391 0 1 FEAF CCOC(=O)[C@@]1(c2ccc(OC)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903380 UPXCWGBFAHUHFS-PXNSSMCTSA-N 373.380 2.240 0 1 FEAF O=C1N=C(N2CCN(C(=O)Nc3ccccc3)CC2)O[C@@H]1c1ccccc1 169346492 RFFWNEHDUCCDRD-QGZVFWFLSA-N 364.405 2.490 0 1 FEAF CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(Cl)c1Cl 58631423 ZEXYNHJGHHPEOL-UHFFFAOYSA-N 360.245 2.375 0 1 FEAF in-vitro C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@H]4CO)[C@H](O)[C@H](O)[C@@H]12 100780822 FQXFNQBHZJYODR-GZZVSVILSA-N 352.471 2.034 0 1 FEAF endogenous,in-man CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cc(O)cc12)c1cccc(F)c1 114345905 FKGMUZBYHNMNSM-INIZCTEOSA-N 369.400 2.288 0 1 FEAF CC(=CCc1c(O)cc(O)c2c1OC[C@H](c1ccc(O)cc1O)C2=O)CO 2356624965 VNIOZYSNZVSDPU-CQSZACIVSA-N 372.373 2.349 0 1 FEAF CN1CCN(CCC(=O)NCc2cccnc2N2CCCCCCC2)CC1 39518621 KTHHJHUNNLBIOJ-UHFFFAOYSA-N 373.545 2.106 0 1 FEAF CN(C)CCN(C)Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1 49070172 FKWINWUGGMXISB-UHFFFAOYSA-N 351.454 2.118 0 1 FEAF CCCCNS(=O)(=O)c1ccc2nc(C[S@](=O)CC3CC3)[nH]c2c1 586959141 LQVBHIMOEFQORH-HSZRJFAPSA-N 369.512 2.300 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(CCCc4nc(O)c(C(=O)O)cc41)[C@@H](C2)C3=O 587435923 KKJUQTZMHKZHDP-RNODOKPDSA-N 367.357 2.473 0 1 FEAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587784440 HBOIWDWSTPJSHC-HUUCEWRRSA-N 360.377 2.482 0 1 FEAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(-n3cnnn3)cc2[nH]1 587174544 KNRPJTCTLAWBPF-CQSZACIVSA-N 362.372 2.402 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc5c(cc41)OCCO5)[C@@H](C2)C3=O 587441874 UGJJDLVVUYHFLY-FKIZINRSSA-N 365.341 2.061 0 1 FEAF CN[C@H](c1cccnc1)c1nc2cc(I)cnc2[nH]1 587220991 FAPRXWVWIHBTKK-LLVKDONJSA-N 365.178 2.266 0 1 FEAF CCCOc1ccc(NC(N)=S)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 13755582 NOPBWPLSUBLPKN-UHFFFAOYSA-N 372.454 2.076 0 1 FEAF CS(=O)(=O)Nc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1 164835190 DUVODBHIWBTDSA-UHFFFAOYSA-N 354.395 2.387 0 1 FEAF COc1cccc(N(CC(=O)NC(C)(C)C)C(=O)[C@H]2CSC(=O)C2)c1 4898558 DSZPMBQDJQGLIJ-GFCCVEGCSA-N 364.467 2.223 0 3 FEAF COc1cc2c(cc1O)C[C@]21COc2cc(OC(C)=O)cc(O)c2C1=O 1857581763 WARDPLPTBYBFRI-IBGZPJMESA-N 356.330 2.101 0 1 FEAF C[C@@H](N=c1nc(-c2cccc(CO)c2)[nH]c(=N[C@H](C)C2CC2)[nH]1)C1CC1 1857770524 DXDMRKXHWQBBBA-CHWSQXEVSA-N 353.470 2.296 0 1 FEAF O=C(NCC1CCOCC1)c1n[nH]c2ccc(-c3cncc(CO)c3)cc12 1911577888 HMUYSTSHIXJVRO-UHFFFAOYSA-N 366.421 2.274 0 1 FEAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)C1(n2cnnn2)CCCCC1 2356423110 ODUXDEQINCLRPD-IRXDYDNUSA-N 360.506 2.055 0 1 FEAF CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@@H]13)O2 104433833 AVMYCGJNQUPEPM-XKGFGPFHSA-N 354.450 2.193 0 1 FEAF COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H](C(=O)O)[C@H]2CO)ccc1O 104340626 MAEVGGSLCDAPGW-PJIJBLCYSA-N 374.389 2.112 0 3 FEAF CNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@@H](C)C1=O)OCO3 29124482 JNNFGLXWKLJEIC-SNVBAGLBSA-N 366.377 2.035 0 1 FEAF COC(=O)[C@H]1[C@H]2C[C@H]3[C@H]4Nc5ccccc5[C@H]4CCN3C[C@H]2CC[C@H]1O 2356464776 BTQSFZZXBMGPAG-YMWIVRHVSA-N 356.466 2.219 0 1 FEAF CCC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 27622474 GPRVIMKKHHMUAV-UHFFFAOYSA-N 361.417 2.394 0 1 FEAF CO[P@@](=O)(CNC(=O)OCc1ccccc1)N1CCC[C@@H]1C(=O)O 29407496 VTBOQJCOXGCMGX-OZAJXLCCSA-N 356.315 2.259 0 1 FEAF CN(C(=O)OC(C)(C)C)[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O 2356822835 GGCKKDDNIMDFDY-VIFPVBQESA-N 356.341 2.155 0 1 FEAF CN1[C@H]2COC[C@H]1CC(OC(=O)c1cn(CC(F)F)c3ncccc13)C2 220961158 FNWZVIFEDQQORR-VXGBXAGGSA-N 365.380 2.320 0 1 FEAF CC(C)(C)NC(=O)C(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 45348837 MTTJETAWQQLASD-UHFFFAOYSA-N 374.872 2.452 0 1 FEAF NCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069431 FEBGCAQVHVJSKL-CQSZACIVSA-N 359.451 2.164 0 1 FEAF CCNc1cn(C)nc1C(=O)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 96938688 NCBBLHRPBMQLHR-LKFCYVNXSA-N 359.352 2.105 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@]13COC(=O)[C@H]1C=CC[C@]23O 85692932 GIJQQHRWYJFIMX-XEGUMIITSA-N 356.374 2.454 0 1 FEAF biogenic Cc1c(O)ccc2c1[C@@](C[C@H]1CCCN1)(c1ccco1)N[C@H](C(=O)O)C2 963512211 VTDRPXLNFFYBTE-QEEYODRMSA-N 356.422 2.278 0 1 FEAF O=C1COC[C@]2(C1)N[C@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963203996 VTKUDAAJTWXDBZ-HZMBPMFUSA-N 363.719 2.142 0 1 FEAF O=C(O)CCNC(=O)CC[C@@]1(c2ccccc2)NCCc2ccc(O)cc21 963352132 JMERVGWORXVDAR-NRFANRHFSA-N 368.433 2.153 0 1 FEAF CN1CC2(CCN(c3cncc([C@@](C)(O)C(F)(F)F)c3)CC2)CC1=O 1772616538 QVBNRWOOFURQGI-OAHLLOKOSA-N 357.376 2.300 0 1 FEAF C[C@]1(O)CCc2c(C(=O)Nc3cnn(Cc4ccccc4)c3)n[nH]c2C1 169348891 WVDMHDQZEGPDPR-IBGZPJMESA-N 351.410 2.147 0 1 FEAF O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1cc(-c3ccc(F)cc3)ncn1)C2 209507457 JVHOZABDDIXULK-GFCCVEGCSA-N 357.301 2.227 0 1 FEAF Cn1c2ccccc2n2cc(/C=C3/C(=O)N4C(C(=O)O)=CS[C@H]34)nc12 29130471 SKSRTCHIFULORT-IZIDJEDMSA-N 352.375 2.051 0 1 FEAF C/C=C1\CN2CC[C@@]34c5ccccc5N(C)[C@@]23C(=O)C[C@H]1[C@H]4C(=O)OC 103571708 OVWZWXBYBKIZDC-LYYRWTNESA-N 352.434 2.114 0 1 FEAF biogenic,in-vitro CO[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@@]23O[C@H](O)[C@@H]([C@H]1OC)[C@H]2CC3(C)C 2356585009 AAWDEFFPMVTDSD-HQERQYKXSA-N 354.443 2.048 0 1 FEAF CN1C[C@H](NCC2CC2)CCC[C@H](C(=O)N(C)Cc2cccnc2)CC1=O 2356682487 VRNSOBCUHQEVEI-RBUKOAKNSA-N 372.513 2.057 0 1 FEAF CCc1c(-c2ccc(N3CC[C@H](CNC)C3)cc2)[nH]c(=O)c(C(=O)O)c1O 145348487 KRDBDWRFPGBUBT-GFCCVEGCSA-N 371.437 2.054 0 1 FEAF CC1(C)[C@@H](O)CC[C@]2(C)[C@H](C/C=C3\C(=O)OC[C@@H]3O)[C@]3(CC[C@@H]12)CO3 95486145 RAQQINDVFHKETO-KPDLBEQNSA-N 350.455 2.203 0 1 FEAF biogenic,in-vitro COc1ccc(N2C(=O)[C@H]3C[C@H](NC(=O)C4CCCC4)CCN3C2=O)cc1 25197512 MWELBUMJDKWCQE-RHSMWYFYSA-N 371.437 2.301 0 1 FEAF biogenic O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](O)[C@H]2CCCC[C@@H]12 253975570 OXOQFLQOQYZUGT-IIYDPXPESA-N 364.833 2.437 0 1 FEAF Nc1ccc(CNC(=O)c2ccc(Cl)cc2OCC(=O)O)c(F)c1 263620455 GFJYPJDGRCZNDI-UHFFFAOYSA-N 352.749 2.455 0 1 FEAF in-vitro CN(CCc1ccccc1)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)N2CCCC2)O1 30879243 FBMDCRHSXJKUKO-UFYCRDLUSA-N 360.498 2.082 0 1 FEAF biogenic COc1cc2nc(C)nc(-n3[nH]c(-c4ccccn4)nc3=N)c2cc1OC 653687429 FWEOXDHHSSZPBO-UHFFFAOYSA-N 363.381 2.011 0 1 FEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)F)ncc2[nH]1 587202313 CLAPKABVLXOQRO-SECBINFHSA-N 357.336 2.056 0 1 FEAF CCOC(=O)[C@]1(C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587800810 ZNKQKGMMSBLQQE-ANRSDYALSA-N 358.207 2.470 0 1 FEAF C[C@@]1(c2cccc(N3C(=O)C=CC3=O)c2)NCCc2nc3ccccn3c21 962981917 HPFAHRHDJDFHMB-NRFANRHFSA-N 358.401 2.173 0 1 FEAF CC[C@H](C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@H]32 15200278 ABLNQMKQYJQVRR-PPHDZOKRSA-N 362.422 2.260 0 1 FEAF Cn1ncnc1[C@@H]1c2n[nH]c(=O)c3cccc(c23)N[C@H]1c1ccc(F)cc1 117890452 VGCYLQAHCSEGLE-HOTGVXAUSA-N 362.368 2.489 0 1 FEAF O=C1Nc2ccccc2C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)C[C@H]12 1857640572 WXUZPFXDYNLMFQ-MRXNPFEDSA-N 369.808 2.259 0 1 FEAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@H]([C@H](O)CCCCCC[C@@H](O)CC(=O)O)C=CN21 2356363693 LTVJDZIDZGZAIH-MGYGNFHQSA-N 369.502 2.271 0 1 FEAF O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 101752477 UMRYQUBZRNBMRO-SCJBOUJKSA-N 366.461 2.367 0 1 FEAF CC(C)[C@]1(O)C=C[C@@](C)(O)CC=C[C@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 2356695653 PZFBVODTZGEVTO-BTHPGYMESA-N 350.455 2.414 0 1 FEAF COC1=C[C@@H]2C3=C([C@@H](N(C)C)CCc4cc5c(c(OC)c43)OCO5)[C@@H]2C1=O 14416404 BGAYOJPUUZKBLT-BWACUDIHSA-N 369.417 2.413 0 1 FEAF biogenic COc1ccc(CNC(=O)c2c(C)n(O)c3ccc(OC)cc3[n+]2=O)cc1 49113245 BEQROZUIFRYCNV-UHFFFAOYSA-O 370.385 2.049 0 1 FEAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C[C@@H]1O[C@@H]1CCCC(=O)O 40165448 CBOBGOJUDRNUHE-PVCHNYDFSA-N 368.470 2.462 0 1 FEAF endogenous,in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C 86010728 YOQIGAVHLYFIAF-MBSGZXRSSA-N 364.438 2.243 0 1 FEAF in-man CCn1ncc2cc(-c3cc(=O)n4ncc(-c5nnc(C)o5)c4[nH]3)ccc21 143303344 XQZMIVYKFCAGMO-UHFFFAOYSA-N 361.365 2.418 0 1 FEAF CCN(CC)CC(=O)Nc1ccccc1[C@@H]1N[C@H]2CCCC[C@H]2NC1=O 618016464 QKFUGGCLXOVUFE-SCTDSRPQSA-N 358.486 2.039 0 1 FEAF O=C(c1ccc2c(c1)OCO2)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 377803817 RSYXOEGZMLAXBI-UHFFFAOYSA-O 369.744 2.343 0 1 FEAF O=c1c2cc(Cl)ccc2cnn1-c1cc(C(F)(F)F)nc2ncnn12 587651663 NQAWVKSIQIZIKY-UHFFFAOYSA-N 366.690 2.496 0 1 FEAF OC1CCN(Cc2cccc(OC[C@H](O)CN3CCCCCC3)c2)CC1 12713705 LAOXGPQRZAYZSJ-HXUWFJFHSA-N 362.514 2.259 0 1 FEAF NC(=S)c1cccc(-c2cn(CC(CO)CO)c3cc(N)ccc23)c1 1857606678 MJPQMQMSDSQXKR-UHFFFAOYSA-N 355.463 2.126 0 1 FEAF O[C@@H]1[C@H](NCc2ccccc2Cl)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(Cl)cn1 2356320725 GZIXWZGEJDJDIK-QCODTGAPSA-N 370.236 2.005 0 1 FEAF C[C@]12C(=CC[C@]34COC(=O)C3=CCC[C@@H]41)C(=O)O[C@H](c1ccoc1)[C@H]2O 2356417619 GYLOEZJWLQFGKI-KACZPEKHSA-N 356.374 2.454 0 1 FEAF Cc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc(=NC(C)C)[nH]1 1911572353 YSFBNGNWOZFAPZ-UHFFFAOYSA-N 357.433 2.129 0 1 FEAF CC(C)C(=O)c1c(O)c2c(c3c1OC(C)(C)[C@@H](O)C3)O[C@@H](C(C)(C)O)C2 2356526707 ICOCIMFFQBVFCG-QWHCGFSZSA-N 364.438 2.380 0 1 FEAF C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@H](C)[C@H](C)O)=C/C[C@H]12 139653929 JTFXNPPZNWSQAJ-QNIDCIEISA-N 364.438 2.063 0 1 FEAF CCN(CC)c1nc2c(N)nc(OCCOC)nc2n1Cc1ccccc1 40762425 MUOLYEHDHXVKJD-UHFFFAOYSA-N 370.457 2.328 0 1 FEAF CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@]2(C)O[C@@H]2C)OC1=O 257487360 MTYSOJAHTIASFA-MPYXIMJCSA-N 364.438 2.135 0 1 FEAF endogenous,in-man CCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2c(C(=O)O)cccc12 587638087 KPJOPGZYSQXVET-AWEZNQCLSA-N 358.394 2.183 0 1 FEAF COC(=O)[C@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587803380 ACFGRSZEQSAFKM-VXJOIVPMSA-N 358.207 2.470 0 1 FEAF CN(C)S(=O)(=O)CCc1nc2cc(Br)cc(Cl)c2[nH]1 586930284 JLEGVECBCCTRNO-UHFFFAOYSA-N 366.668 2.413 0 1 FEAF Clc1ncnc2[nH]c(-c3nccnc3I)nc12 587186843 WQPCEFRINCFSBB-UHFFFAOYSA-N 358.530 2.068 0 1 FEAF COC(=O)[C@H](C)n1cccc1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962930565 LWSFYJQNBFBHNG-SCLBCKFNSA-N 355.438 2.159 0 1 FEAF Cc1ccc(CNc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc1 1772579224 GKNIZGJYLWKLMB-SFHVURJKSA-N 363.417 2.368 0 1 FEAF O=C(CCC(=O)N1Cc2ccccc2Oc2ncccc21)N1CCOCC1 6902109 DHPZJZVKYBPYGS-UHFFFAOYSA-N 367.405 2.360 0 1 FEAF CC(C)[C@@H]1C=C[C@](C)(O)CC[C@@H](O)[C@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 2356421238 ZXUDZQNLOBXDTI-OJXKADHTSA-N 352.471 2.494 0 1 FEAF CC(C)CCn1nnnc1[C@H](c1ccc(F)cc1)N1CCC(C(N)=O)CC1 59866391 GJDJTGRUUFVDLF-KRWDZBQOSA-N 374.464 2.145 0 3 FEAF Cn1ccnc1CNC(=O)Nc1nnc(CCC(=O)c2ccccc2)s1 23581720 LZJUTNMYICRZNT-UHFFFAOYSA-N 370.438 2.409 0 1 FEAF O=c1c2cc(F)c(N3CCCC3)cc2n(Cc2ccccc2)c(=O)n1O 28378710 HBIONYKTDLYWSI-UHFFFAOYSA-N 355.369 2.188 0 1 FEAF O=C1[C@H]2CCCN2C(=O)N1CCCCNC[C@@H]1CCc2ccccc2O1 73198271 IFSDSWUCBOYCCT-DLBZAZTESA-N 357.454 2.177 0 1 FEAF O=C(/C=C/c1ccccc1)NCC[C@@H](O)CNC(=O)/C=C/c1ccccc1 139275031 LGWKKNKCOSDCAP-FYVUJZAJSA-N 364.445 2.397 0 1 FEAF COc1ccc(CCNc2nc(N3CCOCC3)ncc2C)cc1OC 82202763 JEGOYAQCCFXQBC-UHFFFAOYSA-N 358.442 2.293 0 1 FEAF COc1cc2c3c(c1)O[C@](C)(c1ccc(S(N)(=O)=O)cc1)[C@@H](C2)C3=O 587447479 AKJQIYRDUPPKBN-KBXCAEBGSA-N 359.403 2.005 0 1 FEAF N[C@H](Cc1ccc(I)cc1)c1nc2cnncc2[nH]1 587186534 XGTQTNNNJSVCKF-SNVBAGLBSA-N 365.178 2.200 0 1 FEAF COC(=O)c1cc(Br)c2[nH]c([C@H]3CSCC(=O)N3)nc2c1 587044201 RRWJJLQFKOCHLD-SECBINFHSA-N 370.228 2.016 0 1 FEAF CC1=C(c2ccc3nc(CS(=O)(=O)C4CCCC4)[nH]c3c2)NNC(=O)C1 586923923 AKYMLDWOXJXOEG-UHFFFAOYSA-N 374.466 2.176 0 1 FEAF Cc1cc(Br)ccc1OCc1nc2c(O)nc(N)nc2[nH]1 586981810 UIINQHYJZSGTMK-UHFFFAOYSA-N 350.176 2.291 0 1 FEAF C[C@@H](Nc1c(-c2ccc(N3CCOCC3)cc2)c(=O)c1=O)c1ccccn1 1772631666 COQWNPSTYUCQGO-CQSZACIVSA-N 363.417 2.354 0 1 FEAF O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cnn2[nH]c(=O)cnc12 1772613978 OWIYRPIJTDKPDU-UHFFFAOYSA-N 372.816 2.314 0 1 FEAF CCCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@@]23C=C[C@H]1O3 169355444 AVMYCGJNQUPEPM-IKVWTGGYSA-N 354.450 2.193 0 3 FEAF CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(OS(N)(=O)=O)cc1 1857572286 CSXZXOBNKKZQOB-GOSISDBHSA-N 373.434 2.275 0 1 FEAF Cc1cccc(NC(=O)C2CCN(c3c(N4CCCC4)c(=O)c3=O)CC2)c1 6816936 DFIMFBVXJOHZFJ-UHFFFAOYSA-N 367.449 2.046 0 3 FEAF OC[C@@H]1[C@H](O)C[C@H](NCC2CC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356289334 UBQIVEBIWLHCRB-FUMNGEBKSA-N 353.466 2.044 0 1 FEAF O=S(=O)(NCCNCCc1ccccc1)c1cccc2cnccc12 27553938 ZRWCRIAUQYKGTG-UHFFFAOYSA-N 355.463 2.345 0 1 FEAF CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)C1CCCCC1 103227218 GIEJJHIHMWBJJR-FVQHAEBGSA-N 351.491 2.139 0 1 FEAF COc1cccc([C@@H](O)[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)c1 66261972 NIAUXNVQWNKKKL-ZOCIIQOWSA-N 356.374 2.489 0 1 FEAF COC(=O)[C@@H]1CO[C@@]2(CCO)CC[C@@H]3c4[nH]c5ccccc5c4C[C@@H]1N3C2 2356459949 GAMRURZRBQMIOC-LAVAIGHBSA-N 370.449 2.170 0 1 FEAF COc1ccc(NC(=O)NC[C@@H]2COCc3nc4cccnc4n32)cc1 2356501908 QMSOPICSFMIYIP-CYBMUJFWSA-N 353.382 2.333 0 1 FEAF CC(C=CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)=C[C@H](C)CC(=O)O 2356539497 QDUUNHXRESPFEU-XJKSGUPXSA-N 361.394 2.117 0 1 FEAF CC(=O)N1CCCN(C(=O)c2c(-c3ccccc3)noc2[C@@H](C)O)CC1 2356571561 VAXORISFNOHXQC-CYBMUJFWSA-N 357.410 2.089 0 1 FEAF C[C@@]12OC[C@H]3O[C@]4(O)[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]4(CO1)[C@H]32 238779340 CJESTWPBFVQPRY-WETJQQFPSA-N 362.466 2.360 0 1 FEAF C/C=C1\CN(C)[C@H]2C[C@@H]3[C@H](N[C@@H]4CCCC[C@H]34)C(=O)C[C@@H]1[C@H]2C(=O)OC 238739722 AYJGPXFEPLVVNT-LULVZSFXSA-N 360.498 2.162 0 1 FEAF O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CCC1 95568446 UIWMPEMTOGIUIE-ACRUOGEOSA-N 365.477 2.327 0 1 FEAF CCOC(=O)c1c(-c2ccccc2)n(O)c2ccc(C(=O)OC)cc2[n+]1=O 377845673 YUCJJXFRHUGIHZ-UHFFFAOYSA-N 369.353 2.423 0 1 FEAF C=C1NN=C(n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)NC1=O 587867158 WKQNBJSIDLQTGP-UHFFFAOYSA-N 365.315 2.320 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C 169662913 YOQIGAVHLYFIAF-GBKWMQNZSA-N 364.438 2.243 0 1 FEAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O 2493272 INOVOIWPFWKELS-UQWVRRKUSA-N 366.502 2.016 0 1 FEAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@H]4CCOC4)c(=O)n1c23 1857620861 VGDSRFGNVGDCAL-GHMZBOCLSA-N 360.385 2.120 0 1 FEAF COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@]43O 2356414457 KNYQYTPZSISGOC-YSCIFQABSA-N 354.450 2.250 0 1 FEAF COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1N1C(=O)CCC1=O 3819363 AQDKTMNNTBEDFZ-UHFFFAOYSA-N 363.373 2.176 0 1 FEAF OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)cc32)C[C@@H]1O 26505569 URGZUACJXQAGMG-OUCADQQQSA-N 352.822 2.080 0 1 FEAF C[C@@H](O)[C@@H]1CC[C@@]2(O)[C@]3(O)C[C@H](O)[C@]45C[C@@H]4CC[C@]5(C)[C@H]3CC[C@]12C 2356550745 YMAXHUPCQQAPPC-DVOSQYBJSA-N 350.499 2.227 0 1 FEAF COc1ccc(C[C@@H](CO)[C@H](CO)Cc2ccc3c(c2)OCO3)cc1OC 14437670 NRCFNUXLFQWEKJ-IRXDYDNUSA-N 374.433 2.435 0 1 FEAF biogenic COC(=O)c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C)C=C[C@]3(C)O2)ccc1Cl 136710130 ATODAEUNOWKXRM-LUVWLHFXSA-N 361.781 2.350 0 1 FEAF Nc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cn1 49112190 VREXRLSVTLIYBI-UHFFFAOYSA-N 373.420 2.296 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@H]1C[C@@H](O)[C@@]13COC(=O)[C@@H]1C=CC[C@H]23 238744510 FEZPPVYOZYNLPZ-LLHZONGHSA-N 358.390 2.390 0 1 FEAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@H]21)[C@@](O)(CO)C3 95635855 BOUZNRKTKNKATH-OTIFBMECSA-N 366.454 2.128 0 1 FEAF in-vitro NS(=O)(=O)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2F)cc1 96917049 NKPOHOZIZMAZSF-OAHLLOKOSA-N 352.412 2.252 0 1 FEAF CCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(N3CCNCC3)cc21 653916428 YHFLSSKUWOZVQY-UHFFFAOYSA-N 373.457 2.276 0 1 FEAF O=C1C[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CN1Cc1ccco1 587653640 CNBPVWWBTGNNTL-GFCCVEGCSA-N 371.780 2.332 0 1 FEAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1c[nH]c4ncccc14)[C@@H](C2)C3=O 587441938 VNZWONFBMYZOKM-HXPMCKFVSA-N 350.330 2.299 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(c4ccccc4)N(C)[C@@H]1C)[C@@H](C2)C3=O 587436939 VQIHRCOREWJGIO-PTPDTQQLSA-N 364.401 2.464 0 1 FEAF O=C(Nc1nc(Cc2nc3c(O)ncnc3[nH]2)cs1)c1cccc(O)c1 587019585 OXVUUJSMTDBARK-UHFFFAOYSA-N 368.378 2.064 0 1 FEAF CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@]1(C2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962908271 UZEQJTQHJBXBRG-WEFJBSGNSA-N 360.429 2.322 0 1 FEAF Cc1c(O)ccc2c1[C@@]1(CCOCC[C@H]1C(F)(F)F)N[C@H](C(=O)O)C2 963548412 FPYVRBMSKDPMRM-GHJWDPDVSA-N 359.344 2.484 0 1 FEAF CS(=O)(=O)c1n[nH]c(-c2ccc3ncc(Br)cc3c2)n1 1857637984 QECCDWFUACSJKY-UHFFFAOYSA-N 353.201 2.186 0 1 FEAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(F)c3)nc(CO)c12 1772619858 JJNOQMFXXWRIEQ-SECBINFHSA-N 359.361 2.481 0 1 FEAF O[C@@H]1[C@H](NC2CCCC2)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1 2356319117 DBYCJLIIEGBOPY-WAPOTWQKSA-N 355.438 2.108 0 1 FEAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCO 4049191 AGKGKBZBVDWXGL-MJGOQNOKSA-N 354.406 2.286 0 1 FEAF C[C@@]12[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13CC(=O)[C@@](CO)(CC[C@@H]21)C3 35066360 YOSYVBLVJBQEMG-BOLYJDAVSA-N 350.455 2.386 0 1 FEAF CCn1cnnc1Cc1nc2c([nH]1)C[C@@H](c1ccc(Cl)cc1)CNC2=O 65395621 PUWYLXHWJOFZDX-GFCCVEGCSA-N 370.844 2.335 0 1 FEAF c1ccc(-c2cc3ccc(N4CCNCC4)nc3nc2N2CCNCC2)cc1 32063632 INFUSEURFOIJHM-UHFFFAOYSA-N 374.492 2.116 0 1 FEAF CN1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2cccnc2)no1 12529864 ISLQXHDMUOBRJU-HOTGVXAUSA-N 367.384 2.446 0 1 FEAF biogenic Nc1ncc(I)c(-c2c[nH]c3c(N)cccc23)n1 72109680 DYYPBYQGMZIFTA-UHFFFAOYSA-N 351.151 2.394 0 1 FEAF CC[C@@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)N[C@@H](CO)CC(C)C 25430247 DHLMLMAXOBXOJG-IXDOHACOSA-N 355.523 2.366 0 1 FEAF biogenic Cc1cc2c(cc1C)-n1nnnc1[C@H](N(C)CCc1ccccc1)C(=O)N2 95602367 UPPDYIKOVLQESW-SFHVURJKSA-N 362.437 2.447 0 3 FEAF COc1cc([C@@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2C)ccc1O 238757086 PHIVNUJAJIMVQE-WOJBJXKFSA-N 362.422 2.107 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@@H](CO)CC(C)C 299882694 QEJDHXPCFIAKER-LDRUJHKZSA-N 368.518 2.262 0 1 FEAF COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1F 653912886 OGQKSJSZUZYROA-CYBMUJFWSA-N 353.419 2.132 0 1 FEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 587226396 ZBKIHZNRKSXXMT-ZDUSSCGKSA-N 366.421 2.348 0 1 FEAF COC(=O)c1cccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c12 586951092 IACAMTXYPNDLFC-UHFFFAOYSA-N 366.424 2.153 0 1 FEAF COc1cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc(OC)c1O 587786800 XLQZRLZIZAEGTN-UHFFFAOYSA-N 350.352 2.199 0 1 FEAF Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O 601448 JGYVZUCCBOVDJE-MJGOQNOKSA-N 359.397 2.309 0 1 FEAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(C[C@H](C)O)no1 3590199 SFQLHXHCSGVAAY-AWEZNQCLSA-N 371.441 2.417 0 1 FEAF Cc1ccn2nc(S(=O)(=O)Nc3c(Cl)ccc4cccnc34)nc2n1 103286357 LSMMKKYNTPOQHR-UHFFFAOYSA-N 374.813 2.435 0 1 FEAF Nc1[nH]cnc2c(CN3C[C@H](CSCc4ccccc4)[C@@H](O)C3)cnc1-2 101025356 GOJSQVMCDGVZQI-CVEARBPZSA-N 369.494 2.218 0 1 FEAF C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100917068 FBCMKFWBKKWECU-WBOJAVRRSA-N 350.484 2.491 0 1 FEAF COc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccccc2)c1 114077959 LNNAHRUKLVTDBH-UHFFFAOYSA-N 351.410 2.156 0 1 FEAF Cc1cc(O)ccc1-c1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1C 29057137 TZZSQLUXEXIBKL-UHFFFAOYSA-N 365.393 2.451 0 1 FEAF CN1C(=O)[C@H]2C[C@@H](CN2Cc2ccc(C(=O)O)cc2)Oc2ccccc21 2356558430 ZTEKBOFAUJMLSH-DOTOQJQBSA-N 352.390 2.383 0 1 FEAF COc1ccc2c(c1)CN(C(=O)c1cccnc1)CC[C@@H]1COC(=O)N21 2356733468 XJAUQTUZOZRBOV-OAHLLOKOSA-N 353.378 2.462 0 1 FEAF Cc1ncc(Cn2nc(-c3nc(C(F)(F)F)n[nH]3)c3cccnc32)cn1 73164418 QAXGZFQDGNOCEI-UHFFFAOYSA-N 360.303 2.382 0 1 FEAF CCCC[C@H](N)[P@](=O)(O)C(=S)NCC(=O)OCc1ccccc1 49087646 JDLSUNZUSDDXBS-CYBMUJFWSA-N 358.400 2.350 0 1 FEAF CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccc1 95794495 CKJQXFVSYNFZRY-AZUAARDMSA-N 364.445 2.278 0 1 FEAF O=C(C1CC1)N1[C@H](CO)[C@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 95797593 WNOJPRMUMXTARY-CVEARBPZSA-N 368.399 2.390 0 1 FEAF COc1ccc(C2(NC(=O)[C@@H]3NC(=O)[C@@H]4CCCC[C@@H]4N3)CCCC2)cc1 618014529 WAGLEKRWDMAQNK-SQNIBIBYSA-N 371.481 2.185 0 1 FEAF Oc1nc(-c2cc(-c3ncon3)n(Cc3ccccc3F)n2)ncc1F 653835876 SVVVLSQTOPLJQQ-UHFFFAOYSA-N 356.292 2.422 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C=C(C)N(C[C@@H]4CCCO4)C(=O)C1)[C@@H](C2)C3=O 587434844 CIVFCVWMPYVYSY-WDUKFBBWSA-N 369.417 2.497 0 1 FEAF N=c1[nH]c2nc(-c3cnn4cccc(Br)c34)nc-2c(Cl)[nH]1 587007125 VSYUNNJTZRGWCY-UHFFFAOYSA-N 364.594 2.448 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)nc1)[C@@H](C2)C3=O 587442253 IAKHMMWOIKEYSY-MGPUTAFESA-N 352.390 2.416 0 1 FEAF Oc1cc(O)nc(SCc2nc3cc(Br)ncc3[nH]2)n1 586967062 TUUVJLPYBZJVLT-UHFFFAOYSA-N 354.189 2.214 0 1 FEAF CC(C)(C)OC(=O)N1CC[C@H]2c3nc4nc(O)nc(O)c4cc3CC[C@H]21 587557454 IHOLQZJUAGFOLP-ZYHUDNBSSA-N 358.398 2.475 0 1 FEAF CN1CCN(c2ccc3nc(-c4cccc(S(C)(=O)=O)c4)[nH]c3c2)CC1 586926153 LJQBKXYGELAGGI-UHFFFAOYSA-N 370.478 2.385 0 1 FEAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(S(N)(=O)=O)cc1 963047351 NZSROYMKUQAXJF-SFHVURJKSA-N 369.446 2.126 0 1 FEAF CC(=O)NC1(c2ccccc2)CCN(Cc2nnnn2C(C)(C)C)CC1 4356401 LCBBECJDWAWHLF-UHFFFAOYSA-N 356.474 2.056 0 3 FEAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C)nc3Cl)c2n1 28570390 MRUPZBXKGMZQKL-UHFFFAOYSA-N 361.837 2.319 0 1 FEAF CCOP(=O)(CC/C=C/Cn1cc(Cl)c(=O)[nH]c1=O)OCC 66112286 NEWJSCWZSUGULL-AATRIKPKSA-N 350.739 2.402 0 1 FEAF COc1cc(C=CC(=O)NCCCCn2c(C=O)ccc2CO)ccc1O 2356745725 SCHKABUWAYOIBY-UHFFFAOYSA-N 372.421 2.117 0 1 FEAF CC[C@@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O 2356781068 HQZUCSQUBHQEDH-IORZZDDBSA-N 352.434 2.393 0 1 FEAF C[C@@]1(c2ccccc2)OC(=O)c2c1ccn(CCCN1CCOCC1)c2=O 96909302 PZEXPPBWGXWSEG-NRFANRHFSA-N 368.433 2.005 0 1 FEAF N[C@H](CNC1CCCCC1)[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O 653856979 DDFITBNCTUGZCA-WBVHZDCISA-N 368.414 2.407 0 1 FEAF Cn1nc(-c2cnc(N)c(-c3cn[nH]c3)n2)nc1C1(c2ccccc2)CC1 1772646208 RJOTUMAUCUPABW-UHFFFAOYSA-N 358.409 2.324 0 1 FEAF O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C/c1cnc[nH]1 1772627900 PZFGJJSDAMTYRU-IISPMBILSA-N 374.400 2.366 0 1 FEAF O=C(CCc1nc2cccnc2n1Cc1ccccc1)N1CCOCC1 4901181 DSMAPOQHBZOKGU-UHFFFAOYSA-N 350.422 2.271 0 3 FEAF C[S@@](=O)CCCCCCNC(=O)NCCCCCC[S@](C)=O 15122108 RGRPFEZBDDSTNV-SZPZYZBQSA-N 352.566 2.163 0 1 FEAF biogenic C[C@]1(c2cccc(NC(=O)c3ccc(C(N)=O)cn3)c2)CCSC(N)=N1 143630574 DIQKWLYXJBCWSP-GOSISDBHSA-N 369.450 2.100 0 1 FEAF Cc1ccc(Cn2nnc3c2-c2ccccc2S(=O)(=O)N(C)C3)cc1 96019393 MEXFMZIKIAMTLQ-UHFFFAOYSA-N 354.435 2.436 0 3 FEAF CCCCc1cnc(N)c(-c2nc(=Nc3ccc4nc(O)oc4c3)[nH]o2)n1 473154198 FEYPJCRVZVUJGM-UHFFFAOYSA-N 367.369 2.464 0 1 FEAF NC(=O)c1cccc(C[C@H](N)c2nc3ccnc(Br)c3[nH]2)c1 587260006 PWVLJDKKRVANCX-JTQLQIEISA-N 360.215 2.062 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(Cc3ccccc3)C[C@@H]1C(=O)O)O2 587393383 HLXLEHXNQOPKTB-IIBYNOLFSA-N 366.417 2.498 0 1 FEAF CCOC(=O)[C@]1(c2ccc(OC)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903378 UPXCWGBFAHUHFS-FXAWDEMLSA-N 373.380 2.240 0 1 FEAF CC[C@@H](C(=O)NC[C@@H]1CCCO1)n1nc(C)n2c(cc3sccc32)c1=O 5108462 VCQPPNGOHZSULG-STQMWFEESA-N 374.466 2.265 0 1 FEAF CS(=O)(=O)Cc1cc([C@@]23CCOC[C@@H]2C3)nc(-c2cccc(O)c2)n1 1857556916 UDQJQGMNDZPETH-SCLBCKFNSA-N 360.435 2.072 0 1 FEAF COc1ccc([C@@H]2Oc3cc(O)c(OC)c(O)c3C(=O)[C@H]2OC)cc1O 2356420470 CCWSQXBMKLEALQ-FUHWJXTLSA-N 362.334 2.152 0 1 FEAF CC(C)=C[C@@H]1O[C@@]2(C)C[C@H](O)O[C@]13[C@H]2C(=O)[C@]1(O)[C@@H](C)CC[C@H]1[C@H]3C 2356478410 CVPRVMFLHNNGRF-HHDLOUJISA-N 350.455 2.200 0 1 FEAF Cc1ncsc1CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1 117365297 WJWLTLAIHKFPCH-UHFFFAOYSA-N 370.478 2.171 0 1 FEAF Cn1ncnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@H]1c1ccccc1 117866744 RJXIQUMBMLJTTJ-HOTGVXAUSA-N 362.368 2.489 0 1 FEAF O=C(O)c1ccc(CN2C[C@@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)cc1 2356516370 VVKCKHPQPJRUFV-GDBMZVCRSA-N 370.384 2.395 0 1 FEAF Cc1noc([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CC23CCOCC3)n1 75877079 KVEDORSJSMBGJS-AWEZNQCLSA-N 367.409 2.291 0 1 FEAF Nc1ccccc1-c1nnc(C(=O)NCc2ccc(Cn3cccn3)cc2)o1 43023656 KSSLPAARWLJEOL-UHFFFAOYSA-N 374.404 2.494 0 1 FEAF COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc32)CC1 40916016 LNDCOGLNEQSIJF-UHFFFAOYSA-N 352.438 2.160 0 1 FEAF CC(C)[C@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(C(C)C)c2=O)N1 82206262 JQOGIQASCSZOJD-OAHLLOKOSA-N 358.442 2.359 0 1 FEAF CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)C1 299871924 ZMBMKZZELJBYBS-GOSISDBHSA-N 362.426 2.420 0 1 FEAF O=C(O)[C@@]12CCCN(Cc3ccccc3)C[C@@H]1CN(c1ncccn1)C2 299842621 VYGGRHVQTDJUJN-YLJYHZDGSA-N 352.438 2.280 0 1 FEAF Oc1nc(O)c2ccc(C[C@](O)(c3ccccc3)C(F)(F)F)nc2n1 587368319 GWUIHFMCFBTUHS-HNNXBMFYSA-N 351.284 2.429 0 1 FEAF CNS(=O)(=O)c1ccc(CCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 586946665 ODGJGMZWCVOLBW-UHFFFAOYSA-N 355.423 2.133 0 1 FEAF COC(=O)/C(=C\N(C)C)[C@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429544 PJIZQALYWCBURE-KRTQQXTASA-N 357.406 2.210 0 1 FEAF CCCCCCC[C@@](C)(O)/C=C/[C@H](NC(=O)C(C)(C)CO)C(=O)OC 200291584 AIXCNRAGZJBODF-DKLFZZQDSA-N 357.491 2.330 0 1 FEAF NC(=O)c1nc(-c2ccccc2O)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1 1857573421 YNCGVGVXBSUEFC-UHFFFAOYSA-N 363.377 2.292 0 1 FEAF Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 4919576 JWOUTTBBFSTQRZ-HNNXBMFYSA-N 359.451 2.429 0 1 FEAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccn2)nc1 29038964 LCTVICMIXJKWJP-UHFFFAOYSA-N 369.328 2.147 0 1 FEAF O=C(C1CCOCC1)N1C[C@@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356299879 PTLYGNZUPZWFRY-CZUORRHYSA-N 365.380 2.194 0 1 FEAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 2356510244 RGGZJJQAMCJCBP-RCCFBDPRSA-N 365.543 2.017 0 1 FEAF C[C@H](O)[C@@H]1CC[C@@]2(O)[C@]3(O)C[C@H](O)[C@]45C[C@@H]4CC[C@]5(C)[C@H]3CC[C@]12C 2356550747 YMAXHUPCQQAPPC-HYKLTSKESA-N 350.499 2.227 0 1 FEAF CC=C1CN2CC[C@H]1[C@]1(C(=O)OC)C(=O)[C@@]3(C=Nc4ccccc43)C[C@@H]21 2356560399 YKPZGONKWNPTTK-HZNDTHDVSA-N 350.418 2.423 0 1 FEAF CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@H](CO)[C@@H]2N(C(C)=O)c1ccccc13 2356733910 FOIHCGYTOYBKSL-XKPGHWPRSA-N 368.477 2.139 0 1 FEAF CCc1c(F)c(N2CCNCC2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 40466988 KCFGOPGTZAABMI-UHFFFAOYSA-N 359.401 2.146 0 1 FEAF OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)C[C@H]1O 40690210 QHUNSJYFZSECMJ-DYEKYZERSA-N 352.822 2.080 0 1 FEAF CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2cccc3cc[nH]c23)n1 95583914 PIPOUPBWXJODLO-UHFFFAOYSA-N 372.450 2.006 0 1 FEAF NC(=O)c1cccc2[nH]n(C3CCN(C[C@H]4CC=CCC4)CC3)c(=O)c12 146724480 MHOBIUHIHRMJRE-AWEZNQCLSA-N 354.454 2.422 0 1 FEAF CCOC(=O)N1CCC(CN2CC(N3C(=O)Cc4ccccc43)C2)CC1 95588214 XNMRJBAZODGLIG-UHFFFAOYSA-N 357.454 2.128 0 1 FEAF O=C(Cc1ccccc1)N1Cc2ncn(Cc3ccccc3)c2C[C@H]1CO 13446927 IASSYGMCRYZWQG-IBGZPJMESA-N 361.445 2.420 0 1 FEAF CCCc1ccc2oc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)OC)c(C)c2c1 15075256 HDTWKCVCSRSVIO-HNNXBMFYSA-N 372.421 2.197 0 3 FEAF Cc1ccc2c(c1)[C@]1(C)CCC[C@H](NC(=O)CCN3CCN(C)CC3)[C@@H]1O2 169323944 BDYODUBJUBXYNI-NYVOZVTQSA-N 371.525 2.320 0 1 FEAF CCCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169373237 STRMKLVHDMFVTN-PJDQGGJPSA-N 355.434 2.226 0 1 FEAF O=C1c2ccccc2C2=NC(=S)N[C@H](c3cccc(OCCO)c3)[C@@H]12 169726086 NWXXFXZHQVXMSE-HZPDHXFCSA-N 352.415 2.289 0 1 FEAF CC(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 2356351453 XWBYDIRYYVNTEF-BWPNAZKDSA-N 373.472 2.429 0 1 FEAF CCOC(=O)c1c(NCCCN(C)C)c2ccc(C)nc2n(CC)c1=O 26377731 ODANRFCNCSFVLW-UHFFFAOYSA-N 360.458 2.265 0 1 FEAF O=C(O)c1ccccc1C(=O)Nc1ccc(Cn2cncc2CO)cc1 28761885 QZQAMPMECOLPEF-UHFFFAOYSA-N 351.362 2.374 0 1 FEAF CCOC(=O)N1CCN(C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 25462222 YMACKEAEDRGJSR-KSZLIROESA-N 366.502 2.130 0 1 FEAF CCC[C@H]1NC(=O)c2cccnc2-n2c1nc1ccc(OC)cc1c2=O 61921369 DLKCJVIIXBUQPU-OAHLLOKOSA-N 350.378 2.374 0 3 FEAF COC(=O)C[C@]1(CCN(C)C)OC(=O)c2c1ccc1ccc(OC)c(O)c21 13307415 IBXDTFMCUXUXPS-FQEVSTJZSA-N 373.405 2.435 0 1 FEAF biogenic CCc1nc(C(=O)N2CCC[C@@H]2C(=O)OCC(C)(C)N(C)C)cs1 82073517 LABSJKUXMTVWNU-CYBMUJFWSA-N 353.488 2.194 0 1 FEAF CCOc1ccc2c(c1)n1ncc(C(=O)Oc3cccs3)c1n[n+]2[O-] 43072343 UHYQMTSRUALFPM-UHFFFAOYSA-N 356.363 2.195 0 1 FEAF CC[C@H]1C[C@H](/C=C/CC(C(=O)OC)C(=O)OC)O[P@](=O)(OC)O1 198501230 HQPXMHFUGNZFHH-DTKLTXLASA-N 350.304 2.234 0 1 FEAF O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 95865666 RAYDGCHDHSNKNZ-UYAOXDASSA-N 368.477 2.155 0 1 FEAF CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)[C@@H]4C[C@@H]5OC(=O)C=C1[C@]5(C)[C@@H]2[C@@]43C 257604083 WKNPIBKVHHVICI-PHRTWUQYSA-N 360.406 2.029 0 1 FEAF endogenous,in-man CC(=O)N1c2ccccc2[C@]23CCN(C)C[C@@H]4[C@H](C)OC[C@H]([C@H]12)[C@H]4CC3=O 257417203 FMZMLKGLGADCPQ-QRANCCHPSA-N 368.477 2.235 0 1 FEAF Cc1nccc2[nH]c(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)nc12 587202172 GHJVZCXQHBLXQS-AWEZNQCLSA-N 354.366 2.188 0 1 FEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(Cl)c(Cl)cnc2[nH]1 587204920 UXGQMXXBPIUSIY-MRVPVSSYSA-N 358.229 2.344 0 1 FEAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 586937908 HDSCJZVVLIZDFM-NSHDSACASA-N 372.450 2.406 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586901890 IWYYLMMLXZLFNJ-PBHICJAKSA-N 357.435 2.382 0 1 FEAF CN1C(=O)C[C@@H]2CN[C@@H](c3cnc(N4CCOCC4)s3)c3cccc1c32 963034980 VZNRLBNEWJZGCX-KZULUSFZSA-N 370.478 2.122 0 1 FEAF CC1=C[C@]2(C(=C(C)C)CC1)c1[nH]cnc1C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 963220117 LLCXDICLRUZXGN-FIKGOQFSSA-N 366.465 2.439 0 1 FEAF Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(=N)nc[nH]n12 1772586143 NNYRPUKGCYQBTE-UHFFFAOYSA-N 374.330 2.327 0 1 FEAF CNc1nnc2n(-c3ccccc3)c(=O)c3cnn(-c4ccccc4)c3n12 1772631257 URXYPDWAEHCTGT-UHFFFAOYSA-N 357.377 2.261 0 1 FEAF N=C1NC(=N)N(Cc2cn(CCc3ccccc3)nn2)C2(CCCCC2)N1 1857537247 QHJKWSYIBLIXGZ-UHFFFAOYSA-N 366.473 2.046 0 1 FEAF COc1ccc2c(c1)CCN(CCCCc1cn(CCF)nn1)C[C@@H]2O 1857541049 ZRELGULTUGQTDD-IBGZPJMESA-N 362.449 2.171 0 1 FEAF C[C@H]1CCC[C@H](NC(=O)CSc2nnc(-c3cccnc3)n2N)[C@@H]1C 6901155 JTVXAKBJXWAESZ-SCRDCRAPSA-N 360.487 2.087 0 1 FEAF N[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 2356321585 CVOPGWSAYOOQTC-JJXSEGSLSA-N 367.371 2.022 0 1 FEAF C[C@H](C=C[C@H](CO)C(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C 2356495783 DPLUBJMWMWJWLE-XFCKVGQOSA-N 364.482 2.351 0 1 FEAF O=C(NC[C@@H]1COCc2nc3cc(F)ccc3n21)c1ccc2c(c1)OCO2 2356609399 YGLVHBHIPUTMRC-CYBMUJFWSA-N 369.352 2.405 0 1 FEAF O=CN1c2ccccc2[C@]23CCN4CCC[C@@]5(CC[C@@]12[C@@H](C(=O)O)C5)[C@@H]43 2356655123 YJKNDUBIWGQYFI-MKCNHSFFSA-N 352.434 2.392 0 1 FEAF Cc1nc(N)nc(-n2c(Nc3ccn(C(F)F)n3)nc3ccccc32)n1 71329156 BWVQDRRLGFHKGN-UHFFFAOYSA-N 357.328 2.436 0 1 FEAF Cc1oc2ccc3c(C)cc(=O)n(CC(=O)NCCN(C)C)c3c2c1C 45497412 WZWNFSJMQRCTBC-UHFFFAOYSA-N 355.438 2.351 0 1 FEAF COc1cccc(N2CCN([C@H](C(=O)O)c3ccc(OC)nc3)CC2)c1 95369111 RGZYWLYAOCALBP-SFHVURJKSA-N 357.410 2.047 0 1 FEAF COc1cccc2c1N(C=O)[C@@H]1CC[C@]3(CCO)CCCN4CC[C@@]21[C@@H]43 238731389 QFSOOKONVLMAOB-BVOGOJNSSA-N 356.466 2.309 0 1 FEAF Cc1cc2[nH]c(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)nc2c(C)n1 587203514 RADDIGGXTYJQPT-HNNXBMFYSA-N 368.393 2.497 0 1 FEAF COC(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2n1 587008837 PFMJFOAHZVEUHY-UHFFFAOYSA-N 373.170 2.217 0 1 FEAF O=C(O)c1nccc(-c2ccc(Cl)c(OCCN3CCOCC3)c2)n1 1772598354 QHTWZOXOXAUDIG-UHFFFAOYSA-N 363.801 2.206 0 1 FEAF O=C(NCC1(O)CCCCC1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 11879096 XYPWBVBFZJBJLA-INIZCTEOSA-N 362.445 2.376 0 3 FEAF COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccc(OC)cc1 13478444 MGQWXBZRKHHHKJ-AWEZNQCLSA-N 367.398 2.195 0 1 FEAF COC1=CC=CC[C@H]1[C@@H](CN(C)C)Nc1ncnc2c(C(N)=O)cccc12 167069706 OKFZWSPIHHWNPJ-XJKSGUPXSA-N 367.453 2.177 0 1 FEAF C[C@@H]1Cc2ccccc2N1C(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 6576679 FCWGUNZWNNQXGH-UMILVCPXSA-N 350.418 2.161 0 1 FEAF CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 101283963 JDRAQFXCNZIIPO-NRKNHTPJSA-N 357.406 2.101 0 1 FEAF Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(N1CCOCC1)CC2 28571066 XMYNASWBBIOCIR-CQSZACIVSA-N 363.458 2.091 0 1 FEAF CC[C@@H]1C(=O)O[C@H]1C1=C(Br)C(=CBr)OC1=O 2356307045 WLOLFHPXUWXMQJ-RNHFCUEFSA-N 351.978 2.380 0 1 FEAF COC(=O)[C@@H]1CC2=C(CN1Cc1ccc(OC)c3ccccc13)N(C)[CH]N2 2356317672 KJNBIBOIELBHTE-SFHVURJKSA-N 366.441 2.462 0 1 FEAF CC=C1CN(C=O)[C@H]2C[C@H]1[C@H](C(=O)OC)[C@]13CCO[C@@]21Nc1ccccc13 2356553092 NKMFTVSMLXLPDB-AKWRAEIISA-N 368.433 2.063 0 1 FEAF COC(=O)C1=CO[C@H](C)[C@@H]2[C@@H]1C[C@H]1c3[nH]c4ccccc4c3CCN1[C@@H]2O 2356581567 AUJVVPBGBOEYGD-XEKIBSOYSA-N 368.433 2.497 0 1 FEAF COc1ccc(/C=C/c2cc(OC)c3c(c2)OCO3)cc1P(=O)(O)O 27563686 NUYHYBMYPQHMOK-ONEGZZNKSA-N 364.290 2.406 0 1 FEAF O=C(NC1CCCCC1)N[C@@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@@H]21 2356859113 SRFFDAGXVOLJMD-NCXUSEDFSA-N 360.454 2.370 0 1 FEAF Cc1nn(Cc2ccc(F)cc2)c(=O)c2c(O)c3n(c12)[C@H](C)CN(C)C3=O 35950517 KGWWYQZYGFDJOF-SNVBAGLBSA-N 370.384 2.046 0 1 FEAF COc1cc(C[C@@H]2C(=O)O[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 14646983 BTXZSJTULWTSJG-CKFHNAJUSA-N 374.389 2.180 0 1 FEAF biogenic Cc1cc2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2c(C)n1 586955755 VPWFMZXDDGMFHH-UHFFFAOYSA-N 371.466 2.142 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@@]4(C(=O)O)CC[C@H]1C4(C)C)[C@@H](C2)C3=O 587451220 QLIRIYXYJGCWKZ-KBKBCIRWSA-N 356.374 2.271 0 1 FEAF COCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 587755958 CBYKNQSMPBDWEQ-CLAHSXSESA-N 355.211 2.407 0 1 FEAF CC(=O)N[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C1 5663124 QEHFAHSIVHFASZ-MGPQQGTHSA-N 371.478 2.462 0 1 FEAF O=C(O)c1cn(C2CC2)c2cc(N3C[C@H]4CC[C@@H]3CN4)c(F)cc2c1=O 13649289 JGNYZYABUWGSJV-ZYHUDNBSSA-N 357.385 2.114 0 1 FEAF CCOC(=O)CCCn1c(Cl)nc2cc(OC)c(OC)cc2c1=O 13800951 IOWJVVPQLPSBFZ-UHFFFAOYSA-N 354.790 2.410 0 1 FEAF O=S(=O)(c1ccc(F)cc1)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 169303808 PIONSLKGVXUVDT-XHSDSOJGSA-N 350.459 2.344 0 1 FEAF O=C(Nc1ccc(C(=O)N2CC3(CNC3)C2)cc1)N1Cc2ccccc2C1 166170629 NZUJWECFKPBMAP-UHFFFAOYSA-N 362.433 2.280 0 1 FEAF N[C@H]1CCN(c2ccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)nc2)C1=O 205254642 BRDMZVPHNWIUDO-HNNXBMFYSA-N 371.404 2.146 0 1 FEAF Cc1ncc([C@@H](CNC(=O)c2ccccc2Cl)N2CCOCC2)cn1 207613429 WMKAIQNXOYJSEB-QGZVFWFLSA-N 360.845 2.242 0 1 FEAF COCCCOc1ccc(Nc2nccc(N3CCN(C)CC3)n2)cc1 1857586337 GBAPACZFJXMMDY-UHFFFAOYSA-N 357.458 2.387 0 1 FEAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@H](CC(=O)O)C3=O)cc1 1541355 IEPGKKVDERKGDN-CQSZACIVSA-N 365.389 2.443 0 1 FEAF COc1c(O)ccc2c1[C@]13CCN(CC4CC4)[C@@H](C2)[C@]1(O)CCC(=O)C3 100720330 QOEVQPWLYUDAHW-IOMROCGXSA-N 357.450 2.163 0 1 FEAF Cc1ccc(-[n+]2noc(O)c2CN2CCN(C)[C@H](c3ccccc3)C2)cc1 103194414 IAFBWXVXYYFROG-IBGZPJMESA-O 365.457 2.454 0 1 FEAF COc1ccccc1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116822208 ZKKLOXINBQVYPJ-HOTGVXAUSA-N 352.438 2.310 0 1 FEAF CC(=O)O[C@@H]1[C@H](O)[C@](C)(O)[C@H](C=CC(=O)O)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356711220 OZESVNMBZAEFCX-XDBCBVBWSA-N 354.443 2.133 0 1 FEAF CCN(C)C(=O)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 74385281 CHUHPPLPSUMTOT-UHFFFAOYSA-N 362.817 2.284 0 3 FEAF Nc1nccc(Nc2cc(I)c3[nH]ncc3c2)n1 45335028 FOIYZNZAROTCFF-UHFFFAOYSA-N 352.139 2.283 0 1 FEAF CC[C@H]1CN(C(=O)NC2CCCCC2)CC[C@@H]1CC(=O)NCCN(C)C 25432872 KKDVLEITXHMZHM-DLBZAZTESA-N 366.550 2.445 0 1 FEAF biogenic CN(c1ccc(C(F)(F)F)nn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 149035518 GLRHYIMEWMAJLW-SNVBAGLBSA-N 363.347 2.482 0 1 FEAF CO[C@H]1Oc2cc(-c3ccc4c(c3)O[C@@H](OC)[C@@H]4CO)ccc2[C@H]1CO 85855686 YQAILVMGIKPPTL-SMOSDQRPSA-N 358.390 2.235 0 1 FEAF biogenic CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3ccc(F)nc3)cc2)CC1 653688502 BTRNASVIWCTTMA-MOPGFXCFSA-N 368.456 2.107 0 1 FEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc(C(=O)OC)cn1 587872684 RHFYMURJCSMGGG-UHFFFAOYSA-N 372.356 2.411 0 1 FEAF COc1ccccc1CC(=O)c1nc2c(S(=O)(=O)N(C)C)cccc2[nH]1 587929455 KBJWTRAKKWCERA-UHFFFAOYSA-N 373.434 2.247 0 1 FEAF O=C(Nc1nc(Cc2nc3cncnc3[nH]2)cs1)c1cccc(O)c1 587019034 DEZHOUAFFBTWIL-UHFFFAOYSA-N 352.379 2.358 0 1 FEAF NS(=O)(=O)c1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 587074956 CBVWMABHNOAAMV-UHFFFAOYSA-N 374.813 2.111 0 1 FEAF Cc1nn(C)cc1[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cccc(F)c21 962897455 CVSLKTTZQXSFLK-SWLSCSKDSA-N 357.307 2.272 0 1 FEAF C[C@@H](C(=O)Nc1ccc2ncccc2c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100616734 ZHASFGBZAOEVEP-MWRXHXJCSA-N 361.401 2.369 0 1 FEAF O=C1N[C@@H](C(=O)NCCO[N+](=O)[O-])[C@@H](c2cccc3ccccc23)S1 29327758 DXEYXBDSMGKKJY-ZIAGYGMSSA-N 361.379 2.030 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]23C[C@H]4[C@H](C[C@H](C)[C@@H]12)OC(=O)[C@@]4(C)O3 2356641365 NJCOYDCWMCJBNU-WVVWASAGSA-N 364.438 2.135 0 1 FEAF COc1cc([C@H](CC(=O)O)[C@@H]2N(C)C(C)=C(C)N2O)cc(OC)c1O 2356824463 GUXQJCWOBZLHLC-YVEFUNNKSA-N 352.387 2.182 0 1 FEAF CCCN1C(=O)[C@@H]2[C@@H](CCN2C(=O)C2CC2)N(Cc2cccs2)C1=O 4260470 PSQNQFODHWOWGF-CABCVRRESA-N 361.467 2.302 0 1 FEAF biogenic C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(CCO)n2)cc1 72118540 QBWTYVZNFJLATQ-MRXNPFEDSA-N 357.454 2.156 0 1 FEAF CNc1ccccc1C(=O)O[C@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]3(OCCCN31)[C@H]1[C@H]5[C@@H]4[C@H]12 253670953 DEVSVQLQYSWGQG-ALBSJHBUSA-N 364.445 2.401 0 1 FEAF CCc1ccc(NC(=O)CN2C(=O)N[C@@H]3[C@H](O[C@H]4CCCC[C@H]43)C2=O)cc1 618016322 FTMJBXBTXZVUGF-FZCLSBEQSA-N 371.437 2.066 0 1 FEAF CC1=C(C(=O)O)C(=O)[C@H]2c3cc4cccc(O)c4c(O)c3C(=O)C[C@@]2(O)C1 43207881 HZZQUBYOXIKCPW-UZLBHIALSA-N 368.341 2.026 0 1 FEAF biogenic C[C@@H]1O[C@@]1(C)C(=O)C[C@@H]1[C@@]2(C)[C@@H](O)CCC(C)(C)[C@]2(O)CC[C@@]1(C)O 473088641 IYXYEOGFUBDIEI-SXFTZYMTSA-N 354.487 2.202 0 1 FEAF Cc1cnc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2c1 586947284 VNHGPJDCYSNSIM-CQSZACIVSA-N 372.450 2.391 0 1 FEAF C[C@]1(c2ccc(N3C(=O)C=CC3=O)cc2)NCCc2nc3ccccn3c21 962982795 KPKZWFNCAPFQPI-OAQYLSRUSA-N 358.401 2.173 0 1 FEAF N=C(N)c1ccc(N2CCC3(CCN(CCCCC(=O)O)CC3)C2=O)cc1 13560381 KZIDYNCROBJJBT-UHFFFAOYSA-N 372.469 2.044 0 1 FEAF COCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1OC 169687590 GPJLDUGMSIJNTA-QZTJIDSGSA-N 367.401 2.293 0 1 FEAF Nc1ccc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)cc1F 1857564262 PAKQMEJSMLOPDC-UHFFFAOYSA-N 374.393 2.445 0 1 FEAF CN1C(=O)[C@@H]2C=C[C@H]([C@H](O)c3cccs3)N(Nc3ccccc3)[C@H]2C1=O 1857598131 HHGFBSIGSSWGQP-SRABZTEZSA-N 369.446 2.032 0 1 FEAF CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@H]2F 14191742 YQVRBZDSASHMKI-FKXGARDLSA-N 362.397 2.080 0 1 FEAF CCS(=O)(=O)c1nnc(NC(=O)c2cc(C)nc3ccccc23)s1 103294937 YDTGNUOHELOHKF-UHFFFAOYSA-N 362.436 2.441 0 1 FEAF CN1CCN(c2ncc3c(n2)CCN(Cc2ccccc2Cl)C3)CC1 21262246 LTNULQMIQZCMME-UHFFFAOYSA-N 357.889 2.440 0 1 FEAF CCCc1c(Sc2ccccc2)n(CSCCO)c(=O)[nH]c1=O 27098886 ZQTQDZXEXSBMTC-UHFFFAOYSA-N 352.481 2.323 0 1 FEAF CC(=O)Nc1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1 61924249 VUEAVUACOOVNMN-UHFFFAOYSA-N 366.377 2.404 0 3 FEAF COc1cc2c(c3occc13)C[C@@H]1OC(=O)[C@@]3(C)[C@@H]1[C@]21CC[C@@]3(O)OC1 2356678132 UNPXGINTSIBWLZ-XTDQBWQRSA-N 356.374 2.296 0 1 FEAF CCCCCCC1=NOC[C@@]1(C)C(=O)NCCCN1CCN(C)CC1 22462943 YCAGGIRZRVCOND-LJQANCHMSA-N 352.523 2.103 0 1 FEAF CCCNC(=O)[C@@]1(C)CCN(CCS(=O)(=O)c2ccc(C)cc2)C1 61928726 JICRRMKQNCPJKU-SFHVURJKSA-N 352.500 2.007 0 3 FEAF CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)[C@@H]3CCOC3)CC2)no1 71330093 ADIUSHICVCCMIJ-CYBMUJFWSA-N 364.446 2.075 0 1 FEAF COc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)c1 136770950 HIHVVYZXHODHBR-UHFFFAOYSA-N 368.481 2.422 0 1 FEAF CCOC(=O)CCc1nc2nc(N3C[C@@H](C)C[C@H](C)C3)ccc2[nH]c1=O 82232174 FUSVCEFMNOXPBM-STQMWFEESA-N 358.442 2.296 0 1 FEAF CC1(C)OC(=O)C(c2nc3cccc(I)c3[nH]2)=C1N 587255082 DVRWKVYHPBBLTR-UHFFFAOYSA-N 369.162 2.173 0 1 FEAF Cc1nn(C)cc1-c1[nH]c2c(C(=O)O)cccc2c1CN1CCOCC1 587638043 KATUCAWORLKLPC-UHFFFAOYSA-N 354.410 2.407 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 587232584 ZULJCDOJEDIITJ-WOSRLPQWSA-N 359.430 2.323 0 1 FEAF CCN(CC)S(=O)(=O)c1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2c1 586959354 NJAVEBFUQFLWKC-QHCPKHFHSA-N 369.512 2.252 0 1 FEAF Cc1cc2c(cc1O)[C@@](c1nc[nH]n1)(C1CCCCC1)N[C@H](C(=O)O)C2 963487073 BJRYCPLDQAMUFR-HNAYVOBHSA-N 356.426 2.242 0 1 FEAF CCn1cc(C(=O)C[C@]2(C(F)F)c3nn(C)cc3CCN2C)c(C)n1 963954197 HRHVFXIBAJPXRK-QGZVFWFLSA-N 351.401 2.166 0 1 FEAF Cn1cc(-c2cc3nccnc3c(NC[C@H]3CNCC(F)(F)C3)n2)cn1 204316525 QAPDXRHCCUUBNB-LLVKDONJSA-N 359.384 2.082 0 1 FEAF CC1=CN(c2ccc(S(N)(=O)=O)cc2)[C@@H](N2C=CN(C)C=C2)S1 1772605410 CLUBYPXOTKFJIC-OAHLLOKOSA-N 350.469 2.222 0 1 FEAF COc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2cccnc2)O3)nn1 12021036 VCCBICZEWXVUTN-INIZCTEOSA-N 362.389 2.281 0 1 FEAF CN(C)c1ncc(C(=O)N2C[C@H]3C[C@@H](Oc4ccccc4)C[C@H]3C2)cn1 1857612389 YXBLPMXRNWIBHQ-JLVBRIDZSA-N 352.438 2.472 0 1 FEAF CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758470 MDXJQYZJGAXSQA-HIFRSBDPSA-N 361.442 2.208 0 1 FEAF COCCNC(=O)c1onc(CSc2cccc(OC)c2)c1C(=O)O 8691400 VSWUGSXLOJRKHI-UHFFFAOYSA-N 366.395 2.050 0 3 FEAF CCCCSC1=N[C@@H](C(=O)OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 102997744 ONLDYYLFIUADOR-HZSPNIEDSA-N 360.435 2.279 0 1 FEAF CCn1nc(S(=O)(=O)c2ccccc2)c2cc(N3CCNCC3)ccc21 64447540 WWXQEIHDDCOFPN-UHFFFAOYSA-N 370.478 2.299 0 1 FEAF CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(F)cccc3nc2-1 26647480 NHQHKGQJBNBMSV-HXUWFJFHSA-N 366.348 2.219 0 1 FEAF COCCNC(=O)[C@@]1(C)CCCN(Cc2cc(-c3ccccc3)n(C)n2)C1 61906905 LMLSYKLDZHAEND-NRFANRHFSA-N 370.497 2.452 0 3 FEAF O=C(O)CNC(=O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 66165817 GICPFCJRNMHBHY-UHFFFAOYSA-N 355.194 2.415 0 1 FEAF CCCCN1C(=O)c2ccccc2[C@]1(O)c1ccc2c(c1)NC(=O)CO2 38267061 PDJBXTTYRLDGSW-HXUWFJFHSA-N 352.390 2.467 0 1 FEAF CCOC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)N1Cc2ccncc2C1 225010181 ZENDXEPJMGDZOR-INIZCTEOSA-N 358.442 2.365 0 1 FEAF Nc1cc(OCCOCCNc2ccnc3cc(Cl)ccc23)nc(N)n1 95598081 MPTBKUYIMLCIKZ-UHFFFAOYSA-N 374.832 2.350 0 1 FEAF C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@@]35OC[C@]4(C(=O)OC)[C@@H]1C[C@@H]25 238780047 HAGBWVNSVWLTKY-KAYJERQESA-N 366.461 2.314 0 1 FEAF CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 1772654638 DZHPBNOWWVPJAE-AWEZNQCLSA-N 360.797 2.064 0 1 FEAF CCOC(=O)C(=O)Cc1nc2ccccc2c(=O)n1-c1ccccc1C 5650481 BDABYNHWVILLQW-UHFFFAOYSA-N 350.374 2.369 0 1 FEAF Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3S2(=O)=O)cc1C 5721973 TYKMYTNMJZZHHO-MRXNPFEDSA-N 358.419 2.427 0 1 FEAF CNc1ccccc1C(=O)O[C@@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@]3(OCCCN13)[C@H]6[C@H]52 169290839 DEVSVQLQYSWGQG-WLJPBVSBSA-N 364.445 2.401 0 1 FEAF Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1nc(O)c2[nH]ccc2n1 1857583254 GWPJUGAZNOYWMZ-UHFFFAOYSA-N 374.404 2.356 0 1 FEAF Cc1cccc(S(=O)(=O)N2CC[C@@H](N(C)c3ncnc4[nH]ccc34)C2)c1 1857757601 RHVSKCYLQZJCFF-CQSZACIVSA-N 371.466 2.166 0 1 FEAF O=C(CN1CCN(Cc2ccccc2Cl)C1=O)NCc1ccccn1 4901340 HDTYEEIDPOEIGF-UHFFFAOYSA-N 358.829 2.289 0 3 FEAF COCCn1nnnc1[C@H](CC(C)C)N1CCN(c2ccccc2)CC1 59938782 WHDKLFODOGMKDK-SFHVURJKSA-N 358.490 2.229 0 3 FEAF CC1=NNC(=O)[C@@H]1C(c1ccc(Cl)cc1Cl)[C@H]1C(=O)NN=C1C 101958662 ILZDKBKYGIHZCG-RYUDHWBXSA-N 353.209 2.321 0 1 FEAF Nc1nc(N)c2c(Cl)c(S(=O)(=O)c3ccc(F)cc3)ccc2n1 59720597 WARFPZXBVMFRRW-UHFFFAOYSA-N 352.778 2.420 0 1 FEAF CN(C(=O)NCCCOc1ccc2[nH]c(=O)ccc2c1)[C@@H]1CCCC[C@H]1O 29247920 HGYVXKNHVMYIMQ-QZTJIDSGSA-N 373.453 2.242 0 1 FEAF CC(=O)OCC/C(SC(C)=O)=C(\C)N(C=O)Cc1ccc(C)nc1N 28976188 RSHQKFCWQQFXBZ-VBKFSLOCSA-N 365.455 2.395 0 1 FEAF O=C1O[C@@H](O)[C@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2 2356596611 OFNLHWUUBXCFIC-JLTOFOAXSA-N 368.341 2.262 0 1 FEAF O=C(O[C@@H]1CCN2C[C@H]3C[C@@H](C(=O)N4CCCC[C@H]34)[C@@H]2C1)c1cc[nH]c1 2356744616 UWHDHUKDMHBCOD-ZKXLYKBJSA-N 357.454 2.035 0 1 FEAF Nc1n[nH]c2c1[C@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 34891642 FDZAFCKLCZYXMJ-GXFFZTMASA-N 352.847 2.486 0 1 FEAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CN1CCCCCC1 2100549 FKZBLEDLBOMWSA-LJQANCHMSA-N 369.465 2.470 0 1 FEAF biogenic C[C@@H](NC(=O)c1ccccc1Nc1nc(Cl)nc(Cl)n1)C(=O)O 72123353 DUGNJAKXRAXNTI-ZCFIWIBFSA-N 356.169 2.125 0 1 FEAF Nc1ncnc2c(CN3C[C@H](O)[C@H](CSCc4ccccc4)C3)c[nH]c12 36143652 DIGGNILBPCEZIV-HOTGVXAUSA-N 369.494 2.266 0 1 FEAF O=c1cc(N2CCOCC2)nc2n(Cc3ccc(F)c(Cl)c3)ccn12 73312666 BVGKBKHOLCLQFL-UHFFFAOYSA-N 362.792 2.173 0 1 FEAF CCOC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1COc2ccccc2O1 84669471 FLVIWEMSLONIOJ-VQIMIIECSA-N 367.401 2.343 0 1 FEAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)OCCN(C)C)co1 82073448 FNEJHZQLOCXMII-QGZVFWFLSA-N 371.437 2.359 0 1 FEAF COc1ccccc1CNc1nc(N2CCC(C(N)=O)CC2)ncc1C 82203694 MEJLTZRZDSHTPJ-UHFFFAOYSA-N 355.442 2.107 0 1 FEAF CC(C)NC(=O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658983 WPQKDIZXTONQQE-UHFFFAOYSA-N 353.353 2.367 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1cccc(O[C@@H](C)C(N)=O)c1)[C@@H](C2)C3=O 587433329 QSISAEZDGRABFF-PYFOHURJSA-N 353.374 2.437 0 1 FEAF O=C(O)[C@@H]1Cc2cccc(F)c2C2(CCN(c3cccc(F)n3)CC2)N1 962912244 PBNLWPIZCZATTH-AWEZNQCLSA-N 359.376 2.454 0 1 FEAF Cc1cc(O)nc(-n2ncc(C(=O)NC3CCCC3)c2C(F)(F)F)n1 1857605825 ZBXPGLSARBBOEH-UHFFFAOYSA-N 355.320 2.368 0 1 FEAF C[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27728373 MHKAOBQJPBYYJQ-HXPMCKFVSA-N 353.422 2.227 0 1 FEAF CN[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)[C@@H]1C 27419421 ICEUMJPAMUZPEV-OQPBUACISA-N 363.364 2.109 0 1 FEAF COc1ccc(-c2cc(C(=O)N3CCC(N)CC3)nc(C)c2CN)cc1 66128753 MLETZXUZFPFJJP-UHFFFAOYSA-N 354.454 2.088 0 1 FEAF O=C(NC1CCCCC1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NCc1ccccc1 2356820309 FJJIPCHZPGCRMJ-NCXUSEDFSA-N 360.454 2.370 0 1 FEAF c1cc(-c2cnc(N3CCCC3)c(N3CCCNCC3)n2)c2cc[nH]c2n1 45365272 XQDLITNOVPCUMD-UHFFFAOYSA-N 363.469 2.420 0 1 FEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C[C@H]([C@@H](C)CO)[C@@H]1C[C@H]23 85504724 XHXATGWZFXQDLS-AXMCJZEVSA-N 354.450 2.129 0 1 FEAF biogenic,in-vitro Cn1nc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccccc1 40872675 YTGOQZGHNWFRQP-UHFFFAOYSA-N 363.443 2.239 0 1 FEAF COCCNC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCOC2 95561527 NZGMJUKSXBJUBW-UHFFFAOYSA-N 352.456 2.326 0 1 FEAF Cc1cc(Cl)ccc1-n1ncc(C(=O)NC[C@H]2COC(C)(C)O2)c1N 299850621 CGFAGEZHEVWRJI-LBPRGKRZSA-N 364.833 2.298 0 1 FEAF O=C(Cn1cc(Br)cn1)n1ncc2ccc(Cl)cc2c1=O 587651317 QJMDIELLADNOKM-UHFFFAOYSA-N 367.590 2.349 0 1 FEAF Cc1nc(COc2cccc(-c3nc4c(O)nc(N)nc4[nH]3)c2)cs1 587020329 NOGFYMZLLPEVIH-UHFFFAOYSA-N 354.395 2.652 0 1 FEAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O 587448936 NODSCTNIQNEAFN-LIRRHRJNSA-N 373.430 2.314 0 1 FEAF Cc1c(O)ccc2c1[C@@]1(N[C@H](C(=O)O)C2)c2ccoc2CC[C@H]1CC(=O)O 963525184 LPQSVVJOVKHVMI-SIFORAMQSA-N 371.389 2.173 0 1 FEAF COc1ccc(C[C@]2(C(=O)O)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963030347 NLKCDKZQRMVUHZ-QKKBWIMNSA-N 366.417 2.271 0 1 FEAF CN1CCN(c2ncc3c(n2)CCN(Cc2ccc(Cl)cc2)C3)CC1 15779374 GFJCCKYBJMKPIK-UHFFFAOYSA-N 357.889 2.440 0 1 FEAF O=C(Nc1ccc2c(c1)OCCO2)c1csc(=Nc2ccc(O)nc2)[nH]1 1857608603 ZKWVVCZWJWJAFA-UHFFFAOYSA-N 370.390 2.433 0 1 FEAF CC(=O)C(=O)N(c1ccccc1/C=C/C(N)=O)c1ccccc1C(=O)O 103222616 FUENBKOULKYZGM-ZHACJKMWSA-N 352.346 2.137 0 1 FEAF Cc1cc(C)n2nc(S(=O)(=O)Nc3c(F)ccc4cccnc34)nc2n1 103286436 MOYIMNJGRLRSSZ-UHFFFAOYSA-N 372.385 2.229 0 1 FEAF COc1ccc(/C(=C\c2cc(OC)c(OC)c(OC)c2)C(N)=O)cc1N 26823349 JEOMCJSXTYLHLA-NTUHNPAUSA-N 358.394 2.329 0 1 FEAF O=C(O)C[C@@H]1CCN(Cc2cnc[nH]2)C[C@H]1Cc1nc2ccccc2[nH]1 2356494001 OFSQPFVDPIYVIQ-UONOGXRCSA-N 353.426 2.442 0 1 FEAF CCC(=O)N1CCC[C@@](C)(C(=O)NS(=O)(=O)c2ccccc2Cl)C1 61907399 BFNUQLGMCFSCQO-MRXNPFEDSA-N 372.874 2.184 0 3 FEAF NC(=O)c1cnc(N)c2cc(-c3ccc(N4CCOCC4)cc3)sc12 73224651 DZFFBPVWOUUHPX-UHFFFAOYSA-N 354.435 2.481 0 1 FEAF CC(C)(O)c1nc(-c2cccc3[nH]ccc23)nc2c1OC[C@H]1COCCN21 218050119 GJFMOWCJOAOSCY-GFCCVEGCSA-N 366.421 2.450 0 1 FEAF CC(C)CN1C(=O)CSC[C@@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 199231486 ZBPKWGWROHCXGO-SFHVURJKSA-N 364.467 2.386 0 3 FEAF CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@H](C(C)C)N2 82206171 XIUDMWIQGDZZQI-OAHLLOKOSA-N 358.442 2.188 0 1 FEAF COc1ccc(-c2c(C(=O)c3ccccc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1 96921759 UQIFTCTVIBTWFH-UHFFFAOYSA-N 361.357 2.451 0 1 FEAF CS(=O)(=O)NCc1cc(-c2cc(F)cc(F)c2)nc(N2CCCC2)n1 299849433 ONLUCFGTLDMWAH-UHFFFAOYSA-N 368.409 2.071 0 1 FEAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cn1 587245222 QGYNOCOFTBRQQK-UHFFFAOYSA-N 373.438 2.257 0 1 FEAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 587938586 XSEPKDJTIBTURV-QFYYESIMSA-N 361.423 2.056 0 1 FEAF CCOC(=O)C(C(=O)OCC)[C@@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 587401243 URERFPKSRIAJAM-LJQANCHMSA-N 363.410 2.434 0 1 FEAF CCOC(=O)C[C@]1(CN2CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443966 NPWWAXAPXRQVEC-FOIQADDNSA-N 359.422 2.230 0 1 FEAF Cc1cc2c(cc1O)[C@@](C)(c1ccc(CC(=O)O)cc1)N[C@H](C(=O)O)C2 963555186 VEYFDFHCFKBSML-OXJNMPFZSA-N 355.390 2.190 0 1 FEAF C[C@@]1(O)[C@@H]2C[C@@H]3C[C@H](C2)C[C@@H]1[C@@]3(CC(=O)N1CC(O)C1)c1ccc(F)cc1 1772585918 GYOAVHNCAHIQFG-DQMBEPAOSA-N 373.468 2.474 0 1 FEAF COc1ccc(CCN2C[C@@H](C(=O)N3CCSCC3)CCC2=O)cc1 11956515 SAFLZORYIFOXHJ-INIZCTEOSA-N 362.495 2.052 0 3 FEAF COc1ccc(OC)c(Nc2cc(NC(=O)CCCC(=O)O)ncn2)c1 1857766035 OPMJZYMIFGATSR-UHFFFAOYSA-N 360.370 2.431 0 1 FEAF Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1ncn2Cc1ccccc1 1086410 SWMLWGQKOUFIAF-UHFFFAOYSA-N 360.417 2.188 0 3 FEAF C[C@@H]1CC[C@H]2C(=O)NC[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 7998486 CBJAXLVQLSPOSC-RABLLNBGSA-N 353.260 2.081 0 1 FEAF COc1cc2[nH]c(=S)nc(NCCCN3CCOCC3)c2cc1OC 20214739 DCOFBOAXPFACAG-UHFFFAOYSA-N 364.471 2.444 0 1 FEAF CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3ncccc3n2)cc1 103255562 ZLCCZODSXXODNP-UHFFFAOYSA-N 364.409 2.280 0 1 FEAF CC[C@H]1[C@H]2C[C@H]3[C@@H]4Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O 100198953 VAOXSMUPPRUEKF-YDFFIDQLSA-N 354.450 2.101 0 1 FEAF in-vitro CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)N(C)CCN(C)C)cn12 61906252 NBVPFAGPKATJKC-UHFFFAOYSA-N 373.501 2.429 0 3 FEAF COCCN1CC[C@@H]2CN(C(=O)NC3CCCCC3)CC[C@@H]2CC1=O 2356458219 HUXARUHYHXYGNS-HZPDHXFCSA-N 351.491 2.236 0 1 FEAF CC[C@H](C)[C@H](C(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1)n1cnnn1 2356765605 DEFVEYRTGZLBEO-KPZWWZAWSA-N 368.441 2.335 0 1 FEAF CC(C)(Cc1ccccc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 45352064 FERXJFSWPAYIGO-KRWDZBQOSA-N 356.422 2.367 0 1 FEAF CCc1nc(C(=O)N[C@@H](C(=O)NCCCN2CCCC2)C(C)C)cs1 82070181 JPVLBDKTSAWRDQ-MRXNPFEDSA-N 366.531 2.062 0 1 FEAF Cc1cccc(OCCNCCCCN2C(=O)[C@@H]3CCCN3C2=O)c1C 96933066 UZXMZIITIIZTCM-KRWDZBQOSA-N 359.470 2.479 0 1 FEAF COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O 95557827 VGNSQEJXQARLLC-UHFFFAOYSA-N 368.368 2.484 0 1 FEAF Nc1ncc(-c2ccc(C3(c4noc(-c5cncnc5)n4)CCC3)cn2)cn1 96175505 BHLKOXHYDKVFJI-UHFFFAOYSA-N 372.392 2.431 0 1 FEAF NC(=S)NC[C@H]1CN(c2ccc([C@@H]3CCCCC3=O)c(F)c2)C(=O)O1 653780741 CSFZVDVXBOTWBV-AAEUAGOBSA-N 365.430 2.211 0 1 FEAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(N)c(N)cc3[nH]2)cc1 586939615 PWSCETWEXBTBSM-SNVBAGLBSA-N 359.455 2.471 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CS(C)(=O)=O)N1 587849464 LVKCAIDAWYKWKN-OQPBUACISA-N 350.253 2.382 0 1 FEAF O=C(O)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)/C=C/c1ccccc1 13797866 GIKKFOVDJPQBSW-SXSDINLZSA-N 371.414 2.068 0 1 FEAF O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)CCC2 13833979 AGKRUDSWCIOZGR-VMFRVMOISA-N 360.385 2.100 0 1 FEAF CC(C)(O)[C@@H](O)Cc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O 14819509 ZTEAOMCBLMDBDX-INIZCTEOSA-N 372.373 2.251 0 1 FEAF biogenic,in-vitro O=C(NC[C@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774903 PVCWZGDWDUYWIH-NSHDSACASA-N 362.769 2.338 0 1 FEAF O=S(=O)(c1cccc(F)c1)n1cc2c3c(cccc31)N1CCNC[C@@H]1C2 118362048 FRDVOZMDNOYFJK-HNNXBMFYSA-N 371.437 2.352 0 1 FEAF COc1cccc(CCN2CC[C@H]3CN(C(C)=O)CC[C@H]3CC2=O)c1OC 15672735 JQOFGZMANZTQEF-ROUUACIJSA-N 374.481 2.353 0 1 FEAF biogenic CCC[C@@H]1C[C@@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40935722 PWEBRGHKELGZDJ-TZMCWYRMSA-N 352.822 2.437 0 1 FEAF Cc1ccccc1-c1nc(C(=O)NCC(=O)OCCCCN(C)C)co1 82072296 KOIPYYBQRVRXIV-UHFFFAOYSA-N 359.426 2.265 0 1 FEAF COc1cc(-c2nnc3n(C)c(=O)c4ccccc4n23)cc(OC)c1OC 653726477 ANEBNUZSWWMZDA-UHFFFAOYSA-N 366.377 2.274 0 1 FEAF CCOC(=O)C(=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798933 QCCDADOIDMEJQY-VXJOIVPMSA-N 358.207 2.470 0 1 FEAF COc1cc2c3c(c1)OC1(CCN(C4CCN(C)CC4)CC1)[C@@H](C2)C3=O 587435347 FPUKNQZKXFRAJT-KRWDZBQOSA-N 356.466 2.371 0 1 FEAF Cc1ccc2c(ccc3nc([C@@H](C)NS(=O)(=O)c4cnn(C)c4)[nH]c32)n1 586938013 IHXKSNUWMARKCE-LLVKDONJSA-N 370.438 2.193 0 1 FEAF CC(=O)SCc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O 587940713 KRROQNZRTCDBBQ-UHFFFAOYSA-N 359.201 2.119 0 1 FEAF O=C(O)[C@@H]1CC[C@@]2(CN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349901 WAGXQNPIDWDLLX-KNBMTAEXSA-N 371.364 2.466 0 1 FEAF CCCc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O 13755806 GRERSVRMXZWGJH-UHFFFAOYSA-N 354.431 2.366 0 1 FEAF COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NC[C@H]2CCCO2)cc1 1381063 MAUPNTYWFNJPFR-WBVHZDCISA-N 359.378 2.482 0 3 FEAF Cc1c(N2C[C@@H]3C[C@@]3(CN)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12 1911572872 YXPLJQOMUASLEV-RNODOKPDSA-N 356.445 2.028 0 1 FEAF O=C(N[C@@H]1[C@H](c2cccnc2)C[C@@H](O)[C@H]1O)c1cc2ccccc2s1 2356287934 SGBOHKMOXFTOJZ-MJSCVDMRSA-N 354.431 2.304 0 1 FEAF COCCn1nnnc1[C@@H](CC(C)C)N1CCN(c2ccccc2)CC1 59938783 WHDKLFODOGMKDK-GOSISDBHSA-N 358.490 2.229 0 3 FEAF OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)C[C@@H]2O 28762719 JKXQVOVVTTUXHT-QLQJRFMMSA-N 363.849 2.139 0 1 FEAF COc1ccc(/C=C2\N=c3ccn(Cc4ccccc4)c(=O)c3=C2O)cc1 103522772 FGEDLLXDFSAAJQ-UYRXBGFRSA-N 358.397 2.246 0 1 FEAF C[C@H](N)CNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1 62225204 RQZWXMOPEGDGAD-ZDUSSCGKSA-N 364.453 2.295 0 1 FEAF O=C1N[C@@H]2CCN(C(=O)c3cccs3)[C@@H]2C(=O)N1Cc1ccccc1 15708877 OHABJMQCOZMJOT-HIFRSBDPSA-N 355.419 2.083 0 1 FEAF biogenic C[C@@H](Cc1ccn(-c2ccc(O)cn2)n1)C(=O)Nc1ccccc1C(=O)O 49050603 AMULEMYYQGJZNA-LBPRGKRZSA-N 366.377 2.488 0 1 FEAF Cc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccco2)o1 82165802 WFDCTWTYVCFLLF-GFCCVEGCSA-N 353.382 2.402 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(CCO)CCO)cc1)O2 587387671 RMGLTHQXXDSVPC-IBGZPJMESA-N 356.422 2.075 0 1 FEAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(O)nc(O)nc3[nH]2)s1 587023984 YJTOKWWYCVVMAH-UHFFFAOYSA-N 350.360 2.235 0 1 FEAF O=S(=O)(CCc1nc2cnc(Cl)[nH]c-2n1)c1ccc2c(c1)CCC2 586920626 OEIHHEHLPLQGPT-UHFFFAOYSA-N 362.842 2.463 0 1 FEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 587226552 ZWEUUFLFKIBZIS-GTNSWQLSSA-N 353.382 2.370 0 1 FEAF O=C(c1ccc2nc(C3(F)CCCCC3)[nH]c2c1)N1CCN(CCO)CC1 587132260 OOCBHRNDLQDZBV-UHFFFAOYSA-N 374.460 2.442 0 1 FEAF COC(=O)[C@@H]1C[C@@]2(CCN1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587592813 HISUELYHRYQZHH-GQWAEJPESA-N 369.373 2.018 0 1 FEAF CCOC(=O)C1=NNc2cc(-c3ccccc3)nn2[C@@]1(O)C(F)(F)F 1772622701 SINGOZFWGHXAEG-AWEZNQCLSA-N 354.288 2.102 0 1 FEAF COC(=O)c1cc2sc(Cl)cc2n1CC(=O)NC[C@H]1CCCO1 5084940 JDSZLDDNALHLGM-SECBINFHSA-N 356.831 2.438 0 3 FEAF Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1C(=O)NS(C)(=O)=O 1857539762 JVDQDPPTLWDYGG-UHFFFAOYSA-N 362.238 2.485 0 1 FEAF CC(C)=C[C@@H]1O[C@@]2(C)C[C@@H]3O[C@@]4(O)[C@@H]2[C@]1(O3)[C@H](C)[C@@H]1CC[C@@H](C)[C@@]14O 2356473650 LZBPPKVLRFJPQW-VHEYMWPUSA-N 350.455 2.357 0 1 FEAF COc1ccc2c(c1)[n+]([O-])c(-c1ccc(Br)cc1)c(N)[n+]2[O-] 1616535 HZOJRMFUCFXRHH-UHFFFAOYSA-N 362.183 2.127 0 1 FEAF COc1ccccc1N1CCN(CCNC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 100724843 MKNWWWHCPYCIKA-KURKYZTESA-N 357.498 2.370 0 1 FEAF CC(C)CNC(=O)[C@@]1(C)CCCN1Cc1ccc(S(C)(=O)=O)cc1 61906404 CJKWVSRPBVEOFY-GOSISDBHSA-N 352.500 2.217 0 3 FEAF CC[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 45285444 YVRDWFLFNKQWHS-CQSZACIVSA-N 362.861 2.164 0 1 FEAF COc1cc([C@@H]2SCCC(=O)N2NC(=O)c2ccncc2)ccc1O 84633476 GTKREXUJDLLNJG-KRWDZBQOSA-N 359.407 2.105 0 1 FEAF Cc1ccc2c(n1)SCc1cnn(-c3ccc(S(N)(=O)=O)cc3)c1-2 95578669 BBYVQBNYXZIDGW-UHFFFAOYSA-N 358.448 2.496 0 1 FEAF in-vitro O=S(=O)(c1ccccc1)n1ccc2c(CN3CCNCC3)cccc21 95559540 URWFTQOKDRKKAY-UHFFFAOYSA-N 355.463 2.284 0 1 FEAF N=c1[nH]cc2nc(CCn3ncc4cc(Br)ccc43)nc-2[nH]1 587001010 BQFVTDVHEZISJI-UHFFFAOYSA-N 358.203 2.072 0 1 FEAF N[C@H](Cc1ccc(I)cc1)c1nc2ncc[nH]c-2n1 587186205 QPWPZBGQWDIYIB-SNVBAGLBSA-N 365.178 2.152 0 1 FEAF CCCS(=O)(=O)N1CCC(c2nc3ccc(C(=O)OC)cc3[nH]2)CC1 586951947 CQYJQSIHUCRCMT-UHFFFAOYSA-N 365.455 2.269 0 1 FEAF CN(Cc1nc2cccc(C(=O)O)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587171361 XAMKAUZTEQNHKL-UHFFFAOYSA-N 363.370 2.221 0 1 FEAF O=C(NC1COC1)c1cc2c(N3CCC[C@H]3c3ccccn3)ccnc2[nH]1 1772650679 JHSXSAMKAGPNIF-SFHVURJKSA-N 363.421 2.428 0 1 FEAF O=S(=O)(c1ccccc1F)n1cc2c3c(cccc31)N1CCNC[C@H]1C2 169351345 NJVMNGNTGSRRDT-CQSZACIVSA-N 371.437 2.352 0 1 FEAF CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1 164790511 NPJSWIVKPRSRLF-JTQLQIEISA-N 366.377 2.219 0 1 FEAF COC(=O)[C@@H]1CN(C(N)=O)C[C@H]1c1ccc(OC)c(OC2CCCC2)c1 3811202 IIBXETZKBWPFME-LSDHHAIUSA-N 362.426 2.284 0 1 FEAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCO 4152588 LKGAPAACVOHDSQ-RDJZCZTQSA-N 360.435 2.347 0 1 FEAF Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)s1 4928449 WAPZZFBFZCRDAB-XBFCOCLRSA-N 366.483 2.270 0 1 FEAF CN[C@H]1CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C[C@@H]1C 6520965 HTPFAXVZLDPCJG-QFYYESIMSA-N 373.428 2.367 0 1 FEAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2ccncc2F)CC[C@@]1(C)O 2356288905 MQNMLXBUFDBXMZ-XUVXKRRUSA-N 357.429 2.423 0 1 FEAF COc1ccc(C(=O)N2C[C@H]3CN(c4nccc(C)n4)C[C@@H]3C2)c(OC)c1 116823604 JQNCZQDUHOPZTH-GJZGRUSLSA-N 368.437 2.011 0 1 FEAF CC=C1CN2CC[C@@]34c5ccccc5N5C(=O)[C@H](OC)OC[C@H]([C@H]53)[C@H]1C[C@@H]24 2356720748 IMOHOYNAXXYHHX-FKNUBERRSA-N 366.461 2.313 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C 2356746478 YOQIGAVHLYFIAF-JFIAMWERSA-N 364.438 2.243 0 1 FEAF CC(C)C[C@H](CNC(=O)CCCN)Cc1ccc2c(c1C(=O)O)OCO2 95921001 RVKWMXPCIVFAJW-ZDUSSCGKSA-N 364.442 2.173 0 1 FEAF in-vitro O=C(O)CSC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccs1 473130110 JVFBAODSGLGAMN-AWEZNQCLSA-N 363.460 2.363 0 1 FEAF CN(Cc1nc2cnc3ccccc3c2[nH]1)S(=O)(=O)c1cccnc1 586928868 MRVPLOUNEXYNGE-UHFFFAOYSA-N 353.407 2.327 0 1 FEAF CC(C)Oc1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 586939900 TYZPQASJJQBXRP-LLVKDONJSA-N 363.443 2.123 0 1 FEAF CCO[C@H]1OC(C(N)=O)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO 13656492 LPMHBDFMIOJNJD-HKMRUAMVSA-N 373.405 2.027 0 3 FEAF CCCC(=O)OCSc1ccccc1C(=O)NCCCCC(N)=O 1857560594 VKKCFFNGZKDFIZ-UHFFFAOYSA-N 352.456 2.465 0 1 FEAF Cc1c(F)c(N2CCNCC2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 838102 ZTPAZQMBBUBRMX-UHFFFAOYSA-N 363.364 2.031 0 1 FEAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2c(c1)OCO2 2356318560 BAPCOLVFJMGORB-CGTJXYLNSA-N 373.497 2.197 0 1 FEAF Cc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1S(=O)(=O)N2C 3803506 IZKDGFYXABEDQN-UHFFFAOYSA-N 359.451 2.360 0 1 FEAF COc1cccc2cc(C(=O)NCc3ccc(F)cc3F)c(=O)n(O)c12 103253098 UCYUQAJXHYMUNX-UHFFFAOYSA-N 360.316 2.456 0 1 FEAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCC2CC2)nc1 28570546 OBCIFTVUBOXUAY-UHFFFAOYSA-N 361.345 2.478 0 1 FEAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)C(=O)CC[C@](C)([C@H]23)[C@@]12CC[C@@]1(COC(=O)C1)O2 2356544240 IKNNBDGBGVLCJD-ZTEUYFIQSA-N 362.422 2.178 0 1 FEAF C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@@H](C(=O)O)C[C@@]54[C@@]2(O)[C@@H]1CC[C@@]34CO 2356733215 FHEIQKLULLQNBD-WCOZYNNVSA-N 373.493 2.237 0 1 FEAF O=C1OCC(OCCN2CCOCC2)=C1c1ccc(Br)cc1 72173345 ZKOHTLOQHLPZOA-UHFFFAOYSA-N 368.227 2.066 0 1 FEAF COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43 70455568 ZTHVHELPCLGXHF-FPEBEEODSA-N 364.445 2.101 0 3 FEAF biogenic,in-vitro O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1ccccc1-2 220209016 HXFGGIYOVRZGFD-CQSZACIVSA-N 363.373 2.080 0 1 FEAF CO[C@@H]1CC[C@@H](c2ccc(C3=C[C@H](CNC(C)=O)OC3=O)cc2)CCC1=O 299807768 ILJHZGAHUBQWII-XAUMDUMWSA-N 371.433 2.373 0 1 FEAF N[C@H](Cc1ccc(I)cc1)c1nc2cncnc2[nH]1 587186604 ZAXATYODGKEYLQ-SNVBAGLBSA-N 365.178 2.200 0 1 FEAF CN(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)S(=O)(=O)c1cccnc1 586929460 VBSCEKRCYRPDCM-UHFFFAOYSA-N 372.237 2.480 0 1 FEAF COc1cncc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587203389 OWZXDPOREXUNGB-GFCCVEGCSA-N 370.365 2.409 0 1 FEAF COc1ccc(CNC(=O)Cn2ncc3c(=O)oc4ccccc4c32)cc1 5004656 QUBJLTSQWZCECA-UHFFFAOYSA-N 363.373 2.468 0 1 FEAF O=C1C[C@@H](C(=O)O)Nc2cc(I)cc(Cl)c21 13455135 BNRJVYMKBLRQQJ-ZETCQYMHSA-N 351.527 2.396 0 1 FEAF OC[C@H](O)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 169343330 VVILQRRLFOWWBX-HNNXBMFYSA-N 354.797 2.297 0 1 FEAF O=c1n(CN2CCN(c3cccc4ccccc34)CC2)c(O)c2n1CCC2 169717626 CSBSCAAPWUYQOY-UHFFFAOYSA-N 364.449 2.235 0 1 FEAF CC(C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O 1911571197 WFJCANJUBLWLIS-UHFFFAOYSA-N 355.486 2.268 0 1 FEAF CNC[C@](O)(CCCCCCCCC[C@@H]1CC[C@@H](O)[C@@H](C)N1)CC(=O)O 2356292598 HZHMEFKKPTWIAR-MLYOOKFZSA-N 372.550 2.424 0 1 FEAF N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(O)cc1)=C(O)O 100388591 BGRHKFBIXDCYKR-MRXNPFEDSA-N 367.405 2.387 0 1 FEAF endogenous,in-vitro O=C(O)C[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc(C(F)(F)F)cc1 29407151 MVKULQRBNOLNKM-QMMMGPOBSA-N 372.221 2.166 0 1 FEAF COc1cc(C[C@H](C)[C@H](C)C[C@]2([C@@H](O)C(C)=O)C=CC(=O)O2)ccc1O 2356588125 JGRCQBGEMXBGIJ-RNWGTBAESA-N 362.422 2.407 0 1 FEAF CCC1=CN2CC[C@]34c5ccccc5-n5c3c(cc(C(N)=O)c5=O)[C@H]1C[C@@H]24 2356607729 PAVSKUFNJDSZBQ-PFDOBSCMSA-N 359.429 2.405 0 1 FEAF COc1cc(O)c2c(c1)OC[C@]1(Cc3c1cc(OC)c(OC)c3O)C2=O 211223541 JWPTZLDMDIRBAI-IBGZPJMESA-N 358.346 2.193 0 1 FEAF COCCCNC(=O)c1cnc(NCCCOC)nc1-c1ccccc1 82132232 WYFWHMWXIOTTTR-UHFFFAOYSA-N 358.442 2.358 0 1 FEAF C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccsc3)c(=O)n21 82211005 KAUNDQWLGMRFQR-LLVKDONJSA-N 358.423 2.311 0 1 FEAF CC1=C(CCC2=CC(=O)OC2)[C@@]2(C)C[C@@H](O)C[C@](C)(CO)[C@@H]2[C@@H](O)C1 238738987 RTLIZBZNDDICQI-WRYWSJOASA-N 350.455 2.107 0 1 FEAF C[C@@]12OC[C@H]3O[C@]4(O)[C@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]4(CO1)[C@H]32 238732207 CJESTWPBFVQPRY-UJGXVNFHSA-N 362.466 2.360 0 1 FEAF CO[C@H]1Oc2cc(-c3ccc4c(c3)O[C@@H](OC)[C@@H]4CO)ccc2[C@@H]1CO 34443400 YQAILVMGIKPPTL-NFQUHZNNSA-N 358.390 2.235 0 1 FEAF biogenic CCOC(=O)C[C@]1(c2cc(C)nn2C)CC(=O)c2cc(C)cc(N)c2O1 587392191 RPNVXOIAQORDJY-IBGZPJMESA-N 357.410 2.433 0 1 FEAF C[C@]1(c2ccc(N3CCNC3=O)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962903185 WBTBYQPMBPFXLG-OXJNMPFZSA-N 369.396 2.218 0 1 FEAF O=C1C[C@H](c2ccco2)[C@H](n2cncn2)[C@@]2(C1)NCCc1ccc(O)cc12 963339706 AUOKPIRBAXKNJP-UXPWSPDFSA-N 364.405 2.306 0 1 FEAF CN(C)S(=O)(=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1 13730051 ZSAYIPHNUQGDHK-UHFFFAOYSA-N 352.500 2.438 0 1 FEAF Cc1cc(-c2cc([C@@H]3CCCNC3)n3ncnc(N)c23)cc(F)c1CO 206419724 YXBKQVQHUYJBEU-GFCCVEGCSA-N 355.417 2.385 0 1 FEAF CCCCC(=O)N1CCC2(CC1)NC(=N)NC(=N)N2c1cccc(OC)c1 1857633294 FZYFIMGTDKZCRU-UHFFFAOYSA-N 372.473 2.073 0 1 FEAF COc1nc(F)c(F)[nH]c1=NS(=O)(=O)c1cccc(Cl)c1Cl 1857635818 DIZPSQNBTJEHIM-UHFFFAOYSA-N 370.164 2.293 0 1 FEAF COC(=O)[C@H]1CC2=C(CN1Cc1ccc(OC)c3ccccc13)N(C)[CH]N2 2356317671 KJNBIBOIELBHTE-GOSISDBHSA-N 366.441 2.462 0 1 FEAF COc1ccc(C[C@H](NC=O)C(=O)Cc2ccc(OC)c(OC)c2)cc1 2356323524 BZHZHBJDEXREKK-KRWDZBQOSA-N 357.406 2.181 0 1 FEAF COc1ccc2c(c1)CCc1c(C(=O)NCCCn3ccnc3)noc1-2 2466020 XCFRVASMUIEGJM-UHFFFAOYSA-N 352.394 2.465 0 3 FEAF COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(C)cc1 103248251 XKGPGGYWUABPQI-UHFFFAOYSA-N 371.418 2.282 0 1 FEAF O=C(O)[C@H]1CCCN(Cc2ccc(CN3CCC[C@@H](C(=O)O)C3)cc2)C1 29489911 HMWWUPSOQXQIIP-HDICACEKSA-N 360.454 2.280 0 1 FEAF CC=C(C)[C@H](O)[C@H](C)C=C[C@H](O)[C@H](C)[C@@H](O)C[C@@H]1CC(O)=CC(=O)O1 2356472648 DPLVZZAZGYXULT-RNHYEYQZSA-N 354.443 2.011 0 1 FEAF N[C@H]1N=CNc2c(CN3C[C@H](CSc4ccccc4)[C@@H](O)C3)c[nH]c21 36143638 XVSWVJFTPOVCJR-XUWXXGDYSA-N 357.483 2.011 0 1 FEAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C#N)nc12 139338060 JUXFIJBURSYEMS-UHFFFAOYSA-N 362.372 2.394 0 1 FEAF CC[C@@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)NCCN(C)C 25432874 KKDVLEITXHMZHM-SJORKVTESA-N 366.550 2.445 0 1 FEAF biogenic COc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1 95584839 GCYRBQURLBDYIJ-UHFFFAOYSA-N 359.401 2.304 0 1 FEAF Cc1cccc(C(=O)Nc2cccn3c(=O)cc(N4CCOCC4)nc23)c1 473129075 FLPNXXVOABZJDM-UHFFFAOYSA-N 364.405 2.092 0 1 FEAF CC(C)OC(=O)C1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC(F)(F)C1 587131891 WFGRMQFPMNOSPA-UHFFFAOYSA-N 374.365 2.428 0 1 FEAF O=C(O)CC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603565 NODHVXAVFDRQEL-RDTXWAMCSA-N 358.302 2.042 0 1 FEAF COc1cncc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 587193181 CZELZWNYLPRNNY-UHFFFAOYSA-N 354.410 2.486 0 1 FEAF Cc1ccc(C(=O)N/C(=C/c2ccccc2F)C(=O)N2CCNCC2)cc1 727393 GOPFZXBBMYCLAQ-XMHGGMMESA-N 367.424 2.337 0 1 FEAF COC[C@H](O)CN1CCC(=O)N(Cc2ccccc2)Cc2ccccc21 205153035 ZELOUHZNXXBSPG-LJQANCHMSA-N 354.450 2.433 0 1 FEAF COc1cc2ncnc(N3CCC(CCNC(C)=O)CC3)c2cc1OC 1857629553 XGRBGLXSZVMTMF-UHFFFAOYSA-N 358.442 2.390 0 1 FEAF COc1cc(Cc2cnc(N)c(Br)c2N)cc(OC)c1O 27307272 PYKWOKCUYAOUQN-UHFFFAOYSA-N 354.204 2.322 0 1 FEAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(NC(C)=O)cc1 2356449167 DHKTYUHDGYDOMF-HLLBOEOZSA-N 365.499 2.044 0 1 FEAF CCCCN(C)CCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C 2465464 XUHIOKLRDDOVLB-UHFFFAOYSA-N 368.481 2.492 0 3 FEAF C[C@H]1CN(C(=O)[C@H](C)N2CCN(c3cccc(Cl)c3)CC2)C[C@H](C)O1 102335396 SBBJIOXCFKOSDL-JYJNAYRXSA-N 365.905 2.486 0 1 FEAF O=C(NCc1ccncc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 100013302 SFLCMYLXCSMMGT-UHFFFAOYSA-N 372.384 2.416 0 1 FEAF O=c1c(Cc2c(O)oc3cc(O)ccc3c2=O)c(O)oc2cc(O)ccc12 100788520 OMERDYXUETUPTQ-UHFFFAOYSA-N 368.297 2.313 0 1 FEAF O=C(O)c1cc2n(n1)[C@H](C(=O)O)Nc1cc(Cl)c(-n3ccnc3)cc1-2 27326270 SEAKCYNFQSTCLA-CYBMUJFWSA-N 359.729 2.096 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@]4(CCN(C)C4)C3)cc21 26378305 WHHMXFCYBZBEHH-HXUWFJFHSA-N 373.428 2.391 0 1 FEAF Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 102245182 ROIWDFYDDLDZKE-BURFUSLBSA-N 372.465 2.209 0 1 FEAF COCCNC(=O)[C@@]1(C)Cc2c(-c3ccc(N(C)C)cc3)ccnc2O1 61926399 AQDXJZVHCQMATO-HXUWFJFHSA-N 355.438 2.271 0 3 FEAF CS[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@](C)(SC)N(C)C1=O 2356721721 MUVHKGMQAIWHRP-IRXDYDNUSA-N 363.508 2.437 0 1 FEAF COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@H]2NC(C)=O 2356819241 FAKHGLDEZGNTPR-JSJNYSNDSA-N 368.518 2.001 0 1 FEAF Cn1nc([C@H]2CCNC2)c2c(C(=O)NCC(F)(F)F)cc(C3CC3)nc21 71995172 LVSZTEVWCPKUBP-JTQLQIEISA-N 367.375 2.215 0 1 FEAF O=C1NC(=O)c2ccccc2/C1=C/Nc1ccc(CN2CCOCC2)cc1 40410412 QGTKPCJRCUCQMA-UYRXBGFRSA-N 363.417 2.242 0 1 FEAF CCCc1c(O)ccc2c1OC(C(=O)OCC)(C(=O)OCC)CC2=O 587481338 LDFBSBNBPFKWJM-UHFFFAOYSA-N 350.367 2.175 0 1 FEAF Cc1cnc2[nH]c(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)nc2c1 587204430 YOKQAIHXVLFTOD-AWEZNQCLSA-N 354.366 2.188 0 1 FEAF COc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)n1 587747654 RAQSNAAGNGQOKZ-UHLUBPPHSA-N 367.222 2.593 0 1 FEAF Cc1cc2[nH]c(CNC(=O)CNC(=O)OCc3ccccc3)nc2c(C)n1 587227741 UWDNTGNLSGMUND-UHFFFAOYSA-N 367.409 2.117 0 1 FEAF O=C(O)CNS(=O)(=O)c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587216651 IOTBQRWIXXIKOZ-UHFFFAOYSA-N 368.414 2.363 0 1 FEAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H]4C[C@@H]3CN4)cc21 5834284 RYQSZLBAAXBMHA-GHMZBOCLSA-N 359.401 2.144 0 1 FEAF COc1ccc(CCN(C)Cc2nc(-c3cnccn3)no2)cc1OC 13596475 GQWHRACFDOUOBA-UHFFFAOYSA-N 355.398 2.218 0 3 FEAF CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)cc1 15944065 SSDWFZLSXNCPQA-CQSZACIVSA-N 362.455 2.012 0 3 FEAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@@H]4CCOC4)c(=O)n1c23 1857620862 VGDSRFGNVGDCAL-MNOVXSKESA-N 360.385 2.120 0 1 FEAF CC(C)N(CCO)c1ccc2[nH]c(=O)c(Cc3ccc(F)cc3)nc2n1 766733 GYLYPEJARZGSES-UHFFFAOYSA-N 356.401 2.255 0 1 FEAF Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1onc(C)c1C(=O)O 2356302252 PVSWXUYELYEVTG-NSHDSACASA-N 355.354 2.061 0 1 FEAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@H]([C@@H](O)CCCCCC[C@H](O)CC(=O)O)CCN21 2356311375 KUWUFIMFEHTJGO-KSCVBYKOSA-N 371.518 2.147 0 1 FEAF CN(C)C(=O)c1ccc(-c2ccc3ncnc(N4CCNCC4)c3c2)cc1 4266802 GGTGQTBEFOGNNT-UHFFFAOYSA-N 361.449 2.408 0 1 FEAF O=C(Nc1ccccc1)N1CCN2C(=O)N(Cc3cccnc3)C[C@@H]2C1 2356298078 SCFBJCLNINZKLB-KRWDZBQOSA-N 351.410 2.236 0 1 FEAF O=C1N=c2cc3ccccc3cc2=N/C1=C1\N=NNN1Cc1ccccc1 100608771 BBQJOKRMROZPPG-VHEBQXMUSA-N 354.373 2.176 0 3 FEAF CC(C)[C@@H](N)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O 27733175 RKSYQYJUGAQEGE-RTBURBONSA-N 370.449 2.361 0 1 FEAF CN1C[C@@H](CCN2CCC2)Oc2ncc(Br)cc2C1=S 26280080 OUUWKFPTRJZFML-LLVKDONJSA-N 356.289 2.308 0 1 FEAF CCNc1cc(OC)c(C(=O)N[C@H]2CN(C)CCN(CC)C2)cc1Cl 27703612 ZXIGYXVBZYGZFG-ZDUSSCGKSA-N 368.909 2.146 0 1 FEAF NC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccccc2)O3)c1 61902292 NRHCDOUVUTVQGN-LJQANCHMSA-N 373.412 2.467 0 3 FEAF CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc(Cl)c(Cl)c1 28476614 SVYAEPYBDPIXIA-UHFFFAOYSA-N 360.245 2.375 0 1 FEAF CS[C@@]1(C)C(=O)N[C@](Cc2c[nH]c3ccccc23)(SC)C(=O)N1C 2356721719 MUVHKGMQAIWHRP-DLBZAZTESA-N 363.508 2.437 0 1 FEAF Cc1ccccc1O[C@@H]1CN[C@@H](C(=O)N2CCCN(C3CCC3)CC2)C1 49089555 TVZNTCGLIHZEPH-RBUKOAKNSA-N 357.498 2.191 0 1 FEAF COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F 95894331 IAAUQCZXORERDR-QKNQBKEWSA-N 370.424 2.148 0 1 FEAF COc1ccc([C@]2(CO)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963232038 SQWZXPFICZGOMY-FPOVZHCZSA-N 364.401 2.078 0 1 FEAF Cc1c(CC(N)=O)c2cc(OCC(=O)O)ccc2n1Cc1ccccc1 13445828 FVSTWCYTIRQVBT-UHFFFAOYSA-N 352.390 2.489 0 1 FEAF CS(=O)(=O)c1c(-c2[nH]c(=O)[nH]c2O)cc(Cl)cc1C(F)(F)F 169712830 ZMJDNAPSWWLYEG-UHFFFAOYSA-N 356.709 2.151 0 1 FEAF O=c1scc(O)n1CCCCN1CCN(c2noc3ccccc23)CC1 169712922 FOKHXYSYKGPXLT-UHFFFAOYSA-N 374.466 2.359 0 1 FEAF Cc1ccc(S(=O)(=O)N2C(=O)NC(=O)[C@]23CCCc2ccccc23)cc1 1857572856 YGRGZNKVCGIGFG-LJQANCHMSA-N 370.430 2.467 0 1 FEAF CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O 101650934 UYQJZKVDHPVDOB-UHFFFAOYSA-N 355.369 2.119 0 1 FEAF COc1ccccc1OC[C@@H](O)CNC(=O)Oc1ccc(NC(C)=O)cc1 27323335 QHXRSRWZDNLOGQ-HNNXBMFYSA-N 374.393 2.182 0 1 FEAF NC(=O)c1cccc2[nH]c(-c3cccc(NCCN4CCCC4)n3)nc12 63540131 MEEDWVBLFZVSIA-UHFFFAOYSA-N 350.426 2.232 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@]4(CCN(C)C4)C3)cc21 26378308 WHHMXFCYBZBEHH-FQEVSTJZSA-N 373.428 2.391 0 1 FEAF COCCN1C(=O)[C@H]2C[C@@H](CN2C(=O)c2ccccc2)Oc2ccccc21 2356594884 KOAKKHBCYDAKQW-FUHWJXTLSA-N 366.417 2.342 0 1 FEAF COc1ccc([C@@H](O)[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1 66263995 PCTUPZPAYKOORH-ZOCIIQOWSA-N 356.374 2.489 0 1 FEAF Cc1ncn2c1Cn1ncnc1-c1cc(I)ccc1-2 49563424 HFRRPIOHPBZYIO-UHFFFAOYSA-N 363.162 2.406 0 1 FEAF COC[C@@H](C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)nc2C)c1=O 49037616 LAAWBFWBHQSUQH-HNNXBMFYSA-N 359.430 2.308 0 1 FEAF Nc1ccccc1CNC(=O)CNC(=O)c1coc(-c2cccs2)n1 82084793 NSTAJXBJUALTFF-UHFFFAOYSA-N 356.407 2.032 0 1 FEAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(-c3ccc(Cl)cc3)cn12 96269912 KJDMOEPAJHJNBM-ZDUSSCGKSA-N 370.844 2.313 0 1 FEAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2ncc(C3=CCCC3)cc2C1=O 95711584 VZKDZVNXGYLRRI-VCBZYWHSSA-N 373.497 2.431 0 1 FEAF O=C(N[C@@H](Cc1ccccn1)C1CC(O)C1)c1scc2c1OCCO2 230584503 VCCUWIUXYQELSO-UBHUBRDASA-N 360.435 2.026 0 1 FEAF CCCOc1ccc2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2c1 98207955 HDLCJAZFKRTKGX-UHFFFAOYSA-N 353.382 2.404 0 1 FEAF in-vitro Cc1cccc(C(=O)N2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)n1 299841820 RMKNTRNKBLVOHA-QRVBRYPASA-N 353.422 2.374 0 1 FEAF Cc1c(N)cc(-c2csc(=O)[nH]2)cc1S(=O)(=O)NC1CCCC1 299856022 BMXFOLOGRGMELZ-UHFFFAOYSA-N 353.469 2.215 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)C=C2C(N)=O)N1 587775127 QUWGWLONKFGVPJ-XXFAHNHDSA-N 366.234 2.146 0 1 FEAF CCNC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(Br)c1 169317268 NSASATJGQKYKFR-GFCCVEGCSA-N 374.279 2.328 0 1 FEAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)nc(CO)c12 1772593578 SDGFCKHWIGGEOX-SECBINFHSA-N 359.361 2.481 0 1 FEAF CC(C)Oc1ccc([C@H](CC(=O)O)NC(=O)CSc2ncn[nH]2)cc1 5067607 INDNSVSRFMERPS-ZDUSSCGKSA-N 364.427 2.016 0 3 FEAF COC1=C[C@H](OC)CC(Nc2nccc(-c3cnn4ncccc34)n2)=C1 14945970 GWHGOOOITBDPQU-CQSZACIVSA-N 350.382 2.431 0 1 FEAF O=C1Nc2cccc(C3CCNCC3)c2/C1=C/c1[nH]cc2c1CCNC2=O 18099248 ORMCURCBAUGAQD-GDNBJRDFSA-N 362.433 2.260 0 1 FEAF Cc1cc(C)n2nc(CCc3cc(O)n4nc5ccccc5c4n3)nc2n1 1857568882 XLDHVTAGYSWHEX-UHFFFAOYSA-N 359.393 2.428 0 1 FEAF CC1(C)CC(=O)c2cc(OCC(=O)NCCCN3CCCC3)ccc2O1 2464930 JNNAXZRMMAZXJS-UHFFFAOYSA-N 360.454 2.411 0 1 FEAF COc1ccc2c(c1)nc1n2[C@H](CNC(=O)COc2ccccc2)COC1 2356335475 APKXPDZNFYHFRD-CQSZACIVSA-N 367.405 2.311 0 1 FEAF Nc1nc2c(s1)C[C@@H](CNC(=O)c1cc(Br)c[nH]1)CC2 103278156 MYQPPJPFDPDLOC-ZETCQYMHSA-N 355.261 2.351 0 1 FEAF CNCc1cn(C2CCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)nn1 23146020 AULVLANGKIFHOR-UHFFFAOYSA-N 357.487 2.286 0 1 FEAF Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cccc(c23)N[C@H]1c1ccc(F)cc1 117890449 VGCYLQAHCSEGLE-CVEARBPZSA-N 362.368 2.489 0 1 FEAF CCC1=C(O)CC(O)=C([C@H]2NN[C@@H](C)[C@@H]2[C@@H]2N[C@@H]3CCCC[C@@H]3N2C)C1 102885271 HUFRUXGBKDWBPS-ZIUOMUFMSA-N 362.518 2.468 0 1 FEAF C[C@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)C(=O)NCc1ccccc1 26743523 YRNXLUBDUKQGOD-TZIYXEQSSA-N 352.390 2.219 0 1 FEAF C[C@H]1[C@@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1Cl 28227293 FGAPXYWEQVSGDJ-MADCSZMMSA-N 365.792 2.363 0 1 FEAF COc1cc(C[C@@H]2COC(=O)[C@@H]2C(=O)c2ccc(O)c(OC)c2)ccc1O 2356438502 IHQUAAXBXPJDEX-ACJLOTCBSA-N 372.373 2.330 0 1 FEAF CC[C@]12C=CCN3CC[C@]4(c5ccccc5N(C)[C@@H]4[C@](O)(C(=O)OC)C1)[C@@H]32 2356495541 VCANAWRETHJMLW-FQFSJJOFSA-N 368.477 2.091 0 1 FEAF Cc1cnc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)s1 28090810 OBRXEHBNQXENBK-UHFFFAOYSA-N 357.438 2.012 0 1 FEAF O=S1(=O)C=C(c2cccc(OC(F)(F)F)c2)S(=O)(=O)CCC1 136165672 OLXNBORTDITPJN-UHFFFAOYSA-N 356.343 2.117 0 1 FEAF CC[C@@H]1C[C@@H]2N3C[C@H]1C[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1C(=O)[C@H]3O 238748250 XTVZKOJPJUPJGR-YZHOFMIRSA-N 368.433 2.214 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@H]1CC[C@@]13COC(=O)[C@@H]1C=C[C@@H](O)[C@@H]32 96933111 MYHFDQGUNLKIHV-ODESWZHGSA-N 358.390 2.390 0 1 FEAF N[C@@H]1NC=Nc2c(CN3C[C@@H](O)[C@H](CSC4CCCCC4)C3)c[nH]c21 261135796 LZLVASUZAHQVLG-JCKWVBRZSA-N 363.531 2.094 0 1 FEAF CS(=O)(=O)c1ccc(-c2cc(=O)n3ncc(-c4ccccn4)c3[nH]2)cc1 653662285 RVEIKULEOUSZFD-UHFFFAOYSA-N 366.402 2.155 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c12 587148947 BWOAVKWHXUFQTM-AWEZNQCLSA-N 366.393 2.140 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cnn(C)c2)N1 587764147 OMLZIITVJPILKK-VXJOIVPMSA-N 368.206 2.184 0 1 FEAF CC(C)[C@H](C(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 15956084 NWWVCEJQYCCAIN-KUHUBIRLSA-N 355.394 2.313 0 1 FEAF biogenic O=C(O)[C@]1(O)C=C(c2cccc(Sc3ccccc3)c2)[C@@H](O)[C@H](O)C1 16051897 QMNMNSINKIFYBV-LMMKCTJWSA-N 358.415 2.162 0 1 FEAF in-vivo CCCN[P@](=O)(Oc1ccc(S(N)(=O)=O)cc1)c1ccccc1 1857574672 XBRYFYVWFPOYAA-JOCHJYFZSA-N 354.368 2.231 0 1 FEAF Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccc(Cl)cc3)ncc1CC2 1857656439 AGPQNNSQYCHUHR-UHFFFAOYSA-N 354.801 2.472 0 1 FEAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](CC(=O)O)CO3)cc1 1485192 FFYHCEWZIRARDA-NSHDSACASA-N 353.378 2.249 0 1 FEAF CCCNC(=S)SC[C@](O)(Cn1cncn1)c1ccc(F)cc1F 103264654 RZWPJAAFPZBXOO-OAHLLOKOSA-N 372.466 2.462 0 1 FEAF CCCCNC(=O)Cn1ccc2c(O[C@@H](C)C(=O)OCC)cccc2c1=O 29048854 JDAFVJFJOSXNSI-AWEZNQCLSA-N 374.437 2.248 0 1 FEAF Nc1nn(CCO)c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12 28565407 QDJYBXSEKNYKGS-UHFFFAOYSA-N 371.404 2.383 0 1 FEAF CC(=O)NC[C@H]1CN(c2ccc(-n3cc4cncnc4c3)c(F)c2)C(=O)O1 27413689 UWDWNSJMCVCYJN-AWEZNQCLSA-N 369.356 2.021 0 1 FEAF CCOCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCOCC1 29567616 RCGBNOHDMWFYHA-HNNXBMFYSA-N 367.442 2.127 0 1 FEAF CC(C)[C@]1(O)CC[C@@H]2C(=C[C@H](O)[C@@H]3[C@](C)(C(=O)O)CCC[C@]23C)[C@H]1O 2356521961 SECUAKPOJHKDJF-JXNMKVQOSA-N 352.471 2.343 0 1 FEAF COC(=O)COc1ccc(C[C@H](C)NC[C@H](O)COc2ccccc2)cc1 29466874 KAVTURIWLISQMG-WMZOPIPTSA-N 373.449 2.199 0 1 FEAF CO[C@]12CC[C@]3(C)[C@H](CC[C@@]45C[C@@H](CC[C@@H]43)[C@](O)(CO)C5)C1=CC(=O)N2 2356543306 KTNZRKKLKVMLHB-XSDYXZNKSA-N 361.482 2.125 0 1 FEAF Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(N)n2)n1 223430936 WVGUWDCASABOSY-STQMWFEESA-N 360.425 2.414 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1c(=O)oc(=O)c3ccccc31)O2 587398795 HZEDZGOWEVXWRA-FQEVSTJZSA-N 366.373 2.269 0 1 FEAF Cc1cnc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2c1 586947283 VNHGPJDCYSNSIM-AWEZNQCLSA-N 372.450 2.391 0 1 FEAF Oc1ncnc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc12 586969343 JNEPMRPROKAHTB-UHFFFAOYSA-N 370.350 2.130 0 1 FEAF Cc1nc(N(C)C)ncc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587194561 JSENKMCTFUFLTN-UHFFFAOYSA-N 351.458 2.146 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C(=O)O)=NN(C)c2ccccc21 587394256 RVDCFEXGAYDMEW-LJQANCHMSA-N 351.362 2.328 0 1 FEAF CC(=O)Nc1ccc([C@@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1O 962929285 IMNJBGJIXOMDEA-OAQYLSRUSA-N 367.449 2.462 0 1 FEAF COc1ccc2c(c1)nc(/C=C/c1ccc(O)cc1)c(=O)n2CC(=O)O 1772573733 HXHIGEZCQGIIOJ-XBXARRHUSA-N 352.346 2.366 0 1 FEAF O=C(NCCN1CCN(c2cccc3c2OCCO3)CC1)C1CCCCC1 13738304 AULWQIXLYRHZTL-UHFFFAOYSA-N 373.497 2.276 0 1 FEAF COc1cccc2c1O[C@H](CNCC1CCN(c3ncccn3)CC1)CO2 13799846 ZVPBDPXZHYXGRS-MRXNPFEDSA-N 370.453 2.131 0 1 FEAF Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(F)cn4)C3)ccc2n1 1857763048 ZFXMBAUJTJQGPV-UHFFFAOYSA-N 351.385 2.399 0 1 FEAF CC=CCCC(=O)O[C@@H]1C=CC2=C[C@]3(O)OC(=O)C(CO)=C3C[C@]2(C)[C@@H]1C 2356327657 GDSMAUZWNNFZJH-PUZMVAROSA-N 374.433 2.331 0 1 FEAF COc1ccc(CCNC(=O)c2cc3ccccn3n2)c(OC)c1OC 4961125 YGVJIWOUUZVPAG-UHFFFAOYSA-N 355.394 2.333 0 3 FEAF COc1ccc(N2C(=O)[C@@H](O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 26162680 KEARSTRZIKHVJC-IRXDYDNUSA-N 359.378 2.170 0 1 FEAF Cc1cccnc1Nc1ncc(-c2cncc(C(=O)NCCN)c2)s1 84605318 CINWVSLBEUYEBF-UHFFFAOYSA-N 354.439 2.341 0 1 FEAF COC(=O)CN(C)C(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82085808 GNGZMXVNXPDNKN-UHFFFAOYSA-N 350.396 2.072 0 1 FEAF Cc1cc(NC[C@@H](O)CO)nc(-c2ccc(Br)c(F)c2)n1 84672447 KKARPHGXIVJIEA-SNVBAGLBSA-N 356.195 2.119 0 1 FEAF CC[C@@]1(C)NC(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2NC1=O 96258730 VCFIMVZQVDYSSN-GOSISDBHSA-N 373.434 2.338 0 1 FEAF CO[C@H]1CC[C@H](n2c(=O)c(-c3cn[nH]c3)cc3c(C)nc(N)nc32)CC1 261138907 MSWXKPHFXJRTLF-JOCQHMNTSA-N 354.414 2.202 0 1 FEAF COc1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2n1 587164146 OFFZIQRFQRWUDK-UHFFFAOYSA-N 353.357 2.384 0 1 FEAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(N)ncnc3[nH]2)cc1 587041588 ZQMZPJGUGYMYTJ-GFCCVEGCSA-N 370.438 2.222 0 1 FEAF COc1ccc([C@@H]2NCCc3nc4ccccn4c32)c(OCC(=O)O)c1 962992123 XUURTTUYBIGVOV-SFHVURJKSA-N 353.378 2.041 0 1 FEAF CCOC(=O)[C@H](Cn1ccnc1)NC(=O)c1nc2ccc(C)cc2s1 1772614886 YTPDHYVCOLZRSB-ZDUSSCGKSA-N 358.423 2.163 0 1 FEAF COc1cccc(C2=NO[C@@H](CN3C(=O)c4ccccc4S3(=O)=O)C2)c1 1857541042 XZAMSVPSLLXZMX-CQSZACIVSA-N 372.402 2.033 0 1 FEAF CCc1[nH]c2nc(Oc3cncnc3)nc(N3C[C@H]4[C@H](N)[C@H]4C3)c2c1Cl 103096070 YZRGALHCPBRTES-MSRIBSCDSA-N 371.832 2.149 0 1 FEAF in-vitro O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C1OCCO1 28257218 YUKPOYNFGXVABT-DLBZAZTESA-N 374.437 2.152 0 1 FEAF C[C@]12CC[C@@H]3[C@]45CC[C@H](O)C[C@]4(O)CC[C@@]3(OC5)[C@@H]1CC[C@@H]2C(=O)O 2356655827 MAUIYISYPHUCFP-JQBYXSKASA-N 350.455 2.339 0 1 FEAF C[C@@H]1C[C@]23C(=O)O[C@]2(C)CCCC[C@H]3[C@@]1(CO)CCC(=CCO)CO 2356690083 LWJPKBGAFAPXRA-OKKMPTANSA-N 352.471 2.188 0 1 FEAF CC=C(CO)C(=O)O[C@@H]1CC(C)=CCCC(CO)=C[C@@H]2OC(=O)[C@@H](C)[C@H]21 2356769950 RUKZGUMJTZMSDC-NBMRYCAZSA-N 364.438 2.063 0 1 FEAF O[C@H]1[C@H](O)CO[C@@H](n2cc(Cc3ccccc3)c3cc(Cl)ccc32)[C@@H]1O 66112059 DKEOVBUUHRUSDW-IYWMVGAKSA-N 373.836 2.497 0 1 FEAF O=C([C@H]1C[C@H](Cc2ccc(F)cc2)CN1)N1CCCN(C2CCC2)CC1 49111379 PTIDLMBJKGNROA-FXAWDEMLSA-N 359.489 2.433 0 1 FEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)N1CC=C(c2ccccc2)CC1 195409756 BTXJCYPAPYUGFZ-LFGUQSLTSA-N 362.429 2.109 0 1 FEAF N[C@H]1N=CNc2c(CN3C[C@H](CCCc4ccccc4)[C@@H](O)C3)c[nH]c21 40540361 VHJIRTUSMSLFBE-KNBMTAEXSA-N 353.470 2.241 0 1 FEAF NC(=O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 147570682 TXGLJWWEEVRRMQ-UHFFFAOYSA-N 356.403 2.010 0 1 FEAF CC[C@H]1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](O)[C@@H]1C 195086751 KRERBZWVTNUEMD-NSODJVPESA-N 352.822 2.293 0 1 FEAF CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F 95794073 NBCYIGRVNZFJGW-HOCLYGCPSA-N 356.388 2.390 0 1 FEAF C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2OC)C1 621485883 ROTIUAPOPFMHFV-GFCCVEGCSA-N 372.874 2.264 0 1 FEAF Cc1cccc(N2C(=O)[C@H]3C(C(=O)c4cccs4)=NO[C@H]3C2=O)c1C 100643877 CYVMVERIVVLFDT-XJKSGUPXSA-N 354.387 2.492 0 1 FEAF biogenic Cc1c(I)cnn1[C@H](C)c1nc2c(N)ccnc2[nH]1 587182791 SJMUATCIJXBJOC-SSDOTTSWSA-N 368.182 2.259 0 1 FEAF COC(=O)c1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cn1 586967360 VGZLHKXJHPQRFB-UHFFFAOYSA-N 368.378 2.482 0 1 FEAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(O)nc(S)nc2[nH]1 586963422 NINLGVCBVVRMOC-ZCFIWIBFSA-N 350.429 2.395 0 1 FEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CN=CNc1[nH]cnc12 587590716 TYMTULSAOYWOMM-AUUYWEPGSA-N 362.345 2.426 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1ccc(NC(=N)N)cc1)NCC2 962932497 QHRCKBIYILNGGH-FQEVSTJZSA-N 351.454 2.103 0 1 FEAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@H](O)CO)c1 776326 HZLRNXMHCOFIKM-ZDUSSCGKSA-N 362.426 2.121 0 1 FEAF CCn1c(=O)n(CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c(=O)c2ccccc21 4035721 JIOIPFWJCUUZEU-YCPHGPKFSA-N 357.454 2.124 0 1 FEAF CCCCN(C)c1c(C)nc2ccc(C(=O)N3CCN(C(C)=O)CC3)cn12 61927152 SCZSPXPOVBDRAK-UHFFFAOYSA-N 371.485 2.183 0 3 FEAF COC(=CC(=O)O)[C@H]1c2cc3cccc(O)c3c(O)c2C(=O)C[C@@]1(C)O 2356465339 OBCPKCVHPDMGIX-IEBWSBKVSA-N 358.346 2.287 0 1 FEAF CC(C)[C@@H](C(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2120773 NWWVCEJQYCCAIN-IFXJQAMLSA-N 355.394 2.313 0 1 FEAF biogenic O=C(c1ccc2c(c1)OCO2)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C1 74378192 JGFVYDKXVGTUDR-RHSMWYFYSA-N 354.337 2.430 0 3 FEAF COc1cc2c(cc1O)[C@](O)(c1ccc3c(c1)OCO3)[C@](C)(O)[C@@H](C)C2 14435135 VTOAYOBQUFTMNL-JJFKOLPGSA-N 358.390 2.309 0 1 FEAF biogenic OC(c1cccnc1)(c1cccnc1)[C@H](c1ccccc1)N1CCNCC1 49066559 DDCLWOGSNNHDJS-NRFANRHFSA-N 360.461 2.359 0 1 FEAF C[C@@H]1CCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1 143944649 XTNBMEPCFLCZDO-CYBMUJFWSA-N 362.437 2.439 0 1 FEAF C[C@H](/C=C\[C@H](CO)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C 238766109 DPLUBJMWMWJWLE-JWQIFWPKSA-N 364.482 2.351 0 1 FEAF COC[C@@H](NC(C)=O)C(=O)NCc1ccc(Oc2cccc(OC)c2)cc1 473107607 JNGWUFKILRFBQR-LJQANCHMSA-N 372.421 2.255 0 1 FEAF CC(C)CN1C(=O)C(C(=O)c2ccc(O)cc2)C(=O)N(CC(C)C)C1=O 299855593 BNSSFBAKWUQDDP-UHFFFAOYSA-N 360.410 2.294 0 1 FEAF CCn1ccc([C@@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n1 962647109 XWPRKPSXDXHBSN-ZIAGYGMSSA-N 355.316 2.490 0 1 FEAF CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O 13558897 GXQYQFOZGUYSTC-HZPDHXFCSA-N 369.506 2.232 0 1 FEAF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(OC)c1C(N)=O 14613146 BUADLMMBJTVNFS-UHFFFAOYSA-N 361.350 2.396 0 1 FEAF biogenic COC(=O)[C@@H](CCSC)NC(=O)Nc1ccc2oc(=O)ccc2c1 8486255 JVAOBYKGIUAGFP-GFCCVEGCSA-N 350.396 2.209 0 1 FEAF biogenic C[C@]1(O)C[C@@]23CC(=O)[C@@H]4[C@@]56CCC[C@@]4(C)CN(CCO)[C@@H]5[C@H]2C[C@H]1C[C@@H]36 2356776236 VECNWVPULQDULP-RFRZZUADSA-N 359.510 2.226 0 1 FEAF Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@H](N)C3)n2)n1 211050293 WJXBLZWJWGLQLR-HNNXBMFYSA-N 372.436 2.118 0 1 FEAF CCOC(=O)CCc1nc2nc(N(C)Cc3ccccc3)ccc2[nH]c1=O 82231682 VZRDLKYAIRBMNL-UHFFFAOYSA-N 366.421 2.450 0 1 FEAF C[C@@]1([C@H](O)CO)C=C2CC[C@H]3[C@@](C)(C[C@H](O)C[C@@]3(C)C(=O)O)[C@@H]2CC1 138437790 UWBQESXNYLGFQE-DNMCQFIDSA-N 352.471 2.344 0 1 FEAF CNC(=O)c1ccc([C@@H]2CCCN2C(=O)CN(C)Cc2ccccn2)s1 82039381 NWZDDSFOMPTLRC-HNNXBMFYSA-N 372.494 2.298 0 1 FEAF CC(C)(C(=O)O)[C@H]1CC[C@@]23OC(=O)[C@@](C)(CC[C@H]2[C@]1(C)CC(=O)O)[C@H]3O 238777610 KTIYLKYZGCWKLT-SOYNNYDTSA-N 368.426 2.061 0 1 FEAF CCCC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H](O5)C1=O 253690228 STRMKLVHDMFVTN-ROTPHLBMSA-N 355.434 2.226 0 1 FEAF COc1cc(-c2cn(C)c(=O)c3cncnc23)cc(OC)c1CN(C)C 653887144 SZKYAPUMPFTJEP-UHFFFAOYSA-N 354.410 2.074 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c12 586905797 CGIBBHZLUUAAAD-UVTDQMKNSA-N 369.402 2.482 0 1 FEAF CCOC(=O)c1c(O)[nH]c2cc(I)ccc2c1=O 13766821 PYQQPCIRVRDSON-UHFFFAOYSA-N 359.119 2.015 0 1 FEAF COC[C@@H]1CCCN(C(=O)c2ccc(NCc3cn(C)nc3C)nc2)C1 15068870 GHNMYQXUEBYGED-OAHLLOKOSA-N 357.458 2.234 0 1 FEAF COC(=O)[C@@H]1[C@H](O)O[C@H](C)[C@@H]2CN3CC[C@@H]4C(=Nc5ccccc54)[C@@H]3C[C@H]21 2356416184 KVUXCGFGKOCLAE-AUXBDFBOSA-N 370.449 2.093 0 1 FEAF CC(C)=CCN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@@]3(O)[C@H]1C5 2356435022 OHKCLOQPSLQCQR-QYRPDUKASA-N 355.434 2.082 0 1 FEAF O=C(O)Cc1ccc2c(c1)C[C@@H](CNS(=O)(=O)c1cccs1)C2 27329299 KVZUBEJESFFPGR-LBPRGKRZSA-N 351.449 2.069 0 1 FEAF CCCc1cc(CNC(=O)c2ccc(N3CCCN(C)CC3)nc2)on1 20455258 FJOJRIWWXXPEQN-UHFFFAOYSA-N 357.458 2.094 0 1 FEAF CC(C)CN(CCO)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1 28133051 MOBDUICREOHGRU-UHFFFAOYSA-N 351.834 2.028 0 1 FEAF Cn1cc(-c2cnn3c(N)c(-c4cccnc4)c([C@H]4CCCNC4)nc23)cn1 60327545 OLCVXDZESSBELS-AWEZNQCLSA-N 374.452 2.241 0 1 FEAF COc1ccc(CN(C)CCCn2cnc3c(OC)ncnc32)cc1OC 61922643 RWJXVFLKEQENKW-UHFFFAOYSA-N 371.441 2.374 0 3 FEAF CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(CC(=O)O)cc3)n2n1 40424864 VSUJNPZYUCEIKS-OAHLLOKOSA-N 354.410 2.452 0 1 FEAF O=C(Cc1cccnc1)Nc1cccc(OCCCN2CCOCC2)c1 42892446 KRBFXGGJBVQCMM-UHFFFAOYSA-N 355.438 2.364 0 1 FEAF CCCCOC(=O)COC(=O)CNC(=O)c1coc(-c2ccc(C)cc2)n1 82072271 JUWQDVMGFBZGNP-UHFFFAOYSA-N 374.393 2.266 0 1 FEAF CNCCNC[C@H]1CCC[C@@]12C[C@@H]1[C@H]2[C@@H](O)C[C@]2(C)CCC[C@@]1(O)C2 85547576 MGICYJJSAWMNGJ-AIGJGIFASA-N 350.547 2.294 0 1 FEAF biogenic,in-vitro COC(Cn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1C)OC 95557627 JWEUOCPJVILADH-UHFFFAOYSA-N 374.481 2.474 0 1 FEAF COc1cc(/C=C/CO)cc2c1O[C@H](c1ccc(O)c(CO)c1)[C@H]2CO 238760990 VRNSHBSCENBOKC-BAXQNQMVSA-N 358.390 2.108 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CC)[C@H]2CNC(=O)C2CC2)cc1 95895233 LDIOELSZPYZCLS-PZBSYTJWSA-N 356.466 2.311 0 1 FEAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 95635858 BOUZNRKTKNKATH-UVFHUSQUSA-N 366.454 2.128 0 1 FEAF in-vitro C[C@@H]1C[C@H](O)[C@]2(CO)[C@H](CCC[C@]23CO3)[C@@]1(C)CCC1=CC(=O)OC1 238751524 BJVMZGWCXNSNGI-KOSZUTRVSA-N 350.455 2.205 0 1 FEAF CC1(C)[C@H]2CC[C@@]13C(=O)[C@H]1O[C@@]3(C2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 254209957 ZUGTUFHISUSUOV-ZNYOECAVSA-N 351.402 2.339 0 1 FEAF COc1ccc(NC(=O)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652705 ZRVJMBOJARRLQA-UHFFFAOYSA-N 357.753 2.337 0 1 FEAF COC(=O)[C@](C)(O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810223 UFELMDONYOGOSD-QXRSLXQMSA-N 360.223 2.262 0 1 FEAF CCN1C(=O)COc2ccc([C@@H]3NCCc4c(C(=O)O)cccc43)cc21 963122423 NBGAOSBEXZDWML-IBGZPJMESA-N 352.390 2.365 0 1 FEAF CS(=O)(=O)c1ccc([C@H]2SCC(=O)N2CCN2CCCCC2)cc1 1772624333 ARFCBVNRTYSBFU-QGZVFWFLSA-N 368.524 2.150 0 1 FEAF COc1cc(OC)c(-c2cn3ccc(N4CCNCC4)nc3n2)cc1Cl 1857587661 JXJRXQPHISSCDD-UHFFFAOYSA-N 373.844 2.477 0 1 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@H]4CCOC4)c(=O)n1c23 1857620864 VGDSRFGNVGDCAL-WDEREUQCSA-N 360.385 2.120 0 1 FEAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@H](C)[C@@H](C)O 1542377 NDZDJUSQBJHCBF-VXGBXAGGSA-N 357.882 2.142 0 1 FEAF C[C@]1(O)C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@@H]3CO 2356468661 LMRVOLJKVFSTPO-NBQDQWMBSA-N 352.471 2.034 0 1 FEAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCO 4152147 JWTHEEVPUCNCNS-HKUYNNGSSA-N 354.406 2.286 0 1 FEAF COc1cccc(Nc2cc(-c3cc[n+]([O-])cc3)nc3c2C(=O)NCC3)c1 116991378 BQSGRKNUYOEQPY-UHFFFAOYSA-N 362.389 2.420 0 1 FEAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(c2cccnn2)C1 116978612 DCRBUTIWSGKJCC-GFCCVEGCSA-N 365.441 2.185 0 1 FEAF COc1cc(F)c([C@@H](OC)C(=O)NCc2ccc(C(=N)N)cc2)c(F)c1 38627616 JTJUXSOSQVMAOI-MRXNPFEDSA-N 363.364 2.261 0 1 FEAF CCOC(=O)COc1cccc(CNc2ccc3nc(N)nc(N)c3c2)c1 45301846 ZZZSKHUUXZDZSU-UHFFFAOYSA-N 367.409 2.348 0 1 FEAF NC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 40866954 LUNVMLGVSAHUMF-UHFFFAOYSA-N 365.324 2.214 0 1 FEAF O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1cccc(Cl)c1 96917665 HJYBLVMKESZIFC-PBHICJAKSA-N 356.809 2.462 0 1 FEAF C=CCN1C(=O)[C@@H]2C[C@H](NC(=O)c3ccc(F)c(Cl)c3)CCN2C1=O 25189321 PGLKUIMQFBQOOW-RISCZKNCSA-N 365.792 2.190 0 1 FEAF biogenic CNC(=O)[C@H]1C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 587235320 NNHIWOUMAWSTIQ-WHFBIAKZSA-N 374.036 2.332 0 1 FEAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)cc1 587786516 RBNPQQTYXWPFJD-KBPBESRZSA-N 371.418 2.154 0 1 FEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccnc(Cl)c2[nH]1 586959965 UKCCGECBQCMWKM-AWEZNQCLSA-N 352.803 2.080 0 1 FEAF COC(=O)[C@@H]1C[C@]2(CCN1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587793884 OEEHWZQEGCBLDD-HCYDYPBKSA-N 371.250 2.243 0 1 FEAF O=C(O)c1cccc2c1CCN[C@@]2(C[C@H]1COCCN1)c1ccccc1 963147093 NVXJKOGTVQDXLP-KKSFZXQISA-N 352.434 2.153 0 1 FEAF COc1ccc(Cn2cc(CN3C(=O)COc4ccccc43)nn2)cc1 1772570951 QSLDJYMRKSDCFF-UHFFFAOYSA-N 350.378 2.261 0 1 FEAF O=C(CN1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1 19365637 PPIWMIWZXVTXOK-UHFFFAOYSA-N 351.406 2.122 0 1 FEAF Cc1ccccc1OCCN1CCN(CC(=O)Nc2nccs2)CC1 169334431 LEXKBMHKJKGXMI-UHFFFAOYSA-N 360.483 2.087 0 1 FEAF COc1ccc(-c2nc3n(n2)[C@H](c2cccnc2)[C@H](C(N)=O)C(C)=N3)cc1 169687667 MTBDOMHZZQSUJH-HZPDHXFCSA-N 362.393 2.146 0 1 FEAF CCCCc1ccc(Nc2nc(N)c3ncn(COCCO)c3n2)cc1 1647882 LWHJUZIIFMASRI-UHFFFAOYSA-N 356.430 2.461 0 1 FEAF CC(=O)Nc1cc(-c2cccc(N(C)C)n2)nc(-n2nc(C)cc2C)n1 40422932 PZIMFNJQILPVJP-UHFFFAOYSA-N 351.414 2.366 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 82198569 RHXDAXASSALVLF-ZZLOOQMWSA-N 368.518 2.262 0 1 FEAF Cc1c(OC[C@H]2CCCN(C)C2)ccc2c(N3CCNCC3)cc(=O)oc12 49942657 DHVKGIVQRQBELN-INIZCTEOSA-N 371.481 2.232 0 1 FEAF C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2 145586588 FAYFYCHHIWTMHI-WDSOQIARSA-N 352.394 2.014 0 1 FEAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587174499 JVSAISIDXIETRX-ZDUSSCGKSA-N 373.413 2.073 0 1 FEAF CCS(=O)(=O)NCCCc1nc2ccc(OC(F)(F)F)cc2[nH]1 586943197 XUBUQRIJDRQLCO-UHFFFAOYSA-N 351.350 2.333 0 1 FEAF CC(C)(C)OC(=O)N1C[C@H]2Cc3cc4c(O)nc(O)nc4nc3C[C@H]2C1 587557977 NTQYEMKNJCDOSK-MNOVXSKESA-N 358.398 2.018 0 1 FEAF O=C(O)c1cccnc1SCc1nc2nc(Br)c[nH]c-2n1 586966960 NTRMQMTZLMQDTK-UHFFFAOYSA-N 366.200 2.453 0 1 FEAF COC(=O)/C=C1\OC(=O)c2c1ccc1c(CCN(C)C)cc(OC)c(O)c21 13385637 VAPWHRQXZJKUHO-UVTDQMKNSA-N 371.389 2.342 0 1 FEAF CCCC(=O)OCSc1ccccc1C(=O)N1CCC[C@H]1C(N)=O 1857554602 SBEJMORNWPPENP-ZDUSSCGKSA-N 350.440 2.169 0 1 FEAF COc1ccc([C@H](CC(=O)O)N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 1857749351 BGHMXMWDNRKMAH-HNNXBMFYSA-N 369.329 2.205 0 1 FEAF CC(C)Cn1cc(C(=O)NCCN(C)C)c2c3ccccc3n(C)c2c1=O 2466231 IVRPRICRPVIOEO-UHFFFAOYSA-N 368.481 2.441 0 1 FEAF Nc1nc(N)c2nc(CN3c4ccccc4C[C@H]4C=CC=C[C@H]43)cnc2n1 64373057 FSFDVEWPOBJBGK-IUODEOHRSA-N 357.421 2.258 0 1 FEAF COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N(O)[C@@]15[C@@H]2C)[C@@H]43 2356868452 XBTLJNCJTKVFAE-BVBXRQLNSA-N 352.434 2.346 0 1 FEAF COc1ccc2c(c1OC)C(=O)N1CCc3cc4c(cc3C(=O)[C@@H]21)OCO4 13385620 FVLOWUBINWKJGC-QGZVFWFLSA-N 367.357 2.368 0 1 FEAF biogenic COC(=O)/C(=C/c1ccc(OC)cc1)Cn1nnnc1-c1ccncc1 45284493 JWIZJBTYBLBCES-RVDMUPIBSA-N 351.366 2.000 0 1 FEAF C/C(=C/[S@@](C)=O)n1c(C(=O)c2ccc(Br)cc2)noc1=O 40951374 BRWYUWUWRPGJSA-NJRZHNRPSA-N 371.212 2.027 0 1 FEAF CCCC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195377220 STRMKLVHDMFVTN-QZOYHBKXSA-N 355.434 2.226 0 1 FEAF O=C1OC[C@H](C(=O)NCc2ccccc2)N[C@H]1Cc1ccc(Cl)cc1 40567711 AGEYIXHVDFWGDN-DLBZAZTESA-N 358.825 2.083 0 1 FEAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccnc(Br)c3[nH]2)c1 587142146 LBYOPJCALCEETF-UHFFFAOYSA-N 371.191 2.174 0 1 FEAF COc1ccc(CCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 167057031 RNHCTRZJUVCTDS-IBGZPJMESA-N 368.433 2.498 0 1 FEAF CCOP(=O)(OCC)[C@@H]1N=C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 169671450 BXJNWHVUCMPYQT-MCIONIFRSA-N 350.311 2.469 0 1 FEAF OCC(CO)OCn1c(Br)nc2c(Cl)cc(Cl)cc21 5932743 HOLGTFXLDPZWMH-UHFFFAOYSA-N 370.030 2.433 0 1 FEAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@H](C)[C@H](C)O 13885312 NDZDJUSQBJHCBF-NWDGAFQWSA-N 357.882 2.142 0 1 FEAF COCCN(C)C(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167240306 JCTONBSQBDLWPW-UHFFFAOYSA-N 354.410 2.348 0 1 FEAF CCC(CC)(NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(=O)NC 207378470 PACOOQPFRWWYGE-UHFFFAOYSA-N 360.458 2.177 0 1 FEAF Cc1cc(-c2ccn3c(C(=O)N(C)[C@@H]4CCN(C#N)C4)cnc3c2)ccn1 1857560057 VFRPYADUGZIHEH-QGZVFWFLSA-N 360.421 2.332 0 1 FEAF OC[C@H]1CCCN1c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 10257284 NNWAALAWKNOPQX-CQSZACIVSA-N 354.385 2.421 0 1 FEAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)[C@H]5C[C@@]4(C(=O)O5)[C@H]3CC[C@]12C 2356431985 MUDOTJJLSYDVMT-WDWHUCPESA-N 360.450 2.002 0 1 FEAF CS(=O)(=O)c1ccc(-c2nc(NCc3ccccc3)cc(=O)[nH]2)cc1 29132567 UXAKNAREINRSED-UHFFFAOYSA-N 355.419 2.453 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]23C[C@H]4[C@H](C[C@H](C)[C@H]12)OC(=O)[C@@]4(C)O3 2356641364 NJCOYDCWMCJBNU-QKMNLLHESA-N 364.438 2.135 0 1 FEAF Cn1cc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cn1 225950163 IMKGYXGQYAWWRI-RUDMXATFSA-N 368.418 2.300 0 1 FEAF COc1cc2nc(N3CCOCC3)nc(NC[C@H]3CCCO3)c2cc1OC 82125238 FULZJVRUEDXGMO-CYBMUJFWSA-N 374.441 2.075 0 1 FEAF CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@@]12CN(N=O)CCC2=O 49072742 IDDVCBDDELSDJR-RBUKOAKNSA-N 356.426 2.236 0 1 FEAF O=C1C[C@@]23CCN(CC4CC4)[C@H]4C[C@H](O)[C@@H]1C[C@]42Cc1ccc(O)cc13 95563380 LOXFETCCXNYJIL-WROXGLCASA-N 353.462 2.401 0 1 FEAF OCC(CO)OCn1c(Br)nc2cc(Cl)c(Cl)cc21 5932800 PAMLKRBGEDJVSP-UHFFFAOYSA-N 370.030 2.433 0 1 FEAF CC(C)C[C@@H]1NC(=O)[C@@H]([S@@](=O)Cc2cccc(C(F)(F)F)c2)C1=O 169693708 OBNRZBKQIUGVRC-RLVYNTFLSA-N 361.385 2.436 0 1 FEAF COc1cc2c(c(O)c1CC=C(C)C[C@H](O)C=C(C)C(=O)O)COC2=O 2356323884 FUNURVVEMQFKSS-LBPRGKRZSA-N 362.378 2.342 0 1 FEAF C[C@H](C(=O)N1CCC2(CC1)OCCO2)[C@H]1Sc2ccccc2NC1=O 3047411 MHHWFDVCHHZDPU-SWLSCSKDSA-N 362.451 2.101 0 3 FEAF NC(=O)c1ccc(N2CCCCC2)c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 101895244 PZLHHNNDLKIJFJ-OSLDLMBLSA-N 365.433 2.087 0 1 FEAF COc1ccc2cc([C@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc2c1 28252929 ZDGDKLISXIEJCD-ZBEGNZNMSA-N 359.378 2.386 0 1 FEAF O=C(c1ccncc1)N1C[C@@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356632424 BBUKAQHDDPJSRQ-CZUORRHYSA-N 358.348 2.476 0 1 FEAF CC(=O)OCC=C(C)C[C@@H](O)C=C(C)[C@@H](O)CC=C(C)COC(C)=O 2356773192 SSUOGNQKOGHQIV-MOPGFXCFSA-N 354.443 2.454 0 1 FEAF C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@]2(OC)C[C@@H]1[C@H]5C(=O)OC 238788738 DTWMPIYEXLWLSM-JVNDFHKTSA-N 368.433 2.220 0 1 FEAF CCc1ccc(NC(=O)CN2C(=O)N[C@@H]3[C@H](O[C@H]4CCCC[C@@H]43)C2=O)cc1 618016323 FTMJBXBTXZVUGF-LAQRGFTBSA-N 371.437 2.066 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCC(N)=O)[C@@H](C2)C3=O 587427418 CUMHEOTWUHXALG-VBKZILBWSA-N 353.374 2.438 0 1 FEAF O=C(O)c1cccc2c1CCN[C@@]2(C[C@@H]1COCCN1)c1ccccc1 963147084 NVXJKOGTVQDXLP-IERDGZPVSA-N 352.434 2.153 0 1 FEAF NC(=O)COc1ccc([C@@H]2NCCc3c(C(=O)O)cccc32)cc1Cl 963136052 XKPLSHLNCBNVMH-KRWDZBQOSA-N 360.797 2.137 0 1 FEAF CC[C@H](NS(=O)(=O)c1cnn2cc(C)cnc12)c1ccc(OC)cc1 1772631619 ARGXFNRGKUVQQU-HNNXBMFYSA-N 360.439 2.476 0 1 FEAF CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)CC1 5834139 FBHITSWCIBSYNP-UHFFFAOYSA-N 361.417 2.346 0 1 FEAF C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)n1sc2ccccc2c1=O 6799832 DRGPTQVMEZWWEJ-AWEZNQCLSA-N 368.462 2.368 0 1 FEAF O=C(C1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccncc2)cc1 100107810 ORYBWWOKLKXUFF-WKCHPHFGSA-N 363.461 2.441 0 1 FEAF CC(C)NC[C@H](O)COc1ccc(OCCn2cc(Cl)cn2)cc1 27561423 AWBKRUITZVWEQE-HNNXBMFYSA-N 353.850 2.353 0 1 FEAF Cc1c(NCCO)ccc2c(=O)n(-c3cccc(Cl)c3)c3nncn3c12 34948570 LQBKRNWFUSDMQJ-UHFFFAOYSA-N 369.812 2.399 0 1 FEAF COc1ccc([C@@H]2C3=C(COC3=O)Nc3ccc4n[nH]nc4c32)c(F)c1 71329149 CFVKTSXYZAYWPR-AWEZNQCLSA-N 352.325 2.474 0 1 FEAF CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@H](N)C3)n2)cn1 224850244 WXBFQEMPNLLMNB-INIZCTEOSA-N 374.452 2.236 0 1 FEAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CC[C@H]21)[C@H](CO)C3 257418754 FQXFNQBHZJYODR-NHIYXCTGSA-N 352.471 2.034 0 1 FEAF endogenous,in-man COc1cc2c3c(c1)O[C@H](c1cnc(N4CCOCC4)s1)[C@@H](C2)C3=O 587450536 FVJYRAQIHGLDCD-SJCJKPOMSA-N 358.419 2.477 0 1 FEAF Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)n(C)n1 587276667 QFUGKTAMOPCGJA-UHFFFAOYSA-N 350.172 2.356 0 1 FEAF CCNC(=S)Nc1cc(-n2cnc(CNCc3ccccc3)c2)ncn1 1772574539 VCKFGQJFNSHWDL-UHFFFAOYSA-N 367.482 2.258 0 1 FEAF O=C1CCN(CCc2ccccc2)CCN1[C@H](CO)Cc1ccccc1 15935143 MASUPROKDHQNMS-NRFANRHFSA-N 352.478 2.367 0 3 FEAF O=C(CCc1cccc2c1B(O)OC2)Nc1cccc(Br)c1 1857533878 ISNFTNYDBWPMAM-UHFFFAOYSA-N 360.016 2.238 0 1 FEAF CCOc1ccc(Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1 4934787 SOQCIIIEAMBANL-UHFFFAOYSA-N 365.437 2.280 0 3 FEAF aggregator CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc(C(F)(F)F)cc1 28474114 SBRVJURPTUHNTB-UHFFFAOYSA-N 359.352 2.087 0 1 FEAF CC(C)=CC(=O)O[C@@H]1CC(=O)[C@]2(C)[C@H](O)[C@@H]3[C@H](C[C@H](C)[C@@H]12)OC(=O)[C@H]3C 2356527413 GZJSYCISXGQHLT-AUUMAMSJSA-N 364.438 2.038 0 1 FEAF N=C1CCC[C@H](C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)N1 64527897 HZHJCKDWMOAWJH-QRQLOZEOSA-N 362.493 2.072 0 1 FEAF CC1(C)C[C@H](O)C[C@]2(C)C(CCC3=CC(=O)OC3)=C(CO)C[C@H](O)[C@H]12 15061229 AFDSRXAFGCVZJA-LBLLVPRASA-N 350.455 2.107 0 1 FEAF biogenic COc1cc(/C=C2\CCCN3C[C@H](CO)ON=C23)ccc1-n1cnc(C)c1 95576245 OTBWYRJPGOMZMS-QLGNDSFESA-N 368.437 2.373 0 1 FEAF COc1cc(/C=C2\CCCN3C[C@@H](CO)ON=C23)ccc1-n1cnc(C)c1 95576244 OTBWYRJPGOMZMS-BDBSJLECSA-N 368.437 2.373 0 1 FEAF CO[C@@H]1Oc2cc(-c3ccc4c(c3)O[C@H](CO)[C@@H]4CO)ccc2[C@H]1OC 34443398 XUAGYARHMDGNBA-HUYLIWGRSA-N 358.390 2.235 0 1 FEAF biogenic CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(=O)NCCc1ccc(C)cc1 299850109 AJGXQETVBKVLRY-HXUWFJFHSA-N 351.406 2.220 0 1 FEAF O=C(O)CSc1ncccc1-c1nc2cc(S(=O)(=O)O)ccc2[nH]1 586967570 BCCVNMNJQYWZKH-UHFFFAOYSA-N 365.392 2.048 0 1 FEAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(Br)nc3[nH]2)c1 587142336 VSEYHJZMLAIETH-UHFFFAOYSA-N 371.191 2.174 0 1 FEAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)C4=Nc5ccccc5[C@]4(O)CCN(C2=O)[C@@H]13 2356464300 FCRGUGMZWUACLY-NCJSFSATSA-N 368.433 2.170 0 1 FEAF COC(=O)N[C@H]1CSC[C@@H]1OC(=O)c1ccc(Br)cc1 2855808 MSJQIJWBTUHVCV-QWRGUYRKSA-N 360.229 2.446 0 3 FEAF Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12 1911573496 IEOMIWSHXNNXIN-QWHCGFSZSA-N 358.461 2.416 0 1 FEAF COc1ccc([C@H](O)[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1 66263993 PCTUPZPAYKOORH-JVPBZIDWSA-N 356.374 2.489 0 1 FEAF CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)[C@H]1O 29477387 QRMYFVCKXAQEDN-HUJIQXBTSA-N 372.417 2.418 0 1 FEAF C[C@@H](O)[C@@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356505473 FTIPFRDCMUGVRU-UKUPHKKPSA-N 352.515 2.473 0 1 FEAF COc1cc2c(cc1OC)[C@H]1Cc3cc4c(cc3[C@@](O)(C2)N1C)OCO4 2356600705 VUKPRDVYZZFSQO-QRWLVFNGSA-N 355.390 2.363 0 1 FEAF CC[C@@H]1OC(C)(C)O[C@H]([C@@H](C)C(=O)SCCNC(C)=O)[C@@]1(C)OC 2356747126 RTJAGGPOVJJDBN-WFTWPBCJSA-N 361.504 2.354 0 1 FEAF CNC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)OCCO3)cc1 29227800 ANRKPGUVVLPHTP-LBPRGKRZSA-N 355.394 2.257 0 1 FEAF Nc1cccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)n1 49784061 ORUXQZROMHNKDA-UHFFFAOYSA-N 373.420 2.296 0 1 FEAF COc1cc(C)cc(OC)c1OC(=O)[C@@H](CC[S@@](C)=O)N1CCCC1 40465117 YNEIGJNEKCKFLJ-PWECECGKSA-N 369.483 2.151 0 1 FEAF COC(=O)C[C@H](O)/C(C)=C/Cc1c(OC)c(C)c2c(c1OC)C(=O)OC2 45298559 FTRCYARZOODGLT-XYYIANASSA-N 364.394 2.095 0 1 FEAF NCOCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 95535233 SMQLLFDYOJCBAI-SFHVURJKSA-N 370.405 2.301 0 1 FEAF O=C(O)[C@H](O)[C@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586889647 MJDFAQLPNFRHMC-UONOGXRCSA-N 355.375 2.319 0 1 FEAF NS(=O)(=O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 587177652 RVVISEKAAOSTBI-UHFFFAOYSA-N 361.402 2.012 0 1 FEAF N=C(N)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586921990 JPJHKBGOKUVTNZ-UHFFFAOYSA-N 368.462 2.352 0 1 FEAF Oc1cc(O)nc(SCc2nc3ccc(Br)nc3[nH]2)n1 586967349 YCIYZZFRBBPGSA-UHFFFAOYSA-N 354.189 2.214 0 1 FEAF COc1cncc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587127212 OPLJIGDLEUCHFI-UHFFFAOYSA-N 358.301 2.322 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)N1CCOCC1 587869674 MNRCAJJFAQVGEL-UHFFFAOYSA-N 356.304 2.273 0 1 FEAF COC(=O)C1CN(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 167849483 SUUCLBBOIIQNFL-UHFFFAOYSA-N 352.394 2.239 0 1 FEAF CCn1c(OC)nnc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1 103294148 CZEKSFTXHJDYSF-MRVPVSSYSA-N 362.814 2.139 0 1 FEAF O=C(CSc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O 26935894 GIWQLCDGCBZPSZ-UHFFFAOYSA-N 363.416 2.124 0 1 FEAF O=C(O)c1cccnc1SCc1nc2c(S)nc(S)nc2[nH]1 586969770 ZOVFPYRWPJACFT-UHFFFAOYSA-N 351.438 2.316 0 1 FEAF C[C@]1(c2ccc(O)nn2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705186 UZMMSDYEXFTGEY-ABAIWWIYSA-N 371.290 2.203 0 1 FEAF CC(C)c1csc(CCc2ccn3c(=O)c(-c4nn[nH]n4)cnc3c2)n1 13587633 GUQIWSRGKSWUTD-UHFFFAOYSA-N 367.438 2.240 0 1 FEAF O=C(CCn1nnc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 201447404 UQLAEMWMVPQIRZ-UHFFFAOYSA-N 353.401 2.309 0 3 FEAF COCCCN1CCC(CNC(=O)c2cccc3nc(C(C)C)nn23)CC1 1857763187 KERBGTVWVQJUGZ-UHFFFAOYSA-N 373.501 2.331 0 1 FEAF C[C@H](CNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)o1)c1ccccc1 6974001 BDRFVBARFQXOKH-GFCCVEGCSA-N 359.407 2.112 0 1 FEAF CCOC(=O)c1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)nc1C 101703818 KQSYOBQZSYZSAI-DBIOUOCHSA-N 350.396 2.090 0 1 FEAF C[C@@H]1C[C@@H]2C(=O)C(C)(C)[C@H](O)CC[C@@]2(O)[C@]1(C)CCC1=CC(=O)OC1 2356332981 LEZWSCIWQQGIDL-OMTVYQRUSA-N 350.455 2.393 0 1 FEAF Cn1ncnc1[C@@H]1c2n[nH]c(=O)c3cccc(c23)N[C@@H]1c1ccc(F)cc1 117890457 VGCYLQAHCSEGLE-JKSUJKDBSA-N 362.368 2.489 0 1 FEAF CC[C@@H]1C[C@]2(CC)O[C@]3(CC(=O)OC)O[C@@]4([C@H](C)O)O[C@@]3(CC)[C@H]2[C@@H]14 2356802715 SPOLFFFSFXRMEK-OOPWJWQDSA-N 354.443 2.373 0 1 FEAF O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F 95667760 PWZUSQLFFRQDIV-JKSUJKDBSA-N 368.399 2.390 0 1 FEAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3nc(Cl)c[nH]c-3n2)cc1 586925523 GJPZYJLMHRNSDO-UHFFFAOYSA-N 364.814 2.177 0 1 FEAF CCn1cc(Br)c(Cc2nc3ccc(C(=O)OC)nc3[nH]2)n1 587000018 JQRWFCOZHHVKHM-UHFFFAOYSA-N 364.203 2.314 0 1 FEAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3ncccc3[nH]2)cc1 586946353 KUVWDEVJBOPTPY-CYBMUJFWSA-N 358.423 2.082 0 1 FEAF Nc1nc(O)c2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2n1 586901438 UNMFRASUOWYYAN-UHFFFAOYSA-N 351.322 2.292 0 1 FEAF Cc1cc(-c2nc3c(O)ncnc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125442 QKCUWDOAQNAICD-UHFFFAOYSA-N 373.316 2.295 0 1 FEAF Nc1nc(Cl)c([C@H]2NCCc3nc4ccccn4c32)c(N2CCCC2)n1 962991269 UWOFEBARGDYLCB-CQSZACIVSA-N 369.860 2.195 0 1 FEAF O=C(NC1CCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 5066891 UXGWEACFQCSONN-INIZCTEOSA-N 373.478 2.447 0 3 FEAF COc1ccc(-c2cc(CCCC(=O)N3CCC(C(N)=O)CC3)no2)cc1 4176207 AVEUMZMHXCFQIZ-UHFFFAOYSA-N 371.437 2.397 0 1 FEAF COc1ccc(OS(=O)(=O)c2cc(OC)c(OC)c(OC)c2)cc1 27991980 LIBOCTMTVKOTOA-UHFFFAOYSA-N 354.380 2.489 0 1 FEAF COC(=O)[C@@]1(c2ccc(C)cc2)C[C@@H]1CN1CCN(c2ncccn2)CC1 28636746 YDIFERBWWDDTIR-WIYYLYMNSA-N 366.465 2.038 0 1 FEAF COc1c2c3c(c(OC)c1OC)-c1ccccc1[C@@H]1C(=O)C(=O)N(CC2)[C@@H]31 2356528977 OMCGRFPKCCDQBN-HOTGVXAUSA-N 365.385 2.485 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C=C3OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@@H]1C 2356627989 CWQFFFQIMPZPEO-TZFCGUKBSA-N 362.422 2.163 0 1 FEAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@H]1CCCN(c2ncccn2)C1 2356698907 UNOKPSAHWJNFTC-FHWLQOOXSA-N 371.529 2.416 0 1 FEAF O=C(Cn1cnc2c(OCc3ccccc3)ncnc21)NCc1ccccn1 61947325 XQIMQMWYUMAXCX-UHFFFAOYSA-N 374.404 2.117 0 3 FEAF CN(C)Cc1cc(C[C@@H]2CNCC[C@H]2CC(=O)NC2CCCCC2)no1 2356870996 XWAGKXGMSGLAPM-JKSUJKDBSA-N 362.518 2.343 0 1 FEAF CN1CCN(c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1 36176823 BWLBVHWCNZAPOW-UHFFFAOYSA-N 374.448 2.405 0 1 FEAF COc1cc(C[C@H]2COC(=O)[C@H]2Cc2cc(O)c(O)c(OC)c2)ccc1O 14646681 FMVYKFXTOXIOFV-KBPBESRZSA-N 374.389 2.395 0 1 FEAF biogenic O=C(O)CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC(O)O 85589061 ZZSBUQYGAPWEOJ-RMQNAGPKSA-N 368.470 2.449 0 1 FEAF endogenous,in-man NS(=O)(=O)c1ccc(Nc2nccc(-n3ncc4ccccc43)n2)cc1 84733065 MGYDUQVCVWCQMO-UHFFFAOYSA-N 366.406 2.207 0 1 FEAF COc1ccc2c(c1)CN1CN(Cc3ccc(F)cc3)S(=O)(=O)C[C@H]21 96020154 HDYPTMZOPPHOJX-GOSISDBHSA-N 362.426 2.494 0 3 FEAF COc1ccc(C2=N[C@H](C(=O)NCc3ccc(OC)c(OC)c3)CO2)cc1 95562044 YWENQGJXKCAMDE-INIZCTEOSA-N 370.405 2.174 0 1 FEAF CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(C)=O 95895100 LKMXYQNMWFUTMA-PCCBWWKXSA-N 370.424 2.304 0 1 FEAF C=CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 618018381 ZSXJWVLVYZWMTQ-SNVBAGLBSA-N 364.345 2.319 0 1 FEAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 586881587 HKHLKASYILGWOX-UHFFFAOYSA-N 360.377 2.467 0 1 FEAF COC(=O)[C@@H]1COC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587833989 JLNVWFZUWQQCOP-UYNUJQBQSA-N 358.207 2.137 0 1 FEAF COc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 587134053 JOGGBLVCBSBZFJ-UHFFFAOYSA-N 371.340 2.467 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(C(=O)O)N1 587825769 FFOZZWNWIJBJDM-WJWGPLDTSA-N 360.179 2.267 0 1 FEAF CS(=O)(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587025770 QKSYFGLKVJBEPO-UHFFFAOYSA-N 358.495 2.399 0 1 FEAF CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@H]4[C@H](C)OC[C@H]([C@@H]4CC2=O)[C@@H]13 5574738 FMZMLKGLGADCPQ-SYMKVRRDSA-N 368.477 2.235 0 1 FEAF O=C(c1cn[nH]c1)N1CCC(C(=O)N2N=CC[C@@H]2c2ccccc2)CC1 1857549728 OOWYDYSLPFQTBZ-QGZVFWFLSA-N 351.410 2.221 0 1 FEAF Cc1c(N2C[C@@H](N)[C@H](C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520990 CNHUNPQEMUPFEV-RFAUZJTJSA-N 359.401 2.106 0 1 FEAF CS(=O)(=O)N1C[C@@H]2[C@H](c3ccccc3)[C@H](C1)N2Cc1ccc(F)cc1 100089046 UQLHAIUPXSNUMW-BWTSREIZSA-N 360.454 2.438 0 1 FEAF COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(F)cc2Cl)C1 61928867 COAWRQWFAYKVRA-QGZVFWFLSA-N 356.825 2.484 0 3 FEAF COCCNC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21 20579273 TWUCTMGVUYLRCR-UHFFFAOYSA-N 355.394 2.263 0 1 FEAF CC(=O)O[C@H](CCCCC[C@@H](O)[C@@H](O)CCCCCCO)CC(=O)O 2356636953 BCSLIHBDUIHHTK-IXDOHACOSA-N 362.463 2.008 0 1 FEAF CNC(=N)N1C=CC[C@@]23[C@H]4CC[C@@](C)(CC[C@@H]12)[C@]31C[C@@H](O)C(C(=O)O)=C1C4 2356769257 ZPRPKJYNUBYLDB-YBURVQKQSA-N 371.481 2.461 0 1 FEAF CC=C1CN2C(=O)[C@@]3(c4ccc(O)cc4NOC)C[C@H]2[C@H]2CO[C@H]3C[C@@H]12 2356779581 AZOCUYPKKAEAFV-GYPRTHBGSA-N 356.422 2.199 0 1 FEAF Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccccc2F)c1 73311288 PMZVISPCVPVOFN-QFBILLFUSA-N 358.461 2.048 0 1 FEAF in-vitro Cc1ccc(S(=O)(=O)Oc2ccc(C3=NO[C@H]4CN(C)C[C@@H]34)cc2)cc1 73167869 WGUDHIHKQGIMPM-MSOLQXFVSA-N 372.446 2.427 0 1 FEAF O=C(c1cc2ncccn2n1)N1CCN(CCc2ccc(F)cc2F)CC1 73294412 KOIKCKODGUGCHQ-UHFFFAOYSA-N 371.391 2.008 0 1 FEAF COCCC(=O)Nc1cc(Cc2nnc(O)c3c2NCCC3)ccc1F 84689427 HCXMNLCCKOKFQJ-UHFFFAOYSA-N 360.389 2.245 0 1 FEAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCCc1cccc(F)c1 82203703 JYJPLCJGOAPPNG-UHFFFAOYSA-N 357.433 2.280 0 1 FEAF COc1cc(C(=O)N[C@@H]2CCCCN(C(C)C)C2=O)cc(OC)c1OC 199718600 JLJHCVMWXWDZCL-CQSZACIVSA-N 364.442 2.232 0 3 FEAF COc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c(C)c1 95590717 XYKYXPAFODQBET-UHFFFAOYSA-N 350.400 2.263 0 1 FEAF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC[C@@H]4OCC[C@]4(C1)[C@H]23 238778711 VCQDLWMBEJFDFJ-DVWBAYGPSA-N 352.434 2.434 0 1 FEAF NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccsc3)CC1)C2 143773716 RBNSMVGFGNNHLH-UHFFFAOYSA-N 355.463 2.467 0 1 FEAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCOCC5)n4)c3c2)o1 145423726 JYUCZTGADIKZPX-UHFFFAOYSA-N 363.381 2.094 0 1 FEAF CCOC[C@]1(O)C[C@H]2CN(c3ccc(OCC(F)(F)F)cc3)C(=O)N2C1 96168561 FETPZWYPMFYBTB-BBRMVZONSA-N 374.359 2.410 0 1 FEAF CC(=O)N1c2ccccc2[C@]23CCN(C)[C@H]2C[C@@H]2[C@@H](CO[C@H](C)[C@H]2CO)[C@H]13 95913423 JZPZTBRHWIWFEK-XSBRVDMRSA-N 370.493 2.027 0 1 FEAF biogenic,in-vitro C[C@@H]1CC[C@@H]2C(=O)NC[C@H](O)CN2[C@H]1c1ccc(Br)cc1 254046272 CBJAXLVQLSPOSC-AQNFWKISSA-N 353.260 2.081 0 1 FEAF C[C@]1(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)C=C(c2ccccc2F)NO1 587154400 FCHLWTCJYFRYHX-QGZVFWFLSA-N 374.397 2.141 0 1 FEAF CCOC(=O)C1=CN(C)C(=O)C[C@]12c1ccc(F)cc1C[C@@H]1CCCN12 963112095 WOIGTUBJRMXDGI-YWZLYKJASA-N 358.413 2.351 0 1 FEAF COC(=O)[C@@H](C)n1cccc1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962930563 LWSFYJQNBFBHNG-FZKQIMNGSA-N 355.438 2.159 0 1 FEAF O=C(OCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)N1CCOCC1 203463075 VSFAXHGUDBPCIP-UHFFFAOYSA-N 370.331 2.314 0 3 FEAF O=C(c1cccc(Cl)c1)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1 205563499 KZGDVTUGJXOUGN-UHFFFAOYSA-N 369.772 2.287 0 1 FEAF CN(C)c1ccc(-c2cc(-c3ccc(-n4cnnn4)cc3)nc(=N)[nH]2)cc1 1857555082 SEIVNQNXYIOWMK-UHFFFAOYSA-N 358.409 2.265 0 1 FEAF Cc1ccc(S(=O)(=O)N2C(=O)NC(=O)[C@@]23CCCc2ccccc23)cc1 1857572855 YGRGZNKVCGIGFG-IBGZPJMESA-N 370.430 2.467 0 1 FEAF CCC(=O)NC[C@@H]1O[C@H](Cc2cc(COc3ccccc3)on2)CC[C@@H]1O 2356308472 VJILIXNQHXNIFU-WDSOQIARSA-N 374.437 2.231 0 1 FEAF O=C(O)CCC[C@H](O)[C@@H](O)C=CC=CC=CC=C[C@H](O)CCCCCO 2356343135 JGHYLPPTOXKEKH-FHWLQOOXSA-N 368.470 2.102 0 1 FEAF O=C(O)CCC[C@H](O)C=CC=CC=CC=C[C@@H](O)[C@H](O)CCCCCO 2356344131 ZOMUODAIBQTYLE-GUDVDZBRSA-N 368.470 2.102 0 1 FEAF Cc1nc(C)n2nc(S(=O)(=O)Nc3ccccc3F)nc2c1Cl 103211128 WUGRYFYWKBJEIE-UHFFFAOYSA-N 355.782 2.334 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H]3OC(=O)[C@H]1[C@]23C 2356539454 OWACIDNMPZLRTG-QHJLJPATSA-N 360.406 2.468 0 1 FEAF COC(=O)[C@@H]1C[C@H]2C=C(Br)[C@H]1N(Cc1ccccc1)C2=O 2356723714 RVGKQUBLSAWNDE-SCRDCRAPSA-N 350.212 2.485 0 1 FEAF O=C(c1ccc2c(c1)OCO2)N1C[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C1 74378189 JGFVYDKXVGTUDR-PBHICJAKSA-N 354.337 2.430 0 3 FEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NCC(C)(C)O 222354333 KTRXAKKECRZQCO-UHFFFAOYSA-N 365.437 2.402 0 1 FEAF COc1ccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)nc1 143370149 FAKLXXZDSSQXCR-UHFFFAOYSA-N 374.485 2.366 0 1 FEAF COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1cc(=O)oc2ccccc12 95572607 ZZQUGEBYEPDCHR-TZMCWYRMSA-N 361.394 2.264 0 1 FEAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccnc2[nH]1 586945273 FJDUJUFOIWPAEM-CYBMUJFWSA-N 372.450 2.391 0 1 FEAF Cn1cnc2cc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cnc21 963237193 WYEYLVMKPYAZFH-MSOLQXFVSA-N 359.389 2.205 0 1 FEAF O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCC1 169252421 CJXSUHUGXGYYSY-MRXNPFEDSA-N 366.400 2.451 0 1 FEAF Cc1cc2ncnn2c2sc(C(=O)N[C@@H]3Cc4cccnc4C3)c(N)c12 1857551254 SFXVLENGUQBVFY-LLVKDONJSA-N 364.434 2.127 0 1 FEAF O=C(Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccccc21)c1ccccc1 2467848 WSAUNOPVRDDFBO-MRXNPFEDSA-N 364.401 2.225 0 3 FEAF Cc1ccc(CS(=O)(=O)CCC(=O)NCCN2CCCC[C@H]2C)cc1 2940967 WITOATZYVYREAE-QGZVFWFLSA-N 366.527 2.291 0 3 FEAF C/C=C(\C)C(=O)O[C@@H]1[C@@]2(C)[C@@H](CC[C@@H](O)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 100774351 FYNKIYMILKEXOG-MDEDGVQUSA-N 364.438 2.340 0 1 FEAF endogenous,in-man COc1ccc2nc(CO[C@H]3CN(C(=O)c4ccncc4)C[C@@H]3F)[nH]c2c1 2356302702 QGHCMKLQFKBOBG-YOEHRIQHSA-N 370.384 2.346 0 1 FEAF CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 101283967 JDRAQFXCNZIIPO-GYBPFOEHSA-N 357.406 2.101 0 1 FEAF O=C(O)C[C@@H]1CCN(C2CCOCC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356305736 BVLNEEDOQSEPEC-UONOGXRCSA-N 358.442 2.092 0 1 FEAF COC(=O)c1cc(OC)c2c(c1)[C@H](CO)[C@H](c1ccc3c(c1)OCO3)O2 2356624345 VRLLQDATJITICB-GUYCJALGSA-N 358.346 2.420 0 1 FEAF Cc1c(C(=O)NCCc2ccccc2)[n+](=O)c2cc(F)c(F)cc2n1O 49067290 AXLIDJIJCVMRDZ-UHFFFAOYSA-O 360.340 2.352 0 1 FEAF NC(=O)c1ccc(N[C@H]2CCNC[C@H]2c2ccc(F)cc2)c2cncnc12 143684789 SCWYHQWISDGCJM-YJBOKZPZSA-N 365.412 2.425 0 1 FEAF COc1ccc2c(c1)C(=O)C(=O)N2Cc1cc(OC)c(OC)c(OC)c1 96926921 LJCUNLFNTURBCP-UHFFFAOYSA-N 357.362 2.451 0 1 FEAF CCc1cc(O)nc(SCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)n1 586966249 CCNHRXYXJFMARU-UHFFFAOYSA-N 366.424 2.160 0 1 FEAF COc1nccnc1[C@@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962656235 ACKGNLQZLLEICD-OXJNMPFZSA-N 364.405 2.221 0 1 FEAF O=C(O)c1cccc2c1CCN[C@@]21[C@H]2CO[C@H]1CN(Cc1ccccc1)C2 963130419 IURGVBSGZRGAJI-BUVFEPMLSA-N 364.445 2.257 0 1 FEAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H](CN)C3)cc21 5834233 AZGBDENTKYNCPV-NSHDSACASA-N 361.417 2.379 0 1 FEAF COCCNC(=O)Cn1nnc(C)c1COc1ccc2ccccc2c1 1857606457 UFZLXTYPJIANBC-UHFFFAOYSA-N 354.410 2.081 0 1 FEAF CC[C@H](C)[C@H](C(=O)O)N(C(=O)[C@H](N)CC(C)C)[C@@H](C(=O)O)[C@H](C)CC 1857632617 DXICGRKNEYCBLC-XLWJZTARSA-N 358.479 2.187 0 1 FEAF CCOc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccncc3)C(=O)C[C@@H]12 1857758435 SICRJMNVLZDPID-OAHLLOKOSA-N 365.389 2.086 0 1 FEAF CNC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1 905183 WIRCGVUMEOGXMP-UHFFFAOYSA-N 353.451 2.421 0 3 FEAF O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(c2cccnc2)CC1 1347909 SDMSLTOLFYATIE-UHFFFAOYSA-N 352.843 2.407 0 3 FEAF Cc1c(N2C[C@H]3C[C@]3(CN)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12 1911572873 YXPLJQOMUASLEV-XCLFUZPHSA-N 356.445 2.028 0 1 FEAF CC(=O)S[C@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc(F)cc1 27306711 BZLNEMCQBXUFCZ-UONOGXRCSA-N 367.398 2.122 0 1 FEAF CC(C)C[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H]1COCC1=O 26147858 IOQKOISMPDGVFY-ZIAGYGMSSA-N 374.462 2.130 0 1 FEAF COc1c(-c2ccc3c(c2OC)O[C@@H](CO)[C@@H]3CO)ccc2c1OCC2 14695343 OEPJKRZARIIETN-CVEARBPZSA-N 358.390 2.135 0 1 FEAF biogenic COc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2OC(C)=O)ccc1O 14643609 GOPRNCJZASYCJQ-QZTJIDSGSA-N 360.318 2.060 0 1 FEAF biogenic O=C1OCC2=C1[C@@H](c1ccccc1)c1cc3c(cc1N2CCO)OCCO3 198347828 CXXCBXYIACNDLN-IBGZPJMESA-N 365.385 2.213 0 1 FEAF CCOC(=O)[C@@H](C)NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 40846598 WTFXAXCWSNQSAP-HIFRSBDPSA-N 354.406 2.274 0 1 FEAF CC1(C)[C@H]2CC[C@]13C(=O)[C@@H]1O[C@@]3(C2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 195489567 ZUGTUFHISUSUOV-FFXQEGANSA-N 351.402 2.339 0 1 FEAF CC(C)n1cnc2c(NCc3ccccc3)nc(NCCOCCO)nc21 299867165 XNQQIHQLFLPZNV-UHFFFAOYSA-N 370.457 2.440 0 1 FEAF CN(Cc1nc2cnc(Cl)[nH]c-2n1)S(=O)(=O)c1ccc(Cl)cc1 586928549 CMNFCGIUYDAECD-UHFFFAOYSA-N 372.237 2.432 0 1 FEAF CNS(=O)(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447566 CKKLEYRBAOMHED-KDOFPFPSSA-N 359.403 2.092 0 1 FEAF CNS(=O)(=O)N1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1 586954315 GUMSAVWFASEYDL-UHFFFAOYSA-N 362.377 2.225 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)C1(CCN(C(=O)c3ccoc3)CC1)NCC2 962930698 MDAZHYVDTVJJCL-UHFFFAOYSA-N 367.449 2.259 0 1 FEAF O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21 169290858 NLRDWJJCYOHFLS-OMGPHWHRSA-N 361.401 2.120 0 1 FEAF C=C1C(=O)O[C@H]2CC(CO)=CCCC(COC(=O)[C@@H](C)[C@@H](C)O)=CC[C@H]12 253638299 JTFXNPPZNWSQAJ-GGBBIFEXSA-N 364.438 2.063 0 1 FEAF CC=C1CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2C[C@H]1c2ccccc2N[C@H]13 2356363888 OFQWNEQERHWDMW-BRKRJZBWSA-N 354.450 2.139 0 1 FEAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4cnccc4[nH]3)C2)cn1 2356302380 UBECGIIIGZBVQG-BBRMVZONSA-N 357.389 2.101 0 1 FEAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCC[C@H](C)O 29339574 GCTXIRBZSHJNFY-LBPRGKRZSA-N 357.882 2.144 0 1 FEAF Cc1cc(S(=O)(=O)NC[C@H](O)CN2C[C@@H](C)C[C@@H]2C)c(C)cc1Cl 28892204 ACZYRGLADZGESO-CQDKDKBSSA-N 374.934 2.326 0 1 FEAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(C#N)cc2)c1 114077685 OMKHCIFLCNZFGN-UHFFFAOYSA-N 360.421 2.327 0 1 FEAF CC(=O)O[C@H](C)n1cnc2c(Cl)nc(I)nc21 27644320 FIXPNCHCPCXWMH-SCSAIBSYSA-N 366.546 2.166 0 1 FEAF CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C(C)=O)c3)c(F)c2)C(=O)O1 28097340 FJIVXDZFGWKNTM-HNNXBMFYSA-N 359.357 2.280 0 1 FEAF CC=C1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@@H]1O 2356725261 BERYBAUEDCRDKM-MWNMOJJZSA-N 350.418 2.313 0 1 FEAF CC(C)CCN1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@H]1COCCN12 2356737258 GRERFZZQNIYTDZ-IBGZPJMESA-N 372.513 2.335 0 1 FEAF C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](O)C4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(C)O 2356820814 FOLOIUYKGZEVJY-WJPKIQIJSA-N 354.462 2.095 0 1 FEAF CC(C)CC(=O)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C)CN1CCCCC1 25968246 OPGQTAQGNTWVTA-HOTGVXAUSA-N 352.475 2.010 0 1 FEAF CSCC(=O)N[C@H]1CCN2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C1 3840334 UGFWLBJEQRTQAA-AAEUAGOBSA-N 367.858 2.119 0 1 FEAF biogenic COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1cc(=O)oc2ccccc12 95572609 ZZQUGEBYEPDCHR-GXTWGEPZSA-N 361.394 2.264 0 1 FEAF CC1=C2C[C@H](O)C=C3C(=O)OC[C@]32C=CC2=C1[C@H](c1ccoc1)OC2=O 85843918 OHRYPZSDRFBQMN-JTBRQZTESA-N 352.342 2.295 0 1 FEAF biogenic O=C(N[C@H](c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1)c1ccccc1 587222412 KPFQDVNMYRXPIT-CYBMUJFWSA-N 361.361 2.284 0 1 FEAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cncc(Cl)c2[nH]1 587226657 DOVHBMYYRRIKMY-UHFFFAOYSA-N 373.800 2.154 0 1 FEAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587091688 HSSXNDSOMQMWEI-NSHDSACASA-N 369.391 2.444 0 1 FEAF CN(C)CCOc1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 587250451 UTFYXWSUWMFCRO-UHFFFAOYSA-N 354.410 2.375 0 1 FEAF CN(CC(=O)O)c1ncc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)cn1 963108281 ONMQDTDYTYNGAK-CRAIPNDOSA-N 356.401 2.246 0 1 FEAF Cc1c(O)ccc2c1[C@@H](c1c3cccc(C=O)c3nn1C)N[C@H](C(=O)O)C2 963529925 ZULYVKSCLRKTLO-KSSFIOAISA-N 365.389 2.088 0 1 FEAF CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4cc[nH]n4)cc23)CC[C@]1(C)N 1772637267 JZTQMNBRZRSEFE-BEFAXECRSA-N 367.457 2.141 0 1 FEAF COc1cccc(-c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)cc1=O 11525223 DJMIUCKLXPTAJU-QGZVFWFLSA-N 368.389 2.184 0 1 FEAF CC(=O)[C@H]1[C@@H](c2ccccc2OC(F)F)NC(=O)N[C@@]1(O)C(F)(F)F 12377548 DSGBODYJDMNJDK-CWSCBRNRSA-N 368.258 2.098 0 1 FEAF Cn1cc(C(N)=O)c(Nc2ccc(Br)cc2F)c(F)c1=O 13679348 LNCZLEZOTUBASE-UHFFFAOYSA-N 358.142 2.269 0 1 FEAF COCc1cc(C[C@H]2CNCC[C@H]2CC(=O)Nc2cccc(O)c2)no1 15673433 LPMGAJDHLRZDGB-KBPBESRZSA-N 359.426 2.324 0 1 FEAF biogenic O=C(O)[C@H](Cc1ccccc1)N1C(=O)N/C(=C\c2ccc(F)cc2)C1=O 1619979 XFRSTFFUQQIQMO-IZNAZMGOSA-N 354.337 2.414 0 1 FEAF O=C(NCCO)c1cccc(-c2ccc3ncc(-c4cccnc4)n3n2)c1 1857587714 AVTQHYCGPUHXSX-UHFFFAOYSA-N 359.389 2.180 0 1 FEAF NS(=O)(=O)c1ccc(-n2ncc3c2C[C@H](c2ccccc2)CC3=O)cc1 1857631557 OPUYATOWSQLHRR-AWEZNQCLSA-N 367.430 2.432 0 1 FEAF O=C(O)c1cc(=O)c2ccc(OC[C@@H](O)COc3ccccc3)cc2o1 39213231 ZOTHFQLTWSVFQM-LBPRGKRZSA-N 356.330 2.310 0 1 FEAF O=C(NC[C@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773847 AVPBVJSHCAIXSN-ZDUSSCGKSA-N 362.382 2.292 0 1 FEAF CCN(CC)S(=O)(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1 1326834 YVLAGEOJHFBWSB-UHFFFAOYSA-N 360.443 2.207 0 3 FEAF CC=C1CN(C)C(=O)[C@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 2356411542 SBJLRAOPYMKDRU-BTYIYWSLSA-N 366.417 2.491 0 1 FEAF CC[C@@H](C)c1cc(C(=O)O)c(=O)n2cc(F)c(N3CC[C@H](N)C3)c(C)c12 6411882 NDDFFKJPBNKNNI-PWSUYJOCSA-N 361.417 2.496 0 1 FEAF CN(C(=O)CCCOc1ccc2c(c1)CN1CC(=O)N=C1N2)C1CCCC1 26939005 DPIFDWPCJCPXCY-UHFFFAOYSA-N 370.453 2.370 0 1 FEAF O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(-c2cnco2)cc1 114605263 XIFVPCQCIMKQSR-UHFFFAOYSA-N 368.378 2.323 0 1 FEAF N[C@H]1NC=Nc2c(CN3C[C@@H](O)[C@@H](CSC4CCCCC4)C3)c[nH]c21 28467590 LZLVASUZAHQVLG-SIIHOXLZSA-N 363.531 2.094 0 1 FEAF CCO[C@@H]1CO[C@@H]2Oc3cc(OC)c4c5c(c(=O)oc4c3[C@H]12)C(=O)CC5 2356717864 XVGSZYUKPBGPPW-RNRVQEDPSA-N 358.346 2.168 0 1 FEAF CC1(C)C[C@H](O)C[C@]2(C)C(CCC3=CC(=O)OC3)=C(CO)C[C@@H](O)[C@H]12 13329946 AFDSRXAFGCVZJA-JYJIFUJCSA-N 350.455 2.107 0 1 FEAF biogenic CC(=O)Nc1cccc(-c2csc(NCC(=O)NC[C@@H]3CCCO3)n2)c1 82193707 RUCSGMJGABAVCF-HNNXBMFYSA-N 374.466 2.476 0 1 FEAF CCc1nc(C(=O)N2CCC[C@@H](C(=O)OCC(C)(C)N(C)C)C2)cs1 82069655 MTACJOQOQNMOHV-CYBMUJFWSA-N 367.515 2.441 0 1 FEAF O[C@@]12CO[C@H](c3ccc4c(c3)OCO4)[C@H]1CO[C@@H]2c1ccc2c(c1)OCO2 82123262 CAQZFLPWHBKTTR-AQWZQNETSA-N 370.357 2.334 0 1 FEAF CN(Cc1nc2cc3c(cc2[nH]1)OCO3)S(=O)(=O)c1ccc(F)cc1 587170928 VCRDPEJAXBJCRL-UHFFFAOYSA-N 363.370 2.251 0 1 FEAF O=C(COc1ccc2c(c1)OCO2)n1ncc2ccc(Cl)cc2c1=O 587652311 OWNWSAZOEITYLE-UHFFFAOYSA-N 358.737 2.498 0 1 FEAF C#CCCCn1c(Sc2cccc(C(=O)NO)c2)nc2c(N)ncnc21 166038012 FIDCVEHRNMFSFN-UHFFFAOYSA-N 368.422 2.092 0 1 FEAF CC=CCCC(=O)O[C@@H]1C=CC2=C[C@]3(O)OC(=O)C(CO)=C3C[C@@]2(C)[C@H]1C 2356327656 GDSMAUZWNNFZJH-IGKBFHKKSA-N 374.433 2.331 0 1 FEAF CO[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@H]2C5 100707048 BWJYOOPVFMQZNN-LRGNLBRXSA-N 355.434 2.180 0 1 FEAF COCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 20580954 FGYCPYZFGWNOMD-UHFFFAOYSA-N 356.347 2.347 0 1 FEAF CCCCOc1ccc2c(c1)[C@H](N(C)S(C)(=O)=O)[C@H](O)C(C)(C)O2 27215988 ICXASNQRNZTLLB-HOTGVXAUSA-N 357.472 2.330 0 1 FEAF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@@](CO)(C(=O)OC)[C@H]1C[C@@H]24 2356545105 DSOCELULQRKOMA-IAECCPNBSA-N 352.434 2.216 0 1 FEAF O=C(O)CCCC=CC[C@@H]1C(=O)C[C@H](O)[C@@H]1C=C[C@H](O)CCCCCO 2356698026 AZIGEYVZEVXWAD-NTDBWNAOSA-N 368.470 2.224 0 1 FEAF C[C@H]1CC[C@H]2[C@H]3CC(=O)[C@H](Cn4c(=O)[nH]c5c(=O)[nH]cnc54)[C@@]13CC2(C)C 35846809 BHCRQXWMNOFEEK-OWPPUKJFSA-N 370.453 2.081 0 1 FEAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 95635857 BOUZNRKTKNKATH-XDQIJJAZSA-N 366.454 2.128 0 1 FEAF in-vitro C[C@H]1C(=O)[C@H](O)[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@]1(O)CCc1ccoc1 238761668 ACMWVFQSRHHUMC-DWAYXNRCSA-N 350.455 2.328 0 1 FEAF Cc1ccc(C(=O)N2CC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1 96110897 VYHSEIPGPRJNHM-XLIONFOSSA-N 353.422 2.375 0 1 FEAF CNC[C@H]1Oc2ncc(C3=CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95701457 DEJJSLUDOQSOIG-QWQRMKEZSA-N 359.470 2.088 0 1 FEAF NC[C@@]1(c2nc[nH]c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348381 RLCYIXPJSQIOFO-DNVCBOLYSA-N 368.368 2.050 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C(=O)OC)cc2[nH]1 587231338 NMJYAOWYTMZAOK-UONOGXRCSA-N 359.426 2.386 0 1 FEAF O=C(O)[C@H]1[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@H]1C(=O)O 587971159 VDCKNUQIRBZLFN-STNDOWJSSA-N 361.098 2.102 0 1 FEAF O=C1COC[C@@]2(C1)N[C@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963204082 VTKUDAAJTWXDBZ-IINYFYTJSA-N 363.719 2.142 0 1 FEAF C[C@@H]1[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CCOC1=O 2356317656 JSFDZACEGAEQSO-UZSUQENASA-N 350.455 2.393 0 1 FEAF Nc1c(Cl)cc(C(=O)N[C@@H]2CCN3CCC[C@@H]2C3)c2nsnc12 27523753 UMHNYWDDWJWNHJ-LDYMZIIASA-N 351.863 2.141 0 1 FEAF O=C(O)Cc1ccc2c(c1)C[C@H](CNS(=O)(=O)C1CCCCC1)C2 27329342 RQIRBWPBMFOGNR-CQSZACIVSA-N 351.468 2.281 0 1 FEAF COc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H](CC(C)(C)O)C[C@H]4[C@H](C2)N(C)CC[C@@]341 102220726 BTDCAZOVYZIULV-BHYDYZNZSA-N 373.493 2.112 0 1 FEAF CCOCCOCC(=O)N1CCS[C@@H]1COc1ccccc1OC 27559882 HISDPQUWKOTQND-QGZVFWFLSA-N 355.456 2.029 0 1 FEAF O=C(O)c1cc2n(n1)[C@@H](C(=O)O)Nc1cc(Cl)c(-n3ccnc3)cc1-2 27326273 SEAKCYNFQSTCLA-ZDUSSCGKSA-N 359.729 2.096 0 1 FEAF C[C@H](C=C[C@H](CO)C(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)O[C@@H]3CC[C@@]12C 2356495781 DPLUBJMWMWJWLE-NMSUCKIZSA-N 364.482 2.351 0 1 FEAF CC1(C)Oc2cc(O)c3c(c2[C@H](O)[C@@H]1O)OC(c1ccc(O)cc1)=C[C@H]3O 2356606249 ISGAAPAIOWRAOZ-RDBACFOTSA-N 372.373 2.130 0 1 FEAF CCC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=CCCCC=C[C@@H](O)C1=CC=CCC1 2356725617 RDGMNPKVEAUIJA-VIYGXFRKSA-N 366.498 2.150 0 1 FEAF COC1=CC2=C(O)C(=O)N3[C]([C@@H]4CCCN4C(=O)c4ccccc43)N2C=C1 2356844080 AIKNYQZXGCISDQ-HNNXBMFYSA-N 364.381 2.270 0 1 FEAF COc1ccc2nc(C)cc(N3C[C@H](CNC(=O)C4CC4)OC3=O)c2c1 72119000 HKUDWHCDPNNLCH-AWEZNQCLSA-N 355.394 2.403 0 1 FEAF CN(C)c1ccccc1-c1cccc2[nH]c(C(=O)NC[C@@H](N)C(=O)O)cc12 43070435 JRBWIGUESNCWLI-OAHLLOKOSA-N 366.421 2.043 0 1 FEAF COCCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 82209661 YZLYETRTNDWXCO-INIZCTEOSA-N 372.469 2.129 0 1 FEAF C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@@H]1CN(C)C 95711586 VZKDZVNXGYLRRI-QMTMVMCOSA-N 373.497 2.431 0 1 FEAF CCNC(=O)OCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1 95572904 WYJACLVBUWRJLU-HNNXBMFYSA-N 360.414 2.156 0 1 FEAF NCCNC(=O)c1ccc(OC2[C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)cc1 473113526 JDFJNFZFMUBTOW-FGKPJDCPSA-N 358.438 2.033 0 1 FEAF C[C@@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592490 HQVDWKFUYZGRDE-PXNSSMCTSA-N 355.390 2.445 0 1 FEAF COc1cc2c3c(c1)O[C@](c1ccc(O)c(OC)c1)([C@@H](C)O)[C@@H](C2)C3=O 587445031 YVVGXOYKIBBVSK-SAUNLDPVSA-N 356.374 2.433 0 1 FEAF CN(C)C(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 587128104 GQYYWNADLZWUGN-UHFFFAOYSA-N 357.324 2.307 0 1 FEAF CCOc1ccc(O)n1-c1nn(-c2ncccn2)cc1Br 587940283 OHLHNZZDHIXSKD-UHFFFAOYSA-N 350.176 2.320 0 1 FEAF OCCOCCN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 13861667 VQBRKEKZVBEEOP-UHFFFAOYSA-N 365.477 2.296 0 1 FEAF COC(=O)[C@@]1(O)C[C@]2(C(C)=O)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 14829323 VLNTZJVJKUHBHN-GIVPXCGWSA-N 368.433 2.132 0 1 FEAF CCCC[C@]1(CO)C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)[C@@H]1O 169289995 BYBAPAFOQSJYFM-PGVONUBFSA-N 373.493 2.201 0 1 FEAF FC(F)(F)c1cccc(N=c2nc(N3CCOCC3)c3nc[nH]c3[nH]2)c1 1857636166 ACVOZFBKXNGDND-UHFFFAOYSA-N 364.331 2.374 0 1 FEAF COc1ccc([C@@H]2OC[C@@]3(O)[C@H]2CO[C@@H]3c2ccc(OC)c(O)c2)cc1O 2356456572 JNNJGAAXLBQGKG-YGHPHNMRSA-N 374.389 2.305 0 1 FEAF O=C(O)C[C@H]1OCC=C2CN3CC[C@]45c6ccccc6N[C@@H]4[C@H]1[C@H]2C[C@H]35 6080201 SQIFUSVCLFHGOI-NFIAEPFYSA-N 352.434 2.242 0 1 FEAF CCOC(=O)[C@@H](OC(=O)c1ccc(OC)cc1)N1CC(CC)(CC)C1=O 28468075 AVLKDBFDFSCSGF-OAHLLOKOSA-N 363.410 2.390 0 1 FEAF CCCCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 100638249 AVMYCGJNQUPEPM-RYLXDESZSA-N 354.450 2.193 0 1 FEAF CCO[C@@H]1CO[C@H]2Oc3cc(OC)c4c5c(c(=O)oc4c3[C@H]12)C(=O)CC5 2356717863 XVGSZYUKPBGPPW-GFJSAUFNSA-N 358.346 2.168 0 1 FEAF CN(C)CCOC(=O)CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 82084985 MWLUTVRNLDZIOK-UHFFFAOYSA-N 367.405 2.329 0 1 FEAF C[C@H](Cc1cnn(-c2ccc(O)cn2)c1)C(=O)NC1=C(C(=O)O)CCCC1 49036844 VJKCUAUQIKBMGF-GFCCVEGCSA-N 370.409 2.180 0 1 FEAF COc1ccc(OC)c(CCNc2nc(N3CCN(C)CC3)ncc2C)c1 82202782 DPDYGPGVHINCBE-UHFFFAOYSA-N 371.485 2.209 0 1 FEAF O=C(O)/C(Br)=C(/Br)I 140064677 AORLFLUMZXGBEY-OWOJBTEDSA-N 355.751 2.465 0 1 FEAF C[C@]1(C(=O)O)C[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@@]4(O)CO 238777378 KYHGWSNWELNMFW-VZJGTYMXSA-N 352.471 2.178 0 1 FEAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(O)nc(O)n1 587661981 VQLSRTRCOOXCAC-UHFFFAOYSA-N 350.309 2.393 0 1 FEAF CCOC(=O)C[C@]1(c2nccn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432001 SSZIHJAFPIFNLW-YJYMSZOUSA-N 356.378 2.025 0 1 FEAF CCc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)n1 586966190 ARCMDMQIUGJFQF-UHFFFAOYSA-N 357.395 2.244 0 1 FEAF COc1cc(OC)c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2c1 586930046 MXNXLYFKARIPEV-UHFFFAOYSA-N 361.423 2.013 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CN2CCN(C)CC2)N1 587767512 REKCBPGNDFJHRP-FZMZJTMJSA-N 356.283 2.411 0 1 FEAF Cn1cc(-c2cc3nccnc3c(OC[C@@H]3CNCC(F)(F)C3)n2)cn1 203767683 WZFYELPFTNDMJW-NSHDSACASA-N 360.368 2.049 0 1 FEAF Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1CC1CCCC1 13758498 PYXYMPSJOTXCCY-UHFFFAOYSA-N 358.394 2.112 0 1 FEAF O=C1c2ccccc2C(=O)N1CCN1CCN(c2cc(F)cc(F)c2)CC1 169335043 TUVWNSPSSUFMFS-UHFFFAOYSA-N 371.387 2.383 0 1 FEAF Cc1cnc(NC(=O)c2cc(CNC(=O)C(C)(C)CO)ccc2Cl)[nH]1 1857756506 WHYNACABYXRAAF-UHFFFAOYSA-N 364.833 2.259 0 1 FEAF COc1ccc([C@H]2Oc3cc(O)c(OC)c(O)c3C(=O)[C@@H]2OC)cc1O 2356420469 CCWSQXBMKLEALQ-AEFFLSMTSA-N 362.334 2.152 0 1 FEAF COc1ccc(NC(=O)c2nnn(Cc3ccccc3C)c2N)c(OC)c1 4933839 KQBIAZYBMONRTO-UHFFFAOYSA-N 367.409 2.487 0 1 FEAF CCCn1c(=O)c2sccc2n2c(CCCC(=O)N3CCCC3)nnc12 6868466 CHSNMEWMEZUYRV-UHFFFAOYSA-N 373.482 2.461 0 1 FEAF COC(=O)[C@@H]1CC2(CN1S(=O)(=O)c1ccc(C)cc1)SCCS2 103249730 LFMYVGWTTJIYGD-ZDUSSCGKSA-N 373.521 2.107 0 1 FEAF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccc(N)cn1 27316824 YVZSSVYSNJBXEJ-HNNXBMFYSA-N 372.450 2.073 0 1 FEAF CO[C@@H]1C[C@]2(C)CC[C@]3(C)[C@H](C[C@H]4O[C@@]3(O)[C@@H](O)[C@@H]4CO)C2=C1C(C)C 2356837837 LNOVVADOOMBUOP-IISSGJPHSA-N 366.498 2.241 0 1 FEAF NC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCCO4)s2)CC1 66148307 SOEKKIGHJIUXSS-UHFFFAOYSA-N 360.439 2.068 0 1 FEAF N=C(N)c1ccc(OCCSCCOc2ccc(C(=N)N)cc2)cc1 73224726 GSACXVGDHHQCEA-UHFFFAOYSA-N 358.467 2.446 0 1 FEAF Cc1cc([C@]2(c3cccc(-c4cncnc4)c3)NC(=N)N(C)C2=O)cc(C)n1 34804852 AZEJJBDMXZISKY-NRFANRHFSA-N 372.432 2.395 0 1 FEAF CC(=O)Nc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@H](C)CN3)cc1 82211366 KEWHFTZSFDXEIV-GFCCVEGCSA-N 371.441 2.148 0 1 FEAF CCC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)/C=C\CCC/C=C/[C@@H](O)C1=CC=CCC1 238764955 RDGMNPKVEAUIJA-ZFJZNVKFSA-N 366.498 2.150 0 1 FEAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCO)cn1 142017186 CXLGRDWQPOPFMB-UHFFFAOYSA-N 353.378 2.346 0 1 FEAF CN1CCc2nc(N3CCN(C)CC3)nc(Nc3ccc(F)cc3)c2CC1 96928126 YKQFMPGEPKMDFN-UHFFFAOYSA-N 370.476 2.142 0 1 FEAF COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2c(C(=O)O)cccc12 587639039 ZCVXWMXXISQNCL-UHFFFAOYSA-N 355.350 2.239 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)nc2O)N1 587776988 ZWEOQBYOKOJAAY-SREIQFSDSA-N 354.179 2.413 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCN(C)CC4)s1)[C@@H](C2)C3=O 587449577 BSGZIUZQACQPBB-SCLBCKFNSA-N 371.462 2.392 0 1 FEAF Nc1nccc(C2=C[C@H](CNc3ncc(C(F)(F)F)cc3Cl)ON2)n1 957626662 ITVOUMHHLNNLBE-MRVPVSSYSA-N 372.738 2.482 0 1 FEAF CC(C)C[C@H](CO)N1CCN(C(=O)c2ccc(Cl)cc2)CCC1=O 13111154 QBVIVPWKJQMVMX-MRXNPFEDSA-N 352.862 2.422 0 3 FEAF Cc1nc([C@H]2CCCCN2C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)no1 169707516 SYUUXAROKMQQDY-SBJJXXPASA-N 367.409 2.425 0 1 FEAF CCOC(=O)c1ccc(Nc2cc(NC(=O)CCC(=O)O)ncn2)cc1 1857774821 XOBYTNHNLSSMKA-UHFFFAOYSA-N 358.354 2.200 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3[C@@H]3OC[C@H]1[C@]23C 2356481634 WLEGVCDLXXAIOU-QPRFUBIKSA-N 362.422 2.261 0 1 FEAF Cc1ccc(CCNC(=O)c2noc3ncnc(N4CCCC4)c23)cc1 9688032 CHCKNIMXSBYZRX-UHFFFAOYSA-N 351.410 2.499 0 1 FEAF CC(C)Oc1ccc(Cc2c(O)nc(NCCCN(C)C)[nH]c2=O)cc1 27155162 YOHZIHNJLSLWEN-UHFFFAOYSA-N 360.458 2.217 0 3 FEAF COc1cccc(C)c1NC(=O)CN1CCC(c2cccc[n+]2[O-])CC1 28604402 YIKZHUAXGQSKCC-UHFFFAOYSA-N 355.438 2.455 0 1 FEAF CC1=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2C(OC(=O)[C@](C)(O)[C@H](C)O)=C1 2356535473 AONXWGJPUIDGFP-XKKCUXDKSA-N 364.438 2.409 0 1 FEAF CC(=O)N1CCN(c2nc(N)nc3nc(-c4ccc(F)cc4)sc23)CC1 66263576 DOZDXSFNRJRIOF-UHFFFAOYSA-N 372.429 2.143 0 1 FEAF CO[C@@H]1OC[C@@]2(CCC(=CCO)CO)[C@H](C)C[C@H](O)[C@@]13C(C)=CCC[C@H]23 2356847652 OYOCQFXSNOJORV-RTJUMIHMSA-N 366.498 2.410 0 1 FEAF C[C@@H](Oc1ccc([S@](C)=O)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 38929928 OEZIOTVGUGZTPR-JPAAAVGJSA-N 351.468 2.360 0 1 FEAF N[C@@H](Cc1ccc(O)cc1)C(=O)NC12C[C@H]3C[C@H](CC(CC(=O)O)(C3)C1)C2 40566735 BIXHAIBPQDHKQP-FJBOLNLJSA-N 372.465 2.192 0 1 FEAF NC(=O)c1ccc(N2CCN(c3cccc(F)c3)CC2)c2cncnc12 144578518 YJPWBCHXZLGWCL-UHFFFAOYSA-N 351.385 2.194 0 1 FEAF CCS(=O)(=O)Nc1cccc(Cc2nn(C(C)C)c3ncnc(N)c23)c1 95921263 CZDNNNYBOADUFI-UHFFFAOYSA-N 374.470 2.342 0 1 FEAF in-vitro NC(=O)c1ccc2[nH]c3ncnc(N(CCO)Cc4ccccc4)c3c2c1 653671428 SORGSZOLIKYYDL-UHFFFAOYSA-N 361.405 2.209 0 1 FEAF Nc1nc(O)c2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2n1 587173213 SZKBONQSCQUDFB-UHFFFAOYSA-N 370.319 2.236 0 1 FEAF Nc1ncnc2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc12 587003058 JQBMNBNCBFKDAX-SSDOTTSWSA-N 374.198 2.333 0 1 FEAF COc1ccc2nc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)sc2c1 587035527 RKFGYOXKMRUXMT-UHFFFAOYSA-N 360.420 2.496 0 1 FEAF O=C(Cn1ncc(N2CCCCC2)cc1=O)N[C@@H]1CCc2ccccc21 19794988 VMJPJHZUAAZERM-GOSISDBHSA-N 352.438 2.037 0 1 FEAF NC(=O)c1coc([C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2Cc2ccccc2CCC(=O)O)n1 169304376 FOBQHMSFYXBCHJ-ZDRJDWQYSA-N 370.405 2.294 0 1 FEAF Cn1cc(C2=CCOCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21 1857551451 SPWVCHPQWOLPGW-UHFFFAOYSA-N 360.435 2.204 0 1 FEAF C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SC[C@@H](C)O)CC(=O)O1 253640240 JSZMATWNNJCEPE-AULAEIDCSA-N 372.527 2.279 0 1 FEAF CNCCNC[C@@H]1CCC[C@]12C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)CCC[C@@]1(O)C2 2356365434 MGICYJJSAWMNGJ-QJSKAATBSA-N 350.547 2.294 0 1 FEAF O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(-c2ccc(F)cc2)s1 103284967 JYSKDJBOUWJDHP-QMMMGPOBSA-N 352.372 2.024 0 1 FEAF COC(=O)Cn1ncc(N2[C@@H](C)[C@@H]3C[C@@H]2CC(C)(C)C3)c(Cl)c1=O 101947739 XGBLREWZNDNQQS-QJPTWQEYSA-N 353.850 2.473 0 1 FEAF COC(=O)Cc1cc(O)n2nc(NCc3ccc(C(C)C)cc3)nc2n1 21178295 HMTWACZYRPBEED-UHFFFAOYSA-N 355.398 2.281 0 1 FEAF COc1cccc(OC)c1OC(=O)[C@H]1CN(C)CCN1Cc1ccccc1 29570486 IVIXQAHJSNRIQB-QGZVFWFLSA-N 370.449 2.425 0 1 FEAF CC(=O)O[C@H](C)[C@H]1c2c(c(O)c3c(O)cccc3c2O)C(=O)C[C@]1(C)O 2356789821 DTIDZJSRRNTFKE-HATLYILVSA-N 360.362 2.329 0 1 FEAF CC(C)(O)[C@H](O)Cc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O 14819511 ZTEAOMCBLMDBDX-MRXNPFEDSA-N 372.373 2.251 0 1 FEAF biogenic Cc1c2c(nn1C)C(=O)N(c1ccc(=O)n(C)n1)[C@H]2c1ccc(Cl)cc1 220381567 FRNOWHXMMCGFDO-KRWDZBQOSA-N 369.812 2.225 0 1 FEAF C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211464 FFISQMMEOAJSLY-GFCCVEGCSA-N 370.384 2.389 0 1 FEAF O=C(Nc1ccn[nH]1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 45496727 RZQJFUXCPKGHDT-UHFFFAOYSA-N 355.427 2.282 0 1 FEAF CCOC(=O)CN1CCN(c2ncc(C)c(NC3CCCCC3)n2)CC1 82203390 UHQAWBYDLRREDW-UHFFFAOYSA-N 361.490 2.215 0 1 FEAF COC(=O)C1=C2Nc3c(OC)cccc3[C@@]23CCN2C[C@]4(O[C@@H]4C)[C@@H]1C[C@H]23 85567364 OMNODBHMNRZDEA-DGQIJVDISA-N 368.433 2.051 0 1 FEAF CCc1csc(N2[C@H](CNCCOC)[C@H](c3ccccc3)[C@@H]2CO)n1 95895873 QLCYONVZQZLORY-SQNIBIBYSA-N 361.511 2.275 0 1 FEAF COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 257799591 ZTHVHELPCLGXHF-QBEOKMQTSA-N 364.445 2.101 0 3 FEAF in-vitro O=C(O)c1ccnc(-c2cn([C@@H]3CCN(C(=O)c4ccccc4)C3)nn2)c1 473136337 QAMWHKMCPLOTNR-OAHLLOKOSA-N 363.377 2.126 0 1 FEAF COc1cc(OC)cc(-c2cn(CC(=O)NCc3ccccc3)nn2)c1 473151268 OWNWPUJRCYRESV-UHFFFAOYSA-N 352.394 2.279 0 1 FEAF COc1ccc2c(c1)CC[C@@](N)(c1nc3c(S)nc(S)nc3[nH]1)C2 587246583 HLPLUNGVTBBJJA-INIZCTEOSA-N 359.480 2.282 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586901895 IWYYLMMLXZLFNJ-RHSMWYFYSA-N 357.435 2.382 0 1 FEAF O=C(N[C@@H]1CC(=O)N(CC2CCCCC2)C1)c1scc2c1OCCO2 12746539 VMMNLHOSYKQVKG-CYBMUJFWSA-N 364.467 2.430 0 1 FEAF CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2c1CCC2 1857561908 RLUFOQDZIYYPIM-UHFFFAOYSA-N 353.513 2.358 0 1 FEAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N2CCOCC2)cc1 4045551 TXVWEPLLCZJYPA-IEBWSBKVSA-N 369.421 2.296 0 1 FEAF COc1cc(Cl)nc(NC(=S)NC(=O)c2cccnc2Cl)n1 28565248 CLMINGVFBLJBNN-UHFFFAOYSA-N 358.210 2.314 0 1 FEAF COc1cc2cc(CO)c(CO)cc2c([C@@H]2C=CCC(=O)N2C)c1OC 26649701 BBPVPWNUFRIWDB-INIZCTEOSA-N 357.406 2.301 0 1 FEAF C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)ccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@H]5C(=O)OC 140363775 IRMHHGGGRPOHRY-RFAVQBGTSA-N 368.433 2.254 0 1 FEAF CC(=O)N1c2ccccc2[C@]23CCN(C)C[C@@H]4[C@H](C)OC[C@@H]([C@H]12)[C@H]4CC3=O 257417205 FMZMLKGLGADCPQ-WFIWGOQUSA-N 368.477 2.235 0 1 FEAF O=C1O[C@@H]([C@H]2NCCc3cc4c(cc32)OCO4)c2ccc3c(c21)OCO3 39094516 YIQVPNZGGSTDKI-DLBZAZTESA-N 353.330 2.243 0 1 FEAF biogenic C[C@@]1(CC[C@H](N)C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335229 KZPUSPWXZRWXAF-KNBMTAEXSA-N 372.396 2.242 0 1 FEAF CCCCNS(=O)(=O)c1ccc2nc([C@H](NC)c3cccnc3)[nH]c2c1 587226800 SZYWXUMPBPWSKQ-QGZVFWFLSA-N 373.482 2.345 0 1 FEAF Oc1nc(S)nc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 587120268 VFFNFSLZXXCWIJ-UHFFFAOYSA-N 370.360 2.490 0 1 FEAF CC(C)(C)OC(=O)N1CC2(CCc3nc4nc(O)nc(O)c4cc3C2)C1 587556450 AXFULTFQIQLHPS-UHFFFAOYSA-N 358.398 2.162 0 1 FEAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2c1 586909788 MUEJCSFEFYSWGI-GFCCVEGCSA-N 365.455 2.403 0 1 FEAF Ic1nccnc1-c1nc2cc3c(cc2[nH]1)OCO3 587186706 PQQACJSLCVNFME-UHFFFAOYSA-N 366.118 2.353 0 1 FEAF COC1=C[C@@H](OC)CC(Nc2nccc(-c3cnn4ncccc34)n2)=C1 14945971 GWHGOOOITBDPQU-AWEZNQCLSA-N 350.382 2.431 0 1 FEAF Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)N3CCCC[C@H]3C)c2C)n1 16849636 QVFFBTJHBUQORW-CYBMUJFWSA-N 357.458 2.214 0 1 FEAF Cc1cccc(C)c1NC(=O)C1(NC(=O)[C@@H]2CCC(=O)N2)CCCCC1 8684171 GJVIITRSWDHSAI-HNNXBMFYSA-N 357.454 2.340 0 3 FEAF COC(=O)[C@@]12C[C@@H]3C[C@H](CCO)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 102228548 FRCVRUHRFLXLAI-KSWFMABOSA-N 354.450 2.228 0 1 FEAF O=C1N=C(O)C[C@@]12c1ccccc1S(=O)(=O)N2Cc1ccc(F)cc1 27523835 SFTMWIDFQUQWAL-QGZVFWFLSA-N 360.366 2.112 0 1 FEAF CN1CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)C[C@H]3CCC[C@H]3N2C1 103203412 UGQGQBZQTKXLOQ-ZIAGYGMSSA-N 363.849 2.370 0 1 FEAF CN[C@@H](C)[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27997541 SARMVEMODGTEEG-WDEREUQCSA-N 374.416 2.003 0 1 FEAF CCn1cc(NC(=O)Cn2cc(-c3ncnc4scc(C)c34)cn2)nn1 23158934 IKVLANJBJUDVSL-UHFFFAOYSA-N 368.426 2.113 0 1 FEAF CC=C1CN2CC[C@]34c5ccccc5N5C(=O)[C@H](OC)OC[C@@H]([C@H]1C[C@@H]23)[C@@H]54 2356720749 IMOHOYNAXXYHHX-MWQHCLGASA-N 366.461 2.313 0 1 FEAF Cc1ccc(-c2nc(C(=O)NCC(=O)OCCCCN(C)C)co2)cc1 82072269 QATFHIULQNRBDN-UHFFFAOYSA-N 359.426 2.265 0 1 FEAF CC(=O)Oc1ccccc1C(=O)OCOC(=O)CCCCCO[N+](=O)[O-] 43075390 GBAOVGJJDQYFAK-UHFFFAOYSA-N 369.326 2.038 0 1 FEAF CC(=O)NC[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(C)=O 95895104 LKMXYQNMWFUTMA-NJYVYQBISA-N 370.424 2.304 0 1 FEAF CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@@H]1CC(=O)NCCN1CCCC1 25427782 YMPQJVLWFWDGQC-QZTJIDSGSA-N 372.513 2.172 0 1 FEAF biogenic C[C@@H]1CC(=O)[C@]23CO[C@@H]4O[C@H](c5ccoc5)C[C@]14[C@H]2CCC[C@]3(O)CO 238752157 RJXNGHOTQUVUEG-UMHHKPSCSA-N 362.422 2.203 0 1 FEAF CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@@H]4[C@H](C)OC[C@@H]([C@H]4CC2=O)[C@@H]13 257417204 FMZMLKGLGADCPQ-ROKSQKIXSA-N 368.477 2.235 0 1 FEAF O=C(NCCCCNC(=O)c1cc(-c2ccccc2)on1)c1cocn1 473088999 PZTYDWWAVWTIJY-UHFFFAOYSA-N 354.366 2.270 0 1 FEAF COc1ccc(OC)c(N(C)c2ccc3nnc(-c4cnn(C)c4)n3n2)c1 299824370 BDBVJRYWOOISHQ-UHFFFAOYSA-N 365.397 2.310 0 1 FEAF COC(=O)[C@](C)(O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810222 UFELMDONYOGOSD-BKQRNIBNSA-N 360.223 2.262 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C=C(C)N(C[C@H]4CCCO4)C(=O)C1)[C@@H](C2)C3=O 587434843 CIVFCVWMPYVYSY-IVZHQMGZSA-N 369.417 2.497 0 1 FEAF O=C1CC=C(c2nc3c(Cl)ncnc3[nH]2)NN1Cc1ccc(F)cc1 587164388 UNSVKXMABWDSLY-UHFFFAOYSA-N 358.764 2.423 0 1 FEAF Nc1cnc([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963177510 IQKMRTWRCTZELM-GWCFXTLKSA-N 372.734 2.419 0 1 FEAF N[C@@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-n5ccnc5)cc34)n2)C1 205260372 CRTGBXQFOHCYKB-CYBMUJFWSA-N 360.425 2.133 0 1 FEAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCC4CCNCC4)c(=O)n1c23 1857621734 PVJCSGRBHJBGDF-LLVKDONJSA-N 373.428 2.083 0 1 FEAF CN1CCc2c(sc(NC(=O)c3ccc(N(C)C)cc3)c2C(N)=O)C1 4059374 KYGLXKHCSZUCMZ-UHFFFAOYSA-N 358.467 2.153 0 1 FEAF CC(=CCCC(=CCO)CO)CCC[C@@H](CO)CCCC(CO)CO 2356473476 HAJHXJNFUIBKOA-GOSISDBHSA-N 358.519 2.174 0 1 FEAF CCCNC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(F)c3)c21 6916339 YRYFQCIFHRXMDD-UHFFFAOYSA-N 356.401 2.469 0 1 FEAF COc1cccc(CNC(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)c1 101851958 ZYKFUACPZQAPFR-GJZGRUSLSA-N 359.422 2.250 0 1 FEAF COCCN1C(=O)[C@H]2C[C@@H](CN2C(=O)CC(C)(C)C)Oc2ccccc21 2356299515 JKCZVPAQIPRVAC-GOEBONIOSA-N 360.454 2.464 0 1 FEAF O=C(NC[C@@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1)C1CCCC1 2356300125 UIQMQKQIAXQWJI-OAHLLOKOSA-N 369.421 2.484 0 1 FEAF COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H](C(=O)O)[C@H]2CO)ccc1O 105036592 MAEVGGSLCDAPGW-IQUTYRLHSA-N 374.389 2.112 0 3 FEAF COc1ccc(CC[C@@H](C)NC[C@H](O)c2ccc(O)c(C(N)=O)c2)cc1 27743828 VIYGIYCGBJATKS-YJYMSZOUSA-N 358.438 2.144 0 1 FEAF Nc1nc(Nc2cccc(C(=O)O)c2)nn1C(=O)c1c(F)cccc1F 64559562 NDUDLSAXSTVEQW-UHFFFAOYSA-N 359.292 2.269 0 1 FEAF CCN(CC)C(=O)[C@H]1CCC[C@H](NC(=O)c2ccccc2)CN(C)C(=O)C1 2356669736 LTGDFRQNOPOHRS-ROUUACIJSA-N 373.497 2.302 0 1 FEAF O=C(c1ccc2c(c1)OCO2)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C1 74378183 JGFVYDKXVGTUDR-WMLDXEAASA-N 354.337 2.430 0 3 FEAF COc1cc2c(cc1O)[C@](O)(c1ccc3c(c1)OCO3)[C@@](C)(O)[C@H](C)C2 14435137 VTOAYOBQUFTMNL-WWGWPZPMSA-N 358.390 2.309 0 1 FEAF biogenic CCOC(=O)CCc1nc2nc(N3C[C@@H](C)C[C@@H](C)C3)ccc2[nH]c1=O 82232173 FUSVCEFMNOXPBM-BETUJISGSA-N 358.442 2.296 0 1 FEAF C[C@@H]1O[C@H](O[C@]2(C)CC[C@@H]3[C@H]([C@H]4[C@@H]2CC[C@H]4C)C3(C)C)[C@H](O)[C@@H](O)[C@@H]1O 255276241 WKAWIUQHIDXDJS-AGDZKXLQSA-N 368.514 2.318 0 1 FEAF Cc1ccc(-c2cnc(N3CCOCC3)c(Cn3cc(C=O)nn3)c2)cc1 299867573 YHCQNXYFFDXSDS-UHFFFAOYSA-N 363.421 2.346 0 1 FEAF Nc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c2c1Cc1ccccc1 653662268 BYSPIMDPTIQHMN-UHFFFAOYSA-N 357.377 2.134 0 1 FEAF CNS(=O)(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447567 CKKLEYRBAOMHED-RDTXWAMCSA-N 359.403 2.092 0 1 FEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(F)c(F)c2[nH]1 586957571 BSQQYJOKLUCHKB-HNNXBMFYSA-N 353.350 2.310 0 1 FEAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(=O)OC)ncc2[nH]1)C(C)C 586932647 IIUBVBCJLPSDKK-CQSZACIVSA-N 368.459 2.161 0 1 FEAF Nc1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2cn1 586969075 GFFHZJBVCYGYTN-UHFFFAOYSA-N 368.378 2.611 0 1 FEAF COc1ccc(Cl)cc1NC(=O)Cc1ccc2c(O)nc(O)nc2n1 587368286 GAJYXEZZROMEEQ-UHFFFAOYSA-N 360.757 2.279 0 1 FEAF CCOC(=O)[C@@]1(c2cnn(C)c2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962633259 KADAFBGHVHIZBR-ZUOKHONESA-N 373.453 2.120 0 1 FEAF COc1cc(OC)nc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)n1 962571037 OIDNDXGEWHRWCL-ADLMAVQZSA-N 359.426 2.477 0 1 FEAF CC1(C)OC[C@@H]([C@@H]2O[C@@H](OC(=O)c3ccccc3)[C@H]3OC(C)(C)O[C@@H]23)O1 95921442 JGSXTAWLEPFZIZ-BWJWTDLKSA-N 364.394 2.240 0 1 FEAF CC(=O)N1CCN(C[C@H](NCc2ccccn2)c2ccc(F)cc2)CC1 116238808 KNZIVPSOLPQKKD-FQEVSTJZSA-N 356.445 2.216 0 1 FEAF C[C@H]1CN(C(=O)CCc2nnc(-c3ccc4c(c3)OCO4)o2)C[C@@H](C)O1 11769536 VKBAYQXOPSMXBX-TXEJJXNPSA-N 359.382 2.034 0 1 FEAF COc1cc(C(=O)[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 14435794 RWAKIPFJHIOZAN-PJSUUKDQSA-N 374.389 2.294 0 1 FEAF in-vitro COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)cn1 169700506 HNEJUXXHBRXUKZ-UHFFFAOYSA-N 352.398 2.263 0 1 FEAF CCN(CC)CCCN1C(=O)C[C@@H]2C(=C(N)Oc3ccc(C)cc32)C1=O 206391365 SLODKPLQAOPKCZ-HNNXBMFYSA-N 357.454 2.132 0 3 FEAF Cn1cc(-c2cc(Cl)cc(S(=O)(=O)c3cnc(CN)s3)c2)cn1 1857607220 XTAMVYHLXKZXTB-UHFFFAOYSA-N 368.871 2.489 0 1 FEAF O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1 3956256 KTZIYIREMVFTED-SFHVURJKSA-N 358.467 2.158 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccc2ncccc2c1 4168433 WYGMMUBQAMBGGY-SLDRDFCHSA-N 361.401 2.371 0 1 FEAF CCc1nnc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccncc2)s1 23128553 VQXYNMJUHDUREC-CQSZACIVSA-N 355.427 2.398 0 1 FEAF COCCNC(=O)[C@H]1CCCN(C(=O)c2nc3ccccc3s2)CC1 61907929 FLLDJKJLPQRPHW-ZDUSSCGKSA-N 361.467 2.301 0 3 FEAF O=C1O[C@@H](O)[C@@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2 2356596613 OFNLHWUUBXCFIC-VBKZILBWSA-N 368.341 2.262 0 1 FEAF CCc1c(N)ncnc1N1CCN([C@@H](CN)c2ccc(Cl)cc2)CC1 217943543 WZQPDUPNWNYRGZ-INIZCTEOSA-N 360.893 2.097 0 1 FEAF C[C@]12C[C@H]3OC(=O)[C@H]4CCC[C@@](O[C@H]5[C@H](c6ccoc6)OC(=O)[C@H]51)(O2)[C@]43C 238786994 XSUYRBLFYMCFCL-LYZHNABCSA-N 374.389 2.500 0 1 FEAF CN1C(=O)[C@@]2(CC(C)(C)Sc3ccc(-c4cncnc4)cc32)N=C1N 95601218 IZLPDQBUWJIUNQ-SFHVURJKSA-N 353.451 2.400 0 1 FEAF CCOC(=O)CCOCCCOCCc1nc2cccc(OC)c2[nH]1 587567353 GRDFTAITHRFJPD-UHFFFAOYSA-N 350.415 2.491 0 1 FEAF NS(=O)(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587040974 LCAGKNBIQXPFKX-JKSUJKDBSA-N 374.491 2.157 0 1 FEAF CC(C)CNCc1cccc(C(=O)c2csc(S(N)(=O)=O)c2)c1 13727866 CQEBIGVQAVNPFP-UHFFFAOYSA-N 352.481 2.372 0 1 FEAF CCOC(=O)c1cnc(NN2C(=O)C=C(C)C2=O)nc1-c1cccs1 13818153 NGNCMEUTNOAPSY-UHFFFAOYSA-N 358.379 2.024 0 1 FEAF CCOc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1 1857646315 SDXOJFOPOUVVQD-UHFFFAOYSA-N 368.481 2.422 0 1 FEAF NC(=O)c1sc(N2CCOCC2)cc1OCCc1cccc(F)c1 1857754740 ZETIHQRHPLJWGM-UHFFFAOYSA-N 350.415 2.444 0 1 FEAF COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)O)c(O)n3n2)c1 8580342 AGUVQWISXANQKL-UHFFFAOYSA-N 357.366 2.445 0 1 FEAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(C2CC2)n1 2356289315 TVPGDCXMOCSFCS-BQJUDKOJSA-N 367.493 2.353 0 1 FEAF O=C(NCc1nn2c(-c3ccccc3O)nnc2s1)c1ccccc1 103214898 RNQZWKQPZBXDLJ-UHFFFAOYSA-N 351.391 2.488 0 1 FEAF COc1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)[C@@H](C(N)=O)C(C)=N3)cc1 56913772 MTBDOMHZZQSUJH-HOTGVXAUSA-N 362.393 2.146 0 1 FEAF NCCCC[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O 103178672 CQXBIOXUWYFBFR-HEWZJLJBSA-N 372.425 2.032 0 1 FEAF O=C(OC[C@@H]1COCS(=O)(=O)N1Cc1ccccc1)c1ccccc1 58590808 UFKLXUKOULQOLP-KRWDZBQOSA-N 361.419 2.032 0 1 FEAF CC(C)c1ccc([C@H]2C3=C(O)OCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 103685398 KRXONWWSHBBBHA-AWEZNQCLSA-N 367.405 2.225 0 1 FEAF COc1cc(/C=C/[C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@H]23)cc2c1OCO2 29124863 CKUAYJBDPWHSOJ-RYICTHJQSA-N 350.367 2.329 0 1 FEAF CCCn1c2ccccc2c2cnn(CC(=O)NC[C@@H]3CCCO3)c(=O)c21 20557127 CNODMFZATRBPAL-AWEZNQCLSA-N 368.437 2.056 0 1 FEAF CN1Cc2cc3c(cc2[C@@H]2[C@@H](O)Cc4cc5c(cc4[C@@H]21)OCO5)OCO3 14558352 UBPAYYJTLBZPSD-KPOBHBOGSA-N 353.374 2.331 0 1 FEAF biogenic O=P(O)(O)C(CNCc1cccc(-c2ccccc2)c1)P(=O)(O)O 40568306 RDIZDTPPXOTJIJ-UHFFFAOYSA-N 371.266 2.125 0 1 FEAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3nc(N(C)C)ncc3F)C2)cc1 149971791 UNSDPSQMIHXACV-LBPRGKRZSA-N 357.433 2.483 0 1 FEAF CSCC(=O)N[C@H]1CCN2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2C1 25184740 UGFWLBJEQRTQAA-WCQYABFASA-N 367.858 2.119 0 1 FEAF biogenic C[C@@H]1[C@H](O)C[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=C[C@@H](O)OC1=O 238730742 IPLDRSDUUNMIQC-APWPEURWSA-N 364.438 2.403 0 1 FEAF COc1c(-c2cc(=O)n3nc(C)c(-c4ccccn4)c3[nH]2)ccc2nn[nH]c12 653633834 ZDQIRQBYCHZKGO-UHFFFAOYSA-N 373.376 2.340 0 1 FEAF CCCc1sc(N)nc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587013807 YXNPZCATUUCKEY-UHFFFAOYSA-N 365.484 2.471 0 1 FEAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cnn(C)c1C)[C@@H](C2)C3=O 587432491 PKWWUTMEHMRIKL-WZHKBMRHSA-N 353.422 2.455 0 1 FEAF CC(=O)Nc1cccc(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 587242190 INLCRKBSZUYBFI-UHFFFAOYSA-N 372.450 2.362 0 1 FEAF O=C(CSc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1)N1CCCCC1 12732157 MITDMGBOXPOSLA-UHFFFAOYSA-N 369.450 2.165 0 3 FEAF CCC[C@H](O)C/C=C/[C@@H](O)CCCC(=O)OCCCCCNC(C)=O 1857578941 JMFZUNRAZVOAHJ-UXTUSRMKSA-N 357.491 2.475 0 1 FEAF CCC(=O)C[C@@]1(O)C(=O)c2c(O)cc(C)c3c(OC)cc(O)c(c23)C1=O 1857644745 WWHQLNVGPRHCTN-LJQANCHMSA-N 358.346 2.047 0 1 FEAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1ccc2c(c1)OCO2 103140845 KKLPJGUDZGCLTG-QGZVFWFLSA-N 359.378 2.386 0 1 FEAF CNC[C@@H](Nc1ncnc2c(C(N)=O)ccc(OC)c12)c1ccccc1 114345108 GXYOPEGHNADCQI-CQSZACIVSA-N 351.410 2.110 0 1 FEAF CN(C)C[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 103284826 AJMHCOJNYWOETP-CYBMUJFWSA-N 355.438 2.423 0 1 FEAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 40977387 NESZTSPBRDBHCW-XLIONFOSSA-N 372.488 2.091 0 1 FEAF in-vitro C/C=C1\CO[C@@H](O)[C@]2(C(=O)OC)[C@H]1CC1=NCCc3c1n2c1ccccc31 238771857 VERVUAYOVAQZHF-YSBOQWROSA-N 366.417 2.170 0 1 FEAF Cc1nn(-c2ccnc(Nc3ccccc3)n2)cc1CN1CC[C@@H](O)C1 473118798 LOGRBAPLNORWPM-QGZVFWFLSA-N 350.426 2.281 0 1 FEAF CC(C)CC(=O)N1CCN(c2cc(NCCN)c3ccccc3n2)CC1 653819865 UINKVRCSZBHXOP-UHFFFAOYSA-N 355.486 2.300 0 1 FEAF Nc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1N 586920520 MFRZYAUOPAMZCH-UHFFFAOYSA-N 356.451 2.232 0 1 FEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CN=CNc1[nH]cnc12 587590724 TYMTULSAOYWOMM-LIRRHRJNSA-N 362.345 2.426 0 1 FEAF CCCCS(=O)(=O)N[C@H](c1nc2cc(C(=O)OC)ncc2[nH]1)C(C)C 586932646 IIUBVBCJLPSDKK-AWEZNQCLSA-N 368.459 2.161 0 1 FEAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(S(N)(=O)=O)c1)[C@@H](C2)C3=O 587450821 VAYRGXNBYHBIKC-KSSFIOAISA-N 359.403 2.005 0 1 FEAF Clc1c[nH]c2nc(-c3nccnc3I)nc-2n1 587186669 OARJBDZMJMBVMA-UHFFFAOYSA-N 358.530 2.020 0 1 FEAF Cc1nccc2[nH]c(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)nc12 587202175 GHJVZCXQHBLXQS-CQSZACIVSA-N 354.366 2.188 0 1 FEAF Cc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)cc(C)c2n1 147865724 NOJBJWZWMDMEJO-UHFFFAOYSA-N 374.448 2.036 0 1 FEAF Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(O)c2sccc23)c1 4169999 HXOHNHUJNGLLPP-UHFFFAOYSA-N 360.420 2.494 0 1 FEAF CC=C1CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2C[C@@H]1c2ccccc2N[C@H]31 2356363891 OFQWNEQERHWDMW-LDAGXYTLSA-N 354.450 2.139 0 1 FEAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@H](C2)NCC[C@]314 100640793 QWKWAYNQLADTEK-IRNNPGBSSA-N 360.413 2.450 0 1 FEAF CC[C@@H]1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](O)[C@H]1C 58539463 KRERBZWVTNUEMD-KNHMANMVSA-N 352.822 2.293 0 1 FEAF N=c1c2ncnc(Nc3ccccc3)c2ncn1NC(=O)c1ccccc1 102067908 VYJSRRZWLDXZDB-UHFFFAOYSA-N 357.377 2.433 0 1 FEAF N[C@H](Cc1cc(C2CCCCC2)ccc1CCP(=O)(O)O)C(=O)O 28260406 WDFWGGOVYAERLB-MRXNPFEDSA-N 355.371 2.409 0 1 FEAF CCOC(=O)N1CCN(C[C@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 25462228 YMACKEAEDRGJSR-BZSNNMDCSA-N 366.502 2.130 0 1 FEAF CCCn1c2ccccc2c2cnn(CC(=O)NC[C@H]3CCCO3)c(=O)c21 20557129 CNODMFZATRBPAL-CQSZACIVSA-N 368.437 2.056 0 1 FEAF CC[C@@H]1OC(C)(C)O[C@H]([C@@H](C)C(=O)SCCNC(C)=O)[C@]1(C)OC 2356747123 RTJAGGPOVJJDBN-ABYLEIOUSA-N 361.504 2.354 0 1 FEAF CC(C)CN(C)C(=O)C1=NO[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C1 36184802 GGTAXQZNSGHFEJ-MRVPVSSYSA-N 350.259 2.101 0 1 FEAF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H](O)[C@@H]2CCCC[C@H]12 195351427 OXOQFLQOQYZUGT-AHIWAGSCSA-N 364.833 2.437 0 1 FEAF CN1CCC[C@H]1COC(=O)CNC(=O)c1csc(-c2ccccc2)n1 82072234 PAAHMXADSFJCCG-AWEZNQCLSA-N 359.451 2.177 0 1 FEAF CCC(=O)N(CC)C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1 95895182 RIYDUNKMEMATPK-WSTZPKSXSA-N 358.482 2.401 0 1 FEAF C[C@]12CC/C(=C3/C[C@H](c4ccoc4)OC3=O)C[C@@]1(O)CC[C@@H](O)[C@]2(C)O 238775531 VZNUIGFGDXIJDN-ALOYBANWSA-N 362.422 2.391 0 1 FEAF CN1CCC[C@H]1C(=O)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1 95572541 USLJYMUSNAVLMJ-INIZCTEOSA-N 352.442 2.170 0 1 FEAF COc1c(F)ccc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1N 587133461 QDBAJXBZGJQYFQ-UHFFFAOYSA-N 364.402 2.210 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]31 586989655 NWYIBVCSGBJFEI-ZBUHCNDUSA-N 372.380 2.464 0 1 FEAF O=S(=O)(O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586924162 JRUCKAOOPPNXCW-CMDGGOBGSA-N 364.404 2.254 0 1 FEAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(O)nc(O)nc2[nH]1 587200962 CHANSXSCGFJRQS-UHFFFAOYSA-N 351.407 2.345 0 1 FEAF CS(=O)(=O)c1ccc(C2=C3c4ccccc4CC[C@]3(O)OC2=O)cc1 13489699 GLPCILHGXWHENJ-IBGZPJMESA-N 356.399 2.193 0 1 FEAF CCOC(=O)c1noc2c1CN(C(=O)c1cc(Cl)c(O)cc1O)CC2 169310166 MFODEOVNCYTDCO-UHFFFAOYSA-N 366.757 2.114 0 1 FEAF Cc1nc([C@@H]2CCCCN2C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)no1 169707515 SYUUXAROKMQQDY-PXTSUWAFSA-N 367.409 2.425 0 1 FEAF OCCN1CCC(COc2ccc(I)cc2)CC1 13605802 XHNKRIKJZZBVIE-UHFFFAOYSA-N 361.223 2.374 0 1 FEAF CC[C@@H](OC(=O)c1cc2sccc2n1C)C(=O)NC[C@@H]1CCCO1 4388670 XXVXZSSCNCLSFK-SMDDNHRTSA-N 350.440 2.470 0 3 FEAF C[C@@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479656 SRJDLWQYOPSOMA-ZIAGYGMSSA-N 359.426 2.147 0 3 FEAF NC(=O)c1c(C=O)n(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc12 28114966 JXQGKVGLVODXPL-UHFFFAOYSA-N 362.794 2.443 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)[C@@H](CC[C@@H](O)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 100774350 FYNKIYMILKEXOG-XJOLKHBRSA-N 364.438 2.340 0 1 FEAF endogenous,in-man COC[C@@H](NC(C)=O)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 49073244 NYXQKADJKRWVQX-LJQANCHMSA-N 374.412 2.172 0 1 FEAF CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 95903341 DGIMEPVAUFODOA-RYRKJORJSA-N 364.490 2.007 0 1 FEAF Cc1nc2ccc(-n3ncnc3[C@@H]3CCCN3S(C)(=O)=O)cc2s1 95383326 QMAHWHZLZQEKGR-ZDUSSCGKSA-N 363.468 2.282 0 1 FEAF C[C@H](O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 255211832 GDKXZPQRUWPQMV-AVNGCYNZSA-N 352.515 2.329 0 1 FEAF Cc1ccccc1NC(=O)c1cccn2c(=O)cc(N3CCOCC3)nc12 473132108 QSHSDGGNXASYGM-UHFFFAOYSA-N 364.405 2.092 0 1 FEAF O=C(Cc1ccsc1)N1C[C@H]2COC[C@@]2(COCc2cccnc2)C1 299841710 CIKJFTIKVBIODS-HKUYNNGSSA-N 358.463 2.377 0 1 FEAF CNS(=O)(=O)c1ccc(CCc2nc3cc(OC)c(F)cc3[nH]2)cc1 586947337 WDSIRUGBOJZFTC-UHFFFAOYSA-N 363.414 2.404 0 1 FEAF COc1cc2c3c(c1)O[C@H](CCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587438447 PDPDHXVDFKLGBY-HZPDHXFCSA-N 363.369 2.498 0 1 FEAF O=S(=O)(c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1)N1CCOCC1 587967955 VFHYZKUJVJSGCK-GZBFAFLISA-N 359.451 2.263 0 1 FEAF CCOC(=O)N1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](OC)C1 587439708 WHWKPHBJMCELTB-ZXYWRSMDSA-N 361.394 2.059 0 1 FEAF CCn1cncc1[C@@H]1N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962630827 KSXVWSKOLWKWCD-HZMBPMFUSA-N 355.316 2.490 0 1 FEAF CCOC(=O)CC[C@]1(CC(=O)OCC)NCCc2c1c(C(C)C)nn2C 962915915 IGRLXVNBSDVHTL-LJQANCHMSA-N 365.474 2.181 0 1 FEAF CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 1772584041 DZHPBNOWWVPJAE-CQSZACIVSA-N 360.797 2.064 0 1 FEAF O=C(N[C@@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 167033899 DZWUDUAURADTBF-QGZVFWFLSA-N 352.394 2.148 0 1 FEAF C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCC[C@@H]1C(N)=O 2356290427 SDBPCTBVNUFDHN-JOYOIKCWSA-N 363.801 2.138 0 1 FEAF O=C1C=CC[C@H](C=CC[C@@H]2C[C@H](O)[C@H](O)[C@@H](C=Cc3ccccc3)O2)O1 2356389137 ITOWMYXEGADZIR-XQPJFTJZSA-N 356.418 2.397 0 1 FEAF CC1CCN(C(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)CC1 6839531 RKMQXYQPEFWLLO-UHFFFAOYSA-N 359.451 2.247 0 3 FEAF O=C(NCC1CC1)c1cncc(N2CCCN(Cc3ccccc3)CC2)n1 28882451 QEMHVXACWXQMNB-UHFFFAOYSA-N 365.481 2.329 0 1 FEAF CCOC(=O)[C@@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 59338503 ZGZCDLPPASRPHK-ROYATCLZSA-N 368.389 2.052 0 1 FEAF CC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 27316122 QWKAPWNGKVAEHV-AAEUAGOBSA-N 365.430 2.449 0 1 FEAF COc1cccc(CNC(=S)Nc2ccc3c(c2)c(=O)n(C)n3C)c1 61927799 RRTLNGVJCIVEMK-UHFFFAOYSA-N 356.451 2.372 0 3 FEAF C[C@]12OC(=O)[C@@]34CC[C@H]5[C@@](O)(CC=C6C[C@H](O)CC[C@@]65C)[C@]3(CC[C@H]14)O2 2356501281 UDUOIVXSFRUATN-ZOCKGRCPSA-N 360.450 2.447 0 1 FEAF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@](CO)(C(=O)OC)[C@H]1C[C@@H]24 2356545104 DSOCELULQRKOMA-AXNOTKAXSA-N 352.434 2.216 0 1 FEAF COc1cccc([C@@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)c1 28463102 ACWQRBMGRMYDBA-FUHWJXTLSA-N 358.394 2.131 0 1 FEAF NCCCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O 73224028 BEJBBMPRMSPBPL-UHFFFAOYSA-N 359.334 2.010 0 1 FEAF CC(=O)NCCNc1ncc(C(=O)N2CCCC2)c(-c2ccccc2F)n1 82160119 NIGOOTLQSGEJNU-UHFFFAOYSA-N 371.416 2.067 0 1 FEAF CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4nccs4)c(C)nc23)C1 1911571386 MOVIJXGVJTVNAV-CYBMUJFWSA-N 356.455 2.184 0 1 FEAF N[C@@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1 84604621 FKBVLHJCVFCOSQ-QGZVFWFLSA-N 362.433 2.349 0 1 FEAF CC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195069676 OKPZZQOOGVTTIF-DRZYCYNKSA-N 367.445 2.226 0 1 FEAF CC(C)CCC[C@@H](O)CCCCCCC(=O)CCN(O)C(=O)[C@@H](N)CO 38795088 KIWYWXQHSMRGDU-WMZOPIPTSA-N 374.522 2.011 0 1 FEAF biogenic C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)CO 299878603 JJIBTNFXXNRHAW-XZEJIFCLSA-N 366.502 2.016 0 1 FEAF CNc1nccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587745947 XTVHGIXPQYVTNR-CLAHSXSESA-N 351.223 3.044 0 1 FEAF Cc1cc(Br)c2nc(-c3cc(S(N)(=O)=O)c[nH]3)[nH]c2c1 586930442 TWKUUORJDGXRCY-UHFFFAOYSA-N 355.217 2.276 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c(=O)cn2)N1 587773709 RKJYTCNAJGAZCA-AYVTZFPOSA-N 352.207 2.469 0 1 FEAF COC(=O)C[C@@]1(c2cnn(C)c2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962634213 QHGRTFAUYOGOOJ-ZUOKHONESA-N 373.453 2.120 0 1 FEAF COCc1cccnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1 138548761 VGIYMYGMVXPMKV-KRWDZBQOSA-N 355.438 2.190 0 1 FEAF O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCN(c2ccnc3ncnn23)C1 1772587767 VKVZSAKDZAIGAN-MRXNPFEDSA-N 362.437 2.468 0 1 FEAF CN1C(=O)CC[C@H]1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772656972 NKCOXVQAYLNLLJ-INIZCTEOSA-N 351.410 2.268 0 1 FEAF COc1cc([C@H]2OC[C@@]3(O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O 14506003 CICMVLOHBZPXIT-AQWZQNETSA-N 374.389 2.305 0 1 FEAF endogenous,in-man O=C(OC(CO)CO)c1nn(Cc2ccc(Cl)cc2)c2ccccc12 3629057 VVEDYILSIFBXAG-UHFFFAOYSA-N 360.797 2.248 0 1 FEAF Nc1nc(-c2ccc3ccccc3n2)c(I)c(=O)[nH]1 29488988 DXMMLHPCVFPQEE-UHFFFAOYSA-N 364.146 2.172 0 1 FEAF CC[C@H](C)Nc1ncc(C(=O)NCCNC(C)=O)c(-c2ccc(F)cc2)n1 82141635 QLVUJVBLVPIYSH-LBPRGKRZSA-N 373.432 2.359 0 1 FEAF COC(=O)c1cccc2c1=C[C@H]1c3[nH]c4cc(OC)ccc4c3CCN1C=2 31947146 XEZPRDMWRMFURH-FQEVSTJZSA-N 360.413 2.095 0 1 FEAF biogenic C[C@@H]1CC[C@H]2[C@H]3CC(=O)[C@@H](Cn4c(=O)[nH]c5c(=O)[nH]cnc54)[C@@]13CC2(C)C 85635810 BHCRQXWMNOFEEK-DOTXJJKCSA-N 370.453 2.081 0 1 FEAF biogenic CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc3c(O)nc(O)nc3nc12 587558441 RWPVQGDQNFNGTF-UHFFFAOYSA-N 358.398 2.261 0 1 FEAF NC(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966704 JREHEKLZJHLDPQ-UHFFFAOYSA-N 352.379 2.399 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(C(=O)OC)c2[nH]1 587232098 TUOFGPJQDBSVFN-CHWSQXEVSA-N 359.426 2.386 0 1 FEAF NS(=O)(=O)Cc1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 586929899 IBFVWASOUOCMSK-UHFFFAOYSA-N 371.397 2.343 0 1 FEAF CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1CCCC(=O)O 587390292 GHTZGXMFHYBHTJ-IBGZPJMESA-N 358.394 2.282 0 1 FEAF CCCc1c(O)ccc2c1OC1(CCN(CC(=O)N(C)C)CC1)CC2=O 587475908 NOJMLCQZWSKVOR-UHFFFAOYSA-N 360.454 2.233 0 1 FEAF Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1 2457039 DGAXXPUMRNGSAD-UHFFFAOYSA-N 364.427 2.051 0 1 FEAF CN[C@@H]1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1 3637725 ORHNHLHZWBMJGP-GFCCVEGCSA-N 359.401 2.121 0 1 FEAF O[C@](CSC(=S)NC1CC1)(Cn1cncn1)c1ccc(F)cc1F 103264677 QSBKTQYROZOSPP-HNNXBMFYSA-N 370.450 2.214 0 1 FEAF C/C=C1/CN2CC[C@@]34c5ccccc5C[C@@]23CC[C@H]1[C@@]4(CO)C(=O)OC 101132797 GELIUKJJIMDVFO-LHIJCISXSA-N 353.462 2.447 0 1 FEAF C[C@H](CNC(=O)[C@H]1CC[C@H](c2ccccn2)NC1=O)N(C)c1ccccc1 212179806 LLFCNFZHHCZENN-SZVBFZGTSA-N 366.465 2.290 0 1 FEAF CS(=O)(=O)c1ccc2c(c1)c1c(n2C(=O)c2ccccc2)CCNC1 49808057 CPORBQZDOKBRFJ-UHFFFAOYSA-N 354.431 2.379 0 1 FEAF O=C1O[C@H]([C@@H]2NCCc3cc4c(cc32)OCO4)c2ccc3c(c21)OCO3 38543152 YIQVPNZGGSTDKI-SJORKVTESA-N 353.330 2.243 0 1 FEAF biogenic CCCS(=O)(=O)N1CCC(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 586955587 RXPMGHDGHGKWTO-UHFFFAOYSA-N 363.443 2.064 0 1 FEAF O=C(O)[C@]1(CO)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831754 IWBYLFFNNBLHTR-HXUWFJFHSA-N 352.390 2.165 0 1 FEAF C[C@]1(c2ccc(O)nn2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705191 UZMMSDYEXFTGEY-NHYWBVRUSA-N 371.290 2.203 0 1 FEAF Nc1ccccc1NC(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O 13588627 UZPTVMKSHYHDNT-UHFFFAOYSA-N 366.421 2.471 0 1 FEAF O=C(c1ccnnc1)N1CCn2nc(COc3cccc(F)c3)cc2C1 168078220 JBMRRJRVHNVYRV-UHFFFAOYSA-N 353.357 2.047 0 1 FEAF Cn1nccc1-c1cn(C)c2cc(S(=O)(=O)Nc3ncns3)ccc12 205426010 HDKYZDGIFIKTBX-UHFFFAOYSA-N 374.451 2.231 0 1 FEAF O=C(O)CCNC(=O)c1ccc2c(c1)C(=O)[C@H](CCC1CCNCC1)C2 3826047 USRRTACDGWUQNM-OAHLLOKOSA-N 358.438 2.026 0 1 FEAF O=C1CN(c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CCN1 116234121 JSWQYEUTVFKVSA-UHFFFAOYSA-N 366.352 2.070 0 1 FEAF CCN(CC)C(=O)N1CCN(c2ccc3[nH]c(NC(=O)OC)nc3c2)CC1 29468061 WTFGOUMWYZZMPF-UHFFFAOYSA-N 374.445 2.325 0 1 FEAF C[C@@H]1C[C@]23C(=O)O[C@]2(C)CCCC[C@H]3[C@]1(CO)CCC(=CCO)CO 2356690081 LWJPKBGAFAPXRA-FVUMXFQUSA-N 352.471 2.188 0 1 FEAF COc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)[C@@H](OC(C)=O)C2=O 2356785985 YIQPDBDQTWRFMS-YJBOKZPZSA-N 360.318 2.060 0 1 FEAF O=C1C=CC[C@H](/C=C/C[C@H]2C[C@@H](O)[C@H](O)[C@@H](/C=C/c3ccccc3)O2)O1 198360167 ITOWMYXEGADZIR-UJCCVNEUSA-N 356.418 2.397 0 1 FEAF biogenic,in-vitro CC(C)C[C@H](O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O 43009762 ZVOQGQCKCWWWMA-OAHLLOKOSA-N 351.509 2.470 0 1 FEAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CC(O)C2)cn1 143107287 RTAFFWCZWXAGAY-UHFFFAOYSA-N 365.389 2.441 0 1 FEAF NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1 146197690 VVFMTXUAODNFIP-AWEZNQCLSA-N 365.380 2.083 0 1 FEAF O=C(O)[C@]12CCCN(Cc3ccccc3)C[C@H]1CN(c1ncccn1)C2 96185229 VYGGRHVQTDJUJN-PXNSSMCTSA-N 352.438 2.280 0 1 FEAF COc1ccccc1N1CCN(CCCCN2C[C@@H]3CCCN3C2)CC1 19332300 VHPARWYQZXICHJ-IBGZPJMESA-N 358.530 2.335 0 1 FEAF O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)c1cccc(F)c1 203474391 ORYKESSCMPPQBP-UHFFFAOYSA-N 367.384 2.199 0 3 FEAF CCn1c(=N[C@@H]2C[C@H](c3ccccc3)CN(C)C2)[nH]c2cc[nH]c2c1=O 1857614247 LUPOEXSMBVBUPV-JKSUJKDBSA-N 351.454 2.066 0 1 FEAF C[C@@H](Oc1ccc(OCC2CCCCC2)cc1)C(=O)N(CCO)CCO 6442530 LXPPIMNNFIXCCV-MRXNPFEDSA-N 365.470 2.226 0 1 FEAF O=C(O)CCC[C@H](O)C=CC=CC=C[C@@H](O)CC=CCCCCC(O)O 2356285049 ZZSBUQYGAPWEOJ-ZWKOTPCHSA-N 368.470 2.449 0 1 FEAF O=C(NC1CCCCC1)N1CCN2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 8295560 UVSYLCRVNRRORY-MRXNPFEDSA-N 362.474 2.310 0 1 FEAF biogenic OCC1CCN(c2ncc3c(n2)CCC[C@@H]3NCc2cccnc2)CC1 59299978 BZCIPKXTDXWKKP-SFHVURJKSA-N 353.470 2.248 0 1 FEAF O[C@H]1C[C@H](n2cnc3c(Cl)ncnc32)O[C@@H]1COCc1ccccc1 28865067 XSMTVCSVMWQFGR-BFHYXJOUSA-N 360.801 2.345 0 1 FEAF CCCCN1C(=O)[C@H](CC(=O)NC2CC2)CC(C(=O)N(CC)CC)=C1C 61921504 HFXDKTKUPSLERT-HNNXBMFYSA-N 363.502 2.446 0 3 FEAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CN1CCC(C)CC1 2103739 JBWJFODCIZATJF-LJQANCHMSA-N 369.465 2.326 0 1 FEAF biogenic Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1F 198765064 ZDNKJCGZBFTRPU-UHFFFAOYSA-N 360.370 2.215 0 1 FEAF C/C=C(\CO)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12 238733732 RUKZGUMJTZMSDC-ZFYGDRRQSA-N 364.438 2.063 0 1 FEAF biogenic C=CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cc(C3CCCCC3)no2)C1 618017422 KSQGLEWSARREHM-CYBMUJFWSA-N 353.444 2.456 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(CCO)CCO)cc1)O2 587387672 RMGLTHQXXDSVPC-LJQANCHMSA-N 356.422 2.075 0 1 FEAF COC(=O)[C@@H]1C[C@]2(CCN1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587592814 HISUELYHRYQZHH-OWZDWXTDSA-N 369.373 2.018 0 1 FEAF CC(C)c1nn(C)c2c1[C@@](C)(c1ccc(N3C(=O)C=CC3=O)cc1)NCC2 962921391 SXYQJVUEBUHGFC-OAQYLSRUSA-N 364.449 2.382 0 1 FEAF CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 150338616 OFEIMXRKQMBMPZ-SZOQZIPDSA-N 351.761 2.329 0 1 FEAF CC1CCN(C[C@@H](NC(=O)[C@@H]2Cc3ccc(O)cc3CN2)C(C)C)CC1 1857628868 QHBNPMPKVNZQAM-VQTJNVASSA-N 359.514 2.279 0 1 FEAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@H]([C@H](O)CCCCCC[C@@H](O)CC(=O)O)CCN21 2356311376 KUWUFIMFEHTJGO-MGYGNFHQSA-N 371.518 2.147 0 1 FEAF COc1ccccc1CN1CC2(CCN(C(=O)c3cnccn3)CC2)C1 4237990 SIGJPHNRWHYFJS-UHFFFAOYSA-N 352.438 2.223 0 1 FEAF CN1C(=O)[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccccc3)[C@H]2C1=O 101789482 DIJLPIGOFMVRRF-APWZRJJASA-N 372.384 2.257 0 1 FEAF NCCc1c([C@@H](c2c[nH]c3ccccc23)[C@@H](O)CO)[nH]c2ccc(O)cc12 103241734 ZTYZUZUNCFQNPS-PMACEKPBSA-N 365.433 2.341 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@@]23C 2356539452 OWACIDNMPZLRTG-LYVQUTJKSA-N 360.406 2.468 0 1 FEAF CC(C=CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)=C[C@@H](C)CC(=O)O 2356539495 QDUUNHXRESPFEU-CJNGLKHVSA-N 361.394 2.117 0 1 FEAF CCOCC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCOCC1 29567612 RCGBNOHDMWFYHA-OAHLLOKOSA-N 367.442 2.127 0 1 FEAF CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(CC[C@@H]1O)[C@H]42 14829275 WIULGYANQGQQJM-LRGNLBRXSA-N 354.450 2.416 0 1 FEAF biogenic CC(C)Oc1cc2c(-c3cc(N4CC[C@@H](N)C4)ncn3)n[nH]c2cc1F 225551312 IQHFXCWFBRFTAB-LLVKDONJSA-N 356.405 2.484 0 1 FEAF O=C(CNC(=O)c1coc(-c2cccs2)n1)OCCc1ccccn1 82084969 AUUNCKAMUVDIBW-UHFFFAOYSA-N 357.391 2.314 0 1 FEAF O=C(C[C@@]1(c2ccc(F)cc2)C2C[C@@H]3C[C@H](C2)CC1(O)C3)N1CC(O)C1 145906480 MNXGDJZVDYAHNU-ORVFEULPSA-N 359.441 2.228 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)CN(C)C)CCCCN3[C@H]2CO)cc1 95662799 SCIKXZDFHNNAJM-PSLKJHFSSA-N 371.525 2.032 0 1 FEAF NC(=O)c1ccc(N2CC[C@H](c3ccc(F)cc3)[C@H](N)C2)c2cncnc12 144905056 ISSHDEMQWJANGA-RHSMWYFYSA-N 365.412 2.189 0 1 FEAF CC(C)c1nc(C(=O)NC[C@H]2CN(C3CCC3)CCO2)c2ccccn12 653792933 FIHPZTYJVXVUII-INIZCTEOSA-N 356.470 2.441 0 1 FEAF NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1 169307865 JPLVODBVUFWKQT-UHFFFAOYSA-N 369.855 2.114 0 1 FEAF Cc1ccc(S(=O)(=O)N2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 1857588658 LXXQXOMQCGHKBG-IBGZPJMESA-N 370.430 2.467 0 1 FEAF CCNC(=O)CCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 1857609416 LGBXSZVUJTXNEJ-ZDUSSCGKSA-N 359.426 2.311 0 1 FEAF O=C1COc2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cc2N1 1857745687 OBMPHDJMBKXZAI-GFCCVEGCSA-N 358.325 2.141 0 1 FEAF C[C@@H](n1cc(C2CC2)nn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 1857745924 MXWABZCCQPRFDH-PIGZYNQJSA-N 360.368 2.174 0 1 FEAF O=S(=O)(c1ccc2oc(O)nc2c1)n1nnc2cc(Cl)ccc21 584613909 QAXFCYQVOPCQHO-UHFFFAOYSA-N 350.743 2.169 0 1 FEAF O=C1NC(=O)C(=C(/C=C/c2ccccc2)c2nc3ccccc3[nH]2)C(=O)N1 103183806 YGGUILYVXUWAAW-ZHACJKMWSA-N 358.357 2.396 0 1 FEAF CC[C@@H](Nc1c(Nc2cccc(C(N)=O)c2O)c(=O)c1=O)c1ccccc1 101278129 GTMFFNSWMUCQIO-CYBMUJFWSA-N 365.389 2.394 0 1 FEAF CN(C(=O)CNc1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1 53262064 JLMDSDKAMFOLIF-VQTJNVASSA-N 353.466 2.365 0 1 FEAF COc1ccc(CN(C)C2CCN(S(C)(=O)=O)CC2)c2cccnc12 67642697 KEKRTCUCDIXCAS-UHFFFAOYSA-N 363.483 2.099 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCC(=O)O 2356675395 UBWZMPMLSDJDSU-UIFYRBHJSA-N 370.486 2.014 0 1 FEAF COC(=O)c1c(C(=O)OC)c2cccnn2c1C(=O)c1ccc(C)cc1 40899179 AFNZCLZTCRIXPG-UHFFFAOYSA-N 352.346 2.447 0 1 FEAF C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 95675522 PHXITHQOKRDDQC-AXUOBQJMSA-N 374.481 2.079 0 1 FEAF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](O)[C@@H]2CCCC[C@@H]12 253975574 OXOQFLQOQYZUGT-PBFPGSCMSA-N 364.833 2.437 0 1 FEAF O=S(=O)(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)nc1 586942031 GBHPFEWRTVPHDJ-UHFFFAOYSA-N 354.794 2.271 0 1 FEAF COc1nccnc1[C@@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962656228 ACKGNLQZLLEICD-JXFKEZNVSA-N 364.405 2.221 0 1 FEAF Nc1nnc(CS(=O)(=O)c2n[nH]cc2-c2ccc(Cl)cc2)s1 1772577450 CBOPURGSRAXMPZ-UHFFFAOYSA-N 355.832 2.138 0 1 FEAF NCc1cc(OCc2cccc(C(=O)N3CCc4ccncc43)c2)ncn1 1857561072 QPNPSGCJNOMFAW-UHFFFAOYSA-N 361.405 2.112 0 1 FEAF COC(=O)c1ccc(-c2cn(CC(=O)Nc3nc(C)cs3)nn2)cc1 1857593676 AOWVPVOKZRJKFM-UHFFFAOYSA-N 357.395 2.135 0 1 FEAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCc2ccccc2N)cc1 770242 VEVMCWFRYUCAOG-HXUWFJFHSA-N 352.438 2.392 0 1 FEAF C[C@@H]1[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CCC1=CCOC1=O 2356317654 JSFDZACEGAEQSO-HRPNNTJESA-N 350.455 2.393 0 1 FEAF CC=C1CN(C)C(=O)[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 2356411545 SBJLRAOPYMKDRU-YCRPNKLZSA-N 366.417 2.491 0 1 FEAF Cc1ccc(C2=NN(CC(=O)NCCN3CCCC[C@@H]3C)C(=O)CC2)cc1 4708378 HNRVJKVINVZSCO-KRWDZBQOSA-N 370.497 2.312 0 1 FEAF Cc1c(N2CC[C@@H]3[C@H](N)[C@@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520936 ZOVQBDXTGCSAJB-PEYYIBSZSA-N 371.412 2.106 0 1 FEAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2ccncc2F)CC[C@@]1(C)O 2356288904 MQNMLXBUFDBXMZ-VAMGGRTRSA-N 357.429 2.423 0 1 FEAF N[C@H](Cc1ccc(O)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)=C(O)O 100388736 DQFWYRJCGCFJNZ-MRXNPFEDSA-N 367.405 2.387 0 1 FEAF endogenous,in-vitro CCOC(=O)c1cnc(Oc2ccccc2)nc1NN1C(=O)C=C(C)C1=O 29396560 IOCWNKBPUBVHKE-UHFFFAOYSA-N 368.349 2.088 0 1 FEAF Cc1ccc(-c2n[nH]c(C(C)(C)C)n2)cc1S(=O)(=O)N1CCOCC1 40403859 PNNVHYBJTSUCME-UHFFFAOYSA-N 364.471 2.099 0 1 FEAF CN(C)c1nc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc2n1 49067089 VDIYQIPVQPUZME-UHFFFAOYSA-N 363.381 2.027 0 1 FEAF CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(C(C)C)c2=O)N1 82206808 CQGYFSKORBTGKB-AWEZNQCLSA-N 356.426 2.293 0 1 FEAF Cc1cn(CCCCCCCCC(F)(F)P(=O)(O)O)c(=O)[nH]c1=O 84653448 XNJMDCNRMWIYKD-UHFFFAOYSA-N 368.317 2.346 0 1 FEAF NS(=O)(=O)NCCCCCC(=O)Nc1nc(-c2ccccc2)cs1 40430319 FURLAGKXPNAXQK-UHFFFAOYSA-N 368.484 2.102 0 1 FEAF CC(C)N(C[C@@H](C)NC[C@H](O)c1ccc(O)c(C(N)=O)c1)c1ccccc1 40511605 WXHZNQCQBSNBSE-QRWLVFNGSA-N 371.481 2.418 0 1 FEAF CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CCCSC1 95563981 QPGQYBKAZOTPAZ-JTQLQIEISA-N 365.484 2.030 0 1 FEAF Cc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2cc(Cl)ccc2CN)[nH]1 230585695 BBKKBBGFERPRGT-KRWDZBQOSA-N 374.872 2.356 0 1 FEAF in-vitro CCCCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 249808317 AVMYCGJNQUPEPM-WKRCXCSHSA-N 354.450 2.193 0 3 FEAF COc1cc2c3c(c1)O[C@@H](CN1C(=O)COc4ccccc41)[C@@H](C2)C3=O 587437261 YWAJNYRMEKOABF-DYVFJYSZSA-N 351.358 2.237 0 1 FEAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1c[nH]c4ncccc14)[C@@H](C2)C3=O 587441937 VNZWONFBMYZOKM-BUXKBTBVSA-N 350.330 2.299 0 1 FEAF CC1CCC(NS(=O)(=O)Cc2nc3ccc(CCO)cc3[nH]2)CC1 586952469 GLQSKEIPYPTARI-UHFFFAOYSA-N 351.472 2.096 0 1 FEAF CN(CC(=O)O)c1ncc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cn1 963108292 ONMQDTDYTYNGAK-YJBOKZPZSA-N 356.401 2.246 0 1 FEAF O=C1[C@H](N2CCN(c3ccc(O)cc3)CC2)CCN1Cc1ccc(F)cc1 1772632845 MDUXGCPBQKKLGB-HXUWFJFHSA-N 369.440 2.454 0 1 FEAF NC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1 207731627 FKEYBXFTLKRSTK-ZDUSSCGKSA-N 371.359 2.273 0 1 FEAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC(C)(C)O2 2487198 JTPCCONPWAOOAD-DOTOQJQBSA-N 364.486 2.416 0 1 FEAF COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)n2nc(C)cc2C)cc1 6471997 MLDTWHQDVJCCLT-MRXNPFEDSA-N 363.439 2.002 0 3 FEAF O=C1CN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)c2ccccc2N1 6550015 SEKKBTLIBOICFD-UHFFFAOYSA-N 366.782 2.186 0 3 FEAF O=C1O[C@@H]2CN(Cc3cccc4c3OCO4)C[C@@H]2N1Cc1ccccn1 59311803 CMDPMBCIGKFEHV-DOTOQJQBSA-N 353.378 2.016 0 1 FEAF O=C1C=CC[C@@H](/C=C/C[C@@H](O)C[C@@H](O)C[C@H](O)CCc2ccccc2)O1 59257999 YZNUQTVBWSAEBN-JGENFZHISA-N 360.450 2.300 0 1 FEAF COc1ccc(C(=O)NCC2(COc3ccccc3)C[C@@H](O)[C@H](O)C2)cc1 2356531693 IOLRVFFKMXBPBR-RTBURBONSA-N 371.433 2.006 0 1 FEAF CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 26835151 WKOPAYFSYFJLIR-SFHVURJKSA-N 363.483 2.097 0 1 FEAF Cc1cccc(C(=O)N2CCn3c(nnc3C(=O)N3CCCCC3)C2)c1C 74376188 ZMPKMHZYHHKZDJ-UHFFFAOYSA-N 367.453 2.177 0 3 FEAF Cc1ccc(C(=O)NCCN2CCCC2)cc1C(=O)Nc1ccc(N)nc1 40980980 KCNNVAWHAGYMJB-UHFFFAOYSA-N 367.453 2.050 0 1 FEAF C[C@H]1CC[C@@H](OC[C@@H](O)CO)C(C)(C)[C@@]12Cc1cc(C(=O)O)ccc1O2 49116228 HVMFMZYINBQZHW-JNEVDQRJSA-N 364.438 2.253 0 1 FEAF Cc1cnc(-c2ccnc(N3CCC(NS(C)(=O)=O)CC3)c2)c(C)c1 146948722 BZHBKLCVXLRTGJ-UHFFFAOYSA-N 360.483 2.278 0 1 FEAF Cn1c(O)c(C(=O)C[C@@H](NCCO)c2cccs2)c(=O)c2ccccc21 68591698 BNEJVWCVMDADBM-CYBMUJFWSA-N 372.446 2.202 0 1 FEAF biogenic Cn1cc(C(=O)Oc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cn1 587557567 KWOXWPNTCCVHKU-UHFFFAOYSA-N 363.333 2.056 0 1 FEAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 586950142 QPGDXTDWRZDCLC-UHFFFAOYSA-N 363.370 2.363 0 1 FEAF CC1(C)[C@H](OCCN)C[C@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962731010 PYGUUZVOHJNQDX-JJRVBVJISA-N 356.388 2.301 0 1 FEAF Cc1ccc(NC(=O)c2c(Nc3ccccc3)nc(O)n(O)c2=O)cc1 1772574221 RXBASXBVQMXKKW-UHFFFAOYSA-N 352.350 2.491 0 1 FEAF Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)s1 12573531 WAPZZFBFZCRDAB-YUTCNCBUSA-N 366.483 2.270 0 1 FEAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)NC2=O)cc1OC 13587804 HZJYSWGFUMRFAP-UHFFFAOYSA-N 369.373 2.288 0 1 FEAF CN1C(O)=C(C(=O)Nc2ccccn2)c2ccc(Cl)cc2S1(=O)=O 13605536 IYNWRXYGLIUNDD-UHFFFAOYSA-N 365.798 2.234 0 1 FEAF COc1ccc(S(=O)(=O)c2cn(C)c3ccc(OC)cc3c2=O)cc1 4193286 BBGXDBGMLIYRDX-UHFFFAOYSA-N 359.403 2.389 0 1 FEAF O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1nccs1 101664056 ZMRRWMLGIBHURV-JURCDPSOSA-N 359.451 2.449 0 3 FEAF aggregator CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cc(O)cc12)c1cccc(F)c1 114345904 FKGMUZBYHNMNSM-MRXNPFEDSA-N 369.400 2.288 0 1 FEAF CC[C@@H]1CN(C)[C@H]2C[C@@H]3[C@H](N[C@@H]4CCCC[C@H]34)C(=O)C[C@H]1[C@H]2C(=O)OC 2356608671 SJBJYGYLCQECRD-DPFBPOIESA-N 362.514 2.242 0 1 FEAF CS[C@]12Cc3ccccc3N1C(=O)[C@@]1(Cc3ccccc3O1)NC2=O 2356796194 MYLGWXSGDVSMSI-OALUTQOASA-N 352.415 2.096 0 1 FEAF O=C(O)c1ccc(-c2ccc(S(=O)(=O)NCCCCCO)cc2)cc1 38224553 NWRILIOUYAUURT-UHFFFAOYSA-N 363.435 2.493 0 1 FEAF COc1cccc(-c2ccc(S(=O)(=O)N3CCC34CN(C#N)C4)cc2)c1 1911573400 XXJVKDUVRKJLIT-UHFFFAOYSA-N 369.446 2.292 0 1 FEAF CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](C(C)C)N2 82206504 NJGCUPHKGDPWGX-INIZCTEOSA-N 371.485 2.361 0 1 FEAF C[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 82207129 ICXRASSUXFVIAF-ZDUSSCGKSA-N 357.458 2.115 0 1 FEAF CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2OC(=O)C(C)C)[C@H]3C1)OCO5 84740026 QGWQDTGOXIRQBH-WBHLOVLFSA-N 371.433 2.394 0 1 FEAF CC(=O)N1CCC(C(=O)Nc2cccc(-c3cc(C(=O)O)no3)c2)CC1 43010023 FATSGQVIUZEAJH-UHFFFAOYSA-N 357.366 2.237 0 1 FEAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(=N)N)cc2[nH]1 587193514 CIOBPAVXAJWJDS-CYBMUJFWSA-N 360.462 2.364 0 1 FEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C2CCN(CC2)[C@@H]1C(=O)OC 587487953 ZIDIQNMARXFYSQ-UYAOXDASSA-N 359.422 2.316 0 1 FEAF Cc1ccc(NC(=O)[C@H](N=O)c2ccc3c(O)nc(O)nc3n2)c(C)c1 587552814 CULFVFUABCXYIT-CYBMUJFWSA-N 353.338 2.499 0 1 FEAF Nc1nc(O)c2nc(-c3nc(Br)sc3C3CC3)[nH]c2n1 587011797 CUIACGDZRSJWQZ-UHFFFAOYSA-N 353.205 2.404 0 1 FEAF Cc1c(O)ccc2c1C1(CCN(c3nccs3)CC1)N[C@H](C(=O)O)C2 963491914 ODFOICJUYXGGOP-ZDUSSCGKSA-N 359.451 2.252 0 1 FEAF CCOC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCN(C(C)=O)C2 13442788 SZLKACLMFIEGSH-UHFFFAOYSA-N 373.434 2.477 0 1 FEAF C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(N2Cc3ccccc3C2=O)cc1 13646060 QOPAICALVSGXDH-GFCCVEGCSA-N 358.419 2.026 0 1 FEAF COc1ccc(CCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1OC 169294081 YJWKFEOPTCAJCT-SQJBMSRPSA-N 353.418 2.299 0 1 FEAF CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@@H]13)O2 169355443 AVMYCGJNQUPEPM-OOSNJVJTSA-N 354.450 2.193 0 1 FEAF C[C@H]1C[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 168955153 VHCBVNYAJHXYLS-IPMDBYLKSA-N 369.461 2.162 0 1 FEAF COCCCN1C[C@@H]2C(CNC(=O)c3cccc4cc(C(C)C)nn34)[C@H]2C1 1857640884 ILSMRXOPLLAUJB-QZTJIDSGSA-N 370.497 2.402 0 1 FEAF Cc1cccc(Cn2cncc2C[C@H](N[C@@H](CC(C)C)C(=O)O)C(=O)O)c1 1549632 NXADWFZHJAPLOB-ROUUACIJSA-N 373.453 2.324 0 1 FEAF Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1 4034555 IMWRZWSKFBVWAI-KRWDZBQOSA-N 373.478 2.107 0 3 FEAF CCOc1ccc(N(CC)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4564586 UGIFGEIYSLPSDW-SLDRDFCHSA-N 368.433 2.245 0 1 FEAF COCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CCN(C)C 7991814 WXFKCTSRUDKGSL-UHFFFAOYSA-N 354.458 2.422 0 1 FEAF Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCCN1CCCC[C@H]1C)O2 104042773 NLAGBQUFKUYVAV-CRAIPNDOSA-N 359.470 2.465 0 3 FEAF O=C(C1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1 100107812 ORYBWWOKLKXUFF-AERCQKQUSA-N 363.461 2.441 0 1 FEAF C[C@@H]1[C@@H](CN)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F 27423732 DISQZGNTOYGBDO-BDAKNGLRSA-N 363.364 2.096 0 1 FEAF CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)CC2=Cc3ccccc3N[C@H]21 2356585274 KLWPJMFMVPTNCC-YLJYHZDGSA-N 350.374 2.067 0 1 FEAF CN(C[C@H]1COc2ccccc21)S(=O)(=O)c1ccc2c(c1)CCNCC2 40950236 OPBJBLKJIWYZGA-KRWDZBQOSA-N 372.490 2.172 0 1 FEAF CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)CC(F)(F)F)C[C@H]21 95893961 CCQAYRHFWZJQSP-IOASZLSFSA-N 356.344 2.051 0 1 FEAF COc1cc(CCC(=O)N[C@@H](C2CCNCC2)C2CC(O)C2)ccc1C 230564860 WOXPCDNWJJKORR-NGICGMGXSA-N 360.498 2.192 0 1 FEAF Cc1cc(C)cc([C@]2(C)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1 963209807 XXIZDDBBAZIUBF-XGHQBKJUSA-N 364.449 2.048 0 1 FEAF CCOC(=O)[C@H](F)[C@]1(CC)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228977 PINIRZXLOWXEJG-TXPKVOOTSA-N 360.385 2.340 0 1 FEAF Nc1ncnc2c1nc(I)n2Cc1ccccc1 13492464 WHNUETSWPCPXRX-UHFFFAOYSA-N 351.151 2.061 0 1 FEAF CC(=O)Nc1ccc2c(c1)[C@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CC2 28823660 YTTKIXYFWFTJFB-LJQANCHMSA-N 369.465 2.493 0 1 FEAF COc1ccc2[nH]cc(C(=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c2c1 26504856 NATJVYIBGWHROO-KRWDZBQOSA-N 366.373 2.171 0 1 FEAF O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1ccccc1Cl 103199623 HDDCORNGBAFAKK-CQSZACIVSA-N 360.822 2.475 0 1 FEAF CCCSc1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12 28825533 XOJHBANMZCECJE-RNJTYBCJSA-N 350.436 2.160 0 1 FEAF CC(C)NC[C@@H]1O[C@@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O 2356596712 ONQRAODOWPZCMU-NEWSRXKRSA-N 351.491 2.110 0 1 FEAF CC=C(C)C(=O)O[C@H](C)[C@](O)(C(=O)OC[C@@H]1CCN2CCC[C@@H]12)C(C)C 2356698176 LOIDBGQADXQLMY-YLAKUSLOSA-N 367.486 2.299 0 1 FEAF CNC(=O)[C@H]1CN(C(=O)C2(c3ccc(OC)cc3)CC2)CC12CCCC2 75876748 GGFNTRUNPJXUIQ-QGZVFWFLSA-N 356.466 2.492 0 1 FEAF CO[C@](C)(C[C@H]1C=C(C)C(=O)O1)[C@@H](O)COc1ccc2ccc(=O)oc2c1 15212109 RQBQLXAWTWABLH-OXFYSEKESA-N 374.389 2.200 0 1 FEAF biogenic Cc1cnc(-c2cc(N3CCN(C(=O)CCO)CC3)ncc2Cl)c(C)c1 142151781 RPPIVSYJMORRDX-UHFFFAOYSA-N 374.872 2.445 0 1 FEAF C/C=C1/CN2[C@@H]3C[C@@]45c6cccc(OC)c6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@H]5C(=O)OC 238769974 PODPTPDMRYBSFN-FDAQNMCSSA-N 368.433 2.254 0 1 FEAF COc1ccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2c1 587227763 WINOSFZWFWXSET-UHFFFAOYSA-N 368.393 2.114 0 1 FEAF Nc1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cn1 586956058 ZIQLDPDACPEVFZ-UHFFFAOYSA-N 363.830 2.255 0 1 FEAF O=S(=O)(NCCCC(F)(F)F)c1ccc2c(c1)CN[C@H](CF)C2 13581901 QRUNIUWKRWSMKL-LBPRGKRZSA-N 354.369 2.291 0 1 FEAF Cc1c(CCC(=O)O)c[nH]c1/C=C1\C(=O)Nc2ccc(NC(N)=O)cc21 14962641 IYCLDXCYBZSIAQ-QPEQYQDCSA-N 354.366 2.324 0 1 FEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CCCC[C@H]1CCN1CCCC1 1259847299 ZQKBIVKYPWNDHM-HNNXBMFYSA-N 366.483 2.444 0 1 FEAF CCC(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356287292 GHONXTHBNDXNCL-JZXOWHBKSA-N 362.401 2.458 0 1 FEAF C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](C[C@H](O)[C@@H]21)[C@]1(CO1)[C@H]3O 103144625 XMTQHWFQYBJETH-MZGBGXLCSA-N 350.455 2.195 0 1 FEAF COC(=O)c1cc(OC)c2c(c1)[C@@H](CO)[C@H](c1ccc3c(c1)OCO3)O2 2356624343 VRLLQDATJITICB-DYVFJYSZSA-N 358.346 2.420 0 1 FEAF O=CN1c2ccccc2[C@]23CCN4CCC[C@@]5(CC[C@@]12[C@@H](C(=O)O)C5)[C@H]43 2356655124 YJKNDUBIWGQYFI-TWUVWWFLSA-N 352.434 2.392 0 1 FEAF Nc1nc(-c2c(F)cc(F)cc2F)c(I)c(=O)[nH]1 29485607 RELJQGNTFUMWFL-UHFFFAOYSA-N 367.068 2.041 0 1 FEAF CN(C)CCN(C)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccccc1 2356850295 PPDDXWRFNPNLKE-NSHGMRRFSA-N 373.545 2.012 0 1 FEAF COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C23CC3)cc1OC 36076376 YTLUPIQXIOUUPD-PURYLZLUSA-N 353.418 2.444 0 1 FEAF COc1cccc(S(=O)(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c1 77338843 ICSVKXQCGCIZOF-OAHLLOKOSA-N 366.483 2.251 0 1 FEAF O=S(=O)(CC1=NCCO1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 72118509 QPDFVRWYZZOMGC-OALUTQOASA-N 370.430 2.374 0 1 FEAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 40670662 PAALMPCHQXIBEW-NSWMSAIFSA-N 369.461 2.074 0 1 FEAF Cc1cnc(N2CCCN(C)CC2)nc1NCc1ccc2c(c1)OCO2 82202634 CVOSHOKLQIIQJM-UHFFFAOYSA-N 355.442 2.268 0 1 FEAF CCCOC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O 95584895 VKUDGLSPCRRLLQ-UHFFFAOYSA-N 373.428 2.452 0 1 FEAF CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(C)=O 95895105 LKMXYQNMWFUTMA-NJDAHSKKSA-N 370.424 2.304 0 1 FEAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1CCC[C@@H](O)[C@H]1O 261174326 UMBMDDFTYGIXPG-IIVZCXTMSA-N 367.453 2.316 0 1 FEAF CC1=C(c2ccc3nc(-c4cc(N)cc(C(=O)O)c4)[nH]c3c2)NNC(=O)C1 587251724 MEWCTUAEDJHFEV-UHFFFAOYSA-N 363.377 2.266 0 1 FEAF COc1cc2c(cc1OC)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 587399834 KGRGFFALFOCSHE-IBGZPJMESA-N 354.362 2.407 0 1 FEAF COC(=O)c1cccc(-c2cc(C(F)(F)F)nc(S(C)(=O)=O)n2)c1 1772642061 PNHDKSLFJHPTDN-UHFFFAOYSA-N 360.313 2.353 0 1 FEAF Nc1nc2c(cnn2CCc2ccc(O)cc2)c2nc(-c3ccco3)nn12 13554855 HTBACUGZYGOBQR-UHFFFAOYSA-N 361.365 2.265 0 1 FEAF COc1ccc(NCc2ccccc2)c(C(=O)C[C@H](NC(C)=O)C(=O)O)c1 13558625 KGANRUWXLISAKF-SFHVURJKSA-N 370.405 2.469 0 1 FEAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@](O)(CC=C5C[C@@H](O)CC[C@@]54C)[C@@]2(O)CC[C@H]13 1857539848 NGKWEWXMMRLNEU-KJIKNVQTSA-N 362.466 2.082 0 1 FEAF CCCCc1oc(CCc2ccc(O)c(OC[C@@H](O)CO)c2)cc1CO 2356417114 QXBKRDNWSLTDHH-INIZCTEOSA-N 364.438 2.337 0 1 FEAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1)c1ccccc1 2356298732 XZSBEWDFTRKEFZ-GUDVDZBRSA-N 359.539 2.176 0 1 FEAF Cc1nc(N)nc2c1C(=O)N[C@@H](c1ccc(F)cc1-c1cccc(O)n1)C2 117712557 GRCCNDPONYAFAF-CQSZACIVSA-N 365.368 2.301 0 1 FEAF C/C=C1\CN[C@@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 103581755 ZORKKCARNQAZRJ-DTBAORNYSA-N 370.449 2.184 0 1 FEAF biogenic,in-vitro C[C@H](CN1CCCCC1)OC(=O)[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)C 25967915 PCLCTMUJJXNFHF-CVEARBPZSA-N 366.502 2.400 0 1 FEAF Cc1cc(N)nc(C)c1CNC(=O)c1nnn(Cc2ccccc2)c1C 114079528 FEWIUHKNNUCBBN-UHFFFAOYSA-N 350.426 2.159 0 1 FEAF CCOc1cc([C@H](CC(N)=O)N2C(=O)c3ccccc3C2=O)ccc1OC 26639078 VALGLZFTZIHPIT-HNNXBMFYSA-N 368.389 2.307 0 1 FEAF N[C@@H]1CCN(c2nc3[nH]cc(CNc4ccccc4)c(=O)c3cc2F)C1 26986448 LGRUUJPWKKABJI-CYBMUJFWSA-N 353.401 2.212 0 1 FEAF CNC[C@@H]1CCN(C(=N)NC)C[C@]12[C@H]1CC[C@H](C)[C@@]23CCC(C(=O)O)=C3C1 2356839622 LWJIWZZVVNGGQT-VMRCMBGLSA-N 374.529 2.279 0 1 FEAF CC[C@@H]1Cn2c(c(NCc3cccc(OC)c3)c(=O)n(C(C)C)c2=O)N1 82207549 GAWHVCGCOURKGB-CQSZACIVSA-N 358.442 2.416 0 1 FEAF CC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82196011 VCOXLMBUUPGHAX-UHFFFAOYSA-N 368.359 2.459 0 1 FEAF CCCN([C@@H]1COc2cccc(OC)c2C1)N1C(=O)[C@@H]2CCC[C@H]2C1=O 253634586 GMZUEVUOVVLGAB-RRFJBIMHSA-N 358.438 2.411 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(=O)OC)cc2[nH]1 587231336 NMJYAOWYTMZAOK-KBPBESRZSA-N 359.426 2.386 0 1 FEAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)cc1 587786520 RBNPQQTYXWPFJD-ZIAGYGMSSA-N 371.418 2.154 0 1 FEAF O=S(=O)(c1ccccc1)n1ccc(-c2ccc3c(O)nc(O)nc3n2)c1 587562698 IWYUJLLRUCHKBD-UHFFFAOYSA-N 368.374 2.142 0 1 FEAF CCOC(=O)Cc1nc2c(I)cnc(Cl)c2[nH]1 587777826 ZPJSUXLJKZMFED-UHFFFAOYSA-N 365.558 2.322 0 1 FEAF O=C(Nc1ccc(Cl)cc1)[C@H]1C(=O)c2ccccc2OS1(=O)=O 957936838 ZDZMRZHVNOEJGI-CQSZACIVSA-N 351.767 2.252 0 1 FEAF COc1ccc(C(=O)N2CCN(CCOc3cccnc3)CC2)c(C)c1 205942178 KARLVIFVRFFIOE-UHFFFAOYSA-N 355.438 2.235 0 1 FEAF CC(C)CNCc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1 13727845 LMVXPRMBXRSEED-UHFFFAOYSA-N 352.481 2.372 0 1 FEAF O=C1NC(=O)[C@@H](C[C@H]2COc3ccc(Br)cc3C2=O)S1 169325622 LQENPMDZEOSVTA-QUBYGPBYSA-N 356.197 2.382 0 1 FEAF C[C@@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@H]2CCN(C)C[C@@H]12 169373663 BVICSNQLCGMLKS-ZOWXZIJZSA-N 362.499 2.053 0 1 FEAF O=C1c2ccccc2C2=NC(=S)N[C@@H](c3cccc(OCCO)c3)[C@H]12 169726087 NWXXFXZHQVXMSE-HOTGVXAUSA-N 352.415 2.289 0 1 FEAF NCc1cc(Oc2cccc(C(=O)NCCO)c2)nc(C(F)(F)F)c1 1857608407 MROVZCRMXJZHCN-UHFFFAOYSA-N 355.316 2.074 0 1 FEAF COc1cccc(CNC(=O)CCS(=O)(=O)Cc2ccccc2F)c1 2966589 PKKXWOWRZIPTTJ-UHFFFAOYSA-N 365.426 2.456 0 1 FEAF CC1(C)[C@H](Cc2cc(CN3CCCCC3)on2)C[C@@H]1NS(C)(=O)=O 67890117 RBMZDJKGRVPUDK-CJNGLKHVSA-N 355.504 2.167 0 1 FEAF C[C@H]1C[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 29237647 VHCBVNYAJHXYLS-GNCKTQTBSA-N 369.461 2.162 0 1 FEAF OC[C@@H]1[C@H](O)C[C@H](NC2CCC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356644960 ZBHVSIJVBDRBMB-LCLWPZTBSA-N 371.456 2.325 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)O)[C@H](O)C[C@H]1O 2356675396 UBWZMPMLSDJDSU-XREYTECCSA-N 370.486 2.014 0 1 FEAF O=C(C=Cc1ccccc1)NCC[C@H](O)CNC(=O)C=Cc1ccccc1 2356678577 LGWKKNKCOSDCAP-FQEVSTJZSA-N 364.445 2.397 0 1 FEAF NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CC1)CC3 38248875 XMMYBZHHAZNWDZ-TYCQWZJGSA-N 356.466 2.074 0 1 FEAF COc1ccccc1N1CCN(c2ccc(C(N)=O)c3ncncc23)CC1 143816224 DZHBSMVAFFGKIW-UHFFFAOYSA-N 363.421 2.064 0 1 FEAF Sc1nnc(CNc2ccc(N3CCOCC3)nc2)n1-c1ccccc1 98083650 OKSUGNWOTXMZAY-UHFFFAOYSA-N 368.466 2.400 0 1 FEAF CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1cccc(Cl)c1 96021231 GHQSNAQOIQNHAG-ZDUSSCGKSA-N 363.888 2.150 0 3 FEAF O=C(O)c1c(C[C@@H]2NCCc3cc4c(cc32)OCO4)ccc2c1OCO2 58487835 UZOSDBREZDOHGU-ZDUSSCGKSA-N 355.346 2.272 0 1 FEAF biogenic CCCCCN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@]3(O)[C@@H]1C5 473113671 JVUJAHMRKLLSTA-ZXNZYJFHSA-N 357.450 2.306 0 1 FEAF COc1cc(OC)c2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc2c1 586945486 GREQMMGFHNEGGO-UHFFFAOYSA-N 365.411 2.198 0 1 FEAF COc1ccc([C@@]2(CO)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963232999 SQWZXPFICZGOMY-PZJWPPBQSA-N 364.401 2.078 0 1 FEAF C[C@@H]1C(=O)N(C(=O)[C@H]2C[C@H]2C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]12 13443228 IGUJARIQHGSCCJ-NOYHWAJDSA-N 356.422 2.427 0 1 FEAF O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2C[C@@H](CO)C[C@@H]1Cc1[nH]ncc12 169309345 CDRQZZJANOQFIF-IETSOEAISA-N 367.858 2.122 0 1 FEAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)NC[C@@H](O)CO)cc1 774409 BOHNLGDJLQHEQB-OAHLLOKOSA-N 368.389 2.100 0 1 FEAF CC=C(CO)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@H]2C1 2356403826 VRERLMSQAWCFOO-ALVKGPMHSA-N 364.438 2.245 0 1 FEAF CC(=CCCC(=CCO)CO)CCC=C(C)C[C@@H](O)[C@@H](O)C(C)(C)O 2356410260 FTWKAMFFFFYMJW-RTBURBONSA-N 356.503 2.233 0 1 FEAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC(C)(C)O2 2487194 JTPCCONPWAOOAD-RDJZCZTQSA-N 364.486 2.416 0 1 FEAF Cn1nc(-c2ccc(S(N)(=O)=O)cc2)s/c1=N\C1CCCCC1 28349411 OFEHNIXMCHRJCA-ICFOKQHNSA-N 352.485 2.029 0 1 FEAF Oc1nnc(-c2ccncc2)c2nc(Br)c(Br)n12 28019535 FQMDQRALWOGLGY-UHFFFAOYSA-N 370.992 2.417 0 1 FEAF CCN1CCC[C@@H]1CNC(=O)c1c(O)c(CCF)cc(OC)c1OC 28523957 NCDPKFAUDDDXBP-CYBMUJFWSA-N 354.422 2.136 0 1 FEAF CCCNC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2 20510638 QEXSUXJIRRMCNU-UHFFFAOYSA-N 370.453 2.312 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C 2356746479 YOQIGAVHLYFIAF-MEJRPFCDSA-N 364.438 2.243 0 1 FEAF COc1cc(Sc2c[nH]c(=N)[nH]c2=N)cc(OC)c1Br 1911570631 IQFAXJICPCBOFL-UHFFFAOYSA-N 357.233 2.233 0 1 FEAF COC(=O)[C@H]1C[C@]23CCCN4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@H]43 238778443 XGYZDZNXCXHGBV-PJYFRALDSA-N 366.461 2.481 0 1 FEAF C[C@@H]1Cc2cc(C(=O)c3ccc4c(c3)OCCO4)ccc2N1S(C)(=O)=O 95573379 GGIYUMXDWTWJKY-GFCCVEGCSA-N 373.430 2.399 0 1 FEAF COC(=O)[C@@]12C[C@H]3C[C@@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 238733106 VGDQBNXQAOYMPS-CFWLMFDNSA-N 354.450 2.226 0 1 FEAF Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(C[C@H]2CC=CCC2)CC1 146753996 SBDYFIHZQFQZCK-HNNXBMFYSA-N 368.481 2.432 0 1 FEAF Cc1cc2c(c(C)c1CCOC(=O)[C@@H](N)CCC(=O)O)C(=O)C(C)(C)C2 238769016 SXHDYXWSBPCYJI-HNNXBMFYSA-N 361.438 2.346 0 1 FEAF C[C@@H]1CC(=O)N[C@H]2[C@H]1C[C@H](S(=O)(=O)NCc1ccccc1)C[C@H]2C 618011984 LXBLREYXEKWDHS-JCGSYMEFSA-N 350.484 2.045 0 1 FEAF C[C@@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)C=C(c2ccccc2F)NO1 587156109 MGJCRXMZDHHMHZ-KRWDZBQOSA-N 374.397 2.141 0 1 FEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Cl)c(Cl)nc2[nH]1 587205139 YBRVXPCUUDVGEA-VIFPVBQESA-N 358.229 2.344 0 1 FEAF COC(=O)[C@@H]1CNCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587791504 GBFBRCSDNYHZPQ-HCYDYPBKSA-N 371.250 2.100 0 1 FEAF COC(=O)c1cc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2cc1OC 587128485 NXXJZUDQJCBIGM-UHFFFAOYSA-N 374.307 2.400 0 1 FEAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)cc(F)c2[nH]1 586936977 BWLRYUFUCWJUDF-SSDOTTSWSA-N 357.798 2.128 0 1 FEAF COC(=O)c1nnn(-c2c(C)[nH]c3cc(Cl)c(F)cc23)c1C(=O)OC 587632546 ZNIXSSAGGXCVAD-UHFFFAOYSA-N 366.736 2.423 0 1 FEAF Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(C5CC5)c4C3)ncnn12 169711807 MOSXRSPLTNEPBR-CQSZACIVSA-N 365.441 2.031 0 1 FEAF COc1ccccc1CCOc1cc(N2CCOCC2)sc1C(N)=O 1857645640 XXGBQXROZWSJGN-UHFFFAOYSA-N 362.451 2.314 0 1 FEAF Cc1nc2ccccc2n1CCn1cnc2c(N3CCOCC3)ncnc21 1857757854 ORLDQALQTASAAL-UHFFFAOYSA-N 363.425 2.021 0 1 FEAF Cc1cc(C)n2nc(CNC(=O)c3ccc(Br)o3)nc2n1 6808164 WOSBKBHILZVWNS-UHFFFAOYSA-N 350.176 2.027 0 1 FEAF Cc1ccc2nc3c(O)n(CC(=O)NCCCOC(C)C)ncc-3c2c1 103536863 DZBCYGVUNCDMNE-UHFFFAOYSA-N 356.426 2.481 0 1 FEAF CC(=O)N[C@@H]1CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C[C@@H]1O 28567662 IFURIYNUZYASFB-ROJMHPMNSA-N 363.454 2.210 0 1 FEAF COC(=O)CCCNC(=O)c1[nH]cc(Br)c1Br 2356799919 PLGXNBPZHFAXQP-UHFFFAOYSA-N 368.025 2.223 0 1 FEAF CN(C)C(=O)c1cccc(-c2csc(N3CCC(C(N)=O)CC3)n2)c1 36380810 KKJLZPZRNAERJW-UHFFFAOYSA-N 358.467 2.214 0 3 FEAF O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)CCn1cnc2ccccc21 45364220 FGLHZNPVUKEYLX-SFHVURJKSA-N 360.417 2.296 0 1 FEAF CCOc1ccc2cc(-c3nn([C@@H]4CCOC4)c(N)c3C(N)=O)ccc2n1 221798491 YNCBHKFEHYLGFT-CYBMUJFWSA-N 367.409 2.140 0 1 FEAF CC(C)C(=O)c1c(O)c2c(c3c1O[C@H](C(C)(C)O)C3)O[C@@H](C(C)(C)O)C2 143186662 VPBDCGLRLMBBMF-OLZOCXBDSA-N 364.438 2.380 0 1 FEAF COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 257799590 ZTHVHELPCLGXHF-KRIAZZCLSA-N 364.445 2.101 0 3 FEAF in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cnn(C)c2)N1 587761301 AIQAOJTYAZIPSG-AYVTZFPOSA-N 368.206 2.184 0 1 FEAF COc1ccc(-c2nc3cnc(OC)nc3n(C[C@H]3CCCO3)c2=O)cc1 4238740 QIHPBBFGVSCTKF-CQSZACIVSA-N 368.393 2.050 0 1 FEAF Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)N1CCOCC1 6917267 ASWAEOJCPIPPCK-UHFFFAOYSA-N 363.417 2.226 0 1 FEAF C[C@H]1[C@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(C(C)(C)C)c2c1F 27428555 JZCPUYOTAZGVQJ-QPUJVOFHSA-N 365.380 2.269 0 1 FEAF COc1c2c3c(c(OC)c1OC)-c1ccccc1[C@@H]1C(=O)C(=O)N(CC2)[C@H]31 2356528978 OMCGRFPKCCDQBN-JKSUJKDBSA-N 365.385 2.485 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@H](NC2CCC2)C[C@H]1O 2356644963 ZBHVSIJVBDRBMB-RAUXBKROSA-N 371.456 2.325 0 1 FEAF CC(=O)N1CCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)CC1 72127956 FBVBHODRPYNJHG-UHFFFAOYSA-N 366.343 2.400 0 3 FEAF CCN1CN(C(=O)CSc2ncnc3sc(C)c(Cl)c23)CC1=O 1911573312 ORYZYCURTBSKDX-UHFFFAOYSA-N 370.887 2.393 0 1 FEAF COc1ccc(NC[C@@]2(C)C[C@@H](O)CC(C)(C)C2)cc1S(N)(=O)=O 84605191 WLGQQERODGNGQU-GUYCJALGSA-N 356.488 2.332 0 1 FEAF C[C@]12[C@@H]3[C@H](c4ccoc4)OC(=O)[C@@]31[C@@H](O)C[C@@]13COC(=O)[C@@H]1C=CC[C@@H]32 95909829 RSPDYFDYHDJBLU-HBDUDIKNSA-N 356.374 2.000 0 1 FEAF biogenic,in-vitro Cc1cc(-c2n[nH]c3cc(NC(=O)NCC(F)(F)CO)ncc23)ccn1 261174856 UPVXLVHKNWPPOS-UHFFFAOYSA-N 362.340 2.077 0 1 FEAF C[C@@H]1CC(=O)N[C@@H]2[C@H](C)C[C@H](S(=O)(=O)NCc3ccccc3)C[C@H]12 618011975 LXBLREYXEKWDHS-CVFLJDHBSA-N 350.484 2.045 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-[n+]3cc(=O)o[nH]3)cc1)O2 587390835 RTHMWOBUSAFHDF-IBGZPJMESA-O 352.370 2.016 0 1 FEAF COC(=O)c1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2c1 586951701 VOGAXEXAFHBYNW-UHFFFAOYSA-N 366.424 2.153 0 1 FEAF O=S(=O)(NCCc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Cl)nc1 586941830 BZGDOPOLEMYSCC-UHFFFAOYSA-N 372.784 2.411 0 1 FEAF C[C@@]1(O)CCc2c(C(=O)Nc3cnn(Cc4ccccc4)c3)n[nH]c2C1 169348890 WVDMHDQZEGPDPR-LJQANCHMSA-N 351.410 2.147 0 1 FEAF COC(=O)CSCCCc1ccccc1OC[C@H](O)CNC(C)C 1857559562 UHPANSXIOGWEQL-MRXNPFEDSA-N 355.500 2.263 0 1 FEAF COCCN(CCOC)c1nc(OC)cc(-c2c[nH]c3ncccc23)n1 63539798 SLDRUGJVYGLHPM-UHFFFAOYSA-N 357.414 2.128 0 1 FEAF COc1cc2c(cc1OCCCN1CCOCC1)N=C[C@@H]1CCCN1C2=O 29558441 JRLQATIABHKHSA-HNNXBMFYSA-N 373.453 2.117 0 1 FEAF COc1ccc2c(c1)[n+]([O-])c(C(F)(F)F)c(C(=O)c1ccccc1)[n+]2[O-] 71318270 AVOUFTZSZCJYLE-UHFFFAOYSA-N 364.279 2.365 0 1 FEAF CNC(=O)[C@H](C)C(C)(C)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 149230064 QXOSSLGIOAMEQB-JTQLQIEISA-N 353.850 2.414 0 1 FEAF COc1cc2c(cc1OC)[C@@H]1Cc3cc4c(cc3[C@](O)(C2)N1C)OCO4 95912158 VUKPRDVYZZFSQO-MGPUTAFESA-N 355.390 2.363 0 1 FEAF biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)c(OC)c1 653899353 FHGWADLDFUTPNV-AWEZNQCLSA-N 365.455 2.001 0 1 FEAF O=C1COc2ccc(CNC(=O)c3cc(-c4ccsc4)[nH]n3)cc2N1 1772632911 QWJYITIKQYKROK-UHFFFAOYSA-N 354.391 2.399 0 1 FEAF COc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1 103252824 MSGBHWXJZXCMDF-UHFFFAOYSA-N 356.407 2.200 0 1 FEAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@H]1CCCC1=O 29327816 PWIMALGNBNRQPH-INIZCTEOSA-N 367.877 2.494 0 1 FEAF Cc1cccc(-c2cccc3c(O)oc(=O)c(C(=O)NCC(=O)O)c23)c1 114872303 ZAEZVXDATUNLKE-UHFFFAOYSA-N 353.330 2.288 0 1 FEAF COc1ccccc1C(=O)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 29058846 ZKQQQJIFGNYODE-UHFFFAOYSA-N 354.753 2.409 0 1 FEAF Oc1cc(O)c(-c2n[nH]cc2N2CCC(O)CC2)cc1Br 40763150 JWMNAXPVDPMYCQ-UHFFFAOYSA-N 354.204 2.212 0 1 FEAF C[C@@H]1N[C@H]([C@@H]2CC[C@@H](CCCCC[C@@H](O)CC(=O)O)[C@H](O)C2)CC[C@H]1O 85488235 QRBRUTOUZJIBOC-HTPGJIGFSA-N 371.518 2.051 0 1 FEAF biogenic,in-vitro CCc1nc(C(=O)N[C@H](C(=O)OCC(C)(C)N(C)C)C(C)C)cs1 82070354 OHQKGLIABYQBBQ-AWEZNQCLSA-N 355.504 2.343 0 1 FEAF C[C@@]1(CNC(=O)CCC(=O)O)CCC[C@@H](O)[C@@H](O)[C@H](c2ccccc2)C1 618017207 IRUFZPUMYXNKPJ-ACZWYYKOSA-N 363.454 2.053 0 1 FEAF CCOC(=O)[C@@]1(C(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598303 SZSJBVKPFIWTDV-BEFAXECRSA-N 356.330 2.245 0 1 FEAF O=C(c1ccccc1)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1 587971265 XRVREGGDZIRRGX-QDMKHBRRSA-N 350.330 2.293 0 1 FEAF CS(=O)(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 586967584 BFSJGMISVFXASE-UHFFFAOYSA-N 363.420 2.352 0 1 FEAF COc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)n1 587747652 RAQSNAAGNGQOKZ-FUXBKTLASA-N 367.222 2.593 0 1 FEAF Cc1cc(=O)n2nc(N[C@H](COC(=N)O)c3cccc(Cl)c3)[nH]c2n1 1772657686 ARGSTTMKECFVAD-LLVKDONJSA-N 362.777 2.042 0 1 FEAF O=C1COc2cc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)ccc2N1 1857631079 JXKSWZIIXXWTEY-GFCCVEGCSA-N 358.325 2.141 0 1 FEAF O=P(O)(O)Oc1ccc(Cc2ccc(OP(=O)(O)O)cc2)cc1 3871034 LGSCVLKUKMBYNC-UHFFFAOYSA-N 360.195 2.220 0 1 FEAF in-vivo O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C1OCCO1 28257229 YUKPOYNFGXVABT-IRXDYDNUSA-N 374.437 2.152 0 1 FEAF CCCCC(=O)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 22472647 LYAYGXOIEXTVSD-HEHNFIMWSA-N 357.454 2.374 0 1 FEAF NC(=O)C1CCN(c2c(Br)cncc2Br)CC1 68204459 OYZYBFDHGXEDEP-UHFFFAOYSA-N 363.053 2.308 0 1 FEAF CC(C)c1nccn1-c1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 1911582394 FLKGOOHWMLMDAO-UHFFFAOYSA-N 358.427 2.169 0 1 FEAF C[C@H]1CC[C@@H](OC[C@H](O)CO)C(C)(C)[C@@]12Cc1cc(C(=O)O)ccc1O2 49116225 HVMFMZYINBQZHW-GHHTXBMSSA-N 364.438 2.253 0 1 FEAF COc1ccc(CCN(C)c2ccc3[nH]c(=O)c(C)nc3n2)cc1OC 82231665 AXLQFOAADIEDSL-UHFFFAOYSA-N 354.410 2.323 0 1 FEAF C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCN 82086518 NCMNLHAOGFJXHD-VIFPVBQESA-N 353.831 2.084 0 1 FEAF COc1cc([C@@H]2C[C@H](O)C[C@H]([C@@H](O)Cc3ccc(O)cc3)O2)ccc1O 238782621 UKFYIKOSRJMAAB-TXJVSEOTSA-N 360.406 2.291 0 1 FEAF COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 299879410 KRABACTZJHRREP-CDGCEXEKSA-N 350.396 2.046 0 1 FEAF OCCc1ccc2nc(-c3nccnc3I)[nH]c2c1 587186736 QXUSRYUFSLTOFO-UHFFFAOYSA-N 366.162 2.159 0 1 FEAF O=C(O)C[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350844 IHJWCRUJSWBXJJ-MAUKXSAKSA-N 360.293 2.188 0 1 FEAF CN(C[C@H](O)Cn1c2ccc(F)cc2c2ccc(F)cc21)S(C)(=O)=O 149351015 LYUDJMBZYYTGLI-ZDUSSCGKSA-N 368.405 2.325 0 1 FEAF CC1=C[C@@H]2C(=O)c3nccc(I)c3C(=O)[C@H]2N=C1 1857548470 MWJXHAADDLCVPT-XVKPBYJWSA-N 352.131 2.081 0 1 FEAF CC(=O)Nc1ccc(OC[C@@H](O)CNC(=N)C(Cl)(Cl)Cl)cc1 169323810 QDEKAWYLUWFNOT-JTQLQIEISA-N 368.648 2.322 0 1 FEAF O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(-n2c(O)ccc2O)cc1 169690710 CIMJPIAFTXHZKS-UHFFFAOYSA-N 363.329 2.024 0 1 FEAF O=C(c1cn[nH]c1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)CC1 1857549727 OOWYDYSLPFQTBZ-KRWDZBQOSA-N 351.410 2.221 0 1 FEAF O=C(c1cnco1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)CC1 1857590495 VVLNGWCYAMNGSA-INIZCTEOSA-N 352.394 2.486 0 1 FEAF NS(=O)(=O)c1cncc(-c2ccc3nccc(-c4ccncc4)c3n2)c1 201628782 BAKOSCHEPMUYGJ-UHFFFAOYSA-N 363.402 2.401 0 1 FEAF CCc1c(C)nc(N)n2c(SCC(=O)Nc3ccccc3OC)nnc12 1331367 YPHJVSFDBXFXEF-UHFFFAOYSA-N 372.454 2.317 0 3 FEAF O=C(O)C[C@@H]1OCC=C2CN3CC[C@]45c6ccccc6N[C@H]4[C@H]1[C@H]2C[C@H]35 3954351 SQIFUSVCLFHGOI-FVWCLLPLSA-N 352.434 2.242 0 1 FEAF COc1cc([C@@H]2CC(=O)C[C@@H]([C@@H](O)Cc3ccc(O)cc3)O2)ccc1O 2356538615 LEJHOEPVTHUFFK-BJLQDIEVSA-N 358.390 2.499 0 1 FEAF C[C@]1(O)OC(=O)[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@@H](O)CC[C@@]54C)[C@]2(O)CC[C@H]13 2356731839 FFZQIXTWKFKKBC-GEMIPISESA-N 364.482 2.367 0 1 FEAF C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)C1CCCCC1 61902939 MSSFZRZHDICBFH-SFHVURJKSA-N 364.467 2.063 0 3 FEAF C[C@H](c1nc2ccccc2c(=O)n1C)N1CCN(C(=O)C(C)(C)C)CC1 45371254 XNTHFEOSOOTEMV-CQSZACIVSA-N 356.470 2.185 0 1 FEAF Cc1c(N2CCN(C)CC2)c(=O)oc2cc(OCCN3CCCC3)ccc12 45370493 BXEZEVZDFCXRLP-UHFFFAOYSA-N 371.481 2.328 0 1 FEAF COc1cccc2c1N(C=O)[C@@H]1CC[C@]3(CCO)CCCN4CC[C@]21[C@H]43 85996968 QFSOOKONVLMAOB-PBASOCQRSA-N 356.466 2.309 0 1 FEAF biogenic COC(=O)c1cc(Cl)c2[nH]c(CNC(=O)c3cscn3)nc2c1 587027955 JNKLALJAEPMFGL-UHFFFAOYSA-N 350.787 2.389 0 1 FEAF Cc1cc2c(cc1O)[C@](C)(CC(=O)c1ccccc1O)N[C@H](C(=O)O)C2 963525131 LMGDQRHDLVUDGA-YWZLYKJASA-N 355.390 2.493 0 1 FEAF CCOC(=O)[C@@H]1Cc2ccncc2[C@@]12NCCc1c2c(C(C)C)nn1C 962921582 UQNQUGVQFATXNN-XOBRGWDASA-N 354.454 2.063 0 1 FEAF CCn1cncc1[C@H]1N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962630829 KSXVWSKOLWKWCD-IINYFYTJSA-N 355.316 2.490 0 1 FEAF Cc1cn2cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)nc2c(C)n1 1772578368 JRRXKWFMFTXTHO-UHFFFAOYSA-N 364.453 2.350 0 1 FEAF O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2cc[nH]n2)C1 12300867 RUQHDDDOILBBHH-OAHLLOKOSA-N 350.426 2.446 0 1 FEAF COC(=O)N1CC[C@]23c4c5ccc(OC)c4O[C@H]2[C@@H](OC)C=C[C@H]3[C@H]1C5 1857744923 PVVNISKNRZXKSV-HZLQQORQSA-N 357.406 2.292 0 1 FEAF C[C@@]1(CO)[C@H]2CCC3=C[C@H]4C[C@]3(CC[C@]4(O)C(=O)O)[C@]2(C)CC[C@H]1O 2356323646 CRKXFQVLMHNMQV-SYKPSTJLSA-N 350.455 2.098 0 1 FEAF COc1ccc(-c2cc(NC(=O)NCC(=O)O)c(C(=O)O)s2)cc1 103291420 RHUAVEAOIMMSIX-UHFFFAOYSA-N 350.352 2.328 0 1 FEAF COc1ccccc1CNC(=O)COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 102294084 NTXLMYSUNWMINW-LDSOLPTJSA-N 373.449 2.186 0 1 FEAF CNC[C@@H]1C=CN(C(=N)NC)C[C@]12[C@H]1CC[C@@H](C)[C@@]23CCC(C(=O)O)=C3C1 2356363427 JPVNSRMWLRYAAZ-LGZVPWNVSA-N 372.513 2.403 0 1 FEAF CCn1c(=O)n(C)s/c1=N\CCC1CCN(Cc2ccccc2)CC1 103279435 XWIRRJCYPXRQNW-ZZEZOPTASA-N 360.527 2.471 0 1 FEAF CCCCCCN1C(=O)COC[C@@H](NC(=O)OCc2ccccc2)C1=O 29045345 HKMOJQQODBAYPV-MRXNPFEDSA-N 362.426 2.247 0 1 FEAF C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccccn2)CC1 117387132 ONCJPEMKOFZNPQ-CQSZACIVSA-N 364.449 2.362 0 1 FEAF CC(=O)O[C@H](C)CCC[C@@H]1OC(=O)[C@H](C)[C@H](OC(C)=O)C=CCC[C@H]1O 2356496752 ZIOYEJIHNQOIKS-BSPHMWTBSA-N 370.442 2.299 0 1 FEAF CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)NC1CC1 28702061 JAYOTIYEEIFDMP-HNNXBMFYSA-N 358.398 2.077 0 1 FEAF CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NC(=O)C1CCC1 67890074 YOWPFGJZNOOEJD-QAPCUYQASA-N 361.486 2.380 0 1 FEAF CCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2cccs2)c1=O 45353255 SPFSBUXCGKGMLN-UHFFFAOYSA-N 356.407 2.200 0 1 FEAF CCC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)/C=C/CCC/C=C/[C@@H](O)C1=CC=CCC1 238737911 RDGMNPKVEAUIJA-CZHSNVKOSA-N 366.498 2.150 0 1 FEAF COc1cc([C@@H]2C[C@H](O)C[C@@H]([C@H](O)Cc3ccc(O)cc3)O2)ccc1O 253798402 UKFYIKOSRJMAAB-NFBUACBFSA-N 360.406 2.291 0 1 FEAF CCS(=O)(=O)c1ccc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c2c1 586926429 PVEUAIGOGNYSCO-UHFFFAOYSA-N 364.448 2.427 0 1 FEAF CC(=O)NC[C@H]1CN(c2ccc(C(C)=O)c(Br)c2)C(=O)O1 11524849 BKPPZGBEGUFLOF-NSHDSACASA-N 355.188 2.113 0 1 FEAF C[S@](=O)c1ccc(-c2cnc3ccc(=Nc4cnccn4)[nH]n23)cc1 1857605232 YFZUPNXXGBVULC-VWLOTQADSA-N 350.407 2.089 0 1 FEAF COCCNC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21 20512157 RWKBRQZOEKBPBF-UHFFFAOYSA-N 357.435 2.346 0 1 FEAF CO[C@H]1O[C@@H](OC)C2=C[C@H](OC(C)=O)[C@H]3C(C)(C)CCC[C@]3(C)[C@@]21O 2356503731 QWSNLCYZUAVRFO-DTZQYVILSA-N 354.443 2.397 0 1 FEAF CCC(CC)C(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)NC1CCCCC1 2356834078 JZCGLYIEXJPJIT-WCXIOVBPSA-N 368.474 2.133 0 1 FEAF CC1(C)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2[C@@H](O)[C@H]1O 13373994 UTMWJRQEAWMMPF-IEBWSBKVSA-N 370.357 2.437 0 1 FEAF biogenic Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCN(C)C)=[N+]1[B-]2(F)F 196857605 SXZBATLAPYSXND-UHFFFAOYSA-N 362.233 2.163 0 1 FEAF in-vitro CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)[C@H]4C[C@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C 85814785 WKNPIBKVHHVICI-VPMQHZFASA-N 360.406 2.029 0 1 FEAF in-man COc1ccc(N/C(=C/[N+](=O)[O-])NCCCn2cnc(C)c2)cc1OC 139823649 WEHWOHAOZUUTLE-GZTJUZNOSA-N 361.402 2.376 0 1 FEAF O=C(N[C@@H](CO)Cc1ccccc1)c1coc(-c2ccc3c(c2)OCO3)n1 82075252 MNVVYQMEGGWRCW-OAHLLOKOSA-N 366.373 2.404 0 1 FEAF CS(=O)(=O)c1cccc(C2=NCc3ccnc(OC4CCOCC4)c32)c1 96176049 WEGKVJXFOFNVIU-UHFFFAOYSA-N 372.446 2.394 0 1 FEAF CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(C)=O 95895442 KYJOFADOQIGSII-NJDAHSKKSA-N 370.424 2.304 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)CC3CC3)N(C(C)=O)[C@H]2CO)cc1 95894944 QHKKTSVDENPXAS-DCTMWCRZSA-N 356.466 2.311 0 1 FEAF CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@H]2C1 95871370 XKQHUHPFRGDKHZ-SJBKTWHCSA-N 364.445 2.179 0 1 FEAF O[C@H](CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C1COC1 261116130 IULDUAYIONNAHE-OAHLLOKOSA-N 353.344 2.259 0 1 FEAF COc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 586942871 RHYIVFFEQFTTAM-UHFFFAOYSA-N 366.830 2.141 0 1 FEAF CCOC(=O)[C@@]1(c2ccc(OC)nc2)CC(=O)c2cc(C)cc(N)c2O1 587393729 KSHRBNFBHRHZBY-IBGZPJMESA-N 356.378 2.405 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2C(CC(=O)O)(CC(=O)O)N1 587824897 AVFQWKOEUSGTPV-SSDOTTSWSA-N 360.179 2.267 0 1 FEAF CCOC(=O)c1cnn(-c2ncnc3c2sc(=S)n3CC)c1N 957877268 FIEHKNOSCSZNGT-UHFFFAOYSA-N 350.429 2.187 0 1 FEAF C[C@@]1(c2ccc(N3C(=O)CCC3=O)cc2)NCCc2nc3ccccn3c21 962986306 SHHGOEKKZUQTSQ-NRFANRHFSA-N 360.417 2.397 0 1 FEAF Cc1cccc(C2(CC(=O)N3CC(O)C3)C3CC4CC2CC(C3)C4O)c1 1772638576 UXAVOKPODWTYQL-UHFFFAOYSA-N 355.478 2.253 0 1 FEAF C[C@@H]1CCC/C=C\[C@@H]2C[C@@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C\C(=O)O1 169342826 ZZWKZQDOSJAGGF-QAWHHBORSA-N 365.470 2.075 0 1 FEAF Cc1ccc(-c2cn([C@@H]3O[C@H](CO)C[C@H]3O)c3ncnc(N)c23)cc1Cl 1857613139 DQYSTMMGZPBTFI-UCMVZMLTSA-N 374.828 2.283 0 1 FEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CC(n2cnc3ccccc32)C1 1857765872 TUWIAXBXINXZKQ-UHFFFAOYSA-N 357.391 2.011 0 1 FEAF C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1CO 103298565 HDGUWQWLWVOPOF-QMMMGPOBSA-N 372.855 2.430 0 1 FEAF C=COC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(C)cc1 26674879 PBCOXUYYTOKHQG-KRWDZBQOSA-N 361.419 2.277 0 1 FEAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1N[C@H]1CCSC1=O 82203551 RTUXJLQIJPRPHU-HNNXBMFYSA-N 361.515 2.294 0 1 FEAF Cc1nc(N)nc2c1cc(-c1cccc(CO)c1)c(=O)n2C1CCOCC1 143126038 RZOVMADNRJFLDO-UHFFFAOYSA-N 366.421 2.193 0 1 FEAF CC(C)(C)c1nccc(-c2cnc(NC(=O)N3CCC[C@@H]3C(N)=O)s2)n1 230815813 ILIMKGDDUBUFBN-LLVKDONJSA-N 374.470 2.379 0 1 FEAF O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1nccs1 95796603 LUPCTIQIYASSGU-FUHWJXTLSA-N 369.490 2.094 0 1 FEAF Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3)c2=O)c1 299856155 IICMJNPIXAQOHQ-UHFFFAOYSA-N 363.417 2.314 0 1 FEAF Cc1nc2c(Br)cccn2c1C(=O)N[C@H]1CN2CCC1CC2 653733713 QMKGXAFNTAMENM-ZDUSSCGKSA-N 363.259 2.229 0 1 FEAF CCOC(=O)[C@@]1(CC(N)=O)CCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587389938 MWSJTQSQUCNQNG-VQTJNVASSA-N 374.437 2.280 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(CCO)c2)N1 587760983 ROYRBCOAUMSINZ-BJOHPYRUSA-N 354.223 2.401 0 1 FEAF Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(O[C@@H](C)C(=O)O)cc1 587556078 SVPCWZGZDPEACD-JTQLQIEISA-N 355.350 2.187 0 1 FEAF Oc1nc(O)c2cc3c(nc2n1)CC[C@H](C1CCC2(CC1)OCCO2)C3 587563705 VYLOJMQENAZVKS-LBPRGKRZSA-N 357.410 2.474 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)NC2)N1 587794292 LTRMMVRXAGGVGG-BGFNQPPGSA-N 357.223 2.154 0 1 FEAF Oc1nc(O)c2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2n1 587082312 OBPVEVOEBVFUDV-UHFFFAOYSA-N 358.745 2.318 0 1 FEAF OCc1ccc2nc(-c3nccnc3I)[nH]c2c1 587186825 VYAUXMPTOWOGBE-UHFFFAOYSA-N 352.135 2.117 0 1 FEAF Cc1cncc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12 587204368 XFEPCDXGHVUSCJ-CYBMUJFWSA-N 354.366 2.188 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1COCCO1 587868425 KXHAFEUUQWEYTM-LLVKDONJSA-N 357.288 2.028 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C(=O)O)=NN(C)c2ccccc21 587394255 RVDCFEXGAYDMEW-IBGZPJMESA-N 351.362 2.328 0 1 FEAF COc1ccc(OC)c(C2=Nn3c(nnc3-c3cc(C)[nH]n3)SC2)c1 5461623 BDLWBVGWNXZNSU-UHFFFAOYSA-N 356.411 2.352 0 3 FEAF COC(=O)[C@@H]1C(=O)N(CCc2c[nH]c3ccccc23)C[C@@H]2CCC(=O)C[C@H]12 5810117 GYSBOPKNHJWPFD-FNHZYXHNSA-N 368.433 2.327 0 1 FEAF CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ncc(C)cc3F)c12 169697365 YXZXXPMTKRYUNV-UHFFFAOYSA-N 352.377 2.384 0 1 FEAF O=C(O)Cc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2cccnc12 3785345 QBCZSCGNGKKCPQ-UHFFFAOYSA-N 370.365 2.216 0 1 FEAF CO[C@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccco3)c2C1)c1ccccc1 53226682 MQHVLNMYOPBPQD-INIZCTEOSA-N 366.377 2.485 0 1 FEAF CNC1=Nc2cc(-c3cccc(CC(N)=O)c3)sc2N2C(C)=CN[C@H]12 101442188 ILOLEBQEKSFTEC-KRWDZBQOSA-N 353.451 2.303 0 1 FEAF CC(=O)c1ccccc1NS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 8599874 XITUXJAXXWQYQM-UHFFFAOYSA-N 360.391 2.329 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@@H](NCC2CC2)C[C@H]1O 2356289336 UBQIVEBIWLHCRB-LWYYNNOASA-N 353.466 2.044 0 1 FEAF C[C@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@@H]2CCN(C)C[C@@H]21 73164965 BVICSNQLCGMLKS-TYNCELHUSA-N 362.499 2.053 0 1 FEAF COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@H](NC=O)CC2 13434584 FMZOHNLGBVZQAC-CQSZACIVSA-N 371.389 2.179 0 1 FEAF biogenic N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1)C1CCCC1 45368457 GSAIQTLTSQNIDS-DLBZAZTESA-N 363.889 2.465 0 1 FEAF Cc1ncsc1CCn1c(=O)c(NCC(C)C)c2n(c1=O)[C@H](C)CN2 82211674 WFOPZSCNJNDYRN-LLVKDONJSA-N 363.487 2.072 0 1 FEAF Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cn[nH]c4)ccc3ncc21 261082545 BYCVGFYVNZPDJW-JOCQHMNTSA-N 364.409 2.149 0 1 FEAF O=C(NC1COC1)c1cc2c(N3CCC[C@H]3c3cccnc3)ccnc2[nH]1 1772590438 JVVRGEIOEOLTCM-KRWDZBQOSA-N 363.421 2.428 0 1 FEAF COc1cccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 205229221 BXGNOESFTZCTTN-ROUUACIJSA-N 372.446 2.427 0 3 FEAF O=C(O)C[C@H](N=c1nc(-c2ccncc2)[nH]c2cnccc12)C(F)(F)F 1857581542 QFNNCKXRUFCTPO-LBPRGKRZSA-N 363.299 2.326 0 1 FEAF COC1=C(O)CCC([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@H]2CO)=C1 2356368019 KJIONTCDDJOZNE-WAWZGNHOSA-N 362.422 2.394 0 1 FEAF COc1ccc2nc(CO[C@@H]3CN(C(=O)c4ccncc4)C[C@@H]3F)[nH]c2c1 2356302701 QGHCMKLQFKBOBG-WMLDXEAASA-N 370.384 2.346 0 1 FEAF C[C@H](C=C[C@H](CO)C(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)O[C@@H]3CC[C@]12C 2356495780 DPLUBJMWMWJWLE-KGTYKTEJSA-N 364.482 2.351 0 1 FEAF CCCCCCc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2s1 26506399 LOURILQHJUWLGR-RRFJBIMHSA-N 352.456 2.222 0 1 FEAF CCn1c(=O)n([C@@H](c2cccc(F)c2)[C@H](O)CNC)c2c(F)cccc21 43077530 CTVFQEBCIXRGTI-SJORKVTESA-N 361.392 2.271 0 1 FEAF CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F 95665338 WMSZRGOUYKZYFU-WOJBJXKFSA-N 354.425 2.387 0 1 FEAF COc1cc(Br)c([C@@H](N)c2nc3cnncc3[nH]2)cc1OC 586977169 YQZJVQKVGXTFJG-CYBMUJFWSA-N 364.203 2.181 0 1 FEAF O=S(=O)(c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1)C(F)(F)F 586914275 YRUIBBWLQBLOPF-LBPRGKRZSA-N 364.345 2.316 0 1 FEAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(O)nc(O)nc2[nH]1 587168057 RQWPZUSVFUNWBZ-SNVBAGLBSA-N 358.333 2.272 0 1 FEAF COc1cc2c(c3occc13)C[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]21CC[C@@]3(O)OC1 1772584002 UNPXGINTSIBWLZ-YANNOABASA-N 356.374 2.296 0 1 FEAF CC1(C)CC(=O)N(CC(=O)NC2CCCC2)c2ccccc2S1(=O)=O 5084333 IVDBOFMYRMXHBT-UHFFFAOYSA-N 364.467 2.034 0 3 FEAF CN1CCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1 19589877 IMCUMTUBEIVFBN-KRWDZBQOSA-N 372.473 2.259 0 3 FEAF C[C@H]1CC[C@@H]2C(=O)NC[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 169356133 CBJAXLVQLSPOSC-QOWREQOWSA-N 353.260 2.081 0 1 FEAF CCn1c2c(c(=O)n(CC3CCC3)c1=O)CN(Cc1ccccc1)CC2 1857573966 ZOKSVBPPRBISSZ-UHFFFAOYSA-N 353.466 2.388 0 1 FEAF Cc1nc(O)cc(-n2ncc(C(=O)N3CCC(C(F)(F)F)CC3)c2C)n1 1857616652 BRZYPCSAIGONGK-UHFFFAOYSA-N 369.347 2.399 0 1 FEAF N=C(N)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=N)N)cc2)cc1 3948552 NXMXVZDGJTYBCO-UHFFFAOYSA-N 366.425 2.002 0 1 FEAF CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O 28466770 KOTFNQQYSJQUKY-OALUTQOASA-N 352.434 2.447 0 1 FEAF Nc1ncc(Cc2cc(Br)c(N)c(Br)c2)c(N)n1 27109392 AXRSVXLSIKCXRM-UHFFFAOYSA-N 373.052 2.339 0 1 FEAF O=C(NCc1ccc(F)cc1)c1nc2c3ccccc3on2c(=O)c1O 64548740 JQGGJVMHMXIAHH-UHFFFAOYSA-N 353.309 2.215 0 1 FEAF CC(C)c1c(Sc2ccccc2)n(CSCCO)c(=O)[nH]c1=O 27096795 NJVOBYBIFAAHQE-UHFFFAOYSA-N 352.481 2.494 0 1 FEAF CC=C1CN2CC[C@H]1[C@]1(C(=O)OC)C(=O)[C@]3(C=Nc4ccccc43)C[C@H]21 2356560400 YKPZGONKWNPTTK-XQBGALMBSA-N 350.418 2.423 0 1 FEAF CC(C)(C)C(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccccn3)on2)CC[C@H]1O 2356731964 OTRPJNIHGHUQBJ-LESCRADOSA-N 373.453 2.350 0 1 FEAF CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H](CO)[C@@H]2N(C(C)=O)c1ccccc13 2356733908 FOIHCGYTOYBKSL-FTIBCMOBSA-N 368.477 2.139 0 1 FEAF NC(=O)C1CCN(c2ncc(-c3cccc(N4CCOCC4)c3)s2)CC1 66123567 JZDUZGZDWCJSCR-UHFFFAOYSA-N 372.494 2.348 0 1 FEAF CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4cccnc4)cc3OC[C@@H]12 73163138 MWLSOPZILZXFRJ-RDJZCZTQSA-N 357.341 2.110 0 1 FEAF CCCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C(C)=O 95895731 OLEGCAPACSSNFZ-NJDAHSKKSA-N 353.466 2.423 0 1 FEAF COc1ccc(C=c2nc(O)c(=Cc3ccccc3)n(CC3CC3)c2=O)cc1 257909868 RGENGXJJBHZRKG-UHFFFAOYSA-N 374.440 2.025 0 1 FEAF investigational O=C(O)c1ccnc(-c2cn([C@H]3CCN(C(=O)c4ccccc4)C3)nn2)c1 473136336 QAMWHKMCPLOTNR-HNNXBMFYSA-N 363.377 2.126 0 1 FEAF Oc1nncc2nc(-c3cc(I)ccc3F)[nH]c12 587182235 GESZRNNMLMJGDL-UHFFFAOYSA-N 356.098 2.469 0 1 FEAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587140651 HPPGYURVTGXZEX-UHFFFAOYSA-N 363.370 2.178 0 1 FEAF O=C(O)[C@H]1C(c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H]1C(=O)O 587971205 WCEOQLXKAHSAFY-YUMQZZPRSA-N 359.563 2.478 0 1 FEAF Cn1ncc2c(N3CCC[C@H]3CO)nc(Nc3ccc(F)c(F)c3)nc21 1772573487 NRTGVCGCLFNWGC-NSHDSACASA-N 360.368 2.346 0 1 FEAF COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1cc(O)cc(O)c1 1857614327 ZVLZYCGCNQAYOK-INIZCTEOSA-N 361.419 2.303 0 1 FEAF Cc1[nH]c(C(=O)Nc2c[nH]c(C(=O)NCC(=O)O)c2)c(Cl)c1Cl 1857643204 KOQVKKPMOLRYMY-UHFFFAOYSA-N 359.169 2.025 0 1 FEAF O=C(OC[C@]12O[C@H]1C=C[C@@H](OC(=O)c1ccccc1)[C@H]2O)c1ccccc1 105491833 BHNSEWKVMCNSGO-IIMDRIAPSA-N 366.369 2.137 0 1 FEAF CCC[C@@H](O)CN1CC(C)(C)CN(C(=O)CCc2ccccc2)CC1=O 105847967 AUVXOONVUOAFRN-GOSISDBHSA-N 360.498 2.477 0 1 FEAF Cc1cccc(C)c1NC(=O)[C@H]1C(=O)c2sccc2N(C)S1(=O)=O 100254849 YPGZJJDHEDVKFE-OAHLLOKOSA-N 364.448 2.335 0 1 FEAF COC(=O)/C=C/c1ccc2c(c1)[C@H](O)C(=O)N2Cc1ccc(OC)cc1 103230726 JEANTZKKHGWOQZ-IUYMFKLXSA-N 353.374 2.462 0 1 FEAF O=C(O)CCCC=CC[C@@H]1C(=O)C[C@H](O)[C@H]1C=C[C@H](O)CCCCCO 2356698024 AZIGEYVZEVXWAD-DFEOGRTESA-N 368.470 2.224 0 1 FEAF O=C(CC1(c2ccc(F)cc2)C2CC3CC1CC(C2)C3O)N1CC(O)C1 43194233 SZLRYNWIWOWVSN-UHFFFAOYSA-N 359.441 2.084 0 1 FEAF COc1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3cccnc3)C(=O)O2)cc1 40894747 YNVMEESJFVULDO-SIBGDRKGSA-N 369.373 2.009 0 1 FEAF O=C(O)c1cc(-c2ccccc2)c(=O)n2c1S(=O)(=O)c1ccc(F)cc1-2 82152917 OXQVGGRPCDNNDP-UHFFFAOYSA-N 371.345 2.488 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]42)[C@@H]1[C@@H]5C31OCCO1 587409829 URWLXFJWWMIFAM-XOGMYDFCSA-N 365.429 2.412 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CNCn3ccc(N)c32)N1 587770868 RQMYGTLRIVCFJM-XXFAHNHDSA-N 365.250 2.310 0 1 FEAF O=C(CCn1nnc2ccccc21)N1CCN(c2ccccc2F)CC1 201447361 KGAMJSQNLXEWRL-UHFFFAOYSA-N 353.401 2.309 0 3 FEAF Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)n1CC(C)C 4860299 VASCTKFFNHUROA-UHFFFAOYSA-N 364.471 2.453 0 3 FEAF O=C(COc1ccccc1)N1C[C@H](F)[C@H](OCc2nc3cccnc3[nH]2)C1 2356299013 QYFQIVGGJUDPPF-GOEBONIOSA-N 370.384 2.102 0 1 FEAF C[C@@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)CC1CCCC1 61907020 SMCNKIKDNSHWJW-INIZCTEOSA-N 370.496 2.124 0 3 FEAF COc1cc(O)cc([C@H]2OC[C@H](C(=O)c3ccc(O)c(OC)c3)[C@@H]2CO)c1 29125697 PSOMGRNIAXLWFK-TWOQFEAHSA-N 374.389 2.294 0 1 FEAF biogenic,in-vitro O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCCC1 20418779 JNGOLHRVEDZNEL-UHFFFAOYSA-N 373.497 2.114 0 3 FEAF COC(=O)C1=C2[C@](C)(CC[C@H](OC=O)[C@]2(C)C(=O)OC)c2ccccc21 2356703446 CWVFPXBNVZCOCD-KPOBHBOGSA-N 358.390 2.399 0 1 FEAF CC(=O)N[C@@H]1CO[C@@H]2[C@H](OC(=O)Nc3cccc4ccccc34)CO[C@@H]21 2356842551 MVOQAYJFPWZODK-BRSBDYLESA-N 356.378 2.059 0 1 FEAF CC(C)(C)OC(=O)N1CC(OC[C@@H](O)CN2CCc3ccccc3C2)C1 219741363 MHJKVZWCSQCFPR-KRWDZBQOSA-N 362.470 2.042 0 1 FEAF CCCn1c(=O)c2c(nc(-c3ccccc3)n2C)n(C[C@@H]2CCCO2)c1=O 45364038 VCIIOUUPQGNWHP-HNNXBMFYSA-N 368.437 2.153 0 1 FEAF COc1ccnc(Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)c2)n1 145503178 ZVVHGCHZVFJFGH-INIZCTEOSA-N 367.331 2.216 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1 587133869 FVUYRHVRZPGBSK-UHFFFAOYSA-N 353.350 2.464 0 1 FEAF O=C(CN1CCCC1=O)NCc1cccnc1Oc1ccc(F)c(F)c1 12304657 XRMWTWCEJHXURC-UHFFFAOYSA-N 361.348 2.391 0 1 FEAF COc1ccc(Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1 12479973 FGOMPZIBFLBLGA-UHFFFAOYSA-N 356.430 2.061 0 3 FEAF Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccnc2C1=O 13588620 YJZJTIDKFBOCHJ-UHFFFAOYSA-N 352.394 2.459 0 1 FEAF Cn1c(=O)n(C)c2cc(CNC(=O)c3ccc([C@@H]4CCCN4)s3)ccc21 19730958 OSFXGDRZZCJOMN-ZDUSSCGKSA-N 370.478 2.293 0 1 FEAF CCNc1ncc2nc(CCc3ccccc3)c(=O)n(CCOC)c2n1 4238451 HERUFJJLAVAWCZ-UHFFFAOYSA-N 353.426 2.050 0 1 FEAF COc1cc(/C=c2\sc3nc(C)cn3c2=O)c(Br)cc1O 1857585878 DVIXJQODYJQPJF-QCDXTXTGSA-N 367.224 2.089 0 1 FEAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC(=O)[C@@]13C[C@@H](CC[C@@H]21)[C@](O)(CO)C3 2356413274 VRIMVJLJGZEEBA-CWWLTCFXSA-N 350.455 2.386 0 1 FEAF CC(=O)[C@H]1[C@@H](c2ccc3ncccc3c2)NC(=O)N[C@]1(O)C(F)(F)F 4057005 JLCFJNZTUINILZ-GZBFAFLISA-N 353.300 2.045 0 1 FEAF CO[C@@H]1CC[C@H](c2ccc(C3=C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O 26751697 ILJHZGAHUBQWII-OXFYSEKESA-N 371.433 2.373 0 1 FEAF CCC[C@@]1(Cc2cc(OC)c(OC)c(OC)c2)C(=N)NC(=S)NC1=O 103169224 PBNNGMYUPPYEFX-QGZVFWFLSA-N 365.455 2.023 0 1 FEAF Cc1ccccc1C(=O)n1c(=O)c(F)cn(C(=O)Oc2ccccc2)c1=O 28762870 XAYDLLPRXCBQKK-UHFFFAOYSA-N 368.320 2.193 0 1 FEAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(CNC(C)=O)c1 28360847 HNIINHYMVXSHHT-UHFFFAOYSA-N 355.438 2.179 0 1 FEAF COC(=O)[C@]1(O)C[C@@]2(C(C)=O)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 14829322 VLNTZJVJKUHBHN-HMXCVIKNSA-N 368.433 2.132 0 1 FEAF biogenic C[C@@H]1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@@H]1C(=O)OC[C@H]1O 96935362 LNWUDQLCSLNXLR-NAYLMVJNSA-N 354.487 2.122 0 1 FEAF CN(c1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 141931003 OAMYAUKVQLFPHC-CYBMUJFWSA-N 363.381 2.453 0 1 FEAF CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1CC(=O)NCc1ccccc1OC 25427785 MRUVCVHLSPQDSV-HUUCEWRRSA-N 368.499 2.009 0 1 FEAF biogenic NC(=O)c1cnn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 587528041 WIMDZADVFQBVHK-KRWDZBQOSA-N 362.389 2.414 0 1 FEAF O=P(O)(O)C(CNc1cccc(-c2ccccc2)c1)P(=O)(O)O 13673775 ZZAHNSHQUCHSBD-UHFFFAOYSA-N 357.239 2.447 0 1 FEAF COc1cc2c(cn1)OC[C@]21C(=O)N(C[C@H]2CCCO2)c2ccccc21 103177717 ZPBJZVCHEDJNGK-ZUOKHONESA-N 352.390 2.294 0 1 FEAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(CC3CC3)CC2)cs1 2356289840 BCIKEZQYYQCLSZ-INIZCTEOSA-N 365.543 2.447 0 1 FEAF O=C1NC(=O)[C@@H](Cc2ccc(OCc3nc4ncccc4[nH]3)cc2)S1 26835049 XQQMJTDMCGTLHU-CYBMUJFWSA-N 354.391 2.431 0 1 FEAF O=C1NC(=Cc2c[nH]c3cc(Br)ccc23)C(=O)N2CCC[C@@H]12 2356770574 BXFWRBXQKKIJQG-AWEZNQCLSA-N 360.211 2.392 0 1 FEAF COc1cc(C(=O)n2nc(Nc3ccccc3)nc2N)cc(OC)c1OC 299828568 NWWKEGGBLFMMNL-UHFFFAOYSA-N 369.381 2.318 0 1 FEAF C[C@@H]1CC=CC[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587970228 DLFYHHGSVCUKOJ-NVXWUHKLSA-N 368.481 2.383 0 1 FEAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 586937907 HDSCJZVVLIZDFM-LLVKDONJSA-N 372.450 2.406 0 1 FEAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(=N)N)cc2[nH]1)C(C)C 586933834 YNQCTMSHOCKFJL-CQSZACIVSA-N 351.476 2.264 0 1 FEAF NC(=O)[C@@H]1Nc2ccccc2C(=O)[C@@]12c1c(F)cccc1C[C@H]1CCCN12 963109805 PWFHOJGFDHIVTJ-LZHZSBQWSA-N 365.408 2.204 0 1 FEAF COc1cc(O)c2c(c1OC(C)=O)OC[C@@H](Cc1ccc(O)cc1)C2=O 14811061 NXGGYXKVAVMQLL-GFCCVEGCSA-N 358.346 2.466 0 1 FEAF endogenous,in-man CN(CCc1ccccc1)CCn1c(O)c2n(c1=O)Cc1ccccc1C2 169718910 FCLUGLXZEXTWLG-UHFFFAOYSA-N 363.461 2.482 0 1 FEAF Cc1cccc(C)c1-n1nnnc1[C@H]1C(=O)NC(=S)N1c1ccccc1 206054345 IXYXZSLAYVAZOC-HNNXBMFYSA-N 364.434 2.242 0 3 FEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CC=C(c2ccccc2)CC1 4434763 BTXJCYPAPYUGFZ-HNJRGHQBSA-N 362.429 2.109 0 1 FEAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)N1CCCC[C@@H]1C 8604857 NQWGQVYJOVXBRV-JTQLQIEISA-N 370.375 2.463 0 1 FEAF CC(C)=CCc1[nH]c2cc(N)ccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O 29061926 RQTDJDRXMULVIU-OALUTQOASA-N 366.465 2.291 0 1 FEAF N[C@H]1NC=Nc2c(CN3C[C@@H](O)[C@@H](CCCc4ccccc4)C3)c[nH]c21 28468540 VHJIRTUSMSLFBE-VPWXQRGCSA-N 353.470 2.051 0 1 FEAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C)[C@@H]1c1cccnc1 26568035 RNGHHZVYNYADLG-PQMNFKMDSA-N 359.426 2.435 0 1 FEAF CC1(C)NC(=O)N(C[C@H](O)COc2cccc(-c3ccccc3)c2)C1=O 66074337 LDSJBJGFIZNAJF-INIZCTEOSA-N 354.406 2.424 0 1 FEAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 61907872 JQJYEXWIMQTYSI-KRWDZBQOSA-N 356.825 2.484 0 3 FEAF Cn1c(N2CCN[C@H](c3cccc(F)c3)C2)nc(-c2ccncc2)cc1=O 34409763 DJMJEGQJWVSHQL-SFHVURJKSA-N 365.412 2.132 0 1 FEAF C[C@@H](O)COC[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1 38278897 CDKPAWCGPQDCGU-APWZRJJASA-N 357.450 2.450 0 1 FEAF in-vivo CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](C)CN2 82212140 USSOBDLNCDACBN-ZDUSSCGKSA-N 357.458 2.288 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 82207754 TYKANTMROQEWMF-OWTNABIDSA-N 366.502 2.159 0 1 FEAF NC1=N[C@]2(CO1)c1cc(Br)ccc1OC1(CCC1)C21COC1 149229143 RUGHZTZOMNIPQG-MRXNPFEDSA-N 365.227 2.321 0 1 FEAF O=C(O)c1cccc(S(=O)(=O)NNc2ccc(Br)cc2)c1 97950512 MUYHJCOVKPCFLZ-UHFFFAOYSA-N 371.212 2.453 0 1 FEAF CC(C)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CCc1ccccc1 142994176 SQLRJUQIEIKKCK-UHFFFAOYSA-N 355.438 2.212 0 1 FEAF NC(=O)c1cccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)c1 621430238 PPRRSOWEHAZWHG-GOSISDBHSA-N 364.401 2.379 0 1 FEAF C/C(N)=C1/C(=O)OC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587746835 IESPUYMTUNYPIK-IWTXEPCTSA-N 355.207 2.107 0 1 FEAF COc1nccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 587193789 QHKIXPPZYQBZLK-UHFFFAOYSA-N 354.410 2.486 0 1 FEAF O=C1c2ccc(O)cc2O[C@]2(C=C(CO)OCC2=O)[C@@H]1c1ccc(F)cc1 587355896 GVLLPWIKKJBZKX-QUCCMNQESA-N 370.332 2.105 0 1 FEAF COC(=O)c1ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c1OC 587094242 NUNBAEUSSLLOGU-SSDOTTSWSA-N 359.304 2.488 0 1 FEAF CN1CCN(c2ccc3nc(-c4c(N)cccc4C(=O)O)[nH]c3c2)CC1 587250898 VIQNNYQWSGNKLM-UHFFFAOYSA-N 351.410 2.262 0 1 FEAF CN1C(=O)C[C@H]2CN[C@](c3cnn(C)c3)(C(F)(F)F)c3cccc1c32 963016081 CGPRMRLWEGECJL-QFYYESIMSA-N 350.344 2.279 0 1 FEAF COC[C@H]1CCCN(C(=O)c2ccc(NCc3cn(C)nc3C)nc2)C1 15068872 GHNMYQXUEBYGED-HNNXBMFYSA-N 357.458 2.234 0 1 FEAF COc1c(O)cc(O)c2c(=O)cc(-c3cccc(N4CCNCC4)c3)oc12 1857548394 FJSWYDAYRDPTSF-UHFFFAOYSA-N 368.389 2.289 0 1 FEAF CC(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1 13796968 IRBTZGUNVJTAPX-NSHDSACASA-N 365.484 2.084 0 1 FEAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)c1 4049504 YXDSGGPZFCWXLO-MJGOQNOKSA-N 354.406 2.286 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@]2(O)C(=O)CC[C@H](C)[C@@]12C 2356507889 JRRUBQLITXADFJ-NDMJGPQHSA-N 360.406 2.372 0 1 FEAF COc1cc2c(cc1O)C=CC1=c3cc(OC)c(OC)cc3=CN(C)[C@@H]12 2356845025 OATSHHMRWPYDJJ-NRFANRHFSA-N 351.402 2.020 0 1 FEAF C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)[nH]1 147084650 QAKYIKOVPVVHEH-ZDUSSCGKSA-N 370.478 2.496 0 1 FEAF C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 253979375 NNNNVKKBPBVBKU-KBRIMQKVSA-N 350.484 2.068 0 3 FEAF aggregator CN1CCCCC[C@H]1C(=O)NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1 299845327 OPTQXHBMGQPWHE-MJGOQNOKSA-N 366.465 2.438 0 1 FEAF CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1c1ccccc1 299871941 ZNDJCLCWTRQFFE-SFHVURJKSA-N 362.426 2.420 0 1 FEAF C=CN1CC[C@H]([C@]2(c3cnccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587397303 ZOSCVLSDJGLQBS-XOBRGWDASA-N 364.405 2.220 0 1 FEAF Cc1c(I)cnn1[C@@H](C)c1nc2cncnc2[nH]1 587183338 XJHVFIVAONQPAB-ZETCQYMHSA-N 354.155 2.072 0 1 FEAF CC[C@H](c1nc2ncc[nH]c-2n1)n1cc(I)c(C)n1 587186077 ZOSQCRJNSYHBLF-SECBINFHSA-N 368.182 2.413 0 1 FEAF COC(=O)C[C@]1(c2cnn(C)c2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962634207 QHGRTFAUYOGOOJ-RBZFPXEDSA-N 373.453 2.120 0 1 FEAF CC(=O)N1CCC(N2C[C@@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)CC1 2356349358 DEVKKSKVEUQZOB-CRAIPNDOSA-N 360.433 2.113 0 1 FEAF COC(=O)[C@H]1[C@H]2C[C@@H]3C4=Nc5ccccc5[C@@H]4CCN3C[C@H]2[C@@H](C)O[C@H]1O 2356416186 KVUXCGFGKOCLAE-RBQMTTFCSA-N 370.449 2.093 0 1 FEAF CN1[C@H]2O[C@@H](c3cc4c(cc32)OCO4)[C@@H]2c3cc4c(cc3[C@H](O)[C@H]21)OCO4 2356689627 QVOJMJUPCVSMKD-DEPCRRQNSA-N 367.357 2.359 0 1 FEAF COc1ccc2nc(CO[C@H]3CN(C(=O)c4cccnc4)C[C@@H]3F)[nH]c2c1 2356743637 RUFJARDCTCHALG-YOEHRIQHSA-N 370.384 2.346 0 1 FEAF O=C1CC[C@H](N2Cc3c(OCc4ccccc4)cccc3C2=O)C(=O)N1 140803126 MOGHNNIVWVOLSV-INIZCTEOSA-N 350.374 2.027 0 1 FEAF O=c1c2ccc(NCCO)c3c2n(c(=O)n1-c1cccc(Cl)c1)CCC3 34947964 FCVYZUDZEXCASC-UHFFFAOYSA-N 371.824 2.156 0 1 FEAF CC(C)[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82206634 FKSXVEAWXAABMY-MRXNPFEDSA-N 372.444 2.469 0 1 FEAF C[C@@H]1C[C@]23C(=O)O[C@@]2(C)CCCC[C@@H]3[C@@]1(CO)CC/C(=C/CO)CO 238760429 LWJPKBGAFAPXRA-OFHCMMHBSA-N 352.471 2.188 0 1 FEAF CN[C@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@@H]3CC[C@]12C)[C@H]45 238738681 ZFYJZNYQGKBHJQ-XUBJBFCUSA-N 361.482 2.038 0 1 FEAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cncc(Cl)c3[nH]2)cc1 586931964 QOLPXEWTSUKPEY-UHFFFAOYSA-N 366.830 2.441 0 1 FEAF CC(C)c1nn(C)c2c1[C@H](c1cccc(S(=O)(=O)N(C)C)c1)NCC2 962914159 RYXYVXUWUQVTQE-SFHVURJKSA-N 362.499 2.029 0 1 FEAF CN(C)CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21 13824849 FKWPSUGPCLDOIA-UHFFFAOYSA-N 357.845 2.430 0 1 FEAF COc1ccc(-n2cc(CN3C(=O)C(=O)c4cc(OC)ccc43)nn2)cc1 205213800 AKQJCKCHPXEYKI-UHFFFAOYSA-N 364.361 2.014 0 3 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCC4CCNCC4)c(=O)n1c23 1857621735 PVJCSGRBHJBGDF-NSHDSACASA-N 373.428 2.083 0 1 FEAF Oc1cc(Cc2cccc(Cl)c2)nn1-c1cc(-c2nnn[nH]2)ccn1 146550400 JSYPKKPEICDDPF-UHFFFAOYSA-N 353.773 2.397 0 1 FEAF CCN(CC)CCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C 2465439 XEACIBSBZDOZCN-UHFFFAOYSA-N 354.454 2.102 0 1 FEAF O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N[C@H]1CCCc2ccccc21 100487964 LUYDYUNUZBCJEW-UHBFJLORSA-N 364.445 2.377 0 1 FEAF CC(C)CCn1nnnc1[C@@H](c1ccccc1)N1CCC(C(N)=O)CC1 59946947 GNLIJWXOLAWIKS-QGZVFWFLSA-N 356.474 2.006 0 3 FEAF COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)O[C@@H](C1CC1)CC2 53683294 NDFSISRMJLBWAF-CQSZACIVSA-N 356.426 2.353 0 1 FEAF in-vivo N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3ncc[nH]3)cc2)c1 26375872 YDNUAHWJIIYVHQ-UHFFFAOYSA-N 363.421 2.429 0 1 FEAF COc1cccc2nc(C[C@@H]3CN(C(=O)C4CC4)CC[C@H]3CC(=O)O)[nH]c12 2356719054 NJKRKHAHORWAIH-UONOGXRCSA-N 371.437 2.463 0 1 FEAF COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](NCC(C)C)CO[C@@H]23)cc1 2356841471 NJCDZILXYSAIGJ-VQHPVUNQSA-N 350.415 2.024 0 1 FEAF CC(C)NC(=O)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc2C1 2356844248 NSSMDFKEHFZVHA-NRSPTQNISA-N 370.541 2.463 0 1 FEAF CS(=O)(=O)c1n[nH]c(-c2nc(Cc3ccccc3F)c3ccccn23)n1 73195929 QZVAYNBXVODWLU-UHFFFAOYSA-N 371.397 2.253 0 1 FEAF CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224728344 BOAJZVIFWACYLN-UHFFFAOYSA-N 358.398 2.440 0 1 FEAF O=S(=O)(N[C@@H]1CCN(CCOc2ccccc2)C1)c1ccc(F)cc1 95572660 LHMHWJFZTBPLDP-MRXNPFEDSA-N 364.442 2.257 0 1 FEAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cncnc2[nH]1 586952313 BGGXYRFXUPADTD-UHFFFAOYSA-N 358.408 2.277 0 1 FEAF Cc1nc2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc2cc1Br 587260450 YBDLAZOLIOADOU-LBPRGKRZSA-N 374.242 2.370 0 1 FEAF Cn1cc(-c2ncc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)s2)cn1 587021616 MRSPZYNVHQRXLX-UHFFFAOYSA-N 359.436 2.490 0 1 FEAF NS(=O)(=O)Cc1ccc(-c2nc3cnc(Br)cc3[nH]2)cc1 586930211 NYGPDQCTLGYXNV-UHFFFAOYSA-N 367.228 2.176 0 1 FEAF NCc1cc(=O)c2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2o1 1857534444 RCTASRRLQXTDFE-UHFFFAOYSA-N 363.417 2.214 0 1 FEAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)cc1 4049212 AKFGUWYEEONLBK-PKOBYXMFSA-N 354.406 2.286 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccc2ncccc2c1 4168437 WYGMMUBQAMBGGY-FTUNRGFVSA-N 361.401 2.371 0 1 FEAF CCC/C=C(\NC(=O)[C@H]1CC1(Br)Br)C(=O)O 26020533 IPSBJOSZGHSTSI-CDXJMXTPSA-N 355.026 2.377 0 1 FEAF CCNC(=O)N1CCC(Nc2nccc(-c3cnc4ccccn34)n2)CC1 28896461 WWHNHBJMWMVKHQ-UHFFFAOYSA-N 365.441 2.397 0 1 FEAF Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)/c(=N/O)c2ncccc21 72317420 CSPSTZRDBIHKMN-HZHRSRAPSA-N 352.329 2.038 0 1 FEAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(Nc5ccccc5C4=O)[C@H]3C[C@H]12 238733095 PXVFCFIYPGUUNJ-KDNYDQBGSA-N 368.433 2.220 0 1 FEAF CC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO 95871454 XKQHUHPFRGDKHZ-URVUXULASA-N 364.445 2.179 0 1 FEAF Cc1ccc(-n2ncc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cc1 147015559 YVICFXHLANGWOS-LJQANCHMSA-N 363.421 2.489 0 1 FEAF CC[C@@H]1CN(C(=O)NC(C)C)CC[C@@H]1CC(=O)N[C@H](CO)CC(C)C 36368058 DHLMLMAXOBXOJG-ZACQAIPSSA-N 355.523 2.366 0 1 FEAF biogenic COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4c(cc3[nH]1)OCC(=O)N4)C2 587247003 LDEFGDAOEWXJJV-FQEVSTJZSA-N 364.405 2.245 0 1 FEAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C2CCN(CC2)[C@@H]1C(=O)OC 587487951 ZIDIQNMARXFYSQ-QUCCMNQESA-N 359.422 2.316 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@]4(C(=O)O)CC[C@H]1C4(C)C)[C@@H](C2)C3=O 587451219 QLIRIYXYJGCWKZ-CRVOVAFGSA-N 356.374 2.271 0 1 FEAF C[C@@H](NC(=O)Nc1cc2c3c(n1)COC(=O)N=C3NN2)c1ccccc1 1772617402 PVLQYJSYLAJXKM-SECBINFHSA-N 352.354 2.291 0 1 FEAF O=C(CS(=O)(=O)c1c[nH]c2ccccc12)Nc1ccc2c(c1)OCO2 2461671 HBJBBBKHNAVECH-UHFFFAOYSA-N 358.375 2.309 0 1 FEAF COc1cccc(CCN2C=N[C@H]3C(=O)NC(Cc4ccccc4)=N[C@H]32)c1 1857548082 VDGBXWCKYAESKO-UXHICEINSA-N 362.433 2.047 0 1 FEAF N=c1nc(-c2c(F)cccc2CO)[nH]c(=NCCCCc2ccccc2)[nH]1 1857581414 OAAJIVATZFBACB-UHFFFAOYSA-N 367.428 2.439 0 1 FEAF O=C(O)c1ccc(N2CCN(C(=O)COc3cccc(F)c3)CC2)cc1 1857591869 ZFEXGUVIWYAMFB-UHFFFAOYSA-N 358.369 2.252 0 1 FEAF CC(C)=CC(=O)O[C@@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2(C)[C@@H]1C 2356683130 ILKRCFPIERWOTH-BAPHQFHRSA-N 364.438 2.387 0 1 FEAF CC(=O)OCC1=C[C@H](O)C[C@]2(C)[C@@H]1CC[C@@H]1C[C@H]3C[C@@]12CC[C@@]3(O)CO 2356739055 YCJCQOJMBQQSIB-MZLRYNDKSA-N 364.482 2.187 0 1 FEAF CNC[C@@H]1CCN(C(=N)NC)C[C@]12[C@H]1CC[C@@H](C)[C@@]23CCC(C(=O)O)=C3C1 2356839621 LWJIWZZVVNGGQT-LGZVPWNVSA-N 374.529 2.279 0 1 FEAF CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN(C)C 82082639 HGUPFJOYSGJNQP-AWEZNQCLSA-N 365.455 2.262 0 1 FEAF COc1cc(O)c2c(=O)c(S(=O)(=O)O)c(-c3ccc(O)cc3)oc2c1 238764514 LRAHJSBOVKDDEE-UHFFFAOYSA-N 364.331 2.127 0 1 FEAF CC[C@H](O)c1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(C)nc12 140456077 CQIVCBJKDYNCEP-AWEZNQCLSA-N 367.388 2.322 0 1 FEAF CCOC(=O)C(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798930 QCCDADOIDMEJQY-ANRSDYALSA-N 358.207 2.470 0 1 FEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(OCCN(C)C)cc2[nH]1 586962951 VPBDBIZTDFNCOE-JTQLQIEISA-N 374.470 2.434 0 1 FEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Cl)c(Cl)nc2[nH]1 587205138 YBRVXPCUUDVGEA-SECBINFHSA-N 358.229 2.344 0 1 FEAF COc1cc(C)c(N)c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 587248681 FHVNHWAFKJRILN-UHFFFAOYSA-N 360.439 2.379 0 1 FEAF Nc1cccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1C(=O)O 587250854 SZULUWDTQYJKMQ-UHFFFAOYSA-N 352.394 2.343 0 1 FEAF CNC(=O)C[C@H]1Oc2ccccc2-c2cc3c(c(C)c21)N(C)C(=O)C3=O 1772597154 ODOKAGOYCADTAT-OAHLLOKOSA-N 350.374 2.391 0 1 FEAF COc1ccc(CNCc2ccccn2)cc1OC[C@H](O)CN(C)C(C)C 12308327 IBGGUHWUIYSTCW-LJQANCHMSA-N 373.497 2.460 0 1 FEAF O=C1C[C@@H](C(=O)O)Nc2cc(Cl)cc(I)c21 13455141 PFABOWHTRBDUCE-ZETCQYMHSA-N 351.527 2.396 0 1 FEAF CN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2466613 KMXPPTAFUIKKDW-VQTJNVASSA-N 363.461 2.201 0 1 FEAF COC1=C(O)CCC([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO)=C1 59586731 KJIONTCDDJOZNE-KPHUOKFYSA-N 362.422 2.394 0 1 FEAF biogenic,in-vitro COc1ccccc1C(=O)[C@](O)(Cn1cncn1)c1ccccc1OC 26008483 KTGXKZCVWOQIAJ-IBGZPJMESA-N 353.378 2.066 0 1 FEAF COC(=O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)[C@H](O)OC2=O 2356695750 VIETWRMQYIXKOG-QGZVFWFLSA-N 350.367 2.313 0 1 FEAF O=S(=O)(N1CCCC1)N1CCc2[nH]nc(/C=C/c3ccccc3)c2C1 20599483 JBRGPVHZAXDOSN-CMDGGOBGSA-N 358.467 2.279 0 1 FEAF C[C@@H]1C(=CCO)C=C[C@@H]2[C@@H]1CC[C@]1(O)[C@]2(C)CC[C@H](O)[C@@]1(C)C(=O)O 2356722885 SIYWUVAANMMTCY-IZAYAAFUSA-N 350.455 2.120 0 1 FEAF Cc1c(OCC(=O)N[C@H](C)C(=O)O)ccc2c1oc(=O)c1ccccc12 6167249 DHCNRCCJWVIOOE-LLVKDONJSA-N 355.346 2.223 0 1 FEAF biogenic CN(C)CCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085524 JBGNOAVVRGJXCK-CYBMUJFWSA-N 363.439 2.113 0 1 FEAF CCCCNC(=O)[C@H](C)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82083253 YGHNAJWMWGVZDK-NSHDSACASA-N 359.382 2.105 0 1 FEAF Cc1cc(C)nc(Sc2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)n1 95587440 PKQIZTGHFBCYEN-UHFFFAOYSA-N 367.349 2.448 0 1 FEAF in-vitro CCCc1c(O)ccc2c1O[C@](C)(c1cn(CC(=O)OCC)nn1)CC2=O 587474924 IJRWTSQOXDGDQC-IBGZPJMESA-N 373.409 2.380 0 1 FEAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc3c(c2[nH]1)CCCC3 586939874 SRYOAUBMPIZPHH-LLVKDONJSA-N 359.455 2.215 0 1 FEAF C[C@@]1(c2ccc(N3C(=O)C=CC3=O)cc2)NCCc2nc3ccccn3c21 962982794 KPKZWFNCAPFQPI-NRFANRHFSA-N 358.401 2.173 0 1 FEAF N[C@H]1CCN2c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3CCC[C@H]12 113155056 IFCSMPVIARGNPA-JKSUJKDBSA-N 371.412 2.416 0 1 FEAF COCCNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C 13660759 MZZDTQXXKZJNQU-AYOQOUSVSA-N 364.449 2.327 0 3 FEAF O=C(OCc1cn(Cc2ccccc2C(F)(F)F)nn1)N1CCOCC1 203463064 PHMSXUWISCUCSV-UHFFFAOYSA-N 370.331 2.314 0 3 FEAF O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1F 1344687 JFBWZKKFAPIBBS-UHFFFAOYSA-N 367.315 2.138 0 3 FEAF COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN(C)C 2501588 KKFKHLGQTBIDPE-UHFFFAOYSA-N 354.204 2.217 0 1 FEAF CCc1c(N2CC[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3637738 BCRVGEKAHQXODB-LLVKDONJSA-N 359.401 2.114 0 1 FEAF CN(C)CCCN1C(=O)C(=O)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccco1 100297982 ACDDETXCNPCMGK-CABCVRRESA-N 360.435 2.244 0 1 FEAF CN(C)C1(C)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27419634 JKXBDGHLIQEAHI-UHFFFAOYSA-N 359.401 2.314 0 1 FEAF CN(CCCCCC/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)O)CC(=O)O 26027279 DDVPHXDORQEQPV-CKXDQPNJSA-N 354.447 2.084 0 1 FEAF CCCOc1cccc(-c2nc(N)[nH]c(=O)c2I)c1 29485944 MGQWBXPLFVFZOW-UHFFFAOYSA-N 371.178 2.413 0 1 FEAF CC(C)NC(=O)c1nnc2n1CCN(Cc1ccc(Cl)c(F)c1)C2 74376021 LEARZKIWMKKVIC-UHFFFAOYSA-N 351.813 2.225 0 3 FEAF Nc1nccc(Nc2ccc3[nH]nc(I)c3c2)n1 45315378 PRGFYUBQSMZPNY-UHFFFAOYSA-N 352.139 2.283 0 1 FEAF CCOC(=O)N1[C@H]2CC[C@@H]1CC(N1CC(NC(=O)c3ccccc3)C1)C2 84617109 PONLHOVKRPUIGQ-JWTNVVGKSA-N 357.454 2.253 0 1 FEAF COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@H](N3CCCCCC3=O)CN1CC2 45347161 HNCSYKUUKHXRCJ-OKZBNKHCSA-N 373.497 2.105 0 1 FEAF NC(=O)C1=NO[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 40916768 QXRKNXUKJQKFLK-FQEVSTJZSA-N 364.449 2.312 0 1 FEAF CCOc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1C 587559910 OXZIMHZBMBXBDY-UHFFFAOYSA-N 355.350 2.437 0 1 FEAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]3C(=O)NC)nc2c1 587235627 PFCZAGGWYMTKHM-BDAKNGLRSA-N 366.215 2.352 0 1 FEAF COC(=O)[C@@H]1COC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587836656 XAQVITBTRRAQGE-OTDPEBBPSA-N 358.207 2.137 0 1 FEAF CCOC(=O)[C@]1(C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587797720 NCAJNGHPKZPELV-ANRSDYALSA-N 358.207 2.470 0 1 FEAF CN1[C@H]2C[C@H](O)[C@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588181 PJACZMRDANBQKS-OYHXYROOSA-N 367.401 2.320 0 1 FEAF CN1C=C[C@]2(C(C(N)=O)=C1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962695867 GEICXNKSVQRBLU-BFUOFWGJSA-N 359.470 2.213 0 1 FEAF CC1=C(C(=O)NCc2ccc3c(c2)OCO3)[C@@H](c2ccccc2)NC(=O)N1 1772657670 ZVEFPYGSXOJMGK-GOSISDBHSA-N 365.389 2.360 0 1 FEAF C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)[C@H](N)C(=O)N1CCC(F)CC1 14947735 IERQMRRRYQDXGN-XOBRGWDASA-N 371.456 2.444 0 1 FEAF CCN(CC)CCn1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21 169316522 BXPJNVKHDATSQN-UHFFFAOYSA-N 354.410 2.258 0 1 FEAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCO 4152140 JWTHEEVPUCNCNS-IEBWSBKVSA-N 354.406 2.286 0 1 FEAF CN1CCc2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C1=O 103234931 BZKSFSAWSGWLHN-NTEUORMPSA-N 369.471 2.388 0 1 FEAF C[C@@H]1CCCN(S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)C1 103712274 BPBNTXGTKXCWHZ-VXGBXAGGSA-N 366.508 2.491 0 3 FEAF C/C(=C\Cc1c(O)cc(O)c2c1OC[C@H](c1ccc(O)cc1O)C2=O)CO 59729230 VNIOZYSNZVSDPU-JFOHCBSWSA-N 372.373 2.349 0 1 FEAF O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)Nc1ccc(F)cc1F 21871298 VJLFIPXBNRTLKQ-UHFFFAOYSA-N 373.363 2.236 0 1 FEAF C[C@@H]1C(=CCO)C=C[C@@H]2[C@@H]1CC[C@@]1(O)[C@@](C)(C(=O)O)[C@@H](O)CC[C@]21C 2356722884 SIYWUVAANMMTCY-AZLAVDGISA-N 350.455 2.120 0 1 FEAF CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@H](CO)[C@H]2N(C(C)=O)c1ccccc13 2356733909 FOIHCGYTOYBKSL-WOSNLTMFSA-N 368.477 2.139 0 1 FEAF O=S(=O)(O)Oc1ccc2c(c1)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 14584301 OGNAERBXKNMZRC-ZBEGNZNMSA-N 364.331 2.207 0 1 FEAF biogenic C[C@H]1Cc2ccccc2N1C(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 36384110 FCWGUNZWNNQXGH-AYVKHACWSA-N 350.418 2.161 0 1 FEAF NC(=O)c1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586923015 VVWAALDHCVSZMZ-UHFFFAOYSA-N 369.446 2.167 0 1 FEAF CC(C)(C)OC(=O)N1CC[C@@]2(Cc3cc4c(O)nc(O)nc4nc3C2)C1 587558849 USJRNFWNUDCMAH-SFHVURJKSA-N 358.398 2.162 0 1 FEAF COc1cccc(C(=O)c2ccc(-c3nc4c(O)nc(N)nc4[nH]3)cc2)c1 587932337 SSKQYRYCECKODG-UHFFFAOYSA-N 361.361 2.547 0 1 FEAF NS(=O)(=O)c1ccc(CCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 586930451 UATUPZHMKPIRRK-UHFFFAOYSA-N 355.341 2.413 0 1 FEAF CNCCCN1CC(C(=O)N[C@H]2CC[C@@H](c3ccccc3)CC2)=C(O)C1=O 1772624748 MYYCRGVRJCYKGY-CALCHBBNSA-N 371.481 2.093 0 1 FEAF O=C(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc2ccccc2o1 169304721 XAKKVLBZUMGOOR-UHFFFAOYSA-N 352.346 2.193 0 3 FEAF CCc1cc(-c2cc([C@H]3CCNC3)n3ncnc(N)c23)cc(F)c1CO 206417415 SRPGSKYQLDMWAK-LBPRGKRZSA-N 355.417 2.249 0 1 FEAF CC(C)(O)Cn1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cn1 1857620258 PCCQZRXZEOVGFU-UHFFFAOYSA-N 357.414 2.150 0 1 FEAF O=C(Cc1ccccc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12 603090 DULLSEQKLNMVJV-UHFFFAOYSA-N 370.434 2.284 0 1 FEAF NCCc1c([C@H](c2c[nH]c3ccccc23)[C@H](O)CO)[nH]c2ccc(O)cc12 103241729 ZTYZUZUNCFQNPS-WOJBJXKFSA-N 365.433 2.341 0 1 FEAF COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(O)ccc5c4CCN3C[C@H]2CC[C@H]1O 2356412276 MIUYYRGOYGWVDO-URBFBWIISA-N 370.449 2.353 0 1 FEAF COCCNC(=O)[C@]1(C)Cc2c(-c3ccc(N(C)C)cc3)ccnc2O1 61926400 AQDXJZVHCQMATO-FQEVSTJZSA-N 355.438 2.271 0 3 FEAF CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@@H]2CC[C@@H]1C2 102828948 SGJNLUHSLLRODE-YRGRVCCFSA-N 366.487 2.469 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC(CO)=CC[C@H](O)C(C)=C[C@@H]2OC(=O)[C@H](C)[C@@H]21 2356634971 QQVBXEPCEBPLSG-XNJHUCFUSA-N 364.438 2.062 0 1 FEAF CC(=O)OCC1=C[C@H](O)C[C@]2(C)[C@@H]1CC[C@@H]1C[C@H]3C[C@@]12CC[C@]3(O)CO 2356739056 YCJCQOJMBQQSIB-OUZKAEIWSA-N 364.482 2.187 0 1 FEAF COc1cc(C=CC(=O)Nc2ccc(O)cc2C(=O)O)cc(OC)c1O 2356778998 IYRNSMDETLBKHB-UHFFFAOYSA-N 359.334 2.465 0 1 FEAF COc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1OC 71281219 WQZGKMQKSLFOOR-UHFFFAOYSA-N 353.835 2.216 0 1 FEAF CC[C@@H](c1ccccc1)c1[nH]nc2c1CN(C(=O)CN1CCOC1=O)CC2 71932835 MQGPUEGYBIJPQO-HNNXBMFYSA-N 368.437 2.289 0 1 FEAF O=C(NCCNS(=O)(=O)c1cccc2cnccc12)C1CCCCC1 75792136 ITAPYJMORAWSQN-UHFFFAOYSA-N 361.467 2.210 0 1 FEAF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C 136458003 YOQIGAVHLYFIAF-HVYUIJJMSA-N 364.438 2.243 0 1 FEAF COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2)cc(OC)c1OC 45385715 DLTBEDLDMWPZJA-UHFFFAOYSA-N 369.425 2.456 0 1 FEAF O=C(O)/C=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 49066984 QNBMEOCIOHQONT-CPFIRTDXSA-N 353.374 2.098 0 1 FEAF O=C(NC1CCCCC1)n1c(=O)n(CCN2CCOCC2)c2ccccc21 40952986 JHBQPAAZUBDTAT-UHFFFAOYSA-N 372.469 2.026 0 1 FEAF O=C(Cn1cccc(NC(=O)c2ccccc2)c1=O)NCc1ccccc1 42892137 UEAHSGMFXSWQQA-UHFFFAOYSA-N 361.401 2.417 0 1 FEAF COc1ccc([C@@H](NC(=O)c2cn3ccc(C)cc3n2)C2CC(O)C2)cn1 230480766 FBJDUKPKEFFLAU-JFIBYHEFSA-N 366.421 2.288 0 1 FEAF CCCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C(C)=O 95895732 OLEGCAPACSSNFZ-ACRUOGEOSA-N 353.466 2.423 0 1 FEAF CCC(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1 96924145 OOKBTCLNFICFMC-UHFFFAOYSA-N 359.499 2.471 0 1 FEAF Cc1c(OC(=O)N(C)C)c(=O)ccn1-c1ccc(OC(=O)N(C)C)cc1 653738897 MLSOAYLTPNJECC-UHFFFAOYSA-N 359.382 2.267 0 1 FEAF CCCCOC(=O)[C@@H](N)CCC(=O)NCCSC(=O)c1ccccc1 653707825 VHLLVESXZMIWEB-HNNXBMFYSA-N 366.483 2.127 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)N1CCN(C)CC1 587870266 ZTJATPDJFYVCQP-UHFFFAOYSA-N 369.347 2.188 0 1 FEAF CCN1C(=O)COc2ccc([C@H]3NCCc4c(C(=O)O)cccc43)cc21 963122424 NBGAOSBEXZDWML-LJQANCHMSA-N 352.390 2.365 0 1 FEAF CCC(CC)N1CCC(NC(=O)c2nc3c(C(N)=O)cccc3[nH]2)CC1 1772609621 WTOUWPBMYPELKU-UHFFFAOYSA-N 357.458 2.045 0 1 FEAF C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(O)cc3)c3c(N)ncnc32)C1 1772637432 VRKPYFGIHAMROD-CYBMUJFWSA-N 364.409 2.131 0 1 FEAF CC(=O)Oc1ccccc1C1=C(c2ccc(S(C)(=O)=O)cc2)COC1=O 13818516 IPTPHQMMQGXSIC-UHFFFAOYSA-N 372.398 2.483 0 1 FEAF CCOC(=O)N1C(=O)C[C@@H](C(=O)N2CCCC2)[C@H]1c1ccc(OC)cc1 206024445 WORSVDFYIKPLPB-NVXWUHKLSA-N 360.410 2.364 0 3 FEAF CC=C1CN2CC[C@]34C(=Nc5ccccc53)[C@](CO)(C(=O)OC)[C@H]1C[C@@H]24 2356545103 DSOCELULQRKOMA-APMMZXSISA-N 352.434 2.216 0 1 FEAF O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCc1ccccn1 20416488 BKXAKXSFZUTVMX-UHFFFAOYSA-N 361.405 2.369 0 1 FEAF O=C1C=CC[C@H](C=CC[C@H](O)C[C@H](O)C[C@H](O)C=Cc2ccccc2)O1 2356733940 HDJDRGQCGAWPGK-YRPNKDGESA-N 358.434 2.381 0 1 FEAF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)CC[C@](C)(O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 33918273 ATUPZONNYSDDBY-PKHUWIRSSA-N 364.438 2.204 0 1 FEAF biogenic C[C@H]1CN(C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@]4(C)[C@H](O)[C@@H]32)C[C@@H](C)O1 504748178 AGRFRTKLCPEWTJ-FUJBQEPDSA-N 363.498 2.381 0 1 FEAF biogenic COc1cccc2c1N(C=O)[C@@H]1CC[C@]34CCCN5CC[C@@]21[C@@]53OC(=O)C4 13434164 OHVLQOJUEDASJF-UMSONDCASA-N 368.433 2.201 0 1 FEAF biogenic NC(=O)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F 40847680 QDAOJABJYUDRSK-SNVBAGLBSA-N 352.110 2.189 0 1 FEAF CC1CCC(NS(=O)(=O)Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC1 586953278 QXUVXYABWCEERS-MLHMAEKDSA-N 365.459 2.285 0 1 FEAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cncc(OC)c3[nH]2)cc1 587228994 XBOFGACTIPLGHI-UHFFFAOYSA-N 369.381 2.465 0 1 FEAF CCN(CC)c1ccc(-c2nn(C(=O)CO)c(=O)c3ccccc23)c(O)c1 587666223 BURZAAKRRNQPLL-UHFFFAOYSA-N 367.405 2.248 0 1 FEAF COc1cc2c3c(c1)O[C@]1(CS(=O)(=O)Oc4ccccc41)[C@@H](C2)C3=O 587449050 AHBRBJYLGNALCW-UGSOOPFHSA-N 358.371 2.060 0 1 FEAF CC(C)(C)OC(=O)NC1(c2nc3cccc(C(N)=O)c3[nH]2)CCC(O)CC1 587237509 RPTSKDKFSJFRDQ-UHFFFAOYSA-N 374.441 2.317 0 1 FEAF N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccccn1 143363868 HGXNOYBAMIJINM-INIZCTEOSA-N 356.426 2.444 0 1 FEAF CCc1ccc(NC(=O)CN2C(=O)CCS(=O)(=O)c3ccccc32)cc1 5145948 QXBVWYWUAZCVKE-UHFFFAOYSA-N 372.446 2.398 0 3 FEAF COC(=O)[C@@]12C[C@H]3C[C@H](CCO)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 5997334 FRCVRUHRFLXLAI-PZXGUROGSA-N 354.450 2.228 0 1 FEAF C[S@@](=O)c1ccc(-c2cnc3ccc(=Nc4cnccn4)[nH]n23)cc1 1857605231 YFZUPNXXGBVULC-RUZDIDTESA-N 350.407 2.089 0 1 FEAF O=C1N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N2CCC[C@@H]12 1857615343 CWHDSDUTKGKQSY-OALUTQOASA-N 350.418 2.298 0 1 FEAF N[C@H](C[C@H](C(=O)O)c1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)O 103209953 ZLDCQNMWIIWNCT-LSDHHAIUSA-N 357.366 2.301 0 1 FEAF Cc1nn(CC(=O)NCCC(C)C)c(=O)c2nn(-c3ccccc3)c(C)c12 20563046 IUBCIBWJMCDQST-UHFFFAOYSA-N 367.453 2.361 0 1 FEAF CNC[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)C1 103282384 DZBWAQRFBKKIDF-ZDUSSCGKSA-N 355.438 2.470 0 1 FEAF N=C(N)c1ccc(N2CCCCN(c3cccc(C(=N)N)c3)C2=O)cc1 26651371 XPIYAMCDVRTICO-UHFFFAOYSA-N 350.426 2.482 0 1 FEAF Cn1ncnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccccc1 117866748 RJXIQUMBMLJTTJ-JKSUJKDBSA-N 362.368 2.489 0 1 FEAF COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@@]43O 2356414448 KNYQYTPZSISGOC-FYIGHOIKSA-N 354.450 2.250 0 1 FEAF CC1(n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc32)CCC1 27620409 MTLOXJYWJGDTAO-UHFFFAOYSA-N 359.401 2.148 0 1 FEAF Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CF)OC4=O)cc3F)cn2)n1 71318564 QGRQECWXYVPBQR-LBPRGKRZSA-N 372.335 2.373 0 1 FEAF COc1cc([C@H]2Oc3ccc4ccc(=O)oc4c3O[C@H]2CO)ccc1O 13400350 SPQBUENVXULSQS-DOTOQJQBSA-N 356.330 2.381 0 1 FEAF biogenic COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 82088147 FMBNGRKKRDBSCT-LBPRGKRZSA-N 358.350 2.096 0 1 FEAF CCCCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@@H]13)O2 195468008 AVMYCGJNQUPEPM-LXGFNABISA-N 354.450 2.193 0 1 FEAF COc1cc2c3c(c1)O[C@H](CN1C(=O)COc4ccccc41)[C@@H](C2)C3=O 587437260 YWAJNYRMEKOABF-CXAGYDPISA-N 351.358 2.237 0 1 FEAF COC(=O)COc1c(OC)cccc1[C@H]1NCCc2c(C(=O)O)cccc21 963119249 DDFDQUMXHFCVDE-SFHVURJKSA-N 371.389 2.180 0 1 FEAF CC(=O)OCCC(=O)[C@@H]1[C@H]2CC[C@H](COC(C)=O)C[C@@H]2C=C[C@@]1(C)O 1772639438 FYDYUINNZWREDS-BGJMDTOESA-N 352.427 2.041 0 1 FEAF O=C(CCCN1CCOCC1)Nc1n[nH]c2nnc(-c3ccccc3)cc12 13489659 WZEMTZHNQZDUFC-UHFFFAOYSA-N 366.425 2.071 0 1 FEAF Cc1c(C(=O)c2ccccc2)c(=O)n(C)n1C[C@H](O)CN(C(C)C)C(C)C 13555940 UYZSJNDVHQWHHN-GOSISDBHSA-N 373.497 2.206 0 1 FEAF CS(=O)(=O)Nc1ccccc1-c1cc2ccccc2n1S(C)(=O)=O 169320878 UBSJDKXYXQRYGW-UHFFFAOYSA-N 364.448 2.488 0 1 FEAF COC(=CC(=O)O)[C@H]1c2cc3cccc(O)c3c(O)c2C(=O)C[C@]1(C)O 2356465340 OBCPKCVHPDMGIX-MJGOQNOKSA-N 358.346 2.287 0 1 FEAF COc1cccc(-c2ccccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1 60329487 YYVZNVJHYCNNAS-OAHLLOKOSA-N 361.405 2.465 0 1 FEAF O=C(O)/C=C/c1ccc2c(c1)S(=O)(=O)N(C1CCCC1)[C@H]2CC(=O)O 36382961 WLHJFXAYXZEJRF-OWNNVSBGSA-N 365.407 2.247 0 1 FEAF CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@@H]1CC(=O)N(C)CCO 25429486 HJRFKBONYRDAKB-JKSUJKDBSA-N 364.486 2.090 0 1 FEAF biogenic CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1nc2ccccc2s1 473084242 RDNVIEBJBWYJCN-AWEZNQCLSA-N 372.450 2.491 0 1 FEAF CCCCS(=O)(=O)N[C@H](c1nc2cccc(C(N)=O)c2[nH]1)C(C)C 586932679 IQDBLDVRXVULON-ZDUSSCGKSA-N 352.460 2.078 0 1 FEAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CC(=O)OC)C(=O)OC)CC2=O 587479150 KLNLVBXWUFWGEJ-ORAYPTAESA-N 364.394 2.421 0 1 FEAF COC(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1OC 587129380 XOEDANCNDUUALM-UHFFFAOYSA-N 374.307 2.400 0 1 FEAF CN(C)S(=O)(=O)c1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1 586911623 JQHCHRXXAIXWBP-UHFFFAOYSA-N 371.418 2.452 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CNCn3ccc(N)c32)N1 587765319 CBMOCWMBTLSUMN-XXFAHNHDSA-N 365.250 2.310 0 1 FEAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC(N)=O)cc1)[C@@H](C2)C3=O 587427639 FBOWIEPSVYVFNM-MGPUTAFESA-N 353.374 2.222 0 1 FEAF Cc1c(O)ccc2c1[C@]1(CCOCC[C@@H]1C(F)(F)F)N[C@H](C(=O)O)C2 963548404 FPYVRBMSKDPMRM-DETPVDSQSA-N 359.344 2.484 0 1 FEAF Cc1cc(-c2cc([C@H]3CCCNC3)n3ncnc(N)c23)cc(F)c1CO 206419759 YXBKQVQHUYJBEU-LBPRGKRZSA-N 355.417 2.385 0 1 FEAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CN1CCCC[C@@H]1C 2097001 ZPLMXWQEGZCBRV-IFXJQAMLSA-N 369.465 2.469 0 1 FEAF biogenic CCOC(=O)[C@H]1CCCN(C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)C1 3906709 NJZXDVHCPLGECK-LBPRGKRZSA-N 358.394 2.210 0 3 FEAF N=c1c2ncnc(Nc3ccc(F)cc3)c2ncn1NC(=O)c1ccco1 102092084 NCGHKJZHYSNVRK-UHFFFAOYSA-N 365.328 2.165 0 1 FEAF CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(CCCN)c3ccccc13)C2 101316647 GSAVAAKDTVSQKT-HOTGVXAUSA-N 355.486 2.130 0 1 FEAF Cn1c(CO[C@H]2CN(C(=O)C3CCOCC3)C[C@@H]2F)nc2ccccc21 2356322602 RSFRLQRFLVYNRZ-YOEHRIQHSA-N 361.417 2.065 0 1 FEAF C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@H]1SC[C@](C)(C(=O)O)N1C 66111732 NOEXPDVJQLSPPC-ZXAISWHRSA-N 352.481 2.491 0 1 FEAF CCOC(=O)c1ccc(OCC)c(-c2ncc(C(=O)OCC)c(=O)[nH]2)c1 39243765 PCYYUCFZMOLLEK-UHFFFAOYSA-N 360.366 2.189 0 1 FEAF CN1CCC(N(Cc2ccncc2)C(=O)COC[C@H]2CCCCO2)CC1 77457113 BMIZJAFNCPJXEH-LJQANCHMSA-N 361.486 2.090 0 1 FEAF CCCCCCNC(=O)[C@@H](N)CCC[C@@H](N)C(=O)NCCCCCC 45187270 JSMOJFLNBGJRIR-CALCHBBNSA-N 356.555 2.204 0 1 FEAF COc1ccc(CNC(=O)c2c(C)n(O)c3ccc(F)cc3[n+]2=O)cc1 49112552 HZBKOHCLHHUHRR-UHFFFAOYSA-O 358.349 2.179 0 1 FEAF CCC[C@H](C)NC(=O)[C@@H](N)Cc1cccc(I)c1 84373611 NKYDVLOPBZLPSF-GWCFXTLKSA-N 360.239 2.466 0 1 FEAF CCCCNC(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc(F)cc1 82139375 GIBKJUXHMOPUTH-UHFFFAOYSA-N 373.432 2.361 0 1 FEAF COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 82088146 FMBNGRKKRDBSCT-GFCCVEGCSA-N 358.350 2.096 0 1 FEAF CCOCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)nn(C)c21 95597546 CFPCMFLPKKZGMJ-UHFFFAOYSA-N 360.458 2.142 0 1 FEAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@H]1CN(C)C 95711573 VZKDZVNXGYLRRI-DOXZYTNZSA-N 373.497 2.431 0 1 FEAF CC[C@H]1[C@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@@]45C[C@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O 255267823 SRISWFJLVRCABV-YIHNTGAVSA-N 368.477 2.125 0 1 FEAF CC1=NC(=S)N[C@@H](c2ccc(OCC(N)=O)cc2)/C1=C(/O)OC(C)C 617978019 REIVIPNGRKUJFT-RIBQPWQFSA-N 363.439 2.135 0 1 FEAF CCOC(=O)[C@H]1[C@H]([C@@H](O)c2ccc(OC)cc2)[C@@]12C(=O)Nc1ccccc12 473154208 FHGVKQIRFUKYDT-DCXXXQMHSA-N 367.401 2.428 0 1 FEAF O=C1C=C(C(F)(F)F)N[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)N1 587502866 BSACVHUQVPLGEA-DYVFJYSZSA-N 366.339 2.391 0 1 FEAF COC(=O)c1cc(Br)c2[nH]c([C@H](O)C(C)(C)CO)nc2c1 586904908 WQBISTNRIYHHOU-NSHDSACASA-N 357.204 2.164 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(F)cc(F)c3O)[nH]c12 587134314 MLHQOIFIRSUTOI-UHFFFAOYSA-N 353.350 2.464 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c12 587137324 ZPPWZAPUURTSNU-UHFFFAOYSA-N 370.356 2.480 0 1 FEAF CCOC(=O)[C@]1(C(F)(F)F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963232498 OAUIGVDEVSOLJA-CZUORRHYSA-N 368.311 2.154 0 1 FEAF CC(C)CCNC(=O)Cn1cc(Br)c2ncccc2c1=O 169309822 JLISQSJZEJOQPX-UHFFFAOYSA-N 352.232 2.321 0 1 FEAF NC(=O)CSC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N12 4176366 HDRBWCRNQYRTJM-OAHLLOKOSA-N 350.403 2.236 0 3 FEAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cccc(C#N)c2)c1 114079622 JKQQCHADIMQVBM-UHFFFAOYSA-N 360.421 2.327 0 1 FEAF O=C(C=CC(=O)Oc1ccccc1C(=O)O)Oc1ccccc1C(=O)O 2356817529 DMCJLRGWPYVYCQ-UHFFFAOYSA-N 356.286 2.150 0 1 FEAF CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1CC(=O)NCc1ccccc1OC 2356840505 MRUVCVHLSPQDSV-CABCVRRESA-N 368.499 2.009 0 1 FEAF O=C(O)/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 49072301 QNBMEOCIOHQONT-FLVLSHQESA-N 353.374 2.098 0 1 FEAF CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](C)[C@H](CN(C)C)O2 95662785 WBJUOJVUYWEJEO-DYVFJYSZSA-N 362.474 2.247 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1cnc(N4CCN(C)CC4)s1)[C@@H](C2)C3=O 587449587 BSGZIUZQACQPBB-UGSOOPFHSA-N 371.462 2.392 0 1 FEAF Nc1cc(C(=O)O)cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587251636 KKPKXQQQOPBXLG-UHFFFAOYSA-N 352.394 2.343 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CN2CCN(C)CC2)N1 587764286 DBWUZMVAFANAHS-BDJLRTHQSA-N 356.283 2.411 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@@H](C(=O)O)NC[C@H]31 586989653 NWYIBVCSGBJFEI-PVUDRZGPSA-N 372.380 2.464 0 1 FEAF CCOC(=O)[C@]1(c2cccnc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428713 QHPRZOYPUAMPPJ-BFUOFWGJSA-N 357.337 2.435 0 1 FEAF Ic1cnc2ccc(-c3nc4cncnc4[nH]3)cn12 587187314 DPKGLZDSWWENOO-UHFFFAOYSA-N 362.134 2.272 0 1 FEAF O[C@H](COc1ccccc1[C@@H](O)CCc1ccccc1)CN1CCOCC1 13529071 BGSJEIFMGVDHLM-FPOVZHCZSA-N 371.477 2.425 0 1 FEAF Cc1cc(-c2nnc(CCC(=O)N(CC3CC3)C[C@@H]3CCCO3)o2)no1 13595505 DYESDVUQNSYEDX-AWEZNQCLSA-N 360.414 2.383 0 3 FEAF COc1cc(OC)cc(-c2ccc(Nc3cc(=O)n(O)c(=O)n3C)cc2)c1 1857545339 URFLBHBNGPKSSQ-UHFFFAOYSA-N 369.377 2.212 0 1 FEAF CC(=O)N[C@@H]1CC(=O)[C@]2(CC(=O)O[C@H]2C=C(C)CCC=C(C)C)C[C@@H]1O 2356426740 IFURIYNUZYASFB-NDUPCHFUSA-N 363.454 2.210 0 1 FEAF CC[C@@H]1[C@H](O)C[C@]2(O[C@@H]1C)O[C@H]([C@H](C)C=CC(=O)O)[C@H](C)[C@H](O)[C@@H]2C 2356328628 YCCKJDBCKPNDFZ-JYJOZXHLSA-N 356.459 2.187 0 1 FEAF CCN(C1CCCCC1)S(=O)(=O)CCNC(=O)c1ccc(OC)cc1 4940935 LFMABCVQKJMZIZ-UHFFFAOYSA-N 368.499 2.409 0 3 FEAF COc1ccc(CCC(=O)c2c(O)cc(OCCCN)cc2O)cc1O 6018524 WMHBDXACPVNGCF-UHFFFAOYSA-N 361.394 2.355 0 1 FEAF COc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2c1c(=O)n(C)c(=O)n2C 100703227 QATBYUPHYWTESE-OAHLLOKOSA-N 367.405 2.307 0 1 FEAF COc1cc(C2=NN(C(N)=O)[C@@H](c3ccccc3)C2)ccc1OCC(=O)O 28713531 OAQGMBAHCDAMLR-OAHLLOKOSA-N 369.377 2.388 0 1 FEAF CC(C)C[C@H](N)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 61898148 DNOYHTNTWQRREW-ZDUSSCGKSA-N 363.487 2.440 0 3 FEAF CN1C(=O)[C@@H]2C[C@]3(C)c4ccccc4N[C@H]3N2C(=O)[C@@H]1Cc1ccccc1 2356517985 AORAAVFCUMFJME-YHDSQAASSA-N 361.445 2.380 0 1 FEAF COc1ccc(OC)c(CNc2nc3nc4c(c(O)n3n2)CCCC4)c1 35562375 LXUQWMKOGUVIFA-UHFFFAOYSA-N 355.398 2.338 0 1 FEAF CCCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O 45349500 FPHCHSKRTSLIEQ-UHFFFAOYSA-N 368.393 2.132 0 1 FEAF CC(C)N1C[C@@H]2CN(C(=O)NCc3ccccc3)CCC[C@]2(C(=O)O)C1 96185164 IBGMHRYQBJQFKW-PXNSSMCTSA-N 359.470 2.403 0 1 FEAF COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)ccc1O 238778030 TYXKOPPRKGSRCN-BTINSWFASA-N 370.357 2.098 0 1 FEAF Nc1cccc2c1C[C@@H](N1CCC(C(=O)c3cccnc3)CC1)[C@H](O)C2 96273563 DLTBIZOFLFQWQP-WOJBJXKFSA-N 351.450 2.087 0 1 FEAF C=CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(Br)cc2)C1 618017374 JUCOCPVXKXRGPL-JTQLQIEISA-N 359.245 2.183 0 1 FEAF CS(=O)(=O)N1C[C@@]2(CCN(Cc3ccccn3)C2)Cc2ccccc21 299851813 KDCAMRDOJUFZDQ-IBGZPJMESA-N 357.479 2.296 0 1 FEAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 586937593 GPGMFZMWYBFTEG-MRVPVSSYSA-N 373.360 2.355 0 1 FEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Cl)nc2[nH]1 586960472 XVUZKPZHIQUBBF-AWEZNQCLSA-N 352.803 2.080 0 1 FEAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2ccccn2)(C2CCOCC2)N1 962907993 TTWQGAJRMONCEO-PXNSSMCTSA-N 356.397 2.490 0 1 FEAF Cc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3ccccc3)C2)n[nH]1 11819932 UBKBERANUZPFJV-KRWDZBQOSA-N 354.454 2.158 0 3 FEAF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)cc1)C(F)(F)F 1535216 GNVWYNKNTYVESS-CQSZACIVSA-N 374.340 2.166 0 1 FEAF Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1C(=O)c1ccc(Cl)cc1 25962960 VPEXBAVKVHINPE-UHFFFAOYSA-N 355.781 2.422 0 1 FEAF Cc1ccc2nc(CO[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]3F)[nH]c2c1 2356300410 WDHKGJIJAZNORV-YOEHRIQHSA-N 361.417 2.363 0 1 FEAF COc1ccc2c(c1)C(=O)C[C@@H](CCN1CCC3(CC1)NC(=O)N=C3O)C2 28469427 PWWDJTRMFFMPHB-ZDUSSCGKSA-N 371.437 2.345 0 1 FEAF COc1ccc(CN(C)C[C@@H](O)COc2ccc3[nH]c(=O)ccc3c2)cc1 27189879 WTLDHJFCQXSKMS-QGZVFWFLSA-N 368.433 2.408 0 1 FEAF CN(CC1CC1)[C@@H]1Cc2ccc(O)c3c2[C@]24CCO[C@]12CCC(=O)[C@@H]4O3 45389838 AFQDTMLOPHOESA-MBPVOVBZSA-N 355.434 2.180 0 1 FEAF in-vivo CCCc1cnc(SCC(=O)c2cccc(S(N)(=O)=O)c2)nc1 96940228 CEWOTMGGXJSWSS-UHFFFAOYSA-N 351.453 2.052 0 1 FEAF Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 146987850 KMEFEDMLPJOXGG-SFHVURJKSA-N 363.421 2.489 0 1 FEAF Cc1nccc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c12 586945991 FHTVSBZQWPRCCW-AWEZNQCLSA-N 372.450 2.391 0 1 FEAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@H](CC(=O)O)O3)cc1 1486178 SEQAMEBLAGCPKC-OAHLLOKOSA-N 353.378 2.391 0 1 FEAF C[C@@H](OC(=O)CNC(=O)c1cccc(F)c1)C(=O)N[C@H]1CCCC[C@H]1C 7564181 PDFSMQHQCAYHGT-IOASZLSFSA-N 364.417 2.182 0 1 FEAF CC[C@@H]1OC(C)(C)O[C@H]([C@H](C)C(=O)SCCNC(C)=O)[C@]1(C)OC 2356747125 RTJAGGPOVJJDBN-HVOFVXBASA-N 361.504 2.354 0 1 FEAF CC(C)S(=O)(=O)NCCCCCCCCCNS(=O)(=O)C(C)C 38445416 WZWBJASDNWALKV-UHFFFAOYSA-N 370.581 2.373 0 1 FEAF CCCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O 1911575369 UXFKGTAATGRBOW-UHFFFAOYSA-N 369.513 2.487 0 1 FEAF Cc1ccc([C@@H](C)NC(=O)c2nc(-c3cnccn3)nc(O)c2O)cc1 84708333 WKIBWZYXHKGROE-LLVKDONJSA-N 351.366 2.144 0 1 FEAF O=S(=O)(O)c1nc(Cc2ccc(O)cc2)cnc1Cc1ccc(O)cc1 238772294 UBTXWOUEYHYBJH-UHFFFAOYSA-N 372.402 2.316 0 1 FEAF CCc1nc(C[C@@H]2CN(c3ncnc4nc(C)cc(C)c34)CCO2)no1 95371854 HFNDOZCKIMWIHC-CYBMUJFWSA-N 354.414 2.035 0 1 FEAF O=C1C[C@@]23CCN(CC4CC4)[C@H]4C[C@@H](O)[C@H]1C[C@]42Cc1ccc(O)cc13 254132270 LOXFETCCXNYJIL-AFSNDHJISA-N 353.462 2.401 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CS(C)(=O)=O)N1 587850485 QKWQLDFAHRHNPT-ISVAXAHUSA-N 350.253 2.382 0 1 FEAF COc1cc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)ccc1C(=O)O 962936697 PSASLNMYBKFBQW-SFHVURJKSA-N 354.406 2.330 0 1 FEAF O=C(O)c1cccc2c1CCN[C@@]21CCC[C@H](c2cnc(O)nc2O)C1 963128551 BOUBHMQGFCDDII-JEOXALJRSA-N 355.394 2.285 0 1 FEAF O=S(=O)(c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3O2)cc1)N1CCCC1 169730043 QIZIREOPFQLFIO-OKILXGFUSA-N 374.418 2.355 0 1 FEAF Oc1cc(-n2cccn2)ccc1-c1ccc(O[C@@H]2CCNCC2(F)F)nn1 1857766168 FJJWYYDKYYXUFG-MRXNPFEDSA-N 373.363 2.411 0 1 FEAF O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@H]2[C@H]2[C@@H](C1)C2(Cl)Cl 1620784 GSRVKLGURKHDPG-FVCCEPFGSA-N 350.205 2.276 0 1 FEAF Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 102245187 ROIWDFYDDLDZKE-JOCBIADPSA-N 372.465 2.209 0 1 FEAF CC[C@@H](C)NC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 20562967 SSIOQCHUCVASJH-GFCCVEGCSA-N 353.426 2.114 0 1 FEAF CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)c1ccccc12 35900583 RCMWUIMATFNCDT-UHFFFAOYSA-N 370.497 2.259 0 1 FEAF CCOC(=O)c1cnn(C[C@@H](O)CC)c1NC(=O)NCc1ccccc1 40896923 DDJIEBZFVCZGAF-AWEZNQCLSA-N 360.414 2.152 0 1 FEAF COC(=O)c1cn(C[C@H](Cc2ccccc2)NC(=O)c2ccccc2)nn1 95798315 BPOTXUWVHOHQDU-KRWDZBQOSA-N 364.405 2.106 0 1 FEAF O=C(O)[C@@H](c1cccc2c1OCC2)N1CCC(N2CCSCC2)CC1 95523300 KDVGLFFYPOJSJF-QGZVFWFLSA-N 362.495 2.260 0 1 FEAF CCNC(=O)N[C@H]1CC[C@@H](Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1 473123328 VGQNDBIBHCCFKP-GASCZTMLSA-N 372.473 2.415 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(N)cc(O)n1 587867770 AGGPOXJSBCGRQO-UHFFFAOYSA-N 352.276 2.040 0 1 FEAF CC(=O)Nc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1O 962905164 OTORTQNACGICTN-HNAYVOBHSA-N 358.369 2.352 0 1 FEAF CCCSc1nc(NCc2ccc(O)cc2)c2nnn(CCO)c2n1 1772610944 QZELKOTYVITPDP-UHFFFAOYSA-N 360.443 2.033 0 1 FEAF O=C(NC1CCCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 13131905 KZZFMLSTOOYMMN-CQSZACIVSA-N 368.503 2.040 0 3 FEAF Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 13472372 UYEQIRAILMVJGC-UHFFFAOYSA-N 373.376 2.452 0 1 FEAF CC(=O)NCc1c[nH]c(/C(C)=C2\C(=O)Nc3ccc(NC(N)=O)cc32)c1 14962732 LOQFJHOTUSHCJC-SXGWCWSVSA-N 353.382 2.024 0 1 FEAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4546284 RHXDAXASSALVLF-SCIGZZIRSA-N 368.518 2.262 0 1 FEAF C=C1C(=O)O[C@H]2CC(CO)=CCCC(COC(=O)[C@H](C)[C@@H](C)O)=CC[C@H]12 253638298 JTFXNPPZNWSQAJ-FOZNTRSISA-N 364.438 2.063 0 1 FEAF COc1ccc([C@H](O)[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O 52651321 GNUFQAYMLAQRQN-DLBZAZTESA-N 350.367 2.194 0 1 FEAF CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1[C@H]1C[C@@H]2CC[C@@H]1C2 101596118 UTCQOVZSZNFTKB-JMSVASOKSA-N 373.482 2.365 0 1 FEAF C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@H]2CC[C@H](O)[C@H]3[C@@]1(C)CC[C@@H]1CCOC1 103288138 GOMXXHNZEQAZQB-UKGJQZDNSA-N 352.471 2.140 0 1 FEAF CN1C[C@H](CCN2CCC2)Oc2ncc(Br)cc2C1=S 26280083 OUUWKFPTRJZFML-NSHDSACASA-N 356.289 2.308 0 1 FEAF O=C(NC[C@@]1(COc2ccccc2)C[C@H](O)[C@H](O)C1)c1ccc(F)cc1 2356712331 ZCTATNODONIRGZ-RUYXUALKSA-N 359.397 2.137 0 1 FEAF CC(C)NC[C@@H](O)COc1ccc(OCCn2nnc3ccccc32)cc1 27560920 XWLHWLMPBOBXFL-MRXNPFEDSA-N 370.453 2.248 0 1 FEAF CC(C)(O)[C@@H](O)Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O 15115066 MCDSHLATEYMKDN-ROUUACIJSA-N 358.390 2.479 0 1 FEAF biogenic COc1ccc(-c2cc(Cl)cc(C(=O)Nc3nnn[nH]3)n2)cc1OC 84462217 PJDVEECUXZZLFN-UHFFFAOYSA-N 360.761 2.185 0 1 FEAF CCc1nc(C(=O)N[C@@H](C(=O)OC[C@@H]2CCCN2C)C(C)C)cs1 82070364 CVFZNWFOSZDUNX-SWLSCSKDSA-N 353.488 2.097 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nccn1C 587868716 PXZMNXMUQOLZNW-UHFFFAOYSA-N 351.288 2.395 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)nc2O)N1 587776877 YUOXBFXKKOPKFY-PWCHPLFNSA-N 354.179 2.413 0 1 FEAF CCOC(=O)C(=O)C[C@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2cccc(F)c21 962905302 ZRAACGVOPLEODR-DJJJIMSYSA-N 365.401 2.188 0 1 FEAF O=C(NCc1ccccc1F)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O 205693888 HNABGDBYDRJYOK-UHFFFAOYSA-N 357.316 2.351 0 1 FEAF CCN1CCCC[C@H](NC(=O)c2cc3nnn(CC4CC4)c3cc2OC)C1 29571114 QNKGUVCXRYNSKQ-HNNXBMFYSA-N 371.485 2.454 0 1 FEAF COCCNC(=O)[C@@]1(C)Cc2c(-c3ccc(NC(C)=O)cc3)ccnc2O1 61908188 LBUIHATYFNYGTP-HXUWFJFHSA-N 369.421 2.163 0 3 FEAF CCOc1ccc(-n2nc3c(N4CC[C@@H](O)C4)nnc(C)c3c2C)cc1 72112720 SHGJYZSMCVDVNW-OAHLLOKOSA-N 353.426 2.402 0 1 FEAF COc1ccc(CNc2nc(N(C)CCN(C)C)ncc2C)cc1OC 82202799 QJOQQRZYFXZUBS-UHFFFAOYSA-N 359.474 2.412 0 1 FEAF O=C1OCC2=C1[C@H](c1ccccc1)c1cc3c(cc1N2CCO)OCO3 198345054 MGBUUFXJDUAAKU-GOSISDBHSA-N 351.358 2.170 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NC(C)C)[C@H]2CNC(C)=O)cc1 95667354 MMKHNTDAMPSYBJ-VLPTVUGRSA-N 359.470 2.103 0 1 FEAF CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)C)[C@H](C)CN(C)C2=O 95661711 MYMBASSDCIJSQK-CZUORRHYSA-N 362.474 2.247 0 1 FEAF CC(C)C[C@H]1COc2cc(N3CCSCC3)ccc2S(=O)(=O)N1 96020557 NNMHWDZHNHMMJC-ZDUSSCGKSA-N 356.513 2.325 0 3 FEAF CC(C)NC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 250762941 QSHCQTGDQZFNSO-JEWRLFTDSA-N 360.841 2.147 0 1 FEAF COc1ccc(C2(NC(=O)[C@@H]3NC(=O)[C@H]4CCCC[C@@H]4N3)CCCC2)cc1 618014523 WAGLEKRWDMAQNK-BZSNNMDCSA-N 371.481 2.185 0 1 FEAF Cc1cc(=O)oc2cc(OCc3ccc4c(O)nc(O)nc4n3)ccc12 587563309 RBXCCOIRQMLCAM-UHFFFAOYSA-N 351.318 2.430 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN[C@H](C(=O)O)[C@@H]31 586989325 FBNDXELCTUZXGH-DLMFHSAESA-N 372.380 2.464 0 1 FEAF CCOC(=O)C[C@]1(C[C@H]2CCCO2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963021530 GICHEFVEILZHIP-PZPWOCDFSA-N 372.465 2.458 0 1 FEAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4nccn4C)c(=O)n1c23 1857576581 GWUPXIMMPAEHER-SNVBAGLBSA-N 370.384 2.017 0 1 FEAF C[C@H](O)CS[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O 27307958 JSZMATWNNJCEPE-BQJZTWFXSA-N 372.527 2.279 0 1 FEAF CN(C)CCNCC(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 40566823 YFCLATBWRLIVEE-UHFFFAOYSA-N 371.325 2.492 0 1 FEAF Cc1cnc(-c2cc(N3CCN(C(=O)CO)CC3)ncc2Cl)c(C)c1 142173591 NIBLFBXRKWOPFL-UHFFFAOYSA-N 360.845 2.055 0 1 FEAF COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)Nc1ccccn1 299824585 WCVCWAQJIQBEBG-UHFFFAOYSA-N 367.365 2.327 0 1 FEAF COC(=O)[C@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587803376 ACFGRSZEQSAFKM-ANRSDYALSA-N 358.207 2.470 0 1 FEAF O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(Cc1ccccc1)C2 13491477 DNUOCYUTEIKZFI-UHFFFAOYSA-N 360.391 2.028 0 1 FEAF O=C(c1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1 13648171 QDDSMIFFGWGLKA-SFHVURJKSA-N 369.465 2.150 0 1 FEAF NC(=O)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1 13656489 CIXKMTAKFNTCKL-DOMZBBRYSA-N 370.243 2.437 0 3 FEAF O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccno1 167424945 SYOHPHDQYLZMOW-UHFFFAOYSA-N 350.378 2.480 0 1 FEAF CO[C@@H](Cc1ccc(O)cc1O)/C(=C\Cc1ccc(O)cc1O)C(=O)O 205031154 VMKRQTKNZYSPSG-APSGNOSNSA-N 360.362 2.320 0 1 FEAF O=C(Nc1cnccn1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 101154539 YAUOGUWWEKYWDL-UHFFFAOYSA-N 359.345 2.134 0 1 FEAF O=C(O)c1ccc(CN2C[C@H](F)[C@@H](OCc3nc4cnccc4[nH]3)C2)cc1 2356484627 BKEPAJRRMBMRJN-YOEHRIQHSA-N 370.384 2.395 0 1 FEAF CC(=O)O[C@H]1C=CCC[C@H](O)[C@H](CCC[C@@H](C)OC(C)=O)OC(=O)[C@@H]1C 2356496755 ZIOYEJIHNQOIKS-XZFSWKSHSA-N 370.442 2.299 0 1 FEAF O=C1C=CC[C@H](C=CC[C@H](O)C[C@@H](O)C[C@H](O)C=Cc2ccccc2)O1 2356733939 HDJDRGQCGAWPGK-NMLBUPMWSA-N 358.434 2.381 0 1 FEAF CN(C)C[C@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O 49111883 KEQORMMUOMSYLY-MRXNPFEDSA-N 361.467 2.202 0 1 FEAF Cc1ccc2c(c1)c([C@H]1NS(=O)(=O)c3ccccc31)cn2CC(=O)O 49036789 QGPLSQCYVOVCMJ-SFHVURJKSA-N 356.403 2.416 0 1 FEAF CC(=O)N1CCN(c2ccc(N3CCN(C(C)=O)[C@H](C)C3)c(C)c2)[C@@H](C)C1 199271753 MENJIUZSUPCMSV-SJORKVTESA-N 372.513 2.109 0 3 FEAF O=C1[C@@H]2[C@H](C(=O)N1CCC(=O)n1cnc3ccccc31)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 195122619 NLRDWJJCYOHFLS-AXJMDLJXSA-N 361.401 2.120 0 1 FEAF CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 95903334 DGIMEPVAUFODOA-JFIYKMOQSA-N 364.490 2.007 0 1 FEAF N=C(N)Nc1ccc(C(=O)c2ccc(NC(=O)CCCCN)cc2)cc1 95595128 XNGGKOHMBHWWBE-UHFFFAOYSA-N 353.426 2.290 0 1 FEAF Cc1ncsc1C(=O)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 299851478 ASLJVPDZFXFROB-LJQANCHMSA-N 357.479 2.087 0 1 FEAF CO[C@H]1CCN(Cc2c(C)noc2C)[C@H]2CN(Cc3ccncc3)C[C@@H]12 299843167 NPWDHICXGNLPMA-AABGKKOBSA-N 356.470 2.408 0 1 FEAF CNc1ccc(-c2noc([C@@H]3CCCN3C3CCN(C(C)=O)CC3)n2)cn1 35426085 HRXODFKJDNTKBI-INIZCTEOSA-N 370.457 2.321 0 1 FEAF biogenic COc1cc2c3c(c1)O[C@](C)(c1ccccc1[C@@H](O)C(=O)O)[C@@H](C2)C3=O 587455252 KZLHXMGEFAQHLK-JNAXZKDPSA-N 354.358 2.476 0 1 FEAF Oc1ncnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 587003408 UUOQCHFYRNCZAI-UHFFFAOYSA-N 359.187 2.413 0 1 FEAF O=S(=O)(/C=C/c1nc2c(S)nc(S)nc2[nH]1)c1ccccc1 586924036 FMMUNYFTKNNZNK-VOTSOKGWSA-N 350.450 2.375 0 1 FEAF CCOC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1N1CCCC1 587650703 BSEIHRJFEVFNAA-UHFFFAOYSA-N 350.440 2.277 0 1 FEAF CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](NS(=O)(=O)Cc2ccccc2)C1 1772580602 RFPGRROFENRNTD-GASCZTMLSA-N 371.466 2.045 0 1 FEAF COc1cccc(Nc2ncc3nc(C)c(=O)n(C[C@H]4CCCO4)c3n2)c1 4238800 QUHZORDJQYUJFQ-OAHLLOKOSA-N 367.409 2.426 0 1 FEAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccc(F)c2)n1 2356289143 QPJSGGISRHAMEB-MTQWCTHYSA-N 373.472 2.429 0 1 FEAF CN(C)CCN(C)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 28569095 NEKUYKVOKDNNFX-UHFFFAOYSA-N 364.449 2.148 0 1 FEAF CC=C1CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC 2356635271 UZSZSSQLCSRDPY-QKMNUUQDSA-N 356.466 2.386 0 1 FEAF O=C(NCC1CC1)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82139830 OLLIKBFPHUVGIG-UHFFFAOYSA-N 356.401 2.259 0 1 FEAF COc1cc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cn1 587202155 GDLONDOYVLZQGB-ZDUSSCGKSA-N 370.365 2.409 0 1 FEAF CS(=O)(=O)NCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586994223 QKYTXIICYBMBKP-UHFFFAOYSA-N 368.414 2.244 0 1 FEAF CS(=O)(=O)c1n[nH]c(-c2cccc3ncc(Br)cc23)n1 1857637737 QBAJFQVIWVWTTM-UHFFFAOYSA-N 353.201 2.186 0 1 FEAF CC[C@@H](C(=O)NCc1ccco1)n1nc(C)n2c(cc3occc32)c1=O 5149754 LEIKVCOYVGPYKR-ZDUSSCGKSA-N 354.366 2.411 0 3 FEAF O=C(NC[C@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166642120 CAAZCWZYLWBLGF-CQSZACIVSA-N 366.421 2.396 0 1 FEAF CCOC(=O)N[C@@H](n1cnc2c(N)nc(F)nc21)C(Cl)(Cl)Cl 1857575865 HSYZXYNDSYNIDR-ZETCQYMHSA-N 371.587 2.163 0 1 FEAF C/C=C(\C)C(=O)O[C@@H]1[C@@]2(C)[C@@H](CC[C@@H](O)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@]12O3 100774356 FYNKIYMILKEXOG-IDPYHLLISA-N 364.438 2.340 0 1 FEAF endogenous,in-man C[C@@H]1SC(c2ccccc2O)=N[C@H]1[C@@H]1SC[C@](C)(C(=O)O)N1C 66105197 NOEXPDVJQLSPPC-UODBANLJSA-N 352.481 2.491 0 1 FEAF O=C(CCc1nc(-c2ccc(O)cn2)no1)Nc1ccccc1C(=O)O 28863458 MUXOCPKISVWAGB-UHFFFAOYSA-N 354.322 2.107 0 1 FEAF CCCSC[C@@H](N)[C@H](O)C(=O)NCCc1ccc(Cl)cc1Cl 27995855 KGRBLSVVHPKWET-KGLIPLIRSA-N 365.326 2.484 0 1 FEAF COc1cc2c(cc1O)[C@@H]1O[C@H](O)c3c(ccc4c3OCO4)[C@H]1NCC2 2356727424 NFGXPXULMFBCLB-AOIWGVFYSA-N 357.362 2.079 0 1 FEAF O=S(=O)(O)Oc1ccc2c(c1)OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4 14584306 OGNAERBXKNMZRC-BDJLRTHQSA-N 364.331 2.207 0 1 FEAF biogenic O=C(CN1C(=O)NC(=O)[C@@H]2CCCC[C@@H]21)NCc1nc2ccccc2s1 214428779 CQDJQWWIEVIGDA-YPMHNXCESA-N 372.450 2.023 0 1 FEAF COc1cc2[nH]c(C(=O)O)cc(=O)c2c2c1S(=O)(=O)c1ccccc1-2 149037498 WPJXMIOVYVHFGL-UHFFFAOYSA-N 357.343 2.048 0 1 FEAF CC(C)[C@@H]1[C@@H]2C/C(=C\C[C@H](O)[C@H](C)C[C@@H]1OC(=O)[C@H](C)[C@@H](C)O)C(=O)O2 238787108 FFZUKRDLFPYGRN-QDPSWAIZSA-N 368.470 2.220 0 1 FEAF COc1ccc(C2(NC(=O)[C@@H]3NC(=O)[C@@H]4CCCC[C@H]4N3)CCCC2)cc1 618014528 WAGLEKRWDMAQNK-KURKYZTESA-N 371.481 2.185 0 1 FEAF COc1cc2nc(N3CCCC3)[nH]c(=N[C@H]3CC[C@H](N)CC3)c2cc1OC 473117385 ZELAASUDFUSWAO-HDJSIYSDSA-N 371.485 2.351 0 1 FEAF Cc1c(-c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)no2)cnn1C 587652762 ISHRWVLKTYJVGN-UHFFFAOYSA-N 369.768 2.435 0 1 FEAF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(Br)nc3[nH]2)c1 587258987 CBIWHTAJCFEURZ-JTQLQIEISA-N 360.215 2.062 0 1 FEAF O=C(CC(F)(F)F)N1CCC[C@@H](c2nnn3cnc4[nH]ccc4c23)C1 1772571685 SHUVTQRKSSOWEE-SECBINFHSA-N 352.320 2.264 0 1 FEAF CN1C[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1=O 205473584 SFXKIJRUYJVHCF-IFCGJNOESA-N 356.466 2.311 0 1 FEAF CC=C1CN2[C@H]3C[C@@]45c6ccccc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)OC 2356429677 DSIOBDCLSMIECF-MVLXVGOHSA-N 352.434 2.270 0 1 FEAF F[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H]1OCc1nc2cnccc2[nH]1 2356299040 SWNSGQWSJRYKRS-SCLBCKFNSA-N 370.384 2.426 0 1 FEAF O=c1ccc2cc(OC[C@H](O)CNCCCc3ccccc3)ccc2[nH]1 27180004 GSVDBDZXAZJJSZ-GOSISDBHSA-N 352.434 2.490 0 1 FEAF CCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)C3CCOCC3)CC2)[C@H]1O 20821428 XXBWNYKAAIPSMV-UXHICEINSA-N 372.509 2.341 0 1 FEAF Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)Nc3ccccc3)[C@@H]2O)cc1 2356619971 ACMNMTMMEAIRBK-GUDVDZBRSA-N 355.438 2.035 0 1 FEAF Nc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2ccsc2n1 45373010 ARVAZDVVLIYGMZ-UHFFFAOYSA-N 369.450 2.001 0 1 FEAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(CO)nc3)c2)cc1 84724310 RJOPAWYXTPAMOM-UHFFFAOYSA-N 355.419 2.289 0 1 FEAF CC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2 82206059 BHPDYQMTSFFMKG-HUUCEWRRSA-N 372.400 2.065 0 1 FEAF NC1=N[C@@]2(CO1)c1cc(-c3cncc(F)c3)ccc1O[C@@H]1COCC[C@H]12 145571766 JRUOFHMDUURXCL-LSBZLQRGSA-N 355.369 2.225 0 1 FEAF CN(C[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C(=O)CC1CC1 95895607 NUFLCBXVHYAIMP-URVUXULASA-N 365.477 2.423 0 1 FEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cncc(Cl)c2[nH]1 586958601 KBFVJYBNVSWRAW-CQSZACIVSA-N 352.803 2.080 0 1 FEAF CN[C@H](c1cccnc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587222392 KKPXKOQPIFAQDS-CQSZACIVSA-N 361.409 2.326 0 1 FEAF CC(C)c1nn(C)c2c1[C@]1(NCC2)C(C(=O)O)=CN(C)c2ccccc21 962923355 YUEKUCJOEUXRCA-HXUWFJFHSA-N 352.438 2.351 0 1 FEAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccccn2)([C@@H]2CCNC2)N1 963229675 PRAKOSIPPYPKOS-LNHNDHHWSA-N 374.444 2.082 0 1 FEAF Cn1cc(-c2ccc(NC(=O)N3CC[C@@H]4CN(C#N)C[C@@H]43)c(F)c2)cn1 1857554774 WGPCDXBJDJWDQB-DYVFJYSZSA-N 354.389 2.245 0 1 FEAF CCC(CC)O[C@@H]1C=C(C(=O)NCc2ccccc2)C[C@H](N)[C@H]1NC(C)=O 1857636555 HUDRYBPIQWAXIO-XUVXKRRUSA-N 373.497 2.039 0 1 FEAF Cc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1ccc(F)cc1 103230921 KHIDEYHOVWAHBR-UHFFFAOYSA-N 359.382 2.377 0 1 FEAF O=C(O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 101752472 UMRYQUBZRNBMRO-JWJMKTMMSA-N 366.461 2.367 0 1 FEAF Cc1ncc2c(c1-c1noc(CC3CCCCC3)n1)CCN(C(=O)CN)C2 23231752 YWALEQRLEARJHJ-UHFFFAOYSA-N 369.469 2.406 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 100829351 YOQIGAVHLYFIAF-WLAHAJDYSA-N 364.438 2.243 0 1 FEAF endogenous,in-man CNC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(OC)cc1 114343576 ZJKRQNYRWHKMJV-INIZCTEOSA-N 351.410 2.110 0 1 FEAF COc1ccc(CCN2CCN(c3cccccc3=O)CC2)cc1OC 29563181 ZOUKETXVKOUUDH-UHFFFAOYSA-N 354.450 2.429 0 1 FEAF N[C@@H](C(=O)N1CCSC1)[C@H]1CC[C@@H](OC(=O)Nc2cccc(F)c2)C1 27996269 IWXJNMIPPGJIDW-NILFDRSVSA-N 367.446 2.403 0 1 FEAF CC(=O)OCCC(=O)[C@@H]1[C@@H]2CC[C@H](COC(C)=O)C[C@@H]2C=C[C@]1(C)O 2356790750 FYDYUINNZWREDS-KWWJQKEASA-N 352.427 2.041 0 1 FEAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccco1)CC3 82195992 VCKPSWAGGVEXNC-UHFFFAOYSA-N 364.361 2.313 0 1 FEAF C[C@@H]1O[C@@H]2N[C@H](CSc3ccc4ccccc4c3)NC(=O)[C@H]2[C@@H]1C(=O)O 618014648 BFVORBXNUMPUJK-SHMPJJDNSA-N 372.446 2.039 0 1 FEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](CCN2C(=O)c3ccccc3C2=O)N1 962921952 NUJLNWQNUPZSEY-HOTGVXAUSA-N 368.364 2.152 0 1 FEAF CCCn1c(=O)c2c(nc3[nH]c(C4CC4)cn32)n(Cc2ccccc2)c1=O 13648067 HQJVISVDMXOQSF-UHFFFAOYSA-N 363.421 2.475 0 1 FEAF CCN1CCC[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)C1 169320492 BINQIJHLGNUKBW-HUUCEWRRSA-N 358.438 2.475 0 1 FEAF COc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1OC 1857597200 PCZWTWBBTBZKBM-UHFFFAOYSA-N 363.377 2.147 0 1 FEAF CC=C1CN2CC[C@@]34C(=O)[C@H]2C[C@H]1[C@@]3(C(=O)OC)C=Nc1ccccc14 2356442071 NOEROADCEPGVQJ-UAMLPYHUSA-N 350.418 2.423 0 1 FEAF CCCn1c(=O)c2nc([C@H]3CC[C@H](C(=O)O)CC3)[nH]c2n(CCC)c1=O 101060821 ZVVKJJVTWDPGLA-TXEJJXNPSA-N 362.430 2.065 0 1 FEAF C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1 26378746 RADSZQZWYHKGEG-KGLIPLIRSA-N 364.467 2.121 0 1 FEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(NCCF)nc23)S1 117829721 UXANIPGYPUMQLK-YHYXMXQVSA-N 362.390 2.009 0 1 FEAF Cc1ccc(C2=NC3(CCN(C(=O)Cc4ccccc4)CC3)NC2=O)cc1 20556514 WRKRXJUAVOJHJX-UHFFFAOYSA-N 361.445 2.475 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H](CNC)C3)c(F)c21 27518794 WOAPETLCLZLWBZ-JTQLQIEISA-N 365.380 2.044 0 1 FEAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3ccc(F)cc3)C[C@@H](O)[C@H]2CO)n1 2356587978 FCVLDYJTNOWOQM-VNTMZGSJSA-N 373.472 2.429 0 1 FEAF C/C=C1/CO[C@@](C(=O)NCCOCCO)(C(F)(F)F)C=C1C=C(C)C 66139794 ZCOOSFDMIYIJNN-BOCDPNTGSA-N 363.376 2.282 0 1 FEAF COc1cc2c(cc1O)[C@H]1Cc3cc(O)c(OC)c(O)c3C(=O)N1CC2 14715576 IRNXYPHDSIOERM-GFCCVEGCSA-N 357.362 2.116 0 1 FEAF biogenic CS(=O)(=O)N1Cc2ccccc2C[C@@]2(CCN(Cc3ccccn3)C2)C1 71991870 SYGJJIXOKIORCY-HXUWFJFHSA-N 371.506 2.292 0 1 FEAF Cc1cnc(N)nc1-c1c[nH]c(C(=O)N[C@H](CCO)c2ccccc2)c1 71788620 BRLUBWWGJGYMMO-OAHLLOKOSA-N 351.410 2.216 0 1 FEAF C[C@@H]1O[C@@H]2N[C@H](CSc3ccc4ccccc4c3)NC(=O)[C@H]2[C@H]1C(=O)O 618014647 BFVORBXNUMPUJK-RCFVTILOSA-N 372.446 2.039 0 1 FEAF C[C@H](c1ccccc1)N1CC[C@@H](CNCc2cc(C(=O)O)ccn2)C1=O 653737406 PBHPFRYXXULYJJ-PBHICJAKSA-N 353.422 2.479 0 1 FEAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)cc1 587786518 RBNPQQTYXWPFJD-KGLIPLIRSA-N 371.418 2.154 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587230575 IFDVDXOPKIVBBD-CHWSQXEVSA-N 359.426 2.371 0 1 FEAF CCOC(=O)Cn1cc([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)nn1 963114459 TUDSMYDURCCVJK-AUUYWEPGSA-N 358.417 2.264 0 1 FEAF CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NC)C1=O 142027223 FUAFRCMPVMWVPP-UHFFFAOYSA-N 370.280 2.378 0 1 FEAF C[C@@H]1C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 6495425 BRYGRWNTDBRNDJ-SJKOYZFVSA-N 354.362 2.478 0 1 FEAF Cc1c(N2CC[C@@H](C)[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520931 OPGBFXUKEQRDKW-QLJPJBMISA-N 373.428 2.496 0 1 FEAF CCN1CCN(c2ncc3c(n2)CCN(Cc2cc(F)cc(F)c2)C3)CC1 8608702 RXHCOJAAEBQJNZ-UHFFFAOYSA-N 373.451 2.455 0 1 FEAF CNc1ccc(C(C)(C)C(=O)NC2[C@@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)cn1 100075725 TUJYKUDQFPOWHV-SKEQJSMHSA-N 370.497 2.197 0 1 FEAF O=C(NCCc1cccc(C(=O)O)c1)NCCc1cccc(C(=O)O)c1 103246194 KGLIARXTRTYIKD-UHFFFAOYSA-N 356.378 2.167 0 1 FEAF Cc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc(=O)[nH]1 23251013 VSHJYPKLEDHLCA-GFCCVEGCSA-N 367.858 2.300 0 1 FEAF O=C(Nc1ccc(Cl)cc1)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 61895808 KCJGDDDYZBSLDQ-YNEHKIRRSA-N 354.815 2.232 0 3 FEAF COC(=O)[C@@]12C[C@H]3CN(CCc4c1[nH]c1ccccc41)[C@H]2C[C@@H]3[C@H](C)O 2356770376 MUQIJJGJDAUUMI-ZMUVMCOHSA-N 354.450 2.226 0 1 FEAF COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 71316716 ANBJLHPYTDNGSV-UHFFFAOYSA-N 363.421 2.443 0 1 FEAF O=C1CC[C@H](c2ccc(O)c3c2C(=O)C[C@H](O)[C@H]3O)c2cccc(O)c21 14927414 XSQFLXZDKVXARD-PYQHJPEKSA-N 354.358 2.187 0 1 FEAF biogenic CCc1nc(C(=O)N[C@H](C(=O)OC[C@@H]2CCCN2C)C(C)C)cs1 82070363 CVFZNWFOSZDUNX-WFASDCNBSA-N 353.488 2.097 0 1 FEAF C[C@@H]1CC[C@]2(C)[C@@](C)(O)[C@H](O)CC[C@]2(O)[C@@]12C[C@H](c1ccoc1)OC2=O 85723317 QIAILSRHPLMWIP-RYDQSVKCSA-N 364.438 2.327 0 1 FEAF CO[C@]1(c2ncc(Cl)cc2C)CCCN(C(=O)c2cn(C)nc2N)C1 473136350 QEFYFIUAJYQZIA-QGZVFWFLSA-N 363.849 2.137 0 1 FEAF COc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1F 586946185 TZHNQASMQMSDBF-UHFFFAOYSA-N 353.375 2.328 0 1 FEAF COc1ccc(C[C@@]2(C(=O)O)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963030344 NLKCDKZQRMVUHZ-LHSJRXKWSA-N 366.417 2.271 0 1 FEAF CCC(=O)NCc1ccc(OC[C@H](O)CNC(C)C)c(Br)c1 169335418 BGPOOJZWGQMLCY-CYBMUJFWSA-N 373.291 2.213 0 1 FEAF CN(C)S(=O)(=O)Nc1cccc(-c2cn(C)c(=O)c3ccccc23)c1 1857757375 LRXYFJZARHSHQC-UHFFFAOYSA-N 357.435 2.424 0 1 FEAF Cc1ccc([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2CCN(C)C)o1 100286780 FNAUEZJKFGUHLN-GJZGRUSLSA-N 360.435 2.163 0 1 FEAF O=C(Cc1ccc(-c2ccccc2)cc1)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O 101063254 XNTBBKCGQMVJMA-HNAYVOBHSA-N 370.357 2.053 0 1 FEAF O=C(CSc1nnnn1[C@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccc(C(=O)O)cc1 104044920 OIROBBRJWJTYBR-QKCSRTOESA-N 371.422 2.239 0 1 FEAF O=c1ccc(-c2ccc(S(=O)(=O)NCc3ccc(F)cc3)s2)n[nH]1 20574745 JTKLCYCYZCWHPK-UHFFFAOYSA-N 365.411 2.116 0 1 FEAF COc1cc(O)cc([C@@H]2OC[C@H](C(=O)c3ccc(O)c(OC)c3)[C@@H]2CO)c1 2356667763 PSOMGRNIAXLWFK-FTRWYGJKSA-N 374.389 2.294 0 1 FEAF COC1=C(OC)[C@@]23CCc4cc(O)c(OC)cc4[C@@]2(CCN3C)CC1=O 14688933 HTOHHJTUVLJPIE-UXHICEINSA-N 359.422 2.136 0 1 FEAF biogenic CC(=O)c1[nH]c2cc(Cl)ccc2c1NC(=O)C(=O)N=c1cc[nH]cc1 1911584451 UIVCNYKUVPAJLU-UHFFFAOYSA-N 356.769 2.418 0 1 FEAF O=C1N[C@H]2CCN(C(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 25412478 QRISHAVBCQYEDZ-HOTGVXAUSA-N 353.353 2.165 0 1 FEAF biogenic O=C(NC[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C1CCCC1 95895597 QGQBRNQBZXVCIC-ACRUOGEOSA-N 365.477 2.471 0 1 FEAF Cc1ccccc1CN(CC(=O)O)Cc1ccc(C(=O)O)c(C(=O)O)c1 473091465 YKNSWXWJNIEMDH-UHFFFAOYSA-N 357.362 2.478 0 1 FEAF NS(=O)(=O)c1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587042703 WDYGNOMMFJOREM-HIFRSBDPSA-N 374.491 2.157 0 1 FEAF O=C(O)CCN(CCc1nc2cnc(Cl)[nH]c-2n1)Cc1ccccc1 587193980 VRBJZKJNCYDXKF-UHFFFAOYSA-N 359.817 2.477 0 1 FEAF CN(C)CC1=CC2=CN(S(=O)(=O)c3ccccc3)C3=CC=C[C@H](O1)[C@@H]23 1772625506 TUTKZANFXFVKEG-OALUTQOASA-N 356.447 2.489 0 1 FEAF NC(=O)c1cccnc1Nc1nc(-c2ccc3c(c2)OCO3)cc2nccn12 1772626555 ISMTZILYYZWYHE-UHFFFAOYSA-N 374.360 2.363 0 1 FEAF C[C@H]1C=C(C(=O)NCc2nc3ccccc3[nH]2)O[C@@H](OCCCCO)C1 12482472 HBXVGYKJPKLVAU-SCLBCKFNSA-N 359.426 2.235 0 3 FEAF O=C(O)CN1CCc2cc(OCCCCC3CCNCC3)ccc2C1=O 13763518 HPUSEBGEIYOPDD-UHFFFAOYSA-N 360.454 2.318 0 1 FEAF N[C@H](C(=O)N1CC[C@H](F)C1)[C@@H](CO)c1ccc(-c2ccc(F)cc2)cc1 14947742 AZYZWBWKCOKZCC-FHWLQOOXSA-N 360.404 2.466 0 1 FEAF COCCNC(=O)c1ccc(OCc2c([C@@H]3CCCCN3)noc2C)nc1 169685418 RMGRVWWGRIGWRJ-INIZCTEOSA-N 374.441 2.148 0 1 FEAF CNc1nc(Nc2ccc(-n3cnnn3)cc2OC)ncc1C(F)(F)F 169704344 AQHSOZLHYMNRDO-UHFFFAOYSA-N 366.307 2.265 0 1 FEAF CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccnc1)c1ccccc1 201448646 HNMQTVIEOXHCFI-QGZVFWFLSA-N 359.451 2.288 0 3 FEAF CS(=O)(=O)c1nc(-c2ccc(Cn3cnc4ccccc43)cc2)n[nH]1 1857637413 XBPDUOQCBANXDX-UHFFFAOYSA-N 353.407 2.273 0 1 FEAF COc1ccc(C(=O)[C@@](O)(Cn2cnnc2)c2ccc(OC)cc2)cc1 26008489 WFULLVLYMPLRIW-LJQANCHMSA-N 353.378 2.066 0 1 FEAF COc1cc(O)c2c(c1)[C@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCC[C@H](C)OC2=O 2356721029 QSSWIPLGEQHZBQ-GAFAAKQLSA-N 366.410 2.072 0 1 FEAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCS(=O)CC4)ncn3)c2c1 221130608 IPTWQKVEANNSTP-UHFFFAOYSA-N 371.466 2.376 0 1 FEAF CC[C@]1(O)C[C@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@@H]24 238750906 CPNXQIOMUYAVKQ-QRDAFUTHSA-N 354.450 2.416 0 1 FEAF CCc1[nH]c2nc(Oc3cncnc3)nc(N3CC[C@@H](N)C3)c2c1Cl 95590229 LNTNKYNNXYMRKT-SECBINFHSA-N 359.821 2.293 0 1 FEAF CC(C)n1cc(C2=NCc3ccnc(OCCN4CCOC4=O)c32)cn1 96176062 BOZGCTPALLUHQS-UHFFFAOYSA-N 355.398 2.041 0 1 FEAF C[C@@H]1CC[C@@H]2C(=O)NC[C@@H](O)CN2[C@H]1c1ccc(Br)cc1 254046278 CBJAXLVQLSPOSC-JUDXGUMMSA-N 353.260 2.081 0 1 FEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)ncc2[nH]1 586958338 IQBDIULQDPIREE-CQSZACIVSA-N 352.803 2.080 0 1 FEAF COC1(c2ccccc2)CCN(c2ccc(-c3nc(CO)no3)nn2)CC1 1772613176 IKHWXCNTLZSWJF-UHFFFAOYSA-N 367.409 2.161 0 1 FEAF O=C(NCCCc1c(O)nc(O)nc1C(=O)O)c1ccc2ccccc2c1 1772629739 DMPOKKYIJNBFJG-UHFFFAOYSA-N 367.361 2.102 0 1 FEAF CCOC(=O)Cc1c(C)nc2nc(NCc3ccccc3C)nn2c1O 15668914 PNWFKUWKCYHNSG-UHFFFAOYSA-N 355.398 2.164 0 1 FEAF Cc1cc(-n2ncc(C(=O)N3CCC(C(F)(F)F)CC3)c2C)nc(O)n1 1857591410 HLIMSLMOXMVCJU-UHFFFAOYSA-N 369.347 2.399 0 1 FEAF O=C1C[C@@H]2[C@H](C[C@H](O)[C@H]2C=C[C@H](O)COc2cccc(C(F)(F)F)c2)O1 2356380264 XYSPYIAAWRUEML-YDMUCJKGSA-N 372.339 2.314 0 1 FEAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 118928936 MQSSTQLJJOVNQF-HEEAJRSSSA-N 352.515 2.474 0 1 FEAF C[C@@]1(C(=O)NCC2CC2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 61930886 MSRALVRCTZHUDY-FQEVSTJZSA-N 351.406 2.067 0 3 FEAF CS[C@]1(Cc2ccccc2O)NC(=O)C(=Cc2ccccc2)NC1=O 2356797495 NZNWTLCVZHTAQS-IBGZPJMESA-N 354.431 2.281 0 1 FEAF C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 2356820813 FOLOIUYKGZEVJY-QENOCHSWSA-N 354.462 2.095 0 1 FEAF CCN1CCN(c2ncc(C)c(NCc3ccc4c(c3)OCO4)n2)CC1 82202669 YSULHKHYXMHOKX-UHFFFAOYSA-N 355.442 2.268 0 1 FEAF CCC(=O)N(CC1CCC1)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O 95895130 QIJXTCMQPGAPCQ-ZVDOUQERSA-N 358.482 2.401 0 1 FEAF CC1(C)C=Cc2c(ccc([C@]3(O)COc4cc(O)cc(O)c4C3=O)c2O)O1 43122239 NDCXIIAUSGBKRL-HXUWFJFHSA-N 370.357 2.451 0 1 FEAF biogenic O=C1COc2cc3[nH]c(CNC(=O)c4cc5c(s4)CCC5)nc3cc2N1 587033943 CRNDDDUDUDGRQA-UHFFFAOYSA-N 368.418 2.374 0 1 FEAF COC(=O)c1cccc(OCC(N)COc2cccc(C(=O)OC)c2)c1 2178320069 DUHSRPADTJFCDG-UHFFFAOYSA-N 359.378 2.045 0 1 FEAF COC(=O)c1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cn1 587007533 AFBZVLVQCYDOBQ-UHFFFAOYSA-N 373.170 2.217 0 1 FEAF COc1ccccc1Nc1nc(N2CCCC2)nc(N2CCOCC2)n1 12480321 MOPFFGAMTVYGOC-UHFFFAOYSA-N 356.430 2.061 0 3 FEAF COc1cc(NCc2ccc3nc(N)nc(N)c3c2)cc(OC)c1OC 13283591 UQEQZLDUBBDNMD-UHFFFAOYSA-N 355.398 2.432 0 1 FEAF O=c1c2cc(F)c(F)cc2nc(CN2CCNCC2)n1-c1ccccc1 169341597 VHAMERSKVUBMLK-UHFFFAOYSA-N 356.376 2.069 0 1 FEAF CC(=O)N1CCC(N2C[C@H](F)[C@H](OCc3nc4ccccc4[nH]3)C2)CC1 2356349359 DEVKKSKVEUQZOB-MAUKXSAKSA-N 360.433 2.113 0 1 FEAF C[C@H]1CC[C@H](Oc2nc(N)c3c(=O)ccn([C@H]4CCC[C@@H]4O)c3n2)CC1 102993219 MHTYRJRAANRRFD-CRWXNKLISA-N 358.442 2.417 0 1 FEAF Cc1c(N2CC[C@H]3C[C@@]3(N)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12 1911574168 XCMLBGXZRPIXHP-RNODOKPDSA-N 356.445 2.170 0 1 FEAF COc1cc(C)cc(OC)c1OC(=O)[C@H](CC[S@@](C)=O)N1CCCC1 40465118 YNEIGJNEKCKFLJ-SXBQZSJRSA-N 369.483 2.151 0 1 FEAF Cc1nc2n(c1C(=O)CN1CCN(c3ccc(F)cn3)CC1)CCCC2 96258489 GIBCQZOKZTXHKX-UHFFFAOYSA-N 357.433 2.067 0 1 FEAF COC(=O)[C@H](CNCCc1ccc(OC)c(OC)c1)[C@H](O)c1ccccc1 98082737 JHAWMFYGVUBJJC-YLJYHZDGSA-N 373.449 2.359 0 1 FEAF C[C@@H](O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 255210063 FTIPFRDCMUGVRU-UCFYNNRMSA-N 352.515 2.473 0 1 FEAF COC(=O)[C@@H]1C[C@]2(CCN1)N[C@H](C)Cc1ccc(F)c(Br)c12 587793882 OEEHWZQEGCBLDD-ABYOOWDOSA-N 371.250 2.243 0 1 FEAF Cc1cc2c(cc1O)[C@](C)(c1ccc3c(c1)OCCO3)N[C@H](C(=O)O)C2 963506009 DJYIHSXQQPGBEU-YWZLYKJASA-N 355.390 2.334 0 1 FEAF CO[C@@H]1[C@H]2OC(=O)O[C@H]2[C@H](OC(=N)C(Cl)(Cl)Cl)OC1(C)C 116652244 FWPYNYDRGPZEKJ-BDVNFPICSA-N 362.593 2.404 0 1 FEAF O=c1oc2c(O)ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)c2s1 1772650812 GHDHVHDWAGDKHB-UHFFFAOYSA-N 360.299 2.450 0 1 FEAF O=C(N[C@H]1CCCN(Cc2ccccn2)C1)c1ccc2c(c1)OCCO2 11667827 CNTUZUPZVZLJSY-KRWDZBQOSA-N 353.422 2.247 0 1 FEAF COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1OC 13479962 YJWKFEOPTCAJCT-OGBLJDROSA-N 353.418 2.299 0 1 FEAF CCCC(=O)NCc1ccc(OC[C@@H](O)CNC(C)(C)C)c(OC)c1 169335449 XCHQZSUHMMTAIY-HNNXBMFYSA-N 352.475 2.239 0 1 FEAF O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc(F)cc2c1OCOC2 168152430 ZJZLMAIBXQTSLO-UHFFFAOYSA-N 357.337 2.044 0 1 FEAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCCN2CCCC2)cc1 2465000 GGZKNJDATXWRKB-HXUWFJFHSA-N 358.486 2.095 0 1 FEAF F[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H]1OCc1nc2cnccc2[nH]1 2356299041 SWNSGQWSJRYKRS-UGSOOPFHSA-N 370.384 2.426 0 1 FEAF CC=C1CO[C@H](O)[C@]2(C(=O)OC)[C@H]1C[C@H]1NCCc3c1n2c1ccccc31 2356377711 JNERBODVRAQESP-LXDRIQHSSA-N 368.433 2.011 0 1 FEAF Cn1c(SCC(=O)NC[C@H]2CCCO2)nc2c3ccccc3nc-2c1O 100705215 CJEXKNAHSCXZBN-LLVKDONJSA-N 372.450 2.166 0 1 FEAF CC(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 34820436 WXPPJCCGUFQJSD-UHFFFAOYSA-N 368.368 2.387 0 1 FEAF CNC(=O)Cn1c(=O)n(C2CCN(CCC(C)C)CC2)c2ccccc21 49051234 TUWMWDMSXAMIKI-UHFFFAOYSA-N 358.486 2.232 0 1 FEAF CC(C)N(C[C@H](C)NC[C@H](O)c1ccc(O)c(C(N)=O)c1)c1ccccc1 40511606 WXHZNQCQBSNBSE-YWZLYKJASA-N 371.481 2.418 0 1 FEAF O=C(Cc1cccs1)N[C@H]1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 34367134 HTMGDOLFVMFINJ-XJKSGUPXSA-N 369.446 2.407 0 1 FEAF biogenic COc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 586955245 MIRLNFQRUYUUDO-UHFFFAOYSA-N 372.450 2.138 0 1 FEAF CN(C)S(=O)(=O)CCc1nc2cc(Br)c(F)c(F)c2[nH]1 586932270 YZPYPBIRYTVAQM-UHFFFAOYSA-N 368.203 2.038 0 1 FEAF CCOC(=O)C(F)(F)c1ccc(-c2ccc3c(O)nc(O)nc3n2)n1C 587368303 GOSOCZAWWHXNHK-UHFFFAOYSA-N 364.308 2.096 0 1 FEAF Oc1cc(Cc2ccc(Cl)cc2)nn1-c1cc(-c2nnn[nH]2)ccn1 146711702 KGEBIPZLKBPXBD-UHFFFAOYSA-N 353.773 2.397 0 1 FEAF CN(C[C@@H](O)Cn1c2cc(F)ccc2c2c(F)cccc21)S(C)(=O)=O 149350375 LIMMFCZLXCFBSH-GFCCVEGCSA-N 368.405 2.325 0 1 FEAF Cn1c(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)nc2ccccc21 1772577275 MBAPZLTZXLKKCH-UVTDQMKNSA-N 370.434 2.232 0 1 FEAF O=C(NCCc1ccccc1)C1=CCN(S(=O)(=O)c2ccccc2)CC1 5036145 HEUDXYFPKPJPJZ-UHFFFAOYSA-N 370.474 2.366 0 3 FEAF NC[C@H]1CC[C@H](c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)CC1 1857652518 DCJQGVYNXGWZFJ-HDJSIYSDSA-N 367.453 2.331 0 1 FEAF Cc1ccccc1CNCC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 1857754605 MKVRLRPVYJXCMO-UHFFFAOYSA-N 362.433 2.379 0 1 FEAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)C1(n2cnnn2)CCCCC1 2356423109 ODUXDEQINCLRPD-IAGOWNOFSA-N 360.506 2.055 0 1 FEAF C1=C[C@@H]2NC=C[C@@H]2C(OC2CCN(c3ccc(-n4ccnc4)nn3)CC2)=C1 101310869 UJIMAOCGCGNVGP-IRXDYDNUSA-N 362.437 2.203 0 1 FEAF COc1ccc(C(=O)[C@](O)(Cn2cnnc2)c2ccc(OC)cc2)cc1 26008496 WFULLVLYMPLRIW-IBGZPJMESA-N 353.378 2.066 0 1 FEAF O=C1N[C@@H](C(=O)NCCO[N+](=O)[O-])[C@H](c2cccc3ccccc23)S1 29327767 DXEYXBDSMGKKJY-KGLIPLIRSA-N 361.379 2.030 0 1 FEAF O=C1Nc2ccc(C=Cc3ccc(O)cc3)cc2C(=O)N2C[C@H](O)C[C@H]12 2356314376 FESHBJMOZADKSM-CRAIPNDOSA-N 350.374 2.090 0 1 FEAF CC(=O)OCC1=C[C@H](O)C[C@]2(C)[C@@H]1CC[C@H]1C[C@H]3C[C@@]12CC[C@]3(O)CO 2356739057 YCJCQOJMBQQSIB-WYLBFHJUSA-N 364.482 2.187 0 1 FEAF CC1CCN(C(=O)c2[nH]cnc2C(=O)N2CCc3ccccc3C2)CC1 36388119 CRGNWPWPIFOUHS-UHFFFAOYSA-N 352.438 2.480 0 3 FEAF CN1CCO[C@H](CN2c3ccccc3N(c3ccccc3)S2(=O)=O)C1 72120349 HRZCVADZOIJDCK-INIZCTEOSA-N 359.451 2.220 0 1 FEAF CNC[C@H]1Oc2ncc(C3=CCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C 95701456 DEJJSLUDOQSOIG-HBUWYVDXSA-N 359.470 2.088 0 1 FEAF Nc1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)nc(N)n1 95596750 YBCWQZMABMTZBT-UHFFFAOYSA-N 355.833 2.169 0 1 FEAF O=C(NCCc1nc2ccc(-n3cnnn3)cc2[nH]1)OCc1ccccc1 587228150 JMZRHHHSHMMBJO-UHFFFAOYSA-N 363.381 2.008 0 1 FEAF CCCc1c(O)ccc2c1O[C@H](c1cnc3c(C(N)=O)cnn3c1)CC2=O 587487934 ZGNHAXHSXWGZSH-INIZCTEOSA-N 366.377 2.193 0 1 FEAF CN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](CCO)C1 587580269 BQKWQOVKBJFVQS-IBZMOEQTSA-N 369.417 2.427 0 1 FEAF COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC=O)CC2 5202361 NARFZZQNNQGPBJ-CQSZACIVSA-N 371.389 2.179 0 1 FEAF biogenic CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C[C@H](C)O2 14966266 JXDVAXZXKPBBKM-LBPRGKRZSA-N 357.458 2.494 0 1 FEAF OC[C@@H](O)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 169343332 WIAUXGITORCDBB-OAHLLOKOSA-N 372.787 2.437 0 1 FEAF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@@H]2C(=O)N(C)C(=O)[C@@H]21 1857558493 KOZKGCYTRIIXBI-VBQJREDUSA-N 364.338 2.421 0 1 FEAF CCOCn1c(C(=O)c2ccc(-c3ccccc3)cc2)cc(=O)n(O)c1=O 1857613593 STYDCUUBPOWGBX-UHFFFAOYSA-N 366.373 2.139 0 1 FEAF CC1CCN(C[C@H](NC(=O)[C@H]2Cc3ccc(O)cc3CN2)C(C)C)CC1 1857634831 QHBNPMPKVNZQAM-UXHICEINSA-N 359.514 2.279 0 1 FEAF CC=C1CN2CC[C@@H]3Nc4ccccc4[C@@H]3[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC 2356446760 QLRORKBBLVDRPD-CJGGRQNCSA-N 356.466 2.386 0 1 FEAF CC(C)C(=O)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 64564992 GIOXUGQDHRDESE-UHFFFAOYSA-N 359.470 2.039 0 1 FEAF CN[C@H]1CCC2=C[C@H](OC)[C@@H](OC)C(OC)=C2c2ccc(OC)c(=O)cc21 27712027 NESSNBSJHKOKKH-ZAAXVRCTSA-N 373.449 2.437 0 1 FEAF O=C(O[C@@H]1CCN2C[C@H]3C[C@@H](C(=O)N4CCCC[C@@H]34)[C@H]2C1)c1cc[nH]c1 2356744615 UWHDHUKDMHBCOD-HSFUPAIVSA-N 357.454 2.035 0 1 FEAF COC1=C(c2ccc(OC)cc2)C(=O)[C@H](O)[C@](O)(c2ccc(OC)cc2)C1 15257980 GZSCQNISHIIIPB-LEWJYISDSA-N 370.401 2.283 0 1 FEAF biogenic O=C1NC(=O)C(c2c(-n3cccn3)[nH]c3ccccc23)=C1Br 84706672 DRPZWOGMVSZOOZ-UHFFFAOYSA-N 357.167 2.116 0 1 FEAF COc1cc2oc(=O)cc(CN3CCN(C(C)=O)CC3)c2cc1Cl 95569153 NYBVRMRNTFQPIV-UHFFFAOYSA-N 350.802 2.119 0 3 FEAF COc1ccc(C=c2nc(O)c(=Cc3ccc(Cl)cc3)nc2O)cc1 253638416 QBSOJVDCCQSLPB-UHFFFAOYSA-N 354.793 2.207 0 1 FEAF COc1cc2c3c(c1)O[C@](C)(c1cnc4nc(C)nn4c1C)[C@@H](C2)C3=O 587436361 ONCPJXCFDBGNAK-DJJJIMSYSA-N 350.378 2.413 0 1 FEAF C/C=C1/CN(C=O)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 14649866 NHUKMNGLSAXGDK-MJOCRGRTSA-N 366.417 2.489 0 1 FEAF CC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1nc(N)no1 206687366 PVSHFURIMWEVDP-UHFFFAOYSA-N 357.414 2.378 0 1 FEAF C[C@@]1(C(=O)NCCCN2CCCC2=O)CON=C1c1cccc(Cl)c1 2470690 UXACGOCSLDWLCF-GOSISDBHSA-N 363.845 2.209 0 1 FEAF O=S(=O)(NC[C@@H]1COCc2nc3cc(F)ccc3n21)c1ccccc1 2356301628 CBWLOEPVRQTNOR-CYBMUJFWSA-N 361.398 2.225 0 1 FEAF CS(=O)(=O)c1ccc(C(=O)c2c(Cl)cc3n2CC[C@H]3C(=O)O)cc1 27899561 RDYPPCIXQUXZSU-LLVKDONJSA-N 367.810 2.348 0 1 FEAF CC[C@@H]1[C@H](O)C[C@]2(O[C@@H]1C)O[C@H]([C@H](C)C=CC(=O)O)[C@H](C)[C@H](O)[C@H]2C 2356328625 YCCKJDBCKPNDFZ-ABWWZWAXSA-N 356.459 2.187 0 1 FEAF CC=C1CN(C=O)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@H]2C(=O)OC 2356506947 NHUKMNGLSAXGDK-DKSSEZFCSA-N 366.417 2.489 0 1 FEAF CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccn1)C(C)C 66112074 HCHRKOGOVPHJEN-ZBFHGGJFSA-N 364.446 2.451 0 1 FEAF Oc1cc(C2=NCCN2)ccc1-c1cc2cc(C3=NCCN3)cc(O)c2o1 40938542 XCQCRVBHBNNPAY-UHFFFAOYSA-N 362.389 2.211 0 1 FEAF O=C(CC1(c2ccc(F)cc2)[C@H]2CC3C[C@H]1CC(O)(C3)C2)N1CC(O)C1 145906102 PCEMDDIOGANAQL-WOWGROEGSA-N 359.441 2.228 0 1 FEAF NCCCNc1c(C(=O)NCc2ccc(F)cc2)ncc2cccnc12 95573866 HXNBJOCLFXRAEM-UHFFFAOYSA-N 353.401 2.460 0 1 FEAF C[C@H](O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 255210061 FTIPFRDCMUGVRU-ISKWUEMLSA-N 352.515 2.473 0 1 FEAF COCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 587755964 CBYKNQSMPBDWEQ-RTHLEPHNSA-N 355.211 2.407 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(C(=O)O)N1 587829138 QTTDSQHPATVFNX-UOWDBTKRSA-N 360.179 2.267 0 1 FEAF CC1(C)OC[C@@H]([C@@H]2O[C@H](OC(=O)c3ccccc3)[C@H]3OC(C)(C)O[C@@H]23)O1 95921443 JGSXTAWLEPFZIZ-WNZSCWOMSA-N 364.394 2.240 0 1 FEAF Cc1c(CC(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 13445822 WMFPGJIEXUIPGN-UHFFFAOYSA-N 352.390 2.489 0 1 FEAF COc1ccccc1CN=c1nc2sc(-c3cnccn3)nc2c(N)[nH]1 1857637690 CWJBGKDKRPFHJM-UHFFFAOYSA-N 365.422 2.168 0 1 FEAF CCN1CCCC2(CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)C1 1857771007 UQMBSENCTSYVJL-UHFFFAOYSA-N 366.483 2.302 0 1 FEAF Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN3CCCC[C@@H]3C)n2)cc1 2965308 XWKUCTDWHUFMIF-KRWDZBQOSA-N 368.481 2.209 0 3 FEAF COCCNC(=O)c1onc(CSc2ccccc2C)c1C(=O)O 8672429 JRZSDZNJSWCICG-UHFFFAOYSA-N 350.396 2.350 0 3 FEAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC(=O)[C@@]13C[C@@H](CC[C@H]21)[C@@](O)(CO)C3 2356413276 VRIMVJLJGZEEBA-IXUYHEACSA-N 350.455 2.386 0 1 FEAF Cc1ccc(NC(=O)c2ncn(CC(=O)NCc3ccccc3)n2)cc1C 61945216 GUAOUDXSPVTQFJ-UHFFFAOYSA-N 363.421 2.464 0 3 FEAF C/C=C/CC(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26500204 FRKDCROOGBHQRN-BWPKMQGJSA-N 362.451 2.384 0 1 FEAF Cc1ccc2c(NC(=O)[C@@H](C)O)c(O)c3c(c2n1)C=C[C@]1(C)C=CC(=O)N31 2356792256 JMWGAVNXQRWSGS-BIBXISHDSA-N 365.389 2.256 0 1 FEAF O=S1(=O)N(CC[C@H]2CNCCO2)c2ccccc2N1c1ccccc1 72114521 QVFGNQQNMCPCBY-INIZCTEOSA-N 359.451 2.268 0 1 FEAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCCC4)cc(Cl)nc32)C[C@H]1O 40491968 VKAISMJLRZBFEC-VNHYZAJKSA-N 366.849 2.470 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C 86010676 YOQIGAVHLYFIAF-KATSFMBSSA-N 364.438 2.243 0 1 FEAF in-man Cc1ccncc1-n1ncc2c(=O)[nH]c([C@@H]3CC[C@@H]3c3ncccn3)nc21 145066079 QKQITTYGLPXNKK-QWHCGFSZSA-N 359.393 2.263 0 1 FEAF COc1cccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3C(C)=O)c1 95893948 KOXXFKSHTPUYBY-SLFFLAALSA-N 366.417 2.031 0 1 FEAF O=C(CCC[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1)NCc1cc(Cl)ccn1 618015636 XTOVRHRNJSCJGB-PMPSAXMXSA-N 364.877 2.126 0 1 FEAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587238488 AFUSIMKHYQCJCQ-UHFFFAOYSA-N 373.438 2.279 0 1 FEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N2CCCC2=C1C(=O)O 587485249 QYEMRAXBMHRRGM-HXUWFJFHSA-N 371.389 2.414 0 1 FEAF Oc1nc(O)c2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2n1 587029294 LRSJSGGQMMQCLS-UHFFFAOYSA-N 365.378 2.286 0 1 FEAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587453321 YJIWDNHZQPPHKT-ORAYPTAESA-N 354.314 2.121 0 1 FEAF COc1ccccc1CC(=O)c1nc2cc(S(=O)(=O)N(C)C)ccc2[nH]1 587928907 DMZFNECMBOIXMF-UHFFFAOYSA-N 373.434 2.247 0 1 FEAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(O)ncnc3[nH]2)cc1 587040338 NEYCQMWOYPQCNN-LBPRGKRZSA-N 371.422 2.345 0 1 FEAF O[C@H](c1nc2cc(I)cnc2[nH]1)C1CCOCC1 586912893 HLPPQCLYSGDHNH-JTQLQIEISA-N 359.167 2.023 0 1 FEAF c1cc2c(cc1-c1cnn3ccc(=NCCN4CCCCC4)[nH]c13)OCO2 1857574566 MSCCKFVOIUKYFD-UHFFFAOYSA-N 365.437 2.445 0 1 FEAF O=P(O)(O)C(CNc1ccc(-c2ccccc2)cc1)P(=O)(O)O 13673814 IVYDRBXYBXGECK-UHFFFAOYSA-N 357.239 2.447 0 1 FEAF CCC[C@H](O)CC=C[C@H](O)CCCC(=O)OCCCCCNC(C)=O 2356324529 JMFZUNRAZVOAHJ-ROUUACIJSA-N 357.491 2.475 0 1 FEAF C[C@H]1CCCCN1C(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479659 SRJDLWQYOPSOMA-KBPBESRZSA-N 359.426 2.147 0 3 FEAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccccc2F)n1 2356289058 OVROJTCYYNQQHS-CUDHKJQZSA-N 373.472 2.429 0 1 FEAF OC[C@@H]1CCCN1c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 9683823 NNWAALAWKNOPQX-AWEZNQCLSA-N 354.385 2.421 0 1 FEAF CC[C@]12C=CCN3CC[C@]4(c5ccccc5N(C)[C@@H]4[C@](O)(C(=O)OC)C1)[C@H]32 2356495543 VCANAWRETHJMLW-NQOGSSOHSA-N 368.477 2.091 0 1 FEAF CC1CCN(CC(=O)NN2C(=O)c3cccc4cccc(c34)C2=O)CC1 31847671 MEXGQNLBAWNRDM-UHFFFAOYSA-N 351.406 2.199 0 1 FEAF CN1[C@H]2Cc3cc4c(cc3[C@]23Cc2ccc5c(c2[C@H]1O3)OCO5)OCO4 38793135 HJDZNSLTBDNJJW-PWIZWCRZSA-N 351.358 2.481 0 1 FEAF CN(CCCNCc1ccc2c(c1)OCO2)c1nc(-n2ccnc2)ns1 35277161 ZJFFPGMGWOEQLF-UHFFFAOYSA-N 372.454 2.069 0 1 FEAF O=C1N[C@H]2CCN(C(=O)C3CCCCC3)[C@H]2C(=O)N1Cc1ccccc1 25411890 KDMBTGYFHMVTIP-DLBZAZTESA-N 355.438 2.288 0 1 FEAF biogenic NC(=O)Cn1c2c(c3cc(Br)ccc31)CC[C@H](C(=O)O)C2 473135408 IALVQODOZJMHOS-QMMMGPOBSA-N 351.200 2.079 0 1 FEAF N=c1[nH]cc2nc(/C=C/c3cc4c(cc3Br)OCO4)nc-2[nH]1 586999362 YHVLWVQMTZUMCP-OWOJBTEDSA-N 360.171 2.379 0 1 FEAF CCOC(=O)/C(=C\N(C)C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C 587650994 YJPOBGLAUKLKFO-UVTDQMKNSA-N 350.440 2.345 0 1 FEAF CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397764 AZCYLVJNBBQBEL-BFUOFWGJSA-N 363.410 2.434 0 1 FEAF Cc1c(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccccc34)CC2)cnn1C 169351684 RHXRDLVDRCUTRK-UHFFFAOYSA-N 365.437 2.287 0 1 FEAF COc1cccc(-n2cc3nc(O)n(Cc4cccc(F)c4)n3c2=O)c1 1857605198 SKUQIPSVYZUBAB-UHFFFAOYSA-N 354.341 2.188 0 1 FEAF COCc1cc(C[C@@H]2CC[C@@H](O)[C@@H](CNCc3ccccc3F)O2)no1 2356422837 KJZXYZWNDDCXFM-KFKAGJAMSA-N 364.417 2.201 0 1 FEAF CC(C)(C(=O)O)[C@@H]1CC[C@@]23OC(=O)[C@@](C)(CC[C@@H]2[C@@]1(C)CC(=O)O)[C@H]3O 2356467937 KTIYLKYZGCWKLT-ZXPWVNTJSA-N 368.426 2.061 0 1 FEAF O=C1Nc2cc(Br)ccc2/C1=c1/[nH]c2ccccc2/c1=C\O 103240839 KVOXCWBRLIEGAY-FSPLNVSGSA-N 355.191 2.378 0 1 FEAF COc1ccc(CCNC[C@@H](O)COc2cccc3[nH]c(=O)ccc23)cc1 26294680 YDANDJGYMXVJPA-MRXNPFEDSA-N 368.433 2.109 0 1 FEAF COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@@H]1C(C)(C)C[C@H]2NC(C)=O 2356819243 FAKHGLDEZGNTPR-YKCBXCCJSA-N 368.518 2.001 0 1 FEAF O=C1N[C@@H]2CCN(C(=O)C3CCCCC3)[C@@H]2C(=O)N1Cc1ccccc1 6137749 KDMBTGYFHMVTIP-SJORKVTESA-N 355.438 2.288 0 1 FEAF biogenic Cn1nc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2)ccc1=O 72179545 VZAMXAIBSUJMCA-UHFFFAOYSA-N 366.465 2.148 0 1 FEAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3[C@H](O)[C@H]12 13309415 HBPNZWWAQVKYPJ-HEZNQXFYSA-N 368.433 2.150 0 1 FEAF biogenic O=S(=O)(O)Oc1ccc2c(c1)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4 14584305 OGNAERBXKNMZRC-BZNIZROVSA-N 364.331 2.207 0 1 FEAF biogenic CCCCn1c(-c2ccccc2OC)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 45299310 CTOXFFCHKKGUMS-UHFFFAOYSA-N 367.409 2.152 0 1 FEAF COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2C[C@]4(O[C@@H]4C)[C@@H]1C[C@H]23 85567352 BXDSNQSESIAPFZ-IGZXGJBNSA-N 368.433 2.051 0 1 FEAF C[C@@H]1CC[C@]2(O)[C@H](C[C@@H](O)C2(C)C)C(=O)[C@@]1(C)CCC1=CC(=O)OC1 473124791 XDKFKXXCPUQUEE-SQVUNMRZSA-N 350.455 2.393 0 1 FEAF CO[C@](C)(C[C@H]1C=C(C)C(=O)O1)[C@H](O)COc1ccc2ccc(=O)oc2c1 85759478 RQBQLXAWTWABLH-WRWLIDTKSA-N 374.389 2.200 0 1 FEAF biogenic Cc1csc([C@@](O)(Cc2nc3cc(N)c(N)cc3[nH]2)C(F)(F)F)n1 587093473 FGXPUBDBYGQKNV-ZDUSSCGKSA-N 357.361 2.485 0 1 FEAF Cc1c(OCCO)ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12 1772585248 OOUYNGDNBNMVIP-UHFFFAOYSA-N 358.438 2.490 0 1 FEAF O=C1C[C@@H](SCc2ccccn2)N1C(=O)N[C@H](CO)c1ccccc1 5939171 IRZVPGLYRJGEBO-NVXWUHKLSA-N 357.435 2.316 0 1 FEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Nc1cccc2ncccc12 13150609 BOLBRZWHNIBFRJ-CLKPQZMYSA-N 373.412 2.226 0 1 FEAF O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 4197014 IHVSYGJVGWCWRK-IKGGRYGDSA-N 374.437 2.425 0 1 FEAF O=C(O)Cc1ccc2c(c1)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 6093150 HOLKFWCVMQYHCW-HNNXBMFYSA-N 365.838 2.413 0 1 FEAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1C(=O)C[C@H]1[C@]2(O)[C@@H](O)C[C@H]2C(C)(C)CCC[C@]21C 2356380303 ZVUXDKNPHFTWRA-PTEFYHRASA-N 350.455 2.081 0 1 FEAF O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccccc1 28878949 QZYUXANSFKXUJG-UHFFFAOYSA-N 364.449 2.397 0 3 FEAF CN1Cc2cc(-c3ccc(/C=C4\NC(=S)NC4=O)s3)ccc2C1=O 117897908 JFMISICGCNHPMU-QPEQYQDCSA-N 355.444 2.346 0 1 FEAF CCOC(=O)[C@H](C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1 104197276 RIQCCRFLVANOAM-NSHDSACASA-N 358.423 2.413 0 3 FEAF CC(C)C[C@@H](C[P@](=O)(O)CNC(=O)OCc1ccccc1)C(N)=O 29335753 YFMGJHQYVKSSNX-AWEZNQCLSA-N 356.359 2.288 0 1 FEAF CO[C@@H]1[C@H](OC)C=C(C)C[C@H](OC(C)=O)[C@@]23O[C@H](O)[C@@H]1[C@@H]2CC3(C)C 2356585008 AAWDEFFPMVTDSD-CSZHATAXSA-N 354.443 2.048 0 1 FEAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@@H]1CC(=O)NCCN(C)C 2356870444 XRHIKCUDHMGCKH-GUDVDZBRSA-N 363.546 2.435 0 1 FEAF Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2ccccc2)cc1 61902857 BYWGWSAGUTZOBK-LJQANCHMSA-N 372.446 2.105 0 3 FEAF CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4cccc(N)c4)cc3OC[C@@H]12 73164991 IGRNLWIBKYNJKP-WMZOPIPTSA-N 353.378 2.158 0 1 FEAF COc1cncc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c12 586928645 HAJLPCGNYXWBIP-UHFFFAOYSA-N 366.830 2.441 0 1 FEAF Cc1csc([C@@](O)(Cc2nc3cccc(C(N)=O)c3[nH]2)C(F)(F)F)n1 587094238 NQCPNIRQUQWXNA-AWEZNQCLSA-N 370.356 2.419 0 1 FEAF Cc1cc(C)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 586941301 JMNJMZDFDIIDMJ-UHFFFAOYSA-N 373.434 2.429 0 1 FEAF Cc1cc2c(cc1O)[C@](C)(c1ccc(CC(=O)O)s1)N[C@H](C(=O)O)C2 963469061 JRJLEQXQJMDEOY-SCLBCKFNSA-N 361.419 2.252 0 1 FEAF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)NC2=O)cc1 13681623 GSUFQYZXJKYFNJ-UHFFFAOYSA-N 369.373 2.288 0 1 FEAF C[C@H]1CC[C@H]2C(=O)NC[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 169356135 CBJAXLVQLSPOSC-PUPMMZHASA-N 353.260 2.081 0 1 FEAF CC(C)[C@H](CO)NCc1nc(-c2ccnc(N3CCOCC3)c2)ccc1F 204412751 LRVOTFSZTLNGNU-IBGZPJMESA-N 374.460 2.226 0 1 FEAF c1ccc(CN(Cc2ccccn2)c2cc(N3CCOCC3)ncn2)nc1 1857612030 UIUGVHDYDGPCNZ-UHFFFAOYSA-N 362.437 2.310 0 1 FEAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@@H](O)CO)cc1 776277 HTNKEBWLAJESJB-CYBMUJFWSA-N 362.426 2.121 0 1 FEAF CC(C)CS(=O)(=O)N[C@@H](C)c1onc(-c2cccnc2)c1C(=O)O 2356299987 RLWUGDNYZPIZFB-JTQLQIEISA-N 353.400 2.071 0 1 FEAF CC[C@H](C)C=C(C)C=Cc1cc2c(cn1)C(=O)[C@@](C)(O)[C@]2(O)C(=O)OC 2356348987 OCPNGNBXODBFSW-NXXCRTJYSA-N 359.422 2.395 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@]21C 100829358 WKMBTXJFBQEZHO-SADWPOFQSA-N 362.422 2.452 0 1 FEAF endogenous,in-man O=C1COC2(CCN(C[C@@H](O)c3ccccc3)CC2)[C@H](c2ccccc2)N1 27982805 POAMEVTUHXXPLS-CTNGQTDRSA-N 366.461 2.442 0 1 FEAF O=S(=O)(c1cccc(F)c1)n1cc2c3c(cccc31)N1CCNC[C@H]1C2 118362046 FRDVOZMDNOYFJK-OAHLLOKOSA-N 371.437 2.352 0 1 FEAF O=S(=O)(CCCN1CCOCC1)Cc1ccc(Br)cc1 103249150 VJSJUTAODCKPMI-UHFFFAOYSA-N 362.289 2.086 0 1 FEAF Cc1cccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2ccccc2)c1 61903077 ACHYRSSSMZMYFI-IBGZPJMESA-N 372.446 2.105 0 3 FEAF O[C@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)N=C2C=C(c3ccccc3)NN21 104008193 MHFRIPZLAUONFE-NEPJUHHUSA-N 367.249 2.152 0 3 FEAF C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCCNCC4)cc3n21 27526131 BGFBFVIIKMMZEC-VIFPVBQESA-N 363.414 2.263 0 1 FEAF O=CN1c2ccccc2[C@]23CCN4CCC[C@@]5(CC[C@@]12[C@H](C(=O)O)C5)[C@@H]43 2356655125 YJKNDUBIWGQYFI-YSCIFQABSA-N 352.434 2.392 0 1 FEAF C[C@]1(O)C[C@@]23CC(=O)[C@H]4[C@@]56CCC[C@@]4(C)CN(CCO)[C@@H]5[C@H]2C[C@H]1C[C@@H]36 2356776243 VECNWVPULQDULP-VWWVYEJXSA-N 359.510 2.226 0 1 FEAF C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cc(N)ccc1Cl 219134329 KMIYBDRPLPSNJU-JTQLQIEISA-N 369.816 2.015 0 1 FEAF C[C@H]1CC[C@@]2(C)[C@H](C[C@H](O)[C@H](O)[C@]2(O)CO)[C@@]1(C)CCc1ccoc1 36378729 HPTJKMDEFYCHJK-OSWKXKNPSA-N 352.471 2.120 0 1 FEAF COC1=C[C@@H]2C3=C([C@H]2C1=O)[C@H](N(C)C)CCc1cc2c(c(OC)c13)OCO2 13310555 BGAYOJPUUZKBLT-QFSBIZTOSA-N 369.417 2.413 0 1 FEAF biogenic NC(=O)c1cc([C@@H](O)CO)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 146578380 XYLBRBNTXPIXCN-KRWDZBQOSA-N 369.352 2.200 0 1 FEAF O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3c1OCO3)[C@@H]2O 85953901 SAALZFZQLFTOGM-YJBOKZPZSA-N 366.325 2.176 0 1 FEAF biogenic CC(C)NC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c2cnn(C)c2n1 299850273 WMDCSYKNKNFQSJ-UHFFFAOYSA-N 372.450 2.177 0 1 FEAF NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1O[C@@H]1CCCO[C@H]12 299838635 QSFQLALULVEZLV-MDZRGWNJSA-N 355.369 2.368 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 587154878 UKXIPLFUEGDCRM-KZULUSFZSA-N 374.441 2.294 0 1 FEAF NS(=O)(=O)Cc1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 586931351 RNZZYHQQEFHDHK-UHFFFAOYSA-N 367.228 2.176 0 1 FEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(Cl)cnc(Cl)c2[nH]1 587204343 QCSWFWVNLBBULF-QMMMGPOBSA-N 358.229 2.344 0 1 FEAF c1ncc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2n1 586970339 XAXILALIAAQJGK-UHFFFAOYSA-N 354.351 2.424 0 1 FEAF CC(=O)N1C=C([C@@H]2[C@H]3C[C@H](CN4CC[C@H](O)C[C@H]34)[C@@H]3CCCCN23)CCC1 685935390 KXTMZZFZSKVPPU-HZQJRTDASA-N 373.541 2.211 0 1 FEAF biogenic,in-vitro Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1C[C@@H](N)C1 1772569945 WRMDZFXPBIHCOL-TXEJJXNPSA-N 362.437 2.121 0 1 FEAF CCN(CCOc1ccc(C(=N)N)cc1)CCOc1ccc(C(=N)N)cc1 1857537357 NMLXJYHOBCSKIX-UHFFFAOYSA-N 369.469 2.034 0 1 FEAF O=C(NC[C@@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@H]1O)Nc1ccccc1 2356287229 FMBCXEFOFCZZKY-OWCLPIDISA-N 369.412 2.104 0 1 FEAF COc1ccccc1CN[C@H]1CCCN(CC(N)=O)[C@H]1c1ccccc1 26262719 HXKICKCHXGVWDV-RXVVDRJESA-N 353.466 2.476 0 1 FEAF CC(C)N(C[C@@H](C)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1)c1ccccc1 27733625 WXHZNQCQBSNBSE-FOIQADDNSA-N 371.481 2.418 0 1 FEAF COC(=O)c1ccc(CC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O 29232121 DMCBUCDIAPMCMI-UHFFFAOYSA-N 358.346 2.445 0 1 FEAF CO[C@]12CC[C@]3(C)[C@H](CC[C@@]45C[C@@H](CC[C@H]43)[C@@](O)(CO)C5)C1=CC(=O)N2 2356543304 KTNZRKKLKVMLHB-UYLSDMCMSA-N 361.482 2.125 0 1 FEAF CC=C(C)[C@H](O)[C@H](C)C=C[C@H](O)[C@H](C)[C@@H](O)C[C@@H]1CC(OC)=CC(=O)O1 2356693151 ZSCSHJBZNPXUQJ-ZZUMGOGNSA-N 368.470 2.100 0 1 FEAF Cc1ccc(S(=O)(=O)N2N=Cc3cc(Cl)c(Cl)cc3B2O)cc1 195065454 ICXGRBHTUQXTNH-UHFFFAOYSA-N 369.038 2.028 0 1 FEAF CN(C)C(C)(C)COC(=O)CNC(=O)c1coc(-c2cccs2)n1 82084962 WQMRUGPTEIRKLZ-UHFFFAOYSA-N 351.428 2.016 0 1 FEAF Oc1nc(O)c2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2n1 587167776 DGBGTIABANOGBD-UHFFFAOYSA-N 353.317 2.028 0 1 FEAF CC1=NC(=S)N[C@@H](c2c(C)cc(C)cc2C)[C@@H]1C(=O)N1CCOCC1 169691256 OFQCIWCDSOMFTB-SJORKVTESA-N 359.495 2.477 0 1 FEAF COCCN1Cc2cccc(C(=O)Nc3nc4ccccc4n3C)c2C1=O 205421548 OEISATRHOZQMFG-UHFFFAOYSA-N 364.405 2.428 0 1 FEAF COCCOc1cc2c(cc1OC)C[C@@H](C)n1cc(C(=O)O)c(=O)cc1-2 1857774966 OBNASJZWTSGTRH-LLVKDONJSA-N 359.378 2.364 0 1 FEAF CS(=O)(=O)c1cccc(-c2cn3nc(-c4ccco4)nc3c(N)n2)c1 28524482 OMSIMAMRRSQWSL-UHFFFAOYSA-N 355.379 2.037 0 1 FEAF CCC(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 2356287294 GHONXTHBNDXNCL-RYRKJORJSA-N 362.401 2.458 0 1 FEAF Cn1cncc1C1=C(c2c[nH]c3cc(Br)ccc23)C(=O)NC1=O 13452978 UGQSNWJOZBAEMD-UHFFFAOYSA-N 371.194 2.231 0 1 FEAF biogenic Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c(=O)c2)nc1 222631543 DOVXCKDVVZGROT-CVEARBPZSA-N 363.421 2.432 0 1 FEAF CCOC(=O)c1cnn(C[C@H](C)O)c1NC(=O)Nc1ccccc1F 40874700 QSQCNCCIQLVDBL-JTQLQIEISA-N 350.350 2.224 0 1 FEAF O=C1C[C@]23CCN(CC4CC4)[C@H]4C[C@H](O)[C@H]1C[C@@]42Cc1ccc(O)cc13 195392345 LOXFETCCXNYJIL-ZGFYZEPBSA-N 353.462 2.401 0 1 FEAF NS(=O)(=O)c1ccc(NN2C(=O)CS[C@@H]2c2ccc(F)cc2)cc1 84731394 BSVYAVGKELKMSW-OAHLLOKOSA-N 367.427 2.074 0 1 FEAF CN[C@@H](C)C(=O)N[C@@H]1CSc2ccccc2N(Cc2ccccc2)C1=O 143879350 LHUKROPHQRPJTR-GOEBONIOSA-N 369.490 2.418 0 1 FEAF CCN(CC)S(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587562491 BWPVEICTOZVFTH-UHFFFAOYSA-N 374.422 2.134 0 1 FEAF CCOC(=O)CNc1ccc(-c2nc3cnc(C(=O)OC)cc3[nH]2)cc1 587224491 IZSKPFDBRWKOBH-UHFFFAOYSA-N 354.366 2.387 0 1 FEAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O 587448935 NODSCTNIQNEAFN-IFXJQAMLSA-N 373.430 2.314 0 1 FEAF COc1ccccc1C(=O)N1CCN(c2nc3cc(N)ccc3o2)CC1 1857576981 LDRPVFAWHGHJGP-UHFFFAOYSA-N 352.394 2.381 0 1 FEAF CCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3S2(=O)=O)cc1 1623197 FMLACWODVBIRRF-INIZCTEOSA-N 374.418 2.209 0 1 FEAF CN1CCN(C(=O)C[C@H](N)Cc2ccccc2F)[C@H](Cc2ccccc2)C1 28385250 GQTXDRWMXFQZPI-WOJBJXKFSA-N 369.484 2.471 0 1 FEAF CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@@H](O)Cc3c(ccc4c3OCO4)[C@H]21 2356666289 VINIVXVRXVXNTR-BMGDILEWSA-N 353.374 2.331 0 1 FEAF O=C(Nc1ccccc1)N1C[C@H]2COCCN2C2(C1)CN(C1CCCC1)C2 2356761903 LLGWPCDZPKIIOH-IBGZPJMESA-N 370.497 2.232 0 1 FEAF C[C@]1(O)C[C@@]23CC(=O)[C@@H]4[C@@]56CCC[C@@]4(C)CN(CCO)[C@H]5[C@H]2C[C@H]1C[C@@H]36 2356776234 VECNWVPULQDULP-PDGPCXIBSA-N 359.510 2.226 0 1 FEAF CC(C)CN1C(=S)N(CC2CCCCC2)[C@@H]2[C@H]3OC(=O)[C@@H](C[C@H]3O)[C@H]21 2356856729 SDBXXEXESKKOIF-BIVLZKPYSA-N 366.527 2.169 0 1 FEAF NCCN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 22445049 OSRMBLYTVLCJBF-HOTGVXAUSA-N 352.390 2.299 0 1 FEAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(N)ncnc2[nH]1 587114204 XMOIMCOCTYDVSH-HNNXBMFYSA-N 364.331 2.354 0 1 FEAF CC[C@]1(C)C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 586892155 URDUCCKZNVMTEY-MGPUTAFESA-N 356.470 2.217 0 1 FEAF O=C(NCC1(O)CCCCC1)[C@H]1CCC(=O)N(CCc2ccccc2)C1 12301169 LCCHJNXCPAHEPT-SFHVURJKSA-N 358.482 2.279 0 3 FEAF O=C1[C@@H]2CCCN2C(=O)N1CN1CCN(c2cccc3ccccc23)CC1 13489205 HNGJSVQCJBLLAQ-IBGZPJMESA-N 364.449 2.346 0 1 FEAF Cn1c(C(=O)N2CCN(CCOc3cccnc3)CC2)cc2ccccc21 205941906 STFWZQBPNBNMOE-UHFFFAOYSA-N 364.449 2.410 0 1 FEAF CCOC(=O)Cc1nc2nc(N(C)Cc3ccccc3)ccc2[nH]c1=O 766915 TWDWPKYBPGHVSC-UHFFFAOYSA-N 352.394 2.060 0 1 FEAF NS(=O)(=O)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 4195116 KFOYSVYZNBISRF-UHFFFAOYSA-N 358.467 2.383 0 3 FEAF COc1ccc(CCC(=O)c2c(O)cc(OCC(=O)O)cc2O)cc1O 6018520 HHVUOGRDZDYFTL-UHFFFAOYSA-N 362.334 2.091 0 1 FEAF OC[C@@H]1[C@H](O)C[C@@H](NCc2ccccc2F)[C@@H]1Cc1ccnc(C2CC2)n1 2356288643 ILCBFGPWRHSWIA-PIKOESSRSA-N 371.456 2.183 0 1 FEAF O=C1CN(C(=O)C2CCCCC2)C[C@@H](O)CN1Cc1ccc(Cl)cc1 105848480 WVZJTIRCVPNUPX-KRWDZBQOSA-N 364.873 2.452 0 1 FEAF C[C@H]1[C@H](O)CC[C@H]2C[C@H]([C@H](O)CCCCCC[C@@H](O)CC(=O)O)C=CN21 103573522 LTVJDZIDZGZAIH-PKRLLGJHSA-N 369.502 2.271 0 1 FEAF biogenic,in-vitro CCNCC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27418383 HOBSREIQOYPKMR-UHFFFAOYSA-N 359.401 2.219 0 1 FEAF CC(C)C(=O)O[C@@H]1C[C@]23OC(=O)C[C@]2(C[C@@]2(O)OC[C@@]3(C)[C@@H]2C)[C@@H]1C 2356788550 XFNNCCSGHVEVIE-HYORJFCFSA-N 352.427 2.031 0 1 FEAF CC(C)(C)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 72177413 RFJRKBINAXZRHQ-OWCLPIDISA-N 355.438 2.064 0 1 FEAF NCCCNc1ncc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1 40914096 RYVHFGOIFKGQFR-UHFFFAOYSA-N 354.336 2.099 0 1 FEAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2=O)cc1O 96928918 VEARKAVNDZTULA-UHFFFAOYSA-N 370.357 2.357 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cnn(C)c2)N1 587761303 AIQAOJTYAZIPSG-VXJOIVPMSA-N 368.206 2.184 0 1 FEAF C[C@]1(c2c[nH]c(=O)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585391 CZZOGOFMWMFLDH-VQIMIIECSA-N 350.330 2.353 0 1 FEAF Cc1ccnc2[nH]c(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)nc12 587203431 PQJMGTZGYCBDSK-CYBMUJFWSA-N 354.366 2.188 0 1 FEAF COc1cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(Cl)c1O 587045877 IAUZNIQHTLKSID-UHFFFAOYSA-N 353.787 2.245 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(CCO)c2)N1 587762423 YSADHNYKDBYLAJ-VFZGTOFNSA-N 354.223 2.401 0 1 FEAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@@H]1c1cnn(C)c1 1857632332 MNUSMSAUSOJLNZ-CQSZACIVSA-N 357.439 2.291 0 1 FEAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)N2CCOCC2)C1 8624204 SVDSXSSDNCSVPR-IAGOWNOFSA-N 367.453 2.338 0 1 FEAF biogenic Cc1nc(N)nc2c1cc(Br)c(=O)n2C1CCC(=O)CC1 117700719 CHCLWNGLKZUDQB-UHFFFAOYSA-N 351.204 2.129 0 1 FEAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2c(C)noc2C)CC[C@]1(C)O 2356477261 YXVWHFODCHPPMT-AQNXPRMDSA-N 357.454 2.494 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O 2356504271 JRNZEGAFLBTZDT-KCTOORRSSA-N 372.502 2.238 0 1 FEAF O=C(NCc1ccccc1)[C@@H]1COC(=O)[C@H](Cc2ccc(Cl)cc2)N1 34892341 AGEYIXHVDFWGDN-IRXDYDNUSA-N 358.825 2.083 0 1 FEAF CCOCCCOC(=O)c1cc(CO)cc(C(=O)OCCCOCC)c1 40834479 XTDVZPLNKCJTIE-UHFFFAOYSA-N 368.426 2.346 0 1 FEAF Cc1nn2c(-c3cccc(-c4nnc5sc(C)nn45)n3)nnc2s1 96930289 QMVIMLVYXGXTCI-UHFFFAOYSA-N 355.412 2.031 0 1 FEAF O=C(NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1CC1CC1)c1cccnc1 95895507 IIUQNEIXKUWLNW-ZCNNSNEGSA-N 351.450 2.050 0 1 FEAF C=C1C[C@H](O)[C@@H]2[C@H](CN3CCCCCC3)C(=O)O[C@@H]2[C@@H]2[C@@H](C)C(=O)C[C@@H]12 299884434 TUNAZEXGIWWQBP-WMQBWSBWSA-N 361.482 2.182 0 1 FEAF COc1ccc(CN2C[C@H]3OCCN(Cc4cccnc4)C[C@@H]3C2)cc1 299843455 RTWLLPCHTOJXKY-TZIWHRDSSA-N 353.466 2.423 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c(=O)cn2)N1 587774187 SZZJQZYBLYJNAS-VXJOIVPMSA-N 352.207 2.469 0 1 FEAF COc1ccc(OC)c([C@@H]2CCc3nc4nc(N)nc(N)c4cc3C2)c1 5800970 QJVOFYKQGZCPMC-SNVBAGLBSA-N 351.410 2.479 0 1 FEAF CC(C)CN1CCc2nc(N3CCN(c4ccccn4)CC3)ncc2C1 15779629 ACZRTNOZUFPTSR-UHFFFAOYSA-N 352.486 2.212 0 1 FEAF O[C@@](Cc1cn(C2CCCC2)nn1)(Cn1cncn1)c1ccc(F)cc1F 1857617206 WNJPDZARABONTG-SFHVURJKSA-N 374.395 2.393 0 1 FEAF CO[C@@H]1C[C@@H]2[C@H](CC(=O)c3ccc(O)cc3)C[C@](C)(O)[C@H]2[C@H](OC)O1 2356399205 PVROCOPQOJHZLO-UMJYYYIQSA-N 350.411 2.334 0 1 FEAF CNC(=N)N1C=C[C@@H]2CC[C@@H]3[C@H](O)C(C(=O)O)=C4C[C@H]5CC[C@H](C)[C@]43[C@@]25C1 2356357535 SYMFDMQOTJVAQF-RNYRODGHSA-N 371.481 2.174 0 1 FEAF CCC(CC)c1nn2c(=O)cc(CSc3n[nH]c(N)n3)nc2s1 7007175 GJTHLCKDZSDWSC-UHFFFAOYSA-N 351.461 2.047 0 1 FEAF CC=C1CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@]2(O)C[C@H]1[C@]3(OC)C(=O)OC 2356784906 QOSKOZFUYJBOHK-YDPGBSGYSA-N 368.433 2.078 0 1 FEAF NC(=O)c1nnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)o1 49785258 ZERZCVLKYUFIRW-UHFFFAOYSA-N 356.304 2.235 0 1 FEAF O=C1COc2c(cc(O)cc2[C@H](O)CNCCCc2ccc(F)cc2)N1 1911577558 VCXJSCFXRBWJQH-QGZVFWFLSA-N 360.385 2.118 0 1 FEAF CC[C@H](C)[C@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 26771623 STNXFILTVQCXMN-BTDLBPIBSA-N 361.394 2.355 0 1 FEAF biogenic CN1CCc2cc3c(cc2[C@]12Cc1ccc4c(c1C2=O)OCO4)OCO3 35465064 GGQGUBWFVKJOER-FQEVSTJZSA-N 351.358 2.266 0 1 FEAF biogenic CC1=NNC(=O)[C@H]1[C@H](c1ccc(Cl)cc1Cl)[C@H]1C(=O)NN=C1C 299811165 ILZDKBKYGIHZCG-ITGUQSILSA-N 353.209 2.321 0 1 FEAF COc1n[nH]c2c(F)c(NC(=O)N[C@H](C)c3ccccc3)nc(CO)c12 1772658175 XFDZTGNMOFENEU-SECBINFHSA-N 359.361 2.481 0 1 FEAF CCCc1ccc2oc(C(=O)N3CCNC(=O)[C@H]3CC(=O)OC)c(C)c2c1 15075257 HDTWKCVCSRSVIO-OAHLLOKOSA-N 372.421 2.197 0 3 FEAF COCCn1cc(-c2cnc(N)c(C(=O)Nc3ccnc(C)c3)c2)cn1 150158092 JNYKPUGUQRHMIP-UHFFFAOYSA-N 352.398 2.129 0 1 FEAF CC(C)NC(=O)c1nnc2n1CCN(C(=O)c1ccc3sccc3c1)C2 205218159 YXTYSGLGSYDYDV-UHFFFAOYSA-N 369.450 2.287 0 3 FEAF COC(=O)[C@]1(O)C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]43 2356437668 BAYILHHYJWNJCS-GHRYLNIYSA-N 354.450 2.045 0 1 FEAF CC(C)NC(=O)N1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1 3955874 LDRNMLBLFWOZCR-SFHVURJKSA-N 365.499 2.281 0 1 FEAF CC(C)[C@H]1/C=C/[C@@](C)(O)CC[C@@H](O)[C@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 60288623 ZXUDZQNLOBXDTI-YXTBFZDZSA-N 352.471 2.494 0 1 FEAF c1ccc([C@H]2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1 28883629 XEZZJFIWRQIMPS-LJQANCHMSA-N 353.466 2.418 0 1 FEAF CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncncc23)c1F 113489322 KUMWEOKYYMWAOB-UHFFFAOYSA-N 362.386 2.480 0 1 FEAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cnnc5ccccc45)C[C@H]3C2)n1 116826796 DLJWHPNJVKLNBP-HOTGVXAUSA-N 374.448 2.245 0 1 FEAF Cc1cccc2c1c(Cc1ccccc1)cn2[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 66101323 XXGRAVQYCSJPMP-GFOJFJKKSA-N 353.418 2.152 0 1 FEAF C[C@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@H]2CCN(C)C[C@@H]21 73164959 BVICSNQLCGMLKS-LALPHHSUSA-N 362.499 2.053 0 1 FEAF C[C@@H]1CC[C@@]2(C)[C@H](C[C@H](O)[C@H](O)[C@]2(O)CO)[C@@]1(C)CCc1ccoc1 36378728 HPTJKMDEFYCHJK-NSKBVBDPSA-N 352.471 2.120 0 1 FEAF Nc1cnc2ccn(S(=O)(=O)c3c(Cl)nc4sccn34)c2c1 43063414 FASSZBVWSHEOJB-UHFFFAOYSA-N 353.816 2.218 0 1 FEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1cccc2c1CCCC2 195343568 URKJSKVDJFPMFH-QZCPTFHJSA-N 350.418 2.311 0 1 FEAF C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 95675525 PHXITHQOKRDDQC-QZHFEQFPSA-N 374.481 2.079 0 1 FEAF Oc1nc(S)nc2[nH]c([C@H](O)c3ccc(Br)cc3)nc12 586996226 TVWQXUXYTOIDDV-MRVPVSSYSA-N 353.201 2.191 0 1 FEAF COc1ccc([C@@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1OC 587559441 ICZKZVHUOVJJBG-NSHDSACASA-N 367.361 2.100 0 1 FEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OCCO3 587226463 ZMHGMHBZWVTWCL-LBPRGKRZSA-N 353.378 2.418 0 1 FEAF CCOc1n[nH]c(-c2nc3ccc(C(=O)OC)nc3[nH]2)c1Br 586979546 FQEYYDVBRQUESC-UHFFFAOYSA-N 366.175 2.296 0 1 FEAF CC1=CC[C@H]([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)[C@H](C)C1 963217501 GPCYYTYLNOYOOF-FYZVCVECSA-N 354.454 2.201 0 1 FEAF NC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)[nH]c21 5981487 AIOAPRDQNULXOA-UHFFFAOYSA-N 353.407 2.047 0 1 FEAF Oc1cc(Cc2ccccc2Cl)nn1-c1cc(-c2nnn[nH]2)ccn1 146799310 JPLBXAXASCZHGC-UHFFFAOYSA-N 353.773 2.397 0 1 FEAF Cc1nc2c(N3CCOCC3)nccn2c1NC(=O)Cc1ccccc1 1772628319 AZMSUDWYBSKFHC-UHFFFAOYSA-N 351.410 2.056 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCCNC4)ncc23)ccn1 205435832 BMTHXANNSCJYEN-ZDUSSCGKSA-N 351.414 2.202 0 1 FEAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@H]2[C@H]1C 2356322145 ZFKXNBKKSJPZIT-TZWYWQLISA-N 352.519 2.475 0 1 FEAF COc1cccc(CNC[C@H](O)COc2ccc3[nH]c(=O)ccc3c2)c1 3644425 SMFUDVJKOUBSBI-INIZCTEOSA-N 354.406 2.066 0 1 FEAF investigational OC[C@H]1O[C@@H](n2cnc3c(SCc4ccccc4)nccc32)C[C@@H]1O 29218312 OFQWBDUBHINWJT-ARFHVFGLSA-N 357.435 2.364 0 1 FEAF CNC(=O)[C@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)O)C(C)(C)C 219866767 RPEMCHYEPZNXLW-RDJZCZTQSA-N 362.470 2.377 0 1 FEAF O=C(NCc1cccs1)[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)OCO2 40829657 IQGHPVWVMXPGEW-HNNXBMFYSA-N 372.446 2.327 0 1 FEAF CC(C)[C@H](CO)Nc1nc(Nc2ccncn2)c2ncn(C(C)C)c2n1 95598054 VKKIPHDPLVDNSB-LBPRGKRZSA-N 356.434 2.370 0 1 FEAF CCc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CN(C)CC3 96174434 SZPKMUDRASXQKI-UHFFFAOYSA-N 356.451 2.112 0 1 FEAF C/C=C(\C)C(=O)O[C@@H]1C/C(C)=C/C[C@H](O)[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]21 523041686 OALKRCUXSIESFZ-NSSNAMCGSA-N 364.438 2.301 0 1 FEAF biogenic Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@@H]2OC(=O)[C@H](O)[C@H]2O)cc1C 253776635 ASVMLLDTIZTDOP-BQJUDKOJSA-N 370.445 2.060 0 3 FEAF COc1cc2c3c(c1)O[C@@H](CCCNC(=O)C1CCOCC1)[C@@H](C2)C3=O 587426794 BBXCVHAQUYMTFI-CVEARBPZSA-N 359.422 2.134 0 1 FEAF O=S(=O)(c1ccc2nc(-c3occ4c3CCC4)[nH]c2c1)N1CCOCC1 586904767 AUYAEFQCCGVJRQ-UHFFFAOYSA-N 373.434 2.333 0 1 FEAF COc1cc2c3c(c1)O[C@](C)(c1cc(C(=O)O)c(O)nc1C)[C@@H](C2)C3=O 587437216 XTNOHXWLBXNKGZ-ORAYPTAESA-N 355.346 2.465 0 1 FEAF CCOC(=O)[C@@](C)(OC(C)=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438496 GCQDAIGLRWDBLW-UPRAQXHNSA-N 362.378 2.086 0 1 FEAF Cn1ccc(C(=O)C[C@]2(C(F)(F)F)c3ccsc3CCN2C(N)=O)n1 962713784 PIHDTIVNOARSRU-CQSZACIVSA-N 372.372 2.449 0 1 FEAF COc1cc(O)c2c(c1)/C=C\C[C@H](O)[C@H](O)/C=C(\F)[C@@H](C)[C@H](C)NC2=O 169335678 JRHABWKYLHCXIO-JYCXKEEBSA-N 365.401 2.147 0 1 FEAF CNC(=O)[C@@H](CC1CCC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 207415473 MPZLBHNPCIQCKS-OAHLLOKOSA-N 372.469 2.177 0 1 FEAF Cc1cccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 4273363 JAVGVZZSDSKLCZ-CYBMUJFWSA-N 368.393 2.088 0 3 FEAF CCCCCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)N(C)C4=O)cc1 101635020 RSXRKAGCCDDONS-FJIDUMEYSA-N 368.433 2.388 0 1 FEAF O=C(O)C[C@@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc(C(F)(F)F)cc1 29407148 MVKULQRBNOLNKM-MRVPVSSYSA-N 372.221 2.166 0 1 FEAF CCCNC(=O)[C@]1(C)CCN(Cc2noc(-c3ccccc3OC)n2)C1 61906783 OJLIGOSHDDFQKL-LJQANCHMSA-N 358.442 2.483 0 3 FEAF CCC(=O)OC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC)C(C)C 2356326743 YYPQWZQXPTVJCT-KXBFYZLASA-N 359.470 2.392 0 1 FEAF CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C[S@@](=O)CC(=O)N(C)C)C1 36271484 MHTHGYXELORNEW-UBMNLSNXSA-N 356.919 2.212 0 1 FEAF CO[C@H](C)c1cccc2c1CCN1C(=O)CN=C(c3ccn(C)n3)C=C21 149200132 AXDXFTQUQRRHCN-CYBMUJFWSA-N 350.422 2.356 0 1 FEAF C=CCNC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)O[C@@H]3CC[C@@H]2[C@]1(C)CO 43554354 BBVFGRRFXXASRT-IHRPUDPBSA-N 351.443 2.408 0 1 FEAF biogenic Nc1ncnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 587016772 DFGFNDMGTBIOMO-UHFFFAOYSA-N 366.406 2.421 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CCN(S(=O)(=O)C3CC3)CC1)O2 587407513 AHAKISBCVQBZFB-QGZVFWFLSA-N 364.467 2.115 0 1 FEAF O=C1COc2ccccc2N1CC(=O)n1ncc2ccc(Cl)cc2c1=O 587655197 VWVASPDORLXSSB-UHFFFAOYSA-N 369.764 2.116 0 1 FEAF COc1cc(OC)c2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2c1 586935453 HGTZCTMTLJGKFQ-UHFFFAOYSA-N 364.427 2.262 0 1 FEAF Cc1c(I)cnn1[C@@H](C)c1nc2c(N)ccnc2[nH]1 587182792 SJMUATCIJXBJOC-ZETCQYMHSA-N 368.182 2.259 0 1 FEAF O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C/c1cc[nH]n1 1772586266 NJYPQWMSGWLSMJ-DPWKNNTCSA-N 374.400 2.366 0 1 FEAF O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1C[C@H]1CCCO1 15072146 HFURPYIFYXOKKC-SJLPKXTDSA-N 350.434 2.354 0 1 FEAF CC(C)(C)C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 2455721 PCZPGLVXCKGYFY-UHFFFAOYSA-N 356.463 2.137 0 1 FEAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](OC(=O)C[C@@H](C)CO)C1 2356455434 TZWLJFAUVXXQDV-ZGDBMJCWSA-N 366.454 2.143 0 1 FEAF OC[C@@H]1[C@H](O)C[C@@H](NCc2cccc(F)c2)[C@@H]1Cc1ccnc(C2CC2)n1 2356288959 NHEHVGGNMCBRAG-IYWMVGAKSA-N 371.456 2.183 0 1 FEAF COc1cccc(CN2C[C@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)n1 2356317541 AGPPDDDNGFLSRD-DZGCQCFKSA-N 357.389 2.101 0 1 FEAF CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)=O)cc3)nc2n(CCC)c1=O 29317830 HVKYSUWEHGWFJB-UHFFFAOYSA-N 370.409 2.299 0 1 FEAF CCCNC(=O)[C@]1(C)CCCN(CC(=O)c2ccc3c(c2)OCCO3)C1 61904098 ZYESTJWTUDAGTC-HXUWFJFHSA-N 360.454 2.269 0 3 FEAF CCOC(=O)[C@H]1CCCN(C(=O)Cc2nc(-c3ccc(OC)cc3)no2)C1 20921446 YZNBGCSBCQLERL-AWEZNQCLSA-N 373.409 2.089 0 1 FEAF N=C(N)c1ccc(COc2ccc3c(c2)CCN(CCC(=O)O)C3=O)cc1 26568732 OEBXTGVVRVDIKC-UHFFFAOYSA-N 367.405 2.023 0 1 FEAF Cn1ccnc1CN1CC[C@](C)(O)[C@@H](NC(=O)C2CC2)[C@H]1c1ccccc1 2356605047 QCNWFZFUUPDGMP-DYXWJJEUSA-N 368.481 2.013 0 1 FEAF CCN(CC)C(=O)[C@H]1CCC[C@@H](NC(=O)c2ccccc2)CN(C)C(=O)C1 2356669737 LTGDFRQNOPOHRS-ZWKOTPCHSA-N 373.497 2.302 0 1 FEAF COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2ccc(O)c(O)c2)cc(O)c1O 14646670 DQYAPSICKNYXBG-STQMWFEESA-N 360.362 2.092 0 1 FEAF biogenic CC(C)(C)NC[C@H](O)COc1ccc(Cl)cc1C1=NNC(=O)CC1 45321841 JJPCDGXEYHIHSU-LBPRGKRZSA-N 353.850 2.082 0 1 FEAF C/C=C1/CN(C=O)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC 45495915 NHUKMNGLSAXGDK-HROPKPTCSA-N 366.417 2.489 0 1 FEAF CC[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82208058 YKPXYGQRYDXXKI-HNNXBMFYSA-N 358.417 2.223 0 1 FEAF COc1ccc(-c2cc(-c3ccc(S(N)(=O)=O)cc3)cnc2N)cn1 95574569 NJIOVKRXKPMTMJ-UHFFFAOYSA-N 356.407 2.049 0 1 FEAF COc1cc(N)c(C2=NN(C(=O)Cc3ccccc3)CC2)c(OC)c1OC 96907960 YVUVRRXCAZLESA-UHFFFAOYSA-N 369.421 2.474 0 1 FEAF O=C1N[C@H]2CCN(C(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 25412484 QRISHAVBCQYEDZ-JKSUJKDBSA-N 353.353 2.165 0 1 FEAF biogenic C=CS(=O)(=O)N(C)CCC(=O)Nc1ccc(OC(F)(F)F)cc1 618017528 MJJCWFUJWJZWDL-UHFFFAOYSA-N 352.334 2.319 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)nc2O)N1 587776985 ZWEOQBYOKOJAAY-INWYIAFRSA-N 354.179 2.413 0 1 FEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN1CCO[C@H]2C1 587586400 CAWZZLYZNABBGK-SQGPQFPESA-N 353.374 2.197 0 1 FEAF NS(=O)(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 587092108 MNNYDFQGXNOHSI-UHFFFAOYSA-N 360.317 2.360 0 1 FEAF NS(=O)(=O)c1ccc(CCc2nc3c(F)cnc(Cl)c3[nH]2)cc1 586929206 CIYHIGQFRYZUIX-UHFFFAOYSA-N 354.794 2.183 0 1 FEAF CCOC(=O)C(=O)C[C@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587394180 REURYIFUERJSKT-FQEVSTJZSA-N 368.389 2.355 0 1 FEAF Cc1cccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 587181892 HAJTXOHMYUIHFP-UHFFFAOYSA-N 368.134 2.344 0 1 FEAF CS(=O)(=O)N1CCC[C@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1 587874856 DNRLUHZBCGWILG-JTQLQIEISA-N 365.386 2.107 0 1 FEAF CS(=O)(=O)c1ccc(C2=C3c4ccccc4CC[C@@]3(O)OC2=O)cc1 13489698 GLPCILHGXWHENJ-LJQANCHMSA-N 356.399 2.193 0 1 FEAF CN(C)[C@@H]1CCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1 19638488 NUMYRJQRQRIYQQ-MRXNPFEDSA-N 368.547 2.003 0 1 FEAF O=C1C[C@H](c2ccccc2)C(=O)N1CCc1ccc(N2C(=O)C=CC2=O)cc1 169332921 UUPDSKFPHXZFJJ-GOSISDBHSA-N 374.396 2.201 0 1 FEAF Cc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1C 169345143 IFNKJDBBBUXFDJ-UHFFFAOYSA-N 374.510 2.395 0 1 FEAF C[C@@H]1CC[C@]2(O)[C@H](C[C@H](O)C2(C)C)C(=O)[C@@]1(C)CCC1=CC(=O)OC1 2356333841 XDKFKXXCPUQUEE-DPSPFGRKSA-N 350.455 2.393 0 1 FEAF CCOC(=O)c1ccc(OCCCNc2nc(N)nc(O)c2N=O)cc1 27737852 JPUBLPOEDCMKQP-UHFFFAOYSA-N 361.358 2.220 0 1 FEAF CCOC(=O)c1cnc(-c2cccs2)nc1N(C)N1C(=O)C=C(C)C1=O 29395238 YZVLYVMNCAIILW-UHFFFAOYSA-N 372.406 2.048 0 1 FEAF COc1cc([C@H]2CN=C(c3ccc4[nH]c(=O)[nH]c4c3)O2)cc(OC)c1OC 27525954 AIJMWGCHASIGJV-MRXNPFEDSA-N 369.377 2.400 0 1 FEAF CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2nc(S)[nH]c(=O)c12 28651009 XIKSGBVGVPJFPP-UHFFFAOYSA-N 357.391 2.459 0 1 FEAF CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](CCO)(CC[C@@H]12)[C@H]43 2356546291 GUUBDRGMQKDEAV-GFOJFJKKSA-N 356.466 2.396 0 1 FEAF COCc1nc(N2CCNCC2)c2c(C)nn(-c3cccc(Cl)c3)c2n1 35990599 QFGXXPFBAYDYNG-UHFFFAOYSA-N 372.860 2.333 0 1 FEAF CC(C)(NC(=O)/C=C/c1ccc(O)cc1)C(=O)NCCc1cccnc1 40895156 DQLNOFBXHUDYCF-JXMROGBWSA-N 353.422 2.054 0 1 FEAF COc1cc(CNc2nc(N3CCN(C)CC3)ncc2C)cc(OC)c1 82202775 MNUFMCQYHKMCQS-UHFFFAOYSA-N 357.458 2.166 0 1 FEAF CC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3ccc(F)cc3)C[C@H]21 95893749 ACJFIJVGUPSGMQ-QRVBRYPASA-N 354.381 2.161 0 1 FEAF COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1ccccc1)[C@@H](C2)C3=O 587451421 XZQWVLKBXHZYQN-HNAYVOBHSA-N 358.415 2.383 0 1 FEAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc(C(N)=O)c2[nH]1 587194120 LYROZGBRSGXIPV-CYBMUJFWSA-N 361.446 2.179 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@@H]32)N1 587793004 JFOLVMJPCFSCFQ-MSMMXJMOSA-N 369.234 2.010 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C=C(CN4CCCCC4)OCC1=O)[C@@H](C2)C3=O 587445383 WHKTURLWFKIBPF-KKSFZXQISA-N 369.417 2.151 0 1 FEAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(N)nc(Cl)c3[nH]2)cc1 586948292 MYKRSGAXUUSIPR-UHFFFAOYSA-N 366.834 2.406 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3nnnn3C)c1)O2 587392037 QLTIRKOJVSFRDR-KRWDZBQOSA-N 365.393 2.386 0 1 FEAF COC(=O)Cn1cc([C@H]2c3nn(C)cc3CCN2C)c(-c2ccccc2)n1 963953639 BOYYPRVPIMSASG-FQEVSTJZSA-N 365.437 2.034 0 1 FEAF N=C(NCCOCCOCCNC(=N)c1cccs1)c1cccs1 13648241 VGNOIJLUMNQJIM-UHFFFAOYSA-N 366.512 2.373 0 1 FEAF CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1COCC1=O 590300 KRNDNQGPEAXVIV-ZWKOTPCHSA-N 368.433 2.068 0 1 FEAF O[C@@H]1[C@@H](NCc2ccccc2Cl)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(Cl)cn1 2356320723 GZIXWZGEJDJDIK-JKJDWNRSSA-N 370.236 2.005 0 1 FEAF NC1=NS(=O)(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)nc21 6582439 JQJYHNXKWPLTOY-UHFFFAOYSA-N 351.391 2.186 0 1 FEAF O=C(NCc1ccncc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 52566064 KMTIYYYSJREOOU-AMBYYYRHSA-N 373.412 2.323 0 1 FEAF Cn1nc(-c2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)ccc1=O 68151793 BDAYYWQLRAMGNO-SFHVURJKSA-N 366.465 2.148 0 1 FEAF CCOc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 72107820 MADGFACBLXWLJC-UHFFFAOYSA-N 362.407 2.383 0 1 FEAF O=S(=O)(CC1=NCCO1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 72118506 QPDFVRWYZZOMGC-RTBURBONSA-N 370.430 2.374 0 1 FEAF Oc1nnc(CN2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)o1 40877564 NHECXIKSXNVVSJ-UHFFFAOYSA-N 368.372 2.037 0 1 FEAF COCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C(C)C 142572045 ZKFBKOBAJYFHIR-UHFFFAOYSA-N 354.414 2.466 0 1 FEAF CC[C@@H]1CN(C(=O)NC2CCCCC2)CC[C@@H]1CC(=O)NCCN(C)C 25432870 KKDVLEITXHMZHM-IAGOWNOFSA-N 366.550 2.445 0 1 FEAF biogenic Nc1[nH]cnc2c(CN3C[C@@H](O)[C@H](CSCc4ccccc4)C3)cnc1-2 253638122 GOJSQVMCDGVZQI-JKSUJKDBSA-N 369.494 2.218 0 1 FEAF C=CS(=O)(=O)N1CCN(C(=S)c2cc(C3CCCCC3)no2)CC1 618020243 QLBCQLOWCKRLAU-UHFFFAOYSA-N 369.512 2.489 0 1 FEAF CCCOC(=O)c1nc(C)c2c(c1N)C(=O)N(Cc1ccccc1)C2=O 653755898 DAROVMILOCDOEN-UHFFFAOYSA-N 353.378 2.335 0 1 FEAF COC(=O)[C@@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587803378 ACFGRSZEQSAFKM-GLEZIHRCSA-N 358.207 2.470 0 1 FEAF CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587398916 JJAZQKOXJSBXMY-FQEVSTJZSA-N 370.405 2.123 0 1 FEAF CCOC(=O)CN(C)c1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587385120 BRNOSPYDCOWEOM-MRXNPFEDSA-N 370.409 2.073 0 1 FEAF CCOC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 71789537 XMHNDDZMOAOQCY-GOSISDBHSA-N 355.390 2.449 0 1 FEAF O=C(Nc1ncnc2c1cnn2CCN1CCCCCC1)C1CCOCC1 145048277 JLLMGLKMXOUBKS-UHFFFAOYSA-N 372.473 2.067 0 1 FEAF CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(=O)oc2ccc(OC)cc12 1772582749 GOJVJANVZULYDB-MRXNPFEDSA-N 374.418 2.158 0 1 FEAF COCCc1ccc(-c2c(C)nc3c(N4CCOCC4)nc(C)cn23)cn1 168327090 ODOFQQLVQUYRLZ-UHFFFAOYSA-N 367.453 2.434 0 1 FEAF Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](N)C5)n4)n[nH]c3cn2)cn1 205256125 UZSKGLPUMSUOBY-CQSZACIVSA-N 374.452 2.348 0 1 FEAF O=C(O)Cc1nn(Cc2nc3ccc(O)cc3s2)c(=O)c2ccccc12 596322 DYHNLYHMADVRCX-UHFFFAOYSA-N 367.386 2.387 0 1 FEAF COc1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)NCCCN)c1C)C(=O)N2 59114306 WFSXNVACVURYIG-GDNBJRDFSA-N 368.437 2.211 0 1 FEAF Nc1nc(CCCCCc2cn(CC(=O)Nc3ccccc3)nn2)c[nH]1 64322729 MCACWDQNMJCLGG-UHFFFAOYSA-N 353.430 2.178 0 1 FEAF CCCCOc1ccc2c(c1)[C@@H](N(C)S(C)(=O)=O)[C@@H](O)C(C)(C)O2 27215992 ICXASNQRNZTLLB-HZPDHXFCSA-N 357.472 2.330 0 1 FEAF O=C(O)/C=C/c1ccc2c(c1)O[C@@H](C(=O)O)[C@@H](c1cc(O)cc(O)c1)O2 73222602 BYYNTQBNEZMCAR-HTYNWGMWSA-N 358.302 2.161 0 1 FEAF O=C(c1ccc(F)cc1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 299843913 ZQGNQMXVMYRYIU-RTBURBONSA-N 355.413 2.336 0 1 FEAF COc1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 587202497 IWYJSFYUTFUIND-INIZCTEOSA-N 369.377 2.494 0 1 FEAF COC(=O)[C@](C)(O)[C@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962717846 QZUOHNAZKYJSGT-UUWFMWQGSA-N 353.459 2.329 0 1 FEAF COc1cc2c(c(OC)c1O)-c1ccc(O)c(=O)cc1[C@H](NC(C)=O)CC2 13434590 VHIVSZXYLQFNPC-CQSZACIVSA-N 371.389 2.266 0 1 FEAF biogenic Cc1ccc(C(c2ccc(C)c(C)c2)[C@@H](O)[C@H]2OC(=O)[C@@H](O)[C@@H]2O)cc1C 17424301 ASVMLLDTIZTDOP-IVAOSVALSA-N 370.445 2.060 0 1 FEAF CNC(=O)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1 1857618425 BYAVDTSETANBQS-UHFFFAOYSA-N 353.348 2.249 0 1 FEAF CC[C@@H](CCc1ccccc1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O 3833965 GLTBEVKCDJQDEE-INDMIFKZSA-N 360.454 2.030 0 1 FEAF CCC(=O)N1[C@H](C(=O)NCc2ccccc2)CSC12CCN(C)CC2 6943424 CGRGIEGBFYZXAD-INIZCTEOSA-N 361.511 2.079 0 1 FEAF CS(=O)(=O)Nc1cncc(-c2ccccc2O[C@@H]2C[C@H]3CNC[C@@H]2C3)c1 58581580 RFLDYHWWEJNDMO-ZUEVXXBESA-N 373.478 2.497 0 1 FEAF COC(=O)C1=C(C)NC(=O)N[C@H]1c1cnc(SC)n1Nc1ccccc1 103170726 BKUDINKFJVQLIK-AWEZNQCLSA-N 373.438 2.281 0 1 FEAF CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccccc4F)c3c2)CC1 64448686 PGWCUSVMUGTCQQ-UHFFFAOYSA-N 374.441 2.287 0 1 FEAF Cc1ccc2c(c1)-c1c(c(C(=O)NCCN3CCOCC3)nn1C)CS2 21049206 QACXFOUSCKYEQT-UHFFFAOYSA-N 372.494 2.063 0 1 FEAF C[C@@H]1OC=C(C(=O)O)[C@@H]2C[C@@H]3N(CC[C@@]34Nc3ccccc3C4=O)C[C@H]12 2356632172 XJBQLDFXLQMHKY-HZMMICNXSA-N 354.406 2.131 0 1 FEAF CC(C)CNC(=O)C(C)(C)n1cc(NC(=O)c2ccc3c(c2)OCO3)cn1 74387758 NVVOZJAKSDATGE-UHFFFAOYSA-N 372.425 2.371 0 3 FEAF Nc1ccc(F)cc1NC(=O)c1cnc2cc(N3CCNCC3)ccc2n1 212358860 FXIKNSCTMYGHLW-UHFFFAOYSA-N 366.400 2.013 0 1 FEAF COc1ccc2c(c1)[C@H](O)[C@H]([C@@H]1COc3ccc(OC)cc3[C@@H]1O)CO2 13376916 ANVSINVPZBSBDR-FVCZOJIISA-N 358.390 2.488 0 1 FEAF biogenic Nc1nc(N2CCN(CCOc3ccccc3)CC2)c2ccsc2n1 45393328 RIFBABMLVJAMEE-UHFFFAOYSA-N 355.467 2.475 0 1 FEAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N[C@H](CO)CC(C)C 82198577 QEJDHXPCFIAKER-YTIHELSHSA-N 368.518 2.262 0 1 FEAF CC[C@H]1N[C@@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@@H]3C[C@@H]1[C@H]2CO3 238772550 RIHQHYIWKHVLRH-NIHREDACSA-N 358.438 2.016 0 1 FEAF O=C1C[C@@H](COc2nc(-c3ccc4c(c3)CCNC4)cc3ncccc23)CN1 141965545 QKKYWRQNSSZJCM-CQSZACIVSA-N 374.444 2.457 0 1 FEAF CNC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)Nc1cccc(OC)c1 95895479 ISGHWAYUAIRQOS-IPMKNSEASA-N 355.438 2.275 0 1 FEAF CCN(CC)CC(=O)Nc1ccccc1[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O 618016463 QKFUGGCLXOVUFE-LNLFQRSKSA-N 358.486 2.039 0 1 FEAF Cc1[nH]c2cccc(F)c2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O 587636765 HTRVGNCLSLMNLG-IRXDYDNUSA-N 371.416 2.110 0 1 FEAF Cc1c(NC(N)=O)cccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587238505 AWJFICHEVFKMEI-UHFFFAOYSA-N 373.438 2.279 0 1 FEAF COc1cncc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c12 586924932 CQPFKILZJLGUKV-UHFFFAOYSA-N 359.407 2.186 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2C(CC(=O)O)(CC(=O)O)N1 587824898 AVFQWKOEUSGTPV-ZETCQYMHSA-N 360.179 2.267 0 1 FEAF C[C@@]1(CN)CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 5930197 AIWSQUJKUKZFDQ-IBGZPJMESA-N 359.401 2.349 0 1 FEAF Cc1nnc2ccc(C(=O)NC3CN(c4cccc(F)n4)C3)cc2c1C 1857582800 JCJPXGAPTMEJPW-UHFFFAOYSA-N 351.385 2.399 0 1 FEAF COc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1 1857753622 DAQWHPXILJVVKZ-UHFFFAOYSA-N 354.454 2.032 0 1 FEAF CC(C)C(=O)c1c(O)c2c(c3c1O[C@@H](C(C)(C)O)C3)O[C@H](C(C)(C)O)C2 2356423337 VPBDCGLRLMBBMF-QWHCGFSZSA-N 364.438 2.380 0 1 FEAF CC1CCN(S(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1 2499789 VWLURCCZVSEQAY-UHFFFAOYSA-N 371.547 2.078 0 1 FEAF CC(C)[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](N3CCCC3)C(=O)N21 26958764 REGWEEZJIMKJBJ-WDSOQIARSA-N 366.465 2.170 0 1 FEAF Cc1noc(C)c1Cn1cc(N2CNCN(Cc3ccccc3)C2=O)cn1 115731869 UMMIILJDYOTPSS-UHFFFAOYSA-N 366.425 2.483 0 1 FEAF COc1cc2c(cc1OC)[C@@H]1[C@H](O[C@@H]2OC)[C@H](OC)C=C2CCN(C)[C@@H]21 2356666010 IFQRJDGCHMHOMX-CXQPBAHBSA-N 361.438 2.490 0 1 FEAF C[C@@H]1O[C@@H]2O[C@](O[C@H](C)CC[C@@H](C)O)(c3ccccc3)O[C@@H]2C[C@H]1O 36386590 WWMQSNWZYMIALE-UBZHQMDQSA-N 352.427 2.274 0 3 FEAF CN1CCO[C@@H](CN2c3ccccc3N(c3ccccc3)S2(=O)=O)C1 72120350 HRZCVADZOIJDCK-MRXNPFEDSA-N 359.451 2.220 0 1 FEAF Oc1c2c(cc3c1C1=Cc4ccc5c(c4[C@@H](O)N1CC3)OCO5)OCO2 13459009 JFZPMHUALXPYNM-LJQANCHMSA-N 353.330 2.210 0 1 FEAF biogenic Cc1oc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Nc1ccccc1 40395081 CGHGOYBTSNAPFZ-UHFFFAOYSA-N 365.411 2.253 0 1 FEAF COc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)cc1 84788694 IXRJVZXHUHJKJV-KRWDZBQOSA-N 367.405 2.037 0 1 FEAF COc1ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2n1 587023761 HUZHQBAAFIXFOF-UHFFFAOYSA-N 362.415 2.756 0 1 FEAF CCc1nnc2n1C[C@@H](C(=O)n1ncc3ccc(Cl)cc3c1=O)CC2 587655238 XXINUZGPDBODAX-NSHDSACASA-N 357.801 2.107 0 1 FEAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587174498 JVSAISIDXIETRX-CYBMUJFWSA-N 373.413 2.073 0 1 FEAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCC[C@H]2Cn2cncn2)N1 963229878 QKWIERINJXEYQH-GMVOTWDCSA-N 363.421 2.121 0 1 FEAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(S(N)(=O)=O)cc1 169351822 BNNJJPNUAZGCNB-UHFFFAOYSA-N 357.435 2.027 0 1 FEAF COc1cc([C@H]2CC(c3c(C)n(O)c4ccccc4[n+]3=O)=NN2)ccc1O 1857773856 PBSVLHDCAVQTQZ-CYBMUJFWSA-O 367.385 2.254 0 1 FEAF O=C(O)CCCCCC[C@@H]1C(=O)C[C@H](O)[C@H]1C=C[C@@H](O)CCCCCO 2356340273 LDUBDFDZFOQXGF-DWRORGKVSA-N 370.486 2.448 0 1 FEAF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@@]4(CO)C(=O)OC 2356500515 XLHUHYFKFFGUFE-SLWXAUBPSA-N 352.434 2.216 0 1 FEAF CC(=O)Oc1ccc2c3c1O[C@@H]1[C@@H](OC(C)=O)CC[C@H]4[C@H](C2)N(C)CC[C@@]314 34034154 NCXVKLDKUADJPV-ROIJKSTQSA-N 371.433 2.213 0 1 FEAF NC(=O)c1cccc2[nH]n(C3CCN(Cc4cccs4)CC3)c(=O)c12 146754977 OLJDWQJXPVXMDC-UHFFFAOYSA-N 356.451 2.327 0 1 FEAF CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@@H]13)OCO4 31794332 HJDZNSLTBDNJJW-UXPWSPDFSA-N 351.358 2.481 0 1 FEAF biogenic Oc1nc(O)c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2n1 587017923 TWSXSLKLSCQMQV-UHFFFAOYSA-N 353.363 2.490 0 1 FEAF Cc1ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2n1 587203014 MKPFKDIRTHWZGI-CQSZACIVSA-N 354.366 2.188 0 1 FEAF Cc1ccc(CCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1N 587249474 BCQKUJATNSZMJB-UHFFFAOYSA-N 358.467 2.489 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2c1 587245408 XRTYDCKDXMCKHG-ZHACJKMWSA-N 370.434 2.465 0 1 FEAF CN(C)S(=O)(=O)CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586929943 DLJNYKUQJNEMDK-UHFFFAOYSA-N 372.319 2.046 0 1 FEAF COc1cc(C(=O)N[C@@H](CO)Cc2ccccc2)ccc1-c1cn[nH]c1 1772637109 WTLKHNCRMWMEPP-QGZVFWFLSA-N 351.406 2.419 0 1 FEAF CCCn1cc(CNCc2cccnc2N2CCCN(C)CC2)c(C)n1 12586539 WGHDVLSTWMSLMD-UHFFFAOYSA-N 356.518 2.428 0 1 FEAF CN1CCC(N=c2ccc3ncc(-c4ccc([S@](C)=O)cc4)n3[nH]2)CC1 1857620513 HIRCFYKODJJSAE-SANMLTNESA-N 369.494 2.062 0 1 FEAF CCCCNC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 4078603 AVMYCGJNQUPEPM-DCXXXQMHSA-N 354.450 2.193 0 1 FEAF O=C1[C@@H](O)N=C(c2ccccc2F)c2ccccc2N1C1CCNCC1 27755792 LAGPVKHRKYPXLI-LJQANCHMSA-N 353.397 2.080 0 1 FEAF CCOC(=O)C1=C(O)CCC2(C(=O)OC(C)(C)OC2=O)[C@H]1c1ccco1 101151133 AALUGTCEOMBQJS-ZDUSSCGKSA-N 364.350 2.355 0 1 FEAF O=C(c1cnccn1)N1CCN(c2nc(-c3cccc(Cl)c3)no2)CC1 21650301 IMHARSDCSJTMDH-UHFFFAOYSA-N 370.800 2.142 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)O)[C@@H](O)C[C@H]1O 2356675394 UBWZMPMLSDJDSU-KOUJMVCDSA-N 370.486 2.014 0 1 FEAF COc1ccc(CN2C(=O)CNC(=O)[C@H]2Cc2c[nH]c3ccccc23)cc1 71280960 KFQKSSFQAYRBIC-LJQANCHMSA-N 363.417 2.246 0 1 FEAF Cc1ccccc1-c1nc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)co1 72185120 NCMUUIDRXKARGB-GOSISDBHSA-N 355.438 2.473 0 1 FEAF CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(OS(N)(=O)=O)cc1 1911579125 IJXHSTRWQYFJKJ-UHFFFAOYSA-N 364.467 2.448 0 1 FEAF O=C(CNC(=O)c1ccc(F)cc1)N[C@H](c1ccccc1)c1ncccn1 40916501 MOSUHGCZZUVJGU-GOSISDBHSA-N 364.380 2.251 0 1 FEAF CONC(=O)C[C@H](CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1 139633039 WUQUCNJVVCEYPG-INIZCTEOSA-N 367.453 2.039 0 1 FEAF Cc1cccc(-c2nc(CNC(N)=O)cn2-c2ccc3c(c2)OCO3)n1 96933788 YMOBDHOXPOJYJK-UHFFFAOYSA-N 351.366 2.140 0 1 FEAF CC(C)(C)c1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O 96905481 KZMYUJCSCDCHAA-UHFFFAOYSA-N 372.446 2.428 0 1 FEAF Cc1noc(C)c1CCC(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 299850942 PMZKUDSMQRLXOW-ZHALLVOQSA-N 359.426 2.096 0 1 FEAF CC1CCC(NS(=O)(=O)Cc2nc3cccc(C(=O)O)c3[nH]2)CC1 586952016 AJAJKMMPLFXOTN-UHFFFAOYSA-N 351.428 2.259 0 1 FEAF COc1cc2c3c(c1)O[C@](C)(CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587439113 TXJIMVLJLHXQEE-YCRPNKLZSA-N 363.369 2.498 0 1 FEAF COC(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2n1 587216450 BQNJYWSTCORYIG-MRXNPFEDSA-N 352.394 2.473 0 1 FEAF COC(=O)CCCN1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587440439 ZRHMPYROBGFCEQ-OAHLLOKOSA-N 359.422 2.230 0 1 FEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(Br)ccnc2[nH]1 587256674 MGDDJHRENDZNQK-SECBINFHSA-N 355.236 2.322 0 1 FEAF CCOC(=O)COc1cc2c(cc1[C@@H]1NCCc3ccc(O)cc31)OCO2 963350318 AVDMFODLXXBWFZ-HXUWFJFHSA-N 371.389 2.298 0 1 FEAF Cn1cccc1CN1CCc2sccc2[C@]12CC[C@@H]1[C@@H](C(=O)O)NC[C@@H]12 962374147 NXMOTYFJEQECGT-QQDKQVRDSA-N 371.506 2.423 0 1 FEAF CN(C[C@H](O)Cn1c2cc(F)ccc2c2c(F)cccc21)S(C)(=O)=O 149350592 LIMMFCZLXCFBSH-LBPRGKRZSA-N 368.405 2.325 0 1 FEAF Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)s1 12573522 WAPZZFBFZCRDAB-BNOWGMLFSA-N 366.483 2.270 0 1 FEAF COc1ccccc1N1CCN(CCCN2C[C@@H]3CCCCN3C2)CC1 19332282 BSELYTAEVFSVSK-IBGZPJMESA-N 358.530 2.335 0 1 FEAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1nccn1C)CCC3 1857588314 PKNUFGUZFDXAHW-AWEZNQCLSA-N 354.410 2.247 0 1 FEAF Cc1sc([C@@H]2CCCN2C(=O)CN)cc1C(=O)Nc1nccs1 1857649591 PMKULEMGWXKBRQ-NSHDSACASA-N 350.469 2.388 0 1 FEAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc(-c2ccccc2)on1 1857752064 IUJJSKHMMAYUDA-INIZCTEOSA-N 368.393 2.288 0 1 FEAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC[C@H](O)CO 776256 QCFHBOXNRVRSMA-LBPRGKRZSA-N 362.426 2.121 0 1 FEAF CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1 4732689 AGTCRDWMPOGKOW-UHFFFAOYSA-N 363.420 2.349 0 1 FEAF CN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 20115928 YCBKBLPOSGXAKU-ZWKOTPCHSA-N 369.490 2.433 0 1 FEAF CC1(C)C(=O)CC[C@]2(C)c3c(O)c4c(c(O)c3C(=O)C[C@@H]12)C[C@@H](CO)O4 2356562285 SVWHWFYWEYBAAB-TVLKGPQESA-N 360.406 2.243 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]13CCC1=C(C(=O)OC1)[C@H](O)C=C[C@@H]32 2356608506 AHAPUAPISQPISM-YMDJXIFWSA-N 356.374 2.454 0 1 FEAF COc1ccc([C@@H]2[C@H](O)CO[C@H]2[C@@H](O)c2ccc(OC)c(OC)c2)cc1 2356713893 VOBMPBLQBUANQN-GEALJGNFSA-N 360.406 2.289 0 1 FEAF COCC(=O)NC[C@@H]1C[C@H]2CCN1C[C@@H]2c1cc(C2CCCC2)nc(C)n1 2356856528 SARQLZVJHSQCOR-SQNIBIBYSA-N 372.513 2.383 0 1 FEAF CC(C)(C)C(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 72177412 RFJRKBINAXZRHQ-PMPSAXMXSA-N 355.438 2.064 0 1 FEAF CCOC(=O)N1CCC(N[C@@H]2CCN(C(=O)c3ccccc3C)C2)CC1 73157229 SXMDVMCLXZRSDZ-QGZVFWFLSA-N 359.470 2.420 0 1 FEAF COC(=O)CCCCNC(=O)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 40420328 CPIPABQEBNFIHA-JKSUJKDBSA-N 362.426 2.151 0 1 FEAF NC(=O)c1ccc(N[C@H]2CCNC[C@@H]2c2ccc(F)cc2)c2cncnc12 143684388 SCWYHQWISDGCJM-QAPCUYQASA-N 365.412 2.425 0 1 FEAF O=C1C[C@]23CCN(CC4CC4)[C@@H]4C[C@H](O)[C@H]1C[C@@]42Cc1ccc(O)cc13 195392354 LOXFETCCXNYJIL-UYIOJHFGSA-N 353.462 2.401 0 1 FEAF O=C(NCc1ccc2c(c1)OCO2)c1cnc2ccc(Cl)cn2c1=O 95577901 BCZINSDXRUDUOM-UHFFFAOYSA-N 357.753 2.007 0 1 FEAF O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 95894625 ASBISCBCTXZQKG-AABGKKOBSA-N 362.429 2.412 0 1 FEAF CN1CCc2cc3c(cc2C(=O)C[C@@H]2C=CC4=C(OCO4)[C@@H]2C1)OCO3 238731136 GVARHZCAXDIZEL-SWLSCSKDSA-N 355.390 2.494 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(N)nc1 587867525 HYEQKSNRLZDGKF-UHFFFAOYSA-N 363.299 2.638 0 1 FEAF COc1cccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 586942485 MOKLGUAVNJNWFU-UHFFFAOYSA-N 366.830 2.141 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN[C@@H](C(=O)O)[C@@H]31 586989327 FBNDXELCTUZXGH-SGZRISQHSA-N 372.380 2.464 0 1 FEAF C[C@@]1(c2c[nH]c(=O)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585388 CZZOGOFMWMFLDH-LPHOPBHVSA-N 350.330 2.353 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)OC(=O)C2)N1 587829262 BORXQOMJQSJNKQ-KWKYVRJSSA-N 370.174 2.233 0 1 FEAF N=c1[nH]cc2nc(Cc3csc(NC(=O)c4cccs4)n3)nc-2[nH]1 587019220 KLQPDPMVRGTRRS-UHFFFAOYSA-N 357.424 2.078 0 1 FEAF CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 587398917 JJAZQKOXJSBXMY-HXUWFJFHSA-N 370.405 2.123 0 1 FEAF CN1C(=O)[C@@H]2[C@H]3O[C@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O 13675720 QMSLDDDUADQJHZ-QGFMHUBQSA-N 363.369 2.021 0 1 FEAF C[C@@H](NC(=O)Cn1c(NCCO)nc2ccccc21)[C@H]1C[C@@H]2CC[C@H]1C2 169687857 IMMAGYGNFBATCG-LVQVYYBASA-N 356.470 2.381 0 1 FEAF NS(=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc4ncsc4c32)cc1 1857623129 LTYGAJVXAFJKSY-UHFFFAOYSA-N 372.431 2.349 0 1 FEAF C[C@@]12C3=CCC[C@]1(O)O[C@@](C)([C@@H]1C[C@H](c4ccoc4)OC1=O)C[C@@H]2OC3=O 2356399529 YEXRBYBPNHPJRD-IPWGKGBGSA-N 374.389 2.403 0 1 FEAF CC=C1CN2CC[C@@H]3Nc4ccccc4[C@@H]3[C@@H]2C[C@H]1[C@H](CO)C(=O)OC 2356446762 QLRORKBBLVDRPD-JVJLKXRTSA-N 356.466 2.386 0 1 FEAF COc1ccn2nc(S(=O)(=O)Nc3cccc(Cl)c3Cl)nc2n1 103212892 ALPOTYZYEKCUEM-UHFFFAOYSA-N 374.209 2.241 0 1 FEAF CN1CC[C@H](c2ccc(Cl)cc2)[C@H](C[S@@](=O)CC(=O)N(C)C)C1 28461506 MHTHGYXELORNEW-UIMAMFOWSA-N 356.919 2.212 0 1 FEAF O=C1C[C@H](O)[C@H]([C@@H]2C[C@@H](O)CCC23Oc2cccc4cccc(c24)O3)O1 2356516777 JGGAIMHFJGEJKE-MNUAXYBXSA-N 356.374 2.145 0 1 FEAF CS[C@@]12Cc3ccccc3N1C(=O)[C@]1(Cc3ccccc3O1)NC2=O 2356796196 MYLGWXSGDVSMSI-RTBURBONSA-N 352.415 2.096 0 1 FEAF COc1ccc(C(=O)C2=NCCc3cc4c(cc32)OCO4)c(O)c1OC 6018069 WTHZSAUEBXLXHB-UHFFFAOYSA-N 355.346 2.366 0 1 FEAF biogenic CN1CCC(C(=O)N2Cc3c(n[nH]c3NC(=O)c3ccco3)C2(C)C)CC1 71315857 JKLNMYJBWWAZSO-UHFFFAOYSA-N 371.441 2.174 0 1 FEAF CCOc1ccccc1OS(=O)(=O)c1ccc(N2CCNC2=O)cc1 72107872 CKZPRCFJUHPYTA-UHFFFAOYSA-N 362.407 2.383 0 1 FEAF Cc1nsc(-c2ccc(N3CCN(c4cccc(N)c4)CC3)nn2)n1 40639443 HFVCFOSCZKTSJU-UHFFFAOYSA-N 353.455 2.212 0 1 FEAF CC(C)(C)NC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 199208183 RQRYKSWDYNNFRT-SFHVURJKSA-N 353.422 2.459 0 3 FEAF COc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C(C)C)c2n1 142885905 POUAFZQJTHQPGD-UHFFFAOYSA-N 369.425 2.256 0 1 FEAF O=C1N[C@H](c2ccccn2)CC[C@H]1C(=O)N[C@@H]1CCOc2ccccc21 618013199 FPRDRBFOPHGHNN-UXLLHSPISA-N 351.406 2.289 0 1 FEAF C[C@H](Sc1ncccn1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586962726 ABGNOZQWOYZHKW-JTQLQIEISA-N 363.468 2.457 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C=NN(CC(=O)O)c4ccccc41)[C@@H](C2)C3=O 587437217 XUXAGCPXONXYRN-VBKZILBWSA-N 364.357 2.229 0 1 FEAF COc1cc2c3c(c1)O[C@@]1([C@H]4[C@H]5C[C@@H]6[C@H]4[C@]4(C(=O)O)[C@@H]1[C@H]5[C@@H]64)[C@@H](C2)C3=O 587453554 ZHIFXMPYRVYFLO-UDDVRJPTSA-N 350.370 2.024 0 1 FEAF O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC[C@H](O)C1 11937872 ABZZSAVMAAQLMG-AWEZNQCLSA-N 353.378 2.399 0 3 FEAF C/C=C1/CO[C@@H](O)[C@]2(C(=O)OC)[C@H]1C[C@@H]1NCCc3c1n2c1ccccc31 14719731 JNERBODVRAQESP-HYWFHCKFSA-N 368.433 2.011 0 1 FEAF Cn1c(=O)c2c(Cl)cccc2c(=O)n1CCCNC(=O)OC(C)(C)C 169350347 DQOIOABCFHDWBY-UHFFFAOYSA-N 367.833 2.268 0 1 FEAF COc1ccccc1N1CCN(C2=N[C@H]3CCCCC[C@@H]3C(=O)N2)CC1 1857578804 NWRQEDZMNCLLOS-HOTGVXAUSA-N 356.470 2.252 0 1 FEAF CC(C)[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857630012 VPVVWGVWXVITFE-CDHQVMDDSA-N 359.514 2.279 0 1 FEAF C[C@H](C(=O)N1CCN(c2ccccn2)CC1)n1sc2ccccc2c1=O 6799833 DRGPTQVMEZWWEJ-CQSZACIVSA-N 368.462 2.368 0 1 FEAF COc1cc2nc(C)c(=O)n(CC(=O)Nc3ccccc3)c2cc1OC 103279235 KJDMSLONFQVRBD-UHFFFAOYSA-N 353.378 2.361 0 1 FEAF CC(C)C(=O)NC[C@H]1CN(c2ccc3c(c2)OC[C@@H]2CCCN32)C(=O)O1 27320915 WXQPTGHNXPNSSZ-GJZGRUSLSA-N 359.426 2.145 0 1 FEAF CCCNC(=O)n1nc(-c2ccc(N)cc2)c2cc3c(cc2c1=O)OCO3 29547856 DZDHBRGWZACXDB-UHFFFAOYSA-N 366.377 2.342 0 1 FEAF N[C@@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](CCCc4ccccc4)C3)c[nH]c21 28468536 VHJIRTUSMSLFBE-XAUMDUMWSA-N 353.470 2.241 0 1 FEAF CCCCCC[C@@H](O)CCCCCCC(=O)CCN(O)C(=O)[C@H](N)CO 14612881 FRMSDVSQWDGNEK-SJLPKXTDSA-N 374.522 2.155 0 1 FEAF biogenic Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(N)=S)cc1 71318169 DFKGBNFKEFSAKR-UHFFFAOYSA-N 372.475 2.129 0 1 FEAF NC1=NC(=O)N=C(N)C1[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 49679138 IDQZGZQLCFJVGK-CQSZACIVSA-N 362.389 2.223 0 1 FEAF O=C(O)COCc1nc2c(Br)cnc(Br)c2[nH]1 587562837 GPDDXFUVGJPBCG-UHFFFAOYSA-N 364.981 2.084 0 1 FEAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H](C)CC(=O)OC)[nH]c2c1 587787419 VLIOISHMMURJME-GFCCVEGCSA-N 367.471 2.335 0 1 FEAF COCCO[C@@H]1c2c(ncn2Cc2ccc(OC)cc2)N=CN(C)N1C 13559514 XVQWTNYKFPHMFD-GOSISDBHSA-N 359.430 2.054 0 1 FEAF C[C@@H]1C[C@@H](O)[C@@]23CO[C@@]2(CO)CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 14765357 BWDPEGUHIBSSSY-HPQWIRMFSA-N 362.422 2.203 0 1 FEAF Cc1ccc2onc(CNC(=O)N3CCN(C(=O)c4ccco4)CC3)c2c1 6866084 YYCGWKVSXSPMLJ-UHFFFAOYSA-N 368.393 2.397 0 1 FEAF CC[C@@H]1CCCCN1CCCNC(=O)c1c(O)n2ccc(C)cc2nc1=O 102438339 MOCSHRYIFPSNFO-OAHLLOKOSA-N 372.469 2.093 0 3 FEAF C[C@H]1CCCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28892053 IFCYHVCTAATODB-RDJZCZTQSA-N 362.495 2.353 0 1 FEAF Cn1c(N2CCN[C@H](c3ccc(F)cc3)C2)nc(-c2ccncc2)cc1=O 116770675 FUNQYVHHYVHMGM-SFHVURJKSA-N 365.412 2.132 0 1 FEAF Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2cccnc2)no1 110835173 VKXHBLMZMJLFNL-CABCVRRESA-N 351.318 2.127 0 1 FEAF CCOC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3C)CC1=O 28096894 WUGZFHIGKDHJFG-QTQZEZTPSA-N 357.450 2.352 0 1 FEAF CCOC(=O)CCN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OC)ccc(c23)C1 39293234 XRIDPWWRSKCXEW-WJPUGNRLSA-N 373.449 2.174 0 1 FEAF CCCCOC(=O)[C@H]1C=C(C(=O)O)c2cccc(C(=O)CC(=O)O)c2C1 14824843 VOBONSLRNOLRLV-LLVKDONJSA-N 360.362 2.328 0 1 FEAF biogenic Cc1oc(-c2ccc(N)cc2)nc1C(=O)N(CC(=O)O)Cc1ccccn1 40845446 UZZLEQITZMLRJF-UHFFFAOYSA-N 366.377 2.354 0 1 FEAF COc1cccc(CNc2nc(N(C)CCN(C)C)ncc2C)c1OC 82202796 WLRWPYCBOVAIDX-UHFFFAOYSA-N 359.474 2.412 0 1 FEAF O=C1CCCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 43197137 NQQJOPGCXSXLET-UHFFFAOYSA-N 369.396 2.422 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)C3CC3)N(C(=O)CC)[C@H]2CO)cc1 95895231 LDIOELSZPYZCLS-MGLCAYFTSA-N 356.466 2.311 0 1 FEAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cnc(Cl)[nH]c-3n2)cc1 586940896 JMOAVVDPSYODNS-SREVYHEPSA-N 363.830 2.357 0 1 FEAF COC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 587369698 NPWDZZVEJLRFRR-LJQANCHMSA-N 369.352 2.175 0 1 FEAF Cc1cc2c(cc1C)[C@]1(N[C@H](C(=O)O)Cc3cc(C)c(O)cc31)C(=O)N2 963506156 FRZSCWYJGUVKLX-JXFKEZNVSA-N 352.390 2.112 0 1 FEAF Cc1nc2ccccc2nc1N1CCN(c2ccnc([C@@H](C)O)n2)CC1 13472175 SSVBSNIVVKLJEF-CQSZACIVSA-N 350.426 2.108 0 1 FEAF C=C(Cl)C(=O)N[C@@H]1CC[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5 169307572 VGEFGSWMGRTTKI-JCNKTHLJSA-N 374.868 2.299 0 1 FEAF O=S(=O)(c1ccc(F)cc1)c1nc2ccccc2nc1N1CCOCC1 169324544 CKDDQILZWABWRD-UHFFFAOYSA-N 373.409 2.438 0 1 FEAF CC(C)(C)c1ccc(NC(=O)C2=CN3C=CS(=O)(=O)N[C@@H]3C=C2)cc1 169691967 MUUAIDWSDNYKQE-INIZCTEOSA-N 359.451 2.409 0 1 FEAF CC(=O)[C@@]1(C(=O)N2CCOCC2)CC(c2ccccc2C(F)(F)F)=NO1 203474302 BJBLVOPTFWPERU-MRXNPFEDSA-N 370.327 2.016 0 3 FEAF O=C1C=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[S@@](=O)N1 1857551165 SOLZPTFXHPJQED-XMMPIXPASA-N 372.427 2.013 0 1 FEAF Cc1ccc(S(=O)(=O)Nc2n[n+](-c3cccc(Cl)c3C)no2)cc1 3811825 KPEGQLCOIDDBDC-UHFFFAOYSA-N 365.822 2.417 0 1 FEAF COC(=O)Cc1c(C)nc2nc(NCc3ccc(Cl)cc3)nn2c1O 102662883 NNECMNOPGSGBCF-UHFFFAOYSA-N 361.789 2.119 0 1 FEAF COc1cc([C@@H]2c3cc4c(cc3O[C@@H](NN)[C@@H]2C)OCO4)cc(OC)c1O 105524164 SWKDOMTZLKUFNX-YZYVNEJNSA-N 374.393 2.088 0 1 FEAF CCCn1c(=O)c2nc(C3=CC(C)(C)N([O])C3(C)C)[nH]c2n(CCC)c1=O 101485398 GYMKCPNKUNQKQT-UHFFFAOYSA-N 374.465 2.308 0 1 FEAF C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)C1CCCCC1 61903664 ZIKMMWXVVSUFDG-MRXNPFEDSA-N 370.496 2.124 0 3 FEAF NC(=O)c1[nH]c2ccc(-c3cccnc3)cc2c1S(=O)(=O)N1CCCC1 29038971 TYNSDDNCLUECST-UHFFFAOYSA-N 370.434 2.113 0 1 FEAF Cc1cc2cc3c(c(O)c2c(O)c1[C@@H](C)O)C(=O)[C@@](C)(O)C(=O)C3(C)C 2356659944 YVDOHZGVZDOOCW-GSDQLPOLSA-N 358.390 2.407 0 1 FEAF CC=C1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@H]1O 2356725262 BERYBAUEDCRDKM-RRILURLBSA-N 350.418 2.313 0 1 FEAF CN1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)C1 35079193 NQQNKHZDFFYPMX-KBPBESRZSA-N 363.849 2.370 0 1 FEAF CCCCOC(=O)COC(=O)CNC(=O)c1coc(-c2ccccc2C)n1 82072298 VOYSTZYWFJBRFY-UHFFFAOYSA-N 374.393 2.266 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C 257694457 YOQIGAVHLYFIAF-SSXUWVGBSA-N 364.438 2.243 0 1 FEAF endogenous,in-man COc1cc(C(=O)[C@@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O 85861354 RWAKIPFJHIOZAN-ARGWCVDVSA-N 374.389 2.294 0 1 FEAF biogenic Oc1nc(-c2cc(-c3ccon3)n(Cc3ncccc3F)n2)ncc1F 653837738 YXQCZMABDBFVDY-UHFFFAOYSA-N 356.292 2.422 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CCO[C@H]2C3)N1 587789564 DVHBQVKCAKKQSH-VFVAKGGASA-N 355.251 2.422 0 1 FEAF CN1CCN(c2ccc3nc(CS(=O)(=O)C4CCCC4)[nH]c3c2)CC1 586924697 UHASQGNLOQJYOE-UHFFFAOYSA-N 362.499 2.172 0 1 FEAF NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(F)cc3[nH]2)c1 586929810 KATVBNUJYDTACG-UHFFFAOYSA-N 359.180 2.107 0 1 FEAF COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1OC 169294079 YJWKFEOPTCAJCT-IZXHFZDPSA-N 353.418 2.299 0 1 FEAF O=S(=O)(Nc1sc(S)nc1O)c1ccc(-c2ncccn2)cc1 169728820 AUPMNVGHBRNWEP-UHFFFAOYSA-N 366.449 2.395 0 1 FEAF C[C@H](Nc1ncnc2nc[nH]c12)c1nn2cccc2c(=O)n1-c1ccccc1 205592086 DHKGAONLXNGQLB-LBPRGKRZSA-N 372.392 2.325 0 1 FEAF N=C1NC(=N)N(c2cccc(Cl)c2)C2(CCN(C(=O)C3CCC3)CC2)N1 1857748683 SVHSUPIQKGSWOV-UHFFFAOYSA-N 374.876 2.328 0 1 FEAF Cc1cn(CCCN/C(=C\[N+](=O)[O-])Nc2ccc3c(c2)OCCO3)cn1 101285192 PLSCYKRKUSLPDW-GZTJUZNOSA-N 359.386 2.130 0 1 FEAF CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCCCCN 29562787 LESSUAPWMAPCGJ-SFHVURJKSA-N 374.485 2.316 0 1 FEAF COc1cc(C[C@]2(O)c3ccccc3C3=NCCN32)cc(OC)c1OC 26263904 AXWBXWNUVRFQLH-FQEVSTJZSA-N 354.406 2.176 0 1 FEAF CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)Nc2nccs2)nn1 2356298737 YEDIUJVJBDYUGN-FVQBIDKESA-N 374.514 2.426 0 1 FEAF CC(C=CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)=C[C@H](C)CC(=O)O 2356539494 QDUUNHXRESPFEU-BBRMVZONSA-N 361.394 2.117 0 1 FEAF CS[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@@](C)(SC)N(C)C1=O 2356721720 MUVHKGMQAIWHRP-IAGOWNOFSA-N 363.508 2.437 0 1 FEAF CN(C)C[C@@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1 29125905 LHQFZQWLXWONER-CYBMUJFWSA-N 369.450 2.024 0 1 FEAF COc1ccc(CCNc2nc(N3CC[C@@H](NC(C)=O)C3)ncc2C)cc1 82204004 PNSLVWCJELOUQJ-QGZVFWFLSA-N 369.469 2.163 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CCC(=O)[C@@H](C)[C@@]21C 86010768 WKMBTXJFBQEZHO-LNWILSRRSA-N 362.422 2.452 0 1 FEAF in-man CCNc1ncc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1 142227004 KZJAAXGHSBEUKO-ZDUSSCGKSA-N 355.442 2.373 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1C/C(C)=C/C[C@H](O)[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 238744188 OALKRCUXSIESFZ-OOLVCABRSA-N 364.438 2.301 0 1 FEAF CC(=O)Oc1ccc2c3c1O[C@@H]1[C@H](OC(C)=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314 261141081 NCXVKLDKUADJPV-OJSCBBQISA-N 371.433 2.213 0 1 FEAF in-vitro O=S1(=O)c2cccnc2O[C@@H](COc2ccccc2)CN1CC1CC1 299852508 SZWFATHCGXAEKK-MRXNPFEDSA-N 360.435 2.322 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)CCC2=O)N1 587757694 BFGCVEJRZBZPRX-ABKXIKBNSA-N 369.234 2.487 0 1 FEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(=O)O)c(F)cc2[nH]1 587225109 NNTMMKGUAUIFNL-SNVBAGLBSA-N 357.341 2.484 0 1 FEAF Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)C(=O)N(C(C)C)c2ccccc21 963471142 MVTFEHCHIQRBMD-BTYIYWSLSA-N 366.417 2.298 0 1 FEAF O=C(N[C@@H](C[C@@H]1C(=O)Nc2ccccc21)C(=O)O)OCc1ccccc1 147655320 VIQVFWBSCSJFHT-HOCLYGCPSA-N 354.362 2.492 0 1 FEAF CCCN(CCC)C(=O)CCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 16954725 XXULWKITEYWCRF-UHFFFAOYSA-N 372.517 2.453 0 1 FEAF CCCN(CCN1C=CN(C)C1=CN=O)S(=O)(=O)c1ccccc1 1857621933 RPRSBMUAKOPTRE-UHFFFAOYSA-N 350.444 2.371 0 1 FEAF CN=c1[nH]cc(C(=O)OCc2cccc(F)c2)c2nc(-c3ccco3)nn12 1857770895 NWWKYDWORDCFBN-UHFFFAOYSA-N 367.340 2.344 0 1 FEAF O=c1[nH]c2ccc(N3CCC[C@@H](O)C3)nc2nc1Cc1ccc(F)cc1 766678 LXRCZSQMEGHEMO-CQSZACIVSA-N 354.385 2.009 0 1 FEAF COC(=O)c1scc2[nH]c([S@@](=O)Cc3cc(OC)ccn3)nc12 27517519 VWHFVVXDEBXKIF-HSZRJFAPSA-N 351.409 2.122 0 1 FEAF COc1cccc(OC)c1OC(=O)[C@@H]1CN(C)CCN1Cc1ccccc1 29570484 IVIXQAHJSNRIQB-KRWDZBQOSA-N 370.449 2.425 0 1 FEAF CCC(=O)NC1CCN(CCCN2C(=O)CCc3cccc(F)c32)CC1 64553670 PUSOKKSBOOFDFO-UHFFFAOYSA-N 361.461 2.486 0 1 FEAF CCc1nc(C(=O)N2CCC[C@H]2C(=O)OCCCCN(C)C)cs1 82073522 UTJOLZJHJQAGMV-AWEZNQCLSA-N 353.488 2.195 0 1 FEAF CCCCn1c(-c2ccccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 95587400 KCEWOOVCWCPFCY-UHFFFAOYSA-N 351.410 2.452 0 1 FEAF in-vitro CC(C)COC(=O)N1CC(=O)N(Cc2ccc(Cl)cc2)C[C@H](O)C1 299862491 JSPGFVHQEISAEZ-HNNXBMFYSA-N 354.834 2.138 0 1 FEAF CCCCc1c(C(=O)NC(=N)N)cnn1-c1cccc2nc(O)ccc12 299854364 XFNUTZXKWDTTCJ-UHFFFAOYSA-N 352.398 2.092 0 1 FEAF N=c1[nH]cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)nc-2[nH]1 586921143 CZAJJLBNERKWLP-UHFFFAOYSA-N 365.418 2.358 0 1 FEAF CC1(C)OC(=O)C[C@H]1c1nc2cc(I)cnc2[nH]1 586910889 QMIRVJVTGVSVJM-ZETCQYMHSA-N 357.151 2.372 0 1 FEAF CCOC(=O)c1sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)nc1C 13153684 KQSYOBQZSYZSAI-VLEAKVRGSA-N 350.396 2.090 0 1 FEAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@@H](N3CCCCCC3=O)CN1CC2 169311441 HNCSYKUUKHXRCJ-SQNIBIBYSA-N 373.497 2.105 0 1 FEAF N[C@@H]1CCCN(c2nccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1 205264596 CWZIRHXWUZBYHT-CQSZACIVSA-N 372.436 2.404 0 1 FEAF CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@H]1c1ccc(C)cc1 1857542841 DJHPJICVZYBURS-SFHVURJKSA-N 373.434 2.275 0 1 FEAF CN1c2cc(-c3ccccc3)ccc2CN([C@@H]2CCN(C#N)C2)S1(=O)=O 1857578699 MKDAGXKNDMUOJF-GOSISDBHSA-N 368.462 2.406 0 1 FEAF COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5cc(O)ccc45)[C@@H]3C[C@H]21 2356412277 MIUYYRGOYGWVDO-ZJKJAXBQSA-N 370.449 2.353 0 1 FEAF CCC[C@H](O)CC=C[C@@H](O)CCCC(=O)OCCCCCNC(C)=O 2356324531 JMFZUNRAZVOAHJ-ZWKOTPCHSA-N 357.491 2.475 0 1 FEAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C)[C@@H]1c1ccncc1 26569192 PEZHVVNWYWIXGL-PQMNFKMDSA-N 359.426 2.435 0 1 FEAF O=C(c1ccccc1)N1CCN(C[C@@H](O)COC[C@@H]2CC=CCC2)CC1 20026348 SDURUYRZFZLZBY-UYAOXDASSA-N 358.482 2.178 0 3 FEAF COC(=O)C1=C[C@@H]2[C@H](O)[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2[C@H](C)O1 2356687275 KHMWMNSPWIVDFD-GMVGQWCBSA-N 368.433 2.150 0 1 FEAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@H]2[C@H](O)/C=C\C(=O)O1 31494920 ZZWKZQDOSJAGGF-SVSCUDDYSA-N 365.470 2.075 0 1 FEAF CCCc1c(C(=O)NC[C@@H](N)C(=O)O)[nH]c2cccc(Br)c12 43061579 DQDMIAPFCSIMAY-SNVBAGLBSA-N 368.231 2.025 0 1 FEAF CC(C)[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(C(C)C)c2=O)N1 82206269 VFZBIKUJAQQFPR-OAHLLOKOSA-N 358.442 2.359 0 1 FEAF NC1=N[C@]2(CO1)c1cc(Br)ccc1O[C@@H](C1CC1)C21COC1 149290457 YRMAWAYLQWOXON-XJKSGUPXSA-N 365.227 2.177 0 1 FEAF CN1CC[C@]23C(=O)C[C@H]4C(=CCOC5=CC(=O)N(c6ccccc62)[C@H]3[C@H]54)C1 238773470 PKPARRIYUZPZFV-LBPSXOOBSA-N 362.429 2.034 0 1 FEAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(Cl)ncc2[nH]1 587227804 YHEAHZQLOKEWTG-UHFFFAOYSA-N 373.800 2.154 0 1 FEAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(N)=O)cc2[nH]1)C(C)C 586933938 ZSFPKPFUNGORPM-AWEZNQCLSA-N 352.460 2.078 0 1 FEAF N=c1[nH]cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc-2[nH]1 587172741 KWQDZQVEIFDTJD-UHFFFAOYSA-N 354.320 2.312 0 1 FEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc([C@H](N)N=O)cc2[nH]1 587226554 ZWEUUFLFKIBZIS-PIGZYNQJSA-N 353.382 2.370 0 1 FEAF CN(C)C(=O)[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963192000 XUFYGBCGYQLTFX-LKFCYVNXSA-N 364.751 2.261 0 1 FEAF COC(=O)COc1ccc([C@@H]2NCCc3nc4ccccn4c32)cc1OC 962998286 UMFDCSFACJOGLV-IBGZPJMESA-N 367.405 2.130 0 1 FEAF O=C(CSC(=S)NN1CCCCC1)NCc1ccc2c(c1)OCO2 1772579136 BBTCKEXHWZTMNX-UHFFFAOYSA-N 367.496 2.040 0 1 FEAF COc1cnc(Nc2cnc(Cl)c(N)c2)c(-c2nc(C)nc(N)n2)c1 169703348 VXIFMJZIIDYJBM-UHFFFAOYSA-N 358.793 2.207 0 1 FEAF C[C@H](O)CNC(=O)c1ccc(NC(=O)N2Cc3ccc(C#N)cc3C2)cc1 167521024 BJENUMJQGMPSHL-ZDUSSCGKSA-N 364.405 2.217 0 1 FEAF Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(O)CC3)CC2)c(C)c1 1857548831 HQOVEMZNOSPMKR-UHFFFAOYSA-N 366.527 2.222 0 1 FEAF COc1ncc(CS(=O)(=O)Nc2ccc(Cl)nc2O)cc1Cl 1857594905 GHOIZZRUBGGBHC-UHFFFAOYSA-N 364.210 2.440 0 1 FEAF N[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 2356321587 CVOPGWSAYOOQTC-QXSJWSMHSA-N 367.371 2.022 0 1 FEAF COC(=O)[C@]1(CO)C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 2356390823 DMLOCDNIVNQNJZ-NBYDKTAJSA-N 368.477 2.292 0 1 FEAF CCOC(=O)C1CCN(C(=O)Cn2c(C)cc3ccccc3c2=O)CC1 6724991 MNPMRPWGGWLUBQ-UHFFFAOYSA-N 356.422 2.112 0 1 FEAF CC(=O)N1CCC(NC(=O)NC23CC4C[C@@](F)(C2)C[C@@](F)(C4)C3)CC1 101393913 LRLXBDNGOOHPQK-KHCOKFHASA-N 355.429 2.450 0 1 FEAF C=C1C2=C(O[C@H](/C(C)=C/[C@H](C)C[C@H](C)CC)[C@@H](O)[C@@H]2O)C(=O)N1OC 36375291 KMRRFXCHVAGVTO-DMBDIMBZSA-N 351.443 2.297 0 1 FEAF COc1cc(O)c2nc3n(c(=O)c2c1)-c1ccccc1C(=O)N1CCC[C@@H]31 13397518 JIIDXCQQSWFYCR-HNNXBMFYSA-N 363.373 2.391 0 1 FEAF biogenic Cn1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)c2)n1 95604129 OTZXLWIDYPQTOQ-OAHLLOKOSA-N 367.331 2.007 0 1 FEAF COc1ccc2c3c1O[C@@H]1C[C@H](OC(=O)C[C@H](C)O)C=C[C@@]31CCN(C)C2 85797105 MJSGJSLIEXDCKY-GHESNWTDSA-N 373.449 2.172 0 1 FEAF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(C(=O)O)N1 587825768 FFOZZWNWIJBJDM-UOWDBTKRSA-N 360.179 2.267 0 1 FEAF Nc1c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cnc2c(F)cccc12 587176480 MGCWTRBBBOHZEU-UHFFFAOYSA-N 357.370 2.147 0 1 FEAF Nc1nccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c12 587258999 CKQRHVHCUZXABN-ZDUSSCGKSA-N 354.414 2.247 0 1 FEAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587069738 JVIYFWUXCCYSHN-LBPRGKRZSA-N 353.817 2.477 0 1 FEAF CC[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1 5846193 PJDBOWKFHAMMHJ-LLVKDONJSA-N 359.401 2.362 0 1 FEAF COc1ccc(C(=O)[C@H]2CCCN(C(=O)Cn3ccc(C)n3)C2)cc1OC 12058513 MDFHZTJYPRUWGH-INIZCTEOSA-N 371.437 2.330 0 3 FEAF CCOc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cccnc3)C(=O)C[C@H]12 1857647071 BBAAYLOLSSWBTC-HNNXBMFYSA-N 365.389 2.086 0 1 FEAF O=C(c1cccnc1)N1C[C@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356320007 ZOJKICTVYLTIEO-BBRMVZONSA-N 358.348 2.476 0 1 FEAF Cn1nc(-c2cccc(S(N)(=O)=O)c2)s/c1=N\C1CCCCC1 28379604 LUZWOXPDDXACLY-ICFOKQHNSA-N 352.485 2.029 0 1 FEAF Cc1ccccc1CN1CCN2C=C(C(=O)N3CCCC3)OC2=NC1=O 74380169 UVHOGSIFNJQFDG-UHFFFAOYSA-N 354.410 2.083 0 3 FEAF COC(=O)N(C)C[C@@]12C=C[C@@H](O1)C(Cl)(Cl)C(=O)C2(Cl)Cl 16921860 IBKPNFIXWNBGMR-HZGVNTEJSA-N 363.024 2.309 0 1 FEAF biogenic CN(C)C[C@H](O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 224569009 OONCQNYQUIRUQX-ZDUSSCGKSA-N 360.433 2.434 0 1 FEAF COc1cc2c(cc1OC)[C@H]1C(C)=c3ccc(OC)c(OC)c3=CN1CC2 31950055 XSFMNCMPWRTCIV-OAQYLSRUSA-N 367.445 2.243 0 1 FEAF biogenic CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(N)c(N)cc3[nH]2)c1 586930725 PYAVOEWVRGWLEI-UHFFFAOYSA-N 359.455 2.425 0 1 FEAF Nc1nc(-c2cccc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c2)cs1 587021632 OMEGNARQKZJMEY-UHFFFAOYSA-N 371.447 2.583 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 587154832 SIEWCKVRXBKQJC-SCLBCKFNSA-N 374.441 2.294 0 1 FEAF O=C(N[C@@H]1CSC[C@]12NCCc1nc3ccccn3c12)c1ccccc1 962981967 ITAFQNNAUPJZCV-UZLBHIALSA-N 364.474 2.221 0 1 FEAF O=C(N[C@@H]1CCOC1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 167238951 FFYXSQIZJNPWAU-MRXNPFEDSA-N 352.394 2.148 0 1 FEAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cncnc4)c(=O)n1c23 1857584560 DSEGAFGOTQCMMD-SNVBAGLBSA-N 368.368 2.073 0 1 FEAF NCCCNCCCNCCCNC(=O)CC12CC3CC(CC(C3)C1)C2 27186304 SUBUBXGHSFJEFM-UHFFFAOYSA-N 364.578 2.017 0 1 FEAF CCCc1cc(=O)[nH]c(N2NC(C)=C[C@H]2NC(=O)c2ccccc2Cl)n1 66258280 HUBQUXNJBHOMAK-HNNXBMFYSA-N 373.844 2.360 0 1 FEAF CS(=O)(=O)NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1 63539668 RFBPWKMQWSIPEO-UHFFFAOYSA-N 365.846 2.239 0 1 FEAF COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](N3CCCCCC3=O)CN1CC2 36408317 HNCSYKUUKHXRCJ-BZSNNMDCSA-N 373.497 2.105 0 1 FEAF COc1cc(C[C@@H]2CO[C@H](O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O 14642251 AQTZWMJGAOIWFV-SXGZJXTBSA-N 360.406 2.481 0 1 FEAF biogenic COc1ccc2cc3[n+](cc2c1NCCO)CCc1cc2c(cc1-3)OCO2 40974987 SAFAXPWIOHYAQG-UHFFFAOYSA-O 365.409 2.492 0 1 FEAF Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)OC[C@@H]3CCCN3C)co2)cc1 82070814 ZEEJWJGBNMTYMW-HOCLYGCPSA-N 371.437 2.406 0 1 FEAF CCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1ccc(-c3cccnc3)c(=O)n1C2 25429868 ABCDHASODNZKHB-ZBFHGGJFSA-N 373.478 2.069 0 1 FEAF biogenic O=C1O[C@H]([C@H]2NCCc3cc4c(cc32)OCO4)c2ccc3c(c21)OCO3 34513583 YIQVPNZGGSTDKI-IRXDYDNUSA-N 353.330 2.243 0 1 FEAF biogenic O=C(N[C@H]1CNc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 653739195 XLSNJTZNUHLDQC-SFHVURJKSA-N 362.389 2.428 0 1 FEAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1OCC(N)=O)[C@@H](C2)C3=O 587433731 VHIYJIWQBNFTHY-VBKZILBWSA-N 353.374 2.222 0 1 FEAF NC(=O)c1cccc(C[C@H](N)c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587259654 HCCNSMKZZOOZOW-ZDUSSCGKSA-N 352.394 2.066 0 1 FEAF CN(C)C(=O)C[C@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962671987 SNSLPGADOBSGEZ-WOJBJXKFSA-N 355.438 2.027 0 1 FEAF CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 150338615 OFEIMXRKQMBMPZ-ZOMKSWQUSA-N 351.761 2.329 0 1 FEAF CCc1noc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 169711663 JPFBAMRNCUKWRT-GFCCVEGCSA-N 354.414 2.050 0 1 FEAF COc1ccc(-c2ccc(Nc3cc(=O)n(O)c(=O)n3C)cc2)c(OC)c1 1857591670 RYEDJJCQUAOJMS-UHFFFAOYSA-N 369.377 2.212 0 1 FEAF CCN1CCC[C@H]1CNC1=NS(=O)(=O)C(c2ccc(F)cc2)=C1C 9268473 IHRDRQPUDAZBJV-HNNXBMFYSA-N 351.447 2.373 0 1 FEAF COC(=O)[C@@H]1C[C@@]23CCC(=O)N4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]43 2356623664 JPHKISFVGIVFBD-UBPOBCSYSA-N 352.434 2.457 0 1 FEAF COCCNc1nc(-n2ncc3ccccc32)nc(N)c1Br 217073702 AGZVUBIPUFBNIQ-UHFFFAOYSA-N 363.219 2.219 0 1 FEAF O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2c(o1)CCCC2 96258515 NUZARGRTLLDKEI-UHFFFAOYSA-N 358.417 2.453 0 1 FEAF COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3CO)[nH]c2c1 95617656 IGVYIWUGJPECAJ-RUZDIDTESA-N 361.423 2.084 0 1 FEAF endogenous,world Cc1cccc(N2C(=O)[C@H]3ON=C(C(=O)c4cccs4)[C@@H]3C2=O)c1C 100643874 CYVMVERIVVLFDT-BBRMVZONSA-N 354.387 2.492 0 1 FEAF biogenic CCCS(=O)(=O)N1CCC(c2nc3ccc(C(=O)O)cc3[nH]2)CC1 586953634 WLJDIQCQNBXVFY-UHFFFAOYSA-N 351.428 2.180 0 1 FEAF Cc1nonc1CN1C(=O)CC[C@H]1CCNCCOc1ccc(F)cc1 12452611 BRLSNVLVSNPWRL-HNNXBMFYSA-N 362.405 2.067 0 1 FEAF C=C(Cl)C(=O)N[C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5 169307574 VGEFGSWMGRTTKI-LRVKAJIRSA-N 374.868 2.299 0 1 FEAF Cc1cc2ncnn2c2sc(C(=O)N[C@H]3Cc4cccnc4C3)c(N)c12 1857551255 SFXVLENGUQBVFY-NSHDSACASA-N 364.434 2.127 0 1 FEAF O=C(O)Cc1nn(CC(=O)Nc2ccccc2Cl)c(=O)c2ccccc12 599191 LVVPXSUJCOOKAD-UHFFFAOYSA-N 371.780 2.316 0 1 FEAF Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 4893438 XRYFMUWEGDKEIV-UHFFFAOYSA-N 373.430 2.346 0 3 FEAF aggregator CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(O)[C@H](O)[C@@H]2C1 2356384981 DINUARVDSHDVLN-SJCPCOBNSA-N 364.438 2.243 0 1 FEAF Cc1ccc(CN[C@@H]2CO[C@@H](CNC(=O)Nc3ccccc3)[C@@H]2O)cc1 2356619970 ACMNMTMMEAIRBK-CEXWTWQISA-N 355.438 2.035 0 1 FEAF CCc1cc(NC[C@@H](O)CO)nc(-c2ccc(Br)c(F)c2)n1 84672449 KSAQSTZDZQPHSX-LLVKDONJSA-N 370.222 2.373 0 1 FEAF CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](C)CN2 82212307 FJPLRXFKYLMSHC-LBPRGKRZSA-N 364.405 2.156 0 1 FEAF CC(C)CCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 250601676 SDUZQLOXNPPWHF-JEWRLFTDSA-N 360.479 2.192 0 1 FEAF N[C@H](N=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 957916667 VNVAOZRGKLJVTJ-HUUCEWRRSA-N 367.814 2.348 0 1 FEAF COc1ccc([C@]2(CO)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963232034 SQWZXPFICZGOMY-CTNGQTDRSA-N 364.401 2.078 0 1 FEAF CN1CCC(N=c2ccc3ncc(-c4ccc([S@@](C)=O)cc4)n3[nH]2)CC1 1857620512 HIRCFYKODJJSAE-AREMUKBSSA-N 369.494 2.062 0 1 FEAF CC(C)[C@@H](CN1CCC[C@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857630013 VPVVWGVWXVITFE-CWFSZBLJSA-N 359.514 2.279 0 1 FEAF O=C(COC(=O)c1cc[n+]([O-])cc1)NCCc1ccc(Cl)cc1Cl 3300809 AGAZPUIIICAUIR-UHFFFAOYSA-N 369.204 2.143 0 3 FEAF CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)O)C(C)(C)C 27639809 RPEMCHYEPZNXLW-NVXWUHKLSA-N 362.470 2.377 0 1 FEAF C[C@H]1N(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@]1(C)O 27419497 JEUUMDFLOYGTCN-CVJBHZAOSA-N 364.348 2.272 0 1 FEAF CC(C)c1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1 28129145 SRUSUEALFLSVAH-CGTJXYLNSA-N 370.405 2.421 0 1 FEAF O=C(NC[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O)C1CC1 2356747390 PIQYSXXCIWLFLF-AOIWGVFYSA-N 374.412 2.458 0 1 FEAF CNC(=O)C[C@H](CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1 137599080 HJNUQOATQYFGFP-INIZCTEOSA-N 351.454 2.107 0 1 FEAF COc1nccnc1Nc1ccc(F)c([C@]2(C(F)F)COCC(N)=N2)c1 145442283 FOXRQWMEUJAVSI-INIZCTEOSA-N 367.331 2.216 0 1 FEAF COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1cc(=O)oc2ccccc12 95572606 ZZQUGEBYEPDCHR-OCCSQVGLSA-N 361.394 2.264 0 1 FEAF O=C(c1ccc(O)nn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660235 PJBCFQUEJXHCJU-UHFFFAOYSA-N 362.320 2.387 0 1 FEAF COC(=O)c1ccnc2[nH]c([C@@]3(N)CCc4cc(OC)ccc4C3)nc12 587247586 UFLKPJFPTZAOPV-LJQANCHMSA-N 352.394 2.096 0 1 FEAF C[C@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)NCCc2ccc(O)cc21 963342094 QVVVJLRXZJEKOE-ICSRJNTNSA-N 351.406 2.115 0 1 FEAF Cn1ncc2c(NCCO)nc(Nc3cccc(OC(F)(F)F)c3)nc21 1772588522 AINHFMXEUZUXBK-UHFFFAOYSA-N 368.319 2.410 0 1 FEAF CC[C@H](C(=O)NCc1ccco1)n1nc(C)n2c(cc3occc32)c1=O 5149758 LEIKVCOYVGPYKR-CYBMUJFWSA-N 354.366 2.411 0 3 FEAF CN1CCCN(N(Cc2ccncn2)[C@H]2CCCc3cccnc32)CC1 1857640804 NXNIJUFHZFRIRS-IBGZPJMESA-N 352.486 2.304 0 1 FEAF C=C1C(=O)O[C@@H]2C=C(C)[C@@H](O)CC=C(C=O)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 253723748 VHJHOLGPLWDVRH-BDMDAPPZSA-N 362.422 2.268 0 1 FEAF COc1cc(C[C@@H]2[C@H](Cc3ccc4c(c3)OCO4)CO[C@H]2O)ccc1O 2356467194 GTIWICQLBSBHFL-STXHMFSFSA-N 358.390 2.496 0 1 FEAF CCOC(=O)CSc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1 103693914 JRGUMWLVMBOUHO-UHFFFAOYSA-N 364.814 2.369 0 3 FEAF CC(C)N[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 2356488315 IKZVGXFUXFHJKV-JFRXWTBNSA-N 359.445 2.181 0 1 FEAF CN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)o1 72176991 FLXPQNVJEUOWPX-UHFFFAOYSA-N 368.441 2.103 0 1 FEAF Cn1c(O)c([C@@]2(C)NNC(=O)N2c2ccccc2)c(=O)c2ccccc21 3846460 BPHIEAAKXHYNMN-IBGZPJMESA-N 350.378 2.151 0 1 FEAF biogenic CC(C)CN(C)C(=O)C1=NO[C@H](C(O)(C(F)(F)F)C(F)(F)F)C1 36184801 GGTAXQZNSGHFEJ-QMMMGPOBSA-N 350.259 2.101 0 1 FEAF O=C(O)C(I)=C(Br)Br 13450469 HBOKCGOLNUAKOF-UHFFFAOYSA-N 355.751 2.465 0 1 FEAF biogenic Cc1oc(-c2cccc(N)c2)nc1C(=O)N(CC(=O)O)Cc1ccccn1 40936294 QZOFOIIOAZGOEW-UHFFFAOYSA-N 366.377 2.354 0 1 FEAF CCc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CN(C)CC3 96174435 QSYUXSAAZKMXRE-UHFFFAOYSA-N 370.478 2.421 0 1 FEAF C[C@]12C[C@H](c3ccoc3)O[C@@H](O)[C@@H]1CC[C@@]13COC(=O)[C@@H]1C=CC[C@]23O 238766120 ZZEYREBRTKBREJ-DGFFPSKLSA-N 360.406 2.326 0 1 FEAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](O)[C@H](O)[C@@]13C[C@H](CO)[C@@H](CC[C@H]21)C3 257418756 FQXFNQBHZJYODR-SZYKZYAGSA-N 352.471 2.034 0 1 FEAF endogenous,in-man Cn1ncnc1-c1cnn2c1[nH][n+](=O)c1ccc(OCc3ccccc3)cc12 377845531 QSPZDCKEWYCVBV-UHFFFAOYSA-N 374.384 2.105 0 1 FEAF O=C(Cc1cccs1)N[C@@H]1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 34367133 HTMGDOLFVMFINJ-CZUORRHYSA-N 369.446 2.407 0 1 FEAF biogenic COC1=CC2=C(O)C(=O)N3c4ccccc4C(=O)N4CCC[C@@H]4[C@@H]3N2C=C1 85646997 FTKBEAYOJYGZKC-CRAIPNDOSA-N 365.389 2.107 0 1 FEAF biogenic Cc1ccnc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c12 586946325 KDHJXRCPNICVJZ-AWEZNQCLSA-N 372.450 2.391 0 1 FEAF COc1ccc(C[C@H](C(=O)Nc2cccc(F)c2)c2nn[nH]n2)c(OC)c1 5483622 QCAVVIKWEHYLQP-HNNXBMFYSA-N 371.372 2.321 0 3 FEAF C=C(Cl)C(=O)N[C@@H]1CC[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5 169307575 VGEFGSWMGRTTKI-ZWOQOPLNSA-N 374.868 2.299 0 1 FEAF O=C(O)C[C@H]1CCN(C2CCOCC2)C[C@H]1Cc1nc2cnccc2[nH]1 2356305737 BVLNEEDOQSEPEC-ZIAGYGMSSA-N 358.442 2.092 0 1 FEAF COc1ccccc1-c1nnc(NC(=O)CSc2nncn2C)s1 4174435 NBTQRWHHIAHWGI-UHFFFAOYSA-N 362.440 2.073 0 3 FEAF CC(=CCC[C@@]12O[C@@H](CCC(C)=CCO)[C@@](C)(CC[C@H]1O)OC2=O)CO 2356386751 VJRMCVCBCDACOE-PIKOESSRSA-N 368.470 2.018 0 1 FEAF Nc1n[nH]c2c1[C@H]1CCC[C@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 102052093 FDZAFCKLCZYXMJ-ZWNOBZJWSA-N 352.847 2.486 0 1 FEAF Nc1nc(OCc2cccc([131I])c2)c2[nH]cnc2n1 101034233 IRRAGWYGQHFFCC-IQTOPCCNSA-N 371.152 2.119 0 1 FEAF COc1ccc(/C=C(/C(N)=O)c2cc(OC)c(OC)c(OC)c2)cc1O 103193203 NDAKKEKFVZYOBV-NTUHNPAUSA-N 359.378 2.453 0 1 FEAF C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccc[nH]2)CC1 117375161 RLNVMGITCMKRAG-ZDUSSCGKSA-N 352.438 2.295 0 1 FEAF C[C@@H](CCc1ccc2c(c1)OCO2)NC[C@@H](O)c1ccc(O)c(C(=O)O)c1 26998154 BQQSUMYMDNUMIW-YVEFUNNKSA-N 373.405 2.463 0 1 FEAF CC(C)CC(=O)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 64564538 UXVJGEKUGDFIQY-UHFFFAOYSA-N 373.497 2.429 0 1 FEAF Cc1cc(Nc2cc(OCCN(C)C)nc(NCc3cc(C)no3)n2)[nH]n1 117126340 CKAVYTKOCKFOBC-UHFFFAOYSA-N 372.433 2.101 0 1 FEAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 29236252 PAALMPCHQXIBEW-RFZSNADRSA-N 369.461 2.074 0 1 FEAF CC1(C)CN(C(=O)c2ccccc2)C[C@H]2CN(C3CCOCC3)CCN21 2356696579 GSSGKYBAHVTAHD-LJQANCHMSA-N 357.498 2.086 0 1 FEAF Cc1nn(Cc2ccc(F)cc2)c(=O)c2c(O)c3n(c12)[C@@H](C)CN(C)C3=O 35950516 KGWWYQZYGFDJOF-JTQLQIEISA-N 370.384 2.046 0 1 FEAF CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1Cc2ccccc2C1 84726357 ZDKWTBFFKBWADD-FQEVSTJZSA-N 363.461 2.438 0 1 FEAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(C(N)=O)c2[nH]1 587194121 LYROZGBRSGXIPV-ZDUSSCGKSA-N 361.446 2.179 0 1 FEAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(S)n1N 587863596 DDPHULQFGMSYOH-UHFFFAOYSA-N 356.333 2.161 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1ccc(O[C@@H](C)C(N)=O)cc1)[C@@H](C2)C3=O 587427629 FASCVDDJHMONRQ-WBUIGNHESA-N 353.374 2.437 0 1 FEAF CO[C@@](F)(C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(F)(F)F 4459035 LRVXNAPUUUCNKD-AWEZNQCLSA-N 361.295 2.297 0 1 FEAF CS(=O)(=O)c1n[nH]c(-c2cccc3cc(Br)cnc23)n1 1857752001 MJOJVUVKYWFMKX-UHFFFAOYSA-N 353.201 2.186 0 1 FEAF CC[C@@H](C)N1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1 13743352 JLUIVZIFGHVQKL-MRVPVSSYSA-N 352.232 2.136 0 1 FEAF COc1cc(-c2cc([C@H]3CCCNC3)n3ncnc(N)c23)cc(F)c1CO 206411089 DXSHKFJMROBTDG-NSHDSACASA-N 371.416 2.086 0 1 FEAF O=C(NCCCC[C@H]1CN=C(c2ccccc2O)N1)c1ccccc1O 1857595295 FNFHAEDWTCHHQN-AWEZNQCLSA-N 353.422 2.417 0 1 FEAF C[C@@H]1C(=O)[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@]2(O)C[C@@H](O)[C@H]1C3 2356419156 IZIVAPRKBMMUKE-BPVHFEQTSA-N 350.455 2.385 0 1 FEAF CO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(OC)c(OC)c(OC)c1 104091781 MSFGCZCGASVVSL-DSDLTIFZSA-N 360.370 2.415 0 1 FEAF O=S(=O)(Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1)C(F)(F)F 103272253 MSFPOPRWJNALHO-SNVBAGLBSA-N 363.361 2.075 0 1 FEAF C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H]2C[C@]3([C@@H](O)O2)[C@@H](C(=O)CO)CC[C@H]13 26387826 QUQBHBRVKLEOEI-WVIDUPSYSA-N 360.450 2.003 0 1 FEAF COC1=C[C@@H]2[C@@H](O)CCCN2C(C)(C)[C@H]1n1cnc2ccccc2c1=O 26576308 DFNIOVFZEZNASS-RYRKJORJSA-N 355.438 2.085 0 1 FEAF COc1cccc(CN[C@@H]2CCC[C@H](C(=O)NC3CC3)CC(=O)N(C)C2)c1 2356735081 UYWBUGLCUYOKCK-FUHWJXTLSA-N 373.497 2.081 0 1 FEAF COc1cccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)cn2C)CC3)c1 64513008 GCEJQMWZAFXILZ-UHFFFAOYSA-N 363.421 2.300 0 1 FEAF COc1cc(O)c2c(c1OC)O[C@H](c1ccccc1O)[C@H](OC(C)=O)C2=O 14643390 KWSYXBWUMWEBHH-VQIMIIECSA-N 374.345 2.363 0 1 FEAF biogenic COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@@H](c3ccncc3)[C@@H]1C2 72182212 BUJZAYWHDVQZSM-DYVFJYSZSA-N 354.435 2.276 0 1 FEAF CN1C[C@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C(N)C1=O 73168779 ARWLTZWIOYRTKV-GOSISDBHSA-N 371.828 2.032 0 1 FEAF CC(=O)NCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1 82133692 OKJHMYOZHLFIEL-UHFFFAOYSA-N 369.469 2.102 0 1 FEAF CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2ccco2)NC(=O)N1 95591163 WPQATFJCSUYITP-MRXNPFEDSA-N 356.334 2.380 0 1 FEAF O=c1cc(-c2ccc3c(c2)OCCO3)nc2nc(Cc3ccccc3)[nH]n12 653666153 KSEILFKCERXZPJ-UHFFFAOYSA-N 360.373 2.447 0 1 FEAF NCCOCCOCCc1nc2cc(Br)c(F)c(F)c2[nH]1 587245726 DPLUOPJZTDKACN-UHFFFAOYSA-N 364.190 2.138 0 1 FEAF O=C(O)CC1(CC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601650 FBMGHUURGWVWQU-OAHLLOKOSA-N 358.302 2.042 0 1 FEAF CSc1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 586940182 WPRKGRYOKSBXSR-SECBINFHSA-N 351.457 2.058 0 1 FEAF Cc1ccc(C(=O)CCc2nc3nc(O)nc(O)c3cc2CC(=O)O)s1 587563145 FMENPFRAUVRTLI-UHFFFAOYSA-N 373.390 2.249 0 1 FEAF CCN1N=C(C(=O)O)[C@@]2(NCCc3c(C(=O)O)cccc32)c2ccccc21 963149972 PRIZVIQZCCPQOW-FQEVSTJZSA-N 365.389 2.055 0 1 FEAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OCCO)c2cn1)c1ccc(F)cc1 1772621409 QCXYDZHCUHNVSF-SNVBAGLBSA-N 359.361 2.351 0 1 FEAF Cc1ccc(C(=O)N2CCCCC2)nc1S(=O)(=O)N1CCCCC1 150073622 KJDPUBOCULVZCX-UHFFFAOYSA-N 351.472 2.191 0 1 FEAF CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)CC[C@@H]4[C@@H](C2)N(C)CC[C@]341 169692926 NCXVKLDKUADJPV-NFWXSOHESA-N 371.433 2.213 0 1 FEAF Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3S2(=O)=O)cc1C 1623974 TYKMYTNMJZZHHO-INIZCTEOSA-N 358.419 2.427 0 1 FEAF Cc1ccc2c(c1)[n+](=O)c(C(=O)NCc1ccc3c(c1)OCO3)c(C)n2O 64264782 IDVDJZBUZVWNBP-UHFFFAOYSA-O 368.369 2.069 0 1 FEAF COCCN1C(=O)C(=O)c2cc(Br)cc(Br)c21 28711805 HMPGRVUNDWCPKY-UHFFFAOYSA-N 363.005 2.387 0 1 FEAF Cn1cc(-c2cnn3c(N)c(-c4ccncc4)c([C@H]4CCCNC4)nc23)cn1 60327275 JZUAYXXMLDWSQX-AWEZNQCLSA-N 374.452 2.241 0 1 FEAF Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OC[C@H]2CCCN2C)co1 82070843 AOGWJYJHTPXHNZ-HUUCEWRRSA-N 371.437 2.406 0 1 FEAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCOCCc2cccc(F)c2)c1 40939986 AQFHFNHZQKRGMW-XLIONFOSSA-N 372.488 2.091 0 1 FEAF Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)OC[C@H]3CCCN3C)co2)cc1 82070818 ZEEJWJGBNMTYMW-GDBMZVCRSA-N 371.437 2.406 0 1 FEAF CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1)C(=O)COC 95895134 FGZZSXPQOAVEPM-KCZVDYSFSA-N 368.477 2.265 0 1 FEAF CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(=NC)[nH]c21 473134009 AROSNBZOCSWNQO-UHFFFAOYSA-N 352.442 2.174 0 1 FEAF NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2cc[nH]c12 299867978 ZACSPUGCHCKXGT-UONOGXRCSA-N 365.441 2.482 0 1 FEAF Cc1c(I)cnn1[C@H](C)c1nc2cc(N)ncc2[nH]1 587181899 HHTCHYGITVKYMJ-SSDOTTSWSA-N 368.182 2.259 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN[C@H](C(=O)O)C2)N1 587793291 NHTDUTXAZVFZDL-ZBVHDKTDSA-N 357.223 2.154 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1 587959398 MTKRNJYQVWGKCC-UHFFFAOYSA-N 373.434 2.031 0 1 FEAF O=C(O)[C@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586889749 MSXMQFZSIBKZOL-HTQZYQBOSA-N 358.194 2.079 0 1 FEAF CCCc1c(O)ccc2c1OC1(CCN(S(C)(=O)=O)CC1)CC2=O 587488874 SCGSRKMAOIMIOX-UHFFFAOYSA-N 353.440 2.104 0 1 FEAF Cc1ccc(NC(=O)[C@@H]2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C 1772636596 HWDZSUDZPNEAPB-OAHLLOKOSA-N 351.362 2.141 0 1 FEAF C[C@@H]1[C@H]2C[C@@]34COC(=O)C3=C[C@H]3O[C@H]3[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2 169643040 CRALZLCKASXERO-WZWCNPTHSA-N 356.374 2.359 0 1 FEAF CCOc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cccnc3)C(=O)C[C@@H]12 1857647072 BBAAYLOLSSWBTC-OAHLLOKOSA-N 365.389 2.086 0 1 FEAF O=c1c(-c2cc[nH]n2)n[nH]c2c(-c3cccc(Br)c3)cnn12 1857653249 HZBKFFYKUIDIKI-UHFFFAOYSA-N 357.171 2.237 0 1 FEAF CC[C@H]1C(=O)O[C@@H]1C1=C(Br)C(=CBr)OC1=O 2356307049 WLOLFHPXUWXMQJ-VHWMUFPASA-N 351.978 2.380 0 1 FEAF c1cc2[nH]nc(-c3cnn([C@H]4CCOC4)c3)c2c(OC2CCOCC2)n1 114749653 SOJQRAOMVSSHID-ZDUSSCGKSA-N 355.398 2.341 0 1 FEAF NCCN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 22944405 OSRMBLYTVLCJBF-HZPDHXFCSA-N 352.390 2.299 0 1 FEAF CN[C@H]1CCC2=C[C@H](OC)[C@H](OC)C(OC)=C2c2ccc(OC)c(=O)cc21 27712036 NESSNBSJHKOKKH-QSFXBCCZSA-N 373.449 2.437 0 1 FEAF COc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1 35982936 JZXUXPRHDPKHEU-UHFFFAOYSA-N 368.481 2.422 0 1 FEAF O=C1c2cc3c(cc2OCN1CCc1ccncc1)C(=O)N1CCC[C@H]1O3 72170885 DDTASBZECGUTCI-GOSISDBHSA-N 365.389 2.071 0 1 FEAF COC(=O)[C@@]1(Cc2ccccc2)COC(c2ccc(OCCCO)cc2)=N1 36375615 FQANEDUFVPIDDO-OAQYLSRUSA-N 369.417 2.379 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)CO 82209275 JJIBTNFXXNRHAW-XGNIVQRQSA-N 366.502 2.016 0 1 FEAF CCS(=O)(=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586923064 XIWXMYZDIBZMDU-UHFFFAOYSA-N 357.391 2.354 0 1 FEAF COCCN1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583772 URHTYJJCIRSJDD-XLIONFOSSA-N 355.390 2.445 0 1 FEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCS(=O)(=O)C2 587614675 UJAJOWLWSJLCFU-MAUKXSAKSA-N 360.387 2.301 0 1 FEAF O=C(CC(F)(F)F)N1CCC(c2nnn3cnc4[nH]ccc4c23)CC1 1772618861 HUYBEZVKAVEEFY-UHFFFAOYSA-N 352.320 2.264 0 1 FEAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CN[C@@H](CO)C2 13607010 YTBGBMPLINFTBQ-OAHLLOKOSA-N 352.843 2.147 0 1 FEAF in-vivo OCCN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 13907298 PCDQEOQFNHGVCX-HZPDHXFCSA-N 353.374 2.333 0 1 FEAF CCOC(=O)CN1CCC2(CC1)c1ccccc1[C@@H](N1CC=CCC1)[C@@H]2O 19225133 WDEDZLJMFIAXGY-RTWAWAEBSA-N 370.493 2.261 0 1 FEAF Cc1cc2nc(O)[nH]c2cc1-c1cc(F)cc2c(=N)c(C(N)=O)c[nH]c12 1857557174 OBNDBTWHRUOWOS-UHFFFAOYSA-N 351.341 2.443 0 1 FEAF COc1ccc(NC(=O)C2=C3c4ccccc4S(=O)(=O)N3CC2)cc1 39933099 QRIIVRGHLZNKPO-UHFFFAOYSA-N 356.403 2.453 0 1 FEAF COc1ccc([C@H]2Oc3cc(O)c(OC)c(O)c3C(=O)[C@H]2OC)cc1O 2356420471 CCWSQXBMKLEALQ-SJLPKXTDSA-N 362.334 2.152 0 1 FEAF COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 2491978 PSFOYIXGVAQCJD-KRWDZBQOSA-N 362.470 2.387 0 1 FEAF COc1ccc(CNc2nc(NCCO)nc3c2ncn3C(C)C)cc1 26467348 COIFTEWWRSJCPW-UHFFFAOYSA-N 356.430 2.432 0 1 FEAF CCC(CC)NC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc(C)cc1 73168889 OZIJOODQXPEDBJ-UHFFFAOYSA-N 364.471 2.448 0 1 FEAF COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 95894668 MGHMIPQLSFYHQM-IRFCIJBXSA-N 352.434 2.009 0 1 FEAF C[C@H](/C=C/[C@H](CO)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C 143539464 DPLUBJMWMWJWLE-NURHRALHSA-N 364.482 2.351 0 1 FEAF COc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1ccccc1 299831148 XYMNXAJTXYLPPF-LJQANCHMSA-N 367.401 2.459 0 1 FEAF CCNC(=O)CCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587230113 HRWBCYZGOUFVHS-UHFFFAOYSA-N 354.204 2.181 0 1 FEAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(NCC(=O)O)nc1)CC2=O 587470805 OOXGOUXTMANKCP-OAHLLOKOSA-N 357.366 2.338 0 1 FEAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCC(N)=O 587866777 PFFXONFMNPOMDS-UHFFFAOYSA-N 372.372 2.176 0 1 FEAF COc1cc(Cl)cc(C=O)c1OCc1nc2c(O)nc(S)nc2[nH]1 587066850 IJMKHSLOSKGZLI-UHFFFAOYSA-N 366.786 2.401 0 1 FEAF CC(C)n1nc(NC(=O)c2cc(-c3ccco3)on2)c2c(N)ncnc21 1772627433 OBFTWFRCWUPUHV-UHFFFAOYSA-N 353.342 2.490 0 1 FEAF N[C@@H](Cc1ccccc1)C(=O)C[C@@H](CC(=O)OCc1ccccc1)C(=O)O 13582877 ZMRMCIYQNRNQDF-ROUUACIJSA-N 369.417 2.350 0 1 FEAF Cn1c(=O)c2cccc(Cl)c2c(=O)n1CCCNC(=O)OC(C)(C)C 169350364 WJFKSKAFDHLJPY-UHFFFAOYSA-N 367.833 2.268 0 1 FEAF Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(C(C)C)c4C3)ncnn12 169711722 LPYZVAAZANCDBC-OAHLLOKOSA-N 367.457 2.277 0 1 FEAF CN1C[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1=O 205473572 SFXKIJRUYJVHCF-PJUBBZNESA-N 356.466 2.311 0 1 FEAF CCN(CCCN1C=CN(C)/C1=C\N=O)S(=O)(=O)c1ccccc1 209132643 OPQOBMLSKYAIJZ-JQIJEIRASA-N 350.444 2.371 0 1 FEAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@H]4CCCCN4)c(=O)n1c23 1857571618 QIMVMRUZAKQGGD-BXUZGUMPSA-N 373.428 2.225 0 1 FEAF CC(C)(C(=O)O)[C@@H]1CC[C@@]23OC(=O)[C@@](C)(CC[C@@H]2[C@@]1(C)CC(=O)O)[C@@H]3O 2356467936 KTIYLKYZGCWKLT-SPBKSFASSA-N 368.426 2.061 0 1 FEAF CCN1CCC[C@H]1CNC(=O)c1c(Br)ccc(O)c1OC 64453468 OFDBZTWNYSKFOY-JTQLQIEISA-N 357.248 2.377 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O 82220222 INOVOIWPFWKELS-XZEJIFCLSA-N 366.502 2.016 0 1 FEAF CCCCOc1nc(N)c2nc(O)n(Cc3ccccc3C(=O)OC)c2n1 49066864 ZRRHQWBZDCNYOI-UHFFFAOYSA-N 371.397 2.128 0 1 FEAF O=C(N[C@H]1CCCc2ccccc21)c1nc(-c2cnccn2)nc(O)c1O 84711984 MVYKMGXMZLCRQL-ZDUSSCGKSA-N 363.377 2.152 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CN(C)C[C@@H]4C)ncc23)ccn1 261186162 XMZFCJMQTJCRIA-ZBEGNZNMSA-N 365.441 2.400 0 1 FEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Cl)nc(Cl)c2[nH]1 587202041 BAZLPGDDTRKSRJ-MRVPVSSYSA-N 358.229 2.344 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@H]32)N1 587799796 YRTJZWNKUMAAGA-YHYYWIDTSA-N 369.234 2.010 0 1 FEAF COC(=O)C(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587804285 DLGUFMYNINISPF-ANRSDYALSA-N 358.207 2.470 0 1 FEAF COC(=O)c1ccc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2n1 587246909 JWEWJWHQKTZDIY-LJQANCHMSA-N 352.394 2.096 0 1 FEAF CC(=O)[C@@H]1CO[C@@H](O)[C@]2(O)[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 169637768 XSCQMBRUSKHLQE-DDKLBDGZSA-N 364.482 2.185 0 1 FEAF CC=C(CO)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(O)C[C@H]2C1 2356403828 VRERLMSQAWCFOO-LFFBYDMRSA-N 364.438 2.245 0 1 FEAF COc1ccc(-c2noc([C@H](C)NC(=O)c3cnccn3)c2C(=O)O)cc1 2356300449 WSHJUDKPJHOMJL-JTQLQIEISA-N 368.349 2.329 0 1 FEAF CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N\c2ccc(C)c(C)c2)CC1 102712723 IQQDQWHECQUMRV-ICZBVKINSA-N 371.437 2.344 0 1 FEAF COC(=O)[C@@]1(OC)OC(=O)C(c2ccc(O)cc2)=C1c1ccc(O)cc1 2356405487 VCFBERSLVWUTOR-IBGZPJMESA-N 356.330 2.081 0 1 FEAF C[C@@H](O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356433373 ICLJUDISOCRJDM-HPLPVRPRSA-N 352.515 2.473 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@]2(O)C(=O)CC[C@@H](C)[C@]12C 2356507887 JRRUBQLITXADFJ-DJLSRIIJSA-N 360.406 2.372 0 1 FEAF O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1ccc2nsnc2c1 113894569 QNIMPEFZOBTPAU-AWEZNQCLSA-N 350.363 2.365 0 1 FEAF O=C(NCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1)c1cnccn1 1911572944 HTZQUIXNDNTGMM-UHFFFAOYSA-N 362.315 2.065 0 1 FEAF O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3c1OCO3)[C@H]2O 85953904 SAALZFZQLFTOGM-CRAIPNDOSA-N 366.325 2.176 0 1 FEAF biogenic O=c1c(-c2nc3c(O)nc(O)nc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587172935 NWVYGFUYZHEYEP-UHFFFAOYSA-N 371.303 2.359 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587232491 XVLFRJUDHPZXNN-NWDGAFQWSA-N 363.389 2.437 0 1 FEAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(O)nc(S)nc2[nH]1 587041581 ZCDQYAXJSPVREO-LURJTMIESA-N 355.445 2.330 0 1 FEAF Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)n1 1772605668 VSXQHGDYMVKVRR-AWEZNQCLSA-N 350.426 2.452 0 1 FEAF CCCCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)N(C)C4=O)cc1 13111122 RSXRKAGCCDDONS-XWTMOSNGSA-N 368.433 2.388 0 1 FEAF O=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1 13763548 BIYZZFJCFHPBTP-UHFFFAOYSA-N 350.783 2.498 0 1 FEAF CCCCCn1nnnc1[C@@]1(C)Cn2nccc2C(=O)N1Cc1ccco1 203465719 VKROCNZOFJOZJB-GOSISDBHSA-N 369.429 2.224 0 3 FEAF CC(C)COc1ccc(-c2ncc(C(=O)O)c(O)n2)cc1-n1ccnn1 1857567743 FGSCCDVMUJRRRF-UHFFFAOYSA-N 355.354 2.163 0 1 FEAF O=C(CSCCO)NCCCOc1cccc(CN2CCCCC2)c1 3780321 ZRVDLLKTYZXNAD-UHFFFAOYSA-N 366.527 2.283 0 1 FEAF investigational N[C@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 3800457 PFXDGXLZRNKZKL-VIFPVBQESA-N 363.364 2.240 0 1 FEAF OC[C@H]1O[C@@H](n2c(SCc3ccccc3)nc3cnsc32)C[C@@H]1O 27873851 SEUZVIGWVIDBIL-BFHYXJOUSA-N 363.464 2.426 0 1 FEAF CC(C)(C)C(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3cnccc3[nH]2)C1 2356302756 XTQCGXLERFMVDI-OLZOCXBDSA-N 358.442 2.486 0 1 FEAF COc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2c1c(=O)n(C)c(=O)n2C 100703228 QATBYUPHYWTESE-HNNXBMFYSA-N 367.405 2.307 0 1 FEAF CC(C)[C@H](N)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O 27733176 RKSYQYJUGAQEGE-MOPGFXCFSA-N 370.449 2.361 0 1 FEAF Cc1ccc(NC(=O)c2ncn(CCCNCCCN(C)C)n2)cc1C 61936017 LXIOTECVKDFZIG-UHFFFAOYSA-N 358.490 2.079 0 3 FEAF C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4C[C@@H](C)O[C@H](C)C4)[C@@H]3[C@@H](O)[C@]21C 504748181 AGRFRTKLCPEWTJ-PQRHHBHBSA-N 363.498 2.381 0 1 FEAF biogenic CC(C)CCN(C)Cc1cn(C[C@H](O)COC(=O)C2CCCCC2)nn1 73197195 JXIIGKAMINXKBI-SFHVURJKSA-N 366.506 2.240 0 1 FEAF O=C1[C@H]2CSCCS(=O)(=O)N2C(=O)N1c1cccc2ccccc12 72137682 GDQZIBYOZCRALP-CQSZACIVSA-N 362.432 2.054 0 1 FEAF Cc1cc(N)nc(C[C@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 40977389 NESZTSPBRDBHCW-PXNSSMCTSA-N 372.488 2.091 0 1 FEAF in-vitro O=C(N[C@H](CO)Cc1ccccc1)c1coc(-c2ccc3c(c2)OCO3)n1 82075249 MNVVYQMEGGWRCW-HNNXBMFYSA-N 366.373 2.404 0 1 FEAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(O)nc(N)nc2[nH]1 587189518 ATLWDCGLPPJVPQ-LBPRGKRZSA-N 370.413 2.597 0 1 FEAF COc1ccc(S(=O)(=O)Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 586920448 KKZBDAIBRFRZKU-UHFFFAOYSA-N 364.354 2.383 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)[C@](C(=O)O)(c1ccc(F)cc1F)NCC2 962929742 WOQVKNSLHBWZBY-IBGZPJMESA-N 360.360 2.141 0 1 FEAF Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccc([N+](=O)[O-])o2)s1 148074126 JBNCDQHBQJURMV-UHFFFAOYSA-N 354.329 2.499 0 1 FEAF Cc1ccccc1-c1nc(C[S@@](=O)CC(=O)N2CCOCC2)c(C)o1 5058121 IHMIJXRWVGKZKZ-VWLOTQADSA-N 362.451 2.066 0 1 FEAF C[C@@H](O)c1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1 12643603 GXIZPORZZXZSAK-MRXNPFEDSA-N 364.449 2.438 0 3 FEAF CC(=O)[C@@H]1CO[C@@H](O)[C@]2(O)[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 169637767 XSCQMBRUSKHLQE-BOKNCHGFSA-N 364.482 2.185 0 1 FEAF Cc1cc2c(cn1)CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 169711792 YZNASDMDYXCUPF-OAHLLOKOSA-N 350.426 2.203 0 1 FEAF O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 1857633800 BXEPLPXHIZXQSO-HNNXBMFYSA-N 364.398 2.145 0 1 FEAF CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)C1 4051808 MQADOESZRUHDOX-LNLFQRSKSA-N 367.405 2.108 0 1 FEAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1C[C@H](O)[C@@]1(CO1)[C@@H]2C/C=C1\CCOC1=O 38287809 NREPZLXPISUPRB-DGGZNQNZSA-N 350.455 2.203 0 1 FEAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 40670665 PAALMPCHQXIBEW-ITNWBQQISA-N 369.461 2.074 0 1 FEAF C[C@@H](C(=O)O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)OC[C@]21C(=O)C[C@H]2OC[C@@H]1C2(C)C 196025615 FRNXOFATEPQSTJ-LLMXYBMSSA-N 364.438 2.297 0 1 FEAF CCO[C@@]1(C(=O)OC)NC(=O)C(c2ccc(O)cc2)=C1c1ccc(O)cc1 238768202 RTIXIUHITOJLHG-FQEVSTJZSA-N 369.373 2.044 0 1 FEAF CN(Cc1nc2ccccc2s1)C(=O)C[C@@H]1NNC(=O)[C@@H]2CCCC[C@@H]12 618014993 HUBCVZXGQCMXIB-NFAWXSAZSA-N 372.494 2.454 0 1 FEAF Cc1sc2ncc(-c3ccnc(NC4CCN(C)CC4)n3)c(=O)n2c1C 299849422 KVYDYSSPJSIZSW-UHFFFAOYSA-N 370.482 2.336 0 1 FEAF Cc1nc(Br)sc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 587014865 RZCUTTAMPZESNQ-UHFFFAOYSA-N 373.257 2.405 0 1 FEAF COc1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Cl 587203941 NSGSAJYMXKIWJQ-LBPRGKRZSA-N 352.822 2.304 0 1 FEAF COc1ccc(OCCCCCC(=O)O)cc1Cc1cnc(N)nc1N 13471958 IHHWPKHCZVGDIM-UHFFFAOYSA-N 360.414 2.264 0 1 FEAF C[C@H](O)CC(=O)N1C(=O)c2c(cc3cccc4c3c2C(=O)N4C)C1(C)C 2356326384 WQIRGFAZJZHHBZ-JTQLQIEISA-N 352.390 2.418 0 1 FEAF COC(=O)NC[C@H](c1cccnc1)N1CCN(c2ccccc2OC)CC1 59833456 PVAUOICIBIHRDH-GOSISDBHSA-N 370.453 2.310 0 3 FEAF O=S(=O)(/C=C/S(=O)(=O)c1ccc(Cl)cc1)CC1=NCCS1 53242715 HFYBKMLVBSPWNU-BQYQJAHWSA-N 365.885 2.145 0 1 FEAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc(NC(C)=O)cc1 2356449168 DHKTYUHDGYDOMF-VYDXJSESSA-N 365.499 2.044 0 1 FEAF COc1cccc([C@@H](CN(C)C)Nc2ncnc3c(C(N)=O)cccc23)c1 114347216 ALLGNFRRMBCRHD-QGZVFWFLSA-N 365.437 2.452 0 1 FEAF CC(C)NC[C@@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O 2356596719 ONQRAODOWPZCMU-WDSOQIARSA-N 351.491 2.110 0 1 FEAF COc1cc(O)c2c(c1OC)O[C@@H](c1ccccc1OC(C)=O)[C@H](O)C2=O 14643385 AOIYAWYKBDWNBB-SJORKVTESA-N 374.345 2.012 0 1 FEAF biogenic CCOc1ccc(S(=O)(=O)NC[C@H]2CCCN2CC)c2cccnc12 34859972 ZIFTWCKTSOPRPK-CQSZACIVSA-N 363.483 2.396 0 1 FEAF COc1ccc(CN2CCC[C@@H](O)[C@H](NC(=O)c3ccc(O)cc3)C2)cc1 15672237 VSVFHZOTKZOVAD-WOJBJXKFSA-N 370.449 2.156 0 1 FEAF biogenic NC[C@@H]1CNC(=O)c2cc(-c3ccnc(-c4cnc5ccccc5c4)c3)nn21 71333261 ZAVPLUDVERDQKO-MRXNPFEDSA-N 370.416 2.404 0 1 FEAF Cc1c(N2C[C@@H](C)N[C@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 49804028 CBANIYKPNRKAQE-GHMZBOCLSA-N 370.453 2.112 0 1 FEAF CC1(C)Oc2c(O)cc([C@@H]3CC(=O)c4ccc(O)cc4O3)cc2[C@@H](O)[C@@H]1O 40863307 CKBIVADBUPGTKI-WDYCEAGBSA-N 372.373 2.370 0 1 FEAF biogenic CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(C(OC)OC)CC2=O 587478768 HCRCXHVEJPWFEG-SFHVURJKSA-N 352.383 2.231 0 1 FEAF COCC(=O)Cc1nc2c(Br)cnc(Br)c2[nH]1 587563281 QGXBISZWTYQORW-UHFFFAOYSA-N 363.009 2.241 0 1 FEAF CCOC(=O)[C@H](NC(C)=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587514346 WPWLXKALDLSRNN-ICSRJNTNSA-N 359.422 2.357 0 1 FEAF COc1ccc2c(c1OC)[C@]1(CC[C@H]3[C@@H](C(=O)O)NC[C@@H]3C1)N(C)[C@H](C)C2 962575102 VOMPILDJXDPJGK-LARZSYTMSA-N 374.481 2.248 0 1 FEAF COc1cc(O)c2c(c1OC)O[C@@H](c1ccccc1O)[C@H](OC(C)=O)C2=O 14643395 KWSYXBWUMWEBHH-QFBILLFUSA-N 374.345 2.363 0 1 FEAF biogenic NC(=O)[C@@H](Sc1nc(N)cc(O)n1)c1nc(-c2ccccc2)cs1 1857750786 KHAAUYFNVODMSQ-GFCCVEGCSA-N 359.436 2.207 0 1 FEAF CC(C)C[C@H](c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1 4875354 RCIPRJKOHCAEDM-GOSISDBHSA-N 370.501 2.200 0 3 FEAF COc1ccc(CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 27554198 YIYGQDVHHSGAPM-UHFFFAOYSA-N 371.462 2.312 0 1 FEAF C[C@H]1CN(C(=O)[C@@H](C)N2CCN(c3ccccc3Cl)CC2)C[C@H](C)O1 57378801 QZSPCUHRAOVRIO-HRCADAONSA-N 365.905 2.486 0 1 FEAF OC[C@H]1O[C@H](n2cnc3c(NC4CCCCC4)cc(Cl)nc32)C[C@@H]1O 27322179 VKAISMJLRZBFEC-GUTXKFCHSA-N 366.849 2.470 0 1 FEAF COC(=O)[C@@H](CCSC)NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 64231973 YFYFWXYZAJMMRC-SBRPLTKKSA-N 363.435 2.396 0 1 FEAF N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@@H](OC(=O)Nc2cccc(F)c2)C1 27994058 IWXJNMIPPGJIDW-GLQYFDAESA-N 367.446 2.403 0 1 FEAF CCc1ccccc1OCCNCCCCN1C(=O)[C@@H]2CCCN2C1=O 38214789 FRCYSERZNGTJQN-KRWDZBQOSA-N 359.470 2.424 0 1 FEAF COc1cc(C[C@@H]2CO[C@@H](O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O 14642246 AQTZWMJGAOIWFV-STXHMFSFSA-N 360.406 2.481 0 1 FEAF biogenic CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2[nH]c1=O 222378548 QVQNZMJSTKPJKL-UHFFFAOYSA-N 351.410 2.415 0 1 FEAF C[C@@]12c3ccc4c(c3CN[C@@H]1c1cc3c(cc1C[C@H]2O)OCO3)OCO4 85509395 URURFJJXWHZUAJ-RLLQIKCJSA-N 353.374 2.163 0 1 FEAF biogenic,in-vitro C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H]4C[C@H](O[C@@]4(C)[C@H]1O)[C@]32O 197843309 SGRXKDSYPFTIOV-RIEWYAQUSA-N 350.455 2.337 0 1 FEAF c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4ncccn4)CC3)CC2)nc1 253793068 VFYMYMGVYBHBAW-IYARVYRRSA-N 367.501 2.450 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C[C@H](C)[C@H](C(=O)O)[C@H](C(=O)O)C1)[C@@H](C2)C3=O 587450630 NSFFQQNAJWNMMU-VRYGLYMUSA-N 360.362 2.013 0 1 FEAF CNS(=O)(=O)Cc1ccc(-n2ncc3ccc(Cl)cc3c2=O)cc1 587654091 HQMGPAGRKSTXGO-UHFFFAOYSA-N 363.826 2.088 0 1 FEAF COC(=O)[C@@]1(c2ccccc2)CCc2nc3nc(O)nc(O)c3cc2C1 587560021 TYXXOTFIIYZFFG-IBGZPJMESA-N 351.362 2.036 0 1 FEAF Cc1cc2c(cc1O)[C@H](c1ccc3oc(=O)ccc3c1)N[C@H](C(=O)O)C2 963554343 ULRLKBJTYDCAHQ-KXBFYZLASA-N 351.358 2.495 0 1 FEAF COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3[nH]cnc3C)C2)c1 11935147 KOGAACTVCIVONP-OAHLLOKOSA-N 372.469 2.377 0 1 FEAF COCC(=O)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1 837994 HMWHTDGHXSPIKD-UHFFFAOYSA-N 354.454 2.163 0 1 FEAF Cc1nc2c(C(=O)NCCN(C)C)cnn2c(C)c1Cc1ccc(F)cc1 3041608 FESVLPGILYSXDL-UHFFFAOYSA-N 369.444 2.367 0 1 FEAF CN[C@@H]1CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C[C@H]1C 6520996 HTPFAXVZLDPCJG-QLJPJBMISA-N 373.428 2.367 0 1 FEAF COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(C)cc32)c1C 103248023 OWWOVESWHWBLEI-UHFFFAOYSA-N 357.389 2.199 0 1 FEAF CNc1ccc(C(C)(C)C(=O)N[C@H]2[C@H]3CC4C[C@@H]2C[C@](C(N)=O)(C4)C3)cn1 100075721 TUJYKUDQFPOWHV-GWYFNAPASA-N 370.497 2.197 0 1 FEAF CCOC(=O)[C@@H]1[C@H](O)[C@@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 2356612200 XETGZIYAYIKTDY-BMHRSWJNSA-N 366.461 2.067 0 1 FEAF Nc1c(-c2nc3cc(N4CCOCC4)ccc3[nH]2)c(=O)[nH]c2ccccc12 36176819 JZGWDENJLOXKLZ-UHFFFAOYSA-N 361.405 2.490 0 1 FEAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(CO1)[C@@H]2C/C=C1/C(=O)OC[C@H]1O 34640725 RAQQINDVFHKETO-VBCIHFGESA-N 350.455 2.203 0 1 FEAF CNc1nc2cc3c(=O)[nH]c(N)nc3c(CCNCC3CCCCC3)c2[nH]1 39195957 ZKRVOXSNLYAMLM-UHFFFAOYSA-N 369.473 2.136 0 1 FEAF in-vitro C[C@@H]1[C@H](O)C[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H]2O[C@@H]21 85693200 PMMSZUFGIVTEBM-OQVXLZITSA-N 364.438 2.499 0 1 FEAF C[C@@H]1C[C@H]2O[C@H](O)[C@H]3CCC[C@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@]32CO 199928930 BHFWXYKMRNUVDQ-NFLROPNOSA-N 362.422 2.406 0 1 FEAF CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 82195969 JBPHCRCTEWQLHF-UHFFFAOYSA-N 356.451 2.209 0 1 FEAF Nc1ncc(-c2ccc(C3(c4noc(-c5cnccn5)n4)CCC3)cn2)cn1 96175534 JRRODXDDCGNNDP-UHFFFAOYSA-N 372.392 2.431 0 1 FEAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(CC2CC2)C1 95867630 PFNDYBSFPBFGAZ-GOSISDBHSA-N 355.482 2.129 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CS(C)(=O)=O)N1 587849463 LVKCAIDAWYKWKN-ISVAXAHUSA-N 350.253 2.382 0 1 FEAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(OC)nc3[nH]2)cc1 587229055 ZNTHRWWAHBIZDM-UHFFFAOYSA-N 369.381 2.465 0 1 FEAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](NC(C)=O)C(=O)OCC)CC2=O 587472169 YBUSTRHXGZXTFB-IEBWSBKVSA-N 363.410 2.136 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN[C@H](C(=O)O)C2)N1 587793287 NHTDUTXAZVFZDL-AFEMSUNCSA-N 357.223 2.154 0 1 FEAF COc1cncc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c12 587024269 SBKHMVCSCOZKOI-UHFFFAOYSA-N 362.415 2.756 0 1 FEAF CN1C(=O)C[C@@H]2CN[C@@H](CN3C(=O)COc4ccccc43)c3cccc1c32 963018983 DEGYCBVRFOWBHH-HIFRSBDPSA-N 363.417 2.207 0 1 FEAF COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2)C(=O)O)cc1 13442210 IVEGINTXWDPMHK-ROUUACIJSA-N 368.433 2.226 0 1 FEAF CCOC(=O)CNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21 13824841 HUWVKZVLNZAENJ-UHFFFAOYSA-N 372.812 2.431 0 1 FEAF Cc1ccc(C(c2ccc(C)c(C)c2)[C@@H](O)[C@@H]2OC(=O)[C@@H](O)[C@@H]2O)cc1C 17020646 ASVMLLDTIZTDOP-ANULTFPQSA-N 370.445 2.060 0 1 FEAF O=C1CC[C@H]2COc3ccc(Cc4n[nH]c(=O)c5c4CCCC5)cc3N12 169179109 ZEUAZPMXRODXMI-ZDUSSCGKSA-N 351.406 2.127 0 1 FEAF COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1OC 169294080 YJWKFEOPTCAJCT-XZXMTGPRSA-N 353.418 2.299 0 1 FEAF Cc1cn([C@H]2C[C@H](N)[C@@H](CSc3ccc(Cl)cc3)O2)c(=O)nc1O 1857636073 WENMSWFRBSMCOW-BFHYXJOUSA-N 367.858 2.318 0 1 FEAF COc1cc2oc(C)cc(=O)c2c(O)c1COC(=O)C=C(C)CC(=O)O 2356473563 JSLBEJMNMZJONS-UHFFFAOYSA-N 362.334 2.280 0 1 FEAF C[C@]12OC(=O)[C@@]34CC[C@H]5[C@@](O)(CC=C6C[C@@H](O)CC[C@@]65C)[C@]3(CC[C@H]14)O2 2356501280 UDUOIVXSFRUATN-WVIDUPSYSA-N 360.450 2.447 0 1 FEAF CC(=O)OCCC(=O)[C@@H]1[C@@H]2CC[C@H](COC(C)=O)C[C@@H]2C=C[C@@]1(C)O 2356790751 FYDYUINNZWREDS-MQOOWTBDSA-N 352.427 2.041 0 1 FEAF COc1cccc(S(=O)(=O)c2cccc3oc(N4CCNCC4)nc23)c1 40862430 JEGFNIPTHRCNHC-UHFFFAOYSA-N 373.434 2.079 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C 257694458 YOQIGAVHLYFIAF-WSMJWVRHSA-N 364.438 2.243 0 1 FEAF endogenous,in-man CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)c1 586936555 RZERYFZLZIVEPH-UHFFFAOYSA-N 373.438 2.129 0 1 FEAF COc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)n1 587747650 RAQSNAAGNGQOKZ-CPFSXVBKSA-N 367.222 2.593 0 1 FEAF CCOC(=O)C(C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1)C(=O)OCC 587399473 KDOOSDFXYIDALD-IBGZPJMESA-N 363.410 2.434 0 1 FEAF CC(C)(C)OC(=O)N1C[C@@H]2CCc3cc4c(O)nc(O)nc4nc3[C@H]2C1 587559298 WYXHVGLSENTXQI-JQWIXIFHSA-N 358.398 2.333 0 1 FEAF COC(=O)COc1c(OC)cccc1[C@@H]1NCCc2c(C(=O)O)cccc21 963119245 DDFDQUMXHFCVDE-GOSISDBHSA-N 371.389 2.180 0 1 FEAF CCCSc1nc(NCc2ccc(OC)cc2)c2nnn(CCO)c2n1 1772653956 LNTXHEFPOCUDLF-UHFFFAOYSA-N 374.470 2.336 0 1 FEAF C/C=C1\CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC 13309666 XLHUHYFKFFGUFE-HJSXUZEXSA-N 352.434 2.216 0 1 FEAF Cn1ccc2cc(-c3cnc(C(=O)N[C@@H]4CCN(C#N)C4)c(F)c3)cnc21 1857592174 SCWRPIOZZNFBHK-OAHLLOKOSA-N 364.384 2.060 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC=C2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@H]1C 2356434547 VNQVNYIPOUGYKN-PGKZWWCTSA-N 362.422 2.163 0 1 FEAF O=C1c2ccc3ccoc3c2O[C@@H]2COc3cc4c(cc3[C@@]12O)OCO4 2356477309 RFBAPRONSCOSFV-BEFAXECRSA-N 352.298 2.385 0 1 FEAF CCCCN(C)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C 6736893 SPQFNJSGLJITTH-UHFFFAOYSA-N 368.481 2.492 0 1 FEAF Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2CC1CCNCC1 8581945 WXCKXLFOEBUZDO-UHFFFAOYSA-N 358.833 2.434 0 1 FEAF CN(CCc1ccccc1)CC[C@@H]1CC[C@H](O)[C@H](C(=O)N2CCCC2)O1 2356819338 FBMDCRHSXJKUKO-SLFFLAALSA-N 360.498 2.082 0 1 FEAF O=C1NCCN1c1ccc(S(=O)(=O)Oc2cc(F)cc(F)c2)cc1 72107575 BACKLJAWZQIKTE-UHFFFAOYSA-N 354.334 2.262 0 1 FEAF C[C@H]1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2ccccn2)C1 222447082 JARTYEPYHDKVNL-FUHWJXTLSA-N 367.449 2.139 0 1 FEAF Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C 144752123 XPMQHFCRHLGQEA-UHFFFAOYSA-N 363.377 2.421 0 1 FEAF COc1cc(C[C@@H]2COC(=O)[C@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O 43059546 ZZSOKNNVDKKSDE-UPRAQXHNSA-N 374.389 2.180 0 1 FEAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3nnnn3C)cc1)O2 587392627 ULVKZGHZYCVTJC-KRWDZBQOSA-N 365.393 2.386 0 1 FEAF NS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 586930754 XJBUQOOEXODBSL-UHFFFAOYSA-N 370.356 2.409 0 1 FEAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587043664 SOKWSRQMECGDOF-GFCCVEGCSA-N 369.468 2.430 0 1 FEAF COc1ccc2c(c1OC)[C@@](C)(c1cc(C(N)=O)n(C)c1)N(C)[C@H](C)C2 962575090 VNWQCIGCSZGIDW-MPBGBICISA-N 357.454 2.281 0 1 FEAF COc1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)[C@H](C(N)=O)C(C)=N3)cc1 169687665 MTBDOMHZZQSUJH-CVEARBPZSA-N 362.393 2.146 0 1 FEAF CC(=O)Oc1ccc2c(c1)c1c(O)oc(=O)nc1n2Cc1ccccn1 169721494 MRYZPJUCYNYMDS-UHFFFAOYSA-N 351.318 2.217 0 1 FEAF CCC(=O)[C@@H](C)[C@]1(O)C(=O)c2c(O)cc(C)c3c(OC)cc(O)c(c23)C1=O 1857645863 LZWUPSJLPSHLRU-YBYGRFCBSA-N 372.373 2.293 0 1 FEAF CN=c1ncc(CN2CCC[C@H](c3nc(O)cc(-c4ccco4)n3)C2)c[nH]1 1857758860 FJJXIRKFCYYGSL-AWEZNQCLSA-N 366.425 2.075 0 1 FEAF O=C(c1ccc(-n2cnc3cccnc32)cc1)N1CCC2(CC1)OCCO2 6900680 SOLNENRKNLLMKU-UHFFFAOYSA-N 364.405 2.400 0 1 FEAF O=C(COc1ccccc1)N1C[C@@H](F)[C@H](OCc2nc3cccnc3[nH]2)C1 2356299012 QYFQIVGGJUDPPF-GDBMZVCRSA-N 370.384 2.102 0 1 FEAF C1=C[C@H]2NC=C[C@@H]2C(OC2CCN(c3ccc(-n4ccnc4)nn3)CC2)=C1 101310867 UJIMAOCGCGNVGP-DLBZAZTESA-N 362.437 2.203 0 1 FEAF CN[C@H]1CCC2=C[C@@H](OC)[C@@H](OC)C(OC)=C2c2ccc(OC)c(=O)cc21 27712022 NESSNBSJHKOKKH-QKYXUNIQSA-N 373.449 2.437 0 1 FEAF CC[C@@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3cc(OC)ccc3nc2-1 26658262 XAQKCDAFPAOWPB-NRFANRHFSA-N 362.385 2.157 0 1 FEAF CN(C)[C@@]1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 28821283 BOXRBFJLKOMZNE-IBGZPJMESA-N 352.450 2.304 0 1 FEAF COc1ccc(C=Cc2ccc3c(c2)C(=O)N2CC[C@@H](N)[C@H]2C(=O)N3)cc1 2356851070 QDXPXKLBFDHUCR-MJGOQNOKSA-N 363.417 2.360 0 1 FEAF Nc1ccccc1-c1nnc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1 43012931 TUWLDANWZMGBIW-UHFFFAOYSA-N 365.393 2.408 0 1 FEAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2C1COC1 1911574975 SZUOJVXCJRHSFW-UHFFFAOYSA-N 352.276 2.186 0 1 FEAF CCc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(Cc3ccccc3)n2)cc1 96282736 GALGVCVIHIDPGV-UHFFFAOYSA-N 373.416 2.115 0 1 FEAF COc1cc(C[C@@H]2COC(=O)[C@@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O 43059542 ZZSOKNNVDKKSDE-ZNZDAUKMSA-N 374.389 2.180 0 1 FEAF biogenic CN(C)/C=C1\c2nc3nc(O)nc(O)c3cc2CCN1C(=O)OC(C)(C)C 587557129 GPUWILNGLBYJFC-FMIVXFBMSA-N 373.413 2.089 0 1 FEAF O=C(c1c(CO)oc2cc(Br)cnc12)c1cnn2cccnc12 587276260 KUECJUNSTGHGEL-UHFFFAOYSA-N 373.166 2.356 0 1 FEAF O=C(NCc1nc2ccc(Br)c(O)c2[nH]1)c1cscn1 587028478 QLPDMWPSNVOOJL-UHFFFAOYSA-N 353.201 2.418 0 1 FEAF COc1nccnc1[C@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962656241 ACKGNLQZLLEICD-OXQOHEQNSA-N 364.405 2.221 0 1 FEAF Cn1cnc2cc([C@@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)cnc21 963237196 WYEYLVMKPYAZFH-ROUUACIJSA-N 359.389 2.205 0 1 FEAF CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N)c2cn1)c1ccc(F)cc1 1772617166 WYTIMQUAVHENJN-AWEZNQCLSA-N 358.377 2.313 0 1 FEAF COC(=O)C[C@H](Nc1nc2nc(C)cc(=O)n2[nH]1)c1cccc(Cl)c1 1772619319 NTXDNSLRXYIBNE-LBPRGKRZSA-N 361.789 2.096 0 1 FEAF O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCCC1=CCCCC1 12372722 AIGMKTZNBGOLFB-LJQANCHMSA-N 355.482 2.384 0 3 FEAF C/C=C/C=C/C(=O)Nc1ccc2c(c1)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C 13493066 PQQVRAWOCLFDJN-WBMGHNGNSA-N 371.481 2.251 0 1 FEAF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@@H]2C(=O)N(C)C(=O)[C@H]21 1857558494 KOZKGCYTRIIXBI-ZQIUZPCESA-N 364.338 2.421 0 1 FEAF CN(CCO)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 766657 AEPLDHZRBFDOPD-UHFFFAOYSA-N 356.451 2.180 0 1 FEAF O=C(O)C[C@H]1OCC=C2CN3CC[C@]45c6ccccc6N[C@H]4[C@H]1[C@H]2C[C@H]35 1711028 SQIFUSVCLFHGOI-KRCNFQFXSA-N 352.434 2.242 0 1 FEAF Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2[C@@H](O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100520329 RMTYNAPTNBJHQI-AFIMGQEJSA-N 366.483 2.169 0 1 FEAF in-man Cc1cccnc1N1CCN(CCCCN2C(=O)CC(C)(C)CC2=O)CC1 27712598 WECVLPMJJAUVSU-UHFFFAOYSA-N 372.513 2.467 0 1 FEAF CC(C)[C@H](NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12)C(=O)O 27557561 USENGJSTUFPBKK-LBPRGKRZSA-N 367.199 2.339 0 1 FEAF COc1cc(C=CC(=O)NCCc2cc(OC)c(O)c(OC)c2)ccc1O 2356546132 BDRTZXBHPMDADX-UHFFFAOYSA-N 373.405 2.496 0 1 FEAF CS(=O)(=O)c1ccc(C2=NN(C(N)=S)[C@@H](c3ccccc3)C2)cc1 66251051 QCLMXDMMJFZLEK-MRXNPFEDSA-N 359.476 2.485 0 1 FEAF N[C@@H](Cc1ccccc1)C(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)O 49113873 MPANLEGTVMDUAE-LPHOPBHVSA-N 363.417 2.076 0 1 FEAF O=C(N=c1cc[nH]cc1)C(=O)Nc1c(C(=O)c2ccco2)[nH]c2ccccc12 1911572847 XEVDMCRCZPGSQV-UHFFFAOYSA-N 374.356 2.386 0 1 FEAF CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)SC[C@@H]2CCCN32)C(=O)O1 40566978 DYUJNISUODJHLX-AAEUAGOBSA-N 365.430 2.362 0 1 FEAF COCCCNc1ncc(C(=O)NCCOC)c(-c2ccc(F)cc2)n1 82141303 UIMKPURWNNRVPE-UHFFFAOYSA-N 362.405 2.107 0 1 FEAF O=C1C=CC[C@H](/C=C/C[C@@H]2C[C@@H](O)[C@H](O)[C@@H](/C=C/c3ccccc3)O2)O1 84154392 ITOWMYXEGADZIR-UESVRFDQSA-N 356.418 2.397 0 1 FEAF biogenic,in-vitro OCCS[C@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@@H]1O 238760453 VKKARASAKMNKCK-BBWFWOEESA-N 350.392 2.065 0 1 FEAF N=c1[nH]cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc-2[nH]1 587000463 KJCBXTLMMOWZLU-JTQLQIEISA-N 372.230 2.203 0 1 FEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(S(C)(=O)=O)cc2[nH]1 587223781 GBSBHYVQJLUROC-LBPRGKRZSA-N 373.434 2.050 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C=C(C)N(CCCC(=O)O)C(=O)C1)[C@@H](C2)C3=O 587437525 JHIAAMRHEMHUEL-XOBRGWDASA-N 371.389 2.182 0 1 FEAF COC(=O)c1cc(Br)c2[nH]c(/C=C\S(C)(=O)=O)nc2c1 586923753 UJZUVWYDZYIZPG-ARJAWSKDSA-N 359.201 2.127 0 1 FEAF N=C(N)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 587193384 ITLDPYZMQIKUPY-UHFFFAOYSA-N 365.437 2.366 0 1 FEAF C[C@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)C=C(c2ccccc2F)NO1 587157878 VBSFLRJKXZSULJ-GOSISDBHSA-N 363.356 2.469 0 1 FEAF CN1C(=O)C[C@H]2CN[C@H](CN3C(=O)COc4ccccc43)c3cccc1c32 963018981 DEGYCBVRFOWBHH-DZGCQCFKSA-N 363.417 2.207 0 1 FEAF COc1cc(CCNC(=O)/C=C/S(C)(=O)=O)ccc1OCC=C(C)C 13431344 FPQKZLMPABOCHA-FMIVXFBMSA-N 367.467 2.257 0 1 FEAF biogenic,in-vitro CCOc1cc(CNC(=O)CC)ccc1OC[C@@H](O)CNC(C)(C)C 169335445 BJBHXJBTKBZUJW-HNNXBMFYSA-N 352.475 2.239 0 1 FEAF Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccnc2)c1 201488679 LHNGVCRSKVWRIE-KRWDZBQOSA-N 359.451 2.490 0 3 FEAF CNC(=O)[C@H](CC(C)C)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 207357972 JRGRNZVIXUACGG-AWEZNQCLSA-N 360.458 2.033 0 1 FEAF CN(CCCOc1ccc(Cc2ccccc2)cc1)CCS(N)(=O)=O 13475312 OTPIPTVNDASPPG-UHFFFAOYSA-N 362.495 2.267 0 1 FEAF CC1CCC(C(=O)N[C@H](C(=O)N2CCC3(CC2)OCCO3)C(C)C)CC1 2601561 XCDYKUMVAFNGID-JCYILVPMSA-N 366.502 2.319 0 3 FEAF CC[C@@H](C(=O)N1CCOCC1)n1nc(C)n2c(cc3cc(C)ccc32)c1=O 6803363 MSQYHPBKUXFWDS-INIZCTEOSA-N 368.437 2.076 0 3 FEAF CCOC(=O)c1ccc(CN2CCC[C@](C)(C(=O)NCCOC)C2)cc1 61926410 BAUBHBLQCFFKEL-FQEVSTJZSA-N 362.470 2.228 0 3 FEAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2CCSC[C@@H]2C1 28755828 OLAQPXPMIQWQCE-MNOVXSKESA-N 355.891 2.240 0 1 FEAF COc1ccc(S(=O)(=O)N(C)c2nc3ccccc3c(=O)s2)cc1 27902320 ORHJMGZVOKXUHH-UHFFFAOYSA-N 362.432 2.490 0 1 FEAF CC=C1CN2[C@H]3C[C@H]1[C@@](CO)(C(=O)OC)[C@H]2C[C@@H]1C3=Nc2ccccc21 2356537181 JHLJAPBBYYUJNY-PDPPITACSA-N 352.434 2.431 0 1 FEAF CC=C1CN2CCc3c4n(c5ccccc35)[C@](CO)(C(=O)OC)[C@H]1C[C@H]42 2356742526 CQQSJVSJIQKHST-CDXJDZJCSA-N 352.434 2.381 0 1 FEAF COc1cc(C[C@@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2O)ccc1O 14646646 FAGBSURUGYTNKL-ZIAGYGMSSA-N 374.389 2.395 0 1 FEAF biogenic NC1=N[C@@](c2cc(NC(=O)[C@H]3CCCO3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 226066294 LJADZUBXYCEOAA-BMGIQWSVSA-N 369.343 2.137 0 1 FEAF Cc1ccccc1-n1c(=O)c2ccccc2n2c(N3CCN(C)CC3)nnc12 40847067 MUOKGAXTJZBWSA-UHFFFAOYSA-N 374.448 2.094 0 1 FEAF C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 95675517 PHXITHQOKRDDQC-FZDIXFNVSA-N 374.481 2.079 0 1 FEAF CCOC(=O)C[C@@H]1OC[C@H](C(C)C)N1S(=O)(=O)c1ccc(C)cc1 95602318 YONAFUDXBHERPW-CVEARBPZSA-N 355.456 2.320 0 3 FEAF C/C(=C/CC/C(=C/CO)CO)CC/C=C(\C)C[C@H](O)[C@H](O)C(C)(C)O 238768950 FTWKAMFFFFYMJW-QEWLJDHTSA-N 356.503 2.233 0 1 FEAF CCN1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO 95869551 YXKNAACKMYCBFZ-SVFBPWRDSA-N 354.425 2.484 0 1 FEAF NC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583505 SQNSPOZUHCIHGH-HNNXBMFYSA-N 354.362 2.267 0 1 FEAF CNS(=O)(=O)c1cc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)n(C)c1 586947482 OMLJCAUFEXGKHN-UHFFFAOYSA-N 374.344 2.375 0 1 FEAF CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12 587631580 PLXDMPPHUMPXHU-UHFFFAOYSA-N 353.781 2.094 0 1 FEAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(O)nc(S)nc3[nH]2)C(F)(F)C1 587132425 QFLCYXCMSCHZEF-LURJTMIESA-N 373.385 2.317 0 1 FEAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn(CC(=O)OCC)nn1)CC2=O 587474925 IJRWTSQOXDGDQC-LJQANCHMSA-N 373.409 2.380 0 1 FEAF NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 5925103 TWHYYPIAGPPMKW-UHFFFAOYSA-N 368.227 2.136 0 1 FEAF Nc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 169311436 GJWMGZNCWDOEBH-MYLSOTDGSA-N 363.483 2.246 0 1 FEAF O=C(Nc1ccc(C(=O)N2CCC(O)CC2)cc1)N1Cc2ccncc2C1 167220842 PFWZDJMEEFMBOK-UHFFFAOYSA-N 366.421 2.226 0 1 FEAF O=C1CC[C@@H]2[C@@H](O)c3cc4c(cc3[C@@H](c3ccc5c(c3)OCO5)N12)OCO4 6005643 JOCDYUMUWHCJQD-GBLZOACLSA-N 367.357 2.271 0 1 FEAF COc1ccc2c(C)nc(N3CCC[C@H](C(=O)N[C@H]4CCOC4)C3)nc2c1 104339413 JYHOJADUAALJLS-GJZGRUSLSA-N 370.453 2.068 0 1 FEAF OC[C@H]1C[C@H](Nc2nc(-c3cc(F)ccc3O)nc3ccccc23)CN1 59287702 OBGJEWVFHZZEGA-QWHCGFSZSA-N 354.385 2.276 0 1 FEAF N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccc(F)cc1)Cc1ccccc1F 28371216 QHLCAZPXWSTOHD-RTBURBONSA-N 373.447 2.268 0 1 FEAF CC1(C)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2[C@@H](O)[C@H]1O 14559476 DRLOYLLHCWGYLF-RTBURBONSA-N 370.357 2.437 0 1 FEAF biogenic CS(=O)(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72185028 PAXYFQVPOZBQCN-KRWDZBQOSA-N 365.886 2.402 0 1 FEAF CC(C)[C@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1 95596418 HFEVNTGRPXCJIM-ZDUSSCGKSA-N 356.434 2.370 0 1 FEAF C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]13COC(=O)[C@@H]1C=CC[C@@]32O 238747392 GIJQQHRWYJFIMX-VNEALKQTSA-N 356.374 2.454 0 1 FEAF Oc1nc(O)c2nc(CCNc3ccc(Br)cc3)[nH]c2n1 586996575 RDUMKDBCAJLPGH-UHFFFAOYSA-N 350.176 2.181 0 1 FEAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587052568 VUQTWOKRFBPLRL-GFCCVEGCSA-N 355.789 2.140 0 1 FEAF CN1[C@H]2C[C@H](O)[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588180 PJACZMRDANBQKS-DRHMPLCPSA-N 367.401 2.320 0 1 FEAF CCOC(=O)c1ccc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2c1 587142357 WPHMMXKJNMVOBF-UHFFFAOYSA-N 363.370 2.193 0 1 FEAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1 587786882 SENQEOLNAHDMAV-CHWSQXEVSA-N 371.418 2.154 0 1 FEAF CCc1c(-c2ccc3c(c2)cc(CNC)n3C)[nH]c(=O)c(C(=O)O)c1O 142785718 RNUUDMJMMZRKQI-UHFFFAOYSA-N 355.394 2.219 0 1 FEAF O=C([C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)N1CC[C@H](F)C1 1772629858 SOWJOJKCIQEYHL-AVGNSLFASA-N 356.405 2.450 0 1 FEAF C[C@]12CC[C@H]3[C@@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]1C[C@@H](C1=CCOC1=O)O2 169674239 QTYVPMSAPQBXMM-HNKWDLNTSA-N 350.455 2.203 0 1 FEAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cnccn1 26377840 YENFXWWANAWKKS-SFHVURJKSA-N 357.373 2.022 0 1 FEAF COc1ccc2c(c1)CN(C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)CC2 26664856 LUIJDMCTUCNIOG-FQEVSTJZSA-N 354.450 2.472 0 1 FEAF C[C@]12C[C@H](c3ccoc3)O[C@H](O)[C@@H]1CC[C@]13COC(=O)[C@@H]1C=CC[C@]23O 2356691883 ZZEYREBRTKBREJ-MSHOZJNTSA-N 360.406 2.326 0 1 FEAF COc1cc2c(cc1O)C=CC1=c3cc(OC)c(OC)cc3=CN(C)[C@H]12 2356845026 OATSHHMRWPYDJJ-OAQYLSRUSA-N 351.402 2.020 0 1 FEAF CC(C)(O)[C@H](O)Cc1c(O)ccc(CCC(=O)c2ccc(O)cc2)c1O 13379867 GWBOCBSRSSJWFR-GOSISDBHSA-N 360.406 2.293 0 1 FEAF biogenic COc1ccc([C@H]2c3ccc(O)cc3O[C@@H]3NC(=S)N=C(N)[C@H]32)cc1 195386627 RAZRZXQECDYJLN-UXLLHSPISA-N 355.419 2.113 0 1 FEAF COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)ncnc3n2)cc1CO 139634282 NBVPZUYIYZTTNH-ZDUSSCGKSA-N 366.421 2.418 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NCCC)[C@H]2CN(C)C(C)=O)cc1 95668719 FJJJXYJTECJMAE-HNWYEFJWSA-N 373.497 2.446 0 1 FEAF Cc1ccc2c3c(cc(CC(=O)NCC(=O)O)nc13)-c1ccccc1C2=O 586994966 CDBUUHAQYSCULZ-UHFFFAOYSA-N 360.369 2.498 0 1 FEAF Nc1nc(-c2cccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2)cs1 587022149 UVBLMOJMDKBAEI-UHFFFAOYSA-N 371.447 2.583 0 1 FEAF O=S(=O)(c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1)C(F)(F)F 586914265 YRUIBBWLQBLOPF-GFCCVEGCSA-N 364.345 2.316 0 1 FEAF COC(=O)C(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804286 DLGUFMYNINISPF-AYVTZFPOSA-N 358.207 2.470 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(C(F)(F)c3ccccn3)[nH]c12 587089765 HJPKXGUIDKIMNH-UHFFFAOYSA-N 352.366 2.348 0 1 FEAF COC(=O)[C@@H]1OCC(C)(C)[C@]12NCCc1cc3cccc(OC)c3nc12 963046553 KORSBFWOVRLDRK-FXAWDEMLSA-N 356.422 2.182 0 1 FEAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNc2ccncn2)cc1 1772621339 CFQNEBHEDLNSFY-UHFFFAOYSA-N 372.454 2.240 0 1 FEAF CCCC[C@]1(CO)C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)[C@@H]1O 169289996 BYBAPAFOQSJYFM-ZUCLMVRBSA-N 373.493 2.201 0 1 FEAF O=S(=O)(c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3O2)cc1)N1CCCC1 169730044 QIZIREOPFQLFIO-ZIAGYGMSSA-N 374.418 2.355 0 1 FEAF CS(=O)(=O)N1CCC2(CCCN(C(=O)Nc3cccc(F)c3)C2)CC1 3956133 UTKAPAOLHFERQA-UHFFFAOYSA-N 369.462 2.495 0 1 FEAF Cn1cnc2cc(-c3ccc(C(C)(C)N)nc3)nc(NC3CC3)c2c1=O 115624456 GHGGCXKFLIDPTR-UHFFFAOYSA-N 350.426 2.159 0 1 FEAF Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2cccnc2)no1 110835169 VKXHBLMZMJLFNL-HUUCEWRRSA-N 351.318 2.127 0 1 FEAF COc1ccc(C[C@@H]2C(=O)OC[C@H]2[C@@H](O)c2ccc(OC)c(O)c2)cc1O 2356532482 YNOCUODOFOEIFZ-KSMMKXTCSA-N 374.389 2.180 0 1 FEAF O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@H]2[C@H]2[C@H](C1)C2(Cl)Cl 195479056 GSRVKLGURKHDPG-MROQNXINSA-N 350.205 2.276 0 1 FEAF Nc1nc2ccc(C(=O)c3ccccc3)cc2n1CCN1CCOCC1 84707417 NOFORMXMBKZTMW-UHFFFAOYSA-N 350.422 2.182 0 1 FEAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587040265 MJIUOWJZDIHIKE-LURJTMIESA-N 356.839 2.353 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1[C@@H]1CCS(=O)(=O)C1 587869942 VMIOMTBXDCPXJW-SNVBAGLBSA-N 361.345 2.332 0 1 FEAF COc1cc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2cc1OC 587142429 ZWPYESFTPDBBEC-UHFFFAOYSA-N 351.359 2.034 0 1 FEAF NS(=O)(=O)c1c[nH]c(-c2nc3c(F)c(Br)ccc3[nH]2)c1 586929756 IUIKMAWKTBRZSF-UHFFFAOYSA-N 359.180 2.107 0 1 FEAF CNS(=O)(=O)c1cc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)n(C)c1 586947577 UCXSHFBDZVZOIX-UHFFFAOYSA-N 360.226 2.178 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(Cc3ccccc3)C[C@@H]1C(=O)O)O2 587393382 HLXLEHXNQOPKTB-IERDGZPVSA-N 366.417 2.498 0 1 FEAF Cn1nc(-c2cnc(N)c(-c3cc[nH]n3)n2)nc1C1(c2ccccc2)CC1 1772577600 HZUCSTVIHPFOIC-UHFFFAOYSA-N 358.409 2.324 0 1 FEAF CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(CC(F)F)c3ccccc13)C2 1772614842 UMOLYDQIXXNCLK-ZIAGYGMSSA-N 363.408 2.498 0 1 FEAF C[C@H](NCCc1ccc(N(C)CC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 11422465 KASWXZAYSNHPMW-XOBRGWDASA-N 358.438 2.167 0 1 FEAF CC(C)(O)CNC(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 167412909 DJMREHHFCMYNHJ-UHFFFAOYSA-N 354.410 2.130 0 1 FEAF CN(C)CCCN1C(=O)C(=O)[C@H](C(=O)c2cccs2)[C@H]1c1ccco1 100297987 ACDDETXCNPCMGK-LSDHHAIUSA-N 360.435 2.244 0 1 FEAF COc1cc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc(O)c1O 115732044 UPUBFWVIQLTVKL-UHFFFAOYSA-N 358.354 2.208 0 1 FEAF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccncc1 27315412 RDWKGXWQQSUMTO-MRXNPFEDSA-N 357.435 2.491 0 1 FEAF CN(C)c1ncc(-c2cncc(NS(=O)(=O)c3ccccc3)c2)cn1 73168378 OQWDPZREMCBYSI-UHFFFAOYSA-N 355.423 2.405 0 1 FEAF CC(C)N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCc1ccccc1 199248309 BNPPSELGQVHQGD-QGZVFWFLSA-N 351.406 2.174 0 3 FEAF COc1cc2c3c(c1)O[C@@](Cn1cc(C(=O)O)nn1)(C(C)(C)C)[C@@H](C2)C3=O 587437513 JDVFHNWQLPQVHF-HXPMCKFVSA-N 371.393 2.217 0 1 FEAF Cc1cc2c(cc1O)[C@](C)(c1ccc(CC(=O)O)cc1)N[C@H](C(=O)O)C2 963555183 VEYFDFHCFKBSML-JXFKEZNVSA-N 355.390 2.190 0 1 FEAF COc1cc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(N)=O)ccc1O 205704079 MBXOIQCUJJEQBZ-UHFFFAOYSA-N 351.362 2.308 0 3 FEAF Cc1nc(-c2ccc(C(=O)N[C@@H]3CCN(C#N)C3)c(F)c2)c2ccnc-2[nH]1 1857596920 OFRZTFKFRAQWLW-CYBMUJFWSA-N 364.384 2.309 0 1 FEAF COc1cccc([C@@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@H]2O)c1 28463110 ACWQRBMGRMYDBA-WMZOPIPTSA-N 358.394 2.131 0 1 FEAF COc1ccc(C(C)=O)cc1CN1C(=O)[C@@H](C)ON=C1c1ccccn1 61930189 DVBRADZZFVCZOQ-CYBMUJFWSA-N 353.378 2.402 0 3 FEAF CCN1CCN(Cc2cn(-c3cc(C)nc4ccc(OC)cc34)nn2)CC1 64516581 SNCDJMRQVPQBBA-UHFFFAOYSA-N 366.469 2.270 0 1 FEAF C[C@H](NC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2)c1ccccc1 45375086 WBWDGNPJJLVXMO-JEDBISTDSA-N 366.417 2.016 0 1 FEAF C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn(Cc3cn[nH]c3)c2n1 84670265 AGXUMHPFDYSEJL-SMDDNHRTSA-N 354.414 2.103 0 1 FEAF Nc1ncc(-c2ccc(C3(c4noc(-c5ccncn5)n4)CCC3)cn2)cn1 96175497 YMYDZAVXHKVOES-UHFFFAOYSA-N 372.392 2.431 0 1 FEAF O=P(O)(O)C(O)(CCc1ccc(-c2ccccc2)cc1)P(=O)(O)O 261100592 GGLBRFIRCJFWLU-UHFFFAOYSA-N 372.250 2.288 0 1 FEAF CN(C)c1ccc(CNc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)cn1 473168218 KZHYWBKXNIOPSG-UHFFFAOYSA-N 350.430 2.316 0 1 FEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)c1 586934888 AAMFYJCLKULBOM-UHFFFAOYSA-N 366.374 2.082 0 1 FEAF NS(=O)(=O)c1cccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 587092022 QPVNMLRGQKJEQP-UHFFFAOYSA-N 372.328 2.213 0 1 FEAF CCOC(=O)[C@H](F)[C@@]1(CC)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228975 PINIRZXLOWXEJG-GJYPPUQNSA-N 360.385 2.340 0 1 FEAF O=C(NCC1(O)CCC(F)(F)CC1)c1cc(=O)c2cc(O)ccc2o1 1772621080 PWOGNEUKUBKMGT-UHFFFAOYSA-N 353.321 2.169 0 1 FEAF O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(Cc2cc[nH]n2)C1 12300870 RUQHDDDOILBBHH-HNNXBMFYSA-N 350.426 2.446 0 1 FEAF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/[C@@H](O)CCCCCO 12496235 XQXUYZDBZCLAQO-FEJPFBNPSA-N 370.486 2.015 0 1 FEAF endogenous,in-man Nc1nc2c(Cc3ccc(I)cc3)c[nH]c2c(=O)[nH]1 13861142 GFFQSWANLMANPJ-UHFFFAOYSA-N 366.162 2.029 0 1 FEAF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@H](O)c1ccc2c(c1)OCO2 14646880 DAYYVCOMHYXEFZ-FASAQXTFSA-N 370.357 2.209 0 1 FEAF biogenic,in-vitro Cc1cc2ccccc2n1CCNC(=O)c1cnc(N2CCOCC2)nc1 169351844 VUBDHXQOPCSYQW-UHFFFAOYSA-N 365.437 2.006 0 1 FEAF O=C(Nc1ccc(F)cc1)c1c(Nc2ccccc2)nc(O)n(O)c1=O 1857628443 RNNPQPKOPXHHDX-UHFFFAOYSA-N 356.313 2.321 0 1 FEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CCC(CCN2CCCC2)CC1 1857765496 JFIBIGUYILAYIC-UHFFFAOYSA-N 366.483 2.302 0 1 FEAF Cn1nc(C(=O)NC2CCC2)c2ccc(N=c3[nH][nH]c4cccnc34)cc21 1857767702 WFBBBHNOOAQNAB-UHFFFAOYSA-N 361.409 2.292 0 1 FEAF CC(C)(C)OC(=O)Nc1cscc1-c1nc(C(=O)O)c(O)c(=O)[nH]1 3582104 HMJXOWDKKNFHTA-UHFFFAOYSA-N 353.356 2.249 0 1 FEAF COc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H](CC(C)(C)O)C[C@@H]4[C@H](C2)N(C)CC[C@]341 29249470 BTDCAZOVYZIULV-DRMXQZSWSA-N 373.493 2.112 0 1 FEAF C[C@@H](CC(=O)NC1=C(C(=O)O)CCCC1)c1nc(-c2ccc(O)cn2)no1 34853406 KSENNMCETJAXHC-JTQLQIEISA-N 372.381 2.360 0 1 FEAF COC(=O)[C@H]1CO[C@@](C)(O)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 33831674 VMUNRKIMYNVTQO-IYWYGFBWSA-N 370.449 2.231 0 1 FEAF Nc1cc(F)ccc1NC(=O)c1cnc2cc(N3CCNCC3)ccc2n1 212358772 KAYPDXDWGWGQEZ-UHFFFAOYSA-N 366.400 2.013 0 1 FEAF CC(C)[C@@H]1CC[C@@H](C)[C@@]23CC[C@@](C)(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@@H]2[C@@H]13 44387337 BKKOWVSRAGJQRQ-JOPJLWLRSA-N 368.514 2.318 0 1 FEAF NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2)c2cccnc12 143536630 ORCHNWVAWGAOCS-KDOFPFPSSA-N 360.417 2.418 0 1 FEAF COCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1 145023743 PPHWDWCCHPGHSI-UHFFFAOYSA-N 355.442 2.050 0 1 FEAF COCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 587584609 ZHNBJDWABXSQKW-QAPCUYQASA-N 353.334 2.291 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@H]32)N1 587793000 JFOLVMJPCFSCFQ-IXYMDDJUSA-N 369.234 2.010 0 1 FEAF CCOCCOCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587778234 IRYRDOJNKCQAQO-UHFFFAOYSA-N 352.334 2.410 0 1 FEAF Cn1nccc1CS(=O)(=O)Cc1nc2cccc(OC(F)(F)F)c2[nH]1 586921859 OKENEWBJNCJJPE-UHFFFAOYSA-N 374.344 2.310 0 1 FEAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](O)C(=O)c2ccccc21 587486915 XXYCTAUWSCHNRG-GHTZIAJQSA-N 366.369 2.332 0 1 FEAF Cc1ccc(NC(=O)c2c(NCc3ccccc3)nc(O)n(O)c2=O)cc1 1772644829 AIPOLOZAXGKCDR-UHFFFAOYSA-N 366.377 2.359 0 1 FEAF O=C(NC1CCCC1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 13136908 VXVAXTVQJBEBRG-YKTARERQSA-N 358.463 2.089 0 1 FEAF COC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 13823386 XLJNWAWRWXOCLS-ZHACJKMWSA-N 363.347 2.488 0 1 FEAF COc1cc2c(cc1O)[C@@H]1O[C@@H](O)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 15257555 DPRSKEMBOBQDJV-CMKODMSKSA-N 371.389 2.421 0 1 FEAF endogenous,in-man COc1ccc(C(=O)Nc2nnn[nH]2)c(OC(C)C)c1Br 838215 CCFZWTZTHGGFAB-UHFFFAOYSA-N 356.180 2.010 0 1 FEAF Cc1ccc(Cn2cncc2C[C@H](N[C@@H](CC(C)C)C(=O)O)C(=O)O)cc1 1549630 NPCOBCRLAVXUGB-ROUUACIJSA-N 373.453 2.324 0 1 FEAF O=c1[nH][nH]c2nc(CN3CCN(Cc4ccccc4)CC3)nc3cccc1c32 59277238 GECJPYVYPOYSTF-UHFFFAOYSA-N 374.448 2.117 0 1 FEAF COC(=O)c1ccc(OCCC(=O)N2CCC(Cc3c[nH]cn3)CC2)cc1 28563682 NIQGMNRACMQUHL-UHFFFAOYSA-N 371.437 2.447 0 1 FEAF CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CCSC)n1cccc1 2356738311 FECBSQSLDSSNQV-ROUUACIJSA-N 371.506 2.482 0 1 FEAF COc1ccc(C[C@H](CO)[C@H](CO)Cc2ccc3c(c2)OCO3)cc1OC 14437671 NRCFNUXLFQWEKJ-SJORKVTESA-N 374.433 2.435 0 1 FEAF biogenic O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)NCCc1ccccc1Cl 195480068 QFYPAKIXVQWMJY-DTDBQYNISA-N 372.852 2.196 0 1 FEAF NS(=O)(=O)Oc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 1911573497 IEWYIWZHOQUIIO-UHFFFAOYSA-N 364.467 2.102 0 1 FEAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@@H]1CN(C)C 95711575 VZKDZVNXGYLRRI-SPYBWZPUSA-N 373.497 2.431 0 1 FEAF Cc1c(I)cnn1[C@H](C)c1nc2ncc[nH]c-2n1 587182157 MFFDVBVCJPNVBA-SSDOTTSWSA-N 354.155 2.023 0 1 FEAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 587177421 IMTSBRKASGSUPZ-UHFFFAOYSA-N 359.386 2.496 0 1 FEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)nc1O 587590174 YCUJKQKWKKKPPN-CZUORRHYSA-N 352.302 2.296 0 1 FEAF CNS(=O)(=O)c1ccc(CCc2nc3cccc(C(=O)OC)c3[nH]2)cc1 586945693 AFUUKKBAQNHQOV-UHFFFAOYSA-N 373.434 2.043 0 1 FEAF COc1ccc(CCC(=O)O)c2c1[C@@H]([C@H](O)C(C)(C)O)OC(C)(C)O2 685935271 APMMATLSOWXISW-HOTGVXAUSA-N 354.399 2.030 0 1 FEAF biogenic,in-vitro C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)C=COC(N)=N1 148089744 VHDJWZVMMKIYKN-SFHVURJKSA-N 351.341 2.418 0 1 FEAF O=C1CCc2cc(/C=C/C(=O)N3CC(OCc4ccccc4)C3)cnc2N1 169707520 HNGPQMJMLWSXHM-RMKNXTFCSA-N 363.417 2.407 0 1 FEAF C[C@H]1CN2C(=O)Cc3c(S(=O)(=O)N4CCC[C@@H](C)C4)ccc(c32)S1 6867756 BPBNTXGTKXCWHZ-NEPJUHHUSA-N 366.508 2.491 0 3 FEAF CNC1CN(c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)C1 27881522 RKXHXIMPYUJEBJ-UHFFFAOYSA-N 360.414 2.199 0 1 FEAF CC(C)(C)c1ccc2c(c1)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2=O 96905482 ARZLYRMAMRPNLV-UHFFFAOYSA-N 358.419 2.432 0 1 FEAF CN(Cc1nc2ccccc2s1)C(=O)C[C@@H]1NNC(=O)[C@@H]2CCCC[C@H]12 618014991 HUBCVZXGQCMXIB-GUTXKFCHSA-N 372.494 2.454 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)OC(=O)C2)N1 587829265 BORXQOMJQSJNKQ-NZFNHWASSA-N 370.174 2.233 0 1 FEAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587069736 JVIYFWUXCCYSHN-GFCCVEGCSA-N 353.817 2.477 0 1 FEAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nncc(O)n1 587655949 DSSOUSRITBCPEW-UHFFFAOYSA-N 353.288 2.222 0 1 FEAF CCOC(=O)N1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](OC)C1 587439703 WHWKPHBJMCELTB-MUKKUYKPSA-N 361.394 2.059 0 1 FEAF CN(C)CC1=CC2=CN(S(=O)(=O)c3ccccc3)C3=CC=C[C@H](O1)[C@H]23 1772625507 TUTKZANFXFVKEG-RBUKOAKNSA-N 356.447 2.489 0 1 FEAF O=C(CCN1CCCCC1)N1CCc2[nH]c(=O)c3cc(F)ccc3c2C1 13536336 CTOQXIXQHAILCA-UHFFFAOYSA-N 357.429 2.428 0 1 FEAF in-vitro COc1ccc(OC)c(S(=O)(=O)NN/C=C2\C=Nc3ccccc32)c1 15952110 QTDHVNTZLQNLNE-VAWYXSNFSA-N 359.407 2.244 0 3 FEAF CC[C@H]1CCCCN1CCCNC(=O)c1ccc2c(c1)NC(=O)CN2C 6920019 OPRZASGJANZQMR-INIZCTEOSA-N 358.486 2.459 0 3 FEAF COC(=O)[C@]12C[C@@H]3C[C@@H]([C@H](C)O)[C@H]1N(CCc1c2[nH]c2ccccc12)C3 1568204 VGDQBNXQAOYMPS-ZGOJLTBVSA-N 354.450 2.226 0 1 FEAF COC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 3827197 XMBMJXJVRHQYLU-DDHJBXDOSA-N 367.616 2.262 0 1 FEAF O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N[C@@H]1CCCc2ccccc21 100487972 LUYDYUNUZBCJEW-QHOFPYNOSA-N 364.445 2.377 0 1 FEAF Cc1ccccc1-n1c(=O)c(F)cn([C@@H]2OC(=O)c3ccccc32)c1=O 28229619 PTOCXGTYNWPGKY-QGZVFWFLSA-N 352.321 2.164 0 1 FEAF COC(=O)C1=C2Nc3cc(O)ccc3[C@]23CCN2CCC[C@]([C@H](C)O)(C1)[C@@H]23 2356683860 FHMZPCPNSNRDQC-FEKGSYAUSA-N 370.449 2.122 0 1 FEAF C=Cc1ccccc1OC[C@H](O)CNCCNC(=O)Nc1ccccc1 28264235 RUPSJCMHEJRPDE-GOSISDBHSA-N 355.438 2.481 0 1 FEAF C[C@@H]1C[C@H](C[C@@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O 14927544 OXBZEUQGKLXVSR-VNMSEDPASA-N 360.362 2.026 0 1 FEAF biogenic O=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCC[C@H](O)C1 84632922 AARFFAMWQJWKGQ-AWEZNQCLSA-N 369.446 2.424 0 1 FEAF CC(C)[C@@H]1CN(C(=O)C2(c3ccccc3)CCN(C)CC2)C[C@H]1C(=O)O 91664888 WGIDVPCKXAIEFP-ZWKOTPCHSA-N 358.482 2.465 0 1 FEAF COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)C[C@@H](C)O)C=C[C@@]31CCN(C)C2 238746579 MJSGJSLIEXDCKY-VZBFBVBPSA-N 373.449 2.172 0 1 FEAF CCN1C(=O)[C@H]2CN(CC(C)C)C[C@H]2C12CCN(C(=O)NC(C)C)CC2 96262290 DHYITOQTXHHXFJ-DLBZAZTESA-N 364.534 2.005 0 1 FEAF Cc1ccc(NC(=O)c2cccn3c(=O)cc(N4CCOCC4)nc23)cc1 473130582 KVTLCPXSSRRLQI-UHFFFAOYSA-N 364.405 2.092 0 1 FEAF CCOC(=O)[C@@]1(CC(N)=O)CCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587389929 MWSJTQSQUCNQNG-PMACEKPBSA-N 374.437 2.280 0 1 FEAF CC1(C)Cc2c(cnc3ncnn23)[C@@]2(C1)NCCc1nc3ccccn3c12 962985811 HDKIXCNQKRVKRX-HXUWFJFHSA-N 359.437 2.134 0 1 FEAF CNC(=O)c1ccc(CN2CCN(c3ccccc3OC(C)C)CC2)n1C 13743846 LBLILDRXQSWWTP-UHFFFAOYSA-N 370.497 2.494 0 1 FEAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@H](C)O2 14966274 BIRFZNWWCAWOJS-NSHDSACASA-N 371.441 2.021 0 1 FEAF Cc1ccc(Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 169322208 GVUGAYPRESZAMG-MRXNPFEDSA-N 363.373 2.140 0 1 FEAF CC[C@@H](C)CNC(=O)CN1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 201445546 ROQHFQVWTRWGRC-PBHICJAKSA-N 357.454 2.190 0 3 FEAF O=C(NCc1cccc(F)c1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O 205688067 SZKWZWDRRWMOLV-UHFFFAOYSA-N 357.316 2.351 0 1 FEAF C[C@@H]1C[C@@H]2OC(=O)[C@@H](CNCCN3CCCC3)[C@H]2C[C@]2(C)[C@@H](O)CC[C@@H]12 1857586991 DTBGTHNBOWFYDU-AUXNIDRLSA-N 364.530 2.037 0 1 FEAF COc1ccc(Cc2nc(N3CCNCC3)nc3cccnc23)c(OC)c1 1857604417 XGWDEHWHRUWFSZ-UHFFFAOYSA-N 365.437 2.042 0 1 FEAF CN(C)C[C@@H]1Cc2c([nH]c3ccc(C(=O)Nc4nccs4)cc23)C(=O)N1 29125393 UZGMDHZNDFGHSD-NSHDSACASA-N 369.450 2.093 0 1 FEAF O=C(O)c1cc(CN2CCC(c3cc[nH]n3)CC2)c2ccccn2c1=O 66074599 AEFIYNBMVZXRRT-UHFFFAOYSA-N 352.394 2.100 0 1 FEAF CN(C)C[C@@H]1O[C@@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@H]1O 2356691536 NXQGYHSPCDAGKY-NRSPTQNISA-N 373.497 2.319 0 1 FEAF CC(C)C(=O)O[C@@H]1C[C@]23OC(=O)C[C@]2(C[C@@]2(O)OC[C@@]3(C)[C@H]2C)[C@@H]1C 2356788552 XFNNCCSGHVEVIE-VHBAQXNVSA-N 352.427 2.031 0 1 FEAF Cc1c(C(=O)N2CCC[C@@](O)(CN(C)C)CC2)c2cc(O)ccc2n1C 72125247 YFLSBOLXOPBPEM-FQEVSTJZSA-N 359.470 2.111 0 1 FEAF Cc1ccc(O[C@@H]2CN[C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1 49089526 ZZKBBEYDJQTXJT-VQTJNVASSA-N 357.498 2.191 0 1 FEAF C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@]1(CO1)[C@H]2CCC1=CCOC1=O 40981098 YQZCSRAURNLCEK-WZLKLWACSA-N 350.455 2.205 0 1 FEAF biogenic,in-vitro CO[C@@]1(c2ncc(Cl)cc2C)CCCN(C(=O)c2cn(C)nc2N)C1 473136349 QEFYFIUAJYQZIA-KRWDZBQOSA-N 363.849 2.137 0 1 FEAF Cc1cncc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 587135567 HWDVJHFMEFOTCP-UHFFFAOYSA-N 356.329 2.162 0 1 FEAF N[C@@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccccc1Cl 587057637 CKUWJIASTBJPJF-NSHDSACASA-N 350.831 2.106 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1cc(S(C)(=O)=O)ccc1O)[C@@H](C2)C3=O 587450699 UEZWIBFJBWSXMC-SCLBCKFNSA-N 360.387 2.293 0 1 FEAF C[C@H](NC(=O)Cn1ncc2ccsc2c1=O)c1ccc2c(c1)OCCO2 5036005 FUPABUHJOINFIG-NSHDSACASA-N 371.418 2.107 0 1 FEAF Cc1cccc(C)c1-n1nnnc1[C@@H]1C(=O)NC(=S)N1c1ccccc1 206054315 IXYXZSLAYVAZOC-OAHLLOKOSA-N 364.434 2.242 0 3 FEAF COc1ccccc1-n1ccnc(SCC(=O)NC2CCCC2)c1=O 4853146 SWKMGIRMOKPUQM-UHFFFAOYSA-N 359.451 2.392 0 3 FEAF CN(C)c1ccc(C(=O)NC[C@H]2C[C@H]3CCN2C[C@H]3CN2CCCC2)cc1 2356286066 NZMBDUUBCDRYKW-SFHLNBCPSA-N 370.541 2.289 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CO)CC3)c(F)c21 66251930 QNGDHYLAXURQET-UHFFFAOYSA-N 366.364 2.207 0 1 FEAF COC(=O)[C@@H]1[C@H](O)O[C@H](C)C2=CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 31456504 VNZAGMCDYZBYNC-WFJAVSHASA-N 368.433 2.497 0 1 FEAF biogenic CC(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3cccc4ccccc34)CO[C@@H]21 36362249 MVOQAYJFPWZODK-XMTFNYHQSA-N 356.378 2.059 0 1 FEAF biogenic COC(=O)[C@@H]1C[C@]2(CCN1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587789975 FAXRYXYBCJYEMV-IJQVFZPHSA-N 371.250 2.243 0 1 FEAF Cc1c(I)cnn1[C@H](C)c1nc2cnncc2[nH]1 587182121 LOBIRCYLHSUXNJ-SSDOTTSWSA-N 354.155 2.072 0 1 FEAF COC(=O)Cc1ccccc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587783220 IQMTWVZFKFJJLJ-UHFFFAOYSA-N 373.434 2.196 0 1 FEAF Cc1nccc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc12 587133838 CPNBCAXWFZRRIK-UHFFFAOYSA-N 356.329 2.162 0 1 FEAF Cn1cc(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cn1 587649898 MNEMVDFIANARGG-UHFFFAOYSA-N 353.350 2.474 0 1 FEAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587115944 GINGRBNTCMHXKH-UHFFFAOYSA-N 352.107 2.443 0 1 FEAF O=C(O)CC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603562 NODHVXAVFDRQEL-KBXCAEBGSA-N 358.302 2.042 0 1 FEAF C[C@@]1(O)[C@@H]2C[C@@H]3C[C@H](C2)C[C@@H]1[C@]3(CC(=O)N1CC(O)C1)c1ccc(F)cc1 1772585920 GYOAVHNCAHIQFG-ZCXGGROASA-N 373.468 2.474 0 1 FEAF COc1ccccc1CN1C[C@@H](C(=O)NCc2cccc(C)n2)CCC1=O 11938593 GAEDTDPHYVHSLX-KRWDZBQOSA-N 367.449 2.454 0 3 FEAF O=C1CC[C@@H](C(=O)N2CCC(O)CC2)CN1CCc1ccc(Cl)cc1 12385242 GYJZGHLEBABCBQ-OAHLLOKOSA-N 364.873 2.104 0 3 FEAF CN(Cc1ccccn1)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O 15070359 AORQVVJWBLDDHW-HXUWFJFHSA-N 357.429 2.206 0 1 FEAF CC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169344524 OKPZZQOOGVTTIF-XBDDDHEFSA-N 367.445 2.226 0 1 FEAF c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4ncccn4)CC3)CC2)nc1 100803080 VFYMYMGVYBHBAW-HDICACEKSA-N 367.501 2.450 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@H](NCC2CC2)C[C@H]1O 2356288698 JGLRXEWNKTVFPW-RAUXBKROSA-N 371.456 2.183 0 1 FEAF COc1ccc2c(c1)C(O)=C(C(=O)Nc1ccccc1)N(C)S2(=O)=O 28098189 IZLDOEPANXUBBO-UHFFFAOYSA-N 360.391 2.195 0 1 FEAF O=C(c1cc(Br)c(Br)o1)N1C[C@@H]2CNC[C@H]2C1 169711230 UXIXSVLZTCKWCM-BQBZGAKWSA-N 364.037 2.096 0 1 FEAF CC(=O)c1ccc(OCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 7096601 BZLOWFXWAGNTEJ-UHFFFAOYSA-N 357.366 2.405 0 1 FEAF biogenic COc1cc([C@H]2COc3cc(O)c(OC)c(O)c3C2=O)cc(O)c1OC 36434366 ZPQRFZZYQKRPRG-SECBINFHSA-N 362.334 2.188 0 1 FEAF biogenic,in-vitro COc1cc(C[C@H]2C(=O)O[C@@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 40395532 BTXZSJTULWTSJG-TYILLQQXSA-N 374.389 2.180 0 1 FEAF CN1C(=O)[C@@H]2[C@@H]3O[C@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O 137857613 QMSLDDDUADQJHZ-FCGDIQPGSA-N 363.369 2.021 0 1 FEAF CCCCOC(=O)COC(=O)CNC(=O)c1coc(-c2cccs2)n1 82084964 OIMJOXZKLDORPL-UHFFFAOYSA-N 366.395 2.019 0 1 FEAF C/C=C1/CN2CC[C@]34c5ccc(OC)cc5N(C(C)=O)[C@H]3[C@H](CO)[C@H]1C[C@H]24 238745639 JPKPBLJUUCAYPU-DZEQTBHYSA-N 368.477 2.331 0 1 FEAF CC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 95871453 XKQHUHPFRGDKHZ-JAXLGGSGSA-N 364.445 2.179 0 1 FEAF NC(=O)[C@@H]1CCCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)C1 95598884 XAHVPJYARIVNCX-LLVKDONJSA-N 366.343 2.433 0 3 FEAF CCc1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N 473120563 OKZIUBINCGCDON-UHFFFAOYSA-N 369.513 2.217 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COC13CN(C(=O)OC(C)(C)C)C3)O2 587402137 YYVSXKUDOLSVCC-SFHVURJKSA-N 360.410 2.301 0 1 FEAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccnc(OC)c3[nH]2)cc1 587228123 GLEJGUBINJFEMC-UHFFFAOYSA-N 369.381 2.465 0 1 FEAF O=S(=O)(NCCc1nc2ccc(F)c(F)c2[nH]1)c1ccc(Cl)nc1 586942839 PVJNYJBFQKBSFG-UHFFFAOYSA-N 372.784 2.411 0 1 FEAF COc1cc2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c2cc1OC 586931245 OSQPAWQZKONJNQ-UHFFFAOYSA-N 351.384 2.090 0 1 FEAF CNC(=O)c1ccc(-c2nc(NCCOC)c3ncn(C(C)C)c3n2)cc1 14947365 AJMJJTGESUBGFD-UHFFFAOYSA-N 368.441 2.492 0 1 FEAF Cc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cnsn3)C2)o1 15077111 JKYOQCOBGMZIJU-CYBMUJFWSA-N 362.455 2.388 0 1 FEAF CN1CCc2cc3c(cc2[C@H]1[C@@H]1O[C@@H](O)c2c1ccc1c2OCO1)OCO3 15149504 YMHFBUOKLSWOQF-NLWGTHIKSA-N 369.373 2.435 0 1 FEAF CCOC(=O)[C@H]1[C@H](/C=C/c2ccccc2)[C@@H](C(=O)OCC)C(=O)C[C@@]1(C)O 169306959 WILIVLNMUBRNBN-VRZCAEAESA-N 374.433 2.398 0 1 FEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@@H](N2CCc3ccccc32)C1 1857655018 ZCLHNDLEDGNQTR-OAHLLOKOSA-N 372.446 2.241 0 1 FEAF O=C1CC[C@@H]2[C@H](O)c3cc4c(cc3[C@@H](c3ccc5c(c3)OCO5)N12)OCO4 6005646 JOCDYUMUWHCJQD-SMHULIPUSA-N 367.357 2.271 0 1 FEAF COc1ccc(N2C(=O)[C@@H](O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 26162687 KEARSTRZIKHVJC-SJORKVTESA-N 359.378 2.170 0 1 FEAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(c2ccncn2)C1 116978465 DVOSIFDHHXDFHZ-GFCCVEGCSA-N 365.441 2.185 0 1 FEAF COC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)COc2ccccc2)cc1 29466865 KAVTURIWLISQMG-SJLPKXTDSA-N 373.449 2.199 0 1 FEAF N[C@@H](CNc1nccc(-c2ccncc2)n1)[C@@H](O)c1c[nH]c2ccccc12 45351496 RZLJWZSSEDKFDQ-LPHOPBHVSA-N 360.421 2.493 0 1 FEAF O=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)N(CCO)CCO 82157061 OKPYQBDJLQUMQT-UHFFFAOYSA-N 354.406 2.027 0 1 FEAF Cc1ccccc1-n1c(=O)c2ccccc2n2c(N3CCOCC3)nnc12 40848119 HJWGSRNLLRXEPX-UHFFFAOYSA-N 361.405 2.178 0 1 FEAF CCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)NC1CCCC1)C2 95871804 UDUBVGLVALRKJF-HKUYNNGSSA-N 371.481 2.090 0 1 FEAF COc1cc(C[C@H]2COC(=O)[C@@H]2C(=O)c2ccc(O)c(OC)c2)ccc1O 96014417 IHQUAAXBXPJDEX-UGSOOPFHSA-N 372.373 2.330 0 1 FEAF biogenic NS(=O)(=O)Cc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586929559 FJLMZBMJQPAYSH-UHFFFAOYSA-N 359.407 2.180 0 1 FEAF CNC(=O)COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587388269 ZLCYQQDZHUCVRT-KRWDZBQOSA-N 370.405 2.417 0 1 FEAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@]2(CCn3ccnc32)N1 962647905 ZBEINMXIMFBETL-SWLSCSKDSA-N 353.300 2.028 0 1 FEAF COc1cc(/C=C/C(=O)NCCCCn2c(C=O)ccc2CO)ccc1O 14585178 SCHKABUWAYOIBY-WEVVVXLNSA-N 372.421 2.117 0 1 FEAF CCCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 169308317 BSEKTGUNECMPGZ-UONOGXRCSA-N 369.473 2.348 0 1 FEAF CC[C@H]1C[C@H](C=CCC(C(=O)OC)C(=O)OC)O[P@@](=O)(OC)O1 1857578723 HQPXMHFUGNZFHH-LYSPQLLHSA-N 350.304 2.234 0 1 FEAF O=C1COCCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644655 VHRRGURIMXQBAU-CQSZACIVSA-N 360.360 2.292 0 1 FEAF O[C@H]1[C@H](n2cnc3ccccc32)[C@H]2OC[C@@H](O2)[C@@H]1NCC1CCCCC1 2356296341 LSDONWDSZCOZBK-CXQPBAHBSA-N 357.454 2.232 0 1 FEAF CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H](CO)[C@H]2N(C(C)=O)c1ccccc13 2356733911 FOIHCGYTOYBKSL-XWOARTFESA-N 368.477 2.139 0 1 FEAF COc1cccc(CN[C@H]2CCC[C@H](C(=O)NC3CC3)CC(=O)N(C)C2)c1 2356735082 UYWBUGLCUYOKCK-WMZOPIPTSA-N 373.497 2.081 0 1 FEAF CO[C@@H]1OC[C@@]2(CCC(=CCO)CO)[C@H](C)C[C@@H](O)[C@@]13C(C)=CCC[C@H]23 2356847650 OYOCQFXSNOJORV-HYMUMSMOSA-N 366.498 2.410 0 1 FEAF C[C@@H]1CC(=O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@]1(CCO[C@H]1O)O2 36472089 PITIZJDONNHGKA-KXOMVGNFSA-N 352.471 2.425 0 1 FEAF CC(=O)N[C@H]1CCN(c2ncc(C)c(NCCc3cccc(F)c3)n2)C1 82203747 VHXPOVCHEPPHIE-KRWDZBQOSA-N 357.433 2.294 0 1 FEAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC(=O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 238780603 VRIMVJLJGZEEBA-ZXHHNCQOSA-N 350.455 2.386 0 1 FEAF C/C=C1/CN(C=O)[C@@H]2C[C@@H]1[C@@H](C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 238742694 NKMFTVSMLXLPDB-MEEWKOTDSA-N 368.433 2.063 0 1 FEAF C[C@H](N)C(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 27047497 VIVCWDQYWKMIAH-NSHDSACASA-N 367.357 2.484 0 1 FEAF biogenic O=C1C[C@]23CCN(CC4CC4)[C@@H]4C[C@@H](O)[C@H]1C[C@]42Cc1ccc(O)cc13 254132276 LOXFETCCXNYJIL-HTFPWXHTSA-N 353.462 2.401 0 1 FEAF O=C(Nc1ccccc1)Nc1cccn2c(=O)cc(N3CCOCC3)nc12 473131285 NZEXAFHCGFTLQD-UHFFFAOYSA-N 365.393 2.175 0 1 FEAF Nc1nccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 586953241 KOANSCSBCFXMOJ-UHFFFAOYSA-N 372.435 2.464 0 1 FEAF COc1nccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c12 586926255 MYECOXNOTIGWBV-UHFFFAOYSA-N 359.407 2.186 0 1 FEAF COC(=O)c1ccnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 586966622 GMLVVXIBIMITEG-UHFFFAOYSA-N 368.378 2.482 0 1 FEAF COc1ccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2n1 586941877 XVDPJEWQMZZDCJ-MDZDMXLPSA-N 358.423 2.365 0 1 FEAF NS(=O)(=O)c1cccnc1Nc1cc(C(=O)O)cc(C(F)(F)F)c1 1772648463 XFSIAMBQFQYHDM-UHFFFAOYSA-N 361.301 2.190 0 1 FEAF COCCO[C@H]1C=C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H]1O5 1772651923 CCFZKAPEUYIPRY-NROPHMHMSA-N 357.450 2.172 0 1 FEAF O=C(C1=C[C@H](c2ccccc2)C[C@H](OCCCCO)O1)N1CCOCC1 13118608 WWGCWYYXPOQSOG-PKOBYXMFSA-N 361.438 2.048 0 3 FEAF O=C(O)C1(CCCCn2cnc3c2NC=NC[C@@H]3O)Cc2ccccc2C1 13807387 OKELXQCITSLUFC-INIZCTEOSA-N 368.437 2.410 0 1 FEAF C/C=C1/CN2CCc3c4n(c5ccccc35)[C@@](CO)(C(=O)OC)[C@H]1C[C@@H]42 14660017 CQQSJVSJIQKHST-RNODZKRQSA-N 352.434 2.381 0 1 FEAF COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NC[C@@H]2CCCO2)cc1 1381065 MAUPNTYWFNJPFR-RDJZCZTQSA-N 359.378 2.482 0 3 FEAF Cc1ccccc1CS(=O)(=O)C[C@@H]1Nc2cc(C(=O)O)ccc2NC1=O 3031807 IKDCZTWLVYGYFI-INIZCTEOSA-N 374.418 2.041 0 1 FEAF CCc1c(N2CC[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3637740 BCRVGEKAHQXODB-NSHDSACASA-N 359.401 2.114 0 1 FEAF c1cc(OCCCOc2cccc(C3=NCCN3)c2)cc(C2=NCCN2)c1 6535000 NCEWZXDOTKILPH-UHFFFAOYSA-N 364.449 2.234 0 1 FEAF N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NC(=O)c2ccc(F)c(F)c2)CC1 100988855 MPBOMYAPVHELFL-QEORTHHSSA-N 365.424 2.203 0 1 FEAF CC1(C)C[C@@H]1n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 27624713 AOORHEJYYBARDT-INIZCTEOSA-N 359.401 2.219 0 1 FEAF C[C@]1(O)CCN(C(=O)C2CCC2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356288455 DUPPEVSTHSMYPL-LQWHRVPQSA-N 356.466 2.406 0 1 FEAF O=C(N1CCOCC1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 100627145 DEGSKRFQJYSPHH-SCQRFTTHSA-N 350.850 2.086 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@]23C 2356539455 OWACIDNMPZLRTG-QZRSEOQXSA-N 360.406 2.468 0 1 FEAF COc1ccc(C(=O)[C@@H]2CO[C@@H](c3ccc(OC)c(O)c3)[C@@H]2CO)cc1O 2356558084 LJZCCAHBCMLGPF-JZKQVHKSSA-N 374.389 2.294 0 1 FEAF O=C(O)c1cn(C2CC2)c2nc(N3C[C@H]4C[C@@H]3CS4)c(F)cc2c1=O 43015012 YPLSMQJIQQTDFZ-NXEZZACHSA-N 361.398 2.263 0 1 FEAF CC(C)(C)OC(=O)N1CCCC[C@@H]1Cn1nnc2c(N)nc(C3CC3)nc21 84712123 RQMGFEWTJZBMHA-GFCCVEGCSA-N 373.461 2.471 0 1 FEAF CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccnc2)c1=O 25427524 NJTWQKOMPBSIIP-ZBFHGGJFSA-N 352.438 2.447 0 1 FEAF biogenic COc1cc([C@H]2NC(=O)NC(C)=C2C(N)=O)ccc1OCc1ccccc1 96927464 VMNJNDLKZPNISE-GOSISDBHSA-N 367.405 2.387 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C[C@@H](O)[C@@]13COC(=O)C1=CCC[C@H]23 238740463 JSCUJDQZVVPLGE-KACZPEKHSA-N 356.374 2.454 0 1 FEAF CC(C)Oc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O 377797806 YJJZRKMBKLLEFD-UHFFFAOYSA-N 371.158 2.122 0 1 FEAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 586950344 UVAUAMBSKDLIRS-MRXNPFEDSA-N 359.411 2.249 0 1 FEAF COC(=O)/C=C(/CC(=O)OC)NNc1ncc(C(F)(F)F)cc1Cl 957626659 IOMWRKMRRLEFNL-YWEYNIOJSA-N 367.711 2.290 0 1 FEAF COc1cc(C[C@H]2C(=O)OC[C@H]2C(=O)c2ccc(O)c(OC)c2)ccc1O 14646837 VBBXDTGECAKSAY-ZIAGYGMSSA-N 372.373 2.330 0 1 FEAF biogenic NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc(C2CC2)n1 169308318 GEMHYLOIOLQZNH-GXTWGEPZSA-N 367.457 2.273 0 1 FEAF CC(C)(C)c1ccc(NC(=O)C2=CN3C=CS(=O)(=O)N[C@H]3C=C2)cc1 169691968 MUUAIDWSDNYKQE-MRXNPFEDSA-N 359.451 2.409 0 1 FEAF CCOC(=O)N[C@H](n1cnc2c(N)nc(F)nc21)C(Cl)(Cl)Cl 1857575864 HSYZXYNDSYNIDR-SSDOTTSWSA-N 371.587 2.163 0 1 FEAF O=c1[nH]c2ccc(N3CCC(O)CC3)nc2nc1Cc1ccc(F)cc1 766882 IKXLCSLPWYKJGK-UHFFFAOYSA-N 354.385 2.009 0 1 FEAF O=C(c1ccc2c(c1)OCO2)N1CCN2C(=O)N(C3CCCCC3)C[C@@H]2C1 2356592710 HQYLDWGKJOJPQV-INIZCTEOSA-N 371.437 2.310 0 1 FEAF COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H]3COC(=O)[C@@H]32)OCO4)ccc1O 2356676443 TYXKOPPRKGSRCN-WSFKTYETSA-N 370.357 2.098 0 1 FEAF CC[C@H](C=CC=CC(=O)O[C@@H]1C=CC2=C[C@H](O)[C@H](O)C[C@]2(C)[C@@H]1C)CO 2356722266 BFGGWRJEFCPXHU-WVMUJXQSSA-N 362.466 2.293 0 1 FEAF C[C@H]1C=C[C@H]2[C@H]3C=C[C@@H]4C[C@H](C)CC[C@H]4[C@@]3(C)C(=O)[C@@]23C(=O)NC(=O)[C@@]13O 2356875319 ZOSRQAKCEVCQIS-FSHFBDDNSA-N 369.461 2.010 0 1 FEAF CC(=O)OC[C@@]1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC4=O)[C@@H](O)C[C@H]21 40408895 NCHMSZWZXUHNIH-QOQNWESMSA-N 364.482 2.473 0 1 FEAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NC[C@H](C)O)c2cc1OC 82129818 DPYSTAMMPMCRIT-RYUDHWBXSA-N 362.430 2.031 0 1 FEAF O=C(O)CCCCCC[C@@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)CCCCCO 89456123 LDUBDFDZFOQXGF-ZMYQJFOKSA-N 370.486 2.448 0 1 FEAF COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F 95894332 IAAUQCZXORERDR-IRFCIJBXSA-N 370.424 2.148 0 1 FEAF Cc1ccc2nc3c(cc2c1)C=NN=C(NCCN1CCOCC1)S3 98082441 KBANBZCIPYWWSM-UHFFFAOYSA-N 355.467 2.261 0 1 FEAF CN(C)C(=O)c1cnc(NCCN)nc1Nc1cccc(C(F)(F)F)c1 96283859 BNEFTUWDOUEIHQ-UHFFFAOYSA-N 368.363 2.311 0 1 FEAF Cn1cccc1C(=O)C1CCN([C@@H]2Cc3c(N)cccc3C[C@H]2O)CC1 96273564 YHGTWWKXHADQAX-WOJBJXKFSA-N 353.466 2.030 0 1 FEAF O=C1C[C@]23CCN(CC4CC4)[C@H]4C[C@@H](O)[C@H]1C[C@]42Cc1ccc(O)cc13 254132283 LOXFETCCXNYJIL-XHCHQYRPSA-N 353.462 2.401 0 1 FEAF O=C(OC[C@@H]1C=C[C@H](n2ccc(O)nc2=O)O1)C12CC3[C@H](CCC[C@@H]3C1)C2 253639356 SKJUKNSINSATBL-NCSZQZDESA-N 372.421 2.162 0 1 FEAF COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)Nc1ccncc1 299820616 HVRUFPHUFGFCRX-UHFFFAOYSA-N 367.365 2.327 0 1 FEAF FC(F)c1c(-c2nc3nc(Br)c[nH]c-3n2)cnc2ncnn12 587127847 BYGJHLKXRUTPKI-UHFFFAOYSA-N 367.117 2.109 0 1 FEAF CCOC(=O)[C@@H](c1cc2c3c(cccc3n1)CC2)[C@H]1CCS(=O)(=O)C1 587216610 HEHPGOWOURYPSH-KBXCAEBGSA-N 359.447 2.415 0 1 FEAF NS(=O)(=O)c1cccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587016121 GUEYNGNEWPUZHX-JTQLQIEISA-N 350.425 2.185 0 1 FEAF Nc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1N 587113482 UFECDRGSLMAZEM-UHFFFAOYSA-N 374.330 2.448 0 1 FEAF O=C(N[C@@H](Cc1nc2ccc(O)cc2[nH]1)C(=O)O)OCc1ccccc1 587202443 IGKOYTDPURSPGY-HNNXBMFYSA-N 355.350 2.191 0 1 FEAF COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)Cn2nc(C)nc2C)C1 11843976 QBYBBYDVLAAEAN-CQSZACIVSA-N 374.416 2.164 0 1 FEAF CCOC(=O)/C(C(=O)Nc1cccc(C(F)(F)F)c1)=C(/N)N1CCCC1 1655332 IMIGPGIGVPRRCF-YPKPFQOOSA-N 371.359 2.473 0 1 FEAF O=C1O[C@@H](CO)CN1c1ccc(-c2cnc3ccc(O)nc3c2)c(F)c1 1857629490 FQHGEKNENVPFQG-GFCCVEGCSA-N 355.325 2.459 0 1 FEAF CN1Cc2cc(-c3ccc(C=C4NC(=S)NC4=O)s3)ccc2C1=O 1857742570 JFMISICGCNHPMU-UHFFFAOYSA-N 355.444 2.346 0 1 FEAF Cc1ccc(C2=NN(CC(=O)NCCN3CCCC[C@H]3C)C(=O)CC2)cc1 4708381 HNRVJKVINVZSCO-QGZVFWFLSA-N 370.497 2.312 0 1 FEAF CC(C)CN1C[C@@H]2CC(NC(=O)c3nn(C)c4ccccc34)C[C@@H](C1)N2C 101251191 IFZAOPNFWYWWCA-IRXDYDNUSA-N 369.513 2.106 0 1 FEAF O=C1CC[C@@]23Oc4ccc(O)c5c4[C@@](Oc4cccc1c42)(O3)[C@@H](O)CC5=O 2356483437 KNTWJKOMBDNCPG-YSSFQJQWSA-N 366.325 2.123 0 1 FEAF CC(C)[C@]1(O)C=C[C@](C)(O)CC=C[C@@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 2356695656 PZFBVODTZGEVTO-VBSBHUPXSA-N 350.455 2.414 0 1 FEAF CC(C)(C)C(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccccn3)on2)CC[C@H]1O 2356731963 OTRPJNIHGHUQBJ-KYJSFNMBSA-N 373.453 2.350 0 1 FEAF N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)c(O)c2)cc1O 40950834 ZMLLNTVVANCECA-UHFFFAOYSA-N 372.425 2.294 0 1 FEAF CCOP(=O)(OCC)OCCCO[C@H]1OC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]12 84714469 HEFRYNVJPDLAMZ-JYKNGBAOSA-N 364.331 2.267 0 1 FEAF COC[C@@H]1CCCN1c1cccc2c1S(=O)(=O)N(C1CC1)CCCO2 96019158 BGQNBNOCFMHCMY-HNNXBMFYSA-N 366.483 2.237 0 3 FEAF c1cc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)ccn1 95594949 CFIIUIGWBDPBAG-UHFFFAOYSA-N 360.421 2.464 0 1 FEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)nc1O 587590178 YCUJKQKWKKKPPN-XJKSGUPXSA-N 352.302 2.296 0 1 FEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(=O)O)c(F)cc2[nH]1 587225108 NNTMMKGUAUIFNL-JTQLQIEISA-N 357.341 2.484 0 1 FEAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cnn(C)c1C)[C@@H](C2)C3=O 587432490 PKWWUTMEHMRIKL-DYELUZBYSA-N 353.422 2.455 0 1 FEAF Nc1ccnc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc12 587026079 ULRGOVLKDPXYLT-UHFFFAOYSA-N 366.410 2.025 0 1 FEAF COc1cc2nc(=S)n(CCCN3CCOCC3)c(N)c2cc1OC 13571553 ARRCDBJNLBSMND-UHFFFAOYSA-N 364.471 2.087 0 3 FEAF Cc1ccc(-n2nc(C3CNC3)cc2NC(=O)c2cnn3cccnc23)cc1 204751896 JUBDAYJPKMXFGN-UHFFFAOYSA-N 373.420 2.163 0 1 FEAF Cc1ccc(S(=O)(=O)N2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 1857588659 LXXQXOMQCGHKBG-LJQANCHMSA-N 370.430 2.467 0 1 FEAF COc1cccc(OC)c1-c1cccc(Nc2cc(=O)n(O)c(=O)n2C)c1 1857613501 GUXSYJHUMIWGHQ-UHFFFAOYSA-N 369.377 2.212 0 1 FEAF CC(C)(C)C(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3cnccc3[nH]2)C1 2356302755 XTQCGXLERFMVDI-CHWSQXEVSA-N 358.442 2.486 0 1 FEAF COc1cc([C@H]2Oc3cc(C=CCO)ccc3O[C@H]2C(=O)O)ccc1O 2356394908 IWZNJWBNFYXWGT-QZTJIDSGSA-N 358.346 2.372 0 1 FEAF C[C@@H]1CO[C@](Cn2cncn2)(c2ccc(F)cc2F)C(C)(C)S1(=O)=O 26401336 BJRREDMDTCGLLO-BDJLRTHQSA-N 371.409 2.064 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC(CO)=CC[C@H](O)C(C)=C[C@@H]2OC(=O)[C@H](C)[C@H]21 2356634970 QQVBXEPCEBPLSG-PLLDYVMSSA-N 364.438 2.062 0 1 FEAF CCOC(=O)c1c(NC(=O)C(F)(F)F)c2cccnc2n(CC)c1=O 26383834 BLODFSOSCIESKS-UHFFFAOYSA-N 357.288 2.094 0 1 FEAF COc1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccncc3)C(=O)O2)cc1 45497607 WMHJQZNDOYVBOS-NXZBIGBUSA-N 369.373 2.009 0 1 FEAF CC(C)Oc1cc2c(-c3cc(N4CC[C@H](N)C4)ncn3)n[nH]c2cc1F 225550778 IQHFXCWFBRFTAB-NSHDSACASA-N 356.405 2.484 0 1 FEAF C[C@@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](C)(O)C3 238766367 RQSMCCOZKPTKGL-PAGWOBONSA-N 366.454 2.126 0 1 FEAF COc1nc(N2CCCOCC2)nc(OC)c1NC(=O)CC(C)(C)C 473115811 UNQVKADEIBFAEA-UHFFFAOYSA-N 352.435 2.095 0 1 FEAF CCOC(=O)[C@H]1[C@H]([C@H](O)c2ccc(OC)cc2)[C@@]12C(=O)Nc1ccccc12 473154210 FHGVKQIRFUKYDT-NEYJZJCJSA-N 367.401 2.428 0 1 FEAF CCOC(=O)[C@@H]1COC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617510 PYXFWTYPLGYRID-GQWAEJPESA-N 370.357 2.302 0 1 FEAF Cc1cccc(NC(=O)Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1C 587239732 VVSPJXZKLNMMEY-UHFFFAOYSA-N 358.423 2.008 0 1 FEAF COC(=O)[C@H](OC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598864 YOUULCSISXKKKF-UCLAIMLFSA-N 358.346 2.301 0 1 FEAF CCN(CC)CCCN1C(=O)CS[C@@H]1c1ccc(S(C)(=O)=O)cc1 1772639383 PBMKFFBQBWZARF-QGZVFWFLSA-N 370.540 2.396 0 1 FEAF CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C)s1 13153251 JMSMAPVNUUZKDR-KRXQYRFLSA-N 368.451 2.223 0 1 FEAF C[C@@H]1C[C@H](C[C@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O 13399253 OXBZEUQGKLXVSR-XMBOCPKFSA-N 360.362 2.026 0 1 FEAF biogenic CCCNc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O 13755814 NXOIPQHKOIEAQT-UHFFFAOYSA-N 369.446 2.236 0 1 FEAF CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCc1ccco1 169305123 XEQYREPEFSTTRW-OAHLLOKOSA-N 355.394 2.157 0 3 FEAF COCCCN1C[C@H]2C(CNC(=O)c3cccn4cc(C(C)C)nc34)[C@@H]2C1 1857647830 VRFDUPUIVSYUKE-ROUUACIJSA-N 370.497 2.402 0 1 FEAF COc1ccc(OC)c([C@H]2CCc3nc4nc(N)nc(N)c4cc3C2)c1 1659298 QJVOFYKQGZCPMC-JTQLQIEISA-N 351.410 2.479 0 1 FEAF F[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H]1OCc1nc2cccnc2[nH]1 2356373376 YSJSSGBWSBICFZ-SUMWQHHRSA-N 370.384 2.426 0 1 FEAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4cnccc4[nH]3)C2)cn1 2356302381 UBECGIIIGZBVQG-CZUORRHYSA-N 357.389 2.101 0 1 FEAF NC[C@@H]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1 113650368 GYLLCLJHQCHMSV-LBPRGKRZSA-N 370.844 2.420 0 1 FEAF COc1ccc(C(C)=O)cc1CN1C(=O)[C@H](C)ON=C1c1ccccn1 61930191 DVBRADZZFVCZOQ-ZDUSSCGKSA-N 353.378 2.402 0 3 FEAF NC(=O)C1CCN(c2cc(-c3ccc4c(c3)OCCCO4)ncn2)CC1 66147941 RFMHZDIDBCEGOC-UHFFFAOYSA-N 354.410 2.007 0 1 FEAF O=c1c(-c2ccc(O)cc2)coc2cc(OP(=O)(O)O)cc(O)c12 1547179 GSOUXJJPMSMGJT-UHFFFAOYSA-N 350.219 2.343 0 1 FEAF biogenic COc1ccc(-c2cc3c(=O)n(CC(=O)NC4CCCC4)ccn3n2)cc1 71928117 YZCYGVINIHMFSX-UHFFFAOYSA-N 366.421 2.230 0 1 FEAF C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H]2C[C@@]3([C@@H](C(=O)CO)CC[C@H]13)[C@H](O)O2 40447814 QUQBHBRVKLEOEI-PXQYIYMTSA-N 360.450 2.003 0 1 FEAF NS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 146796565 MXLRDIPLCLKEJL-UHFFFAOYSA-N 366.874 2.302 0 1 FEAF CC1(C)[C@H]2CC[C@@]13C(=O)[C@H]1O[C@@]3(C2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 254209956 ZUGTUFHISUSUOV-VBCZAXDRSA-N 351.402 2.339 0 1 FEAF N[C@@H]1N=CNc2c(CN3C[C@H](O)[C@H](CSc4ccccc4)C3)c[nH]c21 253837819 XVSWVJFTPOVCJR-DHSIGJKJSA-N 357.483 2.011 0 1 FEAF Nc1ccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C(F)(F)F)c1 587095753 UCADOBJHTHRRHF-UHFFFAOYSA-N 356.329 2.478 0 1 FEAF CCCNC(=S)Nc1ncnc2c1cnn2CCN1CCCCCC1 206292487 LQXNEEICCKXMOP-UHFFFAOYSA-N 361.519 2.399 0 1 FEAF O=C(C(=S)N1CCOCC1)c1ccccc1I 1772579808 LVOOIKYXCQVLCT-UHFFFAOYSA-N 361.204 2.134 0 1 FEAF COc1c(C)cc(C(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C 11663048 GWCFSNINLYNWMM-CQSZACIVSA-N 354.472 2.013 0 3 FEAF Cc1c(C)n(Cc2ccc(Cl)c(Cl)c2)c(=O)n(CC(=O)O)c1=O 13649909 KNCPLPBYGMTWPB-UHFFFAOYSA-N 357.193 2.067 0 1 FEAF CCCCCC[C@H](O)CCCCCCC(=O)CCN(O)C(=O)[C@H](N)CO 14612882 FRMSDVSQWDGNEK-FUHWJXTLSA-N 374.522 2.155 0 1 FEAF biogenic C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccnnc4)c(=O)n1c23 1857539522 LPBXRWMHVOVMSY-SNVBAGLBSA-N 368.368 2.073 0 1 FEAF CCCC(=O)OCSc1ccccc1C(=O)N[C@H]1CCC[C@@H]1C(N)=O 1857548982 JHZJIGKQOBIWRE-JSGCOSHPSA-N 364.467 2.463 0 1 FEAF Clc1cnccc1-c1nc(NCCCc2nn[nH]n2)c2ccncc2n1 1857557648 NUNIVFPHSPPLFI-UHFFFAOYSA-N 367.804 2.298 0 1 FEAF CC[C@]12CCCN3C[C@H](O)c4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@H]32 2356330993 TXHURIYMDHQMPV-CEDBRAGKSA-N 370.449 2.443 0 1 FEAF CO[C@@H](Cc1ccc(O)cc1O)C(=CCc1ccc(O)cc1O)C(=O)O 2356458876 VMKRQTKNZYSPSG-SFHVURJKSA-N 360.362 2.320 0 1 FEAF O=C(O)c1ccc(CN2C[C@H]3[C@@H](C2)OCC(=O)N3c2ccccc2)cc1 2356286124 STOCTGHJKNBBDL-ZWKOTPCHSA-N 352.390 2.001 0 1 FEAF COC(=O)C1=C(C)N(CC[C@H](C)O)C(=O)N(C(C)=O)[C@H]1c1ccccc1 36382035 PUCNFVPQXONYBI-SJCJKPOMSA-N 360.410 2.230 0 1 FEAF COCCN1CC[C@H]2CN(C(=O)c3ccc(OC)cc3)CC[C@H]2CC1=O 15673842 QIALMPMPQOWVHM-IRXDYDNUSA-N 360.454 2.042 0 1 FEAF biogenic CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(CCO)[C@@H]1c1ccccc1 84655421 FZGSNPWVRXMVGT-LJQANCHMSA-N 366.417 2.492 0 1 FEAF COc1cc2c(cc1OC)[C@H]1C[C@H](N)[C@H](N3CCCCCC3=O)CN1CC2 45347163 HNCSYKUUKHXRCJ-RCCFBDPRSA-N 373.497 2.105 0 1 FEAF Cc1nc(-c2cnc(N)nc2)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 221282218 UNSGVAQYHNHOOX-OAHLLOKOSA-N 360.421 2.454 0 1 FEAF C[C@@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC(=O)[C@]1(C=COC1)O2 139393281 MRHAMHQNBQNENT-IYIKMHAFSA-N 350.455 2.203 0 1 FEAF COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F 95894330 IAAUQCZXORERDR-DYXWJJEUSA-N 370.424 2.148 0 1 FEAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CN(C)C1 95666529 HEFZDAQLWCISQW-QGZVFWFLSA-N 369.465 2.035 0 1 FEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Cl)nc2[nH]1 586960473 XVUZKPZHIQUBBF-CQSZACIVSA-N 352.803 2.080 0 1 FEAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(N)ncnc3[nH]2)c1 587202212 BBVHMKOYXPEEFT-UHFFFAOYSA-N 353.386 2.452 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCNC(=O)C4)cc1)[C@@H](C2)C3=O 587440587 BMDJMNADBYSBBU-KKSFZXQISA-N 364.401 2.120 0 1 FEAF Cc1nn(C)cc1[C@@]1(CC(=O)C(F)F)NCCc2c1c(C(C)C)nn2C 962922260 QVPSTVRBRVQDDW-GOSISDBHSA-N 365.428 2.199 0 1 FEAF Nc1cnc([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963177516 IQKMRTWRCTZELM-MFKMUULPSA-N 372.734 2.419 0 1 FEAF CCc1cccc2c1[C@@]1(N[C@H](C(=O)O)Cc3ccc(O)c(C)c31)C(=O)N2 963553135 ROKCXZUBAOBIFW-VBKZILBWSA-N 352.390 2.058 0 1 FEAF COc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1ccccc1)C2 13584486 UERAFUWGDPQYCU-UHFFFAOYSA-N 360.479 2.422 0 1 FEAF N=C(N)c1ccc(-c2csc(NC3CCN(CCC(=O)O)CC3)n2)cc1 13765825 NGFVZWHCEMEVGN-UHFFFAOYSA-N 373.482 2.445 0 1 FEAF O=C1Nc2ccccc2C2=NC[C@H](CN3CCN(c4ccccc4)CC3)N12 13832332 MDMDMJARXDBLCG-QGZVFWFLSA-N 361.449 2.485 0 1 FEAF COc1ccccc1O[C@@H]1CC[C@H](NC[C@H]2COc3ccccc3O2)[C@@H]1O 169362591 VEWHQFCTRYPEDT-YJPXFSGGSA-N 371.433 2.396 0 1 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4nccn4C)c(=O)n1c23 1857576580 GWUPXIMMPAEHER-JTQLQIEISA-N 370.384 2.017 0 1 FEAF O=C(CN1CCN(c2ccccc2F)CC1)Nc1nc2ccccc2[nH]1 1857761058 QXPFMRGCVCLWNM-UHFFFAOYSA-N 353.401 2.463 0 1 FEAF CCCC(=O)O[C@@H]1[C@H](O)C=C2CCN3Cc4cc5c(cc4[C@@H]1[C@H]23)OCO5 2356332573 HSXFFYXJBILABT-PPRPKMEESA-N 357.406 2.100 0 1 FEAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4040742 NWSDAMSPURXNMO-SCTDSRPQSA-N 371.437 2.325 0 1 FEAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCO 4152585 LKGAPAACVOHDSQ-DOTOQJQBSA-N 360.435 2.347 0 1 FEAF CCc1ccc(C2=NN(CCC(=O)NC[C@@H]3CCCO3)C(=O)CC2)cc1 4668352 OEXFDXKHYXOYJJ-KRWDZBQOSA-N 357.454 2.261 0 3 FEAF COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NC[C@H]1CCCO1 7005261 PJNNXXYLXKJKSA-CQSZACIVSA-N 366.439 2.424 0 1 FEAF COCCCNS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC 7005290 MMEGIPYLWCJUQM-UHFFFAOYSA-N 354.428 2.282 0 1 FEAF O=C(NC1CCCCC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 101242307 ZWUANCSARYZRFS-YZLZLFLDSA-N 372.490 2.479 0 1 FEAF Cc1ccc(-c2cc(C(=O)O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 28710934 WVVMXACTNGMBBT-UHFFFAOYSA-N 357.391 2.193 0 1 FEAF O=C(NCc1ccc(F)c(Cl)c1)c1c(O)c2cccnc2n(O)c1=O 103253100 ZMWNOXHZOQBNOQ-UHFFFAOYSA-N 363.732 2.062 0 1 FEAF O=C(O)C[C@H]1CCN(C2CCOCC2)C[C@@H]1Cc1nc2cnccc2[nH]1 2356305735 BVLNEEDOQSEPEC-KGLIPLIRSA-N 358.442 2.092 0 1 FEAF O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1ccccn1 64499043 DSIIVFOHCNUDPL-LCYFTJDESA-N 355.375 2.423 0 1 FEAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Sc1nnnn1C 27869678 UEEKZLINIRLQBC-AWEZNQCLSA-N 374.470 2.187 0 1 FEAF CO[C@H]1CC[C@@H](c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O 26823763 WVXAUICBQMLGGS-WDYCEAGBSA-N 374.437 2.390 0 1 FEAF C[C@@H]1[C@H](C(O)O)O[C@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)[C@H](C)[C@@H]1C 95626105 DCVIOAHIQDCAHO-QPKNWAAISA-N 364.438 2.257 0 1 FEAF in-man CC(=O)c1cccc(N2CC(=O)N(c3cccc(C(C)=O)c3)CC2=O)c1 98083651 PGPXBNYOLVPZKY-UHFFFAOYSA-N 350.374 2.472 0 1 FEAF CCCCCOc1cc2nc([C@@H](O)[C@H](O)CO)[nH]c2cc1Br 586894240 YYUCWCIBFPORGN-OCCSQVGLSA-N 373.247 2.281 0 1 FEAF Cc1ccc(C)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 586941104 FUZHSQVMRSFYIO-UHFFFAOYSA-N 373.434 2.429 0 1 FEAF COc1ccc([C@@H]2[C@@H](C(C)=O)C(=O)C(=O)N2c2nccs2)cc1OC 169688098 AOBWYIJNNZTAQF-ZIAGYGMSSA-N 360.391 2.023 0 1 FEAF Cc1ccc(S(=O)(=O)n2c(O)c3n(c2=O)Cc2ccccc2C3)cc1C 169692734 GUGPNKBEZZUPOG-UHFFFAOYSA-N 370.430 2.162 0 1 FEAF CN(C)C(=O)[C@H](CC1CC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 207351681 TUCVCASZRHBXAA-HNNXBMFYSA-N 372.469 2.130 0 1 FEAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@@H]4CCCCN4)c(=O)n1c23 1857571620 QIMVMRUZAKQGGD-RISCZKNCSA-N 373.428 2.225 0 1 FEAF CCN1C(=O)c2cccc3c(S(=O)(=O)N4CC[C@H](OC)C4)ccc1c23 1857633866 VZWKOHJYSFSCDD-LBPRGKRZSA-N 360.435 2.229 0 1 FEAF COP(=O)(OC)[C@@](O)(c1ccccc1)[C@@H](O)[C@@H](O)c1ccccc1 1656850 IFNOFTADTUSLHP-ULQDDVLXSA-N 352.323 2.412 0 1 FEAF CC[C@@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@]1(C)CC[C@@H](C(CO)CO)C1=CC[C@@]2(C)O 2356447327 OHNVMRBSEQNCQL-OOGZEIJMSA-N 352.515 2.498 0 1 FEAF CCN(CC)CCNC(=O)/C(=C\c1cccn1C)NC(=O)c1cccs1 4983479 VKJDZDRYUUBSCY-JQIJEIRASA-N 374.510 2.316 0 3 FEAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@@H]3CCC[C@@H]4[C@H](O)C(C(=O)O)=C(C1)[C@@]342 2356847610 OYAAECDZXFHFIA-JBEOEGFRSA-N 373.497 2.195 0 1 FEAF CC1(C)OCCn2c1nc(-c1cc(Cc3ccc(F)cc3)[nH]n1)c(O)c2=O 1911583876 IQZNSAFGVOKOAB-UHFFFAOYSA-N 370.384 2.334 0 1 FEAF CNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1 221716533 YAIFMBBJHJRLEF-UHFFFAOYSA-N 364.405 2.375 0 1 FEAF NS(=O)(=O)c1c(F)c(F)c(-n2cc(-c3ccccc3)nn2)c(F)c1F 299825298 BQSMCBHXUFYLPL-UHFFFAOYSA-N 372.303 2.138 0 1 FEAF CN(C)S(=O)(=O)CCc1nc2cc(Cl)cc(Br)c2[nH]1 586931031 SGKAXUAREAHHLD-UHFFFAOYSA-N 366.668 2.413 0 1 FEAF O=C(NC1COC1)c1cc2c(N3CCC[C@@H]3c3cccnc3)ccnc2[nH]1 1772590440 JVVRGEIOEOLTCM-QGZVFWFLSA-N 363.421 2.428 0 1 FEAF Cc1nc2c(cc1-c1cncc(C3(O)CCOCC3)c1)CCCN2C(N)=O 1772629145 NEZDPXXXKIQSCA-UHFFFAOYSA-N 368.437 2.281 0 1 FEAF C[C@]1(CN)CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 5929817 AIWSQUJKUKZFDQ-LJQANCHMSA-N 359.401 2.349 0 1 FEAF CC(C)N(CCO)C(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 11815302 UDMXZMIRSPJMLC-HNNXBMFYSA-N 352.862 2.308 0 1 FEAF CCn1ccnc1CN(C)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12431867 XQDOGFFXFKNBHW-MRXNPFEDSA-N 372.444 2.439 0 3 FEAF CN1CCN(c2cccc3c2CCN3S(=O)(=O)c2ccccc2)CC1 1857588002 RKMYLISJWSNMBG-UHFFFAOYSA-N 357.479 2.190 0 1 FEAF CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 2652654 YVAAGWBTLHBBEE-SFHVURJKSA-N 374.462 2.410 0 3 FEAF O=C(NC[C@@H]1OC[C@@H](NC2CCC(F)(F)CC2)[C@@H]1O)Nc1ccccc1 2356287230 FMBCXEFOFCZZKY-PMPSAXMXSA-N 369.412 2.104 0 1 FEAF CCc1nnc(NC(=O)CCC(=O)Nc2ccc(OC)cc2OC)s1 9359981 XVPLHUBUHPRVLX-UHFFFAOYSA-N 364.427 2.475 0 3 FEAF CNC(=O)c1cn2c(-c3ccc(O)cc3)nc3c(NC)c(F)cc(c1=O)c32 101699669 NKADNYQFOZQCPH-UHFFFAOYSA-N 366.352 2.199 0 1 FEAF O=C(O)CCC/C=C\C[C@@H]1[C@H](NS(=O)(=O)c2ccccc2)C[C@@H]2O[C@@H]21 26404807 HWZODOOORTWWEA-FLTLNLDSSA-N 365.451 2.322 0 1 FEAF CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccccc1 2356510242 RGGZJJQAMCJCBP-BZSNNMDCSA-N 365.543 2.017 0 1 FEAF Cn1nc(N2CCCC2)nc1CCc1nc2cccc(C(F)(F)F)n2n1 210679014 IOBJEJHWDNBSKU-UHFFFAOYSA-N 365.363 2.262 0 1 FEAF Cc1ccc(S(=O)(=O)N2C=Cc3cc(C)sc3B2O)c(Cl)c1 195047139 GWWDAPFHYOISDP-UHFFFAOYSA-N 353.661 2.381 0 1 FEAF Cc1ccccc1-c1nc(C(=O)NCC(=O)NCc2ccccc2N)co1 82071956 PSPGKSPXQGRORH-UHFFFAOYSA-N 364.405 2.278 0 1 FEAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(N)=O 89456642 WMPFHESYRCKVAE-ONHUYGEDSA-N 353.503 2.444 0 1 FEAF CCc1nc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3N)C2)cs1 82069377 PVNNZHUNRKIJSN-CQSZACIVSA-N 372.494 2.456 0 1 FEAF CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2ccco2)NC(=O)N1 95591162 WPQATFJCSUYITP-INIZCTEOSA-N 356.334 2.380 0 1 FEAF CNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3C)CC2)n1 96271657 IDWDVOICHIEHPL-UHFFFAOYSA-N 354.458 2.063 0 1 FEAF C=CS(=O)(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(OC(F)(F)F)cc1 618020226 NUHMXDSGHVTTBR-STQMWFEESA-N 362.373 2.317 0 1 FEAF CCCCS(=O)(=O)N[C@@H](c1nc2c(C(=O)OC)ccnc2[nH]1)C(C)C 586932568 HECDHXSRYJXDIJ-GFCCVEGCSA-N 368.459 2.161 0 1 FEAF CC(C)(C)OC(=O)NCCNC(=O)n1ncc2ccc(Cl)cc2c1=O 587653633 ZSKWUFIIQBUJRF-UHFFFAOYSA-N 366.805 2.132 0 1 FEAF Nc1cc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2cc1N 587127559 XETKZYMBKRQVDB-UHFFFAOYSA-N 357.317 2.083 0 1 FEAF CN1CCN(c2ccc3nc(Cc4ccc(C(=O)O)cc4N)[nH]c3c2)CC1 587249309 GHQHHNSJNJQOBO-UHFFFAOYSA-N 365.437 2.186 0 1 FEAF CN1c2ccccc2C(=O)[C@@H](C(=O)Nc2ccc(Cl)cc2)S1(=O)=O 18119009 PLFUTXCYZIMISZ-HNNXBMFYSA-N 364.810 2.310 0 1 FEAF O=C(NC1CC1)c1nn2c(c1-c1ccnc(OC(F)F)c1)OCCC2 1857641069 MYBATSJXBUMOOH-UHFFFAOYSA-N 350.325 2.221 0 1 FEAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCCN2CCCC2)cc1 2465002 GGZKNJDATXWRKB-FQEVSTJZSA-N 358.486 2.095 0 1 FEAF C[C@]1(CO)[C@H](O)CC[C@]2(C)[C@H]1CCC1=C[C@H]3C[C@@]12CC[C@@]3(O)C(=O)O 2356323647 CRKXFQVLMHNMQV-UYXVUSGVSA-N 350.455 2.098 0 1 FEAF C[C@H]1CC[C@H](Oc2nc(N)c3c(=O)ccn([C@@H]4CCC[C@H]4O)c3n2)CC1 102993215 MHTYRJRAANRRFD-XJFOESAGSA-N 358.442 2.417 0 1 FEAF CC[C@H](C)NC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 20562969 SSIOQCHUCVASJH-LBPRGKRZSA-N 353.426 2.114 0 1 FEAF Cn1c(N2CCN[C@H](c3ccccc3F)C2)nc(-c2ccncc2)cc1=O 116774443 HLYGYLZFSUPNIX-SFHVURJKSA-N 365.412 2.132 0 1 FEAF CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)C[C@H]1CC(=O)O[C@H]1O 26744030 CTJZWSVZYAAOKF-HDMKZQKVSA-N 363.410 2.168 0 1 FEAF CCCc1ccc2oc(C(=O)N3CCN(CCC(N)=O)CC3)c(C)c2c1 23340454 KJIFABYNOPIIBZ-UHFFFAOYSA-N 357.454 2.327 0 3 FEAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H](OC(=O)C[C@H](C)CO)C1 2356455433 TZWLJFAUVXXQDV-XMJRAMJNSA-N 366.454 2.143 0 1 FEAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2c(C)noc2C)CC[C@@]1(C)O 2356477262 YXVWHFODCHPPMT-VAMGGRTRSA-N 357.454 2.494 0 1 FEAF COc1cccc(CN2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@@H]3C2)n1 2356516804 KHLOCHCDDLKPQH-SFHVURJKSA-N 370.428 2.351 0 1 FEAF CCC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C=CCCCC=C[C@H](O)C1=CC=CCC1 2356725616 RDGMNPKVEAUIJA-UQVNRYHBSA-N 366.498 2.150 0 1 FEAF COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c(C)c1 84669188 GBCLVBGBUWXYHU-UHFFFAOYSA-N 351.384 2.230 0 1 FEAF CC(C)n1c(=O)c(NCC2CC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205263 FBARFYYRONYYHE-INIZCTEOSA-N 354.454 2.450 0 1 FEAF Cc1noc2c(Cc3ccccc3)nn(Cc3n[nH]c(=S)n3C)c(=O)c12 84635747 MRBFULQPDSHXRX-UHFFFAOYSA-N 368.422 2.123 0 1 FEAF C[C@@H](NC(=O)C1(NC(=O)c2ccccc2)C2CC3CC(C2)CC1C3)C(=O)O 96916885 HMYJPEVFFJWTLB-JEWOCMGZSA-N 370.449 2.201 0 1 FEAF COc1ncc(NC(=O)c2cnc(C)cn2)cc1[C@]1(C)CCSC(N)=N1 147601146 NRKGBPFDYGIPKB-KRWDZBQOSA-N 372.454 2.108 0 1 FEAF O=C(O)C1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)CC1 587557013 FFOATWYMZCRYSL-UHFFFAOYSA-N 366.377 2.404 0 1 FEAF NS(=O)(=O)c1cccc2[nH]c(C(=O)Nc3ccccc3Cl)nc12 587060736 SWODICDPKMLURH-UHFFFAOYSA-N 350.787 2.116 0 1 FEAF COc1cc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)ccc1Cl 587368260 FHIOTCGLVPLLCQ-UHFFFAOYSA-N 361.741 2.392 0 1 FEAF CC[C@@H](c1nc2cnncc2[nH]1)n1cc(I)c(C)n1 587184042 BCKRVBGTQBGWJG-NSHDSACASA-N 368.182 2.462 0 1 FEAF CCNC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(Br)c1 169317266 NSASATJGQKYKFR-LBPRGKRZSA-N 374.279 2.328 0 1 FEAF COC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@]12NCCc1ccc(O)cc12 963353763 SLWYFTZYBVCMRA-SIKLNZKXSA-N 366.461 2.428 0 1 FEAF CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3C)nc12 169704255 AYXUQBNBYRQZDH-OAHLLOKOSA-N 354.389 2.273 0 1 FEAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)[C@H]5C[C@@]4(C(=O)O5)[C@H]3CC[C@]12C 2356431984 MUDOTJJLSYDVMT-KWNSJDQVSA-N 360.450 2.002 0 1 FEAF Cc1c(N2CC[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CCC3)c12 6520850 ITPVWIJZDUFBJC-LBPRGKRZSA-N 359.401 2.250 0 1 FEAF O=C(O)c1ccc(CN2C[C@H](F)[C@H](OCc3nc4cnccc4[nH]3)C2)cc1 2356484626 BKEPAJRRMBMRJN-WMLDXEAASA-N 370.384 2.395 0 1 FEAF COC(=O)[C@@]12C[C@H]3CN(CCc4c1[nH]c1ccccc41)[C@H]2C[C@H]3[C@H](C)O 2356770375 MUQIJJGJDAUUMI-YSHIWVFRSA-N 354.450 2.226 0 1 FEAF COc1ccc([C@@]2(C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)NC(=N)N(C)C2=O)cc1 1911580741 NYXCEDBEACLWMP-GIXWELFOSA-N 369.465 2.218 0 1 FEAF O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1ccccc1-2 220209082 HXFGGIYOVRZGFD-AWEZNQCLSA-N 363.373 2.080 0 1 FEAF Cn1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2c1=O 222371973 QJYRTBVKAJEXQS-UHFFFAOYSA-N 365.437 2.425 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@H]2[C@]1(C)O 238735407 BOOUTSYULZVFNI-JSOSOPNTSA-N 364.438 2.387 0 1 FEAF CCC(CC)C(=O)N1CC[C@@H]2NC(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 25410322 GENZJBBHJFFIMV-JKSUJKDBSA-N 359.426 2.157 0 1 FEAF biogenic COCCNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]2N1C 263591781 MZZDTQXXKZJNQU-MNEFBYGVSA-N 364.449 2.327 0 3 FEAF COC(=O)[C@]12CCCC=C1CN1C(=O)Cc3cc(OC)c(OC)cc3[C@@H]12 85951089 FKYQOSNSDKCQHQ-UYAOXDASSA-N 357.406 2.413 0 1 FEAF biogenic Cn1cc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)cn1 473155086 PAKQZSJYQOIVOH-UHFFFAOYSA-N 374.452 2.220 0 1 FEAF O[C@H](c1ccc(Br)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 586997700 QSZUYERGCDINMM-CQSZACIVSA-N 371.198 2.383 0 1 FEAF Oc1nc(O)c(I)c(-c2nc3ccc(F)cc3[nH]2)n1 587182118 LNWUZGCPTLYKOK-UHFFFAOYSA-N 372.097 2.175 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4cc(N(C)C)ccc41)[C@@H](C2)C3=O 587435209 DNWYCXOTYTZDGH-YCRPNKLZSA-N 364.401 2.381 0 1 FEAF C=CN1CC[C@@H]([C@@]2(c3cnccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587397300 ZOSCVLSDJGLQBS-JLTOFOAXSA-N 364.405 2.220 0 1 FEAF CCOC(=O)CNc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587387940 VAOBDVWLIAGMQX-OAHLLOKOSA-N 356.382 2.049 0 1 FEAF CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4nc(O)nc(O)c4cc3CC[C@@H]21 587557301 IHOLQZJUAGFOLP-JQWIXIFHSA-N 358.398 2.475 0 1 FEAF Clc1ncc2nc(-c3cnn4cc(Br)cnc34)nc-2[nH]1 587007004 WFVLKFWUJHXEDP-UHFFFAOYSA-N 350.567 2.430 0 1 FEAF Cc1cc(O)nc(-n2nc(C)c(C(=O)N3CCc4ccccc4C3)c2C)n1 1857616246 GUILUKLFIDTRJS-UHFFFAOYSA-N 363.421 2.492 0 1 FEAF CCNC(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O 2356423862 DZEFVDKLTSIVDA-BQFCYCMXSA-N 359.426 2.112 0 1 FEAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)C(=O)CC[C@](C)([C@H]23)[C@]12CC[C@]1(COC(=O)C1)O2 2356544239 IKNNBDGBGVLCJD-ZPHIQMTQSA-N 362.422 2.178 0 1 FEAF COc1cc(C[C@H](C)[C@H](C)C[C@@]2([C@@H](O)C(C)=O)C=CC(=O)O2)ccc1O 2356588124 JGRCQBGEMXBGIJ-NJBCPNAKSA-N 362.422 2.407 0 1 FEAF O=C(O[C@@H]1CCN2C[C@H]3C[C@@H](C(=O)N4CCCC[C@@H]34)[C@@H]2C1)c1cc[nH]c1 2356744614 UWHDHUKDMHBCOD-DZVNLGKHSA-N 357.454 2.035 0 1 FEAF CCCCNc1ccc2c3c(cccc13)C(=O)N(CCNCCO)C2=O 63539613 ZFMQMTAMXRLLHN-UHFFFAOYSA-N 355.438 2.230 0 1 FEAF O=C(CCn1c(N2CCCCC2)nc2ccsc2c1=O)NCC1CC1 33308808 SJDRCVUZHGDXNV-UHFFFAOYSA-N 360.483 2.365 0 1 FEAF CN1CCC(C(=O)Nc2n[nH]c3c2CN(C(=O)C(C)(C)C)C3(C)C)CC1 45358385 DHJHGYYBWIWMJK-UHFFFAOYSA-N 361.490 2.313 0 1 FEAF Cc1ccc2c(c1)nnn2C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 49803821 WIOHCMPIMTWFLJ-GOSISDBHSA-N 370.363 2.197 0 1 FEAF Cc1ccc([C@@H]2SCC(=O)N2Nc2ccc(S(N)(=O)=O)cc2)cc1 84731404 QMKYHZIVDAMYDU-INIZCTEOSA-N 363.464 2.244 0 1 FEAF C/C=C/c1cc(=O)c(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c[nH]1 141161786 VPAOKPNCSUMTKK-AATRIKPKSA-N 357.362 2.443 0 1 FEAF NC(=O)c1ccc(N[C@@H]2CCNC[C@@H]2c2ccc(F)cc2)c2cncnc12 143684201 SCWYHQWISDGCJM-CRAIPNDOSA-N 365.412 2.425 0 1 FEAF CC(C)[C@@H](c1nc2c(O)nc(N)nc2[nH]1)N(C)C(=O)OCc1ccccc1 587198787 PGABLHILBYGZHQ-ZDUSSCGKSA-N 370.413 2.606 0 1 FEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587204284 OSMOCLYDLDENIH-LURJTMIESA-N 360.311 2.198 0 1 FEAF O=C(NC1CC1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655712 OZNVVQZKNQLSIK-UHFFFAOYSA-N 369.327 2.261 0 1 FEAF CCCc1c(O)ccc2c1O[C@](C(N)=O)(c1c(C)nn(C)c1C)CC2=O 587474398 DGNYZUGZAMJMND-IBGZPJMESA-N 357.410 2.041 0 1 FEAF COC(=O)[C@](C)(O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591908 IDTTUSPFKGOCTE-CCKFTAQKSA-N 358.346 2.037 0 1 FEAF COC(=O)c1ccccc1-c1cc(C(F)(F)F)nc(S(C)(=O)=O)n1 1772570423 IARSPZQLAVMSOT-UHFFFAOYSA-N 360.313 2.353 0 1 FEAF COc1cc(OC)c(OC)cc1CNc1ccc2nc(N)nc(N)c2c1 5888539 VPSFLLCJENAQMF-UHFFFAOYSA-N 355.398 2.432 0 1 FEAF Nc1ccc(S(=O)(=O)N(CCCO)c2ccnn2-c2ccccc2)cc1 13864525 CITJDWIHQHOAFD-UHFFFAOYSA-N 372.450 2.032 0 1 FEAF COc1ccc2[nH]c(=O)c(-c3nnn(-c4ccc(Cl)nc4)n3)cc2c1 15952726 SMYVBGRJTSSDTR-UHFFFAOYSA-N 354.757 2.228 0 1 FEAF CC1(C)[C@H]2CC[C@@]13C(=O)[C@@H]1O[C@@]3(C2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 17191176 ZUGTUFHISUSUOV-IWIOYNTFSA-N 351.402 2.339 0 1 FEAF COc1cc(CN2CC(=O)Nc3cc(C(=O)O)ccc32)cc(OC)c1OC 1857653689 NJSBERBRJCJXJU-UHFFFAOYSA-N 372.377 2.369 0 1 FEAF O=C(Nc1nn(C(=O)c2cccnc2)c(=O)s1)c1ccc(Cl)cc1 1659379 WDIMPSVYDLVGSS-UHFFFAOYSA-N 360.782 2.294 0 1 FEAF COc1ccc(-c2ccc(C3=NO[C@@H](CNC(C)=O)C3)cc2)ccc1=O 3985823 QWAWTNNQWBSDDT-QGZVFWFLSA-N 352.390 2.352 0 1 FEAF COc1ccc(CC[C@H](C)NC[C@H](O)c2ccc(O)c(C(N)=O)c2)cc1 27743838 VIYGIYCGBJATKS-DJJJIMSYSA-N 358.438 2.144 0 1 FEAF COc1ccccc1O[C@@H]1CC[C@H](NC[C@@H]2COc3ccccc3O2)[C@@H]1O 27419721 VEWHQFCTRYPEDT-CALQCPNCSA-N 371.433 2.396 0 1 FEAF CC(C)[C@@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(C(C)C)c2=O)N1 82206268 VFZBIKUJAQQFPR-HNNXBMFYSA-N 358.442 2.359 0 1 FEAF CC(=S)NC[C@@H]1CN(c2ccc(-c3nc(C)no3)c(F)c2)C(=O)O1 96928828 WJMUXBODIOAGNW-LLVKDONJSA-N 350.375 2.446 0 1 FEAF C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 95675528 PHXITHQOKRDDQC-JEDBISTDSA-N 374.481 2.079 0 1 FEAF O=C(Nc1cncc(Oc2cncnc2)n1)c1cc(Br)ccn1 299825590 LVSODIJLSCSIMR-UHFFFAOYSA-N 373.170 2.469 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1COCCO1 587868426 KXHAFEUUQWEYTM-NSHDSACASA-N 357.288 2.028 0 1 FEAF O=C1C=C(C(F)(F)F)N[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)N1 587502867 BSACVHUQVPLGEA-GUYCJALGSA-N 366.339 2.391 0 1 FEAF CC(C)c1nn(C)c2c1[C@]1(CCC[C@@H](c3cnc(O)nc3O)C1)NCC2 962913240 BWRKSUAQKPFLLR-CWTRNNRKSA-N 357.458 2.444 0 1 FEAF CC(=O)Nc1cccc2ccc(CCc3c(O)nc(O)nc3C(=O)O)cc12 1772588578 FDHKZJZWEILTCM-UHFFFAOYSA-N 367.361 2.483 0 1 FEAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@H](CO)[C@@H]2OC(=O)C(O)=C2O)cc1 169350032 YNKKAGIHMCBODM-KHIZAZIESA-N 364.394 2.146 0 1 FEAF N#CN1CCO[C@@H](C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)no2)C1 1857551902 UWWNACHRAHSQSE-CYBMUJFWSA-N 366.299 2.481 0 1 FEAF Cc1cnn(-c2ccncc2N2CCC(C(=O)N(C)[C@@H]3CCOC3)CC2)c1 1857619246 WJDNKNOXGKNDJU-QGZVFWFLSA-N 369.469 2.039 0 1 FEAF COC(=O)N[C@@H]1CSC[C@H]1OC(=O)c1ccc(Br)cc1 2855807 MSJQIJWBTUHVCV-GHMZBOCLSA-N 360.229 2.446 0 3 FEAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@@H]2[C@H]1C 2356338785 CXAMELXYQHONHH-XUJRMXQASA-N 350.503 2.229 0 1 FEAF COCc1cc(C[C@@H]2CC[C@H](O)[C@H](CNCc3cccc(F)c3)O2)no1 2356390666 CDAPOCMMOKDPMG-WDSOQIARSA-N 364.417 2.201 0 1 FEAF COc1cc(C=O)ccc1OCc1cn(CC(=O)c2ccc(O)cc2)nn1 61931016 LBHJDRUPRJDOSU-UHFFFAOYSA-N 367.361 2.267 0 3 FEAF COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCN(C(N)=O)[C@@H](C)C3)c2c1 68206238 QZOPQHHJQNCUSY-NSHDSACASA-N 368.441 2.326 0 1 FEAF CCC(=O)N1CC[C@@](C)(C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 61904176 LZJBRFSGLYRHHP-GOSISDBHSA-N 350.415 2.300 0 3 FEAF Nc1nc(N)c2nc(CN3c4ccccc4C[C@@H]4C=CC=C[C@@H]43)cnc2n1 64373053 FSFDVEWPOBJBGK-WFASDCNBSA-N 357.421 2.258 0 1 FEAF NC(=O)c1cccc2cn(-c3ccc(C(=O)NCc4ccncc4)cc3)nc12 45349668 LPUWTXNWOOQQNV-UHFFFAOYSA-N 371.400 2.449 0 1 FEAF O=CN(O)C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 40933799 LZHNVLKCFOLVSY-PBHICJAKSA-N 356.426 2.490 0 1 FEAF Cn1c(=O)n(Cc2ccccc2Cl)c2c(N3CCC[C@@H](N)C3)ccnc21 199371025 PWZDGWJJGOKLAW-CQSZACIVSA-N 371.872 2.364 0 1 FEAF Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=N)O)cc1 87612851 KQNLJPQBNLBZFU-UHFFFAOYSA-N 356.407 2.378 0 1 FEAF CCCCN(CCCC)CCNC(=O)CNC(=O)c1csc(CC)n1 82072154 VKHWYJPFOWGUPT-UHFFFAOYSA-N 368.547 2.454 0 1 FEAF CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CC[C@H](O)C2)c1 45338809 OOUPVYXHLAIXAB-HNNXBMFYSA-N 368.499 2.433 0 1 FEAF O=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2c(c1=O)[C@H](O)CCC2 49113230 JJVKFVPYAQXWKW-QGZVFWFLSA-N 365.389 2.150 0 1 FEAF CN1CCN(c2ccc3c(c2)n2ncc(-c4ccccc4)c2[nH][n+]3=O)CC1 377811538 UBKWASVPADPHEH-UHFFFAOYSA-N 361.429 2.149 0 1 FEAF CNS(=O)(=O)c1cc(-c2nc3c(C(F)(F)F)cccc3[nH]2)n(C)c1 586946954 GKWAZEPDUJNCEM-UHFFFAOYSA-N 358.345 2.495 0 1 FEAF CC(C)(C)OC(=O)NC[C@H]1Cc2c3cccc2[C@]2(C=COCC2=O)N1C3 962643847 WOUANFMJQLOISF-VLIAUNLRSA-N 356.422 2.260 0 1 FEAF O=P(O)(O)[C@@H](NCc1ccccc1)c1cccc2nc(O)c(O)nc12 13440487 DFZIWVYVVZHQPY-MRXNPFEDSA-N 361.294 2.007 0 1 FEAF CCCn1c(=O)c2[nH]c(-c3ccc(NC(C)=O)cc3)nc2n(CCC)c1=O 13473640 KBKWBAQGXNNSST-UHFFFAOYSA-N 369.425 2.332 0 1 FEAF Nc1nc2c(nc(Br)n2[C@@H]2CCCc3ccccc32)c(=O)[nH]1 3842935 OMOSNQLPEPIWFS-SNVBAGLBSA-N 360.215 2.390 0 1 FEAF CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)c(F)c2)C(=O)O1 3955485 CODRSYHZEISSJM-HNNXBMFYSA-N 370.384 2.202 0 1 FEAF CN(C)CCCN1C(=O)C(=O)[C@H](C(=O)c2cccs2)[C@@H]1c1ccco1 100297994 ACDDETXCNPCMGK-GJZGRUSLSA-N 360.435 2.244 0 1 FEAF C[C@]1(C(=O)O)[C@H](O)CC[C@]2(C)[C@H]1CCC1=C[C@H]3C[C@@]12CC[C@@]3(O)CO 2356492743 BUHBLMJCWYBYOC-SYKPSTJLSA-N 350.455 2.098 0 1 FEAF COc1cc(C=CCO)cc2c1O[C@@H](c1ccc(O)c(CO)c1)[C@H]2CO 2356539659 VRNSHBSCENBOKC-LPHOPBHVSA-N 358.390 2.108 0 1 FEAF CC(C)=CC(=O)O[C@H]1C[C@H]2O[C@]23C[C@@]2(O)OC(=O)C(C)=C2C[C@]3(C)[C@H]1C 32296387 WPFQQVQRNHAKQJ-AUZPMGFGSA-N 362.422 2.404 0 1 FEAF biogenic,in-vitro Cc1nc(N2CC(c3nc4ccccc4[nH]3)C2)cc(-n2nc(C)nc2C)n1 143106199 AEPMADCGUZBTIY-UHFFFAOYSA-N 360.425 2.463 0 1 FEAF O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 95894597 FZJHIVUYMAQMIZ-OFQRWUPVSA-N 368.355 2.051 0 1 FEAF O=C(O)Cn1c(=O)c(Oc2cc(O)cc(O)c2)nc2ccc(Cl)cc21 473081554 CNPLMOZILFFVAR-UHFFFAOYSA-N 362.725 2.338 0 1 FEAF C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587654676 MZRXKEZPBQXWQZ-YNEHKIRRSA-N 363.845 2.435 0 1 FEAF Cn1nc(C(F)(F)F)cc1C(=O)n1ncc2ccc(Cl)cc2c1=O 587651283 GPBPHRXJVRHERN-UHFFFAOYSA-N 356.691 2.491 0 1 FEAF CC(C)C[C@H](NC(=O)c1ccc(C(C)C)cc1)C(=O)N[C@@H]1COCC1=O 26156356 HGQYNEJDJIDFBY-DLBZAZTESA-N 360.454 2.039 0 1 FEAF COc1cc([C@H](CC(=O)O)[C@H]2N(C)C(C)=C(C)N2O)cc(OC)c1O 2356824461 GUXQJCWOBZLHLC-SJCJKPOMSA-N 352.387 2.182 0 1 FEAF CC(C)(O)c1nc(-c2cccc3[nH]ccc23)nc2c1OC[C@@H]1COCCN21 218072797 GJFMOWCJOAOSCY-LBPRGKRZSA-N 366.421 2.450 0 1 FEAF O=C1c2c(c3n(c(=O)c2O)CCC3)C(=O)N1Cc1ccc(F)c(Cl)c1 71318305 HEVGDZLXWKYNQT-UHFFFAOYSA-N 362.744 2.089 0 1 FEAF CC[C@@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2 149291905 UVKPJIHODHUWCZ-WFASDCNBSA-N 353.216 2.177 0 1 FEAF O=C1CC2(CCCC2)Oc2cc(OC[C@@H](O)CN3CCOCC3)ccc21 95589947 FCNKPQDTPMQTLR-HNNXBMFYSA-N 361.438 2.037 0 1 FEAF CC1=C(C(N)=O)[C@H](c2ccc[nH]2)N2NC(SCc3ccccc3)=NC2=N1 473135368 HTRYOSAKVIWSKN-HNNXBMFYSA-N 366.450 2.294 0 1 FEAF CN(Cc1cccc(Cl)c1)C(=O)Cc1ccc2c(O)nc(O)nc2n1 587368202 DYOQPYRJUHLZSV-UHFFFAOYSA-N 358.785 2.291 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1 587150212 LESOQOXJPBVBBQ-HNNXBMFYSA-N 366.393 2.140 0 1 FEAF CC1(C)OC(=O)C(c2nc3c(Br)cnc(Cl)c3[nH]2)=C1N 587255215 IWEVLSMXRYTOAR-UHFFFAOYSA-N 357.595 2.379 0 1 FEAF O=C1C[C@]23CCN(CC4CC4)[C@@H]4C[C@@H](O)[C@@H]1C[C@@]42Cc1ccc(O)cc13 169291932 LOXFETCCXNYJIL-GPXNVTIDSA-N 353.462 2.401 0 1 FEAF O=C(NCc1cccnc1)c1csc([C@@H](O)c2ccc3c(c2)OCO3)n1 206022919 UQXWSAUSUBBWJU-INIZCTEOSA-N 369.402 2.279 0 3 FEAF Cc1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 3645021 ZYECGCRLWLBAIN-IKARSPCKSA-N 374.466 2.153 0 1 FEAF COc1cccc([C@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@H]2O)c1 28463114 ACWQRBMGRMYDBA-AEFFLSMTSA-N 358.394 2.131 0 1 FEAF Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)c4ccc(C#N)cc4)[C@@H]3C2=O)cc1 4260676 QETSSQGVUWCCBR-MSOLQXFVSA-N 374.400 2.206 0 1 FEAF biogenic CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(C)=O 95895439 KYJOFADOQIGSII-QHAWAJNXSA-N 370.424 2.304 0 1 FEAF O=C1CN=C(n2cnc(C3(O)CC3)c2)C=C2c3cccc(C4CC4)c3CCN12 149212961 DKCZEEORGGECFJ-UHFFFAOYSA-N 374.444 2.428 0 1 FEAF Fc1cccc(F)c1Cn1cc(CSC(=S)N2CCNCC2)nn1 96285720 OYHXRZZQVBHCRX-UHFFFAOYSA-N 369.466 2.028 0 1 FEAF COc1nc2c(cc1C(=O)NCCc1nc(C)c(C(=O)O)s1)CCC2 95529418 PUYWABOSBLGOEH-UHFFFAOYSA-N 361.423 2.015 0 1 FEAF COC(=O)[C@]12CCCC=C1CN1C(=O)Cc3cc(OC)c(OC)cc3[C@H]12 85951093 FKYQOSNSDKCQHQ-AZUAARDMSA-N 357.406 2.413 0 1 FEAF biogenic CC(C)NC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)nc2c1cnn2C 299849875 HLLWPJDBFOLQPZ-UHFFFAOYSA-N 372.450 2.177 0 1 FEAF COC(=O)Cc1cc(OC)n(-c2cnc(C)c(Br)n2)c1OC 587939888 DZBCGIUVXAVFHU-UHFFFAOYSA-N 370.203 2.071 0 1 FEAF Oc1nc(O)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2n1 587127596 YPBJQDICMWQJMA-UHFFFAOYSA-N 352.232 2.206 0 1 FEAF O=C(O)c1cccc2c1CCN[C@]2(C[C@@H]1COCCN1)c1ccccc1 963147087 NVXJKOGTVQDXLP-IIBYNOLFSA-N 352.434 2.153 0 1 FEAF CCNCCn1cc(-c2ccc(Cl)c(NC(=O)c3coc(=N)[nH]3)c2)cn1 1857558281 RDJAJMYWFQKNLB-UHFFFAOYSA-N 374.832 2.466 0 1 FEAF Cc1cc(O)nc(-n2ncc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)c2C)n1 1857582276 AEXGQVGIARFTOD-LLVKDONJSA-N 369.347 2.399 0 1 FEAF NCCOc1cc(C(F)(F)F)c2ccc3nc(-c4nnco4)cn3c2n1 1857613689 JTRGZJBBDKWIFP-UHFFFAOYSA-N 364.287 2.289 0 1 FEAF CC(C)c1cn2cccc(C(=O)NC[C@H]3[C@@H]4CN(CC(C)(C)O)C[C@H]34)c2n1 1857754053 CPIDTJZSHBCIDB-OSYLJGHBSA-N 370.497 2.136 0 1 FEAF CCN1CCC[C@H]1CNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C 4930643 CXFDTEHCNSTDNH-ZDUSSCGKSA-N 352.438 2.234 0 1 FEAF O=C(O)CCC[C@@H](O)C=CC=CC=C[C@@H](O)CC=CCCCCC(O)O 2356285048 ZZSBUQYGAPWEOJ-ROUUACIJSA-N 368.470 2.449 0 1 FEAF C[C@@H](Nc1nc2cc[nH]c(=O)c2cc1C(=O)NCCN(C)C)C(C)(C)C 64549581 HMPHOYHOCDWJJO-GFCCVEGCSA-N 359.474 2.061 0 1 FEAF CCOC(=O)[C@@H]1[C@H](O)[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]43 2356612201 XETGZIYAYIKTDY-JUVIBUPPSA-N 366.461 2.067 0 1 FEAF CCOC(=O)N1CCN(C2=Nc3cc(F)ccc3Nc3nn(C)cc32)CC1 26575525 GBRDDIIRPZYCJH-UHFFFAOYSA-N 372.404 2.469 0 1 FEAF N[C@@H]1CCN2c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3CC[C@H]12 146887528 VEBOIOWTDZMWCD-HUUCEWRRSA-N 357.385 2.026 0 1 FEAF CC(=O)C[C@@H]1C[C@@H]2N3[C@@H](C[C@]24C(=O)N(C)c2ccccc24)[C@@H]1CO[C@@H]3C 34753938 FUFCKBIZSJGNAI-RKBASDMCSA-N 354.450 2.335 0 1 FEAF COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](C)CN2 82211204 ODVFIGJCBKKBTK-LBPRGKRZSA-N 370.409 2.001 0 1 FEAF C/C=C1/CN2CC[C@H]1[C@@]1(C(=O)OC)C(=O)[C@@]3(C=Nc4ccccc43)C[C@@H]21 238763779 YKPZGONKWNPTTK-KSTYEKMWSA-N 350.418 2.423 0 1 FEAF O=C(Nc1cccn2c(=O)cc(N3CCOCC3)nc12)Oc1ccccc1 473129453 GQMNCXQGHDCZDN-UHFFFAOYSA-N 366.377 2.142 0 1 FEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(C(=O)O)cc2[nH]1 586950847 DTLJIHQMQXRAEY-UHFFFAOYSA-N 352.397 2.065 0 1 FEAF Cc1cc2c(c(-c3cnccn3)c1)O[C@H](CNC(=O)[C@@H]1CCCN(C)C1)C2 12130860 ULOLRRVXTRJZTG-WBVHZDCISA-N 366.465 2.214 0 1 FEAF C[C@@H]1CCC/C=C/[C@@H]2C[C@@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C/C(=O)O1 169342829 ZZWKZQDOSJAGGF-PRTDCVSKSA-N 365.470 2.075 0 1 FEAF Cn1ncc(C(=O)N2CC[C@H](Nc3cc(=O)[nH]c4ccccc34)C2)c1Cl 169351297 OTMVWDGFNKTIFN-NSHDSACASA-N 371.828 2.242 0 1 FEAF O=C(NC[C@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccccc3C2)nc1 166637380 OXNCOQQHVXZABY-CQSZACIVSA-N 366.421 2.396 0 1 FEAF Oc1ccc(N2CCN(C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)nn1 26647775 ZZUIQJILULWGQX-CQSZACIVSA-N 369.252 2.345 0 1 FEAF COC(=O)CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O 25991662 LPHGVVGIAZFOIC-HNNXBMFYSA-N 355.431 2.061 0 1 FEAF NC1=C(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)N[CH]C=C1 2356851520 SXBHQVRQQPYXPC-UHFFFAOYSA-N 358.775 2.325 0 1 FEAF CC[C@@H]1CN2CC[C@]34c5ccccc5-n5c3c(cc(C(N)=O)c5=O)[C@H]1C[C@H]24 49111959 CDEKPRALPONZLA-VXRMTAITSA-N 361.445 2.137 0 1 FEAF COc1cccc(N2C(=O)N[C@H]3CCN(C(=O)c4cccs4)[C@H]3C2=O)c1 25229172 UQWXJPFKVHBDCW-DZGCQCFKSA-N 371.418 2.096 0 1 FEAF biogenic CN(C)S(=O)(=O)c1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c1 586907774 WUCSNPCYRKNJDY-YBEGLDIGSA-N 369.402 2.482 0 1 FEAF COc1cc(Cl)ccc1NC(=O)Cc1ccc2c(O)nc(O)nc2n1 587368876 QSRBWBYXJCRUCR-UHFFFAOYSA-N 360.757 2.279 0 1 FEAF CCOC(=O)C1(C(=O)OCC)CC2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441442 KMOZUTMUDOOHBN-CYBMUJFWSA-N 374.389 2.088 0 1 FEAF COc1cccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c12 587226999 HBHCWYRLYZKDGJ-UHFFFAOYSA-N 368.393 2.114 0 1 FEAF COC(=O)c1occc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228955 PENHFCZTTUOSRT-CVEARBPZSA-N 352.346 2.303 0 1 FEAF COC(=O)C[C@]1(C2CCC2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963226329 DSOAQWMQHNRIOU-FXAWDEMLSA-N 354.406 2.392 0 1 FEAF COc1ccc2c(C)nc(N3CCC[C@@H](C(=O)N[C@@H]4CCOC4)C3)nc2c1 14882189 JYHOJADUAALJLS-HUUCEWRRSA-N 370.453 2.068 0 1 FEAF O=C(Nc1ccccc1)[C@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]1O2 1857595204 NQAIMSVLFWTVQJ-SZMVWBNQSA-N 372.446 2.103 0 1 FEAF CCOC(=O)C1=C(N)Oc2cc(OC(C)=O)ccc2[C@H]1c1cccnc1 103253048 PSVXFJXJHSUBBL-MRXNPFEDSA-N 354.362 2.265 0 1 FEAF Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(O)c(F)c1 29056748 UHYFVRLAOSAAHV-UHFFFAOYSA-N 369.356 2.282 0 1 FEAF CC(C)(C)CC(=O)N1CCN2[C@@H](CN(Cc3ccccc3)C[C@]2(C)CO)C1 2356656718 XGDIPCZDUAVTBJ-SIKLNZKXSA-N 373.541 2.202 0 1 FEAF CC(C)(O)[C@@H](O)Cc1c(O)ccc(C(=O)CCc2ccc(O)cc2)c1O 13379890 ACJAQJHYAGLMOL-SFHVURJKSA-N 360.406 2.293 0 1 FEAF biogenic C[C@@]12C3=CC=C[C@@H]1[C@@]1(C)C[C@@H](c4ccoc4)OC(=O)[C@]1(O)C[C@@H]2OC3=O 238782410 IGIPLDOVXHPNGC-JTZLQOMOSA-N 356.374 2.453 0 1 FEAF COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(Nc5ccccc5C4=O)[C@H]3C[C@H]12 238747289 PXVFCFIYPGUUNJ-XSQRRLKQSA-N 368.433 2.220 0 1 FEAF Cc1noc([C@@H]2CCCN(c3cncc4sc(C(N)=O)c(N)c34)C2)n1 621430358 QWSUPTLCOUNFCT-SECBINFHSA-N 358.427 2.053 0 1 FEAF Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(F)cc2)C3=O)n1 653756006 YOUTZVVASPSQFT-UHFFFAOYSA-N 367.340 2.266 0 1 FEAF CN1CCN(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587593548 KEWSBEFOHZXDQX-RXVVDRJESA-N 368.433 2.360 0 1 FEAF COc1cc(-c2nc3cc(N)c(N)cc3[nH]2)ccc1OCC(=O)NC(C)C 587227114 ZBFAMTFTLPZGOI-UHFFFAOYSA-N 369.425 2.306 0 1 FEAF CC1=C[C@H]2C(=O)c3nccc(I)c3C(=O)[C@@H]2N=C1 1857548467 MWJXHAADDLCVPT-GMSGAONNSA-N 352.131 2.081 0 1 FEAF CC1=CN(c2ccc(S(N)(=O)=O)cc2)[C@H](N2C=CN(C)C=C2)S1 1772605409 CLUBYPXOTKFJIC-HNNXBMFYSA-N 350.469 2.222 0 1 FEAF CCOC(=O)c1sc(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)nc1C 5510627 KQSYOBQZSYZSAI-LNFKQOIKSA-N 350.396 2.090 0 1 FEAF O=C(CNCc1cccc(C(F)(F)F)c1)N1CCC2(CC1)OCCO2 206489689 SGENQBKGTFYZDY-UHFFFAOYSA-N 358.360 2.161 0 3 FEAF Cn1cc(-c2cc3c(-c4cccc(N5CCC(N)CC5)n4)n[nH]c3cn2)cn1 205250639 OZNVWRLWXYBLRC-UHFFFAOYSA-N 374.452 2.348 0 1 FEAF CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2CCCCCC2)C1=O 2943586 TXSVJAAYYMBAPG-SFHVURJKSA-N 373.497 2.491 0 3 FEAF CCOC(=O)C1CCN(Cc2nnc(-c3ccc4c(c3)OCO4)o2)CC1 6823330 RLFHSWGGDDOULT-UHFFFAOYSA-N 359.382 2.240 0 1 FEAF Cc1ccnc(NC(=O)C2CCN(c3ncnc4onc(C)c34)CC2)c1 20944709 ZRQGLFVETDAZIS-UHFFFAOYSA-N 352.398 2.485 0 1 FEAF COC(=O)CC[C@@H](CC(=O)OC)c1cnc(NC(=O)c2ccccc2)[nH]1 2356792415 JRPAOILMFDBXRD-ZDUSSCGKSA-N 359.382 2.262 0 1 FEAF C[C@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@@H](N)C4)cc3n21 63539369 SHNZBTHVGXHLLD-DTWKUNHWSA-N 363.414 2.043 0 1 FEAF Cc1nc2nc(N3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]c1=O 82231283 QKLICHKRPLRLGD-UHFFFAOYSA-N 350.422 2.201 0 1 FEAF CC1(C)[C@@H]2CC[C@@]13C(=O)[C@@H]1O[C@@]3(C2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 195489560 ZUGTUFHISUSUOV-NHPKDGGKSA-N 351.402 2.339 0 1 FEAF CC(C)C[C@@H](O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O 43009765 ZVOQGQCKCWWWMA-HNNXBMFYSA-N 351.509 2.470 0 1 FEAF O=C(c1ccc(C2CC2)c(OCC2CC2)n1)N1CC(O)(C(F)(F)F)C1 146205228 XZOHJYRAQOZUAV-UHFFFAOYSA-N 356.344 2.497 0 1 FEAF O=C([C@H]1CCCO1)N1CCC2(CC1)C(=O)N(CC1CC1)c1ccccc12 96063587 FGEMHLJIEKFRHH-GOSISDBHSA-N 354.450 2.482 0 1 FEAF COc1ccccc1CN1[C@H](CO)[C@H](c2ccccc2)C12CN(C(C)=O)C2 95793975 MBSOMLPYCNTFBE-CTNGQTDRSA-N 366.461 2.256 0 1 FEAF N=c1[nH]cc2nc(-c3cc(I)ccc3F)nc-2[nH]1 587182985 STFIMPFHWLBERN-UHFFFAOYSA-N 355.114 2.128 0 1 FEAF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3cccnc3N)[nH]c2c1 587254314 RARIGQRTVZXGCA-UHFFFAOYSA-N 359.455 2.161 0 1 FEAF CCn1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n1 962647105 XWPRKPSXDXHBSN-KBPBESRZSA-N 355.316 2.490 0 1 FEAF CC1(C)[C@H](OCCN)C[C@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962731008 PYGUUZVOHJNQDX-CKEIUWERSA-N 356.388 2.301 0 1 FEAF COc1ccc(-c2cnnc(N3CCN(c4ccncc4)CC3)n2)cc1F 12385607 AILQHOAWRSIWIV-UHFFFAOYSA-N 366.400 2.408 0 1 FEAF COc1ccccc1Nc1nc(NCCCCO)nc(N2CCCC2)n1 12480347 XCHYDCJZOYDVEW-UHFFFAOYSA-N 358.446 2.408 0 3 FEAF N[C@H](COCc1ccc(I)cc1)Cc1c[nH]cn1 13796547 YVXLGRUYYZPFBU-LBPRGKRZSA-N 357.195 2.101 0 1 FEAF CC(C)[C@@H](CN1CCCCCC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857745402 HPZBOMJZLBZUAY-WOJBJXKFSA-N 359.514 2.423 0 1 FEAF CC(=O)N1CCC(N2C[C@H](F)[C@@H](OCc3nc4ccccc4o3)C2)CC1 2356367864 JIAOQPNLCIXOKU-YJBOKZPZSA-N 361.417 2.378 0 1 FEAF COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C[C@@H](OC(C)=O)O[C@@H]1O2 2356414084 FTYMXWPNEIXDMV-VGEBCVCESA-N 372.329 2.042 0 1 FEAF CN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 20115932 YCBKBLPOSGXAKU-ROUUACIJSA-N 369.490 2.433 0 1 FEAF O=c1[nH]c2ccc(Br)cc2c(=O)n1CCCCn1ccnc1 26376928 GZUYVFRCZDOHKJ-UHFFFAOYSA-N 363.215 2.129 0 1 FEAF O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)CC[C@H]1F 28234237 HYBVDNATEUORDW-XHSDSOJGSA-N 373.446 2.353 0 1 FEAF NC(=O)[C@@H](Cc1ccccc1)c1cccc(CNS(=O)(=O)CC2CC2)c1 114245889 JLMQINUOMQKYQB-IBGZPJMESA-N 372.490 2.328 0 1 FEAF COc1cc([C@@H]2c3cc(OC)c(O)cc3C[C@@H](CO)[C@H]2CO)ccc1O 2356666746 OEZZQOVAJDAVSJ-XBHMSOGKSA-N 360.406 2.020 0 1 FEAF CCCn1c(=O)c2nc(C3CCC(C(=O)O)CC3)[nH]c2n(CCC)c1=O 29557778 ZVVKJJVTWDPGLA-UHFFFAOYSA-N 362.430 2.065 0 1 FEAF O=c1[nH]c2cccnc2n1C1CCN(C[C@@H]2COc3ccccc3O2)CC1 27900632 GSIBGHVZJLPEIO-OAHLLOKOSA-N 366.421 2.202 0 1 FEAF CCOC(=O)[C@]1(O)Oc2cc(OC)cc(OC)c2C(=O)[C@H]1c1ccccc1 3472312 BSEKDHRYMZTILL-YLJYHZDGSA-N 372.373 2.314 0 1 FEAF biogenic,in-vitro O=C1NCCN1c1ccc(S(=O)(=O)Oc2cc(F)c(F)c(F)c2)cc1 72107359 AMUKZSOWYCPHND-UHFFFAOYSA-N 372.324 2.401 0 1 FEAF COc1cc2nc(N3CCN(C)CC3)nc(NCC(C)C)c2cc1OC 82127409 WAHWARZBQVGFQY-UHFFFAOYSA-N 359.474 2.467 0 1 FEAF O=C(NC1CCC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F 140838517 ADBCBKUBMDFNBJ-UHFFFAOYSA-N 356.401 2.140 0 1 FEAF O=C(Nc1nc(Cc2nc3cnncc3[nH]2)cs1)c1cccc(O)c1 587019535 MZZCMGFYZVXSMR-UHFFFAOYSA-N 352.379 2.358 0 1 FEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(F)cnc(Br)c2[nH]1 587256582 LBHDOBQTJAZHSU-MRVPVSSYSA-N 373.226 2.461 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2c1 587781823 DCIPNIPTVOSGGO-UHFFFAOYSA-N 373.434 2.099 0 1 FEAF COc1ccc([C@@]2(CO)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963233001 SQWZXPFICZGOMY-TZIWHRDSSA-N 364.401 2.078 0 1 FEAF CCCn1c(=O)c2c(nc3[nH]c(CC)cn32)n(Cc2ccccc2)c1=O 13648060 AQSASUNPGDTELP-UHFFFAOYSA-N 351.410 2.160 0 1 FEAF Brc1cnc(N2CCOCC2)nc1Nc1cc(C2CC2)[nH]n1 203004591 CRGHXTUOOJTYEH-UHFFFAOYSA-N 365.235 2.420 0 1 FEAF CC(C)C1(C(C)C)NC(=O)N(CN2CCN(Cc3ccccc3)CC2)C1=O 1857561528 WDOPHSSAUYANAJ-UHFFFAOYSA-N 372.513 2.364 0 1 FEAF Cc1cc(-c2cnn(CCC(=O)N3CCc4ccccc4C3)c2)nc(O)n1 1857613097 SJDLCRKHLLJPET-UHFFFAOYSA-N 363.421 2.329 0 1 FEAF Cc1cccc(C)c1NC(=O)[C@H]1C(=O)c2ccccc2N(C)S1(=O)=O 4060500 IXCMAJGKYNJFSJ-QGZVFWFLSA-N 358.419 2.273 0 1 FEAF CN(C)c1ccc(C(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN2CCCC2)cc1 2356286065 NZMBDUUBCDRYKW-SBHAEUEKSA-N 370.541 2.289 0 1 FEAF CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@@H]1O 100201647 SRISWFJLVRCABV-VQTNNOLOSA-N 368.477 2.125 0 1 FEAF in-vitro CN(C)CC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1 100108927 KPENTCGBNVYYDU-KXTWHKPSSA-N 353.441 2.321 0 1 FEAF CC[C@]12C=CCN3CC[C@]4(c5ccccc5N(C)[C@@H]4[C@@](O)(C(=O)OC)C1)[C@H]32 2356495542 VCANAWRETHJMLW-MMGCJVFTSA-N 368.477 2.091 0 1 FEAF CCCc1c(O)ccc2c1O[C@](CCC(=O)OC)(C(=O)OC)CC2=O 34404789 SKMMYCPHDOTVQZ-SFHVURJKSA-N 350.367 2.175 0 1 FEAF CC(C)(O)[C@H](O)Cc1c(O)ccc2c1O[C@@H](c1ccc(O)cc1)CC2=O 15115072 MCDSHLATEYMKDN-QZTJIDSGSA-N 358.390 2.479 0 1 FEAF biogenic CCSCCNc1nc(N2CCN(c3ncccn3)CC2)ncc1C 82203369 DJEMAHBLKWOQOH-UHFFFAOYSA-N 359.503 2.067 0 1 FEAF NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1O[C@@H]1COCC[C@H]12 145630050 VXNSVIMZLURETA-VVFCZOMOSA-N 355.369 2.225 0 1 FEAF CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccc(Cl)cc2)nc1O 299816169 RYEBODLANJFWOH-UHFFFAOYSA-N 370.840 2.219 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C)c2cc(N(C)C)ccc21 587401061 SHHSNPWPCGUQBD-FQEVSTJZSA-N 351.406 2.480 0 1 FEAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(F)cc(F)c2[nH]1 587227605 QBVPZWNDWPUSJS-UHFFFAOYSA-N 374.347 2.384 0 1 FEAF COC(=O)CC[C@@H]1NC(=O)c2cc(Cl)ccc2N(CC2CC2)C1=O 1772604102 GBJYRTGYRDBSAB-ZDUSSCGKSA-N 350.802 2.148 0 1 FEAF C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O 3894648 NNNNVKKBPBVBKU-COXVUDFISA-N 350.484 2.068 0 3 FEAF aggregator C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 100829345 YOQIGAVHLYFIAF-OSMRKSMBSA-N 364.438 2.243 0 1 FEAF endogenous,in-man C[C@@H](NC(=O)Cn1c(NCCO)nc2ccccc21)[C@H]1C[C@H]2CC[C@@H]1C2 52715828 IMMAGYGNFBATCG-QKPAOTATSA-N 356.470 2.381 0 1 FEAF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(CN)cc1 29466726 DGYSYQAANWRVOW-UHFFFAOYSA-N 350.348 2.418 0 1 FEAF CC(C)[C@]1(O)C=C2[C@H](O)C[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@@]2(O)CC1 2356564123 IKFPEPLBKUUDDK-BRGLROSXSA-N 352.471 2.487 0 1 FEAF COCCOc1ccc2[nH]nc(-c3cc(N4CCO[C@H](C)C4)ncn3)c2c1 225555522 ULHKRIAGDOBEOX-CYBMUJFWSA-N 369.425 2.270 0 1 FEAF CCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)C[C@H](CC)N2 82207389 DJVJXXPXTBYIQP-AWEZNQCLSA-N 358.442 2.245 0 1 FEAF NC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)Nc3ccccn3)cc12 84670160 HTDIOMWIPPPMNP-UHFFFAOYSA-N 367.390 2.011 0 1 FEAF CC(C)C(=O)c1c(O)c2c(c3c1O[C@H](C(C)(C)O)C3)O[C@H](C(C)(C)O)C2 238763462 VPBDCGLRLMBBMF-STQMWFEESA-N 364.438 2.380 0 1 FEAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@](O)(CO)C3 238731230 DJQLZKDZWLXHRN-NCAZAWNWSA-N 352.471 2.178 0 1 FEAF C/C=C(\C)C(=O)O[C@@H]1[C@]2(C)[C@H](CC[C@H](O)[C@@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 257421590 FYNKIYMILKEXOG-YONGDJLOSA-N 364.438 2.340 0 1 FEAF endogenous,in-man O=C1c2ccc(O)cc2O[C@@]2(C=C(CO)OCC2=O)[C@H]1c1ccc(F)cc1 587355894 GVLLPWIKKJBZKX-AZUAARDMSA-N 370.332 2.105 0 1 FEAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1c(C)nn(C)c1C 587638366 OPHKZIJWWGIWEK-UHFFFAOYSA-N 355.350 2.234 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CS(=O)(=O)N(C)c3ccccc31)O2 587410493 NTEPOLCDIUZSKG-SFHVURJKSA-N 358.419 2.218 0 1 FEAF N[C@@H](N=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 958568025 RCBAOQSDCXKPMH-CABCVRRESA-N 367.814 2.348 0 1 FEAF C[C@]1(CCc2ccsc2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963220209 MQKKZSDWUNWXSW-DOXZYTNZSA-N 370.478 2.077 0 1 FEAF COc1ccc(Cl)cc1C(=O)NC(=O)NC1C[C@@H]2CC[C@H](C1)N2C 13454200 HXTFICGSLXPLSK-YHWZYXNKSA-N 351.834 2.413 0 1 FEAF CCOC(=O)N1CCN(c2ccc3nnc(-c4cccc(C)c4)n3n2)CC1 1857555471 FVFDGGRWCKJRGQ-UHFFFAOYSA-N 366.425 2.378 0 1 FEAF CS(=O)(=O)c1ccc(C(=O)c2c(Cl)cc3n2CC[C@@H]3C(=O)O)cc1 27899559 RDYPPCIXQUXZSU-NSHDSACASA-N 367.810 2.348 0 1 FEAF COC(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCN 28822798 KPZFAFRIBLBLTA-UHFFFAOYSA-N 358.423 2.486 0 1 FEAF CNc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1 84687836 OLEBEUBXGRKYMQ-UHFFFAOYSA-N 362.441 2.129 0 1 FEAF CCOC(=O)c1cnn(C[C@@H](C)O)c1NC(=O)Nc1cccc(F)c1 40395573 NGSQMHFHNWXHLS-SNVBAGLBSA-N 350.350 2.224 0 1 FEAF Cn1c(NC(C)(C)C)nc2c(-c3cc4n(c3)CCNC4=O)cccc2c1=O 222231162 JKWRFEXKHMHWOO-UHFFFAOYSA-N 365.437 2.356 0 1 FEAF Cc1ccc(CN(CC(=O)O)Cc2ccc(C(=O)O)c(C(=O)O)c2)cc1 473090566 WEUZDBFNTBWHSA-UHFFFAOYSA-N 357.362 2.478 0 1 FEAF COc1cc(C2=NCC(=O)Nc3cc4c(cc32)OCO4)cc(OC)c1OC 299869230 UHLOFKRYIRVDRH-UHFFFAOYSA-N 370.361 2.231 0 1 FEAF Oc1cc(O)nc(SCc2nc3c(Br)ccnc3[nH]2)n1 586966186 APPMSCKUPBAOPZ-UHFFFAOYSA-N 354.189 2.214 0 1 FEAF COC(=O)C[C@@]1(c2c(C)nn(C)c2C)CC(=O)c2cc(C)cc(N)c2O1 587391541 RZWHGOPKYCLYBV-LJQANCHMSA-N 357.410 2.351 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(N)nc4ccccc34)[nH]c2c1 587254295 QXJIXWNGHCBXJJ-UHFFFAOYSA-N 367.434 2.611 0 1 FEAF C[C@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)NCCc2nc3ccccn3c21 962989470 QIPSUVQWMRYASX-OAQYLSRUSA-N 374.400 2.283 0 1 FEAF CCNC(=O)c1noc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 169310171 ULOTVDWTJKRHPG-UHFFFAOYSA-N 373.409 2.157 0 1 FEAF C=C1C(=O)O[C@H]2CC(CO)=CCCC(COC(=O)[C@H](C)[C@H](C)O)=CC[C@H]12 253638301 JTFXNPPZNWSQAJ-OLUCIUBSSA-N 364.438 2.063 0 1 FEAF O=C(Nc1cccc(F)c1)N1CC2(CCN(C(=O)c3cnccn3)CC2)C1 3956131 XPBFERFLLSVMSI-UHFFFAOYSA-N 369.400 2.386 0 1 FEAF CCC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 27314538 WKIQYHWFDHCVGR-AAEUAGOBSA-N 363.389 2.038 0 1 FEAF CO/C(=C/C(=O)O)[C@H]1c2cc3cccc(O)c3c(O)c2C(=O)C[C@]1(C)O 219391638 OBCPKCVHPDMGIX-INDQBGCHSA-N 358.346 2.287 0 1 FEAF COc1cc(NC(=O)c2cncc(N3C[C@@H]4CNC[C@@H]4C3)c2)cc(OC)c1 73170086 XYRGDXZYWKJQRA-GASCZTMLSA-N 368.437 2.007 0 1 FEAF COc1cc(OC)c2c(c1)[C@@]13C[C@H]4[C@@H](COC1=N2)[C@H]1C[C@@H]3N4C/C1=C\CO 71295238 JHEWUOHZDCTKBI-QPUYBBDMSA-N 368.433 2.027 0 1 FEAF Cc1c(OC[C@@H]2CCCN(C)C2)ccc2c(N3CCNCC3)cc(=O)oc12 49942656 DHVKGIVQRQBELN-MRXNPFEDSA-N 371.481 2.232 0 1 FEAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 95894517 JXCIZYZKUTYCFB-QRVBRYPASA-N 371.481 2.470 0 1 FEAF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2 95794538 CDKVAMAYTYZORD-UYAOXDASSA-N 351.450 2.033 0 1 FEAF COc1cc2c(cc1O)[C@@H]1O[C@H](O)c3c(ccc4c3OCO4)[C@H]1N(C)CC2 257408247 DPRSKEMBOBQDJV-HBFSDRIKSA-N 371.389 2.421 0 1 FEAF endogenous,in-man COC(=O)c1cc2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2cc1OC 587250669 VYGYSAFTLPCITE-UHFFFAOYSA-N 355.350 2.229 0 1 FEAF CN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](CCO)C1 587580268 BQKWQOVKBJFVQS-HLLQZAQXSA-N 369.417 2.427 0 1 FEAF CC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2c(CO)n1)c1ccccn1 1772652740 NRTABQZQKVSDEY-SNVBAGLBSA-N 356.386 2.127 0 1 FEAF COc1cc([C@H]2C[C@H](O)C[C@@H]([C@@H](O)Cc3ccc(O)cc3)O2)ccc1O 14686755 UKFYIKOSRJMAAB-BOLBYERCSA-N 360.406 2.291 0 1 FEAF O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 1857628987 BXEPLPXHIZXQSO-OAHLLOKOSA-N 364.398 2.145 0 1 FEAF Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)o1 2720247 CCBUEZMNRVMVCC-LLVKDONJSA-N 364.427 2.051 0 1 FEAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCc1ccc(C(=O)O)cc1)C(=O)C2 3306038 UGCVKHLTCDLYDY-RDTXWAMCSA-N 365.451 2.200 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@H](NCc2cccc(F)c2)C[C@H]1O 2356288961 NHEHVGGNMCBRAG-VNTMZGSJSA-N 371.456 2.183 0 1 FEAF O=C(O)c1cn(C2CC2)c2nc(N3C[C@@H]4C[C@@H]3CS4)c(F)cc2c1=O 101796577 YPLSMQJIQQTDFZ-ZJUUUORDSA-N 361.398 2.263 0 1 FEAF Cc1ccc(-c2cc(CN(Cc3ccccc3)[C@@H](CO)C(N)=O)no2)cc1 29562953 LEJANUGTOPFRSY-IBGZPJMESA-N 365.433 2.498 0 1 FEAF Cc1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@H](C)C(=O)OC(C)(C)C)cc1 28526661 WBISOWJUAJRSMF-GFCCVEGCSA-N 372.425 2.430 0 1 FEAF CC[C@@H]1CN(C)[C@H]2C[C@@H]3[C@H](N[C@@H]4CCCC[C@@H]34)C(=O)C[C@H]1[C@@H]2C(=O)OC 2356608669 SJBJYGYLCQECRD-AWAUATEUSA-N 362.514 2.242 0 1 FEAF COC(=O)[C@@]12C[C@H]3CN(CCc4c1[nH]c1ccccc41)[C@H]2C[C@@H]3[C@@H](C)O 2356770373 MUQIJJGJDAUUMI-GOMOLPSUSA-N 354.450 2.226 0 1 FEAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1 61927197 SFXYTRJWOMZEML-SFHVURJKSA-N 354.397 2.278 0 3 FEAF O=C(O)c1ccc2c(c1)n(C[C@@H]1CCNC1)c(=O)n2Cc1ccc(F)cc1 65381821 XLQTYCWWGMTFKP-CQSZACIVSA-N 369.396 2.298 0 1 FEAF CCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)Nc1ccccc1 49051140 FSXWOMCAFZSBBJ-WBVHZDCISA-N 359.426 2.046 0 1 FEAF COc1ccc(C)cc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1 84654739 LUQXIYMXRZWQOJ-UHFFFAOYSA-N 351.384 2.230 0 1 FEAF COc1ccc(Cl)cc1N1CCN(CCNC(=O)c2ccco2)CC1 96900206 VZEQLDMPLFMQLU-UHFFFAOYSA-N 363.845 2.494 0 1 FEAF O=S(=O)(c1ccc(F)cn1)N1[C@H](CO)CC[C@@H]1c1ccc(F)cc1 653775559 VECAXDHGWXVUKH-LSDHHAIUSA-N 354.378 2.247 0 1 FEAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(Cl)ncnc3[nH]2)cc1 586927163 UWFWFXXZFVFNPA-UHFFFAOYSA-N 364.814 2.225 0 1 FEAF COc1cncc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586922690 RDFPOQSEJXDIKB-UHFFFAOYSA-N 357.435 2.472 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C[C@H](C)[C@H](C(=O)O)[C@@H](C(=O)O)C1)[C@@H](C2)C3=O 587450625 NSFFQQNAJWNMMU-KIZHICSGSA-N 360.362 2.013 0 1 FEAF COc1ccc(-c2nc3cnnc(O)c3[nH]2)c(I)c1 587180155 NURPPHRBSDNKCV-UHFFFAOYSA-N 368.134 2.339 0 1 FEAF NC(=O)c1cccc(C[C@H](N)c2nc3cncc(Br)c3[nH]2)c1 587260465 YOINTSFCDKRKGW-NSHDSACASA-N 360.215 2.062 0 1 FEAF CC[C@@]1(C(N)=O)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963197746 UDWNZYWJDYXNJC-ZWNOBZJWSA-N 350.724 2.048 0 1 FEAF O=C(O)[C@](F)(Cc1cnc2ccc(-c3ccccc3)cn12)P(=O)(O)O 1772615434 BOWSBERDLJZIEY-INIZCTEOSA-N 364.269 2.472 0 1 FEAF C[C@@]1(CO)CCc2c(C(=O)Nc3cnn(Cc4ccccc4)c3)n[nH]c2C1 169329945 SXIQTGHCRRJBCG-HXUWFJFHSA-N 365.437 2.394 0 1 FEAF O=C(NCc1cn(-c2ccc(F)cc2)nn1)C(=O)c1c[nH]c2ccccc12 1857589720 HZYBDYIAQDEGHU-UHFFFAOYSA-N 363.352 2.387 0 1 FEAF CC[C@@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@]1(C)CC[C@H](C(CO)CO)C1=CC[C@@]2(C)O 2356447328 OHNVMRBSEQNCQL-XZLNPMJXSA-N 352.515 2.498 0 1 FEAF O=C(O)Cc1ccc2c(c1)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 6093149 HOLKFWCVMQYHCW-OAHLLOKOSA-N 365.838 2.413 0 1 FEAF CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N[C@@H](C)Cc1ccco1 7006871 OBPNMNCNTOAUKD-JTQLQIEISA-N 354.428 2.311 0 3 FEAF O=C(c1ccncc1)N1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O 20907796 VMNULODKMXCFHF-UXHICEINSA-N 374.444 2.416 0 1 FEAF CC(=O)N1C=C([C@@H]2[C@H]3C[C@@H](CN4CC[C@H](O)C[C@@H]34)[C@@H]3CCCCN32)CCC1 2356544320 KXTMZZFZSKVPPU-KKFDQILXSA-N 373.541 2.211 0 1 FEAF CN1[C@H]2O[C@@H](c3cc4c(cc32)OCO4)[C@@H]2c3cc4c(cc3[C@@H](O)[C@@H]21)OCO4 2356689630 QVOJMJUPCVSMKD-UEDWAMCQSA-N 367.357 2.359 0 1 FEAF O=C(Nc1ccc(F)c(Cl)c1)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 61906559 BORVIGGVCMEKDG-YNEHKIRRSA-N 372.805 2.371 0 3 FEAF NC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82086033 KOBKCADOGSYQHO-CYBMUJFWSA-N 371.418 2.204 0 1 FEAF Cc1nccn1CCC(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 91663007 INMOCQKBCQJSAJ-UHFFFAOYSA-N 358.486 2.223 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)NC(C)C)[C@H]2CN(C)C(C)=O)cc1 95895150 FEKQHXBHQYVHEN-RGOVZJGCSA-N 373.497 2.445 0 1 FEAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 586949948 IRZXOAFALDTLLA-UHFFFAOYSA-N 363.370 2.363 0 1 FEAF CCOC(=O)C[C@@]1(c2cnccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436929 VLJYKAZYHQKDKJ-BFUOFWGJSA-N 354.362 2.081 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCC(N)=O)c1)[C@@H](C2)C3=O 587427637 FBGYLEUMMYTKKH-RNODOKPDSA-N 369.373 2.057 0 1 FEAF CC1(C)O[C@H]2[C@@H](O1)[C@@H](COC(=O)c1ccccc1)O[C@@H]1OC(C)(C)O[C@@H]21 11847473 PVMUOTUDLIZEAN-JLHDYFKBSA-N 364.394 2.240 0 1 FEAF CNC(=O)C[C@@H](CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1 13776614 HJNUQOATQYFGFP-MRXNPFEDSA-N 351.454 2.107 0 1 FEAF CCCCN1CCc2nc(N3CCN(c4ccccn4)CC3)ncc2C1 15779647 KKZHFOCTJXTJRU-UHFFFAOYSA-N 352.486 2.356 0 1 FEAF CCN(CCCN1C=CN(C)C1=CN=O)S(=O)(=O)c1ccccc1 1857535576 OPQOBMLSKYAIJZ-UHFFFAOYSA-N 350.444 2.371 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H]2OC(=CCCCC(=O)O)C[C@@H]21 2356340452 PGRXDTJFXIPRSO-LYBROENRSA-N 368.470 2.379 0 1 FEAF CCOc1ccc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc1 3896584 RISZCDXXXKDTNA-UHFFFAOYSA-N 359.407 2.179 0 3 FEAF CC(C)CN1C(=S)N(CC2CCCCC2)[C@@H]2[C@H]3OC(=O)[C@@H](C[C@@H]3O)[C@H]21 2356856730 SDBXXEXESKKOIF-KSWRQPAISA-N 366.527 2.169 0 1 FEAF COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(O)c(OC)c2O)ccc1O 14646650 FAGBSURUGYTNKL-KGLIPLIRSA-N 374.389 2.395 0 1 FEAF biogenic CCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1 224806571 PUHXVHVCGWZISP-UHFFFAOYSA-N 355.423 2.086 0 1 FEAF c1ccc(-c2nnc(-c3ccccn3)nc2NCCN2CCOCC2)cc1 95570068 KUFATNKOFFORNR-UHFFFAOYSA-N 362.437 2.345 0 1 FEAF CN1C(=O)N(c2cccnc2)C[C@H]1C(=O)NCc1ccc(F)cc1Cl 95565695 RXTKZZNWTKXTFN-HNNXBMFYSA-N 362.792 2.431 0 1 FEAF Cc1ccccc1C(=O)Nc1cccn2c(=O)cc(N3CCOCC3)nc12 473130851 LXOSWIBILOAULT-UHFFFAOYSA-N 364.405 2.092 0 1 FEAF O=S1(=O)N[C@]2(CCCN(CCc3ccccc3)C2)COc2ccccc21 299852403 RHFREDHHQJRALE-FQEVSTJZSA-N 372.490 2.435 0 1 FEAF O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21 299807045 NLRDWJJCYOHFLS-GCQCLRAASA-N 361.401 2.120 0 1 FEAF Nc1nc(C(=O)NCc2cccc3c2OCCO3)c2cccc(F)c2n1 653793818 CHARXOGFUOHHIQ-UHFFFAOYSA-N 354.341 2.052 0 1 FEAF CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2CC[C@](C)(O)C2)n1 653679375 LXHIXLMMWQDNTH-KRWDZBQOSA-N 365.384 2.246 0 1 FEAF CCOc1ccccc1[C@H]1CC(=O)Cc2nc3nc(O)nc(O)c3cc21 587559095 FJFIFJXYUOJLMI-GFCCVEGCSA-N 351.362 2.482 0 1 FEAF COc1cc2c3c(c1)O[C@@]1([C@H]4[C@H]5C[C@@H]6[C@H]4[C@@]4(C(=O)O)[C@@H]1[C@H]5[C@@H]64)[C@@H](C2)C3=O 587453566 ZHIFXMPYRVYFLO-YPTUNYMCSA-N 350.370 2.024 0 1 FEAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cnc3n2CCC3)N1 962968702 DIOYRSZERFQJMF-ZUZCIYMTSA-N 353.756 2.449 0 1 FEAF O=C(Cc1ccc(Cl)cc1)NCCNC[C@H](O)COc1ccccc1 28756237 SPAMTDUYCILZHK-KRWDZBQOSA-N 362.857 2.028 0 1 FEAF CNc1nc2ccn(C)c(=O)c([C@@H](O)c3cc(C)c(OC)c(C)c3)c-2n1 64447769 LZOYXAXLODWQSL-INIZCTEOSA-N 354.410 2.029 0 1 FEAF C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@]12C[C@]1(COC(=O)C1)CO2 2356317419 QHYFPLAXWXWDJP-KGENQRSRSA-N 352.471 2.285 0 1 FEAF Cc1cc2c(s1)S(=O)(=O)N(C)C(C(=O)Nc1nccs1)=C2O 28103991 ZXDGGVXGCFWHGQ-UHFFFAOYSA-N 357.438 2.012 0 1 FEAF CCC(=O)OC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC)C(C)C 2356326742 YYPQWZQXPTVJCT-HNAYVOBHSA-N 359.470 2.392 0 1 FEAF Cn1c(N2CCC(O)(c3ccccc3)CC2)cc(-c2ccncn2)cc1=O 66066669 QSFDPDHOXHFOJS-UHFFFAOYSA-N 362.433 2.330 0 1 FEAF in-vivo C[C@H]1C[C@H](C)N(C[C@@H](O)CNS(=O)(=O)c2ccc3ccccc3c2)C1 28892131 XTEIDNBHYNANFK-MPGHIAIKSA-N 362.495 2.209 0 1 FEAF CC=C1CN2[C@H]3C[C@]45c6cc(OC)ccc6N[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)OC 2356511455 IRMHHGGGRPOHRY-RTJWASAASA-N 368.433 2.254 0 1 FEAF O=C1CO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2N1c1ccccc1 2356614033 FISYLUPKCMKBIE-QFBILLFUSA-N 352.390 2.032 0 1 FEAF O=C(NC[C@@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1)c1cnccn1 2356729234 OQNJJJPPIDQXLD-CQSZACIVSA-N 369.812 2.322 0 1 FEAF CSc1ncn(C)c1C[C@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccc(O)cc21 2356787717 BPUUFIFWXQFNLA-ZIAGYGMSSA-N 372.450 2.212 0 1 FEAF CO[C@@H]1OC[C@]2(CCC(=CCO)CO)[C@@H]3CCC=C(C)[C@@]31[C@H](O)C[C@H]2C 2356847651 OYOCQFXSNOJORV-ODCIWYIGSA-N 366.498 2.410 0 1 FEAF COc1ccc(Nc2nc(N)n(-c3ccc(C(=O)O)cc3)n2)cc1OC 38793550 NJMXOPVRBDBOBD-UHFFFAOYSA-N 355.354 2.309 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1CCC2=C[C@@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C 38494967 YGLWOPSYLJYZQF-LSNGLYKXSA-N 362.422 2.163 0 1 FEAF CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN(C)C 82082641 HGUPFJOYSGJNQP-CQSZACIVSA-N 365.455 2.262 0 1 FEAF O=C(c1ccc(F)cc1)N1CCN2C[C@H](OCc3ccccn3)C[C@@H]2C1 299843416 RHNSYIHOQKDPKN-RTBURBONSA-N 355.413 2.336 0 1 FEAF COc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CC(C)C 473124168 WLRCFJPLUWMENY-UHFFFAOYSA-N 352.435 2.094 0 1 FEAF Cc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Cl 586939427 ONTFRXWJEMXLNZ-VIFPVBQESA-N 353.835 2.298 0 1 FEAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ncc[nH]c-2n1 586984113 HWCBWDTUHDKGEK-LBPRGKRZSA-N 360.215 2.487 0 1 FEAF C[C@@H](O)[C@@H](CO)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F 204409506 JGHJKLPPLPRETF-YMTOWFKASA-N 359.323 2.133 0 1 FEAF COc1cccc(CCN2C=N[C@@H]3C(=O)NC(Cc4ccccc4)=N[C@H]32)c1 1857548081 VDGBXWCKYAESKO-PMACEKPBSA-N 362.433 2.047 0 1 FEAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc2[nH]ccc2c1 1857574418 GPBGZOXKIPYWIP-UHFFFAOYSA-N 361.401 2.335 0 1 FEAF CS(=O)(=O)NCc1nnc(SCc2c(F)cccc2Cl)o1 1337640 CWMHYASFNSBFOP-UHFFFAOYSA-N 351.812 2.204 0 3 FEAF COCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1OC 2904187 GPJLDUGMSIJNTA-ZWKOTPCHSA-N 367.401 2.293 0 1 FEAF O=C1NC(=Cc2c[nH]c3cc(Br)ccc23)C(=O)N2CCC[C@H]12 2356770575 BXFWRBXQKKIJQG-CQSZACIVSA-N 360.211 2.392 0 1 FEAF COc1cc(Cc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1OC 45228526 RVMHUSBKPNGDMM-UHFFFAOYSA-N 355.398 2.114 0 1 FEAF CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1C[C@@H]2CC[C@H]1C2 95561885 IQHKHGHDPGFXAV-SUNKGSAMSA-N 359.455 2.323 0 1 FEAF CC[C@@H]1CN(C(=O)NC(C)C)CC[C@@H]1CC(=O)NCCN1CCCCC1 25434064 QRRRQTWIRUNTLI-QZTJIDSGSA-N 366.550 2.445 0 1 FEAF biogenic CCCC(=O)N1CC2(CN(C)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO 95794105 AASRGZTYCIWKDB-QGZVFWFLSA-N 371.481 2.046 0 1 FEAF CCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)NC1CCCC1 95895903 HWKRYOWXXXZXJP-ZCNNSNEGSA-N 373.497 2.336 0 1 FEAF Cn1nccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1 96175529 MLICALZTYOMBSK-UHFFFAOYSA-N 374.408 2.374 0 1 FEAF COc1ccc(NCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1 473132434 SHXQZDNABNYGBX-UHFFFAOYSA-N 366.421 2.152 0 1 FEAF C[C@H]1CC[C@H](Oc2nc(N)c3c(=O)ccn([C@H]4CCC[C@@H]4O)c3n2)CC1 299814831 MHTYRJRAANRRFD-XUXIUFHCSA-N 358.442 2.417 0 1 FEAF COc1cc(C(=O)OCCn2nc3ccccc3n2)cc(OC)c1OC 653751539 LLIMBNPJZTWORT-UHFFFAOYSA-N 357.366 2.314 0 1 FEAF Cc1ccc2c(ccc3nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c32)n1 587202035 ATGIAJBRKKHSDX-HNNXBMFYSA-N 353.426 2.498 0 1 FEAF C[C@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)NCCc2ccc(O)cc21 963342640 QVVVJLRXZJEKOE-QUCCMNQESA-N 351.406 2.115 0 1 FEAF COc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)c1 205229263 BXGNOESFTZCTTN-QZTJIDSGSA-N 372.446 2.427 0 3 FEAF CC(C)C[C@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(=O)N(C)C 207358037 DZRUYZCURLYRHS-HNNXBMFYSA-N 374.485 2.376 0 1 FEAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCCOCCO)cc1 2480988 JKYBKEOLADDATD-UHFFFAOYSA-N 372.377 2.349 0 1 FEAF Cc1nnc(NC(=O)C2=CC3=N[C@@H](C4CC4)C[C@@H](C(F)(F)F)N3N2)s1 104008468 MOMSHHWGVGVDQX-SCZZXKLOSA-N 372.376 2.001 0 3 FEAF C#Cc1cccc(Nc2ncnc3cc(OC)c(OCC(=O)NO)cc23)c1 59132426 FSGLBWZMGIOKQS-UHFFFAOYSA-N 364.361 2.248 0 1 FEAF COc1ncc(Nc2ncc([C@@H](C)N)cc2-c2nc(C)nc(N)n2)cc1F 113149890 SBDFHGXZBYSPBN-MRVPVSSYSA-N 370.392 2.130 0 1 FEAF O=C(O)[C@@H](Cc1ccc2c(c1)OCO2)[C@H](CO)Cc1ccc2c(c1)OCO2 2356677085 GQXLKZICLHKEQT-GJZGRUSLSA-N 372.373 2.239 0 1 FEAF C[C@H](O)CCC[C@H](O)CC[C@H]1[C@H](CC=CCCCC(=O)O)C(=O)C[C@H]1O 2356765939 ZMWWFDMBQLWCBL-BRFLTPSNSA-N 370.486 2.446 0 1 FEAF CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1coc2ccc(C)cc2c1=O 71340755 KTBMEJTXXYEKJJ-HNNXBMFYSA-N 358.419 2.457 0 1 FEAF CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@@](CCO)(CC[C@@H]12)[C@H]43 238741761 GUUBDRGMQKDEAV-BVOGOJNSSA-N 356.466 2.396 0 1 FEAF C[C@@H]1N=CC([C@H]2C[C@@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)=N1 261167810 SGHCLOBTFNZTBO-RJACDDKMSA-N 364.421 2.498 0 1 FEAF CN1CCN(c2ccc3nc(-c4ccc(CC(=O)O)c(N)c4)[nH]c3c2)CC1 587250660 VRMGIDMZTFUOSU-UHFFFAOYSA-N 365.437 2.191 0 1 FEAF COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587439111 TXJIMVLJLHXQEE-BTYIYWSLSA-N 363.369 2.498 0 1 FEAF Cc1c(Cl)ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 586938411 JLISAWSBWIDZMK-SECBINFHSA-N 353.835 2.298 0 1 FEAF CC[C@@]1(C)C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 586892160 URDUCCKZNVMTEY-YWZLYKJASA-N 356.470 2.217 0 1 FEAF COC(=O)[C@@H]1COC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587833986 JLNVWFZUWQQCOP-KPWYMIHSSA-N 358.207 2.137 0 1 FEAF COc1cccc(OCc2cc(C(=O)N(C)Cc3nonc3C)no2)c1 12091086 UHIUMRJNOJNQFG-UHFFFAOYSA-N 358.354 2.226 0 1 FEAF CC(=O)OCC1=CC[C@H]([C@@](C)(O)C/C=C/[C@@](C)(O)COC(C)=O)CC1 14859854 PWPSQCADOUKLOZ-VRJNFQLHSA-N 354.443 2.287 0 1 FEAF Cc1cc(O)nc(-n2cc(C(=O)N3CCC(C(F)(F)F)CC3)c(C)n2)n1 1857592402 CHEJMOJRCXKTCT-UHFFFAOYSA-N 369.347 2.399 0 1 FEAF CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1scnc1C 1857759534 ZAUHGIZMXQSHFD-HVHJFMEUSA-N 360.435 2.461 0 1 FEAF CC(C)(CNC(=O)Cc1ccccc1)NC[C@H](O)COc1ccccc1 28756235 JILSHXRWMRYLNT-SFHVURJKSA-N 356.466 2.153 0 1 FEAF Cc1ccc(N2CCc3ncnc(N[C@H](CO)c4cccnc4)c3C2)nc1 114994851 DTQUOODAYMQTHN-GOSISDBHSA-N 362.437 2.283 0 1 FEAF CCOC(=O)[C@H]1C[C@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3C)CC1=O 28111490 WUGZFHIGKDHJFG-DZKDUJFISA-N 357.450 2.352 0 1 FEAF COc1ccc(CCNC[C@H](O)COC(=O)c2ccccc2)cc1OC 25973637 JYWMIIDZRHBROA-KRWDZBQOSA-N 359.422 2.054 0 1 FEAF C[C@]12CC[C@@H]3[C@]45CC[C@H](O)C[C@]4(O)CC[C@@]3(OC5)[C@H]1CC[C@H]2C(=O)O 2356655826 MAUIYISYPHUCFP-IJJQEXHRSA-N 350.455 2.339 0 1 FEAF Cc1ccc(CCCNC[C@@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 1911576747 ICSNWNWTBVQNTP-GOSISDBHSA-N 356.422 2.287 0 1 FEAF Cc1[nH]nc2nc(O)cc([C@H]3CC[C@H](NS(=O)(=O)C4CC4)CC3)c12 1911577079 SBIOTIMRJUYQBT-XYPYZODXSA-N 350.444 2.080 0 1 FEAF COc1ccc(C[C@@H]2CCc3cnnn3COC[C@H](C(C)C)NC2=O)cc1 95898357 GXBDVNURWIBSDR-QFBILLFUSA-N 372.469 2.207 0 1 FEAF Cc1c(Br)cnc2[nH]c(CNC(=O)c3cscn3)nc12 587027856 IGGACIOEYXAILR-UHFFFAOYSA-N 352.217 2.415 0 1 FEAF COc1ccc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)cc1F 587368460 QENJYENYZZTMBB-UHFFFAOYSA-N 359.313 2.268 0 1 FEAF Cn1nc(C(=O)O)c(I)c1-c1nc2ccccc2[nH]1 587180642 IXVWRBHGUZUSKG-UHFFFAOYSA-N 368.134 2.266 0 1 FEAF Nc1ncnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc12 587144057 HUCLKPNNIJGHNL-SECBINFHSA-N 351.183 2.079 0 1 FEAF COC(=O)[C@](C)(O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587809071 QDXNUSIYKJDWCU-BKQRNIBNSA-N 360.223 2.262 0 1 FEAF CN1CCN(c2ccc(-n3c(O)ccc3O)cc2Br)CC1 587935934 HMHMVZDZLUDVRV-UHFFFAOYSA-N 352.232 2.403 0 1 FEAF C[C@]1(CC(=O)NC2CC2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962639318 UPHMYSBSQIHWJS-BDJLRTHQSA-N 372.343 2.068 0 1 FEAF COC(=O)[C@H](C)[C@]1(c2cnccn2)NCCc2c(OC)ccc(Cl)c21 963269912 MNKDRQYSNQJZJF-BBATYDOGSA-N 361.829 2.337 0 1 FEAF O=C(c1ccccc1)N1CCN(c2nn3cnnc3c3ccccc23)CC1 5772718 RPXRRGNOFZDESO-UHFFFAOYSA-N 358.405 2.240 0 1 FEAF COc1cc(O)c2c(c1)/C=C\C[C@H](O)[C@H](O)/C=C(/F)[C@@H](C)[C@H](C)NC2=O 169335680 JRHABWKYLHCXIO-CNGGTFGQSA-N 365.401 2.147 0 1 FEAF CCN(CCNC(=O)C[C@@H]1Oc2ccccc2NC1=O)c1ccccc1 4911291 LEHHILLDEUSEJA-SFHVURJKSA-N 353.422 2.419 0 3 FEAF aggregator Cc1ccsc1S(=O)(=O)N1CCC[C@@H](N(C)CCCN(C)C)C1 20540412 UHNHYEYFZCQRJH-OAHLLOKOSA-N 359.561 2.093 0 1 FEAF CCCN(CCC)CC(=O)Nn1c(S)nnc1-c1ccc(OC)cc1 103210529 HRYKEBWJXOFXGQ-UHFFFAOYSA-N 363.487 2.435 0 1 FEAF CC(C)C[C@H]1CNC(=O)C(=O)N1CC1CCN(CCc2ccccc2)CC1 199369645 LSHOZVMPRICKCA-FQEVSTJZSA-N 371.525 2.314 0 3 FEAF Cc1ccc(-c2ccc(CCC(=O)N[C@@H](CCC(=O)O)C(N)=O)cc2)s1 87613123 XNDAUZRSIAEAAR-HNNXBMFYSA-N 374.462 2.491 0 1 FEAF in-vitro c1ccc(CO[C@@H]2CO[C@H]3[C@@H](n4nnnc4-c4ccccc4)CO[C@H]32)cc1 25230105 URPGGVLAPQCCPM-RDGPPVDQSA-N 364.405 2.264 0 1 FEAF biogenic O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(CO)cc1 95580424 ZQKHERNWUMQFTD-VQTJNVASSA-N 351.450 2.009 0 1 FEAF COC(=O)[C@@H]1[C@H]2CC(=O)c3[nH]c4ccccc4c3C[C@H]1N(C)C=C2C=O 86002245 YQIXIDJOTMBOLU-FDQGKXFDSA-N 352.390 2.099 0 1 FEAF biogenic NC[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337981 QDHWAPFPULCRSN-PKOBYXMFSA-N 359.353 2.453 0 1 FEAF COC(=O)[C@@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587809149 QXBQCAWRTWQJNA-GLEZIHRCSA-N 358.207 2.470 0 1 FEAF C[C@@]1(c2ncc(F)cn2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962640204 ODQCZJTWZIKGBL-IUODEOHRSA-N 371.290 2.377 0 1 FEAF COc1cc2c(cc1O)CC[C@]21N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963511839 VFVKNQBMOYRCFP-XOBRGWDASA-N 355.390 2.204 0 1 FEAF Cc1c(O)ccc2c1[C@](CO)(c1ccc3[nH]ccc3c1)N[C@H](C(=O)O)C2 963525484 MXMITDXWRYEZQS-JXFKEZNVSA-N 352.390 2.017 0 1 FEAF COC(=O)c1occc1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228958 PENHFCZTTUOSRT-HZPDHXFCSA-N 352.346 2.303 0 1 FEAF Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2C[C@H]1CCNC(=O)C1 1772581945 FQZWNMKPWCGUSW-JTQLQIEISA-N 372.816 2.380 0 1 FEAF Cc1c(N2CCSCC2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 150561838 ZEYLGJDBRLOIDR-UHFFFAOYSA-N 359.451 2.478 0 1 FEAF Cc1ncnc2c1c1cc(Cl)ccc1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F 1857649060 TZPIXIVWJUTBOK-UZMCECQYSA-N 351.765 2.135 0 1 FEAF CCCC[C@]1(CO)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)[C@@H]1O 58482399 BYBAPAFOQSJYFM-QJEIGEPZSA-N 373.493 2.201 0 1 FEAF CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CNCC3 68153169 MDPGGILFXPMEDT-UHFFFAOYSA-N 374.491 2.238 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C=C3OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 2356627988 CWQFFFQIMPZPEO-QULKIPASSA-N 362.422 2.163 0 1 FEAF CCOc1cc(CNC(=O)CC)ccc1OC[C@H](O)[C@@H](C)NC(C)C 28767939 LTGTZHSCRXGWKD-ZBFHGGJFSA-N 352.475 2.238 0 1 FEAF COc1ccc(CC2=C([C@H](O)c3ccc4c(c3)OCO4)COC2=O)cc1O 13385484 FTIOESRDDTYYEC-LJQANCHMSA-N 370.357 2.259 0 1 FEAF biogenic C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCC(C)(C)N(C)C 82083904 RNIPZWKPRUGDIU-LLVKDONJSA-N 365.455 2.405 0 1 FEAF CC(C)(C)OC(=O)N1CCCC[C@H]1Cn1nnc2c(N)nc(C3CC3)nc21 84712125 RQMGFEWTJZBMHA-LBPRGKRZSA-N 373.461 2.471 0 1 FEAF Cc1ccc(Cn2cc(CSC(=S)N3CCN(C)CC3)nn2)cc1 96285694 BFVQYKHAKYQTFZ-UHFFFAOYSA-N 361.540 2.400 0 1 FEAF C/C=C1/CN[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 263639144 ZORKKCARNQAZRJ-MDYZMJSWSA-N 370.449 2.184 0 1 FEAF C[C@@]12Nc3cc(O)ccc3[C@]1(O)CCN2Cc1ccc(/C=C\C(N)=O)cc1 377853491 WCANESPIOIPEPJ-FGKJDPMHSA-N 365.433 2.126 0 1 FEAF CC(=O)C(=O)N(c1ccccc1/C=C\C(N)=O)c1ccccc1C(=O)O 377848450 FUENBKOULKYZGM-KHPPLWFESA-N 352.346 2.137 0 1 FEAF CCOc1n[nH]c(-c2nc3cccc(C(N)=O)c3[nH]2)c1Br 586979966 LJKKEDCMVPIYML-UHFFFAOYSA-N 350.176 2.213 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OC(=O)C2)N1 587829267 BORXQOMJQSJNKQ-ZIDLFYJRSA-N 370.174 2.233 0 1 FEAF COc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)n1 587742521 AJECNKOJFPMQGK-UHLUBPPHSA-N 367.222 2.593 0 1 FEAF CN1C(=O)C[C@H]2CN[C@@H](CN3C(=O)COc4ccccc43)c3cccc1c32 963018986 DEGYCBVRFOWBHH-ZFWWWQNUSA-N 363.417 2.207 0 1 FEAF C/C=C\c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1O 15219856 GZMDTMLCGYJSFR-WAYWQWQTSA-N 374.345 2.413 0 1 FEAF O=c1n(CCCCNC[C@H]2CCc3ccccc3O2)c(O)c2n1CCC2 169725351 UAMOZWUMVFJFDW-MRXNPFEDSA-N 357.454 2.065 0 1 FEAF CCN(CC)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O 201442029 JUZDSGQJGSJOIP-UHFFFAOYSA-N 350.422 2.251 0 3 FEAF COc1ccc(CN2C(=O)CO[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 2356286330 KAHTWLLHEPWUDE-VQTJNVASSA-N 352.434 2.307 0 1 FEAF O=c1cc(-c2ccc(N3CCOCC3)cc2)sc(N2CCOCC2)c1 101075695 XCUZXPQUYMLRJD-UHFFFAOYSA-N 358.463 2.449 0 1 FEAF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@]4(CO)C(=O)OC 2356500516 XLHUHYFKFFGUFE-XCBAANBCSA-N 352.434 2.216 0 1 FEAF CC[C@@H]1C[C@]2(CC)O[C@]3(CC(=O)OC)O[C@@]4([C@H](C)O)O[C@@]3(CC)[C@H]2[C@H]14 2356802716 SPOLFFFSFXRMEK-QMSANFQTSA-N 354.443 2.373 0 1 FEAF NS(=O)(=O)c1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1 96917022 LHBNHOJSKBVYIJ-HNNXBMFYSA-N 352.412 2.252 0 1 FEAF CCOc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12 149215346 LBEFIEHEJIVHBB-UHFFFAOYSA-N 353.361 2.277 0 1 FEAF CC(C)CN1[C@H](C(=O)NCc2ccc(F)cc2Cl)CCS1(=O)=O 95566117 HVLGQIZDHDRVCN-AWEZNQCLSA-N 362.854 2.155 0 1 FEAF CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)NC(N)=S)cc1 95552211 QNOUVBQVUJHASU-AWEZNQCLSA-N 354.497 2.114 0 1 FEAF C/C=C1/CN2CC[C@]34c5ccccc5N5C(=O)[C@@H](OC)OC[C@@H]([C@H]53)[C@H]1C[C@H]24 238757141 IMOHOYNAXXYHHX-QLBKFUMISA-N 366.461 2.313 0 1 FEAF O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21)[C@@H]1C[C@@H]31 299807046 NLRDWJJCYOHFLS-VYVINXJXSA-N 361.401 2.120 0 1 FEAF CCCc1nc(-c2nc3c(O)nc(O)nc3[nH]2)nn1-c1ccccc1F 587156243 RFMPKOHCVJUPGC-UHFFFAOYSA-N 355.333 2.103 0 1 FEAF CCOC(=O)CCOCCCOCCc1nc2cc3c(cc2[nH]1)OCO3 587570363 WJLKKBCFOMXDRY-UHFFFAOYSA-N 364.398 2.211 0 1 FEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CN=CNc1[nH]cnc12 587590720 TYMTULSAOYWOMM-IFXJQAMLSA-N 362.345 2.426 0 1 FEAF CNC(=O)[C@@H]1C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 587235318 NNHIWOUMAWSTIQ-RFZPGFLSSA-N 374.036 2.332 0 1 FEAF C[C@H](Oc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1)C(=O)O 962903145 SZFFESZHHRZAKG-QXKQMHMISA-N 359.353 2.366 0 1 FEAF CCCC(=O)NCc1ccc(OC[C@H](O)CNC(C)(C)C)c(OC)c1 169335450 XCHQZSUHMMTAIY-OAHLLOKOSA-N 352.475 2.239 0 1 FEAF O=C1C=CC[C@H](C=CC[C@@H]2C[C@H](O)[C@@H](O)[C@H](C=Cc3ccccc3)O2)O1 2356389134 ITOWMYXEGADZIR-FIRLOTFOSA-N 356.418 2.397 0 1 FEAF CNC[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)C1 103282387 DZBWAQRFBKKIDF-CYBMUJFWSA-N 355.438 2.470 0 1 FEAF O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CSC[C@H]1c1cn[nH]c1C2 101868790 QIYVMKNRWFYKPJ-YGRLFVJLSA-N 355.872 2.467 0 1 FEAF COC(=O)[C@]1(c2ccccc2)C[C@H]1CN1CCN(c2ccccn2)CC1 28635527 JGRTUMOIEPJXEV-RXVVDRJESA-N 351.450 2.335 0 1 FEAF CCOc1cccc(-c2nc(N)[nH]c(=O)c2I)c1 29544363 JDPGYTWVLPGNFE-UHFFFAOYSA-N 357.151 2.022 0 1 FEAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)C[C@@H]2O[C@@H]21 26404533 HWZODOOORTWWEA-QRQYHESCSA-N 365.451 2.322 0 1 FEAF CC(=O)N1C=C([C@@H]2[C@H]3C[C@@H](CN4CC[C@H](O)C[C@H]34)[C@@H]3CCCCN32)CCC1 2356544322 KXTMZZFZSKVPPU-PCPGVINSSA-N 373.541 2.211 0 1 FEAF O=C1CC[C@@]23Oc4ccc(O)c5c4[C@@](Oc4cccc1c42)(O3)[C@@H]1O[C@@H]1C5=O 14679392 GAOSSIYAGPZGKQ-YSTOQKLRSA-N 364.309 2.140 0 1 FEAF biogenic CN1CCCC[C@]1(C)c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1 43010120 DWCBYHSUKCYVPJ-LJQANCHMSA-N 374.416 2.288 0 1 FEAF COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)c(O)cc1O 238765257 MYARNAABAMCQAS-UHFFFAOYSA-N 362.290 2.005 0 1 FEAF COC(=O)[C@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809150 QXBQCAWRTWQJNA-VXJOIVPMSA-N 358.207 2.470 0 1 FEAF CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587514344 WPWLXKALDLSRNN-AZUAARDMSA-N 359.422 2.357 0 1 FEAF CCOC(=O)[C@H]1CN(CC)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517282 KJCHLQUWFNVVLI-IIBYNOLFSA-N 371.433 2.311 0 1 FEAF C[C@@]1(c2ccc(C(F)(F)C(=O)O)[nH]2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962924586 UCJGONGGTZQSPI-MEDUHNTESA-N 368.311 2.193 0 1 FEAF CNc1n[nH]c2c1CCCc1cc(N3C[C@H](CNC(C)=O)OC3=O)ccc1-2 11524614 FVAVUVZQUCNOOW-AWEZNQCLSA-N 369.425 2.068 0 1 FEAF Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2[C@@H](O)[C@@]3(C)CC[C@@H]2C3(C)C)cc1 11616782 RMTYNAPTNBJHQI-OIPACUDHSA-N 366.483 2.169 0 1 FEAF in-man CCCCOc1nc(N)c2nc(O)n(Cc3ccc(C(=O)O)cc3)c2n1 1857563620 JVVCWMDULJCEGQ-UHFFFAOYSA-N 357.370 2.040 0 1 FEAF C=CC(=O)N(CC(=O)N1CCOCC1)c1nc(-c2ccccc2)cs1 1857611963 KULFNYNZXKBPJY-UHFFFAOYSA-N 357.435 2.188 0 1 FEAF CCn1ncc2c1CC[C@H](N=c1nc3c(-c4cccnc4)cccn3[nH]1)C2 1857638470 KFAKCWGZLLMXEM-INIZCTEOSA-N 359.437 2.399 0 1 FEAF CCCN(CC1CC1)c1ccc2[nH]c(=O)c(CCC(=O)OCC)nc2n1 2500169 BICLMGRKRRHXAZ-UHFFFAOYSA-N 358.442 2.440 0 1 FEAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCC[C@H]1C(N)=O 2356303011 JONKFVJKJNMMEM-SKDRFNHKSA-N 363.801 2.138 0 1 FEAF c1cc(-c2c[nH]nc2C2CC2)nc(Nc2ccc(N3CCNCC3)cn2)n1 64539085 VYJAEGLVFKBLFQ-UHFFFAOYSA-N 362.441 2.292 0 1 FEAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCN)C2)co1 82069486 IYYXLCAWNRZKHW-AWEZNQCLSA-N 357.410 2.004 0 1 FEAF CN1C(=O)N(c2ccccn2)C[C@H]1C(=O)NCc1ccc(F)cc1Cl 95565724 CJQGHHKKABDBNK-AWEZNQCLSA-N 362.792 2.431 0 1 FEAF COC(=O)c1ccc2nc(CCNC(=O)Cc3ccccc3)[nH]c2c1OC 587228532 NOOPZBWAVJCHCA-UHFFFAOYSA-N 367.405 2.260 0 1 FEAF CC(C)Cn1[nH]c(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1=O 587654633 MJOHQRLOJJKOFV-UHFFFAOYSA-N 360.801 2.079 0 1 FEAF N=c1[nH]cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc-2[nH]1 587002478 GQKIGIRXAARKSW-SSDOTTSWSA-N 374.198 2.115 0 1 FEAF CC(C)c1nn(C)c2c1[C@]1(NCC2)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@H]2[C@H]4[C@@H]3[C@H]21 962915035 SYYSULQZQFEGQS-VSZMRLNKSA-N 367.493 2.015 0 1 FEAF Cc1c(O)ccc2c1[C@H](c1c3cccc(C=O)c3nn1C)N[C@H](C(=O)O)C2 963529922 ZULYVKSCLRKTLO-KBXCAEBGSA-N 365.389 2.088 0 1 FEAF Cc1cc(C/N=C(\O)c2nc3n(c(=O)c2O)CCOC3(C)C)ccc1F 35012407 BLAAHOHPTRRHEE-UHFFFAOYSA-N 361.373 2.167 0 1 FEAF CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491918 SNYLIMBYESDBIA-AWEZNQCLSA-N 365.499 2.231 0 1 FEAF O=C(NC[C@H]1CN(c2ccccc2)CCN1)c1ccc(-n2ccnc2)cc1 3796630 LRNFWXDBPHKDSW-SFHVURJKSA-N 361.449 2.081 0 1 FEAF O=c1c(Cn2nnn(-c3ccc(Cl)cc3)c2=O)coc2ccccc12 28647611 JJKRITVDXJHRHI-UHFFFAOYSA-N 354.753 2.237 0 1 FEAF COc1ccc(CNC[C@@H](O)COc2ccc3[nH]c(=O)ccc3c2)cc1 27184078 KGLNPAMIJZWUKF-MRXNPFEDSA-N 354.406 2.066 0 1 FEAF Cc1cc(Cl)ccc1N1C(=O)C(SCCO)=C(SCCO)C1=O 35826022 JHTUAJZLOHRULP-UHFFFAOYSA-N 373.883 2.184 0 1 FEAF OCC1CCN(c2nccnc2C2CN(c3nc4ccccc4o3)C2)CC1 146612041 BBTHIPNGTDGZTM-UHFFFAOYSA-N 365.437 2.430 0 1 FEAF COc1ccc2c(c1)CN1CN(CCc3ccccc3)S(=O)(=O)C[C@H]21 96020152 JGECGDFCWGQSLC-LJQANCHMSA-N 358.463 2.398 0 3 FEAF COc1ccccc1O[C@@H]1CC[C@H](NC[C@@H]2COc3ccccc3O2)[C@H]1O 95607486 VEWHQFCTRYPEDT-IALDWUNLSA-N 371.433 2.396 0 1 FEAF C=CS(=O)(=O)N1CCN(C(=O)c2cc(C3CCCCC3)no2)[C@@H](C)C1 618017549 PCTURCZRVXSDBB-ZDUSSCGKSA-N 367.471 2.342 0 1 FEAF COC1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)C1 653769216 GOJRJMPDQDDFTC-UHFFFAOYSA-N 363.368 2.435 0 1 FEAF NCCOCCOCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587246217 MIQJIEBFSDIMBF-UHFFFAOYSA-N 368.306 2.146 0 1 FEAF COc1ccc(C=O)cc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587787230 SEZCUUAJKWHJCN-UHFFFAOYSA-N 359.407 2.301 0 1 FEAF CCCCNC(=O)NCCc1ccc(OC[C@H](O)CNC(C)C)cc1 169335383 BOWLSMDAWAYQOY-QGZVFWFLSA-N 351.491 2.066 0 1 FEAF O=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccncc2)CC1 205943225 NBXGUYASUMJQNP-UHFFFAOYSA-N 350.422 2.400 0 1 FEAF O=C1C[C@H](SCc2ccccn2)N1C(=O)N[C@H](CO)c1ccccc1 5939174 IRZVPGLYRJGEBO-WBVHZDCISA-N 357.435 2.316 0 1 FEAF COc1ccc(/C=C(/C(N)=O)c2cc(OC)c(OC)c(OC)c2)cc1N 13780606 IOUONEQKDUSPAJ-NTUHNPAUSA-N 358.394 2.329 0 1 FEAF COC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C 13863359 FGGSSIPXWYFTOV-RXVVDRJESA-N 368.477 2.479 0 1 FEAF CCc1c(N)ncnc1N1CCN([C@H](CN)c2ccc(Cl)cc2)CC1 206941369 WZQPDUPNWNYRGZ-MRXNPFEDSA-N 360.893 2.097 0 1 FEAF COc1n[nH]c2cc(NC(=O)N[C@H](C[S@@](C)=O)c3ccccc3)ncc12 209351236 UPLZJJAMYIAUGF-IYJVBRSBSA-N 373.438 2.208 0 1 FEAF O[C@@H]1[C@H](NCc2ccccc2Cl)[C@H]2CO[C@@H](O2)[C@H]1n1cc(Cl)cn1 2356320724 GZIXWZGEJDJDIK-LJIZCISZSA-N 370.236 2.005 0 1 FEAF Cc1c(N2CCC[C@H](CO)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 100918089 YCGOWGAAIASIBF-LBPRGKRZSA-N 371.437 2.134 0 1 FEAF C=Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccccc1 28264231 RUPSJCMHEJRPDE-SFHVURJKSA-N 355.438 2.481 0 1 FEAF O=C(O)C[C@@H]1CCc2cc(NC(=O)OCC3CCNCC3)ccc2C1=O 27300605 PJXBRJQEOCEKEL-AWEZNQCLSA-N 360.410 2.455 0 1 FEAF CC=C(CO)C(=O)O[C@@H]1CC(C)=CCCC(CO)=C[C@@H]2OC(=O)[C@@H](C)[C@@H]21 2356769949 RUKZGUMJTZMSDC-HNONPPJISA-N 364.438 2.063 0 1 FEAF COc1ccc(N2C(=O)[C@@H]3C[C@@H](NC(=O)C4CCCC4)CCN3C2=O)cc1 3841232 MWELBUMJDKWCQE-YOEHRIQHSA-N 371.437 2.301 0 1 FEAF biogenic C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](COC(=O)CC(C)C)[C@]1(O)CCC(=O)[C@]21C 14820114 NGKFAMFILMKFJI-DUSFAAKNSA-N 364.438 2.184 0 1 FEAF biogenic CO[C@@](C)(C[C@@H]1C=C(C)C(=O)O1)[C@H](O)COc1ccc2ccc(=O)oc2c1 85759476 RQBQLXAWTWABLH-VPWXQRGCSA-N 374.389 2.200 0 1 FEAF NCc1ccc(-c2ccc(Cn3cc(O)c(=O)c(C(=O)O)c3)cc2)cc1 653885931 BVSRVNGDRITWQZ-UHFFFAOYSA-N 350.374 2.426 0 1 FEAF O=C(O)c1cn(C2CC2)c2c(F)c(N3CCOCC3)c(F)cc2c1=O 13651568 FHJKCFNPRSJSNU-UHFFFAOYSA-N 350.321 2.149 0 1 FEAF O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1C[C@@H]1CCCO1 15072141 HFURPYIFYXOKKC-AEFFLSMTSA-N 350.434 2.354 0 1 FEAF COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@]43O 2356414451 KNYQYTPZSISGOC-IWUPYOBGSA-N 354.450 2.250 0 1 FEAF CC[C@@H]1[C@H](O)C[C@]2(O[C@@H]1C)O[C@H]([C@H](C)C=CC(=O)O)[C@H](C)[C@@H](O)[C@@H]2C 2356328630 YCCKJDBCKPNDFZ-WAFUEZROSA-N 356.459 2.187 0 1 FEAF CCOC(=O)C1CCN(C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)CC1 2601927 IBYFFHCLCCMSQR-UHFFFAOYSA-N 358.394 2.210 0 3 FEAF O[C@@H]1C[C@H](c2cccnc2)[C@@H](NCc2cccc(C(F)(F)F)c2)[C@H]1O 2356344345 GNMIALIRLDMPRE-VQHPVUNQSA-N 352.356 2.468 0 1 FEAF CC[C@H](C)C=C(C)C=Cc1cc2c(cn1)C(=O)[C@](C)(O)[C@]2(O)C(=O)OC 2356348988 OCPNGNBXODBFSW-OCCQLPPTSA-N 359.422 2.395 0 1 FEAF O=C(O)Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc12 3796814 WZVYQAYHIJCCLP-UHFFFAOYSA-N 371.780 2.316 0 1 FEAF C=COC(=O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(C)cc1 26674882 PBCOXUYYTOKHQG-QGZVFWFLSA-N 361.419 2.277 0 1 FEAF O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 53250119 YPMPPCOGEJCUBV-UHFFFAOYSA-N 360.439 2.188 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H]3OC(=O)[C@H]1[C@@]23C 2356539453 OWACIDNMPZLRTG-PWNJDQGRSA-N 360.406 2.468 0 1 FEAF O=[S@@](Cc1ccccn1)c1nc2ccccc2n1CCN1CCOCC1 26006010 QCGGPOTVUUYAOW-AREMUKBSSA-N 370.478 2.071 0 1 FEAF CC[C@@H]1C[C@]2(CC)O[C@]3(CC(=O)OC)O[C@@]4([C@H](C)O)O[C@@]3(CC)[C@@H]2[C@H]14 2356802713 SPOLFFFSFXRMEK-DKQOGHETSA-N 354.443 2.373 0 1 FEAF CC(C)=CC(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@]2(O)C(=O)CC[C@@H](C)[C@@]12C 2356835838 KURJGUWPUHGLBX-QCYJLIGZSA-N 360.406 2.372 0 1 FEAF c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cncnc4)cc32)c1 216478648 VBZISNIVQBAKDD-UHFFFAOYSA-N 372.436 2.072 0 1 FEAF Nc1ccccc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1 40975858 WBVZKEJQMRQWKP-UHFFFAOYSA-N 351.454 2.496 0 1 FEAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c[nH]c(=N)[nH]c-2n1 587198816 RFXWUJRCRCVYHJ-UHFFFAOYSA-N 359.393 2.243 0 1 FEAF CCOC(=O)c1[nH]cnc1[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732217 YHERCLPTAVFBJI-NEPJUHHUSA-N 367.327 2.322 0 1 FEAF Cc1c(O)ccc2c1[C@@](C)(c1nn(C)c3ccccc13)N[C@H](C(=O)O)C2 963547375 BEUAHFOPIVKTNA-XOBRGWDASA-N 351.406 2.450 0 1 FEAF COC(=O)c1cnc([C@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)s1 962929009 ZSIKYBIICOUUCT-GOSISDBHSA-N 359.451 2.041 0 1 FEAF CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)NCCN1CCCC1 206142006 CXJRCCTWFSBLFQ-UHFFFAOYSA-N 362.474 2.213 0 1 FEAF Cc1ccc(N2C(=O)c3ccccc3[C@H]2CC(=O)N2CCN(C)CC2)nc1 1772571403 FNJJRBYQIFDWBK-GOSISDBHSA-N 364.449 2.256 0 1 FEAF NCc1cc(OCc2cccc(C(=O)N3CCc4cccnc43)c2)ncn1 1857587285 HDBIANZGLCVTMM-UHFFFAOYSA-N 361.405 2.112 0 1 FEAF C/C=C/CCC(=O)O[C@H]1C=CC2=C[C@]3(O)OC(=O)C(CO)=C3C[C@]2(C)[C@H]1C 1857608637 GDSMAUZWNNFZJH-KHJZGORMSA-N 374.433 2.331 0 1 FEAF CN(CCO)CC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1 1846108 PGOZOAJPDMEYFX-UHFFFAOYSA-N 360.841 2.458 0 1 FEAF in-man O=C(Nc1nncs1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4034631 NGRGJBMARGRWOI-WVKUQDAKSA-N 366.402 2.102 0 1 FEAF COC1=C(O)CCC([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@H]2CO)=C1 2356368020 KJIONTCDDJOZNE-XBHMSOGKSA-N 362.422 2.394 0 1 FEAF CNc1ccc(C(C)(C)C(=O)NC2[C@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)cn1 29126338 TUJYKUDQFPOWHV-XFVFRGDESA-N 370.497 2.197 0 1 FEAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2CCSC[C@@H]2C1 28755830 OLAQPXPMIQWQCE-QWRGUYRKSA-N 355.891 2.240 0 1 FEAF CN1[C@H]2O[C@@H](c3cc4c(cc32)OCO4)[C@@H]2c3cc4c(cc3[C@@H](O)[C@H]21)OCO4 2356689628 QVOJMJUPCVSMKD-RMMWZPCPSA-N 367.357 2.359 0 1 FEAF O=C(COc1ccc2ccc(=O)oc2c1)NCC1CCC(C(=O)O)CC1 2122668 YHVHPRMGHULEPG-UHFFFAOYSA-N 359.378 2.179 0 1 FEAF biogenic COCCCNC(=O)c1cnc(NCCOC)nc1-c1ccc(F)cc1 82139388 MGVVGDSXODQGGN-UHFFFAOYSA-N 362.405 2.107 0 1 FEAF CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)c2ccc(F)cc2)c1=O 25410048 SLPMKXZTAGSGPE-HIFRSBDPSA-N 369.396 2.205 0 1 FEAF biogenic CN(C)CCOc1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 586924089 GUPRXEKEIGLYMU-UHFFFAOYSA-N 351.472 2.361 0 1 FEAF COc1ccc(C=O)cc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587785569 CCFQMMAMAGFEPP-UHFFFAOYSA-N 359.407 2.301 0 1 FEAF COc1cc(Br)c([C@H](N)c2nc3cncnc3[nH]2)cc1OC 586975616 OHMUIJLFOVOYPK-LBPRGKRZSA-N 364.203 2.181 0 1 FEAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(N)c(N)cc3[nH]2)cc1 586939614 PWSCETWEXBTBSM-JTQLQIEISA-N 359.455 2.471 0 1 FEAF C[C@@]1(c2csnn2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642382 ZHMNKBAZLBWKSC-GXFFZTMASA-N 359.329 2.299 0 1 FEAF Cc1c(O)ccc2c1[C@@]1(N[C@H](C(=O)O)C2)c2ccoc2CC[C@@H]1CC(=O)O 963525209 LPQSVVJOVKHVMI-VQZRKKFQSA-N 371.389 2.173 0 1 FEAF CS(=O)(=O)C[C@@]1(c2c[nH]c3ccccc23)NCCc2ccc(O)cc21 963342037 QHBWRVGPTYSIGK-LJQANCHMSA-N 356.447 2.307 0 1 FEAF CCCCNC(=O)n1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21 169316554 BDETWDSRTDOPIK-UHFFFAOYSA-N 354.366 2.274 0 1 FEAF CN1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O 140964178 NBMFWEYZLYUTBG-UHFFFAOYSA-N 361.401 2.325 0 1 FEAF CCN(CC)CCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C 4930633 WDCSRFDHJNMWMS-UHFFFAOYSA-N 354.454 2.482 0 1 FEAF Cc1n[nH]c(C)c1CCN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 20600940 OPXJVGJTXDHZBO-UXHICEINSA-N 354.498 2.238 0 1 FEAF CNC[C@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(F)c1 114350167 XQZHZCUJORPEOS-INIZCTEOSA-N 369.400 2.249 0 1 FEAF COC(=O)[C@@]1(c2ccccc2)C[C@@H]1CN1CCN(c2ccccn2)CC1 28635518 JGRTUMOIEPJXEV-WIYYLYMNSA-N 351.450 2.335 0 1 FEAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314 29237409 ZBAQMFALLMLPSC-KDXIVRHGSA-N 369.461 2.219 0 1 FEAF COC(=O)C1=C2Nc3cc(O)ccc3[C@]23CCN2CCC[C@]([C@@H](C)O)(C1)[C@@H]23 2356683862 FHMZPCPNSNRDQC-OOCUOIDPSA-N 370.449 2.122 0 1 FEAF CCC(=O)C[C@H](O)C=CC=CC=C[C@H](C)[C@H](O)[C@H](C)[C@@H](O)C[C@@H](C)O 2356715724 PKZWOSPCXISENT-JADWYGHVSA-N 354.487 2.150 0 1 FEAF Ic1ccccc1-c1nnc(NC2=NCCN2)s1 28010778 MNOVNFPJXMFZDK-UHFFFAOYSA-N 371.207 2.181 0 1 FEAF CNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1 73161539 LHUGDICTHWDTLM-UHFFFAOYSA-N 373.482 2.282 0 1 FEAF COc1cc2c(cc1O)[C@](O)(c1ccc3c(c1)OCO3)[C@](C)(O)[C@H](C)C2 14435133 VTOAYOBQUFTMNL-HDZZMESHSA-N 358.390 2.309 0 1 FEAF biogenic O=C(O)[C@@H]1C[C@@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345720 GJDMOFALDDORLW-RIFZZMRRSA-N 371.364 2.466 0 1 FEAF NC(=O)c1cccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587127394 SGYSNVAJXSROCX-UHFFFAOYSA-N 370.312 2.017 0 1 FEAF O=C(O)CNCCNCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587228925 KADDJQUOLPRBHR-UHFFFAOYSA-N 356.451 2.478 0 1 FEAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 587938584 XSEPKDJTIBTURV-HWPZZCPQSA-N 361.423 2.056 0 1 FEAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(N)ccnc4[nH]3)cc12 587037640 LRZZCBCSHNCXTI-QMMMGPOBSA-N 355.427 2.288 0 1 FEAF CCCCS(=O)(=O)N[C@H](c1nc2c(C(=O)OC)ccnc2[nH]1)C(C)C 586932569 HECDHXSRYJXDIJ-LBPRGKRZSA-N 368.459 2.161 0 1 FEAF Oc1nc(NCc2ccccc2)c2nc([C@H](O)C3CCOCC3)nc-2[nH]1 586912232 BKASAIWJLNXGAW-CQSZACIVSA-N 355.398 2.082 0 1 FEAF CCN(CCN1CCOCC1)c1cn(C23CC4CC(CC(C4)C2)C3)nn1 209686693 YWUCYDLHHYYQRZ-UHFFFAOYSA-N 359.518 2.362 0 1 FEAF COc1cc(-n2nnc3c4nc(O)ccc4c(C)nc32)cc(OC)c1OC 1857552115 DWSGERWSUSNZMF-UHFFFAOYSA-N 367.365 2.404 0 1 FEAF O=c1/c(=C\c2ccccc2Cl)sc2n1CN(c1ccccc1)CN=2 1857614883 NRHULZUEZKUCEI-MHWRWJLKSA-N 355.850 2.447 0 1 FEAF COc1cc(N=c2nc(N(C)C)cc(C(=O)N3CCCC3)[nH]2)ccc1F 1857651655 YCLFIRPIXFGFGQ-UHFFFAOYSA-N 359.405 2.092 0 1 FEAF N#Cc1ncc2nc1OCCC=CCOc1ccc(O)cc1NC(=O)N2 253660878 SYPTWERBNSJDIK-UHFFFAOYSA-N 353.338 2.415 0 1 FEAF Cn1ncc2c(=O)n(-c3cc(OC/C=C/Cl)c(Cl)cc3F)nnc21 103288646 VTLUAKOGBXCCDI-NSCUHMNNSA-N 370.171 2.438 0 1 FEAF CCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 64539452 CSQVXMZJXOFODC-IRXDYDNUSA-N 370.453 2.432 0 1 FEAF CC(C=CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)=C[C@@H](C)CC(=O)O 2356539496 QDUUNHXRESPFEU-CZUORRHYSA-N 361.394 2.117 0 1 FEAF CN1Cc2c(ccc3c2OCO3)[C@@H]2C(=O)c3cc4c(cc3C[C@@H]21)OCO4 2356560813 GTRPODKMSBFDOI-KSSFIOAISA-N 351.358 2.481 0 1 FEAF CC1(C)C[C@H](O)C[C@]1(C)c1ccc(C(=O)OC[C@](C)(O)C(=O)O)cc1 2356684215 OEMQRFWSQMZDOR-KYNGSXCRSA-N 350.411 2.118 0 1 FEAF COC(=O)[C@@]12C[C@H]3CN(CCc4c1[nH]c1ccccc41)[C@H]2C[C@H]3[C@@H](C)O 2356770374 MUQIJJGJDAUUMI-UMVZHREOSA-N 354.450 2.226 0 1 FEAF O=C1NC(=O)[C@](CN2Cc3cc(Cl)ccc3C2=O)(c2ccc(F)cc2)N1 38224766 JBUMSXZQHQQUPH-SFHVURJKSA-N 373.771 2.170 0 1 FEAF CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccccc2)nc1 40404650 YRAAQFQJJDVFAG-UHFFFAOYSA-N 350.421 2.345 0 1 FEAF Cn1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)CNC4=O)cccc2c1=O 222373430 IWGQMHPNGOJNRQ-UHFFFAOYSA-N 351.410 2.382 0 1 FEAF CC(=O)c1cc(OCC(F)(F)F)c(=O)n2c1CC[C@H]2C(=O)N1CCCC1 40916758 HFTJVJQUTQIVKL-ZDUSSCGKSA-N 372.343 2.102 0 1 FEAF C[C@]12CC/C(=C3/C[C@@H](c4ccoc4)OC3=O)C[C@@]1(O)CC[C@@H](O)[C@]2(C)O 238782324 VZNUIGFGDXIJDN-JEHWTPKXSA-N 362.422 2.391 0 1 FEAF CC(=O)N1[C@@H]2CN(C(=O)c3ccc(F)cc3)c3ccccc3[C@@H]2[C@@H]1CO 95893746 ACJFIJVGUPSGMQ-QYZOEREBSA-N 354.381 2.161 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 238773734 WMGYLVZNPCNSGB-OLNKCVBMSA-N 364.438 2.387 0 1 FEAF Cc1cc(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cn1CC1OCCO1 95557436 CSVUVKCOLSBIBI-UHFFFAOYSA-N 372.465 2.228 0 1 FEAF CCNC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C[C@H]1[C@H](C)O 95600023 VMFUPQGPMVXQTN-FDARSICLSA-N 370.497 2.498 0 3 FEAF CCOC(=O)C1(C(=O)OCC)CC2(CC(=O)c3cc(C)cc(N)c3O2)C1 587401740 XOCNFPAUVVCOCG-UHFFFAOYSA-N 361.394 2.188 0 1 FEAF COC(=O)c1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2n1 587228770 XZDVOEJRFVRWFN-UHFFFAOYSA-N 354.366 2.213 0 1 FEAF NS(=O)(=O)c1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167374 RTWVJUVCRCXIJW-FPLPWBNLSA-N 360.370 2.001 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c(=O)cn2)N1 587773710 RKJYTCNAJGAZCA-GLEZIHRCSA-N 352.207 2.469 0 1 FEAF O=C(O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCCO 5426399 LDUBDFDZFOQXGF-HTGUDJHRSA-N 370.486 2.448 0 1 FEAF CCN(CC)S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1 3045471 CHUBWBXOARDAJY-UHFFFAOYSA-N 371.547 2.292 0 3 FEAF FC(F)Oc1ccc2nnc3c(I)cnn3c2c1 64446806 RBXHKGMWZPHCLO-UHFFFAOYSA-N 362.077 2.484 0 1 FEAF COc1cc(-c2cc3nc(NCCN(C)C)ccn3n2)cc(OC)c1OC 61895521 MQQSZPBGUZXODH-UHFFFAOYSA-N 371.441 2.396 0 3 FEAF COC(=O)[C@H]1[C@@H](O)O[C@H](C)C2=CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 31456500 VNZAGMCDYZBYNC-HEWDNIFYSA-N 368.433 2.497 0 1 FEAF CC1(C)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2[C@H](O)[C@H]1O 13373996 UTMWJRQEAWMMPF-PKOBYXMFSA-N 370.357 2.437 0 1 FEAF biogenic CC(C)CC(=O)N1CCNC[C@@H]1C(=O)NCc1ccc(Cl)c(Cl)c1 45201376 YOPQRCYTUTZYDB-OAHLLOKOSA-N 372.296 2.456 0 1 FEAF COC(=O)[C@@H]1C[C@]23CCC=[N+]4C(=O)C[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 238773222 KXKJPTQUWPYFPS-MWGPDUTGSA-N 351.426 2.238 0 1 FEAF COC(=O)[C@@H](C)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 261161605 QYNAQLREJTWFFI-SNVBAGLBSA-N 354.370 2.011 0 1 FEAF CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cncc(N)c4)nn23)cc1 299822469 CWYLAPQTDCSIGL-UHFFFAOYSA-N 365.418 2.444 0 1 FEAF CC(=O)N[C@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(C)cc1 587217761 YZDBXFSQTBLJBS-QGZVFWFLSA-N 361.409 2.267 0 1 FEAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1N1C(=O)c2ccccc2C1=O 587638284 FEKOQONZIAUTOZ-UHFFFAOYSA-N 364.313 2.453 0 1 FEAF Cc1cc2c(cc1O)[C@@]1(CCN(Cc3ccccc3)C1)N[C@H](C(=O)O)C2 963473090 QOCHNNMJDCHPFA-RXVVDRJESA-N 352.434 2.401 0 1 FEAF COC(=O)[C@@H]1C(=O)C[C@@]2(C[C@H]1C)NCCc1c(OC)ccc(Cl)c12 963268914 BBBGOQYFKLOUTD-XODWSEBVSA-N 351.830 2.478 0 1 FEAF CCOC(=O)c1cnc(N(C)N2C(=O)C=C(C)C2=O)nc1-c1ccsc1 13818250 QGSTZWKBOUUVMJ-UHFFFAOYSA-N 372.406 2.048 0 1 FEAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C[C@@H]3CCCO3)CC(=O)N21 16040324 BLFCOEKPOUONKU-SUMWQHHRSA-N 367.449 2.178 0 1 FEAF biogenic NCC=C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 166645367 HMZJNAZJZTUHNB-UHFFFAOYSA-N 372.400 2.054 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)OC3=C[C@]12O 2356393392 JEYGGYOYAPLJFZ-GIERTALISA-N 362.422 2.163 0 1 FEAF CC(=O)O[C@@H]1CC=C(C)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C 2356329689 KCTHTUFPZVGRQO-PYVSUIIGSA-N 350.411 2.404 0 1 FEAF OC[C@@H]1[C@H](O)C[C@@H](NCc2ccc(F)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 2356288765 KNQIJSUWMBVVED-IYWMVGAKSA-N 371.456 2.183 0 1 FEAF O=C(NC1CCCC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 102306660 VXVAXTVQJBEBRG-OLMMMNRUSA-N 358.463 2.089 0 3 FEAF OCC[C@@H]1CN(Cc2cccc3c2OCO3)CCN1Cc1ccccc1 22932950 GYKCUBAIXHINER-LJQANCHMSA-N 354.450 2.484 0 3 FEAF CSCC[C@H](CO)NC(=O)[C@H](CC(C)C)N1Cc2ccccc2C1=O 2356671028 LIJVTJRSCIZDLA-WBVHZDCISA-N 364.511 2.287 0 1 FEAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1N[C@@H]1CCSC1=O 82203550 RTUXJLQIJPRPHU-OAHLLOKOSA-N 361.515 2.294 0 1 FEAF CC(C)N1CCN(C(=O)OC2CCN(c3ncccc3F)CC2)CC1 223539777 JNWHSKKAVYPMSR-UHFFFAOYSA-N 350.438 2.352 0 1 FEAF CN1C(=N)N[C@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1=O 96929111 GTDYUUXEUKWIMF-QGZVFWFLSA-N 357.801 2.199 0 1 FEAF O=C(OC[C@@H]1C=C[C@H](n2ccc(O)nc2=O)O1)[C@@]12C[C@@H]3CCC[C@H](C1)[C@H]3C2 253639351 SKJUKNSINSATBL-AJOKBQGHSA-N 372.421 2.162 0 1 FEAF CCCc1c(O)ccc2c1O[C@](C)([C@H](CC(=O)OC)C(=O)OC)CC2=O 587479151 KLNLVBXWUFWGEJ-YJYMSZOUSA-N 364.394 2.421 0 1 FEAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(O)nc(O)nc3[nH]2)c1 587203333 LGCJBOZPMKUOKZ-UHFFFAOYSA-N 370.369 2.281 0 1 FEAF COc1cccc(CNC(=O)COc2cc(=O)n(C)c3ccccc23)c1 5066711 BDBLOHZQYXKFRP-UHFFFAOYSA-N 352.390 2.242 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)N[C@@H]1CCCc2ccccc21 169689354 LUYDYUNUZBCJEW-LDAIKLSLSA-N 364.445 2.377 0 1 FEAF NC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccccc1 207345299 ONOFWQOMNXXKBI-INIZCTEOSA-N 366.421 2.099 0 1 FEAF c1ccn2c(NCCN3CCOCC3)c(-c3ccc4nccn4c3)nc2c1 1857547639 XABQOBUCWFLGOD-UHFFFAOYSA-N 362.437 2.393 0 1 FEAF COc1ccccc1C(=O)N1C[C@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 2356302563 ZDKHFLQNQIMPSL-CJNGLKHVSA-N 352.390 2.334 0 1 FEAF CCOC(=O)Cc1nc2nc(N3C[C@@H](CC)CC[C@H]3C)ccc2[nH]c1=O 3955097 RIQJFFQIEJMHJK-OLZOCXBDSA-N 358.442 2.439 0 1 FEAF O=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1cccc(F)c1 4569532 CQZYNVWIXAWHCE-AWEZNQCLSA-N 368.455 2.470 0 3 FEAF C[C@]12C(=CC[C@]34COC(=O)C3=CCC[C@@H]41)C(=O)O[C@H](c1ccoc1)[C@@H]2O 2356417622 GYLOEZJWLQFGKI-ZGMAETJZSA-N 356.374 2.454 0 1 FEAF CC1=NNC(=O)[C@H]1C(c1ccc(Cl)cc1Cl)[C@H]1C(=O)NN=C1C 101958665 ILZDKBKYGIHZCG-FUNVUKJBSA-N 353.209 2.321 0 1 FEAF Cc1c(C(=O)NCCc2ccccc2)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] 102066544 KNQPQBZIBWUHSD-UHFFFAOYSA-N 357.797 2.041 0 1 FEAF COc1cc(C=CCO)cc2c1O[C@H](c1ccc(O)c(CO)c1)[C@H]2CO 2356539660 VRNSHBSCENBOKC-QFBILLFUSA-N 358.390 2.108 0 1 FEAF COc1cccc2nc(C[C@@H]3CN(C(=O)C4CC4)CC[C@@H]3CC(=O)O)[nH]c12 2356719055 NJKRKHAHORWAIH-ZIAGYGMSSA-N 371.437 2.463 0 1 FEAF Cn1c(=O)c(C2=C[C@H](c3cccs3)NNC(=O)N2)c(O)c2ccccc21 3846494 WAHMMOGEUUVRJD-LLVKDONJSA-N 368.418 2.205 0 1 FEAF biogenic CC[C@@H]1Cn2c(c(NCc3ccc(OC)cc3)c(=O)n(C(C)C)c2=O)N1 82224318 COQJPNLKJVQTBV-CQSZACIVSA-N 358.442 2.416 0 1 FEAF CC[C@H]1Cn2c(c(NCc3ccc(OC)cc3)c(=O)n(C(C)C)c2=O)N1 82224320 COQJPNLKJVQTBV-AWEZNQCLSA-N 358.442 2.416 0 1 FEAF Cc1cnc(NC#N)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 87612989 JHXSXKGRNCAPQP-MRXNPFEDSA-N 362.393 2.137 0 1 FEAF C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)C2)C[C@H]1N(C)c1ncnc2[nH]ccc12 261186096 XLWYJSMYNALODL-DVOMOZLQSA-N 355.442 2.000 0 1 FEAF C=CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 618018380 ZSXJWVLVYZWMTQ-JTQLQIEISA-N 364.345 2.319 0 1 FEAF CC(C)COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1nc2ccccc2s1 473084243 RDNVIEBJBWYJCN-CQSZACIVSA-N 372.450 2.491 0 1 FEAF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cccnc3N)CC2)C1=O 473109906 UKCBLKSZWWDLPE-UHFFFAOYSA-N 373.501 2.329 0 1 FEAF CC(C)[C@@H](C)n1cc(-c2cc(C(C)(C)O)n(C)n2)c2[nH]nc(N)c2c1=O 653813173 MUDVASGRHKWSTJ-SNVBAGLBSA-N 358.446 2.152 0 1 FEAF Nc1ccn2c1[C@@]1(CNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589612 VXTVATWNMLZIIK-UZLBHIALSA-N 363.373 2.194 0 1 FEAF CCCS(=O)(=O)N1CCC(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CC1 586952803 NZEZWWULAJJGIZ-OAHLLOKOSA-N 365.459 2.206 0 1 FEAF CCS(=O)(=O)NCCCc1nc2cc(Br)c(F)cc2[nH]1 586943072 UWWYBICEAVYTIR-UHFFFAOYSA-N 364.240 2.336 0 1 FEAF Cc1cccc(CN2CCn3nc(C(=O)N4CCCCC4)cc3C2=O)c1 1772604371 VHMKYQYQSNFDNU-UHFFFAOYSA-N 352.438 2.474 0 1 FEAF C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@H](C)c1ccccc1)C2=O 13121095 MUHJSZSXIZAGRR-AVYPCKFXSA-N 357.454 2.407 0 1 FEAF COc1ccc2c3c1O[C@H]1C[C@@H](OC(C)=O)C=C[C@@]31CCN(C(C)=O)C2 15250799 ISSJWVMTALZOHY-KNBMTAEXSA-N 357.406 2.338 0 1 FEAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 169306105 PAALMPCHQXIBEW-LLNLHMJWSA-N 369.461 2.074 0 1 FEAF O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 169704156 ZBJDRRTVBWHVAP-MRXNPFEDSA-N 366.400 2.497 0 1 FEAF Cc1cccc(-c2ccc3c(O)oc(=O)c(C(=O)NCC(=O)O)c3c2)c1 166022390 TYPRUQFXYRAUBB-UHFFFAOYSA-N 353.330 2.288 0 1 FEAF O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NC1CCCC1 2966833 WSPJGVILKHNOQV-AWEZNQCLSA-N 356.451 2.193 0 1 FEAF CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2CC(=O)N1CCCc2ccccc21 4410708 GQDUBRJIZQZKDI-YQQQUEKLSA-N 355.482 2.487 0 3 FEAF Cc1cc(C)n2nc(S(=O)(=O)Nc3cccc4cccnc34)nc2n1 103286341 HFOXYAPCRUPHDA-UHFFFAOYSA-N 354.395 2.090 0 1 FEAF Cc1cc(F)ccc1S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1 116780896 OYRLVXOXERUGJG-UHFFFAOYSA-N 360.370 2.215 0 1 FEAF COCCNC(=O)c1sc(=O)n(Cc2ccc(SC)cc2)c1C 61896738 PJGSRFKKCROLAB-UHFFFAOYSA-N 352.481 2.365 0 3 FEAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@H](C)OC 29337737 NRFWWEJRUBOFAK-LBPRGKRZSA-N 357.882 2.408 0 1 FEAF C[C@]1(O)[C@H](O)CC[C@]2(O)CC(=C3C[C@@H](c4ccoc4)OC3=O)CC[C@]21C 2356432274 VZNUIGFGDXIJDN-DLRXZHIHSA-N 362.422 2.391 0 1 FEAF CC=C1CCN2CC[C@@]34c5ccccc5N(C)[C@@]35OC[C@@]4(C(=O)OC)[C@@H]1[C@@H]25 2356607190 CYFATKZTJDBVGJ-ITEKTMBMSA-N 366.461 2.314 0 1 FEAF CCOC(=O)c1cnc(-c2ccsc2)nc1NN1C(=O)C=C(C)C1=O 29394948 NKVHDZTUPQKDRT-UHFFFAOYSA-N 358.379 2.024 0 1 FEAF CC1(C)C[C@@H](O)C[C@@]1(C)c1ccc(C(=O)OC[C@](C)(O)C(=O)O)cc1 2356684213 OEMQRFWSQMZDOR-CCKFTAQKSA-N 350.411 2.118 0 1 FEAF CCOC(=O)c1noc2nc(C)n(CCOc3ccc(F)cc3)c(=O)c12 21648705 GBBYUOHKFZCARI-UHFFFAOYSA-N 361.329 2.088 0 1 FEAF CCc1nc(C(=O)NCc2ccc(C(=O)OCCN(C)C)cc2)cs1 82069903 KRBAECXHSVYPRH-UHFFFAOYSA-N 361.467 2.354 0 1 FEAF CCC[C@@H](C)NC(=O)[C@H](N)Cc1cccc(I)c1 84373608 NKYDVLOPBZLPSF-ZWNOBZJWSA-N 360.239 2.466 0 1 FEAF Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)OC[C@H]2CCCN2C)co1 82074056 FCONTSVCJRUDGR-OAHLLOKOSA-N 371.437 2.359 0 1 FEAF CC[C@@]12CC(C(=O)OC)=C3N(C)c4ccccc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24 238763584 XFPKWKLYFTYINK-DIMUUIPOSA-N 366.461 2.457 0 1 FEAF CC[C@@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCCN1CCCCC1 25434069 QRRRQTWIRUNTLI-MSOLQXFVSA-N 366.550 2.445 0 1 FEAF biogenic C[C@H](Oc1ccccc1)C(=O)NCc1nc2cnc(C(F)(F)F)[nH]c-2n1 587226423 ZCJODPSGXBVZSL-VIFPVBQESA-N 365.315 2.407 0 1 FEAF CC(=O)NC(C)(C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772611428 WPUNYFOEVRFBKU-UHFFFAOYSA-N 353.426 2.346 0 1 FEAF O=C(NCC(=O)N1CC(F)(F)C(F)(F)C1)Nc1ccc2cnccc2c1 1772640703 UFDKSBSTTLCMOV-UHFFFAOYSA-N 370.306 2.469 0 1 FEAF CCCn1c(=O)c2c(nc3[nH]c(C)c(C)n32)n(Cc2ccccc2)c1=O 13648071 OQLCMCFQKFYOAN-UHFFFAOYSA-N 351.410 2.214 0 1 FEAF CNC(=O)C[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)c2ccccc2C1=O 13757407 USPASZMTYOACPK-HNNXBMFYSA-N 368.389 2.177 0 1 FEAF Cc1ccc2c(c1)N(CC(=O)N1CCN(C3CCCCC3)CC1)C(=O)CO2 15936095 HUMHZSKUDTUUND-UHFFFAOYSA-N 371.481 2.197 0 3 FEAF COCCCN1C[C@H]2[C@H](CNC(=O)c3cccc4cc(C(C)C)nn34)[C@H]2C1 1857640883 ILSMRXOPLLAUJB-NNZMDNLPSA-N 370.497 2.402 0 1 FEAF CCCOc1ccc(NC(C)=O)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 1541550 SCJNHFXNFYISNU-UHFFFAOYSA-N 355.398 2.379 0 1 FEAF CC(=O)Nc1ccc2c(c1)[C@@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CC2 28823659 YTTKIXYFWFTJFB-IBGZPJMESA-N 369.465 2.493 0 1 FEAF Cc1ccc(OCCn2ccc(=O)[nH]c2=O)c(C(=O)c2ccccc2)c1 72127557 CRIIQFBIOOMABI-UHFFFAOYSA-N 350.374 2.155 0 1 FEAF COC[C@H](NC(C)=O)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 49785016 XDQUOPFRKZAPEW-IBGZPJMESA-N 374.412 2.172 0 1 FEAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cccc(F)c2)n1 146984026 GNXDYFHZZDWAEG-GOSISDBHSA-N 367.384 2.320 0 1 FEAF C[C@H]1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O 96935359 ARUWGSPXMHTGRX-CGGYICEXSA-N 352.471 2.043 0 1 FEAF CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2cccc3[nH]ccc23)n1 84653220 YXULRTVZRGHXHN-UHFFFAOYSA-N 372.450 2.006 0 1 FEAF O=C(NCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1cc2c(s1)CCC2 587034360 HXOGHHUIFDZERW-UHFFFAOYSA-N 365.422 2.019 0 1 FEAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/[C@@H](O)CCCCCO 12496243 XQXUYZDBZCLAQO-BUDYOJSRSA-N 370.486 2.015 0 1 FEAF endogenous,in-man O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc2ncccc2c1 13110850 WYGMMUBQAMBGGY-BZUPMSHVSA-N 361.401 2.371 0 1 FEAF C[C@@H]1C(=O)N(C(=O)[C@@H]2C[C@H]2C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]12 13443234 IGUJARIQHGSCCJ-PEHHYFEISA-N 356.422 2.427 0 1 FEAF COc1cc2c(cc1O)[C@H](c1ccc(OC)c(OC)c1)[C@@H](CO)[C@H](CO)C2 14435288 KWAWYJQFQMCYSM-HTZUNMPGSA-N 374.433 2.323 0 1 FEAF biogenic,in-vitro c1cc(-c2n[nH]c3cnc([C@@H]4CCCOC4)cc23)nc(N2CCNCC2)c1 205262685 QKRLKEOSBXNMGP-CQSZACIVSA-N 364.453 2.324 0 1 FEAF N#CN1CC[C@@H](NC(=O)c2ccc3c(c2)CCN3c2nccc(C3CC3)n2)C1 1857616522 UUUIGNXIXREHHC-QGZVFWFLSA-N 374.448 2.333 0 1 FEAF C[C@]1(CO)[C@H](O)CC[C@]2(C)[C@H]1CC=C1C[C@H]3C[C@@]12CC[C@]3(O)C(=O)O 2356326239 VZCNFBDSJFYVOH-QXFKZLCPSA-N 350.455 2.098 0 1 FEAF CNC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)c(NC(C)=O)c1 3007954 LMBYJAOTEVFDON-UHFFFAOYSA-N 366.826 2.491 0 3 FEAF Cc1ccc2c(c1)S(=O)(=O)N(C)C(C(=O)Nc1ncc(C)s1)=C2O 28109474 WZCSMILXZLIZGL-UHFFFAOYSA-N 365.436 2.259 0 1 FEAF COc1ncc(Nc2ncc([C@H](C)O)cc2-c2nc(C)nc(N)n2)cc1F 113238196 RFMMTRCKHHKIJM-QMMMGPOBSA-N 371.376 2.164 0 1 FEAF O=S(=O)(CCCN1CCc2cc(O)ccc2[C@@H](O)C1)c1ccccc1 64573572 ZYYFEHLCIDSZSW-IBGZPJMESA-N 361.463 2.148 0 1 FEAF O=C(O)C(=O)Nc1cc(-c2ccccc2)cc(NC(=O)C(=O)O)c1Cl 141209059 IQKGSEXWCLOENN-UHFFFAOYSA-N 362.725 2.053 0 1 FEAF CCC(=O)N1CCC2(CC1)CN[C@H](CO)c1c2c2ccc(OC)cc2n1C 95868867 LGWYZPDCYYQAIB-MRXNPFEDSA-N 371.481 2.094 0 1 FEAF COc1cc(OC)c2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2c1 586951141 ITBIGGDHGCZYHB-UHFFFAOYSA-N 368.440 2.384 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@H]4CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O 587448874 HNGIYAIMRFDCGS-VTLGYEHRSA-N 356.374 2.271 0 1 FEAF CN1CCN(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587593546 KEWSBEFOHZXDQX-GHTZIAJQSA-N 368.433 2.360 0 1 FEAF Fc1cccc2c1C1(CCN(CCN3CCOCC3)CC1)N1CCC[C@H]1C2 963106417 MZXBIGIABALHQU-IBGZPJMESA-N 373.516 2.470 0 1 FEAF CC(C)(O)[C@@H](O)Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12 14819532 ZPPVCMASJXQQMG-INIZCTEOSA-N 372.373 2.251 0 1 FEAF biogenic,in-vitro COc1cc2c(cc1OC)[C@H]1C[C@@H](N)[C@@H](N3CCCCCC3=O)CN1CC2 169311443 HNCSYKUUKHXRCJ-KURKYZTESA-N 373.497 2.105 0 1 FEAF CCCN[P@@](=O)(Oc1ccc(S(N)(=O)=O)cc1)c1ccccc1 1857574673 XBRYFYVWFPOYAA-QFIPXVFZSA-N 354.368 2.231 0 1 FEAF CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1ccccc1 114344264 UVOCNINDPZNPIC-MRXNPFEDSA-N 351.410 2.110 0 1 FEAF O=C(c1ccco1)N1CCN(Cc2nnc(-c3ccccc3F)o2)CC1 20177864 MFXWCRGNYZHDBR-UHFFFAOYSA-N 356.357 2.427 0 3 FEAF CC(=CCCC(=CCO)CO)CCC=C(C)C[C@H](O)[C@H](O)C(C)(C)O 2356410258 FTWKAMFFFFYMJW-OALUTQOASA-N 356.503 2.233 0 1 FEAF O=C1C[C@H](O)[C@H]([C@H]2C[C@H](O)CCC23Oc2cccc4cccc(c24)O3)O1 2356516778 JGGAIMHFJGEJKE-PXWIGAEESA-N 356.374 2.145 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@H](C)[C@]21C 2356692450 WKMBTXJFBQEZHO-OAJHIWMTSA-N 362.422 2.452 0 1 FEAF Cc1cc2nc(N3CC[C@H]3C(N)=O)nc(Nc3cc(C4CC4)[nH]n3)c2s1 35278988 VBSNKFCTGXVBGM-LBPRGKRZSA-N 369.454 2.408 0 1 FEAF O=C(CNC(=O)c1ccc(F)cc1)N[C@H](c1ccccc1)c1cccnn1 40917600 BESWAUVYRXNIKU-LJQANCHMSA-N 364.380 2.251 0 1 FEAF COCCN1C(=O)CC[C@@]1(C)c1nnnn1-c1ccc2ccccc2c1 199242842 IRYCWKCHJXTGPN-IBGZPJMESA-N 351.410 2.300 0 3 FEAF NC(=O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1 82155856 JQICHLGPNKWAQP-UHFFFAOYSA-N 351.410 2.466 0 1 FEAF CC(C)(Oc1ccccc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 220084657 FCCOUNWXDOSHHJ-IBGZPJMESA-N 368.477 2.379 0 1 FEAF C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 95675518 PHXITHQOKRDDQC-FDPIWHGQSA-N 374.481 2.079 0 1 FEAF CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccnc3)c2=O)CC1 25429201 UIQKUMICTJZIQF-AEFFLSMTSA-N 364.493 2.424 0 1 FEAF biogenic C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(C)=O)N(C(=O)C3CC3)[C@H]2CO)cc1 95894945 HMSAMPDYDGLPOA-XLGQSGQMSA-N 356.466 2.263 0 1 FEAF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C 257694461 YOQIGAVHLYFIAF-ZQORIDFCSA-N 364.438 2.243 0 1 FEAF endogenous,in-man CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(O)nc(S)nc2[nH]1 586963421 NINLGVCBVVRMOC-LURJTMIESA-N 350.429 2.395 0 1 FEAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC21CNC1 1772599352 RGUMWWMMIUXJDE-UHFFFAOYSA-N 361.405 2.165 0 1 FEAF CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)cc1 1857576919 TYKNXFPQGLILIT-YKQWKKEUSA-N 370.445 2.024 0 1 FEAF C[C@@]12CC[C@@H]3[C@](C)(CO)[C@H](O)CC[C@@]3(C)[C@H]1C[C@H](C1=CCOC1=O)O2 1857581702 QTYVPMSAPQBXMM-UUTQPTAWSA-N 350.455 2.203 0 1 FEAF O=C1CN(c2cnnc(O)c2Cl)CCN1Cc1ccccc1Cl 1857605718 JKMGXFAXTFJRJW-UHFFFAOYSA-N 353.209 2.338 0 1 FEAF O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc2sccc12 115069781 ZKRBWAAJBYZARH-UHFFFAOYSA-N 370.434 2.002 0 1 FEAF CCOC(=O)[C@@H](C)NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12 26568368 XVGAJGMPZMGVLG-MRVPVSSYSA-N 367.199 2.181 0 1 FEAF CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cccc(C)c2C)C1 61902697 BTQIOYVWWUZZOJ-SFHVURJKSA-N 366.483 2.012 0 3 FEAF O=C(CN1C(=O)NC(=O)[C@H]2CCCC[C@@H]21)NCc1nc2ccccc2s1 214428669 CQDJQWWIEVIGDA-AAEUAGOBSA-N 372.450 2.023 0 1 FEAF O=C1c2ccccc2CCN1CCCN1CCN(c2ccccn2)CC1 40407668 ICNBRZLPNIRJTH-UHFFFAOYSA-N 350.466 2.292 0 1 FEAF COc1cc(C(=O)[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 14435789 RWAKIPFJHIOZAN-MNVSYLFESA-N 374.389 2.294 0 1 FEAF biogenic Cc1cccc(O[C@@H]2CN[C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)c1 49114520 XWPBSMSNECILFO-VQTJNVASSA-N 357.498 2.191 0 1 FEAF CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@H]1C2 254133191 UTCQOVZSZNFTKB-SLEUVZQESA-N 373.482 2.365 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2ccc(Br)c(C)c2)CC1 618020267 VDDSELSXLHEZNF-UHFFFAOYSA-N 359.289 2.348 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1c(=O)oc(=O)c3ccccc31)O2 587398796 HZEDZGOWEVXWRA-HXUWFJFHSA-N 366.373 2.269 0 1 FEAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(O)nc(O)nc3[nH]2)cs1 587020444 SRVMXJLLBIEAGI-UHFFFAOYSA-N 364.387 2.158 0 1 FEAF COCC[C@@]1(CC(=O)OC)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962759153 BERCLEZBIDKCAG-CJNGLKHVSA-N 359.344 2.127 0 1 FEAF CN(C)CC1=CC2=CN(S(=O)(=O)c3ccccc3)C3=CC=C[C@@H](O1)[C@H]23 1772625508 TUTKZANFXFVKEG-RTBURBONSA-N 356.447 2.489 0 1 FEAF NC(=O)c1cc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1N1CCCCC1 13154025 BDRHHTPONBYHDD-GJZGRUSLSA-N 353.422 2.231 0 3 FEAF NC(=O)c1ccccc1-c1ccc2oc(N3CCOCC3)cc(=O)c2c1 13677121 PNYMEXJNICPURK-UHFFFAOYSA-N 350.374 2.396 0 1 FEAF CC(=O)[C@@H]1CO[C@@H](O)[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 169637770 XSCQMBRUSKHLQE-SZELBSGTSA-N 364.482 2.185 0 1 FEAF Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)cc12 4873127 AJAWOIFKHOWNCV-LBPRGKRZSA-N 367.379 2.067 0 3 FEAF Cn1c(=O)c(C(=O)CCC(=O)O)c(O)c2ccc(Br)cc21 103265041 GZQNECCMESWBBW-UHFFFAOYSA-N 354.156 2.054 0 1 FEAF CC(=O)N1C[C@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H](C1)N2C 100829975 MTXRPDMJUTTWPL-IAGOWNOFSA-N 370.497 2.187 0 1 FEAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@@H]2CCNC[C@H]12 28523440 YUXOQHWVQKFINS-RBUKOAKNSA-N 352.482 2.062 0 1 FEAF C[C@H](Oc1ccc([S@](C)=O)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 38929926 OEZIOTVGUGZTPR-BXWROAIISA-N 351.468 2.360 0 1 FEAF COC(=O)c1ccc([C@@H]2C=C(C(=O)O)O[C@H](OCCCCO)C2)cc1 33749286 OGCCBTKTUVQNTH-ZBFHGGJFSA-N 350.367 2.061 0 1 FEAF Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NS(C)(=O)=O 1911572505 YIVYYCRMILNOHA-UHFFFAOYSA-N 361.345 2.017 0 1 FEAF COc1ccc(CCNC(=O)c2c(C)n(O)c3ccc(C)cc3[n+]2=O)cc1 49069985 DVZUPPVVAMCKKD-UHFFFAOYSA-O 368.413 2.391 0 1 FEAF CCCCc1cnc(SCC(=O)c2cccc(S(N)(=O)=O)c2)nc1 96940230 HIYNXKSGYONSGA-UHFFFAOYSA-N 365.480 2.442 0 1 FEAF Cn1c(=O)c2c(nc3n2CCCCN3C2CCCCCCC2)n(C)c1=O 95579375 OIWPHFNDHLZVBX-UHFFFAOYSA-N 359.474 2.147 0 1 FEAF O=C(OCc1ccncc1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 378483927 BMIKDIWICOAHJN-UHFFFAOYSA-O 356.749 2.136 0 1 FEAF COc1ccc(-c2noc([C@@H]3CCCN3C3CCN(C(C)=O)CC3)n2)cn1 35425815 KRKJFUBZHLXNSW-INIZCTEOSA-N 371.441 2.288 0 1 FEAF biogenic COC(=O)[C@](C)(O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809080 QDXNUSIYKJDWCU-QXRSLXQMSA-N 360.223 2.262 0 1 FEAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(O)c2cnn(C)c2n1 587872357 KHLDXANMCDXHLI-UHFFFAOYSA-N 354.345 2.459 0 1 FEAF O=C(Nc1nc(Cc2nc3cnnc(O)c3[nH]2)cs1)c1cccc(O)c1 587019519 MPGBYLXOLCNQJS-UHFFFAOYSA-N 368.378 2.064 0 1 FEAF CNCc1cn(S(=O)(=O)c2cccnc2)c(-c2cccnc2F)c1C 116579201 GRLRDEGEFMSHLZ-UHFFFAOYSA-N 360.414 2.349 0 1 FEAF COc1cc([C@@H](C)Nc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC 5890536 XYFUGBCTVUPCML-SECBINFHSA-N 370.413 2.388 0 1 FEAF COc1ccc(NCc2ccccc2)c(C(=O)C[C@@H](NC(C)=O)C(=O)O)c1 13558624 KGANRUWXLISAKF-GOSISDBHSA-N 370.405 2.469 0 1 FEAF C[C@H]1C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 6488824 BRYGRWNTDBRNDJ-YVEFUNNKSA-N 354.362 2.478 0 1 FEAF CCCn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1C)C1=C(O)OCC1=N2 103644525 MVWMNQOCCVRLTP-AWEZNQCLSA-N 367.405 2.283 0 1 FEAF C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 58622563 VHCBVNYAJHXYLS-RFZSNADRSA-N 369.461 2.162 0 1 FEAF C[C@H]1CN(C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@]4(C)[C@H](O)[C@H]32)C[C@@H](C)O1 504748179 AGRFRTKLCPEWTJ-GDHKTXLISA-N 363.498 2.381 0 1 FEAF biogenic Cc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)NCC2CC2)c1 82145987 GJNOZBDKCRBUCP-UHFFFAOYSA-N 352.438 2.428 0 1 FEAF OCc1cn(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 140127773 IRLXTLHUZXBNSK-UHFFFAOYSA-N 358.405 2.307 0 1 FEAF C[C@H](CNC(=O)[C@H]1CC[C@@H](c2ccccn2)NC1=O)N(C)c1ccccc1 618012474 LLFCNFZHHCZENN-SUMDDJOVSA-N 366.465 2.290 0 1 FEAF COc1ccc(CC(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)cc1 299842283 FLLIKADOIGYBJN-QZTJIDSGSA-N 351.450 2.223 0 1 FEAF CCc1cc(O)nc(SCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)n1 586966820 ONDVSKUIRRNUOP-UHFFFAOYSA-N 364.452 2.317 0 1 FEAF C=CC(=O)N1CCN(C(=O)CNc2cc(Cl)c(Cl)cc2OC)CC1 221984936 YQEWYSSETWXWAA-UHFFFAOYSA-N 372.252 2.271 0 1 FEAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1C(=O)Nc1ccc(Cl)cc1 1772573118 JFIHIFNEEVOXAR-ZDUSSCGKSA-N 357.753 2.178 0 1 FEAF Cc1cc(=O)n(C)cc1-c1ccc([C@H](C)[C@H](N)C(=O)N2CC[C@H](F)C2)cc1 14947715 CQZYMQFYUWHDDN-VHFSOBRXSA-N 371.456 2.362 0 1 FEAF COc1ccccc1[C@H]1[C@@H](C(=O)c2ccccc2)C(=O)C(=O)N1C[C@@H](C)O 169687303 XGERDGWLTOVYBC-BVGQSLNGSA-N 367.401 2.028 0 1 FEAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccncc2)nc1 1491303 MYCGVXWMKLFTGA-UHFFFAOYSA-N 369.328 2.147 0 1 FEAF CCCC(CCC)c1n[nH]c2c1CN(S(=O)(=O)N1CCOCC1)CC2 23379649 JWMMIUITXIPHPX-UHFFFAOYSA-N 370.519 2.029 0 1 FEAF CCN(C[C@@H](C)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1)c1ccccc1 27736293 WDHNSTCZVPHUHW-AUUYWEPGSA-N 357.454 2.029 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC(CO)=CC[C@H](O)C(C)=C[C@@H]2OC(=O)[C@@H](C)[C@H]21 2356634935 QQVBXEPCEBPLSG-OGCZYDBJSA-N 364.438 2.062 0 1 FEAF O=C1[C@@H](O)N=C(c2ccccc2Cl)c2cc(Cl)ccc2N1CCO 29571401 JTNDIFMEKHROLD-MRXNPFEDSA-N 365.216 2.488 0 1 FEAF COC(=O)[C@H]1OC(=O)C=C(Cl)c2oc3cc(C)cc(O)c3c(=O)c21 14924295 XEADRORPHLTLNQ-HNNXBMFYSA-N 350.710 2.158 0 1 FEAF biogenic COC1=CC2=C(O)C(=O)N3c4ccccc4C(=O)N4CCC[C@H]4[C@@H]3N2C=C1 85647000 FTKBEAYOJYGZKC-MAUKXSAKSA-N 365.389 2.107 0 1 FEAF biogenic O=C(O)CCC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604110 RDDKWMQFCGQURV-HNAYVOBHSA-N 372.329 2.432 0 1 FEAF COc1cncc(N)c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587254934 YZNDXNOARRIBLG-UHFFFAOYSA-N 363.381 2.275 0 1 FEAF CC(=O)Nc1ccc2nc(O)n([C@H]3CO[C@H](C(C)(C)C)OC3)c(=O)c2c1 1857578589 LZMOFIFYIGAFSX-YGUOUDRMSA-N 361.398 2.021 0 1 FEAF NCc1cc(Oc2cccc(C(=O)N3CCc4cccnc4C3)c2)ncn1 1857597844 DXBMSPLMUIFTAD-UHFFFAOYSA-N 361.405 2.321 0 1 FEAF O=C1c2cc3ccoc3cc2O[C@@H]2COc3cc4c(cc3[C@]12O)OCO4 6119193 HLEAVDSSZUIWQI-IEBWSBKVSA-N 352.298 2.385 0 1 FEAF endogenous,in-man C/C=C/CC(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26500207 FRKDCROOGBHQRN-NHZBNJEXSA-N 362.451 2.384 0 1 FEAF COc1ccc(CCNC[C@H](O)COC(=O)c2ccccc2C)cc1OC 25974047 IDQZSVVLLSWIME-KRWDZBQOSA-N 373.449 2.362 0 1 FEAF CC(C)[C@H]1[C@@H](OC(=O)[C@@H](C)[C@@H](C)O)C[C@@H](C)[C@@H](O)CC=C2C[C@H]1OC2=O 2356425082 FFZUKRDLFPYGRN-VXNIMSTFSA-N 368.470 2.220 0 1 FEAF C[C@H](C=C[C@](C)(O)C(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)O[C@H]3CC[C@@]12C 2356573347 KJLCZLBABYCKPW-PEIHSMAWSA-N 364.482 2.494 0 1 FEAF CCc1nc(C(=O)N[C@H](C(=O)OCCCCN(C)C)C(C)C)cs1 82070357 NCJCMOGEFFCTTI-HNNXBMFYSA-N 355.504 2.345 0 1 FEAF O=C(Nc1cnccn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 42922486 ISTKOWJOJRORQE-UHFFFAOYSA-N 367.438 2.349 0 1 FEAF C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OC[C@@H]1CCCN1C 82083923 ZFRHSULATFGQNA-RYUDHWBXSA-N 363.439 2.159 0 1 FEAF NC(=O)c1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)no1 49793022 MGZSIZGOSXVCNX-UHFFFAOYSA-N 356.304 2.235 0 1 FEAF CCCCc1cc(O)cc2c1C(=O)C[C@@](O)(Cc1cc(O)cc(=O)o1)O2 238779536 PQQOYLHBCJNDOC-LJQANCHMSA-N 360.362 2.290 0 1 FEAF COC(=O)C(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806616 KFBKSLJEJRTIQR-VXJOIVPMSA-N 358.207 2.470 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(CC(=O)OCc3ccccc3)[nH]c12 587782913 SCTVTWKXRZDHQL-UHFFFAOYSA-N 373.434 2.099 0 1 FEAF Cc1ccc(NC(=O)[C@@H](N=O)c2ccc3c(O)nc(O)nc3n2)c(C)c1 587552829 CULFVFUABCXYIT-ZDUSSCGKSA-N 353.338 2.499 0 1 FEAF FC(F)c1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cnc2ncnn12 587128900 SPURYMLXRJSESS-UHFFFAOYSA-N 356.218 2.366 0 1 FEAF Nc1nccc(C2=C[C@@H](CNc3ncc(C(F)(F)F)cc3Cl)ON2)n1 957626663 ITVOUMHHLNNLBE-QMMMGPOBSA-N 372.738 2.482 0 1 FEAF CC1(C)Cc2c(cnc3ncnn23)[C@]2(C1)NCCc1nc3ccccn3c12 962985808 HDKIXCNQKRVKRX-FQEVSTJZSA-N 359.437 2.134 0 1 FEAF C[C@H](C(=O)O)N1CCC(Nc2nc(-c3ccc(C(=N)N)cc3)cs2)CC1 13765811 GKZGZOCUWIMUGH-LLVKDONJSA-N 373.482 2.444 0 1 FEAF CC1CCN(C[C@@H](NC(=O)[C@H]2Cc3ccc(O)cc3CN2)C2CC2)CC1 1857634710 HSCGRQITYPZQOK-WOJBJXKFSA-N 357.498 2.033 0 1 FEAF O=C(CCS(=O)(=O)c1cccc2nsnc12)NC1CCCCC1 2496250 GSVOZMDWLMRCJO-UHFFFAOYSA-N 353.469 2.304 0 3 FEAF CCN1CCC[C@H](COC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)C1 26376636 BINQIJHLGNUKBW-GJZGRUSLSA-N 358.438 2.475 0 1 FEAF Cc1nnc2ccc(N3CC[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)nn12 28707367 ONTUZNAWDVAWIB-BMIGLBTASA-N 362.359 2.171 0 1 FEAF COc1cc(-c2c[nH]n3c(=O)ncnc23)ccc1[S@@](=O)c1ccccc1 111426405 RAUZDCRFPSDXRB-AREMUKBSSA-N 366.402 2.260 0 1 FEAF investigational CCCn1nnc2cc(C(=O)N[C@@H]3CCCCN(CC)C3)c(OC)cc21 26154266 KFSLZEQRJYOBAI-CQSZACIVSA-N 359.474 2.454 0 1 FEAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccccc1 2356510243 RGGZJJQAMCJCBP-KSZLIROESA-N 365.543 2.017 0 1 FEAF C[C@H](C=C[C@](C)(O)C(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)O[C@@H]3CC[C@]12C 2356573345 KJLCZLBABYCKPW-KNGPCOMHSA-N 364.482 2.494 0 1 FEAF O=C(O)C[C@@H]1CCc2cc(NC(=O)/C=C/C3CCNCC3)ccc2C1=O 27300615 FNHRZNMQPPDBFU-IQHSHDKKSA-N 356.422 2.401 0 1 FEAF C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1ccccc1Cl 219121838 VSVZYHLVZWMRMJ-NSHDSACASA-N 354.801 2.433 0 1 FEAF C[C@@H]1C[C@]23C[C@](C)(CCC[C@@H]2[C@@]1(CO)CC/C(=C/CO)CO)OC3=O 146259609 UWTGBDCCWCEIBB-MMDFDTFJSA-N 352.471 2.188 0 1 FEAF Cc1nc(CN2CCO[C@H]3CN(Cc4nccs4)C[C@@H]3C2)cs1 299843864 YSOSOXIOUQFBHX-ZFWWWQNUSA-N 350.513 2.241 0 1 FEAF CC1=C(c2ccc3nc(-c4nnn(C)c4C(F)F)[nH]c3c2)NNC(=O)C1 587129503 XCCCMKQNNXDFGY-UHFFFAOYSA-N 359.340 2.052 0 1 FEAF CN(Cc1nc2ccc3ncccc3c2[nH]1)S(=O)(=O)c1cccnc1 586929118 SEEKNOFHFLEXAV-UHFFFAOYSA-N 353.407 2.327 0 1 FEAF CCOC(=O)C1=CN(C)C(=O)C[C@@]12c1ccc(F)cc1C[C@@H]1CCCN12 963112088 WOIGTUBJRMXDGI-MGPUTAFESA-N 358.413 2.351 0 1 FEAF COc1cc2c(cc1O)CC[C@@]21N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963511837 VFVKNQBMOYRCFP-VBKZILBWSA-N 355.390 2.204 0 1 FEAF NC(=O)N1CCCc2cc(-c3cncc(OCc4cccnn4)c3)cnc21 1772646648 CTIZXSDNIAAFQB-UHFFFAOYSA-N 362.393 2.344 0 1 FEAF CC(=O)[C@H]1[C@H](c2ccc3ncccc3c2)NC(=O)N[C@@]1(O)C(F)(F)F 12377578 JLCFJNZTUINILZ-YDHLFZDLSA-N 353.300 2.045 0 1 FEAF COc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)nc2ccccc12 204329147 ZISFDLHPKNLHJJ-ORAYPTAESA-N 355.438 2.284 0 1 FEAF CS(=O)(=O)c1nc(-c2nc(-c3ccccc3)nc3ccccc23)n[nH]1 1857751658 RDMCOWDCHDNVOI-UHFFFAOYSA-N 351.391 2.485 0 1 FEAF COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H](C(=O)O)[C@H]2CO)ccc1O 1665311 MAEVGGSLCDAPGW-KSMMKXTCSA-N 374.389 2.112 0 1 FEAF COc1cc(NC(=O)c2nc(-c3ccncc3)no2)cc(OC)c1OC 6841712 YNEFPTPFGFHHGT-UHFFFAOYSA-N 356.338 2.410 0 1 FEAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1ccc(F)cc1)C2 101505634 UWIJJKQVHZAEEP-OSYLJGHBSA-N 363.433 2.297 0 1 FEAF CN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 20115930 YCBKBLPOSGXAKU-QZTJIDSGSA-N 369.490 2.433 0 1 FEAF C[C@H](CCc1ccc(N(C)C)cc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27745127 XRIRNXLNSXNEBK-VLIAUNLRSA-N 371.481 2.201 0 1 FEAF CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@H]2C/C(=C\COCC(=O)O)C[C@H]2C[C@H]1O 34049428 ARUGKOZUKWAXDS-JKIJOCHZSA-N 374.477 2.225 0 1 FEAF in-vitro C[C@]12[C@H](CC[C@@]34COC(=O)[C@@H]3C=CC[C@@H]41)C(=O)O[C@@H](c1ccoc1)[C@@H]2O 35086316 LUULUVJLHOXOBF-VFAJMHKUSA-N 358.390 2.390 0 1 FEAF COc1ccc(/C=C(\C(N)=O)c2cc(OC)c(OC)c(OC)c2)cc1N 38154369 IOUONEQKDUSPAJ-QPEQYQDCSA-N 358.394 2.329 0 1 FEAF C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@H]1CN(C)C 95711578 VZKDZVNXGYLRRI-KHYOSLBOSA-N 373.497 2.431 0 1 FEAF CCOC(=O)[C@]1(C(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598304 SZSJBVKPFIWTDV-DNVCBOLYSA-N 356.330 2.245 0 1 FEAF N[C@H](Cc1nc2c(O)ncnc2[nH]1)c1ccc(Br)cc1F 587144678 PZQPWLMWGIRYKJ-SECBINFHSA-N 352.167 2.203 0 1 FEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 586957909 FNQWZSTWPGAUAW-CQSZACIVSA-N 370.793 2.219 0 1 FEAF C[C@@H](NC(=O)Cn1ncc2ccsc2c1=O)c1ccc2c(c1)OCCO2 5036007 FUPABUHJOINFIG-LLVKDONJSA-N 371.418 2.107 0 1 FEAF CCOC(=O)[C@@]1(C)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169294346 ZGZCDLPPASRPHK-DICRZQGBSA-N 368.389 2.052 0 1 FEAF COc1ccccc1NC(=O)[C@@H]1C(C)=Nc2nnnn2[C@@H]1c1ccncc1 169690989 NAKKTXMMMZGXJP-HZPDHXFCSA-N 363.381 2.027 0 1 FEAF O=c1n(CCCCCNC[C@H]2CCc3ccccc3O2)c(O)c2n1CCC2 169725396 HSBHWVSZXUGNDP-QGZVFWFLSA-N 371.481 2.455 0 1 FEAF COC(=O)N[C@H]1CSC[C@H]1OC(=O)c1ccc(Br)cc1 2855806 MSJQIJWBTUHVCV-WDEREUQCSA-N 360.229 2.446 0 3 FEAF O=C(NCCCN1CCCCC1)[C@@H]1CCC(=O)N1CCc1ccccc1 3958337 TUNGONXUGOQREA-IBGZPJMESA-N 357.498 2.212 0 3 FEAF O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCc1cccnc1 4669393 XUCLJNXYLZJDNR-UHFFFAOYSA-N 356.813 2.378 0 3 FEAF O=C(O)Cn1ncn2c(c(-n3cccc3)c3c4c(sc32)CCCC4)c1=O 6750299 ROUPJDPPSCAFLA-UHFFFAOYSA-N 368.418 2.465 0 1 FEAF CCNC(=S)SC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 103264648 IHRLSNKLZCSCJM-AWEZNQCLSA-N 358.439 2.072 0 1 FEAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)C[C@@H]1O 26571751 QHUNSJYFZSECMJ-SGMGOOAPSA-N 352.822 2.080 0 1 FEAF C[C@H]1CN(C2=C(Cl)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)CCN1 64622527 MSGYYPPTYJUYBZ-VIFPVBQESA-N 373.762 2.323 0 1 FEAF Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)cc2)c1 64447686 JDRSQGJWTVRNGM-LPHOPBHVSA-N 373.932 2.136 0 1 FEAF COC(=O)C=CNC(=O)c1cc2c([nH]c3c(O)cccc32)c(C(C)=O)n1 2356738595 MSIFARBJMGDQFS-UHFFFAOYSA-N 353.334 2.041 0 1 FEAF O=C(O)CCCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 38267029 LKHRJTDHHBSRDF-UHFFFAOYSA-N 350.802 2.426 0 1 FEAF Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)n(C4CC4)n3)nc12 218498912 KGMRTXQASTWZKR-UHFFFAOYSA-N 352.446 2.053 0 1 FEAF COc1ccc(-n2c(=O)nc(NCCc3cccc(Cl)c3)[nH]c2=O)cc1 36408288 FMDNUUFZRJSSCF-UHFFFAOYSA-N 372.812 2.237 0 1 FEAF CO[C@H]1c2ccc(-c3ccc4c(c3)O[C@H](CO)[C@H]4CO)cc2O[C@H]1OC 14695350 XUAGYARHMDGNBA-JOCLIGHLSA-N 358.390 2.235 0 1 FEAF biogenic CCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)C[C@@H](CC)N2 82227978 DJVJXXPXTBYIQP-CQSZACIVSA-N 358.442 2.245 0 1 FEAF CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C[C@@H]2CCCO2)c1=O 45357788 OGPQHEMBKDJNNB-AWEZNQCLSA-N 354.410 2.142 0 1 FEAF CC1=C(O)[C@@H]2O[C@@]3(O)C(=O)C[C@@H](C)[C@H]4C[C@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C 85814787 WKNPIBKVHHVICI-QTJLULJGSA-N 360.406 2.029 0 1 FEAF in-man O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(O)c(F)c1 95571757 RWGCYZQZMFBNFU-PKOBYXMFSA-N 355.413 2.362 0 1 FEAF CCc1csc(N2[C@H](CO)[C@H](c3ccccc3)[C@@H]2CNCCOC)n1 95894835 QLCYONVZQZLORY-RCCFBDPRSA-N 361.511 2.275 0 1 FEAF COc1ccc2c3c1O[C@@H]1C[C@H](OC(=O)C[C@@H](C)O)C=C[C@@]31CCN(C)C2 85797106 MJSGJSLIEXDCKY-GCGWJHLCSA-N 373.449 2.172 0 1 FEAF biogenic O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ncc[nH]c-2n1 586945665 LCBMDNFXAALERN-UHFFFAOYSA-N 361.408 2.105 0 1 FEAF COc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1C 586930528 RKROXMSCAZJWHI-UHFFFAOYSA-N 361.423 2.415 0 1 FEAF C[C@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)cc3n21 13883922 XQUDASONXZVNEJ-SECBINFHSA-N 363.414 2.215 0 1 FEAF C[C@]1(O)CCN(Cc2cncnc2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356288320 AOSZFNZGINDLCY-SBHAEUEKSA-N 366.465 2.069 0 1 FEAF C/C=C1\[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O 100197342 BERYBAUEDCRDKM-CQEXIFEJSA-N 350.418 2.313 0 1 FEAF in-vitro CCN1CCC[C@@H]1CNC1=NS(=O)(=O)C(c2ccc(F)cc2)=C1C 9268470 IHRDRQPUDAZBJV-OAHLLOKOSA-N 351.447 2.373 0 1 FEAF C[C@H](CCc1ccc2c(c1)OCO2)NC[C@@H](O)c1ccc(O)c(C(=O)O)c1 26998160 BQQSUMYMDNUMIW-SJKOYZFVSA-N 373.405 2.463 0 1 FEAF CN(C)C[C@@H]1CN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)CCO1 224891912 KPOYYDYAIZZVSV-MRXNPFEDSA-N 362.437 2.263 0 1 FEAF Cn1nccc1-c1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1 225554365 SDRJQLZZLHXCQL-UHFFFAOYSA-N 361.409 2.257 0 1 FEAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CC[C@@H]12)[C@H](CO)C3 85932417 FQXFNQBHZJYODR-ZGPFBNCZSA-N 352.471 2.034 0 1 FEAF in-man CSc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O 378155746 LQWOLOSDULVVNJ-UHFFFAOYSA-N 359.172 2.057 0 1 FEAF CC1CCN(C(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@]2(C)CC[C@@H](O)[C@@]3(C)CO)CC1 43554567 XNXJJKLFGSSXSU-GNFBJIGASA-N 367.530 2.182 0 1 FEAF biogenic Nc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1N 587164636 YHUSIVDJVQARQQ-UHFFFAOYSA-N 352.373 2.144 0 1 FEAF O=C(O)CCC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1ccccc1 587561098 NNBPMPIAEAVYSI-UHFFFAOYSA-N 353.334 2.079 0 1 FEAF O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN1CCCC(F)(F)F 15070150 PHINRNHBVSGIJA-CQSZACIVSA-N 368.363 2.408 0 1 FEAF Cn1cccc(C(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1=O 205824290 GDYQNHDEYPXVIM-YBEGLDIGSA-N 360.373 2.458 0 1 FEAF O=C1OC[C@](O)(Cc2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2 155376466 BWMJBJJDRXPGGP-UCJKYMQBSA-N 368.341 2.058 0 1 FEAF C=C(C)[C@H]1CC=C(C(=O)OC)CC(=O)C[C@@]2(C)CC(=O)[C@H](CC(=O)C1)O2 253776874 CCRQLJVTUBLUBL-GMVOTWDCSA-N 362.422 2.497 0 1 FEAF CCNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 27420002 KQSAZOWSGDIGCL-UHFFFAOYSA-N 363.364 2.111 0 1 FEAF Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cccc(c23)N[C@@H]1c1ccc(F)cc1 117890454 VGCYLQAHCSEGLE-HZPDHXFCSA-N 362.368 2.489 0 1 FEAF CC(C)NC[C@@H]1O[C@@H](Cc2cc(CN3CCCCC3)on2)CC[C@H]1O 2356596715 ONQRAODOWPZCMU-QRQLOZEOSA-N 351.491 2.110 0 1 FEAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4[C@@H](O)CN(C2=O)[C@@H]13 2356694156 WPAFASNFOAYXNJ-BVRPNZJKSA-N 368.433 2.273 0 1 FEAF CCCCN1C(=O)[C@@H](CC(=O)NC2CC2)CC(C(=O)N(CC)CC)=C1C 61921502 HFXDKTKUPSLERT-OAHLLOKOSA-N 363.502 2.446 0 3 FEAF Cc1ccc(NC(=O)c2ncn(CCCNC[C@@H]3CCCO3)n2)cc1C 61936055 PZKUFHDXCCOBBI-KRWDZBQOSA-N 357.458 2.306 0 3 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cccnn4)ncc23)ccn1 219761733 RPQYTTRFEDRVTD-UHFFFAOYSA-N 360.381 2.440 0 1 FEAF Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)nn3CC3CC3)nc12 218490654 GNIQGOUKPIPNLL-UHFFFAOYSA-N 366.473 2.128 0 1 FEAF C/C=C1/CN2CC[C@@H]3Nc4ccccc4[C@@H]3[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 238768392 QLRORKBBLVDRPD-QAXFFASWSA-N 356.466 2.386 0 1 FEAF COC(=O)c1cc2[nH]c([C@@H](C)NC(=O)CC(F)(F)F)nc2cc1OC 587094218 NEFAKBUZVWGDOP-SSDOTTSWSA-N 359.304 2.488 0 1 FEAF CS(=O)(=O)N1CCC(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)CC1 587874899 FEXZJKHBLQDPFQ-UHFFFAOYSA-N 365.386 2.107 0 1 FEAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccnn4C)c(=O)n1c23 1857557097 YVWPDQVKVZMIJC-SNVBAGLBSA-N 370.384 2.017 0 1 FEAF CNC(=N)N[C@@H](C)CCCC(=O)CC(=O)CCc1ccc(O)c(OC)c1 2356369300 QFGPZIBQWYPDLH-ZDUSSCGKSA-N 363.458 2.164 0 1 FEAF O=C1NC2(CCN(C(=O)Cc3ccc(F)cc3)CC2)N=C1c1ccccc1 20556385 NDINBMHTMZTAMR-UHFFFAOYSA-N 365.408 2.306 0 1 FEAF CCCC(=O)N1CCOC[C@@H]1c1cc(C(=O)NCc2ccccc2)no1 61929219 AACKQNGCOKUKOC-MRXNPFEDSA-N 357.410 2.305 0 3 FEAF CCN(CC)C(=O)[C@@H]1CCCN(C(=O)n2oc(=O)c(C(C)C)c2C)C1 26941135 JWKHKMJIWFZOPA-CQSZACIVSA-N 351.447 2.422 0 1 FEAF C[C@@H](O)[C@@H]1CC[C@@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356588784 GWFUMWNECJPGQG-CQPMVYPRSA-N 350.499 2.393 0 1 FEAF CN1[C@H]2C[C@H](O)[C@H]1[C@H]([C@@H](O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C2 2356697415 PNMXNAGXMLFKBK-QHOCJJNXSA-N 367.445 2.399 0 1 FEAF CC1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2F)C1 38798466 XPVFEFPKUFRYPJ-UHFFFAOYSA-N 365.380 2.270 0 1 FEAF CC(C)NC(=O)c1nnc2n1CCN(C(=O)c1ccc3ccccc3c1)C2 74376004 IEFDUKIESJCPTB-UHFFFAOYSA-N 363.421 2.226 0 3 FEAF Cc1cc(NC(=O)C(C)(C)C)cc(S(=O)(=O)N2CCOCC2)c1C 45348454 IALHRRNWTXYGFJ-UHFFFAOYSA-N 354.472 2.309 0 1 FEAF C[C@H]1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2ccncc2)C1 222446565 IZLYGFLPNZLQKP-QFBILLFUSA-N 367.449 2.139 0 1 FEAF CC(C)C[C@@H](C(=O)Nc1nccs1)n1c(=O)[nH]c2ccccc2c1=O 95603476 BQMHATOCVWTFBK-ZDUSSCGKSA-N 358.423 2.372 0 1 FEAF C/C(=C\CC/C(=C/CO)CO)CC/C=C(\C)C[C@H](O)[C@H](O)C(C)(C)O 238768935 FTWKAMFFFFYMJW-IJEUJIKRSA-N 356.503 2.233 0 1 FEAF C[C@@H](NC(=O)NCCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 653834969 MDFQFFUNJMSZCU-CQSZACIVSA-N 361.467 2.327 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 587231290 NKDSCTXWIFLOHW-UWVGGRQHSA-N 371.363 2.360 0 1 FEAF CCS(=O)(=O)c1ccc2nc(CCNC(=O)Cc3ccccc3)[nH]c2c1 587228422 LOEJXBPHECTZKY-UHFFFAOYSA-N 371.462 2.258 0 1 FEAF CCCCCCC[C@](C)(O)/C=C/[C@H](NC(=O)C(C)(C)CO)C(=O)OC 200291557 AIXCNRAGZJBODF-ULILPIJMSA-N 357.491 2.330 0 1 FEAF O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C/c1ncc[nH]1 1772620001 VRXITTRKTGPRLP-MUMAZLPKSA-N 374.400 2.366 0 1 FEAF CN1CCCCC[C@H]1C(=O)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 11981227 OPTQXHBMGQPWHE-HKUYNNGSSA-N 366.465 2.438 0 1 FEAF COc1ccc(CNCCc2ccco2)cc1OC[C@@H](O)CN1CCCC1 12057056 KRGMRFNARJEEFP-SFHVURJKSA-N 374.481 2.456 0 1 FEAF CC(C)[C@@H](c1nnnn1C(C)(C)C)N1CCN(Cc2cccnc2)CC1 19445949 POEXVWGSEAKPQB-KRWDZBQOSA-N 357.506 2.338 0 3 FEAF COc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 205229236 BXGNOESFTZCTTN-ZWKOTPCHSA-N 372.446 2.427 0 3 FEAF Cc1ccc(C(C)C)c(OCc2nc(N3CCN(C)CC3)[nH]c(=N)n2)c1 1857580723 VBMVDBKXTONKNR-UHFFFAOYSA-N 356.474 2.047 0 1 FEAF Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)c1 2957707 NBZRPCKQFPMTQP-UHFFFAOYSA-N 365.393 2.125 0 3 FEAF CCOc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 4119085 VVKZUZWKTSSYRH-QGZVFWFLSA-N 374.462 2.410 0 3 FEAF Cc1ccsc1S(=O)(=O)N1CCC[C@H](N(C)CCCN(C)C)C1 20540415 UHNHYEYFZCQRJH-HNNXBMFYSA-N 359.561 2.093 0 1 FEAF C/C=C1/CN2CC[C@@]34c5ccccc5N[C@@]23CC[C@@H]1[C@@]4(CO)C(=O)OC 219274213 ZUOSKQRUXOLOBC-JEIZZUFXSA-N 354.450 2.274 0 1 FEAF O=c1ncn(Cc2cccc(Cl)c2)c2nc(N3CCOCC3)sc12 84730976 QUUHPRPSVOBJKA-UHFFFAOYSA-N 362.842 2.391 0 1 FEAF COc1ccc(OC)c(CCNc2nc(N3CCOCC3)ncc2C)c1 82202762 MEMLTXRWUDPBKV-UHFFFAOYSA-N 358.442 2.293 0 1 FEAF CC[C@H]1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H](O)[C@@H]1C 40917964 KRERBZWVTNUEMD-SIVJFFJCSA-N 352.822 2.293 0 1 FEAF COCCN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1 40878400 XESWBZAIRXTAPJ-UHFFFAOYSA-N 367.427 2.499 0 1 FEAF NC(=O)c1ccc(N[C@H]2CNCC[C@H]2c2ccc(F)cc2)c2cncnc12 143746609 QXQBUHCSEYQBBD-KSSFIOAISA-N 365.412 2.425 0 1 FEAF COC(=O)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594848 PMBVWLOYGUXCFU-BEFAXECRSA-N 356.330 2.245 0 1 FEAF O=c1c2cc(Cl)ccc2cnn1C(=S)NCCN1CCCCC1 587654846 OJLTVLBKRNVJJU-UHFFFAOYSA-N 350.875 2.258 0 1 FEAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 586892157 URDUCCKZNVMTEY-QRWLVFNGSA-N 356.470 2.217 0 1 FEAF COc1ccc(CCN2C[C@H](C(=O)N3CCSCC3)CCC2=O)cc1 11956518 SAFLZORYIFOXHJ-MRXNPFEDSA-N 362.495 2.052 0 3 FEAF O=C(O)[C@H]1[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@@H]2C=C[C@H]1C2 13130908 UMRYQUBZRNBMRO-ZGBXMTLHSA-N 366.461 2.367 0 1 FEAF CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(C)ccc3nc2-1 13282471 FREMMFBXXMQTKV-OAQYLSRUSA-N 362.385 2.388 0 1 FEAF Cc1cccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)c1 13657439 PUOXIMKXKSSSAH-LBPRGKRZSA-N 372.425 2.430 0 3 FEAF CN(C)c1ccc(CC(=O)N=c2ccn(Cc3ccc(F)c(F)c3)[nH]2)cn1 1857639696 PNAQMBCCITXUCG-UHFFFAOYSA-N 371.391 2.274 0 1 FEAF CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCCO)cc1 4041287 XWHBMTPZYUICIB-RDJZCZTQSA-N 359.451 2.014 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@@H](NCc2ccccc2F)C[C@H]1O 2356288644 ILCBFGPWRHSWIA-QGZVKYPTSA-N 371.456 2.183 0 1 FEAF COc1ccc(-c2nc3n(n2)[C@H](c2cccnc2)[C@@H](C(N)=O)C(C)=N3)cc1 61868524 MTBDOMHZZQSUJH-JKSUJKDBSA-N 362.393 2.146 0 1 FEAF CO[C@@]12CC[C@]3(CO1)[C@@H]1[C@H](C[C@H]4[C@@H](OC(C)=O)CCC[C@H]43)OC(=O)[C@@]12C 2356587331 HXIZZPINGVXRRQ-OFYMDARDSA-N 364.438 2.439 0 1 FEAF CCCc1csc(SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)n1 26668157 AHECTILLTUNTNK-YJFSRANCSA-N 368.480 2.341 0 1 FEAF COc1c(Br)cc2c(c1Br)OC[C@@H](O)OC2 28652113 OSWWUIZBCASXSX-ZETCQYMHSA-N 353.994 2.448 0 1 FEAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2ccncc2)C1 222446502 IZLYGFLPNZLQKP-VQIMIIECSA-N 367.449 2.139 0 1 FEAF CC(=O)N[C@H]1CCN(c2ncc(C)c(NCCNc3ccccc3)n2)C1 82203721 IXLMPQLOJLAVRV-KRWDZBQOSA-N 354.458 2.024 0 1 FEAF CN1CCCC[C@@]1(C)c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1 43010123 DWCBYHSUKCYVPJ-IBGZPJMESA-N 374.416 2.288 0 1 FEAF COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5C[C@H]43 148633863 ZTHVHELPCLGXHF-JKVNTWLESA-N 364.445 2.101 0 1 FEAF in-vitro COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCN(C)C)C2 141834634 RZOGHFBQNLNPLN-MDKPJZGXSA-N 358.482 2.172 0 1 FEAF COc1cccc(OC)c1-c1ccnc2cc(CC(=O)NC3CC3)nn12 299850261 VOHVLFFJRXQFRR-UHFFFAOYSA-N 352.394 2.235 0 1 FEAF C[C@@H]1C[C@H](O)[C@]2(C)[C@H](C[C@H](O)C[C@@]23CO3)[C@@]1(C)CCC1=CC(=O)OC1 85675202 NWWRMGWINPNNEM-XIWHOJOLSA-N 350.455 2.203 0 1 FEAF biogenic NS(=O)(=O)c1c[nH]c(-c2nc3c(F)cc(Br)cc3[nH]2)c1 586929776 JKNUCRUIOKZKLB-UHFFFAOYSA-N 359.180 2.107 0 1 FEAF COc1cc(OC)nc([C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)n1 962571041 OIDNDXGEWHRWCL-VOJFVSQTSA-N 359.426 2.477 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cn(C)nc1C(F)(F)F)NCC2 962928908 UHPDYMQJUWLKGX-CQSZACIVSA-N 352.360 2.376 0 1 FEAF COc1cncc(-c2ccc3c(c2)[C@]2(COC(=N)N2)C2(COC2)[C@H](C)O3)c1 1772637786 FODVISLDJAALAH-FKIZINRSSA-N 367.405 2.305 0 1 FEAF CCOC(=O)[C@H]1CCCN(C(=O)c2cc(COc3ccccc3)[nH]n2)C1 11820035 VTGGLXKIGIXUIS-AWEZNQCLSA-N 357.410 2.404 0 1 FEAF CC1(C)O[C@H]2[C@H](COC(=O)c3ccccc3)O[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 11847471 PVMUOTUDLIZEAN-WNZSCWOMSA-N 364.394 2.240 0 1 FEAF CCOc1ccc(C2=c3cc(OC)ccc3=NC(c3cccnc3)=NN2)cc1 103824500 HILUDBZEAOKVSA-UHFFFAOYSA-N 372.428 2.230 0 3 FEAF NC(=O)c1coc([C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2Cc2ccccc2CCC(=O)O)n1 29211937 FOBQHMSFYXBCHJ-DNMXQMFDSA-N 370.405 2.294 0 1 FEAF COC(=O)CC[C@H]1CC[C@@H](C(=O)OC)c2ccc(S(=O)(=O)O)cc21 2356875792 ZTNLIVFMOYNFBS-ZWNOBZJWSA-N 356.396 2.021 0 1 FEAF COc1cc(OC)c(S(=O)(=O)Nc2ccccc2)cc1NC(C)=O 73258631 LJZJFOIFDKKIFD-UHFFFAOYSA-N 350.396 2.463 0 1 FEAF CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2cccs2)c1=O 45355211 SHCXDZDXJJTJPV-UHFFFAOYSA-N 370.434 2.210 0 1 FEAF Cc1ccc(C(=O)N2CC[C@@H]3NC(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1 25423429 IDUYLZPSEWCVAY-DLBZAZTESA-N 367.380 2.474 0 1 FEAF biogenic O=C1c2ccccc2S(=O)(=O)[C@H]2c3[nH]c4ccc(O)cc4c3CCN12 473090249 NLFBMAKZZRTFTI-SFHVURJKSA-N 354.387 2.358 0 1 FEAF Cc1c(I)cnn1[C@@H](C)c1nc2cnncc2[nH]1 587182122 LOBIRCYLHSUXNJ-ZETCQYMHSA-N 354.155 2.072 0 1 FEAF Cc1c(O)ccc2c1[C@@]1(C[C@H]3NCCc4cccc1c43)N[C@H](C(=O)O)C2 963551512 NXZSYTGEXIWEBY-MRUHUIDDSA-N 350.418 2.134 0 1 FEAF C[C@]1(c2ccc(C(F)(F)C(=O)O)[nH]2)N[C@H](C(=O)O)Cc2cccc(F)c21 962916459 DWOAHHKHQNGJER-MGPLVRAMSA-N 368.311 2.193 0 1 FEAF O=C(OC1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2cccnn2)c2ccccc12 1772600755 ADJUDKJPYLLAKQ-YIONKMFJSA-N 364.405 2.097 0 1 FEAF CN(Cc1cccc(-c2ccc(N3CCOCC3)cc2)c1)C(=O)CCN 1772592693 PPMMVYGLRDCAMJ-UHFFFAOYSA-N 353.466 2.497 0 1 FEAF Cc1cc(Nc2nc(C(=O)N3CCNCC3)nc3ccc(Cl)cc23)n[nH]1 1772587900 CERAAQKYLKJFDL-UHFFFAOYSA-N 371.832 2.104 0 1 FEAF O=C(c1cc(=O)c2c(O)cccc2o1)N1CCN(c2ccccc2)CC1 13558838 SKYTZJJBTDVFSL-UHFFFAOYSA-N 350.374 2.461 0 1 FEAF Cc1nnc2ccc(C(=O)NC3CN(c4ncccc4F)C3)cc2c1C 1857545499 HYAXTDFAXCRKPP-UHFFFAOYSA-N 351.385 2.399 0 1 FEAF Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(O)c2)cc1OCC(N)=O 645302 HVVHDOCHVAUINQ-UHFFFAOYSA-N 370.814 2.019 0 3 FEAF O=C1CC[C@@H]2[C@H](O)c3cc4c(cc3[C@H](c3ccc5c(c3)OCO5)N12)OCO4 6005647 JOCDYUMUWHCJQD-CAYVGHNUSA-N 367.357 2.271 0 1 FEAF O=C(N1CCOCC1)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 100627142 DEGSKRFQJYSPHH-QJRTVWDNSA-N 350.850 2.086 0 1 FEAF C[C@H](CO)NC(=N)c1c(O)nsc1Nc1ccc(-n2cccn2)cc1 101101163 CRCNLDNCVSQFLX-SNVBAGLBSA-N 358.427 2.074 0 1 FEAF COc1ccc(C=O)c(OCc2cn([C@H]3C[C@@H]4CC[C@H](C3)N4C)nn2)c1 100597492 MQWQKTVRYJAKOR-BJWYYQGGSA-N 356.426 2.476 0 1 FEAF O=C1[C@H]2C[C@H]2C(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F 28478097 CKUVJWILNPUODE-OKILXGFUSA-N 363.348 2.162 0 1 FEAF COC(=O)[C@H](CCSC)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C 66101258 HGQHAIRMDNUOHW-HOTGVXAUSA-N 362.495 2.286 0 1 FEAF COc1ccc(-c2nc3c(c(=O)[nH]2)[C@@H]2CCN(C(C)=O)C[C@@H]2S3)cc1 28524430 QESYRUAZGKRFRG-KGLIPLIRSA-N 357.435 2.256 0 1 FEAF CC1(C)C[C@H](O)C[C@@]1(C)c1ccc(C(=O)OC[C@](C)(O)C(=O)O)cc1 2356684214 OEMQRFWSQMZDOR-JVPBZIDWSA-N 350.411 2.118 0 1 FEAF Cc1nc(C(=O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)c(C)o1 26577537 XNTUYCJUGQKJHX-AWEZNQCLSA-N 360.391 2.447 0 1 FEAF COC1CCC(n2c(=O)c(-c3cc[nH]n3)cc3c(C)nc(N)nc32)CC1 64746360 UDXSDTPXGCELRI-UHFFFAOYSA-N 354.414 2.202 0 1 FEAF in-vitro CCOc1cccc(C(=O)NCN2CCC(c3cccc[n+]3[O-])CC2)c1 38149987 HVRQNODQEAIUQA-UHFFFAOYSA-N 355.438 2.286 0 1 FEAF CC[C@@H]1Oc2ccc(Br)cc2[C@]2(COC(N)=N2)C12COC2 149292291 UVKPJIHODHUWCZ-SWLSCSKDSA-N 353.216 2.177 0 1 FEAF CC(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3cccc4ccccc34)CO[C@H]21 25226840 MVOQAYJFPWZODK-VSZNYVQBSA-N 356.378 2.059 0 1 FEAF biogenic O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 95866830 RAYDGCHDHSNKNZ-ICSRJNTNSA-N 368.477 2.155 0 1 FEAF CCOC(Cn1nc(-c2c[nH]c3nccc-3c2)c2c(N)ncnc21)OCC 653849088 PABMYTICQCKZAG-UHFFFAOYSA-N 367.413 2.303 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 586903558 QBXDNBAAMPWPPR-HIFRSBDPSA-N 357.435 2.382 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5C1(OCCO1)[C@H]42 587409826 URWLXFJWWMIFAM-QAXHBJAXSA-N 365.429 2.412 0 1 FEAF Cn1cc(Br)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 587651429 SXBBLSIZHKDLOB-UHFFFAOYSA-N 367.590 2.234 0 1 FEAF CCCCS(=O)(=O)N[C@@H](c1nc2cccc(C(N)=O)c2[nH]1)C(C)C 586932673 IQDBLDVRXVULON-CYBMUJFWSA-N 352.460 2.078 0 1 FEAF CCOC(=O)C[C@]1(c2ccn(C)n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433410 XMOAATVFZOLOGO-YJYMSZOUSA-N 356.378 2.025 0 1 FEAF CCOC(=O)CCOCCCOCCc1nc2cc3cn[nH]c3cc2[nH]1 587569901 SCOIDBBGMGKYNJ-UHFFFAOYSA-N 360.414 2.358 0 1 FEAF CN(C)C(=O)C[C@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962708527 ZJOUPMUSBOBWAS-DOMZBBRYSA-N 362.323 2.137 0 1 FEAF CCOC(=O)c1nn(C)c2c1CCC[C@@]21NCCc2c(C(=O)O)cccc21 963127902 YRNSQDPXMIWWLI-FQEVSTJZSA-N 369.421 2.021 0 1 FEAF CC(=O)c1cc2c(cc1NS(=O)(=O)c1cccc(C(=O)O)c1)OCO2 4217866 JJIWLKCUCLLRQE-UHFFFAOYSA-N 363.347 2.117 0 3 FEAF CCNc1ncc2nc(-c3ccccc3)c(=O)n(C[C@H]3CCCO3)c2n1 4238848 MMOZOKQVYJROPM-CQSZACIVSA-N 351.410 2.464 0 1 FEAF CC[C@H](OC(=O)c1cc2sccc2n1C)C(=O)NC[C@@H]1CCCO1 4388669 XXVXZSSCNCLSFK-FZMZJTMJSA-N 350.440 2.470 0 3 FEAF O=C(O)COc1cc(O)c(C(=O)CCc2ccc3c(c2)OCO3)c(O)c1 6094014 JXBZNGRZCXEUIP-UHFFFAOYSA-N 360.318 2.105 0 1 FEAF COCCNC(=O)[C@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1 61927196 SFXYTRJWOMZEML-GOSISDBHSA-N 354.397 2.278 0 3 FEAF FC(F)(F)Oc1cccc(-n2nnc3ccc(N4CCNCC4)nc32)c1 73293329 XMQNESURDOJRSS-UHFFFAOYSA-N 364.331 2.124 0 1 FEAF O=C1OCC2=C1[C@H](c1cccc(OCCO)c1)c1cc3c(cc1N2)OCO3 40897813 IAFRIFFPKFPAGS-GOSISDBHSA-N 367.357 2.155 0 1 FEAF COc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H](CC(C)(C)O)C[C@H]4[C@@H](C2)N(C)CC[C@]314 40651007 BTDCAZOVYZIULV-VKCNZLKJSA-N 373.493 2.112 0 1 FEAF Cc1cc(=O)oc2c3c(ccc12)OC[C@](CO)(CN1CCCCC1)C3=O 49037565 AZZAETOIWLMYBJ-HXUWFJFHSA-N 357.406 2.141 0 1 FEAF O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CSC[C@H]1Cc1[nH]ncc12 141727493 QIYVMKNRWFYKPJ-QMTHXVAHSA-N 355.872 2.467 0 1 FEAF CCC[C@H](C)NC(=O)[C@H](N)Cc1cccc(I)c1 84373609 NKYDVLOPBZLPSF-GXFFZTMASA-N 360.239 2.466 0 1 FEAF C[C@@](O)(CO)CCC[C@H]1C(=O)CC[C@H]2C[C@@](C)([C@H](O)CO)CC[C@@]21C 238769561 VIGMGLHAYBJMFM-GECNCUIPSA-N 356.503 2.045 0 1 FEAF Cc1noc(C)c1CN1CC2(CCN(C(=O)c3cscn3)CC2)CC1=O 91756430 GXJFPQZLBGGKDP-UHFFFAOYSA-N 374.466 2.403 0 1 FEAF COc1cc([C@H]2Oc3ccc(/C=C\C(=O)O)cc3O[C@@H]2CO)ccc1O 238783947 MDAPOPYYLXOSPU-IUIHMJQYSA-N 358.346 2.372 0 1 FEAF COCc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc(N)n2)c1 95552097 DLFVITASTHEQDC-UHFFFAOYSA-N 353.386 2.118 0 1 FEAF Cc1ccc2occ(CNCCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1 96940558 ZLUZFRQVKXRAPZ-UHFFFAOYSA-N 372.446 2.081 0 1 FEAF CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2ccc(S(C)(=O)=O)cc12 587651238 PELXVORTXDBSOA-UHFFFAOYSA-N 372.402 2.379 0 1 FEAF CC[C@H](c1nc2cncnc2[nH]1)n1cc(I)c(C)n1 587185627 VETSDYNHZQCDEU-SNVBAGLBSA-N 368.182 2.462 0 1 FEAF O=C(O)[C@@](F)(Cc1cnc2c(-c3ccccc3)cccn12)P(=O)(O)O 1772638014 IPNHABAYOCFCFJ-MRXNPFEDSA-N 364.269 2.472 0 1 FEAF COC(=O)c1ccc(-c2cc(C(F)(F)F)nc(S(C)(=O)=O)n2)cc1 1772587912 CTBGCKXPDXMUGQ-UHFFFAOYSA-N 360.313 2.353 0 1 FEAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(C)ccc3nc2-1 5140053 FREMMFBXXMQTKV-NRFANRHFSA-N 362.385 2.388 0 1 FEAF O=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1ccncc1 201713300 DXXSRSNWRYZUAQ-UHFFFAOYSA-N 350.378 2.287 0 1 FEAF O=C1NC(=O)C(CSCc2ccncc2)(CSCc2ccncc2)N1 598897 PGFKRAPIGHYLOW-UHFFFAOYSA-N 374.491 2.221 0 1 FEAF COc1ccc(CN2C[C@@H]3OCC(=O)N(Cc4ccccc4)[C@H]3C2)cc1 2356471112 LAHVRTDCBNPKIM-PMACEKPBSA-N 352.434 2.307 0 1 FEAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCC(C)(C)O 29339575 MRBUKSRULDIERT-UHFFFAOYSA-N 357.882 2.144 0 1 FEAF CN(C)Cc1cc(C[C@H]2CNCC[C@@H]2CC(=O)NC2CCCCC2)no1 2356870994 XWAGKXGMSGLAPM-CVEARBPZSA-N 362.518 2.343 0 1 FEAF CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)no1 71316997 PLMZBCHNROYAMU-ZDUSSCGKSA-N 364.446 2.217 0 1 FEAF CN(C)C(=O)n1nnnc1CNC(=O)CCCCCCc1ccccc1 40835631 LYEHHIBLIAWJJM-UHFFFAOYSA-N 358.446 2.012 0 1 FEAF COC(=O)[C@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 195514290 XGYZDZNXCXHGBV-DSTKQXLTSA-N 366.461 2.481 0 1 FEAF C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OC[C@H]1CCCN1C 82083931 ZFRHSULATFGQNA-VXGBXAGGSA-N 363.439 2.159 0 1 FEAF O=C(O)c1cn(Cc2ccc(-n3cccn3)nc2)c2c(F)cccc2c1=O 45366862 IJPUYBQPNUKIJG-UHFFFAOYSA-N 364.336 2.468 0 1 FEAF CO[C@@H]1CC[C@H](c2ccc([C@@H]3C[C@H](CNC(C)=O)OC3=O)cc2)CCC1=O 253930031 WCRVYIZHQXJKDN-PHXBYCTMSA-N 373.449 2.464 0 1 FEAF C[C@H](NC(=O)NCCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 653834968 MDFQFFUNJMSZCU-AWEZNQCLSA-N 361.467 2.327 0 1 FEAF CCCS(=O)(=O)N1CCC(c2nc3ccc(CCO)cc3[nH]2)CC1 586952292 HVQWYJCDXJPONV-UHFFFAOYSA-N 351.472 2.017 0 1 FEAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(O)nc(O)nc2[nH]1 587042413 JITJEKRNWQIGOX-QMMMGPOBSA-N 363.786 2.073 0 1 FEAF CCOC(=O)[C@@]1(C(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598307 SZSJBVKPFIWTDV-KXBFYZLASA-N 356.330 2.245 0 1 FEAF CCOC(=O)[C@H](C)[C@]1(c2ccco2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962896238 LQSJCZYXPPFMSF-LLJZQGTPSA-N 361.369 2.460 0 1 FEAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H](CN)C3)cc21 5834200 AZGBDENTKYNCPV-LLVKDONJSA-N 361.417 2.379 0 1 FEAF C[C@H](CO)CCc1c(O)cc(O)c2c1OC[C@H](c1ccc(O)cc1O)C2=O 14762888 AHXHRRAHHBWGJJ-IINYFYTJSA-N 374.389 2.429 0 1 FEAF endogenous,in-man O=C(Nc1ccc(F)cc1F)[C@H]1CCCN1S(=O)(=O)c1cccnc1 201448517 NODOWOPRCUJCIJ-OAHLLOKOSA-N 367.377 2.152 0 3 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccnn4C)c(=O)n1c23 1857557096 YVWPDQVKVZMIJC-JTQLQIEISA-N 370.384 2.017 0 1 FEAF Cc1ccc(-c2noc(-c3csc([C@@H]4C[C@H](O)[C@@H](CO)O4)n3)n2)cc1 1857617600 MZJCTHMMMZTECU-MELADBBJSA-N 359.407 2.352 0 1 FEAF COc1cc2c3c(cc(Cl)nc3c1OC)[C@](O)(CC(C)=O)C(=O)N2 1656635 BOJWAVXWRPVRMJ-MRXNPFEDSA-N 350.758 2.024 0 1 FEAF CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)O[C@H]2[C@H]2C(C)=CC[C@@H](OC(C)=O)[C@@]12C 2356329686 KCTHTUFPZVGRQO-CKDDSQOYSA-N 350.411 2.404 0 1 FEAF CS(=O)(=O)N1CCC2(CCN(C(=O)Nc3cccc(F)c3)CC2)CC1 4238197 CHWXTPJRXCEEFR-UHFFFAOYSA-N 369.462 2.495 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@@H](NCc2cccc(F)c2)C[C@H]1O 2356288960 NHEHVGGNMCBRAG-LWYYNNOASA-N 371.456 2.183 0 1 FEAF COC(=O)CC(=O)N1C(=O)c2c(cc3cccc4c3c2C(=O)N4C)C1(C)C 2356388516 IJQOCPUOONIEFG-UHFFFAOYSA-N 366.373 2.210 0 1 FEAF N[C@H]1CN(c2cnc3cncnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F 28707344 GDEFCUJFPIVNBG-OTYXRUKQSA-N 360.343 2.158 0 1 FEAF CNc1ccc(CCC(=O)c2c(O)cc(OCC(=O)O)cc2O)cc1O 27425953 AJDFRBRYVPXVRW-UHFFFAOYSA-N 361.350 2.124 0 1 FEAF CC(C)=C[C@@H]1O[C@@]2(C)C[C@@H]3O[C@@]4(O)[C@@H]2[C@]1(O3)[C@H](C)[C@@H]1CC[C@@H](C)[C@]14O 2356473649 LZBPPKVLRFJPQW-UKZCORSRSA-N 350.455 2.357 0 1 FEAF C[C@]12c3ccc4c(c3CN[C@@H]1c1cc3c(cc1C[C@H]2O)OCO3)OCO4 2356605125 URURFJJXWHZUAJ-MISYRCLQSA-N 353.374 2.163 0 1 FEAF CSCC[C@@H](CO)NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O 2356671026 LIJVTJRSCIZDLA-DOTOQJQBSA-N 364.511 2.287 0 1 FEAF NC(=O)c1ccccc1NC(=O)c1ccc2cc3n(c2c1)CCCNC3=O 73195805 UTARVXNWFXWXPH-UHFFFAOYSA-N 362.389 2.126 0 1 FEAF Cc1ncoc1C(=O)N1CCn2c(COc3cccnc3)cnc2[C@H]1C 96111103 ZPCVNTGEZSRPOR-CYBMUJFWSA-N 353.382 2.371 0 1 FEAF CC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 253638148 OKPZZQOOGVTTIF-UWQYNENASA-N 367.445 2.226 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCCc4cn[nH]c4)ncc23)ccn1 261102355 GQQMQNQOXQXSHF-UHFFFAOYSA-N 362.397 2.416 0 1 FEAF C=CS(=O)(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CCCCC2)no1 618020199 HYMUCDYDVYRZJY-KBPBESRZSA-N 365.455 2.094 0 1 FEAF CCOC(=O)C[C@]1(c2cncn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431962 SAJMOBZWIMIPJY-YJYMSZOUSA-N 356.378 2.025 0 1 FEAF CC(C)(C)OC(=O)NC1(c2nc3ccc(C(N)=O)cc3[nH]2)CCC(O)CC1 587237000 KBQMZDHMNAOSID-UHFFFAOYSA-N 374.441 2.317 0 1 FEAF CCOc1ccccc1[C@@](N)(c1nc2c(O)ncnc2[nH]1)C(F)(F)F 587091868 HAACHQTZDRSOPU-CQSZACIVSA-N 353.304 2.222 0 1 FEAF NC(=O)c1cccc(C[C@H](N)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587260266 PHYRSMRDCPSZIO-JTQLQIEISA-N 360.320 2.226 0 1 FEAF C[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC1=O 13704228 QOJPJAVHKPIYBD-AGCQFFNGSA-N 359.422 2.032 0 1 FEAF C/C(=C1/SC(=N)NC1=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 14963253 AKFVRSQELXTCFW-JYRVWZFOSA-N 363.420 2.123 0 1 FEAF in-vivo COCCCNC(=O)Cn1c(=O)nc(-c2ccccc2)c2ccccc21 8609050 DCVBWQHHMCIHKE-UHFFFAOYSA-N 351.406 2.216 0 1 FEAF Cc1nc(C(=O)[C@@H]2CCCN2C(=O)CNC23CC4CC(CC(C4)C2)C3)no1 28823365 BBAVIQFBBBKSMI-OCABNYQQSA-N 372.469 2.110 0 1 FEAF CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)O)CC(C)C 29479424 YZDALJROFHNCEI-CXAGYDPISA-N 373.453 2.078 0 1 FEAF CC(C)[C@H]1[C@@H](OC(=O)[C@H](C)[C@@H](C)O)C[C@@H](C)[C@@H](O)CC=C2C[C@H]1OC2=O 2356425081 FFZUKRDLFPYGRN-VKKGXVPBSA-N 368.470 2.220 0 1 FEAF CS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2CCCO)c1 63539267 XWHCBQFKEIKORX-UHFFFAOYSA-N 373.434 2.075 0 1 FEAF CC(C)(C(=O)O)[C@@H]1CC[C@@]23OC(=O)[C@@](C)(CC[C@@H]2[C@]1(C)CC(=O)O)[C@H]3O 2356467935 KTIYLKYZGCWKLT-IVZNHOKESA-N 368.426 2.061 0 1 FEAF CC=C1CN2CCc3c4n(c5ccccc35)[C@@](CO)(C(=O)OC)[C@H]1C[C@H]42 2356742527 CQQSJVSJIQKHST-YRISNDGFSA-N 352.434 2.381 0 1 FEAF CC=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@](C)(O)C(=O)O 2356853717 RISIMRWMWMZZPW-DXQFZWEHSA-N 370.486 2.036 0 1 FEAF CCC[C@H]1C[C@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40935720 PWEBRGHKELGZDJ-JSGCOSHPSA-N 352.822 2.437 0 1 FEAF CC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccc(F)cc1 95894472 MYBXLMBDLOWIKT-IPMKNSEASA-N 354.381 2.161 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@H](CO)N[C@H]2CNS(=O)(=O)c2ccccc2)cc1 95895953 GQSHJUMLNLRKMB-GBMSMPDTSA-N 372.490 2.115 0 1 FEAF COC(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2n1 587035707 YNLWOVWGBIJQAU-UHFFFAOYSA-N 356.407 2.225 0 1 FEAF O=C(O)[C@](F)(Cc1c(-c2ccccc2)nc2ccccn12)P(=O)(O)O 1772639777 XJPCDXSGCUVWJG-INIZCTEOSA-N 364.269 2.472 0 1 FEAF O=C(Cn1ncc(N2CCCCC2)cc1=O)N[C@H]1CCc2ccccc21 19794989 VMJPJHZUAAZERM-SFHVURJKSA-N 352.438 2.037 0 1 FEAF NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)C4CCNCC4)c3)c2c1 166936353 LODKAPQZFDSYCG-UHFFFAOYSA-N 363.421 2.267 0 1 FEAF Cc1ccc(-n2c(O)cc(=O)nc2SCC(=O)N2CCCCC2)cc1 101956188 UKUGPLWWCFKHIU-UHFFFAOYSA-N 359.451 2.351 0 3 FEAF CCN(CC)CCCN(C)C(=O)Cn1ncc2c3ccccc3nc-2c1O 103536405 LSSXQHZYBLUGOV-UHFFFAOYSA-N 369.469 2.432 0 1 FEAF CSc1ccc(C(=O)N2CC(=O)N(CC(C)(C)C)C[C@@H](O)C2)cc1 105849222 FIAGSXLDASBQPP-AWEZNQCLSA-N 350.484 2.100 0 1 FEAF c1cncc([C@@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@H]3C2)c1 22862951 QWKFMUSZCHWAPD-OALUTQOASA-N 367.501 2.443 0 3 FEAF COc1cncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)c1 113236198 GIJFIWCYFZUZAA-UHFFFAOYSA-N 367.413 2.199 0 1 FEAF COc1ccc(NC(=S)NCc2nc(Cl)cnc2N)c(OC)c1 71294777 OQZVSWDFZHBRDG-UHFFFAOYSA-N 353.835 2.216 0 1 FEAF OCCN(CCO)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 31872135 KPDWMOLONYWOKN-UHFFFAOYSA-N 369.265 2.458 0 1 FEAF Nc1ccccc1-c1nnc(C(=O)NCc2cccc(-n3cccn3)c2)o1 43009921 DCXRLIMUTHPCQS-UHFFFAOYSA-N 360.377 2.435 0 1 FEAF COCCN1C(=O)CC[C@]1(C)c1nnnn1-c1ccc2ccccc2c1 199242824 IRYCWKCHJXTGPN-LJQANCHMSA-N 351.410 2.300 0 3 FEAF O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)N1CCCCC1 84616818 BEOJBXPGQJHDRQ-UHFFFAOYSA-N 368.462 2.469 0 1 FEAF CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 95903332 DGIMEPVAUFODOA-BQFCYCMXSA-N 364.490 2.007 0 1 FEAF CC(=O)c1ccc(NCC(=O)N2CCN(c3ccc(N)cc3)CC2)cc1 143497443 KYVDSTYQWDSAQB-UHFFFAOYSA-N 352.438 2.232 0 1 FEAF NC(=O)c1cc([C@H](O)CO)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 146577987 XYLBRBNTXPIXCN-QGZVFWFLSA-N 369.352 2.200 0 1 FEAF O=C1C[C@]23CCN(CC4CC4)[C@H]4C[C@@H](O)[C@@H]1C[C@]42Cc1ccc(O)cc13 95562541 LOXFETCCXNYJIL-ORDMVQLLSA-N 353.462 2.401 0 1 FEAF O=S(=O)(Cc1nc2cncnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950384 FRTXJTMAXRJDJK-UHFFFAOYSA-N 372.454 2.285 0 1 FEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(F)cc(C(=O)O)c2[nH]1 587223756 FUAJTTZQLXVIMG-SNVBAGLBSA-N 357.341 2.484 0 1 FEAF Nc1nccc(-c2cn(S(=O)(=O)c3ccc(F)cc3)c3ncccc23)n1 1772652733 NNPRGUUCVGHVEO-UHFFFAOYSA-N 369.381 2.452 0 1 FEAF CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cnccc4o3)n2n1 205073029 NIFVMRGIOHOGKD-UHFFFAOYSA-N 372.406 2.351 0 1 FEAF NS(=O)(=O)c1cccc(-c2ccc3nccc(-c4cn[nH]c4)c3n2)c1 1857638597 PNSMNFDFYHFOTE-UHFFFAOYSA-N 351.391 2.334 0 1 FEAF O=C(NC[C@@H]1OC[C@H](N(CC2CC2)CC2CC2)[C@H]1O)Nc1ccccc1 2356421071 YHPJWUVQIVSXEO-GBESFXJTSA-N 359.470 2.058 0 1 FEAF C[C@H]1CCCCN1CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O 4111177 KJFVHRSELZHMJK-KRWDZBQOSA-N 368.481 2.291 0 3 FEAF CCN(CC)CCNC(=O)Cn1ncc2c3cc(C)ccc3nc-2c1O 103536770 XHISFXOTHDSXHZ-UHFFFAOYSA-N 355.442 2.008 0 1 FEAF COc1c(-c2ccc3c(c2OC)O[C@@H](CO)[C@H]3CO)ccc2c1OCC2 14695345 OEPJKRZARIIETN-HOTGVXAUSA-N 358.390 2.135 0 1 FEAF biogenic C/C=C(\C)C(=O)O[C@H]1[C@]2(C)[C@H](C)[C@H](O)CC[C@@H]2C[C@@]23OC(=O)[C@@H](C)[C@@]12O3 85675966 FYNKIYMILKEXOG-MYDAYLGVSA-N 364.438 2.340 0 1 FEAF in-man CCOC(=O)[C@H](C)Nc1nc(N2CCC(N3CCCC3)CC2)ncc1C 82204086 CFLYTACQGUUAFZ-HNNXBMFYSA-N 361.490 2.213 0 1 FEAF CC(=O)Nc1ccc(-c2csc(NCC(=O)NC[C@H]3CCCO3)n2)cc1 82193704 DWJLTPVQDOMQGQ-OAHLLOKOSA-N 374.466 2.476 0 1 FEAF NC1=N[C@]23CC[C@H](NC(=O)c4cccc(Cl)c4)C[C@]2(COC3)CS1 230533706 XDMHBNONUZHFDP-JQFCIGGWSA-N 365.886 2.439 0 1 FEAF in-vitro CN(C)S(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)o1 586931553 YEIOASNLEAYZHE-UHFFFAOYSA-N 363.395 2.235 0 1 FEAF CN(C)S(=O)(=O)c1ccc(-c2nc3cnc(Br)cc3[nH]2)o1 586931379 BKQIWILHZMKQMA-UHFFFAOYSA-N 371.216 2.231 0 1 FEAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(OCCN(C)C)cc2[nH]1 586962953 VPBDBIZTDFNCOE-SNVBAGLBSA-N 374.470 2.434 0 1 FEAF CC(C)c1nn(C)c2c1[C@]1(CCC[C@H](c3cnc(O)nc3O)C1)NCC2 962913241 BWRKSUAQKPFLLR-HXPMCKFVSA-N 357.458 2.444 0 1 FEAF COc1ccc(C(F)(F)F)cc1NCc1cnc2nc(N)nc(N)c2n1 5854267 BDWNMSMMYMMCBU-UHFFFAOYSA-N 365.319 2.224 0 1 FEAF Cc1cn(C/C=C\COCP(=O)(OC(C)C)OC(C)C)c(=O)[nH]c1=O 13558094 RWEVBKAIEWRDQL-SREVYHEPSA-N 374.374 2.418 0 1 FEAF Nc1[nH]cnc2c(CN3C[C@@H](O)[C@@H](CSCc4ccccc4)C3)cnc1-2 169350015 GOJSQVMCDGVZQI-HZPDHXFCSA-N 369.494 2.218 0 1 FEAF CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)ccc21 1549129 QQIKNNIVHZXNMI-UHFFFAOYSA-N 353.290 2.477 0 1 FEAF CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC(C)(C)O2 2487196 JTPCCONPWAOOAD-WBVHZDCISA-N 364.486 2.416 0 1 FEAF CN1C(C(=O)Nc2ccccn2)=C(O)c2cc(Cl)ccc2S1(=O)=O 28105705 FYEYOXDXOXFVRV-UHFFFAOYSA-N 365.798 2.234 0 1 FEAF CCNC(=O)[C@H]1CCCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 61903715 IFIVAVPJSVECIU-ZDUSSCGKSA-N 364.442 2.091 0 3 FEAF CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cncn2)CC1 27894546 LNEYRNSJUNJBGU-UHFFFAOYSA-N 371.485 2.202 0 1 FEAF CNCc1cn(S(=O)(=O)c2cccnc2)c(-c2cccnc2F)c1F 116578542 YWPLCBMVGOFMDD-UHFFFAOYSA-N 364.377 2.180 0 1 FEAF COc1ccc2c(C)nc(N3CCN([C@H]4CCCC[C@@H]4O)CC3)nc2c1 67674606 BQRMCGYDKHUNGT-OALUTQOASA-N 356.470 2.372 0 1 FEAF Cc1c(Cl)cc(C#N)c2nc(CCc3nc(N4CCCC4)nn3C)nn12 210695608 MWGJAXHWUMEROP-UHFFFAOYSA-N 370.848 2.077 0 1 FEAF C[C@H](NCc1cc(=O)oc2cc(OCc3ccccc3)ccc12)C(N)=O 45290623 UNDHQFQFCPVSTB-ZDUSSCGKSA-N 352.390 2.335 0 1 FEAF C=Cc1c(C)nn(CCCN2CCN(c3cccc(C)c3)CC2)c(=O)c1N 45316250 BOGHIYRIMIGLLQ-UHFFFAOYSA-N 367.497 2.298 0 1 FEAF Nc1ncc(-c2ccc(-c3ccccc3C(=O)NCCO)cc2F)cn1 224767393 FUDGOEFZLIEYII-UHFFFAOYSA-N 352.369 2.254 0 1 FEAF C[C@@]1(O)[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1C(=O)OC[C@@]12CC(=O)c1ccoc1 85690232 MTADPZAIZBIGSZ-GKBWTKQCSA-N 362.422 2.334 0 1 FEAF CC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 95875159 SIXKQJSUWIYCRJ-YESZJQIVSA-N 367.287 2.220 0 1 FEAF O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1cc(F)cc(F)c1 96917681 OGKAIFHYNFCZOE-PBHICJAKSA-N 358.344 2.087 0 1 FEAF C[C@H]1C(=O)[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 238739564 ACMWVFQSRHHUMC-JURWRUKOSA-N 350.455 2.328 0 1 FEAF COc1ccccc1N1CCN(CCOc2ccc3[nH]c(=O)[nH]c3c2)CC1 98084590 XTHUIXNTYMTWQC-UHFFFAOYSA-N 368.437 2.066 0 1 FEAF CC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 253638139 OKPZZQOOGVTTIF-OZPJSICHSA-N 367.445 2.226 0 1 FEAF CNC(=O)[C@H]1Cc2cc(F)c(F)cc2N1C(=O)COc1ccc(F)cc1 473133992 AHKZMQGCTJWNPY-MRXNPFEDSA-N 364.323 2.187 0 1 FEAF COC(=O)C(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804288 DLGUFMYNINISPF-VXJOIVPMSA-N 358.207 2.470 0 1 FEAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(C(N)=O)cc3[nH]2)c1 586931010 ROAVRFBXJPYIKA-UHFFFAOYSA-N 372.450 2.359 0 1 FEAF O=C(O)CCc1cc(O)n(NCc2ccccc2Br)c1O 587939428 CLTXUWJCTFAQEN-UHFFFAOYSA-N 355.188 2.423 0 1 FEAF CC(C)c1nn(C)c2c1[C@@H](c1cccc(S(=O)(=O)N(C)C)c1)NCC2 962914156 RYXYVXUWUQVTQE-GOSISDBHSA-N 362.499 2.029 0 1 FEAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1coc(-c2ccccc2)n1 1857637428 ALXQYVMNPIAHLL-HNNXBMFYSA-N 368.393 2.288 0 1 FEAF C[C@@H](Oc1ccc([S@@](C)=O)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100798083 OEZIOTVGUGZTPR-NOCILHIHSA-N 351.468 2.360 0 1 FEAF [O-][n+]1nc(NCOCc2ccc(C(F)(F)F)cc2)[n+]([O-])c2ccccc21 102891988 MLIVXJUSJNKJDD-UHFFFAOYSA-N 366.299 2.107 0 1 FEAF O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCC[C@H]1c1nnn[nH]1 116296356 ZLRWOMPEFRVEGD-HNNXBMFYSA-N 370.438 2.178 0 1 FEAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCc1ccc(O)cc1 27106969 ZAXCZWIKCYCXEN-KRWDZBQOSA-N 374.481 2.437 0 1 FEAF CC(=O)N1CCOc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21 20488145 LIMJMTVUNQCCHO-UHFFFAOYSA-N 360.435 2.253 0 1 FEAF Cc1nc(NC(=O)NCc2cc3ccc(F)cc3[nH]c2=O)nn1C(C)C 23398067 DJUSSOLCLAASAD-UHFFFAOYSA-N 358.377 2.470 0 1 FEAF CCNC(=O)[C@]1(C)CCCN(Cc2noc(-c3ccccc3OC)n2)C1 61927162 LEOMJFPVJYWLEY-LJQANCHMSA-N 358.442 2.483 0 3 FEAF COc1ccc([C@@H]2OC[C@H]3[C@H](c4ccc(OC)c(O)c4)OC[C@]23O)cc1O 2356456571 JNNJGAAXLBQGKG-XCXWGBRNSA-N 374.389 2.305 0 1 FEAF COc1cc(C[C@@H]2COC(=O)[C@@H]2Cc2cc(O)c(O)c(OC)c2)ccc1O 14646675 FMVYKFXTOXIOFV-ZIAGYGMSSA-N 374.389 2.395 0 1 FEAF biogenic Cc1sc2ncnc(SCC(=O)N3CC(=O)N[C@@H](C)C3)c2c1Cl 1911576956 KJSPRROMXDZTGR-ZETCQYMHSA-N 370.887 2.092 0 1 FEAF CC(=O)OCC1=CC[C@@H](OC(C)=O)[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 238781912 UKBRLNIJFHFROM-STNWUIIHSA-N 350.411 2.405 0 1 FEAF CC(C)=CCC/C(C)=C/C(=O)NCCCNCCCCNCCCN 95580690 IEEZHFPFKCLITF-HTXNQAPBSA-N 352.567 2.494 0 1 FEAF NC(=O)c1sc2nccc(N3CCCN(c4ccccn4)CC3)c2c1N 95605038 ZIGXZSAJUWNDAA-UHFFFAOYSA-N 368.466 2.089 0 1 FEAF C[C@H](NC(=O)[C@@H](N)CO)P(=O)(Oc1ccccc1)Oc1ccccc1 96167886 ROSNBLMXPLOYOW-CJNGLKHVSA-N 364.338 2.119 0 1 FEAF CC(C)C[C@H](C(=O)Nc1nccs1)n1c(=O)[nH]c2ccccc2c1=O 95603477 BQMHATOCVWTFBK-CYBMUJFWSA-N 358.423 2.372 0 1 FEAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1CCC[C@H](O)[C@H]1O 261174330 UMBMDDFTYGIXPG-KBEGMRNHSA-N 367.453 2.316 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2cc(-c3cccc(F)c3)no2)CC1 618017223 HRONPAZVEPADDR-UHFFFAOYSA-N 351.403 2.072 0 1 FEAF CC1=C(CCC2=C[C@H](O)OC2=O)[C@]2(C)CCC[C@]3(C)C(=O)O[C@H](C1=O)[C@H]32 43510317 ODXDQNDOZZLJEE-FTDAXETJSA-N 360.406 2.206 0 1 FEAF biogenic CNC(=O)[C@H]1Cc2cc(F)cc(F)c2N1C(=O)COc1ccc(F)cc1 473135141 FWYVKWMCWGENIL-OAHLLOKOSA-N 364.323 2.187 0 1 FEAF CNC(=O)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587433281 PXTUZUMQMINEMR-FOIQADDNSA-N 353.374 2.309 0 1 FEAF [O-][n+]1ccccc1SCc1nc2ccc(CN3CCOCC3)cc2[nH]1 586969493 TXEHWIKIYAUDOA-UHFFFAOYSA-N 356.451 2.321 0 1 FEAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(C(C)=O)cc3[nH]2)cc1 586947130 UFWFOESJZIBCEU-UHFFFAOYSA-N 357.435 2.459 0 1 FEAF O=C(COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)N1CCCC1 587558485 SHEQPIRTJILLIH-UHFFFAOYSA-N 366.377 2.104 0 1 FEAF CCS(=O)(=O)NCCCc1nc2cc(F)cc(Br)c2[nH]1 586943139 WNYXCTKCOGXZAQ-UHFFFAOYSA-N 364.240 2.336 0 1 FEAF COC(=O)C1=C(C)N=C(N2CCOCC2)N[C@H]1c1ccc(F)cc1Cl 1772643412 UDBNRSMKIAPCHX-HNNXBMFYSA-N 367.808 2.259 0 1 FEAF CNC[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 5852448 UWKZRDHAKLMDEI-LLVKDONJSA-N 359.401 2.219 0 1 FEAF Cn1c(C(=O)N2CCCNCC2)c(Cl)c2[nH]c(=O)c3ccccc3c21 169352948 DZANRVRUOVLTGE-UHFFFAOYSA-N 358.829 2.109 0 1 FEAF O=c1n(CCCCNC[C@@H]2CCc3ccccc3O2)c(O)c2n1CCC2 169725350 UAMOZWUMVFJFDW-INIZCTEOSA-N 357.454 2.065 0 1 FEAF COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCNCC4)cc3)oc12 1857596184 RWTAMBLNQPASHN-UHFFFAOYSA-N 368.389 2.289 0 1 FEAF O=C(Nc1ccc(F)cn1)c1cc(Oc2cncnc2)cn2ncnc12 1857743846 CBMXXEDRQZKTGZ-UHFFFAOYSA-N 351.301 2.098 0 1 FEAF COC1=CC[C@@]23CCN(C)[C@@]24C[C@@H](O[C@]14O)c1ccc(OC)c(OC)c13 2356354736 AKMIHNAUTMLDGR-QRKUABHPSA-N 359.422 2.114 0 1 FEAF C[C@@H](N)CNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1 58590490 RQZWXMOPEGDGAD-CYBMUJFWSA-N 364.453 2.295 0 1 FEAF Cc1cnc(NC(=O)C2=C(O)c3ccc(F)cc3S(=O)(=O)N2C)s1 28019670 OQHSPYVXIMNTSL-UHFFFAOYSA-N 369.399 2.090 0 1 FEAF CO[C@@H]1CC(=O)[C@H]2[C@@H]([C@@H]1O)C1(CC[C@H]2O)Oc2cccc3cccc(c23)O1 2356596321 GBCWVCFIPWNQDZ-NHHXIYCKSA-N 370.401 2.043 0 1 FEAF COc1cc2c(cc1OC)[C@@H]1[C@H](O[C@@H]2OC)[C@@H](OC)C=C2CCN(C)[C@@H]21 2356666014 IFQRJDGCHMHOMX-FSGKZVOOSA-N 361.438 2.490 0 1 FEAF C[C@@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccncc3)c(=O)n21 82211326 ICIBFSOMMFKQFL-GFCCVEGCSA-N 369.450 2.113 0 1 FEAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)Cn3ccc(N)nc3=O)C[C@@H]1O2 40898315 SWWBXYKFLWTTDR-RBOXIYTFSA-N 369.421 2.368 0 1 FEAF N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CC1)Cc1cccc(Cl)c1 43013541 IGLNCVBGTJJFNA-SJORKVTESA-N 363.889 2.117 0 1 FEAF C[C@@H](Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CCCC1 49046122 IZWYGEMCEQMIQA-LBPRGKRZSA-N 370.409 2.180 0 1 FEAF CC1=C[C@@H]2C(=O)c3nccc(I)c3C(=O)[C@@H]2N=C1 1857548468 MWJXHAADDLCVPT-OIBJUYFYSA-N 352.131 2.081 0 1 FEAF CC(C)C[C@H]1NC(=O)[C@H]([S@@](=O)Cc2cccc(C(F)(F)F)c2)C1=O 169693710 OBNRZBKQIUGVRC-XYWAVCLCSA-N 361.385 2.436 0 1 FEAF O=C(NC1CCCC1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 2460796 ISYXPRFAFOEGJI-UHFFFAOYSA-N 369.446 2.472 0 3 FEAF C[n+]1cn([C@H](C(=O)c2ccccc2)c2ccccc2)c2nc(N)nc(O)c21 103292807 AZJHHXGWGOELDI-HNNXBMFYSA-O 360.397 2.016 0 1 FEAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCCO)CC(=O)O1 27308818 OCLUEPVAZDCMEC-CQCRGSGBSA-N 372.527 2.281 0 1 FEAF O=C(NC[C@@H]1OC[C@@H](N(CC2CC2)CC2CC2)[C@@H]1O)Nc1ccccc1 2356421072 YHPJWUVQIVSXEO-QYZOEREBSA-N 359.470 2.058 0 1 FEAF CC(C)NC[C@@H](O)COc1ccc(OCCn2cc(Cl)cn2)cc1 27561421 AWBKRUITZVWEQE-OAHLLOKOSA-N 353.850 2.353 0 1 FEAF O=C1N=C(Nc2ccc3c(c2)OCO3)N/C1=C\c1ccc2c(c1)OCO2 72109309 QKACFWBQLNCAPU-XGICHPGQSA-N 351.318 2.083 0 1 FEAF COc1cc(-n2nncc2-c2ccc3c(c2O)OCO3)cc(OC)c1OC 82150712 UQXJZUJJMUTECV-UHFFFAOYSA-N 371.349 2.394 0 1 FEAF COc1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccccn3)C(=O)O2)cc1 40897079 YYDMEIVVYUPBAW-XIJQHFHMSA-N 369.373 2.009 0 1 FEAF O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CSC[C@@H]1c1cn[nH]c1C2 141727281 QIYVMKNRWFYKPJ-IINYFYTJSA-N 355.872 2.467 0 1 FEAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(N)ncnc2[nH]1 587198040 FFUZVIBXXUKWSV-UHFFFAOYSA-N 359.393 2.461 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(CC=Cn4c1nc(Cl)cc4=O)[C@@H](C2)C3=O 587420190 IYUYOSJPNNDMNT-VOJFVSQTSA-N 356.765 2.423 0 1 FEAF COC(=O)c1ccnc([C@H]2CCCc3cc4c(O)nc(O)nc4nc32)c1 587559362 YBPOSYBVJKJUTM-LLVKDONJSA-N 352.350 2.086 0 1 FEAF CCOc1n[nH]c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1Cl 587065728 XZNVMDOWICWLGO-UHFFFAOYSA-N 369.834 2.255 0 1 FEAF O=[S@](CCNC[C@@H](O)COc1ccccc1)c1ccc(Cl)cc1 169345716 HTMNZNNFZCIVGO-IQMFZBJNSA-N 353.871 2.477 0 1 FEAF CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc2cccnc12 5067239 PPCPYYSYGFFFDW-UHFFFAOYSA-N 361.467 2.304 0 3 FEAF CCn1ccnc1CN(C)C(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12431868 XQDOGFFXFKNBHW-INIZCTEOSA-N 372.444 2.439 0 3 FEAF O=c1ccoc2cc(OCCCN3CCN(c4ncccn4)CC3)ccc12 13860936 MQGHXIGDRFXSHC-UHFFFAOYSA-N 366.421 2.174 0 1 FEAF N#CN1CC[C@@H](NS(=O)(=O)N2CCc3cc(-c4ccccc4)ccc32)C1 1857548437 CQXJRHUVXHVCBE-GOSISDBHSA-N 368.462 2.106 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3[C@@H]3OC[C@@H]1[C@@]23C 2356481633 WLEGVCDLXXAIOU-PYYOQIDCSA-N 362.422 2.261 0 1 FEAF Nc1nc(N)c2nc(CN3c4ccccc4C[C@H]4C=CC=C[C@@H]43)cnc2n1 64373054 FSFDVEWPOBJBGK-DOMZBBRYSA-N 357.421 2.258 0 1 FEAF Cc1ccc2c(n1)N(C)[C@@H](CO)CCN(Cc1cccc3c1OCO3)C2 2356538275 YTAAZHQHBIWRGM-QGZVFWFLSA-N 355.438 2.322 0 1 FEAF CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CCSC)n1cccc1 2356738313 FECBSQSLDSSNQV-ZWKOTPCHSA-N 371.506 2.482 0 1 FEAF COCC(=O)NC[C@@H]1C[C@H]2CCN1C[C@H]2c1cc(C2CCCC2)nc(C)n1 2356856527 SARQLZVJHSQCOR-FGTMMUONSA-N 372.513 2.383 0 1 FEAF CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@@H](C)[C@H]4C[C@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C 85814783 WKNPIBKVHHVICI-HQICVPFOSA-N 360.406 2.029 0 1 FEAF in-man CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 95894515 JXCIZYZKUTYCFB-IPMKNSEASA-N 371.481 2.470 0 1 FEAF CNC(=O)/C=C1/COc2cc(OS(=O)(=O)c3cccc(F)c3)ccc21 95585611 AUFKYCBIOQDOHP-XFFZJAGNSA-N 363.366 2.115 0 1 FEAF CO[C@H]1CC[C@H](n2c(=O)c(-c3cc[nH]n3)cc3c(C)nc(N)nc32)CC1 261173011 UDXSDTPXGCELRI-HAQNSBGRSA-N 354.414 2.202 0 1 FEAF CCCC[C@@]1(O)CC(=O)c2c(Cc3cc(O)cc(=O)o3)cc(O)cc2O1 38208754 MTRIRUSFZKHRLT-IBGZPJMESA-N 360.362 2.486 0 1 FEAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1cccc(C)n1)O2 587408022 KMNLJRIZEFVZEC-GOSISDBHSA-N 360.435 2.186 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)OC)cc2[nH]1 587231339 NMJYAOWYTMZAOK-ZIAGYGMSSA-N 359.426 2.386 0 1 FEAF CN1C=C[C@@]2(C(C(N)=O)=C1)c1ccsc1CCN2Cc1cccn1C 962377399 WOSVXJALDYUBHI-IBGZPJMESA-N 354.479 2.169 0 1 FEAF CC[C@H](NC(=O)Nc1cc2[nH]nc(OC)c2c(CO)n1)c1ccccn1 1772652739 NRTABQZQKVSDEY-JTQLQIEISA-N 356.386 2.127 0 1 FEAF CC(C)c1cc(=NCCO)[nH]nc1C(=O)NC12CC3CC(CC(C3)C1)C2 1857638101 MTRVRUYLXCMTJZ-UHFFFAOYSA-N 358.486 2.125 0 1 FEAF CNCCCn1cc(-c2ccc(Cl)c(NC(=O)c3coc(=N)[nH]3)c2)cn1 1857587421 BLGAGQFRRMNZPQ-UHFFFAOYSA-N 374.832 2.466 0 1 FEAF O=C(Nc1nncs1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4034632 NGRGJBMARGRWOI-XCCSTKFXSA-N 366.402 2.102 0 1 FEAF CCCN1C(=O)c2cc(C(=O)NCc3ccc(OC)cc3)ccc2[C@@H]1O 4940072 XBUSIDVZYYVIIO-IBGZPJMESA-N 354.406 2.482 0 3 FEAF aggregator COc1cccc(CNC[C@@]2(COc3ccccc3)C[C@H](O)[C@H](O)C2)c1 2356298628 PPWMXSMPOOVBQL-AERCQKQUSA-N 357.450 2.366 0 1 FEAF CCC1(O)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 27417545 YMHNRNRIMLOABS-UHFFFAOYSA-N 364.348 2.274 0 1 FEAF O=C1[C@H]2C[C@@H](CN2C(=O)c2ccno2)Oc2ccccc2N1CC1CC1 2356742758 YZRFPKTYSHRGPD-DZGCQCFKSA-N 353.378 2.093 0 1 FEAF COc1ccc(C)cc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1 95591272 GTUSXXHBEGOBNO-UHFFFAOYSA-N 350.400 2.263 0 1 FEAF O=c1cc(N2CCC(O)CC2)nc(NCc2cccc3ccccc23)[nH]1 95553256 IOQSVODHVMJTDZ-UHFFFAOYSA-N 350.422 2.496 0 1 FEAF O=C1C=CC[C@H](/C=C/C[C@H]2C[C@H](O)[C@H](O)[C@@H](/C=C/c3ccccc3)O2)O1 238768929 ITOWMYXEGADZIR-XTDNVFOLSA-N 356.418 2.397 0 1 FEAF biogenic,in-vitro CC1=C(c2ccc3nc([C@@H](O)c4cccc(O)c4)[nH]c3c2)NNC(=O)C1 586887966 AQHPOZJUBOZUBU-SFHVURJKSA-N 350.378 2.106 0 1 FEAF COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1cccc(C)n1)[C@@H](C2)C3=O 587448010 GZFHZJIQAGUYLK-IFXJQAMLSA-N 373.430 2.086 0 1 FEAF Cc1c(Br)cc2nc(CCOCCOCCN)[nH]c2c1C 587245912 GZCLSNJICHXBDL-UHFFFAOYSA-N 356.264 2.477 0 1 FEAF CN(C)C(=O)[C@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963192015 XUFYGBCGYQLTFX-YMTOWFKASA-N 364.751 2.261 0 1 FEAF CCCCCc1c(CC)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn12 13758462 INLXSRAYHBRJDD-UHFFFAOYSA-N 360.410 2.366 0 1 FEAF Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1 118536281 ZLGGEHMGVUVIHP-UHFFFAOYSA-N 364.409 2.035 0 1 FEAF CC(C)C[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1COCC1=O 26147832 KRNDNQGPEAXVIV-QZTJIDSGSA-N 368.433 2.068 0 1 FEAF COc1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccccn3)C(=O)O2)cc1 40897076 YYDMEIVVYUPBAW-XMUSRXTASA-N 369.373 2.009 0 1 FEAF CCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205958 BTDJMPAZFJSAOR-VXGBXAGGSA-N 358.398 2.175 0 1 FEAF CC[C@@]1(O)C[C@H]2[C@H]3C(C(=O)OC)=C4Nc5ccccc5[C@@]45CCN([C@H]31)[C@H]25 473170904 SLUFFIKFMLYKDM-LVMDVHNBSA-N 352.434 2.024 0 1 FEAF Oc1nc(S)nc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 587085323 STMRYPZNLVPZQV-UHFFFAOYSA-N 363.834 2.175 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 586888625 WYBKOVZYQXLMTF-AGIUHOORSA-N 359.451 2.452 0 1 FEAF Cc1cc2c(cc1O)[C@@](c1ccccn1)(C1CCOCC1)N[C@H](C(=O)O)C2 963505952 DAMSGHCCEZCMPL-LAUBAEHRSA-N 368.433 2.365 0 1 FEAF CC[C@H](C)CNC(=O)CN1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 201445579 ROQHFQVWTRWGRC-YOEHRIQHSA-N 357.454 2.190 0 3 FEAF O=C(O)CCc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCNC3)cc1 26578596 SRKXLVMNUOFNDF-UHFFFAOYSA-N 372.446 2.024 0 1 FEAF COc1ccc(CN2CC[C@@]2(C)C(=O)NCCNC(C)=O)c2ccccc12 61905618 CYNXIJGRYACMFB-NRFANRHFSA-N 369.465 2.065 0 3 FEAF CC=C1CN(C)C[C@]2(C(=O)OC)[C@H]1CC(=O)c1[nH]c3ccccc3c1[C@H]2O 2356694848 KYZVNPNCPMAADF-ZKYUUJBMSA-N 368.433 2.455 0 1 FEAF CC(C)[C@]1(O)C=C[C@@](C)(O)CC=C[C@@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 2356695654 PZFBVODTZGEVTO-GSEOLPGOSA-N 350.455 2.414 0 1 FEAF CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)N1CCCC1 28702075 IUWAKJWGDLUTGI-INIZCTEOSA-N 372.425 2.421 0 1 FEAF O=C1[C@@H]2CCCN2C(=O)N1CCCCNC[C@H]1CCc2ccccc2O1 73198268 IFSDSWUCBOYCCT-SJORKVTESA-N 357.454 2.177 0 1 FEAF c1nc(NC2CCCCC2)c2cc(OCCN3CCOCC3)ncc2n1 40395643 PJHUTKRXKQILPQ-UHFFFAOYSA-N 357.458 2.480 0 1 FEAF Cc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)o1 82165800 WFDCTWTYVCFLLF-LBPRGKRZSA-N 353.382 2.402 0 1 FEAF CCO[C@@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@@]1(C)O 143048927 KJUPSCHIFMZADG-ZBFHGGJFSA-N 370.837 2.062 0 1 FEAF CCSc1ccccc1C(=O)N(C)C[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1 618013982 GOSHFYQLAPWQME-LXZKKBNFSA-N 361.511 2.475 0 1 FEAF CN1[C@H]2C[C@H](O)[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588182 PJACZMRDANBQKS-RXRWWAKYSA-N 367.401 2.320 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(c4ccccc4)N(C)[C@H]1C)[C@@H](C2)C3=O 587436937 VQIHRCOREWJGIO-LBJGKRIESA-N 364.401 2.464 0 1 FEAF O=S(=O)(Cc1nc2ncc[nH]c-2n1)Nc1ccc(N2CCCCC2)cc1 586950355 DVXYOYAHTNMZBH-UHFFFAOYSA-N 372.454 2.237 0 1 FEAF CNS(=O)(=O)c1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587451439 YAYIYWYVKKHKHO-DNVCBOLYSA-N 373.430 2.266 0 1 FEAF CO[C@@]12CC[C@]3(CO1)[C@@H]1CCC[C@H](OC(C)=O)[C@H]1C[C@H]1OC(=O)[C@@]2(C)[C@H]13 685935647 HXIZZPINGVXRRQ-RSQOKADCSA-N 364.438 2.439 0 1 FEAF biogenic,in-vitro COC(=O)Cn1nc(C)c2c(NCCCN(C)C)c3ccccc3nc21 169325353 OEKGXXPOKSLSCV-UHFFFAOYSA-N 355.442 2.430 0 1 FEAF C[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC1=O 102578528 QOJPJAVHKPIYBD-DGCBXJPOSA-N 359.422 2.032 0 1 FEAF CC[C@H](C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl)S(C)(=O)=O 26499214 ZWDGGSGOTCJLRP-SECBINFHSA-N 369.222 2.463 0 1 FEAF CC(=O)Nc1ccc2c(c1)nc1n2[C@H](CNC(=O)c2ccccc2)COC1 2356662238 IJXVZVAXGZOHIW-MRXNPFEDSA-N 364.405 2.496 0 1 FEAF C[C@H]1C[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 29237639 VHCBVNYAJHXYLS-MMMFKJAFSA-N 369.461 2.162 0 1 FEAF COc1ccccc1-c1sc(N)nc1-c1ccc(P(=O)(O)O)o1 66103548 VTKAIXYQYKVFTF-UHFFFAOYSA-N 352.308 2.464 0 1 FEAF CNS(=O)(=O)c1ccc2cccc(CCNC(=O)c3ccco3)c2c1 40862566 ZMQJWTSYMGTHFB-UHFFFAOYSA-N 358.419 2.313 0 1 FEAF COc1ccc(CNc2nc(N3CCC(C(N)=O)CC3)ncc2C)cc1 82203696 QJHFRMVKXJYUIR-UHFFFAOYSA-N 355.442 2.107 0 1 FEAF CO[C@H]1CN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)C[C@@H]1O 221130518 FLUMBXITSVWBKA-IRXDYDNUSA-N 369.425 2.003 0 1 FEAF COc1cc2c(cc1OC)[C@@]1(O)Cc3ccc4c(c3[C@H]1N(C)CC2)OCO4 238748599 GLILRKXQDOLYQE-RTWAWAEBSA-N 369.417 2.405 0 1 FEAF Nc1nc(=NCCc2ccccc2)nc(N)c2c1ncn2Cc1ccccc1 653848641 BDNLARJTPYFXBX-UHFFFAOYSA-N 371.448 2.182 0 1 FEAF COC(=O)[C@@H]1C[C@]2(CCN1)N[C@H](C)Cc1cc(Br)c(F)cc12 587789976 FAXRYXYBCJYEMV-OELKAKTESA-N 371.250 2.243 0 1 FEAF O=C(NCc1nc2c(F)cnc(Br)c2[nH]1)c1cscn1 587028827 ZKHZFBZXOGDXFJ-UHFFFAOYSA-N 356.180 2.246 0 1 FEAF CCOC(=O)[C@@H]1COC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617515 PYXFWTYPLGYRID-RISOHXOYSA-N 370.357 2.302 0 1 FEAF O=C(N[C@@H]1CSC[C@@]12NCCc1nc3ccccn3c12)c1ccccc1 962981966 ITAFQNNAUPJZCV-OXQOHEQNSA-N 364.474 2.221 0 1 FEAF CCOC(=O)CC[C@H](NC(=O)N[C@H](C)c1ccccc1)C(=O)OCC 5922481 HXLPDUGQOKOPOS-HIFRSBDPSA-N 350.415 2.322 0 1 FEAF COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NCCO 12480013 QMTWXUIOWTYMMW-DZGCQCFKSA-N 370.405 2.298 0 3 FEAF Cc1nn(C)c2nc3ccccc3c(NCCCN3CCN(C)CC3)c12 169330177 LKCJOXKQVYOHPO-UHFFFAOYSA-N 352.486 2.479 0 1 FEAF COc1ccc2c3c1O[C@@H]1C(=O)CC[C@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@@]314 169367589 ZBAQMFALLMLPSC-CIQXWFTPSA-N 369.461 2.219 0 1 FEAF COc1ccc([C@@H]2[C@@H](C(=O)N3CCCC3)CC(=O)N2C(=O)C2CC2)cc1 209982338 QFVYXEMADROWDP-FUHWJXTLSA-N 356.422 2.144 0 3 FEAF NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(Cl)cc2)cc1 581585 LQPFLKVMDLZLBB-UHFFFAOYSA-N 350.783 2.398 0 1 FEAF COc1cc(O)c2c(c1)[C@]13CCN4CC[C@@H](C[C@H]1N2C(C)=O)C1=CCO[C@]143 2356423394 XORSOONLULVOCT-LFAYTRTRSA-N 368.433 2.156 0 1 FEAF COCCNC(=O)[C@]1(C)CCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 61904975 WEXWZWMBWVUMCE-MRXNPFEDSA-N 373.375 2.024 0 3 FEAF O=C1c2ccccc2CCN1CCCCN1CCN(c2ncccn2)CC1 40916733 ZLCMXGBHHVUFEP-UHFFFAOYSA-N 365.481 2.077 0 1 FEAF C[C@@H]1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O 96935358 ARUWGSPXMHTGRX-XKYCOENUSA-N 352.471 2.043 0 1 FEAF O=C(O)c1ccc(CCCNS(=O)(=O)c2ccsc2C(=O)O)cc1 98207994 RHIBLGJRPQSXPL-UHFFFAOYSA-N 369.420 2.056 0 1 FEAF in-vitro CC[C@]1(C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2NC1=O 96258742 PNKQJHSWMZYLJY-SFHVURJKSA-N 373.434 2.338 0 1 FEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Cl)ccnc2[nH]1 586959946 UEKILXCTMKTQDE-CQSZACIVSA-N 352.803 2.080 0 1 FEAF COC(=O)c1ccc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2c1OC 587249884 PIEUIBIRVNTZCU-UHFFFAOYSA-N 355.350 2.234 0 1 FEAF COC(=O)[C@@H]1COC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587836655 XAQVITBTRRAQGE-CYBUAMNDSA-N 358.207 2.137 0 1 FEAF Nc1nccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 586955750 VJAVNVZRQLYTMB-UHFFFAOYSA-N 363.830 2.255 0 1 FEAF Cc1cnc2[nH]c(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)nc2c1 587204431 YOKQAIHXVLFTOD-CQSZACIVSA-N 354.366 2.188 0 1 FEAF Cn1ncc(N)c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660572 HDCZSXRPPTWDIV-UHFFFAOYSA-N 363.352 2.207 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C)c2cc(N(C)C)ccc21 587401069 SHHSNPWPCGUQBD-HXUWFJFHSA-N 351.406 2.480 0 1 FEAF CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@@H](CC)N2 169719743 WYHPLEBRFOHMGR-JYMLRBTQSA-N 371.485 2.495 0 1 FEAF CS(=O)(=O)NC(=O)c1csc(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1857568793 FATMSOIMDJGWNI-UHFFFAOYSA-N 366.251 2.305 0 1 FEAF Cc1sc([C@H]2CCCN2C(=O)CN)cc1C(=O)Nc1nccs1 1857649590 PMKULEMGWXKBRQ-LLVKDONJSA-N 350.469 2.388 0 1 FEAF O=S(=O)(c1ccc(F)cc1)N1CCOC[C@@H](OCc2ccccc2)C1 2356297935 DFAYRZQAYJKUIA-KRWDZBQOSA-N 365.426 2.432 0 1 FEAF C[C@H]1CCC[C@@H](C)N1CCNC(=O)CN1C[C@@H](c2ccccc2)CC1=O 27759919 IKRQMPWOBJEDBW-SCTDSRPQSA-N 357.498 2.382 0 1 FEAF CC(C)=C[C@@H]1O[C@@]2(C)C[C@@H]3O[C@@]4(O)[C@@H]2[C@]1(O3)[C@H](C)[C@@H]1CC[C@H](C)[C@]14O 2356473647 LZBPPKVLRFJPQW-JHJRYGCQSA-N 350.455 2.357 0 1 FEAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2=O)cc1N 96928903 WDCIDPWPMDVKNK-UHFFFAOYSA-N 369.373 2.233 0 1 FEAF CC(=O)N1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@@H]2C1 33630572 JACYZXVKXJBZLG-INIZCTEOSA-N 355.419 2.040 0 1 FEAF biogenic Cc1cccc(CN(CC(=O)O)Cc2ccc(C(=O)O)c(C(=O)O)c2)c1 473088983 PQUSOEPGOOJLBC-UHFFFAOYSA-N 357.362 2.478 0 1 FEAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c[nH]c(=N)[nH]c-2n1 587113125 OIQFAMYMOQUUCT-OAHLLOKOSA-N 364.331 2.135 0 1 FEAF CN(Cc1nc2cc3cn[nH]c3cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169671 HCDYZJRSHNWFMR-UHFFFAOYSA-N 359.386 2.399 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CN2CCN(C)CC2)N1 587764289 DBWUZMVAFANAHS-ZBEGNZNMSA-N 356.283 2.411 0 1 FEAF CCOC(=O)[C@@]1(C(F)(F)F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963232497 OAUIGVDEVSOLJA-CJNGLKHVSA-N 368.311 2.154 0 1 FEAF COc1ccc(OCc2cc(C(=O)N3CCOCC3)no2)c(Cl)c1 12432490 JRNQEMPVEXSTJW-UHFFFAOYSA-N 352.774 2.388 0 3 FEAF O=c1c2ncn([C@H]3C=C[C@@H](CO)C3)c2nc2[nH]c(-c3cccs3)cn12 101882699 QLBZQIQALCPIGV-MNOVXSKESA-N 353.407 2.210 0 1 FEAF CCC[C@H](O)CN1CC(C)(C)CN(C(=O)CCc2ccccc2)CC1=O 105847964 AUVXOONVUOAFRN-SFHVURJKSA-N 360.498 2.477 0 1 FEAF O=C1[C@H]2C[C@@H](CN2C2COC2)Oc2ccccc2N1Cc1ccccc1 2356300819 YGIFGTJQIBYAPF-PKOBYXMFSA-N 350.418 2.454 0 1 FEAF COc1cccc(OC)c1OC(=O)[C@H]1CNCCN1Cc1ccccc1 26150895 BUYBGWAJJXCVEG-MRXNPFEDSA-N 356.422 2.083 0 1 FEAF Cc1c2c(cc3c1[C@H](c1ccoc1)OC3=O)[C@H]1COC(=O)C1=C[C@H](O)C2 2356477179 XYDSFEQOFYTNPI-ONUMYQOESA-N 352.342 2.332 0 1 FEAF S=C(NCc1ccco1)NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCCC1 2356528023 RXUYUMJIJXCVCX-BRWVUGGUSA-N 362.543 2.050 0 1 FEAF CC1=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2C(OC(=O)[C@](C)(O)[C@@H](C)O)=C1 2356535472 AONXWGJPUIDGFP-OFOOFNNBSA-N 364.438 2.409 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@]2(O)C1 2356618491 VYDPZFPZVFZUFI-PECNESASSA-N 364.438 2.387 0 1 FEAF CCc1ccc(Cc2cccc([C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1 35814014 QFTZJLCYYMSCKG-TWGBQZSLSA-N 356.462 2.018 0 1 FEAF COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@@H](NC=O)CC2 13434586 FMZOHNLGBVZQAC-AWEZNQCLSA-N 371.389 2.179 0 1 FEAF biogenic CCc1nc(C(=O)N2CCC[C@@H]2C(=O)OCCCCN(C)C)cs1 82073519 UTJOLZJHJQAGMV-CQSZACIVSA-N 353.488 2.195 0 1 FEAF COc1ccc(C[C@H]2CCc3cnnn3COC[C@H](C(C)C)NC2=O)cc1 95898358 GXBDVNURWIBSDR-VQIMIIECSA-N 372.469 2.207 0 1 FEAF O=C(CCC[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1)NCc1cc(Cl)ccn1 618015634 XTOVRHRNJSCJGB-OAGGEKHMSA-N 364.877 2.126 0 1 FEAF CC(C)N(C)C(=O)n1cnc(S(=O)(=O)C2C3CC4CC(C3)CC2C4)n1 473086415 BXLGNUUYTLEYGU-UHFFFAOYSA-N 366.487 2.185 0 1 FEAF O=c1c2cncnc2ncn1Cc1nc(CCc2ccc(Cl)cc2)no1 653737756 SZOFJGFPAKXGKY-UHFFFAOYSA-N 368.784 2.056 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 586918831 RZCNZZUSXOMEHT-AWEZNQCLSA-N 359.407 2.326 0 1 FEAF Cc1cccc(NC(=O)C[C@@]2(C)N[C@H](C(=O)O)Cc3c2nn(C)c3C)c1C 962705815 FGLGHOQLJKAHKM-OXJNMPFZSA-N 370.453 2.188 0 1 FEAF Cc1cc(C)n2nc(CC(=O)N3c4nc5ccccc5n4C[C@H]3C)nc2n1 1857550262 FWIWLYXORKTJJN-CYBMUJFWSA-N 361.409 2.069 0 1 FEAF O=C1COC2(CCN(C[C@@H](O)c3ccccc3)CC2)[C@@H](c2ccccc2)N1 27982792 POAMEVTUHXXPLS-TZIWHRDSSA-N 366.461 2.442 0 1 FEAF C[C@H](CCc1ccc2c(c1)OCO2)NC[C@H](O)c1ccc(O)c(C(=O)O)c1 26998176 BQQSUMYMDNUMIW-PXAZEXFGSA-N 373.405 2.463 0 1 FEAF C[C@H](Oc1ccc([S@@](C)=O)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 38929930 OEZIOTVGUGZTPR-BISCPERRSA-N 351.468 2.360 0 1 FEAF COc1cc([C@H]2CNC(=O)N2c2ccn3ccnc3c2)cc2c1OCO2 198380379 CPNWYBFTZVRZOZ-CYBMUJFWSA-N 352.350 2.343 0 1 FEAF O=C(CCCCCCc1ccccc1)OC[C@@H](O)COP(=O)(O)O 1911577465 FHIPDDUXLDLUQY-OAHLLOKOSA-N 360.343 2.193 0 1 FEAF CCc1ccc(-c2ncc3c(n2)N(C)CCN(CCN(C)C)C3=O)cc1 299850238 SJQAWLZPOLDXDS-UHFFFAOYSA-N 353.470 2.160 0 1 FEAF O=c1c2nccnc2ncn1Cc1nc(CCc2ccc(Cl)cc2)no1 653722464 NAOMZGKLBJKTAT-UHFFFAOYSA-N 368.784 2.056 0 1 FEAF CN[C@@H](c1cccnc1)c1nc2cc(I)cnc2[nH]1 587220994 FAPRXWVWIHBTKK-NSHDSACASA-N 365.178 2.266 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(C)n1 587868504 NJXGWUQQQRVUCI-UHFFFAOYSA-N 351.288 2.395 0 1 FEAF CNS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)n(C)c1 586947600 VMSGXUMGAVTZJV-UHFFFAOYSA-N 358.345 2.495 0 1 FEAF COc1cc(CC(=O)O)ccc1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963033229 QJECHWOYNDZDRB-ASSNKEHSSA-N 366.417 2.465 0 1 FEAF NC(=O)c1c(F)ccc(OCC(=O)OCCOc2ccccc2)c1F 1772580416 FXZOKKHSAWDPGB-UHFFFAOYSA-N 351.305 2.065 0 1 FEAF CC(C)(C)OC(=O)NCCn1cc(C(=O)c2ccc(O)cc2O)ccc1=O 169699086 LYJPPDQLKAFENG-UHFFFAOYSA-N 374.393 2.015 0 1 FEAF O=C(O)CNC(=O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O 26508119 XYCYXMMLIYAVMW-QZTJIDSGSA-N 369.417 2.380 0 1 FEAF CC(C)N1CCN(C(=O)c2cccc3c(CN4CCOCC4)c[nH]c23)CC1 64528202 IVNCNRBMLXEETI-UHFFFAOYSA-N 370.497 2.166 0 1 FEAF CC(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356606209 HLJKCLMZEHNAQC-HAGHYFMRSA-N 355.482 2.290 0 1 FEAF CCOC(=O)c1c(N(C(C)=O)C(C)=O)c2c(C)cc(C)nc2n(CC)c1=O 26377951 TUQWRBSBGUBHEY-UHFFFAOYSA-N 373.409 2.109 0 1 FEAF C[C@H](S[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O 73224672 JVZOJVSKVSEJNC-AEGPPILISA-N 365.451 2.270 0 1 FEAF C[C@@H]1[C@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@H](C(O)O)[C@H](C)[C@@H]1C 261515184 DCVIOAHIQDCAHO-KTJOEBBESA-N 364.438 2.257 0 1 FEAF in-man Cc1cc(N)c2c(c1)C(=O)C[C@]1(CS(=O)(=O)N(C)c3ccccc31)O2 587410492 NTEPOLCDIUZSKG-GOSISDBHSA-N 358.419 2.218 0 1 FEAF CN1CCN(c2cc(C(=O)O)c3nc(-c4ccc(O)cc4)[nH]c3c2)CC1 1772612658 ATCNLRHCNWZBEI-UHFFFAOYSA-N 352.394 2.386 0 1 FEAF NC(=O)N1CCCc2c1ncc(-c1cncc(C3(O)CCOCC3)c1)c2F 1772627235 VWMNCVXXHKWBOH-UHFFFAOYSA-N 372.400 2.112 0 1 FEAF O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1C[C@H]1CCCO1 15072143 HFURPYIFYXOKKC-FUHWJXTLSA-N 350.434 2.354 0 1 FEAF CN1CC[C@@]23C(=O)C[C@H]4C(=CCOC5=CC(=O)N(c6ccccc62)[C@@H]3[C@H]54)C1 2356430209 PKPARRIYUZPZFV-ZTVIYSTHSA-N 362.429 2.034 0 1 FEAF COc1ccc(OC)c([C@H]2CCc3cnc4nc(N)nc(N)c4c3C2)c1 1661566 KSDUJWSZZMWRBN-JTQLQIEISA-N 351.410 2.479 0 1 FEAF O=C1CC[C@@H]2[C@@H](O)c3cc4c(cc3[C@H](c3ccc5c(c3)OCO5)N12)OCO4 1856973 JOCDYUMUWHCJQD-CWVNLOTRSA-N 367.357 2.271 0 1 FEAF O=C([C@@H]1CSCN1C(=O)CCCc1ccccc1)N1CCSC1 3794562 DFGMSTJIQPZDCK-HNNXBMFYSA-N 350.509 2.444 0 1 FEAF CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2[C@H]1O)OCO4)OCO3 59066848 PDFKSGBOVFZOGL-HXUWFJFHSA-N 369.373 2.048 0 1 FEAF in-vitro COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2[C@H]1O 26383678 BNRLKFFGYHKKQM-KUHUBIRLSA-N 359.422 2.414 0 1 FEAF CC=C1CCN2CC[C@@]34c5ccccc5N(C)[C@@]35OC[C@@]4(C(=O)OC)[C@H]1[C@@H]25 2356607189 CYFATKZTJDBVGJ-BJKUESEOSA-N 366.461 2.314 0 1 FEAF CN(C)CC(=O)Nc1ccc(Cc2ccc(NC(=O)CN(C)C)cc2)cc1 66097718 KYOHBNFHZBCUDV-UHFFFAOYSA-N 368.481 2.278 0 1 FEAF Cc1cc(NCCO)nc(-c2ccc(I)cc2)n1 73295865 VNTUDANQYJITCD-UHFFFAOYSA-N 355.179 2.461 0 1 FEAF COc1cccc(C2=N[C@@](C)(CC(=O)NCc3cccc(O)c3)ON2C)c1 74373490 PPADIPIQLXCCQY-HXUWFJFHSA-N 369.421 2.447 0 3 FEAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C[C@H]1O[C@@H]1CCCC(=O)O 40165447 CBOBGOJUDRNUHE-LSEWEOOOSA-N 368.470 2.462 0 1 FEAF endogenous,in-man CCCCOC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1csc(CC)n1 82073525 GAOPTQSHPCXNOA-ZDUSSCGKSA-N 368.455 2.197 0 1 FEAF CNC[C@@H]1Oc2ncc(C3=CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95734614 CJMPJSHSWXOPJR-KHYOSLBOSA-N 373.497 2.479 0 1 FEAF NC(=O)c1cnn2cc(-c3cncc(F)c3)cc2c1NC1CCOCC1 261175835 UVNSYSNXKVIMAN-UHFFFAOYSA-N 355.373 2.225 0 1 FEAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587142157 LLWYWNNVYOXOSE-UHFFFAOYSA-N 371.296 2.338 0 1 FEAF CCOC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2c1 586931223 ODEZPZDWEXHKGA-UHFFFAOYSA-N 363.395 2.250 0 1 FEAF Nc1ncccc1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587254334 RLYVDIGVMMTZTE-UHFFFAOYSA-N 356.329 2.424 0 1 FEAF Cc1c(O)ccc2c1[C@]1(CCOCC[C@H]1C(F)(F)F)N[C@H](C(=O)O)C2 963548414 FPYVRBMSKDPMRM-NORZTCDRSA-N 359.344 2.484 0 1 FEAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@@H](C)O2 14966277 BIRFZNWWCAWOJS-LLVKDONJSA-N 371.441 2.021 0 1 FEAF OCc1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)o1 15674622 MWHCLOOYHWDKGC-PBHICJAKSA-N 355.394 2.054 0 1 FEAF biogenic CNc1ccccc1C(=O)O[C@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@]1(OCCCN12)[C@@H]35 169290838 DEVSVQLQYSWGQG-JAPNCQIUSA-N 364.445 2.401 0 1 FEAF CS(=O)(=O)Cc1cc([C@]23CCOC[C@H]2C3)nc(-c2cccc(O)c2)n1 1857617065 UDQJQGMNDZPETH-ACJLOTCBSA-N 360.435 2.072 0 1 FEAF CC1CCN(CCNC(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 3906332 LCGCTEVIXODMCQ-GOSISDBHSA-N 359.470 2.266 0 3 FEAF CCOC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(OC)cc4[C@@]2(CCN3C)CC1=O 101379769 WUGZFHIGKDHJFG-LAVAIGHBSA-N 357.450 2.352 0 1 FEAF CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@@H]2CC[C@@H]1C2 102828950 SGJNLUHSLLRODE-BZPMIXESSA-N 366.487 2.469 0 1 FEAF CC=C(C)[C@H](O)[C@H](C)C=C[C@H](O)[C@H](C)[C@@H](O)C[C@H]1CC(OC)=CC(=O)O1 2356693148 ZSCSHJBZNPXUQJ-DJRCMAJPSA-N 368.470 2.100 0 1 FEAF Cn1c(=O)c(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)c(O)c2ccccc21 3846561 CBWWYTYIYBRHDK-ZDUSSCGKSA-N 363.373 2.412 0 1 FEAF biogenic Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@@H](N)C3)n2)n1 217823495 WJXBLZWJWGLQLR-OAHLLOKOSA-N 372.436 2.118 0 1 FEAF CN(C(=O)COc1ccc(Cl)nn1)C1CCN(C[C@H]2CC2(F)F)CC1 1911580819 IQVHMRPINAMBJU-LLVKDONJSA-N 374.819 2.087 0 1 FEAF CN1CCc2cc3c(cc2[C@@H]1[C@@H]1O[C@@H](O)c2cc4c(cc21)OCO4)OCO3 14930673 AERCZABCWOQOSG-VAMGGRTRSA-N 369.373 2.435 0 1 FEAF biogenic O=C1N[C@@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1 299846484 SHQZCNOHIRPOJD-AMJWSMQMSA-N 354.815 2.139 0 1 FEAF COc1cc2c3c(c1)O[C@@](c1nccn1C)(C1CCOCC1)[C@@H](C2)C3=O 587430625 JXTACAISWDINMP-YWZLYKJASA-N 354.406 2.498 0 1 FEAF COC(=O)[C@@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587803377 ACFGRSZEQSAFKM-AYVTZFPOSA-N 358.207 2.470 0 1 FEAF NCCOCCOCCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587245646 BUUSXOBNUCHTAP-UHFFFAOYSA-N 353.422 2.328 0 1 FEAF O=C1NC(=O)[C@@H](Cc2coc3ccc(Br)cc3c2=O)S1 169327862 GHYDBQYEBFYRLN-SNVBAGLBSA-N 354.181 2.450 0 1 FEAF Cc1ccsc1S(=O)(=O)N[C@H]1CCCc2nc(N(C)C)ncc21 12591331 MJMHCRQNZUGNOJ-ZDUSSCGKSA-N 352.485 2.268 0 1 FEAF CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2O)ncc1Cl 169705061 JPNYRSWOEYBQPP-UHFFFAOYSA-N 363.805 2.093 0 1 FEAF O=C(O)C[C@H](c1ccc(F)cc1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1857632584 VVWDUEXBSBSGEF-CQSZACIVSA-N 357.293 2.336 0 1 FEAF O=C(NC[C@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccccc1 775390 HLZKOOGDVDEKTR-ZDUSSCGKSA-N 356.353 2.231 0 1 FEAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(C[C@@H](C)O)no1 3590197 SFQLHXHCSGVAAY-CQSZACIVSA-N 371.441 2.417 0 1 FEAF COc1cc2c(cc1O)[C@H]1O[C@H](O)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 100772909 DPRSKEMBOBQDJV-NSHGMRRFSA-N 371.389 2.421 0 1 FEAF endogenous,in-man CNc1cc(N2CCCNCC2)ccc1S(=O)(=O)c1ccc(F)cc1 26673123 UEDJZAWDDUJLFY-UHFFFAOYSA-N 363.458 2.500 0 1 FEAF COC(=O)N1C[C@@H](C(N)=O)[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 26156903 WCPSCCFXTKQZTC-LSDHHAIUSA-N 362.426 2.284 0 1 FEAF COC(=O)[C@@]12C[C@@H]3C[C@H]([C@@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 101009783 VGDQBNXQAOYMPS-NJOOZQMPSA-N 354.450 2.226 0 1 FEAF COCCN1C(=O)[C@H]2C[C@@H](CN2Cc2cccnc2)Oc2ccccc21 2356298876 HNOYFFSNVJBSOZ-FUHWJXTLSA-N 353.422 2.097 0 1 FEAF CCOC(=O)c1cnc2n(c1=O)[C@@H](C)CC[C@@H]2C(=O)Nc1ccccc1 29307959 SYOBKUNZHAEHLT-JSGCOSHPSA-N 355.394 2.497 0 1 FEAF O=C(O[C@@H]1CCN2C[C@H]3C[C@@H](C(=O)N4CCCC[C@H]34)[C@H]2C1)c1cc[nH]c1 2356744613 UWHDHUKDMHBCOD-DUQPFJRNSA-N 357.454 2.035 0 1 FEAF O=C(c1cc2n(n1)CCCC2)N1CCN(CCc2ccc(F)cc2F)CC1 73294839 QPAMQUMOGYCOTO-UHFFFAOYSA-N 374.435 2.498 0 1 FEAF COCc1cn(CC(=O)c2sc(NC(=O)C(C)(C)C)nc2C)nn1 199204935 DWWSOVGKBYKPFR-UHFFFAOYSA-N 351.432 2.057 0 3 FEAF COc1cc(C)c(S(=O)(=O)NCc2c(C)nn(C)c2C)c(C)c1C 82157314 CTBXHFIQWUZMLK-UHFFFAOYSA-N 351.472 2.449 0 1 FEAF COc1cc2c(c3c(=O)cc(C(=O)O)[nH]c13)-c1ccccc1S2(=O)=O 149033637 HNBYDWSIAFNKNP-UHFFFAOYSA-N 357.343 2.048 0 1 FEAF COc1ccc(C2=NCCN2c2ccc(S(N)(=O)=O)cc2)cc1Cl 299829271 LDRGHKIKWGOFGI-UHFFFAOYSA-N 365.842 2.263 0 1 FEAF COc1ccc([C@]2(COCC(=O)O)NCCc3c2c(C(C)C)nn3C)cc1 962915335 HLZPPWILQFQMKQ-FQEVSTJZSA-N 373.453 2.043 0 1 FEAF Cc1cc2c(cc1O)[C@@](C)(c1ccc3c(c1)OCCO3)N[C@H](C(=O)O)C2 963506006 DJYIHSXQQPGBEU-MGPUTAFESA-N 355.390 2.334 0 1 FEAF O=S1(=O)[C@H](F)CCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 148485899 RVQVMQYSHGPVLW-ACJLOTCBSA-N 362.426 2.487 0 1 FEAF Cc1ccn(CCNC(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1 12051433 RKKOGKSHLXAOCV-INIZCTEOSA-N 374.872 2.400 0 3 FEAF O[C@@H]1c2cc(F)ccc2C[C@H]1N1CCN(c2cccc3c2OCCO3)CC1 13471823 MHYOWNRPTRBEPO-UYAOXDASSA-N 370.424 2.377 0 1 FEAF C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CC(=O)NC2=O)cc1 13642978 YOWFAJOGDAREKF-JTQLQIEISA-N 353.382 2.086 0 1 FEAF Cc1nn([C@@H](C)C(=O)NCCN(C)C)c(=O)c2c1sc1ccccc12 6799078 JRGHXMAGFSQWNA-LBPRGKRZSA-N 358.467 2.158 0 1 FEAF C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27728380 MHKAOBQJPBYYJQ-CWTRNNRKSA-N 353.422 2.227 0 1 FEAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3cccc(F)c3)C[C@@H](O)[C@H]2CO)n1 2356289145 QPJSGGISRHAMEB-VNTMZGSJSA-N 373.472 2.429 0 1 FEAF C[C@@]1(C(=O)NCc2ccc3c(c2)OCO3)CCN1C(=O)Cc1cccs1 61925976 CYUAMLUKKQEWAQ-IBGZPJMESA-N 372.446 2.327 0 3 FEAF C[C@@H](SCCCCO)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 29254343 UILMCRVJOQWADF-MLGOLLRUSA-N 357.426 2.338 0 1 FEAF COc1cc2c(c3c1OCO3)-c1ccc(O)c(=O)cc1[C@H](NC(C)=O)CC2 2356445026 RQBJMBIJPXQVMP-CQSZACIVSA-N 369.373 2.280 0 1 FEAF CS(=O)(=O)c1ccc(N2C[C@H](COc3nccs3)OC2=O)cc1F 27420565 YXKHBWSBALYJFF-SNVBAGLBSA-N 372.399 2.090 0 1 FEAF COc1ccc(CCC(=O)O)c2c1[C@@H]([C@@H](O)C(C)(C)O)OC(C)(C)O2 2356609443 APMMATLSOWXISW-JKSUJKDBSA-N 354.399 2.030 0 1 FEAF COc1cc2cc(CO)c(CO)c(C3=CCN(C)C(=O)C3)c2cc1OC 26648792 JJKKCCHGXWRARF-UHFFFAOYSA-N 357.406 2.087 0 1 FEAF COc1ccc2nc(CO[C@@H]3CN(C(=O)c4cccnc4)C[C@@H]3F)[nH]c2c1 2356743636 RUFJARDCTCHALG-WMLDXEAASA-N 370.384 2.346 0 1 FEAF CC(C)C(=O)C(=O)N[C@H](C(=O)NCCc1c[nH]c2ccccc12)C(C)C 2356810721 BAXFDZQTUXFNCV-KRWDZBQOSA-N 357.454 2.193 0 1 FEAF COc1cccc2c1N(C=O)[C@@H]1CC[C@]34CCCN5CC[C@]21[C@@]53OC(=O)C4 14959208 OHVLQOJUEDASJF-MBPVOVBZSA-N 368.433 2.201 0 1 FEAF biogenic CN1C[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1=O 218967250 SFXKIJRUYJVHCF-QKAVXHIFSA-N 356.466 2.311 0 1 FEAF CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@]12CN(N=O)CCC2=O 49072746 IDDVCBDDELSDJR-RTBURBONSA-N 356.426 2.236 0 1 FEAF CC1(C)OC(=O)C(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)=C1N 587253486 JMIXXEBMBUBVHL-UHFFFAOYSA-N 366.171 2.029 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1ccc(O[C@H](C)C(N)=O)cc1)[C@@H](C2)C3=O 587427627 FASCVDDJHMONRQ-RSXSOOJNSA-N 353.374 2.437 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C=C(C)N(CCCC(=O)O)C(=O)C1)[C@@H](C2)C3=O 587437524 JHIAAMRHEMHUEL-VBKZILBWSA-N 371.389 2.182 0 1 FEAF Cc1c(Br)cc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2c1C 587970513 IYPKXCYVFZISGM-UWVGGRQHSA-N 353.172 2.441 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H](N)C3)c(Cl)c21 13649608 FMQHVYXATGUMFB-QMMMGPOBSA-N 353.781 2.050 0 1 FEAF CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1CCCc1ccccc1 14951852 UUZJQDOGNYCTBE-UHOSZYNNSA-N 359.514 2.488 0 1 FEAF C[C@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 169692553 WTJYDBMHYPQFNJ-NNATZUCCSA-N 368.470 2.222 0 1 FEAF CCOc1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccn3)ncc12 209316912 LRUIHFKWZZFPGG-CQSZACIVSA-N 356.386 2.261 0 1 FEAF C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2cnccn2)C1=O 1857541384 PFSGEFYLEHABKV-QGZVFWFLSA-N 366.465 2.306 0 1 FEAF O=C(c1cc(S(=O)(=O)N2CCCCC2)c[nH]1)N1CCc2ccccc2C1 9441381 ARBXKVHEGKEWOV-UHFFFAOYSA-N 373.478 2.388 0 1 FEAF COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](N)c1cc(=O)c(OC)ccc12 27712017 OHYIBXYNGHWVCH-FNHZYXHNSA-N 359.422 2.177 0 1 FEAF COC(=O)C1=C(C)NC(=O)N[C@H]1c1cnc(SC)n1Cc1ccccc1 103170712 SLVSOEZJEXIAQF-HNNXBMFYSA-N 372.450 2.454 0 1 FEAF CNC(=O)c1cc(C(=O)NCCC(C)C)cn(Cc2ccccc2)c1=O 1911576946 JEQGAHKBIFRHMQ-UHFFFAOYSA-N 355.438 2.032 0 1 FEAF Cc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)n1 136755808 CHWNCWDZWSQLTG-UHFFFAOYSA-N 353.470 2.117 0 1 FEAF CCCCOCCOC(=O)CNC(=O)c1coc(-c2cccs2)n1 82084968 BKXRVSLNOMNYDQ-UHFFFAOYSA-N 352.412 2.493 0 1 FEAF CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)s1 195444077 RNSAKRHYCKLORM-RFHZTLPTSA-N 374.466 2.187 0 1 FEAF CC(C)n1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82206016 DPBBPAXPRXZVGN-VXGBXAGGSA-N 358.398 2.345 0 1 FEAF COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@H]43 148633679 ZTHVHELPCLGXHF-NIGJYOAWSA-N 364.445 2.101 0 1 FEAF in-vitro NS(=O)(=O)c1ccc(-n2nc(-c3ccc4c(c3)CCC4)ccc2=O)cc1 653699577 ASVFSKMFGSPSTP-UHFFFAOYSA-N 367.430 2.036 0 1 FEAF Oc1cc(O)nc(SCc2nc3ccnc(Br)c3[nH]2)n1 586966279 DLNAFABLMBOAKE-UHFFFAOYSA-N 354.189 2.214 0 1 FEAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3C(=O)NC)nc2c1 587235633 PFCZAGGWYMTKHM-IUCAKERBSA-N 366.215 2.352 0 1 FEAF COc1ccc2c(c1OC)[C@]1(CC[C@H]3[C@@H](C(=O)O)NC[C@@H]3C1)N(C)[C@@H](C)C2 962575107 VOMPILDJXDPJGK-LPKGDXMFSA-N 374.481 2.248 0 1 FEAF Cc1nnsc1C(=O)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 12128941 GBQWUEWDRHWMFN-LBPRGKRZSA-N 353.407 2.037 0 1 FEAF COc1ccc(S(=O)(=O)n2nc(OCc3cccs3)cc2N)cc1 13687393 JGNAIXWLJTWOTO-UHFFFAOYSA-N 365.436 2.351 0 3 FEAF Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(CC(=O)O)c2n1 13781713 KIOLKAOBNXSWMM-UHFFFAOYSA-N 365.176 2.432 0 1 FEAF O=C1C[C@@]23CCN(CC4CC4)[C@@H]4C[C@@H](O)[C@@H]1C[C@@]42Cc1ccc(O)cc13 169291930 LOXFETCCXNYJIL-GMOZNSKDSA-N 353.462 2.401 0 1 FEAF COCCCN1C[C@@H]2C(CNC(=O)c3cccn4cc(C(C)C)nc34)[C@H]2C1 1857647829 VRFDUPUIVSYUKE-QZTJIDSGSA-N 370.497 2.402 0 1 FEAF COCCN1CCN(C(=O)C[C@@H]2C[C@@H](C(C)C)[C@@H](CO)C=C2C)CC1 2356311331 HFYNVMFMXANLJT-OTWHNJEPSA-N 352.519 2.014 0 1 FEAF C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(N)=O)cc4)cc3c21 28902184 NDMYAICTRHCZJH-JTQLQIEISA-N 362.389 2.366 0 1 FEAF COc1cc([C@H]2Oc3ccc(C=CC(=O)O)cc3O[C@H]2CO)ccc1O 2356489167 MDAPOPYYLXOSPU-PKOBYXMFSA-N 358.346 2.372 0 1 FEAF CO[C@H]1O[C@@H](OC)C2=C[C@H](OC(C)=O)[C@H]3C(C)(C)CCC[C@@]3(C)[C@@]21O 2356503732 QWSNLCYZUAVRFO-MUTRFQPFSA-N 354.443 2.397 0 1 FEAF CN(C)C1(c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)CCCC1 28643707 XOXCGQGZROKGSE-UHFFFAOYSA-N 374.416 2.288 0 1 FEAF O=C(NC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O)C1CC1 2356747392 PIQYSXXCIWLFLF-LNLFQRSKSA-N 374.412 2.458 0 1 FEAF C[C@]1(O)C[C@@]23CC(=O)[C@H]4[C@@]56CCC[C@@]4(C)CN(CCO)[C@H]5[C@H]2C[C@H]1C[C@@H]36 2356776238 VECNWVPULQDULP-VVPKRRMRSA-N 359.510 2.226 0 1 FEAF CC(C)(O)C(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 139790916 BUFXEKBTDLJIFK-UHFFFAOYSA-N 359.401 2.088 0 1 FEAF CC(=O)NCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccco2)n1 82142180 MPZRZZKRSBFGOL-UHFFFAOYSA-N 359.430 2.013 0 1 FEAF CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1COc2ccccc2O1 84669468 FLVIWEMSLONIOJ-LPHOPBHVSA-N 367.401 2.343 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(N)=O)CC2)N1 587768243 MAJGQOYXTYHPJZ-VIFPVBQESA-N 356.239 2.492 0 1 FEAF COc1cc2c3c(c1)O[C@@H](CCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587438445 PDPDHXVDFKLGBY-CVEARBPZSA-N 363.369 2.498 0 1 FEAF CCOC(=O)[C@@]1(c2cnn(C)c2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962633257 KADAFBGHVHIZBR-RNODOKPDSA-N 373.453 2.120 0 1 FEAF O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)CCCC2 13833980 PNXQUTZZXAYUOU-UETGSQEOSA-N 374.412 2.490 0 1 FEAF CC(C)N1CCN(C(=O)C2CC3(CCN(C4CCOCC4)CC3)C2)CC1 103243047 LKVKSLVRHQVHAX-UHFFFAOYSA-N 363.546 2.210 0 1 FEAF C[C@@H]1CC[C@@H]2C(=O)NC[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 8585519 CBJAXLVQLSPOSC-KAOXEZKKSA-N 353.260 2.081 0 1 FEAF CC(C)[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](N3CCCC3)C(=O)N21 26958792 REGWEEZJIMKJBJ-QXAKKESOSA-N 366.465 2.170 0 1 FEAF CC=C1CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2C[C@@H]1C3=Nc2ccccc21 2356537182 JHLJAPBBYYUJNY-PWDZPPDVSA-N 352.434 2.431 0 1 FEAF CC(C)(C)CC(=O)N1CCN2[C@@H](CN(Cc3ccccc3)C[C@@]2(C)CO)C1 2356656719 XGDIPCZDUAVTBJ-UGKGYDQZSA-N 373.541 2.202 0 1 FEAF C[C@H](O)[C@@H]1C[C@H](O)[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C 2356668067 CCDBNJFEAVSCGU-UOAWDQSRSA-N 350.499 2.249 0 1 FEAF CN(CCc1ccccc1)CC[C@@H]1CC[C@@H](O)[C@H](C(=O)N2CCCC2)O1 2356819339 FBMDCRHSXJKUKO-XUVXKRRUSA-N 360.498 2.082 0 1 FEAF CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 36288988 RYIVUUNQOYFPOH-UHFFFAOYSA-N 350.422 2.164 0 1 FEAF Cc1cc2c(c(-c3cnccn3)c1)O[C@@H](CNC(=O)[C@@H]1CCCN(C)C1)C2 39353714 ULOLRRVXTRJZTG-NVXWUHKLSA-N 366.465 2.214 0 1 FEAF O=C(O[C@H]1CCN2C[C@@H]3C[C@@H](C(=O)N4CCCC[C@H]34)[C@@H]2C1)c1ccc[nH]1 238735983 DDQYUQPEQYHDHG-DTJSUFBGSA-N 357.454 2.035 0 1 FEAF C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@]1(CCO[C@H]1O)O2 238776479 PZPXCEHEWWBOLN-HEGHMXGHSA-N 354.487 2.219 0 1 FEAF COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@H]43 257620475 XGYZDZNXCXHGBV-NKRQLCBBSA-N 366.461 2.481 0 1 FEAF Cc1cccc(C)c1C=c1nc(O)c(=Cc2nc[nH]c2C(C)(C)C)nc1O 299816604 IOHSHJAJHJXFJI-UHFFFAOYSA-N 364.449 2.183 0 1 FEAF O=C(O)c1ccc(S(=O)(=O)NNc2ccc(Br)cc2)cc1 299840477 XHKFTHFLUUCVDW-UHFFFAOYSA-N 371.212 2.453 0 1 FEAF Nc1nc(O)c2nc(COc3ccc(Cl)cc3Br)[nH]c2n1 586976148 LEPBKSLGWDVWJP-UHFFFAOYSA-N 370.594 2.636 0 1 FEAF CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587389936 MWSJTQSQUCNQNG-UXHICEINSA-N 374.437 2.280 0 1 FEAF CCOC(=O)C(Cl)(Cl)[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962924578 UATGRKALLVRITH-SMDDNHRTSA-N 364.200 2.377 0 1 FEAF O=C(O)[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 11847374 DKIDUEFGXKKXNI-OJKRMQCYSA-N 354.399 2.316 0 1 FEAF O=S(=O)(c1ccc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3O2)cc1)N1CCCC1 169730042 QIZIREOPFQLFIO-KBPBESRZSA-N 374.418 2.355 0 1 FEAF O=C1C[C@](CO)(Cc2ccccc2)C(O)[C@@](CO)(Cc2ccccc2)C1 606093 LQEFGOXOQQVKIE-VXKWHMMOSA-N 354.446 2.153 0 1 FEAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCCCN1CCCC1 2467839 VBICNPAELHVRMC-HXUWFJFHSA-N 359.470 2.428 0 1 FEAF CCN(CCNC(=O)C[C@H]1Oc2ccccc2NC1=O)c1ccccc1 4911286 LEHHILLDEUSEJA-GOSISDBHSA-N 353.422 2.419 0 3 FEAF aggregator O=C(O)C1CC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)C1 58590649 MEWLTRGECZFZDU-UHFFFAOYSA-N 364.449 2.224 0 1 FEAF COC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1 115885502 CJMZQVRZKALNOE-GJZGRUSLSA-N 355.394 2.005 0 1 FEAF CCc1nc(CNC(=O)c2ccc([C@H](C)N3CCCCC3)o2)cc(=O)[nH]1 63835509 RIZMJSJSNRXYFZ-ZDUSSCGKSA-N 358.442 2.402 0 1 FEAF CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)N1CCCC1 28702073 IUWAKJWGDLUTGI-MRXNPFEDSA-N 372.425 2.421 0 1 FEAF Cc1sc2ncnc(SCC(=O)N3CCN(C)C(=O)C3)c2c1Cl 1911585732 MNXXHPTXSUFTFO-UHFFFAOYSA-N 370.887 2.046 0 1 FEAF CCc1c(F)c(N2CC[C@@H](N)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 40503666 LKNVLXARJIDGMB-SNVBAGLBSA-N 359.401 2.274 0 1 FEAF CC[C@@H]1CCCCN1CCCNC(=O)c1c(O)n2cccc(C)c2nc1=O 84460337 NABPNJJYGXSDSV-OAHLLOKOSA-N 372.469 2.093 0 3 FEAF CC(C)[C@@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1 95594632 HFEVNTGRPXCJIM-CYBMUJFWSA-N 356.434 2.370 0 1 FEAF C[C@@H](O)[C@@H](C(=O)O)N(C)CC(=O)OCC1c2ccccc2-c2ccccc21 95535267 CTEQWKPPYZKGSC-XCLFUZPHSA-N 369.417 2.108 0 1 FEAF O=C(CCC[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1)NCc1cc(Cl)ccn1 618015637 XTOVRHRNJSCJGB-XHSDSOJGSA-N 364.877 2.126 0 1 FEAF COc1cc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2cn1 586941052 NJRPGESTJDYTJB-FPLPWBNLSA-N 358.423 2.365 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(O)nn1 587867506 GTYXQTUTMWMCPF-UHFFFAOYSA-N 365.271 2.157 0 1 FEAF CCOc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1F 587368249 LODTZZJKPHTXSB-UHFFFAOYSA-N 359.313 2.268 0 1 FEAF NC(=O)c1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 53811046 YEBOXYRVWBUMHY-UHFFFAOYSA-N 350.422 2.266 0 1 FEAF NC1=C2C(=O)N(CCc3ccc(O)cc3)C(=O)C[C@H]2c2ccccc2O1 206391976 CIYRPSZYLNZSRZ-HNNXBMFYSA-N 350.374 2.040 0 3 FEAF C[C@@H]1CCCCN1CCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21 5034446 OZPCBSFWSAVEKU-CQSZACIVSA-N 368.437 2.133 0 1 FEAF C[C@@H](O)Cn1c(=O)n(C)c(=O)c2cn(Cc3cccc4ccccc34)cc21 13603308 KHMWDJWYHHFKPL-CQSZACIVSA-N 363.417 2.084 0 1 FEAF COc1ccc(C)cc1NC(=O)Cn1c(=O)cc(C)c2c(C)nn(C)c21 8603850 YAAHHYYLJCKHOI-UHFFFAOYSA-N 354.410 2.308 0 1 FEAF COc1ccc(CCNC[C@H](O)COC(=O)c2cccc(C)c2)cc1OC 25974275 IWXWOEASCMPJLS-SFHVURJKSA-N 373.449 2.362 0 1 FEAF CCCN1CCN(C(=O)Cn2ncc3c4cc(C)ccc4nc-3c2O)CC1 101789695 RKVHZTMAINADCT-UHFFFAOYSA-N 367.453 2.104 0 1 FEAF O[C@@H]1[C@H](NCC2CCCCC2)[C@H]2CO[C@@H](O2)[C@@H]1n1cnc2ccccc21 2356296348 LSDONWDSZCOZBK-WAPOTWQKSA-N 357.454 2.232 0 1 FEAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCCN2CCSC[C@@H]12 28757091 FPMCRWQXDKRLJF-KBPBESRZSA-N 355.891 2.240 0 1 FEAF COc1ccc([C@]2(C3CCCC3)N=C(N)N(C3CCOCC3)C2=O)cc1 218701509 JKOAQYRBPUOGCN-FQEVSTJZSA-N 357.454 2.417 0 1 FEAF O=C(NCCN1CCOCC1)[C@@H]1C[C@H](CCC2CCCCC2)CCN1 1911582888 GYFWCYSTDPUGOQ-MOPGFXCFSA-N 351.535 2.164 0 1 FEAF COc1cc(OC)cc([C@@H]2C3=C(CNC3=O)Nc3cc4c(cc32)OCO4)c1 42877976 XCRKSPBKKOOBEO-SFHVURJKSA-N 366.373 2.374 0 1 FEAF COc1cc(S(=O)(=O)c2ccccc2CO)cc2c3c(oc12)CCNC3 147593125 ILGIDIPRNDJOCE-UHFFFAOYSA-N 373.430 2.412 0 1 FEAF CC(=O)OC/C=C(\C)C[C@@H](O)/C=C(\C)[C@H](O)C/C=C(\C)COC(C)=O 238776449 SSUOGNQKOGHQIV-KQMRSSBFSA-N 354.443 2.454 0 1 FEAF CC(C)c1nc(CN(C)C(=O)CCS(=O)(=O)c2ccccc2)no1 91382064 BHZDFPZSCWEXHV-UHFFFAOYSA-N 351.428 2.015 0 1 FEAF Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1 96175507 DNIONESFABVQQY-UHFFFAOYSA-N 374.408 2.374 0 1 FEAF NC(=S)NC[C@H]1CN(c2ccc([C@H]3CCCCC3=O)c(F)c2)C(=O)O1 653780742 CSFZVDVXBOTWBV-WCQYABFASA-N 365.430 2.211 0 1 FEAF COc1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2n1 586928562 FOMFAURQBRMZLY-UHFFFAOYSA-N 366.830 2.441 0 1 FEAF O=C(O)[C@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586889750 MSXMQFZSIBKZOL-JGVFFNPUSA-N 358.194 2.079 0 1 FEAF Nc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cn1 587112586 AWQDYNYBXCLZFF-UHFFFAOYSA-N 360.303 2.261 0 1 FEAF Cc1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1C 586941039 CDHNZXLZCHRPCU-UHFFFAOYSA-N 373.434 2.429 0 1 FEAF O=S(=O)(NCCc1nc2ccnc(Cl)c2[nH]1)c1ccc(Cl)nc1 586941776 BMCJWMFVLLNJGF-UHFFFAOYSA-N 372.237 2.181 0 1 FEAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(N)c(N)cc3[nH]2)cc1 586941035 NBJAWDQOGYRSPX-SREVYHEPSA-N 357.439 2.126 0 1 FEAF CCOC(=O)[C@H]1Cc2ccccc2[C@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962897579 MUTWWIMUJGEKML-KUDFPVQQSA-N 369.392 2.404 0 1 FEAF CC(C)(NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccccc1 13489405 NJWXFBCPKMPBSC-UHFFFAOYSA-N 353.426 2.144 0 1 FEAF CN1C(=O)[C@H]2[C@@H]3O[C@@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O 13675718 QMSLDDDUADQJHZ-MKXGPGLRSA-N 363.369 2.021 0 1 FEAF O=C(O)CCNC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1 13803646 HKTAPIXCZLVGFS-UHFFFAOYSA-N 367.409 2.138 0 1 FEAF CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1 13832983 DKTASLMCKRHWAK-UHFFFAOYSA-N 363.364 2.065 0 1 FEAF CC[C@H](C(=O)O)N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1 204783780 FAOKYLWYCBQYDT-MRXNPFEDSA-N 364.423 2.144 0 1 FEAF O=C1C=CC[C@@H](/C=C\C[C@@H](O)C[C@@H](O)C[C@H](O)CCc2ccccc2)O1 205917092 YZNUQTVBWSAEBN-KTDMYRMVSA-N 360.450 2.300 0 1 FEAF COCCOc1n[nH]c2cc(NC(=O)NCCc3ccccc3)ncc12 209374328 MOLGGBYWMHVETD-UHFFFAOYSA-N 355.398 2.347 0 1 FEAF O=C(NCCCCNC(=S)SC1CCNCC1)NC1CCCC1 1857540431 CSPCHEVVRXHVOK-UHFFFAOYSA-N 358.577 2.368 0 1 FEAF CC1=CCC[C@]2(C)O[C@@H]3C[C@@H](C)[C@](C)(CC1)[C@]14CO[C@](O)([C@H]2O)[C@]31O4 253685143 HXNQQVVTMAHKGR-HWOCUPQKSA-N 350.455 2.298 0 1 FEAF CCn1cc(C(=O)NC[C@H]2CCCO2)c2c3ccccc3n(C)c2c1=O 2466299 JDRSWEVLDMUVTA-CYBMUJFWSA-N 353.422 2.422 0 1 FEAF N[C@@H]1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2Cl)C1 6524294 ZNYYQZSGLBWMDX-SECBINFHSA-N 365.792 2.205 0 1 FEAF O=C(c1ccc2c(c1)OCO2)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 29058607 RSYXOEGZMLAXBI-UHFFFAOYSA-N 368.736 2.129 0 1 FEAF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCC[C@H]1C(=O)O)C(C)(C)C2 58500350 AGCHFZFWDDUIJY-KBXCAEBGSA-N 360.454 2.298 0 1 FEAF CCCCCN[C@@]12C=CC(=O)[C@@H]3Oc4c(O)ccc5c4[C@]31CCN(C)[C@H]2C5 22851781 NRPCWSUJMWEFOK-GUGJDKNPSA-N 368.477 2.309 0 1 FEAF biogenic CC1=C2[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O 100784025 MTYSOJAHTIASFA-RUKBAGLDSA-N 364.438 2.135 0 1 FEAF endogenous,in-man CC=C1CN2CC[C@@]34c5ccccc5N[C@@]23CC[C@H]1[C@]4(CO)C(=O)OC 2356739091 ZUOSKQRUXOLOBC-IDCXYZFESA-N 354.450 2.274 0 1 FEAF CCNc1cc(OC)c(C(=O)N[C@@H]2CN(C)CCN(CC)C2)cc1Cl 27703607 ZXIGYXVBZYGZFG-CYBMUJFWSA-N 368.909 2.146 0 1 FEAF COc1cc(C(=O)[C@@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 14435790 RWAKIPFJHIOZAN-LRDNONRASA-N 374.389 2.294 0 1 FEAF biogenic CCCCOc1nc(N)c2nc(O)n(Cc3cccc(C(=O)OC)c3)c2n1 38495484 WQFPLTWVIRMNJX-UHFFFAOYSA-N 371.397 2.128 0 1 FEAF Cc1cc(=O)n(CCCOc2cccc(Cl)c2)c(N2CCNCC2)n1 45245071 GMGYWVPKULYZDR-UHFFFAOYSA-N 362.861 2.084 0 1 FEAF CC(C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1CSC2=O 84687770 BBHDAPLLPNCXFU-UHFFFAOYSA-N 363.826 2.411 0 1 FEAF Cc1cc(S(=O)(=O)c2cncnc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175194 WGGZUNOMTGMQMT-BLLLJJGKSA-N 368.462 2.459 0 1 FEAF NC1=N[C@@]2(CO1)c1cc(-c3cncnc3)ccc1OCC21CC(F)(F)C1 149268585 IBQLKXDWVJSRDU-SFHVURJKSA-N 358.348 2.492 0 1 FEAF COc1ccc2c(c1)oc(=O)n2C(=O)c1cc(OC)c(OC)c(OC)c1 96926920 NBQXCCPYUICTRA-UHFFFAOYSA-N 359.334 2.317 0 1 FEAF COCCNC(=O)Nc1cc2[nH]nc(-c3cc(C)nc(OC)c3)c2cn1 261179288 VQQVNOPAAPBDHW-UHFFFAOYSA-N 356.386 2.105 0 1 FEAF N[C@@H](Cc1ccc(NC(=O)Nc2ccccc2)cc1CCC(=O)O)C(=O)O 299830549 XFFVAGOUFAZPGQ-INIZCTEOSA-N 371.393 2.302 0 1 FEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cncc(Br)c2[nH]1 587256280 DGPNSRYBYZIBCJ-SECBINFHSA-N 355.236 2.322 0 1 FEAF COC(=O)c1ccnc2[nH]c([C@]3(N)CCc4cc(OC)ccc4C3)nc12 587247585 UFLKPJFPTZAOPV-IBGZPJMESA-N 352.394 2.096 0 1 FEAF Nc1cc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cc1N 587201975 FAGWQIGRTYWWJT-HNNXBMFYSA-N 369.381 2.170 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CS(C)(=O)=O)N1 587849465 LVKCAIDAWYKWKN-SDBXPKJASA-N 350.253 2.382 0 1 FEAF O=C(O)CCC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604108 RDDKWMQFCGQURV-BEFAXECRSA-N 372.329 2.432 0 1 FEAF COc1ccc(C[C@H](C(=O)Nc2ccc(OC)cc2)c2nnn[nH]2)cc1 5484057 RWBODGQKHJTVNF-INIZCTEOSA-N 353.382 2.182 0 3 FEAF COc1ccc(CNc2ccc3nc(N)nc(N)c3c2)c(OC)c1OC 5889107 HNWYPMQIUVCRED-UHFFFAOYSA-N 355.398 2.432 0 1 FEAF COc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc(OC)cc3[C@@H]1O)CO2 13376919 ANVSINVPZBSBDR-NFQUHZNNSA-N 358.390 2.488 0 1 FEAF biogenic,in-vitro Cc1noc(C)c1-c1ccc2[nH]c(C(=O)N(C)[C@H]3CCN(C#N)C3)nc2c1 1857593206 IJTONWPTRNPZBZ-AWEZNQCLSA-N 364.409 2.462 0 1 FEAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C)[C@H]1c1ccccn1 26500995 HXKSFYCMRIYOGG-XMGGNUPJSA-N 359.426 2.435 0 1 FEAF O=C1C(=O)N(c2ncccn2)[C@@H](c2cccs2)[C@@H]1C(=O)c1ccco1 110752178 CXKAPGDWEKFEIL-OLZOCXBDSA-N 353.359 2.287 0 1 FEAF COc1ccc2c(C(=O)c3ccc(C)cc3)n(CCCC(N)=O)[n+]([O-])c2c1 36383483 KULUOYDITMKYLS-UHFFFAOYSA-N 367.405 2.088 0 3 FEAF Nc1n[nH]c2nc(N3CCCCC3)c3c(c12)CCN(Cc1ccccn1)C3 49112705 CRLXKMQYJHQNGC-UHFFFAOYSA-N 363.469 2.484 0 1 FEAF COc1cc(-c2cn([C@H]3CCCCNC3=O)nn2)ccc1-n1cnc(C)c1 84617751 DZHNUHFOOBQJNH-KRWDZBQOSA-N 366.425 2.289 0 1 FEAF Nc1nccc(NCCNc2cc(-c3cccc(Cl)c3)nc(N)n2)n1 96906120 UIACBYZKCZCWAB-UHFFFAOYSA-N 356.821 2.275 0 1 FEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCS(=O)(=O)C1 587872777 QKBIIDJYRYQFFI-LBPRGKRZSA-N 352.387 2.163 0 1 FEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCN1C(=O)C=CC1=O 587873366 XRAICQHYOGCCEO-UHFFFAOYSA-N 371.368 2.433 0 1 FEAF N[C@H]1C[C@@H]2CC=Cc3c(c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c34)N2C1 113155593 XCMXGAWVDBMBMG-JQWIXIFHSA-N 369.396 2.497 0 1 FEAF Cc1cc(C)n(C[C@H](C)Nc2nc3nonc3nc2N2CCCCC2)n1 13595816 GUZQGHDTUSXVKX-LBPRGKRZSA-N 356.434 2.317 0 3 FEAF CC(C)(C)NC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccccn1 169340858 SXYRIBZATNBERJ-SFHVURJKSA-N 353.422 2.459 0 3 FEAF Cc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)c(C)c1 169345142 OUAMRGVOXHXWRT-UHFFFAOYSA-N 374.510 2.395 0 1 FEAF Cc1ccc2c(n1)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2 169711770 IKUXIHAPMKHTDP-OAHLLOKOSA-N 350.426 2.203 0 1 FEAF CCC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 1857628696 NOLFQBKTECYKHP-IUODEOHRSA-N 357.410 2.026 0 1 FEAF CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1 4093548 DZQARRMUCUCLEH-CQSZACIVSA-N 359.455 2.194 0 3 FEAF NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccccc1Cl 6805023 VKUKRCHGFIEJOP-UHFFFAOYSA-N 360.826 2.071 0 1 FEAF CCc1cccc(C)c1NS(=O)(=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1C 6887357 GYICFHOENDAUCN-UHFFFAOYSA-N 373.434 2.196 0 1 FEAF CCCCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)N(C)C4=O)cc1 106600596 RSXRKAGCCDDONS-XLAORIBOSA-N 368.433 2.388 0 1 FEAF CCCN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@]2(OC)C=C[C@@]3(C[C@@H]2N)[C@@H]1C5 100687121 YJJFLCYVPICLME-FACJCZCKSA-N 368.477 2.104 0 1 FEAF CO[C@H]1CC[C@H](c2ccc([C@@H]3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O 26823393 WCRVYIZHQXJKDN-HYJFEMIMSA-N 373.449 2.464 0 1 FEAF CCOc1cc(CNC(=O)CC)ccc1OC[C@@H](O)[C@@H](C)NC(C)C 28767937 LTGTZHSCRXGWKD-GDBMZVCRSA-N 352.475 2.238 0 1 FEAF CC=C1CN2CC[C@]34c5ccc(OC)cc5N(C(C)=O)[C@@H]3[C@H](CO)[C@H]1C[C@@H]24 2356378416 JPKPBLJUUCAYPU-CDMCTNBCSA-N 368.477 2.331 0 1 FEAF COc1cc([C@@H]2Oc3cc(C=CCO)ccc3O[C@@H]2C(=O)O)ccc1O 2356394909 IWZNJWBNFYXWGT-ROUUACIJSA-N 358.346 2.372 0 1 FEAF CCOC(=O)c1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2 38224769 MCLMDSQSSOOSRY-UHFFFAOYSA-N 374.198 2.432 0 1 FEAF c1cn2c(-c3cn[nH]n3)cnc(Nc3ccc(N4CCOCC4)cc3)c2n1 73315608 JEUKQRZPCHKUAZ-UHFFFAOYSA-N 362.397 2.095 0 1 FEAF Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCOCCc2cccc(F)c2)c1 40939988 AQFHFNHZQKRGMW-PXNSSMCTSA-N 372.488 2.091 0 1 FEAF O=C1N[C@H](c2ccccn2)CC[C@H]1C(=O)N[C@H]1CCOc2ccccc21 618013202 FPRDRBFOPHGHNN-ZOBUZTSGSA-N 351.406 2.289 0 1 FEAF CNC(=O)[C@@H]1Cc2cc(F)cc(F)c2N1C(=O)COc1ccc(F)cc1 473135140 FWYVKWMCWGENIL-HNNXBMFYSA-N 364.323 2.187 0 1 FEAF CCN(CC)S(=O)(=O)c1ccc2nc(C[S@](=O)CC3CC3)[nH]c2c1 586959351 NJAVEBFUQFLWKC-HSZRJFAPSA-N 369.512 2.252 0 1 FEAF CNC(=O)[C@@H]1C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 587235317 NNHIWOUMAWSTIQ-CRCLSJGQSA-N 374.036 2.332 0 1 FEAF c1ccc(C[C@@H]2N[C@@H](c3nc4ccc(-n5cnnn5)cc4[nH]3)CS2)cc1 587042640 VAKSGWCKXNLYKW-IAGOWNOFSA-N 363.450 2.485 0 1 FEAF O=C(O)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCCCCO)O1 13118567 GFIOTMSYYYNQDS-PXAZEXFGSA-N 360.362 2.381 0 3 FEAF COCCN(CCOC)[C@@H](C(=O)Oc1c(OC)cccc1OC)C(C)C 13864511 ATLKGHGKNJZFIM-QGZVFWFLSA-N 369.458 2.229 0 1 FEAF O=C1C[C@@H](c2ccccc2)C(=O)N1CCc1ccc(N2C(=O)C=CC2=O)cc1 169332920 UUPDSKFPHXZFJJ-SFHVURJKSA-N 374.396 2.201 0 1 FEAF CC[C@@H](C)CNC(=O)CN1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 201445480 ROQHFQVWTRWGRC-RHSMWYFYSA-N 357.454 2.190 0 3 FEAF CC[C@@H]1Cc2cc(OCCO)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857773410 QFBHAXYVOFZJQS-GFCCVEGCSA-N 359.378 2.100 0 1 FEAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCC[C@@H]1C(N)=O 2356303009 JONKFVJKJNMMEM-BXKDBHETSA-N 363.801 2.138 0 1 FEAF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)C1 4051806 MQADOESZRUHDOX-AOIWGVFYSA-N 367.405 2.108 0 1 FEAF C[C@@H]1[C@H](O)C[C@]23COC(=O)[C@@H]2CC[C@H](O)[C@@H]3[C@@]1(C)CC[C@@H]1CCOC1 2356287307 GOMXXHNZEQAZQB-SGDRCBRKSA-N 352.471 2.140 0 1 FEAF COCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CCCC2)[C@H]1c1ccccc1 2356288940 NBNLGCIOIFPKFQ-SBHAEUEKSA-N 374.481 2.032 0 1 FEAF Nc1c(-c2nc3ccc(N4CCOCC4)[nH]c-3n2)c(O)nc2ccccc12 36176827 YUZDAIVFOGPJIS-UHFFFAOYSA-N 362.393 2.249 0 1 FEAF CC(=O)Nc1cccc2n1cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C 49054821 BJELFHYWVLRPQI-UHFFFAOYSA-O 353.402 2.450 0 1 FEAF Oc1nc(CN2CC[C@@H](O)C2)nc2c1oc1ccc(Br)cc12 43206168 FRRLLRQAGKSVMU-SECBINFHSA-N 364.199 2.411 0 1 FEAF COc1cccc(N2C(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)[C@H]3C2=O)c1 25410373 VOHMBPBFINJPNF-IAGOWNOFSA-N 371.437 2.301 0 1 FEAF biogenic Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1ccccc1 95920832 SIHPQWGESUQLJI-UHFFFAOYSA-N 374.447 2.347 0 1 FEAF in-vitro NC(=O)c1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)cc1 95580871 IERFHHVQQSIBIY-UHFFFAOYSA-N 373.372 2.339 0 1 FEAF C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 253979380 NNNNVKKBPBVBKU-XOKHGSTOSA-N 350.484 2.068 0 3 FEAF aggregator COc1nc(N)nc(N2CCCC2)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587396851 WODNSRNMAPPRMI-AWEZNQCLSA-N 369.425 2.265 0 1 FEAF Cc1nn(C)c(C)c1[C@@]1(C(N)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587516700 UQNHJXKFLOMLRR-HXUWFJFHSA-N 353.422 2.262 0 1 FEAF N=C(N)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587163973 POGOQKHYIFRYPD-UHFFFAOYSA-N 364.384 2.264 0 1 FEAF NS(=O)(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 587139120 WRLQWOSKQZJZTQ-UHFFFAOYSA-N 355.341 2.413 0 1 FEAF CN(C)C(=O)C[C@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962708533 ZJOUPMUSBOBWAS-WFASDCNBSA-N 362.323 2.137 0 1 FEAF CC[C@]1(C(N)=O)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963197744 UDWNZYWJDYXNJC-MFKMUULPSA-N 350.724 2.048 0 1 FEAF NC(=O)c1c(F)ccc(OCC(=O)OCCOc2ccc(F)cc2)c1F 1772608007 YCONVERARROZDY-UHFFFAOYSA-N 369.295 2.204 0 1 FEAF COc1c2c(cc3c1[C@@]14CCN(C)[C@@H](CC3)C1=C[C@H](O)[C@H](OC)C4)OCO2 14416472 MKGYTINLRGEUBT-QSLMVLCRSA-N 373.449 2.018 0 1 FEAF biogenic CN(C)c1ncc2nc(-c3cccs3)c(=O)n(C[C@H]3CCCO3)c2n1 4238766 LZMXCHZHQCNXIN-LLVKDONJSA-N 357.439 2.160 0 1 FEAF Cc1c(N2CCC[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 4634270 UGRLROASGRWGAN-LBPRGKRZSA-N 359.401 2.250 0 1 FEAF CCCN1C(=O)c2cc(C(=O)NCc3ccc(OC)cc3)ccc2[C@H]1O 4940070 XBUSIDVZYYVIIO-LJQANCHMSA-N 354.406 2.482 0 3 FEAF aggregator CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccc2c(c1)OCO2 103140843 KKLPJGUDZGCLTG-KRWDZBQOSA-N 359.378 2.386 0 1 FEAF Nc1nc(C(=O)NCCCc2ccccc2)cn2nc(-c3ccco3)nc12 28526636 AMUVEDCWJWCWEX-UHFFFAOYSA-N 362.393 2.329 0 1 FEAF COc1ncnc(Cn2cc(C(=O)NCC3CC3)c3ncccc32)c1C 103248022 GCCAOKMZMSWVKK-UHFFFAOYSA-N 351.410 2.331 0 1 FEAF C[C@H]1CC[C@@H]1n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 27621104 KKEZSOIPESLRDU-NHYWBVRUSA-N 359.401 2.219 0 1 FEAF CC=C1CCN2CC[C@@]34c5ccccc5N(C)[C@@]23C(=O)[C@H]1[C@H]4C(=O)OC 2356726871 YYLPGHZHHLOGDL-SEONNTABSA-N 352.434 2.114 0 1 FEAF O=C1NCC(=O)N(Cc2ccc(F)cc2)[C@H]1Cc1c[nH]c2ccccc12 71281067 XCYFIMNJFVHZIO-SFHVURJKSA-N 351.381 2.377 0 1 FEAF CCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@@H](CC)N2 82207406 WRCLKOALUVZRAF-CQSZACIVSA-N 358.442 2.245 0 1 FEAF CCOc1ccc2[nH]nc(-c3cc(N4CCN(CC)C(=O)C4)ncn3)c2c1 221365873 PCYLWYULVBOLKD-UHFFFAOYSA-N 366.425 2.087 0 1 FEAF NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 84687639 AKIZMYRNMHKDJZ-INIZCTEOSA-N 355.369 2.168 0 1 FEAF CN(C)CCNc1ncc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1 40896855 SPDKDYDZEMUCID-UHFFFAOYSA-N 368.363 2.311 0 1 FEAF Cn1c(O[C@@H]2CCCN(c3ccccc3)C2)nc(-c2ccncn2)cc1=O 198757544 RBNVPVSHDPWACK-MRXNPFEDSA-N 363.421 2.285 0 1 FEAF O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 95894626 ASBISCBCTXZQKG-AQNXPRMDSA-N 362.429 2.412 0 1 FEAF CCc1ccc(-c2nc3c(=O)n(-c4ccccc4)c(=O)nc-3n(C)n2)cc1 96282734 ATKXRXZNTMCZMI-UHFFFAOYSA-N 359.389 2.055 0 1 FEAF COc1cccc(N2CCN([C@@H](C(=O)O)c3ccc(OC)nc3)CC2)c1 95369112 RGZYWLYAOCALBP-GOSISDBHSA-N 357.410 2.047 0 1 FEAF C[C@@H]1OC=C(C(=O)O)[C@H]2C[C@H]3N(CC[C@@]34Nc3ccccc3C4=O)C[C@@H]12 238739872 XJBQLDFXLQMHKY-RCKPHGOXSA-N 354.406 2.131 0 1 FEAF O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cnccn2)C1 95565862 RKEXVRGHOMJTPO-UHFFFAOYSA-N 358.764 2.184 0 1 FEAF CC(C)[C@@H](CO)Nc1nc(Nc2ncccn2)c2ncn(C(C)C)c2n1 95598063 RQMFTTZNRWHFLF-GFCCVEGCSA-N 356.434 2.370 0 1 FEAF C[C@H](C(=O)N=c1sc2ccccc2n1C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 261083575 CCKDKMSKFQFKFL-JHJVBQTASA-N 369.446 2.007 0 3 FEAF COC(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2n1 587216447 BQNJYWSTCORYIG-INIZCTEOSA-N 352.394 2.473 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1[C@@H]3CN[C@H]1C(=O)O 586990097 VFQDKNNTFJXQBK-CYKIYJRWSA-N 358.353 2.389 0 1 FEAF COc1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2n1 587203805 UNUDARZJKXCVKL-ZDUSSCGKSA-N 370.365 2.409 0 1 FEAF Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2[C@@H](O)[C@@]3(C)CC[C@@H]2C3(C)C)cc1 11616783 RMTYNAPTNBJHQI-LUXYFRNMSA-N 366.483 2.169 0 1 FEAF in-man Cc1c(C(=O)N2CC3(C2)CC(F)(F)C3)cnn1-c1nc(O)c2cc[nH]c2n1 1857609575 OUEPQKYMFAWGRA-UHFFFAOYSA-N 374.351 2.029 0 1 FEAF CNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(S(C)(=O)=O)cc1 589566 OFKYROVDFKBXPL-OAHLLOKOSA-N 352.456 2.210 0 1 FEAF COC1=C(O)CCC([C@@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO)=C1 2356368021 KJIONTCDDJOZNE-ZQGRQUNCSA-N 362.422 2.394 0 1 FEAF Cc1cc(C)nc(N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)n1 4967754 PHWLTLAJOSLCLJ-INIZCTEOSA-N 368.437 2.355 0 3 FEAF CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O 100199783 SRISWFJLVRCABV-VYNYJHGUSA-N 368.477 2.125 0 1 FEAF in-vitro CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc(C(C)(C)O)s1 28827428 FUIQEFAUOQZFBZ-CMPLNLGQSA-N 371.503 2.001 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@H]2[C@@]1(C)O 2356649159 BOOUTSYULZVFNI-NGTQAZIISA-N 364.438 2.387 0 1 FEAF COc1cc(CCCc2c[nH]c3nc(N)nc(N)c23)cc(OC)c1OC 38214750 LBMNCCGEGLXNGB-UHFFFAOYSA-N 357.414 2.323 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccc2ncccc2c1 195405999 WYGMMUBQAMBGGY-OHHBCXFOSA-N 361.401 2.371 0 1 FEAF COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2 96914134 UOEUJVLYVLHEKQ-OAHLLOKOSA-N 357.406 2.439 0 1 FEAF O=C1OC[C@H](Cc2cc3c(cc2O)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 238734070 USDSELQVFVZGHP-UONOGXRCSA-N 370.357 2.424 0 1 FEAF Cc1cc(O)c(CO)c2c1C(=O)Oc1c(O)c3c(c(C)c1O2)COC3=O 94156250 XKARQFXCLUUMCB-UHFFFAOYSA-N 358.302 2.202 0 1 FEAF biogenic Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(CCO)cc3[nH]2)cc1 586941344 SIZVVFYESHEXMQ-LUAWRHEFSA-N 371.462 2.496 0 1 FEAF COc1ncc(F)cc1-c1nc2cc(S(=O)(=O)N(C)C)ccc2[nH]1 587176113 NOXGAOUHSBNECK-UHFFFAOYSA-N 350.375 2.023 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1noc(C)n1 587868790 SOBMLTXARASGMM-UHFFFAOYSA-N 368.275 2.744 0 1 FEAF COc1nccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c12 586940874 ITRPMLRSLSTQNY-NTMALXAHSA-N 358.423 2.365 0 1 FEAF Cc1c(I)cnn1[C@H](C)c1nc2ccnc(N)c2[nH]1 587182285 NVPHEUJXYJTJAU-SSDOTTSWSA-N 368.182 2.259 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc5c(cc41)OCCO5)[C@@H](C2)C3=O 587441875 UGJJDLVVUYHFLY-YUNKPMOVSA-N 365.341 2.061 0 1 FEAF N[C@@H](N=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 957916666 VNVAOZRGKLJVTJ-GJZGRUSLSA-N 367.814 2.348 0 1 FEAF Cn1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCC3(F)F)n2)cn1 203730939 KNGBPOUPNSUJPG-LBPRGKRZSA-N 359.384 2.082 0 1 FEAF COc1ccccc1CN1C[C@H](C(=O)NCc2cccc(C)n2)CCC1=O 11938594 GAEDTDPHYVHSLX-QGZVFWFLSA-N 367.449 2.454 0 3 FEAF C[C@]1(CO)CCc2c(C(=O)Nc3cnn(Cc4ccccc4)c3)n[nH]c2C1 169329946 SXIQTGHCRRJBCG-FQEVSTJZSA-N 365.437 2.394 0 1 FEAF CN1CCN(C(=O)c2cc(-n3ccc4ccccc43)c(O)cc2O)CC1 169343520 ADPSERRRZONZKD-UHFFFAOYSA-N 351.406 2.429 0 1 FEAF COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1cccc(OC)c1 1857609193 AJQZFVLFXXZBOG-MZEUMTGBSA-N 355.390 2.315 0 1 FEAF CCOC(=O)c1sc2nc(CC(=O)OC)nc(N3CCCC3)c2c1C 752910 ZXDBPABCGXYDJR-UHFFFAOYSA-N 363.439 2.492 0 1 FEAF COC1=CC[C@@]23CCN(C)[C@@]24C[C@@H](O[C@@]14O)c1ccc(OC)c(OC)c13 2356354730 AKMIHNAUTMLDGR-DPZWOIPNSA-N 359.422 2.114 0 1 FEAF CO[C@H]1[C@H]([C@@H](CC(=O)O)NCC[C@H](C)CC(C)C)O[C@@H]2OC(C)(C)O[C@H]12 103296921 PQWSTYMWWPTFKP-AKKRCFLFSA-N 373.490 2.383 0 1 FEAF COc1ccc(/C(=C/c2cc(OC)c(OC)c(OC)c2)C(N)=O)cc1N 38154376 JEOMCJSXTYLHLA-QPEQYQDCSA-N 358.394 2.329 0 1 FEAF CN1CCN(C(=O)c2cccc(-c3nc(-c4ccncc4)cnc3N)c2)CC1 45371316 FOLDZLCWADFPBP-UHFFFAOYSA-N 374.448 2.175 0 1 FEAF CC(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1CCCn1ccnc1 199225382 HTRNQKLKMYDFAU-INIZCTEOSA-N 351.414 2.086 0 3 FEAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(N)ncc4[nH]3)CC2)cc1 586955427 XSVOTECVWNLJSU-UHFFFAOYSA-N 371.466 2.417 0 1 FEAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc2c1 587259068 DDXUKLWGGSCTGM-ZDUSSCGKSA-N 372.812 2.344 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 586909209 WNBORDAZRYLGJW-LLVKDONJSA-N 373.434 2.394 0 1 FEAF COc1ccc(-c2nnc(SCn3nnc4ccccc43)n2N)cc1 958557875 PSANLCBJBQDWHL-UHFFFAOYSA-N 353.411 2.162 0 1 FEAF COc1cc([C@H]2NCCc3ccc(O)cc32)cc(Cl)c1OCC(N)=O 963331114 XCGYFRQEDZGGRZ-QGZVFWFLSA-N 362.813 2.153 0 1 FEAF Cc1ccc(OCCOC(=O)COc2ccc(F)c(C(N)=O)c2F)cc1 1772590256 CVJNFUUINFVLOT-UHFFFAOYSA-N 365.332 2.373 0 1 FEAF Cc1c(C(=O)c2ccccc2)c(=O)n(C)n1C[C@@H](O)CN(C(C)C)C(C)C 13555941 UYZSJNDVHQWHHN-SFHVURJKSA-N 373.497 2.206 0 1 FEAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@H]4CCCNC4)c(=O)n1c23 1857553921 GNCZLLHSLMYGQY-NEPJUHHUSA-N 373.428 2.083 0 1 FEAF CCNC(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O 2356423865 DZEFVDKLTSIVDA-RYRKJORJSA-N 359.426 2.112 0 1 FEAF CN1C(=O)[C@H]2C[C@@H](CN2C(=O)c2ccc3c(c2)OCO3)Oc2ccccc21 2356386665 RLPOHCHGJBKMQH-DZGCQCFKSA-N 366.373 2.054 0 1 FEAF O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1ccccc1Cl 103199626 HDDCORNGBAFAKK-AWEZNQCLSA-N 360.822 2.475 0 1 FEAF CCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1 22511183 IQMOREKKLSMREW-UHFFFAOYSA-N 361.417 2.391 0 1 FEAF CC[C@H]1CN(C(=O)c2cccnc2)CC[C@@H]1CC(=O)NCCN1CCCC1 25427783 YMPQJVLWFWDGQC-ZWKOTPCHSA-N 372.513 2.172 0 1 FEAF biogenic CC1(C)Oc2cc(O)c3c(c2[C@H](O)[C@@H]1O)OC(c1ccc(O)cc1)=C[C@@H]3O 238763224 ISGAAPAIOWRAOZ-AHYKXKOGSA-N 372.373 2.130 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CNC(=O)C2CC2)cc1 95895236 LDIOELSZPYZCLS-YBLJZONTSA-N 356.466 2.311 0 1 FEAF O=[n+]1[nH]c2c(-c3nc[nH]n3)cnn2c2cc(OCc3ccccc3)ccc21 377845532 VLVIIPMFAQKENU-UHFFFAOYSA-N 360.357 2.094 0 1 FEAF Cn1cc(-c2ccc(=O)n(Cc3cccc(Nc4ncccn4)c3)n2)cn1 653692851 YQANMBGICJVOQZ-UHFFFAOYSA-N 359.393 2.226 0 1 FEAF COc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1SCC(=O)O 587562590 GWNURTZFNRHTHC-UHFFFAOYSA-N 359.363 2.288 0 1 FEAF COC(=O)/C(=C/N(C)C)[C@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429543 PJIZQALYWCBURE-DJSZKADPSA-N 357.406 2.210 0 1 FEAF NS(=O)(=O)c1cccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c12 587167566 VRKYMBLMONFNAB-HJWRWDBZSA-N 360.370 2.001 0 1 FEAF CC(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)Cc1c(C)[nH]c2ccc(F)cc12 13471519 LBKQDOBRGQSPSS-FJVYXFCJSA-N 371.412 2.152 0 1 FEAF CN1CCCN(Cc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1 167019989 DCEPEXFNMGCCHE-UHFFFAOYSA-N 366.509 2.377 0 1 FEAF N[C@@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 3800455 PFXDGXLZRNKZKL-SECBINFHSA-N 363.364 2.240 0 1 FEAF CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)C1 4051809 MQADOESZRUHDOX-LMMKCTJWSA-N 367.405 2.108 0 1 FEAF CC(C)CCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCC(C(N)=O)CC1 59866390 GJDJTGRUUFVDLF-QGZVFWFLSA-N 374.464 2.145 0 3 FEAF CCCCCCc1nc(-c2ccc(CNC(=O)[C@H]3NCC[C@@H]3O)cc2)no1 58599181 VCAYIZQMMNEPHI-WMZOPIPTSA-N 372.469 2.198 0 1 FEAF CCOC(=O)[C@@H](CC)Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1 104106083 LFXIMMYSUDFTSF-CYBMUJFWSA-N 358.423 2.494 0 3 FEAF O=C1N(C2CCOCC2)C[C@@H]2CN(Cc3ccc4ccccc4n3)CCN12 2356669258 UJCBHCJSKQYWHQ-IBGZPJMESA-N 366.465 2.336 0 1 FEAF CC=C1CN2[C@H]3C[C@H]1[C@@](CO)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccc(O)cc12 2356736963 FRCLXVJYJUQIJH-LNNXQNCSSA-N 368.433 2.273 0 1 FEAF COC[C@@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1 2356854793 RSIJLFBFNWOKOK-XSDIEEQYSA-N 371.525 2.238 0 1 FEAF COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCC(NC(N)=O)CC3)c2c1 73196152 CYKLFNLBIIBPFK-UHFFFAOYSA-N 368.441 2.374 0 1 FEAF C[C@@H]1CCC(C(=O)O)=C(NC(=O)CCc2nc(-c3ccc(F)cn3)no2)C1 34853566 GNKKOVWBDGNXFC-SNVBAGLBSA-N 374.372 2.478 0 1 FEAF NS(=O)(=O)c1ccc(-n2cc(C(=O)O)c(-c3ccc(F)cc3)n2)cc1 71296963 QTADDICPZBUWLN-UHFFFAOYSA-N 361.354 2.024 0 1 FEAF CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)C2CCCCC2)c1=O 25409932 YEDXNIINFBKDOH-ZBFHGGJFSA-N 357.454 2.333 0 1 FEAF biogenic C/C1=C\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@@](C)(CC1)[C@]14CO[C@](O)([C@H]2O)[C@]31O4 261109944 HXNQQVVTMAHKGR-LXBQFGQMSA-N 350.455 2.298 0 1 FEAF CCN1C(=O)N(CCC(C)C)C2(CCN(C(=O)c3ccccn3)CC2)C1=O 473090820 ARRJAWMFHQYQLY-UHFFFAOYSA-N 372.469 2.387 0 1 FEAF O=C1c2ccccc2C(=O)N1CCCCc1ccc2c(O)nc(O)nc2n1 587557969 NOJPGPLCNKZIEA-UHFFFAOYSA-N 364.361 2.055 0 1 FEAF CC1(C)Cc2ncnc(N)c2[C@]2(C1)N[C@H](C(=O)O)Cc1cccc(F)c12 962892955 HSUDDPIGODUZGH-HXPMCKFVSA-N 356.401 2.013 0 1 FEAF COc1ccccc1CNCCn1cnc(-c2cc(C(=O)O)ccn2)c1 225919360 HNCSOLMMKKZZJS-UHFFFAOYSA-N 352.394 2.442 0 1 FEAF CCNS(=O)(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2 13472634 NTQDICINEKDBLV-UHFFFAOYSA-N 360.435 2.207 0 1 FEAF OC[C@@H]1[C@H](O)C[C@H](NC2CCC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356286798 AEBVDLZPPSAPCK-FUMNGEBKSA-N 353.466 2.186 0 1 FEAF O=C(O)c1cn(C2CC2)c2cc(N3CCN(C4CC4)CC3)c(F)cc2c1=O 26939795 QZVSAKBNYDQTJU-UHFFFAOYSA-N 371.412 2.458 0 1 FEAF CN1[C@H]2C[C@H](O)[C@H]1[C@H]([C@H](O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C2 2356697411 PNMXNAGXMLFKBK-MKUJHJDCSA-N 367.445 2.399 0 1 FEAF CNC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)OCCO3)cc1 29227794 ANRKPGUVVLPHTP-GFCCVEGCSA-N 355.394 2.257 0 1 FEAF COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)[C@@H](OC)C[C@@H](O)C[C@H]1C 40421142 ZUAVWHYWKWBECT-KJKHMHQUSA-N 356.802 2.477 0 1 FEAF CCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@@H](C(C)C)N2 82224196 AMQBEUOHUIOYJE-INIZCTEOSA-N 372.469 2.491 0 1 FEAF CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@@H](C(C)C)N2 82206174 XIUDMWIQGDZZQI-HNNXBMFYSA-N 358.442 2.188 0 1 FEAF COc1cc2nc(NCCCCCO)nc(NC[C@@H](C)O)c2cc1OC 82129062 JFJSWCWKZMOWHI-GFCCVEGCSA-N 364.446 2.014 0 1 FEAF Nc1c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cnc2c(F)cccc12 587175979 DKBAAWHOIGTIRT-UHFFFAOYSA-N 357.370 2.147 0 1 FEAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@H]3COCCO3)nc2c1 586909558 GVNMIJHTOZOEAK-JTQLQIEISA-N 369.215 2.460 0 1 FEAF O=C1c2ccc(O)cc2O[C@]2(C=C(CO)OCC2=O)[C@H]1c1ccc(F)cc1 587355895 GVLLPWIKKJBZKX-ICSRJNTNSA-N 370.332 2.105 0 1 FEAF CCCCNS(=O)(=O)c1ccc2nc(-c3csc(O)n3)[nH]c2c1 587018840 QDJFEIBZPVZJKG-UHFFFAOYSA-N 352.441 2.470 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C)c(S(N)(=O)=O)c1)O2 587408054 DLMWPWAWHOZJFS-GOSISDBHSA-N 360.435 2.414 0 1 FEAF Cc1cc(C)cc([C@@]2(C)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1 963209805 XXIZDDBBAZIUBF-FIKGOQFSSA-N 364.449 2.048 0 1 FEAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccccn2)([C@H]2CCNC2)N1 963229679 PRAKOSIPPYPKOS-OSGPJOMKSA-N 374.444 2.082 0 1 FEAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C3(O)CC3)ncc12 1772633769 ZCOFKLJRCOGSLC-HNNXBMFYSA-N 353.382 2.354 0 1 FEAF Cn1cc(-n2cc(C(=O)O[C@H]3C[C@H]4COC[C@@H](C3)N4)c3ccccc32)cn1 1772632390 LFKKUCDDFFZKNY-MIFYACCESA-N 366.421 2.040 0 1 FEAF O=C(O)CCCCCC[C@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCCCCO 13546825 LDUBDFDZFOQXGF-ORFHORQCSA-N 370.486 2.448 0 1 FEAF C[C@@H]1C[C@@]2(O)OC[C@@]3(O)CCC[C@H]4[C@]32CO[C@H]2O[C@H](c3ccoc3)C[C@@]214 14765443 REJHHWGGOQFFHA-MWFDKQOJSA-N 362.422 2.360 0 1 FEAF Cc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1 169345140 LERAKYYMBKOVHZ-UHFFFAOYSA-N 360.483 2.087 0 1 FEAF COc1cccc(CCN2C=N[C@H]3C(=O)NC(Cc4ccccc4)=N[C@@H]32)c1 1857548084 VDGBXWCKYAESKO-WOJBJXKFSA-N 362.433 2.047 0 1 FEAF C[C@@H](NC(=O)Cc1ccccc1)NC(=O)[C@@H](C)C(=O)Nc1ccccc1 1857275 NWUCXYJTNFIILW-CABCVRRESA-N 353.422 2.082 0 1 FEAF COc1cccc(NS(=O)(=O)c2ccc3c(c2)C=CS3(=O)=O)c1 28525808 IPCOPLUGHCZSBQ-UHFFFAOYSA-N 351.405 2.254 0 1 FEAF CC=C1CO[C@H](O)[C@]2(C(=O)OC)[C@@H]1C[C@@H]1NCCc3c1n2c1ccccc31 2356377712 JNERBODVRAQESP-QMKUDKLTSA-N 368.433 2.011 0 1 FEAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC(=O)[C@@]13C[C@@H](CC[C@H]21)[C@](O)(CO)C3 2356413275 VRIMVJLJGZEEBA-DQRCKWGPSA-N 350.455 2.386 0 1 FEAF COc1cccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1 77338846 ICSVKXQCGCIZOF-HNNXBMFYSA-N 366.483 2.251 0 1 FEAF C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 38986614 SDWMGUVLMJYDMR-PPOCFTBCSA-N 352.471 2.425 0 1 FEAF biogenic,in-vitro O=C(O)Cn1cnc2c1CCN(C(=O)c1csc(-c3ccccc3)n1)C2 84671127 HMROYIXNBLNKII-UHFFFAOYSA-N 368.418 2.290 0 1 FEAF COc1ccc(-c2cn(-c3cc(OC)c(OC)c(OC)c3)nn2)c(N)c1N 84538195 AQFDQXWFWGJBCA-UHFFFAOYSA-N 371.397 2.133 0 1 FEAF CC(=O)Nc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@@H](C)CN3)cc1 82211369 KEWHFTZSFDXEIV-LBPRGKRZSA-N 371.441 2.148 0 1 FEAF Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C)n1 143068700 KSHVNQSJBRMRDI-UHFFFAOYSA-N 374.452 2.473 0 1 FEAF CCO[C@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@@]1(C)O 143049159 KJUPSCHIFMZADG-HOCLYGCPSA-N 370.837 2.062 0 1 FEAF CN(c1ncc(Br)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 146986851 UHBCBUQTTGJFLB-LLVKDONJSA-N 374.246 2.226 0 1 FEAF Cc1cccc(OCCNCCCCN2C(=O)[C@H]3CCCN3C2=O)c1C 96933067 UZXMZIITIIZTCM-QGZVFWFLSA-N 359.470 2.479 0 1 FEAF O=C(NC1CCCC1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 253952969 VXVAXTVQJBEBRG-DRMAHVMPSA-N 358.463 2.089 0 3 FEAF CCOC(=O)C(=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798932 QCCDADOIDMEJQY-GLEZIHRCSA-N 358.207 2.470 0 1 FEAF COc1cc2c3c(c1)O[C@](CC(=O)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587447209 NSPDRDVJDZFJGM-VBKZILBWSA-N 352.342 2.382 0 1 FEAF COC(=O)C[C@H](C)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587787023 UCYJFDZXRHKUKT-LLVKDONJSA-N 355.398 2.364 0 1 FEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc([C@H](N)N=O)cc2[nH]1 587226540 ZWEUUFLFKIBZIS-APPDUMDISA-N 353.382 2.370 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H](N)C3)c(Cl)c21 13649606 FMQHVYXATGUMFB-MRVPVSSYSA-N 353.781 2.050 0 1 FEAF CCOC(=O)c1cc(CC)cc(CCn2cnc3c2NC=NC[C@@H]3O)c1 13807676 KQKHATZTPALWEH-INIZCTEOSA-N 356.426 2.352 0 1 FEAF CCN1C(NCCCCO)=N[C@@H](c2cccc(F)c2)C(C(=O)OC)=C1C 15937393 CVFBPDDNGUFSRZ-KRWDZBQOSA-N 363.433 2.367 0 3 FEAF O=C(NCc1cccnc1)c1csc([C@H](O)c2ccc3c(c2)OCO3)n1 206022900 UQXWSAUSUBBWJU-MRXNPFEDSA-N 369.402 2.279 0 3 FEAF CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NC(=O)c1ccc(F)cc1)C2 1857585683 VYXYWEODDXYKMZ-OAHLLOKOSA-N 372.444 2.421 0 1 FEAF COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NC[C@@H]2CCCO2)cc1 1381066 MAUPNTYWFNJPFR-DOTOQJQBSA-N 359.378 2.482 0 3 FEAF COC(=O)[C@]1(O)C[C@@]23CCCN4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 2356437671 BAYILHHYJWNJCS-QNDFHXLGSA-N 354.450 2.045 0 1 FEAF O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1ccc(Cl)cc1 103199647 WYTKOYRFQXSZCJ-CQSZACIVSA-N 360.822 2.475 0 1 FEAF O=c1c(Cn2nnn(-c3ccccc3Cl)c2=O)coc2ccccc12 28647604 CBLJYPADKSLTJG-UHFFFAOYSA-N 354.753 2.237 0 1 FEAF CO[C@@H]1C[C@]2(C)CC[C@]3(C)[C@H](C[C@H]4O[C@@]3(O)[C@@H](O)[C@H]4CO)C2=C1C(C)C 2356837838 LNOVVADOOMBUOP-XPGZMPDMSA-N 366.498 2.241 0 1 FEAF CCO[C@@]12C[C@@H]3[C@@H]4CCO[C@@H]5CC(=O)N6c7ccccc7[C@@]1(CCN42)[C@H]6[C@@H]35 2356859018 SQERIZJQGWEYQJ-MQQGOFOFSA-N 366.461 2.289 0 1 FEAF CCCOC(=O)[C@]1(O)C=C(OCc2ccc3ccccc3c2)[C@@H](O)[C@H](O)C1 72178518 UXNMQKMYHSDBBE-SLYNCCJLSA-N 372.417 2.050 0 1 FEAF OC1(c2cccnc2)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 43206620 GEVVHUGVIJRPPF-UHFFFAOYSA-N 364.331 2.026 0 1 FEAF COCCN1CCN(c2ccnc(-n3cnc4cc(C)c(C)cc43)n2)CC1 84733632 AXRQOAGCSGYJME-UHFFFAOYSA-N 366.469 2.201 0 1 FEAF C/C=C/c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)c1cnccn1)[C@H](CO)N2 95878833 NXDJMDMXSLLZJH-KFLKEAKISA-N 350.422 2.500 0 1 FEAF C[C@@H]1[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)CCC1=CCOC1=O 43510767 JSFDZACEGAEQSO-IQPPGHNGSA-N 350.455 2.393 0 1 FEAF biogenic Cn1cc(S(=O)(=O)N2C[C@H](c3ccccc3)C(c3ccccn3)=N2)cn1 653837947 YRFVSLUTTZFYFD-MRXNPFEDSA-N 367.434 2.008 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN[C@H](C(=O)O)C2)N1 587795602 RHGLYWADIXNBAK-PEGZWESCSA-N 357.223 2.154 0 1 FEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)O 587491895 WQISMQWDRMYOOA-ZWGLBDBVSA-N 374.389 2.490 0 1 FEAF Cc1cccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)c1 205808400 RJZQRHHIYJPHCY-UHFFFAOYSA-N 369.454 2.331 0 1 FEAF CS(=O)(=O)c1ccc([C@@H]2SCC(=O)N2CCN2CCCCC2)cc1 1772624332 ARFCBVNRTYSBFU-KRWDZBQOSA-N 368.524 2.150 0 1 FEAF CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2ccoc2)NC(=O)N1 1772582763 APTKIYZSANGZLZ-MRXNPFEDSA-N 356.334 2.380 0 1 FEAF O=C(O)[C@@H]1C[C@H]2C[C@@H]([C@@H](Cc3nnn[nH]3)c3ccccc3)CC[C@H]2CN1 13756249 IBSIVKVUENWMSI-KSWRQPAISA-N 355.442 2.005 0 1 FEAF C[C@]1(CO)[C@H](O)CC[C@]2(C)[C@H]1CCC1=C[C@H]3C[C@@]12CC[C@]3(O)C(=O)O 2356323645 CRKXFQVLMHNMQV-QXFKZLCPSA-N 350.455 2.098 0 1 FEAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCO 4049192 AGKGKBZBVDWXGL-PKOBYXMFSA-N 354.406 2.286 0 1 FEAF Cc1cc2c(cc1S(=O)(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)OCC(=O)N2 9432333 WOAHIUBITLDPGX-WXHSDQCUSA-N 352.456 2.429 0 1 FEAF C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@H]2CC[C@H](O)[C@H]3[C@@]1(C)CC[C@H]1CCOC1 103288141 GOMXXHNZEQAZQB-IGVCPSSVSA-N 352.471 2.140 0 1 FEAF O=C(Cn1c(=O)sc2ccccc21)NCCN1CCc2ccccc2C1 20848371 QUOBIHIQYFJXQS-UHFFFAOYSA-N 367.474 2.238 0 1 FEAF CCC[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)O 27743655 SFGNRLKCFSZOSU-HUUCEWRRSA-N 350.415 2.307 0 1 FEAF CNC(=N)c1ccc(N2CCN(c3ccc(C(=N)NC)cc3)CC2)cc1 28972364 OGRCWLUJCGXAOS-UHFFFAOYSA-N 350.470 2.103 0 1 FEAF C[C@]12[C@@H]3C[C@]4(C)O[C@H](C5=C[C@H](O)OC5=O)C[C@]4(C)[C@@H]1CCC[C@H]2C(=O)O3 197396041 GTLPQTPLMKLMPM-HXJIOFMHSA-N 362.422 2.094 0 1 FEAF Cn1c(OC[C@H]2CCN(c3ccccc3)C2)nc(-c2ccncn2)cc1=O 149419506 HIKQWMGBDQMZTD-HNNXBMFYSA-N 363.421 2.143 0 1 FEAF C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccc(Cl)c2OC)C1 621485870 QDVLZWNOAPBCNG-GFCCVEGCSA-N 372.874 2.264 0 1 FEAF N[C@H]1CC[C@@H](Nc2ccnc(O)c2-c2nc3c([nH]2)C[C@@H](C(=O)O)CC3)CC1 653729633 ZSZFCHMTIQSUJV-SDDRHHMPSA-N 371.441 2.049 0 1 FEAF COc1ccc2c(c1OC)[C@]1(CC[C@@H]3[C@H](CN[C@H]3C(=O)O)C1)N(C)[C@H](C)C2 962575099 VOMPILDJXDPJGK-FVSJLZSDSA-N 374.481 2.248 0 1 FEAF CN(C)C1CCN(C(=O)c2cc3c(n2C)-c2ccccc2C(=O)NC3)CC1 169352951 FJZCSVBGUDNLRP-UHFFFAOYSA-N 366.465 2.102 0 1 FEAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CCC(=O)NC1 201101642 JWQAZKIUJNSNNA-PJUBBZNESA-N 356.466 2.359 0 1 FEAF CC(=O)Nc1ccc2nc(O)n([C@H]3CO[C@@H](C(C)(C)C)OC3)c(=O)c2c1 1857573449 LZMOFIFYIGAFSX-DRQUAOQDSA-N 361.398 2.021 0 1 FEAF COc1ncnc(Cn2cnc3c(C(=O)NCCF)cc(C)cc32)c1C 1857600686 GDZUTXMICYGGFM-UHFFFAOYSA-N 357.389 2.199 0 1 FEAF CN1CCN(c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)CC1 1857616798 LLNWCPKEPUSMNT-UHFFFAOYSA-N 357.479 2.190 0 1 FEAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc2ccccc2n1C 1857643497 QZEJDSXQHUAXSO-HNNXBMFYSA-N 354.410 2.125 0 1 FEAF c1cc([C@H]2OC[C@H]3OCCC[C@H]3O2)nc([C@H]2OC[C@H]3OCCC[C@H]3O2)c1 28886058 WDLNAJKOUYTTKN-QMROVXIMSA-N 363.410 2.268 0 1 FEAF C1=C2OCO[C@@H]2C[C@H]([C@@H]2OC[C@@H]3[C@@H]2CO[C@@H]3[C@@H]2CC[C@@H]3OCO[C@H]3C2)C1 2356823775 GOSCVQNXHKJPRS-ALGYESEPSA-N 364.438 2.225 0 1 FEAF C[C@H](O)COC[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1 38278896 CDKPAWCGPQDCGU-LPHOPBHVSA-N 357.450 2.450 0 1 FEAF in-vivo COC(=O)C[C@@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCCCC1 40465419 RHPHTLHYFQIZKQ-AWEZNQCLSA-N 365.426 2.335 0 1 FEAF Cc1ccc(-c2nc(C(=O)N(C)CC(=O)OC[C@H]3CCCN3C)co2)cc1 82074036 CHZVCKFVLFZQQR-MRXNPFEDSA-N 371.437 2.359 0 1 FEAF CCN(CCCN1C=CN(C)/C1=C/N=O)S(=O)(=O)c1ccccc1 148120172 OPQOBMLSKYAIJZ-PEZBUJJGSA-N 350.444 2.371 0 1 FEAF C[C@@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592493 HQVDWKFUYZGRDE-XLIONFOSSA-N 355.390 2.445 0 1 FEAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(F)c(F)cc2[nH]1 587227602 PXGVDECGLABHJW-UHFFFAOYSA-N 374.347 2.384 0 1 FEAF COC(=O)[C@@H]1COC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587836658 XAQVITBTRRAQGE-SXKNGAHQSA-N 358.207 2.137 0 1 FEAF COCCc1cc2c(O)nc(O)nc2nc1[C@@H](C)NC(=O)OC(C)(C)C 587555130 OCPKXRYUXGJOHQ-SECBINFHSA-N 364.402 2.211 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](C(=O)O)NC2)N1 587799424 WZGBNMVWBBWUKQ-YVILZHTOSA-N 357.223 2.154 0 1 FEAF CN1C(=O)[C@@H]2[C@@H](C=C[C@H]([C@@H](O)c3cccs3)N2Nc2ccccc2)C1=O 165937557 HHGFBSIGSSWGQP-TXCZRRACSA-N 369.446 2.032 0 1 FEAF COc1ccccc1N1CCN(CCCCNC(=O)c2cccn2C)CC1 13740992 XHLOXZYQANKFHG-UHFFFAOYSA-N 370.497 2.366 0 1 FEAF CCc1nn(C)c2c1CN(c1ncnn3c(C)nc([C@H]4CCCO4)c13)CC2 169711712 OOUJQFNVHVUXJQ-MRXNPFEDSA-N 367.457 2.143 0 1 FEAF C[C@@H]1O[C@]2(C[C@H](O)[C@@H]1C)O[C@@H]([C@H](C)C=CC=CC(=O)O)[C@@H](C)[C@H](O)[C@H]2C 2356327689 GYTVZXLCIFKWMV-LVMKFARWSA-N 368.470 2.354 0 1 FEAF Cc1ccccc1NC(=O)c1cnc2sc(N3CCCC3)nn2c1=O 8603310 UWVOEVDVDSMSOP-UHFFFAOYSA-N 355.423 2.312 0 1 FEAF O[C@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)N2NC(c3ccccc3)=CC2=N1 104008179 MHFRIPZLAUONFE-NWDGAFQWSA-N 367.249 2.152 0 3 FEAF COc1ccccc1C(=O)N1C[C@@H](F)[C@H](OCc2nc3cccnc3[nH]2)C1 2356302465 WCXKIMRYEWPEOW-CZUORRHYSA-N 370.384 2.346 0 1 FEAF N[C@@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](CSc4ccccc4)C3)c[nH]c21 28465219 XVSWVJFTPOVCJR-DDUZABMNSA-N 357.483 2.011 0 1 FEAF NC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccco2)O3)c1 61925726 IDXYISZFHFSHMZ-KRWDZBQOSA-N 363.373 2.060 0 3 FEAF CC(C)n1cc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)c2ccccc21 23374634 DFSJDKHBFXHVOY-FGZHOGPDSA-N 370.541 2.405 0 1 FEAF CCN(CC)CCN1CCN(c2cncc(-c3cccc(N)c3)n2)CC1 61908691 ZRCOOOGILXCCCK-UHFFFAOYSA-N 354.502 2.190 0 3 FEAF COc1cc(O)c2c(c1)[C@@]13CCN4CC[C@@H](C[C@H]1N2C(C)=O)C1=CCO[C@]143 2356423396 XORSOONLULVOCT-PMVWVRLTSA-N 368.433 2.156 0 1 FEAF CN1CC[C@@]23C(=O)C[C@H]4C(=CCOC5=CC(=O)N(c6ccccc62)[C@H]3[C@H]54)C1 2356430208 PKPARRIYUZPZFV-SVWBVHECSA-N 362.429 2.034 0 1 FEAF C[C@@H]1C(=O)[C@H](O)[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]1(O)CCc1ccoc1 2356443459 MWRCOENTYGAOSI-HMXDEKLRSA-N 350.455 2.326 0 1 FEAF CS(=O)(=O)c1ccc2c(c1)nc1n2[C@H](CNC2CCCCC2)COC1 2356448079 OGYJJNHCYDBUFB-CQSZACIVSA-N 363.483 2.433 0 1 FEAF CCC(=O)COc1cc(N)c(Cl)cc1C(=O)NCCN(CC)CC 29339604 DDCPQGNTWWVLGM-UHFFFAOYSA-N 355.866 2.352 0 1 FEAF CNC[C@H]1Oc2ncc(C3=CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95734261 CJMPJSHSWXOPJR-ZRGWGRIASA-N 373.497 2.479 0 1 FEAF COc1ccc2c(c1)-c1c(ccc3nc(C(=O)O)cc(O)c13)S2(=O)=O 148666867 HPUDKXUBHWLOPB-UHFFFAOYSA-N 357.343 2.460 0 1 FEAF CCCNC(=O)N(Cc1cccnc1)C[C@H]1N[C@H](CO)[C@@H]1c1ccccc1 95668235 XOSRJLRYQHSFFK-VAMGGRTRSA-N 368.481 2.120 0 1 FEAF COC1=CC2=C(O)C(=O)N3c4ccccc4C(=O)N4CCC[C@@H]4[C@H]3N2C=C1 85647003 FTKBEAYOJYGZKC-QAPCUYQASA-N 365.389 2.107 0 1 FEAF biogenic COc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(Cl)c1O 587045953 KHIITBLCECWSPT-UHFFFAOYSA-N 353.787 2.245 0 1 FEAF Oc1cccc([C@@H](O)c2nc3cc(I)cnc3[nH]2)c1 586888179 BOUVLGBOHBNKBP-LLVKDONJSA-N 367.146 2.350 0 1 FEAF Cc1cc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c(C)n1 586942640 OJUPDWMWOPNRGQ-UHFFFAOYSA-N 365.846 2.144 0 1 FEAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccnc(O)c2[nH]1 587259857 NKDDLRYFAHAJHT-ZDUSSCGKSA-N 355.398 2.370 0 1 FEAF COc1cccnc1Cn1ccc2nc(N)nc(NCc3cc(C)on3)c21 1772606467 IEFMSURTOUNQEP-UHFFFAOYSA-N 365.397 2.374 0 1 FEAF N[C@H](C[C@H](Cc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)O)C(=O)O 13491593 IUIVIIQBSBMTMS-XJKSGUPXSA-N 371.393 2.376 0 1 FEAF CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCCCc1ccccc1 13492508 LOOQRWJXBHMFCJ-SFHVURJKSA-N 361.486 2.192 0 1 FEAF CN1C(O)=C(C(=O)Nc2ccccn2)c2cc(Cl)ccc2S1(=O)=O 13605528 JUIGTVUIIIATCC-UHFFFAOYSA-N 365.798 2.234 0 1 FEAF CC[C@@]12CC(C(=O)OC)=C3Nc4cc(O)ccc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24 14719363 HILHZMSRHLWRBI-KXEYLTKFSA-N 368.433 2.138 0 1 FEAF biogenic,in-vitro COc1c(OC/C=C(\C)C[C@@H]2C=C(CO)C(=O)O2)ccc2ccc(=O)oc12 15212029 HACQBASUCUIDNQ-CUXKMMBLSA-N 372.373 2.361 0 1 FEAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1cnc2ccccc2c1 1857756771 VHYLFPSHGSOCMG-KRWDZBQOSA-N 352.394 2.182 0 1 FEAF OC[C@H]1O[C@@H](n2c(SCc3ccccc3)nc3sncc32)C[C@@H]1O 27860543 YLZQALOGHSJXSM-BFHYXJOUSA-N 363.464 2.426 0 1 FEAF C[C@H](c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(CCO)CC1 26296391 QYBDNKCNIXORPK-QGZVFWFLSA-N 374.506 2.190 0 1 FEAF Cc1ccc(S(=O)(=O)c2n[nH]c3cc(N4CCNCC4)ccc23)cc1 64436544 HACUZCXCVMCHQD-UHFFFAOYSA-N 356.451 2.114 0 1 FEAF in-vivo CC1=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2C(OC(=O)[C@@](C)(O)[C@@H](C)O)=C1 2356535470 AONXWGJPUIDGFP-FWBKQUHXSA-N 364.438 2.409 0 1 FEAF CC=C1CCN2CC[C@@]34c5ccccc5N(C)[C@@]23C(=O)[C@H]1[C@@H]4C(=O)OC 2356726869 YYLPGHZHHLOGDL-JYWFKMLOSA-N 352.434 2.114 0 1 FEAF CC[C@@H](C)[C@H](C(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1)n1cnnn1 2356765606 DEFVEYRTGZLBEO-KZULUSFZSA-N 368.441 2.335 0 1 FEAF COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@@H]2NC(C)=O 20464628 FAKHGLDEZGNTPR-FVCZOJIISA-N 368.518 2.001 0 1 FEAF biogenic CCC[C@@H]1Oc2ccc(-c3cncnc3)cc2[C@@]2(COC(N)=N2)C12COC2 149319279 XGNRRAYBEHJJDH-PXNSSMCTSA-N 366.421 2.262 0 1 FEAF COc1ccc(S(=O)(=O)Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 586921111 XZUQVHYDWHTPRL-UHFFFAOYSA-N 364.354 2.383 0 1 FEAF CN1CCN(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587593547 KEWSBEFOHZXDQX-NQIIRXRSSA-N 368.433 2.360 0 1 FEAF CCc1cc(O)nc(SCc2nc3nc(Br)c[nH]c-3n2)n1 586967327 XSDPFGXTLZWIFZ-UHFFFAOYSA-N 367.232 2.417 0 1 FEAF O=C1C[C@](c2ccc3c(c2)OCO3)(C(O)O)Oc2c1ccc1c2CCCC1 587535990 PSUVHDIAVWDAHW-NRFANRHFSA-N 368.385 2.466 0 1 FEAF COC(=O)Cn1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 587517155 IAXHDZBSWFSFNG-LJQANCHMSA-N 355.394 2.211 0 1 FEAF COc1cc(OC)c2c(c1)[C@@]13C[C@H]4[C@@H](COC1=N2)[C@@H]1C[C@@H]3N4C/C1=C\CO 1772618801 JHEWUOHZDCTKBI-LDTCBTGYSA-N 368.433 2.027 0 1 FEAF C[C@@H]1C[C@H]2C(=O)C(C)(C)[C@@H](O)CC[C@]2(O)[C@]1(C)CCC1=CC(=O)OC1 169348823 LEZWSCIWQQGIDL-DMIHOJOZSA-N 350.455 2.393 0 1 FEAF CO[C@H]1CCN(C(=O)C2CCN(c3cnccc3-n3cc(C)cn3)CC2)C1 1857578124 AUAPUVFRLZVNNC-KRWDZBQOSA-N 369.469 2.039 0 1 FEAF CC(=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@H](O)C2=O)CO 2356406986 MSWOYPGTQZJKQY-WOJBJXKFSA-N 372.373 2.093 0 1 FEAF Cn1c(CO[C@@H]2CN(C(=O)c3cccnc3)C[C@H]2F)nc2ccccc21 2356330569 SXTAQFXYQGWQRZ-RHSMWYFYSA-N 354.385 2.348 0 1 FEAF CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc(F)c4)c3c2)CC1 64447576 VBHJSCJOUYCRKP-UHFFFAOYSA-N 374.441 2.287 0 1 FEAF Nc1c(Cl)cc(C(=O)N[C@H]2CCN3CCC[C@@H]2C3)c2nsnc12 27523754 UMHNYWDDWJWNHJ-KCJUWKMLSA-N 351.863 2.141 0 1 FEAF COCCNC(=O)[C@]1(C)CCCN(Cc2ccc(-n3ccnc3)cc2)C1 61896846 SBYWQKJEHAEZKW-HXUWFJFHSA-N 356.470 2.237 0 3 FEAF O[C@H]1CCN(Cc2nc(C3(O)CCN(Cc4ccccc4)CC3)cs2)C1 2356422983 LMAAJCQITGOIJL-KRWDZBQOSA-N 373.522 2.193 0 1 FEAF OCCS[C@@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@@H]1O 2356534982 VKKARASAKMNKCK-GVDBMIGSSA-N 350.392 2.065 0 1 FEAF COc1c(C)c2c(c(OC)c1CC=C(C)[C@H](O)CC(=O)O)C(=O)OC2 2356578786 FLHIJSDWAVXPEH-CYBMUJFWSA-N 350.367 2.007 0 1 FEAF C[C@@H]1C[C@]23C(=O)O[C@]2(C)CCCC[C@@H]3[C@]1(CO)CCC(=CCO)CO 2356690084 LWJPKBGAFAPXRA-ZTTMTSROSA-N 352.471 2.188 0 1 FEAF COc1ccc2c(c1OC)O[C@@H]1COc3cc4c(cc3[C@@H]1[C@@H]2O)OCO4 2356714017 YYFWIFCWNZFLJJ-IXDOHACOSA-N 358.346 2.403 0 1 FEAF O=C1C[C@]23CCN(CC4CC4)[C@H]4C[C@@H](O)[C@H]1C[C@@]42Cc1ccc(O)cc13 195390261 LOXFETCCXNYJIL-GKADJBRLSA-N 353.462 2.401 0 1 FEAF CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccccc1F 95895404 ATRGBFQTEIUFSL-UFYCRDLUSA-N 370.424 2.273 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299884520 TYKANTMROQEWMF-WSFAEYKOSA-N 366.502 2.159 0 1 FEAF CCOc1ccccc1[C@@](N)(c1nc2cnnc(O)c2[nH]1)C(F)(F)F 587092961 PKRUZIXHJWAOQF-CQSZACIVSA-N 353.304 2.222 0 1 FEAF CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1CC(=O)O 587517069 GMSFIZNZVLXABX-FQEVSTJZSA-N 355.390 2.490 0 1 FEAF O=C(Nc1ncnc2c1cnn2CCN1CCCCC1)NC1CCCC1 143203015 DEJCRFGJELJEKJ-UHFFFAOYSA-N 357.462 2.376 0 1 FEAF CC1(CNC(=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)COC1 166852263 GAJKKWPPUFCDON-UHFFFAOYSA-N 366.421 2.396 0 1 FEAF COC(=O)[C@]1(O)C[C@@]23CCCN4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 2356437669 BAYILHHYJWNJCS-JOZSIVFUSA-N 354.450 2.045 0 1 FEAF Oc1ccc2c3c1O[C@H]1c4[nH]ccc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100813642 AVZPNFQSUXLGJJ-IDZYALCFSA-N 364.445 2.419 0 1 FEAF CCCSc1ccc2ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc2c1 28825538 AJFSMBINKCQYOP-XDNAFOTISA-N 350.436 2.160 0 1 FEAF CCC[C@]1(Cc2cc(OC)c(OC)c(OC)c2)C(=N)NC(=S)NC1=O 103169223 PBNNGMYUPPYEFX-KRWDZBQOSA-N 365.455 2.023 0 1 FEAF N[C@@H](Cc1ccc(O)cc1)C(=O)NC12C[C@H]3C[C@@H](CC(CC(=O)O)(C3)C1)C2 101051312 BIXHAIBPQDHKQP-QWIBNBTQSA-N 372.465 2.192 0 1 FEAF CC(=O)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@@H]2C(C)=O)c1 27521895 HZQGXJIOPZJAHL-HDICACEKSA-N 356.422 2.074 0 1 FEAF O=C(O)/C=C/c1ccc2c(c1)O[C@H](c1cc(O)cc(O)c1)[C@H](C(=O)O)O2 73240659 DCEUKJMFFBNQJQ-HTYNWGMWSA-N 358.302 2.161 0 1 FEAF CC(C)(O)/C=C/C=C1/COC(=O)[C@@H]2[C@@H]1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O 139311507 RYJGTWUENJOFBS-JOYIEINOSA-N 350.455 2.105 0 1 FEAF Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4nccs4)CC3)cc21 40430421 YAEBAGQXQTYVGW-UHFFFAOYSA-N 370.434 2.020 0 1 FEAF N[C@@H](CNc1nccc(-c2ccncc2)n1)[C@H](O)c1c[nH]c2ccccc12 45351500 RZLJWZSSEDKFDQ-QFBILLFUSA-N 360.421 2.493 0 1 FEAF O=C(NCCNC(=O)c1ccccc1)C(=O)c1c[nH]c2cccc(F)c12 45262063 LKZAANXMEPZBHR-UHFFFAOYSA-N 353.353 2.036 0 1 FEAF CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1[C@H]2O)OCO4)OCO3 238771475 AKCAVBOVRWGORC-WOJBJXKFSA-N 353.374 2.117 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)O[C@@]3(O)C[C@@H]12 238758692 IJGXECQJMLLVLT-HFMZUOMWSA-N 364.438 2.243 0 1 FEAF COCC(=O)N1CC(=O)c2sc(Nc3ccc(F)cc3F)nc2C1 299850216 PSQLYMBGKJAZKG-UHFFFAOYSA-N 353.350 2.336 0 1 FEAF COc1cc2c3c(c1)O[C@](c1ccc(O)c(OC)c1)([C@H](C)O)[C@@H](C2)C3=O 587445033 YVVGXOYKIBBVSK-YOKVUHJFSA-N 356.374 2.433 0 1 FEAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cnncc2[nH]1 586936947 OJDUMGQVDWGWNH-LBPRGKRZSA-N 363.468 2.126 0 1 FEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc3c(cc2[nH]1)OCCO3 586951745 XNBHJAPGLVSAKT-UHFFFAOYSA-N 366.424 2.138 0 1 FEAF N[C@H](N=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 958568027 RCBAOQSDCXKPMH-HUUCEWRRSA-N 367.814 2.348 0 1 FEAF Cc1ccc(Nc2nc3[nH]ncc3c(=O)[nH]2)cc1I 13518238 CJJRXZGFMZQOFX-UHFFFAOYSA-N 367.150 2.303 0 1 FEAF COC(=O)[C@H]1C[C@]23CCCN4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 17353450 XGYZDZNXCXHGBV-RESYIPQXSA-N 366.461 2.481 0 1 FEAF O[C@@H]1[C@@H](NCC2CCCCC2)[C@H]2CO[C@@H](O2)[C@@H]1n1cnc2ccccc21 2356296342 LSDONWDSZCOZBK-IVDHNXQLSA-N 357.454 2.232 0 1 FEAF CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1ccccc1C 103227200 XJIDLLKCKDJEFK-VQFNDLOPSA-N 359.470 2.181 0 1 FEAF C[C@@H](CN1CCCCC1)OC(=O)[C@H]1CCCCN1C(=O)C(=O)C(C)(C)C 25967923 PCLCTMUJJXNFHF-JKSUJKDBSA-N 366.502 2.400 0 1 FEAF C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356433372 ICLJUDISOCRJDM-GVLRPPATSA-N 352.515 2.473 0 1 FEAF CN1CCc2cc3c(cc2[C@@H]1[C@@H]1C(=O)Oc2c1ccc1c2OCO1)OCO3 33301107 WOVXPYHYEFOEAW-IAGOWNOFSA-N 367.357 2.376 0 1 FEAF Nc1ccc(F)cc1NC(=O)c1ccc2nc(N3CCNCC3)cnc2c1 219019393 IFCAKVWDUIGRRP-UHFFFAOYSA-N 366.400 2.013 0 1 FEAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(=O)N(C)C)ns2)n1 72124977 BBUUVNPPIGNPRG-UHFFFAOYSA-N 368.426 2.330 0 1 FEAF Cn1c(OC[C@H]2CCN(c3ccsc3)C2)nc(-c2ccncn2)cc1=O 149419285 SSJLOQGQVAAUSL-ZDUSSCGKSA-N 369.450 2.204 0 1 FEAF CCCOCCNc1nc(N)[nH]c2nc(=O)c(-c3ccc(F)cc3)cc1-2 653918570 AIEHBHUJZLKPMO-UHFFFAOYSA-N 357.389 2.497 0 1 FEAF CCOC(=O)C(=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798931 QCCDADOIDMEJQY-AYVTZFPOSA-N 358.207 2.470 0 1 FEAF CCCS(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587407648 BHGBMNWXXDUAFX-UHFFFAOYSA-N 352.456 2.117 0 1 FEAF COC(=O)[C@@H]1CNCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587797243 RJMCZJNDHJGVLI-SEFYAATASA-N 371.250 2.100 0 1 FEAF C[C@]1(O)[C@@H]2C[C@@H]3C[C@H](C2)C[C@@H]1[C@]3(CC(=O)N1CC(O)C1)c1ccc(F)cc1 1772585919 GYOAVHNCAHIQFG-JLLRYLITSA-N 373.468 2.474 0 1 FEAF O=C(NCC1(O)CCCCC1)[C@@H]1CCC(=O)N(CCc2ccccc2)C1 12301168 LCCHJNXCPAHEPT-GOSISDBHSA-N 358.482 2.279 0 3 FEAF CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@H](CC)N2 169719751 WYHPLEBRFOHMGR-LJLKPOLSSA-N 371.485 2.495 0 1 FEAF COC(=O)[C@]12C[C@@H]3C[C@@H]([C@@H](C)O)[C@H]1N(CCc1c2[nH]c2ccccc12)C3 166945433 VGDQBNXQAOYMPS-QLFZFPEWSA-N 354.450 2.226 0 1 FEAF CN(c1ccc(O)cc1)[C@H]1NC(=O)/C(=C2/C(=O)Nc3ccccc32)S1 1857553023 KPFLVPXFCITRRP-KGUUONHRSA-N 353.403 2.338 0 1 FEAF C[C@](N=c1nc(-c2ccncc2)[nH]c2cnccc12)(C(=O)O)C(F)(F)F 1857553195 PYEVQSJFZMQBQW-HNNXBMFYSA-N 363.299 2.326 0 1 FEAF N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 100771150 QUASBPFEEGUFFV-KSZLIROESA-N 359.470 2.421 0 1 FEAF CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1C[C@@H]2CC[C@@H]1C2 103031805 IQHKHGHDPGFXAV-GYSYKLTISA-N 359.455 2.323 0 1 FEAF CNC[C@]1(C)CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27525358 JVGBUFVXUHXHCB-IBGZPJMESA-N 374.416 2.005 0 1 FEAF CN(CC1CCN(c2ncccn2)CC1)C[C@@H]1COc2ccccc2O1 27079728 LNKICWOWSGWZEK-QGZVFWFLSA-N 354.454 2.465 0 1 FEAF C[C@@H]1C[C@@]23C[C@@](C)(CCC[C@@H]2[C@]1(CO)CCC(=CCO)CO)OC3=O 2356532715 UWTGBDCCWCEIBB-TVFZMDHNSA-N 352.471 2.188 0 1 FEAF CC1=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2C(OC(=O)[C@@](C)(O)[C@H](C)O)=C1 2356535471 AONXWGJPUIDGFP-LTOAOAETSA-N 364.438 2.409 0 1 FEAF CC(=O)c1ccccc1NC(=O)CCN1CCN(c2ccccn2)CC1 29563606 VTGXFAHIBQKUMX-UHFFFAOYSA-N 352.438 2.435 0 1 FEAF O[C@@H]1CO[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@@H]1O 32063962 RKZHZMMVJLXJCY-OPRDCNLKSA-N 368.014 2.356 0 1 FEAF O=C(O)c1cn(Cc2ccc3[nH]c(=O)[nH]c3c2)c2cccc(F)c2c1=O 71341472 UULWIWYGCABLGS-UHFFFAOYSA-N 353.309 2.057 0 1 FEAF CCCNC(=O)N1[C@@H]2CN(C(=O)C3CCC3)c3ccccc3[C@@H]2[C@@H]1CO 95894677 BTEIESVCZNJFAA-SQNIBIBYSA-N 357.454 2.082 0 1 FEAF C/C=C(\C)C(=O)O[C@@H]1C/C(CO)=C/C[C@@H](O)/C(C)=C\[C@H]2OC(=O)[C@H](C)[C@@H]21 238752480 QQVBXEPCEBPLSG-XRTDFEGJSA-N 364.438 2.062 0 1 FEAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3nc(Cl)c[nH]c-3n2)cc1 587224219 HJPKRUOZCJVIOM-UHFFFAOYSA-N 374.788 2.456 0 1 FEAF CCCCNS(=O)(=O)c1ccc2nc(Cc3cccnc3N)[nH]c2c1 587254761 YFKGKCIAIRLUOW-UHFFFAOYSA-N 359.455 2.209 0 1 FEAF Cc1cc2c(cc1O)[C@]1(CCCc3[nH]c(C(=O)O)c(C)c31)N[C@H](C(=O)O)C2 963467770 HJXNIKIOPGITSA-XOBRGWDASA-N 370.405 2.214 0 1 FEAF COC(=O)[C@@H]1CSC[C@]12c1cc(OC)c(OC)cc1C[C@@H](C)N2C 962576294 SZWROOZKUIZUNZ-VZSAFFHGSA-N 351.468 2.312 0 1 FEAF Cc1cc(F)ccc1C/N=C(\O)c1nc2n(c(=O)c1O)CCOC2(C)C 35012450 FUAAWFQZWQTORD-UHFFFAOYSA-N 361.373 2.167 0 1 FEAF COc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(Cl)c1OC 1772641100 UZSAHIXLZZNXBT-BDJLRTHQSA-N 368.861 2.398 0 1 FEAF CCc1c(CC(N)=O)c2c(OCC(N)=O)cccc2n1Cc1ccccc1 13446091 IJQNAOGATLZALJ-UHFFFAOYSA-N 365.433 2.144 0 1 FEAF O=C(NC[C@@H]1CCOC1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166942113 NMCYAUBBAQOWDP-AWEZNQCLSA-N 366.421 2.396 0 1 FEAF COc1cccnc1CN(CCCCN)C[C@H]1Cc2ccccc2CN1 1857750284 KSGXRLWGAKPKPI-LJQANCHMSA-N 354.498 2.346 0 1 FEAF Cc1nnc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 101619826 ZYECGCRLWLBAIN-JURCDPSOSA-N 374.466 2.153 0 3 FEAF aggregator CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@@H]2CC[C@@H]1C2 101596113 UTCQOVZSZNFTKB-LALPHHSUSA-N 373.482 2.365 0 1 FEAF O=C(N[C@@H]1CCCN(Cc2ccc3c(c2)OCO3)C1)c1cc(O)cc(O)c1 28461540 XKQVTWGFVGCWSC-OAHLLOKOSA-N 370.405 2.221 0 1 FEAF CCOC(=O)c1cn(Cc2cn[nH]n2)c2cc(Cl)c(F)cc2c1=O 73294275 SKWRQKGZAVUJPY-UHFFFAOYSA-N 350.737 2.137 0 1 FEAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]23C(=O)O[C@@](C)(O)[C@H]2CC[C@]13O 255209096 FFZQIXTWKFKKBC-WPDTUFHRSA-N 364.482 2.367 0 1 FEAF C[C@@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)C=C(c2ccccc2F)NO1 587157884 VBSFLRJKXZSULJ-SFHVURJKSA-N 363.356 2.469 0 1 FEAF COc1cc(C)c(N)c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 587249405 KVJWVIKTEIYJCX-UHFFFAOYSA-N 360.439 2.379 0 1 FEAF CN(Cc1nc2c(Cl)ncnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929348 UDHDTJWAIREBPH-UHFFFAOYSA-N 372.237 2.480 0 1 FEAF CC(C)[C@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccccc1 13531173 IVWRLWQWZWPVSZ-QGZVFWFLSA-N 362.451 2.408 0 1 FEAF O=C1C=CC[C@H](/C=C/C[C@H](O)C[C@@H](O)C[C@@H](O)/C=C/c2ccccc2)O1 14947607 HDJDRGQCGAWPGK-KUSHCJQLSA-N 358.434 2.381 0 1 FEAF biogenic,in-vitro CC1CCN(C(=O)CSc2nc(=O)n3cc(Cl)ccc3n2)CC1 4504235 RCTURTPPJDQZJT-UHFFFAOYSA-N 352.847 2.094 0 3 FEAF CC(C)CC(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3cnccc3[nH]2)C1 2356379519 XSKWMUNLHBYWNB-ZIAGYGMSSA-N 358.442 2.486 0 1 FEAF CCNC[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 103282742 YFCDAUMMCVCLEJ-ZDUSSCGKSA-N 355.438 2.470 0 1 FEAF CC(C)NC(=S)SC[C@](O)(Cn1cncn1)c1ccc(F)cc1F 103264658 RSJRFSNXHMAYNT-OAHLLOKOSA-N 372.466 2.460 0 1 FEAF COc1cc([C@H](N)c2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC 58576548 GCDRFLKFYBYDQC-INIZCTEOSA-N 369.425 2.177 0 1 FEAF COc1cccc(C(=O)NCN2CCC(c3cccc[n+]3[O-])CC2)c1C 38149978 XYDAZYYNABDKSL-UHFFFAOYSA-N 355.438 2.204 0 1 FEAF CC[C@H](C)NC(=O)c1cnc(NCCNC(C)=O)nc1-c1ccccc1 82133590 RGQMMFMNZRQHGQ-ZDUSSCGKSA-N 355.442 2.220 0 1 FEAF CC(C)(O)[C@@]1(O)C=C2[C@@H](O)C[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1 238745373 RSKXVFWGGCGVMM-LUCRAQOWSA-N 352.471 2.487 0 1 FEAF Cn1c(OC2CCN(c3ccccc3)CC2)nc(-c2ccncn2)cc1=O 146511278 CMHOMNZMGSNVFT-UHFFFAOYSA-N 363.421 2.285 0 1 FEAF COC[C@H]1CCCN1c1ccc2c(c1)OCCCN(C1CC1)S2(=O)=O 96019198 FZXJPWJDQAALIN-MRXNPFEDSA-N 366.483 2.237 0 3 FEAF COC(=O)[C@@]12CCCC=C1CN1C(=O)Cc3cc(OC)c(OC)cc3[C@H]12 85951086 FKYQOSNSDKCQHQ-ICSRJNTNSA-N 357.406 2.413 0 1 FEAF biogenic COc1nc(-c2ccc(N(C)C)nc2)nc(=NCCc2ccc(F)cc2)[nH]1 473162842 QSILUSAQXPJZFY-UHFFFAOYSA-N 368.416 2.224 0 1 FEAF COC1=COC(CO)=C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617983 SCOVWJPFWOWWEP-FXAWDEMLSA-N 368.341 2.487 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CCO[C@H]2C3)N1 587795932 YULIVXUCQOTHJI-NKFCBESUSA-N 355.251 2.422 0 1 FEAF COC(=O)[C@@H]1CNCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587791503 GBFBRCSDNYHZPQ-ABYOOWDOSA-N 371.250 2.100 0 1 FEAF O=C(NCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 13534206 ARNGHJQKGZGVCU-APWZRJJASA-N 352.425 2.425 0 1 FEAF C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccn2)cc1)C(F)(F)F 13760234 XKQUHPOBIFXEAQ-AWEZNQCLSA-N 374.340 2.166 0 1 FEAF CCCCNC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1ccccn1 169340091 GVCJKZABNJIJKD-LJQANCHMSA-N 353.422 2.460 0 3 FEAF CCn1ncc(C2=NO[C@H](C(=O)Nc3ccccc3C(=O)OC)C2)c1C 4104240 QXCMRVUGCPGZBQ-INIZCTEOSA-N 356.382 2.130 0 3 FEAF O=C1CSC(=O)N1CCCCN1CCN(c2noc3ccccc23)CC1 27194942 SVJLSFJRDLENER-UHFFFAOYSA-N 374.466 2.425 0 1 FEAF CO[C@H]1O[C@@H](OC)C2=C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@]21O 2356503733 QWSNLCYZUAVRFO-MYBOQGECSA-N 354.443 2.397 0 1 FEAF CN1CCC(Cc2noc(-c3cn(Cc4ccc(F)cc4)nn3)n2)CC1 72171536 OMVQIPBLBJXMDJ-UHFFFAOYSA-N 356.405 2.400 0 1 FEAF CN(CC(=O)OCCN)C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085746 CWEZGCKLBHJIPS-UHFFFAOYSA-N 353.378 2.069 0 1 FEAF O=c1cc(-c2ccccc2)oc2cc(OCCN3CCNCC3)cc(O)c12 45354640 CVHNMBUBVLEZOT-UHFFFAOYSA-N 366.417 2.450 0 1 FEAF COc1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1 141733175 XKZVXCRVOZVFAS-UHFFFAOYSA-N 362.474 2.222 0 1 FEAF O=C([C@@H]1COCCO1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659980 LRKGYNPMJINNFB-INIZCTEOSA-N 354.337 2.258 0 1 FEAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586937900 GXOJWUHYWMAPJJ-SNVBAGLBSA-N 362.459 2.028 0 1 FEAF O=C1c2ccc(O)cc2O[C@@]2(C=C(CO)OCC2=O)[C@@H]1c1ccc(F)cc1 587355897 GVLLPWIKKJBZKX-UYAOXDASSA-N 370.332 2.105 0 1 FEAF CS(=O)(=O)Nc1ccc(-c2cncc(/C=C3\SC(=N)NC3=O)c2)cc1 95755624 AGHDPPGOJJYURV-AUWJEWJLSA-N 374.447 2.259 0 1 FEAF COc1ccc(C(=O)C2=NO[N@]3O[C@]23C(=O)c2ccc(OC)cc2)cc1 1857624283 FVQGMXXUZFHDKN-ICSRJNTNSA-N 354.318 2.014 0 1 FEAF CS(=O)(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1 3956368 QVARYWDKXVHWHK-INIZCTEOSA-N 355.435 2.105 0 1 FEAF CCCCOc1cc(-n2nnc3c(cnn3C)c2=O)c(F)cc1Cl 103287036 YGANLYRQXXMNJF-UHFFFAOYSA-N 351.769 2.486 0 1 FEAF COc1cc(CC(=O)NC[C@@H](COC(C)=O)Cc2ccccc2)ccc1O 26747220 SDBDAJZONYAZGT-SFHVURJKSA-N 371.433 2.482 0 1 FEAF O=C(Nc1ccc(Cl)cc1)c1noc2ncnc(N3CCOCC3)c12 21540277 FKSMXMNVHBPORV-UHFFFAOYSA-N 359.773 2.360 0 1 FEAF CN(C(=O)OC(C)(C)C)[C@H](CCCCNC(=O)C(F)(F)F)C(=O)O 2356822834 GGCKKDDNIMDFDY-SECBINFHSA-N 356.341 2.155 0 1 FEAF N=C(Nc1cccc(C(N)=O)c1)NC1CCN(Cc2ccccc2)CC1 45497672 OIRJUHKLTOWOPK-UHFFFAOYSA-N 351.454 2.386 0 1 FEAF Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCCc1ccc(F)cc1 82203701 JNECNPZGLFBCGK-UHFFFAOYSA-N 357.433 2.280 0 1 FEAF CN(C)CCCn1ccnc1C1CCN(c2cccc(C(=O)O)n2)CC1 95371712 CHXWVRWGYJGMBP-UHFFFAOYSA-N 357.458 2.312 0 1 FEAF O=C1c2ccc(-n3cc(CO)c(C(F)(F)F)n3)cc2OC[C@@H]2CCCN12 473118871 LUJVAHFEERSVPS-LBPRGKRZSA-N 367.327 2.380 0 1 FEAF C[C@@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1cc(Cl)cn1 587081531 BOPNBJHNQVYVHN-VIFPVBQESA-N 353.835 2.272 0 1 FEAF N[C@@H](CP(=O)(O)O)c1nc2cc(Cl)cc(Br)c2[nH]1 586923635 WNZXRTXOIJGBEO-LURJTMIESA-N 354.528 2.156 0 1 FEAF CCOc1n[nH]c2cc(NC(=O)N[C@@H]3CCN(CC(F)(F)F)C3)ncc12 1772649702 RPMFELSNKGHLTO-SECBINFHSA-N 372.351 2.115 0 1 FEAF CC1(C)C[C@](O)(c2cncc(-c3cnc4c(c3)CCN4C(N)=O)c2)CCO1 1772653165 IRQXPMLQSHNHOR-FQEVSTJZSA-N 368.437 2.361 0 1 FEAF C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@](CO)(C(=O)OC)[C@@H]1CC2 14715171 MBXJCHZRHROMQA-YVDMJPQFSA-N 354.450 2.395 0 1 FEAF CC1(C)Cc2n[nH]c(=O)c3cccc4c3c2c(n4CCN2CCOCC2)C1 150197463 HAKHQKGUIQODNS-UHFFFAOYSA-N 366.465 2.335 0 1 FEAF O=C(O)c1cn(Cc2ccc(N3C(=O)C=CC3=O)cc2)c2ccccc2c1=O 169352847 XXZQCNWFHCKCOQ-UHFFFAOYSA-N 374.352 2.177 0 1 FEAF O=C(CN1C(=O)c2ccccc2C1=O)OC[C@H]1CCCN2CCCC[C@H]12 1650226 GJCQCBQSFMXFTI-RHSMWYFYSA-N 356.422 2.090 0 1 FEAF O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NC1CCCC1 4101918 KSSXLSUPGCLXLO-UHFFFAOYSA-N 366.468 2.212 0 3 FEAF O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCCN1CCCCC1 6782320 JGIQQUJCIXVJNP-UHFFFAOYSA-N 366.465 2.246 0 3 FEAF C[C@@H]1C[C@@H]2O[C@H](O)[C@@H]3CCC[C@H]([C@]14C[C@@H](c1ccoc1)OC4=O)[C@]23CO 2356474671 BHFWXYKMRNUVDQ-YBNFKVHZSA-N 362.422 2.406 0 1 FEAF Cc1cccc(OCC2(CNCc3ccc(F)cc3)C[C@H](O)[C@@H](O)C2)n1 2356730925 QATHUZXZDXKAMM-ROUUACIJSA-N 360.429 2.200 0 1 FEAF C[C@H](Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CCCC1 49046125 IZWYGEMCEQMIQA-GFCCVEGCSA-N 370.409 2.180 0 1 FEAF C[C@@H]1OC=C(C(=O)O)[C@H]2C[C@H]3N(CC[C@]34Nc3ccccc3C4=O)C[C@@H]12 95909400 XJBQLDFXLQMHKY-OJUUAERYSA-N 354.406 2.131 0 1 FEAF biogenic,in-vitro CCN1CC[C@]2(C(=O)N(C)C)CCN(C(=O)Cc3ccccc3)CC[C@@H]12 299843146 NBALBONKZRIFAA-NQIIRXRSSA-N 357.498 2.020 0 1 FEAF O=c1c2ccnnc2ncn1Cc1nc(CCc2ccc(Cl)cc2)no1 653728727 XGOIBVXKMMOVSQ-UHFFFAOYSA-N 368.784 2.056 0 1 FEAF N[C@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccccc1Cl 587058676 ICCFGWNIGNGETI-GFCCVEGCSA-N 350.831 2.106 0 1 FEAF O=C(O)[C@@H]1C[C@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345718 GJDMOFALDDORLW-KNBMTAEXSA-N 371.364 2.466 0 1 FEAF N=C(N)c1ccc(CNC(=O)[C@H]2CCCC=C2C(=O)N2CCCCC2)cc1 13493961 FLBLJJYXOCGREY-KRWDZBQOSA-N 368.481 2.326 0 1 FEAF CC(=O)N1CCOc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc21 15941882 UEVSIWKXCVMUAD-BETUJISGSA-N 352.456 2.099 0 3 FEAF COc1ccc(-n2c(N3CCN(C)CC3)nc3cc(F)ccc3c2=O)cc1 1857551092 YKXWTUJCWBZVDN-UHFFFAOYSA-N 368.412 2.285 0 1 FEAF CC1CCN(C2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)CC1 1857597680 YCTNQZQYWKEYOQ-UHFFFAOYSA-N 366.483 2.300 0 1 FEAF CN1C(=O)[C@@H]2C=C[C@H]([C@@H](O)c3cccs3)N(Nc3ccccc3)[C@H]2C1=O 1857598130 HHGFBSIGSSWGQP-MUIFIZLQSA-N 369.446 2.032 0 1 FEAF O=C(CCSc1nc2cc(Cl)ccc2o1)N1CCS(=O)(=O)CC1 1857599645 BJRCJJBRVBEWON-UHFFFAOYSA-N 374.871 2.220 0 1 FEAF FC(F)(F)CNCCCNCCCCNCCCNCC(F)(F)F 13603056 BWFFJKUUEUOBNI-UHFFFAOYSA-N 366.394 2.030 0 1 FEAF CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC(C)C)CC1 4687844 JVAQRARXFSPIIN-UHFFFAOYSA-N 361.552 2.082 0 1 FEAF O=C1NC(=O)C(c2c3n(c4ccccc24)C[C@H](CO)C3)=C1Nc1ccccc1 103204145 JEYIVUACXGJPOA-CYBMUJFWSA-N 373.412 2.286 0 1 FEAF Oc1ccc2c(c1)O[C@H]1C[C@]1(N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O 100766058 CWBWGMHWJFBEAL-IRFCIJBXSA-N 371.408 2.452 0 1 FEAF O=C(O)c1cn(C2CC2)c2cc(N3CCN4CC[C@@H]3C4)c(F)cc2c1=O 27727595 BFAZGNGCIZWHRT-GFCCVEGCSA-N 357.385 2.068 0 1 FEAF CNC(=N)N1C=CC[C@@]23[C@H]4CC[C@@](C)(CC[C@H]12)[C@]31C[C@@H](O)C(C(=O)O)=C1C4 2356769255 ZPRPKJYNUBYLDB-KLIVLPCESA-N 371.481 2.461 0 1 FEAF CC(C)COC(=O)N1CCCC[C@H]1c1cc(C(=O)N2CCOCC2)no1 61929516 SXRKIFFGKQRXMR-HNNXBMFYSA-N 365.430 2.467 0 3 FEAF C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccccc3)c(=O)n21 82210794 CRFPMGHCJIMNGE-ZDUSSCGKSA-N 352.394 2.250 0 1 FEAF CCc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1 82152092 SCVWZSCVSFMXEU-UHFFFAOYSA-N 355.419 2.109 0 1 FEAF O[C@](Cn1cncn1)(Cn1nnc2cc(F)ccc21)c1ccc(F)cc1F 49808314 REOPSFUNNPFPIR-QGZVFWFLSA-N 374.326 2.028 0 1 FEAF COc1cc2c(cc1O)[C@@H]1O[C@@H](O)c3c(ccc4c3OCO4)[C@H]1NCC2 95911263 NFGXPXULMFBCLB-ZIFCJYIRSA-N 357.362 2.079 0 1 FEAF biogenic,in-vitro COc1cc([C@H](O)[C@H](CO)Oc2ccc(CCCO)cc2C)ccc1O 238757073 PHIVNUJAJIMVQE-PMACEKPBSA-N 362.422 2.107 0 1 FEAF COc1ccc(C(=O)[C@@H]2CO[C@H](c3ccc(OC)c(O)c3)[C@H]2CO)cc1O 238749377 LJZCCAHBCMLGPF-LRDNONRASA-N 374.389 2.294 0 1 FEAF C[C@@H]1[C@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@H](C(O)O)[C@@H](C)[C@H]1C 261515186 DCVIOAHIQDCAHO-MKWJBBIUSA-N 364.438 2.257 0 1 FEAF in-man C[C@H]1OC=C2c3c(c4ccccc4n3C(=O)CO)CCN3C[C@H]1[C@H]2CC3=O 85831121 RBFOYRLZWHEUTR-DAXOMENPSA-N 366.417 2.054 0 1 FEAF biogenic Cc1cncc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12 587204369 XFEPCDXGHVUSCJ-ZDUSSCGKSA-N 354.366 2.188 0 1 FEAF Cc1nc(Br)sc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587013644 AILPFCCQCRTPJB-UHFFFAOYSA-N 373.257 2.405 0 1 FEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)cnc2[nH]1 586958326 IKYPVSJDPNLCGX-AWEZNQCLSA-N 352.803 2.080 0 1 FEAF O=[S@@](Cc1nc2cc(I)cnc2[nH]1)CC1CC1 586960515 VMFKKSCNVIZJHH-QGZVFWFLSA-N 361.208 2.221 0 1 FEAF CC(C)c1nn(C)c2c1[C@@](C)(c1ccc(S(C)(=O)=O)c(O)c1)NCC2 962923057 UIFYXVFDCANKSW-GOSISDBHSA-N 363.483 2.062 0 1 FEAF O=S(=O)(c1ccc(F)cc1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 169303806 PIONSLKGVXUVDT-OAGGEKHMSA-N 350.459 2.344 0 1 FEAF O=C(O)[C@H](Cc1c[nH]c2ccccc12)NCc1nnnn1C1CCCCC1 1857549430 FCRQFNXLKOONTK-KRWDZBQOSA-N 368.441 2.445 0 1 FEAF CCOc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccncc3)C(=O)C[C@H]12 1857758434 SICRJMNVLZDPID-HNNXBMFYSA-N 365.389 2.086 0 1 FEAF C[C@H]1CCCCN1CCNC(=O)CCS(=O)(=O)Cc1ccccc1F 4710373 WHJSXXWBLBHYCS-HNNXBMFYSA-N 370.490 2.121 0 1 FEAF COc1cccc(CNC(=O)c2nc(-c3cccs3)[nH]c(=O)c2O)c1 28820280 PJKDNTMTKFNHGD-UHFFFAOYSA-N 357.391 2.143 0 1 FEAF CCOC(=O)c1ccc(N2C(=O)C[C@H](Nc3ccc(O)cc3)C2=O)cc1 100485450 XKANEMCWKYZHTN-INIZCTEOSA-N 354.362 2.313 0 3 FEAF CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccccc1 58604030 FFXDJXODGVHMNL-INIZCTEOSA-N 373.478 2.445 0 1 FEAF COc1cc2c(cc1OC)C(=O)N1C=C(/C=C/C(=O)N(C)C)C[C@H]1C=N2 29326639 ISGIDZKNXXDJGF-GFUIURDCSA-N 355.394 2.163 0 1 FEAF Cc1nc2ncnn2c(O)c1NS(=O)(=O)c1ccc2ccccc2c1 20156416 ZGODACATKVVKQO-UHFFFAOYSA-N 355.379 2.092 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@]21C 2356692449 WKMBTXJFBQEZHO-NEIOYTPDSA-N 362.422 2.452 0 1 FEAF O=C1C=CC[C@H](C=CC[C@H](O)C[C@H](O)C[C@@H](O)C=Cc2ccccc2)O1 2356733938 HDJDRGQCGAWPGK-MUGJNUQGSA-N 358.434 2.381 0 1 FEAF NC(=O)c1ccc(N[C@@H]2CNCC[C@H]2c2ccc(F)cc2)c2cncnc12 143724639 QXQBUHCSEYQBBD-KBXCAEBGSA-N 365.412 2.425 0 1 FEAF CS(=O)(=O)N(CC(=O)Nc1ccc(F)nc1)c1ccccc1Cl 95561528 VEWWGCZVLGOMRV-UHFFFAOYSA-N 357.794 2.279 0 1 FEAF COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCCO)cc1 96286195 GFTAMXNPASWXKC-VZCXRCSSSA-N 354.362 2.102 0 1 FEAF NC(=O)Nc1sc(-c2ccccc2OC2CCNCC2)cc1C(N)=O 96932957 BXDIGQDHWUHRAU-UHFFFAOYSA-N 360.439 2.135 0 1 FEAF C=CS(=O)(=O)N1CCN(CCc2ccc(Br)cc2)CC1 618017538 NABYXVSEXPMIDB-UHFFFAOYSA-N 359.289 2.083 0 1 FEAF N#Cc1cccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCCC2)c1 43526980 QESACZJGXOUZSM-WSTZPKSXSA-N 367.497 2.486 0 1 FEAF biogenic OCCN1CCN(c2nc(Nc3cccc(O)c3)c3ccccc3n2)CC1 473085194 VREKGJXMPYIDLJ-UHFFFAOYSA-N 365.437 2.193 0 1 FEAF Cc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Cl 586939426 ONTFRXWJEMXLNZ-SECBINFHSA-N 353.835 2.298 0 1 FEAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccncc2)(c2ncc[nH]2)N1 963228089 MYGHRMAAYHNTPE-GHTZIAJQSA-N 371.400 2.244 0 1 FEAF CCCCN(C)S(=O)(=O)C[C@H]1C[C@@H](N(C)c2ncnc3[nH]ccc23)C1 1772643018 WGAJDNFRQOWUQD-OKILXGFUSA-N 365.503 2.234 0 1 FEAF CCn1ccnc1CNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 12299725 GTZCVECLIYFVBW-OAHLLOKOSA-N 358.417 2.097 0 3 FEAF O=C(c1cncs1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 12758531 SQBPGBOFDAVHDL-NSHDSACASA-N 371.509 2.035 0 3 FEAF C/C=C1\CN2CC[C@]34c5ccccc5N(C)[C@]23C(=O)C[C@H]1[C@H]4C(=O)OC 14829401 OVWZWXBYBKIZDC-BVCCNFKJSA-N 352.434 2.114 0 1 FEAF COc1ccc([C@@H]2[C@H](C(C)=O)C(=O)C(=O)N2c2nccs2)cc1OC 169688100 AOBWYIJNNZTAQF-UONOGXRCSA-N 360.391 2.023 0 1 FEAF O=C(NC[C@@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccsc1 775436 OQENSKCAWKCKGB-LLVKDONJSA-N 362.382 2.292 0 1 FEAF CC(=O)N[C@@H](CCCNCc1ccccc1)C(=O)NCc1ccccc1 1628892 FLBOTHDKXBBJME-FQEVSTJZSA-N 353.466 2.378 0 1 FEAF CCCNC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 2356289492 WKNMENDZUSXRCK-ZWOKBUDYSA-N 359.470 2.199 0 1 FEAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@@H]2CCOC[C@H]12 28525004 RCVWWPSJYZKVFU-RBUKOAKNSA-N 353.466 2.489 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C 86010733 YOQIGAVHLYFIAF-JXAZMFKOSA-N 364.438 2.243 0 1 FEAF in-man O=C(Cc1nc(-c2ccncc2)cc(=O)[nH]1)N1CCc2c(F)cccc21 147075329 YAPONISIEWMFHL-UHFFFAOYSA-N 350.353 2.103 0 1 FEAF CCc1c(-c2ccc(N3CC[C@](C)(CN)C3)cc2)[nH]c(=O)c(C(=O)O)c1O 143154163 ZAQGTCIVGDMKLS-HXUWFJFHSA-N 371.437 2.183 0 1 FEAF CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 95894471 MYBXLMBDLOWIKT-QYZOEREBSA-N 354.381 2.161 0 1 FEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)ncc2[nH]1 586931004 YTBLLOFZZBLGOY-UHFFFAOYSA-N 352.803 2.146 0 1 FEAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 586880654 AOZDJWYBUJAFMS-UHFFFAOYSA-N 371.418 2.139 0 1 FEAF CS(=O)(=O)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1 586967818 GHNIZRYVFHGNBG-UHFFFAOYSA-N 363.420 2.205 0 1 FEAF CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397772 AZCYLVJNBBQBEL-YJYMSZOUSA-N 363.410 2.434 0 1 FEAF CN(Cc1ccccc1Cl)C(=O)Cc1ccc2c(O)nc(O)nc2n1 587368355 HPOVLXMGBRQTLD-UHFFFAOYSA-N 358.785 2.291 0 1 FEAF CN1[C@@H]2C[C@H](O)[C@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595616 PJACZMRDANBQKS-BTCXONBVSA-N 367.401 2.320 0 1 FEAF Cn1ncc([C@@]2(C)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)n1 963180081 GBOPWDZLUDYZNA-RISCZKNCSA-N 374.750 2.350 0 1 FEAF COc1n[nH]c2cc(NC(=O)N[C@H](c3ccc(F)cc3)[C@@H](C)O)ncc12 1772597883 FBFVSUQHZVJYJN-PSLIRLAXSA-N 359.361 2.349 0 1 FEAF CCOC(=O)[C@@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169294348 ZGZCDLPPASRPHK-NLDJYOPPSA-N 368.389 2.052 0 1 FEAF O=C(Nc1ccc(C2=NCCN2)cc1)c1cc2cc(C3=NCCN3)ccc2o1 6535483 HVBDSLZIDPYCFM-UHFFFAOYSA-N 373.416 2.385 0 1 FEAF CC[C@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3cc(OC)ccc3nc2-1 26658268 XAQKCDAFPAOWPB-OAQYLSRUSA-N 362.385 2.157 0 1 FEAF CCOC(=O)Cc1cc(O)n2nc(NCc3ccc(Cl)cc3)nc2n1 21178361 JTVVGQBGVRZYFG-UHFFFAOYSA-N 361.789 2.201 0 1 FEAF O=C(COc1ccccc1)NC[C@@H]1COCc2nc3cc(F)ccc3n21 2356302277 QMRJLODKPWTITP-CQSZACIVSA-N 355.369 2.442 0 1 FEAF CN[C@@H](C)[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27997551 SARMVEMODGTEEG-QWRGUYRKSA-N 374.416 2.003 0 1 FEAF CCC(=O)C[C@H](O)C=CC=CC=C[C@H](C)[C@H](O)[C@H](C)[C@@H](O)C[C@H](C)O 2356715727 PKZWOSPCXISENT-WZLKLWACSA-N 354.487 2.150 0 1 FEAF CCOC(=O)[C@@]1(O)Oc2cc(OC)cc(OC)c2C(=O)[C@@H]1c1ccccc1 3978968 BSEKDHRYMZTILL-PXNSSMCTSA-N 372.373 2.314 0 1 FEAF biogenic,in-vitro CC=C1CO[C@H](O)[C@@]2(C(=O)OC)[C@H]1CC1=NCCc3c1n2c1ccccc31 14719737 VERVUAYOVAQZHF-JHVJFLLYSA-N 366.417 2.170 0 1 FEAF biogenic Nc1cnc(-c2ccc(-c3ccccc3CS(N)(=O)=O)cc2F)cn1 224668762 MAMIATLXEPVTOY-UHFFFAOYSA-N 358.398 2.320 0 1 FEAF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C 86010670 YOQIGAVHLYFIAF-ZTVYHHHFSA-N 364.438 2.243 0 1 FEAF in-man CC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 95871369 XKQHUHPFRGDKHZ-TUNNFDKTSA-N 364.445 2.179 0 1 FEAF CC(C)=CC(=O)O[C@H]1CC=C2C[C@@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C 238750942 AYZOKQQDGDMCDQ-RUBGJQGZSA-N 362.422 2.163 0 1 FEAF O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3c1OCO3)[C@@H]2O 85953899 SAALZFZQLFTOGM-QAPCUYQASA-N 366.325 2.176 0 1 FEAF biogenic CN(C)S(=O)(=O)c1cccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c12 586905796 CGIBBHZLUUAAAD-GXDHUFHOSA-N 369.402 2.482 0 1 FEAF COC(=O)c1cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cnc1Cl 962917254 FNHTXVYOYKPLOK-JSGCOSHPSA-N 364.760 2.349 0 1 FEAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NS(C)(=O)=O)c2cn1)c1ccccc1 1772630339 SJXDINYNAZLILM-SNVBAGLBSA-N 374.426 2.212 0 1 FEAF CCCn1c(=O)c2[nH]c([C@@H](CO)Cc3ccccc3)nc2n(CCC)c1=O 12405520 ZEUYNQBTMCKNPO-OAHLLOKOSA-N 370.453 2.025 0 1 FEAF O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)Nc1cnc2ccccc2c1 13150606 ZJEUUDOBFLQKBE-KZVWXAQQSA-N 373.412 2.226 0 1 FEAF CC(=O)Nc1nc(C)c(-c2csc(NCCc3nnc(O)o3)n2)s1 165449466 KVPCMAMDWZAMLF-UHFFFAOYSA-N 366.428 2.277 0 1 FEAF O=C1O[B-](c2ccccc2)(c2ccccc2)N[C@H]1Cc1c[nH]c2ccccc12 205183911 YLIOJQICMHUPCJ-QFIPXVFZSA-N 367.237 2.482 0 1 FEAF Cc1nc2ccc(C(=O)N[C@@H](Cn3ccnc3)C(=O)OC(C)C)cc2o1 1857756844 NKSHHHQKSJAVMJ-HNNXBMFYSA-N 356.382 2.083 0 1 FEAF C[C@@]1(N)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 27986737 XMYPLLOMLOIMLQ-GOSISDBHSA-N 363.364 2.240 0 1 FEAF O=C(c1ccccc1)N1C[C@H]2COCCN2C2(C1)CN(C1CCCCC1)C2 2356714662 GBRMFHWGWRCICN-FQEVSTJZSA-N 369.509 2.230 0 1 FEAF Cc1oc(-c2ccccc2N)nc1C(=O)N(CC(=O)O)Cc1ccccn1 40410867 JZVMIGPOWMIVRY-UHFFFAOYSA-N 366.377 2.354 0 1 FEAF COc1ncc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1 84727113 XHOUEKXTVUWQCB-UHFFFAOYSA-N 356.407 2.200 0 1 FEAF O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 95894628 ASBISCBCTXZQKG-XUVXKRRUSA-N 362.429 2.412 0 1 FEAF O=C(O)c1cn(C2CC2)c2nc(N3C[C@H]4C[C@H]3CS4)c(F)cc2c1=O 299810958 YPLSMQJIQQTDFZ-VHSXEESVSA-N 361.398 2.263 0 1 FEAF NC(=O)c1cccc(C[C@H](N)c2nc3c(Br)ccnc3[nH]2)c1 587258930 BETTZTAKXVXBTH-NSHDSACASA-N 360.215 2.062 0 1 FEAF CS(=O)(=O)c1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587654043 GTIQQHIXOUAHDY-UHFFFAOYSA-N 362.794 2.142 0 1 FEAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(N(C)CCO)nc1 963048135 SDNVYFWFOVMORF-HXUWFJFHSA-N 364.449 2.302 0 1 FEAF Cc1cccc(NC(=O)c2[nH]cnc2C(=O)NCC(=O)OC(C)(C)C)c1 15952245 LWZBRCDSAJETHJ-UHFFFAOYSA-N 358.398 2.042 0 3 FEAF CC(C)[C@H](C(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 15956085 NWWVCEJQYCCAIN-AUUYWEPGSA-N 355.394 2.313 0 1 FEAF biogenic Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1Cl 169299401 QDSLCHJCYYXTEW-RRHLTNISSA-N 363.797 2.328 0 1 FEAF CN(C)Cc1cc2nc(-c3ccc(F)cc3)c(-c3cc[nH]c(=N)n3)n2cn1 1857585392 OGURMSMUEQDWCI-UHFFFAOYSA-N 363.400 2.467 0 1 FEAF CCCC(=O)O[C@@H]1[C@H](O)C=C2CCN3Cc4cc5c(cc4[C@@H]1[C@@H]23)OCO5 2356332571 HSXFFYXJBILABT-LMFCIFFHSA-N 357.406 2.100 0 1 FEAF Nc1nc(N)c2nc(CN3c4ccccc4C[C@@H]4C=CC=C[C@H]43)cnc2n1 58590467 FSFDVEWPOBJBGK-SWLSCSKDSA-N 357.421 2.258 0 1 FEAF Cc1ccc(-c2nn3c(-c4ccc(S(N)(=O)=O)cc4)nnc3s2)cc1 103269639 SRFKWGNAWXLAGV-UHFFFAOYSA-N 371.447 2.476 0 1 FEAF Cc1ccc2c(Cc3ccccc3)cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c2c1 66101327 SPPPLDDFPUBVQT-PLACYPQZSA-N 353.418 2.152 0 1 FEAF CC=Cc1cc(=O)c(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c[nH]1 2356521390 VPAOKPNCSUMTKK-UHFFFAOYSA-N 357.362 2.443 0 1 FEAF CC[C@@H]1CN(C)[C@H]2C[C@@H]3[C@H](N[C@@H]4CCCC[C@H]34)C(=O)C[C@H]1[C@@H]2C(=O)OC 2356608673 SJBJYGYLCQECRD-ZKKYUWNRSA-N 362.514 2.242 0 1 FEAF C1=C2OCO[C@@H]2C[C@H]([C@@H]2OC[C@@H]3[C@@H]2CO[C@@H]3[C@@H]2CC[C@H]3OCO[C@@H]3C2)C1 2356823776 GOSCVQNXHKJPRS-RIEWYAQUSA-N 364.438 2.225 0 1 FEAF c1nc2c(Nc3ccc(N4CCOCC4)cc3)ncc(-c3cn[nH]c3)n2n1 73311452 WSPYBPVYCFYIRM-UHFFFAOYSA-N 362.397 2.095 0 1 FEAF CCc1c(F)c(N2CC[C@H](N)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 40503664 LKNVLXARJIDGMB-JTQLQIEISA-N 359.401 2.274 0 1 FEAF Cc1noc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)n1 96903433 SYICWFONNQDEQH-UHFFFAOYSA-N 373.848 2.339 0 1 FEAF CN1[C@H]2C[C@@H](O)[C@H]([C@H](O)c3ccccc3)[C@@H]1C[C@@H]2OC(=O)c1ccccc1 238732368 OPWGXFVDYRHRHH-OXVGXARHSA-N 367.445 2.399 0 1 FEAF CC(C)Oc1cc2nc(C[C@@H](O)CC(=O)O)[nH]c2cc1Br 586889848 LSHVMOBMHLXIPD-MRVPVSSYSA-N 357.204 2.491 0 1 FEAF CCOC(=O)C(=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800438 XBQOHCCPYYZJBT-GLEZIHRCSA-N 358.207 2.470 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 587232585 ZULJCDOJEDIITJ-XJKCOSOUSA-N 359.430 2.323 0 1 FEAF CCOC(=O)[C@@]1(c2cnn(CC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431231 JCVNMIOMUWHTOZ-KUHUBIRLSA-N 356.378 2.118 0 1 FEAF CN(C)C(=O)COc1cccc([C@@]2(C)NCCc3nc4ccccn4c32)c1 962984678 NIFYVFWCNSLXJP-OAQYLSRUSA-N 364.449 2.211 0 1 FEAF CC(C)(C)OC(=O)NC[C@@H]1Cc2c3cccc2[C@@]2(C=COCC2=O)N1C3 962643846 WOUANFMJQLOISF-VBKZILBWSA-N 356.422 2.260 0 1 FEAF COc1cc(-c2cnnc(NCCN3CCCC3)n2)cc(OC)c1OC 12836375 ZALVSGPTPBUWTK-UHFFFAOYSA-N 359.430 2.072 0 1 FEAF CCc1cc(C(=O)N2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)on1 14976969 GKXCVMHLSWCXAU-OAHLLOKOSA-N 355.442 2.406 0 1 FEAF CNS(=O)(=O)c1ccc(N2CCCC2)c(Nc2ncnc3[nH]ccc23)c1 204861817 MVJQMRSTXUFNAA-UHFFFAOYSA-N 372.454 2.210 0 1 FEAF NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(F)c1 3960037 VUNGWWRBVPWOKS-UHFFFAOYSA-N 366.267 2.282 0 1 FEAF CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@H]4[C@@H](C)OC[C@@H]([C@H]12)[C@H]4CC3=O 105377589 FMZMLKGLGADCPQ-FXZLKIDQSA-N 368.477 2.235 0 1 FEAF O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)Nc1ccccn1 103796166 CYSDRXVJLGMECL-UHFFFAOYSA-N 354.391 2.064 0 3 FEAF CN(C(=O)Cc1ccccc1N)[C@@H](CN1CC[C@@H](O)C1)c1ccccc1 26376078 SYMWUCVROYSIKP-QUCCMNQESA-N 353.466 2.078 0 1 FEAF O=C(Nc1ccc(Cl)cc1)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 61895553 KCJGDDDYZBSLDQ-RWMBFGLXSA-N 354.815 2.232 0 3 FEAF NC(=O)c1cc(NC(=O)/C=C/c2cccs2)ccc1N1CCOCC1 29128697 LXRQFSNLMAMQMX-GQCTYLIASA-N 357.435 2.336 0 1 FEAF COC(=O)[C@@H]1[C@H](O)O[C@H](C)[C@@H]2CN3CC[C@@H]4C(=Nc5ccccc54)[C@H]3C[C@H]21 2356416187 KVUXCGFGKOCLAE-XPAOWLELSA-N 370.449 2.093 0 1 FEAF O=C(N1CCOCC1)N1CCOC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 2356699259 LEAQHGUSVZEHLC-HNNXBMFYSA-N 374.359 2.237 0 1 FEAF Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCOCC3)cn2)cn1 224801659 QUYNLQCLZSVIKE-UHFFFAOYSA-N 361.405 2.260 0 1 FEAF O=C(c1ccc(Cl)cc1F)N1CCc2c(nnn2-c2cnccn2)C1 226003328 RQZCRASSHQHGSU-UHFFFAOYSA-N 358.764 2.048 0 1 FEAF CC(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 82196227 YKUSRNYJFPNZRQ-UHFFFAOYSA-N 350.422 2.469 0 1 FEAF CNC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Nc1cccc(OC)c1 95895480 ISGHWAYUAIRQOS-QYZOEREBSA-N 355.438 2.275 0 1 FEAF Cc1ccccc1[C@@H](CC(=O)O)NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1 95554116 HORNJPKKXLGEPK-MRXNPFEDSA-N 365.389 2.420 0 1 FEAF NC(=O)C[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C1CC1 146569713 QAKJXHZPHGQCBD-GFCCVEGCSA-N 371.359 2.284 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(C)=O)cc1 95895492 HMSAMPDYDGLPOA-UIJPIBLASA-N 356.466 2.263 0 1 FEAF CCN(c1ccc(-c2csc(CC(=O)OC)n2)cc1)S(C)(=O)=O 587923383 NXYHRDVOFFVVQU-UHFFFAOYSA-N 354.453 2.312 0 1 FEAF COc1ccc([C@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1OC 587559433 ICZKZVHUOVJJBG-LLVKDONJSA-N 367.361 2.100 0 1 FEAF COC(=O)[C@@H]1C[C@@]2(CCN1)N[C@H](C)Cc1cc(Br)c(F)cc12 587789977 FAXRYXYBCJYEMV-WKFLNTIRSA-N 371.250 2.243 0 1 FEAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(C(N)=O)c3[nH]2)cc1 586940616 BFJMSLQQUJQSTP-MDZDMXLPSA-N 370.434 2.061 0 1 FEAF CNS(=O)(=O)c1cc(-c2nc3c(Br)cccc3[nH]2)n(C)c1 586946638 BLUCUDDZBJSLNE-UHFFFAOYSA-N 369.244 2.239 0 1 FEAF C[C@H](CO)NCCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772609345 GNQVFFMDZVVTEH-GFCCVEGCSA-N 371.389 2.220 0 1 FEAF C[C@@H]1C(=O)CC2=C(C=CC=C[C@@]13C[C@@H](O)c1ccoc1[C@H]3O)C(=O)OC2 1857612053 XDVQNSISBBSZIG-UDLJHZMWSA-N 356.374 2.311 0 1 FEAF O=c1ccoc2c3c(cc(NS(=O)(=O)c4cccs4)c12)OCO3 1857769017 SAGSAESMVBMFHH-UHFFFAOYSA-N 351.361 2.384 0 1 FEAF O=c1[nH]c2ccc(N3CCC[C@@H](CO)C3)nc2nc1Cc1ccc(F)cc1 766878 KUNDXBJHVWWBOU-CQSZACIVSA-N 368.412 2.257 0 1 FEAF Cc1ccc(-c2nnn(CCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 920605 MKURADNTCSMGOT-UHFFFAOYSA-N 351.366 2.406 0 3 FEAF Cc1c(NC(=O)CSC(=S)N(C)C)c(=O)n(-c2ccccc2)n1C 1650096 IMKDVRMSGNKZKU-UHFFFAOYSA-N 364.496 2.003 0 1 FEAF O=C(O)CCC(=O)NC[C@@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 2356299006 QPUSCQYGWKKVIU-CYBMUJFWSA-N 363.801 2.083 0 1 FEAF CO[C@H]1CC[C@H](n2c(=O)c(-c3cc[nH]n3)cc3c(C)nc(N)nc32)CC1 117701930 UDXSDTPXGCELRI-TXEJJXNPSA-N 354.414 2.202 0 1 FEAF O=C(C=CC(=O)Nc1ccccc1C(=O)O)Nc1ccccc1C(=O)O 2356800389 PZWAOAJYFINXQO-UHFFFAOYSA-N 354.318 2.216 0 1 FEAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@@H]3CCC[C@@H]4[C@@H](O)C(C(=O)O)=C(C1)[C@@]342 2356847613 OYAAECDZXFHFIA-ZZRHZXCXSA-N 373.497 2.195 0 1 FEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1(C)COC1 222462450 WSLDIDFQCRYHIJ-UHFFFAOYSA-N 363.421 2.420 0 1 FEAF COc1cc2nc(N3CCOCC3)nc(NC[C@@H]3CCCO3)c2cc1OC 82125236 FULZJVRUEDXGMO-ZDUSSCGKSA-N 374.441 2.075 0 1 FEAF CC(C)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCc1cccs1 199248263 SLSMCOUJEKCIKL-HNNXBMFYSA-N 357.435 2.236 0 3 FEAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(F)cc2)n1 146980597 XKCYWGPISGAXMK-GOSISDBHSA-N 367.384 2.320 0 1 FEAF NS(=O)(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587040972 LCAGKNBIQXPFKX-HOTGVXAUSA-N 374.491 2.157 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(CCO)c2)N1 587760986 ROYRBCOAUMSINZ-VFZGTOFNSA-N 354.223 2.401 0 1 FEAF CCOC(=O)C[C@]1(c2cc(C)nn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432907 SKWWGKRAPAKEJW-VLIAUNLRSA-N 370.405 2.333 0 1 FEAF CCOc1ccccc1[C@](N)(c1nc2c(N)ncnc2[nH]1)C(F)(F)F 587091876 HFBUSHZYIZZVJC-AWEZNQCLSA-N 352.320 2.098 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587230019 DSBYDUPLSBJDMX-ZIAGYGMSSA-N 370.453 2.484 0 1 FEAF O=C1O[C@H](c2ccc(F)cc2)[C@H](O)N1c1cccc(OS(=O)(=O)O)c1 1772658099 RPDUZJOAGFMHEV-KGLIPLIRSA-N 369.326 2.024 0 1 FEAF C[C@H]1CCCCN1CCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21 5034450 OZPCBSFWSAVEKU-AWEZNQCLSA-N 368.437 2.133 0 1 FEAF O=C(NC[C@@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccccc1 775391 HLZKOOGDVDEKTR-CYBMUJFWSA-N 356.353 2.231 0 1 FEAF C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@]12C[C@]1(COC(=O)C1)CO2 2356317418 QHYFPLAXWXWDJP-HXZUJCDCSA-N 352.471 2.285 0 1 FEAF C[C@H]1Cc2ccccc2N1C(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 6576680 FCWGUNZWNNQXGH-DYOXLCOFSA-N 350.418 2.161 0 1 FEAF CC(=O)c1ccc(OCC(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)cc1 23214756 ZJMPCUBMVWURKQ-UHFFFAOYSA-N 369.421 2.066 0 1 FEAF O=C1CC[C@H](c2ccc(O)c3c2C(=O)C[C@H](O)[C@@H]3O)c2cccc(O)c21 13398716 XSQFLXZDKVXARD-JLODTFLUSA-N 354.358 2.187 0 1 FEAF biogenic C[C@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccncc3)c(=O)n21 82212151 GINSCXWBAFYJDH-ZDUSSCGKSA-N 357.458 2.288 0 1 FEAF Cc1noc(C)c1-c1cccc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 299850336 ACSGLFIKTXTYKM-UHFFFAOYSA-N 364.471 2.339 0 1 FEAF CC[C@H](O)CC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 299828757 WFOYXANVMZAHLK-ABENMZSBSA-N 370.486 2.014 0 1 FEAF COc1cc(Br)c([C@H](N)c2nc3ncc[nH]c-3n2)cc1OC 586975362 NETMFROEHAVVMZ-NSHDSACASA-N 364.203 2.132 0 1 FEAF Cn1nccc1CS(=O)(=O)Cc1nc2cccc(C(F)(F)F)c2[nH]1 586922106 QTETYYFIOSRYRS-UHFFFAOYSA-N 358.345 2.430 0 1 FEAF Nc1cccc(C(=O)O)c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587250358 NICHZFACCCWSNW-UHFFFAOYSA-N 352.394 2.343 0 1 FEAF Fc1ccc(NC(=S)Nn2c(S)nnc2-c2cnccn2)c(F)c1 1772594338 WJVNXNGBZNESOE-UHFFFAOYSA-N 365.394 2.243 0 1 FEAF O=C(CN1CCN(c2nc3ccsc3n3cccc23)CC1)N1CCCC1 13755954 BGPSOKRQZWMDEI-UHFFFAOYSA-N 369.494 2.293 0 1 FEAF N#CN1CC[C@H](NC(=O)c2ccc(N3CCC[C@H]3c3cccnc3)nc2)C1 1857617378 MTJXHXNNDCGFDT-ROUUACIJSA-N 362.437 2.103 0 1 FEAF O[C@@H]1[C@H](NCC2CCCC2)[C@H]2CO[C@@H](O2)[C@H]1n1cc(-c2ccccc2)cn1 2356297216 QBWBFXUJDHYTEW-ADAARDCZSA-N 369.465 2.356 0 1 FEAF CCOC(=O)c1cc(COC)cn1S(=O)(=O)c1cc(Cl)ccc1N 6403680 FTVQQRNXPNFCEJ-UHFFFAOYSA-N 372.830 2.284 0 1 FEAF Cc1nc2ccccc2c2oc(C(=O)NCCN3CCN(C)CC3)cc12 20323447 ZRCIOTROPFYKRS-UHFFFAOYSA-N 352.438 2.267 0 3 FEAF COC(=O)Cc1c(C(Cl)=CC(=O)O)oc2cc(C)cc(O)c2c1=O 2356480081 OIGIYRMZWBAKKC-UHFFFAOYSA-N 352.726 2.187 0 1 FEAF COc1ccc(C(=O)[C@@H]2CO[C@@H](c3ccc(OC)c(O)c3)[C@H]2CO)cc1O 2356558085 LJZCCAHBCMLGPF-MNVSYLFESA-N 374.389 2.294 0 1 FEAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4[C@H](O)CN(C2=O)[C@@H]13 2356694160 WPAFASNFOAYXNJ-XLKWDNBVSA-N 368.433 2.273 0 1 FEAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@@H]3CCC[C@H]4[C@@H](O)C(C(=O)O)=C(C1)[C@@]342 2356847611 OYAAECDZXFHFIA-MYVOEUQCSA-N 373.497 2.195 0 1 FEAF c1ccc(CO[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2nnnc2-c2ccccc2)cc1 2356863595 URPGGVLAPQCCPM-YRXWBPOGSA-N 364.405 2.264 0 1 FEAF N#Cc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 38248766 OJWRGMAUQLLPRI-UHFFFAOYSA-N 351.391 2.406 0 1 FEAF C=C[C@]1(C)C[C@@](O)([C@@H](O)C(C)(C)O)Oc2c1c(=O)oc1cccc(C)c21 14559633 KXBAKXZOYFTMPG-SXLOBPIMSA-N 360.406 2.148 0 1 FEAF biogenic COC(=O)[C@@H]1CO[C@@]2(CCO)CC[C@H]3c4[nH]c5ccccc5c4C[C@@H]1N3C2 238739616 GAMRURZRBQMIOC-CNTRQJEFSA-N 370.449 2.170 0 1 FEAF Cc1nc(NC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)no1 587659914 JVQOMQOTLPFRID-UHFFFAOYSA-N 365.324 2.974 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c12 587245345 WDTSVTICMUQJNF-QXMHVHEDSA-N 370.434 2.465 0 1 FEAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 586950791 MJMWOALGSLUMTK-UHFFFAOYSA-N 358.423 2.479 0 1 FEAF N=C(N)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587009002 QSPIGFCKTYYBPF-UHFFFAOYSA-N 356.187 2.319 0 1 FEAF CCOC(=O)C[C@]1(c2cnn(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430726 GNJVHNPYOGNGLM-AUUYWEPGSA-N 356.378 2.025 0 1 FEAF O=C(O)[C@H]1C(c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@H]1C(=O)O 587971160 VDCKNUQIRBZLFN-WDSKDSINSA-N 361.098 2.102 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587230578 IFDVDXOPKIVBBD-STQMWFEESA-N 359.426 2.371 0 1 FEAF CN1c2ccsc2C(=O)[C@H](C(=O)Nc2ccc(Cl)cc2)S1(=O)=O 18140202 OGZMSDOTGFGDAU-CYBMUJFWSA-N 370.839 2.371 0 1 FEAF CC(C)[C@@H](CN1CCCC[C@H]1C)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857628893 ZJGGFNDXNQYSHD-CDHQVMDDSA-N 359.514 2.422 0 1 FEAF COCCn1cc(C(=O)N2CCCC2)c2c3ccccc3n(C)c2c1=O 2466263 BAJJWYBZBREECQ-UHFFFAOYSA-N 353.422 2.376 0 1 FEAF C[C@]1(O)OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1 3928662 YHNIVIBBBLJCNF-SFHVURJKSA-N 362.378 2.405 0 1 FEAF CC(C)S(=O)(=O)n1c(N)nc2cc(NC(=O)c3ccccc3)ccc21 28963454 CEFGZKIQDCGXGC-UHFFFAOYSA-N 358.423 2.457 0 1 FEAF C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CC[C@H](O)C2=O)cc1 100384172 AGRGOPGRMMWYAC-ZBEGNZNMSA-N 354.410 2.127 0 1 FEAF CCN1C[C@@]2(C)CCC[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2O 2356773211 TWAXKDVWAOGBCE-RODHWCHJSA-N 361.526 2.280 0 1 FEAF CSc1ncn(C)c1C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccc(O)cc21 2356787711 BPUUFIFWXQFNLA-KBPBESRZSA-N 372.450 2.212 0 1 FEAF CC=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@@](C)(O)C(=O)O 2356853718 RISIMRWMWMZZPW-MECUGQJTSA-N 370.486 2.036 0 1 FEAF COc1ccccc1N1CCN(CCNC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 139212177 XQGRZJQQNFCESY-KZNAEPCWSA-N 355.482 2.146 0 1 FEAF Cc1c(Cl)cccc1CNC(=O)[C@@H]1CCCS(=O)(=O)N1C(C)C 95565861 GFBGQDJMTARDMH-HNNXBMFYSA-N 358.891 2.467 0 1 FEAF O=C(O)CCC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1cccs1 587564355 QLLDVWDIBISSOJ-UHFFFAOYSA-N 359.363 2.141 0 1 FEAF CC(C)OC(=O)C1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC(F)(F)C1 587131911 WRDFUQVRSQVNHJ-UHFFFAOYSA-N 362.340 2.157 0 1 FEAF O=S(=O)(Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCCC1 586924216 LPDPXIXKWXADCH-UHFFFAOYSA-N 363.483 2.253 0 1 FEAF CNS(=O)(=O)c1sccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587408731 IEACYFVCDSDHGW-INIZCTEOSA-N 366.464 2.427 0 1 FEAF CC1(C)Cc2c(sc(NC(=O)Cc3cc[nH]n3)c2C(N)=O)C(C)(C)O1 1772576871 XRAUHKLEJGTQLM-UHFFFAOYSA-N 362.455 2.338 0 1 FEAF O=C(c1cc(COc2cccc3cccnc23)on1)N1CCC[C@H]1CO 11934394 WVMACUNCLNRCRV-AWEZNQCLSA-N 353.378 2.399 0 3 FEAF CCOC(=O)[C@H]1[C@H](c2ccc(C)s2)[C@@H](C(=O)OCC)C(=O)C[C@@]1(C)O 7991455 JMSMAPVNUUZKDR-LUXYFRNMSA-N 368.451 2.223 0 1 FEAF Nc1nc([C@H]2CCCO2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103247080 GJWMGZNCWDOEBH-HCPNNDMYSA-N 363.483 2.246 0 1 FEAF CCOC(=O)N1CCN(C[C@@H](O)COCC2=CC[C@@H]3C[C@@H]2C3(C)C)CC1 101654811 YMACKEAEDRGJSR-KURKYZTESA-N 366.502 2.130 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(C)(N)C3)c(Cl)c21 27423027 VKEQRUNWVKOQGY-UHFFFAOYSA-N 353.781 2.050 0 1 FEAF CNC(=O)[C@@H]1CN(C(=O)C2(c3ccc(OC)cc3)CC2)CC12CCCC2 75876747 GGFNTRUNPJXUIQ-KRWDZBQOSA-N 356.466 2.492 0 1 FEAF CCCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)C[C@@H](C)N2 82207006 UOSHVCHBNHRBLF-CYBMUJFWSA-N 358.442 2.245 0 1 FEAF CN1CCN(CC(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)CC1 96178003 RETALPAJDGZPSB-UHFFFAOYSA-N 361.449 2.483 0 1 FEAF COc1ccc(CN2C[C@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)cc1 299841987 HISMKXYYZLWSIH-HBFSDRIKSA-N 358.482 2.402 0 1 FEAF COc1nn2c(=O)cc(-c3ccc4c(c3)OCO4)[nH]c2c1-c1ccccn1 653666164 PDEFLGWYSNQSGR-UHFFFAOYSA-N 362.345 2.489 0 1 FEAF N[C@H](CNC1CCCCC1)[P@](=O)(O)C[C@H](Cc1ccccc1)C(=O)O 653856978 DDFITBNCTUGZCA-RDJZCZTQSA-N 368.414 2.407 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CCN1CCOCC1 587869786 OSMHCDJDIXJVNV-UHFFFAOYSA-N 356.348 2.305 0 1 FEAF O=S(=O)(Nc1ncccn1)c1ccc(-c2sc(S)nc2O)cc1 169715189 LEJJTQLNKABCMC-UHFFFAOYSA-N 366.449 2.395 0 1 FEAF COCCCN1CCC(CNC(=O)c2cccn3nc(C(C)C)nc23)CC1 1857762202 HHWQTJPGROUFRO-UHFFFAOYSA-N 373.501 2.331 0 1 FEAF COc1ccc2nc3oc(C(=O)NCCCN4CCOCC4)cc3cc2c1 21110102 CVZBEDXTVGTZKP-UHFFFAOYSA-N 369.421 2.442 0 1 FEAF CN(C(=O)CCCOc1ccc2[nH]c(=O)oc(=O)c2c1)C1CCCCC1 26824581 WRVZNNNWSUYZCG-UHFFFAOYSA-N 360.410 2.431 0 1 FEAF O=C(Nc1ncccn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 34837764 ZDADUOHWLCGTTC-UHFFFAOYSA-N 367.438 2.349 0 1 FEAF Cn1nnc(-c2ccc(C(=O)N3CCc4[nH]nc(C(C)(C)C)c4C3)cc2)n1 23429124 HKLSVKAIUSEHIR-UHFFFAOYSA-N 365.441 2.096 0 1 FEAF CCOC(=O)[C@]1(O)Oc2cc(OC)cc(OC)c2C(=O)[C@@H]1c1ccccc1 3472307 BSEKDHRYMZTILL-FXAWDEMLSA-N 372.373 2.314 0 1 FEAF biogenic,in-vitro COC1=C(c2ccc(OC)cc2)C(=O)[C@@H](O)[C@](O)(c2ccc(OC)cc2)C1 15257977 GZSCQNISHIIIPB-NHCUHLMSSA-N 370.401 2.283 0 1 FEAF biogenic Nn1c(CS(=O)(=O)Cc2ccccc2)nnc1-c1ccccc1Cl 40405621 UHGWGNOPVGIUCT-UHFFFAOYSA-N 362.842 2.427 0 1 FEAF Cn1nc(-c2ccccc2)cc1C(=O)N(CC(=O)O)Cc1ccccn1 40933535 FGDFBLRNAXLBMG-UHFFFAOYSA-N 350.378 2.209 0 1 FEAF COc1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccncc3)C(=O)O2)cc1 45497609 WMHJQZNDOYVBOS-QGRTWZNFSA-N 369.373 2.009 0 1 FEAF Cc1cc(S(=O)(=O)c2cncnc2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175195 WGGZUNOMTGMQMT-WBMJQRKESA-N 368.462 2.459 0 1 FEAF CCCCCOc1cc2nc([C@@H](O)[C@@H](O)CO)[nH]c2cc1Br 586894239 YYUCWCIBFPORGN-JSGCOSHPSA-N 373.247 2.281 0 1 FEAF O=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCOCC1 13682686 NCLWVPZWZZGUBK-UHFFFAOYSA-N 357.250 2.471 0 1 FEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)CN 206084492 PAWVEZOTRVPHRU-UHFFFAOYSA-N 364.453 2.368 0 1 FEAF O=C(CN1C(=O)C2(OCCCO2)c2ccccc21)NCc1ccc(F)cc1 201470416 YRSFPPPDINETRM-UHFFFAOYSA-N 370.380 2.078 0 3 FEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CCCC[C@H]1CN1CCCC1 1259846558 BONFHDGUHWVNJT-AWEZNQCLSA-N 352.456 2.054 0 1 FEAF O=C(CCn1nnc2ccccc21)N1CCC(O)(c2cccc(F)c2)CC1 1347925 CBJSZMIZUGCEHO-UHFFFAOYSA-N 368.412 2.471 0 3 FEAF Cc1ccc(CCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)cc1 103815949 NEVCLPCFUOUJNZ-UHFFFAOYSA-N 360.417 2.497 0 3 FEAF CC(C)CN1C[C@H]2CC(NC(=O)c3nn(C)c4ccccc34)C[C@H](C1)N2C 101251198 IFZAOPNFWYWWCA-IAGOWNOFSA-N 369.513 2.106 0 1 FEAF Cc1nc(N2CCN(CC3CC3)C2=O)sc1C(=O)NCc1cccnc1 103236140 DQJQOFFCCSGWRM-UHFFFAOYSA-N 371.466 2.429 0 1 FEAF NC(=O)c1ccc(N2CCCCC2)c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 101895241 PZLHHNNDLKIJFJ-HLNSBACISA-N 365.433 2.087 0 1 FEAF O=C(c1cccs1)c1cc2c(c(Cl)c1Cl)O[C@H](C1NNNN1)C2 27996228 DTZLYPBALJYHAY-QMMMGPOBSA-N 371.249 2.033 0 1 FEAF CC(C)C[C@@H](N)C(=O)N[C@H](C12CC3CC(CC(C3)C1)C2)P(=O)(O)O 26291833 MWQREKPOGRYXBG-KHLCZAGTSA-N 358.419 2.196 0 1 FEAF COc1cccc([C@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)c1 28463106 ACWQRBMGRMYDBA-SJLPKXTDSA-N 358.394 2.131 0 1 FEAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 28757088 FPMCRWQXDKRLJF-KGLIPLIRSA-N 355.891 2.240 0 1 FEAF CCc1nc(N2CCNCC2)c2c(C)nn(-c3ccc(OC)cc3)c2n1 35988510 FUCNAEIHZZRWCQ-UHFFFAOYSA-N 352.442 2.105 0 1 FEAF CC(C)n1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82206024 UWADPWNJAPXEAZ-ZIAGYGMSSA-N 369.425 2.147 0 1 FEAF CCOC(=O)c1cnn(C[C@H](C)O)c1NC(=O)Nc1cccc(F)c1 40395574 NGSQMHFHNWXHLS-JTQLQIEISA-N 350.350 2.224 0 1 FEAF CCCC[C@]1(CO)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)[C@@H]1O 194854461 BYBAPAFOQSJYFM-GRZHXSAHSA-N 373.493 2.201 0 1 FEAF CC(=O)N1CCN(c2ccc(N3CCN(C(C)=O)[C@H](C)C3)c(C)c2)[C@H](C)C1 199271824 MENJIUZSUPCMSV-IAGOWNOFSA-N 372.513 2.109 0 3 FEAF COc1ccc(-n2cnc3c(sc4ncnc(N(C)C)c43)c2=O)cc1 95560337 FIYKKDYTSVKXEL-UHFFFAOYSA-N 353.407 2.465 0 1 FEAF COC[C@H]1CCCN1c1cccc2c1S(=O)(=O)N(C1CC1)CCCO2 96019141 BGQNBNOCFMHCMY-OAHLLOKOSA-N 366.483 2.237 0 3 FEAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cncnc2)c1=O 25410766 LKXFUOPRONKJBP-KGLIPLIRSA-N 362.389 2.158 0 1 FEAF biogenic CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccnc(O)c2[nH]1 586965722 WCQVJOCIMUTXDE-UHFFFAOYSA-N 370.442 2.120 0 1 FEAF COc1cc2c(c(OC)c1OC)-c1nc3nc(O)nc(O)c3cc1CC2 587561598 SADPZNSHBHNNIW-UHFFFAOYSA-N 355.350 2.227 0 1 FEAF COC(=O)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)[nH]1 962971253 HINNYPWFKQEYAO-FZMZJTMJSA-N 370.739 2.421 0 1 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@H]4CCCNC4)c(=O)n1c23 1857553923 GNCZLLHSLMYGQY-RYUDHWBXSA-N 373.428 2.083 0 1 FEAF COC(=O)c1ccc(C(=O)NC(=O)NCCc2ccc(OC)cc2)cc1 1857656614 KWNGUPGOQSSCDT-UHFFFAOYSA-N 356.378 2.164 0 1 FEAF c1cncc([C@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@@H]3C2)c1 22584623 QWKFMUSZCHWAPD-RTBURBONSA-N 367.501 2.443 0 3 FEAF O=C(NCCNC[C@@H](O)COc1ccccc1Cl)Nc1ccccc1 28755085 GNAAWKIEZPQFID-OAHLLOKOSA-N 363.845 2.491 0 1 FEAF COc1ccc(CCNC[C@@H](O)COC(=O)c2ccccc2C)cc1OC 25974039 IDQZSVVLLSWIME-QGZVFWFLSA-N 373.449 2.362 0 1 FEAF O=C1OCC(OCCN2CCOCC2)=C1c1cccc(Br)c1 72171881 SJQRXLWXOFJHHI-UHFFFAOYSA-N 368.227 2.066 0 1 FEAF COc1cc([C@H]2c3cc(OC)c(O)cc3C[C@@H](CO)[C@@H]2CO)ccc1O 238760428 OEZZQOVAJDAVSJ-KPHUOKFYSA-N 360.406 2.020 0 1 FEAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1nc2ccccc2s1 473082788 LHRLGGIETKGGNS-ZDUSSCGKSA-N 358.423 2.243 0 1 FEAF COC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591460 CNFGKOBKVXANRA-APWZRJJASA-N 358.346 2.302 0 1 FEAF Cc1c(I)cnn1[C@H](C)c1nc2cncnc2[nH]1 587183337 XJHVFIVAONQPAB-SSDOTTSWSA-N 354.155 2.072 0 1 FEAF NS(=O)(=O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 587157496 NMWHBTMMZRNJRH-UHFFFAOYSA-N 371.191 2.174 0 1 FEAF CCCCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@]23C=C[C@H]1O3 13147388 AVMYCGJNQUPEPM-BMQTXXJKSA-N 354.450 2.193 0 1 FEAF CCC[C@@H]1CCCO[C@@](C(=O)NCCN2CCOCC2)(C(F)(F)F)C1 13829149 GRDXCLBATSWNRZ-ZBFHGGJFSA-N 366.424 2.353 0 3 FEAF Cc1ccc(Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 169322254 HQKCWFNHKWYNRK-HNNXBMFYSA-N 363.373 2.140 0 1 FEAF Clc1ccc2nc(N3CCNCC3)nc(N=c3cc(C4CC4)[nH][nH]3)c2c1 1857745738 DBXMJQFVRQOIHQ-UHFFFAOYSA-N 369.860 2.459 0 1 FEAF COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(C)(=O)=O)cc1 2940177 MUEZETKLRYQVGH-KRWDZBQOSA-N 360.435 2.020 0 1 FEAF COC(=O)[C@@]12C[C@H]3C[C@H]([C@@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 105381557 VGDQBNXQAOYMPS-CNMRMDGFSA-N 354.450 2.226 0 1 FEAF CC[C@H]1CN2CC[C@]34c5ccccc5-n5c3c(cc(C(N)=O)c5=O)[C@H]1C[C@@H]24 2356546177 CDEKPRALPONZLA-FLOQHRSSSA-N 361.445 2.137 0 1 FEAF COC(=O)C1=C(OC)C(=O)O[C@@H]1C1=C(Cl)c2cc(C)ccc2OC1 1911571892 CWPQBGKMYVIZLG-CQSZACIVSA-N 350.754 2.336 0 1 FEAF CCC1=CN2CC[C@]34c5ccccc5-n5c3c(cc(C(N)=O)c5=O)[C@H]1C[C@H]24 49046702 PAVSKUFNJDSZBQ-KVYZTJHFSA-N 359.429 2.405 0 1 FEAF CC1(C)Oc2ccc([C@H]3COc4cc(O)cc(O)c4C3=O)c(O)c2C[C@@H]1O 238774365 YACZUBKNMXSTQK-WBMJQRKESA-N 372.373 2.237 0 1 FEAF NC1=N[C@@]2(c3cc(-c4cncnc4)ccc3OCC23CC3)C(F)(F)CO1 149270349 QZZCXMLMCPDROH-GOSISDBHSA-N 358.348 2.492 0 1 FEAF CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F 95794007 NBCYIGRVNZFJGW-GOEBONIOSA-N 356.388 2.390 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1[C@H](O)C[C@@]13COC(=O)C1=CC=C[C@H]32 257436052 HLFAIHSSDNMUCZ-KYMCYIMRSA-N 356.374 2.310 0 1 FEAF CC1=NN(C)[C@@H]2C(=O)N(c3ccc(=O)n(C)c3)[C@H](c3ccc(Cl)cc3)[C@@H]12 261106371 HNHMBUOEWPFJPM-KURKYZTESA-N 370.840 2.433 0 1 FEAF COc1nccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 587163792 KZTWZDGGXANKDB-UHFFFAOYSA-N 353.357 2.384 0 1 FEAF COc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1OC 586946198 UERSBQQHXDAJAO-UHFFFAOYSA-N 365.411 2.198 0 1 FEAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cnccc2[nH]1 587128584 MXSYKACFUKUBCY-UHFFFAOYSA-N 362.315 2.382 0 1 FEAF CC(C)CCOc1cc2nc([C@H](O)[C@H](O)CO)[nH]c2cc1Br 586893081 UNUKPLSGVOTIKJ-TZMCWYRMSA-N 373.247 2.137 0 1 FEAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(CCO)cc3[nH]2)cc1 586941350 SIZVVFYESHEXMQ-PKNBQFBNSA-N 371.462 2.496 0 1 FEAF O=C1COC[C@]2(C1)N[C@@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963204092 VTKUDAAJTWXDBZ-YGRLFVJLSA-N 363.719 2.142 0 1 FEAF COC(=O)c1[nH]c2ccc(CC[C@H]3COC(=O)N3)cc2c1CCN(C)C 13605904 RRUQQCLVJXSHIP-ZDUSSCGKSA-N 359.426 2.100 0 1 FEAF NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccccc2Cl)cc1 13803954 XZBCHXZIDAPGAW-UHFFFAOYSA-N 350.783 2.398 0 1 FEAF O=C(Nc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cn1)c1ccncc1 167710820 PCNNZALJVQBHCV-UHFFFAOYSA-N 361.405 2.282 0 1 FEAF N#CN1CC[C@@H](N2Cc3cc(-c4ccccc4)ccc3NS2(=O)=O)C1 1857560353 WCUMZZLTBGHHOW-QGZVFWFLSA-N 354.435 2.381 0 1 FEAF O=C(c1ccc(-c2cncc(-c3cncc(F)c3)n2)cc1)N1CCNCC1 1857638659 JBVJYSGPWJAWIN-UHFFFAOYSA-N 363.396 2.390 0 1 FEAF COc1cc2c(c(OC)c1OC)[C@H](c1cc(C(N)=O)ccc1F)CC(=O)N2 1857761392 NTQSHFXDRAVQHP-NSHDSACASA-N 374.368 2.425 0 1 FEAF Cc1ccc2nc3n(c2c1)[C@H](CNS(=O)(=O)c1ccccc1)COC3 2356302042 KNWDINIDVYRPCH-CQSZACIVSA-N 357.435 2.395 0 1 FEAF Cn1c(=O)c2sccc2n2c(CCCC(=O)NC3CCCCC3)nnc12 6868330 HKTVMVCIERMUDC-UHFFFAOYSA-N 373.482 2.414 0 1 FEAF CO[C@@H]1C[C@@H]2[C@H](CC(=O)c3ccc(O)cc3)C[C@](C)(O)[C@@H]2[C@@H](OC)O1 2356399206 PVROCOPQOJHZLO-XFNZQGHHSA-N 350.411 2.334 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC=C2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@@H]1C 2356434545 VNQVNYIPOUGYKN-KRVYBHFCSA-N 362.422 2.163 0 1 FEAF CCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O 1911581204 KXTYYTPPRXLSCY-UHFFFAOYSA-N 355.486 2.097 0 1 FEAF COc1cc(CNc2nc(N3CCOCC3)ncc2C)cc(OC)c1OC 82202767 NZTVSLGJNSPWMS-UHFFFAOYSA-N 374.441 2.260 0 1 FEAF CC[C@@H](C)NC(=O)c1cnc(NCCNC(C)=O)nc1-c1ccccc1 82133587 RGQMMFMNZRQHGQ-CYBMUJFWSA-N 355.442 2.220 0 1 FEAF Cn1c(NC(=O)c2ccc3nc4n(c3c2)CCCNC4=O)nc2ccccc21 147146905 XUAKNRZAHPCZNV-UHFFFAOYSA-N 374.404 2.309 0 1 FEAF NC(=O)c1ccc(N2CCN(c3ccc(F)c(F)c3)CC2)c2cncnc12 144937919 JOECQKOCYLJSCL-UHFFFAOYSA-N 369.375 2.334 0 1 FEAF COc1cc([C@@H]2Oc3c(ccc4ccc(=O)oc34)O[C@H]2CO)ccc1O 238745410 BROWXLHOQNBXKJ-RDJZCZTQSA-N 356.330 2.381 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 299883407 RHXDAXASSALVLF-WFQHVCGFSA-N 368.518 2.262 0 1 FEAF COc1cccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc(OC)ccc32)c1 299823186 KMSFNUUSZSXKIZ-IBGZPJMESA-N 367.401 2.459 0 1 FEAF C[C@H]1CC[C@H](Oc2nc(N)c3c(=O)ccn([C@@H]4CCC[C@H]4O)c3n2)CC1 299814830 MHTYRJRAANRRFD-AAVRWANBSA-N 358.442 2.417 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H]4CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O 587448873 HNGIYAIMRFDCGS-BINDOVRGSA-N 356.374 2.271 0 1 FEAF COC(=O)c1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1 586952461 GHUBNSFPVMEIDA-UHFFFAOYSA-N 365.455 2.348 0 1 FEAF NC(=O)c1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587007824 FFUDZOYFRRDVHQ-UHFFFAOYSA-N 357.171 2.134 0 1 FEAF COc1cc(/C=C/c2nc3c(O)nc(N)nc3[nH]2)ccc1Br 586976186 DXUKOLDBOITYCO-HWKANZROSA-N 362.187 2.582 0 1 FEAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3nc(Cl)c[nH]c-3n2)cc1 586940865 IPVXHXBAPAAKLH-SREVYHEPSA-N 363.830 2.357 0 1 FEAF O=S(=O)(Nc1ncnc2[nH]nc(O)c12)c1cccc(Cl)c1Cl 1772576722 PGRGKRXPFYRQPM-UHFFFAOYSA-N 360.182 2.166 0 1 FEAF CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@H]4[C@H](C)OC[C@@H]([C@@H]4CC2=O)[C@@H]13 14717945 FMZMLKGLGADCPQ-YJVSXPJCSA-N 368.477 2.235 0 1 FEAF CN(C)C(=O)[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CCC1 14947797 RKVLCULMNRWRQL-OALUTQOASA-N 369.440 2.224 0 1 FEAF CCOC(=O)N1C(=O)C[C@H](C(=O)N2CCCC2)[C@H]1c1ccc(OC)cc1 206024460 WORSVDFYIKPLPB-DOTOQJQBSA-N 360.410 2.364 0 3 FEAF C/C=C(\C=N)c1ncc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)c(O)n1 1857556914 SYSNWVRIFFGJMH-KQJPQRSNSA-N 356.430 2.276 0 1 FEAF CN(C(=O)Cc1ccccc1N)[C@H](CN1CC[C@@H](O)C1)c1ccccc1 598013 SYMWUCVROYSIKP-UYAOXDASSA-N 353.466 2.078 0 1 FEAF CN(C)C(=O)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(CC2CCCCC2)nn1 2356301173 RQODQLZWDGKWKT-YTQUADARSA-N 359.518 2.200 0 1 FEAF O=C(CCS(=O)(=O)Cc1ccccc1F)NCCCN1CCCCC1 2941306 HBWPJQXYYGDZSX-UHFFFAOYSA-N 370.490 2.123 0 3 FEAF O=C(NC1CCCC1)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2 20724156 SPYLNXMOZSKOQY-SFHVURJKSA-N 361.467 2.062 0 1 FEAF COc1ccc2[nH]c([125I])c(CCNC(C)=O)c2c1 100058037 FJDDSMSDZHURBJ-XSBOKVBDSA-N 356.180 2.460 0 1 FEAF in-vitro CC(=CCC[C@@]12O[C@H](CCC(C)=CCO)[C@@](C)(CC[C@H]1O)OC2=O)CO 2356386749 VJRMCVCBCDACOE-HNBVOPMISA-N 368.470 2.018 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C[C@H](O)[C@]13COC(=O)[C@@H]1C=CC[C@@H]32 2356464555 NYEJHAGTUYDMIT-QXZAJCAHSA-N 356.374 2.310 0 1 FEAF CC=C1CN2[C@H]3C[C@@]45c6cc(OC)ccc6N[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)OC 2356511453 IRMHHGGGRPOHRY-RBXHMHSTSA-N 368.433 2.254 0 1 FEAF CC[C@H]1CN2CC[C@@]34c5ccccc5-n5c3c(cc(C(N)=O)c5=O)[C@H]1C[C@@H]24 2356546179 CDEKPRALPONZLA-NONKOEHBSA-N 361.445 2.137 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@H](C)[C@@]21C 2356692451 WKMBTXJFBQEZHO-QHUDUFQSSA-N 362.422 2.452 0 1 FEAF CC[C@H](C=CC=CC(=O)O[C@@H]1C=CC2=C[C@H](O)[C@H](O)C[C@]2(C)[C@H]1C)CO 2356722267 BFGGWRJEFCPXHU-ZQOFHFEXSA-N 362.466 2.293 0 1 FEAF COc1cccc(NC(=O)N2CC[C@H](CO)N(C)c3cccnc3C2)c1 2356761694 WBKJRLLXNAOZEK-OAHLLOKOSA-N 356.426 2.325 0 1 FEAF CN(C)CCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085523 JBGNOAVVRGJXCK-ZDUSSCGKSA-N 363.439 2.113 0 1 FEAF CCCC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195377226 STRMKLVHDMFVTN-RXGNLYLCSA-N 355.434 2.226 0 1 FEAF CC(C)C(=O)c1c(O)c2c(c3c1OC(C)(C)[C@@H](O)C3)O[C@H](C(C)(C)O)C2 143185743 ICOCIMFFQBVFCG-STQMWFEESA-N 364.438 2.380 0 1 FEAF C[C@H]1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@H]1C(=O)OC[C@H]1O 96935361 LNWUDQLCSLNXLR-JVJRNQPISA-N 354.487 2.122 0 1 FEAF CN1CCN(CC(=O)NN2c3ccccc3CCc3ccccc32)CC1 68589751 SWWWFPQNINDCHB-UHFFFAOYSA-N 350.466 2.202 0 1 FEAF biogenic CCCCc1nc(Cl)c(C(=O)N[C@@H](CCSC)C(=O)OC)n1C 473132736 VNIVWECYRGUVEE-JTQLQIEISA-N 361.895 2.441 0 1 FEAF COc1cc2c3c(c1)O[C@]1(CC=Cn4c1nc(Cl)cc4=O)[C@@H](C2)C3=O 587420176 IYUYOSJPNNDMNT-BBATYDOGSA-N 356.765 2.423 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(N)nc4ccccc34)[nH]c12 587254440 TZUOVPGWUJXTKK-UHFFFAOYSA-N 367.434 2.611 0 1 FEAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3nc(Cl)c[nH]c-3n2)cc1 586940866 IPVXHXBAPAAKLH-VOTSOKGWSA-N 363.830 2.357 0 1 FEAF COC(=O)c1ccnc([C@@H]2CCCc3cc4c(O)nc(O)nc4nc32)c1 587559379 YBPOSYBVJKJUTM-NSHDSACASA-N 352.350 2.086 0 1 FEAF CC(C)N(CCO)C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 11815301 UDMXZMIRSPJMLC-OAHLLOKOSA-N 352.862 2.308 0 1 FEAF N=C(N)c1cc2[nH]c(-c3cccc(OC[C@H]4CCCN4)c3O)nc2cc1F 12354921 OQUWSJYELDQMCU-SNVBAGLBSA-N 369.400 2.489 0 1 FEAF CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3cc(N(C)C)ccc23)C1=O 13587566 JAQNJKSJWBJPRF-UHFFFAOYSA-N 365.315 2.357 0 1 FEAF O=C(O)CN1CC[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1 169711850 JQPOEJGLPPTGAT-ZVDOUQERSA-N 356.466 2.077 0 1 FEAF O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)N1Cc2ccncc2C1 167267083 MJBHHDHNUQHFIW-UHFFFAOYSA-N 352.394 2.102 0 1 FEAF COc1nc(Br)cnc1NS(=O)(=O)c1cccs1 136488042 KSBYJSKJHOBUJD-UHFFFAOYSA-N 350.219 2.110 0 1 FEAF C[C@@H](S[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O 28756602 JVZOJVSKVSEJNC-YUELXQCFSA-N 365.451 2.270 0 1 FEAF CC=C1CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@]2(O)C[C@H]1[C@@]3(OC)C(=O)OC 2356784905 QOSKOZFUYJBOHK-GWKIZSTFSA-N 368.433 2.078 0 1 FEAF C[C@H](O)[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)OCc1ccccc1 71341283 ZXLCXYXDIGHCMT-LIRRHRJNSA-N 364.401 2.457 0 1 FEAF COc1cc2c(cc1O)[C@@]13C(=O)c4c(ccc5c4OCO5)[C@@H]1O[C@@H](C2)N3C 13308876 HWEUMEIJVMZCHG-RYGJVYDSSA-N 367.357 2.107 0 1 FEAF biogenic Cn1cc2c(nc(NCCCCCCO)n3nc(-c4ccco4)nc23)n1 95573288 ALQICOJQDRHPNA-UHFFFAOYSA-N 355.402 2.236 0 1 FEAF Cc1cc(Br)ccc1OCc1nc2c(O)nc(O)nc2[nH]1 586981118 KTVWIOANHWOWHR-UHFFFAOYSA-N 351.160 2.414 0 1 FEAF CCC12CN3CN(C1)CC(CC)(C3)C21NCCc2c1c(C(C)C)nn2C 962913042 QJSPPVFBILPACZ-UHFFFAOYSA-N 357.546 2.280 0 1 FEAF C=CC(=O)N1CCC[C@@H](n2nc(Cc3ccccc3)c3c(N)ncnc32)C1 1772596830 NTYXFJPDTRPPAO-OAHLLOKOSA-N 362.437 2.349 0 1 FEAF COC(=O)[C@H](Cn1ccnc1)NC(=O)c1nc2ccc(Cl)cc2s1 1772630727 NSCWGOSRGQMSKT-NSHDSACASA-N 364.814 2.118 0 1 FEAF O=C(NCCc1cnccn1)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 11879170 FGGLQASIYNCNNY-HNNXBMFYSA-N 372.856 2.228 0 3 FEAF COC1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 14961816 LANNRJANMZXCBC-MRXNPFEDSA-N 362.445 2.244 0 3 FEAF COc1cccc(C[C@]2(CO)CCCN(C(=O)C3=C(C)OCCO3)C2)c1 15068949 RZMRVEGCGOVVTF-HXUWFJFHSA-N 361.438 2.117 0 1 FEAF CCC1=C(O)CC(O)=C([C@@H]2NN[C@H](C)[C@@H]2[C@@H]2N[C@@H]3CCCC[C@@H]3N2C)C1 169356130 HUFRUXGBKDWBPS-XWBRVDIKSA-N 362.518 2.468 0 1 FEAF COC[C@H](C)NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166842419 IUGOYKSTOMDMIJ-ZDUSSCGKSA-N 354.410 2.394 0 1 FEAF O=C(C[C@]1(c2ccc(F)cc2)C2C[C@@H]3C[C@H](C2)CC1(O)C3)N1CC(O)C1 209860557 MNXGDJZVDYAHNU-MNGBBYEOSA-N 359.441 2.228 0 1 FEAF CS(=O)(=O)c1nc(-c2ccc(OCc3nc4ccccc4[nH]3)cc2)n[nH]1 1857636834 JTXYZZPGXRBSPF-UHFFFAOYSA-N 369.406 2.331 0 1 FEAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCCCN1CCCC1 2467836 VBICNPAELHVRMC-FQEVSTJZSA-N 359.470 2.428 0 1 FEAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCOCCO 4213625 BWTXJVUGVUDTEA-IRXDYDNUSA-N 352.431 2.419 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC=C2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 2356434546 VNQVNYIPOUGYKN-OZNVVAOVSA-N 362.422 2.163 0 1 FEAF COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@H](c3ccncc3)[C@H]1C2 72182213 BUJZAYWHDVQZSM-SUMWQHHRSA-N 354.435 2.276 0 1 FEAF CCOc1ccc(S(=O)(=O)NC[C@@H]2CCCN2CC)c2cccnc12 34859974 ZIFTWCKTSOPRPK-AWEZNQCLSA-N 363.483 2.396 0 1 FEAF C[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@H](O)[C@]2(O)CO)[C@@]1(C)CCc1ccoc1 36378726 HPTJKMDEFYCHJK-MLEIXFNDSA-N 352.471 2.120 0 1 FEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC[C@@H]4OCC[C@@]4(C1)[C@@H]23 14594540 VCQDLWMBEJFDFJ-NASSWSRMSA-N 352.434 2.434 0 1 FEAF biogenic CCCCC(=O)O[C@@H]1CO[C@@H]2[C@@H](OC(=O)NCc3ccccc3)CO[C@H]12 40956462 CFMVNQSTYPRCII-CYGHRXIMSA-N 363.410 2.181 0 1 FEAF in-vivo CCCC(=O)[C@H]1C(=O)N=c2ccc(Cl)c3c2=C1c1ccccc1C3=O 18006781 PYESCAYHOIOAGK-GOSISDBHSA-N 351.789 2.229 0 1 FEAF biogenic CN(CC(=O)NCc1ccccc1N)C(=O)c1coc(-c2cccs2)n1 82085656 ISTVWVNWBRCDMO-UHFFFAOYSA-N 370.434 2.374 0 1 FEAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)CC2=Cc3ccccc3N[C@@H]21 224908897 KLWPJMFMVPTNCC-PXNSSMCTSA-N 350.374 2.067 0 1 FEAF O=C1NC[C@@H]2c3c(cccc31)CCN2C(=O)CCn1cnc2ccccc21 45364223 FGLHZNPVUKEYLX-GOSISDBHSA-N 360.417 2.296 0 1 FEAF C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]1(O)CC[C@@H]1C=COC1=O 238751211 AFZLENSRRTZYFM-VIGAWUGFSA-N 362.422 2.141 0 1 FEAF C/C=C/c1ccc([C@H]2[C@H](CO)N(C(C)=O)[C@H]2CNC(=O)CC2CC2)cc1 95895634 QHKKTSVDENPXAS-HVFZGVATSA-N 356.466 2.311 0 1 FEAF NC(=O)c1ccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962955891 AFQNEPJRSLSRML-IUODEOHRSA-N 366.751 2.405 0 1 FEAF COc1cccc2c1OC[C@@]1(C2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963522015 DOOSDTZIZGFTIA-MGPUTAFESA-N 355.390 2.139 0 1 FEAF COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1OC 5891456 LRANACXXEDNIGR-UHFFFAOYSA-N 370.413 2.136 0 1 FEAF COc1ccccc1CN1C[C@H](C(=O)NCc2ncccc2C)CCC1=O 12304444 RRZQXAHENXGZOG-QGZVFWFLSA-N 367.449 2.454 0 3 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C 14782186 WKMBTXJFBQEZHO-GYZMISOHSA-N 362.422 2.452 0 1 FEAF endogenous,in-man CCCCNC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccccn1 169340089 GVCJKZABNJIJKD-IBGZPJMESA-N 353.422 2.460 0 3 FEAF O=S(=O)(c1ccccc1)n1cc2c3c(cccc31)N1CCNC[C@@H]1C2 169351339 GJMOESWNGQCUNG-HNNXBMFYSA-N 353.447 2.213 0 1 FEAF CC(C)Cc1ccc([C@H](C)C(=O)OC[C@@H](O)[C@H]2OC(=O)C(O)=C2O)cc1 169615481 ZQTNXXZZAJDJNM-FABXCBLPSA-N 364.394 2.146 0 1 FEAF Cn1cc(NC(=O)c2cccc(-c3ccc(C4CC4)nc3)n2)c(C(N)=O)n1 1857538934 CGIKUWBEYOYGOY-UHFFFAOYSA-N 362.393 2.106 0 1 FEAF CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OC)cc1 2652655 YVAAGWBTLHBBEE-GOSISDBHSA-N 374.462 2.410 0 3 FEAF OC[C@@H]1[C@H](O)C[C@H](NCc2ccccc2F)[C@@H]1Cc1ccnc(C2CC2)n1 2356288642 ILCBFGPWRHSWIA-LCLWPZTBSA-N 371.456 2.183 0 1 FEAF O=C(O)CCc1c(C(=O)O)[nH]c2cc(I)ccc12 103297417 XMHAGVWWGNNOTI-UHFFFAOYSA-N 359.119 2.488 0 1 FEAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3ccccc3F)C[C@@H](O)[C@H]2CO)n1 2356289060 OVROJTCYYNQQHS-RAUXBKROSA-N 373.472 2.429 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 100829347 YOQIGAVHLYFIAF-PVWSVIRFSA-N 364.438 2.243 0 1 FEAF endogenous,in-man O=C(COc1ccccc1)N1C[C@H](F)[C@@H](OCc2nc3cccnc3[nH]2)C1 2356299014 QYFQIVGGJUDPPF-HOCLYGCPSA-N 370.384 2.102 0 1 FEAF CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](CCO)(CC[C@H]12)[C@@H]43 2356546293 GUUBDRGMQKDEAV-OYNPSCLESA-N 356.466 2.396 0 1 FEAF Cc1nccc(C[C@@H]2[C@H](NCc3cccc(Cl)c3)C[C@@H](O)[C@H]2CO)n1 2356708951 JFQALEVOTKYULN-INDMIFKZSA-N 361.873 2.129 0 1 FEAF C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4C[C@@H](C)O[C@H](C)C4)[C@H]3[C@@H](O)[C@]21C 504748180 AGRFRTKLCPEWTJ-GMNPQXCTSA-N 363.498 2.381 0 1 FEAF biogenic COc1cc2c(cc1O)[C@H]1O[C@@H](O)c3c(ccc4c3OCO4)[C@H]1N(C)CC2 33832591 DPRSKEMBOBQDJV-QWFCFKBJSA-N 371.389 2.421 0 1 FEAF biogenic,in-vitro CN(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O 84724300 FUCYSTKEKHXIGJ-UHFFFAOYSA-N 365.433 2.368 0 1 FEAF COCCOc1ccc2[nH]nc(-c3cc(N4CCO[C@@H](C)C4)ncn3)c2c1 225565081 ULHKRIAGDOBEOX-ZDUSSCGKSA-N 369.425 2.270 0 1 FEAF CC(C)=CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 82196247 ZCKMNUQBLUDJCO-UHFFFAOYSA-N 352.394 2.373 0 1 FEAF Cc1cc(=O)n(CCCOc2ccc(Cl)cc2)c(N2CCNCC2)n1 45290590 WRAJZSHZYSINSP-UHFFFAOYSA-N 362.861 2.084 0 1 FEAF C[C@@H](O)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1 149247739 WVOQEAUFVNPCJM-CYBMUJFWSA-N 362.433 2.500 0 1 FEAF COc1cccc(N2C(=O)N[C@@H]3CCN(C(=O)c4cccs4)[C@H]3C2=O)c1 25229167 UQWXJPFKVHBDCW-UKRRQHHQSA-N 371.418 2.096 0 1 FEAF biogenic COC(=O)c1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587399864 KMXCEGZXPSKCLQ-LJQANCHMSA-N 352.346 2.177 0 1 FEAF CCO[C@@H]1OC(C(N)=O)=C[C@H](c2coc3ccccc3c2=O)[C@H]1CCCO 13656427 LPMHBDFMIOJNJD-TUXXCZFBSA-N 373.405 2.027 0 3 FEAF CNC(=O)C(=O)NCCCC/C=C\CCCCCCCOCC(=O)O 1857572396 GBCLVAWSOQENHD-HYXAFXHYSA-N 356.463 2.017 0 1 FEAF O=C(CN1CCOCC1)Nc1cccc(OC2CCN(C3CCC3)CC2)c1 1857543987 MAMYYKFGDRAMFJ-UHFFFAOYSA-N 373.497 2.353 0 1 FEAF O=C1Nc2ccc(C=Cc3ccc(O)cc3)cc2C(=O)N2C[C@@H](O)C[C@H]12 2356314377 FESHBJMOZADKSM-MAUKXSAKSA-N 350.374 2.090 0 1 FEAF NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccccc4)nn23)cc1 103269637 IKEZPRQGHTVWCB-UHFFFAOYSA-N 357.420 2.167 0 1 FEAF COc1ccccc1S(=O)(=O)Nc1cnn(Cc2c(C)noc2C)c1 116674054 QPRGUSMDUQLRMG-UHFFFAOYSA-N 362.411 2.346 0 1 FEAF C[C@@]1(C(=O)O)[C@H]2CCC3=C[C@H]4C[C@]3(CC[C@]4(O)CO)[C@]2(C)CC[C@H]1O 2356492744 BUHBLMJCWYBYOC-UYXVUSGVSA-N 350.455 2.098 0 1 FEAF Cc1ccc2c(NC(=O)[C@H](C)O)c(O)c3c(c2n1)C=C[C@]1(C)C=CC(=O)N31 2356792258 JMWGAVNXQRWSGS-PRWKNARSSA-N 365.389 2.256 0 1 FEAF CC(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)Nc1cccc2ccccc12 2356842552 MVOQAYJFPWZODK-ZJPYXAASSA-N 356.378 2.059 0 1 FEAF CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2c1OCC(=O)N2 45258932 BQXRBRILGVDRAQ-INIZCTEOSA-N 356.422 2.367 0 1 FEAF O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc([C@H](O)C5CC5)nc4)ccc3N12 95582454 YWILQAYCYZIDHW-YTQUADARSA-N 368.389 2.271 0 1 FEAF COc1ccc2c(c1)CN[C@@H]2CS(=O)(=O)NCc1ccc(F)cc1 96020220 KJWSJAYZKVPZLL-QGZVFWFLSA-N 350.415 2.098 0 3 FEAF C/C(=C\CC/C(=C/CO)CO)CCC[C@H](CO)CCCC(CO)CO 238755217 HAJHXJNFUIBKOA-MLCXVETBSA-N 358.519 2.174 0 1 FEAF S=C(SCc1cn(Cc2ccc(Cl)cc2)nn1)N1CCNCC1 95586974 VCOUPGLXUYUMOB-UHFFFAOYSA-N 367.931 2.403 0 1 FEAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 261152745 PFWKPGQADPWDGT-MGCOHNPYSA-N 370.397 2.387 0 1 FEAF CCn1cc(Br)c(Cc2nc3cc(C(=O)OC)ncc3[nH]2)n1 587000728 PVVAWWGPDMBQLT-UHFFFAOYSA-N 364.203 2.314 0 1 FEAF Cc1c(I)cnn1[C@H](C)c1nc2ccnc(O)c2[nH]1 587183440 YSDBUAVNGQSTAO-SSDOTTSWSA-N 369.166 2.382 0 1 FEAF CC(=O)Nc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1O 962905171 OTORTQNACGICTN-KXBFYZLASA-N 358.369 2.352 0 1 FEAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccc(Cl)cc1 1772573116 JFIHIFNEEVOXAR-CYBMUJFWSA-N 357.753 2.178 0 1 FEAF OCc1ccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)o1 11819190 RMPXZMTVOYQZIF-UHFFFAOYSA-N 353.378 2.449 0 1 FEAF CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(S(C)(=O)=O)cc1 13917737 OFKYROVDFKBXPL-HNNXBMFYSA-N 352.456 2.210 0 1 FEAF CC(=O)Nc1nc2c(Oc3cc(N4CCNCC4)ncn3)cccc2s1 14974157 FYZDHIIYNMCEHU-UHFFFAOYSA-N 370.438 2.247 0 1 FEAF CC(C)(O)CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)[C@@H](O)C2=O 156555741 YUENQIMBXUVCLX-ROUUACIJSA-N 374.389 2.184 0 1 FEAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1C(=O)C[C@@H]1[C@]3(C)CCCC(C)(C)[C@@H]3C[C@@H](O)[C@@]21O 2356380304 ZVUXDKNPHFTWRA-RPVRTSMTSA-N 350.455 2.081 0 1 FEAF Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 4163470 QXOJTFWJEHKOAC-UHFFFAOYSA-N 365.389 2.237 0 3 FEAF O=C(Nc1ccc(C2=NCCN2)cc1)c1cc2ccc(C3=NCCN3)cc2o1 6535485 CJFUDTPVJOJIIZ-UHFFFAOYSA-N 373.416 2.385 0 1 FEAF O=c1ccc2cc(OC[C@@H](O)CNCCCc3ccccc3)ccc2[nH]1 27179998 GSVDBDZXAZJJSZ-SFHVURJKSA-N 352.434 2.490 0 1 FEAF CCOc1ccccc1C(=O)N1C[C@@H]2CN(c3nccc(OC)n3)C[C@@H]2C1 116823687 KNSQXGQTBLTKPU-GASCZTMLSA-N 368.437 2.092 0 1 FEAF CO[C@@H]1C[C@]2(C)CC[C@]3(C)[C@H](C[C@H]4O[C@@]3(O)[C@H](O)[C@@H]4CO)C2=C1C(C)C 2356837836 LNOVVADOOMBUOP-HPQLARJISA-N 366.498 2.241 0 1 FEAF C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@](O)(CC[C@]12O)[C@@]1(CO1)C3 35066353 YPCIKXMTKJCYQR-FQALRZLUSA-N 350.455 2.483 0 1 FEAF O=C1N=C(Nc2ccc3c(c2)OCCO3)N/C1=C\c1ccc2c(c1)OCO2 72109310 DZVXEFRGRDZOSG-QPEQYQDCSA-N 365.345 2.125 0 1 FEAF COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21 43202214 OHELVELDNLQVJI-HXUWFJFHSA-N 371.481 2.157 0 1 FEAF C/C=C1\CN2CC[C@]34c5ccccc5N(C)[C@@]35OC[C@@]4(C(=O)OC)[C@@H]1C[C@H]25 195466018 HAGBWVNSVWLTKY-IAMGRWMISA-N 366.461 2.314 0 1 FEAF O=C(O[C@H]1CCN2C[C@H]3C[C@H](C(=O)N4CCCC[C@H]34)[C@@H]2C1)c1cc[nH]c1 238735082 UWHDHUKDMHBCOD-ICUGJSFKSA-N 357.454 2.035 0 1 FEAF COCCc1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccn12 653806303 PVFVQJRDRDIIOR-UHFFFAOYSA-N 353.378 2.353 0 1 FEAF NC(=O)c1cccc(C[C@H](N)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587259399 DTIXTPKJRRZUNX-QMMMGPOBSA-N 352.291 2.461 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C=C(CN4CCCCC4)OCC1=O)[C@@H](C2)C3=O 587445381 WHKTURLWFKIBPF-HRAATJIYSA-N 369.417 2.151 0 1 FEAF N=c1[nH]cc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc-2[nH]1 587258810 SVQWOBCRMMTGIK-AWEZNQCLSA-N 361.409 2.289 0 1 FEAF NC(=O)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587127208 OMZJSGXTKGRAQS-UHFFFAOYSA-N 370.312 2.017 0 1 FEAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H](C)O)[nH]c2c1 586893309 VJJOGOKREYEHFM-LLVKDONJSA-N 361.423 2.296 0 1 FEAF Cn1cc([C@]2(C(=O)O)c3cccc(F)c3CCN2[C@@H]2CCSC2)cn1 962721758 WNKYDRPSBORLKV-FZKQIMNGSA-N 361.442 2.251 0 1 FEAF C[S@@](=O)CCCCNC(=S)SCCNC(=O)OC(C)(C)C 1857555322 AMBGNANBFJVPDV-OAQYLSRUSA-N 354.563 2.278 0 1 FEAF CCCn1c(=O)c2c(nc3[nH]c(CC)c(C)n32)n(Cc2ccccc2)c1=O 13648074 HXRUQROKFKMUEI-UHFFFAOYSA-N 365.437 2.468 0 1 FEAF COc1cc(O)c2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C(N)=O 205840295 MHBKTJCFWOZXSE-GFCCVEGCSA-N 354.362 2.331 0 1 FEAF Cn1nc(/C=C2\C[C@@](CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc21 1857633304 JUQWOEUIWMGUBF-CWUFLNSKSA-N 372.421 2.224 0 1 FEAF NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2cccc(Cl)c2)cc1 581583 ZZCBOUGLBWORTF-UHFFFAOYSA-N 350.783 2.398 0 1 FEAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)C[C@H](CC(=O)O)CO3)cc1 3825060 FFYHCEWZIRARDA-LLVKDONJSA-N 353.378 2.249 0 1 FEAF O=C(CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)NCc1cccnc1 6750283 JUALTJWSRNINBJ-IBGZPJMESA-N 374.400 2.260 0 1 FEAF CCOC(=O)Cn1nc(Nc2ccccc2Br)ccc1=O 103211297 FOBFZOSMFVYZSN-UHFFFAOYSA-N 352.188 2.313 0 1 FEAF CCOC(=O)c1cnc(-c2ccc(F)cc2)nc1NN1C(=O)C=C(C)C1=O 29394002 BFUXXUCYXDKBGL-UHFFFAOYSA-N 370.340 2.101 0 1 FEAF O=P(O)(O)CN[C@H](Cc1ccc2c(c1)oc1ccccc12)c1nnn[nH]1 27554111 HYXPDXHZGJELSV-CYBMUJFWSA-N 373.309 2.108 0 1 FEAF O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCn2c1nc1ccccc12 20558996 WJFPSRKYHXLXAY-UHFFFAOYSA-N 365.418 2.431 0 1 FEAF CC[C@H](C)NC(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc(F)cc1 82141177 UPVBRNSSLCNHES-LBPRGKRZSA-N 373.432 2.359 0 1 FEAF Nc1cc(OS(=O)(=O)c2ccccc2)nc(SCC(F)(F)F)n1 43022466 XBIUXFVIXNAAKL-UHFFFAOYSA-N 365.358 2.481 0 1 FEAF Cc1nnc2n(NC(=S)NC34CC5CC(CC(C5)C3)C4)c(C)nnc1-2 84616387 DMGKKKOZEGLWID-UHFFFAOYSA-N 357.487 2.177 0 1 FEAF O[C@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(c2ccccc2)CC1 253640326 YQRZGAQHXYANNE-YADHBBJMSA-N 351.494 2.444 0 1 FEAF Nc1nc(O)c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2n1 587017228 IIRDIAWZPZYRTB-UHFFFAOYSA-N 352.379 2.366 0 1 FEAF CC1=C(c2ccc3nc(-c4c(N)cccc4C(=O)O)[nH]c3c2)NNC(=O)C1 587249751 IVFRDFCDLCRJIO-UHFFFAOYSA-N 363.377 2.266 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587230576 IFDVDXOPKIVBBD-OLZOCXBDSA-N 359.426 2.371 0 1 FEAF CC[C@H](NC(=O)Cn1nnnc1CN1CCCCCC1)c1ccc(F)cc1 12706878 WKJVOTCEOPXUHQ-KRWDZBQOSA-N 374.464 2.456 0 1 FEAF O=C1CN(O)C(c2ccccc2Cl)=c2cc(Br)ccc2=N1 13118185 YNKDPCTZJPAZJC-UHFFFAOYSA-N 365.614 2.110 0 3 FEAF O=C1OC[C@@H]([C@H](O)c2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 14637213 NHMODCAASJDQKF-PJIJBLCYSA-N 370.357 2.209 0 1 FEAF CN(C)C(=O)n1c(CN2CCN(c3ccccn3)CC2)nc2ccccc21 27302315 JBDSKBUSDDHPEB-UHFFFAOYSA-N 364.453 2.283 0 1 FEAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H](OC(=O)C(C)=CCO)C1 2356539852 CFUOHDSKOJEYFL-NRSFXHEJSA-N 364.438 2.063 0 1 FEAF COc1cc2c(cc1OC)[C@@H]1[C@H](O[C@@H]2OC)[C@H](OC)C=C2CCN(C)[C@H]21 2356666016 IFQRJDGCHMHOMX-IVDHNXQLSA-N 361.438 2.490 0 1 FEAF CC[C@H](C=CC=CC(=O)O[C@@H]1C=CC2=C[C@H](O)[C@H](O)C[C@@]2(C)[C@H]1C)CO 2356722264 BFGGWRJEFCPXHU-BRKRJZBWSA-N 362.466 2.293 0 1 FEAF CC1=C2[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@]3(C)[C@H](CC[C@H](O)[C@@H]3C)C[C@H]2OC1=O 137863939 MTYSOJAHTIASFA-DZDBYSCMSA-N 364.438 2.135 0 1 FEAF COc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H](CC(C)(C)O)C[C@@H]4[C@@H](C2)N(C)CC[C@]341 195349822 BTDCAZOVYZIULV-YVOOCCDDSA-N 373.493 2.112 0 1 FEAF CCc1ccc(Oc2ccc(S(=O)(=O)NCCO)cc2F)c(O)c1 95572821 MPIFKQHADMZLTM-UHFFFAOYSA-N 355.387 2.157 0 1 FEAF CC(=O)N=c1cccc2n(C)c(-c3cccc(OC(=O)N(C)C)c3)cn12 377836374 BSXYNWXJSDYDGT-UHFFFAOYSA-N 352.394 2.452 0 1 FEAF N=c1[nH]oc2ccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)cc12 473114086 ITPVXDDJHXLJMW-UHFFFAOYSA-N 362.349 2.110 0 1 FEAF COc1ccccc1N1CCN(C[C@@H]2COC3(CCSCC3)O2)CC1 299818826 AKODHNGEOUFORT-MRXNPFEDSA-N 364.511 2.456 0 1 FEAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(CCO)cc3[nH]2)cc1 586924961 DBUTXWQVFNMSTF-UHFFFAOYSA-N 372.446 2.317 0 1 FEAF CCOC(=O)CC[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444320 YYWFGNPUDOCVMQ-YJYMSZOUSA-N 362.378 2.088 0 1 FEAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1 587786886 SENQEOLNAHDMAV-STQMWFEESA-N 371.418 2.154 0 1 FEAF COC(=O)c1cccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12 586948618 KITDGPMMBPTFOC-UHFFFAOYSA-N 359.407 2.312 0 1 FEAF Cn1ncc([C@]2(C)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)n1 963180083 GBOPWDZLUDYZNA-SMDDNHRTSA-N 374.750 2.350 0 1 FEAF CS(=O)(=O)c1c(F)cccc1[C@@H]1c2ccsc2CCN1C(N)=O 962701245 AGLQNGDJXCHBJM-ZDUSSCGKSA-N 354.428 2.317 0 1 FEAF COc1n[nH]c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12 1772657598 VXOSMMWWEUDVMB-UHFFFAOYSA-N 374.209 2.469 0 1 FEAF C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@H](C)c1ccccc1)C2=O 13121094 MUHJSZSXIZAGRR-AUSJPIAWSA-N 357.454 2.407 0 1 FEAF O=C1C=C([C@@H]2CC(=O)[C@@H](O)c3cccc(O)c32)C(=O)c2c(O)cccc21 13480449 DPGMBELUGAWLHC-WLRWDXFRSA-N 350.326 2.193 0 1 FEAF biogenic COc1cc2c(=O)n(Cc3ccc4c(c3)OCO4)cnc2c(OC)c1OC 13737681 MZDQRUNXIDYLIR-UHFFFAOYSA-N 370.361 2.199 0 1 FEAF COc1cc2c(cc1O)[C@@H]1O[C@@H](O)c3c(ccc4c3OCO4)[C@H]1N(C)CC2 15257558 DPRSKEMBOBQDJV-WSTZPKSXSA-N 371.389 2.421 0 1 FEAF endogenous,in-man NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SCCc1ccccc1 1857558370 YEZJTTVQWKXURB-UHFFFAOYSA-N 370.883 2.421 0 1 FEAF Cc1c(N2C[C@H](C)[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520961 CNHUNPQEMUPFEV-VFZGTOFNSA-N 359.401 2.106 0 1 FEAF CC(=O)NC[C@@H]1CN(c2ccc(-c3ccc(CO)cc3)c(F)c2)C(=O)O1 116057447 XBISYWZDDQVGLM-MRXNPFEDSA-N 358.369 2.446 0 1 FEAF CC(=O)OCCC(=O)[C@@H]1[C@@H]2CC[C@H](COC(C)=O)C[C@H]2C=C[C@@]1(C)O 2356790748 FYDYUINNZWREDS-AFQPOQBFSA-N 352.427 2.041 0 1 FEAF Cc1nc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)cs1 114078763 MGSHKJBZVVLKLV-UHFFFAOYSA-N 356.455 2.220 0 1 FEAF CC(C)[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 49055393 HOBVZMQAUGVFAM-WMZOPIPTSA-N 360.454 2.226 0 1 FEAF COC[C@@H]1CN(c2ncnc3[nH]cc(-c4cccc(C#N)c4F)c23)CCO1 224890945 ZKHFKYILMCNJCH-ZDUSSCGKSA-N 367.384 2.487 0 1 FEAF Cc1[nH]c2cccc(F)c2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O 587636766 HTRVGNCLSLMNLG-SJORKVTESA-N 371.416 2.110 0 1 FEAF COc1cc2nc(N3CCOCC3)nc(NC3CCN(C)CC3)c2cc1C 1772656105 AMZOGKNTGRDPFE-UHFFFAOYSA-N 371.485 2.290 0 1 FEAF OCC(CO)OCn1c(Br)nc2c(Cl)c(Cl)ccc21 5932932 SCVGDYXDPJQUFF-UHFFFAOYSA-N 370.030 2.433 0 1 FEAF Cc1ccccc1Nc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 169323732 ADMSARDNXHDXBV-MRXNPFEDSA-N 363.373 2.140 0 1 FEAF O=C(C[C@@H]1CNC(=O)c2cc(-c3cn[nH]c3)cn21)NCc1cccc(F)c1 169332465 MFMLSRTXWSRZJT-MRXNPFEDSA-N 367.384 2.008 0 1 FEAF CC(=O)N1C[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H](C1)N2C 606705 MTXRPDMJUTTWPL-ALOPSCKCSA-N 370.497 2.187 0 1 FEAF CN(C)CCNC(=O)COc1ccc(-c2ncc(-c3ccncc3)o2)cc1 59047010 RPIXXMOFBZXOQR-UHFFFAOYSA-N 366.421 2.460 0 1 FEAF in-vitro NC(=O)c1sc2nc(NC3CC3)nc(-c3ccc4nc[nH]c4c3)c2c1N 73219071 NRUOTOWRFCHSAS-UHFFFAOYSA-N 365.422 2.490 0 1 FEAF COC(=O)c1cc2c(cc1OC)CCN1CCC3=C[C@@H]4OCO[C@@H]4C[C@@]321 14959541 WVGKKVOLNYNBFM-NLWGTHIKSA-N 357.406 2.011 0 1 FEAF biogenic COCCN(CCOC)c1cnc2c3c(nccc13)-c1cccnc1C2=O 136581910 LTTYTBNHKUPCMG-UHFFFAOYSA-N 364.405 2.335 0 1 FEAF C[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCN(C)C 82084034 KAFWDOZMEPFQOF-LBPRGKRZSA-N 362.455 2.110 0 1 FEAF COC(=O)C[C@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCCCC1 40465417 RHPHTLHYFQIZKQ-CQSZACIVSA-N 365.426 2.335 0 1 FEAF CC(C)[C@H]1C[C@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40933261 IEKXWDNCZBHNEV-OCCSQVGLSA-N 352.822 2.293 0 1 FEAF O=C(O)CCCCCC[C@@H]1C(=O)C[C@@H](O)[C@H]1/C=C/[C@H](O)CCCCCO 89456130 LDUBDFDZFOQXGF-FNNHURHCSA-N 370.486 2.448 0 1 FEAF O=C1C=CC[C@H](/C=C/C[C@H]2C[C@@H](O)[C@@H](O)[C@H](/C=C/c3ccccc3)O2)O1 238767994 ITOWMYXEGADZIR-HEZVQIKDSA-N 356.418 2.397 0 1 FEAF biogenic,in-vitro C[C@]1([C@H](O)CO)CC[C@@H]2C(=CC[C@H]3[C@](C)(C(=O)O)[C@@H](O)CC[C@]23C)C1 33834064 MEDUZUJSTHFNDY-CNRZMOCLSA-N 352.471 2.344 0 1 FEAF biogenic COc1cccc(OC)c1-c1ccnc2cc(CC(=O)NC(C)C)nn12 299849921 MQKJEAUTZVYEJR-UHFFFAOYSA-N 354.410 2.481 0 1 FEAF CNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587410336 QTJPWPRXXFXJIM-SFHVURJKSA-N 360.435 2.366 0 1 FEAF COc1cccc(OCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1 13740729 HDNCDAIQTLSPPL-UHFFFAOYSA-N 353.426 2.460 0 1 FEAF COCCCN1C[C@@H]2C(CNC(=O)c3nc(C(C)C)c4ccccn34)[C@H]2C1 1857760630 RJKVTIQAVQBTOO-IAGOWNOFSA-N 370.497 2.402 0 1 FEAF Cc1c(N2C[C@@H](N)C[C@@H]2C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520989 JJKOQKOYPJVYBX-CABZTGNLSA-N 359.401 2.249 0 1 FEAF CCOC(=O)N1CCC(/N=c2/c(-c3ccc(C)c(C)c3)c(O)c2=O)CC1 101508603 IAASHLFNTRUMTK-FXBPSFAMSA-N 356.422 2.433 0 1 FEAF CCCN([C@H]1COc2cccc(OC)c2C1)N1C(=O)[C@H]2CCC[C@H]2C1=O 28764253 GMZUEVUOVVLGAB-KFWWJZLASA-N 358.438 2.411 0 1 FEAF CC(=O)OCc1ccc(NC(=O)N2CC[C@@H](CN3CCCC3=O)C2)cc1 64235727 SXMBABTVPPGJJM-INIZCTEOSA-N 359.426 2.226 0 1 FEAF CC(C)=CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2C(=O)CC[C@H](C)[C@@]21C 2356761855 HZNWMULTMKCKLR-QSNLXHASSA-N 362.422 2.452 0 1 FEAF C[C@@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 39094418 DLRAPJNZWMSBAN-VBNHNSTKSA-N 352.471 2.425 0 1 FEAF CS(=O)(=O)N1Cc2ccccc2C[C@@]2(CCN(Cc3ccncc3)C2)C1 71991859 QVKGLDYJXASQDU-HXUWFJFHSA-N 371.506 2.292 0 1 FEAF CNC(=O)Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1 223678708 DXJALZKECVXZDL-LLVKDONJSA-N 369.454 2.278 0 1 FEAF CCOc1ccc2cc(-c3nn([C@@H](C)CCO)c(N)c3C(N)=O)cnc2c1 221712132 CKYKSFPZSGEXCP-NSHDSACASA-N 369.425 2.122 0 1 FEAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)C1CCCC1 95668033 LXHUATMGBRBCLL-IPMKNSEASA-N 373.497 2.241 0 1 FEAF CC1=NN(C)[C@@H]2C(=O)N(c3ccc(=O)n(C)c3)[C@@H](c3ccc(Cl)cc3)[C@H]12 261106363 HNHMBUOEWPFJPM-BZSNNMDCSA-N 370.840 2.433 0 1 FEAF CCOC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3F)c2N)CC1 299852537 UHZGYMMMRUKFHV-UHFFFAOYSA-N 360.389 2.009 0 1 FEAF NC1CC(Cc2nc3c(I)cnc(Cl)c3[nH]2)C1 587255614 SKMPZPHLQIFLEY-UHFFFAOYSA-N 362.602 2.496 0 1 FEAF Cc1ccc(-c2nnc(SCc3nc4c(N)ncnc4[nH]3)n2C)cc1 586965895 URKSGJMBCOAHTO-UHFFFAOYSA-N 352.427 2.331 0 1 FEAF C[C@@]1(c2ccc(C(F)(F)C(=O)O)[nH]2)N[C@H](C(=O)O)Cc2cccc(F)c21 962916461 DWOAHHKHQNGJER-QFYYESIMSA-N 368.311 2.193 0 1 FEAF NCC(F)(F)[C@@H]1CC[C@]2(C1)N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963236347 WOOUJBQBFWMPDC-XNAIMREJSA-N 361.392 2.423 0 1 FEAF O=S(=O)(O)c1cccc(-c2nn3c(-c4ccncc4)nnc3s2)c1 1772607546 TUOBJUHALGUILC-UHFFFAOYSA-N 359.392 2.162 0 1 FEAF O=COc1cc(OC=O)c2c(=O)cc(-c3ccc4c(c3)OCO4)oc2c1 13334827 WGEIEEMLOAASGV-UHFFFAOYSA-N 354.270 2.259 0 1 FEAF biogenic,in-vitro N[C@@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)C(=O)N1CCSC1 14947638 DWUUSWYECFHFAP-KRWDZBQOSA-N 356.447 2.455 0 1 FEAF COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=C(C)OC(N)=N3)c2)cn1 207698412 GCAKXJGHFCSCNC-SFHVURJKSA-N 371.372 2.341 0 1 FEAF CNCc1cc2cc3c(cc2n1C)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O 142806282 LKTPIDBZGHVPGM-UHFFFAOYSA-N 367.405 2.146 0 1 FEAF COc1ccccc1NC(=O)N1CC[C@H](CO)N(C)c2cccnc2C1 2356290265 NLKMUSIJSWVHOZ-CQSZACIVSA-N 356.426 2.325 0 1 FEAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(=O)cc(C)o1 103213069 QXWLIKHIDHUUKF-UHFFFAOYSA-N 361.394 2.309 0 1 FEAF C[C@]1(O)OC[C@H](C(=O)O)[C@@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]21 2356473307 AQHLWAARHKACOY-FBCIPQHTSA-N 356.422 2.143 0 1 FEAF CC(=O)OCC1=CC[C@H]([C@@](C)(O)CC=C[C@](C)(O)COC(C)=O)CC1 2356779276 PWPSQCADOUKLOZ-FHWLQOOXSA-N 354.443 2.287 0 1 FEAF C[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H](Cn4cnc5[nH]c(O)nc5c4=O)[C@]31CC2(C)C 2356786561 AWGDSXSZEPCQQP-FMKVRNMPSA-N 370.453 2.493 0 1 FEAF COc1ccc(C(=O)O[C@@H]2C[C@H]3C[C@@H](OC(C)=O)[C@@H](C2)N3C)cc1OC 14590294 KKSWMTSSEOMYMM-KLZNWCGWSA-N 363.410 2.027 0 1 FEAF biogenic O=C1N[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc2c(c1)CCCN2 72178469 SRBYXUMXRBXLEA-QGZVFWFLSA-N 357.435 2.500 0 1 FEAF O=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCOCC1 84596546 YYGGKZVZBZYCCL-UHFFFAOYSA-N 355.419 2.299 0 1 FEAF CCCn1c(=O)c2[nH]c(-c3ccc(C(=O)O)cc3)c(O)c2n(CCC)c1=O 40380066 UIZNDBWZKQAOFG-UHFFFAOYSA-N 371.393 2.382 0 1 FEAF COc1ccc([C@H](O)[C@@H](C)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 587936283 KJBOSESNEZXYLE-QLJPJBMISA-N 361.423 2.056 0 1 FEAF C[C@@]1(CN2C(=O)CCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581838 JFEZGEQLUPMLCZ-XLIONFOSSA-N 367.357 2.262 0 1 FEAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C(=O)O)c(O)nc1C)[C@@H](C2)C3=O 587437215 XTNOHXWLBXNKGZ-DJJJIMSYSA-N 355.346 2.465 0 1 FEAF C/C(N)=C1\C(=O)OC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587744555 CHPOKIGZUVHEDT-RJKMQUPRSA-N 355.207 2.107 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ncccn4)ncc23)ccn1 205446083 GRRPVVRLDVUTOQ-UHFFFAOYSA-N 360.381 2.440 0 1 FEAF OC[C@@H]1[C@H](O)C[C@H](NCc2cccc(F)c2)[C@@H]1Cc1ccnc(C2CC2)n1 2356288958 NHEHVGGNMCBRAG-FUMNGEBKSA-N 371.456 2.183 0 1 FEAF CC(C)=CC(=O)O[C@@H]1CC=C2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 2356744699 AYZOKQQDGDMCDQ-VAZNRTMMSA-N 362.422 2.163 0 1 FEAF CN(C)[C]1C=CC(c2noc([C@@H]3CCCN3Cc3ccc(CO)o3)n2)=CN1 2356858668 HPZZFUCJUWWGKV-INIZCTEOSA-N 370.433 2.043 0 1 FEAF C=C[C@]1(C)C[C@](O)([C@@H](O)C(C)(C)O)Oc2c1c(=O)oc1cccc(C)c21 14559630 KXBAKXZOYFTMPG-DFQSSKMNSA-N 360.406 2.148 0 1 FEAF biogenic O=C(Cc1ccccc1)Nc1ccc(Cn2cc3c(=O)[nH]cnc3n2)cc1 40393007 XJWYZNSXBVSPLH-UHFFFAOYSA-N 359.389 2.349 0 1 FEAF O=C1NCCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 139739189 DXRJFNMVCCFFSZ-UHFFFAOYSA-N 356.401 2.298 0 1 FEAF C[C@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 230815112 WTJYDBMHYPQFNJ-WXPQKXNISA-N 368.470 2.222 0 1 FEAF CC1=CC(=O)[C@@H](C(C)C)C[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@](C)(O)C(=O)CC1 299809072 XTTHQGPLWSYZEC-DUSFAAKNSA-N 366.454 2.367 0 1 FEAF O=C1COc2ccccc2N1CCCn1cc(C2(O)CCCCC2)nn1 299828633 RAQXAHHWABJRQA-UHFFFAOYSA-N 356.426 2.246 0 1 FEAF COC(=O)c1ccccc1OCC(N)COc1ccccc1C(=O)OC 2178320294 XQJHZNPMQPZMAV-UHFFFAOYSA-N 359.378 2.045 0 1 FEAF CCSc1ncc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)cn1 11813016 AZYSPGWEQPMZNZ-IAGOWNOFSA-N 350.532 2.400 0 1 FEAF COCCOc1cc2c(cc1OC)C[C@H](C)n1cc(C(=O)O)c(=O)cc1-2 1857774967 OBNASJZWTSGTRH-NSHDSACASA-N 359.378 2.364 0 1 FEAF Cc1cc(C)c2cc([C@H](O)c3nnnn3Cc3ccccc3)c(=O)[nH]c2c1 8674187 RQJINZLIXCPQAE-SFHVURJKSA-N 361.405 2.261 0 3 FEAF O=C(O)CCC[C@H](O)C=CC=CC=C[C@H](O)CC=CCCCCC(O)O 2356285047 ZZSBUQYGAPWEOJ-QZTJIDSGSA-N 368.470 2.449 0 1 FEAF O[C@@]1(Cc2ccc3c(c2)OCO3)COC[C@H]1Cc1ccc2c(c1)OCO2 2356648221 SGVLWHWILVKVNS-QRWLVFNGSA-N 356.374 2.307 0 1 FEAF COc1ccc([C@@H]2Oc3cc(OC)c(OC)c(OC)c3C(=O)[C@@H]2O)cc1 40834826 UXFGHIGFMWSYIA-IRXDYDNUSA-N 360.362 2.398 0 1 FEAF NC(=O)c1c(-c2ccc(N)cc2)[nH]c(C(=O)c2c(F)cccc2F)c1N 45336362 VILUSURUWMRSKK-UHFFFAOYSA-N 356.332 2.454 0 1 FEAF CCc1nc(C(=O)N2CCC[C@@H](C(=O)OC[C@H]3CCCN3C)C2)cs1 82069665 VVQAEGUXJHOBFQ-ZIAGYGMSSA-N 365.499 2.195 0 1 FEAF O=C1O[C@@H](O)C(c2cccc(C(=O)N3CCCCC3)c2)=C1Br 84688145 OLFRYOONCZSGSZ-OAHLLOKOSA-N 366.211 2.294 0 1 FEAF COc1ccc(C(=O)O[C@H]2C[C@H]3C[C@H](OC(C)=O)[C@@H](C2)N3C)cc1OC 238734216 KKSWMTSSEOMYMM-MPTYRVRUSA-N 363.410 2.027 0 1 FEAF NC(=O)[C@H](CO)N(Cc1ccccc1)Cc1cc(-c2ccccc2)on1 95613806 ARYZLNPYGVKMCN-SFHVURJKSA-N 351.406 2.190 0 1 FEAF CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)[C@H](c2ccccc2)C1 299871925 ZMBMKZZELJBYBS-SFHVURJKSA-N 362.426 2.420 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CC(=O)N(C)C1 587869111 BNGXWIBXCWEDTM-SNVBAGLBSA-N 368.315 2.091 0 1 FEAF CN1CCN(c2ccc3nc(-c4cc(N)cc(C(=O)O)c4)[nH]c3c2)CC1 587251896 QIYGBPHQIMPCKQ-UHFFFAOYSA-N 351.410 2.262 0 1 FEAF CCOc1n[nH]c2cc(NC(=O)N[C@H]3CCN(CC(F)(F)F)C3)ncc12 1772649703 RPMFELSNKGHLTO-VIFPVBQESA-N 372.351 2.115 0 1 FEAF O=C(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1c[nH]c2cccc(F)c12 3591247 CTHYUORXLXOKGR-UHFFFAOYSA-N 369.352 2.067 0 1 FEAF O=C(c1ccccc1O)N1N=C(C(F)(F)F)C[C@]1(O)c1ccncc1 4004625 ICVXEQNTJNNWBG-HNNXBMFYSA-N 351.284 2.397 0 1 FEAF CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCO)cc1 4041282 XWHBMTPZYUICIB-DOTOQJQBSA-N 359.451 2.014 0 1 FEAF COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1[C@H]2CC3C[C@H]1CN3C2 101265230 BOZRGVLESXHQJV-BICYXFJUSA-N 363.845 2.129 0 1 FEAF COc1c(Br)cc(CO)c(OCCO)c1Br 28652106 SMSZMAXUWWTKFY-UHFFFAOYSA-N 356.010 2.084 0 1 FEAF CNc1ccc(C(C)(C)C(=O)NC2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)cn1 100075717 TUJYKUDQFPOWHV-OAPRPUCWSA-N 370.497 2.197 0 1 FEAF CCNC[C@@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1 29125955 ITLODBHLYHWFIO-CYBMUJFWSA-N 369.450 2.072 0 1 FEAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2cccnc2)n1 2356661422 AIGZESIAVXHCJQ-MANSERQUSA-N 370.497 2.075 0 1 FEAF COc1cc2c(cc1O)[C@@]1(O)Cc3ccc4c(c3[C@@H]1N(C)CC2)OCO4 36378793 BAKJDMWNQNFENT-PMACEKPBSA-N 355.390 2.102 0 1 FEAF COc1cc(C(=C(CO)CO)c2ccc3c(c2)OCO3)cc(OC)c1OC 72120146 GEDGYDWRYFHEHB-UHFFFAOYSA-N 374.389 2.228 0 1 FEAF C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H]4C[C@H](O[C@@]4(CO)[C@H]1O)[C@@H]23 197843321 UBYHEQLEEXWURW-HSJBFBDPSA-N 350.455 2.195 0 1 FEAF CC[C@@H]1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H](O)[C@@H]1C 40917965 KRERBZWVTNUEMD-XAGWURHQSA-N 352.822 2.293 0 1 FEAF CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 261175847 UVSSCCWYJBNLTH-YEORSEQZSA-N 368.434 2.396 0 1 FEAF COc1cc(Br)c([C@@H](N)c2nc3ncc[nH]c-3n2)cc1OC 586975361 NETMFROEHAVVMZ-LLVKDONJSA-N 364.203 2.132 0 1 FEAF N[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)C1COC1 587255320 DHJHJCDESWQSCZ-ZCFIWIBFSA-N 362.025 2.129 0 1 FEAF Cc1cnc(Cl)c2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 586957609 CNFDKBQJZPELIW-HNNXBMFYSA-N 366.830 2.389 0 1 FEAF COC(=O)Cn1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 587517154 IAXHDZBSWFSFNG-IBGZPJMESA-N 355.394 2.211 0 1 FEAF c1ccc(CO[C@@H]2CCCN(Cc3nc(-c4cnccn4)no3)C2)nc1 12305163 KBGPYGNAHGQBHL-OAHLLOKOSA-N 352.398 2.103 0 3 FEAF CC(C)C[C@H](C[P@](=O)(O)CNC(=O)OCc1ccccc1)C(N)=O 13651500 YFMGJHQYVKSSNX-CQSZACIVSA-N 356.359 2.288 0 1 FEAF C[C@H]1NC(=O)c2cc(-c3nccc4c(=O)n(C)c(NC(C)(C)C)nc34)[nH]c21 1857586335 FRGSBCXYFDKJNS-SECBINFHSA-N 366.425 2.338 0 1 FEAF CN(C)C(=O)n1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2ccccc21 598851 NPTVQILJLLYYBH-UHFFFAOYSA-N 364.365 2.106 0 1 FEAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4040739 NWSDAMSPURXNMO-AOIWGVFYSA-N 371.437 2.325 0 1 FEAF Cc1cncn1CCCN/C(=C\[N+](=O)[O-])Nc1ccc2c(c1)OCCO2 101285212 UXELKSLVLWFGBH-GZTJUZNOSA-N 359.386 2.130 0 1 FEAF Cc1cc2c(s1)C(C(=O)Nc1ccccn1)=C(O)N(S)S2(=O)=O 100055371 QRMUTCDEQHZAIO-UHFFFAOYSA-N 369.449 2.166 0 1 FEAF N[C@H](CO)[C@H](O)c1c[nH]c(C(=O)CC(c2ccccc2)c2ccccc2)n1 28568302 HDBLDGWHORQXJQ-XLIONFOSSA-N 365.433 2.168 0 1 FEAF O=C(C1CCOCC1)N1C[C@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356299877 PTLYGNZUPZWFRY-BBRMVZONSA-N 365.380 2.194 0 1 FEAF CC(=O)OCc1ccc(NC(=O)N2CC[C@H](CN3CCCC3=O)C2)cc1 64235726 SXMBABTVPPGJJM-MRXNPFEDSA-N 359.426 2.226 0 1 FEAF O=C1[C@H](O)N=C(c2ccccc2F)c2ccccc2N1C1CCNCC1 27755780 LAGPVKHRKYPXLI-IBGZPJMESA-N 353.397 2.080 0 1 FEAF C[C@H](O)CCC[C@H](O)CC[C@@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O 2356765942 ZMWWFDMBQLWCBL-YUAHOQAQSA-N 370.486 2.446 0 1 FEAF Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCOCC2)cc1 62224965 BWYFHSOMGYSIKJ-GOSISDBHSA-N 353.401 2.282 0 1 FEAF Cc1sc2ncnc(SCC(=O)N3CC(=O)N[C@H](C)C3)c2c1Cl 1911576955 KJSPRROMXDZTGR-SSDOTTSWSA-N 370.887 2.092 0 1 FEAF O=C(c1cnc(N2CCCC2)nc1-c1ccccc1F)N1CCOCC1 82150999 CKZCRKWOZYPFJH-UHFFFAOYSA-N 356.401 2.355 0 1 FEAF CCC[C@H]1C[C@@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40935724 PWEBRGHKELGZDJ-GXTWGEPZSA-N 352.822 2.437 0 1 FEAF O=C(c1ccccc1NCc1coc2ccccc2c1=O)N1CCNCC1 49089265 ITNQYKNSOBMVHJ-UHFFFAOYSA-N 363.417 2.451 0 1 FEAF COC(=O)[C@@H]1[C@H]2Cc3c4[nH]c5ccccc5c4cc[n+]3C[C@@H]2CC[C@H]1O 85922651 UWMTZXSCMQAECK-LAKGBWAGSA-O 351.426 2.341 0 1 FEAF CN1Cc2nnn(Cc3ccccc3)c2-c2cc(F)ccc2S1(=O)=O 96019368 WZFMIRIWUGGTMB-UHFFFAOYSA-N 358.398 2.267 0 3 FEAF CCCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 249808311 AVMYCGJNQUPEPM-WIRSXHRWSA-N 354.450 2.193 0 3 FEAF CNS(=O)(=O)c1cc(-c2nc3cc(Br)ccc3[nH]2)n(C)c1 586947335 MJAWHQWORGSHHB-UHFFFAOYSA-N 369.244 2.239 0 1 FEAF COCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 587584608 ZHNBJDWABXSQKW-MAUKXSAKSA-N 353.334 2.291 0 1 FEAF CC1=C(c2ccc3nc([C@H](N)Cc4cscn4)[nH]c3c2)NNC(=O)C1 587029589 QUHGGLVMQPSQQF-GFCCVEGCSA-N 354.439 2.017 0 1 FEAF CCOC(=O)[C@@H]1CN(CC)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517283 KJCHLQUWFNVVLI-KKSFZXQISA-N 371.433 2.311 0 1 FEAF Cc1c(-c2nc3c(O)nc(S)nc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587028931 BZYQOBAQUFMGTQ-UHFFFAOYSA-N 372.435 2.497 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)OC(=O)C2)N1 587828861 ANHFESZZEOBBPY-MLXNANBUSA-N 370.174 2.233 0 1 FEAF CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(C(N)=O)cnc2c1=O 1772601528 YHNRNTQATBRLGN-UHFFFAOYSA-N 350.422 2.277 0 1 FEAF Cc1cc(-c2nnc(CCC(=O)N(CC3CC3)C[C@H]3CCCO3)o2)no1 13595509 DYESDVUQNSYEDX-CQSZACIVSA-N 360.414 2.383 0 3 FEAF O=C1CCCc2c(OC[C@@H](O)CNCCc3ccc(O)cc3)cccc21 169330648 WBTUULHPRDNVBU-KRWDZBQOSA-N 355.434 2.483 0 1 FEAF Cc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 4919570 JWOUTTBBFSTQRZ-OAHLLOKOSA-N 359.451 2.429 0 1 FEAF O=C(O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1)c1ccc[nH]1 6091647 YFRYJFMFQOBOSY-YDRHNJASSA-N 357.454 2.035 0 1 FEAF COc1ccc2nc3n(c2c1)[C@H](CNC(=O)Cc1ccccc1)COC3 2356299309 FLANQSKZFFJTFU-OAHLLOKOSA-N 351.406 2.475 0 1 FEAF CC(=O)N1CC[C@H](c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)C1 72127795 OEVGYUXYZSTGNX-HNNXBMFYSA-N 363.425 2.324 0 1 FEAF COc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H](CC(C)(C)O)C[C@H]4[C@@H](C2)N(C)CC[C@@]314 195349815 BTDCAZOVYZIULV-IPPZSOTPSA-N 373.493 2.112 0 1 FEAF CC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(N)c2=O)cc1 25428026 PNOCOKREABVQQA-HIFRSBDPSA-N 366.421 2.284 0 1 FEAF biogenic NCCCCNC(=O)CC1c2cccc(O)c2C(=O)c2c(O)cccc21 473153970 DNVNDEAESLCQQJ-UHFFFAOYSA-N 354.406 2.019 0 1 FEAF Nc1ncc(-c2cc(C3C[C@@H]4CC[C@H](C3)N4)nc(N3CC4CC3C4)n2)cn1 653750419 MDEUODVHSNTMNQ-JBFPEKOLSA-N 363.469 2.112 0 1 FEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3nc(O)[nH]c3cc2[nH]1 587223765 FVJPIGTYDNCFMJ-SNVBAGLBSA-N 351.366 2.229 0 1 FEAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Cl)cnc3[nH]2)cc1 586931900 PEHAPHRBVXILKK-UHFFFAOYSA-N 366.830 2.441 0 1 FEAF COC(=O)[C@@]1(CC(=O)c2ccnn2C)c2ccc(F)cc2C[C@H]2CCCN21 963094994 BWXJCGDTASGFJZ-FOIQADDNSA-N 371.412 2.221 0 1 FEAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2ccccn2)(C2CCOCC2)N1 962907988 TTWQGAJRMONCEO-FXAWDEMLSA-N 356.397 2.490 0 1 FEAF O=C(CC(F)(F)F)N1CCC[C@H](c2nnn3cnc4[nH]ccc4c23)C1 1772571686 SHUVTQRKSSOWEE-VIFPVBQESA-N 352.320 2.264 0 1 FEAF C[C@@H]1CCC/C=C\[C@@H]2C[C@@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C/C(=O)O1 13099562 ZZWKZQDOSJAGGF-OYCHAALVSA-N 365.470 2.075 0 1 FEAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H]3COC(=O)[C@H]32)OCO4)c1OC 17249971 NUCFVLUQYPWOTM-KZNAEPCWSA-N 370.357 2.498 0 1 FEAF Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)n1 4967756 PHWLTLAJOSLCLJ-MRXNPFEDSA-N 368.437 2.355 0 3 FEAF Cn1c(SCC(=O)NC[C@@H]2CCCO2)nc2c3ccccc3nc-2c1O 100705213 CJEXKNAHSCXZBN-NSHDSACASA-N 372.450 2.166 0 1 FEAF CN1CCc2ccc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)cc2C1=O 103234934 WXYPDWGVOKDYRP-NTEUORMPSA-N 369.471 2.388 0 1 FEAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CN1CCCCC1 2153384 CLJLWXNNSFTCKC-GOSISDBHSA-N 355.438 2.080 0 1 FEAF biogenic CN1C(=O)[C@@](c2ccncc2)(c2cccc(-c3cccnc3F)c2)N=C1N 49067889 CMYIUDXGRYVNQW-HXUWFJFHSA-N 361.380 2.313 0 1 FEAF CCN(CC)CCOc1ccc2c(N3CCNCC3)cc(=O)oc2c1C 49942652 WEIOHZVVRWVQDS-UHFFFAOYSA-N 359.470 2.232 0 1 FEAF COC(=O)C[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCC1 40465329 BDSGORUQKJQUNZ-CYBMUJFWSA-N 351.399 2.027 0 1 FEAF CC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)nc1 223493300 PXYBNBUYQUUNSN-UHFFFAOYSA-N 374.485 2.416 0 1 FEAF COC1=C(OC)[C@@]23CCc4cc5c(cc4[C@@]2(CCN3C)CC1=O)OCO5 31819430 PUSOZTGNPFHUMX-UXHICEINSA-N 357.406 2.151 0 1 FEAF biogenic COCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 587755963 CBYKNQSMPBDWEQ-RMLUDKJBSA-N 355.211 2.407 0 1 FEAF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 586922656 YDIHHVDWEKIBIW-UHFFFAOYSA-N 358.345 2.430 0 1 FEAF COc1cc(N)c(I)cc1-c1nc2cnncc2[nH]1 587178722 JPIBACWCRDXMGO-UHFFFAOYSA-N 367.150 2.215 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2C(CC(=O)O)(CC(=O)O)N1 587829131 QRQNALRKYFVESX-SSDOTTSWSA-N 360.179 2.267 0 1 FEAF N=c1[nH]c2nc(C3CCN(c4nccnc4Cl)CC3)nc-2c(Cl)[nH]1 587085478 WBTHVBXDEVUEOW-UHFFFAOYSA-N 365.228 2.198 0 1 FEAF COC(=O)C[C@@]1(c2cc3ccccc3oc2=O)NCCc2ccc(O)cc21 963350205 AFFQLAHIEIOVIK-OAQYLSRUSA-N 365.385 2.451 0 1 FEAF N[C@@H]1CCN2c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3CCC[C@H]12 113209312 IFCSMPVIARGNPA-HZPDHXFCSA-N 371.412 2.416 0 1 FEAF O=C(N[C@@H](CO)C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 12471156 LGHIHLJLHZSCSH-HNNXBMFYSA-N 366.339 2.113 0 3 FEAF Cn1c(CO[C@@H]2CN(C(=O)C3CCOCC3)C[C@@H]2F)nc2ccccc21 2356322601 RSFRLQRFLVYNRZ-WMLDXEAASA-N 361.417 2.065 0 1 FEAF CCC[C@@H](O)CC=C[C@H](O)CCCC(=O)OCCCCCNC(C)=O 2356324525 JMFZUNRAZVOAHJ-MSOLQXFVSA-N 357.491 2.475 0 1 FEAF Cc1nc([C@@H](O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)c(C)o1 26576479 AIVXGMLGIUUFHH-KBPBESRZSA-N 362.407 2.298 0 1 FEAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CC[C@H]21)[C@H](CO)C3 85932412 FQXFNQBHZJYODR-KHIOITSTSA-N 352.471 2.034 0 1 FEAF in-man Cc1nc2ccccc2c(=O)n1CCCNC(=O)[C@@H]1CC(C)(C)NC1(C)C 40631675 VHNWHFLUIVDGSH-INIZCTEOSA-N 370.497 2.378 0 1 FEAF O=C(NCC1CC1)c1cnc(N2CCOCC2)nc1-c1ccccc1F 82217037 MLXAPTFHKMSVDJ-UHFFFAOYSA-N 356.401 2.259 0 1 FEAF CNC[C@@H]1Oc2ncc(C3=CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95701455 DEJJSLUDOQSOIG-DEYYWGMASA-N 359.470 2.088 0 1 FEAF COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]43 257799589 ZTHVHELPCLGXHF-FSRGREAVSA-N 364.445 2.101 0 3 FEAF in-vitro CCOC(=O)C(C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1)C(=O)OCC 587399476 KDOOSDFXYIDALD-LJQANCHMSA-N 363.410 2.434 0 1 FEAF O=C(NCC(=O)n1ncc2ccc(Cl)cc2c1=O)c1cccc(F)c1 587651711 OLNXBJMAFQTXCS-UHFFFAOYSA-N 359.744 2.259 0 1 FEAF c1c[nH]c2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc-2n1 586968740 CJMVBWZQUKGVQR-UHFFFAOYSA-N 354.351 2.376 0 1 FEAF COC(=O)[C@@H](C)[C@@]1(c2cnccn2)NCCc2c(OC)ccc(Cl)c21 963269914 MNKDRQYSNQJZJF-ZMZPIMSZSA-N 361.829 2.337 0 1 FEAF COC(=O)C1=C(C)NC(c2nccs2)=N[C@H]1c1cccc(C(=O)O)c1 1772638286 OAGWNSIMBFTLKX-ZDUSSCGKSA-N 357.391 2.379 0 1 FEAF C[C@@H]1C=C(C(=O)NCc2nc3ccccc3[nH]2)O[C@H](OCCCCO)C1 12487825 HBXVGYKJPKLVAU-ACJLOTCBSA-N 359.426 2.235 0 3 FEAF O=C1CC(Nc2ccccc2Nc2ccc(N3CCCCC3)nn2)=NN1 169310447 VJCJIBKNIYAJEJ-UHFFFAOYSA-N 351.414 2.456 0 1 FEAF CN1Cc2c(-c3noc(C(C)(C)O)n3)ncn2-c2cccc(Cl)c2C1=O 576702 XHMYQXZLVLGNKX-UHFFFAOYSA-N 373.800 2.389 0 1 FEAF COc1ccc([C@H]2C(C(=O)O)=C(CO)Oc3cc4c(cc32)OCO4)cc1 6411408 AHQHMSPDODQHFH-QGZVFWFLSA-N 356.330 2.279 0 1 FEAF CN(C)CC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 100108924 KPENTCGBNVYYDU-CEQLMSFQSA-N 353.441 2.321 0 1 FEAF O=C(O)Cc1ccc2c(c1)C[C@@H](CNS(=O)(=O)Cc1ccccc1)C2 27405783 DDQRBAFDRGCBCN-INIZCTEOSA-N 359.447 2.148 0 1 FEAF O=C(O)CCCC=CC[C@H]1[C@H](C=C[C@H](O)CCCCCO)[C@@H](O)C[C@H]1O 2356304669 XQXUYZDBZCLAQO-SPOLIRPYSA-N 370.486 2.015 0 1 FEAF Cn1c(=O)n(C2CCOCC2)c2c3nc(-c4cn[nH]c4)ccc3ncc21 118539091 WIDRBUSEFGYJCE-UHFFFAOYSA-N 350.382 2.025 0 1 FEAF O=C(c1cccnc1)N1C[C@@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356320008 ZOJKICTVYLTIEO-CZUORRHYSA-N 358.348 2.476 0 1 FEAF CC=C(C)[C@H](O)[C@H](C)C=C[C@H](O)[C@H](C)[C@H](O)C[C@@H]1CC(O)=CC(=O)O1 2356472646 DPLVZZAZGYXULT-LALBMBCASA-N 354.443 2.011 0 1 FEAF COc1cc2c(cc1OC)[C@]1(O)Cc3ccc4c(c3[C@@H]1N(C)CC2)OCO4 2356527677 GLILRKXQDOLYQE-LEWJYISDSA-N 369.417 2.405 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@]12O 2356645648 YJYOZSCSGANKMP-QNBBQFRGSA-N 364.438 2.387 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C 2356746481 YOQIGAVHLYFIAF-XMAKVNPVSA-N 364.438 2.243 0 1 FEAF C=C1C2=C(O[C@H](/C(C)=C/[C@@H](C)C[C@H](C)CC)[C@@H](O)[C@@H]2O)C(=O)N1OC 36375295 KMRRFXCHVAGVTO-KONIBXHYSA-N 351.443 2.297 0 1 FEAF COc1ccccc1C(=O)NC(=S)NNc1ncnc2ccccc12 84653484 ZAGQKIGMQMVHLD-UHFFFAOYSA-N 353.407 2.270 0 1 FEAF O=C(NCCCO)c1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12 84597023 WDBNOVIAFLSQQA-UHFFFAOYSA-N 368.418 2.017 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(C)=O)N(C(=O)NCCC)[C@H]2CO)cc1 95895640 FJJJXYJTECJMAE-OBRWRRPLSA-N 373.497 2.446 0 1 FEAF CCc1c(-c2ccc(N3CC[C@H](N(C)C)C3)cc2)[nH]c(=O)c(C(=O)O)c1O 142777036 BAWYGPWUNCMAPV-AWEZNQCLSA-N 371.437 2.148 0 1 FEAF O=C1CC2(CCCC2)Oc2cc(OC[C@H](O)CN3CCOCC3)ccc21 95589946 FCNKPQDTPMQTLR-OAHLLOKOSA-N 361.438 2.037 0 1 FEAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ncc[nH]c-2n1 586937941 SHBJPMYLWKMSKL-LBPRGKRZSA-N 363.468 2.077 0 1 FEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](O)C(=O)c2ccccc21 587486923 XXYCTAUWSCHNRG-RXVVDRJESA-N 366.369 2.332 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1[C@H](C(=O)O)NC[C@@H]31 586990100 VFQDKNNTFJXQBK-HYSXXQEESA-N 358.353 2.389 0 1 FEAF C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)C3CC3)cs2)CO1 1772621048 OVLVGYMJKMQIIL-KPCOEVGBSA-N 352.485 2.383 0 1 FEAF COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(OC)nc2[nH]1 1772658094 RIJSSXVSJSKJSR-UHFFFAOYSA-N 372.406 2.484 0 1 FEAF O=C(O)Cc1nn(Cc2cn3ccc(Cl)cc3n2)c(=O)c2ccccc12 13449085 AVNGSRVYRUTXJU-UHFFFAOYSA-N 368.780 2.373 0 1 FEAF C/C(=C/Cc1c(O)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1O)CO2)CO 208282290 JLXNQYUNQWGLQD-RQLGOTGGSA-N 372.373 2.349 0 1 FEAF CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1cccs1 2356298447 CVKVIGHCPLGABW-JYJNAYRXSA-N 371.572 2.079 0 1 FEAF NC(=O)[C@H](Cc1ccccc1)c1cccc(CNS(=O)(=O)CC2CC2)c1 114245891 JLMQINUOMQKYQB-LJQANCHMSA-N 372.490 2.328 0 1 FEAF Cc1cccc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)n1 114079292 CCLJREZEJQOIAB-UHFFFAOYSA-N 350.426 2.159 0 1 FEAF CC[C@@H]1CN(C)[C@H]2C[C@@H]3[C@H](N[C@@H]4CCCC[C@@H]34)C(=O)C[C@H]1[C@H]2C(=O)OC 2356608674 SJBJYGYLCQECRD-ZWGLHBBSSA-N 362.514 2.242 0 1 FEAF Cc1c(NCCO)ccc2c(=O)n(-c3cccc(Cl)c3)c(=O)n(C)c12 34950284 LSWSZRIEPXMOMP-UHFFFAOYSA-N 359.813 2.055 0 1 FEAF CO[C@@H]1Oc2cc(-c3ccc4c(c3)O[C@@H](CO)[C@@H]4CO)ccc2[C@H]1OC 238776694 XUAGYARHMDGNBA-XWPNQZOQSA-N 358.390 2.235 0 1 FEAF O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95798524 DCEANNCXJGUAAB-WOJBJXKFSA-N 363.461 2.147 0 1 FEAF O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 299877172 GUTAYNSVZHYNJE-XYJFISCASA-N 367.405 2.156 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=NN(CC(=O)O)c3ccccc31)O2 587393343 GJZJBKLUODRTPF-LJQANCHMSA-N 351.362 2.328 0 1 FEAF O=C1CCc2cc3nc(-c4cnc5ncnn5c4C(F)F)[nH]c3cc2N1 587128167 HYBASUMMPFSMAO-UHFFFAOYSA-N 355.308 2.490 0 1 FEAF Cc1c(Br)cc2nc([C@@H](N)CCCNC(N)=O)[nH]c2c1C 587260152 RMHSUNQMVOHALN-JTQLQIEISA-N 354.252 2.391 0 1 FEAF O=C1c2cc3ccoc3cc2O[C@H]2COc3cc4c(cc3[C@]12O)OCO4 15147377 HLEAVDSSZUIWQI-PKOBYXMFSA-N 352.298 2.385 0 1 FEAF endogenous,in-man O=C(Nc1ccc(Cc2n[nH]c(=O)c3c2CCCC3)cn1)c1cccnc1 169180115 NFLYHDCAOYAROF-UHFFFAOYSA-N 361.405 2.282 0 1 FEAF CCCC[C@]1(CO)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)[C@@H]1O 169289997 BYBAPAFOQSJYFM-UMTGMHRNSA-N 373.493 2.201 0 1 FEAF O=C(Nc1ccccc1)N1CC2(CCN(C(=O)c3cnccn3)CC2)C1 3955844 JNTVOCBNORXGES-UHFFFAOYSA-N 351.410 2.247 0 1 FEAF CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 102001563 ARIRVMSWRDGEGN-YITDUUBZSA-N 371.433 2.491 0 1 FEAF CN1C(=O)[C@@H]2[C@H]3O[C@@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O 101410293 QMSLDDDUADQJHZ-RDGPPVDQSA-N 363.369 2.021 0 1 FEAF CC(C)C[C@H](NC(=O)OCC1CCCCC1)C(=O)N[C@@H]1CCN(C#N)C1 28353868 OKLPVFARCIJZFH-SJORKVTESA-N 364.490 2.379 0 1 FEAF O=C(O)CCCCCCCC=CCC=CCC(=O)N[C@@H](CO)C(=O)O 2356619640 NPDOYQQYKLFRBY-HNNXBMFYSA-N 355.431 2.256 0 1 FEAF Cc1nonc1CN(C)C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O 67515049 HUODHRHODULIEZ-IBGZPJMESA-N 364.490 2.134 0 1 FEAF C[C@@H]1C[C@]23C(=O)O[C@]2(C)CCCC[C@@H]3[C@@]1(CO)CCC(=CCO)CO 2356690082 LWJPKBGAFAPXRA-NPSVCUHKSA-N 352.471 2.188 0 1 FEAF CC=C1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@H]1O 2356725260 BERYBAUEDCRDKM-JXQHGEHBSA-N 350.418 2.313 0 1 FEAF NC(=O)c1cccc(Cn2cc(C(=O)O)c(=O)c3c(F)ccc(F)c32)c1 45353506 ZLPDYEIWMDURPC-UHFFFAOYSA-N 358.300 2.125 0 1 FEAF O=S(=O)(NCc1nc2ccc(O)cc2[nH]1)c1ccc(F)c(F)c1F 587134335 NZCWPEFESBZMKK-UHFFFAOYSA-N 357.313 2.164 0 1 FEAF Cn1nc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(F)c1O 587154966 HNLMWWVHLJKIJD-UHFFFAOYSA-N 355.123 2.269 0 1 FEAF O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)C2)[C@@H]1c1ccc(F)cc1 587377535 RZQVYSDVZZUADN-AEFFLSMTSA-N 362.378 2.448 0 1 FEAF Nc1cnc([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963177514 IQKMRTWRCTZELM-GXFFZTMASA-N 372.734 2.419 0 1 FEAF C[C@@H](O)c1nccc(N2CCN(c3nccc(-c4ccccc4)n3)CC2)n1 13472169 NCIXZUYMEBFDQH-OAHLLOKOSA-N 362.437 2.314 0 1 FEAF COc1ccc(NS(=O)(=O)c2ccccc2)cc1N1CCN(C)CC1 13782735 UWMHQNBQRWMRIX-UHFFFAOYSA-N 361.467 2.248 0 1 FEAF CCOC(=O)c1cc([C@@H](C)O)cn1S(=O)(=O)c1cc(Cl)ccc1N 6403681 MSYDNZGZPOTNBF-SECBINFHSA-N 372.830 2.191 0 1 FEAF COc1cccc([C@@H]2c3cc4c(cc3O[C@H]3COC(=O)[C@@H]23)OCO4)c1OC 105517564 NUCFVLUQYPWOTM-RCCFBDPRSA-N 370.357 2.498 0 1 FEAF Cc1ccc(S(=O)(=O)N(C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 28760998 MEQMAAXBXBOHEC-UHFFFAOYSA-N 374.871 2.162 0 1 FEAF Cc1ccc(-c2ccc3c(O)oc(=O)c(C(=O)NCC(=O)O)c3c2)cc1 114871749 LBCWZFMIMLHFJY-UHFFFAOYSA-N 353.330 2.288 0 1 FEAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](OC(=O)C[C@H](C)CO)C1 2356455431 TZWLJFAUVXXQDV-KQRABZDBSA-N 366.454 2.143 0 1 FEAF c1cncc([C@@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@@H]3C2)c1 22584620 QWKFMUSZCHWAPD-MOPGFXCFSA-N 367.501 2.443 0 3 FEAF C[S@@](=O)CCCCCCNC(=O)NCCCCCC[S@@](C)=O 4061136 RGRPFEZBDDSTNV-VXKWHMMOSA-N 352.566 2.163 0 1 FEAF biogenic COc1ccc(CCNc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)cc1 82204031 GSPWOBBEQCKSJD-INIZCTEOSA-N 369.469 2.150 0 1 FEAF NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)c(F)c2F)cc1 84670328 RZLWFYRRJBCINR-UHFFFAOYSA-N 361.301 2.330 0 1 FEAF CN[C@@H](C)C(=O)Nc1ccc2c(n1)OCC(=O)N2c1ccc(Cl)cc1 142923732 QBEYSGGKZNSRMT-JTQLQIEISA-N 360.801 2.339 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)nc2O)N1 587776878 YUOXBFXKKOPKFY-QTTZVWFDSA-N 354.179 2.413 0 1 FEAF CN(Cc1nc2cc(N)c(N)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928429 AVBNISGPDYJVSJ-UHFFFAOYSA-N 365.846 2.201 0 1 FEAF COC(=O)c1ccc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c2c1OC 586926929 RHIIQNGOUDZOGP-UHFFFAOYSA-N 360.391 2.429 0 1 FEAF COc1n[nH]c2cc(NC(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)ncc12 1772634402 YWPVXWNSOUDDQL-GOEBONIOSA-N 366.425 2.186 0 1 FEAF CC1=NC(=S)N[C@@H](c2c(C)cc(C)cc2C)[C@H]1C(=O)N1CCOCC1 169691254 OFQCIWCDSOMFTB-IRXDYDNUSA-N 359.495 2.477 0 1 FEAF Cc1cc(-c2cccc(S(=O)(=O)CC(=O)[C@@H](N)CC(C)C)c2)ncn1 1857546445 RAQUUDACINXBOJ-INIZCTEOSA-N 361.467 2.168 0 1 FEAF CCCNC(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 2356289490 WKNMENDZUSXRCK-QKLQHJQFSA-N 359.470 2.199 0 1 FEAF COc1cc(C2=C(CO)[C@@H](CO)Cc3cc(OC)c(O)cc32)ccc1O 2356309216 MVYRVPVCSQDWRH-CYBMUJFWSA-N 358.390 2.074 0 1 FEAF O=C(O)COc1ccc2c(c1Cl)S(=O)(=O)N=C2c1ccccc1F 28759435 BBVAYSQTQFYBOX-UHFFFAOYSA-N 369.757 2.482 0 1 FEAF Cc1nc(C(=O)Nc2cccc([C@@]3(C(F)F)COCC(N)=N3)c2)co1 113659990 GBUZSUPNECMGRX-MRXNPFEDSA-N 350.325 2.083 0 1 FEAF C[C@@H]1CC[C@H]2[C@H]3CC(=O)[C@H](Cn4cnc5[nH]c(O)nc5c4=O)[C@@]13CC2(C)C 2356786563 AWGDSXSZEPCQQP-ZDQLNLHRSA-N 370.453 2.493 0 1 FEAF C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@H]2[C@H](O)/C=C\C(=O)O1 137065015 ZZWKZQDOSJAGGF-BVTJJHQYSA-N 365.470 2.075 0 1 FEAF CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NCC3CC3)ncnc21 82179801 WWIRSUZQTSZBOD-UHFFFAOYSA-N 366.425 2.157 0 1 FEAF CC(=O)Nc1cn2cc(-c3cnc(N)c(OCC(F)(F)F)n3)ccc2n1 145311749 ZBPVUAAHTGUPIZ-UHFFFAOYSA-N 366.303 2.273 0 1 FEAF O=C(NCc1cccs1)[C@@H]1CC[C@@H]2[C@@H](CCN2C2CCOCC2)O1 96065345 LIHUTGBBTHTURR-ZACQAIPSSA-N 350.484 2.165 0 1 FEAF C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]34C[C@@H](O[C@@H]4O)[C@@H]12 31555052 QUQBHBRVKLEOEI-YDXHJPLQSA-N 360.450 2.003 0 1 FEAF biogenic O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN1CCO[C@H]2C1 587586399 CAWZZLYZNABBGK-QKLQHJQFSA-N 353.374 2.197 0 1 FEAF NC(=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587150811 UFDPAGZWTFKZKH-LBPRGKRZSA-N 370.359 2.456 0 1 FEAF CCN(c1ccc(-c2csc(-c3c[nH]nc3N)n2)cc1)S(C)(=O)=O 587922870 HEEDRVDDTPREIY-UHFFFAOYSA-N 363.468 2.568 0 1 FEAF CCOC(=O)c1[nH]cnc1[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732220 YHERCLPTAVFBJI-VXGBXAGGSA-N 367.327 2.322 0 1 FEAF Cc1ccc(Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 169322253 HQKCWFNHKWYNRK-OAHLLOKOSA-N 363.373 2.140 0 1 FEAF C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Cc1nc2ccccc2[nH]1 1857773042 PNUIXELAIRQRIN-NSHDSACASA-N 361.398 2.181 0 1 FEAF COc1ccc([C@@H]2CC(=O)c3c(O)cc(OCC(=O)O)cc3O2)cc1O 6018543 WGFNTUUKZPGDER-HNNXBMFYSA-N 360.318 2.276 0 1 FEAF Cc1cc(=O)[nH]c(SCc2cc(=O)n3nc(-c4ccco4)sc3n2)n1 21368945 MSIQMLVKKNYEAV-UHFFFAOYSA-N 373.419 2.095 0 1 FEAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1C1=CC=CN(C(=O)OC)C1 27720651 VUCSVNWHYPMBBO-XERWBJCMSA-N 362.382 2.462 0 1 FEAF COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CC[C@@H]4c5ccccc5N[C@@H]4[C@@H]3C[C@H]21 2356464774 BTQSFZZXBMGPAG-PSSUFADISA-N 356.466 2.219 0 1 FEAF Cc1cc(C(=O)N2CCOC[C@@H](Oc3cnccn3)C2)c(C(F)(F)F)o1 2356743655 UDZWPGBAOVBNRI-NSHDSACASA-N 371.315 2.317 0 1 FEAF CCCn1c(=O)c(NCC2CC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205200 VWIIMFZXCLDXAE-INIZCTEOSA-N 354.454 2.279 0 1 FEAF CNS(=O)(=O)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587448136 HWNLRBWHFQDGHA-BEFAXECRSA-N 373.430 2.266 0 1 FEAF CC(=O)c1ccc(OCC(=O)Nn2c(C)nc3sccc3c2=O)cc1 60675486 HJXYOXWQYVZWDB-UHFFFAOYSA-N 357.391 2.118 0 1 FEAF C[C@@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CNC2=O)cc1 13642981 XFFCUJYCBFPUOA-SNVBAGLBSA-N 353.382 2.086 0 1 FEAF COc1cc(NC(=S)NCCCn2ccnc2)cc(OC)c1OC 13679615 JGXDXIDOUTYMPQ-UHFFFAOYSA-N 350.444 2.286 0 1 FEAF Cc1cnc(CNc2ccnc(-c3cccc(NS(C)(=O)=O)c3)n2)cn1 4257408 APXNNYPFLYIYRF-UHFFFAOYSA-N 370.438 2.226 0 1 FEAF Cc1nc(O)cc(CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n1 103525439 FMYQPTLJLLPSIN-UHFFFAOYSA-N 371.344 2.388 0 1 FEAF Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(O)c1)C1=C(O)c3ccccc3C1=N2 101576707 XZTHXNBJXZQROV-AWEZNQCLSA-N 373.368 2.328 0 1 FEAF CC(C)S(=O)(=O)NC[C@H]1CC(c2ccc(N3CCCC3)cc2)=NO1 103248005 HDDVTEFQKYUVJK-MRXNPFEDSA-N 351.472 2.108 0 1 FEAF COc1ncnc(Cn2cc(C(=O)NC[C@@H](C)F)c3ncccc32)c1C 103248977 GRKAGVAYTVGVBB-LLVKDONJSA-N 357.389 2.279 0 1 FEAF CC(C)C[C@@H](N)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 61898149 DNOYHTNTWQRREW-CYBMUJFWSA-N 363.487 2.440 0 3 FEAF CN1CCc2cc3c(cc2[C@]12Cc1ccc4c(c1[C@@H]2O)OCO4)OCO3 15219662 AKCAVBOVRWGORC-PMACEKPBSA-N 353.374 2.117 0 1 FEAF biogenic CC(C)(C)NC[C@@H](O)COc1ccc(Cl)cc1C1=NNC(=O)CC1 45321844 JJPCDGXEYHIHSU-GFCCVEGCSA-N 353.850 2.082 0 1 FEAF CC[C@]12CCCN3CC[C@]4(c5cccc(O)c5N(C(C)=O)[C@@H]4[C@@H](O)C1)[C@@H]32 14717515 RQFIKBUKOZJEMU-DARKYYSBSA-N 356.466 2.394 0 1 FEAF biogenic C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C 86010674 YOQIGAVHLYFIAF-LWAJKNIRSA-N 364.438 2.243 0 1 FEAF in-man Nc1ncc(-c2ccc(C3(c4noc(-c5ncn[nH]5)n4)CCC3)cc2)cn1 149789774 NVNGRFFXFVCOFR-UHFFFAOYSA-N 360.381 2.364 0 1 FEAF Nc1nc(Cl)cc(NCCNc2cc(-c3ccccc3)nc(N)n2)n1 96906126 RZTPFYFGKLIYGT-UHFFFAOYSA-N 356.821 2.275 0 1 FEAF S=C(NCc1ccco1)NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCCC1 43526987 RXUYUMJIJXCVCX-IXDOHACOSA-N 362.543 2.050 0 1 FEAF biogenic COc1nccc2nc(-c3nccnc3I)[nH]c12 587185998 CKAZCWCSQAOKMI-UHFFFAOYSA-N 353.123 2.028 0 1 FEAF CCOC(=O)CC[C@@]1(CC(=O)OCC)NCCc2c1c(C(C)C)nn2C 962915912 IGRLXVNBSDVHTL-IBGZPJMESA-N 365.474 2.181 0 1 FEAF CCc1cccc2c1[C@]1(N[C@H](C(=O)O)Cc3ccc(O)c(C)c31)C(=O)N2 963553137 ROKCXZUBAOBIFW-XOBRGWDASA-N 352.390 2.058 0 1 FEAF C[C@@H](C(=O)O)N1CCC(Nc2nc(-c3ccc(C(=N)N)cc3)cs2)CC1 13765813 GKZGZOCUWIMUGH-NSHDSACASA-N 373.482 2.444 0 1 FEAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@H]2CCNC[C@@H]12 169359800 YUXOQHWVQKFINS-MOPGFXCFSA-N 352.482 2.062 0 1 FEAF O=C(CCCCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1nccs1 4223100 ZMRRWMLGIBHURV-CUFDPUGPSA-N 359.451 2.449 0 1 FEAF CC(C)Cn1c(O)cc(=O)nc1SCC(=O)N1CCc2ccccc2C1 100615357 YAYRTBMVZUEDED-UHFFFAOYSA-N 373.478 2.282 0 3 FEAF C[C@H]1CO[C@](Cn2cncn2)(c2ccc(F)cc2F)C(C)(C)S1(=O)=O 26401340 BJRREDMDTCGLLO-MEDUHNTESA-N 371.409 2.064 0 1 FEAF COc1ccc(CNc2nc(NCCN)nc3c2ncn3C(C)C)cc1 26638837 HVFHLTZUZXRLPR-UHFFFAOYSA-N 355.446 2.399 0 1 FEAF COc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)cc1 20136822 KZNXFRHSSDBOOG-UHFFFAOYSA-N 374.374 2.036 0 1 FEAF CC(=O)N1CCC(n2cc(-c3nnc(-c4cccc(C)c4)o3)nn2)CC1 66252552 ZRIUDPXOOYAQBQ-UHFFFAOYSA-N 352.398 2.487 0 1 FEAF CC(C)(C)OC(=O)N1CC(OC[C@H](O)CN2CCc3ccccc3C2)C1 219741292 MHJKVZWCSQCFPR-QGZVFWFLSA-N 362.470 2.042 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)OC3=C[C@]12O 238788744 JEYGGYOYAPLJFZ-QJRNNREGSA-N 362.422 2.163 0 1 FEAF CCCCNS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 96271369 FEKTXEAAYPWTKE-UHFFFAOYSA-N 362.455 2.482 0 1 FEAF C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@@H]2CC[C@H](O)[C@@H]3[C@@]1(C)CC[C@H]1CCOC1 523041499 GOMXXHNZEQAZQB-QMIGJMKVSA-N 352.471 2.140 0 1 FEAF biogenic N[C@@H]1NC=Nc2c(CN3C[C@H](CSC4CCCCC4)[C@@H](O)C3)c[nH]c21 261135798 LZLVASUZAHQVLG-QIIPPGSGSA-N 363.531 2.094 0 1 FEAF Nc1cc2nc(-c3cncc(I)c3)[nH]c2cc1N 587185394 SRLIZNDOBYXSMA-UHFFFAOYSA-N 351.151 2.394 0 1 FEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 586951672 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2.424 0 1 FEAF COCCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82227959 HGHYKCKVFFZXNG-ZIAGYGMSSA-N 350.463 2.024 0 1 FEAF C[C@H](C(=O)N=c1sc2ccccc2n1C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 261083576 CCKDKMSKFQFKFL-UPJWGTAASA-N 369.446 2.007 0 3 FEAF O=C(N[C@H](Cc1nc2cc(F)cnc2[nH]1)C(=O)O)OCc1ccccc1 587203414 PJSKJIQIRGUJSB-CYBMUJFWSA-N 358.329 2.019 0 1 FEAF O=S(=O)(CC(F)F)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587368623 TVVIZXBPLBATHF-UHFFFAOYSA-N 367.333 2.142 0 1 FEAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(Cl)ncnc3[nH]2)s1 587024293 SZHTTXITXBGKJS-UHFFFAOYSA-N 367.822 2.796 0 1 FEAF COC(=O)[C@H]1CCN(Cc2ccccc2)C[C@@]12NCCc1ccc(O)cc12 963353761 SLWYFTZYBVCMRA-DENIHFKCSA-N 366.461 2.428 0 1 FEAF COc1cc(-c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)cccc1=O 11525247 NYAWYNQVAOOGQK-QGZVFWFLSA-N 368.389 2.184 0 1 FEAF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cn1)C(F)(F)F 13760246 SLMMALQKIRTOFC-CQSZACIVSA-N 374.340 2.166 0 1 FEAF NC1=C2C(=O)N(CCc3ccc(O)cc3)C(=O)C[C@@H]2c2ccccc2O1 206392013 CIYRPSZYLNZSRZ-OAHLLOKOSA-N 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C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](O)C4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 2356820812 FOLOIUYKGZEVJY-DRWKQRCESA-N 354.462 2.095 0 1 FEAF O=C(O)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O 36389423 QTXOKZWWTGQMGN-UHFFFAOYSA-N 357.387 2.362 0 3 FEAF OC[C@H]1O[C@@H](n2c(Cl)cc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 38986624 DHIQBFVYZPHZTK-OJAKKHQRSA-N 352.601 2.213 0 1 FEAF O=C(c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)N1CCN(CCO)CC1 40833730 MDYLPCCNJAOPDI-UHFFFAOYSA-N 369.252 2.134 0 1 FEAF COC(=O)c1c(C(=O)OC)c2cccnn2c1C(=O)c1ccc(F)cc1 40900054 FXEVQJMIVVUYLN-UHFFFAOYSA-N 356.309 2.278 0 1 FEAF CC[C@@H]1CN(C)[C@H]2C[C@H]3[C@H](N[C@H]4CCCC[C@H]43)C(=O)C[C@@H]1[C@H]2C(=O)OC 238761042 SJBJYGYLCQECRD-DYAWGQFCSA-N 362.514 2.242 0 1 FEAF CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)NC2CCCCC2)c1=O 25422901 XWIWFCDHNXPBSO-CABCVRRESA-N 372.469 2.268 0 1 FEAF biogenic CO[C@@H]1C[C@H]2[C@H](CC(=O)c3ccc(O)cc3)C[C@](C)(O)[C@H]2[C@@H](OC)O1 95912365 PVROCOPQOJHZLO-KUTLLIBZSA-N 350.411 2.334 0 1 FEAF biogenic,in-vitro 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82211202 ODVFIGJCBKKBTK-GFCCVEGCSA-N 370.409 2.001 0 1 FEAF CCNCc1cc(S(N)(=O)=O)cnc1Sc1ccc(F)c(F)c1 49089545 GXDPLMDIWGKEAT-UHFFFAOYSA-N 359.423 2.268 0 1 FEAF O=c1c(-c2ccnc(NC3CCOCC3)n2)cnc2sc(Cl)cn12 299849821 BCRIYZHRXQMVBN-UHFFFAOYSA-N 363.830 2.457 0 1 FEAF COc1cc2c3c(c1)O[C@](C)(c1cc(S(N)(=O)=O)ccc1C)[C@@H](C2)C3=O 587447502 APPAZOXVJZOADG-HNAYVOBHSA-N 373.430 2.314 0 1 FEAF CCOC(=O)C[C@]1(C[C@@H]2CCCO2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963021528 GICHEFVEILZHIP-GXZWQRSESA-N 372.465 2.458 0 1 FEAF CN1C(=O)C[C@@H]2CN[C@H](c3c(Br)ncn3C)c3cccc1c32 963034236 QXGVMFAXQRDMEC-OTYXRUKQSA-N 361.243 2.325 0 1 FEAF Fc1ccccc1Cc1noc(CN2CCC[C@@H](CN3CCOCC3)C2)n1 19229413 LGIZPOYPERMONI-INIZCTEOSA-N 374.460 2.344 0 3 FEAF CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1 795889 WRKUKNLKFKELCI-UHFFFAOYSA-N 368.397 2.100 0 3 FEAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCO 4152145 JWTHEEVPUCNCNS-PKOBYXMFSA-N 354.406 2.286 0 1 FEAF C[C@H](NC(=O)Cn1c(NCCO)nc2ccccc21)[C@H]1C[C@@H]2CC[C@@H]1C2 100462421 IMMAGYGNFBATCG-ZJIFWQFVSA-N 356.470 2.381 0 1 FEAF CN1C[C@H](C(=O)N(C)c2ccc(Sc3ccccc3)cc2)C(=O)C1=O 101116690 ZMFQCKGRFZAIRV-INIZCTEOSA-N 354.431 2.458 0 1 FEAF O=C(O)c1cn2c3c(c(Cl)c(N4CCOCC4)cc3c1=O)SCC2 27524420 ZNUMNGMYZFVGFF-UHFFFAOYSA-N 366.826 2.295 0 1 FEAF Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(O)cc1 29056709 VZKLDCIMFQMYKQ-UHFFFAOYSA-N 351.366 2.143 0 1 FEAF Cc1c(C)c2c(c(C)c1OC(=O)[C@@H](N)CCCCN)CC[C@](C)(CO)O2 26491116 JVSBQPZTDKNPBZ-OXJNMPFZSA-N 364.486 2.050 0 1 FEAF CO[P@](=O)(CNC(=O)OCc1ccccc1)N1CCC[C@H]1C(=O)O 29407744 VTBOQJCOXGCMGX-RKNYENMMSA-N 356.315 2.259 0 1 FEAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2ccc(N)nc2)c1F 43207336 CDDYERXWVMMNOR-UHFFFAOYSA-N 370.381 2.346 0 1 FEAF COCCCNc1ncc(C(=O)N2CCOCC2)c(-c2ccccc2F)n1 82159902 PQXYCZLJCFVGCD-UHFFFAOYSA-N 374.416 2.204 0 1 FEAF CC(C)[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(C(C)C)c2=O)N1 82206261 JQOGIQASCSZOJD-HNNXBMFYSA-N 358.442 2.359 0 1 FEAF O=C(NCCNC(=O)P(=O)(O)O)c1ccc(Oc2ccccc2)cc1 95553852 FUJJTYSHSJUEIS-UHFFFAOYSA-N 364.294 2.096 0 1 FEAF C/C=C1/CN2[C@H]3C[C@@H]1[C@](CO)(C(=O)OC)[C@@H]2C[C@@H]1C3=Nc2ccccc21 238749721 JHLJAPBBYYUJNY-XJJJDENZSA-N 352.434 2.431 0 1 FEAF C=CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccccc2OC(F)(F)F)C1 618017245 IFJRPIBCHDPPPE-JTQLQIEISA-N 364.345 2.319 0 1 FEAF O=C1N[C@H](c2ccccn2)CC[C@@H]1C(=O)N[C@H]1CCOc2ccccc21 618013201 FPRDRBFOPHGHNN-VYDXJSESSA-N 351.406 2.289 0 1 FEAF CCOC(=O)C[C@@]1(c2cnn(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430728 GNJVHNPYOGNGLM-KUHUBIRLSA-N 356.378 2.025 0 1 FEAF COc1ccc(C=O)c(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)c1OC 587794633 NKLFSQFLOLTWSW-UHFFFAOYSA-N 362.363 2.306 0 1 FEAF Oc1cc(O)nc(SCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)n1 586966264 CXRBQMFCGXSWGC-UHFFFAOYSA-N 358.358 2.381 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587230018 DSBYDUPLSBJDMX-UONOGXRCSA-N 370.453 2.484 0 1 FEAF CCCS(=O)(=O)N1CCC(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CC1 586952666 LBBWQYJBUSTCNA-UHFFFAOYSA-N 369.418 2.319 0 1 FEAF COc1cccc2c1OC[C@@H](CNCC1CCN(c3ncccn3)CC1)O2 13799853 ZWBHAGQLIGOXOP-MRXNPFEDSA-N 370.453 2.131 0 1 FEAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@@]314 169367588 ZBAQMFALLMLPSC-XYEHWOGUSA-N 369.461 2.219 0 1 FEAF O=c1[nH]c2ccc(N3CCC[C@H](O)C3)nc2nc1Cc1ccc(F)cc1 766680 LXRCZSQMEGHEMO-AWEZNQCLSA-N 354.385 2.009 0 1 FEAF NS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1 1493866 NKORVPQBJCGYEC-UHFFFAOYSA-N 366.406 2.182 0 1 FEAF in-vivo F[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H]1OCc1nc2cccnc2[nH]1 2356373374 YSJSSGBWSBICFZ-CXAGYDPISA-N 370.384 2.426 0 1 FEAF Cc1ccc(N(C(=O)[C@@H]2CCCO2)[C@@H]2C=CS(=O)(=O)C2)cc1Cl 4111022 BWJGKXSXCKFCJH-HIFRSBDPSA-N 355.843 2.471 0 3 FEAF CCC(CC)C(=O)N1CCN2[C@H](CN(Cc3ccccc3)C[C@]2(C)CO)C1 2356387143 JMSQTGKBGXBCJH-IFMALSPDSA-N 373.541 2.202 0 1 FEAF CC(=O)NCc1cccc(-c2csc(NC(=N)NCC(F)(F)F)n2)n1 29309627 ZBZBAACMAFNFLW-UHFFFAOYSA-N 372.376 2.340 0 1 FEAF COc1ccccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 116822210 ZKKLOXINBQVYPJ-HZPDHXFCSA-N 352.438 2.310 0 1 FEAF CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(O)c1OC 26398481 MRDDDUTZQYNACV-VIFPVBQESA-N 373.247 2.083 0 1 FEAF CC(C)CCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 227270788 SDUZQLOXNPPWHF-OLMMMNRUSA-N 360.479 2.192 0 1 FEAF CC(C)[C@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(C(C)C)c2=O)N1 82206809 CQGYFSKORBTGKB-CQSZACIVSA-N 356.426 2.293 0 1 FEAF CCCC[C@@H](N)[P@](=O)(O)C(=S)NCC(=O)OCc1ccccc1 49087643 JDLSUNZUSDDXBS-ZDUSSCGKSA-N 358.400 2.350 0 1 FEAF COCCCNC(=O)c1cnc(NCCOC)nc1-c1cccc(C)c1 82145453 ODCXTQWMRCLIOI-UHFFFAOYSA-N 358.442 2.277 0 1 FEAF C[C@H]1OC=C(C(=O)O)[C@H]2C[C@@H]3N(CC[C@]34Nc3ccccc3C4=O)C[C@H]21 238769459 XJBQLDFXLQMHKY-LCGRKNICSA-N 354.406 2.131 0 1 FEAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cncnc2)ccc1=O 25435720 FTFRKYNSNUPDIA-KGLIPLIRSA-N 362.389 2.158 0 1 FEAF biogenic C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 95675521 PHXITHQOKRDDQC-PIKADFDJSA-N 374.481 2.079 0 1 FEAF CN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4cccnc4F)cc32)N=C1N 95604937 DHZIIPKFSBNMSF-IBGZPJMESA-N 354.385 2.431 0 1 FEAF CC(C)CCc1cc(NCCNc2cc(Cl)nc(N)n2)nc(N)n1 96906127 UETHXGLSYDANDF-UHFFFAOYSA-N 350.858 2.197 0 1 FEAF CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@]2(C)O[C@H]2C)OC1=O 257487359 MTYSOJAHTIASFA-MJZMMJCWSA-N 364.438 2.135 0 1 FEAF endogenous,in-man Cn1ncc2cc(NCC(=O)Nc3ccc(-c4cnccn4)cn3)ccc21 473121611 QASUIEOQRDXKET-UHFFFAOYSA-N 359.393 2.476 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN[C@H](C(=O)O)[C@H]1C3 586989182 AIXNUUVDUSWVQI-SCLGINMFSA-N 372.380 2.464 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c(=O)cn2)N1 587773711 RKJYTCNAJGAZCA-VXJOIVPMSA-N 352.207 2.469 0 1 FEAF COC(=O)[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617917 REQCACWMVJOMCK-GQWAEJPESA-N 370.357 2.302 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc3c(cc21)OCCO3 587402614 ZYFIZIMOADAMRX-IBGZPJMESA-N 352.346 2.161 0 1 FEAF CO/C(=C\C(=O)O)[C@H]1c2cc3cccc(O)c3c(O)c2C(=O)C[C@]1(C)O 14712663 OBCPKCVHPDMGIX-PQKVDXGTSA-N 358.346 2.287 0 1 FEAF COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1C(=O)C1CC1 15676468 FXBULAKFDMUORT-INIZCTEOSA-N 373.840 2.421 0 1 FEAF biogenic Cc1cc(NC(=O)Cn2nnc(-c3cccnc3)n2)n(C2CCCCC2)n1 1857564686 HORUTYLJBUHTPR-UHFFFAOYSA-N 366.429 2.384 0 1 FEAF CNC[C@](O)(CCCCCCCCC[C@@H]1CC[C@@H](O)[C@H](C)N1)CC(=O)O 2356292599 HZHMEFKKPTWIAR-XFKSJGNHSA-N 372.550 2.424 0 1 FEAF Cc1[nH]c(C(=O)NC2CN(C)C2)cc1Cc1ccc(C(F)(F)F)nc1 1911582311 WMLRRIYPZWOUKJ-UHFFFAOYSA-N 352.360 2.372 0 1 FEAF c1cc2c(c(OC3CCOCC3)n1)C(c1cnn([C@H]3CCOC3)c1)=NC2 96175997 QAXBGATUCOSRDM-HNNXBMFYSA-N 354.410 2.148 0 1 FEAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(S(=O)(=O)O)cc3[nH]1)C2 587247479 SIKHUJRHTIVPLI-GOSISDBHSA-N 373.434 2.161 0 1 FEAF CNS(=O)(=O)c1ccc(CCc2nc3ccnc(Cl)c3[nH]2)cc1 586946767 PBAFKMLCOCZFFE-UHFFFAOYSA-N 350.831 2.305 0 1 FEAF CC(=O)NC1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CCC(C)CC1 587234508 ODRMZLWMAWYXFQ-UHFFFAOYSA-N 351.428 2.351 0 1 FEAF COc1ccc([C@H]2NCCc3nc4ccccn4c32)c(OCC(=O)O)c1 962992122 XUURTTUYBIGVOV-GOSISDBHSA-N 353.378 2.041 0 1 FEAF Cc1ncc(Cn2cc(COC(=O)c3ccc(Cl)cc3)nn2)c(N)n1 143696499 MSJKPMGLUBAAJP-UHFFFAOYSA-N 358.789 2.017 0 1 FEAF O=C(NCc1ccon1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12710234 IKYNTGSDCRMNNZ-AWEZNQCLSA-N 361.829 2.426 0 3 FEAF O=C1CNCCN1c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1 205242585 QHPFWCMCHADYGC-UHFFFAOYSA-N 371.404 2.018 0 1 FEAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc2cccnc2c1 33820069 PHZNTPSVAUTQJW-UHFFFAOYSA-N 373.412 2.402 0 1 FEAF CCO/C(O)=C1\C(COCCN)=NC(C)=C(C(=O)OC)[C@H]1c1ccccc1 20282537 XDYPMEAAJBBAQY-QTIQAUKSSA-N 374.437 2.453 0 1 FEAF COC(=O)[C@]1(O)C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 2356437670 BAYILHHYJWNJCS-OUJGAGHGSA-N 354.450 2.045 0 1 FEAF CC[C@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3cc(F)c(F)cc3nc2-1 26643431 CEXHYAFUVODQOF-HXUWFJFHSA-N 368.339 2.426 0 1 FEAF COc1cc2c(cc1O)OC[C@H](c1cc(O)c(OC)c(OC)c1O)[C@H]2O 211368434 KUHHMUVZOXYVFV-BMIGLBTASA-N 364.350 2.039 0 1 FEAF O=C(O)c1cn(Cc2ccc(-n3cccn3)cn2)c2c(F)cccc2c1=O 45336697 UCQFREVNTPMKQT-UHFFFAOYSA-N 364.336 2.468 0 1 FEAF CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(CCO)[C@H]1c1ccccc1 84655423 FZGSNPWVRXMVGT-IBGZPJMESA-N 366.417 2.492 0 1 FEAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccnc2)c1=O 25429866 ZQMWSMBVFNCNPA-HIFRSBDPSA-N 355.463 2.219 0 1 FEAF biogenic CC(C)CCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 250601675 SDUZQLOXNPPWHF-DRMAHVMPSA-N 360.479 2.192 0 1 FEAF COc1ccccc1N1CCN([C@H]2CC[C@H](N3C(=O)CCC3=O)CC2)CC1 261097516 FQRMBGDWYAVSBX-QAQDUYKDSA-N 371.481 2.277 0 1 FEAF COc1cc(C(=O)[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O 85861356 RWAKIPFJHIOZAN-JZKQVHKSSA-N 374.389 2.294 0 1 FEAF biogenic Cc1cc(Cl)cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 586940180 WONLKKZZXQYAKH-SECBINFHSA-N 353.835 2.298 0 1 FEAF CN(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)S(=O)(=O)c1cccnc1 586928872 NCEXHGSSOVCJGK-UHFFFAOYSA-N 371.344 2.192 0 1 FEAF OC[C@H](O)[C@@H](O)[C@@H](O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 17419565 OORRNQJYAWSLHU-UAGQMJEPSA-N 357.233 2.200 0 1 FEAF CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(=O)oc2cc(C)ccc12 1772617119 UIUMHEWEDAXIDL-MRXNPFEDSA-N 358.419 2.457 0 1 FEAF CSc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2CC(C)(C)C)c1 11661598 CMCTZPXYEXYAAU-INIZCTEOSA-N 363.527 2.261 0 3 FEAF O=C1NCN(c2ccccc2)C12CCN(Cc1ccc3c(c1)OCO3)CC2 12356205 HWOUIMXZGKRMNK-UHFFFAOYSA-N 365.433 2.344 0 1 FEAF COC(=O)[C@@]12C[C@]3(C=CCN(CCc4c1[nH]c1ccccc41)C3=O)[C@@H](C)O2 14718215 WLRVTLMRAAGZRT-OBVPDXSSSA-N 366.417 2.286 0 1 FEAF CCn1ccc(C(=O)N2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)n1 19144588 GWGDBBBGWLAQAO-UHFFFAOYSA-N 365.393 2.220 0 1 FEAF CC(C)n1nc(-c2ccc3oc(=N)[nH]c3c2)c2c(O)nc(N(C)C)nc21 1857552733 QBANGRVBRXSUJZ-UHFFFAOYSA-N 353.386 2.400 0 1 FEAF N#CN1CC[C@H](N2CCN(c3ccc(-c4ccccc4)cc3)S2(=O)=O)C1 1857599086 KUCUZQNRJSUIQF-IBGZPJMESA-N 368.462 2.276 0 1 FEAF CC1(C)CN(C(=O)NCc2ccccc2)C[C@H]2CN(CC3CC3)CCN21 2356302869 HOSKZVWJJAIBRX-LJQANCHMSA-N 356.514 2.387 0 1 FEAF Cc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 3781904 TWZOTKDYRJQDLD-UHFFFAOYSA-N 359.401 2.234 0 1 FEAF CC(C)CNC(=O)[C@]1(C)CCCN1Cc1ccc(S(C)(=O)=O)cc1 61906403 CJKWVSRPBVEOFY-SFHVURJKSA-N 352.500 2.217 0 3 FEAF CCc1ccc(Cc2ccc(C)c([C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1 35792189 KEUQDWOMTXECKU-GMISPTPDSA-N 370.489 2.327 0 1 FEAF CCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O 95895350 CXRQKXDLSRZGRM-SVFBPWRDSA-N 356.466 2.455 0 1 FEAF O[C@]1(Cc2ccc3c(c2)OCO3)COC[C@@H]1Cc1ccc2c(c1)OCO2 238782035 SGVLWHWILVKVNS-MGPUTAFESA-N 356.374 2.307 0 1 FEAF COc1cc2c3c(c1)O[C@]1(COC14CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587441256 DXVPCJXNYCDZIQ-RNODOKPDSA-N 373.405 2.201 0 1 FEAF COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)n1 587576150 MUSVBNNSCDAKBO-YOEHRIQHSA-N 365.345 2.476 0 1 FEAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(CO)cc3[nH]2)s1 587023467 BTXQWHXTSCUKEE-UHFFFAOYSA-N 361.427 2.845 0 1 FEAF COC(=O)c1ccccc1OCC(O)COc1ccccc1C(=O)OC 2178320141 KZEPMTKRPXZXPR-UHFFFAOYSA-N 360.362 2.079 0 1 FEAF O=C([C@H]1CCCN(c2ncccn2)C1)n1ncc2ccc(Cl)cc2c1=O 587653463 APOYKVOZGGEQBS-ZDUSSCGKSA-N 369.812 2.397 0 1 FEAF Nc1nccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586968874 DKDFYJZIIRSEHH-UHFFFAOYSA-N 368.378 2.611 0 1 FEAF CCOC(=O)[C@@H](NC(C)=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587514351 WPWLXKALDLSRNN-UYAOXDASSA-N 359.422 2.357 0 1 FEAF COc1n[nH]c2cc(NC(=O)N[C@H](c3ccc(F)cc3)[C@H](C)O)ncc12 1772597885 FBFVSUQHZVJYJN-VFZGTOFNSA-N 359.361 2.349 0 1 FEAF O=C(NCC1(O)CCCCC1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 11879095 XYPWBVBFZJBJLA-MRXNPFEDSA-N 362.445 2.376 0 3 FEAF COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1ccc(OC)cc1 13125860 PIKFXEOKMLGVMI-MRXNPFEDSA-N 362.382 2.073 0 3 FEAF CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N/c2cccc(CC)c2)CC1 13750429 QRWUIECHDMPYQU-QLBLWQCWSA-N 371.437 2.290 0 1 FEAF COC(=O)c1ccc(CS(=O)(=O)c2ccc3[nH]c(=N)sc3c2)cc1 1857547817 OXCYJIKKVMXIOQ-UHFFFAOYSA-N 362.432 2.469 0 1 FEAF COc1ccc(C)cc1NC(=O)c1noc2ncnc(N3CCOCC3)c12 9687926 MRGXBNPIYVJDPV-UHFFFAOYSA-N 369.381 2.024 0 1 FEAF O=C(O)c1cn(C2CC2)c2cc(N3C[C@H]4CCCN[C@H]4C3)c(F)cc2c1=O 26937068 WLIYUISORGCVCB-BZNIZROVSA-N 371.412 2.362 0 1 FEAF COC(=O)[C@@H]1C[C@@]23CCC(=O)N4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 2356623662 JPHKISFVGIVFBD-NAHVHIFSSA-N 352.434 2.457 0 1 FEAF CC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccc(F)cc3)C[C@@H]21 95893747 ACJFIJVGUPSGMQ-GBESFXJTSA-N 354.381 2.161 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=NN(CC(=O)O)c3ccccc31)O2 587393342 GJZJBKLUODRTPF-IBGZPJMESA-N 351.362 2.328 0 1 FEAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587043665 SOKWSRQMECGDOF-LBPRGKRZSA-N 369.468 2.430 0 1 FEAF CCOC(=O)C[C@]1(c2cnccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436930 VLJYKAZYHQKDKJ-YJYMSZOUSA-N 354.362 2.081 0 1 FEAF COc1nccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c12 586928736 JDCXEEQBQJOJBG-UHFFFAOYSA-N 366.830 2.441 0 1 FEAF COC(=O)C[C@H](C)Cc1nc2cc(I)cnc2[nH]1 587784228 GFCZZFHPGFJKFK-SSDOTTSWSA-N 359.167 2.304 0 1 FEAF COC(=O)C[C@H](CCc1ccc(C(N)=O)cc1)c1cccc(C(=N)N)c1 13776602 RSOOCDJHZHAFLX-INIZCTEOSA-N 353.422 2.349 0 1 FEAF C=c1[nH]n(-c2ccccc2)c(=O)/c1=C1\C=C(C)N(c2ccccc2)C(=O)O1 169727392 KLURZBCPQHRHJX-VHEBQXMUSA-N 359.385 2.245 0 1 FEAF CC1=C(O)[C@@H]2O[C@@]3(O)C(=O)C[C@H](C)[C@H]4C[C@@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C 100781992 WKNPIBKVHHVICI-JYHNZLKQSA-N 360.406 2.029 0 1 FEAF endogenous,in-man NC(=O)[C@@H](CO)N(Cc1ccccc1)Cc1cc(-c2ccccc2)on1 29555159 ARYZLNPYGVKMCN-GOSISDBHSA-N 351.406 2.190 0 1 FEAF COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 61907873 JQJYEXWIMQTYSI-QGZVFWFLSA-N 356.825 2.484 0 3 FEAF CCOC(=O)[C@@H]1[C@H](O)[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 2356612202 XETGZIYAYIKTDY-JVDHXMDQSA-N 366.461 2.067 0 1 FEAF O=C(O)c1cc(CN2CCC(c3cncnc3)CC2)c2ccccn2c1=O 66078998 LQVSAENUYZVNNO-UHFFFAOYSA-N 364.405 2.167 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)CO 82209268 JJIBTNFXXNRHAW-ULDCIAMBSA-N 366.502 2.016 0 1 FEAF C/C=C/c1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1 45495402 PPOQVTCQAPCRIP-TUMQHRCOSA-N 368.389 2.330 0 1 FEAF C[C@@H]1C[C@@H](C[C@@](C)(O)[C@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O 95913771 OXBZEUQGKLXVSR-QMLSVSTNSA-N 360.362 2.026 0 1 FEAF biogenic,in-vitro Cc1ccc(S(=O)(=O)Nn2c(S)nc3ccc(F)cc3c2=O)cc1 653783785 SDJVVVXHHQVQAS-UHFFFAOYSA-N 365.411 2.065 0 1 FEAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cnn(C)c1C)[C@@H](C2)C3=O 587432495 PKWWUTMEHMRIKL-ZEGWDFLXSA-N 353.422 2.455 0 1 FEAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc3c(cn2)OCO3)N1 963001613 ZMKYZNAPLMKKQQ-BMIGLBTASA-N 368.723 2.430 0 1 FEAF COc1nc(CO)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl 116959348 PHZNKIMBWDVYKK-UHFFFAOYSA-N 364.210 2.085 0 1 FEAF CCc1c(CNc2cc(OC)ccc2OC)cnc2nc(N)nc(N)c12 5847194 KLEMQOPCEXRTJD-UHFFFAOYSA-N 354.414 2.381 0 1 FEAF COc1cc(O)c2c(c1)OC[C@@]1(Cc3c1cc(OC)c(OC)c3O)C2=O 1857579799 JWPTZLDMDIRBAI-LJQANCHMSA-N 358.346 2.193 0 1 FEAF NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1 3792012 WSMLKVHPNNGGGB-UHFFFAOYSA-N 363.364 2.240 0 1 FEAF C[C@@H]1CCCCN1CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O 4111175 KJFVHRSELZHMJK-QGZVFWFLSA-N 368.481 2.291 0 3 FEAF COc1cccc(CN2C[C@@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)n1 2356317542 AGPPDDDNGFLSRD-UKRRQHHQSA-N 357.389 2.101 0 1 FEAF COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 101357889 VGDQBNXQAOYMPS-SDRDMKBQSA-N 354.450 2.226 0 1 FEAF CCN1CCN(C(=O)Cn2nc(C)c3sc4ccccc4c3c2=O)CC1 20466850 WTVNRPRURACHLV-UHFFFAOYSA-N 370.478 2.084 0 3 FEAF CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2nc(N)nc(N)c2c1 29464327 ZVZFTAIMGWBWSN-UHFFFAOYSA-N 363.830 2.273 0 1 FEAF COc1ccc([C@@H]2OC[C@@H]3[C@H](c4ccc(OC)c(O)c4)OC[C@]23O)cc1O 2356456570 JNNJGAAXLBQGKG-HOLAOCEGSA-N 374.389 2.305 0 1 FEAF O=C(OC[C@@H](O)CO)c1ccccc1NC1=C2C=CC(Cl)=C[C]2NC=C1 2356849044 XFSBALWUMXOIPR-ZDUSSCGKSA-N 373.816 2.204 0 1 FEAF COc1cccc(OC)c1OC(=O)[C@H](CCSC)N1CCOCC1 40620380 NUVWURSHQYMRSA-ZDUSSCGKSA-N 355.456 2.063 0 1 FEAF CC[C@H]1CCCCN1CCCNC(=O)c1c(O)n2cccc(C)c2nc1=O 84460341 NABPNJJYGXSDSV-HNNXBMFYSA-N 372.469 2.093 0 3 FEAF O=C(O)CCNC(=O)c1ncc2cc(Oc3cccnc3)ccc2c1O 146723283 PXXCPPPHJZXXGB-UHFFFAOYSA-N 353.334 2.332 0 1 FEAF C[C@]12CC[C@H]3[C@@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]1C[C@H](C1=CCOC1=O)O2 238768255 QTYVPMSAPQBXMM-SAHLWMROSA-N 350.455 2.203 0 1 FEAF C[C@@H]1CC(=O)[C@]2(CO)[C@H](CCC[C@]23CO3)[C@@]12C[C@H](c1ccoc1)OC2=O 38895197 KRDZPLIXVXKNST-BTJAMIPZSA-N 360.406 2.411 0 1 FEAF biogenic CC(C)OC(=O)[C@@H](Cn1ccnc1)NC(=O)c1nc2ccccc2s1 473082786 LHRLGGIETKGGNS-CYBMUJFWSA-N 358.423 2.243 0 1 FEAF Cc1c(-c2ccc3c(O)nc(O)nc3n2)c2ccccc2n1CC(=O)O 587556352 AJMCAKREXOQDIC-UHFFFAOYSA-N 350.334 2.451 0 1 FEAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(=N)N)cc2[nH]1)C(C)C 586933832 YNQCTMSHOCKFJL-AWEZNQCLSA-N 351.476 2.264 0 1 FEAF COc1cc(N)c(I)cc1-c1nc2ncc[nH]c-2n1 587178786 LFKYQFCRIRZJSP-UHFFFAOYSA-N 367.150 2.167 0 1 FEAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](NC)c3cccnc3)[nH]c2c1 587226799 SZYWXUMPBPWSKQ-KRWDZBQOSA-N 373.482 2.345 0 1 FEAF COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1C[C@H](C)O[C@@H](C)C1 13146724 PETTUSLHKJQRDZ-RWMBFGLXSA-N 359.426 2.391 0 1 FEAF COc1c2c(cc3c1[C@@]14CCN(C)[C@@H](CC3)C1=C[C@@H](O)[C@@H](OC)C4)OCO2 13310649 MKGYTINLRGEUBT-ATUDVECKSA-N 373.449 2.018 0 1 FEAF biogenic CCOC(=O)CCCn1c(=O)cc(Nc2ccc(C)c(CC)c2)[nH]c1=O 13674961 RNCDLWHHNPWWJZ-UHFFFAOYSA-N 359.426 2.494 0 1 FEAF CC(=O)N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C1 17257961 QEHFAHSIVHFASZ-RDBSUJKOSA-N 371.478 2.462 0 1 FEAF COc1cc(-c2cccc(C(=O)N3CCN(C)CC3)c2)cc(C=O)c1O 169699685 QYVRKJQWUQUTSG-UHFFFAOYSA-N 354.406 2.268 0 1 FEAF CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cn(C)c(=O)c3ccccc23)C1 6932038 VQUJITBUYFXRCS-CYBMUJFWSA-N 357.410 2.346 0 1 FEAF CC(C)CC(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3cnccc3[nH]2)C1 2356379517 XSKWMUNLHBYWNB-KGLIPLIRSA-N 358.442 2.486 0 1 FEAF COc1cc(N)ccc1CCC(=O)Oc1ccc2c(c1)C(=O)N(C)C2=O 53313641 LVDLHZLLBLOUIM-UHFFFAOYSA-N 354.362 2.041 0 1 FEAF N[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1C1CC1 27408990 UQIZXARYWNEIEE-CJNGLKHVSA-N 371.412 2.347 0 1 FEAF CC[C@@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@H]1O 2356781069 HQZUCSQUBHQEDH-MIWQPUQISA-N 352.434 2.393 0 1 FEAF C=CC(=O)Nc1c(C(=O)NCC)noc1-c1cc(Cl)c(O)cc1O 73224296 VIEGTSLOUDDFCN-UHFFFAOYSA-N 351.746 2.280 0 1 FEAF COc1cc2c(cc1O)[C@](O)(c1ccc3c(c1)OCO3)[C@@](C)(O)[C@@H](C)C2 14435139 VTOAYOBQUFTMNL-UUFIDDLGSA-N 358.390 2.309 0 1 FEAF biogenic O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1ccc2ncccc2c1 195406004 WYGMMUBQAMBGGY-QZCPTFHJSA-N 361.401 2.371 0 1 FEAF COc1cc([C@@H]2Oc3cc(/C=C\CO)ccc3O[C@H]2C(=O)O)ccc1O 238789629 IWZNJWBNFYXWGT-CJBXHNHZSA-N 358.346 2.372 0 1 FEAF biogenic CC(C)[C@]1(O)/C=C/[C@](C)(O)C/C=C/[C@@](C)(O)C[C@@H]2C=C(CC1)C(=O)O2 96086061 PZFBVODTZGEVTO-MCERNNHQSA-N 350.455 2.414 0 1 FEAF in-vitro CCC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O 95895355 CXRQKXDLSRZGRM-SBHAEUEKSA-N 356.466 2.455 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(OC)cc(OC)c41)[C@@H](C2)C3=O 587438167 CTNIARODHGXNQX-FKIZINRSSA-N 367.357 2.307 0 1 FEAF CN[C@@H](c1cccnc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587222391 KKPXKOQPIFAQDS-AWEZNQCLSA-N 361.409 2.326 0 1 FEAF N[C@@H](N=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 957916665 VNVAOZRGKLJVTJ-CABCVRRESA-N 367.814 2.348 0 1 FEAF COC(=O)N1CC=C(c2ccc(C3=NO[C@H](CNC(C)=O)C3)cc2)CC1 580417 HQVQWQSXPXHAJX-KRWDZBQOSA-N 357.410 2.171 0 1 FEAF COc1c(N2CC[C@@H]([C@H](C)N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 3941690 QZNDHGLQSLWHRB-NWDGAFQWSA-N 371.437 2.217 0 1 FEAF Fc1cccc(CN2CCN(c3nc4nonc4nc3NC3CC3)CC2)c1 59379720 XWTKOXUMHHNQMC-UHFFFAOYSA-N 369.404 2.048 0 3 FEAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@@H](NCC2CC2)C[C@H]1O 2356288697 JGLRXEWNKTVFPW-QGZVKYPTSA-N 371.456 2.183 0 1 FEAF COc1cc(OC)c2c(c1)[C@@]13C[C@H]4[C@H](COC1=N2)[C@H]1C[C@H]3N4CC1=CCO 2356418432 JHEWUOHZDCTKBI-BXAAJAGZSA-N 368.433 2.027 0 1 FEAF Cc1cc(C)c2c(C)c(C(=O)NCC(C)(C)NS(C)(=O)=O)sc2n1 68188649 DHTGUDGFNGYUDG-UHFFFAOYSA-N 369.512 2.279 0 1 FEAF COc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)NC3CC3)ncn1-2 210854251 MJVUKHJLPCJCLX-HNNXBMFYSA-N 352.394 2.064 0 1 FEAF CCCCNC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 199207886 ZGYHZVOFRKAVPA-IBGZPJMESA-N 353.422 2.460 0 3 FEAF O=C(NCCCNC(=O)c1ccccc1)C(=O)c1c[nH]c2cccc(F)c12 45256717 NNTXMRUGHFHRQX-UHFFFAOYSA-N 367.380 2.426 0 1 FEAF NC(=O)Nc1sc(-c2ccc(O)cc2)cc1C(=O)N[C@H]1CCCNC1 40862682 DMJCWMNMPJOWMW-NSHDSACASA-N 360.439 2.093 0 1 FEAF COc1ccc(CN2CN3Cc4cc(OC)ccc4[C@@H]3CS2(=O)=O)cc1 96020156 KQLUCFSNYVATTK-IBGZPJMESA-N 374.462 2.364 0 3 FEAF C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@]23C(=O)C[C@H]1[C@H]4C(=O)OC 238760247 OVWZWXBYBKIZDC-NFLCVTDISA-N 352.434 2.114 0 1 FEAF CCOc1n[nH]c(-c2nc3c(C(=O)OC)ccnc3[nH]2)c1Br 586980188 QGGJBDFEVRXBGP-UHFFFAOYSA-N 366.175 2.296 0 1 FEAF Oc1ccc(C2(c3nc4ccc(-n5cnnn5)cc4[nH]3)CCOCC2)cc1 586914210 WRQGOGASWYFXRP-UHFFFAOYSA-N 362.393 2.341 0 1 FEAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 586931658 IEKKVKACVYACTL-UHFFFAOYSA-N 371.422 2.269 0 1 FEAF O=C(O)CCC1=COc2cc(F)ccc2[C@]12N[C@H]1Cc3c2ccnc3C1=O 963290060 SOBMPALOMONHLL-YWZLYKJASA-N 366.348 2.316 0 1 FEAF COCCO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5 1772651924 CCFZKAPEUYIPRY-PVHGPHFFSA-N 357.450 2.172 0 1 FEAF COc1cc(OC)cc(N(C)Cc2cnc3nc(N)nc(N)c3c2C)c1 13216445 RDQGYDXYMFVTRP-UHFFFAOYSA-N 354.414 2.151 0 1 FEAF O[C@H]1c2ccc(F)cc2C[C@H]1N1CCN(c2cccc3c2OCCO3)CC1 13471780 HVYKQLWDJZYOQY-QUCCMNQESA-N 370.424 2.377 0 1 FEAF COc1c(O)ccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3 13742492 QOEVQPWLYUDAHW-DUXKGJEZSA-N 357.450 2.163 0 1 FEAF O[C@H]1[C@H](n2cc(Cl)cn2)[C@H]2OC[C@@H](O2)[C@@H]1NCc1ccccc1Cl 2356320722 GZIXWZGEJDJDIK-CWVYHPPDSA-N 370.236 2.005 0 1 FEAF CCCCN(C=O)c1c(CC)nc2ccc(C(=O)N3CCN(C)CC3)cn12 61907169 GZAZIPHKGFITSF-UHFFFAOYSA-N 371.485 2.047 0 3 FEAF C[C@H](O)CCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 2356504273 JRNZEGAFLBTZDT-UIFYRBHJSA-N 372.502 2.238 0 1 FEAF Cn1c(=O)c(C2=C[C@@H](c3cccs3)NNC(=O)N2)c(O)c2ccccc21 3846493 WAHMMOGEUUVRJD-NSHDSACASA-N 368.418 2.205 0 1 FEAF biogenic COC(=O)[C@@]12C[C@@]3(C=CCN(CCc4c1[nH]c1ccccc41)C3=O)[C@@H](C)O2 14718212 WLRVTLMRAAGZRT-HBUDHLSFSA-N 366.417 2.286 0 1 FEAF biogenic N[C@H](CNc1nccc(-c2ccncc2)n1)[C@@H](O)c1c[nH]c2ccccc12 45351488 RZLJWZSSEDKFDQ-APWZRJJASA-N 360.421 2.493 0 1 FEAF CC(C)n1cnc2c(NCc3ccc(O)cc3)nc(N3CCNCC3)nc21 95603575 ITJWFMCRZKMTFA-UHFFFAOYSA-N 367.457 2.135 0 1 FEAF O[C@@H](CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C1COC1 261116127 IULDUAYIONNAHE-HNNXBMFYSA-N 353.344 2.259 0 1 FEAF CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCO3)(C(O)O)CC2=O 587494420 YKLJURVMHXNLCU-FQEVSTJZSA-N 372.373 2.245 0 1 FEAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(O)ncnc3[nH]2)cc1 587040336 NEYCQMWOYPQCNN-GFCCVEGCSA-N 371.422 2.345 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](C2)C3=O 587450276 SLADZTSYTOACGF-HNAYVOBHSA-N 373.430 2.434 0 1 FEAF CC1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 3779884 DUNZFXZSFJLIKR-UHFFFAOYSA-N 365.792 2.365 0 1 FEAF CCCCN1C(=O)NC(=O)/C(=C(O)\C=C\c2ccc3c(c2)OCO3)C1=O 101492394 KQDDWXNOHKMGJJ-QXRPCXSHSA-N 358.350 2.119 0 3 FEAF CCOc1cc(CNC(=O)CC)ccc1OC[C@H](O)[C@H](C)NC(C)C 28767943 LTGTZHSCRXGWKD-HOCLYGCPSA-N 352.475 2.238 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)O[C@]3(O)C[C@@H]12 2356400729 IJGXECQJMLLVLT-AUBCGOTMSA-N 364.438 2.243 0 1 FEAF O=Cc1c2n(c(=O)c3c4c(ccc13)OCO4)CCc1cc3c(cc1-2)OCO3 211369188 ITEHFHHSBGHMLZ-UHFFFAOYSA-N 363.325 2.495 0 1 FEAF NC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3F)c2c1N 73240606 OFKFQQHRYMZQCK-UHFFFAOYSA-N 359.386 2.458 0 1 FEAF CC(=O)N1C=C([C@@H]2[C@@H]3C[C@@H](CN4CC[C@H](O)C[C@@H]34)[C@H]3CCCCN23)CCC1 238777320 KXTMZZFZSKVPPU-QANWUKQVSA-N 373.541 2.211 0 1 FEAF COc1c2c3c(c(OC)c1OC)-c1ccccc1[C@H]1C(=O)C(=O)N(CC2)[C@H]31 238787161 OMCGRFPKCCDQBN-HZPDHXFCSA-N 365.385 2.485 0 1 FEAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(N(C)CC(=O)O)nc1)CC2=O 587469771 PIDOMNKTQJAGBQ-MRXNPFEDSA-N 371.393 2.362 0 1 FEAF NC[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337977 QDHWAPFPULCRSN-MJGOQNOKSA-N 359.353 2.453 0 1 FEAF CCCc1c(O)ccc2c1O[C@H](c1cnc(NCC(=O)O)nc1)CC2=O 587470803 OOXGOUXTMANKCP-HNNXBMFYSA-N 357.366 2.338 0 1 FEAF NS(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586913647 OMSYZTZTZYQQHC-UHFFFAOYSA-N 373.434 2.012 0 1 FEAF Nc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cn1 586953356 MRWWFPBQTBHZJX-UHFFFAOYSA-N 372.435 2.464 0 1 FEAF CN1CCN(c2nc(N)nc(Cc3ccc(Cl)c(Cl)c3)n2)CC1 1772619870 KKTKUBOTCWEJGC-UHFFFAOYSA-N 353.257 2.103 0 1 FEAF Cc1cccc(N(C)C(=O)CCS(=O)(=O)c2cccc3nonc23)c1 3665162 VAOJPKHJZVYYOM-UHFFFAOYSA-N 359.407 2.358 0 3 FEAF CCCn1c(O)cc(=O)nc1SCC(=O)N1CCc2ccccc2C1 100615353 AUJXPCBATNSNMV-UHFFFAOYSA-N 359.451 2.036 0 3 FEAF O=C1CC[C@@H](N2Cc3c(OCc4ccccc4)cccc3C2=O)C(=O)N1 140802951 MOGHNNIVWVOLSV-MRXNPFEDSA-N 350.374 2.027 0 1 FEAF O=C(O)c1ccccc1CN1CC[C@@]2(Cc3ccccc3CNC2=O)C1 71994121 HKJSQESKAGBANV-OAQYLSRUSA-N 350.418 2.449 0 1 FEAF Cc1c([C@@H]2NS(=O)(=O)c3ccccc32)c2ccccc2n1CC(=O)O 49055231 ZXPMFGVQZOZWQX-GOSISDBHSA-N 356.403 2.416 0 1 FEAF C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCCCN(C)C 82083911 XNOXFKRMPPGPMB-GFCCVEGCSA-N 365.455 2.406 0 1 FEAF O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc([C@@H](O)C5CC5)nc4)ccc3N12 95582455 YWILQAYCYZIDHW-WDSOQIARSA-N 368.389 2.271 0 1 FEAF COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 95566205 CQDKZYPQPMHYAR-ZDUSSCGKSA-N 361.394 2.218 0 1 FEAF CC1(C)N=C(N)N=C(N)N1c1ccc(CNC(=O)Nc2ccccc2)cc1 96914699 SPUVFUIJJGPVMC-UHFFFAOYSA-N 365.441 2.194 0 1 FEAF O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@H]1C(=O)O 587971004 QIQUJBAAZKHUIB-WHUPJOBBSA-N 365.214 2.111 0 1 FEAF Oc1nc(O)c2cc3c(nc2n1)-c1sc(Br)nc1CC3 587563973 MKUHNABNSIUDEZ-UHFFFAOYSA-N 351.185 2.421 0 1 FEAF COC(=O)c1cc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2cn1 587247707 XOIYOCPVZJOIOD-LJQANCHMSA-N 352.394 2.096 0 1 FEAF CCS(=O)(=O)NCCCc1nc2ccc(Br)c(F)c2[nH]1 586941797 BRGGPTRRIMSGDI-UHFFFAOYSA-N 364.240 2.336 0 1 FEAF Cn1ncc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)n1 963180079 GBOPWDZLUDYZNA-FZMZJTMJSA-N 374.750 2.350 0 1 FEAF C[C@H]1COc2c(N3CC[C@@H](C(C)(C)N)C3)ccc3c(=O)c(C(=O)O)cn1c23 13535550 SZDPLBCRGFLYCF-NWDGAFQWSA-N 371.437 2.217 0 1 FEAF COc1cc(Cc2nc3c(N)ncnc3n2CC2CC2)cc(OC)c1OC 13839087 YDPNVIQCMOYXBB-UHFFFAOYSA-N 369.425 2.435 0 1 FEAF C[C@@H](CO)CCc1c(O)cc(O)c2c1OC[C@@H](c1ccc(O)cc1O)C2=O 14762890 AHXHRRAHHBWGJJ-YGRLFVJLSA-N 374.389 2.429 0 1 FEAF endogenous,in-man O=C(NCc1ccc(F)cc1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O 205681166 VYZBTXNQZFXJHH-UHFFFAOYSA-N 357.316 2.351 0 1 FEAF COc1ccc(-c2nc(S(C)(=O)=O)n[nH]2)cc1OCc1ccccc1 1857750754 WIZNBJKSAJEGAI-UHFFFAOYSA-N 359.407 2.463 0 1 FEAF C[C@@H]1C[C@@H]2C(=O)C(C)(C)[C@H](O)CC[C@]2(O)[C@@]1(C)CCC1=CC(=O)OC1 2356332980 LEZWSCIWQQGIDL-OANPFLNESA-N 350.455 2.393 0 1 FEAF O=C(O)c1ccccc1NC1=NS(=O)(=O)c2cc(Cl)cc(O)c2N1 28822738 HBQXDEUGYBDOOW-UHFFFAOYSA-N 367.770 2.326 0 1 FEAF Cc1cccc2c1nc1n2[C@H](CNS(=O)(=O)c2ccccc2)COC1 2356732860 BKXNALPIVZYMPX-CQSZACIVSA-N 357.435 2.395 0 1 FEAF CC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1 64553531 YIFIPJKYDULCSS-UHFFFAOYSA-N 365.424 2.235 0 1 FEAF CCc1cccc(OCCNCCCCN2C(=O)[C@@H]3CCCN3C2=O)c1 35950284 YBUYXQMPODPDDW-SFHVURJKSA-N 359.470 2.424 0 1 FEAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccccc3N)nc12 95589132 FDZXVNSHJMLQEK-UHFFFAOYSA-N 372.406 2.146 0 1 FEAF C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@H]23)[C@@]12CC[C@@]1(COC(=O)C1)O2 238766187 IKNNBDGBGVLCJD-SCCHUKBZSA-N 362.422 2.178 0 1 FEAF COc1ccc(-c2nn(CCCN3CCOCC3)c(=S)[nH]2)cc1OC 96934119 VAGNXBYDIZQESE-UHFFFAOYSA-N 364.471 2.347 0 1 FEAF COC(=O)c1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1OC 587250820 ZOUHBMXFNWFOGJ-UHFFFAOYSA-N 355.350 2.229 0 1 FEAF CCC(=O)C[C@]1(c2cccnc2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963521020 AKKUEKUOEKROBC-OXJNMPFZSA-N 354.406 2.307 0 1 FEAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 2493017 TYKANTMROQEWMF-ROHREGIGSA-N 366.502 2.159 0 1 FEAF O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)N1CCCCC1 4790552 KTQNFLBRTVEXTN-UHFFFAOYSA-N 369.446 2.296 0 1 FEAF C[C@H]1CC[C@@H]2C(=O)NC[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 8585520 CBJAXLVQLSPOSC-HPEDKQMDSA-N 353.260 2.081 0 1 FEAF COc1ccc([C@@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@H]2O)cc1 28468652 KECQJHWYDSLEDP-WMZOPIPTSA-N 358.394 2.131 0 1 FEAF COc1ccc(C(=O)c2cnn3c2n[n+]([O-])c2ccc(Cl)cc23)cc1 29058849 DMXBJOBJUFQJRH-UHFFFAOYSA-N 354.753 2.409 0 1 FEAF CCCCC(=O)NCCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26567337 XUXRZCPRNOVDFX-CQSZACIVSA-N 350.440 2.266 0 1 FEAF Cn1ccnc1CN1CC[C@](C)(O)[C@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 2356605050 QCNWFZFUUPDGMP-ZVDOUQERSA-N 368.481 2.013 0 1 FEAF COC(=O)[C@H]1CC2=C(CN1Cc1ccc(OC(F)(F)F)cc1)N(C)[CH]N2 2356871694 LJYXVMZFZUSTBI-CQSZACIVSA-N 370.351 2.198 0 1 FEAF CCN(CCCN)Cc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O 49034950 RUGBLIPFOVKMEL-UHFFFAOYSA-N 370.501 2.108 0 1 FEAF COc1cccc(Nc2c(C(N)=O)cnc3ccc(S(C)(=O)=O)cc23)c1 40395679 SEAXCOHUTXPNQE-UHFFFAOYSA-N 371.418 2.489 0 1 FEAF in-vitro CC(C)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cc2ncn(C)c(=O)c12 144801950 UALZSYDQYNHTAP-UHFFFAOYSA-N 372.450 2.219 0 1 FEAF O=C1NC(=O)[C@@H](Cc2ccc(OCCNc3ncccc3O)cc2)S1 95618710 GWVBGLUFILBNNY-CQSZACIVSA-N 359.407 2.172 0 1 FEAF world CC(=O)N=c1cccc2n(C)c(-c3ccc(OC(=O)N(C)C)cc3)cn12 377819985 BJELFHYWVLRPQI-UHFFFAOYSA-N 352.394 2.452 0 1 FEAF Cc1ccc(-n2c(=O)n(C)c3ccc(C(=O)c4cnn(C)c4O)cc32)cc1 299864621 MRDMDJGKKAMPPO-UHFFFAOYSA-N 362.389 2.308 0 1 FEAF CCS(=O)(=O)NCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586944632 XBIBZWVJLYQSCL-UHFFFAOYSA-N 373.482 2.266 0 1 FEAF COc1cc(OC)c2nnc3c(c(-c4cccc(C(N)=O)c4)nn3C)c2c1 146537823 MKSBVDYUKXDGHY-UHFFFAOYSA-N 363.377 2.300 0 1 FEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587256955 WYRXIKKEUICWGO-MRVPVSSYSA-N 355.341 2.486 0 1 FEAF CC(C)CC(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 201464877 NRUAXQGWMAZNJS-INIZCTEOSA-N 360.454 2.227 0 3 FEAF C/C(=C/Cc1c(O)cc(O)c2c1OC[C@@H](c1ccc(O)cc1O)C2=O)CO 209829351 VNIOZYSNZVSDPU-LKTKPYKVSA-N 372.373 2.349 0 1 FEAF CC(NN)=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 1857749434 ZJYZUNVXEBZSSR-UHFFFAOYSA-N 352.419 2.089 0 1 FEAF C[C@H]1CCCCN1CCCNC(=O)CN1N=C(c2ccccc2)CCC1=O 4688139 HWDOXQQTTBWBKG-KRWDZBQOSA-N 370.497 2.394 0 1 FEAF C[n+]1cccc(C(=O)NCCc2ccc(I)cc2)c1 6068514 BAQMLIOILCKAGI-UHFFFAOYSA-O 367.210 2.088 0 1 FEAF Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N)c2sccc23)c1 20516436 ISFANHDDAVDSEB-UHFFFAOYSA-N 359.436 2.371 0 1 FEAF CC1=C2[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O 100784030 MTYSOJAHTIASFA-OQNGOPMMSA-N 364.438 2.135 0 1 FEAF endogenous,in-man CNC[C@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1ccccc1 114344266 UVOCNINDPZNPIC-INIZCTEOSA-N 351.410 2.110 0 1 FEAF CC(=O)O[C@H](C)CCC[C@@H]1OC(=O)[C@H](C)[C@H](OC(C)=O)C=CCC[C@@H]1O 2356496753 ZIOYEJIHNQOIKS-GPYXMWEOSA-N 370.442 2.299 0 1 FEAF CCCNC(=O)[C@@]1(C)CCCN(CC(=O)c2ccc3c(c2)OCCO3)C1 61904099 ZYESTJWTUDAGTC-FQEVSTJZSA-N 360.454 2.269 0 3 FEAF CN(C)[C]1C=CC(c2noc([C@H]3CCCN3Cc3ccc(CO)o3)n2)=CN1 2356858669 HPZZFUCJUWWGKV-MRXNPFEDSA-N 370.433 2.043 0 1 FEAF O=C1OCC2=C1[C@@H](c1cccc(OCCO)c1)c1cc3c(cc1N2)OCO3 40897815 IAFRIFFPKFPAGS-SFHVURJKSA-N 367.357 2.155 0 1 FEAF O=C(NCc1ccccc1)Nc1ccc(Cn2cc3c(=O)[nH]cnc3n2)cc1 40914670 NOIUADKJVSEBBY-UHFFFAOYSA-N 374.404 2.490 0 1 FEAF CCC(CC)C(=O)N1CC[C@H]2NC(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 25410325 GENZJBBHJFFIMV-HZPDHXFCSA-N 359.426 2.157 0 1 FEAF biogenic COc1ccccc1-c1csc(NC(=O)C[C@@H]2SC(=O)NC2=O)n1 96916374 LJUNXWUKOZVSOQ-NSHDSACASA-N 363.420 2.499 0 1 FEAF NC[C@]1(c2nc[nH]c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348378 RLCYIXPJSQIOFO-BEFAXECRSA-N 368.368 2.050 0 1 FEAF Cc1cc2c(cc1O)[C@@](C)(CCC1C(=O)CCCC1=O)N[C@H](C(=O)O)C2 963528539 UCOKHGOJJKMBFK-MGPUTAFESA-N 359.422 2.233 0 1 FEAF CC1([C@@H]2CC(=O)N(CCOc3ccc(F)cc3)C2)CCS(=O)(=O)CC1 1772616359 RGEYJRHMGGUDMY-CQSZACIVSA-N 369.458 2.268 0 1 FEAF CC[C@@]1(O)C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@H]24 169174451 CPNXQIOMUYAVKQ-ODHPHVRJSA-N 354.450 2.416 0 1 FEAF CCCCNC(=S)NS(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1 169336421 PZSBRTSLFJCZNX-UHFFFAOYSA-N 366.512 2.442 0 1 FEAF Cc1ccc(N2CCN(C(=O)C(=O)c3ccc4c(c3)OCO4)CC2)cc1 169341364 YOBDZNJYBRYGAN-UHFFFAOYSA-N 352.390 2.255 0 3 FEAF C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 169356255 TWZWSOLYILKIIM-PJSUUKDQSA-N 371.437 2.006 0 1 FEAF COC(=O)CSCCCc1ccccc1OC[C@@H](O)CNC(C)C 1857559561 UHPANSXIOGWEQL-INIZCTEOSA-N 355.500 2.263 0 1 FEAF O=C1C=CC[C@H](C=CC[C@@H]2C[C@H](O)[C@@H](O)[C@@H](C=Cc3ccccc3)O2)O1 2356389135 ITOWMYXEGADZIR-NJYSJTHYSA-N 356.418 2.397 0 1 FEAF CS(=O)(=O)c1ccc(CNC[C@@H]2COCc3nc4ccccc4n32)cc1 2356428385 JWYHWZJSILDRJK-OAHLLOKOSA-N 371.462 2.301 0 1 FEAF C[C@]1(O)[C@H](O)CC[C@]2(O)CC(=C3C[C@H](c4ccoc4)OC3=O)CC[C@]21C 2356432273 VZNUIGFGDXIJDN-CJGGRQNCSA-N 362.422 2.391 0 1 FEAF O=C1C[C@@H]2[C@H](C[C@H](O)[C@@H]2C=C[C@@H](O)COc2cccc(C(F)(F)F)c2)O1 2356380263 XYSPYIAAWRUEML-VMMWWAARSA-N 372.339 2.314 0 1 FEAF NC[C@H]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1 113650370 GYLLCLJHQCHMSV-GFCCVEGCSA-N 370.844 2.420 0 1 FEAF COC(=O)CC[C@H](CC(=O)OC)c1cnc(NC(=O)c2ccccc2)[nH]1 2356792414 JRPAOILMFDBXRD-CYBMUJFWSA-N 359.382 2.262 0 1 FEAF COCCNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12 115625615 DUWJEIYPYAKQQB-UHFFFAOYSA-N 370.409 2.071 0 1 FEAF COc1cc([C@@H]2Oc3ccc4ccc(=O)oc4c3O[C@@H]2CO)ccc1O 13400366 SPQBUENVXULSQS-WBVHZDCISA-N 356.330 2.381 0 1 FEAF biogenic Cn1c(O)c(C2=NN=C(O)/C2=N\Nc2ccccc2)c(=O)c2ccccc21 13409414 AXQKXZOQEXLADZ-UHFFFAOYSA-N 361.361 2.386 0 1 FEAF biogenic COc1cc2c(cc1OS(N)(=O)=O)C[C@H](C)N(Cc1ccccc1)C2 84671486 QRHZDVCPMPPVFP-ZDUSSCGKSA-N 362.451 2.224 0 1 FEAF COc1cc2c(cc1OC)[C@@H]1[C@H](O[C@@H]2OC)[C@@H](OC)C=C2CCN(C)[C@H]21 238756955 IFQRJDGCHMHOMX-OMZCGLGVSA-N 361.438 2.490 0 1 FEAF CC(=S)NC[C@H]1CN(c2ccc(-c3nc(C)no3)c(F)c2)C(=O)O1 96928827 WJMUXBODIOAGNW-NSHDSACASA-N 350.375 2.446 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@]3(O)OC(=O)C(C)=C3[C@@H]3OC[C@@H]1[C@]23C 238783290 WLEGVCDLXXAIOU-HELTWCIASA-N 362.422 2.261 0 1 FEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)cc(F)c2[nH]1 586958878 MJAAMXZPPDLDGT-HNNXBMFYSA-N 353.350 2.310 0 1 FEAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccnc(N)c4[nH]3)cc12 587037995 OQBOMALRCIQSMY-MRVPVSSYSA-N 355.427 2.288 0 1 FEAF Cc1c(Br)ccc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc12 586929760 IZMQLLCCGOPKRP-UHFFFAOYSA-N 355.217 2.276 0 1 FEAF CCOC(=O)c1cc(Br)c2[nH]c(CC(=O)N(C)C)nc2c1 587197209 LWZVMUUBLCCUOF-UHFFFAOYSA-N 354.204 2.133 0 1 FEAF CCOC(=O)[C@H](Cc1ccc(F)cc1)c1ccc2c(O)nc(O)nc2n1 587370407 WGABHORRGQDVNH-CYBMUJFWSA-N 357.341 2.465 0 1 FEAF O=S1(=O)[C@H](F)CCN1C[C@H](O)Cn1c2ccccc2c2ccccc21 148485757 RVQVMQYSHGPVLW-UGSOOPFHSA-N 362.426 2.487 0 1 FEAF CC(C)(C)NC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1ccccn1 169340860 SXYRIBZATNBERJ-GOSISDBHSA-N 353.422 2.459 0 3 FEAF Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(O)cc3)C(=O)C[C@@H]12 206390862 ONHYONNCZLFXGH-MRXNPFEDSA-N 364.401 2.349 0 3 FEAF CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758472 MDXJQYZJGAXSQA-ZFWWWQNUSA-N 361.442 2.208 0 1 FEAF COc1ccc(S(=O)(=O)Oc2cc(OC)c(OC)c(OC)c2)cc1N 1550216 ZSVLWJYTWYQJQF-UHFFFAOYSA-N 369.395 2.071 0 1 FEAF CCCCN(C)CCNC(=O)CCn1nc(-c2ccc(C)cc2)ccc1=O 2941333 PWZVNMAUMLFDIM-UHFFFAOYSA-N 370.497 2.457 0 3 FEAF COc1ccc(Br)c(CS(=O)(=O)c2cccc[n+]2[O-])c1 3587020 FDEFQFLCPCGXFD-UHFFFAOYSA-N 358.213 2.065 0 1 FEAF COC(=O)c1ccc2c(c1)C(NCCCN)=C1C(=N[C@@H]3C=CC=C[C@@H]13)N2C 103164678 AHFQPZUEVZSQGJ-GDBMZVCRSA-N 364.449 2.095 0 1 FEAF O=C(NC(=O)c1ccccc1)NC1CCN(C[C@H](O)c2ccccc2)CC1 27985788 FDSUVJNQVSOIRG-IBGZPJMESA-N 367.449 2.324 0 1 FEAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCN 64624442 ZJVJBYFEMNIAJZ-ZROIWOOFSA-N 356.401 2.342 0 1 FEAF in-vitro COc1ccc(N2C(=O)[C@@H]3C[C@H](NC(=O)C4CCCC4)CCN3C2=O)cc1 25197506 MWELBUMJDKWCQE-PBHICJAKSA-N 371.437 2.301 0 1 FEAF biogenic COc1cc([C@@H](CC(=O)O)[C@H]2N(C)C(C)=C(C)N2O)cc(OC)c1O 2356824460 GUXQJCWOBZLHLC-PXAZEXFGSA-N 352.387 2.182 0 1 FEAF CS(=O)(=O)N1Cc2ccccc2C[C@]2(CCN(Cc3ccccn3)C2)C1 71991868 SYGJJIXOKIORCY-FQEVSTJZSA-N 371.506 2.292 0 1 FEAF O[C@@]1(c2ccc(F)cc2)C[n+]2cccnc2N1Cc1ccc2c(c1)OCO2 72112062 ROBJMQKUGBXKLV-HXUWFJFHSA-N 366.372 2.102 0 1 FEAF CN(C[C@H](O)CN1CCc2ccccc2C1)C(=O)CCc1ccccc1 218906478 ZLKTUNJGJTWFQB-NRFANRHFSA-N 352.478 2.497 0 1 FEAF NCCCOc1c(Br)cc(CCN)cc1Br 14594679 GEEVJNJYEZHGHA-UHFFFAOYSA-N 352.070 2.440 0 1 FEAF biogenic Cn1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)n1 82154312 GTRGUNZMBJAFED-RISCZKNCSA-N 356.451 2.094 0 1 FEAF CN1CCN(CCn2c(N)nc3ccc(C(=O)c4ccccc4)cc32)CC1 84705142 PIJVETULRYGYCF-UHFFFAOYSA-N 363.465 2.097 0 1 FEAF CNC(=O)c1ccc([C@H]2CCCN2C(=O)CN(C)Cc2ccccn2)s1 82039382 NWZDDSFOMPTLRC-OAHLLOKOSA-N 372.494 2.298 0 1 FEAF CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 95794500 CKJQXFVSYNFZRY-UYAOXDASSA-N 364.445 2.278 0 1 FEAF Cn1cc([C@@H](NC(=O)c2ccccc2N2CCCC2)C2CC(O)C2)cn1 230501825 MEDXLPSBBXYKMP-KJXMEXGPSA-N 354.454 2.262 0 1 FEAF CC1(C)[C@H]2CC[C@@]13C(=O)[C@H]1O[C@@]3(C2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 254209954 ZUGTUFHISUSUOV-GJHJVIDESA-N 351.402 2.339 0 1 FEAF Cc1ccc(CN2CC[C@@H]3C(=O)N(Cc4cccnc4)CCO[C@@H]3C2)o1 299843749 XMFLCAZGEWYHEN-RBUKOAKNSA-N 355.438 2.233 0 1 FEAF CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccsc23)c1 653887616 WTUQKICTFCBUOL-UHFFFAOYSA-N 363.468 2.409 0 1 FEAF COc1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2n1 587203803 UNUDARZJKXCVKL-CYBMUJFWSA-N 370.365 2.409 0 1 FEAF Clc1ncnc2[nH]c(-c3cnn4cc(Br)cnc34)nc12 587005995 DGKHMHNOSFVJST-UHFFFAOYSA-N 350.567 2.479 0 1 FEAF O=S(=O)(c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C(F)F 587368421 PFEANQIYVUMFKN-UHFFFAOYSA-N 353.306 2.099 0 1 FEAF COc1cc2c(cc1OC)[C@](C)(c1c(C)[nH]n(C(C)=O)c1=O)N(C)[C@H](C)C2 962621926 HYKMHNQCYAKRED-BIBXISHDSA-N 373.453 2.302 0 1 FEAF COc1ccc(C[C@]2(C(=O)O)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963030351 NLKCDKZQRMVUHZ-SZNDQCEHSA-N 366.417 2.271 0 1 FEAF N=C(NCCCc1c[nH]cn1)NCCC(c1ccccn1)c1ccccn1 13816235 CMSZOWPXGMMYQG-UHFFFAOYSA-N 363.469 2.468 0 1 FEAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4040738 NWSDAMSPURXNMO-LNLFQRSKSA-N 371.437 2.325 0 1 FEAF O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCc3cccnc3)ccc21 4056997 NKCMFDQBACROML-UHFFFAOYSA-N 371.462 2.249 0 3 FEAF CC(=O)OCC=C(C)C[C@H](O)C=C(C)[C@H](O)CC=C(C)COC(C)=O 2356773194 SSUOGNQKOGHQIV-RBUKOAKNSA-N 354.443 2.454 0 1 FEAF CCN1CCN([C@@H](CNC(=O)c2ccc(F)cc2)c2cccnc2)CC1 20485551 BVGKJVJSYWZHNB-IBGZPJMESA-N 356.445 2.329 0 1 FEAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 61904461 XMVMICVRRSXZRO-FQEVSTJZSA-N 362.470 2.401 0 3 FEAF Nc1ccc(S(=O)(=O)Nc2nccc(-n3cnc4ccccc43)n2)cc1 1911571390 MUCHVCHFVIZAKP-UHFFFAOYSA-N 366.406 2.199 0 1 FEAF O=S(=O)(CS(=O)(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1 38986833 AIAYHRNUKLEJCF-UHFFFAOYSA-N 356.265 2.371 0 1 FEAF CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC[C@@H](N)C3)n2)cn1 211040712 WXBFQEMPNLLMNB-MRXNPFEDSA-N 374.452 2.236 0 1 FEAF CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NC3CCCCC3)n2)cc1 71317605 GXEFZNAFUGYJGB-UHFFFAOYSA-N 374.466 2.192 0 1 FEAF Cc1c(N2C[C@H](C)N[C@@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 49804029 CBANIYKPNRKAQE-QWRGUYRKSA-N 370.453 2.112 0 1 FEAF CN1CCN(C(=O)c2ccc(-c3nc4c(C=O)c(O)ccc4[nH]3)cc2)CC1 199613569 FXYVORVQTLDYCF-UHFFFAOYSA-N 364.405 2.136 0 1 FEAF CC(=O)N(C)c1cccc2n1cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C 49785225 PBEFRRGWHRFORY-UHFFFAOYSA-N 367.429 2.474 0 1 FEAF COCCN1CCC[C@]2(CCN(Cc3noc(C4CCCC4)n3)C2)C1=O 91942970 NYYKAUWFTWGCIQ-LJQANCHMSA-N 362.474 2.188 0 1 FEAF Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cc(C(N)=O)n1 149947663 GXYPTFRYAOSCOC-MRXNPFEDSA-N 374.828 2.056 0 1 FEAF COc1cc(Br)c([C@H](N)c2nc3cnncc3[nH]2)cc1OC 586977171 YQZJVQKVGXTFJG-ZDUSSCGKSA-N 364.203 2.181 0 1 FEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cncc(Cl)c2[nH]1 586958600 KBFVJYBNVSWRAW-AWEZNQCLSA-N 352.803 2.080 0 1 FEAF Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)n1 1772605669 VSXQHGDYMVKVRR-CQSZACIVSA-N 350.426 2.452 0 1 FEAF CCO[C@@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@H](C)[C@H]1CCCO 13657026 SXQPDTQKPMQUPU-LRDNONRASA-N 373.453 2.481 0 3 FEAF Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCN3CCCC3)[C@@H]1O2 169316339 OEPSBVJRHBUGJB-ACRUOGEOSA-N 356.466 2.347 0 1 FEAF Nc1ncnn2c([C@@H]3CCCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12 206408629 ZRCJEYZLDGRQCQ-SNVBAGLBSA-N 359.380 2.216 0 1 FEAF O=C(NCCc1ccc(F)cc1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O 205688005 BTLZWDLPNDTPJQ-UHFFFAOYSA-N 371.343 2.393 0 1 FEAF COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N(C)C)nc21 4238568 WMHTVROGZUFDFN-UHFFFAOYSA-N 359.817 2.219 0 1 FEAF CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)NC(C)C 28702057 RXBGNQVESFBRNB-HNNXBMFYSA-N 360.414 2.323 0 1 FEAF C[C@@H](O)c1onc(-c2cccnc2)c1C(=O)N(C)CCc1ccccn1 2356303006 JKICUKSUDMCJEN-CYBMUJFWSA-N 352.394 2.500 0 1 FEAF CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(F)(F)F)CC1 28476876 DNTFDCZZFATVOZ-UHFFFAOYSA-N 373.306 2.067 0 1 FEAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@@H]1CC(=O)NCCN(C)C 2356870447 XRHIKCUDHMGCKH-QRVBRYPASA-N 363.546 2.435 0 1 FEAF Cc1nc(-c2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cnc1N 224850237 RAESTVHGAWOEFK-UHFFFAOYSA-N 358.398 2.488 0 1 FEAF COC(=O)[C@@H]1CN(C(=O)C2CCCCC2)CCN1C(=O)C1CCCCC1 25231124 RBHUVEDXVQHZJD-KRWDZBQOSA-N 364.486 2.359 0 1 FEAF biogenic C[C@]1([C@H]2C[C@H](c3ccoc3)OC2=O)C[C@H]2OC(=O)C3=CCC[C@@](O)(O1)[C@]32C 238775270 YEXRBYBPNHPJRD-AZBDUMLBSA-N 374.389 2.403 0 1 FEAF CCSc1ccccc1C(=O)N(C)C[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1 618013983 GOSHFYQLAPWQME-QRTARXTBSA-N 361.511 2.475 0 1 FEAF CC1=C[C@@]2(CC(=O)N1CC1CC1)N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963472986 QJSQIYMCJGORMO-YWZLYKJASA-N 356.422 2.041 0 1 FEAF COc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1O 114819748 POVOVTPBLTXOPE-UHFFFAOYSA-N 360.414 2.401 0 1 FEAF C[C@H](O)Cn1c(=O)n(C)c(=O)c2cn(Cc3cccc4ccccc34)cc21 13603310 KHMWDJWYHHFKPL-AWEZNQCLSA-N 363.417 2.084 0 1 FEAF CCOC(=O)CCc1c(C)nc2nc(NCc3ccc(F)cc3)nn2c1O 15668903 DRCJDZCXLWUUDH-UHFFFAOYSA-N 373.388 2.385 0 1 FEAF Cc1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)s1 150338573 ZYECGCRLWLBAIN-GBOPCIDUSA-N 374.466 2.153 0 1 FEAF Cc1nc([C@H]2CCOC2)c2c(N3CCc4c(cnn4C4CC4)C3)ncnn12 169711729 LUJSHNHCTJYGSI-ZDUSSCGKSA-N 365.441 2.031 0 1 FEAF O=c1n(CCCN2CCN(c3ccc(F)cc3)CC2)c(O)c2n1CCCC2 169714899 UNINGNCNGLMMRX-UHFFFAOYSA-N 374.460 2.043 0 1 FEAF CS(=O)(=O)Oc1ccc(CCCC[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 101226316 FJQFTOSUQJUUCB-KDYLLFBJSA-N 372.439 2.202 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCCc1ccccc1Cl 4119177 QFYPAKIXVQWMJY-MHGIMSBQSA-N 372.852 2.196 0 1 FEAF CO[C@H]1CC[C@H](c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O 26823773 WVXAUICBQMLGGS-SUMDDJOVSA-N 374.437 2.390 0 1 FEAF COc1cc2nc(NCCCNC(=O)c3ccco3)nc(N)c2cc1OC 27635210 YLPZXJJBRKPCFF-UHFFFAOYSA-N 371.397 2.054 0 1 FEAF Cc1nc(C(=O)NCC(N)=O)cc(-c2ccc(Cl)cc2Cl)c1CN 66112377 MVCSVKGDWCMNLO-UHFFFAOYSA-N 367.236 2.038 0 1 FEAF Cc1noc(C)c1Cn1cc(NS(=O)(=O)c2ccccc2F)cn1 116673232 HAPUNHPFCABVDD-UHFFFAOYSA-N 350.375 2.476 0 1 FEAF C[C@H](CNC(=O)[C@@H]1CC[C@H](c2ccccn2)NC1=O)N(C)c1ccccc1 212179680 LLFCNFZHHCZENN-HHXXYDBFSA-N 366.465 2.290 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2[C@@H](O)CC(=O)[C@]21C 38495106 GLHMGBSDKSSHQL-RFNVSPHSSA-N 364.438 2.038 0 1 FEAF biogenic CC[C@]12CC(C(=O)OC)=C3Nc4cc(O)ccc4[C@]34CCN(C[C@@H]3O[C@@H]31)[C@H]42 14719368 HILHZMSRHLWRBI-MFZGXCKPSA-N 368.433 2.138 0 1 FEAF biogenic O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ncccc1OCc1ccccc1 71333887 PTJLQJGBLVSEMZ-MDBPOYHNSA-N 350.374 2.327 0 1 FEAF CCOC(=O)N1CCC(Nc2nc(N3CCSCC3)ncc2C)CC1 82202823 UNMBBXPDSVMKIP-UHFFFAOYSA-N 365.503 2.371 0 1 FEAF O=C(C1CC(F)(F)C1)N1C[C@H]2OCCN(Cc3ccsc3)C[C@@H]2C1 299842609 VEQJNZNGUVSJNT-HUUCEWRRSA-N 356.438 2.453 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(N(C)C)ccc41)[C@@H](C2)C3=O 587440635 PRSUVGSETGECFR-VBKZILBWSA-N 350.374 2.356 0 1 FEAF CCCCNS(=O)(=O)c1ccc2nc(COCCOCC)[nH]c2c1 587778943 SAWSIQCOIAJPHG-UHFFFAOYSA-N 355.460 2.194 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ncnc2O)N1 587779814 WHYXTXQOJQATLX-SREIQFSDSA-N 354.179 2.413 0 1 FEAF O=C(O)Cc1nn(Cc2nc3cc(O)ccc3s2)c(=O)c2ccccc12 13860747 NJOPJRLSIOYKDW-UHFFFAOYSA-N 367.386 2.387 0 1 FEAF Cn1cc2c(c1)-c1c(cc(S(=O)(=O)c3ccccc3)c(=O)n1C)CC2 169294705 HEQLUMUCCUNVBA-UHFFFAOYSA-N 354.431 2.322 0 1 FEAF Cc1cccc(C)c1OCCN1CCN(CC(=O)Nc2nccs2)CC1 169345145 MYIJCDHZYSDHPT-UHFFFAOYSA-N 374.510 2.395 0 1 FEAF CCOC(=O)C=C(I)I 169682060 ULBLUKDUPXNGMA-UHFFFAOYSA-N 351.909 2.261 0 1 FEAF O=C(NCc1ccncn1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166462398 YUCGCPUEYRFWMC-UHFFFAOYSA-N 374.404 2.349 0 1 FEAF COc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(C[C@H]3CCCO3)c2n1 4238252 GGVVLCJWEWQFSB-CYBMUJFWSA-N 374.347 2.319 0 1 FEAF CC(=O)N1CCN(C(=O)C2(NC(=N)Nc3ccccc3)CCCCC2)CC1 1857576956 DMCYRBDLXRXJNF-UHFFFAOYSA-N 371.485 2.016 0 1 FEAF CNCc1cc2c3c(ccc2n1C)-c1[nH]c(=O)c(C(=O)O)c(O)c1CCC3 142830628 VRWIUIVDJWQJHX-UHFFFAOYSA-N 367.405 2.146 0 1 FEAF CNC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc23)CC1 20564159 OJDXXDHXVSDCNC-UHFFFAOYSA-N 364.453 2.395 0 1 FEAF CC(=O)OCC=C(C)C[C@H](O)C=C(C)[C@@H](O)CC=C(C)COC(C)=O 2356773193 SSUOGNQKOGHQIV-OALUTQOASA-N 354.443 2.454 0 1 FEAF CCC(CC)C(=O)N[C@@H]1CO[C@@H]2[C@H](OC(=O)NC3CCCCC3)CO[C@@H]21 2356834077 JZCGLYIEXJPJIT-QBPKDAKJSA-N 368.474 2.133 0 1 FEAF COC(=O)C1=CO[C@H](C)[C@H]2[C@@H]1C[C@@H]1c3[nH]c4ccccc4c3CCN1[C@H]2O 238765900 AUJVVPBGBOEYGD-TUEIRUFWSA-N 368.433 2.497 0 1 FEAF N[C@@H]1N=CNc2c(CN3C[C@H](O)[C@H](CCCc4ccccc4)C3)c[nH]c21 253640102 VHJIRTUSMSLFBE-OXFYSEKESA-N 353.470 2.241 0 1 FEAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Cl)ncc3[nH]2)cc1 586931843 LZBBYQBHHLMWON-UHFFFAOYSA-N 366.830 2.441 0 1 FEAF Cn1cc(-c2cc3nccnc3c(NC[C@@H]3CNCC(F)(F)C3)n2)cn1 204316543 QAPDXRHCCUUBNB-NSHDSACASA-N 359.384 2.082 0 1 FEAF Brc1nc2n(c1Br)C[C@@]1(CN3CCC1CC3)O2 1857754260 MQBBQJBNXQVSMC-LLVKDONJSA-N 363.053 2.265 0 1 FEAF CCC[C@H](C(=O)Oc1c(OC)cccc1OC)N(CCOC)CCOC 13864512 HSSNEMFEVTZWNO-OAHLLOKOSA-N 369.458 2.373 0 1 FEAF COC(=O)c1ccc2c(c1)NC(=O)CN2Cc1ccc(OC)c(OC)c1 1857648410 LVMPVHSIWDCLIJ-UHFFFAOYSA-N 356.378 2.449 0 1 FEAF O=C(Cn1cc(C(=O)C(=O)NC2CC2)c2ccccc21)Nc1nccs1 1857752216 HUEHOAIYPHJSPL-UHFFFAOYSA-N 368.418 2.198 0 1 FEAF N[C@H]1CCN(c2nc3[nH]cc(CNc4ccccc4)c(=O)c3cc2F)C1 26986456 LGRUUJPWKKABJI-ZDUSSCGKSA-N 353.401 2.212 0 1 FEAF O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1ccccc1)N1CCOCC1 20108128 WGIGMUNVZVWKJV-LJQANCHMSA-N 354.406 2.470 0 1 FEAF COc1ccc(CC(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc1O 115732491 ZTYQMZYTKKEZEQ-UHFFFAOYSA-N 356.382 2.432 0 1 FEAF O=S(=O)(NC[C@@H]1Cn2c(-c3ccccc3)cnc2CO1)c1ccccc1 2356299332 GMNUITFNNFGFMB-MRXNPFEDSA-N 369.446 2.427 0 1 FEAF COc1cc(C=CC(=O)Nc2cc(OC)c(O)cc2C(=O)O)ccc1O 2356461896 YDAKMIMUVCLFIN-UHFFFAOYSA-N 359.334 2.465 0 1 FEAF C=C(O[C@H]1C[C@H]2CC[C@@H]([C@H]1C(=O)O)N2C(=O)CCC(=O)O)c1ccccc1 2356659990 AOIGVXGJIMSALP-PASDCYSWSA-N 373.405 2.371 0 1 FEAF C[C@H](O)[C@@H]1C[C@H](O)[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 2356668066 CCDBNJFEAVSCGU-OVRLTBGRSA-N 350.499 2.249 0 1 FEAF Oc1nc([C@@H]2C[C@@H](O)CN2)nc2c1oc1ccc(Br)cc12 84758340 CNVDRXITZNMNTP-APPZFPTMSA-N 350.172 2.239 0 1 FEAF Cc1ccc(-c2nc(C(=O)NCC(=O)NCc3ccccc3N)co2)cc1 82071931 DBQRIXPSGWOHSA-UHFFFAOYSA-N 364.405 2.278 0 1 FEAF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ncccc1O 95618858 KQXWMUFVDAFGPU-HNNXBMFYSA-N 373.434 2.197 0 1 FEAF world Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(S(N)(=O)=O)ccc1C)O2 587410328 QRKQZJPMIYLWLX-SFHVURJKSA-N 360.435 2.414 0 1 FEAF COc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cn1 587162404 AOKAGPQINVEHPE-UHFFFAOYSA-N 353.357 2.384 0 1 FEAF CN(C)C(=O)CN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587515870 WPQZFDHHBICPBC-UHFFFAOYSA-N 356.466 2.453 0 1 FEAF Oc1nc(S)nc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 586966677 JCTJZHIABZAKIS-UHFFFAOYSA-N 359.396 2.085 0 1 FEAF Cc1cc2c(cc1C)[C@@]1(N[C@H](C(=O)O)Cc3cc(C)c(O)cc31)C(=O)N2 963506159 FRZSCWYJGUVKLX-OXJNMPFZSA-N 352.390 2.112 0 1 FEAF COc1ccc(-c2cnnc(NCCCN3CCCC[C@@H]3CO)n2)cc1 12468346 WBVWWXKYGIONPO-MRXNPFEDSA-N 357.458 2.196 0 1 FEAF O=S(=O)(c1ccc(F)cc1)n1cc2c3c(cccc31)N1CCNC[C@H]1C2 169351347 JQUVGNFVRZWODK-OAHLLOKOSA-N 371.437 2.352 0 1 FEAF O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccccn1 205225017 QJSIDAFXZGMWSO-AWEZNQCLSA-N 353.279 2.026 0 1 FEAF N#CN1CC[C@H](N2CCN(c3cccc(-c4ccccc4)c3)S2(=O)=O)C1 1857601937 VQSFZGFBWTZLKS-IBGZPJMESA-N 368.462 2.276 0 1 FEAF OC[C@H](O)[C@@H](O)[C@H](O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 263604353 OORRNQJYAWSLHU-USXIJHARSA-N 357.233 2.200 0 1 FEAF O=C(NC[C@@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773848 AVPBVJSHCAIXSN-CYBMUJFWSA-N 362.382 2.292 0 1 FEAF COc1cccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c1 6892708 DHAFVNWPILJXTG-UHFFFAOYSA-N 364.448 2.218 0 3 FEAF C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100917065 FBCMKFWBKKWECU-CFAJVAMVSA-N 350.484 2.491 0 1 FEAF Cc1cc(CC(=O)N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)on1 20351710 ZSGAWXGHOAUMKD-UXHICEINSA-N 369.465 2.063 0 1 FEAF CC=C(C)C(=O)O[C@@H]1[C@@H]2[C@H](C[C@H](C)[C@@H]3[C@H](O)CC(=O)[C@]31C)OC(=O)[C@H]2C 2356759070 GLHMGBSDKSSHQL-GACYCLGHSA-N 364.438 2.038 0 1 FEAF O=S1(=O)CCSCCN1Cc1cc(F)ccc1Br 72137523 BFWQMNVMGRHYKJ-UHFFFAOYSA-N 354.266 2.467 0 1 FEAF CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H]3CNC[C@H]3O)nc12 1911574314 SMVTWEKPNPYGQX-DLBZAZTESA-N 366.469 2.209 0 1 FEAF Cc1nc(-c2ccccc2)n2nc(NCCCN3CCOCC3)ncc12 45484943 IFOFHKDVJCOAMH-UHFFFAOYSA-N 352.442 2.234 0 1 FEAF N[C@@H]1N=CNc2c(CN3C[C@@H](O)[C@H](CCCc4ccccc4)C3)c[nH]c21 253640105 VHJIRTUSMSLFBE-WRWLIDTKSA-N 353.470 2.241 0 1 FEAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3ncccc3[nH]2)cc1 586946354 KUVWDEVJBOPTPY-ZDUSSCGKSA-N 358.423 2.082 0 1 FEAF CN(Cc1nc2ccc(C(C)(C)C)nc2[nH]1)S(=O)(=O)c1cccnc1 586928623 GIXGOJCPZXLTRH-UHFFFAOYSA-N 359.455 2.471 0 1 FEAF O=S(=O)(NCCc1nc2ncc[nH]c-2n1)c1c(Cl)cccc1Cl 586941943 FMUSXHUMTOMZBV-UHFFFAOYSA-N 372.237 2.132 0 1 FEAF NCC(F)(F)[C@@H]1CC[C@@]2(C1)N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963236342 WOOUJBQBFWMPDC-ONUMYQOESA-N 361.392 2.423 0 1 FEAF C[C@@]1(CC(=O)NC2CC2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962639322 UPHMYSBSQIHWJS-BZNIZROVSA-N 372.343 2.068 0 1 FEAF O[C@@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCOCC1 13529068 BGSJEIFMGVDHLM-CTNGQTDRSA-N 371.477 2.425 0 1 FEAF CC=C(C)[C@H](O)[C@H](C)C=C[C@H](O)[C@H](C)[C@@H](O)C[C@H]1CC(O)=CC(=O)O1 2356472647 DPLVZZAZGYXULT-RIMXVXKQSA-N 354.443 2.011 0 1 FEAF CC(=O)[C@H]1[C@H](c2ccc3ncccc3c2)NC(=O)N[C@]1(O)C(F)(F)F 4057003 JLCFJNZTUINILZ-KCQAQPDRSA-N 353.300 2.045 0 1 FEAF CCC/C=C(\NC(=O)[C@@H]1CC1(Br)Br)C(=O)O 26020527 IPSBJOSZGHSTSI-BBEKVSQQSA-N 355.026 2.377 0 1 FEAF O=C(O)c1cn2c3c(c(N4CCSCC4)c(F)cc3c1=O)SCC2 27527201 AKAZQEXDNHXVCP-UHFFFAOYSA-N 366.439 2.498 0 1 FEAF O[C@H]1[C@H](n2cccn2)[C@H]2OC[C@@H](O2)[C@@H]1NCc1ccc(Cl)c(Cl)c1 2356776510 UMUPJBKIFWFBCD-CWVYHPPDSA-N 370.236 2.005 0 1 FEAF CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)NCc2ccco2)nn1 2356854175 RMJBEBKMWSXFSG-BFYDXBDKSA-N 371.485 2.195 0 1 FEAF CCOC(=O)CN1C(=O)N(CC)C(C)=C(C(=O)OC)[C@H]1c1ccccc1 72138628 MGBMAOLCBKLRLH-QGZVFWFLSA-N 360.410 2.495 0 1 FEAF C[C@H]1c2cn[nH]c2C(=O)[C@@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1 49035777 RSEQEACXQZGJOR-JGVFFNPUSA-N 374.344 2.160 0 1 FEAF COc1ccc(CN2CN3CCc4ccccc4[C@H]3CS2(=O)=O)cc1 263591017 YUERVHHODCQZCD-LJQANCHMSA-N 358.463 2.398 0 3 FEAF C=Cc1cccc(C=c2nc(O)c(=Cc3nc[nH]c3C(C)(C)C)nc2O)c1 299816743 OSFVWXAUIDVQJU-UHFFFAOYSA-N 362.433 2.209 0 1 FEAF O=C(NCCc1ccncc1)[C@H]1CC[C@H]2[C@@H](CCN2Cc2ccco2)O1 299842291 FPIMMDLOIYICTD-IPMKNSEASA-N 355.438 2.155 0 1 FEAF O=C(Cc1ccccn1)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 299842787 YPVZESIQMKKLCA-HKUYNNGSSA-N 355.413 2.127 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CCO[C@H]2C3)N1 587789559 DVHBQVKCAKKQSH-CIISACIHSA-N 355.251 2.422 0 1 FEAF COc1ccc(S(=O)(=O)Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 586920207 GBLJTDZTNFCQLR-UHFFFAOYSA-N 371.418 2.430 0 1 FEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(Br)cc2[nH]1 587204718 RUGZILFMDQFYGI-GFCCVEGCSA-N 367.247 2.404 0 1 FEAF CNc1nccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587741573 HTBKJDVTQGGRIN-RTHLEPHNSA-N 351.223 3.044 0 1 FEAF COC(=O)N1CCc2nc(Nc3cc(OC)c(OC)c(OC)c3)ncc2C1 1772586794 GZXJESNMBXPHCL-UHFFFAOYSA-N 374.397 2.371 0 1 FEAF COc1c(C)cc(C(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C 11663049 GWCFSNINLYNWMM-AWEZNQCLSA-N 354.472 2.013 0 3 FEAF COC1=CC=CC[C@@H]1[C@H](CN(C)C)Nc1ncnc2c(C(N)=O)cccc12 167069804 OKFZWSPIHHWNPJ-CJNGLKHVSA-N 367.453 2.177 0 1 FEAF CC(C)(O)COCC(C)(C)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857613100 TWSFYAXEDIOFFN-UHFFFAOYSA-N 367.453 2.487 0 1 FEAF COc1cc([C@H]2C(=O)NC(=O)N2c2ccc(C)c(N)c2)cc(OC)c1OC 1857646645 IBEGCZQAGMKKGS-INIZCTEOSA-N 371.393 2.401 0 1 FEAF Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C[C@H]1CCCNC1 8581944 MVFQHVQABARLKS-JTQLQIEISA-N 358.833 2.434 0 1 FEAF Cc1cc(C)c2cc([C@@H](O)c3nnnn3Cc3ccccc3)c(=O)[nH]c2c1 8674188 RQJINZLIXCPQAE-GOSISDBHSA-N 361.405 2.261 0 3 FEAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1CCC[C@H](O)[C@@H]1O 27102696 UMBMDDFTYGIXPG-NYCLONFESA-N 367.453 2.316 0 1 FEAF COCC1=Nc2ncnn2[C@H](c2cc(OC)ccc2OC)/C1=C(/O)OC 103538670 NZMRQGGLJUVVKP-VZHUHSAUSA-N 360.370 2.033 0 1 FEAF CCCCC(=O)NCCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26567333 XUXRZCPRNOVDFX-AWEZNQCLSA-N 350.440 2.266 0 1 FEAF O=c1oc2ncccc2n1CCCN1CCN(Cc2ccccc2)CC1 28755125 RTBSDNIHOMVOID-UHFFFAOYSA-N 352.438 2.197 0 1 FEAF CCCCN1C(=O)[C@H](CC(=O)NC2CCCC2)CC(C(=O)N(C)C)=C1C 61923398 MUACXJDBMUFXJW-HNNXBMFYSA-N 363.502 2.446 0 3 FEAF O=C1C[C@H](O)[C@H]([C@@H]2C[C@H](O)CCC23Oc2cccc4cccc(c24)O3)O1 2356516775 JGGAIMHFJGEJKE-BZIRYSOJSA-N 356.374 2.145 0 1 FEAF Cc1cc(C(=O)c2cccnc2N)nc(N2CCN[C@@H](CC(C)C)C2)c1 68198768 YOSWNJPQIDFLAM-HNNXBMFYSA-N 353.470 2.423 0 1 FEAF COc1cc([C@H]2Oc3cc4ccc(=O)oc4cc3O[C@@H]2CO)ccc1O 535384804 YMXPBFBMXWPRNM-IEBWSBKVSA-N 356.330 2.381 0 1 FEAF biogenic,in-vitro COc1ccc(F)c(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)CO3)c1 149402679 XONPOKBMDJXSSK-HXUWFJFHSA-N 370.380 2.451 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ncon4)ncc23)ccn1 261139924 MWZDBPQMRSERAI-UHFFFAOYSA-N 350.342 2.033 0 1 FEAF C=CS(=O)(=O)N1CCN(C(=O)c2cc(C3CCCCC3)no2)C[C@H]1C 618018178 VIULSSXTZUDWOR-CYBMUJFWSA-N 367.471 2.342 0 1 FEAF Cn1nc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(F)c1O 587154588 FEDUKPNVAQFZQZ-UHFFFAOYSA-N 364.280 2.102 0 1 FEAF CCOC(=O)[C@@H](Cc1ccc(F)cc1)c1ccc2c(O)nc(O)nc2n1 587370409 WGABHORRGQDVNH-ZDUSSCGKSA-N 357.341 2.465 0 1 FEAF Cn1cc(-c2ncc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)s2)cn1 587020949 DLXSBYGJYLCFAB-UHFFFAOYSA-N 352.379 2.418 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCNC(=O)C3)cc1)O2 587402171 ZCNBGFFGIMHMNR-GOSISDBHSA-N 351.406 2.220 0 1 FEAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 587787223 LRNVFENIMJBTIY-UHFFFAOYSA-N 373.434 2.343 0 1 FEAF N=c1[nH]c2nc([C@H](O)c3ccc(Br)cc3)nc-2c(Cl)[nH]1 586997045 MCGIMYRKMIMKBV-MRVPVSSYSA-N 354.595 2.215 0 1 FEAF COc1ccc([C@@H]2[C@@H](C(C)=O)C(=O)C(=O)N2c2nccs2)c(OC)c1 169690673 WXFQKXPFULXBLO-ZIAGYGMSSA-N 360.391 2.023 0 1 FEAF Cc1ccccc1N1CCN(CCCCn2c(O)c3n(c2=O)CCC3)CC1 169716661 XSGOCTJPUHCQAL-UHFFFAOYSA-N 370.497 2.212 0 1 FEAF Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(CC(F)(F)F)n1 1857540247 GDBKRNPVDKSRIA-UHFFFAOYSA-N 365.319 2.046 0 1 FEAF COc1ccnc2c1c(=O)n(Cc1cccc(C(F)(F)F)c1)c(=O)n2C 9571616 DJZJIDKKQPVTPM-UHFFFAOYSA-N 365.311 2.171 0 3 FEAF COc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CCN3C2)cc1 27764744 DJHHAPHHUCKKIN-SJORKVTESA-N 354.454 2.465 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@]21C 100829360 WKMBTXJFBQEZHO-UMTBRJPPSA-N 362.422 2.452 0 1 FEAF endogenous,in-man COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C[C@@H]([C@H](C)CO)[C@H]1C[C@@H]23 2356370124 XHXATGWZFXQDLS-OVYNGETBSA-N 354.450 2.129 0 1 FEAF COc1ccc2cc([C@@H](C)C(=O)NCc3n[nH]c(=S)n3N)ccc2c1 103198503 NHTOLOWTTIZWPX-SNVBAGLBSA-N 357.439 2.236 0 1 FEAF CNC1=NC(=O)[C@H]([C@@H](CC(=O)OC(C)(C)C)c2c[nH]c3ccccc23)O1 28770119 DFXLXUJXQPCQMA-LRDDRELGSA-N 357.410 2.484 0 1 FEAF CCO[C@]1(C(=O)OC)NC(=O)C(c2ccc(O)cc2)=C1c1ccc(O)cc1 2356477327 RTIXIUHITOJLHG-HXUWFJFHSA-N 369.373 2.044 0 1 FEAF COc1ccc(CCC(=O)O)c2c1[C@H]([C@@H](O)C(C)(C)O)OC(C)(C)O2 2356609442 APMMATLSOWXISW-HZPDHXFCSA-N 354.399 2.030 0 1 FEAF COc1cc([C@@H]2c3cc(OC)c(O)cc3C[C@H](CO)[C@H]2CO)ccc1O 2356666744 OEZZQOVAJDAVSJ-WAWZGNHOSA-N 360.406 2.020 0 1 FEAF C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O 39008934 BWDPEGUHIBSSSY-PMKVJAKQSA-N 362.422 2.203 0 1 FEAF CCOC(=O)c1nnc2n(c1=O)CCN2c1ccc(Cl)c(Cl)c1 35906661 DFFZWCLUPKOOPH-UHFFFAOYSA-N 355.181 2.274 0 1 FEAF N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cncc(Cl)c3)CC2)[C@H]1O 72153829 GBVBMGMKTHVHGI-SJORKVTESA-N 357.841 2.283 0 1 FEAF CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@@H](C)N3)cc1 82207134 JNJDVARGDUAIEG-CYBMUJFWSA-N 358.442 2.416 0 1 FEAF COc1ccc(OC)c(CCNc2nc(N(C)CCN(C)C)ncc2C)c1 82202806 SYDKDLIHUBNKEL-UHFFFAOYSA-N 373.501 2.455 0 1 FEAF C[C@@H](Oc1ccc([S@](C)=O)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 148616350 OEZIOTVGUGZTPR-PMBNEWNESA-N 351.468 2.360 0 1 FEAF C=CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 621477462 LTPRGILJEOFMFS-GFCCVEGCSA-N 358.847 2.016 0 1 FEAF CNC(=O)COc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587433515 RTODMEZYHAXZGM-FOIQADDNSA-N 353.374 2.309 0 1 FEAF CNC(=O)c1c(C)[nH]c(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1C 587655176 VESOLGKXUKZBOX-UHFFFAOYSA-N 358.785 2.043 0 1 FEAF COc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1F 586957600 CLDQWQJZXQOTHR-INIZCTEOSA-N 365.386 2.180 0 1 FEAF O=C1NC(=O)[C@H](C[C@@H]2COc3ccc(Br)cc3C2=O)S1 169325621 LQENPMDZEOSVTA-LDWIPMOCSA-N 356.197 2.382 0 1 FEAF COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCCC1 203469083 VWCAPNULAJZYNF-FOIQADDNSA-N 360.454 2.239 0 3 FEAF CNC(=O)[C@H](CC1CCC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 207415516 MPZLBHNPCIQCKS-HNNXBMFYSA-N 372.469 2.177 0 1 FEAF CN1C[C@H](N=c2[nH]c3ccsc3c(=O)n2C)C[C@H](c2ccccc2)C1 1857568813 KGKYKNIMKCWXIP-LSDHHAIUSA-N 354.479 2.317 0 1 FEAF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)N2CCOCC2)cc1 769692 TXVWEPLLCZJYPA-HKUYNNGSSA-N 369.421 2.296 0 1 FEAF CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)CC[C@H]4[C@H](C2)N(C)CC[C@@]341 100579069 NCXVKLDKUADJPV-XTNBKJMLSA-N 371.433 2.213 0 1 FEAF CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CO)cc3)c(F)c2)C(=O)O1 116057449 XBISYWZDDQVGLM-INIZCTEOSA-N 358.369 2.446 0 1 FEAF CCS(=O)(=O)Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12 71410840 PZUCDXDZRRTQPH-UHFFFAOYSA-N 355.326 2.185 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)nc2O)N1 587776880 YUOXBFXKKOPKFY-SREIQFSDSA-N 354.179 2.413 0 1 FEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 586946521 ZPHRKTINEMTTQM-UHFFFAOYSA-N 358.782 2.368 0 1 FEAF CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2C)C1 1772645867 SSTRQKVGFZOZCS-UHFFFAOYSA-N 350.426 2.469 0 1 FEAF CCn1ccnc1CNC(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 12299726 GTZCVECLIYFVBW-HNNXBMFYSA-N 358.417 2.097 0 3 FEAF Cc1c(O)c(C)c2c(c1O)C(=O)[C@@H](Cc1ccc3c(c1)OCO3)[C@H](O)O2 13481973 HUGFWFLIFYXRSJ-NSPYISDASA-N 358.346 2.196 0 1 FEAF biogenic,in-vitro COCCNC(=O)c1ccc(OCc2c([C@H]3CCCCN3)noc2C)nc1 169685419 RMGRVWWGRIGWRJ-MRXNPFEDSA-N 374.441 2.148 0 1 FEAF CN1C(=O)[C@H]2C[C@@H](CN2S(=O)(=O)Cc2ccccc2)Oc2ccccc21 2356300788 XZLFHTIUSXOMBL-DOTOQJQBSA-N 372.446 2.015 0 1 FEAF C(=C/CSc1nncc2cncn12)\CSc1nncc2cncn12 29412228 HQIDVAPXAQULFF-OWOJBTEDSA-N 356.440 2.003 0 1 FEAF CO[C@@H]1[C@H](OC)C=C(C)C[C@H](OC(C)=O)[C@@]23O[C@H](O)[C@@H]1[C@H]2CC3(C)C 2356585010 AAWDEFFPMVTDSD-NPHBAILJSA-N 354.443 2.048 0 1 FEAF COc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)nc2ccccc12 216032234 ZISFDLHPKNLHJJ-BFUOFWGJSA-N 355.438 2.284 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(C)=O)N(C(=O)NC(C)C)[C@H]2CO)cc1 95662405 FEKQHXBHQYVHEN-FZEFPESISA-N 373.497 2.445 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C[C@H](O)[C@]13COC(=O)C1=CCC[C@@H]32 85692916 JSCUJDQZVVPLGE-BUSATUKNSA-N 356.374 2.454 0 1 FEAF biogenic CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 586903559 QBXDNBAAMPWPPR-UKRRQHHQSA-N 357.435 2.382 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CCC(=O)O)c2ccccc21 587399624 LEBJRTIBHADLPY-HXUWFJFHSA-N 366.373 2.259 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(CN3CCCCC3)OCC1=O)O2 587402111 YDSYLODPUOVZKY-HXUWFJFHSA-N 356.422 2.250 0 1 FEAF O=c1n(CCCCN2CCN(c3ccccc3)CC2)c(O)c2n1CCCC2 169714881 FVWAQEKBJIPULJ-UHFFFAOYSA-N 370.497 2.294 0 1 FEAF CO[C@@H]1CCN2C(=O)c3cccc(NC(=O)Nc4ccn(C)n4)c3[C@@H]2C1 116946996 JIJPYLYVOQUHBD-RISCZKNCSA-N 355.398 2.370 0 1 FEAF O=C1COC2(CCN(C[C@H](O)c3ccccc3)CC2)[C@@H](c2ccccc2)N1 27982787 POAMEVTUHXXPLS-PZJWPPBQSA-N 366.461 2.442 0 1 FEAF CC(C)[C@@H]1C=C[C@](C)(O)CC[C@H](O)[C@@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 2356421237 ZXUDZQNLOBXDTI-MFMLGXQFSA-N 352.471 2.494 0 1 FEAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2cccnc2)n1 2356661424 AIGZESIAVXHCJQ-OKYOBFRVSA-N 370.497 2.075 0 1 FEAF C[C@@H]1O[C@]1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@]3(C[C@@H]2[C@@]1(C)O)OC3(C)C 13321622 KMNGBPKXTNCURX-RILPGWDHSA-N 366.454 2.153 0 1 FEAF biogenic N[C@H](CC(=O)Nc1ccccc1C(=O)O)c1nc(-c2ccc(O)cc2)no1 71332232 AXWCJXNCHIYWDN-CYBMUJFWSA-N 368.349 2.169 0 1 FEAF COC(=O)c1cc2c(c(O)c1OC)CCN1CCC3=CC[C@H](OC)C[C@]321 15203810 MMZBOILCDYNGKK-RBZFPXEDSA-N 359.422 2.380 0 1 FEAF biogenic COc1cccc(Nc2cc(C(N)=O)nc3ccc(S(C)(=O)=O)cc23)c1 40898976 YCRVXZSEMJOWLG-UHFFFAOYSA-N 371.418 2.489 0 1 FEAF COCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205672 QLOHSPGUDRXHSI-HZPDHXFCSA-N 370.453 2.178 0 1 FEAF O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccco2)ccc1=O 25427136 CKPNLUVFLWBHLZ-KGLIPLIRSA-N 362.389 2.158 0 1 FEAF biogenic CCNC(=O)c1ccc2nc(C)c3nnc(-c4cncc(OC)c4)n3c2c1 95593910 UMJOYABDDYRKPH-UHFFFAOYSA-N 362.393 2.406 0 1 FEAF CN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4cncc(F)c4)cc32)N=C1N 95601547 VXJSSKWZJQSEGW-IBGZPJMESA-N 354.385 2.431 0 1 FEAF COc1cccnc1C(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C 653823834 MYMKBKBDJSJFNV-UHFFFAOYSA-N 370.409 2.320 0 1 FEAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(N)=O 587391397 SXIACEOPSQOBKK-INIZCTEOSA-N 356.378 2.156 0 1 FEAF N=c1[nH]c2nc(C(F)(Br)Br)nc-2c(Cl)[nH]1 587088561 ORGLLHKLAONRBF-UHFFFAOYSA-N 359.384 2.240 0 1 FEAF CCCS(=O)(=O)N1CCC(c2nc3cc(OC)cc(OC)c3[nH]2)CC1 586953242 RVKMIUKXMICPAH-UHFFFAOYSA-N 367.471 2.499 0 1 FEAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(CCOc3cc4c(cc32)OCO4)N1 962899008 PVQDOPVDKBCHEW-LIRRHRJNSA-N 357.337 2.179 0 1 FEAF COc1ccccc1CNC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 13129095 NTXLMYSUNWMINW-XFKLWTPLSA-N 373.449 2.186 0 1 FEAF O=S(=O)(NCC(F)(F)F)c1ccc2c(c1)CN[C@@H](C(F)(F)F)C2 13686906 BIXICDCKMHPASK-SNVBAGLBSA-N 362.295 2.104 0 1 FEAF CN1CCN([C@H](c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1 19589878 IMCUMTUBEIVFBN-QGZVFWFLSA-N 372.473 2.259 0 3 FEAF O=C(NCCCN1CCOCC1)Nc1noc2c1COc1ccccc1-2 20509185 RJRBFLXWCWAHMG-UHFFFAOYSA-N 358.398 2.078 0 1 FEAF C[C@]12[C@@H]3C[C@@]4(C)O[C@@]1(CCC[C@H]2C(=O)O3)O[C@@H]1[C@H](c2ccoc2)OC(=O)[C@H]14 2356395837 XSUYRBLFYMCFCL-XEENTPLFSA-N 374.389 2.500 0 1 FEAF O=C(c1ccncc1)N1C[C@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356632425 BBUKAQHDDPJSRQ-XJKSGUPXSA-N 358.348 2.476 0 1 FEAF Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1NCCc1cccc(F)c1 82203794 BSKCZBQMRLORNL-HNNXBMFYSA-N 357.433 2.280 0 1 FEAF CCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1ccc(-c3ccco3)c(=O)n1C2 25235630 WSZQFIZZOCKPGZ-KGLIPLIRSA-N 362.451 2.267 0 1 FEAF biogenic Cc1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2cc1Br 586929751 IMYLRRJXCZEAMG-UHFFFAOYSA-N 355.217 2.276 0 1 FEAF CC1CCC(NS(=O)(=O)Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 586953800 ZVKCXXGPGBHPFS-UHFFFAOYSA-N 363.443 2.143 0 1 FEAF CCN(CC)C(=O)CC[C@@H]1C(=O)Nc2cc(Cl)ccc2C(=O)N1C 1772650082 NJXAONWDIKGDOM-CQSZACIVSA-N 351.834 2.381 0 1 FEAF O=C(O)C[C@H](c1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O 19784108 UXFLHBXAOGKMQB-CQSZACIVSA-N 353.330 2.270 0 1 FEAF CNc1ccc(-c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)ccc1=O 837398 KAKXRVVBBNLNRY-QGZVFWFLSA-N 367.405 2.217 0 1 FEAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCC[C@@H]1C(N)=O 2356290426 SDBPCTBVNUFDHN-BXKDBHETSA-N 363.801 2.138 0 1 FEAF N[C@@H](Cc1ccc(O)cc1)C(=O)NCC12C[C@@H]3C[C@@H](C1)CC(C(=O)O)(C3)C2 101489514 MUFXIMBYDBJGBL-QWIBNBTQSA-N 372.465 2.049 0 1 FEAF Cn1c(N2CCN[C@@H](c3ccc(F)cc3)C2)nc(-c2ccncc2)cc1=O 116770677 FUNQYVHHYVHMGM-GOSISDBHSA-N 365.412 2.132 0 1 FEAF CC(C)C[C@H](N)C(=O)N[C@@H](C12CC3CC(CC(C3)C1)C2)P(=O)(O)O 26291829 MWQREKPOGRYXBG-QCDFSEFNSA-N 358.419 2.196 0 1 FEAF COc1ccc(C(=O)Nc2ccc(OC)cc2NC(=O)COC(C)=O)cc1 66259203 AHHMYFPVKKSACD-UHFFFAOYSA-N 372.377 2.458 0 1 FEAF COC(=O)C1=C2Nc3cc(O)ccc3[C@]23CCN2CCC[C@]([C@@H](C)O)(C1)[C@H]23 2356683865 FHMZPCPNSNRDQC-TUQOMBBFSA-N 370.449 2.122 0 1 FEAF COc1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NCc2ccco2)cc1 2356859053 SQMHTEDCPFUQSJ-BRSBDYLESA-N 374.393 2.161 0 1 FEAF O=C1c2ccc3ccoc3c2O[C@@H]2COc3cc4c(cc3[C@]12O)OCO4 238760879 RFBAPRONSCOSFV-DNVCBOLYSA-N 352.298 2.385 0 1 FEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(Br)c2[nH]1 587203891 NHZAWMKHLCXRFY-LLVKDONJSA-N 367.247 2.404 0 1 FEAF O=C(OC1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2ncco2)c2ccccc12 1772585040 QXKOYTICPVMOAR-PBWFPOADSA-N 353.378 2.295 0 1 FEAF Cc1ccc(S(=O)(=O)NC(=O)COc2ccc3[nH]ncc3c2)c(C)c1 1857551669 NXLQOIRSZFGFCH-UHFFFAOYSA-N 359.407 2.064 0 1 FEAF CCN(CC)c1cc(NC2CC2)n2ncc(/C=C3\SC(=O)NC3=O)c2n1 117819007 ADPHKYSCOAMTIB-GHXNOFRVSA-N 372.454 2.474 0 1 FEAF Cc1c(N2C[C@H](C)N[C@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 29490119 CBANIYKPNRKAQE-PHIMTYICSA-N 370.453 2.112 0 1 FEAF COC(=O)C1=CO[C@H](C)[C@@H]2CCN3CC[C@]4(C(=O)Nc5ccccc54)[C@H]3[C@H]12 2356684665 UNCUIOYXLHTFMA-USNUKUOPSA-N 368.433 2.063 0 1 FEAF Cc1cc2c(cc1C(=O)N[C@@H](c1ccccn1)C1CC(O)C1)OCCO2 230534976 FONOAZFOPMIEOP-SVGDTCPJSA-N 354.406 2.403 0 1 FEAF C[C@@H](CO)Nc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 95574553 ANVMGBJXXQJYER-NSHDSACASA-N 370.384 2.197 0 1 FEAF Cc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@H](F)[C@H]2F)c(O)nc1=O 253634539 PQQRFJCTYYBOKY-HLPPOEQASA-N 352.337 2.048 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@H](C)[C@@]21C 257604058 WKMBTXJFBQEZHO-JLPWYGTLSA-N 362.422 2.452 0 1 FEAF endogenous,in-man COC(=O)C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587806614 KFBKSLJEJRTIQR-GLEZIHRCSA-N 358.207 2.470 0 1 FEAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1cnn(C(C)(C)C)c1)[C@@H](C2)C3=O 587433562 ZGLGAUCHNCMZDR-DJJJIMSYSA-N 356.378 2.374 0 1 FEAF COc1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2n1 587127391 SFVUSZRMZJKDFY-UHFFFAOYSA-N 358.301 2.322 0 1 FEAF Cc1ccc2c(ccc3nc([C@H](C)NS(=O)(=O)c4cnn(C)c4)[nH]c32)n1 586938027 IHXKSNUWMARKCE-NSHDSACASA-N 370.438 2.193 0 1 FEAF COc1cc(N)c([C@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1OC 962894138 HOLPTTDDVGPFIQ-HNAYVOBHSA-N 360.385 2.288 0 1 FEAF O=c1cc(Cl)[nH]nc1NS(=O)(=O)Cc1cc(F)cc(Cl)c1 222848348 LIGIRDISLRWNAM-UHFFFAOYSA-N 352.174 2.158 0 1 FEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1C[C@@H](O)C1 1772650147 RRSYIVJLGUPYPY-TXEJJXNPSA-N 363.421 2.154 0 1 FEAF COC(=O)CCC(=O)NCc1cccnc1N1CCc2ccccc2C1 12204351 BULYLNZEMNTSDX-UHFFFAOYSA-N 353.422 2.214 0 1 FEAF O=c1[nH]nc(Cc2ccc(F)c(-n3c(O)ccc3O)c2)c2c1CCCN2 169727991 UEFYGOPDSKFOBV-UHFFFAOYSA-N 356.357 2.060 0 1 FEAF COc1ccccc1-n1cc(COc2ccc(OCC(=O)O)c(F)c2)nn1 1857570056 BFMUMZKEFPZJBU-UHFFFAOYSA-N 373.340 2.457 0 1 FEAF CCOc1nc2cnccc2n(CC(=O)Nc2ccc(C)c(C)c2)c1=O 9740082 JBNGVWUGXIRSGD-UHFFFAOYSA-N 352.394 2.446 0 3 FEAF O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(Cc3cccs3)nc12 118653878 FMCDOLBSRBSVDW-NSHDSACASA-N 356.451 2.403 0 1 FEAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C)[C@H]1c1ccncc1 26569196 PEZHVVNWYWIXGL-XMGGNUPJSA-N 359.426 2.435 0 1 FEAF C[C@@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C2CC2)CC(C)(C)N1 27517997 CUHXFMKDXWFYGI-LLVKDONJSA-N 370.453 2.194 0 1 FEAF CCCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195377233 STRMKLVHDMFVTN-SVYLRGBCSA-N 355.434 2.226 0 1 FEAF Fc1ccc2c(c1)nc(N1CCN(Cc3nc[nH]n3)CC1)c1cccn12 40828498 XONPZWREUKIQIP-UHFFFAOYSA-N 351.389 2.067 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(CC3CC3)C23CN(C(=O)COC)C3)cc1 95869256 DNRYNPMSMGJEFB-AWJROHARSA-N 370.493 2.117 0 1 FEAF NS(=O)(=O)c1cccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12 587165376 SXSILNSBHGOLSH-UHFFFAOYSA-N 371.397 2.261 0 1 FEAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(Cl)nc3[nH]2)cc1 586947453 ZDTKGSVYWILBAH-UHFFFAOYSA-N 350.831 2.305 0 1 FEAF O=C(O)c1cccc2c1CCN[C@]21CCC[C@H](c2cnc(O)nc2O)C1 963128554 BOUBHMQGFCDDII-WLRWDXFRSA-N 355.394 2.285 0 1 FEAF COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(OC)c1 1857651787 KBAYUKSPKXTIED-SOGBHIHOSA-N 355.390 2.315 0 1 FEAF O=C(CNC(=O)c1ccccc1)NC1(C(=O)NC2CCCC2)CCCCC1 4019293 DBVBLQWNPCZEKK-UHFFFAOYSA-N 371.481 2.294 0 3 FEAF COc1cc(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC 100503967 GVOZKRLLOJPRDA-HOTGVXAUSA-N 370.449 2.493 0 1 FEAF COC(=O)c1cc(NC(=O)CCc2ccco2)ccc1N1CCOCC1 29128800 HKTRPXADQDXDNJ-UHFFFAOYSA-N 358.394 2.474 0 1 FEAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 118928929 MQSSTQLJJOVNQF-KWHXHVTNSA-N 352.515 2.474 0 1 FEAF CCO[P@@]1(=O)OC(C)=c2sc(Br)cc2=C1C(=O)OC 64453910 PTBBKGFCWDJUNQ-GOSISDBHSA-N 367.157 2.180 0 1 FEAF CC(C)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 39024956 FHVBVJXZKNCSLP-CVEARBPZSA-N 351.878 2.321 0 1 FEAF in-vivo CCN1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 95869547 YXKNAACKMYCBFZ-IRFCIJBXSA-N 354.425 2.484 0 1 FEAF CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@@H](O)Cc3c(ccc4c3OCO4)[C@@H]21 238769732 VINIVXVRXVXNTR-QGTPRVQTSA-N 353.374 2.331 0 1 FEAF Cc1[nH]c(-c2ccccc2)nc1C(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 230503854 WSWXWOCDTWLVEE-PVARCSIZSA-N 365.437 2.361 0 1 FEAF CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 261182726 WKOHIQBHDYTBDY-YEORSEQZSA-N 368.434 2.396 0 1 FEAF Oc1cccc([C@H](O)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 586894098 ZTKYUXYNLUTQRE-HNNXBMFYSA-N 363.377 2.410 0 1 FEAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1 586915353 DEXSYXOXYHJSPL-INIZCTEOSA-N 367.471 2.101 0 1 FEAF COC(=O)c1cccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c12 587224477 IQWIYIQZANTWLF-LBPRGKRZSA-N 353.378 2.433 0 1 FEAF CCCS(=O)(=O)N1CCC(c2nc3cc(OC)c(OC)cc3[nH]2)CC1 586951971 FCNIPLYFSDJPLR-UHFFFAOYSA-N 367.471 2.499 0 1 FEAF COc1ccc(S(=O)(=O)Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 586920644 OYXOLOOPBLNVCJ-UHFFFAOYSA-N 372.328 2.306 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(C34CCC(CO)(CC3)CC4)[nH]c12 586899216 NMEQNKMJGWCVTJ-UHFFFAOYSA-N 363.483 2.398 0 1 FEAF Cc1cc(C)c2c(c1)[C@]1(N[C@H](C(=O)O)Cc3ccc(O)c(C)c31)C(=O)N2 963522624 FWZAWBLWVLFEBL-VBKZILBWSA-N 352.390 2.112 0 1 FEAF CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3S2(=O)=O)cc1 5842098 FMLACWODVBIRRF-MRXNPFEDSA-N 374.418 2.209 0 1 FEAF CN(C)S(=O)(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2 13472642 RVTNMOMNROBZSA-UHFFFAOYSA-N 360.435 2.159 0 1 FEAF Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2COCCO)c1 1554722 DLDYWYXMJCSMIQ-UHFFFAOYSA-N 364.467 2.394 0 1 FEAF CC(C)NC(=O)N1CC[C@H](CC(=O)O)[C@@H](Cc2nc3cnccc3[nH]2)C1 2356428612 RCSXAYJCSWSMEU-OLZOCXBDSA-N 359.430 2.031 0 1 FEAF CCOC(=O)CNC(=O)c1sc(NC(=O)c2ccccc2F)nc1C 4218062 IHFWDNOFDRSICE-UHFFFAOYSA-N 365.386 2.136 0 3 FEAF O=C(Cn1c(=O)c2cc(Cl)ccc2n2nncc12)Nc1ccccc1 6817544 JJCUMZBTHJZBCC-UHFFFAOYSA-N 353.769 2.336 0 1 FEAF O=S(=O)(N1CCCC1)N1CCc2[nH]nc(-c3ccccc3Cl)c2C1 23251575 MULROIAZDIHFGI-UHFFFAOYSA-N 366.874 2.429 0 1 FEAF COc1ccc(S(=O)(=O)NC[C@@H]2COCc3nc4ccccc4n32)cc1 2356656202 DVBCNGRJBIALSA-CYBMUJFWSA-N 373.434 2.095 0 1 FEAF Cc1cc2c(c(-c3cnccn3)c1)O[C@@H](CNC(=O)[C@H]1CCCN(C)C1)C2 39353715 ULOLRRVXTRJZTG-DOTOQJQBSA-N 366.465 2.214 0 1 FEAF CS(=O)(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1 71317225 ISWAJEMQAQNLMY-UHFFFAOYSA-N 368.418 2.382 0 1 FEAF C[C@H](Cc1ccn(-c2ccc(O)cn2)n1)C(=O)Nc1ccccc1C(=O)O 49050607 AMULEMYYQGJZNA-GFCCVEGCSA-N 366.377 2.488 0 1 FEAF Cc1cc(O)c(C)c(O)c1C(=O)OCc1cc(O)c(C)c(O)c1C(=O)O 14514368 HJSVWTGBWGRFDQ-UHFFFAOYSA-N 362.334 2.489 0 1 FEAF biogenic CN(C)/C=C1\CC[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)NC1=O 1911586671 RUEVHGCJPSEBFO-MARXPDLDSA-N 356.253 2.334 0 1 FEAF COc1ccccc1CN1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(C)=O)C2 95793985 MBSOMLPYCNTFBE-FPOVZHCZSA-N 366.461 2.256 0 1 FEAF CO[C@@H]1CC[C@H](c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)CCC1=O 299805127 WVXAUICBQMLGGS-HHXXYDBFSA-N 374.437 2.390 0 1 FEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCS(=O)(=O)CC2 587609823 AHFOYRGJYBEFNZ-HNNXBMFYSA-N 360.387 2.301 0 1 FEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(CCO)c1 587583994 XXFNOLSECRKYHC-APWZRJJASA-N 352.346 2.284 0 1 FEAF Nc1cc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2cn1 587259023 CQTAICRHALJINN-ZDUSSCGKSA-N 354.414 2.247 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)CCC2=O)N1 587761850 QMDHRYHTXPFBDB-FVMDXXJSSA-N 369.234 2.487 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN[C@@H](C(=O)O)[C@H]1C3 586989183 AIXNUUVDUSWVQI-SZZPBAKOSA-N 372.380 2.464 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1nc(Br)cnc1N)[C@@H](C2)C3=O 587416917 GEZVIJFOYYCHBG-RTHLEPHNSA-N 362.183 2.319 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1SCC(=O)O)[C@@H](C2)C3=O 587453935 VIRDSSOQVBELSW-GTNSWQLSSA-N 374.418 2.403 0 1 FEAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587971158 VDCKNUQIRBZLFN-FPFOFBBKSA-N 361.098 2.102 0 1 FEAF C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1)C(=O)OC(C)(C)C 13657467 UDKXYQUKCAJUOY-NSHDSACASA-N 358.398 2.122 0 3 FEAF N[C@H]1CCN2c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3C=CC[C@H]12 113154605 KZNQXATUOHSRHR-JKSUJKDBSA-N 369.396 2.497 0 1 FEAF NS(=O)(=O)c1cc(Cl)c(Oc2cccc(N3CCNCC3)c2)s1 118342037 NMVRNTDIYHLLGU-UHFFFAOYSA-N 373.887 2.251 0 1 FEAF Cc1c(N2CC[C@@H]([C@@H](C)N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3646667 BNDYLFXLDDCBDO-DGCLKSJQSA-N 373.428 2.496 0 1 FEAF CCSc1cc(=O)c2c(O)cc(O)c([C@@H]3CCN(C)C[C@H]3O)c2o1 58608540 MXQMYWXBECXGHZ-NOZJJQNGSA-N 351.424 2.096 0 1 FEAF O=C(O)CCCC=CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C=C[C@@H](O)CCCCCO 2356304668 XQXUYZDBZCLAQO-QTMHVTGLSA-N 370.486 2.015 0 1 FEAF Cc1nc([C@@H]2CCCN(C(=O)c3cc(-c4ccc(C)o4)n[nH]3)C2)cc(=O)[nH]1 23337860 VLAGCMGLLMSQKC-CYBMUJFWSA-N 367.409 2.390 0 1 FEAF C[C@@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(Cl)cc2)C1=O 36382393 RDZQBJBGVDGOQY-LBPRGKRZSA-N 373.844 2.314 0 3 FEAF COc1cc2cc(CCCOC(=O)CCC(=O)O)oc(=O)c2cc1OC 36388717 RWPQGDRKJVGFFT-UHFFFAOYSA-N 364.350 2.151 0 3 FEAF O=C(N[C@@H]1CNCCC[C@H]1O)c1ccc(OCc2ccc(F)cc2)cc1 15672011 ZLSCFMVMILXQQM-RTBURBONSA-N 358.413 2.247 0 1 FEAF biogenic COc1ccc(CC2=[N+](C)CCc3cc4c(cc32)OCO4)c(C(=O)O)c1O 33832248 SXLFERPVSBEKKI-UHFFFAOYSA-O 370.381 2.058 0 1 FEAF biogenic,in-vitro COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccc(O)cc5c4CCN3C[C@H]2CC[C@H]1O 14589906 XKJJSWXADRRQKQ-OSTKYOLVSA-N 370.449 2.353 0 1 FEAF biogenic CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCC3CC3)ncnc21 82221841 CMFIWXXKBVOBMH-UHFFFAOYSA-N 354.414 2.353 0 1 FEAF O[C@@](Cn1cncn1)(Cn1nnc2ccc(F)cc21)c1ccc(F)cc1F 49808198 VTMCRSGRBIWXOS-KRWDZBQOSA-N 374.326 2.028 0 1 FEAF O=C1N[C@H](c2ccccn2)CC[C@@H]1C(=O)N[C@@H]1CCOc2ccccc21 618013198 FPRDRBFOPHGHNN-INMHGKMJSA-N 351.406 2.289 0 1 FEAF Cc1cc(-c2nc3ncnc(N)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124196 JFXPELVHQIIUOF-UHFFFAOYSA-N 372.332 2.172 0 1 FEAF NS(=O)(=O)c1ccc(F)c(-c2nc3c(Br)ccnc3[nH]2)c1 587142268 QNHXDTJFINHSJD-UHFFFAOYSA-N 371.191 2.174 0 1 FEAF O=C1NC(=O)C2(CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)N1 587523828 IDFGFGJJYMUOPO-UHFFFAOYSA-N 354.406 2.422 0 1 FEAF COc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(N)c1Br 587367299 VTEFXVQVOCGFCB-UHFFFAOYSA-N 363.171 2.456 0 1 FEAF CC(C)[C@@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 165973890 RSMNRCBFRQQEGJ-GOSISDBHSA-N 368.437 2.376 0 1 FEAF COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NC[C@H]2CCCO2)cc1 1381064 MAUPNTYWFNJPFR-NVXWUHKLSA-N 359.378 2.482 0 3 FEAF NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N12 4176367 HDRBWCRNQYRTJM-HNNXBMFYSA-N 350.403 2.236 0 3 FEAF OC[C@@H]1[C@H](O)C[C@H](NCc2ccc(F)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 2356288764 KNQIJSUWMBVVED-FUMNGEBKSA-N 371.456 2.183 0 1 FEAF O[C@]1(C(F)(F)F)C[C@](O)(C(F)(F)F)N2NC(c3ccccc3)=CC2=N1 104008188 MHFRIPZLAUONFE-RYUDHWBXSA-N 367.249 2.152 0 3 FEAF O=C(NC[C@H]1NCCc2ccccc21)C(=O)Nc1ccc(Cl)c(F)c1 52913619 REQBBGSBIRNOFT-MRXNPFEDSA-N 361.804 2.421 0 1 FEAF in-vitro O=C1[C@H](O)N=C(c2ccccc2Cl)c2cc(Cl)ccc2N1CCO 29571404 JTNDIFMEKHROLD-INIZCTEOSA-N 365.216 2.488 0 1 FEAF COC[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2C)n1 28524849 CWRCIZJLCAPZMN-LBPRGKRZSA-N 371.416 2.434 0 1 FEAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@@H]1CCOCCCC(=O)O 27870873 BFSACJDXNVNGKW-IGUJIJSUSA-N 356.459 2.321 0 1 FEAF Cc1nccc(C[C@@H]2[C@H](NCc3cccc(Cl)c3)C[C@H](O)[C@H]2CO)n1 2356708953 JFQALEVOTKYULN-OKYOBFRVSA-N 361.873 2.129 0 1 FEAF Cc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1 21289194 COTLDEHUICFEBP-UHFFFAOYSA-N 365.441 2.216 0 1 FEAF COc1cc2c(cc1O)[C@H](c1ccc(OC)c(OC)c1)[C@@H](CO)[C@@H](CO)C2 14435290 KWAWYJQFQMCYSM-ZJTDPSCFSA-N 374.433 2.323 0 1 FEAF biogenic C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCc1ccccc1N 82082986 LNNIQKWAOAXAMP-LLVKDONJSA-N 370.434 2.420 0 1 FEAF C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/[C@H](O)[C@H](C)[C@H](O)C[C@@H]1CC(O)=CC(=O)O1 238753874 DPLVZZAZGYXULT-GEHUXEIASA-N 354.443 2.011 0 1 FEAF COc1cc([C@@H]2C[C@H](O)C[C@H]([C@H](O)Cc3ccc(O)cc3)O2)ccc1O 40873102 UKFYIKOSRJMAAB-ZNWBIBPKSA-N 360.406 2.291 0 1 FEAF biogenic COc1cc(/C=C/c2nc3ccccc3n(CC(=O)O)c2=O)ccc1O 299855679 BFOSJHHYUOYEGL-SOFGYWHQSA-N 352.346 2.366 0 1 FEAF NS(=O)(=O)c1cccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 587093188 YFAYTLUVFSZOQT-UHFFFAOYSA-N 360.317 2.360 0 1 FEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)c(F)cc2[nH]1 586959671 STICRFMVPSBSEW-OAHLLOKOSA-N 353.350 2.310 0 1 FEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 586945625 JQNGINNWKLTRSO-UHFFFAOYSA-N 367.358 2.018 0 1 FEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc2ncccc12 169299750 BOLBRZWHNIBFRJ-PRBODJJNSA-N 373.412 2.226 0 1 FEAF O=c1n(CCCCNC[C@@H]2CCc3ccccc3O2)c(O)c2n1CCCC2 169725347 TUCNIAHIRFQJSH-KRWDZBQOSA-N 371.481 2.455 0 1 FEAF C=CC(=O)Nc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1 1857552026 QJKKKFYLHKLADL-UHFFFAOYSA-N 372.388 2.254 0 1 FEAF C[C@@]12CC[C@@H]3[C@](C)(CO)[C@H](O)CC[C@@]3(C)[C@H]1C[C@@H](C1=CCOC1=O)O2 1857581703 QTYVPMSAPQBXMM-VNFRBCGJSA-N 350.455 2.203 0 1 FEAF O=C(NC[C@@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)c1cccnc1 2356301063 SMTMZFXWVSZEGZ-MRXNPFEDSA-N 352.369 2.413 0 1 FEAF O=C(CCn1c(=O)[nH]c2ccsc2c1=O)Nc1ccc(F)c(F)c1 2461874 IRJFAALAXSAYQH-UHFFFAOYSA-N 351.334 2.058 0 3 FEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CC=C(c2ccccc2)CC1 2940252 BTXJCYPAPYUGFZ-KJWXAFIESA-N 362.429 2.109 0 1 FEAF Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCOCC2)cc1 58590577 BWYFHSOMGYSIKJ-SFHVURJKSA-N 353.401 2.282 0 1 FEAF CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2[C@@H]1O)OCO4)OCO3 59066845 PDFKSGBOVFZOGL-FQEVSTJZSA-N 369.373 2.048 0 1 FEAF in-vitro CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)[C@H]1O 29477394 QRMYFVCKXAQEDN-COXXTLHVSA-N 372.417 2.418 0 1 FEAF COc1cc([C@@H](N)c2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC 64361552 GCDRFLKFYBYDQC-MRXNPFEDSA-N 369.425 2.177 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C=C3OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@H]1C 2356627990 CWQFFFQIMPZPEO-ZRKCWDNISA-N 362.422 2.163 0 1 FEAF CCCOc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O 29487765 YDMGWZYTSBFWKN-UHFFFAOYSA-N 370.430 2.202 0 1 FEAF Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@H]1c1ccccc1 117866741 RJXIQUMBMLJTTJ-CVEARBPZSA-N 362.368 2.489 0 1 FEAF CC=C1CCN2CC[C@@]34c5ccccc5N[C@@]23C[C@H]1[C@]4(CO)C(=O)OC 2356788574 XIILJJFJGOTIAO-DBOLQNLKSA-N 354.450 2.274 0 1 FEAF Cc1ccc2nnn(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)c2c1 49808452 MNCDZMUQJSWFFC-GOSISDBHSA-N 370.363 2.197 0 1 FEAF COc1cc(/C=C/C(=O)NCCc2cc(OC)c(O)c(OC)c2)ccc1O 137471338 BDRTZXBHPMDADX-FNORWQNLSA-N 373.405 2.496 0 1 FEAF COC[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)C1=NCC(C)(C)CN12 45386725 DTHRKQDXISJPAB-AWEZNQCLSA-N 355.438 2.379 0 1 FEAF COC[C@H]1O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 49785849 XMBMJXJVRHQYLU-KKOKHZNYSA-N 367.616 2.262 0 1 FEAF Cc1ccncc1-n1ncc2c(=O)[nH]c([C@@H]3CC[C@H]3c3ncccn3)nc21 145066505 QKQITTYGLPXNKK-CHWSQXEVSA-N 359.393 2.263 0 1 FEAF C[C@@H]1[C@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@H](C(O)O)[C@@H](C)[C@@H]1C 261515185 DCVIOAHIQDCAHO-LYAHYLARSA-N 364.438 2.257 0 1 FEAF in-man COC(=O)[C@]1(c2cc3ccccc3[nH]2)C[C@H]2CN[C@H]1[C@H]1OC(C)(C)O[C@H]21 299848168 JHVNRJMXZHAOAP-WAAFDHCGSA-N 356.422 2.091 0 1 FEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)cnc2[nH]1 586958327 IKYPVSJDPNLCGX-CQSZACIVSA-N 352.803 2.080 0 1 FEAF COC(=O)c1ccc2c(c1)NC(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 587399856 KMXCEGZXPSKCLQ-IBGZPJMESA-N 352.346 2.177 0 1 FEAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)NC1CC1 587861689 BQWSBWGCBXWPHI-UHFFFAOYSA-N 353.300 2.496 0 1 FEAF O=C(O)c1cccc2nc(-c3nccnc3I)[nH]c12 587186274 GRUCXRSQSWBCNH-UHFFFAOYSA-N 366.118 2.323 0 1 FEAF CC1=C(c2ccc3nc(CSC(C)(C)C(=O)O)[nH]c3c2)NNC(=O)C1 586960703 ZBICDHPNKFRQMS-UHFFFAOYSA-N 360.439 2.415 0 1 FEAF CCOC(=O)c1sc2c(c1C)C(=O)N/C(=C\SCCC(=O)O)N2 958054819 CMYOWHUJRKUNSM-SOFGYWHQSA-N 356.425 2.395 0 1 FEAF O=C(O)CCNC(=O)CC[C@]1(c2ccccc2)NCCc2ccc(O)cc21 963352133 JMERVGWORXVDAR-OAQYLSRUSA-N 368.433 2.153 0 1 FEAF N[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1C1CC1 5932814 UQIZXARYWNEIEE-XJKSGUPXSA-N 371.412 2.347 0 1 FEAF Cc1nonc1CN1C(=O)CC[C@@H]1CCNCCOc1ccc(F)cc1 12452608 BRLSNVLVSNPWRL-OAHLLOKOSA-N 362.405 2.067 0 1 FEAF C/C=C1/CO[C@@H](O)[C@]2(C(=O)OC)[C@H]1CC1=NCCc3c1n2c1ccccc31 14719739 VERVUAYOVAQZHF-LQBGZTMDSA-N 366.417 2.170 0 1 FEAF C[C@]12Nc3ccccc3C(=O)N1Cc1cnnn1-c1cc3c(cc12)OCO3 206036924 GEEAORRSDMQQNB-IBGZPJMESA-N 361.361 2.250 0 3 FEAF CCN(CC)C(=O)[C@@H]1CCC[C@H](NCc2cccnc2)CN(C)C(=O)C1 2356299784 OIBDOBXATVZHBB-MSOLQXFVSA-N 360.502 2.057 0 1 FEAF CC(=O)N[C@@H]1CC(=O)[C@]2(CC(=O)O[C@@H]2C=C(C)CCC=C(C)C)C[C@@H]1O 2356426742 IFURIYNUZYASFB-YNVMFWSZSA-N 363.454 2.210 0 1 FEAF C[C@H]1C=C[C@H]2[C@H]3C=C[C@@H]4C[C@H](C)CC[C@H]4[C@]3(C)C(=O)[C@]23C(=O)NC(=O)[C@@]13O 2356875321 ZOSRQAKCEVCQIS-LVOUEOONSA-N 369.461 2.010 0 1 FEAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 82207761 TYKANTMROQEWMF-KROLFNNXSA-N 366.502 2.159 0 1 FEAF C[C@H](Oc1ccc([S@](C)=O)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 148616151 OEZIOTVGUGZTPR-ZUDWEXRJSA-N 351.468 2.360 0 1 FEAF COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 95894665 MGHMIPQLSFYHQM-QKNQBKEWSA-N 352.434 2.009 0 1 FEAF COc1cc(C=O)ccc1OC(=O)COC(=O)/C=C/c1ccc(O)cc1 473089133 KLRRQKYPYGJMPK-WEVVVXLNSA-N 356.330 2.375 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1cccc(S(=O)(=O)N(C)C)c1)[C@@H](C2)C3=O 587447750 FIAQQEAFULKDRY-HNAYVOBHSA-N 373.430 2.434 0 1 FEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 586957907 FNQWZSTWPGAUAW-AWEZNQCLSA-N 370.793 2.219 0 1 FEAF COC(=O)c1cc(Br)c2[nH]c(C3(O)CCOCC3)nc2c1 586913477 LSLMKDTZQZVOOE-UHFFFAOYSA-N 355.188 2.110 0 1 FEAF C/C=C1/CN2CCc3c4n(c5ccccc35)[C@](CO)(C(=O)OC)[C@H]1C[C@@H]42 14660020 CQQSJVSJIQKHST-CEXDTFNFSA-N 352.434 2.381 0 1 FEAF Cn1cc(-c2cc3c(-c4ccnc(C5CCNCC5)n4)n[nH]c3cn2)cn1 205289035 CDRIATLSWATULL-UHFFFAOYSA-N 360.425 2.282 0 1 FEAF O=C(NCc1cc(=O)n2c(c1C1CC1)SC[C@H]2C(=O)O)c1ccccc1 71315874 KHQCMXPBIZKHHO-AWEZNQCLSA-N 370.430 2.387 0 1 FEAF FC(F)(F)c1nc(NC[C@H]2CCCO2)c2nnn(C[C@H]3CCCO3)c2n1 84712298 GJWZHONWDHHAIK-NXEZZACHSA-N 372.351 2.010 0 1 FEAF COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1O 84671348 UPDFSBOXUUODBW-UHFFFAOYSA-N 358.354 2.069 0 1 FEAF CCOC(=O)CN1CCN(c2ncc(C)c(NCc3ccccc3)n2)CC1 82203400 GPJFVPMCNWZBGI-UHFFFAOYSA-N 369.469 2.082 0 1 FEAF O=C1N(Cc2ccccc2)c2ccc(F)cc2[C@]12Cn1nncc1CO2 473091873 ZMCZZMQZYAFEAJ-LJQANCHMSA-N 350.353 2.390 0 1 FEAF COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H](C)O)[nH]c3c2)cc1 586889760 GWTPESUXZATHLL-LLVKDONJSA-N 361.423 2.296 0 1 FEAF NC(=O)[C@@H]1Nc2ccccc2C(=O)[C@@]12c1c(F)cccc1C[C@@H]1CCCN12 963109686 PWFHOJGFDHIVTJ-LTBCBRHQSA-N 365.408 2.204 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H]([C@@H](C)N)C3)c(F)c21 3790467 NNKUFWFIUGLYIV-NXEZZACHSA-N 365.380 2.171 0 1 FEAF COC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCC3)cc21 4965753 NUZGKBPMHCDOFQ-UHFFFAOYSA-N 360.410 2.036 0 3 FEAF O=C(NCCCCS(=O)(=O)c1ccccc1)c1ccc2nccn2c1 103241095 ZZNSFVBYBGNFBP-UHFFFAOYSA-N 357.435 2.318 0 1 FEAF COCc1cc(C[C@@H]2CC[C@H](O)[C@H](CNCc3ccccc3F)O2)no1 2356422838 KJZXYZWNDDCXFM-SNRMKQJTSA-N 364.417 2.201 0 1 FEAF CC(C)(C)C(=O)N1CCN2[C@@H](CN(C(=O)c3ccccc3)CC2(C)C)C1 2356303615 ZYLZTMAPUVADLX-QGZVFWFLSA-N 357.498 2.480 0 1 FEAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccnc5ncccc45)C[C@@H]32)n1 116826486 ROYPKHBNXANUAO-YJBOKZPZSA-N 374.448 2.388 0 1 FEAF C[C@H](O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356536141 GDKXZPQRUWPQMV-UJRQCORMSA-N 352.515 2.329 0 1 FEAF CC(=O)O[C@H](CCCCC[C@H](O)[C@@H](O)CCCCCCO)CC(=O)O 2356636952 BCSLIHBDUIHHTK-IKGGRYGDSA-N 362.463 2.008 0 1 FEAF O=c1cc(O)c2ccc3c(c2o1)[C@@H](O)[C@@H](O)C1(O3)C2CC3CC(C2)CC1C3 40973226 RNNPSVHATZSCOW-CKHVJXHSSA-N 370.401 2.480 0 1 FEAF NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1CC[C@H](O)C3 223038648 BRYWNCYUZQAGMJ-FCQWJQKHSA-N 370.493 2.320 0 1 FEAF C[C@H]1Cc2cc(C(=O)c3ccc4c(c3)OCCO4)ccc2N1S(C)(=O)=O 95573380 GGIYUMXDWTWJKY-LBPRGKRZSA-N 373.430 2.399 0 1 FEAF CC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccc(F)cc3)C[C@@H]21 95893748 ACJFIJVGUPSGMQ-IPMKNSEASA-N 354.381 2.161 0 1 FEAF CCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(c23)C1=O 96273417 UCCNPKCKOIQIAD-UHFFFAOYSA-N 354.454 2.019 0 1 FEAF CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@@]2(C)O[C@@H]2C)OC1=O 257487358 MTYSOJAHTIASFA-DUHCACLLSA-N 364.438 2.135 0 1 FEAF endogenous,in-man COC(=O)c1cc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cn1 587216822 NVMIQYWBGNZQPQ-AWEZNQCLSA-N 352.394 2.473 0 1 FEAF C[C@@H]1CN(C2CC2)C[C@]12N[C@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12 962628742 HMHJCJGULPFZBX-PGQWDYDZSA-N 370.371 2.494 0 1 FEAF O=C(NCCCN1CCCCC1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4374242 HWJGAONCJCMRLA-INIZCTEOSA-N 362.449 2.106 0 1 FEAF C[C@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479657 SRJDLWQYOPSOMA-UONOGXRCSA-N 359.426 2.147 0 3 FEAF CCOc1ccc(Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1 4934769 OICZZBKKWWOUQG-UHFFFAOYSA-N 351.410 2.237 0 3 FEAF aggregator COc1ccc2oc(=O)c(S(=O)(=O)Nc3ccc(F)c(N)c3)cc2c1 28379736 YETHLXPTTDPPDF-UHFFFAOYSA-N 364.354 2.324 0 1 FEAF CCS(=O)(=O)c1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC 116342896 HIQGXHBXBQGAQT-UHFFFAOYSA-N 366.443 2.359 0 1 FEAF CN(C)Cc1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CCCCC2)no1 12481707 XWAGKXGMSGLAPM-HOTGVXAUSA-N 362.518 2.343 0 1 FEAF biogenic COc1ccc([C@@]2(C3CCCC3)N=C(N)N(C3CCOCC3)C2=O)cc1 218701425 JKOAQYRBPUOGCN-HXUWFJFHSA-N 357.454 2.417 0 1 FEAF Cc1ccc(-c2nc(C(=O)N(C)CC(=O)OC[C@@H]3CCCN3C)co2)cc1 82074034 CHZVCKFVLFZQQR-INIZCTEOSA-N 371.437 2.359 0 1 FEAF CCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@H](C(C)C)N2 82224191 AMQBEUOHUIOYJE-MRXNPFEDSA-N 372.469 2.491 0 1 FEAF C[C@]1([C@@H]2C[C@H](c3ccoc3)OC2=O)C[C@H]2OC(=O)C3=CCC[C@@](O)(O1)[C@]32C 238784579 YEXRBYBPNHPJRD-LPHWDNJQSA-N 374.389 2.403 0 1 FEAF N[C@@H]1N=CNc2c(CN3C[C@H](CCCc4ccccc4)[C@@H](O)C3)c[nH]c21 253640103 VHJIRTUSMSLFBE-RIFZZMRRSA-N 353.470 2.241 0 1 FEAF O=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cccnc1 473083999 FBNXNBJGECCWOQ-UHFFFAOYSA-N 350.378 2.287 0 1 FEAF COc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)[C@H]2c1ccccc1 299831143 XYMNXAJTXYLPPF-IBGZPJMESA-N 367.401 2.459 0 1 FEAF CCOC(=O)C1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2N)CC1 299852093 NHCINILOKMEFAP-UHFFFAOYSA-N 356.426 2.178 0 1 FEAF N[C@H](Cc1cccc(Br)c1)c1nc2c(O)nc(S)nc2[nH]1 586984849 VNDHROPLYRCCQJ-MRVPVSSYSA-N 366.244 2.352 0 1 FEAF COc1cccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 586955619 QGGDTFJKVNSXNL-UHFFFAOYSA-N 372.450 2.138 0 1 FEAF COc1cc(CCc2ccc3nc(N)nc(N)c3n2)cc(OC)c1OC 1772604062 CFXFPWKYGAJLPM-UHFFFAOYSA-N 355.398 2.000 0 1 FEAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@H]2[C@H](O)/C=C/C(=O)O1 5849124 ZZWKZQDOSJAGGF-VRSYWUPDSA-N 365.470 2.075 0 1 FEAF NCCCNCCCCNCCCN1C(=O)c2cccc3cccc1c23 1857536754 PAVBIDUMVFRILD-UHFFFAOYSA-N 354.498 2.498 0 1 FEAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccno4)c(=O)n1c23 1857542071 XYBHCPNXCFLWEB-SECBINFHSA-N 357.341 2.271 0 1 FEAF O=C(NCc1ccc(-c2noc(C3CCCCC3)n2)cc1)[C@H]1NCC[C@@H]1O 58494289 SZASSBIBHPNVMC-IRXDYDNUSA-N 370.453 2.123 0 1 FEAF CCOC(=O)[C@@H](C)Sc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1 104107814 NLDJIFYZTREOHA-SECBINFHSA-N 362.386 2.243 0 3 FEAF CC(C)S(=O)(=O)NC[C@@H]1CC(c2ccc(N3CCCC3)cc2)=NO1 103248004 HDDVTEFQKYUVJK-INIZCTEOSA-N 351.472 2.108 0 1 FEAF CC(C)CC(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)CN1CCCCC1 25969738 PWJBLHDWOGSHTN-IRXDYDNUSA-N 366.502 2.400 0 1 FEAF COC(=O)[C@H](C[C@@H](OC)c1c(OC)cc(O)c2c(=O)cc(C)oc12)OC 2356577356 BKVHVYLMRZGKDR-KGLIPLIRSA-N 366.366 2.081 0 1 FEAF COc1ccc(CCNC(=O)c2c(C)n(O)c3ccccc3[n+]2=O)cc1 49066502 JJKITHPRMYURAT-UHFFFAOYSA-O 354.386 2.083 0 1 FEAF CNc1nc(NCCCN2CCCC2=O)nc2cc(OC)c(OC)cc12 82137853 CIYQGWVZANSURA-UHFFFAOYSA-N 359.430 2.113 0 1 FEAF CC1(C)C[C@H](C(N)=O)N(C(=O)c2ccc(C3CC3)c(OCC3CC3)n2)C1 146286966 RETHWCMGLIJVRD-MRXNPFEDSA-N 357.454 2.474 0 1 FEAF Cc1ccc(OCC(=O)O)c2c1[C@H](C)c1cc3c(O)nc(O)nc3nc1-2 587553665 CXGUNLHADRSRRF-MRVPVSSYSA-N 353.334 2.340 0 1 FEAF N[C@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1ccc(Br)cc1 586996743 JYXLNBFUWZLQTO-MRVPVSSYSA-N 366.244 2.352 0 1 FEAF COc1cc2c3c(c1)O[C@](CO)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587454857 YZEQMUNACYLYSC-VBKZILBWSA-N 354.358 2.102 0 1 FEAF CCOC(=O)CSc1nc2sc3c(c2c(=O)n1N)[C@H](C)CCC3 958059116 FNVVDBAVQLAKPR-MRVPVSSYSA-N 353.469 2.267 0 1 FEAF COC(=O)[C@@]1(CC(=O)c2ccnn2C)c2ccc(F)cc2C[C@@H]2CCCN21 963094995 BWXJCGDTASGFJZ-MGPUTAFESA-N 371.412 2.221 0 1 FEAF CCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@]23C=C[C@H]1O3 5408466 OFEIMXRKQMBMPZ-VMUDFCTBSA-N 351.761 2.329 0 1 FEAF CN1[C@H]2CC[C@@H]1CCN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C)C2 13650314 CZCIVPXIPPLIFB-NEPJUHHUSA-N 359.401 2.049 0 1 FEAF O=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1cccc(Cl)c1 13763545 DVKQEXDLGAQOLQ-UHFFFAOYSA-N 350.783 2.498 0 1 FEAF O=C(C[C@H]1CNC(=O)c2cc(-c3cn[nH]c3)cn21)NCc1cccc(F)c1 169332466 MFMLSRTXWSRZJT-INIZCTEOSA-N 367.384 2.008 0 1 FEAF O=C1CCc2cc(/C=C/C(=O)N3CC[C@@H](Oc4cccnc4)C3)cnc2N1 169707518 IUDCXSXORCOVKT-ZNNBYXKUSA-N 364.405 2.054 0 1 FEAF C=c1[nH][nH]c(=O)/c1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2864896 IMWNNTDQVMEOES-WQRHYEAKSA-N 362.820 2.448 0 1 FEAF CCN(CC)CCNC(=O)Cn1nc(C)c2sc3ccccc3c2c1=O 6798979 GOWJUEBWKMXYOF-UHFFFAOYSA-N 372.494 2.378 0 1 FEAF CC(C)[C@@H]1C=C[C@](C)(O)CC[C@H](O)[C@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 2356421235 ZXUDZQNLOBXDTI-AQSUADJNSA-N 352.471 2.494 0 1 FEAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1)c1ccccc1 2356298733 XZSBEWDFTRKEFZ-QRVBRYPASA-N 359.539 2.176 0 1 FEAF Cc1c(OCc2ccccn2)ccc2c(=O)nc(N3CCOCC3)oc12 64448468 FDRZCPOXPZQZQP-UHFFFAOYSA-N 353.378 2.307 0 1 FEAF O=C(Nc1cc(CO)ccc1N1CCCCC1)c1cnn2cccnc12 113654375 MXNMTBQJCNFDNU-UHFFFAOYSA-N 351.410 2.464 0 1 FEAF CC(=CCc1c(O)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1O)CO2)CO 2356482246 JLXNQYUNQWGLQD-CQSZACIVSA-N 372.373 2.349 0 1 FEAF CC(=O)O[C@H]1C=CCC[C@@H](O)[C@H](CCC[C@@H](C)OC(C)=O)OC(=O)[C@@H]1C 2356496754 ZIOYEJIHNQOIKS-POOHYDRCSA-N 370.442 2.299 0 1 FEAF CC=C1CN2CC[C@H]1[C@]1(C(=O)OC)C(=O)[C@]3(C=Nc4ccccc43)C[C@@H]21 2356560397 YKPZGONKWNPTTK-DETPAEQWSA-N 350.418 2.423 0 1 FEAF CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4[C@H](O)CN(C2=O)[C@@H]13 2356694159 WPAFASNFOAYXNJ-QIAQUHGRSA-N 368.433 2.273 0 1 FEAF O=C(NC[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O)C1CC1 2356747391 PIQYSXXCIWLFLF-LMMKCTJWSA-N 374.412 2.458 0 1 FEAF COC(=O)c1ccccc1OCC(=O)N1CCN(c2ccccc2F)CC1 7096733 URKYUQLBEVGEMO-UHFFFAOYSA-N 372.396 2.340 0 1 FEAF biogenic O=C1C[C@H](OCc2cn(-c3cccc4ccccc34)nn2)[C@H]2CO[C@@H]1O2 1911573422 ZNHCGPKINGAWPU-IPMKNSEASA-N 351.362 2.020 0 1 FEAF CC1=CCc2c(cc(O)c3c2O[C@@H](c2ccc(O)c(O)c2)[C@H](O)C3=O)OC1 15113579 GAIGVUUMNWDLLV-MOPGFXCFSA-N 370.357 2.362 0 1 FEAF biogenic COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCc4ccco4)CO[C@H]23)cc1 15709212 SQMHTEDCPFUQSJ-BSDSXHPESA-N 374.393 2.161 0 1 FEAF biogenic C[C@@H]1C(=O)C[C@@]2(C)[C@H](CC[C@H](O)[C@@]2(C)O)[C@@]12C[C@H](c1ccoc1)OC2=O 85690230 GWCNXMJAAJOWLR-LHCIFCQBSA-N 362.422 2.391 0 1 FEAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)CO 82209272 JJIBTNFXXNRHAW-RJBQXXTOSA-N 366.502 2.016 0 1 FEAF Nc1nc(Nc2cccc(S(N)(=O)=O)c2)sc1C(=O)c1ccccc1 95920833 HEKMYKTWCKGDFA-UHFFFAOYSA-N 374.447 2.347 0 1 FEAF in-vitro CC[C@@]1(O)C[C@@H]2[C@H]3C(C(=O)OC)=C4Nc5ccccc5[C@]45CCN([C@H]25)[C@H]31 140527158 SLUFFIKFMLYKDM-DLXYEMQASA-N 352.434 2.024 0 1 FEAF O=C(O)c1ccc2nc(-c3nccnc3I)[nH]c2c1 587186833 WHMBTWAGAISOHY-UHFFFAOYSA-N 366.118 2.323 0 1 FEAF Nc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C(F)(F)F)c1 587095486 GPOZXHGXDABNIR-UHFFFAOYSA-N 356.329 2.478 0 1 FEAF CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](C(C)(C)C)[C@H]1CCCO 12482595 KZJGOLMVXNTDDK-RVKKMQEKSA-N 355.475 2.173 0 3 FEAF O=[S@](Cc1ccccc1N1CCOCC1)c1nccn1-c1ccccn1 13746271 HSFJYWJTQZKKPT-SANMLTNESA-N 368.462 2.412 0 1 FEAF O[C@@H]1[C@@H](NCc2ccc(Cl)c(Cl)c2)[C@H]2CO[C@@H](O2)[C@@H]1n1ccnc1 2356297728 XUWFHTIYVJOKGG-JKJDWNRSSA-N 370.236 2.005 0 1 FEAF CCO[P@]1(=O)OC(C)=c2sc(Br)cc2=C1C(=O)OC 64453908 PTBBKGFCWDJUNQ-SFHVURJKSA-N 367.157 2.180 0 1 FEAF CN1[C@H](c2cn(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O 49109368 IDMBXGIIJWWJSX-SFHVURJKSA-N 356.403 2.449 0 1 FEAF CC[C@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 82207905 CGMDDICJGCXNJG-HNNXBMFYSA-N 357.458 2.115 0 1 FEAF C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(Cl)c(OC)c2)C1 621485876 QVKICEGUICVEHH-GFCCVEGCSA-N 372.874 2.264 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 586903556 QBXDNBAAMPWPPR-DZGCQCFKSA-N 357.435 2.382 0 1 FEAF COC(=O)[C@]1(c2c[nH]c3ncccc23)CC(=O)c2cc(C)cc(N)c2O1 587395724 GTKMVKSCUJUVHV-LJQANCHMSA-N 351.362 2.487 0 1 FEAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1C(=O)COCC1=O 587623381 RNQLNHNGGMMJOJ-UHFFFAOYSA-N 363.171 2.005 0 1 FEAF CC1=C([C@]2(C)NCCc3c2c(C(C)C)nn3C)[C@H](C)n2ncnc2N1C 962919475 KSCFMJCYVZPBOH-DJJJIMSYSA-N 355.490 2.481 0 1 FEAF Cc1cc(-c2cn([C@@H]3O[C@H](CO)C[C@H]3O)c3ncnc(N)c23)ccc1Cl 1857558664 VFRVAVCXKZMCAT-UCMVZMLTSA-N 374.828 2.283 0 1 FEAF CS(=O)(=O)c1ccc2nc(NC(=O)NCc3cccnc3)sc2c1 28864081 FWDBQASAYPFFOM-UHFFFAOYSA-N 362.436 2.417 0 1 FEAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cnnc5ccccc45)C[C@@H]3C2)n1 116826794 DLJWHPNJVKLNBP-HZPDHXFCSA-N 374.448 2.245 0 1 FEAF CN1CCN(C(=O)c2ccc(-n3sc4ccccc4c3=O)cc2)CC1 64732298 AKGYWGNYGVVPGN-UHFFFAOYSA-N 353.447 2.440 0 1 FEAF CC=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@@H](O)[C@](C)(O)C(=O)O 2356853719 RISIMRWMWMZZPW-NRGXPHCBSA-N 370.486 2.036 0 1 FEAF Cn1cc(Cl)c(C(=O)N2CCN(CCc3ccccc3F)CC2)n1 139742888 XGPBFCMJXWDHHW-UHFFFAOYSA-N 350.825 2.213 0 1 FEAF O=C(O)/C=C\c1nc2c(C(=O)Nc3ccccc3)n3c(c2c(=O)[nH]1)CCC3 45285610 OECDJTZEEDKWGV-HJWRWDBZSA-N 364.361 2.021 0 1 FEAF Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1 96175583 VHGUGHVMQLBNIJ-UHFFFAOYSA-N 374.408 2.374 0 1 FEAF COc1ccc(C2(NC(=O)[C@@H]3NC(=O)[C@H]4CCCC[C@H]4N3)CCCC2)cc1 618014526 WAGLEKRWDMAQNK-KSZLIROESA-N 371.481 2.185 0 1 FEAF CN(Cc1cccn2c(=O)cc(N3CCOCC3)nc12)c1ccccc1 473130128 KDOWMXAXPMJSEH-UHFFFAOYSA-N 350.422 2.168 0 1 FEAF O=C(NCc1ccccn1)[C@H]1CCO[C@H]2CCN(Cc3ccoc3)C[C@H]21 299843508 SOGYVGLKNTVOBM-FHWLQOOXSA-N 355.438 2.218 0 1 FEAF COc1c(-c2cc(=O)n3ncc(-c4ccccn4)c3[nH]2)ccc2nn[nH]c12 653670651 DSKVGEMICDBZJK-UHFFFAOYSA-N 359.349 2.032 0 1 FEAF COc1ccc2c(c1)CC[C@](N)(c1nc3nc(Br)c[nH]c-3n1)C2 587246306 GARKRHIULAVFSC-MRXNPFEDSA-N 374.242 2.419 0 1 FEAF COc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cn1 587126691 FOVDIMFYZIBZLL-UHFFFAOYSA-N 358.301 2.322 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccccc1OCC(=O)O)NCC2 962928592 SEJCIJHQUINYPE-IBGZPJMESA-N 354.406 2.087 0 1 FEAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(CCOc3cc4c(cc32)OCO4)N1 962899002 PVQDOPVDKBCHEW-IFXJQAMLSA-N 357.337 2.179 0 1 FEAF O=C(O)CCCCNC(=O)N1CCC2(CC1)CCN(c1ccncc1)C2 13440564 WOOYUAHTTFUJAM-UHFFFAOYSA-N 360.458 2.338 0 1 FEAF CS(=O)(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 164824334 UVNUPCUZVSDOQX-UHFFFAOYSA-N 354.395 2.387 0 1 FEAF O=C(CCO)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 167621836 GQYUXKDHSSZFBX-UHFFFAOYSA-N 360.845 2.264 0 1 FEAF CCn1cc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)cn1 205252272 BVEIZVVTRHJPMZ-UHFFFAOYSA-N 374.452 2.313 0 1 FEAF O[C@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccccn1 205224993 QJSIDAFXZGMWSO-CQSZACIVSA-N 353.279 2.026 0 1 FEAF CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(OS(N)(=O)=O)cc1 1857572287 CSXZXOBNKKZQOB-SFHVURJKSA-N 373.434 2.275 0 1 FEAF Cc1[nH]c2cc(C3CCN(C(=O)c4ccccn4)CC3)nn2c(=O)c1C 1857614038 GZEXHHHKFMIKPB-UHFFFAOYSA-N 351.410 2.054 0 1 FEAF C[C@@H](c1cc(OC(=O)N2CCOCC2)c2ncccc2c1)N1CCOCC1 1857621184 CZTROFGRSNHPQM-HNNXBMFYSA-N 371.437 2.459 0 1 FEAF CC(=O)Oc1ccc(-c2nnc(-c3ccc(OC(C)=O)cc3)nn2)cc1 1646752 TYKODHCBDTYDJS-UHFFFAOYSA-N 350.334 2.451 0 1 FEAF CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc2c(c1)OCO2 2356318562 BAPCOLVFJMGORB-SZMVWBNQSA-N 373.497 2.197 0 1 FEAF COCCN1C(=O)[C@H]2C[C@@H](CN2Cc2nccs2)Oc2ccccc21 2356422051 CXWOJZJNWKFWDV-DZGCQCFKSA-N 359.451 2.158 0 1 FEAF CC[C@@H]1CCCCN1CCCNC(=O)c1ccc2c(c1)NC(=O)CN2C 6920018 OPRZASGJANZQMR-MRXNPFEDSA-N 358.486 2.459 0 3 FEAF COc1ccccc1N1CCN(c2cc(CCO)nc(SC)n2)CC1 28653429 GPWOJNGOIUNWBL-UHFFFAOYSA-N 360.483 2.069 0 1 FEAF COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314 112992397 ZBAQMFALLMLPSC-HLRQEUIKSA-N 369.461 2.219 0 1 FEAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2O[C@H]2C[C@H]1NS(=O)(=O)c1ccccc1 100825513 HWZODOOORTWWEA-CHTQWPCASA-N 365.451 2.322 0 1 FEAF C[C@@H]1N[C@H]([C@@H]2CC[C@H](CCCCC[C@H](O)CC(=O)O)[C@@H](O)C2)CC[C@H]1O 2356309820 QRBRUTOUZJIBOC-DSEYRMEUSA-N 371.518 2.051 0 1 FEAF O=C(O)[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CO)Cc1ccc2c(c1)OCO2 2356677084 GQXLKZICLHKEQT-CABCVRRESA-N 372.373 2.239 0 1 FEAF CC(C)NC(=O)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc21 2356814655 CKBQOFGKIQWNJA-QYZOEREBSA-N 356.514 2.467 0 1 FEAF COc1cc(O)c(C(C)=O)c(C[C@@H]2Cc3cc(O)cc(O)c3C(=O)O2)c1 15214971 HXXSTISDELKIRF-AWEZNQCLSA-N 358.346 2.339 0 1 FEAF biogenic Nc1nc(C2CC2)nc2c1nnn2CC1(c2ccccc2)CCOCC1 84690967 ATIIVXYXMDMAAU-UHFFFAOYSA-N 350.426 2.429 0 1 FEAF NC(=O)Nc1sc(-c2cccs2)cc1C(=O)N[C@H]1CCCNC1 42888636 RUGWGTBYKSIEGK-VIFPVBQESA-N 350.469 2.449 0 1 FEAF COC(=O)C1=C(OC)C(=O)O[C@H]1c1c(Cl)c2ccccc2oc1=O 1911584821 QZXYPOGRSYFCTA-LBPRGKRZSA-N 350.710 2.118 0 1 FEAF Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(C2CCCCC2)CC1 146740493 XPKUFZAKPWQMOR-UHFFFAOYSA-N 356.470 2.409 0 1 FEAF COC(=O)/C=C1/OC(=O)c2c1ccc1c(CCN(C)C)cc(OC)c(O)c21 238739784 VAPWHRQXZJKUHO-GXDHUFHOSA-N 371.389 2.342 0 1 FEAF COC(=O)[C@@H](CNCCc1ccc(OC)c(OC)c1)[C@H](O)c1ccccc1 98082736 JHAWMFYGVUBJJC-FXAWDEMLSA-N 373.449 2.359 0 1 FEAF CC(C)[C@H]1C=C[C@@](C)(O)CC[C@@H](O)[C@@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 299809961 ZXUDZQNLOBXDTI-JECYIRHJSA-N 352.471 2.494 0 1 FEAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(N)=O 141737923 WMPFHESYRCKVAE-YNNPMVKQSA-N 353.503 2.444 0 1 FEAF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccnc(Cl)c3[nH]2)cc1 586931818 LAXIIZHLQWSZCD-UHFFFAOYSA-N 366.830 2.441 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 587231288 NKDSCTXWIFLOHW-NXEZZACHSA-N 371.363 2.360 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C)c1SCC(=O)O)[C@@H](C2)C3=O 587453932 VIRDSSOQVBELSW-APPDUMDISA-N 374.418 2.403 0 1 FEAF Nc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cn1 587019246 IPBBGKOBWZJYJM-UHFFFAOYSA-N 366.406 2.545 0 1 FEAF COc1cccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12 587203816 UPQTUIKANQKGCU-AWEZNQCLSA-N 369.377 2.494 0 1 FEAF O=C(O)c1cccc2c1CCN[C@@]21CCC[C@@H](c2cnc(O)nc2O)C1 963128552 BOUBHMQGFCDDII-NSPYISDASA-N 355.394 2.285 0 1 FEAF COc1cc(-c2[nH]ncc2CN(C)Cc2nonc2C)cc(OC)c1OC 11663936 FGLFSBBMVSWLCR-UHFFFAOYSA-N 373.413 2.426 0 3 FEAF COc1ccc(CNCc2ccccn2)cc1OC[C@@H](O)CN(C)C(C)C 12308326 IBGGUHWUIYSTCW-IBGZPJMESA-N 373.497 2.460 0 1 FEAF CC(=O)Oc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)COC2=O)cc1 13818520 FXVJCDBNHDKTKV-UHFFFAOYSA-N 372.398 2.483 0 1 FEAF Cc1c(C(=O)N2CCC3(CC2)CC3)cnn1-c1nc(O)c2c(n1)CCC2 1857620155 YNLXSTRUMFCODL-UHFFFAOYSA-N 353.426 2.181 0 1 FEAF CCn1cc(C(=O)NC[C@@H]2CCCO2)c2c3ccccc3n(C)c2c1=O 2466300 JDRSWEVLDMUVTA-ZDUSSCGKSA-N 353.422 2.422 0 1 FEAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(C2CC2)n1 2356289316 TVPGDCXMOCSFCS-BURNTYAHSA-N 367.493 2.353 0 1 FEAF O=C(O)CN(c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1)C1CC1 64549279 AQOPZPARBCPUJW-JTQLQIEISA-N 351.794 2.232 0 1 FEAF CC(C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccccc1 28957947 SZMRXVNPHWFFKY-KRWDZBQOSA-N 364.467 2.322 0 1 FEAF O=C(O)CC[C@H](N[P@](=O)(O)OCCCCc1ccccc1)C(=O)O 28876381 QQDXXPMQJXSLMC-ZDUSSCGKSA-N 359.315 2.034 0 1 FEAF in-vitro CN1C(=O)[C@H]2C[C@@H](CN2C(=O)NCc2ccccc2)Oc2ccccc21 2356665557 MPDQJWPYJCWDDD-DOTOQJQBSA-N 351.406 2.395 0 1 FEAF S=C(NCc1ccco1)N1CCO[C@H](COc2cncc(Cl)c2)C1 40430955 SJUXRFRAZPVSKS-HNNXBMFYSA-N 367.858 2.482 0 1 FEAF Nc1nccc(-c2cc3c([nH]2)[C@@H](CCOCc2ccccc2)CNC3=O)n1 40974970 QUGLBFISIMJWOG-AWEZNQCLSA-N 363.421 2.488 0 1 FEAF O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CCC1 95894840 UIWMPEMTOGIUIE-QHAWAJNXSA-N 365.477 2.327 0 1 FEAF O=C1COc2cc3[nH]c(Cc4cc(F)cc5c4OCOC5)nc3cc2N1 587171621 QKZZSFOJSJTEDG-UHFFFAOYSA-N 355.325 2.490 0 1 FEAF Cc1ccc2c(ccc3nc(CS(=O)(=O)Cc4ccnn4C)[nH]c32)n1 586923588 RDQJOGZDNLDEFH-UHFFFAOYSA-N 355.423 2.268 0 1 FEAF CCOc1ccccc1[C@](N)(c1nc2cnnc(O)c2[nH]1)C(F)(F)F 587092960 PKRUZIXHJWAOQF-AWEZNQCLSA-N 353.304 2.222 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1ccc(NC(=N)N)cc1)NCC2 962932499 QHRCKBIYILNGGH-HXUWFJFHSA-N 351.454 2.103 0 1 FEAF CCNC(=S)Nc1cc(-n2cnc(CN3CCCCCC3)c2)ncn1 1772634249 DKSKAYOHKYFDKB-UHFFFAOYSA-N 359.503 2.345 0 1 FEAF CC[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1 5846847 PJDBOWKFHAMMHJ-NSHDSACASA-N 359.401 2.362 0 1 FEAF CC1=C2[C@H](OC(=O)C(C)C)[C@]3(C)[C@H](C)CCC[C@@]3(O)C[C@@]2(O)OC1=O 2356378020 SWBUICHZUKBNOP-LSZLRVSCSA-N 352.427 2.077 0 1 FEAF Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(F)c1)C1=C(O)CCCC1=N2 100703272 GFMCHXUZFIRBRE-CQSZACIVSA-N 355.369 2.437 0 1 FEAF O=C(c1ccc(C(F)(F)F)cc1)N1CCOC[C@@H](Oc2cnccn2)C1 2356287592 MEEHWPYQKSAIMR-AWEZNQCLSA-N 367.327 2.415 0 1 FEAF N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1ccccc1F 28108854 JCRFZKKDIWRAQQ-RTBURBONSA-N 355.457 2.129 0 1 FEAF Cc1ccc2c(c1)c(Cc1ccccc1)cn2[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 66101325 QPTFUIVFPTXHCH-PLACYPQZSA-N 353.418 2.152 0 1 FEAF COc1cc(C[C@H](C)[C@H](C)C[C@]2([C@H](O)C(C)=O)C=CC(=O)O2)ccc1O 2356588122 JGRCQBGEMXBGIJ-BGXQRSTCSA-N 362.422 2.407 0 1 FEAF O=C1OCC([C@@H](O)c2ccc3c(c2)OCO3)=C1Cc1ccc2c(c1)OCO2 2356618211 JHYMQYZTKHVFGS-IBGZPJMESA-N 368.341 2.274 0 1 FEAF O=CN1c2ccccc2[C@]23CCN4CCC[C@@]5(CC[C@@]12[C@H](C(=O)O)C5)[C@H]43 2356655122 YJKNDUBIWGQYFI-JMMIECQRSA-N 352.434 2.392 0 1 FEAF O=C(NCc1ccccc1)[C@H]1CCCN1S(=O)(=O)CCc1ccccc1 29222203 QZHYAWYAXWGLLJ-LJQANCHMSA-N 372.490 2.340 0 1 FEAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cnccn3)n2n1 40900971 MSTZCDRNMZURSD-UHFFFAOYSA-N 360.381 2.390 0 1 FEAF CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(O)c3)c2c1 40874358 IGLPLJCGSQJIRX-UHFFFAOYSA-N 357.391 2.186 0 1 FEAF O=C(O[C@H]1CCN2C[C@H]3C[C@H](C(=O)N4C=CCC[C@@H]34)[C@@H]2C1)c1ccc[nH]1 238743161 MYPCMXFVOYUANL-RCMKLKEOSA-N 355.438 2.159 0 1 FEAF COc1ccc(OC[C@@H]2CN(C3CCCC3)S(=O)(=O)CCO2)cc1 96021255 BWDSXXZYCBWCOP-KRWDZBQOSA-N 355.456 2.047 0 3 FEAF Cn1c(N2CCN3CCc4ccccc4[C@H]3C2)nc(-c2ccncc2)cc1=O 653676028 NZVZBMYKJMWKOV-HXUWFJFHSA-N 373.460 2.262 0 1 FEAF COC(=O)c1ccnc2[nH]c(Cn3nc(C)c(Br)c3C)nc12 586979224 UDNXPCCJCPLLFW-UHFFFAOYSA-N 364.203 2.369 0 1 FEAF O=C(O)CCc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O 587947411 WTJJZBLMGXQAQQ-UHFFFAOYSA-N 357.341 2.426 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CN2CCN(C)CC2)N1 587764287 DBWUZMVAFANAHS-BZNIZROVSA-N 356.283 2.411 0 1 FEAF O=S(=O)(Nc1ncc(Cl)cc1O)c1cncc(Br)c1 222997784 TWEBMAGYCBXWJM-UHFFFAOYSA-N 364.608 2.399 0 1 FEAF COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C[C@H](OC(C)=O)O[C@@H]1O2 5166687 FTYMXWPNEIXDMV-ZVSKPCGTSA-N 372.329 2.042 0 1 FEAF biogenic CCCOc1ccc2c(c1)C(=O)c1ccc(C(=O)NC)cc1S2(=O)=O 13606010 QOWWTSOEQYCKIQ-UHFFFAOYSA-N 359.403 2.212 0 1 FEAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@@H](C)[C@@H](C)O 13885310 NDZDJUSQBJHCBF-NEPJUHHUSA-N 357.882 2.142 0 1 FEAF Cc1c[nH]c(CNC(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1 15936406 CXCJFPZKTGOFCW-AWEZNQCLSA-N 360.845 2.427 0 3 FEAF O=C(NCC1(O)CC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166599733 XAYZMQUIZQMPHP-UHFFFAOYSA-N 351.406 2.489 0 1 FEAF O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1 1857592365 WTSHMANJKBYANF-IBGZPJMESA-N 370.424 2.002 0 1 FEAF CCCCC(=O)N[C@H]1CC(C(=O)O)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O 1857770073 WKAMKSHRZQBORZ-LZLYRXPVSA-N 368.474 2.155 0 1 FEAF CCNC(=O)Nc1nc2cc(-c3cncnc3)c(OCCOC)nc2s1 69063223 DFUGRSJYZFEARP-UHFFFAOYSA-N 374.426 2.315 0 1 FEAF COc1ccc(C(=O)N2C[C@@H]3CN(c4nccc(C)n4)C[C@H]3C2)c(OC)c1 116823606 JQNCZQDUHOPZTH-HUUCEWRRSA-N 368.437 2.011 0 1 FEAF Cn1ccnc1CN1CC[C@](C)(O)[C@H](NC(=O)C2CC2)[C@H]1c1ccccc1 2356605048 QCNWFZFUUPDGMP-SBHAEUEKSA-N 368.481 2.013 0 1 FEAF COc1cc2c(cc1O)[C@]1(O)Cc3ccc4c(c3[C@@H]1N(C)CC2)OCO4 36378795 BAKJDMWNQNFENT-VQTJNVASSA-N 355.390 2.102 0 1 FEAF CC(C)(Cc1ccc(O)cc1)NC[C@H](O)c1ccc(O)c2c1OCC(=O)N2 45254956 RTMYEPMSIONNFA-INIZCTEOSA-N 372.421 2.073 0 1 FEAF CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@H]4[C@@H](CC2=O)[C@H](CO[C@@H]4C)[C@H]13 238764033 FMZMLKGLGADCPQ-RFUIAIRRSA-N 368.477 2.235 0 1 FEAF Cc1cc(C)nc(SCC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)n1 95921108 XWPREILQIYDJMT-UHFFFAOYSA-N 371.871 2.369 0 1 FEAF in-vitro O=S1(=O)c2cnccc2O[C@H](COc2ccccc2)CN1CC1CC1 299851613 HGEINIIXUBQNND-INIZCTEOSA-N 360.435 2.322 0 1 FEAF C[C@@](CC(N)=O)(NC(=O)c1cc(OCC(F)F)c(C2CC2)cn1)C1CC1 146271864 WZTXXAFHTBEVGQ-SFHVURJKSA-N 367.396 2.377 0 1 FEAF Cc1nnsc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276230 OBBGKFBXLZXSNJ-UHFFFAOYSA-N 354.185 2.474 0 1 FEAF Cc1c(O)ccc2c1[C@@H](c1cccc(-c3ncon3)c1)N[C@H](C(=O)O)C2 963494154 XTJKEGUAOVDVEP-WMLDXEAASA-N 351.362 2.439 0 1 FEAF Cc1c(O)ccc2c1[C@H](c1cccc(-c3ncon3)c1)N[C@H](C(=O)O)C2 963494155 XTJKEGUAOVDVEP-YOEHRIQHSA-N 351.362 2.439 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@H]1CC[C@@]13COC(=O)C1=CC=C[C@@]32O 169309841 AJTGHNZHSVUIQM-ZWVMISQRSA-N 356.374 2.454 0 1 FEAF CC(C)Oc1ccc(-c2nc(=N)[nH]c(=NCc3ccccc3)[nH]2)c(CO)c1 1857575297 MLZPGMXYJGVWGI-UHFFFAOYSA-N 365.437 2.265 0 1 FEAF Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)NC1CCCC1 16981020 SPLSTEROOWKLSC-UHFFFAOYSA-N 357.458 2.181 0 1 FEAF O=C(CCCNS(=O)(=O)c1cccs1)NCCc1ccccc1 3894731 OELJCAVYYKFWOY-UHFFFAOYSA-N 352.481 2.166 0 3 FEAF COc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)c2ccccn2)C3)cc1 53297000 CGUXAYAMWPHFIE-UHFFFAOYSA-N 363.377 2.222 0 1 FEAF COc1ccccc1N1CCN([C@H]2CC[C@H](N3C(=O)CCC3=O)CC2)CC1 101020528 FQRMBGDWYAVSBX-CALCHBBNSA-N 371.481 2.277 0 1 FEAF C[C@]1(O)CCN(C(=O)C2CCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356288458 DUPPEVSTHSMYPL-WFXMLNOXSA-N 356.466 2.406 0 1 FEAF CC(C)(C)CN1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@H]1COCCN12 2356288933 MXHDXJMUFKFMLZ-SFHVURJKSA-N 372.513 2.335 0 1 FEAF COC(=O)[C@@H]1C[C@@]23CCC(=O)N4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 2356623657 JPHKISFVGIVFBD-CARQKBIPSA-N 352.434 2.457 0 1 FEAF COc1ccc(C=Cc2ccc3c(c2)C(=O)N2CC[C@H](N)[C@@H]2C(=O)N3)cc1 2356851071 QDXPXKLBFDHUCR-PKOBYXMFSA-N 363.417 2.360 0 1 FEAF COc1c(O)cc2c(c1O)C(=O)[C@@H](OC(C)=O)[C@H](c1ccc(O)cc1)O2 899378 SZKFMAOEZUMSRT-FUHWJXTLSA-N 360.318 2.060 0 1 FEAF biogenic CCCSc1ncccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 39263705 KGNNYKHDCZIIPT-UHFFFAOYSA-N 365.480 2.161 0 1 FEAF Cn1ncc2c1CCCN2c1cnc2[nH]cc(C(=O)NC(C)(C)C)c2n1 145158467 QRIASSRYSIATDH-UHFFFAOYSA-N 353.430 2.304 0 1 FEAF CC(C)=CC(=O)O[C@H]1CC[C@]2(O)C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 238772999 ILKRCFPIERWOTH-DXDKRLHISA-N 364.438 2.387 0 1 FEAF C[C@@H]1[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@H](O)C1)O2 238734474 SDWMGUVLMJYDMR-JNJQDWPMSA-N 352.471 2.425 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586901897 IWYYLMMLXZLFNJ-YOEHRIQHSA-N 357.435 2.382 0 1 FEAF COc1ccccc1OCCNCCN1C(=O)CC2(CCCC2)CC1=O 13560155 DPIGTZTZLGWBTO-UHFFFAOYSA-N 360.454 2.373 0 1 FEAF CC1(C)[C@H](C(=O)NN2CCN(c3cnccn3)CC2)[C@H]1c1ccc(F)cc1 1857642330 QPQLSOMRFZEYKS-MSOLQXFVSA-N 369.444 2.209 0 1 FEAF C[C@@H](CCc1ccc2c(c1)OCO2)NC[C@H](O)c1ccc(O)c(C(=O)O)c1 26998169 BQQSUMYMDNUMIW-SJCJKPOMSA-N 373.405 2.463 0 1 FEAF CCC(=O)NC[C@@H]1O[C@H](Cc2cc(COc3ccccc3)on2)CC[C@H]1O 2356308471 VJILIXNQHXNIFU-UHOSZYNNSA-N 374.437 2.231 0 1 FEAF CN(C)CCN(C)C(=O)C[C@@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 74374187 JLRMCPHODXNWGV-KRWDZBQOSA-N 352.866 2.090 0 3 FEAF COc1cc([C@@H]2CNC(=O)N2c2ccn3ccnc3c2)cc2c1OCO2 198380367 CPNWYBFTZVRZOZ-ZDUSSCGKSA-N 352.350 2.343 0 1 FEAF O=C(NC1CCCC1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 195309642 VXVAXTVQJBEBRG-WFXMFSGNSA-N 358.463 2.089 0 1 FEAF Cc1nn(C)c(C)c1Cc1noc(-c2cccnc2OC2CCNCC2)n1 653759968 SRYJVYXELVMPDK-UHFFFAOYSA-N 368.441 2.204 0 1 FEAF CNC(=O)CNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863432 JRNTVUOJVSSRGT-UHFFFAOYSA-N 372.372 2.046 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 587230015 DQGZFBMGTRDAHX-WDEREUQCSA-N 357.414 2.181 0 1 FEAF NC[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337969 QDHWAPFPULCRSN-HKUYNNGSSA-N 359.353 2.453 0 1 FEAF O=C(c1ccccc1)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1 587971266 XRVREGGDZIRRGX-QKDCVEJESA-N 350.330 2.293 0 1 FEAF COc1cc2[nH]c(C(=O)O)c([C@@H]3c4nn(C)cc4CCN3C)c2cc1OC 963954969 NMGNSWCVASUJIA-GOSISDBHSA-N 370.409 2.194 0 1 FEAF C[C@@]1(c2ccc(O)nn2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962705193 UZMMSDYEXFTGEY-XHDPSFHLSA-N 371.290 2.203 0 1 FEAF COc1cc(C(=O)N[C@H](CN)Cc2ccccc2)ccc1-c1cn[nH]c1 1772609185 SJHKIJFJOUJEAT-KRWDZBQOSA-N 350.422 2.385 0 1 FEAF CCNC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 13901552 BPXVCLHEXZBINH-HNNXBMFYSA-N 352.232 2.301 0 1 FEAF Cc1ccc(-c2n[nH]c3cnc(-c4cnn(C)c4)cc23)nc1N1CCNCC1 205485356 RCNDYUJOAQZUNJ-UHFFFAOYSA-N 374.452 2.138 0 1 FEAF O=C(c1cc[nH]n1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)CC1 1857616034 GAEYWYAKLLSDJH-KRWDZBQOSA-N 351.410 2.221 0 1 FEAF Cc1nc(C(=O)Nc2cccc([C@@]3(C(F)F)COCC(N)=N3)c2)c(C)o1 113660755 NSPDTJIIXCMMAO-QGZVFWFLSA-N 364.352 2.392 0 1 FEAF CS(=O)(=O)c1ccc(C2=NN(C(N)=S)[C@H](c3ccccc3)C2)cc1 66251050 QCLMXDMMJFZLEK-INIZCTEOSA-N 359.476 2.485 0 1 FEAF OC[C@H]1C[C@@H](c2cccc(Cc3ccc(C4CC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 35825911 ZXMWWEOFNKCIIA-LILXYRQWSA-N 368.473 2.333 0 1 FEAF CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(C)s1 36383633 JMSMAPVNUUZKDR-ATNYBXOESA-N 368.451 2.223 0 1 FEAF O=C(Nc1cccnn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 38249086 ZYZILSQXANZBSQ-UHFFFAOYSA-N 367.438 2.349 0 1 FEAF COC(=O)[C@H](OC(C)=O)c1ccc(OC)c(I)c1 40584466 DBJDLMAROXECAL-LLVKDONJSA-N 364.135 2.077 0 1 FEAF CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 1772634396 XPKOTKLTCRETEU-OAHLLOKOSA-N 374.824 2.454 0 1 FEAF COc1cc2c(cc1O)[C@H]1c3cc(OC)c(O)cc3C(=O)[C@@H](C2)[C@H]1CO 1857755905 GREPVCBMPSCBED-CFZJUORYSA-N 356.374 2.224 0 1 FEAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCO 4152141 JWTHEEVPUCNCNS-MJGOQNOKSA-N 354.406 2.286 0 1 FEAF C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(F)cc1 4493138 XNBHGVSAMHOXJW-LLVKDONJSA-N 369.352 2.175 0 3 FEAF Cn1nc(C(=O)Nc2ccccn2)c2c1-c1ccccc1S(=O)(=O)C2 6781762 MKUNTWRPAUHZKK-UHFFFAOYSA-N 354.391 2.022 0 1 FEAF O=C(CCn1c(=O)c2cccn2c2cccnc21)NCc1ccccc1F 8588953 WAMLWLJTEAWRFV-UHFFFAOYSA-N 364.380 2.495 0 1 FEAF Cc1nnc(NC(=O)C2=CC3=N[C@H](C4CC4)C[C@@H](C(F)(F)F)N3N2)s1 104008463 MOMSHHWGVGVDQX-WPRPVWTQSA-N 372.376 2.001 0 3 FEAF CC(C)Oc1cc(CN2CCN(CCO)CC2)cc(OC(C)C)c1O 22934184 SNYYZZKZILFUAQ-UHFFFAOYSA-N 352.475 2.077 0 1 FEAF CCc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)cc1 59919765 GLDFECHXTPUOLT-LJQANCHMSA-N 369.465 2.191 0 3 FEAF Cc1cccn2c(CNCCc3ccco3)c(C(=O)N3CCOCC3)nc12 23337442 RCZPSXLZKFODIH-UHFFFAOYSA-N 368.437 2.040 0 3 FEAF C[C@@]12NC(=O)[C@@H](C[C@]13C=Nc1ccccc13)n1c2nc2ccccc2c1=O 2356463993 UGJOAVUFFONAPW-TYCQWZJGSA-N 356.385 2.340 0 1 FEAF C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)CC1CCCC1 61905114 SICHAODUEOECOC-SFHVURJKSA-N 364.467 2.063 0 3 FEAF CC=Cc1occ(C(=O)c2c(OC)cc(O)cc2C(=O)OC)c(=O)c1OC 2356629822 RKPUWEPREOHXHS-UHFFFAOYSA-N 374.345 2.413 0 1 FEAF CC[C@@H]1OC(C)(C)O[C@H]([C@H](C)C(=O)SCCNC(C)=O)[C@@]1(C)OC 2356747124 RTJAGGPOVJJDBN-DPYKFYPSSA-N 361.504 2.354 0 1 FEAF CO[C@H]1Oc2cc(-c3ccc4c(c3)O[C@@H](OC)[C@H]4CO)ccc2[C@H]1CO 14695317 YQAILVMGIKPPTL-OBMJPTGESA-N 358.390 2.235 0 1 FEAF biogenic Cc1nn(C(=O)/C=C/c2cccc(S(N)(=O)=O)c2)c2c1[C@H]1[C@@H](C2)C1(C)C 45337938 PUTFWTSPTVZYFR-WXVPVVBVSA-N 371.462 2.488 0 1 FEAF CN(Cc1ccc2nonc2c1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 82039433 NMKVADJZWJMDGI-UXHICEINSA-N 364.449 2.392 0 1 FEAF COc1ccccc1N1CCN(CCNC(=O)[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 139212301 XQGRZJQQNFCESY-KURKYZTESA-N 355.482 2.146 0 1 FEAF CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 95903338 DGIMEPVAUFODOA-XYJFISCASA-N 364.490 2.007 0 1 FEAF Nc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)n(O)c2ccccc2[n+]1=O 377840458 NXZIGVCELUMGRW-UHFFFAOYSA-O 355.418 2.074 0 1 FEAF CNS(=O)(=O)c1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587447737 FCAHJGXGELPITQ-RDTXWAMCSA-N 359.403 2.092 0 1 FEAF COC(=O)[C@@H]1CNCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587791506 GBFBRCSDNYHZPQ-RVIYUIFMSA-N 371.250 2.100 0 1 FEAF O=S(=O)(NCCc1nc2c(Cl)ccnc2[nH]1)c1ccc(Cl)nc1 586942907 SSEDRHAORMXZTP-UHFFFAOYSA-N 372.237 2.181 0 1 FEAF COc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)c(OC)c1 13603265 QJLCXLDMCNBARJ-UHFFFAOYSA-N 371.437 2.223 0 1 FEAF C[C@H]1CC[C@H]2[C@@H](C=C[C@H](C)[C@]2(C)C(=O)[C@@H]2C(=O)[C@H]([C@@H](C)O)N(C)C2=O)C1 169673053 MQFIBLPYJVBNLZ-BKVMXFNQSA-N 361.482 2.227 0 1 FEAF Cc1cc(C)n2nc(CC(=O)N3C[C@@H](C)n4c3nc3ccccc34)nc2n1 1857559860 CHJKSRSGLBJMRH-CYBMUJFWSA-N 361.409 2.241 0 1 FEAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1C(=O)C[C@@H]1[C@]3(C)CCCC(C)(C)[C@@H]3C[C@H](O)[C@@]21O 2356380302 ZVUXDKNPHFTWRA-JCONGJJESA-N 350.455 2.081 0 1 FEAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@H]1CNC1CCNCC1 2356388132 SOQNDURPZAFEEX-ZVDOUQERSA-N 371.481 2.134 0 1 FEAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3cccc(F)c3)C[C@H](O)[C@H]2CO)n1 2356289142 QPJSGGISRHAMEB-HAGHYFMRSA-N 373.472 2.429 0 1 FEAF O=C(NC1CCCCC1)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OCc1ccccc1 2356859111 SRFFDAGXVOLJMD-AKHDSKFASA-N 360.454 2.370 0 1 FEAF CC(C)[C@H](NC(=O)[C@H](C)N)c1nc(C(=O)NCc2ccccc2)cs1 66075466 RRRIFLBXNFCFQM-WFASDCNBSA-N 360.483 2.234 0 1 FEAF COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)C[C@H](C)O)C=C[C@@]31CCN(C)C2 238762471 MJSGJSLIEXDCKY-DAJCZCSUSA-N 373.449 2.172 0 1 FEAF CC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(C)=O 95895440 KYJOFADOQIGSII-HKBOAZHASA-N 370.424 2.304 0 1 FEAF CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F 95661924 WMSZRGOUYKZYFU-UXHICEINSA-N 354.425 2.387 0 1 FEAF COCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 587755965 CBYKNQSMPBDWEQ-XLKFXECMSA-N 355.211 2.407 0 1 FEAF C/C(N)=C1/C(=O)OC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587746836 IESPUYMTUNYPIK-SXWKDKBMSA-N 355.207 2.107 0 1 FEAF O=C1C[C@H](c2ccco2)[C@@H](n2cncn2)[C@@]2(C1)NCCc1ccc(O)cc12 963339702 AUOKPIRBAXKNJP-AHRSYUTCSA-N 364.405 2.306 0 1 FEAF Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)c2ccoc2CC[C@H]1CC(=O)O 963525204 LPQSVVJOVKHVMI-TVSHIAKJSA-N 371.389 2.173 0 1 FEAF COc1cc(/C=c2\sc3nc(-c4ccncc4C)cn3c2=O)ccc1O 169353882 LLBFVGVUIRTOHO-IUXPMGMMSA-N 365.414 2.388 0 1 FEAF NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)[C@@H]4CCOC4)c3)c2c1 164771323 GSUPEXAFFPLELX-CYBMUJFWSA-N 350.378 2.304 0 1 FEAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCO 4049190 AGKGKBZBVDWXGL-IEBWSBKVSA-N 354.406 2.286 0 1 FEAF C[C@H]1CCCN(S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)C1 103712277 BPBNTXGTKXCWHZ-NWDGAFQWSA-N 366.508 2.491 0 3 FEAF O=C1C[C@H](c2ccccc2)C(=O)N1CN1CCN(C2CCCCC2)CC1 103155094 OEGVZPJAFNZBAK-LJQANCHMSA-N 355.482 2.437 0 1 FEAF COCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCC(OC)CC1 26155524 FVPIXETWLHRAQC-HNNXBMFYSA-N 367.442 2.125 0 1 FEAF COc1cc(O)c2c(c1)OC[C@@]1(Cc3c1cc(OC)c(OC)c3OC)C2=O 2356437434 RWSCIOKDSXDRFY-HXUWFJFHSA-N 372.373 2.496 0 1 FEAF CC(C)CN1C(=S)N(CC2CCCCC2)[C@H]2[C@@H]1[C@@H]1C[C@@H](O)[C@@H]2OC1=O 2356856731 SDBXXEXESKKOIF-QEOTZNIISA-N 366.527 2.169 0 1 FEAF CCN1CCC[C@@H]1CNC(=O)c1c(O)c(Br)cc(O)c1OC 34343086 MRDDDUTZQYNACV-SECBINFHSA-N 373.247 2.083 0 1 FEAF C=C1C[C@H](C[C@]2(C)O[C@@H]2COc2ccc3ccc(=O)oc3c2O)OC1=O 15212364 RYBFLVMGRQCAQI-TVZGQMOCSA-N 358.346 2.297 0 1 FEAF biogenic COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N[C@@H]2CNC(=O)C2CC2)cc1 95872060 ZKXLALQIHNAILA-SFHLNBCPSA-N 366.461 2.305 0 1 FEAF COC[C@@H]1CCCN1c1ccc2c(c1)OCCCN(C1CC1)S2(=O)=O 96019199 FZXJPWJDQAALIN-INIZCTEOSA-N 366.483 2.237 0 3 FEAF Nc1nnc(CCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 95575091 ZAGYRNAJGXPODJ-UHFFFAOYSA-N 360.468 2.328 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@@H](C)C(N)=O)cc1)[C@@H](C2)C3=O 587427603 FASCVDDJHMONRQ-PYFOHURJSA-N 353.374 2.437 0 1 FEAF CCOC(=O)[C@]1(c2ccc(OC)nc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434944 BZXBOSWREUNJIO-JLTOFOAXSA-N 369.373 2.305 0 1 FEAF COc1ccc([C@H](O)[C@H](C)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 587936280 KJBOSESNEZXYLE-MGPLVRAMSA-N 361.423 2.056 0 1 FEAF C[C@]1(O)OC(=O)C(c2ccsc2)=C1c1ccc(S(C)(=O)=O)cc1 13488619 IJCAHTOZDZAWMG-INIZCTEOSA-N 350.417 2.328 0 1 FEAF COc1cc2c(cc1OC)[C@H]1CO[C@@H](C(=O)N3CCCCC3)CN1CC2 169346452 RUGGREQKTHOJEG-VQIMIIECSA-N 360.454 2.014 0 1 FEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CC(n2ncc3ccccc32)C1 1857764738 OQIODMRTQNSVSX-UHFFFAOYSA-N 357.391 2.011 0 1 FEAF C[C@@H]1O[C@]2(C[C@H](O)[C@@H]1C)O[C@@H]([C@H](C)C=CC=CC(=O)O)[C@H](C)[C@H](O)[C@H]2C 2356327690 GYTVZXLCIFKWMV-PZQFXNGHSA-N 368.470 2.354 0 1 FEAF Cn1c(=O)n(C2CCOCC2)c2c3nc(-c4ccn[nH]4)ccc3ncc21 118543137 YHGYJYACXGNKHB-UHFFFAOYSA-N 350.382 2.025 0 1 FEAF COC(=O)[C@H]1C[C@H]2C(Br)=C[C@H]1C(=O)N2Cc1ccccc1 2356723903 WQKDPAPCVFBTSL-DYEKYZERSA-N 350.212 2.485 0 1 FEAF Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CC[C@@H](c4ccccn4)C3)cc21 40861915 UVAPNZZVCCISIM-GFCCVEGCSA-N 364.405 2.208 0 1 FEAF CCCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccco2)c1=O 45339650 BYAALMZFIOWQPF-UHFFFAOYSA-N 354.366 2.121 0 1 FEAF COc1cc2c(cc1OC)[C@H](c1ccc(O)c(O)c1)[C@@H](CO)[C@@H](CO)C2 14435283 HWDQCWAPHWSUDD-AFBRZQFHSA-N 360.406 2.020 0 1 FEAF biogenic Cc1cnn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)n1 143108879 KDOKQHLWOBCKKW-UHFFFAOYSA-N 360.425 2.165 0 1 FEAF CC(C)(O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)OC(=O)N32)cn1 95584724 NYOOPDRPXCXIEU-HOCLYGCPSA-N 356.378 2.055 0 1 FEAF CCNC(=O)N1CCC(Nc2nccc(-c3cnn4ccccc34)n2)CC1 144609805 YSQZMCPNTJZCHY-UHFFFAOYSA-N 365.441 2.397 0 1 FEAF CNS(=O)(=O)c1sccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587408736 IEACYFVCDSDHGW-MRXNPFEDSA-N 366.464 2.427 0 1 FEAF CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2cccc(F)c21 962905304 ZRAACGVOPLEODR-ORAYPTAESA-N 365.401 2.188 0 1 FEAF COc1cc(-c2ccc3c(n2)CN(c2cnn(C)c2)C3=O)cnc1OC 168876489 DAXGYBHUXPFBIX-UHFFFAOYSA-N 351.366 2.055 0 1 FEAF Nc1nc(N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)ncc1F 12203299 IQNODOIIKCNNIV-MRXNPFEDSA-N 356.449 2.331 0 1 FEAF Cn1c(=O)c2[nH]c(CCCC(=O)O)nc2n(Cc2ccccc2)c1=S 12480460 ZXRCYWGXGAMHEI-UHFFFAOYSA-N 358.423 2.248 0 3 FEAF O=C(NCc1ccon1)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12710242 IKYNTGSDCRMNNZ-CQSZACIVSA-N 361.829 2.426 0 3 FEAF COC(=O)CCCn1c(C)cc2cc(=O)cc3c-2c1C(=O)[C@@](C)(OC)O3 200021448 YIALVALATUBJIU-IBGZPJMESA-N 359.378 2.152 0 1 FEAF CCOC(=O)C1=NO[C@](C(=O)Nc2cc(C)cc(C)c2)(C(=O)C2CC2)C1 203474055 VVHNQELELJNVPA-IBGZPJMESA-N 358.394 2.299 0 3 FEAF CC(=O)N1CCc2c(sc(NC(=O)c3cccc(F)c3)c2C(N)=O)C1 4280372 GRALIMXVBGPRRH-UHFFFAOYSA-N 361.398 2.143 0 1 FEAF COc1cc(O)c2c(c1)O[C@@H](C1(O)CCC(OC)(OC)CC1)CC2=O 2356378818 WOMNCEDTLOKTIB-OAHLLOKOSA-N 352.383 2.029 0 1 FEAF COc1cc2c(cc1OC)[C@H]1N(CC2)C(=O)CCC12C(=O)CCCC2=O 8681850 LXJPGUXDFZTECS-LJQANCHMSA-N 357.406 2.232 0 1 FEAF COCC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@@H]1C)OCO3 25988105 YVRMLRKWKYMHJQ-LBPRGKRZSA-N 367.405 2.170 0 1 FEAF CC(=O)NC(=S)NC[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 36187744 VNRVWDFBQJATNK-XGWLTEMNSA-N 356.495 2.139 0 1 FEAF Cc1cc(N)nc(C[C@@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1 73298215 JDRSQGJWTVRNGM-VQIMIIECSA-N 373.932 2.136 0 1 FEAF CCOc1ccc(-n2nc3c(N4CCNCC4)nnc(C)c3c2C)cc1 72108897 JKAOGJXEFQNYHE-UHFFFAOYSA-N 352.442 2.241 0 1 FEAF CC(=O)NCCn1c(-c2cccnc2)nc2c(NCC(C)C)ncnc21 82177926 UDLQENDQWHZXDD-UHFFFAOYSA-N 353.430 2.092 0 1 FEAF NS(=O)(=O)c1ccc(-c2nnc3c4ccccc4c(Cl)nn23)cc1 82060458 JHYBZPKGZBXDCQ-UHFFFAOYSA-N 359.798 2.245 0 1 FEAF Cc1ccc(S(=O)(=O)N2N=Cc3c(Cl)cc(Cl)cc3B2O)cc1 195067515 PRYKURGMYCJLCY-UHFFFAOYSA-N 369.038 2.028 0 1 FEAF c1cc(-c2n[nH]c3cnc([C@H]4CCCO4)cc23)nc(N2CCNCC2)c1 473154818 MBDXCSSBRAZUJO-QGZVFWFLSA-N 350.426 2.281 0 1 FEAF Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c2nc1O 473110526 WQRNWMZRQPJCMQ-IAGOWNOFSA-N 372.469 2.229 0 1 FEAF Cc1[nH]c2cc(F)ccc2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O 587636972 RDQIWFBWDJQNAY-SJORKVTESA-N 371.416 2.110 0 1 FEAF COC(=O)COc1ccc([C@H]2NCCc3nc4ccccn4c32)cc1OC 962998287 UMFDCSFACJOGLV-LJQANCHMSA-N 367.405 2.130 0 1 FEAF CC(C)(O)COCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772630001 XAVILKUOFHCRNJ-UHFFFAOYSA-N 356.426 2.262 0 1 FEAF Cc1ccc(-c2nn(COc3ccc(F)c(C(N)=O)c3F)c(=O)o2)cc1 1857547938 HBKCMVKVFOZSQM-UHFFFAOYSA-N 361.304 2.225 0 1 FEAF CCNc1cccnc1N1CCN(C(=O)c2nc3ccccc3[nH]2)CC1 5883929 KDBNFEINSPZSDH-UHFFFAOYSA-N 350.426 2.352 0 1 FEAF COC(=O)[C@H]1C[C@@]23C=CC(=O)N4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 14827778 AYJNRNWGLVYFEQ-FVXHZLDESA-N 350.418 2.233 0 1 FEAF O[C@@](Cn1cncn1)(Cn1ncc2ccccc21)c1ccc(F)cc1F 28894717 RQULPKODHUBTJA-SFHVURJKSA-N 355.348 2.494 0 1 FEAF CN(C(=O)Cc1ccccc1N)[C@@H](CN1CC[C@H](O)C1)c1ccccc1 33982829 SYMWUCVROYSIKP-ICSRJNTNSA-N 353.466 2.078 0 1 FEAF C=C1C2=C(O[C@H](/C(C)=C/[C@H](C)C[C@@H](C)CC)[C@@H](O)[C@@H]2O)C(=O)N1OC 36375293 KMRRFXCHVAGVTO-DOMFBWDJSA-N 351.443 2.297 0 1 FEAF CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](C(C)C)N2 82206179 BGVDPIONUMVNDW-OAHLLOKOSA-N 358.442 2.188 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CC3)C23CN(C(=O)COC)C3)cc1 95869384 DNRYNPMSMGJEFB-MPTWLCKMSA-N 370.493 2.117 0 1 FEAF C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccc[nH]2)CC1 117375165 RLNVMGITCMKRAG-CYBMUJFWSA-N 352.438 2.295 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@]2(O)C(=O)CC[C@H](C)[C@@]12C 198487376 JRRUBQLITXADFJ-BPEGJAIGSA-N 360.406 2.372 0 1 FEAF COc1ccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc(OC)ccc32)cc1 299820964 FGIFPFSAUIQSTG-IBGZPJMESA-N 367.401 2.459 0 1 FEAF CC(C)N(C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1)C(C)C 473091509 QRKQHSPICZDZIN-BFHYXJOUSA-N 354.476 2.327 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)CCC2=O)N1 587757702 BFGCVEJRZBZPRX-JDNHERCYSA-N 369.234 2.487 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(CCO)c2)N1 587760985 ROYRBCOAUMSINZ-RFAUZJTJSA-N 354.223 2.401 0 1 FEAF COc1ccc(OC)n1-c1nn(-c2ncccn2)cc1Br 587940579 QFLNUZWUCDLRHW-UHFFFAOYSA-N 350.176 2.233 0 1 FEAF O=C1C[C@H](c2ccco2)[C@H](n2cncn2)[C@]2(C1)NCCc1ccc(O)cc12 963339703 AUOKPIRBAXKNJP-LSTHTHJFSA-N 364.405 2.306 0 1 FEAF CN1CCc2cnn(C)c2[C@@H]1c1ccc(OCCO)cc1Br 963956572 YPJUQPHAJMZBIT-INIZCTEOSA-N 366.259 2.131 0 1 FEAF CCO[C@@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CCN42)[C@H]6[C@H]53 2356522857 WHEDIELHNDPRJQ-GRHZGAQUSA-N 364.445 2.414 0 1 FEAF CC=C(C)C(=O)O[C@@H]1[C@@H]2[C@H](C[C@H](C)[C@@H]3[C@H](O)CC(=O)[C@@]31C)OC(=O)[C@H]2C 2356759072 GLHMGBSDKSSHQL-ZXZMIJGYSA-N 364.438 2.038 0 1 FEAF COc1ccc(-c2[nH]ncc2CN(C)CCCN2CCOCC2)cc1F 13596990 AYSJPNNXGLJTQV-UHFFFAOYSA-N 362.449 2.379 0 3 FEAF O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)NC1CCCCC1 103757962 OTOSDLPAXIHCCI-UHFFFAOYSA-N 359.451 2.479 0 3 FEAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(CCO)no1 3590214 ZMOQHVOARGFUOE-UHFFFAOYSA-N 357.414 2.028 0 1 FEAF Cc1c(N2CC[C@H](C)[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3981630 OPGBFXUKEQRDKW-MGPLVRAMSA-N 373.428 2.496 0 1 FEAF COC1=CC[C@]23CCN(C)[C@@]24C[C@@H](O[C@@]14O)c1ccc(OC)c(OC)c13 2356354732 AKMIHNAUTMLDGR-FCDRMGDPSA-N 359.422 2.114 0 1 FEAF CCC(=O)N1[C@@H](C(=O)NCc2ccccc2)CSC12CCN(C)CC2 6943432 CGRGIEGBFYZXAD-MRXNPFEDSA-N 361.511 2.079 0 1 FEAF N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N2CCCCC2)c1 27203305 FMSWILUZZROFKR-UHFFFAOYSA-N 354.838 2.150 0 1 FEAF CN(C(=O)CCCOc1ccc2c(c1)C(=O)NCC(=O)N2)C1CCCCC1 26828987 JZLMMGYBWYMLOL-UHFFFAOYSA-N 373.453 2.319 0 1 FEAF O=C(O)C[C@H]1CCN(Cc2cnc[nH]2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356494000 OFSQPFVDPIYVIQ-KGLIPLIRSA-N 353.426 2.442 0 1 FEAF CCOC(=O)[C@H]1[C@H]2C[C@H]3c4cc5c(cc4CCN3C[C@H]2CC[C@H]1O)OCO5 28765247 LAEXASCTDHUYIT-SDKGRYJGSA-N 373.449 2.285 0 1 FEAF CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCCN1CCCC1 5434166 MCOYRWQGQFUUFZ-IRXDYDNUSA-N 352.523 2.055 0 1 FEAF biogenic C/C=C/Cc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O 1911582827 SDZLXWXQFRHLMT-SNAWJCMRSA-N 367.497 2.263 0 1 FEAF Nc1cccc2c1nc(-c1ccc(P(=O)(O)O)o1)n2Cc1ccoc1 45258139 IWAQNESRKRXIAN-UHFFFAOYSA-N 359.278 2.323 0 1 FEAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCN)C2)co1 82069487 IYYXLCAWNRZKHW-CQSZACIVSA-N 357.410 2.004 0 1 FEAF CC(C)[C@H]1C[C@@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40933265 IEKXWDNCZBHNEV-TZMCWYRMSA-N 352.822 2.293 0 1 FEAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCOCC2)no1 143690999 ZFZKVSPFSZCHLC-ZDUSSCGKSA-N 364.446 2.217 0 1 FEAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3[C@H](O)[C@H]12 197346135 HBPNZWWAQVKYPJ-MDLURYLBSA-N 368.433 2.150 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)CC3CC3)N(C(C)=O)[C@H]2CO)cc1 95894943 QHKKTSVDENPXAS-AVPVVXLRSA-N 356.466 2.311 0 1 FEAF CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccc(Cl)cc1 96021229 DKOZYIPBQSZWRD-ZDUSSCGKSA-N 363.888 2.150 0 3 FEAF COCOCCOc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1 653806226 DYIGIMLEBWSGDU-IBGZPJMESA-N 358.442 2.211 0 1 FEAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1[C@H](O)C(=O)O)[C@@H](C2)C3=O 587455251 KZLHXMGEFAQHLK-GZRFBZBPSA-N 354.358 2.476 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn(C)c1 587869087 AUXNPXGJYSTEBO-UHFFFAOYSA-N 351.288 2.395 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc3c(c1)CCC(=O)N3)O2 587399389 IRJHWMHFLWKNMT-FQEVSTJZSA-N 366.373 2.407 0 1 FEAF COC(=O)c1cccc(OCC(O)COc2cccc(C(=O)OC)c2)c1 2178320049 BYAPARZTBFMTMS-UHFFFAOYSA-N 360.362 2.079 0 1 FEAF O=[S@@](CCNC[C@@H](O)COc1ccccc1)c1ccc(Cl)cc1 169345715 HTMNZNNFZCIVGO-CMJOXMDJSA-N 353.871 2.477 0 1 FEAF COc1ccc2c(c1)OC[C@]1(O)c3ccc4c(c3O[C@@H]21)C[C@@H](O)C(C)(C)O4 15204412 QOXFATMGLMTFHP-LMNJBCLMSA-N 370.401 2.483 0 1 FEAF biogenic COc1cc2c(cc1OC)CN(CCNCC(=O)Nc1ccccc1)CC2 169702800 NPJAHLIJIURCIF-UHFFFAOYSA-N 369.465 2.290 0 1 FEAF CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 100638248 AVMYCGJNQUPEPM-TWFHAPMSSA-N 354.450 2.193 0 1 FEAF CCCN(CCC)CCNc1n[n+]([O-])c2ccc(C(C)(C)C)cc2[n+]1[O-] 101103097 LLEITOMSBCBHBA-UHFFFAOYSA-N 361.490 2.333 0 1 FEAF C[C@@H]1CCCN(C[C@@H](O)CNS(=O)(=O)c2cccc3ccccc23)C1 28892078 AOHWSQYKOBBNCW-WBVHZDCISA-N 362.495 2.211 0 1 FEAF CN1C(=O)[C@@H]2C[C@]3(C)c4ccccc4N[C@@H]3N2C(=O)[C@H]1Cc1ccccc1 2356517982 AORAAVFCUMFJME-GMQQQROESA-N 361.445 2.380 0 1 FEAF COc1ccccc1N1CCN(CCNC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 34136229 XQGRZJQQNFCESY-RCCFBDPRSA-N 355.482 2.146 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CCC(=O)[C@@H](C)[C@]12C 86010766 WKMBTXJFBQEZHO-KZHCENTASA-N 362.422 2.452 0 1 FEAF in-man CC[C@@H]1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](O)[C@@H]1C 195086760 KRERBZWVTNUEMD-RSAASHCRSA-N 352.822 2.293 0 1 FEAF COc1ccc(CN2CN3Cc4cc(F)ccc4[C@@H]3CS2(=O)=O)cc1 96020145 VYYMBQFIKVTWEA-SFHVURJKSA-N 362.426 2.494 0 3 FEAF COC(=O)[C@@]1(CO)C[C@]23CCCN4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 238764646 DMLOCDNIVNQNJZ-AMGKQAFBSA-N 368.477 2.292 0 1 FEAF COc1cccc(CC(=N)NC(=O)c2cccnc2OC2CCNCC2)c1 263620477 GRWVIKXCGQEZMV-UHFFFAOYSA-N 368.437 2.171 0 1 FEAF in-vitro Cc1ccc(C(=O)Cc2cc3c(O)nc(O)nc3nc2CCC(=O)O)s1 587563545 JMXUYIVURDQQOM-UHFFFAOYSA-N 373.390 2.249 0 1 FEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(Cl)cnc(Cl)c2[nH]1 587204342 QCSWFWVNLBBULF-MRVPVSSYSA-N 358.229 2.344 0 1 FEAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586962150 OUHYTASNWNCXLY-SSDOTTSWSA-N 356.411 2.379 0 1 FEAF O=S(=O)(NNc1ncnc2sc3c(c12)CCCC3)c1ccccn1 1772611074 AXLONLATWZSHHG-UHFFFAOYSA-N 361.452 2.271 0 1 FEAF CC(=O)c1ccc(OCCCCN2CCN(c3ncccn3)CC2)cc1O 1772631672 DBTKGPKFKUWLBE-UHFFFAOYSA-N 370.453 2.366 0 1 FEAF CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)CC[C@@H](C)N2 169719745 LLSBPSHHRFDKRE-JYMLRBTQSA-N 371.485 2.495 0 1 FEAF CC=C(CO)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(O)C[C@@H]2C1 2356403829 VRERLMSQAWCFOO-MXDPXFNBSA-N 364.438 2.245 0 1 FEAF CC1(C)C[C@H](C(=O)NCCCN2C(=O)c3ccccc3C2=O)C(C)(C)N1O 27103479 OPLZUNCOMIBOLV-OAHLLOKOSA-N 373.453 2.057 0 1 FEAF COc1cc(C)c2nc3[nH]nc(C)c3c(NC[C@@H]3CN(C)CCO3)c2c1 73167788 WRGKRLZCNHYJOI-CQSZACIVSA-N 355.442 2.479 0 1 FEAF C[C@@H]1SC(c2ccccc2O)=N[C@@H]1[C@@H]1SC[C@@](C)(C(=O)O)N1C 14884534 NOEXPDVJQLSPPC-AVGRGUAGSA-N 352.481 2.491 0 1 FEAF biogenic CCCC[C@]1(CO)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H](O5)[C@@H]1O 40368843 BYBAPAFOQSJYFM-LXWCWMBHSA-N 373.493 2.201 0 1 FEAF O=c1cc(N2CCNCC2)nc2n(Cc3ccccc3)c3ccccc3n12 95586223 LESFLRQAWSSKNB-UHFFFAOYSA-N 359.433 2.107 0 1 FEAF CCOc1n[nH]c(-c2nc3cc(C(=O)OC)ncc3[nH]2)c1Br 586979522 DYJQWFAIRHFZMZ-UHFFFAOYSA-N 366.175 2.296 0 1 FEAF CC(=O)N[C@@H](Cc1nc2ncc[nH]c-2n1)c1ccc(Br)cc1 586985000 KFOGDTHXEWNDAL-LBPRGKRZSA-N 360.215 2.487 0 1 FEAF O=C(NCCc1nc2c(S)nc(S)nc2[nH]1)OCc1ccccc1 587228873 ZTGFPMAJDFVCBP-UHFFFAOYSA-N 361.452 2.399 0 1 FEAF O=C1COC[C@@]2(C1)N[C@@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963204088 VTKUDAAJTWXDBZ-QMTHXVAHSA-N 363.719 2.142 0 1 FEAF COC(=O)[C@H](C)[C@@]1(c2cnccn2)NCCc2c(OC)ccc(Cl)c21 963269913 MNKDRQYSNQJZJF-VOJFVSQTSA-N 361.829 2.337 0 1 FEAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1CCC(=O)NC1 201101679 JWQAZKIUJNSNNA-IFCGJNOESA-N 356.466 2.359 0 1 FEAF C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)cc3n21 3777766 XQUDASONXZVNEJ-VIFPVBQESA-N 363.414 2.215 0 1 FEAF COC(=O)c1cccc(NC(=O)CSc2nc3cccnc3n2C)c1 4853012 LSBATUITNJQOCI-UHFFFAOYSA-N 356.407 2.486 0 3 FEAF Cc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)O)nnc23)cc1 4911134 SAFNAZOLYUEGLY-UHFFFAOYSA-N 362.389 2.418 0 3 FEAF CCCCN1C[C@H]2CC(NC(=O)c3nn(C)c4ccccc34)C[C@H](C1)N2C 100831437 VNJFPIYCOWKOMT-IAGOWNOFSA-N 369.513 2.250 0 1 FEAF C[C@H](O)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 29551955 HTRSFGIHCRMLEE-INIZCTEOSA-N 354.454 2.286 0 1 FEAF CC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)nn(CCO)c1=O 29209251 JHMZMPUHESBPEC-UHFFFAOYSA-N 366.373 2.183 0 1 FEAF CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)C4=Nc5ccccc5[C@@]4(O)CCN(C2=O)[C@@H]13 2356464301 FCRGUGMZWUACLY-RDPWBBNVSA-N 368.433 2.170 0 1 FEAF CC(C)C(=O)c1c(O)c2c(c3c1OC(C)(C)[C@H](O)C3)O[C@H](C(C)(C)O)C2 2356526706 ICOCIMFFQBVFCG-OLZOCXBDSA-N 364.438 2.380 0 1 FEAF COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@@H]2c1ccc(Cl)cc1 73141960 RQOBYFAPGBKGME-MRXNPFEDSA-N 352.843 2.500 0 1 FEAF O=C(NCCO)c1nc(C(=O)c2ccc(Cl)cc2)c2ccccc2n1 36389433 IUIRRBQTCSIBAK-UHFFFAOYSA-N 355.781 2.236 0 3 FEAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(N)ccnc4[nH]3)CC2)cc1 586954835 PUGQHQMPEXCDDF-UHFFFAOYSA-N 371.466 2.417 0 1 FEAF COc1cc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc(O)c1OC 963507734 JGFYFPREHWXDOI-YVEFUNNKSA-N 359.378 2.112 0 1 FEAF Nc1noc2ccc(-c3cnc4ccc(NCCn5cccn5)nn34)cc12 1772647301 WVSJWGBALFGLDV-UHFFFAOYSA-N 360.381 2.428 0 1 FEAF CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(/C=C/F)c3c2F)CC1 13643312 AYLBCUKRYLCKCA-NSCUHMNNSA-N 367.327 2.127 0 1 FEAF C[C@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@@H]2CCN(C)C[C@H]21 169373662 BVICSNQLCGMLKS-XUJVJEKNSA-N 362.499 2.053 0 1 FEAF Cc1ccc(S(=O)(=O)n2c(O)c3n(c2=O)-c2ccccc2C3)cc1C 169692731 ZNVUIJCZYIRVLR-UHFFFAOYSA-N 356.403 2.103 0 1 FEAF O=C(CCc1cnc(-n2cc(O)cn2)s1)Nc1ccccc1C(=O)O 28863450 CBQCLKNVINQXIV-UHFFFAOYSA-N 358.379 2.304 0 1 FEAF Nc1nc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)c2nc[nH]c2n1 29127916 JWVMREBPZBOKLZ-UHFFFAOYSA-N 374.408 2.382 0 1 FEAF CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC(C)C 20531879 ZDOLMRZJLBNTIR-UHFFFAOYSA-N 352.431 2.013 0 1 FEAF COCCNC(=O)[C@]1(C)CCCN(Cc2cc(-c3ccccc3)nn2C)C1 61907798 ZQPIPDXYEBYMBG-OAQYLSRUSA-N 370.497 2.452 0 3 FEAF CCCNC(=O)[C@]1(C)CCCN(Cc2noc(-c3c(C)noc3C)n2)C1 61930302 GRQLWAWXKWPDQE-GOSISDBHSA-N 361.446 2.470 0 3 FEAF CCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1OC 34343055 CNYFTYULLUBARK-AWEZNQCLSA-N 350.459 2.489 0 1 FEAF COC[C@@H]1CC[C@@H](C)N1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1 40863251 VFZQDRIKYWPIDY-DOMZBBRYSA-N 358.446 2.241 0 1 FEAF CCCC[C@]1(CO)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H](O5)[C@@H]1O 40368842 BYBAPAFOQSJYFM-KPNWSXIASA-N 373.493 2.201 0 1 FEAF COC(=O)c1nc(Sc2cccc(C)c2)n(COCCOC(C)=O)n1 49036813 SAZAGXURPFDJDS-UHFFFAOYSA-N 365.411 2.062 0 1 FEAF C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)[nH]1 147086594 QAKYIKOVPVVHEH-CYBMUJFWSA-N 370.478 2.496 0 1 FEAF C/C=C(\C)C(=O)O[C@@H]1[C@]2(C)[C@H](CC[C@H](O)[C@@H]2C)C[C@]23OC(=O)[C@@H](C)[C@@]12O3 257421591 FYNKIYMILKEXOG-YYQLHAGQSA-N 364.438 2.340 0 1 FEAF endogenous,in-man C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 587226374 ZBKIHZNRKSXXMT-CYBMUJFWSA-N 366.421 2.348 0 1 FEAF CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCO3)(C(O)O)CC2=O 587494425 YKLJURVMHXNLCU-HXUWFJFHSA-N 372.373 2.245 0 1 FEAF CCN1C(=O)[C@]2(NCCc3ccc(C(=O)N(C)C)cc32)c2cc(F)ccc21 962939491 ZEKILWDDLRSUAF-OAQYLSRUSA-N 367.424 2.283 0 1 FEAF O=C(NCc1ccco1)C1CCN(c2nnc(-n3cccc3)s2)CC1 5143849 TYVHPTFIBPJIBJ-UHFFFAOYSA-N 357.439 2.455 0 3 FEAF Cc1cc2c(c(-c3cnccn3)c1)O[C@H](CNC(=O)[C@H]1CCCN(C)C1)C2 12130866 ULOLRRVXTRJZTG-RDJZCZTQSA-N 366.465 2.214 0 1 FEAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C\c2cccc(C(=O)O)c2)C(=O)O1 169345964 HNXGPIHBAOCZTI-XOVNIXPASA-N 362.378 2.036 0 1 FEAF NC1=N[C@]23CC[C@H](NC(=O)c4cccc(Cl)c4)C[C@@H]2[C@@H](COC3)S1 205775427 SLYXQQNGVHPIRQ-CFAJVAMVSA-N 365.886 2.438 0 1 FEAF in-vitro Oc1nc2cnc(-c3cnc4ccc(F)cn34)nc2n1[C@H]1CC[C@H](O)CC1 1857565887 GLRJBPGOOHUNQE-HAQNSBGRSA-N 368.372 2.462 0 1 FEAF CCCCOc1nc(N)c2[nH]c(=O)n(CCCCC3CCNCC3)c2n1 117279953 IUPLKUVOUGTMRW-UHFFFAOYSA-N 362.478 2.051 0 1 FEAF CS(=O)(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1 58538084 RFLDYHWWEJNDMO-MUKKUYKPSA-N 373.478 2.497 0 1 FEAF Cc1nc(SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)sc1C 26720243 MJIRXYYFVFWJBD-SVARNEQVSA-N 354.453 2.006 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 2356427390 YGLWOPSYLJYZQF-OZNVVAOVSA-N 362.422 2.163 0 1 FEAF COc1c2c3c(c(OC)c1OC)-c1ccccc1[C@H]1C(=O)C(=O)N(CC2)[C@@H]31 2356528976 OMCGRFPKCCDQBN-CVEARBPZSA-N 365.385 2.485 0 1 FEAF CC[C@@H]1CN2CC[C@@]34c5ccccc5-n5c3c(cc(C(N)=O)c5=O)[C@H]1C[C@@H]24 2356546180 CDEKPRALPONZLA-SKBGDPFCSA-N 361.445 2.137 0 1 FEAF CO[C@@H]1CC(=O)[C@@H]2[C@H](O)CCC3(Oc4cccc5cccc(c45)O3)[C@H]2[C@@H]1O 2356596319 GBCWVCFIPWNQDZ-BNCZOOBYSA-N 370.401 2.043 0 1 FEAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@H]1C[C@@H](O)C1 1911575957 VASPNVMBWNYUAH-DTORHVGOSA-N 366.303 2.310 0 1 FEAF Cc1cc(C)nc(NC(=S)N2CCN(c3cnc4nccn4c3)CC2)c1 198797003 DHLKSIFJDSXEKL-UHFFFAOYSA-N 367.482 2.260 0 1 FEAF Nn1c(S)nnc1-c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 43080090 IXHRIGBQKDLYRA-UHFFFAOYSA-N 366.855 2.434 0 1 FEAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cncnc3)n2n1 40836314 DZLFFFXZJWAYDX-UHFFFAOYSA-N 360.381 2.390 0 1 FEAF COc1ccc(F)c(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)CO3)c1 149402858 XONPOKBMDJXSSK-FQEVSTJZSA-N 370.380 2.451 0 1 FEAF C/C(=C\CC/C(=C\CO)CO)CC/C=C(\C)C[C@H](O)[C@H](O)C(C)(C)O 238768912 FTWKAMFFFFYMJW-URHSZMHCSA-N 356.503 2.233 0 1 FEAF OC[C@H]1[C@H](Cc2ccc3c(c2)OCO3)[C@@H](O)O[C@H]1c1ccc2c(c1)OCO2 85861621 UKAWKJJAYPMFJL-FEBSWUBLSA-N 372.373 2.001 0 1 FEAF biogenic O=S1(=O)N[C@@]2(CCCN(CCc3ccccc3)C2)COc2ccccc21 299852404 RHFREDHHQJRALE-HXUWFJFHSA-N 372.490 2.435 0 1 FEAF COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2ccc(S(C)(=O)=O)cc12 587650535 MRYSNJBVSGXJEA-UHFFFAOYSA-N 361.423 2.375 0 1 FEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN1CCO[C@H]2C1 587586401 CAWZZLYZNABBGK-ZWOKBUDYSA-N 353.374 2.197 0 1 FEAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(N)ccnc3[nH]2)cc1 587229036 ZDEPMUPGYJZREG-UHFFFAOYSA-N 354.370 2.039 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cnn(C)c2)N1 587761295 AIQAOJTYAZIPSG-ANRSDYALSA-N 368.206 2.184 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@H]2[C@H]4[C@@H]3[C@H]21 587409823 URWLXFJWWMIFAM-JLHCRNCISA-N 365.429 2.412 0 1 FEAF CNCCCn1c2c(c3ccc(F)cc3c1=O)C(=O)c1cc(OC)cnc1-2 1772641838 BNRFZTXOBLEOGA-UHFFFAOYSA-N 367.380 2.365 0 1 FEAF CC(C)C[C@H]1NC(=O)[C@@H]([S@@](=O)Cc2cccc(C(F)(F)F)c2)C1=O 169693709 OBNRZBKQIUGVRC-GTVBZTTRSA-N 361.385 2.436 0 1 FEAF Cc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)cc1 8661248 KRVAZBHJRAVXBB-UHFFFAOYSA-N 357.435 2.156 0 1 FEAF COc1ccccc1N1CCN(CCCCNC(=O)c2ccc[nH]2)CC1 13740979 WGORWZZXCZPMFB-UHFFFAOYSA-N 356.470 2.356 0 1 FEAF CN(CCOCCNC(=S)NC(=O)c1ccccc1)Cc1ccccc1 13742418 KEWKCRNEFJBHSP-UHFFFAOYSA-N 371.506 2.440 0 1 FEAF O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H](NCc3ccccc3)CO[C@@H]12 25213540 FJJIPCHZPGCRMJ-MANSERQUSA-N 360.454 2.370 0 1 FEAF biogenic C[C@@H](NC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2)c1ccccc1 45375089 WBWDGNPJJLVXMO-UTRMSSBJSA-N 366.417 2.016 0 1 FEAF COCCCNC(=O)c1cnc(N2CCOCC2)nc1-c1cccc(C)c1 82145170 RTXVIJKEOLDRGG-UHFFFAOYSA-N 370.453 2.055 0 1 FEAF Cn1cnc(C(=O)N(Cc2ccc(F)c(Cl)c2)C[C@@H]2[C@H]3CNC[C@H]32)c1 101270903 HTUXUNBQNWREPD-WDNDVIMCSA-N 362.836 2.320 0 1 FEAF O=S(=O)(c1ccc(F)c(F)c1F)N1CCC[C@H](Cn2ccnc2)C1 653861682 CDRIKGFWQFMEDR-LLVKDONJSA-N 359.373 2.401 0 1 FEAF O=C1NC(=O)[C@]2(CCCc3ccccc32)N1S(=O)(=O)c1ccc(F)cc1 1857552517 HFXHDSJNJKVJNB-GOSISDBHSA-N 374.393 2.298 0 1 FEAF CN1[C@H]2O[C@@H](c3cc4c(cc32)OCO4)[C@@H]2c3cc4c(cc3[C@H](O)[C@@H]21)OCO4 2356689629 QVOJMJUPCVSMKD-SLHNCBLASA-N 367.357 2.359 0 1 FEAF CC(C)(C)c1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)NCc2ccco2)nn1 2356854176 RMJBEBKMWSXFSG-HLLBOEOZSA-N 371.485 2.195 0 1 FEAF O=C(c1cncs1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 12758536 SQBPGBOFDAVHDL-LLVKDONJSA-N 371.509 2.035 0 3 FEAF CC(C)C[C@@H](CO)N1CCN(C(=O)c2ccc(Cl)cc2)CCC1=O 13111153 QBVIVPWKJQMVMX-INIZCTEOSA-N 352.862 2.422 0 3 FEAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)c3ccno3)C2)O1 96019013 PKVLFJSQCQKMBO-KXBFYZLASA-N 363.458 2.477 0 3 FEAF O=C(NCC(F)(F)F)[C@@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCC1 199248745 HORYLLGTLRVYBY-CYBMUJFWSA-N 369.343 2.071 0 3 FEAF CCCCOc1ccc2c(c1)[C@@H](N(C)S(C)(=O)=O)[C@H](O)C(C)(C)O2 2007046 ICXASNQRNZTLLB-CVEARBPZSA-N 357.472 2.330 0 1 FEAF CC(=O)N(C)c1ccc2c(c1)[C@@H](n1ccccc1=O)[C@H](O)C(C)(C)C2=O 3775890 VMAYAFWQDQDSOF-MJGOQNOKSA-N 354.406 2.004 0 1 FEAF CN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc2c(c1)OCO2 26272975 MRVPEVMSIPPKTF-UHFFFAOYSA-N 362.451 2.461 0 1 FEAF CN1C(=O)[C@@H]2C[C@]3(C)c4ccccc4N[C@@H]3N2C(=O)[C@@H]1Cc1ccccc1 2356517984 AORAAVFCUMFJME-MOXQZVSFSA-N 361.445 2.380 0 1 FEAF CC[C@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccccc2)C1=O 36382380 COGDFBMTJMTCNX-OAHLLOKOSA-N 353.426 2.051 0 3 FEAF C[C@]12CCCC(CO)(CO)[C@@H]1CC[C@@H](CO)[C@@H]2CCC1=CCOC1=O 14812912 ISJXTDPNEXILTC-IMBTUZDBSA-N 352.471 2.046 0 1 FEAF biogenic C[C@@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1 72141006 FYFGRWOQQRABOK-GOSISDBHSA-N 363.435 2.159 0 1 FEAF COC[C@@H](NC(C)=O)C(=O)NCc1ccc(Oc2cccc(F)c2)cc1 49784611 QTWGSANTLUVXSA-GOSISDBHSA-N 360.385 2.385 0 1 FEAF O=C(CNC(=O)c1ccc(F)cc1)N[C@@H](c1ccccc1)c1ncccn1 40916499 MOSUHGCZZUVJGU-SFHVURJKSA-N 364.380 2.251 0 1 FEAF CS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 142254142 RKZOFQCACJIJAW-UHFFFAOYSA-N 366.874 2.315 0 1 FEAF CCOC(=O)c1c(C)nc2c3c(C)nn(-c4ccccc4)c3ncn2c1=N 96929819 AWMQEHLFYRHUGM-UHFFFAOYSA-N 362.393 2.341 0 1 FEAF C[C@@H]1SC(c2ccccc2O)=N[C@@H]1[C@H]1SC[C@](C)(C(=O)O)N1C 83922718 NOEXPDVJQLSPPC-SFZBDCOOSA-N 352.481 2.491 0 1 FEAF biogenic CCOC(=O)[C@@H]1CN(CC)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517280 KJCHLQUWFNVVLI-HRAATJIYSA-N 371.433 2.311 0 1 FEAF COc1c2c(cc3c1[C@@]14CCN(C)[C@@H](CC3)C1=C[C@H](O)[C@@H](OC)C4)OCO2 14416473 MKGYTINLRGEUBT-BJMYLWLSSA-N 373.449 2.018 0 1 FEAF biogenic COC(C)(C)Cn1cc(-c2c(C)nc3c(N4CCOCC4)nccn23)cn1 169333460 SYTZFRYNXQMEJE-UHFFFAOYSA-N 370.457 2.163 0 1 FEAF CC(C)=CCOc1ccc(-c2ncc(C(=O)O)c(O)n2)cc1-n1ccnn1 1857602012 HTBPCHCBJRPWTE-UHFFFAOYSA-N 367.365 2.473 0 1 FEAF CC1=CN2C(=O)[C@](NC(=O)COc3ccccc3)(C(F)(F)F)N=C2S1 6272891 FZXWWEAXGURBGK-CQSZACIVSA-N 371.340 2.247 0 1 FEAF C/C=C1\[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O 100197347 BERYBAUEDCRDKM-FKUOWCLNSA-N 350.418 2.313 0 1 FEAF in-vitro O[C@H]1[C@H](n2ccnc2)[C@H]2OC[C@@H](O2)[C@@H]1NCc1ccc(Cl)c(Cl)c1 2356297727 XUWFHTIYVJOKGG-CWVYHPPDSA-N 370.236 2.005 0 1 FEAF CCC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=CCCCC=C[C@H](O)C1=CC=CCC1 2356725614 RDGMNPKVEAUIJA-JRSUCEMESA-N 366.498 2.150 0 1 FEAF NC1=N[C@]2(CO1)c1cc(-c3cncnc3)ccc1OC1(CCC1)C21COC1 220712707 APMDRJOSPMXZBV-HXUWFJFHSA-N 364.405 2.016 0 1 FEAF CCOC(=O)C1CCN(c2nc(NC)c3cc(OC)c(OC)cc3n2)CC1 82131942 UFGDUDVUKJAVST-UHFFFAOYSA-N 374.441 2.468 0 1 FEAF COc1ccc(-c2cc3c(C)nc(N)nc3n(CC(F)(F)F)c2=O)cn1 140273507 YXNCHXKJLZMXQV-UHFFFAOYSA-N 365.315 2.315 0 1 FEAF Fc1ccc(Cn2cc(CSC(=S)N3CCOCC3)nn2)cc1 96285724 GYCBAUSPDWZXKN-UHFFFAOYSA-N 352.460 2.316 0 1 FEAF CN1CC[C@H]2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)[C@H]2C1 253640146 WCIYUOOGUNVCHI-VQTJNVASSA-N 366.509 2.405 0 1 FEAF CCOC(=O)CNc1ccc(-c2nc3nc(C(=O)OC)ccc3[nH]2)cc1 587226182 WKHOCSQMTSAUSM-UHFFFAOYSA-N 354.366 2.387 0 1 FEAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(F)c(F)c2[nH]1 587226600 BTXQMBUJSZVTCP-UHFFFAOYSA-N 374.347 2.384 0 1 FEAF O=S(=O)(NCCc1nc2ccc(Cl)nc2[nH]1)c1ccc(Cl)nc1 586942459 LXBZZOQFYHKPDJ-UHFFFAOYSA-N 372.237 2.181 0 1 FEAF CCOC(=O)C(=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800439 XBQOHCCPYYZJBT-VXJOIVPMSA-N 358.207 2.470 0 1 FEAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(C[C@H](N)C(=O)O)c2c1 587650167 GNAJCGXOEVVZLN-HNNXBMFYSA-N 358.419 2.193 0 1 FEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586946078 QYGBYXJRRRJVBR-UHFFFAOYSA-N 374.422 2.065 0 1 FEAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc3c(cn2)OCO3)N1 963001615 ZMKYZNAPLMKKQQ-BONVTDFDSA-N 368.723 2.430 0 1 FEAF CN1C(O)=C(C(=O)Nc2nccs2)c2cc(Cl)ccc2S1(=O)=O 13605526 LEOJAJOVCLNZFX-UHFFFAOYSA-N 371.827 2.296 0 1 FEAF COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)/C=C(/F)[C@@H](C)[C@H](C)NC2=O 169335683 JRHABWKYLHCXIO-FNCFJGEISA-N 365.401 2.147 0 1 FEAF COc1cccc(N2CCN(C(=O)CCn3nnc4ccccc43)CC2)c1 201447162 UCDPFZDIBUKORJ-UHFFFAOYSA-N 365.437 2.179 0 3 FEAF CC[C@H](C)[C@H](C(=O)O)N(C(=O)[C@H](N)CC(C)C)[C@@H](C(=O)O)[C@@H](C)CC 1857632616 DXICGRKNEYCBLC-VQJWOFKYSA-N 358.479 2.187 0 1 FEAF O=C1C[C@@H]2[C@H](C[C@H](O)[C@H]2C=C[C@@H](O)COc2cccc(C(F)(F)F)c2)O1 2356380261 XYSPYIAAWRUEML-DGVSKKNDSA-N 372.339 2.314 0 1 FEAF CCOC(=O)[C@@H]1CCCN(C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)C1 3906708 NJZXDVHCPLGECK-GFCCVEGCSA-N 358.394 2.210 0 3 FEAF COc1ncc(Nc2ncc([C@H](C)N)cc2-c2nc(C)nc(N)n2)cc1F 113149893 SBDFHGXZBYSPBN-QMMMGPOBSA-N 370.392 2.130 0 1 FEAF COc1ccc2nc(CO[C@H]3CN(Cc4cnn(C)c4)C[C@@H]3F)[nH]c2c1 2356299207 BOGLXTQMPNJJJX-YOEHRIQHSA-N 359.405 2.044 0 1 FEAF CC(C)S(=O)(=O)n1c(N)nc2ccc(NC(=O)c3ccccc3)cc21 28963327 ZCXAUQUISZSTIK-UHFFFAOYSA-N 358.423 2.457 0 1 FEAF COc1ccc2nc(CO[C@@H]3CN(Cc4nccn4C)C[C@@H]3F)[nH]c2c1 2356697345 FELIIWBEOOHFKO-XJKSGUPXSA-N 359.405 2.044 0 1 FEAF CCC(=O)N1CCN(C(=O)CNc2cc(Cl)c(Cl)cc2OC)CC1 95921175 OUZHHLJHIYIRIB-UHFFFAOYSA-N 374.268 2.495 0 1 FEAF in-vitro CN(Cc1cccc2ccccc12)c1cc(N2CCOCC2)[nH]c(=O)n1 95552876 BNAXOOIZPLPQLF-UHFFFAOYSA-N 350.422 2.396 0 1 FEAF CC(=O)N1N=C(c2ccccc2)O[C@H]1C(=O)NCCc1cccc(F)c1 299851833 KJZZRNVBRJLUBO-IBGZPJMESA-N 355.369 2.051 0 1 FEAF NS(=O)(=O)c1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587042704 WDYGNOMMFJOREM-UKRRQHHQSA-N 374.491 2.157 0 1 FEAF O=[S@](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)CC1CC1 586959382 NPZWYNPVHOMRRD-VWLOTQADSA-N 357.439 2.281 0 1 FEAF CCOC(=O)[C@@H]1CN(CC)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587435604 GXEPYTQKXMDXAW-QEEYODRMSA-N 359.422 2.086 0 1 FEAF COC(=O)[C@H]1CCN(Cc2ccccc2)C[C@]12NCCc1ccc(O)cc12 963353762 SLWYFTZYBVCMRA-KNQAVFIVSA-N 366.461 2.428 0 1 FEAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(C)=O)c2cn1)c1ccccc1 1772608849 LYPSDBFUDOAILC-OAHLLOKOSA-N 368.397 2.426 0 1 FEAF COCCNC(=O)[C@H]1C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C 13660762 MZZDTQXXKZJNQU-ATZDWAIDSA-N 364.449 2.327 0 1 FEAF C[C@]1([C@@H]2C[C@H](c3ccoc3)OC2=O)C[C@@H]2OC(=O)C3=CCC[C@@](O)(O1)[C@]32C 2356399528 YEXRBYBPNHPJRD-ALCQSMKISA-N 374.389 2.403 0 1 FEAF O=c1[nH]c(Nc2cc(Cl)cc(Cl)c2)nc2c1ncn2COCCO 3590255 YLUBRUVDDJCRHD-UHFFFAOYSA-N 370.196 2.136 0 1 FEAF CC(C)[C@H]1/C=C/[C@@](C)(O)CC[C@@H](O)[C@@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 28639139 ZXUDZQNLOBXDTI-CLCGKSASSA-N 352.471 2.494 0 1 FEAF C[C@@H]1CC[C@H]1n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 27621110 KKEZSOIPESLRDU-IAQYHMDHSA-N 359.401 2.219 0 1 FEAF COc1cc2c(cc1OC)[C]1C(C)=c3ccc(OC)c(OC)c3=CN1CC2 2356820997 GBFQEPKXUTVKTD-UHFFFAOYSA-N 366.437 2.082 0 1 FEAF COc1cccc(-c2nc(N3CCOCC3)nc3ccc(C(=O)O)nc23)c1 143008365 CAHOMXOSBWJSFO-UHFFFAOYSA-N 366.377 2.235 0 1 FEAF CCC(=O)N(CC)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1 95895181 RIYDUNKMEMATPK-NSHGMRRFSA-N 358.482 2.401 0 1 FEAF CC(C)CCCn1c(=O)n(O)c(=O)c2c1ncn2CCc1ccccc1 473090545 WCSKFJQTKVFPMJ-UHFFFAOYSA-N 356.426 2.276 0 1 FEAF CCCC[C@]1(O)CC(=O)c2c(Cc3cc(O)cc(=O)o3)cc(O)cc2O1 38208753 MTRIRUSFZKHRLT-LJQANCHMSA-N 360.362 2.486 0 1 FEAF biogenic Nc1nc(O)c2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2n1 586914475 QJYADYYHYXVNBS-UHFFFAOYSA-N 363.333 2.409 0 1 FEAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccnc2[nH]1 587127728 CCXYLXMZZSOZAD-UHFFFAOYSA-N 362.315 2.382 0 1 FEAF COC(=O)[C@@H]1COC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355624 FJSNONVWEBJSIT-KNBMTAEXSA-N 372.348 2.448 0 1 FEAF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 586922699 YPMHMUIDUSCANV-UHFFFAOYSA-N 374.344 2.310 0 1 FEAF CCOC(=O)[C@H](F)[C@@]1(CC)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228974 PINIRZXLOWXEJG-BXWFABGCSA-N 360.385 2.340 0 1 FEAF COc1cccc2c1OC[C@]1(C2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963522018 DOOSDTZIZGFTIA-YWZLYKJASA-N 355.390 2.139 0 1 FEAF CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(=O)oc2ccc(C)cc12 1772581637 YGDJWEWPLQGKEI-MRXNPFEDSA-N 358.419 2.457 0 1 FEAF COc1ccc(C[C@@H](C(=O)Nc2ccc(OC)cc2)c2nnn[nH]2)cc1 5484073 RWBODGQKHJTVNF-MRXNPFEDSA-N 353.382 2.182 0 3 FEAF COc1ccc(C2CN(C(=O)C[C@@H]3CCN(C#N)C3)C2)cc1-c1cc[nH]n1 1857545622 QWGFQAKJRWIWLU-AWEZNQCLSA-N 365.437 2.204 0 1 FEAF CCCC(=O)OCSc1ccccc1C(=O)N[C@H]1CCC[C@H]1C(N)=O 1857584848 JHZJIGKQOBIWRE-OCCSQVGLSA-N 364.467 2.463 0 1 FEAF C[C@H](NC(=O)Cn1c(NCCO)nc2ccccc21)[C@@H]1C[C@@H]2CC[C@@H]1C2 100462412 IMMAGYGNFBATCG-JJXSEGSLSA-N 356.470 2.381 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C[C@H](O)[C@]13COC(=O)[C@H]1C=CC[C@H]32 2356464556 NYEJHAGTUYDMIT-XCCAEVGWSA-N 356.374 2.310 0 1 FEAF CC=C1CN2[C@H]3C[C@]45c6ccccc6N[C@@]4(O3)[C@@]2(OC)C[C@H]1[C@@H]5C(=O)OC 2356660385 DTWMPIYEXLWLSM-STNXNXRVSA-N 368.433 2.220 0 1 FEAF COC(=O)C[C@@H]1C[C@H](C)O[C@@H](c2cc(C)c(OC)c3c2COC3=O)O1 2356821408 GAIFOSFDGGZWGW-LDLUMPKVSA-N 350.367 2.430 0 1 FEAF CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C[C@H]3O[C@H]31)[C@H]42 85511392 AUVZFRDLRJQTQF-NIAVFTRYSA-N 352.434 2.432 0 1 FEAF biogenic,in-vitro CCc1nc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2N)cs1 82072828 FBPDEYHTVZOKTB-OAHLLOKOSA-N 358.467 2.209 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)[C@]34O[C@@]3(C[C@@H]12)OC(=O)[C@H]4C 238759143 OVMSUOGTJXIEKB-YBGDXNKKSA-N 364.438 2.340 0 1 FEAF CCOC(=O)C[C@@]1(c2ccn(C)n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433409 XMOAATVFZOLOGO-BFUOFWGJSA-N 356.378 2.025 0 1 FEAF O=C1NC(=O)[C@H](Cc2coc3ccc(Br)cc3c2=O)S1 169327863 GHYDBQYEBFYRLN-JTQLQIEISA-N 354.181 2.450 0 1 FEAF COc1ccccc1N1CCN(CCCCNC(=O)c2cccnc2)CC1 13740982 AHHOKEBBUZLGDG-UHFFFAOYSA-N 368.481 2.422 0 1 FEAF C[C@@]12Nc3ccccc3C(=O)N1Cc1cnnn1-c1cc3c(cc12)OCO3 206036950 GEEAORRSDMQQNB-LJQANCHMSA-N 361.361 2.250 0 3 FEAF CC[C@@H](OC(=O)c1cc2sccc2n1C)C(=O)NC[C@H]1CCCO1 4388672 XXVXZSSCNCLSFK-BXUZGUMPSA-N 350.440 2.470 0 3 FEAF Cn1c(=O)cc(OCCCC(=O)NCc2cccnc2)c2ccccc21 4925309 KEEBOIGIFBBWLH-UHFFFAOYSA-N 351.406 2.409 0 3 FEAF CCCCn1c(=O)[nH]c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21 29037263 QPQPJZBWDDDIBD-UHFFFAOYSA-N 364.409 2.125 0 1 FEAF O=C(O)c1ccc(CN2C[C@@H](F)[C@H](OCc3nc4cnccc4[nH]3)C2)cc1 2356484625 BKEPAJRRMBMRJN-RHSMWYFYSA-N 370.384 2.395 0 1 FEAF CCC[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS[C@H]12 26504871 VSBQCUNGMMUZET-SWLSCSKDSA-N 355.456 2.477 0 1 FEAF O=C(O)c1cc(CN2CCC(c3ncccn3)CC2)c2ccccn2c1=O 66079001 OOYYPDJWVGOZTJ-UHFFFAOYSA-N 364.405 2.167 0 1 FEAF NC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(CO)c3)c2c1N 73240607 VFEZHUPONWJWET-UHFFFAOYSA-N 355.423 2.106 0 1 FEAF Cc1cc(NC(=O)c2ccc3cc4n(c3n2)CC(C)(C)CNC4=O)no1 147082259 DLOOMMVSICCHTJ-UHFFFAOYSA-N 353.382 2.355 0 1 FEAF C[C@H]1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@@H]1C(=O)OC[C@H]1O 96935363 LNWUDQLCSLNXLR-WQXQQDJYSA-N 354.487 2.122 0 1 FEAF CC(C)=CCN1CCN(Cc2ccc(N3CCNC3=O)cc2)C[C@H]1CCO 257371884 RXYVFJZFXCTUGL-HXUWFJFHSA-N 372.513 2.051 0 3 FEAF COc1cccc(S(=O)(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)c1 263590296 JITLAPCUTSRKRQ-SJORKVTESA-N 358.419 2.119 0 3 FEAF C=CC(=O)OC[C@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 621485863 PYRLTOIIMCOGMO-BBRMVZONSA-N 374.462 2.457 0 1 FEAF Oc1nc(S)nc2[nH]c(-c3nc(Cl)cnc3Br)nc12 587005918 ZMIBUGVNOOLVSC-UHFFFAOYSA-N 359.596 2.220 0 1 FEAF O=C(O)CSc1ncccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CO3 586967973 HZTPUANLHRLLJG-UHFFFAOYSA-N 356.363 2.133 0 1 FEAF O=C1c2ccc3ccoc3c2O[C@H]2COc3cc4c(cc3[C@@]12O)OCO4 2356477311 RFBAPRONSCOSFV-KXBFYZLASA-N 352.298 2.385 0 1 FEAF CCc1nnc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)s1 27420319 ADKGEWPYQMDRHI-NSHDSACASA-N 364.402 2.368 0 1 FEAF N=C(N)Nc1cccc(C(=O)Nc2ccc(/C=C/C(=O)O)c(C(=O)O)c2)c1 29250810 VOZZIKGZFLWFGA-FNORWQNLSA-N 368.349 2.040 0 1 FEAF CC(C)N(C[C@H](C)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1)c1ccccc1 27733630 WXHZNQCQBSNBSE-MGPUTAFESA-N 371.481 2.418 0 1 FEAF O=[N+]([O-])c1cn2c(n1)OC[C@H](NCc1ccc(OC(F)(F)F)cc1)C2 214472537 OWKPAFONRAJFPD-SNVBAGLBSA-N 358.276 2.241 0 1 FEAF CCCCNC(=O)C(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 45393016 KBQUQNAJFQDZBP-UHFFFAOYSA-N 374.872 2.453 0 1 FEAF O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21 195122643 NLRDWJJCYOHFLS-UUBMZHIOSA-N 361.401 2.120 0 1 FEAF CCCCc1oc(CCc2ccc(O)c(OC[C@H](O)CO)c2)cc1CO 85624430 QXBKRDNWSLTDHH-MRXNPFEDSA-N 364.438 2.337 0 1 FEAF biogenic,in-vitro O=C(O[C@@H]1CCCC[C@@H]1n1cc(CN2CCOCC2)nn1)c1ccccc1 82157467 PNRUIYWEALQFKP-RBUKOAKNSA-N 370.453 2.451 0 1 FEAF CC(=O)c1ccc(NCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 144806795 NIDLCQRMZVBBHW-UHFFFAOYSA-N 353.422 2.356 0 1 FEAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccccc3O)nc12 95590689 XMFWVNIKJZILRH-UHFFFAOYSA-N 373.390 2.270 0 1 FEAF Oc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 586967027 RMMJQLDESVCQLG-UHFFFAOYSA-N 354.294 2.378 0 1 FEAF NS(=O)(=O)Cc1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 586930622 UGMYMCNMFRGGOV-UHFFFAOYSA-N 356.329 2.432 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587232044 RSFDFGMKXBUQLM-LSDHHAIUSA-N 372.469 2.301 0 1 FEAF CC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 141780330 LLQARGPRIDNZEH-SFHVURJKSA-N 354.406 2.229 0 1 FEAF O=C([C@@H]1CCC(=O)N(C2CC2)C1)N1CCN(c2cccc(Cl)c2)CC1 15063611 XJQHUTAXVVIVKA-CQSZACIVSA-N 361.873 2.390 0 3 FEAF NS(=O)(=O)c1ccc(-c2cccc(/C=C3\SC(=O)NC3=O)c2)cc1 15924836 YSNNNZKTTMCRLF-ZROIWOOFSA-N 360.416 2.325 0 3 FEAF COc1cc(CCn2cnc3ccc([S@@](C)=O)cc3c2=O)cc(OC)c1 1857539968 SKTLXRSJBDNTDF-AREMUKBSSA-N 372.446 2.394 0 1 FEAF NC(=O)c1ccc([C@H](c2ccc3cccnc3c2O)N2CCOCC2)cc1 115633263 RQMUSVUSNVXXEL-LJQANCHMSA-N 363.417 2.461 0 1 FEAF O=C1CS[C@H](C23CC4CC(CC(C4)C2)C3)N1CCN1CCOCC1 28713227 SCKSFDPJFGUTNU-CHNSHAQVSA-N 350.528 2.437 0 1 FEAF OCCCCNc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](O)CC2)n1 103242217 RTLVYUQCERXOJO-GASCZTMLSA-N 357.458 2.438 0 1 FEAF CC1=C2[C@H](OC(=O)C(C)C)[C@]3(C)[C@H](C)CCC[C@]3(O)C[C@]2(O)OC1=O 2356378019 SWBUICHZUKBNOP-LEQFJHBKSA-N 352.427 2.077 0 1 FEAF CCOC(=O)CCc1c(C)nc2nc(NCc3ccccc3)nn2c1O 21178516 WHLPPQZINWBEFJ-UHFFFAOYSA-N 355.398 2.246 0 1 FEAF O=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1ccc(NCCO)nc1 26174925 ZLAZZJXAYPXLOS-UHFFFAOYSA-N 366.830 2.421 0 1 FEAF CC(=O)N1CCC(NC[C@@H]2Cn3cc(-c4ccccc4)nc3CO2)CC1 2356380534 JGKZDVRKWKKAQK-GOSISDBHSA-N 354.454 2.049 0 1 FEAF COC(=O)C1=C2[C@](C)(C(=O)OC)[C@@H](OC=O)CC[C@]2(C)c2ccccc21 2356703447 CWVFPXBNVZCOCD-VHKYSDTDSA-N 358.390 2.399 0 1 FEAF N[C@H]1CSCON2CCc3c([nH]c4cc(Br)c(O)cc34)[C@@H]12 15209797 XHYJPORPMFTSBP-IINYFYTJSA-N 370.272 2.498 0 1 FEAF biogenic N#Cc1cccnc1-c1nccn1Cc1ncn2ncnc2c1CCCF 138869078 SQZVKGOCXXJDRW-UHFFFAOYSA-N 362.372 2.205 0 1 FEAF O=C(NC[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1CC1CC1)c1cccnc1 95895506 IIUQNEIXKUWLNW-SLFFLAALSA-N 351.450 2.050 0 1 FEAF COc1c2c(cc3c1[C@]14CCN(C)[C@H](CC3)C1=C[C@@H](O)[C@@H](OC)C4)OCO2 238751776 MKGYTINLRGEUBT-WYSJICDVSA-N 373.449 2.018 0 1 FEAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(C(N)=O)cc3[nH]2)cc1 586940558 AGTJBFUALZTEJQ-HJWRWDBZSA-N 370.434 2.061 0 1 FEAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC(N)=O 587388791 GVYDEUZALMZSII-MRXNPFEDSA-N 356.378 2.156 0 1 FEAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc4c(cc3[nH]1)OCC(=O)N4)C2 587247005 LDEFGDAOEWXJJV-HXUWFJFHSA-N 364.405 2.245 0 1 FEAF O=C1O[C@@H](c2ccc(F)cc2)[C@H](O)N1c1cccc(OS(=O)(=O)O)c1 1772658098 RPDUZJOAGFMHEV-KBPBESRZSA-N 369.326 2.024 0 1 FEAF O=C(O)c1ccc(N2CCN(C(=O)COc3ccccc3F)CC2)cc1 1857608301 PIYNOEOXPBQWHD-UHFFFAOYSA-N 358.369 2.252 0 1 FEAF C[C@@H]1[C@H](c2ccc3c(c2)OCO3)O[C@](O)(c2ccc3c(c2)OCO3)[C@]1(C)O 2356431514 USEXULCBBRQLCW-ZKBAEPOKSA-N 372.373 2.448 0 1 FEAF CCC(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O 2356287293 GHONXTHBNDXNCL-NUJGCVRESA-N 362.401 2.458 0 1 FEAF COc1cccc(N2CCC(OC(=O)N3CCN(C(C)C)CC3)CC2)n1 223526615 TUUADAUMPLPXFK-UHFFFAOYSA-N 362.474 2.222 0 1 FEAF COc1ccc2c(c1)[n+](=O)c(C(=O)NCCc1ccccc1)c(C)n2O 49071982 GQHFEUSKSWACIA-UHFFFAOYSA-O 354.386 2.083 0 1 FEAF NC1=N[C@](CF)(c2cc(-c3cncc(F)c3)c(CO)cc2F)[C@H]2C[C@@H]2O1 220656817 HMEVXGWCKDIWSV-QILLFSRXSA-N 363.339 2.417 0 1 FEAF CCOC(=O)C(=O)Nc1nc(-c2cc(OC)c(O)c(OC)c2)cs1 40504428 BHNSIMWZBJRWKG-UHFFFAOYSA-N 352.368 2.035 0 1 FEAF COC(=O)[C@]1(OC)OC(=O)C(c2ccc(O)cc2)=C1c1ccc(O)cc1 238786165 VCFBERSLVWUTOR-LJQANCHMSA-N 356.330 2.081 0 1 FEAF Cc1nn(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)c1Br 586978731 DRBRROKXTQAAIS-UHFFFAOYSA-N 373.218 2.163 0 1 FEAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](N)C3COC3)nc2c1 587255471 HGZADGUMFCPOCS-LLVKDONJSA-N 354.204 2.148 0 1 FEAF Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccnc2)c1C 201448706 IEXWYWHCHHCJON-KRWDZBQOSA-N 359.451 2.490 0 3 FEAF CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NCCO 5413695 PROXDUGAXYIWMM-GJZGRUSLSA-N 363.458 2.074 0 1 FEAF biogenic O=C(NC1CCOCC1)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 12584666 YAYLPSGUQOCKGV-AWEZNQCLSA-N 350.846 2.374 0 3 FEAF COc1cc(C[C@@H]2C(=O)O[C@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O 14646979 BTXZSJTULWTSJG-IQUTYRLHSA-N 374.389 2.180 0 1 FEAF biogenic COc1cc(OC)c2c(=O)cc(-c3ccc(OC[C@@H](O)CO)cc3)oc2c1 169351489 GUNMHXKLVKGEFL-ZDUSSCGKSA-N 372.373 2.209 0 1 FEAF COc1ccccc1O[C@@H]1CC[C@@H](NC[C@H]2COc3ccccc3O2)[C@@H]1O 169362590 VEWHQFCTRYPEDT-RSMHBEIYSA-N 371.433 2.396 0 1 FEAF COc1ccc2nc3n(c2c1)[C@H](CNC(=O)COc1ccccc1)COC3 2356300077 SUUQPXGNWIEJJJ-CQSZACIVSA-N 367.405 2.311 0 1 FEAF COC(=O)c1ccc2c(c1)nc1n2[C@H](CNCc2cccnc2)COC1 2356475877 TXKQZROOXHXNRV-OAHLLOKOSA-N 352.394 2.079 0 1 FEAF COc1ccc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)cc1 114078770 ULUARQDPFVJPMB-UHFFFAOYSA-N 365.437 2.464 0 1 FEAF COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N(O)[C@@]15[C@H]2C)[C@@H]43 2356868453 XBTLJNCJTKVFAE-OCIQKRMFSA-N 352.434 2.346 0 1 FEAF C/C=C\Cc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O 1911575938 SDZLXWXQFRHLMT-PLNGDYQASA-N 367.497 2.263 0 1 FEAF O=C(O)C1=CN=C(C(=O)O)CS[C@H]1c1cn2c3c(sc2n1)CCC3 31976933 CHNMLWCTGYMVFH-GFCCVEGCSA-N 363.420 2.167 0 1 FEAF in-vivo C[C@@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@@]45CCC(=O)O[C@@H]4[C@@]2(C[C@@]35CO)C1=O 136773249 NSXREQMEZLBUTD-ZKHUYFPZSA-N 371.477 2.080 0 1 FEAF O=c1ccc(N2CCNCC2)nn1CCOc1cccc(Cl)c1Cl 45255139 QEEXOQKIMOPQAO-UHFFFAOYSA-N 369.252 2.039 0 1 FEAF CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@@H](C(C)C)N2 82206182 BGVDPIONUMVNDW-HNNXBMFYSA-N 358.442 2.188 0 1 FEAF COc1cc2ccccc2cc1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1 98208703 CYEAIBNOGXXKTF-NUEKZKHPSA-N 354.295 2.149 0 1 FEAF in-vitro COc1cc(C(=O)OCCn2nnc3ccccc32)cc(OC)c1OC 653748788 FTUGYXHYPUNKCI-UHFFFAOYSA-N 357.366 2.314 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(OC)c(OC)cc41)[C@@H](C2)C3=O 587440732 QERYICGLJJDILP-FKIZINRSSA-N 367.357 2.307 0 1 FEAF Nc1cnc(-c2nc3c(Cl)ncc(I)c3[nH]2)nc1 587252883 RHLNKSWSWDJCQL-UHFFFAOYSA-N 372.557 2.255 0 1 FEAF CN(C[C@H](O)Cn1c2ccc(F)cc2c2c(F)cccc21)S(C)(=O)=O 149351433 PEWAZYNTPJRVQB-LBPRGKRZSA-N 368.405 2.325 0 1 FEAF NS(=O)(=O)c1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 13538589 AXXSVTAXFAAJTE-UHFFFAOYSA-N 356.407 2.226 0 1 FEAF Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCc2ccccc2O1 13677695 LJCOOTYYOAYVGD-RUZDIDTESA-N 361.298 2.185 0 1 FEAF CCN1C(=O)c2cccc3c(S(=O)(=O)N4CC[C@@H](OC)C4)ccc1c23 1857747741 VZWKOHJYSFSCDD-GFCCVEGCSA-N 360.435 2.229 0 1 FEAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2ccncc2F)CC[C@]1(C)O 2356288906 MQNMLXBUFDBXMZ-ZCNNSNEGSA-N 357.429 2.423 0 1 FEAF O=C1Nc2c(CN3CCOCC3)ccnc2N(C2CC2)c2ncccc21 27548814 DJJGHDUJVKRXFH-UHFFFAOYSA-N 351.410 2.175 0 1 FEAF OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)cc(Cl)nc32)C[C@@H]1O 27322167 VKAISMJLRZBFEC-GZBFAFLISA-N 366.849 2.470 0 1 FEAF CC1(n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)c(F)c32)CC1 27526039 DJBSZWOETUKXOP-VIFPVBQESA-N 363.364 2.024 0 1 FEAF CN(C)CC[C@H](c1ccc(Cl)c(Cl)c1)n1nnc(-n2nccn2)n1 64379314 QKJHAKPYTLBQLZ-CYBMUJFWSA-N 367.244 2.102 0 1 FEAF COC(=O)Nc1nc2cc(N3CCN(C(=O)c4ccco4)CC3)ccc2[nH]1 29471087 YNUKDHYKFYRSQT-UHFFFAOYSA-N 369.381 2.297 0 1 FEAF Cc1c(N2CC(C)(CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 28703413 PHWQVOKKEZJMGM-UHFFFAOYSA-N 359.401 2.267 0 1 FEAF CO[C@]1(Cc2c[nH]c3cc(Br)ccc23)C(=O)N(C)C(=N)N1C 13371054 QGMVWWCRCSOHMZ-OAHLLOKOSA-N 365.231 2.154 0 1 FEAF biogenic O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@@H](O)c1ccc2c(c1)OCO2 14646882 DAYYVCOMHYXEFZ-AGRHKRQWSA-N 370.357 2.209 0 1 FEAF biogenic CN1CCCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)S1(=O)=O 223902813 MZZYNDIMZODFGH-HNNXBMFYSA-N 373.478 2.038 0 1 FEAF CN(CC(=O)OCC(C)(C)N(C)C)C(=O)c1coc(-c2cccs2)n1 82085817 IMJCNHYPLNCYAO-UHFFFAOYSA-N 365.455 2.359 0 1 FEAF COCCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)C(C)=O 95895128 JVEYYKRXVKLKEY-FKBYEOEOSA-N 368.477 2.265 0 1 FEAF O=N[C@H](COc1cc(F)cc(F)c1)n1c2c(c3c1OC(=O)C3)CC(=O)O2 587944802 IWOUFUNYFBMYLR-LBPRGKRZSA-N 364.260 2.033 0 1 FEAF Cc1ccc2c(ccc3nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c32)n1 587202036 ATGIAJBRKKHSDX-OAHLLOKOSA-N 353.426 2.498 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)C=C2C(N)=O)N1 587775456 SPECSWWLSWDPFX-FVMDXXJSSA-N 366.234 2.146 0 1 FEAF CNS(=O)(=O)c1cc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)n(C)c1 586947413 NRWJTFDWXGJLKI-UHFFFAOYSA-N 360.226 2.178 0 1 FEAF Cc1[nH]nc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1Br 962897961 NZAAFOKYYNCQJT-CMPLNLGQSA-N 354.179 2.308 0 1 FEAF C[C@@H]1CN(C2CC2)C[C@@]12N[C@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12 962628723 HMHJCJGULPFZBX-ANTHHZPCSA-N 370.371 2.494 0 1 FEAF O=C(Nc1ccc(F)cc1)c1c(NCc2ccccc2)nc(O)n(O)c1=O 1772610730 SYMNRZQTPOFKJK-UHFFFAOYSA-N 370.340 2.190 0 1 FEAF CCn1cnnc1CN(C)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12717775 ODTUOESFKRKYGZ-INIZCTEOSA-N 361.490 2.075 0 1 FEAF O=C(Nc1csc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1)c1cccs1 3582340 ZWHACVORUKFBLL-UHFFFAOYSA-N 363.376 2.216 0 1 FEAF CC(=O)[C@H](Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)N(C)C 4164488 RZJZWTPWMILOGJ-HNNXBMFYSA-N 373.413 2.068 0 1 FEAF CCOC(=O)c1cnc2nc(NCc3ccc(OCC)cc3)nn2c1O 8324119 TUAGHNSIHMHWOQ-UHFFFAOYSA-N 357.370 2.017 0 1 FEAF OC[C@@H]1[C@H](O)C[C@@H](NCC2CC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356289335 UBQIVEBIWLHCRB-IYWMVGAKSA-N 353.466 2.044 0 1 FEAF CCC[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)O 27743664 SFGNRLKCFSZOSU-LSDHHAIUSA-N 350.415 2.307 0 1 FEAF CC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 59338516 CSSBPZDYBJWQFO-QCBUCWTNSA-N 368.389 2.052 0 1 FEAF CCOC(=O)c1cc2c(oc1=O)-c1c(c(C(=O)OCC)n(C)c1C)CC2 101685914 WMJUNZNJQIYCTM-UHFFFAOYSA-N 359.378 2.406 0 1 FEAF COC(=O)C1=C[C@@H]2[C@H](CCN3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]23)[C@@H](C)O1 2356398080 VVECRUHJDJLLEQ-FLJTXQJUSA-N 368.433 2.063 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]13CCC1=C(C(=O)OC1)[C@H](O)C=C[C@H]32 2356608504 AHAPUAPISQPISM-CHGCTZGBSA-N 356.374 2.454 0 1 FEAF COC(=O)c1ccc([C@H]2C=C(C(=O)O)O[C@@H](OCCCCO)C2)cc1 33749280 OGCCBTKTUVQNTH-GOEBONIOSA-N 350.367 2.061 0 1 FEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C[C@@H](C)[C@@H](O)C[C@H](C1)[C@@H]23 34287836 LHNRZSVXQWMCJY-JAGIDWHDSA-N 354.450 2.272 0 1 FEAF CCCn1cnc2c1CN(C(=O)c1ccc(OC)cc1)[C@H](C(=O)OC)C2 15706983 WQARXCLZZZISIL-INIZCTEOSA-N 357.410 2.042 0 1 FEAF biogenic CCOc1ccc2cc(-c3nn([C@@H]4CCOC4)c(N)c3C(N)=O)cnc2c1 221780049 NUFMUAKSLVYPQF-CYBMUJFWSA-N 367.409 2.140 0 1 FEAF Cn1c(-c2ccc3nccnc3c2)c(-c2cccc(C(N)=O)c2)c(=O)n1C 45349790 HFAYHLRYDHSTQH-UHFFFAOYSA-N 359.389 2.100 0 1 FEAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCc2cccnc2)nc1 199941805 UWSSPMRIICNZKQ-UHFFFAOYSA-N 372.454 2.240 0 1 FEAF C[C@]1(c2ccccc2)OC(=O)c2c1ccn(CCCN1CCOCC1)c2=O 96909303 PZEXPPBWGXWSEG-OAQYLSRUSA-N 368.433 2.005 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1CC[C@]2(O)C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 238744542 WMGYLVZNPCNSGB-AJOJSOPVSA-N 364.438 2.387 0 1 FEAF CO[C@@H](C)c1cccc2c1CCN1C(=O)CN=C(c3ccn(C)n3)C=C21 149199989 AXDXFTQUQRRHCN-ZDUSSCGKSA-N 350.422 2.356 0 1 FEAF C/C=C1/CN2CC[C@]34C(=O)[C@H]2C[C@@H]1[C@]3(C(=O)OC)C=Nc1ccccc14 238781092 NOEROADCEPGVQJ-VRPVSQLQSA-N 350.418 2.423 0 1 FEAF CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12 587631100 GDIHTVQWTXMUSA-UHFFFAOYSA-N 353.781 2.094 0 1 FEAF C[C@]1(O)OC(=O)C(c2cccs2)=C1c1ccc(S(C)(=O)=O)cc1 13488617 CTGPIHLEOYRNCV-INIZCTEOSA-N 350.417 2.328 0 1 FEAF CCCC(=O)OCSc1ccccc1C(=O)NCC(=O)NC(C)C 1857599101 MBVGYHAAXHHNGS-UHFFFAOYSA-N 352.456 2.334 0 1 FEAF NC(=O)CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 29322756 ZHAFWMVAHUFVKB-UHFFFAOYSA-N 367.493 2.286 0 1 FEAF C[C@@H](O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356536142 GDKXZPQRUWPQMV-VFLPZOHTSA-N 352.515 2.329 0 1 FEAF Cc1nccc(C[C@@H]2[C@H](NCc3ccc(Cl)cc3)C[C@H](O)[C@H]2CO)n1 2356624329 AVYNEWQZTJGZME-OKYOBFRVSA-N 361.873 2.129 0 1 FEAF Nc1cnc(-c2ccc(-c3ccccc3C(=O)NCCO)cc2F)cn1 224812498 PIRDIOJPTLMKTJ-UHFFFAOYSA-N 352.369 2.254 0 1 FEAF CCOc1ncccc1C(=O)N[C@@H](c1cncc(OC)c1)C1CC(O)C1 230492796 CQUUBPRZKXPRMC-MKTAYPAQSA-N 357.410 2.126 0 1 FEAF CC(C)(C)OC(=O)N[C@H]1C=C[C@H](OC(=O)CC(=O)OCC(F)(F)F)C1 61943183 HSUZXGUKFHNNAU-UWVGGRQHSA-N 367.320 2.247 0 3 FEAF biogenic COCCN1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583770 URHTYJJCIRSJDD-FXAWDEMLSA-N 355.390 2.445 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587232241 URKJTGCXNVJCRZ-MNOVXSKESA-N 363.389 2.437 0 1 FEAF CCN(CC)C(=O)COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587369856 QIVSOGNXVDKGEB-UHFFFAOYSA-N 368.393 2.350 0 1 FEAF C[C@@]1(c2ccc(S(C)(=O)=O)c(F)c2)NCCc2c(C(=O)O)cccc21 963123401 OTWLRXIRDSMLJT-SFHVURJKSA-N 363.410 2.337 0 1 FEAF Cc1c(C(=O)NCCN2CCOCC2)sc2c1[nH]c(=O)c1ccccc12 169352961 ZNTLLJAZXHKDQU-UHFFFAOYSA-N 371.462 2.113 0 1 FEAF COc1cc(-c2nc(S(C)(=O)=O)n[nH]2)ccc1COc1ccccc1 1857637506 YIDBWTBKMMRQBH-UHFFFAOYSA-N 359.407 2.463 0 1 FEAF C[C@]1([C@@H]2C[C@H](c3ccoc3)OC2=O)C[C@@H]2OC(=O)C3=CCC[C@](O)(O1)[C@]32C 2356399527 YEXRBYBPNHPJRD-AAMISZCHSA-N 374.389 2.403 0 1 FEAF Cc1c(N2CC[C@@H](N(C)C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3637711 ZHKKPDRPAGQYLF-CYBMUJFWSA-N 373.428 2.463 0 1 FEAF Cc1ccc([C@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2CCN(C)C)o1 100286774 FNAUEZJKFGUHLN-CABCVRRESA-N 360.435 2.163 0 1 FEAF NS(=O)(=O)c1ccc(-n2c(-c3ccc(F)cc3)n[nH]c2=S)cc1 103270362 SNJHXIQXIMEJEG-UHFFFAOYSA-N 350.400 2.383 0 1 FEAF CC[C@@H]1C[C@H](O)[C@@H]2[C@@H]1C[C@]1(C)CC[C@H](C(CO)CO)C1=CC[C@]2(C)O 2356447325 OHNVMRBSEQNCQL-HQXGYGQXSA-N 352.515 2.498 0 1 FEAF Cc1cc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2F)ccc1O 29056848 MRNIIMUYTPPZDO-UHFFFAOYSA-N 369.356 2.282 0 1 FEAF C/C=C1/CN2CC[C@@]34C(=O)[C@@H]2C[C@@H]1[C@]3(C(=O)OC)C=Nc1ccccc14 33955968 NOEROADCEPGVQJ-OQTQPSEISA-N 350.418 2.423 0 1 FEAF COCCC(=O)Nc1cccc([C@@]2(C3CCCCC3)N=C(N)N(C)C2=O)c1 34949851 JKKLMAOQHPBFAO-HXUWFJFHSA-N 372.469 2.224 0 1 FEAF CO[C@](C)(C[C@@H]1C=C(C)C(=O)O1)[C@@H](O)COc1ccc2ccc(=O)oc2c1 15212115 RQBQLXAWTWABLH-RIFZZMRRSA-N 374.389 2.200 0 1 FEAF biogenic CC(C)CN1C(=O)CSC[C@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 199231504 ZBPKWGWROHCXGO-GOSISDBHSA-N 364.467 2.386 0 3 FEAF NCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069430 FEBGCAQVHVJSKL-AWEZNQCLSA-N 359.451 2.164 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C 86010732 YOQIGAVHLYFIAF-FINXAYSFSA-N 364.438 2.243 0 1 FEAF in-man C/C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@@]2(O)C1 238736482 VYDPZFPZVFZUFI-WVADEYSWSA-N 364.438 2.387 0 1 FEAF CO[C@@H]1OC[C@]2(CC/C(=C/CO)CO)[C@H](C)C[C@H](O)[C@@]13C(C)=CCC[C@H]23 238759596 OYOCQFXSNOJORV-VEIWGYEASA-N 366.498 2.410 0 1 FEAF CC1=C(C(=O)O)C(=O)[C@H]2c3cc4cccc(O)c4c(O)c3C(=O)C[C@]2(O)C1 43207879 HZZQUBYOXIKCPW-OXQOHEQNSA-N 368.341 2.026 0 1 FEAF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cnn(C)c2)N1 587764144 OMLZIITVJPILKK-ANRSDYALSA-N 368.206 2.184 0 1 FEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(CCN(c3ccccc3)C(=O)C2)N1 962926592 XSXBKMQUNALKNO-JXFKEZNVSA-N 354.381 2.447 0 1 FEAF N#Cc1c[nH]cc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1=O 222892661 ZDUQTPNQSTXJGQ-UHFFFAOYSA-N 358.206 2.495 0 1 FEAF Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCCCN1CCCC[C@@H]1C)O2 5069914 NLAGBQUFKUYVAV-YJBOKZPZSA-N 359.470 2.465 0 3 FEAF C[C@H](O)c1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1 12643607 GXIZPORZZXZSAK-INIZCTEOSA-N 364.449 2.438 0 3 FEAF COCCn1cc(-c2cnc(N)c(C(=O)Nc3ccncc3C)c2)cn1 150009337 XUWPXRANFZZJDO-UHFFFAOYSA-N 352.398 2.129 0 1 FEAF CC(=O)Nc1nc(-c2cccc(NC(=O)[C@H](N)Cc3cnc[nH]3)c2)cs1 1857543797 KIASXOAQBPONKU-CQSZACIVSA-N 370.438 2.000 0 1 FEAF Cc1cc(O)nc(-n2cc(C(=O)N3CCC(C(F)(F)F)CC3)cn2)n1 1857615826 MSNSCGNXGXDJOJ-UHFFFAOYSA-N 355.320 2.091 0 1 FEAF CN1CCCN(N(Cc2ccncn2)[C@@H]2CCCc3cccnc32)CC1 1857640805 NXNIJUFHZFRIRS-LJQANCHMSA-N 352.486 2.304 0 1 FEAF CC1CCC(C(=O)N[C@@H](C(=O)NCCCN2CCCC2=O)C(C)C)CC1 3895694 IUPQIAIKZUHRDR-LEOMRAHMSA-N 365.518 2.082 0 1 FEAF Cc1c(N2CCCNCC2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520769 LUEMMIDEVWKXNM-UHFFFAOYSA-N 359.401 2.122 0 1 FEAF COC(=O)c1ccc2c(c1)C(NCCCN)=C1C(=N[C@@H]3C=CC=C[C@H]13)N2C 103164674 AHFQPZUEVZSQGJ-GOEBONIOSA-N 364.449 2.095 0 1 FEAF CC(=O)N[C@@H]1[C@H](c2ccccc2)N(Cc2c(C)noc2C)CC[C@]1(C)O 2356477264 YXVWHFODCHPPMT-ZCNNSNEGSA-N 357.454 2.494 0 1 FEAF C[C@H]1C(COc2ccc3ccccc3c2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 26491789 YVVWZNIXHVXFIF-PCHOHSICSA-N 367.401 2.415 0 1 FEAF O=C(NCCN1CCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cc1 64527520 WJGSEALZNJBISL-UHFFFAOYSA-N 362.836 2.426 0 1 FEAF CCOCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 6844485 KQQCIXXDBUVQJP-QGZVFWFLSA-N 369.465 2.425 0 1 FEAF biogenic CCCCNc1ncc(C(=O)NCCNC(C)=O)c(-c2ccc(F)cc2)n1 82141270 IVUAGXCWJOUZHU-UHFFFAOYSA-N 373.432 2.361 0 1 FEAF C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCN 82086519 NCMNLHAOGFJXHD-SECBINFHSA-N 353.831 2.084 0 1 FEAF C/C=C1/CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@]4(CO)C(=O)OC 238748999 XLHUHYFKFFGUFE-TYLHBUMCSA-N 352.434 2.216 0 1 FEAF Oc1cccc([C@H](O)c2nc3cc(I)cnc3[nH]2)c1 586888192 BOUVLGBOHBNKBP-NSHDSACASA-N 367.146 2.350 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587230017 DSBYDUPLSBJDMX-KGLIPLIRSA-N 370.453 2.484 0 1 FEAF CCC1=C(C)N[C@H]2N(CCC[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)C1=O 587439797 WZZDNJNMNRVAPV-GQWLDOHISA-N 368.433 2.417 0 1 FEAF COC(=O)c1cc(Cl)c2[nH]c(CSc3nc(O)cc(O)n3)nc2c1 586966183 ANDFXCZFOHEKKN-UHFFFAOYSA-N 366.786 2.496 0 1 FEAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587971203 WCEOQLXKAHSAFY-RNLVFQAGSA-N 359.563 2.478 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(O)[C@H](O)[C@H]2C1 2356384979 DINUARVDSHDVLN-BWZIJETOSA-N 364.438 2.243 0 1 FEAF C[C@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)cc3n21 59536843 SHNZBTHVGXHLLD-IUCAKERBSA-N 363.414 2.043 0 1 FEAF COc1ccc2nc(C[C@@H]3CN(C(=O)C4CC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356305776 FFMDPHBSOGMMHO-UONOGXRCSA-N 371.437 2.463 0 1 FEAF CNC(=N)N1C=CC[C@]23[C@@H]4CC[C@@](C)(CC[C@@H]12)[C@]31C[C@H](O)C(C(=O)O)=C1C4 103524925 ZPRPKJYNUBYLDB-MBLRZLEQSA-N 371.481 2.461 0 1 FEAF biogenic,in-vitro COc1cc(NC(=O)c2cccc(NC(=N)N)c2)ccc1CCC(=O)O 29248087 XQUBDNIAAQZFBH-UHFFFAOYSA-N 356.382 2.270 0 1 FEAF COc1cc(C[C@H]2OCC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O 2356687478 RNXYRAQIZQGUIK-KBXCAEBGSA-N 358.390 2.484 0 1 FEAF O=C(Cc1cccs1)N[C@H]1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 3841243 HTMGDOLFVMFINJ-BBRMVZONSA-N 369.446 2.407 0 1 FEAF biogenic CC(=O)N1CCN(c2ncc(-c3ncc(C)o3)c(-c3ccco3)n2)CC1 82165731 PLZQJGBPZAJSJL-UHFFFAOYSA-N 353.382 2.369 0 1 FEAF CN1CCN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)CC1 147767966 PYDOJHLGPVUSNO-UHFFFAOYSA-N 360.421 2.494 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNC(=O)C2CC2)cc1 95895234 LDIOELSZPYZCLS-WFNMISLISA-N 356.466 2.311 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CNC(=O)C2CC2)cc1 95895235 LDIOELSZPYZCLS-GCANLIHPSA-N 356.466 2.311 0 1 FEAF Cc1cnc(Cl)c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc12 586930739 WRIHJBCYHXWFNB-UHFFFAOYSA-N 350.831 2.352 0 1 FEAF CC(=O)[C@H]1[C@@H](c2ccc3ncccc3c2)NC(=O)N[C@@]1(O)C(F)(F)F 12377577 JLCFJNZTUINILZ-GUTXKFCHSA-N 353.300 2.045 0 1 FEAF O=C(C1=C[C@H](C2CCCCC2)C[C@H](OCCCCO)O1)N1CCOCC1 13656787 JNEVOPKTGCJUJU-PKOBYXMFSA-N 367.486 2.461 0 3 FEAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(F)ccc3nc2-1 13832880 NCQUZXOIBJJVOM-FQEVSTJZSA-N 366.348 2.219 0 1 FEAF CC1=NC(=S)N[C@H](c2c(C)cc(C)cc2C)[C@@H]1C(=O)N1CCOCC1 169691257 OFQCIWCDSOMFTB-IAGOWNOFSA-N 359.495 2.477 0 1 FEAF CC(C)CC(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 201464839 NRUAXQGWMAZNJS-MRXNPFEDSA-N 360.454 2.227 0 3 FEAF N/C(=C\S)N(CCCCC(=O)O)C(=O)OC1CCC(C(=O)O)CC1 103529576 RVJFTXMCSWVIBW-FMIVXFBMSA-N 360.432 2.011 0 1 FEAF in-vitro CC(C)c1nccc(C[C@@H]2[C@H](NCc3ccccc3F)C[C@H](O)[C@H]2CO)n1 2356289061 OVROJTCYYNQQHS-XEYPJELSSA-N 373.472 2.429 0 1 FEAF COc1ccccc1CNC(=O)c1nc(-c2cccs2)[nH]c(=O)c1O 28820278 ATDMGAIFDCLGGH-UHFFFAOYSA-N 357.391 2.143 0 1 FEAF COc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(OC)cc1O)[C@@H](OC)C2=O 2356653688 HYLPFFLBZZFVCL-ROUUACIJSA-N 362.334 2.152 0 1 FEAF COc1ccc([C@@H]2c3ccc(O)cc3O[C@@H]3NC(=S)N=C(N)[C@H]32)cc1 195386632 RAZRZXQECDYJLN-INMHGKMJSA-N 355.419 2.113 0 1 FEAF CCc1[nH]c2nc(Oc3cncnc3)nc(N3C[C@H]4C(N)[C@H]4C3)c2c1Cl 95587674 YZRGALHCPBRTES-XFLKPENQSA-N 371.832 2.149 0 1 FEAF in-vitro C=CS(=O)(=O)N1CCN(Cc2cc(C)cc(OC(F)(F)F)c2)CC1 618020194 HENUEHWURWZYTG-UHFFFAOYSA-N 364.389 2.485 0 1 FEAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(=N)N)cc2[nH]1 587193515 CIOBPAVXAJWJDS-ZDUSSCGKSA-N 360.462 2.364 0 1 FEAF Cn1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)n1 587649877 MGFNVAWSHKMQII-UHFFFAOYSA-N 353.350 2.420 0 1 FEAF CCOC(=O)C(=O)C[C@]1(c2ccco2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451924 CBWHEVKVXAKGME-XCLFUZPHSA-N 370.357 2.453 0 1 FEAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587935282 HOSRRGZELJLKKW-PIGZYNQJSA-N 350.382 2.384 0 1 FEAF CCOC(=O)c1nocc1[C@@]1(C2CC2)N[C@H](C(=O)O)Cc2cccc(F)c21 962923587 RGOUOBPCSYMGSF-IFXJQAMLSA-N 374.368 2.243 0 1 FEAF Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(Cc2cccs2)CC1 207155433 TVMQVMPQEYUIGQ-UHFFFAOYSA-N 370.478 2.338 0 1 FEAF CS(=O)(=O)c1ccc(-c2cncc(/C=C3\SC(=N)NC3=O)c2)cc1 1857535763 JITAYSQVLSDQMN-AUWJEWJLSA-N 359.432 2.291 0 1 FEAF CN1CCN(c2cc(CN(C)[C@@H]3CCCc4cccnc43)ncn2)CC1 1857536349 LPTRCGOYHAYNCF-GOSISDBHSA-N 352.486 2.133 0 1 FEAF COc1ccccc1-n1c(O)nc2c(C(=N)NO)nc(-c3ccoc3)nc21 1857616931 OIELLSZMRHHJSO-UHFFFAOYSA-N 366.337 2.094 0 1 FEAF CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)c1c[nH]c2c(OC)cccc12 28771511 BHJKLRZKDBSSKN-GFCCVEGCSA-N 358.394 2.303 0 1 FEAF CCOc1cc([C@@H](CC(N)=O)N2C(=O)c3ccccc3C2=O)ccc1OC 26639073 VALGLZFTZIHPIT-OAHLLOKOSA-N 368.389 2.307 0 1 FEAF CC(C)(O)C=CC=C1COC(=O)[C@@H]2[C@H]1CC[C@@]1(C)C[C@@]2(O)CC[C@H]1O 2356393759 RYJGTWUENJOFBS-MHZKCTCGSA-N 350.455 2.105 0 1 FEAF C[C@H](O)CCC[C@H](O)CC[C@@H]1[C@@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)O 2356765940 ZMWWFDMBQLWCBL-LVEJAMMSSA-N 370.486 2.446 0 1 FEAF CC(C)(O)CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@H](O)C2=O 14762692 YUENQIMBXUVCLX-QZTJIDSGSA-N 374.389 2.184 0 1 FEAF biogenic CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](C)N3)cc1 82207133 JNJDVARGDUAIEG-ZDUSSCGKSA-N 358.442 2.416 0 1 FEAF CCCc1nc(C)c2c(NS(=O)(=O)CC)nc3ccc(OC)nc3n12 49037525 DKHVXRYXLGJJEQ-UHFFFAOYSA-N 363.443 2.309 0 1 FEAF CC[C@H]1Cn2c(c(NCC(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82208046 OYCACORSHPRXHG-HNNXBMFYSA-N 360.433 2.469 0 1 FEAF CCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O 45339930 LNUPSMNRUGXWSA-UHFFFAOYSA-N 350.378 2.138 0 1 FEAF O=C1c2ccccc2C(=O)N1CCOC(=S)NCCc1ccccc1 40940431 WACAEYBUVCJEJQ-UHFFFAOYSA-N 354.431 2.416 0 1 FEAF COc1cc(O)c2c(c1)O[C@H](C1(O)CCC(OC)(OC)CC1)CC2=O 238776749 WOMNCEDTLOKTIB-HNNXBMFYSA-N 352.383 2.029 0 1 FEAF S=C(SCc1cn(Cc2ccccc2Cl)nn1)N1CCNCC1 95591335 YOGPNHDKRXIQSK-UHFFFAOYSA-N 367.931 2.403 0 1 FEAF CC(=O)N[C@H]1CC[C@H](Nc2nccc(-n3nnc4ccccc43)n2)CC1 261117853 JANAZDXNIOBICQ-HDJSIYSDSA-N 351.414 2.070 0 1 FEAF CC(C)(C)OC(=O)N1C[C@H]2CCc3cc4c(O)nc(O)nc4nc3[C@H]2C1 587559299 WYXHVGLSENTXQI-PWSUYJOCSA-N 358.398 2.333 0 1 FEAF COC(=O)c1cc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2cn1 587247705 XOIYOCPVZJOIOD-IBGZPJMESA-N 352.394 2.096 0 1 FEAF NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 169307866 DVJVCYXKDBNYTL-UHFFFAOYSA-N 369.855 2.114 0 1 FEAF O=C(NCC1CCCC1)c1ccc(NC(=O)N2Cc3ccncc3C2)nn1 166783979 OLEDCXPTQLHJKH-UHFFFAOYSA-N 366.425 2.339 0 1 FEAF Cc1cnc(-c2nc(N3CCC(NC(=O)CO)CC3)ccc2Cl)c(C)c1 168155245 OXUFJDJVMRECDW-UHFFFAOYSA-N 374.872 2.491 0 1 FEAF CC(=O)[C@H](C(=O)NCc1ccccc1)N(CCc1ccccc1)C(C)=O 205861500 MBVWIXSUFXBKRF-HXUWFJFHSA-N 352.434 2.352 0 3 FEAF COc1ccc([C@@H]2CCN[C@@H]3[C@@H]2C(=O)NC(=O)N3Cc2ccco2)cc1 208262943 ORRKKGFYMWJWSW-BBWFWOEESA-N 355.394 2.059 0 1 FEAF Cc1cccc(-n2nc(COc3ccc(F)c(C(N)=O)c3F)oc2=O)c1 1857543905 FPUNOLMNQYMGRC-UHFFFAOYSA-N 361.304 2.090 0 1 FEAF C=C1C(=O)O[C@H]2C=C(C)CCC=C(C)C(=O)[C@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 253639783 QZRJGJCGCXCSOM-URJQKCCOSA-N 360.406 2.429 0 1 FEAF CNC[C@@H]1C=CN(C(=N)NC)C[C@@]12[C@H]1CC[C@@H](C)[C@@]23CCC(C(=O)O)=C3C1 2356363425 JPVNSRMWLRYAAZ-AZVDKKQPSA-N 372.513 2.403 0 1 FEAF C/C=C1\CN2[C@H]3C[C@H]4c5ccccc5N[C@H]4[C@H]2C[C@@H]1[C@]3(CO)C(=O)OC 103585572 OFQWNEQERHWDMW-LGEWPJPTSA-N 354.450 2.139 0 1 FEAF biogenic,in-vitro Brc1cc2c(cc1Br)O[C@@H](C1=NCCN1)CO2 27896012 XHIOJVWKZABRML-SNVBAGLBSA-N 362.021 2.353 0 1 FEAF O=C1NC(=O)C(=C(/C=C/c2ccccc2O)c2nc3ccccc3[nH]2)C(=O)N1 103183804 WSIOJYDAYUFSEM-MDZDMXLPSA-N 374.356 2.102 0 1 FEAF COc1ccc2c(c1O)C[C@@H](C(=O)O)N(C(=O)N(C)c1ccccc1)C2 27717235 SOTHQGUZFWOLKO-HNNXBMFYSA-N 356.378 2.469 0 1 FEAF O=C1N[C@H](C(=O)NCCO[N+](=O)[O-])[C@@H](c2cccc3ccccc23)S1 29327763 DXEYXBDSMGKKJY-UONOGXRCSA-N 361.379 2.030 0 1 FEAF CCOc1ccc(NC(=O)CN2CCN(CC(=O)C(C)(C)C)CC2)cc1 22033720 FGAKRMYSUHMEFK-UHFFFAOYSA-N 361.486 2.257 0 1 FEAF COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)ccc1O 2356676441 TYXKOPPRKGSRCN-FTNBBQJZSA-N 370.357 2.098 0 1 FEAF COC(=O)CCCC[C@@H](CC(=O)OC)c1ccc(S(=O)(=O)O)cc1 2356810720 BAVYDCGNSNHAIZ-ZDUSSCGKSA-N 358.412 2.313 0 1 FEAF COc1ccc2c(c1)OC[C@]1(O)c3ccc4c(c3O[C@H]21)C[C@H](O)C(C)(C)O4 15204415 QOXFATMGLMTFHP-DSKINZAPSA-N 370.401 2.483 0 1 FEAF biogenic CCOC(=O)C(=O)Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 40466878 ZRDBWVOTGBJKEL-UHFFFAOYSA-N 366.395 2.338 0 1 FEAF Nc1cnc(-c2ccc(-c3ccccc3S(N)(=O)=O)c(F)c2F)cn1 224682339 OTTZNBLAGZIPBZ-UHFFFAOYSA-N 362.361 2.318 0 1 FEAF Cc1cccc([C@@H]2CN(c3ccc(C(N)=O)c4ncncc34)C[C@H]2CO)c1 144387484 ZSNAABDJHCULQJ-YJBOKZPZSA-N 362.433 2.249 0 1 FEAF Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)no2)cn1 96175539 NCKPUAHDRNNIHZ-UHFFFAOYSA-N 374.408 2.374 0 1 FEAF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)C1 299880641 MQADOESZRUHDOX-ZIFCJYIRSA-N 367.405 2.108 0 1 FEAF O=C(NCCCc1ccccn1)c1ccc(N2CCN3CCC[C@@H]3C2)nc1 15074202 JOTMBJKWUGTHTK-LJQANCHMSA-N 365.481 2.124 0 1 FEAF CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)cc1 15944067 SSDWFZLSXNCPQA-AWEZNQCLSA-N 362.455 2.012 0 3 FEAF Nc1ncccc1-c1cc2c(-c3cccc(N4CCNCC4)n3)n[nH]c2cn1 205262169 CZLPPAMVDRHPPR-UHFFFAOYSA-N 372.436 2.074 0 1 FEAF O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1 2943539 YMOISUKBUIDFMU-UHFFFAOYSA-N 369.531 2.046 0 3 FEAF CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(C)(=O)=O)C3)cc1 101283328 FBNJVRUAGAYJEU-XKQJLSEDSA-N 366.483 2.472 0 1 FEAF CC(=O)N1C(=O)[C@@H](C)[C@H]2[C@@H]1CCN2C(=O)Cc1c(C)[nH]c2ccc(F)cc12 29475230 LBKQDOBRGQSPSS-NFSSXHDISA-N 371.412 2.152 0 1 FEAF COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CCN(c2ccccn2)CC1 28635521 JGRTUMOIEPJXEV-NQIIRXRSSA-N 351.450 2.335 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H](CNC)C3)c(F)c21 27518795 WOAPETLCLZLWBZ-SNVBAGLBSA-N 365.380 2.044 0 1 FEAF Cc1ncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)cn1 34837440 ADMKRAXLUPXUIU-UHFFFAOYSA-N 353.455 2.457 0 1 FEAF CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2C)S1(=O)=O 49034464 HSMMZWQHSZFBQK-HNNXBMFYSA-N 361.467 2.168 0 1 FEAF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1nccs1)C2 95794662 LJZMEIMDYJOHJD-CRAIPNDOSA-N 357.479 2.094 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2ccc(Br)s2)CC1 618020249 RECACJOARIJGQZ-UHFFFAOYSA-N 351.291 2.102 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cnn(C)c2)N1 587764145 OMLZIITVJPILKK-AYVTZFPOSA-N 368.206 2.184 0 1 FEAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnnc(O)c2[nH]1 587112039 GHKNPSCZHIJQOL-HNNXBMFYSA-N 365.315 2.477 0 1 FEAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(S(C)(=O)=O)cc3[nH]1)C2 587247356 PWXSDVGVHONOBM-LJQANCHMSA-N 371.462 2.318 0 1 FEAF COc1ccc([C@H]2CC(=O)c3c(O)cc(OCC(=O)O)cc3O2)cc1O 6018551 WGFNTUUKZPGDER-OAHLLOKOSA-N 360.318 2.276 0 1 FEAF CC1(C)[C@@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F 27423174 ZCPDJNYYTBMQDW-LBPRGKRZSA-N 363.364 2.239 0 1 FEAF COc1ccc(-c2cn3c(n2)CO[C@H](CNC(=O)c2cccnc2)C3)cc1 2356321995 MXNMNEAWLIZXFL-QGZVFWFLSA-N 364.405 2.283 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)O 2356675393 UBWZMPMLSDJDSU-KCTOORRSSA-N 370.486 2.014 0 1 FEAF CCCCc1cc(O)cc2c1C(=O)C[C@](O)(Cc1cc(O)cc(=O)o1)O2 2356765804 PQQOYLHBCJNDOC-IBGZPJMESA-N 360.362 2.290 0 1 FEAF O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)c1ccccc1 72174843 CBFRSBJEVFNAET-GOSISDBHSA-N 373.453 2.320 0 1 FEAF C[C@@]1(c2cc([N+](=O)[O-])ccc2F)CS(=O)(=O)C2(CCCC2)C(N)=N1 217742353 AMKVFRZWMZCNRI-AWEZNQCLSA-N 355.391 2.048 0 1 FEAF C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@H](C)[C@H](C)O)=C/C[C@H]12 139654061 JTFXNPPZNWSQAJ-WYHDNDJXSA-N 364.438 2.063 0 1 FEAF O=C(O[C@H]1CCCC[C@@H]1n1cc(CN2CCOCC2)nn1)c1ccccc1 82157469 PNRUIYWEALQFKP-OALUTQOASA-N 370.453 2.451 0 1 FEAF C[C@@H](n1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)ncnc21)C(C)(C)C 40943124 KHUUGXGWBNYRAZ-MRVPVSSYSA-N 365.330 2.079 0 1 FEAF CNC(=O)[C@@H](C)C(C)(C)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 149228555 QXOSSLGIOAMEQB-SNVBAGLBSA-N 353.850 2.414 0 1 FEAF C/C(=C\Cc1c(O)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1O)CO2)CO 140084290 JLXNQYUNQWGLQD-JFOHCBSWSA-N 372.373 2.349 0 1 FEAF O[C@H]1CC(CNCc2ccc(Cl)cc2)(COc2cccnc2)C[C@@H]1O 299843216 OKWCSJBXDWYHKC-ROUUACIJSA-N 362.857 2.406 0 1 FEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccnc(Cl)c2[nH]1 586929858 HLXAPKLSDXIDQX-UHFFFAOYSA-N 352.803 2.146 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)nc2O)N1 587776875 YUOXBFXKKOPKFY-INWYIAFRSA-N 354.179 2.413 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 587231292 NKDSCTXWIFLOHW-VHSXEESVSA-N 371.363 2.360 0 1 FEAF CCOC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1cccnc1 587650708 BWGLUZVFQZAFIR-UHFFFAOYSA-N 372.402 2.374 0 1 FEAF COC(=O)c1cccc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c12 586920027 DHNSOWGPJNSKQB-UHFFFAOYSA-N 360.391 2.332 0 1 FEAF O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1(NS(=O)(=O)c2cccc(Cl)c2)CC1 1772632913 RANKTIHWRDBECF-SLEUVZQESA-N 368.886 2.456 0 1 FEAF CC(C)Oc1cccc(-c2cc(NC(=O)[C@H]3CN(C#N)CCO3)ncn2)c1 1857607300 PPHSDVSKLAXMNM-QGZVFWFLSA-N 367.409 2.051 0 1 FEAF CCC(CC)C(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)NC3CCCCC3)CO[C@H]21 25213010 JZCGLYIEXJPJIT-LTIDMASMSA-N 368.474 2.133 0 1 FEAF biogenic C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C1COC(=O)[C@@H]1[C@H]1C=CCC[C@@]12O 2356702488 FXVBMGQWXZLTBS-YSTXNKLSSA-N 356.374 2.454 0 1 FEAF COc1ncc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)cc1F 114521581 JYIYDFDRQAREDE-UHFFFAOYSA-N 366.360 2.363 0 1 FEAF CN(C)c1ccccc1-c1cccc2[nH]c(C(=O)NC[C@H](N)C(=O)O)cc12 43070431 JRBWIGUESNCWLI-HNNXBMFYSA-N 366.421 2.043 0 1 FEAF C[C@@H](c1nc2ccccc2c(=O)n1C)N1CCN(C(=O)C(C)(C)C)CC1 45371249 XNTHFEOSOOTEMV-AWEZNQCLSA-N 356.470 2.185 0 1 FEAF COCCCNc1ncc(C(=O)N2CCOCC2)c(-c2cccc(C)c2)n1 82145109 YJWCHFTZWQCVQD-UHFFFAOYSA-N 370.453 2.373 0 1 FEAF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](O)[C@@H]2CCCC[C@H]12 195351422 OXOQFLQOQYZUGT-OGHNNQOOSA-N 364.833 2.437 0 1 FEAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@@H]2CS1 261176983 VBXCGICXNVLUFX-ICDUWSABSA-N 352.366 2.382 0 1 FEAF COc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)n1 587742519 AJECNKOJFPMQGK-CPFSXVBKSA-N 367.222 2.593 0 1 FEAF Cc1ncsc1CCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587028119 OJOWMSRFJPPIFT-UHFFFAOYSA-N 350.469 2.363 0 1 FEAF CN(C)S(=O)(=O)c1ccc(-c2nc3ncc(Br)cc3[nH]2)o1 586931857 MQIYJMLWSVDQNQ-UHFFFAOYSA-N 371.216 2.231 0 1 FEAF COc1ccc(Cl)c2c1CCN[C@]21CC(=O)N2CCCC2=C1C(=O)O 963259051 QZPFOLBNIIXTDX-GOSISDBHSA-N 362.813 2.054 0 1 FEAF O=C(C1=C[C@@H](c2ccccc2)C[C@@H](OCCCCO)O1)N1CCOCC1 13118601 WWGCWYYXPOQSOG-MJGOQNOKSA-N 361.438 2.048 0 3 FEAF CNc1ccccc1C(=O)O[C@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@]3(OCCCN31)[C@H]6[C@H]52 169290840 DEVSVQLQYSWGQG-OCKQPEHESA-N 364.445 2.401 0 1 FEAF O=C(c1ccccc1O)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccncc1 827406 ICVXEQNTJNNWBG-OAHLLOKOSA-N 351.284 2.397 0 1 FEAF O=C1N(Cc2ccc(F)cc2)C[C@@H]2CN(Cc3ccncc3F)CCN12 2356287411 ILSIIDZFVRYSOX-KRWDZBQOSA-N 358.392 2.482 0 1 FEAF COC(=O)Cn1c(=O)c(O)nc2cc(C(F)(F)F)c(-n3cccc3)cc21 26726068 HENGYPSXLARPEG-UHFFFAOYSA-N 367.283 2.085 0 1 FEAF COC(=O)C1=C[C@@H]2[C@H](O)[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2[C@@H](C)O1 2356687276 KHMWMNSPWIVDFD-UOFGYJLWSA-N 368.433 2.150 0 1 FEAF CC(C)CN1CCC[C@@H]1c1nc(C2=CN[C](N3CCOCC3)C=C2)no1 2356849058 DXSNJXKQUYLFEA-MRXNPFEDSA-N 358.466 2.184 0 1 FEAF CCc1nc(Cl)c(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)[nH]1 35930658 CBZWBJNQILAVLW-UHFFFAOYSA-N 353.806 2.206 0 1 FEAF COc1cc(C[C@@H]2COC(=O)[C@H]2[C@@H](O)c2ccc(O)c(OC)c2)ccc1O 14646876 ZZSOKNNVDKKSDE-ZNOIYHFQSA-N 374.389 2.180 0 1 FEAF biogenic C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CCC(=O)[C@@H](C)[C@@]21C 86010772 WKMBTXJFBQEZHO-ZQHJAWSHSA-N 362.422 2.452 0 1 FEAF in-man Nc1nccc(-c2cc3c([nH]2)[C@H](CCOCc2ccccc2)CNC3=O)n1 40974968 QUGLBFISIMJWOG-CQSZACIVSA-N 363.421 2.488 0 1 FEAF C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@H](OC(=O)/C(C)=C/CO)C1 238767111 CFUOHDSKOJEYFL-HXLFSQCRSA-N 364.438 2.063 0 1 FEAF CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1[C@H]1C[C@H]2CC[C@H]1C2 254133187 UTCQOVZSZNFTKB-HUBLWGQQSA-N 373.482 2.365 0 1 FEAF COc1cc2c(cc1OC)[C@@H]1C(C)=c3ccc(OC)c(OC)c3=CN1CC2 31950054 XSFMNCMPWRTCIV-NRFANRHFSA-N 367.445 2.243 0 1 FEAF biogenic COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(N)(=O)=O)cc1)[C@@H](C2)C3=O 587447481 AKJQIYRDUPPKBN-KSSFIOAISA-N 359.403 2.005 0 1 FEAF COc1nc(N)nc(N2CCCC2)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587396860 WODNSRNMAPPRMI-CQSZACIVSA-N 369.425 2.265 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CCO[C@H]2C3)N1 587789562 DVHBQVKCAKKQSH-HPEXNQPKSA-N 355.251 2.422 0 1 FEAF CN1CCc2cnn(C)c2[C@H]1c1ccc(OCCO)cc1Br 963956573 YPJUQPHAJMZBIT-MRXNPFEDSA-N 366.259 2.131 0 1 FEAF O=S1(=O)CC[C@@]2(NCCc3nc4ccccn4c32)c2cccc(F)c21 962981887 GNWMXBISGACEPY-GOSISDBHSA-N 357.410 2.040 0 1 FEAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCC[C@@H]2Cn2cncn2)N1 963230876 QKWIERINJXEYQH-ORPRQENYSA-N 363.421 2.121 0 1 FEAF O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN(c2ccnc3ncnn23)C1 1772587766 VKVZSAKDZAIGAN-INIZCTEOSA-N 362.437 2.468 0 1 FEAF COc1ccc(N[C@@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)cc1 12313793 NYQFBCMHMCFNNH-MRXNPFEDSA-N 358.442 2.144 0 3 FEAF O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCN(c2cccc(Cl)c2)CC1 15063612 XJQHUTAXVVIVKA-AWEZNQCLSA-N 361.873 2.390 0 3 FEAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@@H](NCC2CCCCC2)C[C@H]1O 2356359868 UMEQMMQEFRXSEK-LWYYNNOASA-N 359.514 2.424 0 1 FEAF COc1cccc(-c2nc3n(n2)[C@@H](c2ccccn2)C(C(N)=O)=C(C)N3)c1 4139213 UKFDGNSZXRDCFB-INIZCTEOSA-N 362.393 2.123 0 1 FEAF O=C1C=CC[C@H](C=CC[C@H](O)C[C@@H](O)C[C@@H](O)CCc2ccccc2)O1 2356518702 YZNUQTVBWSAEBN-HAGHYFMRSA-N 360.450 2.300 0 1 FEAF C[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O)[C@H]1CCC1=C[C@](C)([C@H](O)CO)CC[C@H]12 2356667262 UWBQESXNYLGFQE-DVIXLVCNSA-N 352.471 2.344 0 1 FEAF O=C(O)[C@H](Cc1ccc2c(c1)OCO2)[C@@H](CO)Cc1ccc2c(c1)OCO2 2356677086 GQXLKZICLHKEQT-HUUCEWRRSA-N 372.373 2.239 0 1 FEAF CCCC(=O)NC(CC(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC 26652977 RDEFHBPGVXLMKA-UHFFFAOYSA-N 363.410 2.041 0 1 FEAF CC(C)(C)c1cc2nc(NCCc3ccc(S(N)(=O)=O)cc3)ccn2n1 61907015 XEUBVBJWFSSLSE-UHFFFAOYSA-N 373.482 2.329 0 3 FEAF CC[C@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)NCCN(C)C 5433988 KKDVLEITXHMZHM-IRXDYDNUSA-N 366.550 2.445 0 1 FEAF biogenic COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc(O)c(O)c2)cc(O)c1O 14646673 DQYAPSICKNYXBG-OLZOCXBDSA-N 360.362 2.092 0 1 FEAF biogenic CCc1cccc(OCCNCCCCN2C(=O)[C@H]3CCCN3C2=O)c1 35950285 YBUYXQMPODPDDW-GOSISDBHSA-N 359.470 2.424 0 1 FEAF CN1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)CC1 221104436 QXJXXGMUXGGKKC-UHFFFAOYSA-N 374.452 2.172 0 1 FEAF CCOC(=O)Cc1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1 84757064 WREJGORMWWLEPL-ZDUSSCGKSA-N 368.393 2.284 0 1 FEAF O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 95866583 RAYDGCHDHSNKNZ-QUCCMNQESA-N 368.477 2.155 0 1 FEAF CC(=O)O[C@H](CCCCC[C@H](O)[C@H](O)CCCCCCO)CC(=O)O 238778933 BCSLIHBDUIHHTK-ZACQAIPSSA-N 362.463 2.008 0 1 FEAF CCOc1ccc2nc(S[C@H](C)C(=O)NS(C)(=O)=O)sc2c1 95576623 JFVSEGVRRFTMCD-MRVPVSSYSA-N 360.482 2.251 0 1 FEAF CCc1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 586941097 FQBCFPNHYHTYFC-UHFFFAOYSA-N 373.434 2.375 0 1 FEAF COc1nccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c12 586940873 ITRPMLRSLSTQNY-CSKARUKUSA-N 358.423 2.365 0 1 FEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)c(F)cc2[nH]1 586959669 STICRFMVPSBSEW-HNNXBMFYSA-N 353.350 2.310 0 1 FEAF Cc1[nH]c2cc(F)ccc2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O 587636970 RDQIWFBWDJQNAY-IAGOWNOFSA-N 371.416 2.110 0 1 FEAF Cc1ccsc1S(=O)(=O)N[C@@H]1CCCc2nc(N(C)C)ncc21 12591338 MJMHCRQNZUGNOJ-CYBMUJFWSA-N 352.485 2.268 0 1 FEAF O=C(O)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1 13118580 GFIOTMSYYYNQDS-YVEFUNNKSA-N 360.362 2.381 0 3 FEAF CCCc1ccc(C(=O)OC)cc1CCn1cnc2c1NC=NC[C@H]2O 13807670 JCGVGGSVGRTHFI-MRXNPFEDSA-N 356.426 2.352 0 1 FEAF CC(C)N1CCN(C(=O)c2cc3[nH]c(=O)c4ccccc4c3n2C)CC1 169352934 RVSBRHXVUBEDKU-UHFFFAOYSA-N 352.438 2.186 0 1 FEAF CCCCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@@]23C=C[C@H]1O3 169355445 AVMYCGJNQUPEPM-IIMDRIAPSA-N 354.450 2.193 0 3 FEAF O=C(NC[C@H]1CCOC1)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166942164 NMCYAUBBAQOWDP-CQSZACIVSA-N 366.421 2.396 0 1 FEAF O=c1c2cc(-c3ccccc3)n(-c3ccccc3)c2ncn1C[C@H](O)CO 1857770951 HLOANKFJZOKFDO-KRWDZBQOSA-N 361.401 2.207 0 1 FEAF N[C@@H]1C[C@@H]2CCCc3c(c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c34)N2C1 113154305 WSSQECFOHWIOCC-PWSUYJOCSA-N 371.412 2.416 0 1 FEAF CC[C@@H]1[C@H](O)C[C@]2(O[C@@H]1C)O[C@H]([C@H](C)C=CC(=O)O)[C@H](C)[C@@H](O)[C@H]2C 2356328627 YCCKJDBCKPNDFZ-CWLQRPMOSA-N 356.459 2.187 0 1 FEAF COC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1CCN(c2ccccn2)CC1 28635524 JGRTUMOIEPJXEV-GHTZIAJQSA-N 351.450 2.335 0 1 FEAF Cc1ccc(C[n+]2c(Cc3cccnc3)sc(CCO)c2C)c(N)n1 29125716 AQDRMLZILQZWKT-UHFFFAOYSA-N 355.487 2.199 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3[C@@H]3OC[C@@H]1[C@]23C 2356481632 WLEGVCDLXXAIOU-NSOKOSIWSA-N 362.422 2.261 0 1 FEAF C[C@@]12c3ccc4c(c3CN[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3)OCO4 33831974 URURFJJXWHZUAJ-IHPCNDPISA-N 353.374 2.163 0 1 FEAF C=CC(=O)N[C@@H]1[C@@H](NCC(C)C)CC(C(=O)O)=C[C@H]1OC(CC)CC 73291906 QFLNYNYOPCIRQH-LZLYRXPVSA-N 352.475 2.260 0 1 FEAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)[C@@H]5C[C@]4(C(=O)O5)[C@H]3CC[C@]12C 137580317 MUDOTJJLSYDVMT-GFZYIKHHSA-N 360.450 2.002 0 1 FEAF Cc1cc(C)nc(SCC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)n1 84602494 GMUOUKSISIODEJ-UHFFFAOYSA-N 371.871 2.369 0 1 FEAF in-vitro CC(=O)N1CCCN([C@H](C(=O)O)c2ccccc2OC(F)(F)F)CC1 95382745 YOIPUPNCZWKQSJ-AWEZNQCLSA-N 360.332 2.265 0 1 FEAF COC(=O)[C@@H]1C[C@]23CCCN4C(=O)C[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 238768948 WFJBTNPOCXBGRV-MWGPDUTGSA-N 352.434 2.457 0 1 FEAF CC(C)CCC[C@H](O)CCCCCCC(=O)CCN(O)C(=O)[C@H](N)CO 85997213 KIWYWXQHSMRGDU-SJLPKXTDSA-N 374.522 2.011 0 1 FEAF biogenic Cc1cccc(CN2C[C@H]3COC[C@@]3(CNC(=O)c3ccccc3)C2)n1 299843112 MLPWBQRUEHEDGP-GHTZIAJQSA-N 351.450 2.268 0 1 FEAF Cc1cc(-c2nc3c(O)nncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587126219 WESKKCVZBNADOA-UHFFFAOYSA-N 373.316 2.295 0 1 FEAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587059138 OSGRDAXPJSCRJB-LBPRGKRZSA-N 350.831 2.106 0 1 FEAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 586950343 UVAUAMBSKDLIRS-INIZCTEOSA-N 359.411 2.249 0 1 FEAF Cn1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587581217 KXLGYVSGCLGLAV-KXBFYZLASA-N 366.329 2.067 0 1 FEAF O=S(=O)(c1ncccc1-c1nc2cnc(Cl)[nH]c-2n1)C(F)(F)F 587127216 OXXGXLMLBXRDDG-UHFFFAOYSA-N 363.708 2.313 0 1 FEAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(Br)ncc3[nH]2)c1 587260330 VJDZPQWPXUDWGG-JTQLQIEISA-N 360.215 2.062 0 1 FEAF Cc1ccc(NC(=O)[C@H]2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C 1772636595 HWDZSUDZPNEAPB-HNNXBMFYSA-N 351.362 2.141 0 1 FEAF NC(=O)c1ccc(N2CCCCC2)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 13285104 PZLHHNNDLKIJFJ-GGNLRSJOSA-N 365.433 2.087 0 1 FEAF Nc1nc(O)c2ncn(CCCCCCCCCCP(=O)(O)O)c2n1 13604163 USQGLMQRKBGWGQ-UHFFFAOYSA-N 371.378 2.413 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@@]12O 14782019 YJYOZSCSGANKMP-VHYHKOJVSA-N 364.438 2.387 0 1 FEAF O=C1c2ccccc2C(=O)N1c1nc2nc(-c3ccccc3)cc(O)n2n1 2849339 VXPMFXCIGDMRRS-UHFFFAOYSA-N 357.329 2.298 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Oc1cccc2cccnc12 4977879 KKGUIGJTXRCKEZ-DACLVMHWSA-N 362.385 2.337 0 1 FEAF Cn1ccc(CC(=O)N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)c1 12307965 ONWHPFASYRSPHF-QGZVFWFLSA-N 355.438 2.442 0 1 FEAF COc1cc(O)c2c(c1OC)O[C@H](c1ccccc1OC(C)=O)[C@@H](O)C2=O 14643382 AOIYAWYKBDWNBB-DLBZAZTESA-N 374.345 2.012 0 1 FEAF biogenic O=c1oc2ncccc2n1CCCN1CCN(c2ccc(F)cc2)CC1 28754763 LGJQDEWBYUIPAE-UHFFFAOYSA-N 356.401 2.341 0 1 FEAF C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25 33985290 HAGBWVNSVWLTKY-ZFWLQQAWSA-N 366.461 2.314 0 1 FEAF CN1CC(N)=N[C@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1=O 72318808 MRYFMHAPTQCQLE-GOSISDBHSA-N 371.828 2.032 0 1 FEAF in-vitro COC(=O)[C@H](c1ccc(N)c(I)c1)[C@H]1CCCCN1 84669255 VOLHNEGPSRUZLZ-CHWSQXEVSA-N 374.222 2.272 0 1 FEAF COc1c(C)c2c(c(OC)c1C/C=C(/C)[C@@H](O)CC(=O)O)C(=O)OC2 210808112 FLHIJSDWAVXPEH-QGOGUYACSA-N 350.367 2.007 0 1 FEAF COc1cc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)oc2cc1O 299832294 LLXHBBVDYRMRQX-UHFFFAOYSA-N 355.346 2.185 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3nnnn3C)c1)O2 587392039 QLTIRKOJVSFRDR-QGZVFWFLSA-N 365.393 2.386 0 1 FEAF COc1cc2c3c(c1)O[C@@](c1cc4ccccc4o1)(C(O)O)[C@@H](C2)C3=O 587457130 ZMXZMPYELIJKBK-RBZFPXEDSA-N 352.342 2.395 0 1 FEAF O=C1C=C(C(F)(F)F)N[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)N1 587502870 BSACVHUQVPLGEA-SUMWQHHRSA-N 366.339 2.391 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c(=O)cn2)N1 587774186 SZZJQZYBLYJNAS-GLEZIHRCSA-N 352.207 2.469 0 1 FEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCS(=O)(=O)C1 587872774 QKBIIDJYRYQFFI-GFCCVEGCSA-N 352.387 2.163 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@H]1[C@@H]2CC(=CCCCC(=O)O)O[C@H]2C[C@H]1O 2356340451 PGRXDTJFXIPRSO-KCCGOUDNSA-N 368.470 2.379 0 1 FEAF O=C(CCS(=O)(=O)c1cccc2nsnc12)NCc1ccccc1 3665212 QJDJWZLKQZPDSQ-UHFFFAOYSA-N 361.448 2.172 0 3 FEAF C[C@@H]1CCCCN1C(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4479658 SRJDLWQYOPSOMA-KGLIPLIRSA-N 359.426 2.147 0 3 FEAF COc1ccc(-c2cn(Cc3ccc(C(N)=O)cc3)c(CCN)n2)cc1 36387397 AEWHHFXJHREZLV-UHFFFAOYSA-N 350.422 2.207 0 3 FEAF Nc1cc2cc(C(=O)O)nc(C(=O)c3ccc4c(c3)OCO4)c2cc1O 13490173 ODHUZLUMEIWOBW-UHFFFAOYSA-N 352.302 2.181 0 1 FEAF Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1[C@H](O)c1ccc(Cl)cc1 25963907 YOMWDCALSDWFSV-QGZVFWFLSA-N 357.797 2.273 0 1 FEAF C[C@@H](Cn1ccnc1)Cn1c(=O)[nH]c2c(C(F)(F)F)cccc2c1=O 26391437 MOSWNOVGQALAHL-JTQLQIEISA-N 352.316 2.241 0 1 FEAF CCOC(=O)c1cnn2c1n[n+]([O-])c1ccc(Oc3ccccc3)cc12 43015173 HRZIZHWGOUFXKN-UHFFFAOYSA-N 350.334 2.485 0 1 FEAF Nc1ccccc1-c1nnc(C(=O)NCc2cccc3nsnc23)o1 43022853 UPJYVJFPLZSUIS-UHFFFAOYSA-N 352.379 2.254 0 1 FEAF O=c1nc2c(c[nH]1)[C@@H]1CCC[C@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 58523484 XATGEBFFLWFKNJ-ABAIWWIYSA-N 365.842 2.264 0 1 FEAF CC[C@@H](C)Nc1ncc(C(=O)NCCNC(C)=O)c(-c2ccc(F)cc2)n1 82141633 QLVUJVBLVPIYSH-GFCCVEGCSA-N 373.432 2.359 0 1 FEAF Cc1ccc2c(c1)[n+]([O-])c(C(=O)NCc1ccc(Cl)cc1)c(C)[n+]2[O-] 101427629 RJMCBYITEMBAEM-UHFFFAOYSA-N 357.797 2.307 0 1 FEAF CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@H]3CCC[C@H]4[C@@H](O)C(C(=O)O)=C(C1)[C@@]342 103524919 NZESTHCXDKJCAK-IZZYAACDSA-N 371.481 2.318 0 1 FEAF biogenic,in-vitro C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1O 114813100 GZMDTMLCGYJSFR-AATRIKPKSA-N 374.345 2.413 0 1 FEAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccnc(O)c3[nH]2)cc1 587227963 CCYJJLQELSLUTI-UHFFFAOYSA-N 355.354 2.162 0 1 FEAF CCC1=C(C)N[C@@H]2N(CCC[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)C1=O 587439801 WZZDNJNMNRVAPV-LPTQZCDUSA-N 368.433 2.417 0 1 FEAF CCOC(=O)C[C@@]1(c2cnccn2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963605639 GUCMFJPUAABUJH-RBZFPXEDSA-N 371.437 2.225 0 1 FEAF OC1CCN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)CC1 1772592563 WKAMIJRMXKYGSN-HDJSIYSDSA-N 354.458 2.336 0 1 FEAF CC1([C@H]2CC(=O)N(CCOc3ccc(F)cc3)C2)CCS(=O)(=O)CC1 1772616358 RGEYJRHMGGUDMY-AWEZNQCLSA-N 369.458 2.268 0 1 FEAF O=C(O)c1cc(-c2[nH]c3ccccc3c(=O)c2O)ccc1N1CCOCC1 1772654045 REYDOWUGQFICLN-UHFFFAOYSA-N 366.373 2.436 0 1 FEAF CN1C(=O)[C@H]2C[C@@H](CN2C(=O)COc2ccccc2)Oc2ccccc21 2356301508 ATJVNCAJTICVRD-DOTOQJQBSA-N 352.390 2.090 0 1 FEAF CCN1C[C@@]2(C)CCC[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2O 2356773210 TWAXKDVWAOGBCE-HHJZZQSJSA-N 361.526 2.280 0 1 FEAF CCOC(=O)CCNC(=O)c1[nH]cc(Br)c1Br 2356785613 AKULFBVARCCFHL-UHFFFAOYSA-N 368.025 2.223 0 1 FEAF 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COC(=O)[C@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@H]4CCN3C[C@H]2[C@@H](C)O[C@H]1O 2356416185 KVUXCGFGKOCLAE-CFQBMMHJSA-N 370.449 2.093 0 1 FEAF CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(C)s3)c(F)c2)C(=O)O1 27420724 IJLLVPLBGFZASJ-NSHDSACASA-N 350.375 2.114 0 1 FEAF CC(C)=CCc1c(O)c(C)c(O)c2c1[C@H]([C@@]1(C)C[C@H](O)C(=O)O1)OC2=O 2356619273 YZBQWOKLCWGSMK-YARKZXGKSA-N 362.378 2.193 0 1 FEAF CSc1ncn(C)c1C[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccc(O)cc21 2356787713 BPUUFIFWXQFNLA-KGLIPLIRSA-N 372.450 2.212 0 1 FEAF CS(=O)(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72185029 PAXYFQVPOZBQCN-QGZVFWFLSA-N 365.886 2.402 0 1 FEAF Cc1ccc(S(=O)(=O)Oc2ccc(C3=NO[C@@H]4CN(C)C[C@@H]34)cc2)cc1 73167872 WGUDHIHKQGIMPM-QZTJIDSGSA-N 372.446 2.427 0 1 FEAF COCCCNc1ncc(C(=O)NCCOC)c(-c2ccccc2F)n1 82152732 YRDRWLLYIKICKI-UHFFFAOYSA-N 362.405 2.107 0 1 FEAF O=C(CCCn1ccc(=O)[nH]c1=O)NC(c1ccccc1)c1ccccc1 84653700 OZGDJGXFEZAUFE-UHFFFAOYSA-N 363.417 2.223 0 1 FEAF COC(=O)C1=CO[C@@H](C)[C@@H]2CCN3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3[C@H]12 238778430 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C[C@H](/C=C\[C@@](C)(O)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C 238789468 KJLCZLBABYCKPW-BJTHSKCWSA-N 364.482 2.494 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)[C@H](O)[C@H]2C1 238767354 DINUARVDSHDVLN-YWSULJPHSA-N 364.438 2.243 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 618017142 GHSHTESCNBFZCN-UHFFFAOYSA-N 350.362 2.176 0 1 FEAF COc1cccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c12 586931882 ODZDDITYWODANH-UHFFFAOYSA-N 361.423 2.401 0 1 FEAF CC1=C(c2ccc3nc(C(C)(C)SCC(=O)O)[nH]c3c2)NNC(=O)C1 586958273 AUBGVKSLXBRZOK-UHFFFAOYSA-N 360.439 2.371 0 1 FEAF O=C(O)CCn1c(=O)oc2cc(OCCN3CCCC3)c(Cl)cc21 1772586764 XIJSWGUWEPMOOW-UHFFFAOYSA-N 354.790 2.197 0 1 FEAF O=C(O)CCc1c(C(=O)O)[nH]c2cccc(I)c12 103297415 OZTRKLQNMQQBRN-UHFFFAOYSA-N 359.119 2.488 0 1 FEAF CCC(=O)NC1CCN(CCCN2C(=O)CCc3c(F)cccc32)CC1 64750435 DLFUGKHAXCDUHH-UHFFFAOYSA-N 361.461 2.486 0 1 FEAF CCNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O 49034992 VGSAURUBNJSRDU-INIZCTEOSA-N 361.467 2.250 0 1 FEAF Cc1ccc2nc(C)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)n2c1 96917482 ZQAKGEQZKXZMJW-UHFFFAOYSA-N 357.435 2.285 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587232243 URKJTGCXNVJCRZ-WDEREUQCSA-N 363.389 2.437 0 1 FEAF COc1c(C)cc(O)n1-c1nn(-c2ncccn2)cc1Br 587942152 ZKYZVIBSBBTFOC-UHFFFAOYSA-N 350.176 2.238 0 1 FEAF CCOC(=O)C(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599602 YERYBJNWYMCRLG-KUHUBIRLSA-N 356.330 2.245 0 1 FEAF CCCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C 13536985 UPQVZWJFKAITKW-HUUCEWRRSA-N 357.495 2.040 0 1 FEAF COCCC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1 164795438 ZANUIRZPPYZCJN-UHFFFAOYSA-N 363.381 2.385 0 1 FEAF CN(c1ccc(O)cc1)[C@@H]1NC(=O)/C(=C2/C(=O)Nc3ccccc32)S1 1857553024 KPFLVPXFCITRRP-OUFNUQFJSA-N 353.403 2.338 0 1 FEAF CCOc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1 932040 WLOQOIPSMTWDGU-UHFFFAOYSA-N 366.377 2.393 0 3 FEAF aggregator Cc1ccc(N(C(=O)[C@@H]2CCCO2)[C@H]2C=CS(=O)(=O)C2)cc1Cl 4111020 BWJGKXSXCKFCJH-ZFWWWQNUSA-N 355.843 2.471 0 3 FEAF O=C(NC1CCCCC1)[C@H]1CCCN(c2nnnn2-c2ccccc2)C1 4354193 IDNKLTARJAWKAT-HNNXBMFYSA-N 354.458 2.328 0 3 FEAF C[C@@H]1C(=O)[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@]2(O)C[C@H](O)[C@H]1C3 2356419157 IZIVAPRKBMMUKE-DKEICQLOSA-N 350.455 2.385 0 1 FEAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNC1CCNCC1 2356388129 SOQNDURPZAFEEX-QKNQBKEWSA-N 371.481 2.134 0 1 FEAF CCOC(=O)[C@H](C)Sc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1 104107817 NLDJIFYZTREOHA-VIFPVBQESA-N 362.386 2.243 0 3 FEAF O=c1ccc(-c2cncnc2)c2n1C[C@H]1C[C@H]2CN(Cc2ccccn2)C1 2356864544 VWBOOOGQNITDTP-HOTGVXAUSA-N 359.433 2.320 0 1 FEAF COc1ccc2c(c1)C(=O)C[C@H](CCN1CCC3(CC1)NC(=O)N=C3O)C2 28469423 PWWDJTRMFFMPHB-CYBMUJFWSA-N 371.437 2.345 0 1 FEAF CC[C@@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(C)cc2)C1=O 36382423 BKCMRTYZVWAGCC-INIZCTEOSA-N 367.453 2.359 0 3 FEAF Cc1nc2ccccc2c(=O)n1CCCNC(=O)[C@H]1CC(C)(C)NC1(C)C 40631677 VHNWHFLUIVDGSH-MRXNPFEDSA-N 370.497 2.378 0 1 FEAF COC[C@H](C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)nc2C)c1=O 49037618 LAAWBFWBHQSUQH-OAHLLOKOSA-N 359.430 2.308 0 1 FEAF C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]34C[C@@H](O[C@H]4O)[C@@H]12 31555054 QUQBHBRVKLEOEI-VCBYICTRSA-N 360.450 2.003 0 1 FEAF biogenic Cc1nc(C)c(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)s1 587010936 FTIMGRRNXPZHGM-UHFFFAOYSA-N 350.469 2.477 0 1 FEAF Cc1c(Br)cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1C 587970511 IYPKXCYVFZISGM-ILWJIGKKSA-N 353.172 2.441 0 1 FEAF NC(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586923056 XCULJXDFHJJFGF-UHFFFAOYSA-N 369.446 2.167 0 1 FEAF COc1ccccc1N(C(C)=O)C(=O)Cc1nc(Cl)nc(Cl)n1 84403509 PXVHXKAGNVBCLZ-UHFFFAOYSA-N 355.181 2.309 0 1 FEAF O=C(N1CCOCC1)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 13136895 DEGSKRFQJYSPHH-ZPVISIIKSA-N 350.850 2.086 0 3 FEAF COc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)cc1OC 13603268 KDVDLPCLKQTUKS-UHFFFAOYSA-N 371.437 2.223 0 1 FEAF C[C@@H](CO)CCc1c(O)cc(O)c2c1OC[C@H](c1ccc(O)cc1O)C2=O 14762886 AHXHRRAHHBWGJJ-QMTHXVAHSA-N 374.389 2.429 0 1 FEAF endogenous,in-man Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccnc2)c1C 201448739 IEXWYWHCHHCJON-QGZVFWFLSA-N 359.451 2.490 0 3 FEAF O=C(O)c1ccccc1N1CCN(C(=O)COc2ccccc2F)CC1 1857566444 VLMWERNFDULWED-UHFFFAOYSA-N 358.369 2.252 0 1 FEAF CN1CCN(c2ccnc(CN(C)[C@H]3CCCc4cccnc43)n2)CC1 1857647441 BLXXOLFCZSFQJY-KRWDZBQOSA-N 352.486 2.133 0 1 FEAF CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1COCC1=O 3994895 IOQKOISMPDGVFY-KBPBESRZSA-N 374.462 2.130 0 1 FEAF Nc1nc2c(S(=O)(=O)c3cccc(Cl)c3)nnn2c2ccsc12 6859840 WOUPSTDPYQGXLD-UHFFFAOYSA-N 365.827 2.407 0 1 FEAF CCNC(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1 114348693 FSUVJWUSZKBNJB-UHFFFAOYSA-N 364.409 2.482 0 1 FEAF Cc1cccc(Cn2cc3c(=O)n(CC(N)=O)nc-3c3cc(F)ccc32)c1 100695506 QJDBXVYMYUDQEO-UHFFFAOYSA-N 364.380 2.284 0 1 FEAF CC(C)(C)c1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1 115071347 DNIDQMGFVSJKSV-UHFFFAOYSA-N 370.453 2.085 0 1 FEAF CNC(=N)N1CC[C@@H]2CC[C@@H]3[C@H](O)C(C(=O)O)=C4C[C@H]5CC[C@H](C)[C@]43[C@@]25C1 2356862064 UWPFQXOVNGPAEQ-RNYRODGHSA-N 373.497 2.051 0 1 FEAF COc1cc2cc(CCOC(=O)CCCC(=O)O)oc(=O)c2cc1OC 36388719 GUBULDIEGAQRJI-UHFFFAOYSA-N 364.350 2.151 0 3 FEAF COc1ccc([C@H]2C3=C(COC3=O)Nc3ccc4n[nH]nc4c32)c(F)c1 71329148 CFVKTSXYZAYWPR-CQSZACIVSA-N 352.325 2.474 0 1 FEAF O=C(O)c1cccc(-n2nnnc2SCC(=O)c2ccccc2F)c1 43071744 QAQGGZRRBVDPEY-UHFFFAOYSA-N 358.354 2.475 0 1 FEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H]1CCOC1 222420041 GVQAIMRPJCUOER-GFCCVEGCSA-N 363.421 2.420 0 1 FEAF COC(=O)[C@@H]1[C@@H](O)O[C@H](C)C2=CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 238748225 VNZAGMCDYZBYNC-GXYSGWFPSA-N 368.433 2.497 0 1 FEAF Nc1nn2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c2c1-c1ccccn1 653678779 MCZKYDIAOBITSN-UHFFFAOYSA-N 361.361 2.105 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(N)=O)c(OC)c1)[C@@H](C2)C3=O 587432405 LMSCQEDLFOVGSZ-RNODOKPDSA-N 369.373 2.057 0 1 FEAF C[C@@]1(CC[C@H](N)C(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335236 KZPUSPWXZRWXAF-VPWXQRGCSA-N 372.396 2.242 0 1 FEAF COc1ccc2c(=O)cc(-c3ccc4[nH]c(=O)c(=O)[nH]c4c3)oc2c1OC 13586399 XRYONRLVPGGMNF-UHFFFAOYSA-N 366.329 2.007 0 1 FEAF COc1cccc(OC)c1NC(=O)Cc1nn(C)c(=O)c2ccccc12 1365244 FZWRTZXNJDXKLV-UHFFFAOYSA-N 353.378 2.132 0 3 FEAF CC(=O)N[C@H]1CCN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 2500237 QWWBKQOAJPTBEV-HNNXBMFYSA-N 363.421 2.036 0 1 FEAF CCCCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1 4183061 JUHBAVDRLGEFCZ-UHFFFAOYSA-N 355.398 2.428 0 3 FEAF CCCN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 103173653 JLTLKUVDHHGCEQ-UHFFFAOYSA-N 371.506 2.485 0 1 FEAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@]1(O)CCC1=CC(=O)O[C@H]1O 2356320106 GGIXZFAMVYMLGS-VXRITIHLSA-N 364.438 2.077 0 1 FEAF Cc1nccc(C[C@@H]2[C@H](NCc3ccccc3Cl)C[C@@H](O)[C@H]2CO)n1 2356567190 LQCPUPMGJALTKE-RNIPGJKVSA-N 361.873 2.129 0 1 FEAF COc1cc(O)c2c(c1)O[C@H](c1cc(O)c(OC)cc1O)[C@H](OC)C2=O 2356653686 HYLPFFLBZZFVCL-QZTJIDSGSA-N 362.334 2.152 0 1 FEAF COc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2OC(C)=O)ccc1O 14643606 GOPRNCJZASYCJQ-ZWKOTPCHSA-N 360.318 2.060 0 1 FEAF biogenic N#CC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1 72318141 IQLFUXYOBMCCDH-CABCVRRESA-N 350.378 2.273 0 1 FEAF COC[C@@H](NC(C)=O)C(=O)NCc1ccc(COc2cccc(F)c2)cc1 49793111 PEXCWPSALHGOFD-LJQANCHMSA-N 374.412 2.172 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)NCCC)cc1 95667383 MLXBAVGFECZQJY-VHLDRRQNSA-N 359.470 2.104 0 1 FEAF COC1=COC(CO)=C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617986 SCOVWJPFWOWWEP-YLJYHZDGSA-N 368.341 2.487 0 1 FEAF CCCS(=O)(=O)N1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587449618 QANGKXXAZZLZAE-CQSZACIVSA-N 365.451 2.017 0 1 FEAF CCOC(=O)N1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](OC)C1 587439706 WHWKPHBJMCELTB-WTANOLMUSA-N 361.394 2.059 0 1 FEAF CCS(=O)(=O)c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 586924754 VFPYVSVWAKSKSS-UHFFFAOYSA-N 356.469 2.214 0 1 FEAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OCC(N)=O)[C@@H](C2)C3=O 587433732 VHIYJIWQBNFTHY-XOBRGWDASA-N 353.374 2.222 0 1 FEAF CCOC(=O)[C@](C)(OC(C)=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438500 GCQDAIGLRWDBLW-ZNOIYHFQSA-N 362.378 2.086 0 1 FEAF CN(CC(=O)O)c1ncc([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)cn1 963108286 ONMQDTDYTYNGAK-QAPCUYQASA-N 356.401 2.246 0 1 FEAF COc1cc(O)c(C(N)=O)c2oc(C(=O)NCc3ccccc3)c(C)c12 1857650453 HPTONHWMCAYQGG-UHFFFAOYSA-N 354.362 2.484 0 1 FEAF COc1ccc(-c2noc(C(=O)O)c2[C@H](C)NC(=O)c2cnccn2)cc1 2356302524 XOISOGZXHSKRFK-JTQLQIEISA-N 368.349 2.329 0 1 FEAF COc1ccc(Oc2ncc3nc(C)c(=O)n(C[C@H]4CCCO4)c3n2)cc1 4238816 PGDKVTCOLLCAMC-OAHLLOKOSA-N 368.393 2.475 0 1 FEAF C[C@@H](CO)NC(=N)c1c(O)nsc1Nc1ccc(-n2cccn2)cc1 101101160 CRCNLDNCVSQFLX-JTQLQIEISA-N 358.427 2.074 0 1 FEAF CC=C1CN(C=O)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 2356506951 NHUKMNGLSAXGDK-LJHODMEESA-N 366.417 2.489 0 1 FEAF CC1=C(O)[C@@H]2O[C@@]3(O)C(=O)C[C@H](C)[C@H]4C[C@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C 85814788 WKNPIBKVHHVICI-DWAOVDEFSA-N 360.406 2.029 0 1 FEAF in-man COc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1Cl 96913515 CHPPSRXVHUMCEP-UHFFFAOYSA-N 370.843 2.305 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C[C@H](N)C(=O)O)cc1)O2 587390588 NXKKMWWSROOLOY-JXFKEZNVSA-N 354.406 2.412 0 1 FEAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(=O)n(C)c(O)n1 587864322 XFUKGAWTBNUDHE-UHFFFAOYSA-N 366.299 2.366 0 1 FEAF CCCc1c(O)ccc2c1O[C@](C)([C@H](NC(C)=O)C(=O)OCC)CC2=O 587472170 YBUSTRHXGZXTFB-MJGOQNOKSA-N 363.410 2.136 0 1 FEAF COC(=O)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C(=O)OC 587400342 QSWGQNAJSGFGDR-MJCKAROISA-N 361.394 2.044 0 1 FEAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](CC(=O)OC)C(=O)OC)CC2=O 587479149 KLNLVBXWUFWGEJ-DJJJIMSYSA-N 364.394 2.421 0 1 FEAF CC(C)(O)[C@H](O)Cc1c(O)ccc(C(=O)CCc2ccc(O)cc2)c1O 13379889 ACJAQJHYAGLMOL-GOSISDBHSA-N 360.406 2.293 0 1 FEAF biogenic CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N(CC)CC)cc1 15952248 FQJQDINQCOCCML-UHFFFAOYSA-N 358.398 2.321 0 3 FEAF C[C@@]1(c2cccc(CC(=O)c3ccc(C(N)=O)cn3)c2)CCSC(N)=N1 169694572 MJOYLXGKUFRBMP-IBGZPJMESA-N 368.462 2.273 0 1 FEAF Cc1cc(Cl)ccc1C(=O)c1ccc(-n2ncc(=O)[nH]c2=O)cc1C 25962965 OFUSQSZKDOPYKV-UHFFFAOYSA-N 355.781 2.422 0 1 FEAF COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)COc2ccccc2)cc1 29466871 KAVTURIWLISQMG-AEFFLSMTSA-N 373.449 2.199 0 1 FEAF CC(C)(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 2356661423 AIGZESIAVXHCJQ-MKXGPGLRSA-N 370.497 2.075 0 1 FEAF O[C@@](Cn1cncn1)(Cn1cnc2ccccc21)c1ccc(F)cc1F 28894797 WHGGKHLCJNIFCM-GOSISDBHSA-N 355.348 2.494 0 1 FEAF C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)c1cccs1 212565141 KQHHKTZYHOXLAB-ZOPJHEKZSA-N 358.467 2.133 0 1 FEAF CS(=O)(=O)c1ccccc1-c1cnc(N)c(C(=O)Nc2ccccc2)n1 71316274 NQWBMRPOFNWSLQ-UHFFFAOYSA-N 368.418 2.382 0 1 FEAF CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](CCO)(CC[C@@H]12)[C@@H]43 238767931 GUUBDRGMQKDEAV-CWJKEVGVSA-N 356.466 2.396 0 1 FEAF COc1ccccc1/C=C/C(=O)Nc1cc(OC)c(OC)cc1C(N)=O 96923726 QUNOMTLXTSUWOB-CMDGGOBGSA-N 356.378 2.463 0 1 FEAF C[C@]12c3ccc4c(c3CN[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3)OCO4 33831975 URURFJJXWHZUAJ-YSIASYRMSA-N 353.374 2.163 0 1 FEAF biogenic COCCNc1ncc(-c2cc(C)no2)c(C2CCN(C(C)=O)CC2)n1 473133715 BWNIJXMBJMRIIG-UHFFFAOYSA-N 359.430 2.224 0 1 FEAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(CO)cc3[nH]2)cc1 586940758 FIJFZYYKEIUYRA-CMDGGOBGSA-N 357.435 2.454 0 1 FEAF COCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 587756447 DSSHQFVTMMMYQE-XLKFXECMSA-N 355.211 2.407 0 1 FEAF Cc1nc2[nH]c(CNC(=O)c3cscn3)nc2cc1Br 587027778 GSYLNWKYFIMBIN-UHFFFAOYSA-N 352.217 2.415 0 1 FEAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586962646 UGSYDXQSVVEAFG-MRVPVSSYSA-N 358.427 2.196 0 1 FEAF COc1ccc(/C=C/Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)c(OC)c1 587929296 MGOWMGNDCKGYTQ-HWKANZROSA-N 373.434 2.483 0 1 FEAF CC1(C)NC(=O)N(CCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1=O 587875710 LCTCXYAYHQNREL-UHFFFAOYSA-N 358.329 2.156 0 1 FEAF COCCOc1nc(C(=O)NC(C)(C)c2noc(C)n2)ccc1C1CC1 206691786 ZHMADLCQBGHBMF-UHFFFAOYSA-N 360.414 2.341 0 1 FEAF CN=c1[nH]cc(C(=O)OCc2ccc(F)cc2)c2nc(-c3ccco3)nn12 1857774380 OJWAGAHNGMBHHI-UHFFFAOYSA-N 367.340 2.344 0 1 FEAF COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccncc1)CC2 1857774695 HWKLICWHSIHCJT-UHFFFAOYSA-N 355.438 2.364 0 1 FEAF COc1ccc(-c2nc(C)c(CCNS(=O)(=O)N(C)C)s2)cc1 4392377 YDIVYTXTAQHENQ-UHFFFAOYSA-N 355.485 2.066 0 1 FEAF O=C1CO[C@H]2CN(Cc3c[nH]c4ccccc34)C[C@@H]2N1Cc1ccccn1 2356286304 IKCLITWZIWKTAE-PMACEKPBSA-N 362.433 2.175 0 1 FEAF Cc1ccc(S(=O)(=O)c2n[nH]c3cccc(N4CCNCC4)c23)cc1 64436618 SJAUEJQIVFASOP-UHFFFAOYSA-N 356.451 2.114 0 1 FEAF in-vivo CC(=O)O[C@H](C)[C@@H]1c2c(c(O)c3c(O)cccc3c2O)C(=O)C[C@@]1(C)O 2356789823 DTIDZJSRRNTFKE-NHVLUNNOSA-N 360.362 2.329 0 1 FEAF CCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1 27554196 UUIHVPRXEAWBPR-CGTJXYLNSA-N 370.405 2.250 0 1 FEAF CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1C2=O)OCO4)OCO3 15219657 GGQGUBWFVKJOER-HXUWFJFHSA-N 351.358 2.266 0 1 FEAF biogenic CC(=O)Nc1cnc2[nH]cc(/C=C3\N=C(NCc4ccccc4)NC3=O)c2c1 40428920 WYPWPHCZYKOZSD-IDUWFGFVSA-N 374.404 2.138 0 1 FEAF NCCCCNC(=O)/N=c1/[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1 84672200 VCEUQTKYYDRYLK-UHFFFAOYSA-N 351.410 2.076 0 1 FEAF c1cc(OC[C@H]2CNCCO2)c2nc(-c3nnc4ccccn34)ccc2c1 96175118 LHKDWQFFBVATPU-OAHLLOKOSA-N 361.405 2.312 0 1 FEAF Cc1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12 143082834 QBKHXDZPDGQRHX-UHFFFAOYSA-N 366.377 2.241 0 1 FEAF COC(=O)[C@H]1C[C@]23CCC(=O)N4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 238735617 JPHKISFVGIVFBD-ATUYUNQRSA-N 352.434 2.457 0 1 FEAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 253673031 PAALMPCHQXIBEW-IPMDBYLKSA-N 369.461 2.074 0 1 FEAF CC(C)(Oc1ccc2c(c1)CCc1cc3c(O)nc(O)nc3nc1-2)C(=O)O 587556184 UKIDCTJTFLJRNY-UHFFFAOYSA-N 367.361 2.444 0 1 FEAF CNC(=O)C[C@@H]1Oc2ccccc2-c2cc3c(c(C)c21)N(C)C(=O)C3=O 1772597153 ODOKAGOYCADTAT-HNNXBMFYSA-N 350.374 2.391 0 1 FEAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc(C)cc3nc2-1 5499983 JERFGMQIDHYWRR-NRFANRHFSA-N 362.385 2.388 0 1 FEAF O=C1NCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 13580057 ZVZSTOGIGQSSHH-LLVKDONJSA-N 365.158 2.310 0 1 FEAF O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21 169290854 NLRDWJJCYOHFLS-IHTFEARPSA-N 361.401 2.120 0 1 FEAF C[C@@H]1CCCCN1CCCNC(=O)CN1N=C(c2ccccc2)CCC1=O 4688136 HWDOXQQTTBWBKG-QGZVFWFLSA-N 370.497 2.394 0 1 FEAF C[C@]1(O)CCN(Cc2cncnc2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356288322 AOSZFNZGINDLCY-ZVDOUQERSA-N 366.465 2.069 0 1 FEAF CNC[C@](O)(CCCCCCCCC[C@@H]1CC[C@H](O)[C@H](C)N1)CC(=O)O 2356292597 HZHMEFKKPTWIAR-DMUMMCEESA-N 372.550 2.424 0 1 FEAF CCCCN(C)C(=O)CN1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 64526734 BZDAHZXQWQGRMM-KRWDZBQOSA-N 357.454 2.286 0 3 FEAF O=C(CCc1ccc2cc(O)ccc2c1)NC1=C(C(=O)O)C[C@H](O)CC1 49111393 CIQTZWSZWNISGL-MRXNPFEDSA-N 355.390 2.478 0 1 FEAF C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 95675524 PHXITHQOKRDDQC-UDTPNQRGSA-N 374.481 2.079 0 1 FEAF C[C@@H]1C(=O)N(C(=O)[C@@H]2C[C@H]2C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 253699349 IGUJARIQHGSCCJ-FITYOTRXSA-N 356.422 2.427 0 1 FEAF NS(=O)(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587016046 FHMJYQIWOBWECV-LBPRGKRZSA-N 350.425 2.185 0 1 FEAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)nccc3[nH]2)o1 586931923 PUOLPWKJOHXZBY-UHFFFAOYSA-N 371.216 2.231 0 1 FEAF O=C(O)c1cn(C2CC2)c2cc(N3CCN4CC[C@H]3C4)c(F)cc2c1=O 13649302 BFAZGNGCIZWHRT-LBPRGKRZSA-N 357.385 2.068 0 1 FEAF NC(=O)CSc1nnc(CCCO)n1-c1ccc(Cl)cc1Cl 1857555713 LRZWTUGHVNJLKJ-UHFFFAOYSA-N 361.254 2.076 0 1 FEAF Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)N3CCC[C@@H](C)C3)c2C)n1 16849640 SYKOXIXSUZNFEH-GFCCVEGCSA-N 357.458 2.072 0 1 FEAF CC=C1CN2CC[C@]34c5ccc(OC)cc5N(C(C)=O)[C@H]3[C@H](CO)[C@H]1C[C@@H]24 2356378417 JPKPBLJUUCAYPU-HMNPXLOQSA-N 368.477 2.331 0 1 FEAF CCCN1C(=O)/C(=C(\N)N=O)NN(c2cccc(C(F)(F)F)c2)C1=O 103972013 YWZHWMGCWPBNIV-KHPPLWFESA-N 357.292 2.283 0 3 FEAF CCOC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3C)CC1=O 28096900 WUGZFHIGKDHJFG-LNNXQNCSSA-N 357.450 2.352 0 1 FEAF CC(C)NC(=S)SC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 103264657 RSJRFSNXHMAYNT-HNNXBMFYSA-N 372.466 2.460 0 1 FEAF CCCC[C@]1(CO)C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)[C@@H]1O 26000541 BYBAPAFOQSJYFM-FPTASKROSA-N 373.493 2.201 0 1 FEAF CN(c1ccccc1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 28644789 AETQRFCHSOXFBP-UHFFFAOYSA-N 368.368 2.313 0 1 FEAF CNC1(C)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C1 27422202 BKGNWNJOVBJFBT-UHFFFAOYSA-N 361.417 2.392 0 1 FEAF CC(C)C(=O)C(=O)N[C@@H](C(=O)NCCc1c[nH]c2ccccc12)C(C)C 2356810722 BAXFDZQTUXFNCV-QGZVFWFLSA-N 357.454 2.193 0 1 FEAF O=C(OC[C@H](O)CO)c1ccccc1NC1=C2C=CC(Cl)=C[C]2NC=C1 2356849043 XFSBALWUMXOIPR-CYBMUJFWSA-N 373.816 2.204 0 1 FEAF C[C@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccncc3)c(=O)n21 82211294 NLVRZPZSSQMWNL-AWEZNQCLSA-N 363.421 2.052 0 1 FEAF C[C@H](O)[C@@H]1CO[C@@H](O)[C@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@@H]2N1C 196754862 RGIQTVKMJRLNNH-VHKQZHKFSA-N 356.466 2.058 0 1 FEAF CN1CCN(C(=O)Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 142921359 FHPYVAJINGPABL-UHFFFAOYSA-N 354.332 2.072 0 1 FEAF CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)Nc2ccccc2)c1=O 25410068 JQNHYJIRYHWBAO-CABCVRRESA-N 366.421 2.458 0 1 FEAF biogenic O=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CC1)c1cccnc1 95895508 IIUQNEIXKUWLNW-AABGKKOBSA-N 351.450 2.050 0 1 FEAF O=S(=O)(c1ccc(F)c(F)c1F)N1CCC[C@@H](Cn2ccnc2)C1 653861691 CDRIKGFWQFMEDR-NSHDSACASA-N 359.373 2.401 0 1 FEAF CNS(=O)(=O)c1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587408794 ISKXNGWDABXBHV-SFHVURJKSA-N 360.435 2.366 0 1 FEAF OC1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCC(C(F)(F)F)CC1 587127347 XKZNJUQTZJWMHJ-UHFFFAOYSA-N 352.320 2.479 0 1 FEAF C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4CC[C@H](C3)N4C)cc21 13650304 MZXJFGRQQQDFKM-TXEJJXNPSA-N 357.385 2.222 0 1 FEAF O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CCC(=O)n1cnc2ccccc21)[C@@H]1C[C@H]31 169290853 NLRDWJJCYOHFLS-KMQGVKTFSA-N 361.401 2.120 0 1 FEAF CCCC(=O)OCSc1ccccc1C(=O)N[C@@H]1CCC[C@H]1C(N)=O 1857549878 JHZJIGKQOBIWRE-TZMCWYRMSA-N 364.467 2.463 0 1 FEAF Nc1ncnc2c1c(-c1ccc(CO)cc1)nn2C[C@@H](O)c1ccccc1 1857568550 DRXSLCPHDFDSQZ-MRXNPFEDSA-N 361.405 2.301 0 1 FEAF COc1ccc(OC)c(CNC(=O)N(C)S(=O)(=O)c2ccccc2)c1 1857745552 AJKHUEMRJDHOHY-UHFFFAOYSA-N 364.423 2.234 0 1 FEAF COc1cc(NCc2cccc3nc(N)nc(N)c23)cc(OC)c1OC 13740540 ZHZUQOGDOGCEEG-UHFFFAOYSA-N 355.398 2.432 0 1 FEAF CC(C)CN1C[C@@H]2CC(NC(=O)c3nn(C)c4ccccc34)C[C@H](C1)N2C 26404136 IFZAOPNFWYWWCA-ALOPSCKCSA-N 369.513 2.106 0 1 FEAF CN(C(=O)[C@H]1Cc2ccccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1 28530251 PWERZIHXAWNERU-QKNQBKEWSA-N 366.461 2.256 0 1 FEAF COC(=O)c1ccc2c(c1)c1c(n2CCCN2CCNC(=O)C2)CCCC1 73162006 QHODDOIWBPCRRL-UHFFFAOYSA-N 369.465 2.129 0 1 FEAF COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)c(N)c1N 84538149 CLDXJIRNQRAMRA-UHFFFAOYSA-N 371.397 2.133 0 1 FEAF Clc1ncc2nc(-c3nccnc3I)nc-2[nH]1 587186849 WWSBCQIIAAGKGV-UHFFFAOYSA-N 358.530 2.020 0 1 FEAF C/C=C(\C=N)c1ncc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c(O)n1 1857556913 SYSNWVRIFFGJMH-BIXAXFDGSA-N 356.430 2.276 0 1 FEAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)cn1 2356302292 QUFARTTXVHATAJ-ZFWWWQNUSA-N 357.389 2.101 0 1 FEAF CC=C1CN2[C@H]3C[C@]45c6cccc(OC)c6N[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)OC 2356463131 PODPTPDMRYBSFN-MVIPDBNSSA-N 368.433 2.254 0 1 FEAF CC=C1CN2[C@H]3C[C@@]45c6ccccc6N[C@@]4(O3)[C@@]2(OC)C[C@H]1[C@@H]5C(=O)OC 2356660383 DTWMPIYEXLWLSM-GKYABOMNSA-N 368.433 2.220 0 1 FEAF CN1C[C@@H](NCC2CC2)CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC1=O 2356682484 VRNSOBCUHQEVEI-MOPGFXCFSA-N 372.513 2.057 0 1 FEAF CC(C)=CC(=O)O[C@@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@@H]1C 2356683131 ILKRCFPIERWOTH-HCHOPOLDSA-N 364.438 2.387 0 1 FEAF CC(=O)O[C@@H]1[C@H](O)[C@](C)(O)[C@H](C=CC(=O)O)[C@]2(C)CCCC(C)(C)[C@H]12 2356711217 OZESVNMBZAEFCX-GLVWQPSRSA-N 354.443 2.133 0 1 FEAF C[C@H]1CC[C@H](C)N1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28891826 GBQZPHGKWXWKET-ZOBUZTSGSA-N 362.495 2.352 0 1 FEAF CC(=CCO)CCC=C(CO)CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1 2356733737 RXGMJLUUKIBYON-NSHGMRRFSA-N 356.503 2.474 0 1 FEAF CCN1CCC[C@H]1CNC1=NS(=O)(=O)C(c2ccc(OC)cc2)=C1C 21525885 UXRCRRZWSOPHBU-HNNXBMFYSA-N 363.483 2.242 0 1 FEAF COc1cccc(C(=O)N2CCn3c(-c4nc(C)ns4)nnc3[C@H]2C)c1 218913590 YKIGSSIUJRGFEY-SNVBAGLBSA-N 370.438 2.331 0 1 FEAF CCc1nc(C(=O)N[C@H](C(=O)NCc2ccccc2N)C(C)C)cs1 82070018 BFOSXFGHLTWJIB-INIZCTEOSA-N 360.483 2.359 0 1 FEAF CCCCn1c(-c2cccc(OC)c2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 45299584 QRAORASUVBBVSN-UHFFFAOYSA-N 367.409 2.152 0 1 FEAF O=C(NC[C@H]1CCCNC1)c1ccnc2[nH]c(Cc3cccs3)nc12 144296454 KZGINSXQBZOJCR-LBPRGKRZSA-N 355.467 2.340 0 1 FEAF COc1ccc(-c2csc(=O)[nH]2)cc1S(=O)(=O)NC1CCCC1 299858574 DVKHBOWZIKQGJM-UHFFFAOYSA-N 354.453 2.333 0 1 FEAF Clc1ncc(I)c2nc(CC3OCCO3)[nH]c12 586908772 RGZYVZFMMIOIBR-UHFFFAOYSA-N 365.558 2.131 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)CCC2=O)N1 587761851 QMDHRYHTXPFBDB-JDNHERCYSA-N 369.234 2.487 0 1 FEAF O=S(=O)(CCc1nc2nc(Cl)c[nH]c-2n1)c1ccc2c(c1)CCC2 586920878 SYZXMPIKNQBHTL-UHFFFAOYSA-N 362.842 2.463 0 1 FEAF Cc1cccc(NC(=O)C[C@@]2(C)N[C@@H](C(=O)O)Cc3c2nn(C)c3C)c1C 962705816 FGLGHOQLJKAHKM-OXQOHEQNSA-N 370.453 2.188 0 1 FEAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCC[C@@H]2Cn2cncn2)N1 963229880 QKWIERINJXEYQH-MJWYBRSISA-N 363.421 2.121 0 1 FEAF C[C@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccc(N2CC[C@@H](O)C2=O)cc1 14949212 AGRGOPGRMMWYAC-MEDUHNTESA-N 354.410 2.127 0 1 FEAF CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCCC1 203468923 HHLYEZIDHOGMDD-FOIQADDNSA-N 360.454 2.239 0 3 FEAF Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2C)cc(-n2[nH]c(C)nc2=O)n1 205289476 PEASRFMOQMDWOA-STQMWFEESA-N 361.409 2.125 0 1 FEAF COc1ccc(C(=O)C2=NO[N@@]3O[C@]23C(=O)c2ccc(OC)cc2)cc1 1857624282 FVQGMXXUZFHDKN-AZUAARDMSA-N 354.318 2.014 0 1 FEAF Cc1c(N2CC[C@H](CN)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3637755 VFTKROGUXCUSEX-LLVKDONJSA-N 359.401 2.108 0 1 FEAF CC1=C[C@H](CNS(C)(=O)=O)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356817039 DGXZBDJOHCMGBK-GVDBMIGSSA-N 356.532 2.403 0 1 FEAF O=C1[C@@H]2CSCCS(=O)(=O)N2C(=O)N1c1cccc2ccccc12 72137681 GDQZIBYOZCRALP-AWEZNQCLSA-N 362.432 2.054 0 1 FEAF CC(C)(O)[C@H](O)Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O 15115068 MCDSHLATEYMKDN-ZWKOTPCHSA-N 358.390 2.479 0 1 FEAF biogenic COCCCOc1ccc2c(c1)[C@@H](N(C(=O)[C@H]1CNCCO1)C1CC1)CC2 221692663 ZIEDPAVQQOPNPM-VQTJNVASSA-N 374.481 2.069 0 1 FEAF O=C(N[C@H](c1cccs1)C1CC(O)C1)c1ccc2c(c1)ncn2CCO 230456151 CEPNRRHCSAQXAY-JRSKDTKFSA-N 371.462 2.332 0 1 FEAF CCOC(=O)C[C@@]1(CN2CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443967 NPWWAXAPXRQVEC-QRWLVFNGSA-N 359.422 2.230 0 1 FEAF CC(C)(C)OC(=O)N[C@H](Cc1nc2c(O)nc(O)nc2[nH]1)C(C)(C)C 587202412 AFOFTTDXSYWQFS-MRVPVSSYSA-N 351.407 2.246 0 1 FEAF COC(=O)[C@@H]1CNCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587797238 RJMCZJNDHJGVLI-KJRLAJNESA-N 371.250 2.100 0 1 FEAF Cc1cc2c(cc1O)[C@@H](c1nccn1CC(F)(F)F)N[C@H](C(=O)O)C2 963466671 DMAJILDEQLAYSN-AAEUAGOBSA-N 355.316 2.148 0 1 FEAF COc1cc(/C=C/c2ccc3nc(N)nc(N)c3n2)cc(OC)c1OC 1772626957 VRXDABPPSUEEHP-SNAWJCMRSA-N 353.382 2.385 0 1 FEAF COc1cccc(C(=O)[C@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)c1 11720821 AMPZLEPJMKLCTP-HNNXBMFYSA-N 371.437 2.163 0 3 FEAF O[C@H]1CCCN(CCNc2nncc(-c3ccc(C(F)(F)F)cc3)n2)C1 12709104 ISUSZPHESTWRAH-AWEZNQCLSA-N 367.375 2.426 0 1 FEAF CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCc1ccco1 169305122 XEQYREPEFSTTRW-HNNXBMFYSA-N 355.394 2.157 0 3 FEAF CS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4cncnc4)n3n2)c1 169306688 KXMSFQZJBIUZCQ-UHFFFAOYSA-N 366.406 2.225 0 1 FEAF CCOCn1c(C(=O)c2cccc(-c3ccccc3)c2)cc(=O)n(O)c1=O 1857601045 GBSPWMMPHCLIOU-UHFFFAOYSA-N 366.373 2.139 0 1 FEAF CN1CCN(c2ccnc(CN(C)[C@@H]3CCCc4cccnc43)n2)CC1 1857647442 BLXXOLFCZSFQJY-QGZVFWFLSA-N 352.486 2.133 0 1 FEAF Cn1cc(C(=O)N2CCN(CCOc3cccnc3)CC2)c2ccccc21 205942830 PVFMPPYWTMNZHL-UHFFFAOYSA-N 364.449 2.410 0 1 FEAF COCCCNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)ccc1F 3020455 YTXRITKQPONLBI-CYBMUJFWSA-N 372.462 2.013 0 1 FEAF CCn1c(C(=O)N2CCC(C(=O)NCCOC)CC2)cc2sccc21 6820789 CGMAEQIUNSLGHX-UHFFFAOYSA-N 363.483 2.338 0 1 FEAF C[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 8618649 OIGPMJCLTDSPPN-LJCLKYPCSA-N 374.477 2.236 0 1 FEAF CS(=O)(=O)c1ccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)cc1 29047991 BKSPAXUSQQHIDF-UHFFFAOYSA-N 369.406 2.120 0 1 FEAF O=C(O)CCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O 25988311 FNSPWMZBIKLOKH-HNNXBMFYSA-N 355.431 2.363 0 1 FEAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](OC(=O)C(=CCO)CO)CC(C)=CCC1 2356611315 RYZYAGBFMJKAJG-UBDQQSCGSA-N 364.438 2.063 0 1 FEAF O=S(=O)(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 26832215 SDLVUSNEJGKREP-UHFFFAOYSA-N 356.879 2.400 0 1 FEAF Cc1ccc2c(NC(=O)[C@H](C)O)c(O)c3c(c2n1)C=C[C@@]1(C)CCC(=O)N31 2356834794 KEVHVUDICWQEAA-YBTHPKLGSA-N 367.405 2.480 0 1 FEAF NC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCCC4)cc3)nc12 45392103 APVONESTVYOERI-UHFFFAOYSA-N 363.421 2.159 0 1 FEAF O=C1CCCC(=O)N1c1cc(Cc2nnc(O)c3c2NCCC3)ccc1F 84689760 ZTEIOXSOBDGCKR-UHFFFAOYSA-N 370.384 2.314 0 1 FEAF O=C(Nc1nnc(S(=O)(=O)Cc2ccccc2)s1)c1ccccn1 198930072 ZXIIVXBJJRPTOY-UHFFFAOYSA-N 360.420 2.159 0 1 FEAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587156121 VPMFIPZWRULVNN-UHFFFAOYSA-N 371.191 2.174 0 1 FEAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(C)C=C1C(=O)OCC 587483833 DWXDOTJNVPSHNQ-FQEVSTJZSA-N 373.405 2.358 0 1 FEAF O=C1CO[C@@H](c2ccccc2)O[C@H]1[C@@H]1O[C@H](c2ccccc2)OC[C@H]1O 2178320034 ZWMINTXYDGSSGW-YHUYVZNPSA-N 356.374 2.145 0 1 FEAF Cc1cccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 586955606 PXFIHPBZZMKPEI-UHFFFAOYSA-N 356.451 2.438 0 1 FEAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CC(O)C3)c2cn1)c1ccccc1 1772584875 XHOPCEPPMNAAJI-LLVKDONJSA-N 352.398 2.022 0 1 FEAF CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2F)n2nnnc2N1 5607729 HPYPJRPNOGQAFC-OAHLLOKOSA-N 351.345 2.135 0 1 FEAF Cn1ccc(CC(=O)N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)c1 12307966 ONWHPFASYRSPHF-KRWDZBQOSA-N 355.438 2.442 0 1 FEAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCc1cccnc1 13475355 BAPMCCLJYXUNAN-INIZCTEOSA-N 359.470 2.127 0 1 FEAF O=C(NCc1ccc(F)cc1)c1[nH]c(-c2cccc(F)c2)nc(=O)c1O 205693952 QRLIEXSZMDANDN-UHFFFAOYSA-N 357.316 2.351 0 1 FEAF CCOC(=O)CN1C(=O)S/C(=C\c2cccc(/C=C/C(=O)O)c2)C1=O 1857589142 VPYSSWBZGGTWRA-PXBDENQTSA-N 361.375 2.384 0 1 FEAF CC(=CCCC(=CCO)CO)CCC=C(C)C[C@@H](O)[C@H](O)C(C)(C)O 2356410257 FTWKAMFFFFYMJW-MOPGFXCFSA-N 356.503 2.233 0 1 FEAF C[C@@H]1CC[C@H]2C(=O)NC[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 8585521 CBJAXLVQLSPOSC-KJEVXHAQSA-N 353.260 2.081 0 1 FEAF CNC1=Nc2cc(-c3cccc(CC(N)=O)c3)sc2N2C(C)=CN[C@@H]12 101442185 ILOLEBQEKSFTEC-QGZVFWFLSA-N 353.451 2.303 0 1 FEAF Cc1nc(N)nc(-c2cc(C(C)(C)O)cnc2Nc2cncc(F)c2)n1 113242290 QTCHCGFCYOHSMS-UHFFFAOYSA-N 355.377 2.329 0 1 FEAF O=C(O)CCNC(=O)c1ccc2c(c1)ncn2CCCC1CCNCC1 27084609 DFBKXRGDDOFKRY-UHFFFAOYSA-N 358.442 2.021 0 1 FEAF OC[C@@H]1[C@H](O)C[C@@H](NC2CCC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356644961 ZBHVSIJVBDRBMB-PIKOESSRSA-N 371.456 2.325 0 1 FEAF COC(=O)[C@@H]1CC2=C(CN1Cc1ccc(OC(F)(F)F)cc1)N(C)[CH]N2 2356871693 LJYXVMZFZUSTBI-AWEZNQCLSA-N 370.351 2.198 0 1 FEAF CN(C)c1cccc(-n2nnc3ccc(NCC4CCNCC4)nc32)c1 73278125 NFMGQYVXXDIVFX-UHFFFAOYSA-N 351.458 2.293 0 1 FEAF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1[C@@H](O)c1ccc2c(c1)OCO2 14646885 DAYYVCOMHYXEFZ-BKTGTZMESA-N 370.357 2.209 0 1 FEAF biogenic Cc1c(N2C[C@@H]3C[C@]3(CN)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12 1911572871 YXPLJQOMUASLEV-RBZFPXEDSA-N 356.445 2.028 0 1 FEAF O=c1c(NCC2CC2)c2n(c(=O)n1Cc1cccc3ccccc13)CCN2 82204592 QPPHXUKIICGDPC-UHFFFAOYSA-N 362.433 2.459 0 1 FEAF CC(C)C(=O)N1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1 473126147 ZEAYLBFKDUMFPX-UHFFFAOYSA-N 357.458 2.431 0 1 FEAF N[C@]1(c2nc3c(Br)cnc(Br)c3[nH]2)CCOC1 587245993 CDFQATGTELBCHQ-SNVBAGLBSA-N 362.025 2.057 0 1 FEAF COc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Cl 586921741 MCIXRVBLPGOUTL-UHFFFAOYSA-N 354.819 2.073 0 1 FEAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587784436 HBOIWDWSTPJSHC-CABCVRRESA-N 360.377 2.482 0 1 FEAF COc1nc(N(C)C)sc1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962929761 XHHBRDQRXWPVKI-AWEZNQCLSA-N 360.483 2.155 0 1 FEAF OC[C@@H]1CCCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2c[nH]nc2n1 169702555 YKDFQYJWKSLGGG-NSHDSACASA-N 354.418 2.048 0 1 FEAF CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(N)cc2OC)cc1 1857568463 ZWOZQWSICGQAAF-UHFFFAOYSA-N 352.412 2.486 0 1 FEAF Cc1ccc(S(=O)(=O)N2CC[C@@H](N(C)c3ncnc4[nH]ccc34)C2)cc1 1857756272 INCBFPKZAVUKES-CQSZACIVSA-N 371.466 2.166 0 1 FEAF COc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)ccc12 2712175 FZJFODUMMVYFRF-UHFFFAOYSA-N 352.346 2.378 0 1 FEAF COc1ccc(CC(=O)N[C@@H]2c3cc(OC)c(OC)cc3C[C@H]2O)cc1 61959110 IYAWEXNZUXIECW-OXQOHEQNSA-N 357.406 2.029 0 3 FEAF COC(=O)[C@@H]1CO[C@@]2(CCO)CC[C@@H]3c4[nH]c5ccccc5c4C[C@H]1N3C2 2356459951 GAMRURZRBQMIOC-QTQZEZTPSA-N 370.449 2.170 0 1 FEAF COC(=O)C1=C2[C@](C)(CC[C@@H](OC=O)[C@]2(C)C(=O)OC)c2ccccc21 2356703448 CWVFPXBNVZCOCD-XMCHAPAWSA-N 358.390 2.399 0 1 FEAF Cc1ccc2c(NC(=O)[C@@H](C)O)c(O)c3c(c2n1)C=C[C@]1(C)CCC(=O)N31 2356834791 KEVHVUDICWQEAA-BIBXISHDSA-N 367.405 2.480 0 1 FEAF Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)n(CC4CC4)n3)nc12 217525045 JTGBDLPQADNLIQ-UHFFFAOYSA-N 366.473 2.128 0 1 FEAF C=CCO[C@@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@H]12 8297120 KNKXERMIEMXMPU-OLZOCXBDSA-N 351.200 2.187 0 1 FEAF biogenic O=S(=O)(c1ccccc1F)n1ccc2c(N3CCNCC3)cccc21 38192573 KRMUPVIERMHPQE-UHFFFAOYSA-N 359.426 2.427 0 1 FEAF Cc1c(O)c(C)c2c(c1O)C(=O)[C@H](Cc1ccc3c(c1)OCO3)[C@@H](O)O2 13481974 HUGFWFLIFYXRSJ-WLRWDXFRSA-N 358.346 2.196 0 1 FEAF biogenic CCNC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 220906074 IVXGNVULOGVPQG-UHFFFAOYSA-N 369.830 2.294 0 1 FEAF CN(C)CCCCOC(=O)CNC(=O)c1coc(-c2cccs2)n1 82084963 OGBAVFSCRDTXLL-UHFFFAOYSA-N 351.428 2.018 0 1 FEAF CCOCc1ccc(-c2c(C)nc3c(N4CCOCC4)nccn23)cn1 143145306 WPOIPMIEAROZKK-UHFFFAOYSA-N 353.426 2.473 0 1 FEAF CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4cncc(F)c4)cc32)N=C1N 95601546 VXJSSKWZJQSEGW-LJQANCHMSA-N 354.385 2.431 0 1 FEAF CCOC(=O)CC[C@@]1(C(=O)OC)C(=O)CCCCCC=C1C(=O)OC 263591142 DVEZQQPWLQWKCS-SFHVURJKSA-N 354.399 2.122 0 3 FEAF C[C@H](OC(=O)[C@H]1CC[C@H](CN)CC1)OC(=O)[C@H]1CC[C@](C)(CN)CC1 299845540 BLUUOESVKFGCAX-DINLJIAVSA-N 354.491 2.339 0 1 FEAF COc1ccc2nc(-c3nccnc3I)[nH]c2n1 587186696 PDXACGZYHWVTJJ-UHFFFAOYSA-N 353.123 2.028 0 1 FEAF Oc1nc(O)c2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2n1 587120897 IXCILJSKNJXTRV-UHFFFAOYSA-N 354.170 2.192 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)n(C)c(=O)n4C)[C@@H](C2)C3=O 587436424 QLLHOOFRDVTBTO-ORAYPTAESA-N 350.374 2.374 0 1 FEAF COc1ccc(Cl)c2c1CCN[C@@]21CC(=O)N2CCCC2=C1C(=O)O 963259052 QZPFOLBNIIXTDX-SFHVURJKSA-N 362.813 2.054 0 1 FEAF CCN1N=C(C(=O)O)[C@]2(NCCc3c(C(=O)O)cccc32)c2ccccc21 963149976 PRIZVIQZCCPQOW-HXUWFJFHSA-N 365.389 2.055 0 1 FEAF CN1CCN(Cc2cn(S(=O)(=O)c3ccccc3)c3ncccc23)CC1 1772609519 QLIIOFAQVZTFLQ-UHFFFAOYSA-N 370.478 2.021 0 1 FEAF CC(=O)Oc1cccc(C2=C(c3ccc(S(C)(=O)=O)cc3)COC2=O)c1 13818518 CLRGHUBHANRUMX-UHFFFAOYSA-N 372.398 2.483 0 1 FEAF C[C@H]1OC=C2c3c(c4ccccc4n3C(=O)CO)CCN3C[C@@H]1[C@H]2CC3=O 15269076 RBFOYRLZWHEUTR-WQVCFCJDSA-N 366.417 2.054 0 1 FEAF O=C(c1ccccc1)N1CCN(c2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1 576639 LNNUHKQTYZTQAX-UHFFFAOYSA-N 373.416 2.367 0 1 FEAF COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)/C=C(\F)[C@@H](C)[C@H](C)NC2=O 102032671 JRHABWKYLHCXIO-NVAKLLADSA-N 365.401 2.147 0 1 FEAF COc1ccc([C@@H](O)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O 52651323 GNUFQAYMLAQRQN-SJORKVTESA-N 350.367 2.194 0 1 FEAF CN1C(=O)[C@@]2(N=c3ccccc3=C3Nc4ccccc4N32)c2ccccc21 104028247 DSGLDBPKJTYIDH-JOCHJYFZSA-N 352.397 2.147 0 3 FEAF c1cc([C@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@H]3C2)ccn1 22862975 PFZHYLNVIWHQFX-RBUKOAKNSA-N 367.501 2.443 0 3 FEAF COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N(O)[C@@]15[C@@H]2C)[C@H]43 2356868454 XBTLJNCJTKVFAE-QWWOSCSFSA-N 352.434 2.346 0 1 FEAF COc1cccc2c1C[C@@H](NCCN1C(=O)c3ccccc3C1=O)CC2 28763968 DSXIDARBTUCXGN-HNNXBMFYSA-N 350.418 2.438 0 1 FEAF Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)[nH]c(=O)n2)n1 218653110 JLCGQMAZCATYNI-CHWSQXEVSA-N 361.409 2.125 0 1 FEAF COC(=O)C1=C2Nc3cc(O)ccc3[C@@]23CCN2CCC[C@@]([C@H](C)O)(C1)[C@H]23 238780830 FHMZPCPNSNRDQC-XSGSXHBCSA-N 370.449 2.122 0 1 FEAF C[C@@H]1CC[C@@]23[C@@H](O)O[C@H]4C[C@@]2(OC(=O)[C@]43C)[C@@]12C[C@H](c1ccoc1)OC2=O 238783419 OFOZPMNKDDSNNL-VHHVKLLWSA-N 374.389 2.093 0 1 FEAF Oc1nccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 587113837 VJHPDZGTDHMIPJ-UHFFFAOYSA-N 361.287 2.384 0 1 FEAF N[C@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccccc1Cl 587057622 CKUWJIASTBJPJF-LLVKDONJSA-N 350.831 2.106 0 1 FEAF O=C(Nc1nc(Cc2nc3ncc[nH]c-3n2)cs1)c1cccc(O)c1 587019569 OEWNSXPWKDYQBM-UHFFFAOYSA-N 352.379 2.310 0 1 FEAF COc1cc2c3c(c1)O[C@](c1nccn1C)(C1CCOCC1)[C@@H](C2)C3=O 587430623 JXTACAISWDINMP-MGPUTAFESA-N 354.406 2.498 0 1 FEAF CC(=O)N[C@@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(C)cc1 587217757 YZDBXFSQTBLJBS-KRWDZBQOSA-N 361.409 2.267 0 1 FEAF O=C1[C@@H](N2CCN(c3ccc(O)cc3)CC2)CCN1Cc1ccc(F)cc1 1772632844 MDUXGCPBQKKLGB-FQEVSTJZSA-N 369.440 2.454 0 1 FEAF CCCn1c(=O)c2c(nc3ccccn32)n(Cc2ccc(OC)cc2)c1=O 13475113 JPPAYBUEEOVLPP-UHFFFAOYSA-N 364.405 2.278 0 1 FEAF CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 13588476 NQNLRNPILZXJNF-DHDCSXOGSA-N 357.435 2.294 0 1 FEAF CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc(F)cc3)c(O)n2n1 15973621 XEVOHUVLLWMJRS-UHFFFAOYSA-N 365.390 2.031 0 1 FEAF CNC1=NC(=O)[C@@H]([C@@H](C)c2cn(C(=O)CCC(=O)O)c3ccccc23)S1 169319782 TYLAUZGFEFLERF-MGPLVRAMSA-N 373.434 2.467 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cncn4C)ncc23)ccn1 205446062 ZNDMGDAQKDIIBW-UHFFFAOYSA-N 362.397 2.384 0 1 FEAF CNC[C@H](O)CN1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 1857582403 SSLBNNKDUYZZCG-KRWDZBQOSA-N 354.454 2.269 0 1 FEAF COc1ccc(CN2C[C@@H]3CN(Cc4ccccn4)CCN3C2=O)cc1 2356304423 HQSDTQRXFHSBSA-SFHVURJKSA-N 352.438 2.212 0 1 FEAF CCn1nc(C)cc1C(=O)N1CCOC[C@@H](Oc2ccc(OC)cc2)C1 2356322078 SKYRTWHOUNBFNG-KRWDZBQOSA-N 359.426 2.140 0 1 FEAF O=C1N=c2ccc(Br)cc2=C1c1[nH]c2ccccc2c1NO 100496028 ZTUANYJYYRUUIG-UHFFFAOYSA-N 356.179 2.090 0 1 FEAF CCOC(=O)c1cnc2n(c1=O)[C@@H](C)CC[C@H]2C(=O)Nc1ccccc1 29307965 SYOBKUNZHAEHLT-GXTWGEPZSA-N 355.394 2.497 0 1 FEAF C[C@H]1CCCN(C[C@@H](O)CNS(=O)(=O)c2cccc3ccccc23)C1 28892082 AOHWSQYKOBBNCW-RDJZCZTQSA-N 362.495 2.211 0 1 FEAF CNC(=O)N1C[C@H](C(=O)N2CCCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21 72177394 CVPDIVQTMIROPA-RDTXWAMCSA-N 364.449 2.370 0 1 FEAF O=C(CN1C(=O)NC(=O)[C@H]2CCCC[C@H]21)NCc1nc2ccccc2s1 214428611 CQDJQWWIEVIGDA-WCQYABFASA-N 372.450 2.023 0 1 FEAF CNC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 73161404 NVXNUPIATWBYSF-UHFFFAOYSA-N 370.434 2.341 0 1 FEAF Cc1ccc(-c2noc(C(C)(C)C)n2)cc1S(=O)(=O)N1CCOCC1 40836347 SCUTUKVFQDAOCG-UHFFFAOYSA-N 365.455 2.363 0 1 FEAF C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(OC)c(Cl)c2)C1 621485774 KYOPKFCVWQUWFF-GFCCVEGCSA-N 372.874 2.264 0 1 FEAF Cc1cccc(C(=O)N2C[C@@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)n1 299843901 ZLKDZGXVQSRNLE-QRVBRYPASA-N 353.422 2.374 0 1 FEAF CN(C)S(=O)(=O)c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)o1 586931121 LXJVYKPZEVQKSJ-UHFFFAOYSA-N 360.317 2.487 0 1 FEAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 169306106 PAALMPCHQXIBEW-FVFJQJSQSA-N 369.461 2.074 0 1 FEAF COc1c(CN)cc(C(N)=O)cc1OCCCN1Cc2ccccc2C1 1857551762 ALBOITFSHDMCRJ-UHFFFAOYSA-N 355.438 2.038 0 1 FEAF CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1scnc1C 1857759535 ZAUHGIZMXQSHFD-XVJNWHFHSA-N 360.435 2.461 0 1 FEAF C=C(C)[C@H]1CC=C(C(=O)OC)CC(=O)C[C@@]2(C)CC(=O)[C@@H](CC(=O)C1)O2 253665546 CCRQLJVTUBLUBL-VIZZQPHQSA-N 362.422 2.497 0 1 FEAF O=C(NCCCN1CCCCC1)[C@H]1CCC(=O)N1CCc1ccccc1 3958341 TUNGONXUGOQREA-LJQANCHMSA-N 357.498 2.212 0 3 FEAF CC(C)C(=O)c1c(O)c2c(c3c1O[C@@H](C(C)(C)O)C3)O[C@@H](C(C)(C)O)C2 2356423336 VPBDCGLRLMBBMF-CHWSQXEVSA-N 364.438 2.380 0 1 FEAF CN(C)CCCNc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O 40950166 CDPDHPAHHZPPHB-UHFFFAOYSA-N 368.481 2.361 0 1 FEAF CCOC(=O)c1n[nH]c2c1C(=O)N(c1cccc(Br)c1)C2=O 49088390 LMMYAODFQPBJHJ-UHFFFAOYSA-N 364.155 2.150 0 1 FEAF COC[C@H]1CCCN1c1cc(NC(=O)OC)nc(-n2nc(C)cc2C)n1 40935707 NGBUOZZQRKAQRL-CYBMUJFWSA-N 360.418 2.073 0 1 FEAF C[C@H](CO)Nc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 95576954 ANVMGBJXXQJYER-LLVKDONJSA-N 370.384 2.197 0 1 FEAF C/C=C1\CN(C)CC[C@@]23C(=O)C[C@@H]1[C@@H](CO)[C@@H]2N(C(C)=O)c1ccccc13 238764035 FOIHCGYTOYBKSL-LOGUMJDVSA-N 368.477 2.139 0 1 FEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)cc(F)c2[nH]1 586958880 MJAAMXZPPDLDGT-OAHLLOKOSA-N 353.350 2.310 0 1 FEAF Oc1cc(O)nc(SCc2nc3cc(Br)cnc3[nH]2)n1 586967350 YGLHBLQMEDKKJX-UHFFFAOYSA-N 354.189 2.214 0 1 FEAF CNS(=O)(=O)c1cc(-c2nc3c(ccc4nc(C)ccc43)[nH]2)n(C)c1 586946577 AOFRHPVVDFSHJB-UHFFFAOYSA-N 355.423 2.333 0 1 FEAF Oc1nc(S)nc2[nH]c(-c3cnn4cccc(Br)c34)nc12 587006075 BQZFAWFSGLFYTK-UHFFFAOYSA-N 363.200 2.424 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1cnc(S(C)(=O)=O)c(C)c1)[C@@H](C2)C3=O 587448889 MPCLLNHCKUWESR-GUYCJALGSA-N 359.403 2.291 0 1 FEAF N[C@@H](N=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 958568026 RCBAOQSDCXKPMH-GJZGRUSLSA-N 367.814 2.348 0 1 FEAF CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCC(CN)CC4)ccc1c23 1857749765 PMOZLZMTFYNCHO-UHFFFAOYSA-N 373.478 2.179 0 1 FEAF CN1C[C@H](N(C)C)CCC[C@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356302597 ZUFLRAWCIAKUSH-WMLDXEAASA-N 367.440 2.160 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCc1ccccc1Cl 3660567 QFYPAKIXVQWMJY-PURYLZLUSA-N 372.852 2.196 0 1 FEAF C[C@@H]1CCCCN1CCNC(=O)CCS(=O)(=O)Cc1ccccc1F 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354.318 2.276 0 1 FEAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(O)nc(S)nc2[nH]1 587116930 MSGFJQRQUULJCK-UHFFFAOYSA-N 350.713 2.420 0 1 FEAF CN(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 586929164 SYGCGFFKDCXLFV-UHFFFAOYSA-N 372.237 2.480 0 1 FEAF COc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1F 586957601 CLDQWQJZXQOTHR-MRXNPFEDSA-N 365.386 2.180 0 1 FEAF CN1[C@@H]2C[C@H](O)[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595618 PJACZMRDANBQKS-NQZCODIDSA-N 367.401 2.320 0 1 FEAF COc1cc2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2cc1OC 586934892 ADALUGPMOMRKJS-UHFFFAOYSA-N 364.427 2.262 0 1 FEAF COC(=O)c1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cn1 586978839 KFQVCUBILAJELQ-UHFFFAOYSA-N 364.203 2.369 0 1 FEAF N=C(N)c1ccc(COc2ccc3c(c2)CCCN(CC(=O)O)C3=O)cc1 13802311 GFVDFBPGTNSOJI-UHFFFAOYSA-N 367.405 2.023 0 1 FEAF CC(=O)Oc1ccc2c3c1O[C@@H]1[C@H](OC(C)=O)CC[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169692927 NCXVKLDKUADJPV-SXHWCIJUSA-N 371.433 2.213 0 1 FEAF COc1ccc(Nc2ncc3c(n2)n([C@H]2CC[C@H](O)CC2)c(=O)n3C)cc1 1857566411 NUWUOZZMEMRKGH-HDJSIYSDSA-N 369.425 2.358 0 1 FEAF COc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(C)(=O)=O)cc1 2940176 MUEZETKLRYQVGH-QGZVFWFLSA-N 360.435 2.020 0 1 FEAF CC(=O)N1CCOc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc21 6832501 UEVSIWKXCVMUAD-STQMWFEESA-N 352.456 2.099 0 3 FEAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)N1CCC(C)CC1 8604863 IEKHRFTVLZVETN-UHFFFAOYSA-N 370.375 2.321 0 1 FEAF CNC(=O)CCCN1C(=O)CCn2nc(-c3cn(C)c4ccccc34)cc21 8609322 REAKKTPFZUBUHM-UHFFFAOYSA-N 365.437 2.305 0 1 FEAF COc1ccccc1N1CCN(CCNC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)CC1 100724895 XQGRZJQQNFCESY-BZSNNMDCSA-N 355.482 2.146 0 1 FEAF Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)OC34CCCCC4)C2)cc(=O)[nH]1 23153367 UHDSVMZVOPEHNZ-HUUCEWRRSA-N 373.453 2.050 0 1 FEAF C[C@H]1CC[C@H](C)N1C[C@H](O)CNS(=O)(=O)c1cccc2ccccc12 28891782 GBQZPHGKWXWKET-YQQAZPJKSA-N 362.495 2.352 0 1 FEAF COc1cc2c(cc1OC)[C@@]1(O)Cc3ccc4c(c3[C@@H]1N(C)CC2)OCO4 2356527679 GLILRKXQDOLYQE-SFTDATJTSA-N 369.417 2.405 0 1 FEAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(C)C(=O)C4)ncn3)c2c1 221157683 GWNBDVRVUYBAGA-UHFFFAOYSA-N 366.425 2.086 0 1 FEAF CN(C)CCn1ccc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21 49066836 ZQHXGKGYHLTMOL-UHFFFAOYSA-N 367.453 2.202 0 1 FEAF C=CCN1C(=O)[C@H]2C[C@@H](NC(=O)c3ccc(F)c(Cl)c3)CCN2C1=O 25189334 PGLKUIMQFBQOOW-SMDDNHRTSA-N 365.792 2.190 0 1 FEAF biogenic C=C1C[C@H](O)[C@@H]2[C@H](CN3CCCCCC3)C(=O)O[C@@H]2[C@H]2[C@@H]1CC(=O)[C@@H]2C 299884433 TUNAZEXGIWWQBP-HXQZKZQDSA-N 361.482 2.182 0 1 FEAF C[C@]1(c2cccc(N3C(=O)C=CC3=O)c2)NCCc2nc3ccccn3c21 962981918 HPFAHRHDJDFHMB-OAQYLSRUSA-N 358.401 2.173 0 1 FEAF O=C(O)C1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 13440568 UXEGVNNGYWFDQC-UHFFFAOYSA-N 372.469 2.291 0 1 FEAF O=S(=O)(c1ccccc1)n1c(CN2CCOCC2)nc2ccccc21 203475428 CTSBMVXXCPSYGN-UHFFFAOYSA-N 357.435 2.106 0 3 FEAF O=C1C[C@@]23CCN(CC4CC4)[C@@H]4C[C@H](O)[C@H]1C[C@]42Cc1ccc(O)cc13 207622961 LOXFETCCXNYJIL-IXXBJLTKSA-N 353.462 2.401 0 1 FEAF CC1CCN(C[C@@H](NC(=O)[C@H]2Cc3ccc(O)cc3CN2)C(C)C)CC1 1857749945 QHBNPMPKVNZQAM-WOJBJXKFSA-N 359.514 2.279 0 1 FEAF O=C(c1ccc2cc(Oc3ncc(F)cn3)ccc2n1)N1CCNCC1 584606563 ZIZYQIQCIGCCLV-UHFFFAOYSA-N 353.357 2.002 0 1 FEAF CCCCOc1ccc2c(c1)[C@H](N(C)S(C)(=O)=O)[C@@H](O)C(C)(C)O2 2007059 ICXASNQRNZTLLB-JKSUJKDBSA-N 357.472 2.330 0 1 FEAF COc1ccc2cc3cc(C(=O)N4CCC(C(N)=O)CC4)oc3nc2c1 4030379 CMXOBJUARPIZFW-UHFFFAOYSA-N 353.378 2.327 0 1 FEAF CC/C=C/C(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26500492 BPOMMGRTEJVDIK-RGDDUWESSA-N 362.451 2.384 0 1 FEAF Cc1cccc(N2C[C@@H]3CCN(C(=O)c4ccccc4-n4nccn4)C[C@@H]32)n1 116824399 HOQLYDYVYPJRAF-LPHOPBHVSA-N 374.448 2.322 0 1 FEAF CCNC(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@H]1O 2356423863 DZEFVDKLTSIVDA-JZXOWHBKSA-N 359.426 2.112 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C[C@H](O)[C@]13COC(=O)[C@@H]1C=CC[C@H]32 2356464558 NYEJHAGTUYDMIT-ZRHPZAPZSA-N 356.374 2.310 0 1 FEAF CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12 72180353 YKIGQSJUNJMMKL-UHFFFAOYSA-N 367.405 2.303 0 1 FEAF COc1ccccc1C(=O)N1CCN(Cc2nc(C)c(C)nc2C)CC1 40423876 CYFUJEWGSGQSFR-UHFFFAOYSA-N 354.454 2.368 0 1 FEAF Cn1cnc(C[S@@](=O)Cc2ccc(I)cc2)c1 45300391 RDXRQOPUWORMDX-QGZVFWFLSA-N 360.220 2.474 0 1 FEAF COc1cccc(CNc2nc(N3CCN(C)CC3)ncc2C)c1OC 82202773 HWFLPVUAFLWSPG-UHFFFAOYSA-N 357.458 2.166 0 1 FEAF CCCN(CCN1C=CN(C)/C1=C/N=O)S(=O)(=O)c1ccccc1 148124296 RPRSBMUAKOPTRE-PEZBUJJGSA-N 350.444 2.371 0 1 FEAF C[C@@H](CF)Oc1cc(C(=O)N[C@](C)(CC(N)=O)C2CC2)ncc1C1CC1 146528069 FLPDTGMQAJUKQC-JEOXALJRSA-N 363.433 2.470 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@@H](O)[C@@]13COC(=O)[C@@H]1C=CC[C@H]23 238769283 FEZPPVYOZYNLPZ-LPJLFVJQSA-N 358.390 2.390 0 1 FEAF CCNC(=O)c1ccc2nc(C)c3nnc(-c4cccnc4OC)n3c2c1 95593596 QVUMIQCLVPRUBJ-UHFFFAOYSA-N 362.393 2.406 0 1 FEAF COCCNC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1c1nc(C)c(C)s1 95895658 NSJFKVMJXCPAFV-KZNAEPCWSA-N 361.511 2.329 0 1 FEAF CNS(=O)(=O)c1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587451437 YAYIYWYVKKHKHO-BEFAXECRSA-N 373.430 2.266 0 1 FEAF NC[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337974 QDHWAPFPULCRSN-IEBWSBKVSA-N 359.353 2.453 0 1 FEAF C[C@H]1CN(c2nc3ccncc3o2)C[C@@H](C)N1c1ccnc([C@@H](C)O)n1 13472178 FXGPTHJUNMZVSD-FRRDWIJNSA-N 354.414 2.170 0 1 FEAF NC(=O)Cn1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 13737506 NEMFJZVRNTYKEF-KXBFYZLASA-N 366.446 2.108 0 1 FEAF C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SC[C@@H](C)O)CC(=O)O1 169316354 JSZMATWNNJCEPE-QHZLNYDESA-N 372.527 2.279 0 1 FEAF CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@H]1C2 201642987 SGJNLUHSLLRODE-SGMGOOAPSA-N 366.487 2.469 0 1 FEAF CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(C[C@H]3CCCO3)c2n1 4238852 YSXPJHUEUUCPPW-CQSZACIVSA-N 351.410 2.099 0 1 FEAF O=C(CF)CNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 1857605741 MMINGQDIKWOKRT-KRWDZBQOSA-N 358.369 2.309 0 1 FEAF COc1ccc(OC)c(CNC(=O)NS(=O)(=O)c2ccc(C)cc2)c1 1857628907 FQSIOOVEDLACND-UHFFFAOYSA-N 364.423 2.200 0 1 FEAF CC[C@H]1CCCCN1CCCNC(=O)c1c(O)n2ccc(C)cc2nc1=O 102438341 MOCSHRYIFPSNFO-HNNXBMFYSA-N 372.469 2.093 0 3 FEAF CCOC(=O)CNC(=O)OCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 72179839 TWZVTBQOHXVQCI-UHFFFAOYSA-N 373.789 2.287 0 1 FEAF CC(=O)O[C@H](CCCCC[C@@H](O)[C@H](O)CCCCCCO)CC(=O)O 2356636951 BCSLIHBDUIHHTK-BRWVUGGUSA-N 362.463 2.008 0 1 FEAF O=C(NCC1(COc2ccccc2)C[C@@H](O)[C@H](O)C1)c1ccc(F)cc1 2356712329 ZCTATNODONIRGZ-QZTJIDSGSA-N 359.397 2.137 0 1 FEAF CS(=O)(=O)N1Cc2ccccc2C[C@]2(CCN(Cc3ccncc3)C2)C1 71991856 QVKGLDYJXASQDU-FQEVSTJZSA-N 371.506 2.292 0 1 FEAF CCn1cc(Nc2ncc(Cl)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)cn1 84712238 WBVVEHDODCFLBV-XXSPCDMZSA-N 373.848 2.178 0 1 FEAF O=C(O)CCCCCC[C@@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCCO 85627285 LDUBDFDZFOQXGF-CMYXXPHFSA-N 370.486 2.448 0 1 FEAF NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1c(F)cccc1F 143700805 PFCRYMZMFRABLG-CMDGGOBGSA-N 374.390 2.025 0 1 FEAF CCC(=O)N(C)C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1cccnc1 95895781 OEHPFRVUSMXHRW-SVFBPWRDSA-N 353.466 2.279 0 1 FEAF c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4cnccn4)CC3)CC2)nc1 253663484 JEEXKVNFXCLLCQ-IYARVYRRSA-N 367.501 2.450 0 1 FEAF N[C@@H](Cc1ccc(I)cc1)c1nc2cncnc2[nH]1 587186603 ZAXATYODGKEYLQ-JTQLQIEISA-N 365.178 2.200 0 1 FEAF Cc1csc([C@](O)(Cc2nc3ccc(C(N)=O)cc3[nH]2)C(F)(F)F)n1 587093527 FZKSDRDCAAYCIT-CQSZACIVSA-N 370.356 2.419 0 1 FEAF CCOC(=O)[C@]1(C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797966 NCAJNGHPKZPELV-VXJOIVPMSA-N 358.207 2.470 0 1 FEAF CN1C(=O)[C@@H]2[C@@H](C=C[C@H]([C@H](O)c3cccs3)N2Nc2ccccc2)C1=O 136906262 HHGFBSIGSSWGQP-JHNDHUHGSA-N 369.446 2.032 0 1 FEAF O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 201440297 MCSFFBGMCOQHQK-ZDUSSCGKSA-N 366.414 2.136 0 3 FEAF O=C(O)c1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccccn2)CC1 2461788 ZPPCINNUMVPCNV-UHFFFAOYSA-N 364.405 2.152 0 1 FEAF O=C(O)CCCC=CC[C@H]1[C@H](C=C[C@@H](O)CCCCCO)[C@@H](O)C[C@H]1O 2356304667 XQXUYZDBZCLAQO-FKSLSLAPSA-N 370.486 2.015 0 1 FEAF CCOc1ccc([C@H](O)CN2CCN(c3ccccc3)CC2)cc1C(N)=O 27076263 YMXNEGQRXBJRFT-LJQANCHMSA-N 369.465 2.040 0 1 FEAF O[C@@H]1[C@H](NCc2ccc(Cl)c(Cl)c2)[C@H]2CO[C@@H](O2)[C@@H]1n1cccn1 2356776519 UMUPJBKIFWFBCD-QCODTGAPSA-N 370.236 2.005 0 1 FEAF CC=C1CCN2CC[C@@]34c5ccccc5N[C@@]23C[C@H]1[C@@]4(CO)C(=O)OC 2356788577 XIILJJFJGOTIAO-SEVLPDGMSA-N 354.450 2.274 0 1 FEAF O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 95869210 DCEANNCXJGUAAB-VQTJNVASSA-N 363.461 2.147 0 1 FEAF CC(=O)[C@@H]1C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 253638152 OKPZZQOOGVTTIF-YWKPNGTOSA-N 367.445 2.226 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1 587090747 WZQGXFHIHJIDSU-UHFFFAOYSA-N 352.366 2.348 0 1 FEAF C[C@H]1C[C@H](C)CN(CCCNC(=O)C[C@@H]2Oc3ccccc3NC2=O)C1 13131516 DLQIZEBQZHQCOO-MPGHIAIKSA-N 359.470 2.260 0 1 FEAF COCCO[C@H]1c2c(ncn2Cc2ccc(OC)cc2)N=CN(C)N1C 13559513 XVQWTNYKFPHMFD-SFHVURJKSA-N 359.430 2.054 0 1 FEAF Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)o1 3907592 HQUNLQKPFPVEDE-UHFFFAOYSA-N 368.480 2.367 0 3 FEAF C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccccc4C(N)=O)cc3c21 28901999 FHJOEWCOPYPMQW-JTQLQIEISA-N 362.389 2.366 0 1 FEAF C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(Cl)c(N4CCNCC4)cc3n21 27524642 YOFABCNLJDKGDM-QMMMGPOBSA-N 365.842 2.387 0 1 FEAF O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3n[nH]cc3[C@H]1C[C@@H](CO)C2 114842932 CDRQZZJANOQFIF-KANYHAFZSA-N 367.858 2.122 0 1 FEAF COCCNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1 115625598 ZNACSPAWPOLCAR-UHFFFAOYSA-N 366.425 2.023 0 1 FEAF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)C1=CC=C[CH]N1 2356829859 DHJRXMLYVQTJNF-HNNXBMFYSA-N 358.443 2.054 0 1 FEAF CCC(=O)N1CCC[C@](C)(C(=O)NS(=O)(=O)c2ccccc2Cl)C1 61907400 BFNUQLGMCFSCQO-INIZCTEOSA-N 372.874 2.184 0 3 FEAF O=C(c1cnn2cccnc12)N1CCN(CCc2ccc(F)cc2F)CC1 73294414 BKKMETCOUPGLLH-UHFFFAOYSA-N 371.391 2.008 0 1 FEAF CC(C)N1CCN(C(=O)OC2CN(c3ccc(C(F)(F)F)cn3)C2)CC1 223535123 SHCHCUDIZZOADU-UHFFFAOYSA-N 372.391 2.452 0 1 FEAF COc1cccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3C(C)=O)c1 95893946 KOXXFKSHTPUYBY-AABGKKOBSA-N 366.417 2.031 0 1 FEAF CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(C)=O 95895103 LKMXYQNMWFUTMA-PWRODBHTSA-N 370.424 2.304 0 1 FEAF CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@@H]1[C@@H]2CO3 140511342 RAZGPSCTQURVQO-SLTOGJCYSA-N 356.422 2.499 0 1 FEAF CC(=O)NC[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(C)=O 95895107 LKMXYQNMWFUTMA-HKBOAZHASA-N 370.424 2.304 0 1 FEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCS(=O)(=O)C2 587614674 UJAJOWLWSJLCFU-CRAIPNDOSA-N 360.387 2.301 0 1 FEAF O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC[C@@H](O)C1 11937871 ABZZSAVMAAQLMG-CQSZACIVSA-N 353.378 2.399 0 3 FEAF CC(=O)NCCNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21 13824853 IMFNQNWKSDGCMK-UHFFFAOYSA-N 371.828 2.004 0 1 FEAF COc1cnc(C(=O)Nc2cccc(CNc3cccnc3N)c2)cn1 169701650 VOGMQIUOXSCWIG-UHFFFAOYSA-N 350.382 2.327 0 1 FEAF COC[C@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166999969 PAZLERJGBJMLAZ-ZDUSSCGKSA-N 354.410 2.394 0 1 FEAF NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2cc[nH]c12 205944116 DSWIMSKPKNDUFL-QWHCGFSZSA-N 365.441 2.482 0 1 FEAF S=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCOCC1)Nc1ccccc1 2356300056 ACAMIWCGVBLJJL-LMMKCTJWSA-N 374.554 2.016 0 1 FEAF COc1ccccc1N1CCN(CCNC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 34136230 XQGRZJQQNFCESY-KSZLIROESA-N 355.482 2.146 0 1 FEAF O=C(Nc1nncs1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 195403192 NGRGJBMARGRWOI-RFHZTLPTSA-N 366.402 2.102 0 1 FEAF CC(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 82196216 SSBDIEWTAYQJGR-UHFFFAOYSA-N 370.478 2.455 0 1 FEAF COC1CCC2(CC1)Cc1ccc(OC3CC3)cc1[C@@]21N=C(N)N(C)C1=O 140554221 PAJIOZYNQUNKPI-QPDBELLOSA-N 369.465 2.341 0 1 FEAF COc1ccccc1CCCNCCCCN1C(=O)[C@@H]2CCCN2C1=O 96933532 YHZOVSWPDLPWKZ-KRWDZBQOSA-N 359.470 2.424 0 1 FEAF Oc1cc(O)nc(SCc2nc3c(F)cnc(Br)c3[nH]2)n1 586966777 MWOJPGCPZQHHQC-UHFFFAOYSA-N 372.179 2.353 0 1 FEAF CC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169344521 OKPZZQOOGVTTIF-BVLGWHTRSA-N 367.445 2.226 0 1 FEAF CC(C)C[C@@H](c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1 4875351 RCIPRJKOHCAEDM-SFHVURJKSA-N 370.501 2.200 0 3 FEAF COc1ccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@@H]3c3ccccc3)N2)cc1 4279763 VYTZJPWDEGJYOO-KRWDZBQOSA-N 361.405 2.132 0 1 FEAF CCC(=O)N(CCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1 28525841 SJBFIVYQJGMBKY-UHFFFAOYSA-N 373.545 2.195 0 1 FEAF COc1ccc(Nc2ncc(C(C)(C)N)cc2-c2nc(C)nc(N)n2)cn1 113237665 KFPMCMZUPUDUMW-UHFFFAOYSA-N 366.429 2.165 0 1 FEAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C[C@H]3CCCO3)CC(=O)N21 16040325 BLFCOEKPOUONKU-CXAGYDPISA-N 367.449 2.178 0 1 FEAF biogenic C[C@@H](c1ccc2ncccc2c1)n1nnc2ccn(-c3cnn(C)c3)c(=O)c21 84759627 PEUAHYDTRUVITP-ZDUSSCGKSA-N 371.404 2.473 0 1 FEAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314 253701889 ZBAQMFALLMLPSC-MNAPGUCWSA-N 369.461 2.219 0 1 FEAF Nc1ccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cn1 587254923 SOWMHIIVQGYOAO-UHFFFAOYSA-N 356.329 2.424 0 1 FEAF CN1[C@@H]2C[C@H](O)[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595621 PJACZMRDANBQKS-OYGTYWGISA-N 367.401 2.320 0 1 FEAF Cc1cc2c(cc1O)[C@@H](c1ccc3oc(=O)ccc3c1)N[C@H](C(=O)O)C2 963554341 ULRLKBJTYDCAHQ-HNAYVOBHSA-N 351.358 2.495 0 1 FEAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C[S@@](=O)CC(=O)N(C)C)C1 13584880 MHTHGYXELORNEW-SWHMAYCHSA-N 356.919 2.212 0 1 FEAF COC(=O)N[C@@H]1CSC[C@@H]1OC(=O)c1ccc(Br)cc1 2855809 MSJQIJWBTUHVCV-MNOVXSKESA-N 360.229 2.446 0 3 FEAF CCOCCOc1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)O 103181492 YEMJHWXICZCXCO-UHFFFAOYSA-N 364.354 2.400 0 1 FEAF CCCCN1C(=O)[C@@H](CC(=O)NC2CCCC2)CC(C(=O)N(C)C)=C1C 61923395 MUACXJDBMUFXJW-OAHLLOKOSA-N 363.502 2.446 0 3 FEAF OCCS[C@@H]1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1O 2356534986 VKKARASAKMNKCK-YESZJQIVSA-N 350.392 2.065 0 1 FEAF C[C@H](O)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356536143 GDKXZPQRUWPQMV-XGQISHRSSA-N 352.515 2.329 0 1 FEAF CCOC(=O)c1cccc(Nc2nc(N)n(C(=O)c3ccccc3)n2)c1 64549419 IMMOFEGLUVPBQS-UHFFFAOYSA-N 351.366 2.469 0 1 FEAF COc1ccc2c(c1)[C@@H](O)[C@H]([C@@H]1COc3ccc(OC)cc3[C@@H]1O)CO2 13376917 ANVSINVPZBSBDR-CPLUKWAASA-N 358.390 2.488 0 1 FEAF biogenic COc1ccc(CCNC(=O)c2c(C)n(O)c3ccc(F)cc3[n+]2=O)cc1 49067551 RUJWBPIMGZUHGL-UHFFFAOYSA-O 372.376 2.222 0 1 FEAF COc1ncc(CC(=O)c2cnc(C)cn2)cc1[C@]1(C)CCSC(N)=N1 96172071 KOJFKARPVGQBPZ-SFHVURJKSA-N 371.466 2.281 0 1 FEAF COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@H]43 148633270 ZTHVHELPCLGXHF-FBXCTBMYSA-N 364.445 2.101 0 1 FEAF in-vitro CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(OC)ncc3[nH]2)cc1 587228940 UHCBMLDCYGNMPL-UHFFFAOYSA-N 369.381 2.465 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)C=C2C(N)=O)N1 587775457 SPECSWWLSWDPFX-JDNHERCYSA-N 366.234 2.146 0 1 FEAF CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 1772615107 XPKOTKLTCRETEU-HNNXBMFYSA-N 374.824 2.454 0 1 FEAF Cc1cnoc1C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 1772607820 KXGTZQAOFACZQN-UHFFFAOYSA-N 365.393 2.478 0 1 FEAF CC(C)N1CCN(Cc2ccc3[nH]cc(CCN(C)C)c3c2)S1(=O)=O 13738512 HEFIDNYHXDTDFP-UHFFFAOYSA-N 364.515 2.043 0 1 FEAF C[C@@](Cc1ccccc1)(C(=O)O)N1C(=O)c2ccc(C(=O)O)cc2C1=O 13816024 XTNBKGMUEWYZFZ-LJQANCHMSA-N 353.330 2.067 0 1 FEAF Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 15936412 YKIYZHNBRKYEBH-INIZCTEOSA-N 372.444 2.297 0 3 FEAF CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccccc23)c1 117164393 GXUZZZRWJPJLHA-UHFFFAOYSA-N 357.439 2.348 0 1 FEAF O=C(Nc1cc(Cl)ccc1N1CC[C@H](CO)C1)c1cnn2cccnc12 113654913 TYDKEVCWEALCFZ-LBPRGKRZSA-N 371.828 2.454 0 1 FEAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1CCC[C@@H](O)[C@@H]1O 27102688 UMBMDDFTYGIXPG-GFOCRRMGSA-N 367.453 2.316 0 1 FEAF CCOC(=O)[C@H]1C[C@@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3C)CC1=O 28111484 WUGZFHIGKDHJFG-NWUWZPLHSA-N 357.450 2.352 0 1 FEAF CCCn1c(=O)c2nc([C@@H]3CCCC[C@@H]3C(=O)O)[nH]c2n(CCC)c1=O 29548334 SNLPCMKKVDHGMR-NEPJUHHUSA-N 362.430 2.065 0 1 FEAF C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn([C@@H]3CCC[C@H]3O)c2n1 84651957 SIZYQAFFZCUBHX-KYEXWDHISA-N 358.442 2.417 0 1 FEAF CC[C@H]1Oc2ccc(Br)cc2[C@]2(COC(N)=N2)C12COC2 149292530 UVKPJIHODHUWCZ-IUODEOHRSA-N 353.216 2.177 0 1 FEAF CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F 95796608 WMSZRGOUYKZYFU-VQTJNVASSA-N 354.425 2.387 0 1 FEAF Cc1ccncc1N1CCN(c2ccc3c(c2)C(C)(C)C(=O)N3CO)C1=O 149328852 NAKSEUXFDSOCJN-UHFFFAOYSA-N 366.421 2.411 0 1 FEAF COc1cccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3C(C)=O)c1 95893947 KOXXFKSHTPUYBY-AQNXPRMDSA-N 366.417 2.031 0 1 FEAF COc1ccc([C@@H]2Oc3c(ccc(OC)c3OC)[C@@H](O)[C@H]2O)cc1OC 85861847 VDDYRAREFDERAS-ZACQAIPSSA-N 362.378 2.249 0 1 FEAF biogenic COC(=O)[C@@H]1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@]1(CN2C)O[C@H]1C 299820586 BRWYCRLKASLULK-IRZFUUSHSA-N 368.433 2.174 0 1 FEAF COc1cc([C@@H]2OC[C@@]3(O)[C@H](c4ccc5c(c4)OCO5)OC[C@@H]23)ccc1O 653767662 XQHPVVHZGWCUCQ-KJYZGMDISA-N 372.373 2.320 0 1 FEAF NC(=O)c1cccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 587164501 SMSBJBSFYGUXMZ-UHFFFAOYSA-N 365.368 2.079 0 1 FEAF COC(=O)c1cc(OC)n(-c2cnc(C)c(Br)n2)c1OC 587940820 MWTIOEUWEDUUQQ-UHFFFAOYSA-N 356.176 2.142 0 1 FEAF NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(F)cc2F)cc1 1487302 KQTHZTGSWCOVER-UHFFFAOYSA-N 352.318 2.023 0 1 FEAF CC1CCN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)CC1 4111412 VMZQVGYKTZZPQT-UHFFFAOYSA-N 371.481 2.156 0 3 FEAF COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2cccs2)n1 4968131 HXJVZJXBUWVZQL-UHFFFAOYSA-N 355.419 2.297 0 3 FEAF CCOC(=O)c1cnc(-c2ccc(C)s2)nc1NN1C(=O)C=C(C)C1=O 29394614 AHRPMNUHBXZQDF-UHFFFAOYSA-N 372.406 2.332 0 1 FEAF C[C@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCCNCC4)cc3n21 27526132 BGFBFVIIKMMZEC-SECBINFHSA-N 363.414 2.263 0 1 FEAF CCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3s2)cc1 26475496 UTGKVHAPQJGDJL-ZMSDIMECSA-N 372.446 2.328 0 1 FEAF COc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(C(C)C)c3)c12 114771949 UNCUUEARSIMAAD-UHFFFAOYSA-N 355.398 2.145 0 1 FEAF COc1cccc(-c2cn(C3CC(CNCCO)C3)c3ncnc(N)c23)c1 27981784 TWUSYQHQSFRUMW-UHFFFAOYSA-N 367.453 2.222 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C=C3OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@@H]1C 2356627987 CWQFFFQIMPZPEO-NFLGQJIJSA-N 362.422 2.163 0 1 FEAF COc1cc2c(c3occc13)C[C@@H]1OC(=O)[C@]3(C)[C@@H]1[C@]21CC[C@@]3(O)OC1 2356678130 UNPXGINTSIBWLZ-AZBIJLPYSA-N 356.374 2.296 0 1 FEAF Cc1nc(C(=O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)c(C)o1 26577538 XNTUYCJUGQKJHX-CQSZACIVSA-N 360.391 2.447 0 1 FEAF CN(C)C(=O)n1nnc(CNC(=O)CCCCCCc2ccccc2)n1 45495318 KZCWMVCKQDBOLK-UHFFFAOYSA-N 358.446 2.012 0 1 FEAF CO[C@@H]1CN(c2ccccc2)S(=O)(=O)[C@@]12CCN(Cc1ccccc1)C2 299851372 FUDXFANYMQLOOI-WOJBJXKFSA-N 372.490 2.496 0 1 FEAF CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1c1ccccc1 299871940 ZNDJCLCWTRQFFE-GOSISDBHSA-N 362.426 2.420 0 1 FEAF NC(=O)NCCC[C@H](N)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587258900 GQTMMKMJWIZNHD-LURJTMIESA-N 366.294 2.060 0 1 FEAF CCC1=C(C)N[C@@H]2N(CCC[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)C1=O 587439798 WZZDNJNMNRVAPV-IPHXSNPTSA-N 368.433 2.417 0 1 FEAF COc1cc2c(cc1OC)[C@@](C)(CO)N(C(=O)c1ccccc1N)CC2 963151701 YDHBRADWDHWOOA-HXUWFJFHSA-N 356.422 2.192 0 1 FEAF COc1cccc2c1O[C@@H](CNCC1CCN(c3ncccn3)CC1)CO2 13799848 ZVPBDPXZHYXGRS-INIZCTEOSA-N 370.453 2.131 0 1 FEAF O=C(O)C[C@H]1OCC=C2CN3CC[C@@]45c6ccccc6N[C@@H]4[C@@H]1[C@@H]2C[C@@H]35 169303980 SQIFUSVCLFHGOI-KGSDWGHESA-N 352.434 2.242 0 1 FEAF CC(C)C[C@H](NC(=O)OCC1CCCCC1)C(=O)N[C@H]1CCN(C#N)C1 28353877 OKLPVFARCIJZFH-IRXDYDNUSA-N 364.490 2.379 0 1 FEAF COc1ccc(Nc2ncc(C(C)=O)nc2-c2cc(N)nc(C)n2)cn1 113150821 WGQQNMIIZZLTFX-UHFFFAOYSA-N 351.370 2.174 0 1 FEAF COc1ccc(-c2c[nH]c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1N 29130675 POWNWJUHAIPHOM-UHFFFAOYSA-N 371.393 2.449 0 1 FEAF CC(=O)OCC1=CC[C@H]([C@](C)(O)CC=C[C@@](C)(O)COC(C)=O)CC1 2356779278 PWPSQCADOUKLOZ-IPMKNSEASA-N 354.443 2.287 0 1 FEAF CC(C)n1cc(NC(=O)Cn2ccc(-c3ccc4c(c3)OCO4)n2)nn1 20600317 UYCKQBGVGJYFMF-UHFFFAOYSA-N 354.370 2.090 0 1 FEAF NC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)c1 71295289 RTTJIHAIQHYASY-UHFFFAOYSA-N 359.817 2.188 0 1 FEAF C[C@]12CCCC(CO)(CO)[C@@H]1CC[C@H](C=O)[C@@H]2CCC1=CCOC1=O 85933764 DNDBWPONLLYRKA-SFNKJDCFSA-N 350.455 2.252 0 1 FEAF biogenic CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@H]42 85511390 AUVZFRDLRJQTQF-ZIKUCTJESA-N 352.434 2.432 0 1 FEAF biogenic,in-vitro COc1ccc(NC(=O)CNCCCC(=O)Nc2ccccc2N)cc1 84724617 GBNMFQWOTUJERT-UHFFFAOYSA-N 356.426 2.224 0 1 FEAF COCC(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12 146520708 OMRDGTOBZWIDQB-UHFFFAOYSA-N 362.393 2.455 0 1 FEAF COc1cccc2c1N(C=O)[C@@H]1CC[C@]3(CCO)CCCN4CC[C@@]21[C@H]43 85996966 QFSOOKONVLMAOB-AYWYSENESA-N 356.466 2.309 0 1 FEAF biogenic COc1ccc2c(c1)CC[C@](N)(c1nc3c(S)nc(S)nc3[nH]1)C2 587246586 HLPLUNGVTBBJJA-MRXNPFEDSA-N 359.480 2.282 0 1 FEAF Cc1cc2c(cc1O)[C@@]1(CCCc3[nH]c(C(=O)O)c(C)c31)N[C@H](C(=O)O)C2 963467764 HJXNIKIOPGITSA-VBKZILBWSA-N 370.405 2.214 0 1 FEAF Cc1ccnc2c1CCN[C@@]2(CS(C)(=O)=O)c1ccc(Cl)cc1 963065304 CUIHUFNFZQYGOX-KRWDZBQOSA-N 350.871 2.477 0 1 FEAF CCCc1ccc(C(=O)OC)cc1CCn1cnc2c1NC=NC[C@@H]2O 13807668 JCGVGGSVGRTHFI-INIZCTEOSA-N 356.426 2.352 0 1 FEAF C[C@@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccc(-n2cc(O)[nH]c2=O)cc1 169685084 BOTKWNMXPRFXFY-SNVBAGLBSA-N 353.382 2.214 0 1 FEAF N#CN1CCC[C@](F)(C(=O)Nc2ccc(-c3nccc4c[nH]nc34)cn2)C1 1857542923 YJNCJFZMAZBBFH-GOSISDBHSA-N 365.372 2.244 0 1 FEAF C[C@]1(C(=O)NCCCN2CCCC2=O)CON=C1c1cccc(Cl)c1 2470691 UXACGOCSLDWLCF-SFHVURJKSA-N 363.845 2.209 0 1 FEAF COc1cc2c(cc1OC)C(=O)c1ccc(OC)c(OC)c1OCC(=O)C2 3197559 OAQFLNPTAZZENS-UHFFFAOYSA-N 372.373 2.456 0 1 FEAF biogenic,in-vitro CCOC(=O)c1cc(-c2ccccc2)nnc1NCCN1CCOCC1 27626796 UUEACXTZIFOPHV-UHFFFAOYSA-N 356.426 2.064 0 1 FEAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Cn1cnc2sccc2c1=O 2356761805 CVBTYXXTLFRXPC-HOCLYGCPSA-N 374.510 2.181 0 1 FEAF CCNc1nc(-c2ccc(C3CCNCC3)nc2)cc2ncn(C)c(=O)c12 115624220 ZZGYPJMEJOYSPO-UHFFFAOYSA-N 364.453 2.289 0 1 FEAF CCN1CCCC[C@@H](NC(=O)c2cc3nnn(CC4CC4)c3cc2OC)C1 29571111 QNKGUVCXRYNSKQ-OAHLLOKOSA-N 371.485 2.454 0 1 FEAF Cc1cccc(CCCNC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)c1 1911578326 OZHHZWRMPWYDGZ-SFHVURJKSA-N 356.422 2.287 0 1 FEAF CCN(C)C(=O)c1cnc(NCCNC(C)=O)nc1-c1cccc(C)c1 82147753 JXWXBRRGXYVZON-UHFFFAOYSA-N 355.442 2.092 0 1 FEAF C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@H](C(=O)O)C[C@@]54[C@@]2(O)[C@@H]1CC[C@@]34CO 238744219 FHEIQKLULLQNBD-IOMHMVJHSA-N 373.493 2.237 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)CC2CC2)cc1 95895635 QHKKTSVDENPXAS-HKYIWOQFSA-N 356.466 2.311 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)nc2O)N1 587776986 ZWEOQBYOKOJAAY-PWCHPLFNSA-N 354.179 2.413 0 1 FEAF O=C(O)CC1(CC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601646 FBMGHUURGWVWQU-HNNXBMFYSA-N 358.302 2.042 0 1 FEAF COc1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cn1 586926909 RDSDZWPPPJITMH-UHFFFAOYSA-N 359.407 2.186 0 1 FEAF CN1C(=O)C[C@@H]2CN[C@](c3cnn(C)c3)(C(F)(F)F)c3cccc1c32 963016077 CGPRMRLWEGECJL-HWPZZCPQSA-N 350.344 2.279 0 1 FEAF CN(C)CC1=CC2=CN(S(=O)(=O)c3ccccc3)C3=CC=C[C@@H](O1)[C@@H]23 1772625505 TUTKZANFXFVKEG-MOPGFXCFSA-N 356.447 2.489 0 1 FEAF O=C(NC[C@@H]1CN(c2ccccc2)CCN1)c1ccc(-n2ccnc2)cc1 11422332 LRNFWXDBPHKDSW-GOSISDBHSA-N 361.449 2.081 0 1 FEAF C[C@@]1(O)OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1 13488586 YHNIVIBBBLJCNF-GOSISDBHSA-N 362.378 2.405 0 1 FEAF C[C@H](NC(=O)C[C@@H]1[C@H](O)CC[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO)C(C)(C)C 2356364270 RSPFXXVMPYBSBP-CJDIZJCSSA-N 369.546 2.474 0 1 FEAF O=P(O)(O)CN[C@@H](Cc1ccc2c(c1)oc1ccccc12)c1nn[nH]n1 3981919 HYXPDXHZGJELSV-ZDUSSCGKSA-N 373.309 2.108 0 1 FEAF COc1ccc(Cl)cc1N1CCN(CCNC(=O)c2ccncc2)CC1 28465751 ORZRAFKVNPSTEH-UHFFFAOYSA-N 374.872 2.296 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]13CCC1=C(C(=O)OC1)[C@@H](O)C=C[C@H]32 2356608508 AHAPUAPISQPISM-YRYMLKIGSA-N 356.374 2.454 0 1 FEAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(N)nc12 138832093 SIFVDHWCLQHABA-UHFFFAOYSA-N 352.377 2.105 0 1 FEAF COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1F 653912887 OGQKSJSZUZYROA-ZDUSSCGKSA-N 353.419 2.132 0 1 FEAF NC(=O)c1cccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 587194059 YZPLUXRSYCICIX-UHFFFAOYSA-N 366.421 2.181 0 1 FEAF COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccccc1)[C@@H](C2)C3=O 587451423 XZQWVLKBXHZYQN-KXBFYZLASA-N 358.415 2.383 0 1 FEAF CN(C[C@@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21)S(C)(=O)=O 149349994 HCCMWBGJRNVHQF-CYBMUJFWSA-N 368.405 2.325 0 1 FEAF COC(=O)CC[C@H]1NC(=O)c2cc(Cl)ccc2N(CC2CC2)C1=O 1772604101 GBJYRTGYRDBSAB-CYBMUJFWSA-N 350.802 2.148 0 1 FEAF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@]2(O)C(=O)CC[C@H](C)[C@@]12C 205258044 JRRUBQLITXADFJ-OWAQUMSMSA-N 360.406 2.372 0 1 FEAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cn(C)c(=O)cn2)nc1 209443599 YFVBSMUFGMIEBS-CABCVRRESA-N 363.421 2.432 0 1 FEAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCOCCO 4213620 BWTXJVUGVUDTEA-IAGOWNOFSA-N 352.431 2.419 0 1 FEAF O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NCC3)s1 103231565 HEIJTLZVXICOOS-MDWZMJQESA-N 355.444 2.046 0 1 FEAF COc1ccc2c(c1)CCN1C[C@H]3CCCN(S(C)(=O)=O)[C@@H]3C[C@@H]21 26170503 JKDBLHWERQWYKF-OLMNPRSZSA-N 350.484 2.038 0 1 FEAF CC[C@]12CCCN3C[C@H](O)c4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32 2356330994 TXHURIYMDHQMPV-DZLUEKEQSA-N 370.449 2.443 0 1 FEAF O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3n[nH]cc3[C@H]1C[C@H](CO)C2 114842930 CDRQZZJANOQFIF-NSODJVPESA-N 367.858 2.122 0 1 FEAF CC=C(CO)C(=O)O[C@@H]1CC(C)=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@H]21 2356769952 RUKZGUMJTZMSDC-ZSGPHXLJSA-N 364.438 2.063 0 1 FEAF NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn(Cc3ccccc3)cc1-2 66074583 LEWFTXFYYKGWEQ-UHFFFAOYSA-N 367.434 2.348 0 1 FEAF CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@@H]1c1ccc(F)c(Cl)c1 61958831 XPELCRQQVMFOPV-CYBMUJFWSA-N 362.810 2.137 0 3 FEAF O=C1c2cc3c(cc2OCN1CCc1cccnc1)C(=O)N1CCC[C@H]1O3 72174976 MNJOXIBQQUPHLH-GOSISDBHSA-N 365.389 2.071 0 1 FEAF COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 95566206 CQDKZYPQPMHYAR-CYBMUJFWSA-N 361.394 2.218 0 1 FEAF CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(CCc2ccccc2)C1=O 96285039 JYYUDJWYURZBGU-LPHOPBHVSA-N 365.477 2.301 0 1 FEAF CC[C@@H](O)c1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12 140182642 NUJDBYIZEFSXJP-CQSZACIVSA-N 367.388 2.322 0 1 FEAF COc1ncc(F)cc1-c1nc2c(S(=O)(=O)N(C)C)cccc2[nH]1 587175471 DWJWVMICYPAANV-UHFFFAOYSA-N 350.375 2.023 0 1 FEAF OCCN1CCN(c2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1 1772583737 GVANUSPDJMCBIK-UHFFFAOYSA-N 357.845 2.164 0 1 FEAF COc1ccc(OC)c(-c2csc(NC(=O)C3=NNC(=O)CC3)n2)c1 5858192 ZMAOVEOLIINQFV-UHFFFAOYSA-N 360.395 2.032 0 3 FEAF C[C@@H]1CCC/C=C/[C@@H]2C[C@@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C\C(=O)O1 13099561 ZZWKZQDOSJAGGF-INEZFLPZSA-N 365.470 2.075 0 1 FEAF C[C@@]12CC[C@H]3[C@@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]1C[C@H](C1=CCOC1=O)O2 169674240 QTYVPMSAPQBXMM-AZFOIECZSA-N 350.455 2.203 0 1 FEAF COC(=O)/C(=C/Cc1ccc(O)cc1O)[C@H](Cc1ccc(O)cc1O)OC 207057381 XOIYYFFWMNRCSJ-NXNKFBBFSA-N 374.389 2.409 0 1 FEAF NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SCc1ccccc1 1857555632 ANNKSEHPPUSPLF-UHFFFAOYSA-N 356.856 2.379 0 1 FEAF Cc1nc(O)cc(-n2ccc(C(=O)N3CCC(C(F)(F)F)CC3)n2)n1 1857601470 AZEQBMXYRBELJQ-UHFFFAOYSA-N 355.320 2.091 0 1 FEAF CC1(C)OCCn2c1nc(-c1ncc(Cc3ccc(F)cc3)[nH]1)c(O)c2=O 116817554 PACNXIRRWGNUJJ-UHFFFAOYSA-N 370.384 2.334 0 1 FEAF COc1cccc(CNC[C@@H](O)COc2ccc3[nH]c(=O)ccc3c2)c1 3644426 SMFUDVJKOUBSBI-MRXNPFEDSA-N 354.406 2.066 0 1 FEAF investigational N=C1CCC[C@@H](C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)N1 64527896 HZHJCKDWMOAWJH-NEWSRXKRSA-N 362.493 2.072 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@]2(O)C(=O)CC[C@H](C)[C@]12C 2356507888 JRRUBQLITXADFJ-IEEDIGCKSA-N 360.406 2.372 0 1 FEAF COCCN1CCN(Cc2cccc(C(=O)N3CCCCCC3)c2)CC1 22938988 RHVWACZNCVCYSL-UHFFFAOYSA-N 359.514 2.467 0 1 FEAF CC(C)CCN(C)Cc1cn(C[C@@H](O)COC(=O)C2CCCCC2)nn1 73197196 JXIIGKAMINXKBI-GOSISDBHSA-N 366.506 2.240 0 1 FEAF CCCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)[C@@H](C)CN2 82212014 XAVBPKNJAGIBSI-ZDUSSCGKSA-N 358.442 2.417 0 1 FEAF O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccnn2)C1 95565331 SKDXWFWUFYBIRO-UHFFFAOYSA-N 358.764 2.184 0 1 FEAF O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc(Oc2ccccc2)cc1 98209548 DAKJFQHVJAEZED-UHFFFAOYSA-N 352.346 2.339 0 1 FEAF in-vitro CCN1CC[C@@]2(C(=O)N(C)C)CCN(C(=O)Cc3ccccc3)CC[C@@H]12 96263646 NBALBONKZRIFAA-WIYYLYMNSA-N 357.498 2.020 0 1 FEAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c2c(c3c1OC(=O)C3)CC(=O)O2 587944794 IWOUFUNYFBMYLR-GFCCVEGCSA-N 364.260 2.033 0 1 FEAF O[C@@H](c1nc2cc(I)cnc2[nH]1)C1CCOCC1 586912898 HLPPQCLYSGDHNH-SNVBAGLBSA-N 359.167 2.023 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586901896 IWYYLMMLXZLFNJ-WMLDXEAASA-N 357.435 2.382 0 1 FEAF COC(=O)[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617918 REQCACWMVJOMCK-OWZDWXTDSA-N 370.357 2.302 0 1 FEAF COC(=O)Cc1ccccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587783356 PPNGNJCUXPQGFN-UHFFFAOYSA-N 373.434 2.196 0 1 FEAF C/C(N)=C1\C(=O)OC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587746834 IESPUYMTUNYPIK-CFUWLPNISA-N 355.207 2.107 0 1 FEAF COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1cccc(OC)c1 13125865 PRYHYKXLJSJGKQ-MRXNPFEDSA-N 362.382 2.073 0 3 FEAF Cc1ccnc(N(Cc2ccccc2)C(P(=O)(O)O)P(=O)(O)O)c1 13643266 LLUKRXGATSFVCD-UHFFFAOYSA-N 372.254 2.036 0 1 FEAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C\c2cccc(C(=O)O)c2)C(=O)O1 169345963 HNXGPIHBAOCZTI-MOXPCZPISA-N 362.378 2.036 0 1 FEAF COc1cc([C@@H]2C(=O)NC(=O)N2c2cccc(O)c2)cc(OC)c1OC 1857644857 AQLFFGKYKHIFIH-OAHLLOKOSA-N 358.350 2.216 0 1 FEAF OC[C@@H]1[C@H](O)C[C@@H](NCC2CC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356288696 JGLRXEWNKTVFPW-PIKOESSRSA-N 371.456 2.183 0 1 FEAF CCCC(=O)N1CC[C@]1(C)C(=O)Nc1cc(OC)c(OC)c(OC)c1 61902724 ODFWUBGTDPUDBY-GOSISDBHSA-N 350.415 2.442 0 3 FEAF CC(C)CN1C(=S)N(CC2CCCCC2)[C@H]2[C@@H]1[C@@H]1C[C@H](O)[C@@H]2OC1=O 2356856732 SDBXXEXESKKOIF-WOYTXXSLSA-N 366.527 2.169 0 1 FEAF COC[C@@H](NC(C)=O)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 49112702 XDQUOPFRKZAPEW-LJQANCHMSA-N 374.412 2.172 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@@H]23)cc1 95874045 SCIKXZDFHNNAJM-ICPKNQAFSA-N 371.525 2.032 0 1 FEAF CC1(C)Oc2ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2[C@H](O)[C@H]1O 40392217 SJILHXXGADEART-ZYSHUDEJSA-N 372.373 2.370 0 1 FEAF biogenic CNS(=O)(=O)c1ccc(CCc2nc3cc(Cl)cnc3[nH]2)cc1 586947263 VJKPABLGHRUAOT-UHFFFAOYSA-N 350.831 2.305 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1ccnc(N4CCOCC4)c1)[C@@H](C2)C3=O 587444855 RDHYOCWOSATCTB-YWZLYKJASA-N 352.390 2.416 0 1 FEAF N=c1[nH]c2nc([C@H](N)Cc3cccc(Br)c3)nc-2c(Cl)[nH]1 586984251 PEMNPSLINBKDIL-MRVPVSSYSA-N 367.638 2.375 0 1 FEAF COCCn1cc(NC(=O)c2csc(-c3nncn3C(C)C)n2)cn1 1772601639 NWXGFDVFXJMUDD-UHFFFAOYSA-N 361.431 2.078 0 1 FEAF O=C1CC(N2CCOCC2)=NC(=O)N1c1ccc(Br)cc1 201489267 ZHUXGTPIXRDTJO-UHFFFAOYSA-N 352.188 2.037 0 3 FEAF O=c1cc(N2CCOCC2)[nH]c(Cc2nc3cc(F)ccc3n2C2CC2)n1 68249672 MTHPQWCRVGFTAP-UHFFFAOYSA-N 369.400 2.021 0 1 FEAF CC=C1CN(C=O)[C@H]2C[C@H]1[C@H](C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 2356553095 NKMFTVSMLXLPDB-QCKFJMSFSA-N 368.433 2.063 0 1 FEAF C[C@]1(C(=O)NCc2ccc3c(c2)OCO3)CCN1C(=O)Cc1cccs1 61925975 CYUAMLUKKQEWAQ-LJQANCHMSA-N 372.446 2.327 0 3 FEAF CCc1nc([C@H]2CN(C)C[C@@H]2C(=O)Nc2ccc3[nH]ncc3c2)c(C)[nH]1 71754118 GUKKCNZOTAFQPI-GJZGRUSLSA-N 352.442 2.441 0 1 FEAF C[C@H]1C[C@H](C)CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 32998031 MBCNILKFJNYBKB-KKUMJFAQSA-N 358.438 2.315 0 1 FEAF COc1cc(C[C@H]2COC(=O)[C@H]2Cc2ccc(O)c(OC)c2O)ccc1O 14646652 FAGBSURUGYTNKL-KBPBESRZSA-N 374.389 2.395 0 1 FEAF biogenic O=C(Nc1cccc2ccccc12)OC[C@H]1CSCCS(=O)(=O)N1 72136483 LKJSHQQBCVSIQC-ZDUSSCGKSA-N 366.464 2.423 0 1 FEAF C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 194976169 VHCBVNYAJHXYLS-QJYLANQSSA-N 369.461 2.162 0 1 FEAF O=CN1c2ccccc2[C@@]23CCN4CCC[C@]5(CC[C@]12[C@H](C(=O)O)C5)[C@H]43 238788547 YJKNDUBIWGQYFI-NWRWZVFGSA-N 352.434 2.392 0 1 FEAF O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@@H]2N(Cc2ccc3ccccc3n2)C1 299843876 ZBSRUCGKTGSJEH-RYGJVYDSSA-N 351.450 2.493 0 1 FEAF CCc1cnc(N2CC[C@H]3CN(CCC(C)C)S(=O)(=O)[C@@H]3CC2)nc1 299842274 FIHJKFSKJOZLKV-DLBZAZTESA-N 366.531 2.316 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CN2CCN(C)CC2)N1 587767513 REKCBPGNDFJHRP-RISCZKNCSA-N 356.283 2.411 0 1 FEAF CC1CCC(NS(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCO4)CC1 586952030 AREKUYYUKUVWCR-UHFFFAOYSA-N 351.428 2.290 0 1 FEAF CC1=C([C@]2(C)NCCc3c2c(C(C)C)nn3C)[C@@H](C)n2ncnc2N1C 962919479 KSCFMJCYVZPBOH-YJYMSZOUSA-N 355.490 2.481 0 1 FEAF Cc1c(-c2ccc(F)c(F)c2)sc2c1c(=O)n(CCCO)c(=O)n2C 1772576350 OAKGGCIOUDTIJN-UHFFFAOYSA-N 366.389 2.398 0 1 FEAF CCOC(=O)CCc1c(C)nc2nc(NCc3cccs3)nn2c1O 15668936 BOPKAHOZQNGXLC-UHFFFAOYSA-N 361.427 2.308 0 1 FEAF COCCN1Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2C1=O 206066048 MDZMKENJONVOKI-UHFFFAOYSA-N 350.378 2.417 0 1 FEAF Cc1cc(C(=O)[C@H]2C(=O)Nc3ccccc32)c(C(=O)N2CCCC2)c(O)n1 1857769249 IKXQCSKASDGJSE-HNNXBMFYSA-N 365.389 2.250 0 1 FEAF Cc1ccc(NC(=O)CCc2c(C)nc3nc(CN)nn3c2C)cc1C 6808275 HEPUHFJOMJMRAT-UHFFFAOYSA-N 352.442 2.388 0 1 FEAF CNC1(C)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 27420938 UXCMKYWTPWHUIC-UHFFFAOYSA-N 363.364 2.111 0 1 FEAF O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccsc1 28878983 VDWLDXRYAOLMPJ-UHFFFAOYSA-N 370.478 2.458 0 1 FEAF COc1cc(O)c2c(c1)[C@]13CCN4CC[C@@H](C[C@@H]1N2C(C)=O)C1=CCO[C@]143 2356423395 XORSOONLULVOCT-OZOMQSQASA-N 368.433 2.156 0 1 FEAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H](OC(=O)C(=CCO)CO)CC(C)=CCC1 2356611312 RYZYAGBFMJKAJG-BZZMCLGOSA-N 364.438 2.063 0 1 FEAF CC=C1CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2Cc1c3[nH]c2ccc(O)cc12 2356736962 FRCLXVJYJUQIJH-HVSHLEFESA-N 368.433 2.273 0 1 FEAF c1csc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCC5CC5)CO[C@@H]34)n2)c1 2356873903 YJZZZDLUMVTNJY-ABFRBSLYSA-N 358.467 2.151 0 1 FEAF CN1C[C@@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C(N)C1=O 73168781 ARWLTZWIOYRTKV-SFHVURJKSA-N 371.828 2.032 0 1 FEAF COC(=S)NC[C@H]1CN(c2ccc3c(c2)-n2cccc2COC3)C(=O)O1 33488743 FSQKREKRQLHTJL-HNNXBMFYSA-N 373.434 2.354 0 1 FEAF in-vivo CC1CCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccco3)n2)CC1 82141990 KMSIWPMYORJVDS-UHFFFAOYSA-N 356.426 2.445 0 1 FEAF CN1CCN(C(=S)SCc2cn(Cc3ccc(F)cc3)nn2)CC1 96285693 ABVZUNXURVCPDA-UHFFFAOYSA-N 365.503 2.231 0 1 FEAF O=C(c1ccncc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95797542 DCEANNCXJGUAAB-UXHICEINSA-N 363.461 2.147 0 1 FEAF Cc1ccc(O[C@H]2C[C@H]3CN(C(=O)Cc4ccccn4)CCN3C2)cc1 299841803 OHQYBJNYBBQRHS-ICSRJNTNSA-N 351.450 2.297 0 1 FEAF COC(=O)[C@](C)(O)[C@@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962717840 QZUOHNAZKYJSGT-RZAIGCCYSA-N 353.459 2.329 0 1 FEAF O=C1CCc2ccccc2N1CCCCN1CCN(c2ncccn2)CC1 13558473 FOOPCPGYRROAIN-UHFFFAOYSA-N 365.481 2.358 0 1 FEAF COc1ccc([C@H](O)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O 13652373 GNUFQAYMLAQRQN-IRXDYDNUSA-N 350.367 2.194 0 1 FEAF C[C@@H]1C[C@H](O)Oc2cc(O)c3c(c21)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3 15113608 KLFQXCVGEVYPOF-AZECWCAXSA-N 360.362 2.045 0 1 FEAF biogenic C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cnn(C)c4)c(=O)n1c23 1857573518 MZIFTQOKZAGIEG-JTQLQIEISA-N 370.384 2.017 0 1 FEAF Cc1ccccc1CS(=O)(=O)C[C@H]1Nc2cc(C(=O)O)ccc2NC1=O 3031808 IKDCZTWLVYGYFI-MRXNPFEDSA-N 374.418 2.041 0 1 FEAF C[C@@]1(O)OC(=O)C(c2ccsc2)=C1c1ccc(S(C)(=O)=O)cc1 13488618 IJCAHTOZDZAWMG-MRXNPFEDSA-N 350.417 2.328 0 1 FEAF C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CNC2=O)cc1 13642984 XFFCUJYCBFPUOA-JTQLQIEISA-N 353.382 2.086 0 1 FEAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@]12O)[C@@](O)(CO)C3 14812177 YTQXQYMNEBKZSN-PONYZATCSA-N 352.471 2.322 0 1 FEAF biogenic COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCC(C)C)CO[C@@H]23)cc1 25229779 NJCDZILXYSAIGJ-HZMVEIRTSA-N 350.415 2.024 0 1 FEAF biogenic COc1cc(C[C@@]2(O)c3ccccc3C3=NCCN32)cc(OC)c1OC 26263911 AXWBXWNUVRFQLH-HXUWFJFHSA-N 354.406 2.176 0 1 FEAF CCOC(=O)[C@@H]1[C@@H](O)[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 29042165 XETGZIYAYIKTDY-QRGGPHLOSA-N 366.461 2.067 0 1 FEAF C[C@H]1N[C@H](C)N(CCN2C(=S)S[C@@H](C)N[C@H]2C)C(=S)S1 39959909 JZFICWYCTCCINF-JXUBOQSCSA-N 350.604 2.217 0 1 FEAF in-vitro COc1nc2c(c(OC)n1)[C@H](c1ccc(F)c(OC)c1)C1=C(COC1=O)N2 71297134 DRRUAQLTKQQTLH-GFCCVEGCSA-N 373.340 2.010 0 1 FEAF CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](C)[C@@H](CN(C)C)O2 95662359 WBJUOJVUYWEJEO-CXAGYDPISA-N 362.474 2.247 0 1 FEAF O=C(NC[C@@H]1CCCNC1)c1ccnc2[nH]c(Cc3cccs3)nc12 144296892 KZGINSXQBZOJCR-GFCCVEGCSA-N 355.467 2.340 0 1 FEAF Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3OCCO)c12 169686627 GNHWMYODQMZRDJ-UHFFFAOYSA-N 362.386 2.352 0 1 FEAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 586950176 BPYKSWZYVYLOQA-UHFFFAOYSA-N 365.440 2.164 0 1 FEAF COC(=O)c1cc2[nH]c([C@H](C)NC(=O)CC(F)(F)F)nc2cc1OC 587094219 NEFAKBUZVWGDOP-ZETCQYMHSA-N 359.304 2.488 0 1 FEAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](CC(=O)OC)C(=O)OC)CC2=O 587479148 KLNLVBXWUFWGEJ-BFUOFWGJSA-N 364.394 2.421 0 1 FEAF C[C@@H]1CN(C2CC2)C[C@]12N[C@@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12 962628728 HMHJCJGULPFZBX-JUKMUDQWSA-N 370.371 2.494 0 1 FEAF CCOC(=O)[C@H]1Cc2ccccc2[C@@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962897590 MUTWWIMUJGEKML-LDBYXDLTSA-N 369.392 2.404 0 1 FEAF COC(=O)C(=O)C[C@]1(C(C)C)NCCc2cnc3c(OC)cccc3c21 963054228 HVWWYVKMZWKRKJ-HXUWFJFHSA-N 356.422 2.373 0 1 FEAF COCCNc1[nH]c(=NCc2cccc(C(F)(F)F)c2)[nH]c2ncnc1-2 1857546461 XQARGJAPYGWPPS-UHFFFAOYSA-N 366.347 2.416 0 1 FEAF COCCCN1C[C@H]2[C@H](CNC(=O)c3nc(C(C)C)c4ccccn34)[C@H]2C1 1857760632 RJKVTIQAVQBTOO-OSYLJGHBSA-N 370.497 2.402 0 1 FEAF OC[C@H]1O[C@@H](n2c3ccc(Cl)cc3c3c(Cl)ncnc32)[C@H](F)[C@@H]1O 1857769710 NRJGGAVDFRCGQU-SDBHATRESA-N 372.183 2.480 0 1 FEAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)[C@H]5C[C@@]4(C(=O)O5)[C@H]3CC[C@]12C 2356431983 MUDOTJJLSYDVMT-IENIQTPTSA-N 360.450 2.002 0 1 FEAF O=C1OC[C@@H](Cc2cc3c(cc2O)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 2356530872 USDSELQVFVZGHP-KGLIPLIRSA-N 370.357 2.424 0 1 FEAF Cc1ccccc1CN1CCN2C=C(C(=O)N3CCCCC3)OC2=NC1=O 74380137 PKJNROYKOHZDAU-UHFFFAOYSA-N 368.437 2.473 0 3 FEAF C[C@H]1[C@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1Cl 3795945 FGAPXYWEQVSGDJ-JVXZTZIISA-N 365.792 2.363 0 1 FEAF COc1ccc(CC[C@H](C)NC[C@@H](O)c2ccc(O)c(C(N)=O)c2)cc1 27743818 VIYGIYCGBJATKS-ORAYPTAESA-N 358.438 2.144 0 1 FEAF CCNC(=S)SC[C@](O)(Cn1cncn1)c1ccc(F)cc1F 103264649 IHRLSNKLZCSCJM-CQSZACIVSA-N 358.439 2.072 0 1 FEAF C[C@H](O)[C@@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356505472 FTIPFRDCMUGVRU-QNUQJIPSSA-N 352.515 2.473 0 1 FEAF COc1ccc2nc(NC(=O)Cn3nc(C)n4cccc4c3=O)sc2c1 20467180 BQEGGHFOAFONLF-UHFFFAOYSA-N 369.406 2.061 0 1 FEAF COc1ccc2nc(CO[C@@H]3CN(Cc4nccn4C)C[C@H]3F)[nH]c2c1 2356697344 FELIIWBEOOHFKO-CZUORRHYSA-N 359.405 2.044 0 1 FEAF C[C@H](O)COC[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1 38278894 CDKPAWCGPQDCGU-QFBILLFUSA-N 357.450 2.450 0 1 FEAF in-vivo COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5C[C@H]43 148633485 ZTHVHELPCLGXHF-FYHNCAPNSA-N 364.445 2.101 0 1 FEAF in-vitro Cn1c(N)nc([C@H]2C[C@H]2c2ccc(-c3cccc(C(N)=O)c3)cc2)cc1=O 95557238 MEULXHOISDFMIF-IRXDYDNUSA-N 360.417 2.400 0 1 FEAF C/C=C1/CN2CC[C@@]34C(=Nc5ccccc53)[C@](CO)(C(=O)OC)[C@@H]1C[C@H]24 238731906 DSOCELULQRKOMA-NYDYNPMXSA-N 352.434 2.216 0 1 FEAF CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F 95794009 NBCYIGRVNZFJGW-ZBFHGGJFSA-N 356.388 2.390 0 1 FEAF Cc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NC[C@@H]1CCCC[C@H]1O 95583960 GYNCQPYGZOWVES-DLBZAZTESA-N 373.497 2.385 0 1 FEAF O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccn1 263590854 VWHMETCACPXFRC-LBTBCDHLSA-N 353.422 2.388 0 3 FEAF COC(=O)c1ccnc2[nH]c(-c3cnn4cc(Br)cnc34)nc12 587007562 AMUUTDWRSZZLRB-UHFFFAOYSA-N 373.170 2.217 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C(=O)N(c4ccccc4)N(C)[C@@H]1C)[C@@H](C2)C3=O 587436938 VQIHRCOREWJGIO-PKQAIAMASA-N 364.401 2.464 0 1 FEAF CCOC(=O)C[C@@]1(CSCC)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963511593 UDKQRVAEFBRWBN-KSSFIOAISA-N 367.467 2.201 0 1 FEAF C[C@H](C(=O)NS(C)(=O)=O)c1ccc(N2Cc3ccccc3C2=O)cc1 13646063 QOPAICALVSGXDH-LBPRGKRZSA-N 358.419 2.026 0 1 FEAF O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1ccoc1 2483241 WQJIHWPHQMDFJG-UHFFFAOYSA-N 360.341 2.479 0 1 FEAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(C2CC2)n1 2356289317 TVPGDCXMOCSFCS-MHTWAQMVSA-N 367.493 2.353 0 1 FEAF CC=C(C)[C@H](O)[C@H](C)C=C[C@H](O)[C@H](C)[C@H](O)C[C@H]1CC(O)=CC(=O)O1 2356472645 DPLVZZAZGYXULT-GGECFJTPSA-N 354.443 2.011 0 1 FEAF C[C@@H]1OC=C(C(=O)O)[C@@H]2C[C@@H]3N(CC[C@]34Nc3ccccc3C4=O)C[C@H]12 2356632176 XJBQLDFXLQMHKY-QAJJSWIFSA-N 354.406 2.131 0 1 FEAF COc1ccc(CN2CCC[C@@H](O)[C@@H](NC(=O)c3ccc(O)cc3)C2)cc1 2356864248 VSVFHZOTKZOVAD-VQTJNVASSA-N 370.449 2.156 0 1 FEAF CC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO 95871368 XKQHUHPFRGDKHZ-RZUBCFFCSA-N 364.445 2.179 0 1 FEAF COc1ccc(OC[C@H]2CN(C3CCCC3)S(=O)(=O)CCO2)cc1 96021256 BWDSXXZYCBWCOP-QGZVFWFLSA-N 355.456 2.047 0 3 FEAF CCOC1=Nn2c(CCC(=O)c3nc4ccccc4[nH]3)nnc2SC1 95586337 WCZMCUKNJIBDTK-UHFFFAOYSA-N 356.411 2.274 0 1 FEAF C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@]1(CCO[C@H]1O)O2 238744751 PZPXCEHEWWBOLN-XRCRNOGCSA-N 354.487 2.219 0 1 FEAF CCC(=O)CC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 299827663 QDJQIWDYHZXLGR-DVIXPQAGSA-N 368.470 2.222 0 1 FEAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccccn2)([C@@H]2CCNC2)N1 963229681 PRAKOSIPPYPKOS-YFYZNPQRSA-N 374.444 2.082 0 1 FEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Nc1cnc2ccccc2c1 13150607 ZJEUUDOBFLQKBE-ODSSTKGDSA-N 373.412 2.226 0 1 FEAF O=C(c1cc2ncc(Br)cn2n1)N1CCc2cccnc2CC1 150217666 TZWRDBPOCJQISB-UHFFFAOYSA-N 372.226 2.128 0 1 FEAF CC(=O)[C@@H]1CO[C@@H](O)[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 169637769 XSCQMBRUSKHLQE-PSXZQQPGSA-N 364.482 2.185 0 1 FEAF COc1cccc2c(=O)n(-c3ccc(C)cc3)c(N3CCN(C)CC3)nc12 1857613017 ZIHDFZJUSLRJPV-UHFFFAOYSA-N 364.449 2.455 0 1 FEAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc2ccc(F)cc2[nH]1 1857757487 OEAJRXMHKFJQDF-INIZCTEOSA-N 358.373 2.254 0 1 FEAF COc1ccccc1CC1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 1857774456 OEARPLVAINNZKZ-UHFFFAOYSA-N 361.419 2.287 0 1 FEAF CC1(C)Oc2ccc([C@@H]3COc4cc(O)cc(O)c4C3=O)c(O)c2C[C@H]1O 2356414527 YACZUBKNMXSTQK-BLLLJJGKSA-N 372.373 2.237 0 1 FEAF CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491917 SNYLIMBYESDBIA-CQSZACIVSA-N 365.499 2.231 0 1 FEAF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1ccc(C(=O)O)cc1)C(=O)C2 3306036 UGCVKHLTCDLYDY-KSSFIOAISA-N 365.451 2.200 0 1 FEAF CN1C(=O)[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccccc3)[C@@H]2C1=O 101789478 DIJLPIGOFMVRRF-LPHOPBHVSA-N 372.384 2.257 0 1 FEAF Cc1c(C(N)=O)sc2ncnc(Nc3cccnc3O[C@@H](C)CCN)c12 118820201 HTVNCUQKQNWSAE-VIFPVBQESA-N 372.454 2.353 0 1 FEAF NC(=O)C1CCN(c2nccc(-c3ccc4c(c3)OCCCO4)n2)CC1 66136385 VIIRWULBAHZBEI-UHFFFAOYSA-N 354.410 2.007 0 1 FEAF O=S(=O)(c1ccccc1)c1ccc2c(c1)OCC[C@H]2N1CCNCC1 35966383 USWXZGSONCJPGJ-GOSISDBHSA-N 358.463 2.248 0 1 FEAF COc1cc2c(cc1OC)[C@@H](c1ccc(C)cc1)N(S(N)(=O)=O)CC2 40875955 WEEXCXWHPJKSLL-GOSISDBHSA-N 362.451 2.163 0 1 FEAF COC(=O)c1nc(Sc2ccc(C)cc2)n(COCCOC(C)=O)n1 49037636 YUXVQWPSGOYYPV-UHFFFAOYSA-N 365.411 2.062 0 1 FEAF Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc3c(n2)C[C@@H](CN)CO3)n1 224869019 KKZJKNBXDCSEGW-ZDUSSCGKSA-N 373.420 2.091 0 1 FEAF COc1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3ccncc3)C(=O)O2)cc1 45484222 WMHJQZNDOYVBOS-IKXXZMEWSA-N 369.373 2.009 0 1 FEAF CCC(=O)O[C@H]1C[C@H]2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 238771229 HDZLTIJNQKKGDY-GJZCBWIFSA-N 373.405 2.084 0 1 FEAF CCCOc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O 378155745 DVIXZVXMUQKCKZ-UHFFFAOYSA-N 371.158 2.124 0 1 FEAF COCCCN1C[C@@H]2C(NC(=O)c3nc(C(C)C)n4ccccc34)[C@H]2C1 653805020 SCKDVADFQUUMKD-GJZGRUSLSA-N 356.470 2.154 0 1 FEAF COc1cc2c(c(OC)c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 587398936 GSJKRNVGSQQRIE-LJQANCHMSA-N 354.362 2.407 0 1 FEAF C[C@H]1CN(C[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)C[C@@H](C)O1 587654674 MZRXKEZPBQXWQZ-RWMBFGLXSA-N 363.845 2.435 0 1 FEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(Br)c2[nH]1 587203892 NHZAWMKHLCXRFY-NSHDSACASA-N 367.247 2.404 0 1 FEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587256314 FRFAZMYYNZPRFS-GFCCVEGCSA-N 359.405 2.489 0 1 FEAF Nc1ncnc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c12 586999791 IEWMGZGILFBUCC-UHFFFAOYSA-N 374.154 2.177 0 1 FEAF Oc1nc(S)nc2[nH]c(-c3cncc(I)c3)nc12 587185004 OQCYQDLPXQHOMW-UHFFFAOYSA-N 371.163 2.014 0 1 FEAF COC(=O)C[C@]1(c2cnn(C)c2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962634211 QHGRTFAUYOGOOJ-XCLFUZPHSA-N 373.453 2.120 0 1 FEAF CN1CCc2c(Br)cccc2[C@@]1(C)CN1C(=O)CCC1=O 963278985 DDEBCARENDHPEK-MRXNPFEDSA-N 351.244 2.301 0 1 FEAF O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nccs1 3645020 ZMRRWMLGIBHURV-IKARSPCKSA-N 359.451 2.449 0 1 FEAF Cc1cccc(N2CCN(C(=O)[C@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)C[C@@H]2C)c1 6740952 HNDZRQJGPQMPEA-SFGZTYNLSA-N 354.450 2.230 0 1 FEAF N=C(N)c1cccc(OCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 26381123 NLOCDDJRDVHJMJ-UHFFFAOYSA-N 366.421 2.224 0 1 FEAF Cc1ccccc1-n1c(=O)c(F)cn([C@H]2OC(=O)c3ccccc32)c1=O 28229622 PTOCXGTYNWPGKY-KRWDZBQOSA-N 352.321 2.164 0 1 FEAF Cc1cc2cc3c(c(O)c2c(O)c1[C@@H](C)O)C(=O)[C@](C)(O)C(=O)C3(C)C 2356659946 YVDOHZGVZDOOCW-YBYGRFCBSA-N 358.390 2.407 0 1 FEAF CC=C1CCN2CC[C@]34c5ccccc5N(C)[C@@]23C(=O)[C@H]1[C@H]4C(=O)OC 2356726870 YYLPGHZHHLOGDL-OVQGTLEDSA-N 352.434 2.114 0 1 FEAF COc1cc(CC(=O)NC[C@H](COC(C)=O)Cc2ccccc2)ccc1O 26747225 SDBDAJZONYAZGT-GOSISDBHSA-N 371.433 2.482 0 1 FEAF COc1nc2c(c(OC)n1)[C@@H](c1ccc(F)c(OC)c1)C1=C(COC1=O)N2 71297133 DRRUAQLTKQQTLH-LBPRGKRZSA-N 373.340 2.010 0 1 FEAF O=C(CN1C(=O)c2ccccc2C1=O)OC[C@H]1CCCN2CCCC[C@@H]12 195515399 GJCQCBQSFMXFTI-PBHICJAKSA-N 356.422 2.090 0 1 FEAF O=C(NCCO)c1c(N2CCCCC2)cc(-c2ccc(F)cc2)oc1=O 84730837 WKDVMZRVKRYTTI-UHFFFAOYSA-N 360.385 2.158 0 1 FEAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CCC1)CC3 82196243 HBRNFRVUBQGXCO-UHFFFAOYSA-N 352.394 2.206 0 1 FEAF Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cnccn4)C3=C2)cn1 149232166 XQYOSFWYGIFQFP-UHFFFAOYSA-N 370.416 2.335 0 1 FEAF CC(C)[C@H](CO)Nc1nc(Nc2ncccn2)c2ncn(C(C)C)c2n1 95593847 RQMFTTZNRWHFLF-LBPRGKRZSA-N 356.434 2.370 0 1 FEAF COCCNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587869612 NNKDLEZTRADVAR-UHFFFAOYSA-N 360.361 2.342 0 1 FEAF O=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)c1scc2c1OCCO2 12746545 VMMNLHOSYKQVKG-ZDUSSCGKSA-N 364.467 2.430 0 1 FEAF Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCCCN1CCCC[C@H]1C)O2 13132096 NLAGBQUFKUYVAV-QAPCUYQASA-N 359.470 2.465 0 3 FEAF CC1(C)Oc2cc(O)c3c(c2C[C@@H]1O)OC[C@H](c1ccc(O)cc1O)C3=O 13416202 YBSZKJGFDYIZGI-WBMJQRKESA-N 372.373 2.237 0 1 FEAF endogenous,in-man COc1cc(-c2nc(S(C)(=O)=O)n[nH]2)ccc1OCc1ccccc1 1857751174 WDNBKEUPZFRQFQ-UHFFFAOYSA-N 359.407 2.463 0 1 FEAF Nc1nc2c(s1)C[C@H](CNC(=O)c1cc(Br)c[nH]1)CC2 103278153 MYQPPJPFDPDLOC-SSDOTTSWSA-N 355.261 2.351 0 1 FEAF CSc1ncnc2c1ncn2CCCNCc1ccc2c(c1)OCO2 61922463 WBKFQCSJZOABNS-UHFFFAOYSA-N 357.439 2.457 0 3 FEAF c1cc(N2CCCNCC2)nc(-n2ncc3cnc(-c4cn[nH]c4)cc32)c1 211053378 CYOQMLSODZDBGH-UHFFFAOYSA-N 360.425 2.005 0 1 FEAF CCCC[P@@]1(=O)O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O 146453297 BASPGTBXGXQYJJ-XJPKVNQNSA-N 364.375 2.453 0 1 FEAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(N)c(N)cc4[nH]3)cc12 587037651 MDVBQXCCLBZRTC-MRVPVSSYSA-N 369.454 2.475 0 1 FEAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587259272 BIVKEDZYUMNGJD-AWEZNQCLSA-N 364.384 2.229 0 1 FEAF CC(C)Oc1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 586939901 TYZPQASJJQBXRP-NSHDSACASA-N 363.443 2.123 0 1 FEAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@]2(CCn3ccnc32)N1 962647903 ZBEINMXIMFBETL-DOMZBBRYSA-N 353.300 2.028 0 1 FEAF O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1ccc(Cl)cc1 13612299 AWTLBSRRXAVXSX-UHFFFAOYSA-N 355.737 2.491 0 1 FEAF CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@@H]4[C@@H](CC2=O)[C@H](CO[C@@H]4C)[C@@H]13 14717946 FMZMLKGLGADCPQ-MOWGJFSGSA-N 368.477 2.235 0 1 FEAF Cc1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)s1 150338574 ZYECGCRLWLBAIN-UXOAXIEHSA-N 374.466 2.153 0 1 FEAF CC(C)(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O 58582748 VVGXLRREHSRFOF-UHFFFAOYSA-N 366.465 2.471 0 1 FEAF COc1ccc(-c2nnc(S)n2NC(=O)CN(C(C)C)C(C)C)cc1 103210532 MJSDYHMQCYEPBT-UHFFFAOYSA-N 363.487 2.431 0 1 FEAF CS(=O)(=O)c1ccc(/C(CO)=C(/C(=O)O)c2ccc(F)c(F)c2)cc1 28472929 BBXRCRDBVOHCNF-DTQAZKPQSA-N 368.357 2.356 0 1 FEAF CN1C[C@@H](N(C)C)CCC[C@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356302598 ZUFLRAWCIAKUSH-YOEHRIQHSA-N 367.440 2.160 0 1 FEAF CN1CCN(CCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 22930400 VPELVPDSELHKHY-UHFFFAOYSA-N 359.495 2.376 0 1 FEAF Nc1ncc(-c2ccc(C3(c4noc(-c5c[nH]cn5)n4)CCC3)cn2)cn1 114767968 AMBCZQPRTSZPKV-UHFFFAOYSA-N 360.381 2.364 0 1 FEAF CCCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cn[nH]c3)CC2)[C@H]1O 20777829 OKTGYWQMCLETEH-MOPGFXCFSA-N 368.481 2.341 0 1 FEAF CCN([C@H](CO)C(C)C)S(=O)(=O)c1ccccc1Br 61944690 BYRJBEFRESXEHQ-GFCCVEGCSA-N 350.278 2.477 0 3 FEAF CO[C@@]12CC[C@@]3(CO1)[C@@H]1CCC[C@H](OC(C)=O)[C@@H]1C[C@@H]1OC(=O)[C@@]2(C)[C@H]13 2356587333 HXIZZPINGVXRRQ-UJCHQGQXSA-N 364.438 2.439 0 1 FEAF COC(=O)[C@@H](CCCNC(=O)c1ccccc1)NC(=O)c1ccccc1 13438256 TZFXRUPMRRWRQX-QGZVFWFLSA-N 354.406 2.168 0 1 FEAF biogenic CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(C[C@H]2CCCO2)c1=O 45385304 DKNCBLDJWHXXIC-OAHLLOKOSA-N 368.437 2.066 0 1 FEAF O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2 82204554 SHQWEGZBUFSXCM-UHFFFAOYSA-N 366.396 2.235 0 1 FEAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5ccn(C)n5)c4[nH]3)ccc21 143605639 RNNQQKXGDJOLKF-UHFFFAOYSA-N 359.393 2.460 0 1 FEAF CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccc(F)cc1 95894474 MYBXLMBDLOWIKT-QRVBRYPASA-N 354.381 2.161 0 1 FEAF Cc1ccc(NCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1 473130106 JSAYSLWCCIFDJN-UHFFFAOYSA-N 350.422 2.452 0 1 FEAF CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(=O)N(C)CCc1ccccc1 299852425 RXGHSJVJCLBOBF-HXUWFJFHSA-N 351.406 2.254 0 1 FEAF CN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](CCO)C1 587580271 BQKWQOVKBJFVQS-XQAUZQBESA-N 369.417 2.427 0 1 FEAF CC(=O)Nc1ccc(Cl)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 587049974 LDWMWHSLBGBVDY-UHFFFAOYSA-N 364.814 2.489 0 1 FEAF C[C@@]1(CCc2ccsc2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963220212 MQKKZSDWUNWXSW-YZVOILCLSA-N 370.478 2.077 0 1 FEAF O=C(OCc1cccnc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 13864312 GZRBSUJJSIHKKU-UHFFFAOYSA-N 366.421 2.147 0 1 FEAF CC(C)[C@H]1/C=C\[C@@](C)(O)CC[C@@H](O)[C@@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 169367016 ZXUDZQNLOBXDTI-HDBKNVSISA-N 352.471 2.494 0 1 FEAF COc1ccc(N=c2[nH]c(N3CCN(C)CC3)ncc2F)cc1Cl 1857555786 WSYCKEDMFWDJSW-UHFFFAOYSA-N 351.813 2.195 0 1 FEAF C=C(C)[C@H]1CC=C2C(=O)O[C@H](CC(C)=CC(=O)[C@H](OC)CC(=O)C1)[C@H]2O 254134214 WIWLIEUEOQQPHP-CJODITQLSA-N 362.422 2.065 0 1 FEAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)c1 4049505 YXDSGGPZFCWXLO-PKOBYXMFSA-N 354.406 2.286 0 1 FEAF O=C(O)c1ccccc1OC(=O)[C@H]1CCCN1C(=O)COc1ccccc1 29323504 YJMNKXMHBPDOET-MRXNPFEDSA-N 369.373 2.360 0 1 FEAF COc1cc(C[C@@H]2COC(=O)[C@H]2C(=O)c2ccc(O)c(OC)c2)ccc1O 2356438503 IHQUAAXBXPJDEX-FZKQIMNGSA-N 372.373 2.330 0 1 FEAF CC(C)NC(=O)NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc21 2356814654 CKBQOFGKIQWNJA-CEXWTWQISA-N 356.514 2.467 0 1 FEAF O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1 72119643 QVFGNQQNMCPCBY-MRXNPFEDSA-N 359.451 2.268 0 1 FEAF COC[C@H](Cc1ccccc1)Nc1nc(N2CCN(C)CC2)ncc1C 82202792 PKWMDBILKDSVQA-SFHVURJKSA-N 355.486 2.206 0 1 FEAF CCN1C[C@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)ncc32)C1=O 40848657 NOTKQRIPSRTPNZ-NSHDSACASA-N 370.384 2.128 0 1 FEAF CCn1nccc1-c1cnn2c(=O)cc(-c3ccc4c(cnn4C)c3)[nH]c12 142979456 TYCYUVMLSRTZRK-UHFFFAOYSA-N 359.393 2.460 0 1 FEAF COC1CCC2(CC1)Cc1ccc(C#N)cc1[C@]21N=C(N)N(C(C)C)C1=O 140702693 HXYCKOWFLDTBJS-VYHPPPRESA-N 366.465 2.450 0 1 FEAF N[C@@H]1N=CNc2c(CN3C[C@@H](O)[C@H](CSc4ccccc4)C3)c[nH]c21 253837823 XVSWVJFTPOVCJR-JCKWVBRZSA-N 357.483 2.011 0 1 FEAF OCCN1CCN(c2nc3ccccc3c(=Nc3ccccc3F)[nH]2)CC1 473086012 ZXDTVKUJALXHQJ-UHFFFAOYSA-N 367.428 2.049 0 1 FEAF COC(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2n1 586967231 RHCKRSXESURXAY-UHFFFAOYSA-N 368.378 2.482 0 1 FEAF Cc1cc2c(cc1O)[C@](c1nc[nH]n1)(C1CCCCC1)N[C@H](C(=O)O)C2 963487075 BJRYCPLDQAMUFR-KXBFYZLASA-N 356.426 2.242 0 1 FEAF O=C1N[C@@H]2[C@@H](NCc3ccccc3)CCC[C@H]2N(Cc2ccccc2)C1=O 169325644 ZFMQPGSMTTURBW-XUVXKRRUSA-N 363.461 2.225 0 1 FEAF CN(C)CC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 168483920 ZXAJIVIHZVIUIP-UHFFFAOYSA-N 373.888 2.444 0 1 FEAF CSc1cccc(NC(=O)Nc2cc(S(N)(=O)=O)ccc2O)c1 1857654244 ATZDENJYNKEIBX-UHFFFAOYSA-N 353.425 2.406 0 1 FEAF COc1ccc2c(c1)[C@@]1(N=c3ccccc3=C3Nc4ccccc4N31)C(=O)N2 104028227 RCUMZEPWJWEHLR-QFIPXVFZSA-N 368.396 2.131 0 3 FEAF CC=C1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]4([C@@H]2C(=O)OC)[C@H]2[C@@H](OC)ON3[C@@H]12 2356803372 XAPXZORJNSUNGB-AIYWLZSDSA-N 366.417 2.366 0 1 FEAF CC(C)NC(=O)NC[C@@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc2C1 2356844246 NSSMDFKEHFZVHA-GIVPXCGWSA-N 370.541 2.463 0 1 FEAF CC(C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 27303993 QKUFXJXFDOPKCE-AWEZNQCLSA-N 354.834 2.466 0 1 FEAF O=C(NCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1cnccn1 34817382 QNZCASXZYVMUMH-UHFFFAOYSA-N 365.359 2.005 0 1 FEAF C[C@H](CC(=O)NC1=C(C(=O)O)CCCC1)c1nc(-c2ccc(O)cn2)no1 34853408 KSENNMCETJAXHC-SNVBAGLBSA-N 372.381 2.360 0 1 FEAF CC[C@@]12CCCN3CC[C@]4(c5cccc(O)c5N(C(C)=O)[C@@H]4[C@@H](O)C1)[C@H]32 33903741 RQFIKBUKOZJEMU-OUJGAGHGSA-N 356.466 2.394 0 1 FEAF COC(=O)/C=C(\C)C(=O)N(C)c1ccccc1I 31897021 CJFVBTXRFGQXTK-CMDGGOBGSA-N 359.163 2.373 0 1 FEAF O=C([C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12)N1CCSC1 34817224 VRSHLGQKEPJQOU-QMTHXVAHSA-N 353.241 2.192 0 1 FEAF O=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCC(O)CC1 84586976 RHAYYEPUCOAIQU-UHFFFAOYSA-N 369.446 2.424 0 1 FEAF CC(C)c1cccc2c1NC(=O)[C@@]21N(C)CC[C@]12CN(N=O)CCC2=O 49072748 IDDVCBDDELSDJR-MOPGFXCFSA-N 356.426 2.236 0 1 FEAF CN1C(=O)COc2ccc(C(=O)N[C@H](c3cccs3)C3CC(O)C3)cc21 230586238 NJQZPTNEWWHQRV-KJBLDROHSA-N 372.446 2.345 0 1 FEAF C[C@@H]1C[C@H](O)[C@]2(C)[C@H](C[C@@H](O)C[C@]23CO3)[C@@]1(C)CCC1=CC(=O)OC1 238768520 NWWRMGWINPNNEM-LEAHJZPFSA-N 350.455 2.203 0 1 FEAF CCOC(=O)c1cn(CC)c2ccc(-n3cc(C(C)(C)O)nn3)cc2c1=O 653804966 DUTXCTBTCIUXMP-UHFFFAOYSA-N 370.409 2.006 0 1 FEAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cnccc2[nH]1 586946229 OVSMPVDEOGAURT-CYBMUJFWSA-N 372.450 2.391 0 1 FEAF CC(C)(C)OC(=O)N1[C@@H](c2ccc3c(O)nc(O)nc3n2)COC1(C)C 587557583 LAYZKXSQIZRQDT-LLVKDONJSA-N 362.386 2.481 0 1 FEAF C[C@@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)n1cc(Cl)cn1 587082524 RJNUPUBYDXYWCF-VIFPVBQESA-N 353.835 2.272 0 1 FEAF NC(=O)c1cnn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 587528046 WIMDZADVFQBVHK-QGZVFWFLSA-N 362.389 2.414 0 1 FEAF O[C@@H](COc1ccccc1[C@H](O)CCc1ccccc1)CN1CCOCC1 13529074 BGSJEIFMGVDHLM-TZIWHRDSSA-N 371.477 2.425 0 1 FEAF COCCNc1nc(C)cc(-c2cc(C(=O)NCc3ccccc3)on2)n1 13660293 UUVLLYFMNIMRSH-UHFFFAOYSA-N 367.409 2.428 0 3 FEAF CC[C@H](C)[C@@H](C(=O)O)N(C(=O)[C@H](N)CC(C)C)[C@@H](C(=O)O)[C@@H](C)CC 1857632615 DXICGRKNEYCBLC-SBJFKYEJSA-N 358.479 2.187 0 1 FEAF O=C1C=CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 13560177 SOVSIIXOGWZFQB-UHFFFAOYSA-N 354.237 2.040 0 1 FEAF Cc1cc(CN2CCC(n3cc(CO)nn3)CC2)c(C)n1-c1cccnc1 19782065 LQOUFQHGDHKBLI-UHFFFAOYSA-N 366.469 2.410 0 1 FEAF COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(I)cc1 36271642 MXCAKGCIGZRYGJ-CHWSQXEVSA-N 359.207 2.500 0 1 FEAF Cn1cc(NC(=O)c2ccccc2)cc1C(=O)NCCN1CCCCC1 43017426 XVUDWWDCVNYMOM-UHFFFAOYSA-N 354.454 2.493 0 1 FEAF CCCCc1cnc(SCC(=O)c2ccc(S(N)(=O)=O)cc2)nc1 84632731 CLDNCMHZQXFDJO-UHFFFAOYSA-N 365.480 2.442 0 1 FEAF in-vitro CCn1cc(C(=O)N[C@@H](C)C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21 103185504 ALPLYECZYAHXES-QMMMGPOBSA-N 356.300 2.243 0 1 FEAF C/C(=C\COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O)CO 206238162 MSWOYPGTQZJKQY-CHUTXNTCSA-N 372.373 2.093 0 1 FEAF COc1ccc(Cn2cc(Cc3cc(O)c(OC)c(O)c3)n(C)c2=N)cc1 238747821 TWTABUNQCLSHNP-UHFFFAOYSA-N 369.421 2.374 0 1 FEAF CC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H](O5)C1=O 253638144 OKPZZQOOGVTTIF-TVYSTNIMSA-N 367.445 2.226 0 1 FEAF C=Cc1c(C)nn(CCCN2CCN(c3ccc(F)cc3)CC2)c(=O)c1N 473117942 JBMSXLUPRGJFDC-UHFFFAOYSA-N 371.460 2.128 0 1 FEAF NC(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nn1 587661943 UODSUOWIJPCBAT-UHFFFAOYSA-N 361.336 2.081 0 1 FEAF O=C(O)c1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O 587942438 YLDRQXUZSCJCEU-UHFFFAOYSA-N 350.128 2.292 0 1 FEAF COCCO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H]1O5 1772651926 CCFZKAPEUYIPRY-RWQYCXNXSA-N 357.450 2.172 0 1 FEAF COc1cccc(-c2nc(=N[C@H](C)C3CC3)[nH]c(=N[C@H](C)C3CC3)[nH]2)n1 1857653208 WYXMPHFGDDGKSR-VXGBXAGGSA-N 354.458 2.207 0 1 FEAF C[C@@H]1C[C@@]23C[C@@](C)(CCC[C@H]2[C@@]1(CO)CCC(=CCO)CO)OC3=O 2356532716 UWTGBDCCWCEIBB-YYEFJNLCSA-N 352.471 2.188 0 1 FEAF CC(=O)OCC1=C[C@H](O)C[C@]2(C)[C@@H]1CC[C@H]1C[C@H]3C[C@@]12CC[C@@]3(O)CO 2356739054 YCJCQOJMBQQSIB-HFYYJUFZSA-N 364.482 2.187 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N[C@@H]1CCCc2ccccc21 6576710 LUYDYUNUZBCJEW-UPSZCFJUSA-N 364.445 2.377 0 1 FEAF c1cc2[nH]nc(-c3cnn([C@@H]4CCOC4)c3)c2c(OC2CCOCC2)n1 114749655 SOJQRAOMVSSHID-CYBMUJFWSA-N 355.398 2.341 0 1 FEAF CCCCS(=O)(=O)[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 29307761 QCKBTVUNONEOBA-MLGOLLRUSA-N 373.425 2.048 0 1 FEAF CN(C)CCN(C)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccccc1 2356850293 PPDDXWRFNPNLKE-BJLQDIEVSA-N 373.545 2.012 0 1 FEAF CCO[C@@]12C[C@@H]3[C@@H]4CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CCN42)[C@H]6[C@H]53 2356858937 SQERIZJQGWEYQJ-GHMDAPNISA-N 366.461 2.289 0 1 FEAF COc1ccc(CCC(=N)c2c(O)cc(OCC(=O)O)cc2O)cc1O 27427003 HGHDVEOYDJLTKB-UHFFFAOYSA-N 361.350 2.276 0 1 FEAF Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1 211010522 SFYXMVJWOAJPOJ-UHFFFAOYSA-N 374.452 2.016 0 1 FEAF CC[C@]1(C)C=C2[C@@H](O)[C@@]3(O)OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)[C@@]2(O)CC1 73220211 BXTMLOVKWVXQNW-RHOFUAETSA-N 350.455 2.287 0 1 FEAF COc1cc2nc(NCCCCCO)nc(NC[C@H](C)O)c2cc1OC 82129059 JFJSWCWKZMOWHI-LBPRGKRZSA-N 364.446 2.014 0 1 FEAF CCCCc1ccc(NC(=O)Cn2ccc3c2c(=O)n(C)c(=O)n3C)cc1 82157447 JVXGITYCCXGECN-UHFFFAOYSA-N 368.437 2.020 0 1 FEAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(Cl)nc2[nH]1 587226869 FIBMEXZHVXWGNY-UHFFFAOYSA-N 373.800 2.154 0 1 FEAF COc1ccc(S(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCCO4)cc1 586920885 UBMRNHSPWCNXKA-UHFFFAOYSA-N 360.391 2.317 0 1 FEAF Cc1cc(-n2c3c(c4c2OC(=O)C4)CC(=O)O3)nn1Cc1ccccc1F 587945653 LYLDKPWPPSOKHW-UHFFFAOYSA-N 367.336 2.093 0 1 FEAF Cn1cc([C@@]2(C(=O)O)c3cccc(F)c3CCN2[C@H]2CCSC2)cn1 962721761 WNKYDRPSBORLKV-UGSOOPFHSA-N 361.442 2.251 0 1 FEAF O=[S@](CCNC[C@H](O)COc1ccccc1)c1ccc(Cl)cc1 169345718 HTMNZNNFZCIVGO-NPMXOYFQSA-N 353.871 2.477 0 1 FEAF Cc1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O 206152709 LDOGXIAANRXUJF-UHFFFAOYSA-N 355.394 2.307 0 1 FEAF CCc1ccc2[nH]c3nc(SCC(=O)NC[C@H]4CCCO4)nnc3c2c1 5444969 FYBGDDOAHCPCEL-GFCCVEGCSA-N 371.466 2.456 0 3 FEAF O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN1CCCC(F)(F)F 15070152 PHINRNHBVSGIJA-AWEZNQCLSA-N 368.363 2.408 0 1 FEAF N#CN1CC[C@@H](N2CCN(c3cccc(-c4ccccc4)c3)S2(=O)=O)C1 1857562387 VQSFZGFBWTZLKS-LJQANCHMSA-N 368.462 2.276 0 1 FEAF O=C(Cc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12)OCc1ccccc1 13492638 YCVIYCFEQMAJIK-UHFFFAOYSA-N 368.780 2.455 0 1 FEAF CNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc21 40423282 VOLIWBOPCDCNTG-SFHVURJKSA-N 350.418 2.030 0 1 FEAF C/C=C1/CO[C@](C(=O)NCCOCCO)(C(F)(F)F)C=C1C=C(C)C 66139798 ZCOOSFDMIYIJNN-RWFSNQMCSA-N 363.376 2.282 0 1 FEAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccn1 95568214 VLZSOFFJGXHIAQ-AQNXPRMDSA-N 366.465 2.349 0 1 FEAF CCC(=O)N1[C@@H]2CN(C(=O)CC(F)(F)F)c3ccccc3[C@@H]2[C@@H]1CO 95893959 CCQAYRHFWZJQSP-WWGRRREGSA-N 356.344 2.051 0 1 FEAF COC(=O)c1ccc2c(c1)[n+](=O)c(C(=O)Nc1ccccc1)c(C)n2O 96911071 MXHYQVNGUGAZEX-UHFFFAOYSA-O 354.342 2.140 0 1 FEAF O=C(c1cc2ccccc2[nH]1)N1CC(=O)N(CCc2cccs2)C(=O)C1 98085672 AIWSKTANSQIYQF-UHFFFAOYSA-N 367.430 2.283 0 1 FEAF O=C(O)c1cc(-c2ccc(Cl)c(OCCN3CCOCC3)c2)ncn1 145267003 NVYKQTWKISDDHB-UHFFFAOYSA-N 363.801 2.206 0 1 FEAF O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)Nc1cccc2ncccc12 195408885 BOLBRZWHNIBFRJ-ABCQSZEBSA-N 373.412 2.226 0 1 FEAF CC(C)(C)c1nccc(-c2cnc(NC(=O)N3CCC[C@H]3C(N)=O)s2)n1 230815828 ILIMKGDDUBUFBN-NSHDSACASA-N 374.470 2.379 0 1 FEAF NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)nc1-c1cc2ccccc2[nH]1 299867430 YACNMLLIRLXUQZ-GXTWGEPZSA-N 350.426 2.406 0 1 FEAF COc1cc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2cn1 587202154 GDLONDOYVLZQGB-CYBMUJFWSA-N 370.365 2.409 0 1 FEAF CNS(=O)(=O)c1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587408793 ISKXNGWDABXBHV-GOSISDBHSA-N 360.435 2.366 0 1 FEAF COc1ccc([C@@H]2CCN[C@H]3[C@H]2C(=O)NC(=O)N3Cc2ccco2)cc1 618011899 ORRKKGFYMWJWSW-YESZJQIVSA-N 355.394 2.059 0 1 FEAF CON(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1O 1772650778 FJYWORCTMVPBET-HNNXBMFYSA-N 362.813 2.407 0 1 FEAF CCc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1 1857552400 RSLSAMJEIYELSK-UHFFFAOYSA-N 356.426 2.294 0 1 FEAF CC(C)CNC(=O)[C@H]1C[C@H]2CN(C(=O)NCC3CCCCC3)C[C@@H]1O2 1857583195 VHDWZVVHRBJEGH-ULQDDVLXSA-N 351.491 2.138 0 1 FEAF COc1cc([C@@H]2Oc3ccc(C=CC(=O)O)cc3O[C@@H]2CO)ccc1O 2356489166 MDAPOPYYLXOSPU-MJGOQNOKSA-N 358.346 2.372 0 1 FEAF CC(C)[C@@H]1[C@@H](OC(=O)[C@H](C)[C@H](C)O)C[C@@H](C)C(=O)CC=C2C[C@H]1OC2=O 2356550579 XUKCXWUWJUJRFG-IOYVBNSTSA-N 366.454 2.428 0 1 FEAF CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](CCSC)n1cccc1 2356738309 FECBSQSLDSSNQV-QZTJIDSGSA-N 371.506 2.482 0 1 FEAF COC[C@@H]1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1 12707779 SONXXGGKDFTUBD-LLVKDONJSA-N 351.790 2.411 0 3 FEAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@@H]3CCC[C@@H]4[C@H](O)C(C(=O)O)=C(C1)[C@@]342 2356370239 NZESTHCXDKJCAK-JBEOEGFRSA-N 371.481 2.318 0 1 FEAF NS(=O)(=O)c1ccc2nc(NC(=O)c3c(F)cccc3F)sc2c1 2485173 OWXDYPVOUVWYCL-UHFFFAOYSA-N 369.374 2.474 0 1 FEAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@]1(O)CC[C@]2(O)C(=O)CO 2356315325 NTTRGAIOMZIGLW-DUJXRYHNSA-N 364.482 2.006 0 1 FEAF Cc1c(O)ccc2c(CN3CCN(C4=CC=C[CH]N4)CC3)cc(=O)oc12 2356319956 WIIAWKJYUYAHEF-UHFFFAOYSA-N 352.414 2.087 0 1 FEAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)N1C/C=C/CCCC(=O)O 29400886 YVTIVJFGJQZENO-UXDBMQRGSA-N 353.459 2.257 0 1 FEAF C[C@@H](CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC(=O)c1ccco1 72122011 RFAMXWFYOHOSIT-AWEZNQCLSA-N 368.437 2.378 0 1 FEAF Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCOCCc2cccc(F)c2)c1 40892852 AQFHFNHZQKRGMW-FXAWDEMLSA-N 372.488 2.091 0 1 FEAF Cc1ccc2nnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2c1 49808451 MNCDZMUQJSWFFC-SFHVURJKSA-N 370.363 2.197 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)nc2O)N1 587776987 ZWEOQBYOKOJAAY-QTTZVWFDSA-N 354.179 2.413 0 1 FEAF O=C1CSC[C@H](c2nc3cccc(I)c3[nH]2)N1 587043234 JKYALOXDMKYGKA-MRVPVSSYSA-N 359.192 2.072 0 1 FEAF CCCCNS(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587563033 OYWJPLIEBLCURZ-UHFFFAOYSA-N 374.422 2.181 0 1 FEAF Cc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1C 586942564 XEWMRQZJFUCCBQ-UHFFFAOYSA-N 373.434 2.429 0 1 FEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)F)cnc2[nH]1 587204870 TZZGCMIJKHZXIE-JTQLQIEISA-N 357.336 2.056 0 1 FEAF CN1C(=O)C[C@H]2CN[C@H](c3cnc(N4CCOCC4)s3)c3cccc1c32 963034985 VZNRLBNEWJZGCX-SGTLLEGYSA-N 370.478 2.122 0 1 FEAF C[C@@](O)(C(=O)N1CCCN(c2cc(Cl)ccn2)CC1)C(F)(F)F 13804102 DADHNNYBOMLQOB-CYBMUJFWSA-N 351.756 2.087 0 1 FEAF Brc1nc2n(c1Br)C[C@]1(CN3CCC1CC3)O2 1857759325 MQBBQJBNXQVSMC-NSHDSACASA-N 363.053 2.265 0 1 FEAF Cc1nn(CC(=O)NC[C@H]2CCCO2)c(=O)c2c1sc1ccccc12 6798986 KRYJQPRLFGIXKW-GFCCVEGCSA-N 357.435 2.215 0 1 FEAF Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cc[nH]n4)ccc3ncc21 118535747 UGHUEKMXYXFWBE-TXEJJXNPSA-N 364.409 2.149 0 1 FEAF COc1cccc(N2C(=O)N[C@H]3CCN(C(=O)C4CCCCC4)[C@H]3C2=O)c1 25410376 VOHMBPBFINJPNF-DLBZAZTESA-N 371.437 2.301 0 1 FEAF biogenic CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@@H]1CCCC1=O 29327811 PWIMALGNBNRQPH-MRXNPFEDSA-N 367.877 2.494 0 1 FEAF CCO[C@@]12C[C@H]3C4=CCO[C@@H]5CC(=O)N6c7ccccc7[C@@]1(CCN42)[C@H]6[C@H]53 2356522858 WHEDIELHNDPRJQ-MGXVYVJKSA-N 364.445 2.414 0 1 FEAF COc1ccc([C@@H]2[C@H](O)CO[C@@H]2[C@@H](O)c2ccc(OC)c(OC)c2)cc1 2356713895 VOBMPBLQBUANQN-XCLNPWKQSA-N 360.406 2.289 0 1 FEAF CCCN1C(=O)[C@H]2[C@@H](CCN2C(=O)C2CC2)N(Cc2cccs2)C1=O 25410118 PSQNQFODHWOWGF-HUUCEWRRSA-N 361.467 2.302 0 1 FEAF biogenic CCn1ncc2ccc(-c3cc(=O)n4ncc(-c5nc(C)no5)c4[nH]3)cc21 143271680 POLLZMMOLYXMQM-UHFFFAOYSA-N 361.365 2.418 0 1 FEAF CC(C)[C@@H]1[C@@H]2C/C(=C\CC(=O)[C@H](C)C[C@@H]1OC(=O)[C@H](C)[C@@H](C)O)C(=O)O2 238789059 XUKCXWUWJUJRFG-UZMWKNROSA-N 366.454 2.428 0 1 FEAF CNC(=O)[C@H]1C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 587235319 NNHIWOUMAWSTIQ-UHNVWZDZSA-N 374.036 2.332 0 1 FEAF CS(=O)(=O)N1CCC[C@@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1 587874859 DNRLUHZBCGWILG-SNVBAGLBSA-N 365.386 2.107 0 1 FEAF COC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@]12NCCc1ccc(O)cc12 963353764 SLWYFTZYBVCMRA-UGKGYDQZSA-N 366.461 2.428 0 1 FEAF Cc1c(O)ccc2c1[C@]1(C[C@H]3NCCc4cccc1c43)N[C@H](C(=O)O)C2 963551509 NXZSYTGEXIWEBY-GCKMJXCFSA-N 350.418 2.134 0 1 FEAF CCOC(=O)[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963232496 OAUIGVDEVSOLJA-BBRMVZONSA-N 368.311 2.154 0 1 FEAF CCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](CO)C2)nc2ccccc21 116133804 IKNCOGQNONQASB-CVEARBPZSA-N 358.486 2.125 0 1 FEAF NCc1ncc(S(=O)(=O)c2cc(C(=O)O)cc(-c3ccccc3)c2)o1 1857576706 RZARXQSOCKZNCP-UHFFFAOYSA-N 358.375 2.331 0 1 FEAF CC(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 6941905 LRLGDDPSXAXIHY-BBWFWOEESA-N 373.563 2.083 0 1 FEAF COc1ccc(CC[C@@H](C)NC[C@@H](O)c2ccc(O)c(C(N)=O)c2)cc1 27743808 VIYGIYCGBJATKS-BFUOFWGJSA-N 358.438 2.144 0 1 FEAF c1csc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NCC5CC5)CO[C@H]34)n2)c1 2356873904 YJZZZDLUMVTNJY-MUIFIZLQSA-N 358.467 2.151 0 1 FEAF Cc1nc2cccc(-c3cc4c(=O)nc[nH]c4[nH]3)c2nc1NC(C)(C)CO 222237946 KXHNUSUTHSYUGC-UHFFFAOYSA-N 364.409 2.353 0 1 FEAF Cn1c(=O)c2c(nc(/C=C/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O 45498070 MINUIDFUFCXYDK-HOZCHFDZSA-N 356.813 2.351 0 1 FEAF in-vivo COc1c(C)c2c(c(OC)c1C/C=C(\C)[C@@H](O)CC(=O)O)C(=O)OC2 84619077 FLHIJSDWAVXPEH-NEXMIYJRSA-N 350.367 2.007 0 1 FEAF O=C(Nc1nncs1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 195403187 NGRGJBMARGRWOI-OXHZDVMGSA-N 366.402 2.102 0 1 FEAF CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)c3ccno3)C2)O1 96018998 PKVLFJSQCQKMBO-BEFAXECRSA-N 363.458 2.477 0 3 FEAF O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCN(c2cccc3c2OCCO3)CC1 13471784 HVYKQLWDJZYOQY-UYAOXDASSA-N 370.424 2.377 0 1 FEAF O=C(O)c1ccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 1857570968 KAGPWKMQNJMHRK-UHFFFAOYSA-N 358.369 2.252 0 1 FEAF CC(=O)Oc1ccc2c3c1O[C@@H]1[C@@H](OC(C)=O)CC[C@H]4[C@H](C2)N(C)CC[C@]314 100579072 NCXVKLDKUADJPV-GBLDMPDPSA-N 371.433 2.213 0 1 FEAF CCn1c(=O)ccc2cnc(Nc3ccc(OCCN(C)C)cc3)nc21 27523117 XTJYPZZTSHTLNI-UHFFFAOYSA-N 353.426 2.495 0 1 FEAF CNC(=O)[C@H](c1ccccc1)N1CCC[C@H]1C(=O)NCc1ccc(F)cc1 2356444874 MSSSPHLNHRQFRF-OALUTQOASA-N 369.440 2.394 0 1 FEAF CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H](O)Cc3c(ccc4c3OCO4)[C@@H]21 2356666291 VINIVXVRXVXNTR-OLMNPRSZSA-N 353.374 2.331 0 1 FEAF COc1cncc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1 73219074 ACKXXKJTODHUOX-UHFFFAOYSA-N 356.411 2.017 0 1 FEAF C/C=C/c1occ(C(=O)c2c(OC)cc(O)cc2C(=O)OC)c(=O)c1OC 39031387 RKPUWEPREOHXHS-AATRIKPKSA-N 374.345 2.413 0 1 FEAF COc1cc([C@@H]2Oc3cc4ccc(=O)oc4cc3O[C@@H]2CO)ccc1O 535384805 YMXPBFBMXWPRNM-MJGOQNOKSA-N 356.330 2.381 0 1 FEAF biogenic,in-vitro CC(C)(Cc1ccccc1)NC[C@@H](O)c1cc(O)cc2c1OCC(=O)N2 45352068 FERXJFSWPAYIGO-QGZVFWFLSA-N 356.422 2.367 0 1 FEAF COc1ccc(OC)c(CN2C(=O)CSC[C@@]2(C)C(=O)NC(C)C)c1 199230960 OVGWXJSPZJJWTH-SFHVURJKSA-N 366.483 2.063 0 3 FEAF CCCN1C(=O)[C@@H]2[C@H](CCN2C(=O)C2CC2)N(Cc2cccs2)C1=O 25410120 PSQNQFODHWOWGF-GJZGRUSLSA-N 361.467 2.302 0 1 FEAF biogenic CC1=C(c2ccc3nc(-c4cnc([C@H](C)O)s4)[nH]c3c2)NNC(=O)C1 587022053 NJRYLMDCAIUXJP-VIFPVBQESA-N 355.423 2.495 0 1 FEAF COc1cc2c3c(c1)O[C@](Cn1cc(C(=O)O)nn1)(C(C)(C)C)[C@@H](C2)C3=O 587437510 JDVFHNWQLPQVHF-BUXKBTBVSA-N 371.393 2.217 0 1 FEAF N=c1[nH]cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)nc-2[nH]1 587018799 AMYDXKVVWZQFDG-UHFFFAOYSA-N 366.410 2.408 0 1 FEAF S=C(Nc1ncnc2c1cnn2CCN1CCCCCC1)NC1CC1 147772284 DEMSVRGWAKYHMI-UHFFFAOYSA-N 359.503 2.151 0 1 FEAF Nc1nc(OCc2ccc(I)s2)c2nc[nH]c2n1 13678645 GHNFXLRNWZSYBY-UHFFFAOYSA-N 373.179 2.180 0 1 FEAF COCCS(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]21 13820217 JHFTYUVKJGPWAC-NEWSRXKRSA-N 364.511 2.046 0 1 FEAF COc1cc(C[C@H]2COC(=O)[C@@H]2[C@@H](O)c2ccc(O)c(OC)c2)ccc1O 14646874 ZZSOKNNVDKKSDE-AGRHKRQWSA-N 374.389 2.180 0 1 FEAF COc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3cccs3)C(=O)C[C@@H]12 206393709 KVZCEAVZYUUKEN-CQSZACIVSA-N 370.430 2.405 0 3 FEAF O=C(NC[C@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773804 PODWQGNUASPEEY-HNNXBMFYSA-N 356.353 2.231 0 1 FEAF O=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)c1cccc(F)c1 4569533 CQZYNVWIXAWHCE-CQSZACIVSA-N 368.455 2.470 0 3 FEAF O=C(NC1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 4919449 PZXMVRHABPPSDH-OAHLLOKOSA-N 365.499 2.321 0 1 FEAF C[C@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C2CC2)CC(C)(C)N1 27517998 CUHXFMKDXWFYGI-NSHDSACASA-N 370.453 2.194 0 1 FEAF C[C@@H]1CC[C@@H](C)N1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28891812 GBQZPHGKWXWKET-INMHGKMJSA-N 362.495 2.352 0 1 FEAF CCN1C[C@@]2(C)CCC[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O 2356773208 TWAXKDVWAOGBCE-AORLAQRASA-N 361.526 2.280 0 1 FEAF COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3N3CCCN23)cc1 138544409 PIIKMQCNAYVOFR-GBESFXJTSA-N 363.417 2.231 0 1 FEAF NS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1 147777217 LYRHWJMATNILKM-OALUTQOASA-N 358.463 2.475 0 1 FEAF CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1cccnc1)C(C)=O 95895497 ARZNPJQCRBRPPO-QHAWAJNXSA-N 353.466 2.279 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccnn1C 587869092 AXULVPVQISWYHN-UHFFFAOYSA-N 351.288 2.395 0 1 FEAF CCCCCOc1cc2nc([C@H](O)[C@@H](O)CO)[nH]c2cc1Br 586894236 YYUCWCIBFPORGN-GXTWGEPZSA-N 373.247 2.281 0 1 FEAF CS(=O)(=O)Nc1ccc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)cc1 586951119 ULFYSLBMBLVEDC-UHFFFAOYSA-N 365.436 2.005 0 1 FEAF N[C@@H](CP(=O)(O)O)c1nc2cc(Br)cc(Cl)c2[nH]1 586923645 XCQJPAXYOKRFJS-LURJTMIESA-N 354.528 2.156 0 1 FEAF Cc1ccccc1-c1nc(C[S@](=O)CC(=O)N2CCOCC2)c(C)o1 5058122 IHMIJXRWVGKZKZ-RUZDIDTESA-N 362.451 2.066 0 1 FEAF CC[C@H](C)N1CC(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O 2111820 HGBSRNPBYMTEGJ-FKIZINRSSA-N 355.438 2.417 0 1 FEAF biogenic O=C1C[C@@H]2[C@H](C[C@H](O)[C@@H]2C=C[C@H](O)COc2cccc(C(F)(F)F)c2)O1 2356380262 XYSPYIAAWRUEML-TXUJKZCJSA-N 372.339 2.314 0 1 FEAF Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)s1 4928439 WAPZZFBFZCRDAB-UBHSHLNASA-N 366.483 2.270 0 1 FEAF Cc1c(N2C[C@@H]3CCN[C@@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520974 IVQFSHLKPMWIHO-BLLLJJGKSA-N 371.412 2.121 0 1 FEAF O=C(Nc1ccc(C2=NCCN2)cc1)c1cc2ccc(C3=NCCN3)cc2[nH]1 6535484 DURFKUDGWFAYFH-UHFFFAOYSA-N 372.432 2.120 0 1 FEAF O=C(O)c1ccc(CN2C[C@H]3OCC(=O)N(c4ccccc4)[C@@H]3C2)cc1 2356286123 STOCTGHJKNBBDL-QZTJIDSGSA-N 352.390 2.001 0 1 FEAF CC(C)C[C@H](N)C(=O)N[C@H](C12CC3CC(CC(C3)C1)C2)P(=O)(O)O 26291837 MWQREKPOGRYXBG-ZBFQPJSCSA-N 358.419 2.196 0 1 FEAF CCOC(=O)CCCn1c(C)c(C)c2c1N=C(SC)N1CC(=O)N=C21 103006378 ULVAAXSEECZDRK-UHFFFAOYSA-N 362.455 2.401 0 1 FEAF CCCCCCC1=NOC[C@]1(C)C(=O)NCCCN1CCN(C)CC1 22462952 YCAGGIRZRVCOND-IBGZPJMESA-N 352.523 2.103 0 1 FEAF CC=C1CO[C@H](O)[C@@]2(C(=O)OC)[C@@H]1CC1=NCCc3c1n2c1ccccc31 2356613702 VERVUAYOVAQZHF-NQERJWCQSA-N 366.417 2.170 0 1 FEAF COc1cccc(CN2CCN3C(=O)N(Cc4ccccn4)C[C@@H]3C2)c1 2356677398 BKCZMJOIFYNGDA-SFHVURJKSA-N 352.438 2.212 0 1 FEAF O=C(NCC1(COc2ccccc2)C[C@H](O)[C@@H](O)C1)c1ccc(F)cc1 2356712330 ZCTATNODONIRGZ-ROUUACIJSA-N 359.397 2.137 0 1 FEAF COCC[C@@H]1[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 72190040 VNPGFSWKZRZJCI-WVXNDRGBSA-N 354.450 2.492 0 1 FEAF in-vivo O=C1OC[C@@H]([C@H](O)c2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 40980946 NHMODCAASJDQKF-IQUTYRLHSA-N 370.357 2.209 0 1 FEAF O=C1c2ccccc2CCCN1CCCN1CCN(c2ncccn2)CC1 40411560 LCBAQBQSRJBWCB-UHFFFAOYSA-N 365.481 2.077 0 1 FEAF Cc1ccc2c(c1)c([C@@H]1NS(=O)(=O)c3ccccc31)cn2CC(=O)O 49036791 QGPLSQCYVOVCMJ-GOSISDBHSA-N 356.403 2.416 0 1 FEAF CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 95903330 DGIMEPVAUFODOA-SOLBZPMBSA-N 364.490 2.007 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1cnc(S(C)(=O)=O)c(C)c1)[C@@H](C2)C3=O 587448890 MPCLLNHCKUWESR-SUMWQHHRSA-N 359.403 2.291 0 1 FEAF COC(=O)[C@]1(c2c[nH]c3ncccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442866 ZGNIBFORXLUSCY-XCLFUZPHSA-N 364.357 2.387 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C=C(C)N(C[C@@H]4CCCO4)C(=O)C1)[C@@H](C2)C3=O 587434841 CIVFCVWMPYVYSY-HTZUNMPGSA-N 369.417 2.497 0 1 FEAF O=C(CCc1nc2cnccc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024036 LBSAYQCYGVQWEG-UHFFFAOYSA-N 351.395 2.443 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(C(=O)O)N1 587829136 QTTDSQHPATVFNX-NXSYQRQQSA-N 360.179 2.267 0 1 FEAF CN=c1nc(N2CC[C@H](NC(=O)Nc3ccc(C)c(Cl)c3)C2)cc[nH]1 1857586287 JZQQXYWMBCHJDE-ZDUSSCGKSA-N 360.849 2.302 0 1 FEAF Cn1nc(C(=O)N2CCCC2)c2ccc(N=c3[nH][nH]c4cccnc34)cc21 1857651269 LOYPQZVPOZXXGP-UHFFFAOYSA-N 361.409 2.246 0 1 FEAF O=C(Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1)c1ccccc1 3583377 VRUFAVXVBJJZDM-UHFFFAOYSA-N 357.347 2.155 0 1 FEAF OCCN1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 101344071 PCDQEOQFNHGVCX-IYBDPMFKSA-N 353.374 2.333 0 1 FEAF CC(C)n1cc(-c2n[nH]c3ccnc(OCCN4CCOC4=O)c23)cn1 114773120 FAHGGBFEZLSVKM-UHFFFAOYSA-N 356.386 2.233 0 1 FEAF CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](CCO)(CC[C@H]12)[C@H]43 2356546292 GUUBDRGMQKDEAV-MJUUVYJYSA-N 356.466 2.396 0 1 FEAF CC(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 2356606212 HLJKCLMZEHNAQC-WTGUMLROSA-N 355.482 2.290 0 1 FEAF O=C(NC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@H]1O)C1CC1 2356747393 PIQYSXXCIWLFLF-SCTDSRPQSA-N 374.412 2.458 0 1 FEAF O=C(N[C@H]1CN(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc(O)cc1 2356868079 WXZXQQWKJQLAGQ-OALUTQOASA-N 358.413 2.287 0 1 FEAF COC(=O)[C@]1(C(F)(F)F)[C@@H]2C=C[C@@H](C2)N1S(=O)(=O)c1ccccc1 4594480 YIXUIFBSFAJCOS-SUNKGSAMSA-N 361.341 2.110 0 1 FEAF CCn1c(-c2nonc2N)nc2c(-c3ccoc3)ncc(OCCCN)c21 40378997 SXRCGQAHDJRHJC-UHFFFAOYSA-N 369.385 2.071 0 1 FEAF CCc1nc(C(=O)N[C@@H](C(=O)OCCCCN(C)C)C(C)C)cs1 82070358 NCJCMOGEFFCTTI-OAHLLOKOSA-N 355.504 2.345 0 1 FEAF NC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c2cncnc12 144938172 BNTZJUUSPSAPKL-UHFFFAOYSA-N 351.385 2.194 0 1 FEAF O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3ccnc(C4CC4)c3CCN12 149266059 IWTWFERWDUPNML-UHFFFAOYSA-N 360.421 2.114 0 1 FEAF COc1cc([C@H]2Oc3cc(/C=C\CO)ccc3O[C@@H]2C(=O)O)ccc1O 523042120 IWZNJWBNFYXWGT-MWLHMOBLSA-N 358.346 2.372 0 1 FEAF biogenic CCCOc1cc2nc(C[C@@H](O)CC(=O)O)[nH]c2cc1Br 586889193 JVPIUWIQEVOUJD-MRVPVSSYSA-N 357.204 2.492 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1cccc(C)n1)O2 587408029 KMNLJRIZEFVZEC-SFHVURJKSA-N 360.435 2.186 0 1 FEAF O=S(=O)(O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587025758 QEMPYLJSHRUXMF-UHFFFAOYSA-N 360.467 2.242 0 1 FEAF C[C@H]1CN(C[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)C[C@@H](C)O1 587654675 MZRXKEZPBQXWQZ-UPJWGTAASA-N 363.845 2.435 0 1 FEAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](c2ccncc2)(c2ncc[nH]2)N1 963228095 MYGHRMAAYHNTPE-WIYYLYMNSA-N 371.400 2.244 0 1 FEAF CC(C)C[C@@H](CO)N1CCN(C(=O)c2cccc(Cl)c2)CCC1=O 13111157 JIZVJNRNVBKYID-INIZCTEOSA-N 352.862 2.422 0 3 FEAF CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1/C=C/c1ccccc1 169306958 WILIVLNMUBRNBN-WUTMKMQBSA-N 374.433 2.398 0 1 FEAF N#CN1CC[C@@H](NS(=O)(=O)N2CCc3c(-c4ccccc4)cccc32)C1 1857607241 CVFYNYIRDREIMV-MRXNPFEDSA-N 368.462 2.106 0 1 FEAF O=C(NC1CCCC1)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2 20724160 SPYLNXMOZSKOQY-GOSISDBHSA-N 361.467 2.062 0 1 FEAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4ccccc4s3)C[C@H]12 29219948 NFJARMFECSLEKV-JWKOBGCHSA-N 362.432 2.296 0 1 FEAF O[C@H]1C[C@](CNCc2ccc(Cl)cc2)(COc2cccnc2)C[C@H]1O 107430317 OKWCSJBXDWYHKC-REPLKXPHSA-N 362.857 2.406 0 1 FEAF COc1ccc(-c2cnc(N)c(N3CCC(C(=O)O)CC3)n2)cc1OC 64454130 NZBMFJQUUWNHFH-UHFFFAOYSA-N 358.398 2.044 0 1 FEAF CCc1nc(C(=O)Nc2cccc([C@]3(C(F)F)COCC(N)=N3)c2)co1 113659858 GFKFSIFXBJUBPL-KRWDZBQOSA-N 364.352 2.337 0 1 FEAF COc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](N)C[C@H]2C(=O)N3)cc1 12604770 CYRYKSDGUIQKAG-KSSFIOAISA-N 351.406 2.246 0 1 FEAF biogenic COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2O)ccc1O 14646648 FAGBSURUGYTNKL-UONOGXRCSA-N 374.389 2.395 0 1 FEAF biogenic C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)c1ccccc1 618014005 IGXCFMLPOHWBNU-QMYADUOMSA-N 352.438 2.072 0 1 FEAF CC(C)(C)OC(=O)N1C[C@H]2Cc3cc4c(O)nc(O)nc4nc3C[C@@H]2C1 587557976 NTQYEMKNJCDOSK-GHMZBOCLSA-N 358.398 2.018 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)C=C2C(N)=O)N1 587775126 QUWGWLONKFGVPJ-JDNHERCYSA-N 366.234 2.146 0 1 FEAF Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nc(C5CC5)oc4C3)ncnn12 169711811 CLIUTCNDBPIRQJ-CYBMUJFWSA-N 366.425 2.365 0 1 FEAF CCCNC(=O)c1nnc2n1CCN(C(=O)c1ccc3sccc3c1)C2 206049122 LZENSTMAFAHMFJ-UHFFFAOYSA-N 369.450 2.289 0 3 FEAF Cc1c(N2C[C@H](C)[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520952 CNHUNPQEMUPFEV-BJOHPYRUSA-N 359.401 2.106 0 1 FEAF COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@@]43O 2356414453 KNYQYTPZSISGOC-KDJJVYBXSA-N 354.450 2.250 0 1 FEAF COc1ccc2c(c1O)C[C@H](C(=O)O)N(C(=O)N(C)c1ccccc1)C2 27717228 SOTHQGUZFWOLKO-OAHLLOKOSA-N 356.378 2.469 0 1 FEAF CCOCCOCC(=O)N1CCS[C@H]1COc1ccccc1OC 27559884 HISDPQUWKOTQND-KRWDZBQOSA-N 355.456 2.029 0 1 FEAF COCCN1CC[C@@H]2CN(C(=O)NC3CCCCC3)CC[C@H]2CC1=O 2356458220 HUXARUHYHXYGNS-JKSUJKDBSA-N 351.491 2.236 0 1 FEAF CCC(C)(C)c1nnc(C(=O)[C@@H]2C[C@H](F)CN2C(=O)CNC(C)(C)C)o1 28823401 NGSJNRVSCQGXDF-RYUDHWBXSA-N 368.453 2.267 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@@]12O 2356645646 YJYOZSCSGANKMP-GLUMAWDHSA-N 364.438 2.387 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C1COC(=O)[C@@H]1[C@@H]1C=CCC[C@@]12O 2356702487 FXVBMGQWXZLTBS-SJXYXLJBSA-N 356.374 2.454 0 1 FEAF CCOc1ccc(-n2nc3c(N4CC[C@H](N)C4)nnc(C)c3c2C)cc1 72112719 OCXSSYNPSCOWLL-AWEZNQCLSA-N 352.442 2.368 0 1 FEAF c1coc(-c2nc3c(c(N4CCCN5CCC[C@H]5C4)n2)CCNCC3)c1 72475517 QLMPMNRPDQNUPY-HNNXBMFYSA-N 353.470 2.099 0 1 FEAF COC(=O)[C@@H]1[C@H]2CC3=[N+](CCc4c3[nH]c3ccccc43)C[C@@H]2CC[C@H]1O 86006835 ABXHGHKISIEEEJ-LAKGBWAGSA-O 353.442 2.106 0 1 FEAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCCN)C3)co2)cc1 82069464 ZNQHKAOFMAMHRE-HNNXBMFYSA-N 357.410 2.004 0 1 FEAF COc1nn(-c2ccccc2)c2cc(N3CC(N4CCNCC4)C3)ccc12 147357828 BRINLJSKWIJEIB-UHFFFAOYSA-N 363.465 2.128 0 1 FEAF O=C(O)CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccs2)c1=O 25408101 JBEKLWRUEIHNBF-OLZOCXBDSA-N 372.446 2.387 0 1 FEAF biogenic C/C(N)=C1\C(=O)OC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587746837 IESPUYMTUNYPIK-XOHLIFLNSA-N 355.207 2.107 0 1 FEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cc(O)nc(O)n1 587870741 QOHQRBTVZUCJLM-UHFFFAOYSA-N 358.329 2.172 0 1 FEAF NC(=O)[C@@H]1Nc2ccccc2C(=O)[C@]12c1c(F)cccc1C[C@H]1CCCN12 963109809 PWFHOJGFDHIVTJ-MPKWNAGQSA-N 365.408 2.204 0 1 FEAF O=C(NCc1cc(F)cc(Cl)c1)[C@@]1(O)CCN(c2ccccc2)C1=O 147217381 GYXUHDDOWYYRFT-SFHVURJKSA-N 362.788 2.263 0 1 FEAF Cc1ncoc1C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 1772619727 YCMKKKLVYNEWHL-UHFFFAOYSA-N 365.393 2.478 0 1 FEAF O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC(O)CC1 11668191 XZYUYZWVYKURCD-UHFFFAOYSA-N 353.378 2.399 0 3 FEAF CN(C[C@@H]1COCCO1)C(=O)c1cc(COc2c(F)cccc2F)on1 12387276 ZYWJSIWHVSCLCS-GFCCVEGCSA-N 368.336 2.019 0 3 FEAF N[C@@H](COCc1ccc(I)cc1)Cc1c[nH]cn1 13796544 YVXLGRUYYZPFBU-GFCCVEGCSA-N 357.195 2.101 0 1 FEAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cn2)nc1 209436430 LSWBDTQQYCKHHN-CABCVRRESA-N 363.421 2.432 0 1 FEAF COc1ccc(CN2C[C@@H]3CN(Cc4cccnc4)CCN3C2=O)cc1 2356300059 KMZYYPXIIZIAPI-SFHVURJKSA-N 352.438 2.212 0 1 FEAF O=S(=O)(c1ccccc1S(=O)(=O)N1CCCCC1)N1CCCCC1 2499695 ZMKSNTFKCGRDQY-UHFFFAOYSA-N 372.512 2.036 0 3 FEAF CC(=O)N1CCOc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc21 6819308 LSKKFJPDDOOMRL-STQMWFEESA-N 352.456 2.384 0 3 FEAF COCCCNC(=O)CN1C(=O)c2cccnc2Sc2ccccc21 8605768 QCEKPZUDLXYLKE-UHFFFAOYSA-N 357.435 2.346 0 1 FEAF CC(C)Cc1ccc([C@H](C)C(=O)OC[C@H](O)[C@H]2OC(=O)C(O)=C2O)cc1 114539158 ZQTNXXZZAJDJNM-PZSREKOKSA-N 364.394 2.146 0 1 FEAF Cc1ccc(S(=O)(=O)NN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 28761539 KKTHGEIMNQTMNC-UHFFFAOYSA-N 374.871 2.162 0 1 FEAF O=C(NCc1ccco1)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 74380144 ORQJRYTXFUIFKZ-UHFFFAOYSA-N 366.377 2.061 0 3 FEAF CC(C)=CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C=C2C(=O)CC[C@H](C)[C@@]21C 14781774 VZTXGPWRBOVDPF-VNPBSUJTSA-N 360.406 2.372 0 1 FEAF biogenic CCn1ncc2cc(-c3cc(=O)n4ncc(-c5nc(C)no5)c4[nH]3)ccc21 143546664 IEMSGPQJINCBEC-UHFFFAOYSA-N 361.365 2.418 0 1 FEAF C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@@H]2CC[C@@H](O)[C@@H]3[C@@]1(C)CC[C@@H]1CCOC1 523041498 GOMXXHNZEQAZQB-OPYQEDPHSA-N 352.471 2.140 0 1 FEAF biogenic COC(=O)[C@](C)(O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587809083 QDXNUSIYKJDWCU-YIUPMNOESA-N 360.223 2.262 0 1 FEAF CN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](CCO)C1 587580270 BQKWQOVKBJFVQS-IQVOZAENSA-N 369.417 2.427 0 1 FEAF CNC(=O)COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587388270 ZLCYQQDZHUCVRT-QGZVFWFLSA-N 370.405 2.417 0 1 FEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccnc(Cl)c2[nH]1 586959967 UKCCGECBQCMWKM-CQSZACIVSA-N 352.803 2.080 0 1 FEAF C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@@H]1CC[C@H](OC(C)=O)[C@@]12COC(C)=O 15115933 QXHYURXSMDXAIX-NMINMDBESA-N 350.411 2.405 0 1 FEAF biogenic O=C1CC[C@H]2[C@H](O)c3cc4c(cc3[C@H](c3ccc5c(c3)OCO5)N12)OCO4 17257213 JOCDYUMUWHCJQD-QTJFZDIUSA-N 367.357 2.271 0 1 FEAF Cc1ccc(C)c(N2CCN(C(=O)[C@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)CC2)c1 6740950 BFEAVXWORYIYAE-XWCCPHMRSA-N 354.450 2.150 0 1 FEAF O=C(NCc1ccccn1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 52566101 PILKTCTWCIFXBV-FDCRZUCXSA-N 373.412 2.323 0 1 FEAF CC(C)[C@@H](C(=O)Nc1ccc(F)cc1)c1nc(N2CCOCC2)cc(=O)[nH]1 115068698 VBIJPOZMDQGGTD-QGZVFWFLSA-N 374.416 2.124 0 1 FEAF O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1ccc2nsnc2c1 113894567 QNIMPEFZOBTPAU-CQSZACIVSA-N 350.363 2.365 0 1 FEAF COc1cc(C[C@@H]2[C@H](Cc3ccc4c(c3)OCO4)CO[C@@H]2O)ccc1O 2356467195 GTIWICQLBSBHFL-SXGZJXTBSA-N 358.390 2.496 0 1 FEAF O=c1c2c(ccc3nc(C4=NCCN4)sc32)ncn1Cc1ccccc1 40566925 KGAUGVWFFBMHKF-UHFFFAOYSA-N 361.430 2.404 0 1 FEAF C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OC[C@H]1CCCN1C 82083928 ZFRHSULATFGQNA-NWDGAFQWSA-N 363.439 2.159 0 1 FEAF CCc1cn(C2=NCC(=O)N3CCc4c(cccc4[C@@H](C)O)C3=C2)cn1 149079566 IDPMBLOTVIUKIN-CYBMUJFWSA-N 350.422 2.185 0 1 FEAF CCOC(=O)CC[C@@]1(CCC(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441661 LRJBMZJAOILFSE-BFUOFWGJSA-N 362.378 2.390 0 1 FEAF Cc1c(I)cnn1[C@@H](C)c1nc2ccnc(N)c2[nH]1 587182286 NVPHEUJXYJTJAU-ZETCQYMHSA-N 368.182 2.259 0 1 FEAF NS(=O)(=O)c1cccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 587177764 YRMOIVITBYEFCX-UHFFFAOYSA-N 361.402 2.012 0 1 FEAF Cn1nccc1-n1cc(C(=O)O[C@H]2C[C@H]3COC[C@@H](C2)N3)c2ccccc21 1772589709 MAMXENZGYWDRLN-QDMKHBRRSA-N 366.421 2.040 0 1 FEAF Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](OC1CCCC1)CC(=O)N2 1772651294 ZYVFCYREQNVWLK-NSHDSACASA-N 353.386 2.190 0 1 FEAF COc1cc(/C=C/c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC 5888639 CUPAUTLMZBTYGL-SNAWJCMRSA-N 353.382 2.385 0 1 FEAF O=C(O)c1cc2c(c(CCn3cnc4c3NC=NC[C@@H]4O)c1)CCCC2 13861926 QYLCLEVVCQXKFN-INIZCTEOSA-N 354.410 2.190 0 1 FEAF CC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169344523 OKPZZQOOGVTTIF-OPRVOFGJSA-N 367.445 2.226 0 1 FEAF OC[C@H](O)[C@H](O)[C@H](O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 263604352 OORRNQJYAWSLHU-BHYGNILZSA-N 357.233 2.200 0 1 FEAF CC(C)(C)C(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3cnccc3[nH]2)C1 2356302757 XTQCGXLERFMVDI-QWHCGFSZSA-N 358.442 2.486 0 1 FEAF N=C(N)c1ccc(NC(=O)NCC(=O)NCc2cccc(Cl)c2)cc1 29237066 WUFPCUQYRKZYRH-UHFFFAOYSA-N 359.817 2.062 0 1 FEAF CCc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1 116776225 STECEBJXYKEXJS-UHFFFAOYSA-N 356.407 2.330 0 1 FEAF Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(=O)O)cc1 71330045 FASBFIGBLIISKD-UHFFFAOYSA-N 357.391 2.193 0 1 FEAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCCN)C3)co2)cc1 82069465 ZNQHKAOFMAMHRE-OAHLLOKOSA-N 357.410 2.004 0 1 FEAF Cn1ncnc1-c1ccnc(N2CCC([C@@H](O)c3cccs3)CC2)n1 82038043 QXZKNRUKDFDFJX-OAHLLOKOSA-N 356.455 2.284 0 1 FEAF N=c1[nH][nH]c(=NCc2c(Cl)cccc2Oc2ccc3c(c2)OCO3)[nH]1 473113286 FLTFLLACKNIDCS-UHFFFAOYSA-N 359.773 2.426 0 1 FEAF Cc1cc2c(-c3cncc(N)c3)cnc(NC3CCNCC3)c2nc1O 473128183 YYIZMKLHVKMWIJ-UHFFFAOYSA-N 350.426 2.452 0 1 FEAF O=C(O)c1nn(Cc2nc3ccccc3[nH]2)cc1I 587184529 APHJLWZHOKVGNQ-UHFFFAOYSA-N 368.134 2.111 0 1 FEAF Cc1ccc(Cn2cc([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)nn2)cc1 962905274 ZLBINWAIYWLGLT-QFBILLFUSA-N 366.396 2.462 0 1 FEAF NCCc1c[nH]c2ccc(C[C@H]3NC(=O)N(Cc4ccccc4)C3=O)cc12 13603461 GPKRXBDFZFQNCC-LJQANCHMSA-N 362.433 2.332 0 1 FEAF C[C@H]1COC(=O)CC=C[C@@H](C)COC(=O)[C@H](Cc2ccccc2)NC1=O 253977817 QOJPJAVHKPIYBD-VYDXJSESSA-N 359.422 2.032 0 1 FEAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)C1CCCCC1)C2 101505647 JWOSDQLOLCQNIM-OSYLJGHBSA-N 351.491 2.424 0 1 FEAF C[C@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1NCCc2c1[nH]c1ccccc21 103021653 OSVWDXIDKQZVIQ-BZNIZROVSA-N 368.437 2.048 0 1 FEAF CC(C)=C[C@@H]1O[C@@]2(C)C[C@H](O)O[C@]13[C@H]2C(=O)[C@@]1(O)[C@@H](C)CC[C@H]1[C@H]3C 2356478409 CVPRVMFLHNNGRF-DQGZVJCBSA-N 350.455 2.200 0 1 FEAF CCn1cc(S(=O)(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)cn1 72150406 KLFYYKYSPQIWGY-MRXNPFEDSA-N 354.520 2.226 0 1 FEAF CC(C)(C)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@@]2(C)CC(O)(O)C3)cc1 49034067 NMFVUIZOWMLQAA-PBHICJAKSA-N 353.484 2.371 0 1 FEAF Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(=O)c2ccccn2)cs1 299843921 ZTDVUOMWUBMOQQ-CVEARBPZSA-N 356.451 2.252 0 1 FEAF CC(=O)n1cc(-c2c(O)nn(C(=O)N3CCOCC3)c2C)c2ccccc21 653836201 BSWGSLMPWVYQPV-UHFFFAOYSA-N 368.393 2.479 0 1 FEAF Sc1nnc(SCc2nc3nc(Br)c[nH]c-3n2)s1 587026271 WKGFKHMISCSNKX-UHFFFAOYSA-N 361.275 2.500 0 1 FEAF CNCC(=O)N(C)Cc1cccc(-c2ccc(N3CCOCC3)cc2)c1 1772582766 IFQOCBIDPUJGSH-UHFFFAOYSA-N 353.466 2.368 0 1 FEAF COc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(F)c1 1772650655 IJVHRUXFLFGTDS-YCRREMRBSA-N 350.371 2.134 0 1 FEAF CCN(CC)CCCN1C(=O)CS[C@H]1c1ccc(S(C)(=O)=O)cc1 1772639382 PBMKFFBQBWZARF-KRWDZBQOSA-N 370.540 2.396 0 1 FEAF CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)Cn2cncn2)C1 12209933 JLCRHMCNANXYEF-INIZCTEOSA-N 368.416 2.433 0 3 FEAF COc1ccccc1[C@@H]1c2cc3c(cc2O[C@]2(OC)COC(=O)[C@@H]12)OCO3 17249914 WRLLJZYUHKBCFJ-QWFCFKBJSA-N 370.357 2.464 0 1 FEAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)c1 4049506 YXDSGGPZFCWXLO-HKUYNNGSSA-N 354.406 2.286 0 1 FEAF O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1CC=C(c2ccccc2)CC1 4434759 BTXJCYPAPYUGFZ-TZRIAGMCSA-N 362.429 2.109 0 1 FEAF Oc1ccc2c3c1O[C@H]1c4[nH]ccc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 26143363 AVZPNFQSUXLGJJ-YPVJZLTNSA-N 364.445 2.419 0 1 FEAF NC(=O)c1cc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1N1CCCCC1 101499649 BDRHHTPONBYHDD-HUUCEWRRSA-N 353.422 2.231 0 3 FEAF Cc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc(=O)[nH]1 23251016 VSHJYPKLEDHLCA-LBPRGKRZSA-N 367.858 2.300 0 1 FEAF COC(=O)C1=CO[C@H](C)[C@@H]2[C@@H]1C[C@H]1c3[nH]c4ccccc4c3CCN1[C@H]2O 2356581566 AUJVVPBGBOEYGD-WSBPUUEKSA-N 368.433 2.497 0 1 FEAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C[C@H]1O[C@H]1CCCC(=O)O 40165445 CBOBGOJUDRNUHE-IMPRMSFXSA-N 368.470 2.462 0 1 FEAF endogenous,in-man CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O 45387214 SSHDELUWPYLWLW-UHFFFAOYSA-N 370.434 2.210 0 1 FEAF C[C@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 87722672 WTJYDBMHYPQFNJ-CISBLTOBSA-N 368.470 2.222 0 1 FEAF C/C(=C/CC[C@@]12O[C@@H](CC/C(C)=C\CO)[C@@](C)(CC[C@@H]1O)OC2=O)CO 238774819 VJRMCVCBCDACOE-RUGOAUBTSA-N 368.470 2.018 0 1 FEAF CCC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O 95895352 CXRQKXDLSRZGRM-DYXWJJEUSA-N 356.466 2.455 0 1 FEAF CSCC(=O)N[C@@H]1CCN2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C1 25184727 UGFWLBJEQRTQAA-YPMHNXCESA-N 367.858 2.119 0 1 FEAF biogenic C=CS(=O)(=O)N1CCCN(C(=O)c2cc(C3CCCCC3)no2)CC1 618020195 HNTAAIWGTJAFOF-UHFFFAOYSA-N 367.471 2.344 0 1 FEAF O=C(O)Cn1c(=O)c(Oc2cc(O)cc(O)c2)nc2cc(Cl)ccc21 473084163 QREZWUKLRMGBHV-UHFFFAOYSA-N 362.725 2.338 0 1 FEAF COc1ccc2c(c1)C[C@H](c1nc3ccc(S(N)(=O)=O)cc3[nH]1)CC2 587947013 QFHKELZDRCMMOQ-GFCCVEGCSA-N 357.435 2.491 0 1 FEAF NS(=O)(=O)c1cccc2nc(-c3ncc(Br)cc3F)[nH]c12 587158473 YTYFGSFNKPOBKZ-UHFFFAOYSA-N 371.191 2.174 0 1 FEAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(S(C)(=O)=O)cc3[nH]1)C2 587247355 PWXSDVGVHONOBM-IBGZPJMESA-N 371.462 2.318 0 1 FEAF CN1C(=O)C[C@@H]2CN[C@H](CN3C(=O)COc4ccccc43)c3cccc1c32 963018985 DEGYCBVRFOWBHH-UKRRQHHQSA-N 363.417 2.207 0 1 FEAF CC(=O)NC[C@H]1C[C@@H](n2cc(-c3cccc(O)c3)c3c(N)ncnc32)C1 1772593915 RYXYGTHROOHSKY-XBXGTLAGSA-N 351.410 2.473 0 1 FEAF CC[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1N 13525434 PGPZFJIIPXTHFY-MEBBXXQBSA-N 374.416 2.132 0 1 FEAF O=C(NC1CCCC1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 169295897 VXVAXTVQJBEBRG-NNFUDEMPSA-N 358.463 2.089 0 3 FEAF CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccc(Cl)cc1 169335750 PHHXJVSPBGCQJS-HNNXBMFYSA-N 353.827 2.406 0 1 FEAF CC[C@@H](C(=O)O)N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1 204783206 FAOKYLWYCBQYDT-INIZCTEOSA-N 364.423 2.144 0 1 FEAF CCc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)cc1 59919770 GLDFECHXTPUOLT-IBGZPJMESA-N 369.465 2.191 0 3 FEAF O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2C[C@@H]2[C@H]1C2(Cl)Cl 105486004 GSRVKLGURKHDPG-QNWHQSFQSA-N 350.205 2.276 0 1 FEAF COC(=O)c1cc([C@H](O)CN2CCN(c3ccccc3C)CC2)ccc1O 27074469 DHZGOKYRTUXLHK-HXUWFJFHSA-N 370.449 2.343 0 1 FEAF C[C@]1(N)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 27986743 XMYPLLOMLOIMLQ-SFHVURJKSA-N 363.364 2.240 0 1 FEAF O=P(O)(O)[C@H](Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)O 40872812 QZTDQEVQGQAOKB-AWEZNQCLSA-N 358.308 2.413 0 1 FEAF in-vitro Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OCCN(C)C)co2)cc1 82073392 HDDTWDCEVGZLOX-KRWDZBQOSA-N 371.437 2.359 0 1 FEAF CCOC(=O)c1cn(CC)c2ccc(/C=C/CN3CCNCC3)cc2c1=O 82156189 LYGBWVQJEDRKLA-AATRIKPKSA-N 369.465 2.117 0 1 FEAF CC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO 95875165 SIXKQJSUWIYCRJ-IXDOHACOSA-N 367.287 2.220 0 1 FEAF COc1cc(C[C@H](C)[C@@H](C)C[C@@]2([C@H](O)C(C)=O)C=CC(=O)O2)ccc1O 238731608 JGRCQBGEMXBGIJ-ISZNXKAUSA-N 362.422 2.407 0 1 FEAF O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 95796869 RAYDGCHDHSNKNZ-AZUAARDMSA-N 368.477 2.155 0 1 FEAF CC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCCN(C)C 25429354 OZPANGUUEYKGPA-WBVHZDCISA-N 363.477 2.382 0 1 FEAF biogenic COc1ccc(-c2ocnc2C)cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1 299826354 GYSDXNPDMYERME-HDJSIYSDSA-N 366.439 2.240 0 1 FEAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)[C@@H](C)O)ncc12 1772597884 FBFVSUQHZVJYJN-RFAUZJTJSA-N 359.361 2.349 0 1 FEAF CN1C[C@@H](c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)CC1=O 1772653179 KFFGKBVDMVCEKY-SFHVURJKSA-N 370.474 2.379 0 1 FEAF CCCn1c(=O)[nH]c2[nH]c(-c3ccc4cc(C(=O)O)ccc4c3)nc2c1=O 13472997 GIIWTMHUFYCNCW-UHFFFAOYSA-N 364.361 2.341 0 1 FEAF O=C1CCCc2c(OC[C@H](O)CNCCc3ccc(O)cc3)cccc21 169330650 WBTUULHPRDNVBU-QGZVFWFLSA-N 355.434 2.483 0 1 FEAF Cc1nc([C@H]2CCOC2)c2c(N3CCc4nn(C5CC5)cc4C3)ncnn12 169711657 VVBFRGXLQGJWRX-ZDUSSCGKSA-N 365.441 2.031 0 1 FEAF O=C1CC(=O)N(C[C@H]2CCCO2)C(=O)N1CCc1cccc(Cl)c1 101678204 KGTWIWDFJMQFRA-CQSZACIVSA-N 350.802 2.242 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@@H](NC2CCC2)C[C@H]1O 2356286801 AEBVDLZPPSAPCK-LWYYNNOASA-N 353.466 2.186 0 1 FEAF O=C(O)C[C@H]1CCc2cc(NC(=O)OCC3CCNCC3)ccc2C1=O 27300610 PJXBRJQEOCEKEL-CQSZACIVSA-N 360.410 2.455 0 1 FEAF COc1cccc(CN2CC[C@@]2(C)C(=O)NCCc2ccccn2)c1OC 61929106 VVRSURMJVNFJLZ-NRFANRHFSA-N 369.465 2.422 0 3 FEAF O[C@H]1[C@H](O)CO[C@@H](n2cc(Cc3ccccc3)c3ccc(Cl)cc32)[C@@H]1O 66112060 IUZCAMDOSPJSKD-IYWMVGAKSA-N 373.836 2.497 0 1 FEAF CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1COCC1=O 26157915 DBPQNGIJEMKBKS-DLBZAZTESA-N 374.481 2.213 0 1 FEAF CS(=O)(=O)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1 34373692 ZGPQUFZDMCAFGN-UHFFFAOYSA-N 366.406 2.333 0 1 FEAF CC1=C2C[C@H](O)C=C3C(=O)OC[C@@]32C=CC2=C1[C@@H](c1ccoc1)OC2=O 14690014 OHRYPZSDRFBQMN-LCIZUOBNSA-N 352.342 2.295 0 1 FEAF biogenic CN(C)CCN(C)C(=O)C[C@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 74374191 JLRMCPHODXNWGV-QGZVFWFLSA-N 352.866 2.090 0 3 FEAF NC(=O)c1ccc(CNC(=O)c2coc(-c3ccc4c(c3)OCO4)n2)cc1 82081777 ZXPYOKFEHCCTBE-UHFFFAOYSA-N 365.345 2.099 0 1 FEAF COc1ccc(-c2cc(NC(=O)CCCCN3CCCNCC3)[nH]n2)cc1 84741278 UTZCOSNAHHZOGH-UHFFFAOYSA-N 371.485 2.489 0 1 FEAF C=CC(=O)NCCCC[C@H](NC(=O)OCc1c(F)cccc1F)C(=O)O 95562388 QFLCACRURLJEMR-AWEZNQCLSA-N 370.352 2.117 0 1 FEAF O=C(NC1CC1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658157 IPPKKCNXXUNZMS-UHFFFAOYSA-N 351.337 2.121 0 1 FEAF CC1=C(c2ccc3nc(-c4cnc([C@@H](C)O)s4)[nH]c3c2)NNC(=O)C1 587022052 NJRYLMDCAIUXJP-SECBINFHSA-N 355.423 2.495 0 1 FEAF Nc1cnc([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963177520 IQKMRTWRCTZELM-ZWNOBZJWSA-N 372.734 2.419 0 1 FEAF O=C1CC[C@H]2[C@@H](O)c3cc4c(cc3[C@H](c3ccc5c(c3)OCO5)N12)OCO4 17257209 JOCDYUMUWHCJQD-MRFFXTKBSA-N 367.357 2.271 0 1 FEAF O=C1C(=O)N(CCCN2C(=O)C(=O)c3cc(F)ccc32)c2ccc(F)cc21 1857770990 OROPXYAQDOHAHO-UHFFFAOYSA-N 370.311 2.114 0 1 FEAF CC(C)(C)C(=O)N[C@@H]1CO[C@@H]2[C@H](Nc3nccc(C4CCCC4)n3)CO[C@H]12 2356333304 PXBSHLIIKXGHDN-QBPKDAKJSA-N 374.485 2.243 0 1 FEAF COc1ccc2nc(CO[C@@H]3CN(C(=O)c4ccncc4)C[C@H]3F)[nH]c2c1 2356302700 QGHCMKLQFKBOBG-RHSMWYFYSA-N 370.384 2.346 0 1 FEAF COc1cc(CCC(=O)Oc2ccc3c(c2)C(=O)N(C)C3=O)ccc1N 53243426 MRYNOPXLASCTIU-UHFFFAOYSA-N 354.362 2.041 0 1 FEAF O=C(CCNCCO)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 28902744 WJXLVZQCVYZJBD-UHFFFAOYSA-N 361.401 2.357 0 1 FEAF COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1[C@@H]2CC3C[C@@H]1CN3C2 101265226 BOZRGVLESXHQJV-QJHHYTSLSA-N 363.845 2.129 0 1 FEAF CC(C)=CC(=O)O[C@@H]1CC(=O)[C@]2(C)[C@H](O)[C@@H]3[C@H](C[C@H](C)[C@@H]12)OC(=O)[C@@H]3C 2356527415 GZJSYCISXGQHLT-MWCXEPLGSA-N 364.438 2.038 0 1 FEAF CCC(=O)N1CCC(NC(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 64528342 YMDWTTKRMUCZQB-UHFFFAOYSA-N 365.430 2.235 0 1 FEAF O=C(O)CCCC=CC[C@@H]1C(=O)C[C@H](O)[C@@H]1C=C[C@@H](O)CCCCCO 2356698023 AZIGEYVZEVXWAD-BMFAXAFESA-N 368.470 2.224 0 1 FEAF C[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 2356820811 FOLOIUYKGZEVJY-CPZHZOHDSA-N 354.462 2.095 0 1 FEAF CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C[C@H]2CCCO2)c1=O 45357791 OGPQHEMBKDJNNB-CQSZACIVSA-N 354.410 2.142 0 1 FEAF O=C1O[C@H](O)C(c2ccc(C(=O)N3CCCCC3)cc2)=C1Br 84687785 GIAWCXNBLDWHMS-HNNXBMFYSA-N 366.211 2.294 0 1 FEAF O[C@](Cn1cncn1)(Cn1nnc2ccc(F)cc21)c1ccc(F)cc1F 49808197 VTMCRSGRBIWXOS-QGZVFWFLSA-N 374.326 2.028 0 1 FEAF O=C(O)CCCCCC[C@@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@H](O)CCCCCO 89456128 LDUBDFDZFOQXGF-PRQNQGQWSA-N 370.486 2.448 0 1 FEAF O=C1NC(=O)[C@@H](Cc2ccc(OCCNc3ccc(O)cn3)cc2)S1 95618714 SVUUNTJZVPNZSL-CQSZACIVSA-N 359.407 2.172 0 1 FEAF world Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cnn(C)c4)ncc23)ccn1 261072147 AGZFSBSYPJLDRX-UHFFFAOYSA-N 362.397 2.384 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@@H](O)C(F)F)ncc23)ccn1 261168726 SNDVZYJDIGDYRH-GFCCVEGCSA-N 362.340 2.076 0 1 FEAF CC1=C(C(=O)O)C(=O)[C@@H]2c3cc4cccc(O)c4c(O)c3C(=O)C[C@]2(O)C1 43207878 HZZQUBYOXIKCPW-OXJNMPFZSA-N 368.341 2.026 0 1 FEAF biogenic CCOC(=O)N1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](OC)C1 587439700 WHWKPHBJMCELTB-FRIZHTMISA-N 361.394 2.059 0 1 FEAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3ccccc3cc2[nH]1 586939642 QKXVFQBFKHOBEC-LLVKDONJSA-N 355.423 2.489 0 1 FEAF N#CN1CC[C@@H](N2c3ccccc3N(Cc3ccccc3)S2(=O)=O)C1 1857595320 LFAFWGXGKIWVPT-MRXNPFEDSA-N 354.435 2.313 0 1 FEAF O=c1[nH]c2ccc(N3CCC[C@H](CO)C3)nc2nc1Cc1ccccc1 766876 QLMDHQUVUGEZBW-HNNXBMFYSA-N 350.422 2.118 0 1 FEAF O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1CCc1ccccc1 101160553 QYGFQRQCKGKURL-UHFFFAOYSA-N 360.373 2.481 0 1 FEAF COc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4CN5CC[C@@]26[C@@H]5C[C@@H]4[C@@H]3[C@H]16 103578945 CAPUGADOGHKUQS-HGQCBAMNSA-N 364.445 2.101 0 1 FEAF biogenic,in-vitro CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(CF)s3)c(F)c2)C(=O)O1 27414583 QMTISFBCVIRTTJ-JTQLQIEISA-N 368.365 2.275 0 1 FEAF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccncc1 27315410 RDWKGXWQQSUMTO-INIZCTEOSA-N 357.435 2.491 0 1 FEAF COC(=O)/C(=C/c1ccc(OC)cc1)Cn1nnnc1-c1cccnc1 45301281 NYSXVDFYAHYGPW-XNTDXEJSSA-N 351.366 2.000 0 1 FEAF O=C(c1ccc(F)c(Cl)c1)N1CCn2c(nnc2-c2cnccn2)C1 95565335 LVPGUNURAIICSX-UHFFFAOYSA-N 358.764 2.184 0 1 FEAF c1cc(-c2n[nH]c3ccnc(O[C@H]4CCOC4)c23)cc(N2CCOCC2)n1 146696033 FWWBSUYOVKSDAU-AWEZNQCLSA-N 367.409 2.024 0 1 FEAF Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C)n1 96272379 YTZJKHFYHKBULK-NSHDSACASA-N 374.470 2.298 0 1 FEAF COC(=O)[C@H](CNCCc1ccc(OC)c(OC)c1)[C@@H](O)c1ccccc1 98082739 JHAWMFYGVUBJJC-XLIONFOSSA-N 373.449 2.359 0 1 FEAF COc1cc([C@H]2Oc3cc(/C=C\CO)ccc3O[C@H]2C(=O)O)ccc1O 523042113 IWZNJWBNFYXWGT-IAFRVXFPSA-N 358.346 2.372 0 1 FEAF biogenic N[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1C1CC1 253647955 UQIZXARYWNEIEE-BBRMVZONSA-N 371.412 2.347 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(OC)c(OC)cc41)[C@@H](C2)C3=O 587440736 QERYICGLJJDILP-YUNKPMOVSA-N 367.357 2.307 0 1 FEAF CNC(=O)COc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587433516 RTODMEZYHAXZGM-QRWLVFNGSA-N 353.374 2.309 0 1 FEAF COC(=O)[C@@H]1OCC(C)(C)[C@@]12NCCc1cc3cccc(OC)c3nc12 963046554 KORSBFWOVRLDRK-PXNSSMCTSA-N 356.422 2.182 0 1 FEAF NS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)c3ncnc-3[nH]2)cc1 1772643182 GETVVUWUPLHXBE-UHFFFAOYSA-N 366.406 2.363 0 1 FEAF COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccc(O)cc45)[C@@H]3C[C@@H]21 5605983 XKJJSWXADRRQKQ-HRHDOCNUSA-N 370.449 2.353 0 1 FEAF CCCCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)N(C)C4=O)cc1 13111123 RSXRKAGCCDDONS-MHORFTMASA-N 368.433 2.388 0 1 FEAF CCC(=O)N(c1ccccc1)C1(COC)CCN(CCC(=O)OC)CC1 13822771 GCGRNRKCSBCKGB-UHFFFAOYSA-N 362.470 2.474 0 1 FEAF O=C(O)c1cccc(N2CCN(C(=O)COc3cccc(F)c3)CC2)c1 1857597186 NACBXHDVTJOUJI-UHFFFAOYSA-N 358.369 2.252 0 1 FEAF O=C(CN(C(=O)[C@H]1CSC(=O)C1)c1cccc(F)c1)NC1CCCC1 1328255 FEIKQBNIGTUXNC-GFCCVEGCSA-N 364.442 2.497 0 3 FEAF C[C@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCOCC4)cc3n21 27525263 SFHOGQGHJGUGAL-MRVPVSSYSA-N 350.371 2.300 0 1 FEAF CNC(=O)[C@@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)O)C(C)(C)C 219866717 RPEMCHYEPZNXLW-DOTOQJQBSA-N 362.470 2.377 0 1 FEAF C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCN(C)C 82084036 KAFWDOZMEPFQOF-GFCCVEGCSA-N 362.455 2.110 0 1 FEAF Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1NCCc1ccc(F)cc1 82203792 ZUWSHWDSORTEND-OAHLLOKOSA-N 357.433 2.280 0 1 FEAF CC(C)N1CCN(C(=O)OC2CCN(c3ccn4ccnc4c3)CC2)CC1 141732156 XQHNCUHPIQGTEM-UHFFFAOYSA-N 371.485 2.466 0 1 FEAF O=C(c1ccc(F)cc1Cl)N1CCn2c(Br)nnc2C1 95565829 NEPUSHSNQHMCJY-UHFFFAOYSA-N 359.586 2.489 0 1 FEAF COc1cc2c(c3c1OCO3)-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2 238767347 RQBJMBIJPXQVMP-AWEZNQCLSA-N 369.373 2.280 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C 299882693 QEJDHXPCFIAKER-FMGCEQJTSA-N 368.518 2.262 0 1 FEAF CS(=O)(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587119427 XGOHSAJNYPEDHU-UHFFFAOYSA-N 358.345 2.424 0 1 FEAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(F)c(Br)n3)nc12 587155858 UEJSWEMKICNKEH-UHFFFAOYSA-N 371.191 2.174 0 1 FEAF Cc1c(-c2cncc(Cl)c2)sc2c1c(=O)n(CCCO)c(=O)n2C 1772619186 HCCXSURCXUYLSE-UHFFFAOYSA-N 365.842 2.168 0 1 FEAF CN(CC(=O)N1CCCCCC1)S(=O)(=O)c1cccc2cccnc12 5067286 WTZGMXDRSTXZBT-UHFFFAOYSA-N 361.467 2.258 0 3 FEAF O=C(Nc1ccc(N2CCC[C@H](O)C2)cc1)c1snc2c(O)ncnc12 8581704 FZLJIRKFWZQKKY-LBPRGKRZSA-N 371.422 2.005 0 3 FEAF CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]2(OC)C=C[C@@]3(C[C@@H]2N)[C@H]1C5 58577345 YJJFLCYVPICLME-LRVUYGIZSA-N 368.477 2.104 0 1 FEAF CCOC(=O)Nc1cc(N[C@@H](C)[C@H](O)c2ccc(O)cc2)c(N)c(N)n1 27193529 SLKUSXNCOQWAPI-VFZGTOFNSA-N 361.402 2.054 0 1 FEAF COCC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCC(OC)CC1 26155518 FVPIXETWLHRAQC-OAHLLOKOSA-N 367.442 2.125 0 1 FEAF C[C@@H]1OC=C(C(=O)O)[C@@H]2C[C@@H]3N(CC[C@]34Nc3ccccc3C4=O)C[C@@H]12 2356632178 XJBQLDFXLQMHKY-UJOOUMPKSA-N 354.406 2.131 0 1 FEAF COc1ccc([C@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@H]2O)cc1 28468656 KECQJHWYDSLEDP-AEFFLSMTSA-N 358.394 2.131 0 1 FEAF CN(C)[C@]1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 28821284 BOXRBFJLKOMZNE-LJQANCHMSA-N 352.450 2.304 0 1 FEAF C[C@@H]1[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@@H](O)C1)O2 238739335 SDWMGUVLMJYDMR-XJXUUHKGSA-N 352.471 2.425 0 1 FEAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccn1 95567371 VLZSOFFJGXHIAQ-AABGKKOBSA-N 366.465 2.349 0 1 FEAF CNc1ncc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1 95603934 BWONSNVPSAEXDY-UHFFFAOYSA-N 362.440 2.033 0 1 FEAF CC(C)C[C@@H]1COc2cc(N3CCSCC3)ccc2S(=O)(=O)N1 95605650 NNMHWDZHNHMMJC-CYBMUJFWSA-N 356.513 2.325 0 3 FEAF O=C(NC1=CC2=NC(Cc3c[nH]c4ccccc34)=N[C@H]2C=C1)[C@@H]1CCCN1 621478343 PEPZSAPGHIMNRQ-ROUUACIJSA-N 359.433 2.254 0 1 FEAF Cc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 586942074 GMSMOFLGUTXKMI-UHFFFAOYSA-N 350.831 2.441 0 1 FEAF NC(=O)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587162300 AQERPNTYJIOVRD-UHFFFAOYSA-N 365.368 2.079 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ncnc2O)N1 587779813 WHYXTXQOJQATLX-QTTZVWFDSA-N 354.179 2.413 0 1 FEAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)nn(CC(=O)O)c1C)[C@@H](C2)C3=O 587432990 ULIANMFETVURDC-ORAYPTAESA-N 356.378 2.256 0 1 FEAF Oc1nc(O)c(I)c(-c2nc3ccccc3[nH]2)n1 587181897 HECFBZJYEHVCQI-UHFFFAOYSA-N 354.107 2.036 0 1 FEAF NC1CCC(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)CC1 82108515 FFGPSNQEUOIWAH-UHFFFAOYSA-N 359.518 2.023 0 1 FEAF C[C@H]1CN(c2ccnc([C@@H](C)O)n2)CCN1c1cnc2ccccc2n1 13472187 NTINFSTYXXIIBQ-UONOGXRCSA-N 350.426 2.188 0 1 FEAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(F)cccc3nc2-1 13832879 NHQHKGQJBNBMSV-FQEVSTJZSA-N 366.348 2.219 0 1 FEAF C[C@@H](C[PH](O)(O)C1=CCCN1C(=O)OCc1ccccc1)C(=O)O 169685918 AARIUGSBSPVDBN-LBPRGKRZSA-N 355.327 2.156 0 1 FEAF Oc1cccc(N=c2[nH]c(=NCCOc3ccccc3)[nH]c3[nH]cnc23)c1 1857551123 GHHZYOGCVQJTHA-UHFFFAOYSA-N 362.393 2.137 0 1 FEAF N#CN1CC[C@@H](NC(=O)c2ccc(N3CCC[C@@H]3c3cccnc3)nc2)C1 1857617377 MTJXHXNNDCGFDT-QZTJIDSGSA-N 362.437 2.103 0 1 FEAF O=C(c1ccccc1)N1CCN(C[C@@H](O)COC[C@H]2CC=CCC2)CC1 20026344 SDURUYRZFZLZBY-AZUAARDMSA-N 358.482 2.178 0 3 FEAF C[C@@]1(CO)[C@H]2CC=C3C[C@H]4C[C@]3(CC[C@@]4(O)C(=O)O)[C@]2(C)CC[C@H]1O 2356326243 VZCNFBDSJFYVOH-XGRAKDAMSA-N 350.455 2.098 0 1 FEAF C[N+]1=C(Cc2ccc3c(c2C(=O)O)OCO3)c2cc3c(cc2CC1)OCO3 33832249 FCKNGGXEBKSQGK-UHFFFAOYSA-O 368.365 2.072 0 1 FEAF biogenic,in-vitro N[C@@H](CC(=O)Nc1ccccc1C(=O)O)c1nc(-c2ccc(O)cc2)no1 71332987 AXWCJXNCHIYWDN-ZDUSSCGKSA-N 368.349 2.169 0 1 FEAF C[C@H]1Oc2ccc(-c3cccnc3F)cc2[C@@]2(COC(N)=N2)C12COC2 220715205 GBWBGGRZIJBHOV-WYRIXSBYSA-N 355.369 2.225 0 1 FEAF CN1CCC[C@H]1COC(=O)CNC(=O)c1csc(Nc2ccccc2)n1 82085004 UEQRTYXQBYBIRI-AWEZNQCLSA-N 374.466 2.254 0 1 FEAF CO[C@@H]1CC[C@H](c2ccc([C@H]3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O 253930028 WCRVYIZHQXJKDN-MJKGWSOKSA-N 373.449 2.464 0 1 FEAF COC(=O)c1ccc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2n1 587246907 JWEWJWHQKTZDIY-IBGZPJMESA-N 352.394 2.096 0 1 FEAF CC1CCC(NS(=O)(=O)Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)CC1 586952139 CWQDFTZIYUUDHX-UHFFFAOYSA-N 369.418 2.398 0 1 FEAF COc1cccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)c1OC 13603262 BZPGOKAUFAWVKW-UHFFFAOYSA-N 371.437 2.223 0 1 FEAF COC(=O)c1cn(C[C@@H](C)Oc2ccc(Br)cc2OC)nn1 1857533678 QGOYLIFXHYJLOZ-SECBINFHSA-N 370.203 2.303 0 1 FEAF O=C(NC1CCCCC1)[C@@H]1CCCN(c2nnnn2-c2ccccc2)C1 4354194 IDNKLTARJAWKAT-OAHLLOKOSA-N 354.458 2.328 0 3 FEAF CN(C[C@H]1NC(=O)O[C@@H]1COC(=O)Cc1ccccc1)c1ccccc1 29048190 XJPOGWCLZJYSGE-QZTJIDSGSA-N 354.406 2.386 0 1 FEAF C[C@@]12C[C@@H]3OC(=O)[C@@H]4CCC[C@@](O[C@@H]5[C@H](c6ccoc6)OC(=O)[C@H]51)(O2)[C@@]34C 2356395835 XSUYRBLFYMCFCL-CYYBTTPCSA-N 374.389 2.500 0 1 FEAF CC(C)=CCc1c(O)c(C)c(O)c2c1[C@H]([C@]1(C)C[C@H](O)C(=O)O1)OC2=O 2356619271 YZBQWOKLCWGSMK-MAAWUACBSA-N 362.378 2.193 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]2[C@@]1(C)O 2356649161 BOOUTSYULZVFNI-VNEALKQTSA-N 364.438 2.387 0 1 FEAF C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)O 64447557 LKOHUPKHKBQIDS-VMNDGTEUSA-N 352.471 2.177 0 1 FEAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 2356870446 XRHIKCUDHMGCKH-OTWHNJEPSA-N 363.546 2.435 0 1 FEAF COC(=O)CC[C@H]1CC[C@H](C(=O)OC)c2ccc(S(=O)(=O)O)cc21 2356875790 ZTNLIVFMOYNFBS-MFKMUULPSA-N 356.396 2.021 0 1 FEAF CCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O 45348265 OKKKKDDZWVEAJT-UHFFFAOYSA-N 364.405 2.149 0 1 FEAF COc1ccccc1N1CCN(CCOc2ccc3nn[nH]c3c2)CC1 43052825 GIAKVIIADZNGFQ-UHFFFAOYSA-N 353.426 2.168 0 1 FEAF Cn1cc(NC(=O)c2ccc3cc4n(c3c2)CC(C)(C)CNC4=O)cn1 147852612 MARCOCCKHYFPPI-UHFFFAOYSA-N 351.410 2.397 0 1 FEAF C/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)[C@H](C)[C@H](O)C[C@@H]1CC(O)=CC(=O)O1 238746982 DPLVZZAZGYXULT-RVUFUSTHSA-N 354.443 2.011 0 1 FEAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](O)[C@H](O)[C@@]13C[C@H](CO)[C@@H](CC[C@@H]21)C3 257418755 FQXFNQBHZJYODR-NOGGIXJISA-N 352.471 2.034 0 1 FEAF endogenous,in-man CC(C)c1ccc(-n2ncc(C(=O)NC[C@@H]3COC(C)(C)O3)c2N)cc1 299852515 TWZFWOHQMKLGPH-OAHLLOKOSA-N 358.442 2.459 0 1 FEAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cnnn1 587866590 NOHGTRULWQWUIM-UHFFFAOYSA-N 366.303 2.295 0 1 FEAF CCOC(=O)C(=O)C[C@@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 587396200 XQMNYCCFELSATR-HXUWFJFHSA-N 368.389 2.355 0 1 FEAF CCOC(=O)CNc1ccc(-c2nc3nccc(C(=O)OC)c3[nH]2)cc1 587225232 OABJAQOPBILPBO-UHFFFAOYSA-N 354.366 2.387 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1cn(COC(=O)C(C)(C)C)nn1)[C@@H](C2)C3=O 587435147 DCKJYMMUYSAAPG-SJCJKPOMSA-N 371.393 2.322 0 1 FEAF N=c1[nH]c2nc(CNC(=O)c3cccc(C(F)(F)F)c3)nc-2c(Cl)[nH]1 587110847 FHUBIBQGPOTESA-UHFFFAOYSA-N 370.722 2.319 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(Cn1nc(Cl)nc1Cl)NCC2 962924541 KNWIOBKRJKOUST-INIZCTEOSA-N 368.268 2.348 0 1 FEAF COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)Cc1ccccc1 1772624780 PZAYZTYHHVPMFG-KRWDZBQOSA-N 351.406 2.419 0 1 FEAF O=C(O)c1nccc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)n1 1772618941 OXCZIXIFHDRHNY-UHFFFAOYSA-N 363.801 2.206 0 1 FEAF NC1=N[C@H](c2c(Br)[nH]c3cc(O)c(Br)cc23)CN1 15122151 CNFOGMRBBCOEBB-ZETCQYMHSA-N 374.036 2.358 0 1 FEAF biogenic COc1cccc([C@H]2c3cc4c(cc3O[C@@H]3COC(=O)[C@H]32)OCO4)c1OC 17249966 NUCFVLUQYPWOTM-FGTMMUONSA-N 370.357 2.498 0 1 FEAF Cc1c(C(=O)N2C[C@@H]2c2ccccc2)cnn1-c1nc(O)c2c(n1)CCC2 1857610727 KOZHHMDUZBPCQK-BPNWFJGMSA-N 361.405 2.362 0 1 FEAF Nc1nc(SCc2cc(=O)n3nc(C4CCCCC4)sc3n2)n[nH]1 7007187 HNLMISJYHISMPP-UHFFFAOYSA-N 363.472 2.191 0 1 FEAF CN1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)csc2=N)CC1 101703909 AXKCLMARXPEYOI-UHFFFAOYSA-N 350.875 2.123 0 1 FEAF CCOc1ccccc1C(=O)N1C[C@@H]2CN(c3nccc(OC)n3)C[C@H]2C1 116823691 KNSQXGQTBLTKPU-HUUCEWRRSA-N 368.437 2.092 0 1 FEAF COCCNC(=O)[C@]1(C)CCCN(Cc2cc(-c3ccccc3)n(C)n2)C1 61906906 LMLSYKLDZHAEND-OAQYLSRUSA-N 370.497 2.452 0 3 FEAF CC(C)=CC(=O)O[C@@H]1CC=C2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@@H]1C 2356744698 AYZOKQQDGDMCDQ-LTVGJBNKSA-N 362.422 2.163 0 1 FEAF COc1cc2nc(CNc3ccc(C(=O)O)cc3)[nH]c(=O)c2cc1OC 73221540 PQWGLFSDKNXYPX-UHFFFAOYSA-N 355.350 2.251 0 1 FEAF CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(-c2cccnc2)cc1 35900358 MLSAGGODNSGYLO-MOPGFXCFSA-N 359.495 2.474 0 1 FEAF COc1cc2c(c(OC)c1OC)C(=O)[C@H](O)[C@H](c1ccc3c(c1)OCO3)O2 40933109 AYPGESFHEGJMCN-IRXDYDNUSA-N 374.345 2.118 0 1 FEAF CCCCCN[C@]12C=CC(=O)[C@H]3Oc4c(O)ccc5c4[C@]31CCN(C)[C@H]2C5 22851783 NRPCWSUJMWEFOK-UPZYVNNASA-N 368.477 2.309 0 1 FEAF biogenic C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C 257694454 YOQIGAVHLYFIAF-MZXQKOJYSA-N 364.438 2.243 0 1 FEAF endogenous,in-man COc1ccccc1O[C@@H]1CC[C@H](NC[C@H]2COc3ccccc3O2)[C@H]1O 253660951 VEWHQFCTRYPEDT-VUEDXXQZSA-N 371.433 2.396 0 1 FEAF O=C(O)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586889752 MSXMQFZSIBKZOL-YUMQZZPRSA-N 358.194 2.079 0 1 FEAF NC[C@]1(c2nc[nH]c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348386 RLCYIXPJSQIOFO-KXBFYZLASA-N 368.368 2.050 0 1 FEAF Oc1nc(NCc2ccccc2)c2nc([C@@H](O)C3CCOCC3)nc-2[nH]1 586912228 BKASAIWJLNXGAW-AWEZNQCLSA-N 355.398 2.082 0 1 FEAF COc1nccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587202136 FVQAJNCJPXSDCT-ZDUSSCGKSA-N 370.365 2.409 0 1 FEAF COCCN1CCN([C@H](CN2CCC(N(C)C)CC2)c2ccccc2)CC1 198330986 DCFGUTQDPLTKGB-JOCHJYFZSA-N 374.573 2.018 0 1 FEAF C=c1[nH]n(-c2ccccc2)c(=O)/c1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 169728277 UGSIDYOLSGZFDF-CPNJWEJPSA-N 372.380 2.363 0 1 FEAF CCN(C(=S)N[C@H](C(=O)N[C@@H](C)C(=O)OC)C(C)C)c1ccccc1 1651321 UOYNUNNNFCFQAW-ZFWWWQNUSA-N 365.499 2.090 0 1 FEAF Cc1c(N2CC[C@H](N(C)C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3637720 ZHKKPDRPAGQYLF-ZDUSSCGKSA-N 373.428 2.463 0 1 FEAF Cc1cc2c(cc1C)[n+]([O-])c(C(=O)NCCc1ccccc1)c(C)[n+]2[O-] 102018512 BQFLYKRAYFIQDU-UHFFFAOYSA-N 351.406 2.004 0 1 FEAF N[C@@H](CC(=O)N1CCNC[C@H]1c1ccc(F)cc1)Cc1ccccc1F 28362857 JHBGNLJXVDSAKS-MJGOQNOKSA-N 359.420 2.398 0 1 FEAF CC(=O)Nc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1 115624738 NLXAKDPXPJUMMU-UHFFFAOYSA-N 352.398 2.169 0 1 FEAF COc1cccc(OC)c1OC(=O)[C@@H]1CNCCN1Cc1ccccc1 26150887 BUYBGWAJJXCVEG-INIZCTEOSA-N 356.422 2.083 0 1 FEAF COc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)[C@H](OC(C)=O)C2=O 2356785983 YIQPDBDQTWRFMS-MAUKXSAKSA-N 360.318 2.060 0 1 FEAF COc1ccc(S(=O)(=O)N(CC(C)=O)Cc2ccco2)cc1OC 26579340 JWHHREXBOCUGLA-UHFFFAOYSA-N 353.396 2.077 0 1 FEAF O=C1C[C@H](c2ccccc2F)C(=O)N1CN1CCN(c2ccccc2)CC1 84732240 RGHUTFTYDHDSGK-GOSISDBHSA-N 367.424 2.448 0 1 FEAF COC(=O)c1ccc(N2N=[N+](C34CC5CC(CC(C5)C3)C4)N[C@@H]2O)cc1 45338931 NCCINHKMRHQEGH-VLZNNYHMSA-N 357.434 2.422 0 1 FEAF CCO[C@H]1CO[C@@H]2Oc3cc(OC)c4c5c(c(=O)oc4c3[C@H]12)C(=O)CC5 238774383 XVGSZYUKPBGPPW-XGINMYPSSA-N 358.346 2.168 0 1 FEAF C=CS(=O)(=O)NCCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 621485968 WNGGDAXEZHBRBE-UHFFFAOYSA-N 354.815 2.393 0 1 FEAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 587936273 KJBOSESNEZXYLE-HWPZZCPQSA-N 361.423 2.056 0 1 FEAF Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 586921455 IOUFSLHAXMCIRT-UHFFFAOYSA-N 360.773 2.343 0 1 FEAF Cc1ccnc2c1CCN[C@]2(C)c1ccc(N2CCCS2(=O)=O)cc1 963078124 WVYYOSNTNXZBMU-LJQANCHMSA-N 357.479 2.339 0 1 FEAF CCC(=O)C[C@@]1(c2cccnc2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963521019 AKKUEKUOEKROBC-JXFKEZNVSA-N 354.406 2.307 0 1 FEAF O=C(CNc1cc(Br)cc2[nH]ncc12)NC1CCOCC1 1772644158 YAPXXZFPMHMQBB-UHFFFAOYSA-N 353.220 2.033 0 1 FEAF COCCNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C 13660765 MZZDTQXXKZJNQU-ZYSHUDEJSA-N 364.449 2.327 0 3 FEAF COc1cc([C@H]2c3cc(O)c(OC)cc3C=C(CO)[C@@H]2CO)ccc1O 14435380 AKOLXLNVZGAYAV-YWZLYKJASA-N 358.390 2.245 0 1 FEAF biogenic,in-vitro COc1cccc(-n2cc(COc3ccc(OCC(=O)O)c(F)c3)nn2)c1 1857594214 IQJAUSAEQKQGHU-UHFFFAOYSA-N 373.340 2.457 0 1 FEAF Cn1nc(/C=C2\C[C@](CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc21 1857633305 JUQWOEUIWMGUBF-SQSZOCELSA-N 372.421 2.224 0 1 FEAF CC1=C2[C@H](OC(=O)C(C)C)[C@]3(C)[C@H](C)CCC[C@]3(O)C[C@@]2(O)OC1=O 2356378022 SWBUICHZUKBNOP-ZOXGBMBOSA-N 352.427 2.077 0 1 FEAF CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC(C)(C)O2 2487200 JTPCCONPWAOOAD-NVXWUHKLSA-N 364.486 2.416 0 1 FEAF COc1cc2nc(COc3ccc(Cl)cc3)n(N)c(=O)c2cc1OC 103200443 UBJXFENMCQKCME-UHFFFAOYSA-N 361.785 2.360 0 1 FEAF CCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(CC)c1=O 103251246 ODHTZSWVQCWNPJ-UHFFFAOYSA-N 357.389 2.080 0 1 FEAF COc1c(OCC=C(C)C[C@@H]2C=C(CO)C(=O)O2)ccc2ccc(=O)oc12 2356425151 HACQBASUCUIDNQ-OAHLLOKOSA-N 372.373 2.361 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C[C@H](O)[C@]13COC(=O)[C@H]1C=CC[C@@H]32 2356464557 NYEJHAGTUYDMIT-YTXRDGOUSA-N 356.374 2.310 0 1 FEAF Cc1n[nH]c2ccc(-c3cncc(OCCN(C)S(C)(=O)=O)c3)cc12 63539956 ONSQVIFJAFIKFZ-UHFFFAOYSA-N 360.439 2.204 0 1 FEAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1C1=CCN(C(=O)OC)C=C1 27713505 OJWJLCWNXGSSRJ-WTNDLDAUSA-N 362.382 2.462 0 1 FEAF O=C(O)c1cc(CN2CCC(n3ccnc3)CC2)c2ccccn2c1=O 66073596 VNMZNRBOIVEZMV-UHFFFAOYSA-N 352.394 2.031 0 1 FEAF COC[C@H]1CN(c2ncnc3[nH]cc(-c4cccc(C#N)c4F)c23)CCO1 224890990 ZKHFKYILMCNJCH-CYBMUJFWSA-N 367.384 2.487 0 1 FEAF COc1ccc(CNC(=O)c2c(C)n(O)c3ccc(C)cc3[n+]2=O)cc1 49068391 FDWDGAQYHKKBHG-UHFFFAOYSA-O 354.386 2.349 0 1 FEAF Cc1ccc(C(=O)C2CCN([C@@H]3Cc4c(N)cccc4C[C@H]3O)CC2)cn1 96273562 NKPJJBNDFZTMMX-NHCUHLMSSA-N 365.477 2.395 0 1 FEAF CC1(C)Oc2ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2[C@@H](O)[C@@H]1O 40392215 SJILHXXGADEART-IPELMVKDSA-N 372.373 2.370 0 1 FEAF biogenic Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 586950765 CKCSNGQEOGFRKG-UHFFFAOYSA-N 370.387 2.204 0 1 FEAF Nc1ncnc2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc12 587019145 IPFPCTWPEWHHTA-UHFFFAOYSA-N 357.424 2.296 0 1 FEAF C[C@@]1(c2ccc(N3CCNC3=O)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962903184 WBTBYQPMBPFXLG-JXFKEZNVSA-N 369.396 2.218 0 1 FEAF c1ccc2c(c1)OC[C@H](CN1CCN(c3cccc4c3OCCO4)CC1)O2 13738300 OXYYVVAPCYJQBT-INIZCTEOSA-N 368.433 2.420 0 1 FEAF COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=CC1=CC(=O)N3C[C@H]2OC 15203638 GGVTWFRUJRJVGT-YHBQJITHSA-N 357.406 2.344 0 1 FEAF biogenic CNC(=O)c1nc(-c2cc(C)c3c(c2)CN([C@@H](C)C2CC2)C3=O)cnc1N 1857751411 ZXWFXYNECDHLJA-NSHDSACASA-N 365.437 2.148 0 1 FEAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@H]2[C@@H]1C 2356322143 ZFKXNBKKSJPZIT-BYVYUCEWSA-N 352.519 2.475 0 1 FEAF CCCSc1ccc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)ccc2c1 28825537 JVFNEDQRHDMHKH-XDNAFOTISA-N 350.436 2.160 0 1 FEAF CCCNC(=S)SC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 103264652 RZWPJAAFPZBXOO-HNNXBMFYSA-N 372.466 2.462 0 1 FEAF COc1ccc2[nH]cc(C(=O)C(=O)N[C@H](Cc3ccccc3)C(=O)O)c2c1 26568001 NATJVYIBGWHROO-QGZVFWFLSA-N 366.373 2.171 0 1 FEAF O[C@@H]1[C@H](NC2CCCC2)[C@H]2CO[C@@H](O2)[C@H]1n1cc(-c2ccccc2)cn1 2356319116 DBYCJLIIEGBOPY-OBKDMQGPSA-N 355.438 2.108 0 1 FEAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]23C(=O)O[C@](C)(O)[C@@H]2CC[C@@]13O 2356731842 FFZQIXTWKFKKBC-WYSQAWALSA-N 364.482 2.367 0 1 FEAF CN1C[C@@H](NC2CCC2)CCC[C@H](C(=O)N(C)Cc2cccnc2)CC1=O 2356754817 NQSRDQSJPLIOOE-HKUYNNGSSA-N 372.513 2.199 0 1 FEAF Cc1ccc2c(NC(=O)[C@H](C)O)c(O)c3c(c2n1)C=C[C@@]1(C)C=CC(=O)N31 2356792259 JMWGAVNXQRWSGS-YBTHPKLGSA-N 365.389 2.256 0 1 FEAF Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2cc(C#N)cn2)n1 143096556 NUFFPUPTXDTLSE-UHFFFAOYSA-N 370.420 2.333 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C[C@@H](O)[C@@]13COC(=O)[C@@H]1C=CC[C@H]23 238770983 NYEJHAGTUYDMIT-PNSJOKRPSA-N 356.374 2.310 0 1 FEAF CC1CCC(NC(=O)c2cc3cccnc3n(CCCCO)c2=O)CC1 299839882 TXLYAPSVJBMCRY-UHFFFAOYSA-N 357.454 2.478 0 1 FEAF COc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1Cl 586928414 ACDGFFDJHOAZGG-UHFFFAOYSA-N 366.830 2.441 0 1 FEAF CN(C)CCOc1ccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2c1 587256278 DGEXEQOPJTUBKG-CQSZACIVSA-N 362.474 2.105 0 1 FEAF NC(=O)CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655667 DQSNYDRBYROLMV-UHFFFAOYSA-N 357.316 2.247 0 1 FEAF CCNC(=O)N1CCC2(CC1)NCCc1cnc3c(OC)cccc3c12 963062865 XVTPZBHFRKUUOT-UHFFFAOYSA-N 354.454 2.410 0 1 FEAF C[C@@H]1Oc2ccc(-c3cccnc3F)cc2[C@]2(COC(=N)N2)C12COC2 1772609948 GBWBGGRZIJBHOV-JEOXALJRSA-N 355.369 2.435 0 1 FEAF Oc1ccc2c(c1)O[C@@H]1C[C@]1(N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O 13779266 CWBWGMHWJFBEAL-SVFBPWRDSA-N 371.408 2.452 0 1 FEAF COc1cc([C@H]2C[C@@H](O)C[C@@H]([C@@H](O)Cc3ccc(O)cc3)O2)ccc1O 14686751 UKFYIKOSRJMAAB-QEEHTWDDSA-N 360.406 2.291 0 1 FEAF C[C@@]1(c2cccc(NC(=O)c3ccc(C#N)cn3)c2)Cn2nccc2C(N)=N1 202015096 WNSFYBCKLLABCJ-FQEVSTJZSA-N 371.404 2.036 0 1 FEAF Cc1c(N2CC[C@H](C)[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520884 OPGBFXUKEQRDKW-QFYYESIMSA-N 373.428 2.496 0 1 FEAF O=c1c2ncn([C@H]3C=C[C@@H](CO)C3)c2nc2[nH]c(-c3ccsc3)cn12 102237858 JUEKQQGNFGYHHX-PWSUYJOCSA-N 353.407 2.210 0 1 FEAF Cn1c(C[C@@H]2CN(Cc3cnc[nH]3)CC[C@@H]2CC(=O)O)nc2ccccc21 2356305984 XUKJEMVRFGMDKV-HUUCEWRRSA-N 367.453 2.452 0 1 FEAF O=C1OC[C@@H](Cc2cc3c(cc2O)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 2356530873 USDSELQVFVZGHP-ZIAGYGMSSA-N 370.357 2.424 0 1 FEAF CC(C)(C)C(=O)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5 73166826 KKYCNPHWWBYOJF-INDMIFKZSA-N 371.433 2.346 0 1 FEAF O=S(=O)(c1ccccc1)c1cc(OCCO)c2oc3c(c2c1)CNCC3 147601311 RBOGIWCWYSJEBZ-UHFFFAOYSA-N 373.430 2.282 0 1 FEAF CCCC(=O)N1CCC2(CC1)CN[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 95796357 SAXTURHULWJRBV-KRWDZBQOSA-N 371.481 2.473 0 1 FEAF Cc1cc2ccnc(N[C@H]3CCNC[C@@H]3OCC3CCOCC3)c2nc1O 473110527 WQRNWMZRQPJCMQ-IRXDYDNUSA-N 372.469 2.229 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(CCO)c2)N1 587762420 YSADHNYKDBYLAJ-BJOHPYRUSA-N 354.223 2.401 0 1 FEAF Cc1c(Br)cc2nc(CCS(=O)(=O)N(C)C)[nH]c2c1C 586930372 KPGSBAOFVXKHKN-UHFFFAOYSA-N 360.277 2.376 0 1 FEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Br)ncc2[nH]1 587256670 MCGPRTQHTCKRDM-MRVPVSSYSA-N 355.236 2.322 0 1 FEAF Oc1nc(O)c2ccc(-c3cn(Cc4ccc(Cl)cc4)nn3)nc2n1 587368183 DLUFLTMKFCKMLE-UHFFFAOYSA-N 354.757 2.396 0 1 FEAF NC(=O)[C@@H]1Nc2ccccc2C(=O)[C@]12c1c(F)cccc1C[C@@H]1CCCN12 963109683 PWFHOJGFDHIVTJ-FPSMJMQUSA-N 365.408 2.204 0 1 FEAF CCn1c(=O)c2c(nc(COc3ccc(Cl)cc3)n2C)n(CC)c1=O 1772593893 PWMPIKDBDMVXRE-UHFFFAOYSA-N 362.817 2.169 0 1 FEAF O=S(=O)(NCCO)c1cccnc1Nc1cccc(C(F)(F)F)c1 1772654340 UXVAWJGCVDXVTM-UHFFFAOYSA-N 361.345 2.115 0 1 FEAF COc1cc2c(N3CCNCC3)nc(N(C)C)nc2cc1OC1CCCC1 1857656426 XXZZSGAKOMZPLQ-UHFFFAOYSA-N 371.485 2.435 0 1 FEAF Cc1cc(-c2nc(=NC3CC(F)(F)C3)[nH]c(=NC3CC(F)(F)C3)[nH]2)no1 1857765668 JWLFPLOMUNYBLN-UHFFFAOYSA-N 372.326 2.098 0 1 FEAF Cc1cc(C(=O)[C@@H]2C(=O)Nc3ccccc32)c(C(=O)N2CCCC2)c(O)n1 1857769250 IKXQCSKASDGJSE-OAHLLOKOSA-N 365.389 2.250 0 1 FEAF CC(C)CN1C[C@@H](O)CN(C(=O)c2cccc(C(F)(F)F)c2)CC1=O 105846899 LKHXZUHNYONFLR-CQSZACIVSA-N 358.360 2.007 0 1 FEAF O=C(CSc1nnnn1[C@@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccc(C(=O)O)cc1 104044927 OIROBBRJWJTYBR-MPKXVKKWSA-N 371.422 2.239 0 1 FEAF Brc1cc2c(cc1Br)O[C@H](C1=NCCN1)CO2 27896008 XHIOJVWKZABRML-JTQLQIEISA-N 362.021 2.353 0 1 FEAF CN(C)C(=S)SC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 103264695 MGVWICXISGDHBT-AWEZNQCLSA-N 358.439 2.024 0 1 FEAF COC(=O)c1ccccc1NCc1cc(Cl)cc2[nH]c(=O)c(=O)[nH]c12 27868449 WVXMUULGAAITKJ-UHFFFAOYSA-N 359.769 2.269 0 1 FEAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4ccccc4o3)[C@H](C)[C@H]12 29217736 CMQLHQZNJHIJGF-GAJNKVMBSA-N 360.391 2.074 0 1 FEAF O=C1O[C@H](O)[C@@H](Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2 2356596617 OFNLHWUUBXCFIC-XOBRGWDASA-N 368.341 2.262 0 1 FEAF CO[C@@H]1C[C@]2(C)CC[C@]3(C)[C@H](C[C@H]4O[C@@]3(O)[C@H](O)[C@H]4CO)C2=C1C(C)C 2356837835 LNOVVADOOMBUOP-CHHWCULFSA-N 366.498 2.241 0 1 FEAF COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@H](c3ccncc3)[C@@H]1C2 72182211 BUJZAYWHDVQZSM-CXAGYDPISA-N 354.435 2.276 0 1 FEAF COc1ccc(/C=C/c2cc(CO[C@H]3CC(=O)[C@@H]4OC[C@H]3O4)on2)cc1 1911584379 LQMMGTPLVPCQOA-QHAFLONISA-N 357.362 2.453 0 1 FEAF CCOc1ccc2cc(-c3nn([C@H](C)CCO)c(N)c3C(N)=O)cnc2c1 221712192 CKYKSFPZSGEXCP-LLVKDONJSA-N 369.425 2.122 0 1 FEAF O=C(N[C@H]1CCc2cc3c(O)nc(O)nc3nc2C1)OCc1ccccc1 587556208 VUZJARVAHMLSTC-ZDUSSCGKSA-N 366.377 2.220 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2c1 587245407 XRTYDCKDXMCKHG-KHPPLWFESA-N 370.434 2.465 0 1 FEAF COc1c(/C=C/CO)c(NS(=O)(=O)c2cccs2)cc2c1OCO2 218983849 WWEHHALAXXRNLT-DUXPYHPUSA-N 369.420 2.292 0 1 FEAF COc1ccc2c(c1)OCC(=O)N2Cc1cn(Cc2ccccc2)nn1 1772648457 WQSMSVVZPSPNJD-UHFFFAOYSA-N 350.378 2.261 0 1 FEAF C[C@@H]1C(=O)NCCN1C(=O)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 1772599572 NOYODDUFFJWPJF-LLVKDONJSA-N 374.404 2.067 0 1 FEAF O=C(CN1CCOCC1)Nc1ccccc1OC1CCN(C2CCC2)CC1 1857544760 HIRJGWBNYBSWFW-UHFFFAOYSA-N 373.497 2.353 0 1 FEAF C[C@]1(O)CCN(C(=O)C2CCC2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356288457 DUPPEVSTHSMYPL-UEXGIBASSA-N 356.466 2.406 0 1 FEAF C[C@H]1CCC[C@H](C)N1CCNC(=O)CN1C[C@@H](c2ccccc2)CC1=O 27759931 IKRQMPWOBJEDBW-LNLFQRSKSA-N 357.498 2.382 0 1 FEAF CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NCCO 25428050 PROXDUGAXYIWMM-CABCVRRESA-N 363.458 2.074 0 1 FEAF biogenic CN(CCO)C1CCN(c2ncc3c(n2)CCN3c2ccccc2)CC1 65489085 UPSRINNIPGOKMG-UHFFFAOYSA-N 353.470 2.064 0 1 FEAF CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)CC2=Cc3ccccc3N[C@@H]21 2356585273 KLWPJMFMVPTNCC-FXAWDEMLSA-N 350.374 2.067 0 1 FEAF O=C1OC[C@@](O)(Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2 2356655940 BWMJBJJDRXPGGP-FQEVSTJZSA-N 368.341 2.058 0 1 FEAF NC[C@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 39053459 APQLQFSGNATQJD-LLVKDONJSA-N 359.401 2.349 0 1 FEAF O[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCN(c2ccccc2)CC1 38156634 YQRZGAQHXYANNE-FCHUYYIVSA-N 351.494 2.444 0 1 FEAF CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccsc1 40891571 DUVDFBHAXHAWFR-AEGPPILISA-N 366.483 2.145 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 238781570 NFAZPKOZGQLFNL-AMACOBBASA-N 364.438 2.243 0 1 FEAF CC(C)N(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccccc1)S(=O)(=O)c1ccccc1 95895898 MJHLLXRZRXRNAA-SLFFLAALSA-N 374.506 2.202 0 1 FEAF CN(C)CCn1c(=O)sc2cc(S(=O)(=O)c3ccccc3)ccc21 299860737 HAXBWHTXUIFJDX-UHFFFAOYSA-N 362.476 2.457 0 1 FEAF C[C@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1cc(Cl)cn1 587081530 BOPNBJHNQVYVHN-SECBINFHSA-N 353.835 2.272 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCN(C)CC3)s1)O2 587413814 PGCWPSWJTLWRAT-HNNXBMFYSA-N 358.467 2.492 0 1 FEAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1 586950779 LZKNGKRMCNMRHS-UHFFFAOYSA-N 358.423 2.479 0 1 FEAF COc1cc2c3c(c1)O[C@](C)(c1c(C)nn(CC(=O)O)c1C)[C@@H](C2)C3=O 587432988 ULIANMFETVURDC-DJJJIMSYSA-N 356.378 2.256 0 1 FEAF Cc1nn(C)c(C)c1[C@@]1(CN2CCOCC2)NCCc2cccc(Cl)c21 963389441 ABVMMNMCQNBFSM-HXUWFJFHSA-N 374.916 2.412 0 1 FEAF CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](C)[C@@H]1CCCO 13656985 SXQPDTQKPMQUPU-CKNLXJGOSA-N 373.453 2.481 0 3 FEAF C[C@@](N=c1nc(-c2ccncc2)[nH]c2cnccc12)(C(=O)O)C(F)(F)F 1857546302 PYEVQSJFZMQBQW-OAHLLOKOSA-N 363.299 2.326 0 1 FEAF O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 1857601284 UHJCOKBUMCCUPH-IRXDYDNUSA-N 358.438 2.076 0 1 FEAF NC(=O)c1ccc(N2CCCCC2)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 1150014 PZLHHNNDLKIJFJ-VUWOVVPOSA-N 365.433 2.087 0 1 FEAF CC(C)[C@H]1[C@@H](OC(=O)[C@@H](C)[C@H](C)O)C[C@@H](C)[C@@H](O)CC=C2C[C@H]1OC2=O 2356425080 FFZUKRDLFPYGRN-PYDWQZCMSA-N 368.470 2.220 0 1 FEAF CCCCNC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 2458820 AVMYCGJNQUPEPM-OEMYIYORSA-N 354.450 2.193 0 1 FEAF Cc1ccc(N(C(=O)[C@H]2CCCO2)[C@@H]2C=CS(=O)(=O)C2)cc1Cl 4111024 BWJGKXSXCKFCJH-UKRRQHHQSA-N 355.843 2.471 0 3 FEAF CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O 100199778 SRISWFJLVRCABV-HMRRVJHOSA-N 368.477 2.125 0 1 FEAF in-vitro CC1(C)OC(=O)C(Oc2ncccn2)=C1c1ccc(S(C)(=O)=O)cc1 26944963 CFLVAXAAGJCMLB-UHFFFAOYSA-N 360.391 2.006 0 1 FEAF O=C1N=C(O)C[C@@]12c1ccccc1S(=O)(=O)N2Cc1ccccc1F 27523887 UFXNOXXLLVTDCN-QGZVFWFLSA-N 360.366 2.112 0 1 FEAF c1cc([C@@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@@H]3C2)ccn1 22457896 PFZHYLNVIWHQFX-MOPGFXCFSA-N 367.501 2.443 0 3 FEAF COc1ccc2cc3[n+](cc2c1OCCN)CCc1cc2c(cc1-3)OCO2 38239118 KPUQSLPNSSYVBH-UHFFFAOYSA-N 365.409 2.425 0 1 FEAF CC1=CCc2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3=O)OC1 15113576 GAIGVUUMNWDLLV-RTBURBONSA-N 370.357 2.362 0 1 FEAF biogenic COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2[C@H](C)O[C@H]1O 34290498 PRWUPBRXUFNHBE-AZABAZRXSA-N 370.449 2.230 0 1 FEAF COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1C(=O)c1ccc(N(C)C)cc1 15676540 JXRLIIDVAFALJA-KRWDZBQOSA-N 370.453 2.270 0 1 FEAF biogenic COc1cc(C[C@H]2C(=O)OC[C@H]2Cc2ccc(O)c(O)c2)cc(OC)c1O 14646687 VVACDMRLZWJKNW-ZIAGYGMSSA-N 374.389 2.395 0 1 FEAF biogenic CCN(CCNC(=N)NCc1cccc(C(N)=O)c1)c1cccc(C)c1 40893741 QVHRUEIJZQZHNY-UHFFFAOYSA-N 353.470 2.234 0 1 FEAF Cn1cc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1 221244606 MDUNRSWUMFMTLZ-AWEZNQCLSA-N 364.388 2.436 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CS(C)(=O)=O)N1 587850487 QKWQLDFAHRHNPT-SDBXPKJASA-N 350.253 2.382 0 1 FEAF Cc1c(O)ccc2c1[C@@H](c1cnn(-c3ccc(F)cc3)n1)N[C@H](C(=O)O)C2 963523533 ILZSUSUCMAYHRX-KBXCAEBGSA-N 368.368 2.109 0 1 FEAF COC(=O)COc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962917456 ZNLGABKHJDIBGZ-FUHWJXTLSA-N 359.353 2.066 0 1 FEAF Cc1ccc(C2(CC(=O)N3CC(O)C3)C3CC4CC2CC(C3)C4O)cc1 202364214 YUOUVPRNMIRFLT-UHFFFAOYSA-N 355.478 2.253 0 1 FEAF O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1C1CC1 4239134 ZCMQIONBZRRSLX-UHFFFAOYSA-N 367.384 2.164 0 1 FEAF O=C(O)c1cn(C2CC2)c2cc(N3CCN4CCC[C@@H]3C4)c(F)cc2c1=O 13650326 WQCGCCQGNUCOJN-CYBMUJFWSA-N 371.412 2.458 0 1 FEAF CCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O 13782363 WJBBMYMKZHOFID-UHFFFAOYSA-N 361.461 2.375 0 1 FEAF COc1cc2c(cc1O)[C@H](c1ccc(OC)c(OC)c1)[C@H](CO)[C@H](CO)C2 14435285 KWAWYJQFQMCYSM-PXARDIRTSA-N 374.433 2.323 0 1 FEAF biogenic CCOC(=O)c1cnc(CC2=CCCCC2)nc1NN1C(=O)C=C(C)C1=O 29395302 UDZVQXOVPIBUJT-UHFFFAOYSA-N 370.409 2.338 0 1 FEAF CC(=O)Nc1cccc2n1cc(-c1cccc(OC(=O)N(C)C)c1)[n+]2C 49045986 BSXYNWXJSDYDGT-UHFFFAOYSA-O 353.402 2.450 0 1 FEAF NC1=NC2(CCCC2)N(OCCCOc2ccc(Cl)cc2)C(N)=N1 72105900 DTGPYNYIRNOBSF-UHFFFAOYSA-N 351.838 2.256 0 1 FEAF O=C1c2cc3c(cc2OCN1CCc1cccnc1)C(=O)N1CCC[C@@H]1O3 72174977 MNJOXIBQQUPHLH-SFHVURJKSA-N 365.389 2.071 0 1 FEAF CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCCc3cccc(F)c3)n2)C1 82203749 VHXPOVCHEPPHIE-QGZVFWFLSA-N 357.433 2.294 0 1 FEAF CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(CCOc2ccc(Cl)cc2)C1 97953658 ZKESXOIOSVQTTE-IAOVAPTHSA-N 352.862 2.286 0 1 FEAF O=C(NC1CCCCC1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 101242310 ZWUANCSARYZRFS-VIPLHTEESA-N 372.490 2.479 0 1 FEAF Cc1ccc(CNC(=O)c2c(C)[n+]([O-])c3ccc(Cl)cc3[n+]2[O-])cc1 101654241 FHGNJQCZSKYIQC-UHFFFAOYSA-N 357.797 2.307 0 1 FEAF CCN(CC)C(=O)CSc1nc2nncc-2c(O)n1-c1ccccc1 103965409 CYJYTUDAYRRKIY-UHFFFAOYSA-N 357.439 2.433 0 1 FEAF CO[C@H]1CC[C@@H](N2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)CC1 117412843 MLNXSIDFWZVCJU-JCNLHEQBSA-N 371.481 2.163 0 1 FEAF O[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N1CCN(c2ccccc2)CC1 169354483 KOMGTYIYTCIZMV-FCHUYYIVSA-N 351.494 2.444 0 1 FEAF Cn1cc(-c2cc3nccnc3c(OC[C@@H]3CNCCC3(F)F)n2)cn1 203749691 WFOLLQWDLJNOGD-LBPRGKRZSA-N 360.368 2.049 0 1 FEAF C[C@@H]1C[C@@H](O)[C@]23CO[C@@H](O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 238757386 FPNYZEUDIBOJQA-VHYOPMSSSA-N 362.422 2.406 0 1 FEAF C/C=C1/CN[C@H]2C[C@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 263639145 ZORKKCARNQAZRJ-NRJKEGHNSA-N 370.449 2.184 0 1 FEAF O=C1N[C@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1 299846485 SHQZCNOHIRPOJD-YHAQOWFVSA-N 354.815 2.139 0 1 FEAF O=c1n(Cc2nc3cc(Cl)ccn3c2CO)c2cnccc2n1C1CC1 299852071 MUSXSNBWWALYGN-UHFFFAOYSA-N 369.812 2.375 0 1 FEAF CNS(=O)(=O)NCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586943384 UKFPPGNUVRJTIH-UHFFFAOYSA-N 373.463 2.393 0 1 FEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN1CCN(C)CC1 587872020 GVKCJJPCLGXFPP-UHFFFAOYSA-N 360.433 2.366 0 1 FEAF Cc1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccccc2Cl)n1 2356567188 LQCPUPMGJALTKE-ISARSNTHSA-N 361.873 2.129 0 1 FEAF CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C[C@H](Cc1ccccc1)C(=O)O 2356790524 FRMDSQRXQVVKNU-HKUYNNGSSA-N 369.417 2.342 0 1 FEAF O=c1[nH]c2c(c3nc(-c4ccccn4)nn13)CN(Cc1ccccc1)CC2 575824 ZNNAIZZYEAMYML-UHFFFAOYSA-N 358.405 2.038 0 1 FEAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NC[C@@H](O)c2ccccc2)cc1 770252 OXQDEPNRRAIRMF-WIYYLYMNSA-N 367.449 2.343 0 1 FEAF O=C1CN(C(=O)C2CCCCC2)C[C@H](O)CN1Cc1ccc(Cl)cc1 105848484 WVZJTIRCVPNUPX-QGZVFWFLSA-N 364.873 2.452 0 1 FEAF Cc1noc2nc(C)n(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c12 21647677 DNSSBHJCJZQHJI-UHFFFAOYSA-N 350.737 2.433 0 1 FEAF CCOC(=O)c1c(C)oc2cc(OCOC)c(OS(=O)(=O)O)cc12 72106737 PWHPSIJPBNLJKE-UHFFFAOYSA-N 360.340 2.082 0 1 FEAF CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccncc4)cc3OC[C@@H]12 73163136 URLQFPQUJWHASU-RDJZCZTQSA-N 357.341 2.110 0 1 FEAF O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1 40632254 UHRFTBXUWIMPLB-UHFFFAOYSA-N 367.164 2.115 0 1 FEAF CN(CC(=O)OC[C@@H]1CCCN1C)C(=O)c1coc(-c2cccs2)n1 82085822 MSQJDEKYHMEVAY-LBPRGKRZSA-N 363.439 2.113 0 1 FEAF N[C@H]1N=CNc2c(CN3C[C@H](O)[C@H](CCCc4ccccc4)C3)c[nH]c21 40540360 VHJIRTUSMSLFBE-SYNHAJSKSA-N 353.470 2.241 0 1 FEAF OC[C@H]1O[C@H](n2c(Cl)cc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 49021362 DHIQBFVYZPHZTK-JHEVNIALSA-N 352.601 2.213 0 1 FEAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](C)N2 82207118 DAQGTBHPEUGVFD-ZDUSSCGKSA-N 357.458 2.115 0 1 FEAF CC(C)(C)NC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 199208200 RQRYKSWDYNNFRT-GOSISDBHSA-N 353.422 2.459 0 3 FEAF CC(C)[C@@]1(O)C=C2[C@H](O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@@]2(O)CC1 95586981 IKFPEPLBKUUDDK-QBUATURESA-N 352.471 2.487 0 1 FEAF CS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCNCC2)cc1 147752072 QRPSWBBYMVZLHC-PMACEKPBSA-N 372.490 2.040 0 1 FEAF O=C(OC[C@@H]1C=C[C@@H](n2ccc(O)nc2=O)O1)[C@@]12C[C@@H]3CCC[C@H](C1)[C@H]3C2 253639352 SKJUKNSINSATBL-GJOCEHNNSA-N 372.421 2.162 0 1 FEAF CO[C@H]1CN(c2ccccc2)S(=O)(=O)[C@@]12CCN(Cc1ccccc1)C2 299859496 FUDXFANYMQLOOI-VQTJNVASSA-N 372.490 2.496 0 1 FEAF CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(CC(C)(C)O)C[C@H]23)c2ccccn12 653780405 SNDZYLYWJVRQAH-PHZGNYQRSA-N 370.497 2.136 0 1 FEAF COc1ccc(S(=O)(=O)Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 586921144 ZJIIXWXCHIWCHG-MRXNPFEDSA-N 360.395 2.269 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccnc(N)c1 587868169 WIHOYWPEWMDRQE-UHFFFAOYSA-N 363.299 2.638 0 1 FEAF CS(=O)(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586924383 PLLNIQGICYRSMO-MDZDMXLPSA-N 362.432 2.411 0 1 FEAF C/C(N)=C1/C(=O)OC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587744554 CHPOKIGZUVHEDT-JSDGNIDSSA-N 355.207 2.107 0 1 FEAF N[C@H](Cc1nc2cnnc(O)c2[nH]1)c1ccc(Br)cc1F 587144513 NQYKKQYGEKCZRY-SECBINFHSA-N 352.167 2.203 0 1 FEAF CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(=O)oc2ccc(C)cc12 1772581636 YGDJWEWPLQGKEI-INIZCTEOSA-N 358.419 2.457 0 1 FEAF COc1ccc(-c2cnnc(NCCCN3CCCC[C@H]3CO)n2)cc1 12468349 WBVWWXKYGIONPO-INIZCTEOSA-N 357.458 2.196 0 1 FEAF CCOC(=O)c1nc2cc(OC(=O)c3ccccc3)c(OC)cc2c(=O)[nH]1 169339048 FQMSVFAKLOHDHQ-UHFFFAOYSA-N 368.345 2.328 0 1 FEAF c1ccc(-n2nnnc2SCCCSc2nnnn2C2CC2)cc1 1857557241 BNEQRGQXZWJAOA-UHFFFAOYSA-N 360.472 2.258 0 1 FEAF O=S(=O)(Nc1cccc2cccnc12)c1ccc(N2CCOCC2)cn1 201137700 CRJQWJWMHPDVOK-UHFFFAOYSA-N 370.434 2.267 0 1 FEAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)N2CCOCC2)cc1 769694 TXVWEPLLCZJYPA-PKOBYXMFSA-N 369.421 2.296 0 1 FEAF COc1c(OCC=C(C)C[C@H]2C=C(CO)C(=O)O2)ccc2ccc(=O)oc12 2356425150 HACQBASUCUIDNQ-HNNXBMFYSA-N 372.373 2.361 0 1 FEAF O=C(c1cnccn1)N1CCC2(CCCN(Cc3nccs3)C2)CC1 4237997 YSAVRGGUVHEEPY-UHFFFAOYSA-N 357.483 2.452 0 1 FEAF Cc1c(N2CC[C@@H](C)[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520933 OPGBFXUKEQRDKW-HWPZZCPQSA-N 373.428 2.496 0 1 FEAF NCc1cn(C[C@H]2CCCN(C(=O)NCc3ccc(Cl)cc3)C2)nn1 23398164 KNNFUXJSRCAZQX-AWEZNQCLSA-N 362.865 2.012 0 1 FEAF Cc1nnc(NC(=O)C2=CC3=N[C@@H](C4CC4)C[C@H](C(F)(F)F)N3N2)s1 104008459 MOMSHHWGVGVDQX-PSASIEDQSA-N 372.376 2.001 0 3 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@@H]1C 2356639612 WMGYLVZNPCNSGB-HCHOPOLDSA-N 364.438 2.387 0 1 FEAF CCOC(=O)[C@H]1C[C@]12C(=O)Nc1ccc(I)cc12 34817180 UNNMUFIGEHHPBI-NOZJJQNGSA-N 357.147 2.064 0 1 FEAF Cc1cccn2ncc(Cn3c(=O)n(CCC(=O)O)c4ccccc43)c12 72176286 WIWJJHGROUUGDX-UHFFFAOYSA-N 350.378 2.282 0 1 FEAF COC(=O)C1=C(C)N(CC[C@H](C)O)C(=O)N(C(C)=O)[C@@H]1c1ccccc1 38142404 PUCNFVPQXONYBI-YVEFUNNKSA-N 360.410 2.230 0 1 FEAF O=c1[nH]nc2cc(CN[C@@H]3CCCNC3)c3ccc(-c4ccc[nH]4)cc3n12 84602649 WEWWRQBKJHIYIV-OAHLLOKOSA-N 362.437 2.013 0 1 FEAF NCCC(=O)N1CCc2c([nH]c3ccc(O)cc23)[C@@H]1c1cccc(O)c1 45375317 NAGFFPPJAJJYAK-FQEVSTJZSA-N 351.406 2.402 0 1 FEAF Cc1cc2c(cc1C)-n1nnnc1[C@@H](N(C)CCc1ccccc1)C(=O)N2 95602368 UPPDYIKOVLQESW-GOSISDBHSA-N 362.437 2.447 0 3 FEAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CNC(=O)CC2CC2)cc1 95895633 QHKKTSVDENPXAS-XKDYHAHZSA-N 356.466 2.311 0 1 FEAF Cn1ncc(NC(=O)c2ccccc2)c1N1CC[C@@H](O)CC(F)(F)C1 473135586 JSNGZAWCGLCKDR-CYBMUJFWSA-N 350.369 2.269 0 1 FEAF NS(=O)(=O)Cc1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 586929801 GFSWMAVWINQYRP-UHFFFAOYSA-N 367.228 2.176 0 1 FEAF COc1cc(-c2nc3nc(Br)c[nH]c-3n2)cc(OC)c1O 587786889 SFRAQRDMWMNDIA-UHFFFAOYSA-N 351.160 2.457 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C(=O)N(c4ccccc4)N(C)[C@H]1C)[C@@H](C2)C3=O 587436940 VQIHRCOREWJGIO-SAZGQGMLSA-N 364.401 2.464 0 1 FEAF COC(=O)C[C@@]1(c2c(C)nn(C)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431273 JNBTZHSTSZRYCV-JLTOFOAXSA-N 370.405 2.252 0 1 FEAF Cn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)cn1 587650210 PPMBBTIBDWZBJX-UHFFFAOYSA-N 353.350 2.420 0 1 FEAF O=C(Oc1ccccc1)N1CCc2cc3c(O)nc(O)nc3nc2CC1 587558454 RXCYOQRUGAWHJG-UHFFFAOYSA-N 352.350 2.036 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1 586909567 YOZBXFOWHUWHCF-LLVKDONJSA-N 373.434 2.394 0 1 FEAF CN(C)C(=O)[C@@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963192013 XUFYGBCGYQLTFX-OTYXRUKQSA-N 364.751 2.261 0 1 FEAF CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(C)=O)c(C)c23)c1 14974248 FOOJQJQBMWRTIZ-UHFFFAOYSA-N 368.397 2.339 0 1 FEAF Cn1c(C(C)(C)NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)noc1=O 206697732 FXRIMJMZYGJEDQ-UHFFFAOYSA-N 372.425 2.100 0 1 FEAF COc1ccc(-c2cccc(Nc3cc(=O)n(O)c(=O)n3C)c2)cc1OC 1857605669 AZEDRBOAFJHFOM-UHFFFAOYSA-N 369.377 2.212 0 1 FEAF COc1ccc2nc(CO[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]3F)[nH]c2c1 2356299206 BOGLXTQMPNJJJX-WMLDXEAASA-N 359.405 2.044 0 1 FEAF C1=CC(c2noc([C@H]3CCCN3C3CCOCC3)n2)=C[C](N2CCCC2)N1 2356310997 ZZDMDPDGGUOVBG-QGZVFWFLSA-N 370.477 2.471 0 1 FEAF O=C(OCCCN1CCN(c2ncccn2)CC1)C12C[C@@H]3C[C@H]1C[C@@H](C3)C2 101754014 KFYRIMHNAXFUER-IVRKQUHDSA-N 370.497 2.358 0 1 FEAF CCN(CC)C1CCC(NC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 27866361 NUHVXWASAZRFMO-UHFFFAOYSA-N 367.515 2.441 0 1 FEAF CC1(C)C[C@@H](C(=O)NCCCN2C(=O)c3ccccc3C2=O)C(C)(C)N1O 27103476 OPLZUNCOMIBOLV-HNNXBMFYSA-N 373.453 2.057 0 1 FEAF OCCN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 27769219 PCDQEOQFNHGVCX-HOTGVXAUSA-N 353.374 2.333 0 1 FEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1CCOC1 222420107 GVQAIMRPJCUOER-LBPRGKRZSA-N 363.421 2.420 0 1 FEAF CCOC(=O)CCNc1nc(N2CCC(N3CCCC3)CC2)ncc1C 82204088 BJGAAFLYGRICPB-UHFFFAOYSA-N 361.490 2.215 0 1 FEAF C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 95675523 PHXITHQOKRDDQC-GRGSLBFTSA-N 374.481 2.079 0 1 FEAF Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]c5)n4)CCC3)cn2)cn1 96175495 YFALXHJCTJGLMG-UHFFFAOYSA-N 360.381 2.364 0 1 FEAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(C(=N)N)cc3[nH]2)cc1 586940840 HRVBSPDTWGGTCN-CMDGGOBGSA-N 369.450 2.246 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(C(=O)O)N1 587829134 QTTDSQHPATVFNX-JKYUHCHBSA-N 360.179 2.267 0 1 FEAF COC(=O)C(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587804287 DLGUFMYNINISPF-GLEZIHRCSA-N 358.207 2.470 0 1 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@@H]4CCCCN4)c(=O)n1c23 1857571619 QIMVMRUZAKQGGD-FZMZJTMJSA-N 373.428 2.225 0 1 FEAF COc1ccc(-n2c(N3CCN(C)CC3)nc3ccccc3c2=O)cc1 1857575093 GGVHHFYDYUNZAU-UHFFFAOYSA-N 350.422 2.146 0 1 FEAF O=C1NC(=S)N/C1=C/c1cc2cc(-c3ccc4c(c3)CNC4=O)ccc2[nH]1 103237686 VMSBXFDGYSTYEM-CAOOACKPSA-N 374.425 2.424 0 1 FEAF CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(OC)C=C[C@@]3(C[C@@H]2N)[C@@H]1C5 100687123 YJJFLCYVPICLME-SDFSUKJASA-N 368.477 2.104 0 1 FEAF COC(=O)c1ccc2c(c1)nc1n2[C@H](CNCc2ccccn2)COC1 2356298764 ADEMRPQRHPZGFK-OAHLLOKOSA-N 352.394 2.079 0 1 FEAF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccc(N)cn1 27316829 YVZSSVYSNJBXEJ-OAHLLOKOSA-N 372.450 2.073 0 1 FEAF CCOC(=O)c1cnn(C[C@H](O)CC)c1NC(=O)NCc1ccccc1 40896926 DDJIEBZFVCZGAF-CQSZACIVSA-N 360.414 2.152 0 1 FEAF CC(C)(O)[C@]1(O)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 139411859 RSKXVFWGGCGVMM-AZBDUMLBSA-N 352.471 2.487 0 1 FEAF CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@H]1CCN(c2ccccc2)C1=O 46106109 LQYYGTCNUKRLIC-MRXNPFEDSA-N 352.438 2.300 0 1 FEAF O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 299877170 GUTAYNSVZHYNJE-JZXOWHBKSA-N 367.405 2.156 0 1 FEAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2CCSC[C@H]2C1 299808142 OLAQPXPMIQWQCE-WDEREUQCSA-N 355.891 2.240 0 1 FEAF Nc1ncc(-c2cccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2)cn1 587255137 ZHUJXCRSHLGMPF-UHFFFAOYSA-N 367.390 2.516 0 1 FEAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(Br)cnc3[nH]2)c1 587260063 RLKJWLJHJLCOCG-NSHDSACASA-N 360.215 2.062 0 1 FEAF Nc1nc(O)c2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2n1 587082565 SIRWYULPFDHDCX-UHFFFAOYSA-N 357.761 2.194 0 1 FEAF CCOc1ccccc1[C@@](N)(c1nc2c(N)ncnc2[nH]1)C(F)(F)F 587091877 HFBUSHZYIZZVJC-CQSZACIVSA-N 352.320 2.098 0 1 FEAF CN(C)CCOc1cccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962918401 HLQQSVQKJGKUSO-RBUKOAKNSA-N 358.413 2.454 0 1 FEAF Cc1ccnc2c1CCN[C@]2(CCC(=O)NCCC(=O)O)c1cccs1 963089869 RFQXJVOGTSMNCI-LJQANCHMSA-N 373.478 2.212 0 1 FEAF CN(Cc1ccccn1)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O 15070357 AORQVVJWBLDDHW-FQEVSTJZSA-N 357.429 2.206 0 1 FEAF CCCn1c(NC(=O)c2ccccn2)nc2cc(C(N)=O)cc(OC)c21 1857543246 PZYIDZYZMAFGSF-UHFFFAOYSA-N 353.382 2.201 0 1 FEAF COc1ccccc1N1CCN(C[C@@H](O)C2=COc3ccccc3O2)CC1 28098166 AWECPZGBACZYQW-QGZVFWFLSA-N 368.433 2.491 0 1 FEAF Clc1ccc(CN(CCn2cncn2)CCn2cncn2)cc1Cl 64516214 USWXNPDXNYWWCA-UHFFFAOYSA-N 366.256 2.379 0 1 FEAF CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)N2CCN(C)CC2)O3)c1 61907560 RHMOAHPNMQGIPN-IBGZPJMESA-N 365.433 2.029 0 3 FEAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)OC)(C(=O)OC)CC2=O 34404788 SKMMYCPHDOTVQZ-GOSISDBHSA-N 350.367 2.175 0 1 FEAF CCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N(CCOC)CCOC 49734091 HSSNEMFEVTZWNO-HNNXBMFYSA-N 369.458 2.373 0 1 FEAF CC[C@@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 82207902 CGMDDICJGCXNJG-OAHLLOKOSA-N 357.458 2.115 0 1 FEAF COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@]43O 238737691 KNYQYTPZSISGOC-FZHKGVQDSA-N 354.450 2.250 0 1 FEAF C/C=C1/CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 238732490 UZSZSSQLCSRDPY-PRYIAQJOSA-N 356.466 2.386 0 1 FEAF CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](C)[C@@H](CN(C)C)O2 95660933 WBJUOJVUYWEJEO-SUMWQHHRSA-N 362.474 2.247 0 1 FEAF c1cc2c(c(OC3CCOCC3)n1)C(c1cnn([C@@H]3CCOC3)c1)=NC2 96175996 QAXBGATUCOSRDM-OAHLLOKOSA-N 354.410 2.148 0 1 FEAF CCCC(=O)O[C@@H]1C[C@@]23OC(=O)C[C@@]2(C[C@@]2(O)OC[C@]3(C)[C@@H]2C)[C@@H]1C 95909920 BPFIEMBUQXGEAE-HJOAJOGCSA-N 352.427 2.175 0 1 FEAF biogenic,in-vitro c1cc2cc(c1)C[n+]1ccc(cc1)NCCOCCNc1cc[n+](cc1)C2 299828015 QJFBMZBEYWRRHK-UHFFFAOYSA-P 362.477 2.212 0 1 FEAF O=C(C[C@@H]1COC[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]12)N1CCCCO1 299842472 GTMBNFSLMCNABJ-AOIWGVFYSA-N 362.445 2.464 0 1 FEAF CCCc1c(O)ccc2c1OC(CC(=O)OC)(CC(=O)OC)CC2=O 587483385 WREUXQKAZDJHBR-UHFFFAOYSA-N 350.367 2.175 0 1 FEAF O=C(NCc1nc2c(S)nc(S)nc2[nH]1)c1cc2c(s1)CCC2 587034828 MBOJMBNZXONNNU-UHFFFAOYSA-N 363.493 2.411 0 1 FEAF O=C(NCc1nc2c(O)nc(S)nc2[nH]1)c1cccc(C(F)(F)F)c1 587111124 JDCPPFIDEJVNQQ-UHFFFAOYSA-N 369.328 2.296 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cnn(C)c2)N1 587761302 AIQAOJTYAZIPSG-GLEZIHRCSA-N 368.206 2.184 0 1 FEAF CC1=C[C@@]2(C(=C(C)C)CC1)c1[nH]cnc1C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 963220119 LLCXDICLRUZXGN-XGHQBKJUSA-N 366.465 2.439 0 1 FEAF CN(C)C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)CN(O)C=O)C(C)(C)C 13537003 SKJYHVWCYXUBFQ-HZPDHXFCSA-N 369.506 2.040 0 1 FEAF COCCNCc1ccc(OC[C@@H](O)CN2CCCCCC2)c(OC)c1 15071600 MBQITTNPXHINRJ-SFHVURJKSA-N 366.502 2.047 0 1 FEAF CC(C)[C@H](NC(=O)OC(C)(C)C)c1cc(C(=O)NCCO)c(N)s1 169303886 XRXUFFKFFZFPHM-LBPRGKRZSA-N 357.476 2.274 0 3 FEAF O=C(NCCCCO)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166271595 FWTRAKZCXKGTCA-UHFFFAOYSA-N 354.410 2.132 0 1 FEAF COc1cc(NS(C)(=O)=O)c(OC)cc1NC(=O)c1cccc(F)c1 1324390 FYWMAUDOUHYIDZ-UHFFFAOYSA-N 368.386 2.467 0 3 FEAF OC[C@@H]1[C@H](O)C[C@@H](NCC2CCCCC2)[C@@H]1Cc1ccnc(C2CC2)n1 2356359867 UMEQMMQEFRXSEK-IYWMVGAKSA-N 359.514 2.424 0 1 FEAF Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2cccnc2)no1 110835176 VKXHBLMZMJLFNL-LSDHHAIUSA-N 351.318 2.127 0 1 FEAF Cc1cc(C(=O)N2CC[C@@]2(C)C(=O)Nc2cc(C(C)(C)C)nn2C)nn1C 61904393 QTAGYXNHUJYKHN-IBGZPJMESA-N 372.473 2.003 0 3 FEAF CN1C(=O)C[C@@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C1N 68247475 PNANZSBGXNGJED-SFHVURJKSA-N 371.828 2.379 0 1 FEAF Cc1cnc(N)nc1-c1c[nH]c(C(=O)NCc2ccc3c(c2)OCO3)c1 87612955 OGHNMGRNHBOWTL-UHFFFAOYSA-N 351.366 2.021 0 1 FEAF Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1NCCc1cccc(F)c1 82203796 BSKCZBQMRLORNL-OAHLLOKOSA-N 357.433 2.280 0 1 FEAF CCCOC(=O)c1ccc(OCCCCCn2ccc(=O)[nH]c2=O)cc1 96906995 MOTNMXMIPMBHDB-UHFFFAOYSA-N 360.410 2.353 0 1 FEAF CCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1c(-c3ccco3)ccc(=O)n1C2 25427158 KLNRNEPYMXDCFO-KGLIPLIRSA-N 362.451 2.267 0 1 FEAF biogenic COc1ccc(/C=C(\C(N)=O)c2cc(OC)c(OC)c(OC)c2)cc1O 377846059 NDAKKEKFVZYOBV-QPEQYQDCSA-N 359.378 2.453 0 1 FEAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCSCC1)c1ccccc1 43527247 XZSBEWDFTRKEFZ-CEXWTWQISA-N 359.539 2.176 0 1 FEAF biogenic CCOC(=O)c1ncc(O)c2c1C(=O)N(CCc1ccc(C)cc1)C2=O 473132682 UAYOFCRAWVCOSH-UHFFFAOYSA-N 354.362 2.111 0 1 FEAF CCCCNS(=O)(=O)c1ccc2nc(Cc3ccc(N)nc3)[nH]c2c1 587254886 SBKLVWGGJMWNEZ-UHFFFAOYSA-N 359.455 2.209 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCN(C)CC3)s1)O2 587413815 PGCWPSWJTLWRAT-OAHLLOKOSA-N 358.467 2.492 0 1 FEAF O[C@@H](COc1ccc(CN2CCSCC2)cc1)CN1CCCCC1 12385767 ZAIWAMDABDKYPY-GOSISDBHSA-N 350.528 2.461 0 3 FEAF O=C(c1cc(=O)c2c(O)cccc2o1)N1CCN(Cc2ccccc2)CC1 13558839 AQDGMSIHOULMTN-UHFFFAOYSA-N 364.401 2.457 0 1 FEAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C[S@](=O)CC(=O)N(C)C)C1 13584879 MHTHGYXELORNEW-GTAYFMOCSA-N 356.919 2.212 0 1 FEAF Cc1cc(C)n(C[C@@H](C)Nc2nc3nonc3nc2N2CCCCC2)n1 13595821 GUZQGHDTUSXVKX-GFCCVEGCSA-N 356.434 2.317 0 3 FEAF Cc1cc(C(=O)NCCF)c2ncn(Cc3ncnc(N(C)C)c3C)c2c1 1857578769 ZZEHWZFHIGFMIC-UHFFFAOYSA-N 370.432 2.257 0 1 FEAF CNc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)ccc1=O 3807484 KAKXRVVBBNLNRY-KRWDZBQOSA-N 367.405 2.217 0 1 FEAF COC(=O)N[C@@H](c1ccccc1)[C@@]1(C(=O)OC)C(=O)Cc2ccccc21 8689928 OTDVNARADACAMG-PXNSSMCTSA-N 353.374 2.320 0 1 FEAF C1=CC(c2noc([C@H]3CCCN3C3CCC3)n2)=C[C](N2CCOCC2)N1 2356861048 GYHKBJRKANQRSH-MRXNPFEDSA-N 356.450 2.081 0 1 FEAF O=C(O)CN(c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1)C1CC1 64549280 AQOPZPARBCPUJW-SNVBAGLBSA-N 351.794 2.232 0 1 FEAF Cc1c(N2C[C@H]3C[C@@]3(CN)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12 1911572874 YXPLJQOMUASLEV-ZUOKHONESA-N 356.445 2.028 0 1 FEAF NC(=O)c1ccc(N[C@@H]2CCNC[C@H]2c2ccc(F)cc2)c2cncnc12 143684598 SCWYHQWISDGCJM-MAUKXSAKSA-N 365.412 2.425 0 1 FEAF COC(=O)C1=C[C@@H]2[C@@H](CN3CCc4c([nH]c5ccccc45)[C@@H]3[C@H]2O)[C@@H](C)O1 238784934 KHMWMNSPWIVDFD-KVJBCSSGSA-N 368.433 2.150 0 1 FEAF O=C(c1cccc(F)c1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 299843916 ZRCBWYRJJNSQKQ-RTBURBONSA-N 355.413 2.336 0 1 FEAF CCOCCOCc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 587779269 XFAHVMPLNZENMV-UHFFFAOYSA-N 355.460 2.147 0 1 FEAF COc1ccc2c(C)c(CCc3nc4c[nH]c(=N)[nH]c-4n3)c(=O)oc2c1C 586918913 SSZIDUPUYLPQJU-UHFFFAOYSA-N 365.393 2.234 0 1 FEAF O=[S@@](CCNC[C@H](O)COc1ccccc1)c1ccc(Cl)cc1 169345717 HTMNZNNFZCIVGO-WNSKOXEYSA-N 353.871 2.477 0 1 FEAF COc1ccc([C@H]2[C@H](C(C)=O)C(=O)C(=O)N2c2nccs2)cc1OC 169688101 AOBWYIJNNZTAQF-KBPBESRZSA-N 360.391 2.023 0 1 FEAF C[C@@H](NC(=O)Cc1ccccc1)NC(=O)[C@H](C)C(=O)Nc1ccccc1 1857276 NWUCXYJTNFIILW-GJZGRUSLSA-N 353.422 2.082 0 1 FEAF Nc1nc(Nc2cc(Cl)cc(Cl)c2)nc2c1ncn2COCCO 3590254 GVLBCXOLVYKVJV-UHFFFAOYSA-N 369.212 2.425 0 1 FEAF COc1cc(O)c2c(c1)[C@@]13CCN4CC[C@@H](C[C@@H]1N2C(C)=O)C1=CCO[C@]143 2356423393 XORSOONLULVOCT-GBPQLKSLSA-N 368.433 2.156 0 1 FEAF c1ccc([C@@H]2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1 28883625 XEZZJFIWRQIMPS-IBGZPJMESA-N 353.466 2.418 0 1 FEAF CCOC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@@]2(CCN3C)CC1=O 101379773 WUGZFHIGKDHJFG-CNTRQJEFSA-N 357.450 2.352 0 1 FEAF O=C1CC[C@@]23Oc4ccc(O)c5c4[C@@](Oc4cccc1c42)(O3)[C@H](O)CC5=O 2356483436 KNTWJKOMBDNCPG-XPGWFJOJSA-N 366.325 2.123 0 1 FEAF CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(CCO)C2=O)CC1 64528385 JGXWDNPDGKMFIY-UHFFFAOYSA-N 371.481 2.341 0 1 FEAF CCCc1nn(C)c2c(Nc3ccc(C)cn3)nc(N3CCNCC3)nc12 72284423 XEETWKYVVQVUPU-UHFFFAOYSA-N 366.473 2.172 0 1 FEAF CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1C[C@H]2CC[C@@H]1C2 72315831 IQHKHGHDPGFXAV-WDMOLILDSA-N 359.455 2.323 0 1 FEAF CC1=C2C[C@H](O)C=C3C(=O)OC[C@]32C=CC2=C1[C@@H](c1ccoc1)OC2=O 14690010 OHRYPZSDRFBQMN-TUIFFPIZSA-N 352.342 2.295 0 1 FEAF biogenic CC[C@H]1Cn2c(c(NCc3cccc(OC)c3)c(=O)n(C(C)C)c2=O)N1 82207551 GAWHVCGCOURKGB-AWEZNQCLSA-N 358.442 2.416 0 1 FEAF O=c1[nH]c2ncc(-c3ccc4[nH]cnc4c3)nc2n1CC1CCOCC1 82152530 MOFWYHHARZYBAL-UHFFFAOYSA-N 350.382 2.090 0 1 FEAF O=C(Nc1ccncn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 40379251 GELGBGXOTGHLQA-UHFFFAOYSA-N 367.438 2.349 0 1 FEAF O=C(NCCO)c1nccnc1Oc1ccc(Nc2ccccn2)cc1 148129342 QATOLQPRBYHATE-UHFFFAOYSA-N 351.366 2.130 0 1 FEAF CCOc1cc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ncn1 142357972 RAKIECNNQGQSCO-ZDUSSCGKSA-N 356.426 2.340 0 1 FEAF CC[C@@](C)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(N)=O 146136300 FGXBBRWUQGILCI-OAHLLOKOSA-N 359.348 2.284 0 1 FEAF COC(=O)[C@H](C)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 261161603 QYNAQLREJTWFFI-JTQLQIEISA-N 354.370 2.011 0 1 FEAF N=C(N)NCCC[C@H]1NCCc2c1[nH]c1cc(Br)ccc21 72180700 FDYSADFFUCUKDQ-GFCCVEGCSA-N 350.264 2.380 0 1 FEAF biogenic COC1=CC2=C(O)C(=O)N3c4ccccc4C(=O)N4CCC[C@H]4[C@H]3N2C=C1 85647004 FTKBEAYOJYGZKC-YJBOKZPZSA-N 365.389 2.107 0 1 FEAF biogenic COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)NC(C)C 587867533 IKYQHIPDKAYKLU-UHFFFAOYSA-N 356.304 2.137 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1 587566212 ASCMPYBPYFHJAB-UHFFFAOYSA-N 373.434 2.247 0 1 FEAF O=C(O)Cn1c(C(F)(F)F)nc2ccc(Br)cc2c1=O 13649913 KVGJBPOIBCISRF-UHFFFAOYSA-N 351.078 2.262 0 1 FEAF NC(=O)c1cnc(N[C@H]2CNCC[C@@H]2O)c2cc(-c3ccccc3)sc12 169117442 ZZJBCGMTQHRATH-GJZGRUSLSA-N 368.462 2.197 0 1 FEAF COc1cccc2c1[C@@H](c1ccccc1)N(C(=O)CNC[C@@H](C)O)CC2 201369299 VGGHHCZNCHDRRO-QVKFZJNVSA-N 354.450 2.140 0 1 FEAF CN1C(=O)[C@H]2C[C@@H](CN2Cc2ccc3c(c2)OCO3)Oc2ccccc21 2356298828 DYWOPQFWZLMJLB-GOEBONIOSA-N 352.390 2.414 0 1 FEAF O=C1CC(c2ccc(Br)s2)=NC[C@]2(CN3CCC2CC3)N1 101450972 PPXIWRXFOATFAB-OAHLLOKOSA-N 368.300 2.284 0 1 FEAF COc1cccc(CN2CC[C@]2(C)C(=O)NCCc2ccccn2)c1OC 61929104 VVRSURMJVNFJLZ-OAQYLSRUSA-N 369.465 2.422 0 3 FEAF CCC(=O)NC1CCN(CCCN2C(=O)CCc3ccc(F)cc32)CC1 64573967 WPCKTNFWQWAXOM-UHFFFAOYSA-N 361.461 2.486 0 1 FEAF C[C@H](O)[C@@H]1C[C@H](O)[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]21C 2356668069 CCDBNJFEAVSCGU-ZMRSUKRKSA-N 350.499 2.249 0 1 FEAF O=C(O)c1cc(=O)c2ccc(OC[C@H](O)COc3ccccc3)cc2o1 39213232 ZOTHFQLTWSVFQM-GFCCVEGCSA-N 356.330 2.310 0 1 FEAF C/C=C/c1ccccc1-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1 40951988 ZFDXLXCITNGWSM-GIAUIIQISA-N 368.389 2.330 0 1 FEAF Cc1c2c(nn1C)C(=O)N(c1ccc(=O)n(C)n1)[C@@H]2c1ccc(Cl)cc1 220381513 FRNOWHXMMCGFDO-QGZVFWFLSA-N 369.812 2.225 0 1 FEAF C[C@H](NC(=O)[C@@H]1COC(=O)[C@H](Cc2ccc(F)cc2)N1)c1ccccc1 40764170 XZWIODIVZSHQOA-KKXDTOCCSA-N 356.397 2.129 0 1 FEAF COc1ccc([C@@H]2Oc3cc(O)c(OC)c(O)c3C(=O)[C@@H]2OC)cc1O 238772264 CCWSQXBMKLEALQ-WMZOPIPTSA-N 362.334 2.152 0 1 FEAF CCc1cn(C2=NCC(=O)N3CCc4c(cccc4[C@H](C)O)C3=C2)cn1 149079792 IDPMBLOTVIUKIN-ZDUSSCGKSA-N 350.422 2.185 0 1 FEAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1[C@H](O)[C@H](O)[C@]13C[C@@H](CO)[C@H](CC[C@@H]21)C3 238745378 FQXFNQBHZJYODR-YZNPKDRQSA-N 352.471 2.034 0 1 FEAF O=c1cc(N2CCNCC2)nc2n(CCc3ccccc3)c3ccccc3n12 95590094 XZIHGWXXANQOCA-UHFFFAOYSA-N 373.460 2.302 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@@H]32)N1 587799795 YRTJZWNKUMAAGA-DNJJXSTHSA-N 369.234 2.010 0 1 FEAF Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cnsn3)C2)o1 15077108 JKYOQCOBGMZIJU-ZDUSSCGKSA-N 362.455 2.388 0 1 FEAF COC(=O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CCCCC2)no1 15673448 TUFSTARUXYLCBQ-KBPBESRZSA-N 363.458 2.068 0 1 FEAF biogenic C=c1[nH]n(C(=O)c2ccc(Cl)cc2)c(=O)/c1=C/c1ccc(Cl)cc1 169715649 DCXPRDPULJNGOY-MHWRWJLKSA-N 359.212 2.411 0 1 FEAF O=c1n(CCCCNC[C@H]2CCc3ccccc3O2)c(O)c2n1CCCC2 169725348 TUCNIAHIRFQJSH-QGZVFWFLSA-N 371.481 2.455 0 1 FEAF CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H]1COCC1=O 590299 IOQKOISMPDGVFY-UONOGXRCSA-N 374.462 2.130 0 1 FEAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1C1=CC=CN(C(=O)OC)C1 100050467 VUCSVNWHYPMBBO-WTNDLDAUSA-N 362.382 2.462 0 1 FEAF N[C@@H]1NC=Nc2c(CN3C[C@@H](O)[C@@H](CSC4CCCCC4)C3)c[nH]c21 28467587 LZLVASUZAHQVLG-DDUZABMNSA-N 363.531 2.094 0 1 FEAF O=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2c(c1=O)[C@@H](O)CCC2 49113229 JJVKFVPYAQXWKW-KRWDZBQOSA-N 365.389 2.150 0 1 FEAF C/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC(OC)=CC(=O)O1 238781208 ZSCSHJBZNPXUQJ-IWAJEVJPSA-N 368.470 2.100 0 1 FEAF CCCCCN[C@@]12C=CC(=O)[C@H]3Oc4c(O)ccc5c4[C@]31CCN(C)[C@H]2C5 22851785 NRPCWSUJMWEFOK-ZHNGQKSSSA-N 368.477 2.309 0 1 FEAF biogenic C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@@]2(O)C1 238732776 VYDPZFPZVFZUFI-AQELWVTBSA-N 364.438 2.387 0 1 FEAF CN(C)CCOc1ccc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2c1 587250501 VQJXMOUPKLEARY-UHFFFAOYSA-N 354.410 2.380 0 1 FEAF CCS(=O)(=O)c1ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 587092506 QEHUVAYUBQTQBK-QMMMGPOBSA-N 363.361 2.486 0 1 FEAF NC(=O)c1ccc(Oc2sc(C(N)=O)c3c2-c2sncc2CC3)cn1 1772620799 FWXRRJODQJLGKY-UHFFFAOYSA-N 372.431 2.355 0 1 FEAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CN[C@H](CO)C2 13607008 YTBGBMPLINFTBQ-HNNXBMFYSA-N 352.843 2.147 0 1 FEAF O=C(NC1CCCC1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 2952236 VQWSQGNOVJJCEQ-UHFFFAOYSA-N 363.417 2.411 0 1 FEAF COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 103578948 ZTHVHELPCLGXHF-HGQCBAMNSA-N 364.445 2.101 0 1 FEAF biogenic,in-vitro CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Sc1nnnn1C 27869671 UEEKZLINIRLQBC-CQSZACIVSA-N 374.470 2.187 0 1 FEAF CC1=NNC(=O)[C@H]1C(c1ccc(Cl)cc1Cl)[C@@H]1C(=O)NN=C1C 101958668 ILZDKBKYGIHZCG-VXGBXAGGSA-N 353.209 2.321 0 1 FEAF CCCCCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](C(=O)N4C)[C@H]3C2=O)cc1 106600599 RSXRKAGCCDDONS-WNRNVDISSA-N 368.433 2.388 0 1 FEAF CC(C)NC[C@H](O)COc1ccc(OCCn2nc3ccccc3n2)cc1 27557359 PDPUHUGFZQMBJT-INIZCTEOSA-N 370.453 2.248 0 1 FEAF CC(C)[C@]1(O)CC[C@@H]2C(=C[C@H](O)[C@H]3[C@@]2(C)CCC[C@@]3(C)C(=O)O)[C@@H]1O 2356521962 SECUAKPOJHKDJF-LLCOKINKSA-N 352.471 2.343 0 1 FEAF COc1cc(C[C@@H]2C(=O)CO[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O 2356687480 RNXYRAQIZQGUIK-RDTXWAMCSA-N 358.390 2.484 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C 2356692448 WKMBTXJFBQEZHO-MAUOSDCHSA-N 362.422 2.452 0 1 FEAF C[C@H](CO)c1cc(C=O)c2c(c1O)OC(=O)[C@]21CCCC(C)(C)[C@@H]1C=O 14688346 XMQJZJZLYCPQEM-FYYVMTAXSA-N 360.406 2.483 0 1 FEAF biogenic CC[C@@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)O 26771621 STNXFILTVQCXMN-BMLIUANNSA-N 361.394 2.355 0 1 FEAF biogenic CC[C@@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)N[C@H](CO)CC(C)C 36368062 DHLMLMAXOBXOJG-IKGGRYGDSA-N 355.523 2.366 0 1 FEAF biogenic O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ncc[nH]c-2n1 586952703 GDTCBEGHNGLMIB-UHFFFAOYSA-N 358.408 2.229 0 1 FEAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cncnc2[nH]1 586935880 JMIFUGBVDBEWKU-GFCCVEGCSA-N 363.468 2.126 0 1 FEAF COC(=O)[C@@H]1C[C@@]2(CCN1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587592816 HISUELYHRYQZHH-ZSOFBXJNSA-N 369.373 2.018 0 1 FEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc3c(cc2[nH]1)OCO3 586951600 QPSARZZJPINAPO-UHFFFAOYSA-N 352.397 2.095 0 1 FEAF COc1ccc(C=O)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)c1OC 587789999 BDJDIHPQGQLDFY-UHFFFAOYSA-N 353.334 2.391 0 1 FEAF Cc1c(O)ccc2c1[C@@]1(CCOCC[C@@H]1C(F)(F)F)N[C@H](C(=O)O)C2 963548416 FPYVRBMSKDPMRM-RBOXIYTFSA-N 359.344 2.484 0 1 FEAF CN(C)C(=O)[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963192014 XUFYGBCGYQLTFX-XPTSAGLGSA-N 364.751 2.261 0 1 FEAF O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1C[C@@H]1CCCO1 15072139 HFURPYIFYXOKKC-WMZOPIPTSA-N 350.434 2.354 0 1 FEAF COc1ccc([C@@H]2CCN[C@H]3[C@@H]2C(=O)NC(=O)N3Cc2ccco2)cc1 208263007 ORRKKGFYMWJWSW-GVDBMIGSSA-N 355.394 2.059 0 1 FEAF COc1ccc(C[C@@H](O)/C=C/C=C/C(=O)N2CCSCC2)cc1OC 1857631176 KLRDBVMXDYOJGZ-ZBBXFQFBSA-N 363.479 2.295 0 1 FEAF CCOc1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O 4119084 VVKZUZWKTSSYRH-KRWDZBQOSA-N 374.462 2.410 0 3 FEAF CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccccc1C(=O)OC 28637495 MINVEOHGGRGCFT-OAHLLOKOSA-N 367.423 2.257 0 1 FEAF CCNC(=O)N1C[C@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 2356302329 RRLSGNWFRQYHBZ-WBVHZDCISA-N 366.421 2.180 0 1 FEAF COc1ccc2nc(C[C@@H]3CN(C(=O)C4CC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305777 FFMDPHBSOGMMHO-ZIAGYGMSSA-N 371.437 2.463 0 1 FEAF COc1cc(C[C@@H]2CO[C@@H](O)[C@H]2Cc2ccc(O)c(OC)c2)ccc1O 104896423 AQTZWMJGAOIWFV-QEEYODRMSA-N 360.406 2.481 0 1 FEAF O=C(O)C1CCN(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 103230781 OEWCZAAEUWWZGK-UHFFFAOYSA-N 351.834 2.379 0 1 FEAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)C(=O)CC[C@](C)([C@H]23)[C@@]1(O)CC[C@H]1C=COC1=O 2356734270 AFZLENSRRTZYFM-ZNBIGWPYSA-N 362.422 2.141 0 1 FEAF CCOP(=O)(OCC)[C@@H]1C[C@H](n2cc(-c3nccn3C)nn2)ON1C 73197992 RGGWZYSMFODXPQ-CHWSQXEVSA-N 370.350 2.037 0 1 FEAF C/C=C1\CN2CC[C@@]34c5ccccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25 73329493 HAGBWVNSVWLTKY-BYNNPYNYSA-N 366.461 2.314 0 1 FEAF COc1c(S(=O)(=O)N(C)Cc2ccccc2)ccc2c1CCNCC2 40951685 UBQWECKSTQXVTO-UHFFFAOYSA-N 360.479 2.204 0 1 FEAF c1ncc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)cn1 225555660 PKRVGPDWHXSDEE-UHFFFAOYSA-N 359.393 2.314 0 1 FEAF COCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205823 XRUHDHUYMWMWME-ZIAGYGMSSA-N 364.490 2.414 0 1 FEAF O=C(NC1CCOCC1)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 12584673 YAYLPSGUQOCKGV-CQSZACIVSA-N 350.846 2.374 0 3 FEAF CN(c1nc(-c2ccc(C(=N)N)cc2)cs1)C1CCN(CC(=O)O)CC1 13765833 JGPZBOIJLFDACY-UHFFFAOYSA-N 373.482 2.079 0 1 FEAF CC(=O)Nc1ccc(OC[C@H](O)CNC(=N)C(Cl)(Cl)Cl)cc1 169323812 QDEKAWYLUWFNOT-SNVBAGLBSA-N 368.648 2.322 0 1 FEAF CC(C)(CN1CCOCC1)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857550021 OORANHYPSLCFDJ-UHFFFAOYSA-N 364.453 2.031 0 1 FEAF Cc1cc(O)nc(-c2cnn(CCC(=O)N3CCc4ccccc4C3)c2)n1 1857593387 ISAGEAHODPESHG-UHFFFAOYSA-N 363.421 2.329 0 1 FEAF CCOC(=O)n1c2ccccc2c2c(O)c(OC)c3c(c21)C(=O)NC3=O 1654590 DXBICQVGDKQDDS-UHFFFAOYSA-N 354.318 2.397 0 1 FEAF COC(=O)C=C1OC(=O)c2c1ccc1c(CCN(C)C)cc(OC)c(O)c21 2356411630 VAPWHRQXZJKUHO-UHFFFAOYSA-N 371.389 2.342 0 1 FEAF COc1cc(OC)c(S(=O)(=O)Nc2ccc(C)cn2)cc1NC(C)=O 4239969 AYODEPXYFQQAQQ-UHFFFAOYSA-N 365.411 2.166 0 3 FEAF N#Cc1cccc(CN[C@@H]2CO[C@@H]3[C@@H](OCc4ccccc4)CO[C@H]32)c1 25237159 OXMBUOXXJAXFDJ-IVAOSVALSA-N 350.418 2.399 0 1 FEAF biogenic O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@H]2CCNC[C@H]12 28523441 YUXOQHWVQKFINS-OALUTQOASA-N 352.482 2.062 0 1 FEAF COc1cc(C=CCO)cc2c1O[C@@H](c1ccc(O)c(CO)c1)[C@@H]2CO 2356539658 VRNSHBSCENBOKC-APWZRJJASA-N 358.390 2.108 0 1 FEAF CC(C)=CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2C(=O)CC[C@@H](C)[C@]21C 2356761853 HZNWMULTMKCKLR-CSXFYJJXSA-N 362.422 2.452 0 1 FEAF CC(=O)N1CCC(NC(=O)NC23CC4C[C@](F)(C2)C[C@@](F)(C4)C3)CC1 66076128 LRLXBDNGOOHPQK-DWLODGJJSA-N 355.429 2.450 0 1 FEAF CC1=C(CCC2=C[C@H](O)OC2=O)[C@]2(C)CCC[C@]3(C)C(=O)O[C@H](C1=O)[C@@H]32 85891396 ODXDQNDOZZLJEE-ORNVVXIYSA-N 360.406 2.206 0 1 FEAF biogenic CCOc1ccc(-c2nn(C(=O)CO)c(=O)c3ccccc23)cc1OCC 587671785 RQPGLTHPRPRKIK-UHFFFAOYSA-N 368.389 2.493 0 1 FEAF COC(=O)[C@@]1(c2c[nH]c3ncccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442868 ZGNIBFORXLUSCY-ZUOKHONESA-N 364.357 2.387 0 1 FEAF CC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3cnc[nH]3)c2)cs1 1187762111 JGDAKEQCHIHXQU-UHFFFAOYSA-N 363.424 2.292 0 1 FEAF COc1cc(C(=O)N[C@H](CO)Cc2ccccc2)ccc1-c1cn[nH]c1 1772623074 WTLKHNCRMWMEPP-KRWDZBQOSA-N 351.406 2.419 0 1 FEAF O=C1C=C([C@H]2CC(=O)[C@@H](O)c3cccc(O)c32)C(=O)c2c(O)cccc21 13480450 DPGMBELUGAWLHC-WYRIXSBYSA-N 350.326 2.193 0 1 FEAF biogenic O=C1[C@@H]2CO[C@@]1(c1ccc3c(c1)OCO3)CO[C@@H]2c1ccc2c(c1)OCO2 15262113 NNFGXXXVGRYOSF-CFSSXQINSA-N 368.341 2.326 0 1 FEAF O=c1n(CCCCNCc2ccc3ccccc3n2)c(O)c2n1CCC2 169725353 DSMQQQLBFHYIQT-UHFFFAOYSA-N 352.438 2.420 0 1 FEAF COCCn1cc(-c2cnc(N)c(C(=O)Nc3ccncc3Cl)c2)cn1 205502674 IGJNKGGEJHEBLW-UHFFFAOYSA-N 372.816 2.474 0 1 FEAF COc1ccc(CN2C[C@@H]3C[C@H](C(=O)Nc4cccnc4)[C@H](C2)O3)cc1 1857586964 VOTBOYYEHXFIFG-FHWLQOOXSA-N 353.422 2.318 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@H](NCC2CCCCC2)C[C@H]1O 2356359869 UMEQMMQEFRXSEK-VNTMZGSJSA-N 359.514 2.424 0 1 FEAF C[C@@]12NC(=O)[C@@H](C[C@@]13C=Nc1ccccc13)n1c2nc2ccccc2c1=O 2356463992 UGJOAVUFFONAPW-CZAAIQMYSA-N 356.385 2.340 0 1 FEAF C[C@@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@@H](N)C4)cc3n21 63539368 SHNZBTHVGXHLLD-RKDXNWHRSA-N 363.414 2.043 0 1 FEAF CC(=O)c1ccccc1OC[C@H](O)CNCCNC(=O)Nc1ccccc1 28262818 ORDMORLFSAVCCX-QGZVFWFLSA-N 371.437 2.040 0 1 FEAF CO[C@@]12CC[C@]3(CO1)[C@@H]1[C@H](C[C@H]4[C@@H](OC(C)=O)CCC[C@H]43)OC(=O)[C@]12C 2356587330 HXIZZPINGVXRRQ-HPRBHFMPSA-N 364.438 2.439 0 1 FEAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)C(=O)CC[C@](C)([C@H]23)[C@]1(O)CC[C@H]1C=COC1=O 2356734268 AFZLENSRRTZYFM-MBLPLMDASA-N 362.422 2.141 0 1 FEAF O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@H](NCc3ccccc3)CO[C@@H]12 2356820308 FJJIPCHZPGCRMJ-MKXGPGLRSA-N 360.454 2.370 0 1 FEAF CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2cccc(CN)c2)cc1)C(=O)O 73139338 BKXFMZRHOVWRTG-QGZVFWFLSA-N 362.451 2.200 0 1 FEAF COc1cc([C@@H]2Oc3cc4ccc(=O)oc4cc3O[C@H]2CO)ccc1O 535384803 YMXPBFBMXWPRNM-HKUYNNGSSA-N 356.330 2.381 0 1 FEAF biogenic,in-vitro O=C1c2cc3c(cc2OCN1CCc1ccncc1)C(=O)N1CCC[C@@H]1O3 72170886 DDTASBZECGUTCI-SFHVURJKSA-N 365.389 2.071 0 1 FEAF Cc1ccccc1-c1nc(C(=O)NCC(=O)OC[C@@H]2CCCN2C)co1 82072304 WYMCAVDAAWFJAX-AWEZNQCLSA-N 357.410 2.017 0 1 FEAF CC(C)[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCN 82082452 IFXVEMSXJWHSET-CQSZACIVSA-N 362.455 2.143 0 1 FEAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)OCCN(C)C)co1 82073452 FNEJHZQLOCXMII-KRWDZBQOSA-N 371.437 2.359 0 1 FEAF CC(C)N1[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CCS1(=O)=O 95566123 PUQFZVBGZBBOCR-ZDUSSCGKSA-N 365.282 2.422 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2ccc(Br)cc2F)CC1 618020286 YXUCVJMOSFDQHX-UHFFFAOYSA-N 363.252 2.179 0 1 FEAF Cc1[nH]c2cccc(F)c2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O 587636764 HTRVGNCLSLMNLG-IAGOWNOFSA-N 371.416 2.110 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c(=O)cn2)N1 587774185 SZZJQZYBLYJNAS-AYVTZFPOSA-N 352.207 2.469 0 1 FEAF O=C([C@@H]1CCc2nnc(C3CC3)n2C1)n1ncc2ccc(Cl)cc2c1=O 587653595 BVRJYQJLGNVHEI-GFCCVEGCSA-N 369.812 2.422 0 1 FEAF O=C(CF)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 1857581422 QRHGYABXBVODEX-GOSISDBHSA-N 372.396 2.179 0 1 FEAF COc1cc([C@@H]2Oc3cc(C=CCO)ccc3O[C@H]2C(=O)O)ccc1O 2356394910 IWZNJWBNFYXWGT-ZWKOTPCHSA-N 358.346 2.372 0 1 FEAF O=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1F 4569525 ABOOMHCZZLXFSO-LBPRGKRZSA-N 368.455 2.470 0 3 FEAF Cc1nn([C@H](C)C(=O)NCCN(C)C)c(=O)c2c1sc1ccccc12 6799079 JRGHXMAGFSQWNA-GFCCVEGCSA-N 358.467 2.158 0 1 FEAF CN(C)C(=S)SC[C@](O)(Cn1cncn1)c1ccc(F)cc1F 103264697 MGVWICXISGDHBT-CQSZACIVSA-N 358.439 2.024 0 1 FEAF COc1cc(C[C@H]2COC[C@]2(O)Cc2ccc(O)c(OC)c2)ccc1O 2356557744 ZYPCXCQCIVYBNM-MGPUTAFESA-N 360.406 2.278 0 1 FEAF Cc1cccc(OCC2(CNCc3ccc(F)cc3)C[C@@H](O)[C@H](O)C2)n1 2356730923 QATHUZXZDXKAMM-QZTJIDSGSA-N 360.429 2.200 0 1 FEAF Cn1nc([C@@H]2CCNC2)c2c(C(=O)NCC(F)(F)F)cc(C3CC3)nc21 71995171 LVSZTEVWCPKUBP-SNVBAGLBSA-N 367.375 2.215 0 1 FEAF COc1ccc([C@@H]2Oc3c(ccc(OC)c3OC)[C@H](O)[C@@H]2O)cc1OC 14436098 VDDYRAREFDERAS-ULQDDVLXSA-N 362.378 2.249 0 1 FEAF biogenic O=C(NCC(F)(F)F)[C@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCC1 199248758 HORYLLGTLRVYBY-ZDUSSCGKSA-N 369.343 2.071 0 3 FEAF Cc1cc(=O)n(CCCOc2ccccc2Cl)c(N2CCNCC2)n1 45253005 CBDZJEJDYIVITJ-UHFFFAOYSA-N 362.861 2.084 0 1 FEAF CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3ccccc3)n2)CC1 95584227 DBEQXNURMUQEER-UHFFFAOYSA-N 359.451 2.014 0 1 FEAF COC(=O)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594857 PMBVWLOYGUXCFU-HNAYVOBHSA-N 356.330 2.245 0 1 FEAF Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1Cl 169299400 QDSLCHJCYYXTEW-HVCVOHAOSA-N 363.797 2.328 0 1 FEAF COc1ccc([C@H]2[C@@H](C(C)=O)C(=O)C(=O)N2c2nccs2)cc1OC 169688099 AOBWYIJNNZTAQF-KGLIPLIRSA-N 360.391 2.023 0 1 FEAF C[C@H](O)CS[C@@H]1CC(=O)O[C@@H](C)CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O 253640244 JSZMATWNNJCEPE-FQHOIECUSA-N 372.527 2.279 0 1 FEAF COc1ccc(C(=O)NCC2(COc3ccccc3)C[C@H](O)[C@@H](O)C2)cc1 2356531692 IOLRVFFKMXBPBR-OALUTQOASA-N 371.433 2.006 0 1 FEAF O[C@@H]1[C@H](NCc2ccc(Cl)c(Cl)c2)[C@H]2CO[C@@H](O2)[C@H]1n1cccn1 2356776516 UMUPJBKIFWFBCD-LJIZCISZSA-N 370.236 2.005 0 1 FEAF COC[C@@H](NC(C)=O)C(=O)NCc1ccc(OCc2ccccc2)cc1 49114166 IYTQZSMAYMGGEL-LJQANCHMSA-N 356.422 2.033 0 1 FEAF O=C([C@H]1C[C@@H](Oc2cccc(F)c2)CN1)N1CCCN(C2CCC2)CC1 49089559 XAQNCLSQQYEQMI-RTBURBONSA-N 361.461 2.022 0 1 FEAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O 82220224 INOVOIWPFWKELS-CAWHJAAESA-N 366.502 2.016 0 1 FEAF CC1=NC(=S)N[C@H](c2ccc(OCC(N)=O)cc2)/C1=C(/O)OC(C)C 617978020 REIVIPNGRKUJFT-VZHUHSAUSA-N 363.439 2.135 0 1 FEAF CS(=O)(=O)c1cccc(-c2ccc3ncc(-c4ccc(N)nc4)n3n2)c1 299828065 GTOMYORCURWEDV-UHFFFAOYSA-N 365.418 2.444 0 1 FEAF CCS(=O)(=O)c1cccc(Cc2nc3cc(C(=O)OC)ncc3[nH]2)c1 586922719 YVFYBEXUVAOCQL-UHFFFAOYSA-N 359.407 2.129 0 1 FEAF CCOC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1cccc(C=O)c1 587559083 FHZFYLUDZIRUMD-UHFFFAOYSA-N 353.334 2.021 0 1 FEAF O=C1CCCN1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660167 CSMKDTFWSVNJLG-UHFFFAOYSA-N 365.364 2.465 0 1 FEAF CCOC(=O)CCN1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587434538 AJICUOHQEFNATK-OAHLLOKOSA-N 359.422 2.230 0 1 FEAF O=C(O)CCC1=COc2cc(F)ccc2[C@@]12N[C@H]1Cc3c2ccnc3C1=O 963290056 SOBMPALOMONHLL-MGPUTAFESA-N 366.348 2.316 0 1 FEAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](c2ccncc2)(c2ncc[nH]2)N1 963228090 MYGHRMAAYHNTPE-NQIIRXRSSA-N 371.400 2.244 0 1 FEAF COC(=O)C[C@@H](Nc1nc2nc(C)cc(=O)n2[nH]1)c1cccc(Cl)c1 1772619316 NTXDNSLRXYIBNE-GFCCVEGCSA-N 361.789 2.096 0 1 FEAF O=c1cnn(-c2ccc([C@@H](O)c3ccc(Cl)cc3)c(Cl)c2)c(=O)[nH]1 5117202 PDYOESYMTUGYJT-HNNXBMFYSA-N 364.188 2.309 0 1 FEAF CCOCn1c(Cc2ccc(-c3ccccc3)cc2)cc(=O)n(O)c1=O 1857649318 QKRRXSFKEFNEDG-UHFFFAOYSA-N 352.390 2.499 0 1 FEAF Cc1ccccc1Cn1cncc1C[C@H](N[C@@H](CC(C)C)C(=O)O)C(=O)O 14976343 VLZCEGDTIBOTCN-ROUUACIJSA-N 373.453 2.324 0 1 FEAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccccc2)ccc1=O 25232713 ZHKPGQZCOZHAIB-WBVHZDCISA-N 352.434 2.498 0 1 FEAF biogenic O=C(NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)C1CCC1 95894838 UIWMPEMTOGIUIE-HBMCJLEFSA-N 365.477 2.327 0 1 FEAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@H]4CO)[C@H](O)[C@H](O)[C@@H]12 100780820 FQXFNQBHZJYODR-XHSWRCIISA-N 352.471 2.034 0 1 FEAF endogenous,in-man CCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1C)C1=C(O)OCC1=N2 103644518 MVWMNQOCCVRLTP-CQSZACIVSA-N 367.405 2.283 0 1 FEAF Cc1ccc(N2CCc3ncnc(N[C@@H](CO)c4cccnc4)c3C2)nc1 114994848 DTQUOODAYMQTHN-SFHVURJKSA-N 362.437 2.283 0 1 FEAF CCC[C@@H]1Oc2ccc(-c3cncnc3)cc2[C@]2(COC(N)=N2)C12COC2 149319695 XGNRRAYBEHJJDH-FXAWDEMLSA-N 366.421 2.262 0 1 FEAF O=C(NC1CC1)c1ccc(OCc2conc2[C@H]2CC[C@H](F)CN2)nc1 169685452 GKERFUDNQOHVJH-DZGCQCFKSA-N 360.389 2.303 0 1 FEAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2cccc(F)c2)[C@@H]3C)n1 218861835 ROHADLHITYWLQW-SECBINFHSA-N 358.402 2.461 0 1 FEAF C=C1C[C@H](O)[C@@H]2[C@H](CN3CCCCCC3)C(=O)O[C@@H]2[C@@H]2[C@H](C)C(=O)C[C@H]12 299884432 TUNAZEXGIWWQBP-CTQHUPSLSA-N 361.482 2.182 0 1 FEAF COC(=O)c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)[nH]1 962971254 HINNYPWFKQEYAO-RISCZKNCSA-N 370.739 2.421 0 1 FEAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccccn2)([C@H]2CCNC2)N1 963229669 PRAKOSIPPYPKOS-DVXDUOKCSA-N 374.444 2.082 0 1 FEAF CCOc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1 1857580924 WUQAUYGOLBLGAP-UHFFFAOYSA-N 372.425 2.130 0 1 FEAF COc1ccc(OC)c(-c2nc3ccnc(N4CCN(C)CC4)c3[nH]2)c1 1857744998 LKTMEXQULRUAPA-UHFFFAOYSA-N 353.426 2.394 0 1 FEAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 769441 NWSDAMSPURXNMO-JENIJYKNSA-N 371.437 2.325 0 1 FEAF O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)Nc1cccc2ncccc12 13150608 BOLBRZWHNIBFRJ-KDGBTXRKSA-N 373.412 2.226 0 1 FEAF O=C1c2cc3ccoc3cc2O[C@@H]2COc3cc4c(cc3[C@@]12O)OCO4 15147375 HLEAVDSSZUIWQI-MJGOQNOKSA-N 352.298 2.385 0 1 FEAF endogenous,in-man C[C@H]1C(=O)O[C@]23CC[C@]4(C)C(=O)OC[C@@]45O[C@](c4ccoc4)(C[C@@H]1[C@]52C)O3 28537305 MIZCOUBLUGPQEO-PSDYFVJESA-N 374.389 2.490 0 1 FEAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@H]1CCCCNC1=O 40402090 LMFXRYLPORCMTC-ZDUSSCGKSA-N 372.450 2.304 0 1 FEAF COC(=O)c1ccccc1N1CCN(C(=O)COCc2ccccc2)CC1 66122742 AXXDRLJMHXYFJW-UHFFFAOYSA-N 368.433 2.339 0 1 FEAF CCc1ccc(OCCNCCCCN2C(=O)[C@H]3CCCN3C2=O)cc1 96933077 AXELRQFGUJCERL-GOSISDBHSA-N 359.470 2.424 0 1 FEAF O=C(CCCn1c(=S)[nH]c2ccsc2c1=O)NC[C@H]1CCCO1 102739991 DKXAIRSWZGNDAL-SNVBAGLBSA-N 353.469 2.196 0 1 FEAF O=C(NCc1ccc(F)cc1)c1[nH]c(-c2ccccc2F)nc(=O)c1O 205693932 IAEQPAJVJCMHCP-UHFFFAOYSA-N 357.316 2.351 0 1 FEAF O=C1C[C@H](N2CCN(c3ccccc3)CC2)NC(=O)N1C1CCCCC1 219872252 REZOBXNOFPPCCZ-SFHVURJKSA-N 356.470 2.409 0 1 FEAF c1cnc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)cn1 225564216 CMXCXDHQHCAJHL-UHFFFAOYSA-N 359.393 2.314 0 1 FEAF COc1cncc([C@H](NC(=O)c2cccc3nccnc23)C2CC(O)C2)c1 230510323 DDFVGEGKBCEHPG-OOKWDQIISA-N 364.405 2.275 0 1 FEAF Oc1cccc([C@@H](O)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 586894099 ZTKYUXYNLUTQRE-OAHLLOKOSA-N 363.377 2.410 0 1 FEAF N[C@@H](Cc1ccccc1Cl)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587059497 SGPJSMCACDWWLQ-NSHDSACASA-N 350.831 2.106 0 1 FEAF COc1cccc2cc3c(nc12)[C@@](CC(C)=O)(c1cnn(C)c1)NCC3 963044019 BMEDBLRYJNMWTA-HXUWFJFHSA-N 350.422 2.345 0 1 FEAF CC(=O)O[C@H](C)[C@@H]1c2c(c(O)c3c(O)cccc3c2O)C(=O)C[C@]1(C)O 2356789824 DTIDZJSRRNTFKE-RRCVCPPGSA-N 360.362 2.329 0 1 FEAF CN(C)CCNC(=O)c1cccn2c(=O)c3c4c(sc3nc12)CCCC4 4971756 BZELMTVNEWHMCA-UHFFFAOYSA-N 370.478 2.079 0 3 FEAF O=C(O)CCCC=CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C=C[C@H](O)CCCCCO 2356304670 XQXUYZDBZCLAQO-ZRSRNVLSSA-N 370.486 2.015 0 1 FEAF CCN(CC)C(=O)[C@@H]1CCC[C@H](NC(=O)c2ccccc2)CN(C)C(=O)C1 2356669735 LTGDFRQNOPOHRS-MSOLQXFVSA-N 373.497 2.302 0 1 FEAF O=C(O)CCN1Cc2ccc(NC(=O)CCCC3CCNCC3)cc2C1=O 72104591 HWRXVANHVCXVHA-UHFFFAOYSA-N 373.453 2.226 0 1 FEAF CCN(CC)CCCNC(=O)CN1C(=O)c2cccc3cccc(c23)C1=O 31847786 HEKXTFPNJAJYDG-UHFFFAOYSA-N 367.449 2.284 0 1 FEAF O=C(Nc1cccc2ccccc12)OC[C@@H]1CSCCS(=O)(=O)N1 72136482 LKJSHQQBCVSIQC-CYBMUJFWSA-N 366.464 2.423 0 3 FEAF CC[C@H](c1ccccc1)c1[nH]nc2c1CN(C(=O)CN1CCOC1=O)CC2 71932836 MQGPUEGYBIJPQO-OAHLLOKOSA-N 368.437 2.289 0 1 FEAF O=C1N/C(=C\c2c[nH]c3cc(Br)ccc23)C(=O)N2CCC[C@H]12 38794040 BXFWRBXQKKIJQG-CNTYAEFGSA-N 360.211 2.392 0 1 FEAF CSCCc1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O 82231399 QZUUJKSWGOTHBU-UHFFFAOYSA-N 370.478 2.223 0 1 FEAF CCc1cnc(SCC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)nc1 96940242 YNUNYZNGCFZWEN-UHFFFAOYSA-N 371.871 2.315 0 1 FEAF CC(C)=CCC/C(C)=C/C(=O)NCCCN1CCN(CCCN)CC1 95582044 FAMRXJOXHHYFFP-HTXNQAPBSA-N 350.551 2.152 0 1 FEAF CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)NC1CCCC1 95895902 HWKRYOWXXXZXJP-HSALFYBXSA-N 373.497 2.336 0 1 FEAF NS(=O)(=O)c1ccc(N2C(=O)CS[C@@H]2c2ccc(F)cc2)cc1 96917020 LHBNHOJSKBVYIJ-OAHLLOKOSA-N 352.412 2.252 0 1 FEAF COC(=O)c1ccc2c(c1)n(O)c(C(=O)C(C)C)c(C(F)(F)F)[n+]2=O 377845675 ZHTYJWYZQXMBCQ-UHFFFAOYSA-N 359.280 2.437 0 1 FEAF CCO[C@H]1OC(C(=O)O)=C[C@@H](c2ccc3c(c2)OCO3)[C@@H]1CCCO 13118545 WPDFJICCXXINJA-LXIYXOSZSA-N 350.367 2.249 0 3 FEAF CN(C(=O)Cc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1)c1ccccc1 16954546 FEZCWCBSBPDLPD-UHFFFAOYSA-N 364.453 2.078 0 1 FEAF O=c1[nH]c2ccc(N3CCC[C@@H](CO)C3)nc2nc1Cc1ccccc1 766874 QLMDHQUVUGEZBW-OAHLLOKOSA-N 350.422 2.118 0 1 FEAF CC(=O)N[C@H](CCCNCc1ccccc1)C(=O)NCc1ccccc1 3589517 FLBOTHDKXBBJME-HXUWFJFHSA-N 353.466 2.378 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3[C@@H]3OC[C@H]1[C@@]23C 2356481631 WLEGVCDLXXAIOU-HGFREJDKSA-N 362.422 2.261 0 1 FEAF CC1=C2[C@H](OC(=O)C(C)C)[C@]3(C)[C@H](C)CCC[C@@]3(O)C[C@]2(O)OC1=O 2356378021 SWBUICHZUKBNOP-OSTKYOLVSA-N 352.427 2.077 0 1 FEAF Cn1c(C[C@@H]2CN(Cc3cnc[nH]3)CC[C@H]2CC(=O)O)nc2ccccc21 2356305985 XUKJEMVRFGMDKV-LSDHHAIUSA-N 367.453 2.452 0 1 FEAF CC(C)Nc1nc(-c2ccc(C3(N)CC3)nc2)cc2ncn(C)c(=O)c12 115622591 QYDRMZFWINMBMT-UHFFFAOYSA-N 350.426 2.159 0 1 FEAF C[C@H](Cn1ccnc1)Cn1c(=O)[nH]c2c(C(F)(F)F)cccc2c1=O 26391440 MOSWNOVGQALAHL-SNVBAGLBSA-N 352.316 2.241 0 1 FEAF CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)C[C@@H](Cc1ccccc1)C(=O)O 2356790525 FRMDSQRXQVVKNU-IEBWSBKVSA-N 369.417 2.342 0 1 FEAF CCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@H](CC)N2 82207403 WRCLKOALUVZRAF-AWEZNQCLSA-N 358.442 2.245 0 1 FEAF NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cc(OCC2CC2)c(C2CC2)cn1 146409495 SXYWWXYGUSEJHH-AWEZNQCLSA-N 365.380 2.083 0 1 FEAF O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21 299807044 NLRDWJJCYOHFLS-DPXVYKJRSA-N 361.401 2.120 0 1 FEAF COc1ncccc1C(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C 653822865 YMLVSFOAUKMQOT-UHFFFAOYSA-N 370.409 2.320 0 1 FEAF N[C@H]1CC[C@@H](Nc2ccnc(O)c2-c2nc3c([nH]2)C[C@H](C(=O)O)CC3)CC1 653729634 ZSZFCHMTIQSUJV-UTUOFQBUSA-N 371.441 2.049 0 1 FEAF N=C(N)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587126481 BRTZZPRITANOLF-UHFFFAOYSA-N 369.328 2.202 0 1 FEAF CC(C)(C)OC(=O)N1CC[C@H]2Cc3nc4nc(O)nc(O)c4cc3[C@H]2C1 587559460 YKZOYCGGEVMCLH-CABZTGNLSA-N 358.398 2.333 0 1 FEAF CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1NCCc2nc3ccccn3c21 962992745 YWRAZCFBOGFORU-GDBMZVCRSA-N 358.442 2.157 0 1 FEAF CN(C)CCOc1cccc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962918398 HLQQSVQKJGKUSO-OALUTQOASA-N 358.413 2.454 0 1 FEAF COc1cc([C@@H]2c3cc4c(cc3O[C@@H](NN)[C@H]2C)OCO4)cc(OC)c1O 19167254 SWKDOMTZLKUFNX-VWTWREEESA-N 374.393 2.088 0 1 FEAF CCOC(=O)[C@@H](NC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1)C(C)C 1857553888 CDQFUCREUXRYHV-LNENJAERSA-N 363.410 2.338 0 1 FEAF CN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2466615 KMXPPTAFUIKKDW-WOJBJXKFSA-N 363.461 2.201 0 1 FEAF COc1ccc(C(=O)N2C[C@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)cc1 2356461780 UKHDNRPAEHMCMI-WBVHZDCISA-N 352.390 2.334 0 1 FEAF N=C(N)c1ccc(-c2csc(NC3CCN(CC(=O)O)CC3)n2)cc1 3918478 LNLRVIIANTYUMB-UHFFFAOYSA-N 359.455 2.055 0 1 FEAF O=C1CN(C(=O)c2ccc(Cl)cc2)C[C@@H](O)CN1Cc1cccs1 105850707 YGCBKTGHRVYEIV-AWEZNQCLSA-N 364.854 2.247 0 1 FEAF Cc1cccnc1NC(=O)C1CCN(c2ncnc3onc(C)c23)CC1 20944537 BFXJWROVEMIWAW-UHFFFAOYSA-N 352.398 2.485 0 1 FEAF CC[C@@H]1C[C@H]2N3C[C@H]1C[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1C(=O)[C@H]3O 2356418148 XTVZKOJPJUPJGR-ZKNOAXKWSA-N 368.433 2.214 0 1 FEAF C[C@@H]1OC=C(C(=O)O)[C@@H]2C[C@@H]3N(CC[C@@]34Nc3ccccc3C4=O)C[C@@H]12 2356632174 XJBQLDFXLQMHKY-JAIBIGNHSA-N 354.406 2.131 0 1 FEAF CCN1C[C@@]2(C)CCC[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O 2356773209 TWAXKDVWAOGBCE-GVHNHCHASA-N 361.526 2.280 0 1 FEAF CCOC[C@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1 40860600 RAEPBILQBUXWGC-OAHLLOKOSA-N 358.446 2.243 0 1 FEAF CC(=O)c1cccc(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)c1 49792571 OMOOZNJIAYMBSP-UHFFFAOYSA-N 362.393 2.021 0 1 FEAF CC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195069662 OKPZZQOOGVTTIF-XJFFXYRESA-N 367.445 2.226 0 1 FEAF CNc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1 89469232 BCIHBZDEHSPYFM-MRXNPFEDSA-N 351.410 2.285 0 1 FEAF CC(C)[C@@H](CO)Nc1nc(Nc2ccncn2)c2ncn(C(C)C)c2n1 95597002 VKKIPHDPLVDNSB-GFCCVEGCSA-N 356.434 2.370 0 1 FEAF CCOC(=O)C[C@]1(C[C@@H]2CCCO2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963021531 GICHEFVEILZHIP-WIEQDCTASA-N 372.465 2.458 0 1 FEAF COc1ccc(OC)c([C@@H]2CCc3cnc4nc(N)nc(N)c4c3C2)c1 5801157 KSDUJWSZZMWRBN-SNVBAGLBSA-N 351.410 2.479 0 1 FEAF COc1cc(C[C@H]2CO[C@H](O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O 14642254 AQTZWMJGAOIWFV-MDOVXXIYSA-N 360.406 2.481 0 1 FEAF in-vitro Cc1cc(C)n2nc(CC(=O)N3c4nc5ccccc5n4C[C@@H]3C)nc2n1 1857550263 FWIWLYXORKTJJN-ZDUSSCGKSA-N 361.409 2.069 0 1 FEAF COc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1F 6530458 AJYULWYVAMSVSA-UHFFFAOYSA-N 355.416 2.330 0 3 FEAF CC(C)=CC(=O)O[C@@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C 2356683133 ILKRCFPIERWOTH-MXOMYUGUSA-N 364.438 2.387 0 1 FEAF COC[C@@H]1CCCN1C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccccc1 2356854792 RSIJLFBFNWOKOK-WOZUAGRISA-N 371.525 2.238 0 1 FEAF C[C@H](N)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1 38699100 PEGWSSHEIIFLNB-YARQWZEPSA-N 372.490 2.439 0 1 FEAF CCCCNC(=O)c1cnc(NCCNC(C)=O)nc1-c1ccccc1 82132721 QPZORVROVBYOKN-UHFFFAOYSA-N 355.442 2.222 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C 257694460 YOQIGAVHLYFIAF-YLAHKTDGSA-N 364.438 2.243 0 1 FEAF endogenous,in-man C[C@@H]1O[C@@H]2N[C@H](CSc3ccc4ccccc4c3)NC(=O)[C@@H]2[C@@H]1C(=O)O 618014632 BFVORBXNUMPUJK-GOHOTHEISA-N 372.446 2.039 0 1 FEAF CNC(=O)N=c1cccc2n(C)c(-c3ccc(OC(=O)N(C)C)cc3)cn12 377819943 PNCBMWYLTVOWNX-UHFFFAOYSA-N 367.409 2.245 0 1 FEAF NS(=O)(=O)c1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587876730 XKUALXRAPVJKHS-UHFFFAOYSA-N 359.338 2.131 0 1 FEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Nc1cnc2ccccc2c1 169293734 ZJEUUDOBFLQKBE-VMGHMQSFSA-N 373.412 2.226 0 1 FEAF Cc1ccc(-n2nc3c(=O)n(CC(=O)NC(C)C)nc(C)c3c2C)cc1 6944541 OYLDCDXOWRCDNF-UHFFFAOYSA-N 353.426 2.032 0 1 FEAF COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nnc2N)cn1 103252825 ASYMESPIJXKIGA-UHFFFAOYSA-N 356.407 2.200 0 1 FEAF COc1ccccc1C(=O)[C@@](O)(Cn1cncn1)c1ccccc1OC 26008477 KTGXKZCVWOQIAJ-LJQANCHMSA-N 353.378 2.066 0 1 FEAF Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2c(F)cccc2F)nn1 114079242 YLDIKIAHQGCTTE-UHFFFAOYSA-N 372.379 2.129 0 1 FEAF CCOC(=O)Cc1nnc2n(c1=O)CCN2c1ccc(Cl)c(Cl)c1 103247548 BCHIHBRESRIOLH-UHFFFAOYSA-N 369.208 2.202 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H](N)[C@@H]3C)c(Cl)c21 27429870 FLTWGKOEBFSARR-WRWORJQWSA-N 353.781 2.048 0 1 FEAF C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)CC1CCCC1 61907019 SMCNKIKDNSHWJW-MRXNPFEDSA-N 370.496 2.124 0 3 FEAF O=C(O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@@H]1CC1(Cl)Cl 26578803 CIRFDBFEOGFGRQ-NWDGAFQWSA-N 374.220 2.068 0 1 FEAF O=C(O)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)/C=C/c1ccccc1 27522341 GIKKFOVDJPQBSW-DVQDXYAYSA-N 371.414 2.068 0 1 FEAF O=C(NC(=O)c1ccccc1)NC1CCN(CC(=O)c2ccccc2)CC1 27899419 BHWWZZSFCHHZGH-UHFFFAOYSA-N 365.433 2.473 0 1 FEAF CC(C)[C@]1(O)C=C[C@](C)(O)CC=C[C@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 2356695655 PZFBVODTZGEVTO-RSPOEFSDSA-N 350.455 2.414 0 1 FEAF NC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82086032 KOBKCADOGSYQHO-ZDUSSCGKSA-N 371.418 2.204 0 1 FEAF COc1c(C)c(OCC=C(C)C)cc2c1CN(CCS(=O)(=O)O)C2=O 238753311 MESAXYIANMGTSI-UHFFFAOYSA-N 369.439 2.192 0 1 FEAF CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1 95578524 YVJHAYUOJJPNIV-UHFFFAOYSA-N 363.417 2.346 0 1 FEAF CCN1[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CCCS1(=O)=O 95565666 STKBCDOYIAQZAI-ZDUSSCGKSA-N 365.282 2.424 0 1 FEAF Cn1ncc2cc(-c3cc(=O)n4nc(N)c(-c5ccccn5)c4[nH]3)ccc21 653681798 GZQCFJYOSZHIQJ-UHFFFAOYSA-N 357.377 2.221 0 1 FEAF CNS(=O)(=O)c1cc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)n(C)c1 586947228 KJPPMBIKSCTQEC-UHFFFAOYSA-N 360.226 2.178 0 1 FEAF CN(C)c1ccc([C@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1 587370007 SNBLEPASNIDSIU-CYBMUJFWSA-N 350.378 2.149 0 1 FEAF Nc1ncnc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc12 587144059 HUCLKPNNIJGHNL-VIFPVBQESA-N 351.183 2.079 0 1 FEAF CC(C)CCN1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1 13743354 NZJUQOAVHJUPHZ-UHFFFAOYSA-N 366.259 2.383 0 1 FEAF CC1(O)C2CC3CC1CC(C2)C3(CC(=O)N1CC(O)C1)c1ccc(F)cc1 202366618 GDRALBLNEBOPGA-UHFFFAOYSA-N 373.468 2.474 0 1 FEAF COc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C)c(N)c1 930543 MKPODPDYSMUUSU-UHFFFAOYSA-N 370.438 2.292 0 3 FEAF COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 2491975 PSFOYIXGVAQCJD-QGZVFWFLSA-N 362.470 2.387 0 1 FEAF CCn1c(COc2cc(F)ccc2Cl)nc(N2CCNCC2)cc1=O 45254975 RVKSMCQQENTFAO-UHFFFAOYSA-N 366.824 2.044 0 1 FEAF C1=C(c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)CCNC1 225560066 OGPNPZKVZMUJAH-UHFFFAOYSA-N 362.437 2.233 0 1 FEAF NC1=N[C@](CF)(c2cc(-c3cncc(F)c3)c(CO)cc2F)[C@H]2C[C@H]2O1 220656882 HMEVXGWCKDIWSV-YXJHDRRASA-N 363.339 2.417 0 1 FEAF COc1c(C)cnc(CN2c3nc(N)nc(Cl)c3NC(=O)[C@@H]2C)c1C 43018908 UOUTZRIJTVPXFA-VIFPVBQESA-N 362.821 2.080 0 1 FEAF NC(=O)[C@H]1CCCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)C1 95598883 XAHVPJYARIVNCX-NSHDSACASA-N 366.343 2.433 0 3 FEAF C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 95675529 PHXITHQOKRDDQC-WQANXHIZSA-N 374.481 2.079 0 1 FEAF COc1cc([C@@H]2COc3cc(O)c(OC)c(O)c3C2=O)cc(O)c1OC 36434365 ZPQRFZZYQKRPRG-VIFPVBQESA-N 362.334 2.188 0 1 FEAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CN(C)S(C)(=O)=O)o1)O2 587409337 LNBCHJIWGHQZFN-MRXNPFEDSA-N 364.423 2.268 0 1 FEAF CC(C)CCOc1cc2nc([C@H](O)[C@@H](O)CO)[nH]c2cc1Br 586893071 UNUKPLSGVOTIKJ-GXTWGEPZSA-N 373.247 2.137 0 1 FEAF CN1C[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1=O 587661093 MHGJDEJCBSBWPC-CYBMUJFWSA-N 365.364 2.321 0 1 FEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(CCO)c1 587583995 XXFNOLSECRKYHC-LPHOPBHVSA-N 352.346 2.284 0 1 FEAF O=C1CSC[C@@H](c2nc3ccc(I)cc3[nH]2)N1 587044211 RWENVTKGIHVURQ-VIFPVBQESA-N 359.192 2.072 0 1 FEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)ncc2[nH]1 586958337 IQBDIULQDPIREE-AWEZNQCLSA-N 352.803 2.080 0 1 FEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 586957931 FYMIYWZCMQDDQW-OAHLLOKOSA-N 371.340 2.449 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(C(=O)O)N1 587829140 QTTDSQHPATVFNX-WJWGPLDTSA-N 360.179 2.267 0 1 FEAF CCOC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)F 587648933 JTGRKOPSQBEUPU-UHFFFAOYSA-N 363.313 2.493 0 1 FEAF COC(=O)[C@](C)(O)[C@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962717829 QZUOHNAZKYJSGT-IGNZVWTISA-N 353.459 2.329 0 1 FEAF COC(=O)[C@@H]1CSC[C@]12c1cc(OC)c(OC)cc1C[C@H](C)N2C 962576291 SZWROOZKUIZUNZ-MIUNTBIASA-N 351.468 2.312 0 1 FEAF CCOc1ccccc1Nc1nc(N2CCCC2)nc(N2CCOCC2)n1 12480378 ZBGMUWGIMBCBOY-UHFFFAOYSA-N 370.457 2.451 0 3 FEAF O=P(O)(O)[C@H](NCc1ccccc1)c1cccc2nc(O)c(O)nc12 13440489 DFZIWVYVVZHQPY-INIZCTEOSA-N 361.294 2.007 0 1 FEAF COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)[nH]2)CC1 13449336 KRIRDNNIESRWGA-UHFFFAOYSA-N 368.481 2.468 0 1 FEAF CC=C1CN2[C@H]3C[C@]45c6cc(OC)ccc6N[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)OC 2356511457 IRMHHGGGRPOHRY-ZGXHVFIOSA-N 368.433 2.254 0 1 FEAF COc1ccc2nc3c(c(C)nn3[C@H]3CNC[C@@H](CO)O3)c(Cl)c2c1 26154534 AYPDRMWVPXOANW-SMDDNHRTSA-N 362.817 2.034 0 1 FEAF CCOC(=O)Cc1c(C)nc2nc(NCc3ccc(CC)cc3)nn2c1O 21178539 BPFCRKALHKSOHZ-UHFFFAOYSA-N 369.425 2.418 0 1 FEAF CCCNC(=O)N1CCN(c2cc(N)c3cc(OC)c(OC)cc3n2)CC1 25984615 XLOWJYASSHXECB-UHFFFAOYSA-N 373.457 2.076 0 1 FEAF Cc1cccc(-c2nc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)co2)c1 72102988 NNWYGJFOMJZJQF-GOSISDBHSA-N 355.438 2.473 0 1 FEAF COc1c(O)cc2c(c1OC)-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2 13434599 KBHVKXILRXPJLA-AWEZNQCLSA-N 371.389 2.266 0 1 FEAF biogenic CC(=S)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 71342074 OWAWUCVQBCZFLR-AWEZNQCLSA-N 368.422 2.053 0 1 FEAF Cc1c(CN)c2cc(F)c(N3C[C@H]4C[C@@]4(N)C3)c(C)c2n(C2CC2)c1=O 1911578438 BTBFRTQVSFZWCG-MPBGBICISA-N 356.445 2.088 0 1 FEAF CCCCOCCCNC(=O)CNC(=O)c1coc(-c2cccs2)n1 82084796 URFZVXBWJHDHJW-UHFFFAOYSA-N 365.455 2.456 0 1 FEAF Cc1ncoc1C(=O)N1CCn2c(COc3cccnc3)cnc2[C@@H]1C 96111102 ZPCVNTGEZSRPOR-ZDUSSCGKSA-N 353.382 2.371 0 1 FEAF COc1ccc2c(c1)CN1CN(CCc3ccccc3)S(=O)(=O)C[C@@H]21 96020153 JGECGDFCWGQSLC-IBGZPJMESA-N 358.463 2.398 0 3 FEAF O=C(Cc1ccccc1F)N1C[C@H]2COC[C@@]2(COc2cccnc2)C1 299843148 NEWZMBRFAHSNKU-OXJNMPFZSA-N 356.397 2.317 0 1 FEAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(N)ccnc4[nH]3)cc12 587037639 LRZZCBCSHNCXTI-MRVPVSSYSA-N 355.427 2.288 0 1 FEAF CC1=C(c2ccc3nc([C@H](O)c4cccc(O)c4)[nH]c3c2)NNC(=O)C1 586887965 AQHPOZJUBOZUBU-GOSISDBHSA-N 350.378 2.106 0 1 FEAF O=S(=O)(c1ccccc1F)n1cc2c3c(cccc31)N1CCNC[C@@H]1C2 169351344 NJVMNGNTGSRRDT-AWEZNQCLSA-N 371.437 2.352 0 1 FEAF COc1cc(OC)cc(-c2cccc(Nc3cc(=O)n(O)c(=O)n3C)c2)c1 1857586030 JVKONPCILKIMNM-UHFFFAOYSA-N 369.377 2.212 0 1 FEAF CC[C@@H](C)N(CC(=O)NCc1ccc(OC)cc1)C(=O)c1csnn1 4965205 CFAQSQUURJCGNX-GFCCVEGCSA-N 362.455 2.104 0 3 FEAF C[n+]1cn([C@@H](C(=O)c2ccccc2)c2ccccc2)c2nc(N)nc(O)c21 103292809 AZJHHXGWGOELDI-OAHLLOKOSA-O 360.397 2.016 0 1 FEAF COC(=O)/C=C/c1ccc2c(c1)[C@@H](O)C(=O)N2Cc1ccc(OC)cc1 103230728 JEANTZKKHGWOQZ-ZAOIQFLMSA-N 353.374 2.462 0 1 FEAF OC[C@@H]1[C@H](O)C[C@H](NCC2CC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356288695 JGLRXEWNKTVFPW-LCLWPZTBSA-N 371.456 2.183 0 1 FEAF COc1ccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)cc1 66157213 SSYDBFAJANQMNV-UHFFFAOYSA-N 352.308 2.464 0 1 FEAF Cc1cccc(-c2noc(-c3csc([C@@H]4C[C@H](O)[C@@H](CO)O4)n3)n2)c1 61929165 FRPIOQBMVYEWFG-MELADBBJSA-N 359.407 2.352 0 3 FEAF C[C@@H](S[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O 73224673 JVZOJVSKVSEJNC-VHDGCEQUSA-N 365.451 2.270 0 1 FEAF CCOc1ccc2cc(-c3nn([C@H]4CCOC4)c(N)c3C(N)=O)ccc2n1 221798559 YNCBHKFEHYLGFT-ZDUSSCGKSA-N 367.409 2.140 0 1 FEAF CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](C(C)C)N2 82206502 NJGCUPHKGDPWGX-MRXNPFEDSA-N 371.485 2.361 0 1 FEAF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ncccc1O 95618857 KQXWMUFVDAFGPU-OAHLLOKOSA-N 373.434 2.197 0 1 FEAF world Cc1cncc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 586947313 VZHOAPNCLPHPJP-CQSZACIVSA-N 372.450 2.391 0 1 FEAF COc1ccc(C=O)c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c1OC 587797705 RTYJQRMDVWPKPP-UHFFFAOYSA-N 350.338 2.035 0 1 FEAF Cc1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCC4)C2)n2ncnc2n1 1772626956 VOQJMNVKRKGOBN-MRXNPFEDSA-N 363.421 2.387 0 1 FEAF O=C1[C@H]2[C@H](C=CC[C@H]2C(=O)N2CCOCC2)CCN1Cc1ccccc1 12478638 UXAIZBGBMIJJOW-QRVBRYPASA-N 354.450 2.086 0 3 FEAF C[C@@]12C(=O)N(Cc3ccncc3)CC(=O)N1CCc1c2[nH]c2ccccc12 13002968 ODOGNUMXKQULIG-OAQYLSRUSA-N 360.417 2.205 0 1 FEAF biogenic CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@]23C=C[C@H]1O3 13151302 OFEIMXRKQMBMPZ-UMPJEAMMSA-N 351.761 2.329 0 1 FEAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc2ccccc2n1 3818865 IABDQTZKQKCLMV-UHFFFAOYSA-N 373.412 2.402 0 1 FEAF CN(C(=O)c1c(O)c2cc([S@@](C)=O)ccc2n(C)c1=O)c1ccccc1 3784611 DGTJXFWWLRITLV-SANMLTNESA-N 370.430 2.258 0 1 FEAF O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)N1CCCCC1 6802003 NVBONJRXXCMLND-UHFFFAOYSA-N 362.433 2.395 0 1 FEAF CCOC(=O)CC(=O)CSc1nc2nncc-2c(O)n1-c1ccccc1 103975501 DTJSAYSRNMLCSK-UHFFFAOYSA-N 372.406 2.087 0 1 FEAF CC[C@H]1C[C@H]2N3C[C@H]1C[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1C(=O)[C@H]3O 2356418141 XTVZKOJPJUPJGR-AEVWPYCLSA-N 368.433 2.214 0 1 FEAF COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 195514288 XGYZDZNXCXHGBV-SSCXBUAASA-N 366.461 2.481 0 1 FEAF CCCNc1nc2c(N)nc(OCCOC)nc2n1Cc1ccccc1 40567276 PNUOZIUWPPLYEM-UHFFFAOYSA-N 356.430 2.304 0 1 FEAF CCN(CCOc1nc(-c2ccncn2)cc(=O)n1C)c1cccc(C)c1 146540046 DXSNGSGTMKJTPH-UHFFFAOYSA-N 365.437 2.451 0 1 FEAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CN(C)C1 95666528 HEFZDAQLWCISQW-KRWDZBQOSA-N 369.465 2.035 0 1 FEAF C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@@H]2CC[C@@H](O)[C@@H]3[C@@]1(C)CC[C@H]1CCOC1 523041501 GOMXXHNZEQAZQB-SNVORDJASA-N 352.471 2.140 0 1 FEAF biogenic COC(=O)c1cc2c(cc1OC)CCN1CCC3=C[C@@H]4OCO[C@@H]4C[C@]321 34960769 WVGKKVOLNYNBFM-NSHGMRRFSA-N 357.406 2.011 0 1 FEAF biogenic COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1OC 653861815 PPRDPDLXCTXSPB-CQSZACIVSA-N 365.455 2.001 0 1 FEAF NC(=O)NCCC[C@H](N)c1nc2cc(Br)c(F)c(F)c2[nH]1 587259339 JIZWAHWLWFOWLU-LURJTMIESA-N 362.178 2.052 0 1 FEAF CCOC(=O)c1cnc(NN2C(=O)C=C(C)C2=O)nc1-c1ccsc1 13818156 AZUKCBCPTRCFKD-UHFFFAOYSA-N 358.379 2.024 0 1 FEAF O=C1NC(=O)[C@H](C[C@H]2COc3ccc(Br)cc3C2=O)S1 169325623 LQENPMDZEOSVTA-WKEGUHRASA-N 356.197 2.382 0 1 FEAF COc1cccc(S(=O)(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)c1 205229248 BXGNOESFTZCTTN-MSOLQXFVSA-N 372.446 2.427 0 3 FEAF COC[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)Cc2ccccc21 205153053 ZELOUHZNXXBSPG-IBGZPJMESA-N 354.450 2.433 0 1 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccnnc4)c(=O)n1c23 1857539521 LPBXRWMHVOVMSY-JTQLQIEISA-N 368.368 2.073 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@]2(O)C(=O)CC[C@@H](C)[C@@]12C 2356507890 JRRUBQLITXADFJ-PDDAWLJDSA-N 360.406 2.372 0 1 FEAF CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(F)ccc3nc2-1 26642258 NCQUZXOIBJJVOM-HXUWFJFHSA-N 366.348 2.219 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC=C2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@@H]1C 2356434544 VNQVNYIPOUGYKN-GDOLHHRKSA-N 362.422 2.163 0 1 FEAF CC(C)COC(=O)N1CCCC[C@@H]1c1cc(C(=O)N2CCOCC2)no1 61929515 SXRKIFFGKQRXMR-OAHLLOKOSA-N 365.430 2.467 0 3 FEAF CC=C1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]4([C@@H]2C(=O)OC)[C@H]2[C@H](OC)ON3[C@@H]12 2356803373 XAPXZORJNSUNGB-FPAVLXNRSA-N 366.417 2.366 0 1 FEAF CC(=O)Oc1c(Br)cc(CC(N)=O)cc1Br 64539373 UGYDGNFTXXYQMR-UHFFFAOYSA-N 350.994 2.165 0 1 FEAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C[C@H](N)C(=O)O)cc1)[C@@H](C2)C3=O 587434654 XVUHFCGZKYYEPN-CKJXQJPGSA-N 367.401 2.312 0 1 FEAF O=C(c1cnc(-n2ncc3ccc(Cl)cc3c2=O)nc1)N1CCCC1 587655178 VFIFVUFVDLWGLP-UHFFFAOYSA-N 355.785 2.065 0 1 FEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN1CCO[C@H]2C1 587586396 CAWZZLYZNABBGK-ABSDTBQOSA-N 353.374 2.197 0 1 FEAF NS(=O)(=O)Cc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 586930507 QQUBKDFREPKQDY-UHFFFAOYSA-N 367.228 2.176 0 1 FEAF CC[C@@]1(C(N)=O)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963197742 UDWNZYWJDYXNJC-GXFFZTMASA-N 350.724 2.048 0 1 FEAF C[C@]1(c2csnn2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642381 ZHMNKBAZLBWKSC-GWCFXTLKSA-N 359.329 2.299 0 1 FEAF CCC(CC)O[C@@H]1C=C(C(=O)Nc2ccccc2)C[C@H](N)[C@H]1NC(C)=O 1772638725 YNGCGPPCEHHFHE-IPMKNSEASA-N 359.470 2.361 0 1 FEAF CNC1=NC(=O)[C@H]([C@H](C)c2cn(C(=O)CCC(=O)O)c3ccccc23)S1 169319785 TYLAUZGFEFLERF-HWPZZCPQSA-N 373.434 2.467 0 1 FEAF N#CN1CCC[C@](F)(C(=O)Nc2cnc(-c3cccc4c[nH]nc34)cn2)C1 1857560440 NGAZKIGQCYBXLE-GOSISDBHSA-N 365.372 2.244 0 1 FEAF Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)N3CCCC[C@@H]3C)c2C)n1 16849638 QVFFBTJHBUQORW-ZDUSSCGKSA-N 357.458 2.214 0 1 FEAF Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCN(CCO)CC1 1493882 WJSCDYSIDGEWEB-UHFFFAOYSA-N 353.426 2.015 0 1 FEAF CCNC[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 103282745 YFCDAUMMCVCLEJ-CYBMUJFWSA-N 355.438 2.470 0 1 FEAF O=C(NC(=O)c1ccccc1)NC1CCN(C[C@@H](O)c2ccccc2)CC1 27985793 FDSUVJNQVSOIRG-LJQANCHMSA-N 367.449 2.324 0 1 FEAF Cc1ccc2c(c1)nc1n2[C@H](CNS(=O)(=O)c2ccccc2)COC1 2356299898 QDPUJMONGRRFHV-CQSZACIVSA-N 357.435 2.395 0 1 FEAF C[C@H]1N[C@@H](C)N(CCN2C(=S)S[C@@H](C)N[C@H]2C)C(=S)S1 39959908 JZFICWYCTCCINF-IMSYWVGJSA-N 350.604 2.217 0 1 FEAF in-vitro Cn1ncnc1-c1ccnc(N2CCC([C@H](O)c3cccs3)CC2)n1 82038041 QXZKNRUKDFDFJX-HNNXBMFYSA-N 356.455 2.284 0 1 FEAF CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1 49066417 RESVNXVNOWGHOF-UHFFFAOYSA-N 364.369 2.489 0 1 FEAF NC(=O)c1ccc(N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)c2cncnc12 143663566 VISYXENNOBZZBT-RHSMWYFYSA-N 365.412 2.189 0 1 FEAF CN1Cc2c3c(cc(O)c2[C@@H]2[C@H](O)Cc4cc5c(cc4[C@@H]21)OCO5)OCO3 238740040 RWDWPBLTGUWECU-HQOQDVMHSA-N 369.373 2.037 0 1 FEAF C[C@@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@H](CO)[C@@]13C[C@@H](CC[C@@H]21)[C@@](C)(O)C3 238779796 LMRVOLJKVFSTPO-JXZORMSISA-N 352.471 2.034 0 1 FEAF Cn1cccc1C(=O)C1CCN([C@@H]2Cc3cccc(N)c3C[C@H]2O)CC1 96273560 XBRHTDSVNIIZNF-WOJBJXKFSA-N 353.466 2.030 0 1 FEAF COc1ccc(-c2cc(=O)c3c(O)cc(OS(=O)(=O)O)cc3o2)cc1 299853539 MIXUZJDETFYGJQ-UHFFFAOYSA-N 364.331 2.356 0 1 FEAF CCOC(=O)CCOCCCOCCc1nc2ccc(C(=O)O)cc2[nH]1 587568425 LQWAZDSGXBMEKN-UHFFFAOYSA-N 364.398 2.180 0 1 FEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587204285 OSMOCLYDLDENIH-ZCFIWIBFSA-N 360.311 2.198 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(CCO)c2)N1 587762422 YSADHNYKDBYLAJ-RFAUZJTJSA-N 354.223 2.401 0 1 FEAF CC(C)(C)OC(=O)NC[C@H]1Cc2c3cccc2[C@@]2(C=COCC2=O)N1C3 962643845 WOUANFMJQLOISF-JLTOFOAXSA-N 356.422 2.260 0 1 FEAF CCOC(=O)C[C@]1(c2cnccn2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963605644 GUCMFJPUAABUJH-RNODOKPDSA-N 371.437 2.225 0 1 FEAF COc1ccc(S(=O)(=O)n2cc(CCN)c3ccccc32)cc1OC 14975934 NXNLNVGGTUZXJZ-UHFFFAOYSA-N 360.435 2.397 0 1 FEAF O=c1n(CCCCN2CCN(c3ccc(F)cc3)CC2)c(O)c2n1CCC2 169714894 RPKOIJUATMPDCZ-UHFFFAOYSA-N 374.460 2.043 0 1 FEAF NC(=O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)nc(O)c3C2)cc1 1857575778 FQUMSYXDXWDTQP-UHFFFAOYSA-N 374.400 2.147 0 1 FEAF COc1ccc(OC2CCN(c3nc4cnnc(O)c4cc3C)CC2)cn1 1857754800 QUZKCQPDWULNCJ-UHFFFAOYSA-N 367.409 2.490 0 1 FEAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@@H]2[C@H]1C 2356322142 ZFKXNBKKSJPZIT-BGOMHHRHSA-N 352.519 2.475 0 1 FEAF COC(=O)[C@H](C)Sc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1 104148370 RVTPSSHQXKLNHA-QMMMGPOBSA-N 364.814 2.367 0 3 FEAF CCOc1ccc2oc(=O)cc(CN3CCN(c4ncccn4)CC3)c2c1 58090655 OWKAFXNHYWPEMS-UHFFFAOYSA-N 366.421 2.304 0 1 FEAF CN(C)C(=O)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1 29044631 XUZGWCINCWLFMV-UHFFFAOYSA-N 364.453 2.262 0 1 FEAF CC(=O)Nc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 75830252 NAGRLHLIRDYTBY-UHFFFAOYSA-N 352.394 2.259 0 1 FEAF COc1cc(O)c2c(c1OC)O[C@@H](c1ccccc1OC(C)=O)[C@@H](O)C2=O 14643388 AOIYAWYKBDWNBB-IRXDYDNUSA-N 374.345 2.012 0 1 FEAF biogenic CN1CCN(c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1=O 139739044 WDBCKAWNMKBNDK-UHFFFAOYSA-N 356.401 2.250 0 1 FEAF C[C@H]1[C@@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@@H](C(O)O)[C@H](C)[C@H]1C 95626107 DCVIOAHIQDCAHO-ZILPHMDCSA-N 364.438 2.257 0 1 FEAF in-man COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCCCO)cc1 96286189 YLLFDRHTELGUAX-XDOYNYLZSA-N 368.389 2.492 0 1 FEAF O=C1COc2cc3[nH]c(/C=C/S(=O)(=O)c4ccccc4)nc3cc2N1 586923987 CWQLWGLZTLKIQH-VOTSOKGWSA-N 355.375 2.338 0 1 FEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OCCO3 587226460 ZMHGMHBZWVTWCL-GFCCVEGCSA-N 353.378 2.418 0 1 FEAF O=C(N[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1)OCc1ccccc1 587556752 ZRJJGUPYMRKWMO-CYBMUJFWSA-N 366.377 2.220 0 1 FEAF COC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 587369697 NPWDZZVEJLRFRR-IBGZPJMESA-N 369.352 2.175 0 1 FEAF CC(C)c1nn(C)c2c1[C@](C)(c1ccc(N3C(=O)C=CC3=O)cc1)NCC2 962921388 SXYQJVUEBUHGFC-NRFANRHFSA-N 364.449 2.382 0 1 FEAF NC(=O)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962955894 AFQNEPJRSLSRML-WFASDCNBSA-N 366.751 2.405 0 1 FEAF Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@H]2OC(=O)[C@@H](O)[C@@H]2O)cc1C 17424305 ASVMLLDTIZTDOP-XSDIEEQYSA-N 370.445 2.060 0 1 FEAF Cc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)nc1 169697328 OXKAOOGUFMJORE-UHFFFAOYSA-N 360.425 2.414 0 1 FEAF CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@H]4[C@H](C)OC[C@@H]([C@H]12)[C@H]4CC3=O 1566973 FMZMLKGLGADCPQ-OWQXKBHRSA-N 368.477 2.235 0 1 FEAF O=C(O)C1=CS[C@@H]2/C(=C\c3cn4c5c(sc4n3)CCCC5)C(=O)N12 29130583 CCFXGLVYZSKCJY-VYLZPFMQSA-N 359.432 2.499 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@H]1C 2356640686 NFAZPKOZGQLFNL-APKPCQDASA-N 364.438 2.243 0 1 FEAF C[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H](Cn4cnc5[nH]c(O)nc5c4=O)[C@]31CC2(C)C 2356786562 AWGDSXSZEPCQQP-HCWGHFIKSA-N 370.453 2.493 0 1 FEAF CC(=O)N1CC[C@@H](c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)C1 72127796 OEVGYUXYZSTGNX-OAHLLOKOSA-N 363.425 2.324 0 1 FEAF Cc1cc(C)cc(-n2ccn3c(CCC(=O)NCC(C)C)nnc3c2=O)c1 33043112 YITIPDHBYOGRCF-UHFFFAOYSA-N 367.453 2.202 0 1 FEAF CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1=O)OCO4)OCO3 14681299 HFBBUUABESBUKH-UHFFFAOYSA-N 367.357 2.198 0 1 FEAF biogenic CCOC(=O)Cc1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1 84757062 WREJGORMWWLEPL-CYBMUJFWSA-N 368.393 2.284 0 1 FEAF CCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(-c3nccn3C)nn2)ON1C 82153872 RGGWZYSMFODXPQ-QWHCGFSZSA-N 370.350 2.037 0 1 FEAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cnn(C)c3)n2n1 40823066 YVNQCZCIRMOCOR-UHFFFAOYSA-N 362.397 2.333 0 1 FEAF c1ccc(CO[C@@H]2CO[C@@H]3[C@@H]2OC[C@@H]3n2nnnc2-c2ccccc2)cc1 25230114 URPGGVLAPQCCPM-ZSYWTGECSA-N 364.405 2.264 0 1 FEAF biogenic O=C1C=C(C(F)(F)F)N[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)N1 587502860 BSACVHUQVPLGEA-CXAGYDPISA-N 366.339 2.391 0 1 FEAF COC(=O)C(=O)C[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441607 GEAKCJXHBOAOAE-QVKFZJNVSA-N 366.369 2.470 0 1 FEAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3csc(O)n3)[nH]c2c1 587018463 CKBLXFPIEIHBJA-UHFFFAOYSA-N 352.441 2.423 0 1 FEAF COC(=O)[C@H](OC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598855 YOUULCSISXKKKF-DKSSEZFCSA-N 358.346 2.301 0 1 FEAF CCS(=O)(=O)NCCCc1nc2cc(Br)cc(F)c2[nH]1 586941765 BLDAEKDQZVIRNF-UHFFFAOYSA-N 364.240 2.336 0 1 FEAF CN(Cc1nc2nc(Cl)c[nH]c-2n1)S(=O)(=O)c1ccc(Cl)cc1 586929374 ULFWEJSQWXPKER-UHFFFAOYSA-N 372.237 2.432 0 1 FEAF Cc1c(F)ccc([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1C 963223016 PCIVUWJZSDLIJD-BQFCYCMXSA-N 368.412 2.013 0 1 FEAF Cc1ccccc1NC(=O)N1CCN(c2nc(N)nc3scnc23)CC1 205808330 NLTFWQLJQFCXHT-UHFFFAOYSA-N 369.454 2.331 0 1 FEAF COc1ccc(C[C@@H](C(=O)Nc2cccc(F)c2)c2nn[nH]n2)c(OC)c1 5483639 QCAVVIKWEHYLQP-OAHLLOKOSA-N 371.372 2.321 0 3 FEAF Cn1cc(-c2cc3c(-c4cccc(N5CCOCC5)n4)n[nH]c3cn2)cn1 205256473 LHKJJKGBIJIARW-UHFFFAOYSA-N 361.409 2.257 0 1 FEAF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)N2CCOCC2)cc1 4045553 TXVWEPLLCZJYPA-MJGOQNOKSA-N 369.421 2.296 0 1 FEAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC(=O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 2356413277 VRIMVJLJGZEEBA-XPUYUFAOSA-N 350.455 2.386 0 1 FEAF COc1ccc(NC(=O)O[C@H]2CC[C@H]([C@H](N)C(=O)N3CCCC3)C2)cc1 27993858 RUMXIFYYJHGJLC-JQFCIGGWSA-N 361.442 2.362 0 1 FEAF C[C@@H]1N[C@H](CCCCCC[C@H](CO)CC[C@H](O)CC(=O)O)CC[C@H]1O 2356572261 VJJZUCVDBNEUFA-IECFSIQFSA-N 359.507 2.053 0 1 FEAF CC(C)[C@@H](NC(=O)[C@H](C)N)c1nc(C(=O)NCc2ccccc2)cs1 66075464 RRRIFLBXNFCFQM-SWLSCSKDSA-N 360.483 2.234 0 1 FEAF CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)CC[C@H]4[C@H](C2)N(C)CC[C@]341 34034153 NCXVKLDKUADJPV-BRYJNJBFSA-N 371.433 2.213 0 1 FEAF Cc1cc(Nc2nc([S@@](C)=O)cn3c(-c4cn[nH]c4)cnc23)sn1 72111213 XLKQULZCNWBLGW-DEOSSOPVSA-N 359.440 2.365 0 1 FEAF COc1ccc(CN/C=C2\C(=O)NC(=O)c3ccc(Cl)cc32)cc1O 45498087 BRUYFWSHHYMOMJ-ZROIWOOFSA-N 358.781 2.455 0 1 FEAF CN1[C@@H](c2cn(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O 49109370 IDMBXGIIJWWJSX-GOSISDBHSA-N 356.403 2.449 0 1 FEAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@@H]1CCCCNC1=O 40402088 LMFXRYLPORCMTC-CYBMUJFWSA-N 372.450 2.304 0 1 FEAF NS(=O)(=O)c1ccc(NN2C(=O)CS[C@H]2c2ccc(F)cc2)cc1 84731397 BSVYAVGKELKMSW-HNNXBMFYSA-N 367.427 2.074 0 1 FEAF CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](C)CN2 82212305 FJPLRXFKYLMSHC-GFCCVEGCSA-N 364.405 2.156 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)N[C@@H]1CCCc2ccccc21 195330434 LUYDYUNUZBCJEW-CTZQRVGRSA-N 364.445 2.377 0 1 FEAF COc1cccc(N2CCN(CCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1 98084591 DIYOCPLUZDCNKK-UHFFFAOYSA-N 368.437 2.066 0 1 FEAF Cc1cc(-c2cc(=O)[nH]c(CC(=O)N3CCc4c(F)cccc43)n2)ccn1 147090277 YAYJUXLOPVAGKM-UHFFFAOYSA-N 364.380 2.411 0 1 FEAF COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(C(F)(F)F)c1 5853240 YYDZTNXQOFTJJF-UHFFFAOYSA-N 365.319 2.224 0 1 FEAF CNCc1nn(C)c(=O)n1-c1ccc(Cl)cc1C(=O)c1ccccc1 169331248 BIWIWOIITDSVPJ-UHFFFAOYSA-N 356.813 2.175 0 1 FEAF Cc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)NCCO 203539794 ZXKPOMXJHLXQKX-UHFFFAOYSA-N 371.828 2.405 0 1 FEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CC(Nc2ccc(F)cc2)C1 1857656341 YNMWDDYRZYAOQP-UHFFFAOYSA-N 350.371 2.039 0 1 FEAF CN(C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21)S(C)(=O)=O 149349514 DDXRLZGPCKYNQY-CYBMUJFWSA-N 368.405 2.325 0 1 FEAF CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758469 MDXJQYZJGAXSQA-UKRRQHHQSA-N 361.442 2.208 0 1 FEAF COc1ccc2c(c1OC)O[C@@H]1COc3cc4c(cc3[C@H]1[C@@H]2O)OCO4 2356714015 YYFWIFCWNZFLJJ-BRWVUGGUSA-N 358.346 2.403 0 1 FEAF CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@H]1c1ccc2ccccc2c1 61958851 DZKZWHOSZVETMA-KRWDZBQOSA-N 360.435 2.498 0 3 FEAF O=C(c1ccncc1)N1CC[C@](O)(c2ccccc2)[C@H](N2CCCC2)C1 75403488 WNMDCRZRVJRHMZ-CTNGQTDRSA-N 351.450 2.280 0 1 FEAF CN1CCC(N(Cc2ccncc2)C(=O)COC[C@@H]2CCCCO2)CC1 77457111 BMIZJAFNCPJXEH-IBGZPJMESA-N 361.486 2.090 0 1 FEAF Cc1noc([C@H]2CN(C(=O)c3n[nH]c4ccccc34)CC23CCOCC3)n1 75877080 KVEDORSJSMBGJS-CQSZACIVSA-N 367.409 2.291 0 1 FEAF CC(C)Cc1ccc([C@H](C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])cc1 40881324 GGRHCGFYZFFSLC-LBPRGKRZSA-N 370.358 2.317 0 1 FEAF Cc1c(N2CC[C@H]3C[C@]3(N)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12 1911574165 XCMLBGXZRPIXHP-RBZFPXEDSA-N 356.445 2.170 0 1 FEAF COc1cc(C(C)=O)ccc1OC[C@@H](O)CNCc1ccc2c(c1)OCO2 1911586604 SEEFIFSYPVHTCY-INIZCTEOSA-N 373.405 2.156 0 1 FEAF CCN(Cc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O)C(C)=O 49035029 IAGKCWZVZKRGBW-UHFFFAOYSA-N 355.442 2.306 0 1 FEAF O=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCC[C@@H](O)C1 84632923 AARFFAMWQJWKGQ-CQSZACIVSA-N 369.446 2.424 0 1 FEAF COc1ccc(C[C@H]2CCn3cc(nn3)COC[C@H](C(C)C)NC2=O)cc1 95898403 BUJNRAADAGIHRJ-VQIMIIECSA-N 372.469 2.207 0 1 FEAF COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(OC)c(O)c3)oc2c1O 238744644 FHAAHWIVVJHFLS-UHFFFAOYSA-N 362.290 2.005 0 1 FEAF O=C(c1n[nH]cc1Br)n1ncc2ccc(Cl)cc2c1=O 587651743 YAXHPTDEVRIOJH-UHFFFAOYSA-N 353.563 2.224 0 1 FEAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(C)c1cc[nH]n1 963146864 OQFSMSXZTZFNGB-HWPZZCPQSA-N 364.427 2.376 0 1 FEAF COC(=O)c1cccc2cc(CCc3c(O)nc(O)nc3C(=O)O)ccc12 1772648053 CPFYAVLOGTUMSK-UHFFFAOYSA-N 368.345 2.311 0 1 FEAF Cn1ccnc1CN1C[C@H]2[C@@H](C1)OC(=O)N2CCCc1ccc(F)cc1 11936375 SUNGMPKKSWEAAJ-DLBZAZTESA-N 358.417 2.197 0 1 FEAF O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cc(F)cc(F)c1 13612291 JBSJPTBIICCQGX-UHFFFAOYSA-N 357.272 2.115 0 1 FEAF CC(C)(C)CC(C)(C)NC[C@@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2 169319462 KFGVTGYQHZQTHM-NXHRZFHOSA-N 365.514 2.051 0 1 FEAF COc1ccc(CNC(=O)c2[nH]c(-c3ccc(F)cc3)nc(=O)c2O)cc1 205687983 GODVCPDAEMPHTG-UHFFFAOYSA-N 369.352 2.220 0 1 FEAF COc1cccc(CNCC2(COc3ccccc3)C[C@H](O)[C@@H](O)C2)c1 2356298629 PPWMXSMPOOVBQL-PMACEKPBSA-N 357.450 2.366 0 1 FEAF COC1=C(O)CCC([C@@H]2c3cc(O)c(OC)cc3C[C@H](CO)[C@@H]2CO)=C1 2356368018 KJIONTCDDJOZNE-IAMHBRQHSA-N 362.422 2.394 0 1 FEAF Nc1ncnc2c(CN3C[C@@H](O)[C@@H](CSCc4ccccc4)C3)c[nH]c12 28469574 DIGGNILBPCEZIV-HZPDHXFCSA-N 369.494 2.266 0 1 FEAF N[C@@H]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1 113651594 PIKDFAHBMFJENX-GFCCVEGCSA-N 356.817 2.172 0 1 FEAF CN(C)C[C@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1 29125906 LHQFZQWLXWONER-ZDUSSCGKSA-N 369.450 2.024 0 1 FEAF Nc1ccnc(N2CCC(NC(=O)[C@@H]3CCCO3)(c3ccccc3)CC2)c1 40430236 GVOROESSOVMDMF-SFHVURJKSA-N 366.465 2.455 0 1 FEAF CC(C)[C@@H](N)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O 27733169 RKSYQYJUGAQEGE-RBUKOAKNSA-N 370.449 2.361 0 1 FEAF COc1cc2c(cc1O)[C@@H]1Cc3cc(O)c(OC)c(O)c3C(=O)N1CC2 14715574 IRNXYPHDSIOERM-LBPRGKRZSA-N 357.362 2.116 0 1 FEAF biogenic CS(=O)(=O)c1cccc(-c2ccccc2C(=O)NCC2CCNCC2)c1 49051148 YDLHHEGFZAJTOU-UHFFFAOYSA-N 372.490 2.487 0 1 FEAF Cc1nc(-c2cnc(N)nc2)cc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 221282270 UNSGVAQYHNHOOX-HNNXBMFYSA-N 360.421 2.454 0 1 FEAF CC(C)N1CCN(C(=O)OC2CCN(c3cc(C#N)ccn3)CC2)CC1 143396456 APISKTFLJZRFMB-UHFFFAOYSA-N 357.458 2.085 0 1 FEAF Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)n1 257201307 AHCOWQDUOIWEKK-ZDUSSCGKSA-N 352.398 2.176 0 1 FEAF COc1ccc(OC)c(Oc2ccc3nnc(-c4cnn(C)c4)n3n2)c1 299835964 XDHMQNKAYYPGFE-UHFFFAOYSA-N 352.354 2.334 0 1 FEAF CCOC(=O)[C@@H]1CN(CC)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587435608 GXEPYTQKXMDXAW-SIFCLUCFSA-N 359.422 2.086 0 1 FEAF CCOC(=O)c1cc(Br)c2[nH]c(COCC(=O)O)nc2c1 587562791 FXOQOSCIRGKTES-UHFFFAOYSA-N 357.160 2.103 0 1 FEAF CC(C)c1nn(C)c2c1[C@@]1(NCC2)C(C(=O)O)=CN(C)c2ccccc21 962923350 YUEKUCJOEUXRCA-FQEVSTJZSA-N 352.438 2.351 0 1 FEAF O=S1(=O)[C@@H](F)CCN1C[C@H](O)Cn1c2ccccc2c2ccccc21 206912430 RVQVMQYSHGPVLW-SCLBCKFNSA-N 362.426 2.487 0 1 FEAF CC(=O)NCCCCN(CCCNC(C)=O)C(=O)OCc1ccccc1 5602263 APNKRDQJXIDFOC-UHFFFAOYSA-N 363.458 2.068 0 1 FEAF Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCCN1CCCC[C@@H]1C)O2 5069915 NLAGBQUFKUYVAV-MAUKXSAKSA-N 359.470 2.465 0 3 FEAF CCOC(=O)CNC(=O)Cc1ccc2c(c1)OCc1ccccc1C2=O 169322577 QCJZAPXWXWYASK-UHFFFAOYSA-N 353.374 2.032 0 1 FEAF CN1C[C@H](NS(C)(=O)=O)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 2356301065 SSPFDGHYSIVLSZ-CVEARBPZSA-N 372.450 2.184 0 1 FEAF Cc1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 4223102 ZYECGCRLWLBAIN-CUFDPUGPSA-N 374.466 2.153 0 1 FEAF COC(=O)N[C@@H](c1ccccc1)[C@]1(C(=O)OC)C(=O)Cc2ccccc21 8689927 OTDVNARADACAMG-FXAWDEMLSA-N 353.374 2.320 0 1 FEAF O=C(CNc1c(Nc2ccc3nnsc3c2)c(=O)c1=O)c1ccccc1 101662818 WCFGDENFMNWOTK-UHFFFAOYSA-N 364.386 2.326 0 1 FEAF CC(C)N1CC[C@@H]2CN(S(=O)(=O)c3ccccc3)CC[C@H]2CC1=O 2356816208 CZBNLFXSRPALSY-JKSUJKDBSA-N 350.484 2.344 0 1 FEAF CCOCCOc1cccc(-c2nc(N)[nH]c(=O)c2Br)c1 29549221 RUGYFOOEFABCJN-UHFFFAOYSA-N 354.204 2.197 0 1 FEAF O=C(Cn1nc2ccc(Cl)cc2n1)NC[C@@H]1CCCN2CCCC[C@H]12 34136558 BKXNNTDCBCXDJR-SUMWQHHRSA-N 361.877 2.465 0 1 FEAF COc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H](CC(C)(C)O)C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 40651005 BTDCAZOVYZIULV-UZAGAAKASA-N 373.493 2.112 0 1 FEAF COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(N)=O)C(C)C)cs2)c1 82082329 PJVATZWJSGUARC-AWEZNQCLSA-N 363.439 2.067 0 1 FEAF CCCNCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 96933964 PJVMLLVDDLGFHU-UHFFFAOYSA-N 356.451 2.414 0 1 FEAF CN(Cc1nc2ccccc2s1)C(=O)C[C@@H]1NNC(=O)[C@H]2CCCC[C@H]12 618014994 HUBCVZXGQCMXIB-YDHLFZDLSA-N 372.494 2.454 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CS(C)(=O)=O)N1 587850484 QKWQLDFAHRHNPT-AMIZOPFISA-N 350.253 2.382 0 1 FEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(F)c(F)c2[nH]1 586957572 BSQQYJOKLUCHKB-OAHLLOKOSA-N 353.350 2.310 0 1 FEAF N=c1[nH]cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)nc-2[nH]1 587002058 SHYMLVYSMBCJDG-UPHRSURJSA-N 374.198 2.421 0 1 FEAF CNc1nccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587745951 XTVHGIXPQYVTNR-RTHLEPHNSA-N 351.223 3.044 0 1 FEAF COc1cc(/C=C\c2nc3c(O)nc(N)nc3[nH]2)ccc1Br 586976193 DXUKOLDBOITYCO-HYXAFXHYSA-N 362.187 2.582 0 1 FEAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCCC=C2C(=O)N2CCCCC2)cc1 13493960 FLBLJJYXOCGREY-QGZVFWFLSA-N 368.481 2.326 0 1 FEAF CC[C@@H](C)CN1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1 13743355 YZNGBSJDRHHBLM-SECBINFHSA-N 366.259 2.383 0 1 FEAF O=C(NCC1(O)CCN(CCc2ccccc2)CC1)c1ccccc1O 3643957 FBKOVPOKPNLHEK-UHFFFAOYSA-N 354.450 2.192 0 1 FEAF CCCSc1cccc2c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cccc12 28825534 YFQIVRWTCZUYEX-RNJTYBCJSA-N 350.436 2.160 0 1 FEAF CCCCCCN1C(=O)COC[C@H](NC(=O)OCc2ccccc2)C1=O 29045348 HKMOJQQODBAYPV-INIZCTEOSA-N 362.426 2.247 0 1 FEAF Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2[C@@H](O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100520326 RMTYNAPTNBJHQI-BORJPKMPSA-N 366.483 2.169 0 1 FEAF in-man O=C(NC1CCN(CCCN2C(=O)COc3ccccc32)CC1)C1CCC1 64564743 JMDZEJLSQGLSQJ-UHFFFAOYSA-N 371.481 2.183 0 1 FEAF Cn1cnc(NCc2ccncc2)c1C(=O)NCc1ccc2c(c1)OCO2 28889793 VRPBUANPRQENCR-UHFFFAOYSA-N 365.393 2.086 0 1 FEAF CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C[C@@H](Cc1ccccc1)C(=O)O 2356790526 FRMDSQRXQVVKNU-MJGOQNOKSA-N 369.417 2.342 0 1 FEAF O=C(N[C@@H]1CNCCC[C@@H]1O)c1ccc(OCc2ccc(F)cc2)cc1 2356876539 ZLSCFMVMILXQQM-MOPGFXCFSA-N 358.413 2.247 0 1 FEAF Clc1nc(OCc2cn(Cc3ccccc3)nn2)nc(N2CCCC2)n1 1911581169 JAMGXUJTALDXFB-UHFFFAOYSA-N 371.832 2.344 0 1 FEAF O=C(O)c1cc2cc(Br)cc(C(=O)NC3CCNCC3)c2o1 71294600 PNUBPTASESEHNH-UHFFFAOYSA-N 367.199 2.375 0 1 FEAF CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2F)CCCCC3=O)C(=O)O1 40754005 XOSNHLVOQSPYDB-JTQLQIEISA-N 352.337 2.335 0 1 FEAF Cc1c(OCCN2CCCCC2)ccc2c(N3CCNCC3)cc(=O)oc12 49942638 WTIPLKOHVPJLSM-UHFFFAOYSA-N 371.481 2.376 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)CC2CC2)cc1 95895632 QHKKTSVDENPXAS-CUJXTQPPSA-N 356.466 2.311 0 1 FEAF C[C@H]1[C@H](C)[C@@H](C)[C@@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@H]1C(O)O 95626106 DCVIOAHIQDCAHO-RRVJPPFMSA-N 364.438 2.257 0 1 FEAF in-man CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1nccs1)C2 95794664 LJZMEIMDYJOHJD-MAUKXSAKSA-N 357.479 2.094 0 1 FEAF c1csc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCC5CC5)CO[C@H]34)n2)c1 36368472 YJZZZDLUMVTNJY-XOSAIJSUSA-N 358.467 2.151 0 1 FEAF biogenic CO[C@@H]1CC[C@@H](c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)CCC1=O 299805128 WVXAUICBQMLGGS-VDZJLULYSA-N 374.437 2.390 0 1 FEAF Clc1ccc2c(NCc3cn(CCN4CCOCC4)nn3)ccnc2c1 473084167 QRLCKWDDVGHGQQ-UHFFFAOYSA-N 372.860 2.424 0 1 FEAF COc1cccc2c3c(cnc12)CCN[C@]3(CS(C)(=O)=O)C(F)(F)F 963049124 AMRQNOLQKCLZKX-HNNXBMFYSA-N 374.384 2.191 0 1 FEAF O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)N(CCCc2ccccc2)C1 15674036 SDOSVHPGLPKBRY-WBVHZDCISA-N 351.410 2.267 0 1 FEAF biogenic COCCOc1n[nH]c2cc(NC(=O)NCc3ccc(F)cc3)ncc12 209384424 VIDAMSDRXRHYDZ-UHFFFAOYSA-N 359.361 2.444 0 1 FEAF C=C1C(=O)O[C@H]2CC(CO)=CCCC(COC(=O)[C@@H](C)[C@H](C)O)=CC[C@H]12 253638300 JTFXNPPZNWSQAJ-KYABYICQSA-N 364.438 2.063 0 1 FEAF O=S(=O)(C1=C[C@@H](S(=O)(=O)c2ccccc2)COC1)c1ccccc1 1617491 IUGGSBVJLLQNOV-MRXNPFEDSA-N 364.444 2.217 0 1 FEAF Cc1nc([C@H]2CCCN(C(=O)[C@H]3CC(=O)OC34CCCCC4)C2)cc(=O)[nH]1 23153368 UHDSVMZVOPEHNZ-LSDHHAIUSA-N 373.453 2.050 0 1 FEAF O=C1Nc2ccc(C=Cc3ccc(O)cc3)cc2C(=O)N2C[C@@H](O)C[C@@H]12 2356314379 FESHBJMOZADKSM-YJBOKZPZSA-N 350.374 2.090 0 1 FEAF N=C(N)c1ccc(N2CCN(c3ccc(CCC(=O)O)cc3)CC2)cc1 29320653 BSPHRVJKGKZMED-UHFFFAOYSA-N 352.438 2.314 0 1 FEAF NS(=O)(=O)Oc1ccc(-c2cccc(Cn3cncn3)c2)cc1Cl 35328452 KNULFZXZLBIFJX-UHFFFAOYSA-N 364.814 2.229 0 1 FEAF COc1cc(F)c([C@H](OC)C(=O)NCc2ccc(C(=N)N)cc2)c(F)c1 73280080 JTJUXSOSQVMAOI-INIZCTEOSA-N 363.364 2.261 0 1 FEAF COc1cc2c(cc1OC)[C@H]1C[C@@H](N)[C@H](N3CCCCCC3=O)CN1CC2 45347169 HNCSYKUUKHXRCJ-KZNAEPCWSA-N 373.497 2.105 0 1 FEAF COc1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3cccnc3)C(=O)O2)cc1 40894750 YNVMEESJFVULDO-CPYXBQISSA-N 369.373 2.009 0 1 FEAF NC1=N[C@@]2(CO1)c1cc(-c3cncnc3)ccc1OC1(CCC1)C21COC1 220712650 APMDRJOSPMXZBV-FQEVSTJZSA-N 364.405 2.016 0 1 FEAF CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)C)[C@@H](C)CN(C)C2=O 95661663 MYMBASSDCIJSQK-XJKSGUPXSA-N 362.474 2.247 0 1 FEAF O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2C[C@H]2[C@@H]1C2(Cl)Cl 299814422 GSRVKLGURKHDPG-CYDGBPFRSA-N 350.205 2.276 0 1 FEAF CN1CCN(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587593549 KEWSBEFOHZXDQX-WIYYLYMNSA-N 368.433 2.360 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(Cc3ccccc3)C[C@H]1C(=O)O)O2 587393381 HLXLEHXNQOPKTB-HRAATJIYSA-N 366.417 2.498 0 1 FEAF Nc1nc(Cl)c2[nH]c(-c3cccn4c(Br)cnc34)nc2n1 587007858 TZIMQKVYFJTTSU-UHFFFAOYSA-N 364.594 2.666 0 1 FEAF Cn1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1C(F)(F)F 587651327 HDZBEFDMFMOBSR-UHFFFAOYSA-N 356.691 2.491 0 1 FEAF Cc1ncc(N)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1 222057492 OVOJXRQHVOXDRA-UHFFFAOYSA-N 370.453 2.429 0 1 FEAF CC(=O)[C@H]1[C@@H](c2ccc(OC(F)F)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 12377544 RBFZONRYEOTPMK-CWSCBRNRSA-N 368.258 2.098 0 1 FEAF c1ccc2c(c1)OC[C@@H](CN1CCN(c3cccc4c3OCCO4)CC1)O2 13738299 OXYYVVAPCYJQBT-MRXNPFEDSA-N 368.433 2.420 0 1 FEAF CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(C)cc2)C1 3008196 LOORIWOIMSXYQY-KRWDZBQOSA-N 352.500 2.106 0 1 FEAF C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCOCC4)cc3n21 27525261 SFHOGQGHJGUGAL-QMMMGPOBSA-N 350.371 2.300 0 1 FEAF CNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(OC)cc1 114343574 ZJKRQNYRWHKMJV-MRXNPFEDSA-N 351.410 2.110 0 1 FEAF CCCn1c(=O)c2nc([C@H]3CCCC[C@H]3C(=O)O)[nH]c2n(CCC)c1=O 29548346 SNLPCMKKVDHGMR-NWDGAFQWSA-N 362.430 2.065 0 1 FEAF C[C@H](C=C[C@](C)(O)C(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C 2356573346 KJLCZLBABYCKPW-ORRVGVCYSA-N 364.482 2.494 0 1 FEAF C[C@H](CN1CCCCC1)OC(=O)[C@H]1CCCCN1C(=O)C(=O)C(C)(C)C 25967929 PCLCTMUJJXNFHF-HZPDHXFCSA-N 366.502 2.400 0 1 FEAF CC(=O)OCC=C(C)C[C@@H](O)C=C(C)[C@H](O)CC=C(C)COC(C)=O 2356773195 SSUOGNQKOGHQIV-RTBURBONSA-N 354.443 2.454 0 1 FEAF CC(C)(C)N(CCO)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1 28119247 SNZFPJKJRMLBIT-UHFFFAOYSA-N 351.834 2.171 0 1 FEAF CNC(=O)c1cc(C(=O)NCCOC)cc2c1O[C@H](C)[C@H]2c1ccccc1 1911582546 GZJPFVGFRGYSAO-ACJLOTCBSA-N 368.433 2.335 0 1 FEAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CC(CO)C3)c2cn1)c1ccccc1 210788734 SPEIMLXBFNKIJL-GFCCVEGCSA-N 366.425 2.269 0 1 FEAF COc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)c1 74377288 JITLAPCUTSRKRQ-IAGOWNOFSA-N 358.419 2.119 0 3 FEAF C[C@]1(F)CCC[C@H]1Nc1c(C(N)=O)cnn2cc(N3CCCC3=O)cc12 146126689 YZKHTERFMCPLDP-KDOFPFPSSA-N 359.405 2.253 0 1 FEAF COc1cccc2c1CCN1C(=O)CN=C(c3ccnc(N(C)C)c3)C=C21 149055636 HJEGPJHAJJGFFI-UHFFFAOYSA-N 362.433 2.385 0 1 FEAF Nc1nc2ccccn2c1C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc[nH]1 299868651 SAGDZFLEDDXUHJ-INIZCTEOSA-N 373.416 2.469 0 1 FEAF CCCc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1 653705963 GTUTZABHNNYXKF-UHFFFAOYSA-N 369.446 2.499 0 1 FEAF COc1cc2c3c(c1)O[C@H](CCCNC(=O)C1CCOCC1)[C@@H](C2)C3=O 587426795 BBXCVHAQUYMTFI-HZPDHXFCSA-N 359.422 2.134 0 1 FEAF COC(=O)[C@@H]1C[C@@]2(CCN1)N[C@H](C)Cc1ccc(F)c(Br)c12 587793887 OEEHWZQEGCBLDD-RCAYSMOQSA-N 371.250 2.243 0 1 FEAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cncnc2[nH]1 586945997 PESYFZJXSBQDOD-UHFFFAOYSA-N 361.408 2.153 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(COC(=O)C(C)(C)C)nn1)O2 587391240 LVMGNBCKJANKTC-HNNXBMFYSA-N 358.398 2.422 0 1 FEAF C[C@@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)NCCc2ccc(O)cc21 963342690 RWQAGDYWOUNIDV-IBGZPJMESA-N 352.394 2.364 0 1 FEAF CC1=CC[C@H]([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)[C@@H](C)C1 963217512 GPCYYTYLNOYOOF-XRDYDQJJSA-N 354.454 2.201 0 1 FEAF CN(CC(=O)O)c1ncc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cn1 963108284 ONMQDTDYTYNGAK-MAUKXSAKSA-N 356.401 2.246 0 1 FEAF O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)c1ccc(F)cc1 5571763 ZUAXSRXNGGFKLO-UHFFFAOYSA-N 367.384 2.199 0 3 FEAF Cc1cc(C)c(S(=O)(=O)N2CCN(C3CCN(C)CC3)CC2)c(C)c1 1857610472 OMVDLGHWQDTEIF-UHFFFAOYSA-N 365.543 2.012 0 1 FEAF CC(=O)c1cccn1[C@H]1C[C@@H](Cc2cn(Cc3ccccc3)nn2)OC1=O 1857646630 BAWGTMFKNSVSEE-MJGOQNOKSA-N 364.405 2.430 0 1 FEAF COc1cc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc(OC)c1 922352 SYEWAJWZVFDQKG-UHFFFAOYSA-N 357.345 2.135 0 3 FEAF N=C(N)c1cccc(OCC(=O)Nc2ccc(C(=O)N3CC=CC3)cc2)c1 3815607 AQHKNARBXVSNNB-UHFFFAOYSA-N 364.405 2.000 0 1 FEAF O=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1F 4569527 ABOOMHCZZLXFSO-GFCCVEGCSA-N 368.455 2.470 0 3 FEAF O=C(Nc1ccc2c(c1)OCCO2)c1noc2ncnc(N3CCCC3)c12 20993716 KQIXWTGTBJUASH-UHFFFAOYSA-N 367.365 2.242 0 1 FEAF CCn1c(SCC(=O)N2CCOCC2)nc2c3ccccc3nc-2c1O 101971336 AJPLAJVITXZUQR-UHFFFAOYSA-N 372.450 2.213 0 1 FEAF C[C@@H]1C(=O)[C@H](O)[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@]1(O)CCc1ccoc1 2356443458 MWRCOENTYGAOSI-FNOHPODOSA-N 350.455 2.326 0 1 FEAF C[C@@H]1CC[C@H]2[C@H]3CC(=O)[C@@H](Cn4cnc5[nH]c(O)nc5c4=O)[C@@]13CC2(C)C 2356786560 AWGDSXSZEPCQQP-DOTXJJKCSA-N 370.453 2.493 0 1 FEAF C1=C2OCO[C@@H]2C[C@H]([C@@H]2OC[C@@H]3[C@@H]2CO[C@@H]3[C@@H]2CC[C@@H]3OCO[C@@H]3C2)C1 2356823777 GOSCVQNXHKJPRS-VCVRFYAXSA-N 364.438 2.225 0 1 FEAF O=C(O)c1cc(CN2CCC(n3cccn3)CC2)c2ccccn2c1=O 66073595 ZMCIOPYNVRXOPA-UHFFFAOYSA-N 352.394 2.031 0 1 FEAF CCNC[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 34152766 ITOFRIWHUYCDAO-LLVKDONJSA-N 374.416 2.005 0 1 FEAF CCn1cc(S(=O)(=O)N[C@H]2CCCN(CC3CCCCC3)C2)cn1 72150407 KLFYYKYSPQIWGY-INIZCTEOSA-N 354.520 2.226 0 1 FEAF CCOc1ccc(CCOc2ccc(NC(=O)[C@@](C)(N)CO)cc2)cc1 40892671 QSKNYEZDYBYUKI-FQEVSTJZSA-N 358.438 2.355 0 1 FEAF COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(N)=O)C(C)C)cs2)c1 82082330 PJVATZWJSGUARC-CQSZACIVSA-N 363.439 2.067 0 1 FEAF NCCOC(=O)c1ccc(CNC(=O)c2coc(-c3cccs3)n2)cc1 82081834 IGXFGKIULHFYSS-UHFFFAOYSA-N 371.418 2.449 0 1 FEAF COc1cc([C@@H]2NC(=O)NC(C)=C2C(N)=O)ccc1OCc1ccccc1 96927463 VMNJNDLKZPNISE-SFHVURJKSA-N 367.405 2.387 0 1 FEAF COc1cccc(N2C(=O)N[C@H]3CCN(C(=O)c4cccs4)[C@@H]3C2=O)c1 25229162 UQWXJPFKVHBDCW-ZFWWWQNUSA-N 371.418 2.096 0 1 FEAF biogenic COc1ccc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cn1 299841477 ZZDDSJQCHASOIC-UHFFFAOYSA-N 367.413 2.199 0 1 FEAF CS(=O)(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1 586950620 KEZDGEJQTCYIBN-UHFFFAOYSA-N 356.407 2.486 0 1 FEAF O=C(O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O 587940715 KVWSMQLJQSEAOP-UHFFFAOYSA-N 364.155 2.221 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@@H]32)N1 587792998 JFOLVMJPCFSCFQ-ICXGPGHLSA-N 369.234 2.010 0 1 FEAF C[C@@H](Oc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1)C(=O)O 962903146 SZFFESZHHRZAKG-TYFHEEPYSA-N 359.353 2.366 0 1 FEAF O=C1C[C@H](C(=O)O)Nc2cc(Cl)cc(I)c21 13455144 PFABOWHTRBDUCE-SSDOTTSWSA-N 351.527 2.396 0 1 FEAF N[C@H]1C[C@H]2CC=Cc3c(c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c34)N2C1 113155596 XCMXGAWVDBMBMG-CMPLNLGQSA-N 369.396 2.497 0 1 FEAF Cn1c(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc2cccnc21 1485031 VJRCELWLZGOZTR-CQSZACIVSA-N 368.418 2.441 0 1 FEAF CCCCN1CC(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O 2145800 NNSUYFGETQNLKR-HXUWFJFHSA-N 355.438 2.419 0 1 FEAF biogenic Cc1ccc(-c2n[nH]c3c2CN(c2ncc(F)c(NCCO)n2)CC3)cc1 23581462 XWUVNRILUYYNMP-UHFFFAOYSA-N 368.416 2.281 0 1 FEAF Cc1nc2c(CCF)c(Cn3ccnc3-c3ncccc3F)ncn2n1 142209090 UAKRHCWTKNPJAW-UHFFFAOYSA-N 355.352 2.391 0 1 FEAF NS(=O)(=O)c1c(F)c(F)c(NCCc2ccc(O)cc2)c(F)c1F 95587096 DBTMJCTWNCXRQA-UHFFFAOYSA-N 364.320 2.251 0 1 FEAF CC(C)c1n[nH]c2c1CN(c1cncc3sc(C(N)=O)c(N)c13)CC2 621430210 MPBYJPQGWAAKBI-UHFFFAOYSA-N 356.455 2.387 0 1 FEAF COc1cc([C@@H]2c3cc(OC)c(OC)cc3C[C@@H](CO)[C@@H]2CO)ccc1O 85859094 PDWZFAROGANMAJ-WDUKFBBWSA-N 374.433 2.323 0 1 FEAF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CS(C)(=O)=O)N1 587849462 LVKCAIDAWYKWKN-AMIZOPFISA-N 350.253 2.382 0 1 FEAF CCOC(=O)Cc1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 586966865 PMSRHPPONYPNPX-UHFFFAOYSA-N 360.395 2.162 0 1 FEAF COc1cc2c(cc1OC)[C@](C)(CO)N(C(=O)c1ccccc1N)CC2 963151700 YDHBRADWDHWOOA-FQEVSTJZSA-N 356.422 2.192 0 1 FEAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CNC3)c2cn1)c1ccccc1 1772598907 OUWSPIRAHWFEEU-LLVKDONJSA-N 351.414 2.224 0 1 FEAF COc1cc([C@H](C)Nc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC 5890156 XYFUGBCTVUPCML-VIFPVBQESA-N 370.413 2.388 0 1 FEAF O=C1CCN(Cc2ccc(O)cc2)CCN1[C@H](CO)Cc1ccccc1 12474451 BUAMUIBQFXVYMV-IBGZPJMESA-N 354.450 2.030 0 3 FEAF O=C(c1cnccn1)N1CCn2nc(COc3cccc(F)c3)cc2C1 168076135 GNPWJRJUVZBQJJ-UHFFFAOYSA-N 353.357 2.047 0 1 FEAF Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 102245176 ROIWDFYDDLDZKE-IDCNUPLLSA-N 372.465 2.209 0 1 FEAF Cc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCCc1ccc(F)cc1 103230926 HGWXLMRDZPZHIF-UHFFFAOYSA-N 373.409 2.420 0 1 FEAF COc1ccc(CCNC[C@@H](O)COC(=O)c2ccc(C)cc2)cc1OC 25971515 WRRASIKGHQTERO-GOSISDBHSA-N 373.449 2.362 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O 2356562236 QVVXWHIDRKRPMO-BRFLTPSNSA-N 370.486 2.446 0 1 FEAF CNCc1cn(S(=O)(=O)c2ccco2)c(-c2cccnc2F)c1F 116578446 IMDIIZJAKYDTPO-UHFFFAOYSA-N 353.350 2.378 0 1 FEAF Cc1cc(-c2ccc(S(C)(=O)=O)cc2)c2c(N)c(C(N)=O)sc2n1 38620408 ONJBPNNGGRNSAX-UHFFFAOYSA-N 361.448 2.356 0 1 FEAF O=C([C@H]1C[C@@H](Oc2ccc(F)cc2)CN1)N1CCCN(C2CCC2)CC1 72181488 RKXDBMQRODRNSK-RTBURBONSA-N 361.461 2.022 0 1 FEAF O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc2cc3n(c2c1)CCCNC3=O 73240370 TWQIEMARYWIEFU-UHFFFAOYSA-N 359.389 2.325 0 1 FEAF CCCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)C[C@H](C)N2 82207004 UOSHVCHBNHRBLF-ZDUSSCGKSA-N 358.442 2.245 0 1 FEAF C=Cc1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N 45319048 SSHKNPUBWWFZGC-UHFFFAOYSA-N 367.497 2.298 0 1 FEAF C[C@@H](NC(=O)Nc1cc2[nH]nc(CS(C)(=O)=O)c2cn1)c1ccccc1 261101706 GLYLLIWYLASZRL-LLVKDONJSA-N 373.438 2.385 0 1 FEAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC(N)=O)cc1)[C@@H](C2)C3=O 587427656 FBOWIEPSVYVFNM-YWZLYKJASA-N 353.374 2.222 0 1 FEAF CCOC(=O)C[C@@]1(c2cc(C)nn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432904 SKWWGKRAPAKEJW-JLTOFOAXSA-N 370.405 2.333 0 1 FEAF C[C@H]1CCO[C@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)C1 586916545 AGSWZSOPADROIB-LRDDRELGSA-N 365.455 2.071 0 1 FEAF CN1[C@@H]2C[C@H](O)[C@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595617 PJACZMRDANBQKS-JRPXELPGSA-N 367.401 2.320 0 1 FEAF CN(CC(=O)N1CCO[C@@H](Cc2cccc(F)c2)C1)Cc1ccccn1 12447903 ARHPPWVPXTXBID-IBGZPJMESA-N 357.429 2.123 0 1 FEAF CNc1ccccc1C(=O)O[C@@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@]1(OCCCN21)[C@@H]35 169290837 DEVSVQLQYSWGQG-VCYWZVGSSA-N 364.445 2.401 0 1 FEAF CN(C(=O)Cc1ccccc1)n1cnn(CC(=O)OC(C)(C)C)c1=S 1637804 TWAYFGHIZOUKNJ-UHFFFAOYSA-N 362.455 2.093 0 1 FEAF CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N[C@H](C)Cc1ccco1 7006872 OBPNMNCNTOAUKD-SNVBAGLBSA-N 354.428 2.311 0 3 FEAF COc1ccc([C@@H]2[C@@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 26163897 GGHZFSBKUGDMDX-IAGOWNOFSA-N 359.378 2.170 0 1 FEAF COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@@H](O)[C@H]2O)cc1OC 85861842 VDDYRAREFDERAS-BRWVUGGUSA-N 362.378 2.249 0 1 FEAF CC(=O)n1cc([C@@H]2C=C(C(N)=O)O[C@H](OCCCCO)C2)c2ccccc21 95784307 DECFTTIZLVTCPR-KUHUBIRLSA-N 372.421 2.290 0 1 FEAF CC1=NN(CC(=O)Nc2ccc(I)cc2)C(=O)CC1 96271782 LFQQXAZIDQFKMO-UHFFFAOYSA-N 371.178 2.228 0 1 FEAF CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccn1 95570707 VLZSOFFJGXHIAQ-SLFFLAALSA-N 366.465 2.349 0 1 FEAF O=S(=O)(/C=C\c1nc2c(S)nc(S)nc2[nH]1)c1ccccc1 586924035 FMMUNYFTKNNZNK-SREVYHEPSA-N 350.450 2.375 0 1 FEAF O=C(O)[C@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1ccccc1 13807266 KENABUKLZKAHBP-HZPDHXFCSA-N 356.426 2.484 0 1 FEAF COC(=O)[C@H]1C[C@@]2(C)c3ccccc3N(S(=O)(=O)c3ccccc3)[C@H]2N1 203471042 MNCJEJTUUDHWAX-LZQZEXGQSA-N 372.446 2.014 0 3 FEAF CC(C)n1nccc1Nc1cc(O)cc(O)c1C(=O)N1Cc2c[nH]nc2C1 1857617482 MDAGUNYHEHRABH-UHFFFAOYSA-N 368.397 2.498 0 1 FEAF COc1ccc(OC)c(CCNC(=O)c2nc(-c3cccnc3)no2)c1 9405784 QKJOVXJYISVRNE-UHFFFAOYSA-N 354.366 2.121 0 1 FEAF S=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCOCC1)Nc1ccccc1 2356300060 ACAMIWCGVBLJJL-ZHALLVOQSA-N 374.554 2.016 0 1 FEAF CC=CCCC(=O)O[C@@H]1C=CC2=C[C@]3(O)OC(=O)C(CO)=C3C[C@@]2(C)[C@@H]1C 2356327658 GDSMAUZWNNFZJH-TWHMBJNJSA-N 374.433 2.331 0 1 FEAF CC(C)=CC(=O)O[C@@H]1CC(=O)[C@@]2(C)[C@@H]1[C@@H](C)C[C@@H]1OC(=O)[C@@H](C)[C@@H]1[C@H]2O 2356527414 GZJSYCISXGQHLT-CTPJWNRQSA-N 364.438 2.038 0 1 FEAF CN(CP(=O)(O)O)[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1 29252305 JVBPAGMYKVVYHD-INIZCTEOSA-N 373.353 2.218 0 1 FEAF CN(C)Cc1cc(C[C@@H]2CNCC[C@@H]2CC(=O)NC2CCCCC2)no1 2356870995 XWAGKXGMSGLAPM-HZPDHXFCSA-N 362.518 2.343 0 1 FEAF CC(C)NCC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccccc21 28765628 UYQLEELZZPYAKF-UHFFFAOYSA-N 359.451 2.488 0 1 FEAF CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 212175955 QGKQIOZFRJBQQL-UHFFFAOYSA-N 358.398 2.440 0 1 FEAF O=C(O)CCCCCC[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCCCCO 89456122 LDUBDFDZFOQXGF-DXVZSKTBSA-N 370.486 2.448 0 1 FEAF Cc1ccc(S(=O)(=O)N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1C 87723018 BSUIUCPEEGMUIW-KRWDZBQOSA-N 370.430 2.381 0 1 FEAF COC(=O)[C@@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@H]4CCN3C[C@@H]2[C@H](C)O[C@H]1O 238765405 KVUXCGFGKOCLAE-IRWKZIGKSA-N 370.449 2.093 0 1 FEAF C[C@@H](OC(=O)[C@H]1CC[C@H](CN)CC1)OC(=O)[C@H]1CC[C@](C)(CN)CC1 299845541 BLUUOESVKFGCAX-GMHRPJKWSA-N 354.491 2.339 0 1 FEAF COC(=O)[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617920 REQCACWMVJOMCK-ZSOFBXJNSA-N 370.357 2.302 0 1 FEAF Nc1ccc(-c2ccc3[nH]c(-c4cc(S(N)(=O)=O)c[nH]4)nc3c2)cc1N 586930474 ULQOJTCHUCHJMY-UHFFFAOYSA-N 368.422 2.037 0 1 FEAF CCN(c1ccc(-c2csc(CC(N)=S)n2)cc1)S(C)(=O)=O 587923058 LMWIIBULVUOVBS-UHFFFAOYSA-N 355.510 2.425 0 1 FEAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587935280 HOSRRGZELJLKKW-DIFFPNOSSA-N 350.382 2.384 0 1 FEAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2c1 586912282 VPMVRYUEYJZZJM-LBPRGKRZSA-N 365.455 2.450 0 1 FEAF Oc1nc(S)nc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc12 587119343 SUEOIEANYGDRAD-UHFFFAOYSA-N 356.333 2.488 0 1 FEAF Cc1[nH]c2cc(F)ccc2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O 587636969 RDQIWFBWDJQNAY-DLBZAZTESA-N 371.416 2.110 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN[C@H](C(=O)O)[C@H]31 586989328 FBNDXELCTUZXGH-VEDCQQKOSA-N 372.380 2.464 0 1 FEAF CCCS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)OCCO4)CC1 586951972 FDQUUXMBHCPGMJ-UHFFFAOYSA-N 365.455 2.253 0 1 FEAF C[C@]1(c2ccc(S(C)(=O)=O)c(F)c2)NCCc2c(C(=O)O)cccc21 963123400 OTWLRXIRDSMLJT-GOSISDBHSA-N 363.410 2.337 0 1 FEAF N#CN1CCC[C@](F)(C(=O)Nc2ccc(-c3ccnc4[nH]ncc34)cn2)C1 1857559808 MYEMZIOPYZVMGZ-GOSISDBHSA-N 365.372 2.244 0 1 FEAF CC[C@H]1Cc2cc(OCCO)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857773411 QFBHAXYVOFZJQS-LBPRGKRZSA-N 359.378 2.100 0 1 FEAF CC(C)(CNC(=O)Cc1ccccc1)NC[C@@H](O)COc1ccccc1 28756233 JILSHXRWMRYLNT-GOSISDBHSA-N 356.466 2.153 0 1 FEAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cnccn1 26377838 YENFXWWANAWKKS-GOSISDBHSA-N 357.373 2.022 0 1 FEAF COc1cc(CN2CCc3c(C)nc4ncnn4c32)cc(OC)c1OC 28009435 QRFBDXVAMLIXSY-UHFFFAOYSA-N 355.398 2.021 0 1 FEAF CN1CCc2cc3c(cc2C(=O)C[C@H]2C=CC4=C(OCO4)[C@H]2C1)OCO3 2356486148 GVARHZCAXDIZEL-DOMZBBRYSA-N 355.390 2.494 0 1 FEAF CN1CCc2cc3c(cc2C(=O)C[C@@H]2C=CC4=C(OCO4)[C@H]2C1)OCO3 2356486150 GVARHZCAXDIZEL-WFASDCNBSA-N 355.390 2.494 0 1 FEAF CCO[C@@]12C[C@@H]3[C@@H]4CCO[C@@H]5CC(=O)N6c7ccccc7[C@@]1(CCN42)[C@@H]6[C@@H]35 2356859019 SQERIZJQGWEYQJ-RQLMMNBXSA-N 366.461 2.289 0 1 FEAF CCOC(=O)Cc1cc(O)n2nc(NCc3cccc(Cl)c3)nc2n1 21178471 YKJXTAIQVJDUFT-UHFFFAOYSA-N 361.789 2.201 0 1 FEAF O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1CCC(=O)n1cnc2ccccc21)[C@@H]1C[C@H]31 195122632 NLRDWJJCYOHFLS-KUYMHIFUSA-N 361.401 2.120 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 82207758 TYKANTMROQEWMF-HJCLMNLKSA-N 366.502 2.159 0 1 FEAF NC(=O)c1ccc(N2CC[C@H](c3cccc(F)c3)[C@@H](N)C2)c2cncnc12 143594909 VISYXENNOBZZBT-PBHICJAKSA-N 365.412 2.189 0 1 FEAF Cc1cccc(N2CCN(c3cncc4sc(C(N)=O)c(N)c34)CC2)n1 621429275 VYWMMBJBZYIMKF-UHFFFAOYSA-N 368.466 2.007 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C[C@H](N)C(=O)O)cc1)O2 587390589 NXKKMWWSROOLOY-OXJNMPFZSA-N 354.406 2.412 0 1 FEAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c[nH]c(=N)[nH]c-3n2)cc1 587040604 OVGRJEDVRXGJEH-ZDUSSCGKSA-N 370.438 2.004 0 1 FEAF NS(=O)(=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 587164828 CEXDPXAJRSSHGR-UHFFFAOYSA-N 371.397 2.261 0 1 FEAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586962019 NPOMEXMWNSNOCI-SCSAIBSYSA-N 357.321 2.254 0 1 FEAF COc1ncc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cn1 1772599653 WHUKUNVNTIAHGT-UHFFFAOYSA-N 374.404 2.124 0 1 FEAF COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(F)cc3)C(=O)C[C@@H]12 206393296 SYVCWYHXKFSVIV-OAHLLOKOSA-N 368.364 2.440 0 3 FEAF COc1ccc(CN=c2[nH]nc(N3CCN(C)CC3)c3ccccc23)cc1 1857599453 DRGVMGPQIRJJKD-UHFFFAOYSA-N 363.465 2.424 0 1 FEAF COc1ccccc1CN(Cc1cccc(C)c1)C(=O)[C@@H](N)CC(=O)O 55166221 DMZLZYOGILFDBZ-KRWDZBQOSA-N 356.422 2.334 0 1 FEAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1CCC[C@H](O)[C@@H]1O 27102700 UMBMDDFTYGIXPG-GRZALLJUSA-N 367.453 2.316 0 1 FEAF CC=C1CN(C)[C@H]2C[C@@H]3[C@H](N[C@@H]4CCCC[C@H]34)C(=O)C[C@H]1[C@@H]2C(=O)OC 2356486704 AYJGPXFEPLVVNT-RPYXOJERSA-N 360.498 2.162 0 1 FEAF NC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccccc2)O3)c1 61902291 NRHCDOUVUTVQGN-IBGZPJMESA-N 373.412 2.467 0 3 FEAF CC=C1CO[C@H](O)[C@]2(C(=O)OC)[C@@H]1CC1=NCCc3c1n2c1ccccc31 2356613701 VERVUAYOVAQZHF-GQWLDOHISA-N 366.417 2.170 0 1 FEAF C[C@]1([C@H](O)CO)CC[C@H]2C(=CC[C@@H]3[C@](C)(C(=O)O)[C@@H](O)CC[C@@]32C)C1 33834067 MEDUZUJSTHFNDY-BXUPJIGPSA-N 352.471 2.344 0 1 FEAF biogenic,in-vitro O=S(=O)(N[C@H]1CCN(CCOc2cccc(F)c2)C1)c1cccs1 95577863 BUGXDURAZFUGEK-AWEZNQCLSA-N 370.471 2.319 0 1 FEAF COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 96914129 GENVWLSAPICTPF-HNNXBMFYSA-N 356.422 2.472 0 1 FEAF CCOC(=O)[C@@]1(c2cccnc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428717 QHPRZOYPUAMPPJ-YJYMSZOUSA-N 357.337 2.435 0 1 FEAF O=C1COc2cc(Br)ccc2N1CCc1nc2ncc[nH]c-2n1 587003934 YHGZNCOYKUWFQZ-UHFFFAOYSA-N 374.198 2.035 0 1 FEAF COC(=O)[C@](C)(O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809082 QDXNUSIYKJDWCU-SVGYWBMUSA-N 360.223 2.262 0 1 FEAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 587249297 FTLXGZQRJIXAIL-UHFFFAOYSA-N 366.421 2.266 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 587230012 DQGZFBMGTRDAHX-GHMZBOCLSA-N 357.414 2.181 0 1 FEAF CCOc1n[nH]c2cc(NC(=O)N[C@@H](COC)c3ccccn3)ncc12 209316883 LRUIHFKWZZFPGG-AWEZNQCLSA-N 356.386 2.261 0 1 FEAF O=C(NCCN1CCCCCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 4101305 DTNVLXGFABWGAE-LJQANCHMSA-N 357.498 2.070 0 3 FEAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@@H]3CCC[C@@H]4[C@@H](O)C(C(=O)O)=C(C1)[C@@]342 2356370242 NZESTHCXDKJCAK-ZZRHZXCXSA-N 371.481 2.318 0 1 FEAF Cc1oc2c(c1C(=O)NCCCN1CCC(C)CC1)C1=NCCN1C=N2 100696001 JHGNOEYNWYEQJF-UHFFFAOYSA-N 357.458 2.175 0 1 FEAF CC=C1CN2[C@H]3C[C@@]45c6cccc(OC)c6N[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)OC 2356463132 PODPTPDMRYBSFN-VVFDFFBKSA-N 368.433 2.254 0 1 FEAF COc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(OC)cc1O)[C@H](OC)C2=O 2356653690 HYLPFFLBZZFVCL-ZWKOTPCHSA-N 362.334 2.152 0 1 FEAF O=C(O)Cc1ccc2c(c1)C[C@H](CNS(=O)(=O)c1cccs1)C2 27329295 KVZUBEJESFFPGR-GFCCVEGCSA-N 351.449 2.069 0 1 FEAF COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2ccc(O)c(O)c2)cc(OC)c1O 14646685 VVACDMRLZWJKNW-KBPBESRZSA-N 374.389 2.395 0 1 FEAF biogenic COc1c(O)ccc2c1[C@@]13CCN(CC4CC4)[C@@H](C2)[C@]1(O)CCC(=O)C3 36221223 QOEVQPWLYUDAHW-DZFGPLHGSA-N 357.450 2.163 0 1 FEAF N#Cc1cccc(-c2nccn2Cc2ncn3ncnc3c2CCCF)n1 137484642 WCDKKXLFPLVUMO-UHFFFAOYSA-N 362.372 2.205 0 1 FEAF C[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 82207126 ICXRASSUXFVIAF-CYBMUJFWSA-N 357.458 2.115 0 1 FEAF COc1ccc(N/C(=C/[N+](=O)[O-])NCCCn2cncc2C)c(OC)c1 147412580 PCLRPJYQKLMMKX-GZTJUZNOSA-N 361.402 2.376 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 618020238 OYPDCXPDWANQOV-UHFFFAOYSA-N 363.252 2.179 0 1 FEAF COc1cc(C[C@@H]2C(=O)O[C@@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 86048190 BTXZSJTULWTSJG-NJSLBKSFSA-N 374.389 2.180 0 1 FEAF biogenic CN(C)S(=O)(=O)c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 586917252 BBWKVZHIJZYSNM-INIZCTEOSA-N 359.407 2.326 0 1 FEAF Cc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2n1 587135894 RDPIKAVMHAPPOC-UHFFFAOYSA-N 356.329 2.162 0 1 FEAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(=O)OC)nc2[nH]1)C(C)C 586933436 RNLNLAFUJFGADV-CYBMUJFWSA-N 368.459 2.161 0 1 FEAF COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@@H](CN)Cc1ccccc1 1772629476 SBMIMRGGSPVOAG-QGZVFWFLSA-N 350.422 2.385 0 1 FEAF C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)[C@H](C)[C@H](C)O)C(C)=CCC[C@@]1(C)O[C@H]21 253668066 MPNJUHHXWPDZRT-VWVIAXNVSA-N 364.438 2.301 0 1 FEAF Cc1c(CC(=O)O)nn(Cc2ccc(Br)cc2F)c(=O)c1C 3783041 AELHTGPZSMCCHY-UHFFFAOYSA-N 369.190 2.437 0 1 FEAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCOCCO 4213621 BWTXJVUGVUDTEA-SJORKVTESA-N 352.431 2.419 0 1 FEAF CCCSc1cccc2cccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c12 28825535 MRVHOQGMJLKYGH-IUHNQTRMSA-N 350.436 2.160 0 1 FEAF COc1cccc(CNC(=O)COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)c1 101851964 ZYKFUACPZQAPFR-HUUCEWRRSA-N 359.422 2.250 0 1 FEAF CC(=O)O[C@@H](C)n1cnc2c(Cl)nc(I)nc21 27644328 FIXPNCHCPCXWMH-BYPYZUCNSA-N 366.546 2.166 0 1 FEAF CC(C)[C@@H](NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12)C(=O)O 27557559 USENGJSTUFPBKK-GFCCVEGCSA-N 367.199 2.339 0 1 FEAF CCCC[C@]1(CO)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)[C@@H]1O 194854475 BYBAPAFOQSJYFM-VQQSHHFHSA-N 373.493 2.201 0 1 FEAF COc1cc([C@@H]2OC[C@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@@]23O)ccc1O 238788919 WFZIOQOKIOIJHN-KJYZGMDISA-N 372.373 2.320 0 1 FEAF NC(=O)c1ccc2c3c(cccc13)C(=O)N(c1cccc(C(=O)O)c1)C2=O 621476349 DTDOHHGRBWEHSP-UHFFFAOYSA-N 360.325 2.438 0 1 FEAF Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)c(Cl)nc2[nH]1 586921762 MKYDGKTUGFNULS-UHFFFAOYSA-N 360.226 2.113 0 1 FEAF CCN1C(=O)C[C@@H](c2nc3c(O)nc(N)nc3[nH]2)[C@@H]1c1ccccc1Cl 587061109 KCJBUXSDLRUCLG-RNCFNFMXSA-N 372.816 2.371 0 1 FEAF Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2C[C@@H]1CCNC(=O)C1 1772581946 FQZWNMKPWCGUSW-SNVBAGLBSA-N 372.816 2.380 0 1 FEAF C[C@H](O)CCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 14817147 WTJYDBMHYPQFNJ-NIYHUWJASA-N 368.470 2.222 0 1 FEAF C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)[C@H](N)C(=O)N1CCSC1 14947730 ZYXUIWSHYKMKKF-UGSOOPFHSA-N 357.479 2.016 0 1 FEAF CCC1=C(O)CC(O)=C([C@H]2NN[C@H](C)[C@@H]2[C@@H]2N[C@@H]3CCCC[C@@H]3N2C)C1 169356131 HUFRUXGBKDWBPS-AVBSLCLYSA-N 362.518 2.468 0 1 FEAF COCCNc1[nH]c(=NCCCc2c[nH]c3ccccc23)[nH]c2ncnc1-2 1857620837 PUHGKXZSLBVMAA-UHFFFAOYSA-N 365.441 2.311 0 1 FEAF O=C(Cc1ccccc1Cl)NCCNC[C@@H](O)COc1ccccc1 28263496 PEFMYPBIKFUWCE-MRXNPFEDSA-N 362.857 2.028 0 1 FEAF CNC(=O)c1cn2c(-c3ccccc3)nc3c(NC)c(F)cc(c1=O)c32 101633313 HTKOBRXZRGYRAU-UHFFFAOYSA-N 350.353 2.493 0 1 FEAF Cc1[nH]c(C)c(S(=O)(=O)N2CCCC[C@@H]2C)c1C(=O)N1CCCC1 9684115 LVHOTEXAMRMHLI-LBPRGKRZSA-N 353.488 2.431 0 3 FEAF CC1(C)Oc2cc(O)c3c(c2[C@H](O)[C@H]1O)OC(c1ccc(O)cc1)=C[C@@H]3O 2356606250 ISGAAPAIOWRAOZ-WOVYWWTOSA-N 372.373 2.130 0 1 FEAF CO[P@](=O)(CNC(=O)OCc1ccccc1)N1CCC[C@@H]1C(=O)O 29407499 VTBOQJCOXGCMGX-YEBMWUKDSA-N 356.315 2.259 0 1 FEAF Nc1nc2cc(-c3nn(C4CCOCC4)c4ncnc(N)c34)ccc2o1 142419539 DSPUBRSXSQDQMB-UHFFFAOYSA-N 351.370 2.150 0 1 FEAF CC(C)(C)C(=O)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(C4CCCC4)n3)CO[C@@H]12 25432774 PXBSHLIIKXGHDN-LTIDMASMSA-N 374.485 2.243 0 1 FEAF biogenic COc1ccc2oc(I)c(CCNC(C)=O)c2n1 653810027 NWBKUGRLWVNDFE-UHFFFAOYSA-N 360.151 2.120 0 1 FEAF CCOC(=O)CC1(CC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439506 BFJDMMTYPVIMJG-CYBMUJFWSA-N 362.378 2.088 0 1 FEAF COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H](C)O)[nH]c3c2)cc1 586889768 GWTPESUXZATHLL-NSHDSACASA-N 361.423 2.296 0 1 FEAF CS(=O)(=O)c1c(F)cccc1[C@H]1c2ccsc2CCN1C(N)=O 962701243 AGLQNGDJXCHBJM-CYBMUJFWSA-N 354.428 2.317 0 1 FEAF Cc1nn(C)c(C)c1[C@]1(CN2CCOCC2)NCCc2cccc(Cl)c21 963389432 ABVMMNMCQNBFSM-FQEVSTJZSA-N 374.916 2.412 0 1 FEAF CS(=O)(=O)c1n[nH]c(-c2ccc3cc(Br)cnc3c2)n1 1857637534 IJJVMZSIHNBJKN-UHFFFAOYSA-N 353.201 2.186 0 1 FEAF CCO[C@@H]1OC(C(=O)O)=C[C@H](c2ccc3c(c2)OCO3)[C@H]1CCCO 13118592 WPDFJICCXXINJA-SNUQEOBHSA-N 350.367 2.249 0 3 FEAF CC1(C)Oc2cc(O)c3c(c2C[C@@H]1O)OC[C@@H](c1ccc(O)cc1O)C3=O 13416208 YBSZKJGFDYIZGI-LRDDRELGSA-N 372.373 2.237 0 1 FEAF endogenous,in-man C[C@H](N)[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 13589976 OEGKNKDDNROINP-QWRGUYRKSA-N 359.401 2.347 0 1 FEAF Cn1ncc(C(=O)N2CC[C@@H](Nc3cc(=O)[nH]c4ccccc34)C2)c1Cl 169351296 OTMVWDGFNKTIFN-LLVKDONJSA-N 371.828 2.242 0 1 FEAF O[C@@H]1C[C@H](c2cccnc2)[C@H](NCc2cccc(C(F)(F)F)c2)[C@H]1O 2356344344 GNMIALIRLDMPRE-NCOADZHNSA-N 352.356 2.468 0 1 FEAF Cc1c(N2CC[C@@H](CN)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3637752 VFTKROGUXCUSEX-NSHDSACASA-N 359.401 2.108 0 1 FEAF CNC(=N)N1C=C[C@@H]2CC[C@@H]3[C@H](O)C(C(=O)O)=C4C[C@H]5CC[C@H](C)[C@]43[C@]25C1 2356357533 SYMFDMQOTJVAQF-MBXPBIHHSA-N 371.481 2.174 0 1 FEAF CC(C)[C@H]1[C@@H](OC(=O)[C@H](C)[C@H](C)O)C[C@@H](C)[C@@H](O)CC=C2C[C@H]1OC2=O 2356425079 FFZUKRDLFPYGRN-HZYGORRSSA-N 368.470 2.220 0 1 FEAF COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5cc(O)ccc45)[C@H]3C[C@H]21 2356412275 MIUYYRGOYGWVDO-GQCSGYJFSA-N 370.449 2.353 0 1 FEAF Nc1nc(N)c2c(OCC3CCN(CC(F)(F)F)CC3)cccc2n1 62260402 OKOIUZSRDPYZNT-UHFFFAOYSA-N 355.364 2.447 0 1 FEAF CNC(=N)N[C@H](C)CCCC(=O)CC(=O)CCc1ccc(O)c(OC)c1 85627191 QFGPZIBQWYPDLH-CYBMUJFWSA-N 363.458 2.164 0 1 FEAF biogenic,in-vitro OCCCCNc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](O)CC2)n1 261165264 RTLVYUQCERXOJO-SHTZXODSSA-N 357.458 2.438 0 1 FEAF Cc1cc(=O)oc2cc(OC[C@H](O)Cn3nnc4ccccc43)ccc12 299835271 CVOCQUHWTKXCRA-CYBMUJFWSA-N 351.362 2.286 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CNCn3ccc(N)c32)N1 587765299 CBMOCWMBTLSUMN-ABKXIKBNSA-N 365.250 2.310 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C(=O)O)NC2)N1 587794293 LTRMMVRXAGGVGG-OTDPEBBPSA-N 357.223 2.154 0 1 FEAF COC(=O)c1ccnc2[nH]c(C3(C(=O)OC(C)C)CC(F)(F)C3)nc12 587131285 BZKJQZDCOAHWPH-UHFFFAOYSA-N 353.325 2.363 0 1 FEAF Cc1[nH]c2cc(F)ccc2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O 587636971 RDQIWFBWDJQNAY-IRXDYDNUSA-N 371.416 2.110 0 1 FEAF CN(C)S(=O)(=O)c1ccc(-c2nc3nc(Br)ccc3[nH]2)o1 586931879 OBUMMATXKNCFJY-UHFFFAOYSA-N 371.216 2.231 0 1 FEAF COc1cc(-c2ccc(C(=O)N3CCN(C)CC3)s2)cc(C=O)c1O 169699681 WVMCOCNWTMDDJU-UHFFFAOYSA-N 360.435 2.329 0 1 FEAF COc1ccc(C(=O)O[C@H]2C[C@H]3[C@H](OC(C)=O)C[C@@H](C2)N3C)cc1OC 165825383 KKSWMTSSEOMYMM-PNBKFKSVSA-N 363.410 2.027 0 1 FEAF Oc1ccc2c3c1O[C@H]1c4[nH]ccc4C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 100813648 AVZPNFQSUXLGJJ-IRNNPGBSSA-N 364.445 2.419 0 1 FEAF CO[C@@H]1O[C@@H](OC)[C@@]2(O)C1=C[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]12C 29042043 QWSNLCYZUAVRFO-GZXFCSGKSA-N 354.443 2.397 0 1 FEAF CCc1nc2c(OCC(N)=O)cccn2c1N(C)C(=O)c1cccs1 61927474 VNHBMERAMZNIAN-UHFFFAOYSA-N 358.423 2.099 0 3 FEAF CC(C)=CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2C(=O)CC[C@@H](C)[C@@]21C 2356761854 HZNWMULTMKCKLR-QEKNENKVSA-N 362.422 2.452 0 1 FEAF CSCC[C@@H](NC(=O)[C@@H](CSC(C)=O)Cc1ccccc1)C(=O)O 26494840 APSLPHCZBDVXPW-HUUCEWRRSA-N 369.508 2.448 0 1 FEAF Cc1cc(Nc2nn(C(C)C)c(=O)c3cc(S(C)(=O)=O)ccc23)n[nH]1 40394748 OBZDHAOQBXMXPM-UHFFFAOYSA-N 361.427 2.156 0 1 FEAF CC[C@H]1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](O)[C@H]1C 195086772 KRERBZWVTNUEMD-KANYHAFZSA-N 352.822 2.293 0 1 FEAF C[C@]12[C@@H]3C[C@]4(C)O[C@H](C5=CC(=O)O[C@@H]5O)C[C@]4(C)[C@@H]1CCC[C@H]2C(=O)O3 197396068 UCBJOPLCTYHIIH-BILAQHFASA-N 362.422 2.094 0 1 FEAF C[C@@]12OC[C@H]3O[C@]4(O)[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]4(CO1)[C@H]32 238736149 CJESTWPBFVQPRY-BUBFKRMMSA-N 362.466 2.360 0 1 FEAF CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 261169707 SQRMELSMCDEARL-IYARVYRRSA-N 372.513 2.224 0 1 FEAF Cn1cc(O)c(=O)cc1CNCCNc1ccnc2cc(Cl)ccc12 299840735 ZGYTWPGMMKYNBY-UHFFFAOYSA-N 358.829 2.494 0 1 FEAF CC(C)(C)OC(=O)NCCNc1ncnc2[nH]c3ccc(C(N)=O)cc3c12 653624598 GLPLPBYTLJFBHA-UHFFFAOYSA-N 370.413 2.147 0 1 FEAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@H]3C(=O)NC)nc2c1 587235632 PFCZAGGWYMTKHM-DTWKUNHWSA-N 366.215 2.352 0 1 FEAF O=S(=O)(c1ncccc1-c1nc2nc(Cl)c[nH]c-2n1)C(F)(F)F 587127616 ZPYAKGCAFSAWAI-UHFFFAOYSA-N 363.708 2.313 0 1 FEAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(F)cc2[nH]1 586939885 SXCFLEHMIWZGIW-ZETCQYMHSA-N 357.798 2.128 0 1 FEAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(N)c(N)cc4[nH]3)cc12 587037652 MDVBQXCCLBZRTC-QMMMGPOBSA-N 369.454 2.475 0 1 FEAF COC(=O)C(=O)C[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441609 GEAKCJXHBOAOAE-VFNWGFHPSA-N 366.369 2.470 0 1 FEAF COc1nccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587202134 FVQAJNCJPXSDCT-CYBMUJFWSA-N 370.365 2.409 0 1 FEAF COc1ccc2c(c1)C[C@@H](c1nc3cccc(S(N)(=O)=O)c3[nH]1)CC2 587946816 NHNUJJKEZKHABL-LBPRGKRZSA-N 357.435 2.491 0 1 FEAF CCOC(=O)[C@H](C)[C@@]1(c2ccco2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962896240 LQSJCZYXPPFMSF-SGJUXQJHSA-N 361.369 2.460 0 1 FEAF COc1cc([C@@H]2OC[C@@]3(O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O 14506000 CICMVLOHBZPXIT-RHMWYWNKSA-N 374.389 2.305 0 1 FEAF endogenous,in-man CCOC(=O)[C@H]1CCCN(C(=O)Nc2cn(C)c(=O)c3ccccc23)C1 6932045 VQUJITBUYFXRCS-ZDUSSCGKSA-N 357.410 2.346 0 1 FEAF CN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 6725235 PZZSKKKPOYHBAF-IAGOWNOFSA-N 357.479 2.336 0 1 FEAF Brc1ccc(Nc2nc(N3CCNCC3)nc3[nH]cnc23)cc1 53312397 IVYXADBEDBLONB-UHFFFAOYSA-N 374.246 2.269 0 1 FEAF CC(C)[C@@H]1CC[C@@H](C)[C@]23CC[C@@](C)(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@@H]2[C@@H]13 101554469 BKKOWVSRAGJQRQ-VXWYDIGFSA-N 368.514 2.318 0 1 FEAF C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 29333172 MDPGYFIGIJWUFG-ACJLOTCBSA-N 362.857 2.458 0 1 FEAF OC[C@H]1O[C@H](c2nc(-c3nc(-c4cccs4)no3)cs2)C[C@@H]1O 61906321 NFPUHUCMXMGNNF-LPEHRKFASA-N 351.409 2.105 0 3 FEAF CC(=O)OCC1=CC[C@H]([C@@](C)(O)CC=C[C@@](C)(O)COC(C)=O)CC1 2356779279 PWPSQCADOUKLOZ-OTWHNJEPSA-N 354.443 2.287 0 1 FEAF O=C1NCCN1c1ccc(S(=O)(=O)Oc2c(F)cccc2F)cc1 72110859 PCSOOHZNFLHWNJ-UHFFFAOYSA-N 354.334 2.262 0 1 FEAF Cc1cn2cc(NC(=O)c3ccc(N4CCNCC4)cc3)nc2c(C)n1 223409826 PIXNAEMAWWVCJF-UHFFFAOYSA-N 350.426 2.008 0 1 FEAF CNC(=O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 143419717 WNDHNDSMWMDKFH-UHFFFAOYSA-N 370.430 2.271 0 1 FEAF Cn1ccnc1COc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl 473153670 CBHVUTHBEDBHJJ-UHFFFAOYSA-N 351.746 2.035 0 1 FEAF COc1ccc2c(c1O)NC(=O)CN=C2c1cc(OC)c(OC)c(OC)c1 299866121 OKQAHCVYAMOIGD-UHFFFAOYSA-N 372.377 2.216 0 1 FEAF O=C(O)c1cccnc1SCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 586968231 LXJROQUPJRFJGU-UHFFFAOYSA-N 365.392 2.195 0 1 FEAF COCCN1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583773 URHTYJJCIRSJDD-YLJYHZDGSA-N 355.390 2.445 0 1 FEAF N=c1[nH]cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc-2[nH]1 587002479 GQKIGIRXAARKSW-ZETCQYMHSA-N 374.198 2.115 0 1 FEAF COc1ccc2nc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)sc2c1 587034090 CYPYMNDFRDYGJK-UHFFFAOYSA-N 360.420 2.496 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)[C@@](C(=O)O)(c1ccc(F)cc1F)NCC2 962929743 WOQVKNSLHBWZBY-LJQANCHMSA-N 360.360 2.141 0 1 FEAF C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCCO)CC(=O)O1 169368287 OCLUEPVAZDCMEC-DGYMAKSBSA-N 372.527 2.281 0 1 FEAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)NC[C@H](O)CO)cc1 774408 BOHNLGDJLQHEQB-HNNXBMFYSA-N 368.389 2.100 0 1 FEAF CC(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356351456 XWBYDIRYYVNTEF-XEYPJELSSA-N 373.472 2.429 0 1 FEAF CN1Cc2c(ccc3c2OCO3)[C@H]2C(=O)c3cc4c(cc3C[C@H]21)OCO4 2356560814 GTRPODKMSBFDOI-RDTXWAMCSA-N 351.358 2.481 0 1 FEAF CCCCc1cc(=O)[nH]c(-c2ccc(CN3CCC(C(N)=O)CC3)cc2)n1 20857184 KYAXGSXIQBJPRO-UHFFFAOYSA-N 368.481 2.477 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]23C[C@H]4[C@H](C[C@H](C)[C@@H]12)OC(=O)[C@]4(C)O3 2356641362 NJCOYDCWMCJBNU-AGTZWYRNSA-N 364.438 2.135 0 1 FEAF CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](C(=O)O)C(C)C)c12 16042743 WRIVCBXNXIDVNO-GOSISDBHSA-N 361.394 2.268 0 1 FEAF biogenic C[C@H]1C[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 194976187 VHCBVNYAJHXYLS-FVFJQJSQSA-N 369.461 2.162 0 1 FEAF C/C=C(/CO)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@H]2C1 238749758 VRERLMSQAWCFOO-FNZJFXSZSA-N 364.438 2.245 0 1 FEAF CCc1ccc(NC(=O)CN2C(=O)N[C@@H]3[C@H](O[C@@H]4CCCC[C@@H]34)C2=O)cc1 618016324 FTMJBXBTXZVUGF-LMSBXDPUSA-N 371.437 2.066 0 1 FEAF CCOC(=O)[C@](C)(OC(C)=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438498 GCQDAIGLRWDBLW-VMDGZTHMSA-N 362.378 2.086 0 1 FEAF COc1cc2c3c(c1)O[C@@](C)(c1cnc4nc(C)nn4c1C)[C@@H](C2)C3=O 587436362 ONCPJXCFDBGNAK-ORAYPTAESA-N 350.378 2.413 0 1 FEAF Cc1ccnc2[nH]c(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)nc12 587203432 PQJMGTZGYCBDSK-ZDUSSCGKSA-N 354.366 2.188 0 1 FEAF CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@H]2C1 587557981 NTQYEMKNJCDOSK-WDEREUQCSA-N 358.398 2.018 0 1 FEAF O=C(Cc1ccccc1)N1Cc2ncn(Cc3ccccc3)c2C[C@@H]1CO 13446930 IASSYGMCRYZWQG-LJQANCHMSA-N 361.445 2.420 0 1 FEAF CCN1CNS(=O)(=O)c2cc(C(=O)OCCc3ccccc3)ccc21 169325231 QBYVRVYJBNQUNC-UHFFFAOYSA-N 360.435 2.162 0 1 FEAF Cn1c(NCC(=O)c2ccc(Cl)cc2)nc(-c2ncncc2F)cc1=O 169711975 GGKJVEBAZKAPHN-UHFFFAOYSA-N 373.775 2.325 0 1 FEAF CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccnc1)c1ccccc1 201448613 HNMQTVIEOXHCFI-KRWDZBQOSA-N 359.451 2.288 0 3 FEAF O=C(c1csc(N2CCN(Cc3ccccc3)C2=O)n1)N1CCOCC1 205218959 YAEDFFQJFKIGLC-UHFFFAOYSA-N 372.450 2.058 0 3 FEAF C1=CC(c2noc([C@@H]3CCCN3C3CCOCC3)n2)=C[C](N2CCCC2)N1 2356310996 ZZDMDPDGGUOVBG-KRWDZBQOSA-N 370.477 2.471 0 1 FEAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc2c(c1)OCO2 2356318561 BAPCOLVFJMGORB-JQHSSLGASA-N 373.497 2.197 0 1 FEAF Oc1ccc(N2CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)nn1 26647770 ZZUIQJILULWGQX-AWEZNQCLSA-N 369.252 2.345 0 1 FEAF C[C@@H](CCc1ccc(N(C)C)cc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27745120 XRIRNXLNSXNEBK-XOBRGWDASA-N 371.481 2.201 0 1 FEAF Cc1nnc(C(=O)[C@@H]2CCCN2C(=O)CNC23CC4CC(CC(C4)C2)C3)o1 28823374 LNDZIFCFUWGUBW-OCABNYQQSA-N 372.469 2.110 0 1 FEAF C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C1(C)C 42876130 WKAWIUQHIDXDJS-HIIPOPSRSA-N 368.514 2.318 0 1 FEAF O=C(O)c1ccc(-c2csc3c(O)cc(=[N+]4CCOCC4)oc23)cc1 95581360 GCNBLUDADAFSDA-UHFFFAOYSA-O 358.395 2.368 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](C)O 299878197 INOVOIWPFWKELS-ULDCIAMBSA-N 366.502 2.016 0 1 FEAF COC(=O)[C@](C)(O)[C@@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962717834 QZUOHNAZKYJSGT-PJSAGSTRSA-N 353.459 2.329 0 1 FEAF COc1cccc2c3c(cnc12)CCN[C@@]3(CS(C)(=O)=O)C(F)(F)F 963049127 AMRQNOLQKCLZKX-OAHLLOKOSA-N 374.384 2.191 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H](C)N[C@H](C)C3)c(F)c21 13649584 WECBMEAZEQONMK-NXEZZACHSA-N 365.380 2.184 0 1 FEAF COC(=O)/C(=C\Cc1ccc(O)cc1O)[C@H](Cc1ccc(O)cc1O)OC 14825383 XOIYYFFWMNRCSJ-ZMHGOHSBSA-N 374.389 2.409 0 1 FEAF COCCNCc1ccc(OC[C@H](O)CN2CCCCCC2)c(OC)c1 15071602 MBQITTNPXHINRJ-GOSISDBHSA-N 366.502 2.047 0 1 FEAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@H]1c1cnn(C)c1 1857632329 MNUSMSAUSOJLNZ-AWEZNQCLSA-N 357.439 2.291 0 1 FEAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@@]1(O)CCC1=CC(=O)O[C@@H]1O 2356320104 GGIXZFAMVYMLGS-IKJFALAESA-N 364.438 2.077 0 1 FEAF COCc1cc(C[C@@H]2CC[C@@H](O)[C@H](CNCc3cccc(F)c3)O2)no1 2356390665 CDAPOCMMOKDPMG-UHOSZYNNSA-N 364.417 2.201 0 1 FEAF O=C(O)CCCCCC[C@@H]1C(=O)C[C@H](O)[C@@H]1C=C[C@@H](O)CCCCCO 2356340271 LDUBDFDZFOQXGF-BMFAXAFESA-N 370.486 2.448 0 1 FEAF CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1[nH]cnc1Cl 103169342 DFVFTEOHTYJQPZ-GFCCVEGCSA-N 353.806 2.424 0 1 FEAF NC[C@@H]1C[C@@]1(C(=O)N1CCc2sccc2C1)c1ccc2c(c1)OCO2 29047602 DUNLKPYMIRLCRM-IFXJQAMLSA-N 356.447 2.278 0 1 FEAF CN1CCN(C(=O)c2cc(-c3cnc(Oc4ccccc4)nc3)n[nH]2)CC1 118614860 DKDSOWYLEARIDC-UHFFFAOYSA-N 364.409 2.047 0 1 FEAF O=C(C1CCN(c2nccc(Nc3ccccc3)n2)CC1)N1CC[C@@H](O)C1 39301078 KHEWNIAPELNPRT-QGZVFWFLSA-N 367.453 2.030 0 1 FEAF COc1cc(C)c2c(c1O)Oc1c(c(C)c(O)c3c1[C@H](O)OC3=O)OC2=O 14588324 CAIDWUCHPKFSPM-GOSISDBHSA-N 374.301 2.209 0 1 FEAF biogenic Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)Cn3ccc(N)nc3=O)C[C@@H]1O2 40898318 SWWBXYKFLWTTDR-FFSVYQOJSA-N 369.421 2.368 0 1 FEAF C[C@H](/C=C/[C@@](C)(O)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C 143539704 KJLCZLBABYCKPW-JLZKFPODSA-N 364.482 2.494 0 1 FEAF COC(=O)c1cccc(-c2ccc(Cc3nnnn3C(=O)N(C)C)cc2)c1 96258188 NMVMWJKPAIJGFT-UHFFFAOYSA-N 365.393 2.247 0 1 FEAF CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@H]13)OCO4 31794337 HJDZNSLTBDNJJW-VDGAXYAQSA-N 351.358 2.481 0 1 FEAF biogenic CN(C)S(=O)(=O)c1cccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c12 587959944 SRTZIPWITPCYQV-UHFFFAOYSA-N 373.434 2.031 0 1 FEAF NC(=O)NCCC[C@H](N)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587259720 LYKJOGYUCGNYCB-AWEZNQCLSA-N 351.410 2.242 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1cc(C(=O)O)nn1)(C(C)(C)C)O2 587392396 TWCCAPUJTLYAIV-GOSISDBHSA-N 358.398 2.317 0 1 FEAF Cc1nn(C)cc1-c1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)no1 587652727 GSWUEYBWJYKJQR-UHFFFAOYSA-N 369.768 2.435 0 1 FEAF C[C@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)NCCc2ccc(O)cc21 963342691 RWQAGDYWOUNIDV-LJQANCHMSA-N 352.394 2.364 0 1 FEAF Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nn(C5CC5)cc4C3)ncnn12 169711813 VVBFRGXLQGJWRX-CYBMUJFWSA-N 365.441 2.031 0 1 FEAF O=C(NCc1ccc(F)cc1)c1[nH]c(Cc2ccc(F)cc2)nc(=O)c1O 205693985 IHUNJZMUJLLJET-UHFFFAOYSA-N 371.343 2.275 0 1 FEAF COc1ccc(-n2cc3nc(O)n(Cc4cccc(F)c4)n3c2=O)cc1 1857588435 NFVHYAQYWWLSEW-UHFFFAOYSA-N 354.341 2.188 0 1 FEAF O=C(/C=C/c1ccc(O)cc1)NCCNC(=O)/C=C/c1ccc(O)cc1 1857597714 FYHSPVXTITWRLG-YDWXAUTNSA-N 352.390 2.057 0 1 FEAF CC(=O)N[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C1 1645243 QEHFAHSIVHFASZ-MCIONIFRSA-N 371.478 2.462 0 1 FEAF CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)O[C@H]2[C@H]2C(C)=CC[C@@H](OC(C)=O)[C@]12C 2356329687 KCTHTUFPZVGRQO-DEFKKXKXSA-N 350.411 2.404 0 1 FEAF COCC(=O)N1CCC[C@@]2(CCN(C(=O)Nc3ccc(OC)cc3)C2)C1 3956321 VSIKBXXGAVKQNE-LJQANCHMSA-N 361.442 2.188 0 1 FEAF COC(=O)C1=C[C@@H]2[C@H](CCN3CC[C@]4(C(=O)Nc5ccccc54)[C@H]23)[C@H](C)O1 2356398086 VVECRUHJDJLLEQ-XYKBBKCYSA-N 368.433 2.063 0 1 FEAF CC1(C)[C@H]2C[C@@H]3Cc4c(O)c(C=O)c(O)c(C=O)c4O[C@]3(CCO)[C@@H]1C2 29123748 YAVVIISTQQUCBJ-ZZSSQOJGSA-N 360.406 2.461 0 1 FEAF Cc1ncc(-c2cnc(Nc3cccc(N4CCNCC4)n3)s2)cn1 34837790 RSJGHGUEQGPMMR-UHFFFAOYSA-N 353.455 2.457 0 1 FEAF CCNC(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O 137841209 XPPOGPDMGOCXNG-UHFFFAOYSA-N 351.362 2.225 0 1 FEAF CNCCN1CCC(c2cnc3nc(-c4cccnc4OC)[nH]c3c2)CC1 45284573 DAMBDOIWCIIKJF-UHFFFAOYSA-N 366.469 2.427 0 1 FEAF COc1ccc(CCn2nnn[n+]2C2(c3ccc(Cl)cc3)CC2)cc1 40764390 UNTBZOHMPXLULX-UHFFFAOYSA-N 356.837 2.403 0 1 FEAF COc1ccc(-c2nn(CC3CCNCC3)c3ncnc(N)c23)cc1C 84669858 MQULVMDBNSSIMR-UHFFFAOYSA-N 352.442 2.392 0 1 FEAF in-vitro C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@@H]3CC[C@](O)([C@@H](O)CO)[C@@]3(C)CC[C@H]12 255236279 MQSSTQLJJOVNQF-OYMMSLOLSA-N 352.515 2.474 0 1 FEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cncc(Cl)c2[nH]1 586930164 NJSLGPVULOSJSN-UHFFFAOYSA-N 352.803 2.146 0 1 FEAF COc1ccc2c(C)c(CCc3nc4c(N)ncnc4[nH]3)c(=O)oc2c1C 586918931 TXZJFRFESLTERF-UHFFFAOYSA-N 365.393 2.452 0 1 FEAF CCCc1c(O)ccc2c1OC(COC(C)=O)(COC(C)=O)CC2=O 587486762 ZXRHTYZEMHDORS-UHFFFAOYSA-N 350.367 2.175 0 1 FEAF Clc1ccc(-n2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)nn2)cc1 587075927 MQQNWSBJOJHWRH-UHFFFAOYSA-N 363.772 2.440 0 1 FEAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cnnc(O)c3[nH]2)cc1 587040250 MBEWJXJEZUMUHJ-ZDUSSCGKSA-N 371.422 2.345 0 1 FEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Cl)nc2[nH]1 586930166 NKBNSEXXLZOERK-UHFFFAOYSA-N 352.803 2.146 0 1 FEAF O=C(N[C@H]1C[C@H](C(=O)NCCc2ccccc2)C1)N1Cc2ccncc2C1 1772605249 NWNOWCIQIWRSCR-UAPYVXQJSA-N 364.449 2.244 0 1 FEAF CC(C)=CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2C(=O)CC[C@H](C)[C@]21C 205257923 HZNWMULTMKCKLR-ITYJAPSPSA-N 362.422 2.452 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@H](NCc2ccc(F)cc2)C[C@H]1O 2356288767 KNQIJSUWMBVVED-VNTMZGSJSA-N 371.456 2.183 0 1 FEAF C[C@@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1NCCc2c1[nH]c1ccccc21 103021651 OSVWDXIDKQZVIQ-ZBEGNZNMSA-N 368.437 2.048 0 1 FEAF C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 52627433 ZYMFCZFFLPVIAM-IXDGSTSKSA-N 357.429 2.054 0 1 FEAF Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3nccs3)cn2)cc1C 116772873 IEKGETLZAYFREU-UHFFFAOYSA-N 362.436 2.446 0 1 FEAF Cn1c(CO[C@H]2CN(C(=O)c3cccnc3)C[C@@H]2F)nc2ccccc21 2356330572 SXTAQFXYQGWQRZ-YOEHRIQHSA-N 354.385 2.348 0 1 FEAF CC(C)NC[C@H](O)COc1ccc(CCS(=O)(=O)CC2CCC2)cc1 25967962 ZAOXCWMNIYUNPJ-SFHVURJKSA-N 369.527 2.182 0 1 FEAF CCSc1nc(CC(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)cs1 23214273 VSLUPQDJCLBBOC-UHFFFAOYSA-N 364.496 2.287 0 1 FEAF COc1ncccc1-c1cc2nc(NCCCN(C)C)n(C)c(=O)c2s1 61925915 ZZYJYARFROLMSV-UHFFFAOYSA-N 373.482 2.429 0 3 FEAF C[C@H](O)CCC[C@H](O)CC[C@@H]1[C@@H](O)CC(=O)[C@H]1CC=CCCCC(=O)O 2356765941 ZMWWFDMBQLWCBL-WSRJKRBPSA-N 370.486 2.446 0 1 FEAF COc1c(OC)c(O)c2c(=O)cc(C)oc2c1I 66074051 GWBUEBVNCXISFW-UHFFFAOYSA-N 362.119 2.429 0 1 FEAF COc1cc(NC(=O)[C@]2(C)CCN2C(=O)C(C)C)cc(OC)c1OC 61906157 VUMJXRHAJPETGI-SFHVURJKSA-N 350.415 2.298 0 3 FEAF Cc1ccc2c(c1)nnn2C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 49803820 WIOHCMPIMTWFLJ-SFHVURJKSA-N 370.363 2.197 0 1 FEAF CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccccc1F 95895405 ATRGBFQTEIUFSL-ZCNNSNEGSA-N 370.424 2.273 0 1 FEAF COc1cccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3C(C)=O)c1 95893945 KOXXFKSHTPUYBY-XUVXKRRUSA-N 366.417 2.031 0 1 FEAF COc1cc2nc(=S)n(CCCN3CCOCC3)c(O)c2cc1OC 239254639 YOCJIBZLXHBVKM-UHFFFAOYSA-N 365.455 2.211 0 3 FEAF COc1cncc([C@@H](NC(=O)c2ccc3c(c2)OCO3)C2CC(O)C2)c1 230573106 FHGVDAYRXCFFDV-WFZFXDGQSA-N 356.378 2.061 0 1 FEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)C)n3)C2)cc1 261163968 RLEMOIKGGBJKMG-KBXCAEBGSA-N 369.469 2.397 0 1 FEAF Cn1cc(-c2ncc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)s2)cn1 587022049 TWJMAFZXAWIBDM-UHFFFAOYSA-N 361.408 2.334 0 1 FEAF COC(=O)[C@H](OC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598862 YOUULCSISXKKKF-LJHODMEESA-N 358.346 2.301 0 1 FEAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1nccc(C)n1)[C@@H](C2)C3=O 587432499 MRHHVRRYBKRZGU-DJJJIMSYSA-N 353.378 2.329 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN[C@@H](C(=O)O)[C@@H]1C3 586989181 AIXNUUVDUSWVQI-JNHSQIPHSA-N 372.380 2.464 0 1 FEAF COc1ccc(C)cc1C(=O)CCc1nc2cccc(S(N)(=O)=O)c2[nH]1 587785990 FTTFZBVYKXJUCY-UHFFFAOYSA-N 373.434 2.343 0 1 FEAF COC(=O)/C=C(\CC(=O)OC)NNc1ncc(C(F)(F)F)cc1Cl 957626658 IOMWRKMRRLEFNL-XBXARRHUSA-N 367.711 2.290 0 1 FEAF NCC(F)(F)[C@@H]1CC[C@@]2(C1)N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963236344 WOOUJBQBFWMPDC-VOZBZGINSA-N 361.392 2.423 0 1 FEAF Cc1c(O)ccc2c1[C@](C[C@@H]1CCCN1)(c1ccco1)N[C@H](C(=O)O)C2 963511872 VTDRPXLNFFYBTE-AVYPCKFXSA-N 356.422 2.278 0 1 FEAF CN1C=C[C@]2(C(C(N)=O)=C1)c1ccsc1CCN2Cc1cccn1C 962377400 WOSVXJALDYUBHI-LJQANCHMSA-N 354.479 2.169 0 1 FEAF O=C(N[C@@H](C[C@H]1C(=O)Nc2ccccc21)C(=O)O)OCc1ccccc1 147655537 VIQVFWBSCSJFHT-ZBFHGGJFSA-N 354.362 2.492 0 1 FEAF Ic1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1 13560803 APOWQKZSZWQBJS-NSHDSACASA-N 367.190 2.489 0 1 FEAF COC(=O)C[C@@H](CCc1ccc(C(N)=O)cc1)c1cccc(C(=N)N)c1 13776600 RSOOCDJHZHAFLX-MRXNPFEDSA-N 353.422 2.349 0 1 FEAF CCc1cc(CNC(=O)c2ccc(OC)c(OC3CCNCC3)c2)on1 169305110 OBHHBRWBEMUOLB-UHFFFAOYSA-N 359.426 2.306 0 1 FEAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@H]1CNC3 113154487 GWQQGUTVSYNRGS-NSHDSACASA-N 357.385 2.246 0 1 FEAF O=C(O)Cc1nn(CC(=O)Nc2ccc(Cl)cc2)c(=O)c2ccccc12 599187 PYZWYGVAMXJUHB-UHFFFAOYSA-N 371.780 2.316 0 1 FEAF COc1ccc(CCNC(=O)[C@@H]2NC(=O)C[C@@H]2c2ccccc2)cc1OC 4928918 CMIVSLLRJCOTMJ-OXQOHEQNSA-N 368.433 2.035 0 1 FEAF COC(=O)c1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 25973999 AWNDQOOEOFSLEH-UHFFFAOYSA-N 364.405 2.312 0 1 FEAF O=S(=O)(Cc1n[nH]c(=S)o1)C1=NNC[C@@H]1c1ccc(Cl)cc1 40977441 DLVDCBFICXNNCX-SECBINFHSA-N 358.832 2.001 0 1 FEAF O=C(O)c1ccc(-n2[nH]cc(-c3cncc(Br)c3)c2=O)nc1 43195431 OVDTWFIXLJKKSM-UHFFFAOYSA-N 361.155 2.083 0 1 FEAF O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(C(F)(F)P(=O)(O)O)cc1 49047748 GRIBYFLJXRGBLY-UHFFFAOYSA-N 367.248 2.464 0 1 FEAF CCc1nc(C(=O)N2CCC[C@H](C(=O)OCC(C)(C)N(C)C)C2)cs1 82069654 MTACJOQOQNMOHV-ZDUSSCGKSA-N 367.515 2.441 0 1 FEAF CC(=O)N(CC(C)C)C[C@@H]1N[C@H](CO)[C@H]1c1ccc(-c2cncnc2)cc1 95661841 OPQNQDCSHDFHNY-HBMCJLEFSA-N 368.481 2.064 0 1 FEAF COC(=O)[C@@](CC1=CC[C@@H]2C[C@@H]1C2(C)C)(NS(C)(=O)=O)C(F)(F)F 100123511 MLJVFKXWSFYGOJ-UHIISALHSA-N 369.405 2.392 0 1 FEAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@H](C2)N(CC2CCC2)CC[C@]314 101191676 ZBAQMFALLMLPSC-AGOPTVSRSA-N 369.461 2.219 0 1 FEAF COCCc1cc(-c2c(C)nc3c(N4CCOCC4)nccn23)ccn1 147427915 HEXLPAXZWLTECV-UHFFFAOYSA-N 353.426 2.125 0 1 FEAF Nc1c(Cl)cc(C(=O)N[C@H]2CCN3CCC[C@H]2C3)c2nsnc12 253740189 UMHNYWDDWJWNHJ-KWQFWETISA-N 351.863 2.141 0 1 FEAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CC[C@@H]21)[C@H](CO)C3 257418753 FQXFNQBHZJYODR-LEGAJKJJSA-N 352.471 2.034 0 1 FEAF endogenous,in-man CC1(C)C[C@@H](O)C[C@]1(C)c1ccc(C(=O)OC[C@@](C)(O)C(=O)O)cc1 473135335 OEMQRFWSQMZDOR-NIKGAXFTSA-N 350.411 2.118 0 1 FEAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cnc(Cl)[nH]c-3n2)cc1 586927206 VJJBMQCRRDEMHM-UHFFFAOYSA-N 364.814 2.177 0 1 FEAF CCCCc1c(CC(=O)N[C@@H]2CCOC2=O)[nH]c2c(C(=O)O)cccc12 587638092 KPJOPGZYSQXVET-CQSZACIVSA-N 358.394 2.183 0 1 FEAF Cn1cccc1CN1CCc2sccc2[C@]12CC[C@@H]1[C@@H](C(=O)O)NC[C@H]12 962374145 NXMOTYFJEQECGT-HUOQQOJOSA-N 371.506 2.423 0 1 FEAF N=c1[nH]c(C(=O)Nc2cc(-c3cnn([C@@H]4CCNC4)c3)ccc2Cl)co1 1857614390 JITORRZFPAICTP-GFCCVEGCSA-N 372.816 2.391 0 1 FEAF CC(=CCOc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@H](O)C2=O)CO 2356406984 MSWOYPGTQZJKQY-UXHICEINSA-N 372.373 2.093 0 1 FEAF O=C1c2ccc3ccoc3c2O[C@H]2COc3cc4c(cc3[C@]12O)OCO4 2356477310 RFBAPRONSCOSFV-HNAYVOBHSA-N 352.298 2.385 0 1 FEAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)N1CCCCC1 6916445 IVYZFWPWQILQJM-UHFFFAOYSA-N 356.348 2.075 0 1 FEAF O=C(OCCCN1CCN(c2ncccn2)CC1)C12C[C@@H]3CC1C[C@H](C3)C2 101754018 KFYRIMHNAXFUER-IRDVNMAFSA-N 370.497 2.358 0 1 FEAF COc1cc(C[C@@H]2OCC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O 2356687479 RNXYRAQIZQGUIK-KSSFIOAISA-N 358.390 2.484 0 1 FEAF COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@@H](c3ccncc3)[C@H]1C2 72182214 BUJZAYWHDVQZSM-GUYCJALGSA-N 354.435 2.276 0 1 FEAF N=C(NCc1ccc(Br)cc1)NCc1cccc(C(N)=O)c1 40895556 PYZZVIGRLFPJMP-UHFFFAOYSA-N 361.243 2.362 0 1 FEAF Nc1c(Cl)cc(C(=O)N[C@@H]2CCN3CCC[C@H]2C3)c2nsnc12 253740182 UMHNYWDDWJWNHJ-GZMMTYOYSA-N 351.863 2.141 0 1 FEAF OC[C@@H]1[C@H](c2ccc3c(c2)OCO3)O[C@H](O)[C@@H]1Cc1ccc2c(c1)OCO2 85861618 UKAWKJJAYPMFJL-NIHZBZNOSA-N 372.373 2.001 0 1 FEAF biogenic COc1ccc(CNC(=O)CSc2nc3cccnc3[nH]2)cc1OC 299819338 BFIUSFGWOXDSJM-UHFFFAOYSA-N 358.423 2.384 0 1 FEAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccnc(O)c4[nH]3)cc12 587039659 ZUCKCEFOJSTFQI-QMMMGPOBSA-N 356.411 2.411 0 1 FEAF CC1=C[C@]2(CC(=O)N1CC1CC1)N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963472979 QJSQIYMCJGORMO-MGPUTAFESA-N 356.422 2.041 0 1 FEAF COc1cc(CCn2cnc3ccc([S@](C)=O)cc3c2=O)cc(OC)c1 1857539969 SKTLXRSJBDNTDF-SANMLTNESA-N 372.446 2.394 0 1 FEAF CC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4199456 KFRBCHSPAIZUSD-MHGIMSBQSA-N 354.406 2.249 0 1 FEAF CO[C@@H]1C[C@@H]2[C@H](CC(=O)c3ccc(O)cc3)C[C@](C)(O)[C@@H]2[C@H](OC)O1 2356399204 PVROCOPQOJHZLO-TVVAWBNUSA-N 350.411 2.334 0 1 FEAF O=[N+]([O-])/C(=C\c1ccc(CO)o1)C1=NCCN1Cc1ccc(Cl)nc1 59085617 USHMJOACWAOOKN-AUWJEWJLSA-N 362.773 2.352 0 1 FEAF CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[C@H](C)c1ccccc1 20531787 MDNNZQDZKWUVCQ-CQSZACIVSA-N 356.422 2.118 0 1 FEAF OCCS[C@@H]1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@H]1O 2356534983 VKKARASAKMNKCK-IXDOHACOSA-N 350.392 2.065 0 1 FEAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@H]1C[C@H](O)C1 1911576857 VASPNVMBWNYUAH-KYZUINATSA-N 366.303 2.310 0 1 FEAF CCc1nc(C(=O)N2CCC[C@H](C(=O)OC[C@@H]3CCCN3C)C2)cs1 82069662 VVQAEGUXJHOBFQ-KBPBESRZSA-N 365.499 2.195 0 1 FEAF COc1cc2c(cc1O)[C@H]1O[C@@H](O)c3c(ccc4c3OCO4)[C@@H]1N(C)CC2 85801204 DPRSKEMBOBQDJV-NLWGTHIKSA-N 371.389 2.421 0 1 FEAF endogenous,in-man Cc1cccc(NC(=O)c2cccn3c(=O)cc(N4CCOCC4)nc23)c1 473132459 SUFYSGRPXBMRBX-UHFFFAOYSA-N 364.405 2.092 0 1 FEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586951724 WQRWBOPSXSZJPI-NSHDSACASA-N 366.428 2.090 0 1 FEAF COc1ncnc(N)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573468 BYDXTRUYHOPHTC-SUMWQHHRSA-N 365.345 2.476 0 1 FEAF Nc1cccc(-c2ccc(C[C@H](CC(=O)O)NC(=O)CCC(=O)O)cc2)c1 166221789 WGHLXBMHIXVGCN-QGZVFWFLSA-N 370.405 2.303 0 1 FEAF CC1=C(C#N)C(=O)NC(=O)/C1=C\c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O 137050349 BLYLXWQDKWTHAH-QPEQYQDCSA-N 368.780 2.007 0 1 FEAF O=C(O)[C@@](F)(Cc1cnc2ccc(-c3ccccc3)cn12)P(=O)(O)O 1772615435 BOWSBERDLJZIEY-MRXNPFEDSA-N 364.269 2.472 0 1 FEAF O=C1NCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 13580059 ZVZSTOGIGQSSHH-NSHDSACASA-N 365.158 2.310 0 1 FEAF COc1ccc(CN2C(=O)c3ccccc3[C@]3(CC(O)=NC3=O)C2=O)cc1 13737599 CXXXIENTZYURJX-FQEVSTJZSA-N 364.357 2.002 0 1 FEAF O=C(c1cc(Br)c(Br)o1)N1C[C@H]2CNC[C@@H]2C1 169711229 UXIXSVLZTCKWCM-RNFRBKRXSA-N 364.037 2.096 0 1 FEAF CC(C)S(=O)(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167408178 NSTHKCKJFCESCB-UHFFFAOYSA-N 361.467 2.390 0 1 FEAF CNc1nc(Nc2cc(F)c(CN3CCOCC3)cc2OC)ncc1C#N 205925963 JUWXCOQVEVSURH-UHFFFAOYSA-N 372.404 2.113 0 1 FEAF NC(=O)c1c(Cl)ccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O 3988167 DBSOBTRQDVVOIW-UHFFFAOYSA-N 357.753 2.228 0 1 FEAF Cc1c2c(cc3c1[C@H](c1ccoc1)OC3=O)[C@@H]1COC(=O)C1=C[C@H](O)C2 2356477183 XYDSFEQOFYTNPI-VOZBZGINSA-N 352.342 2.332 0 1 FEAF Nc1n[nH]c2c1[C@@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 114843051 FDZAFCKLCZYXMJ-GWCFXTLKSA-N 352.847 2.486 0 1 FEAF Cc1ccccc1-c1nc2ccccc2c(=O)n1C(=O)CC[C@H](N)C(=O)O 103174560 OWCVLFILAPVRLV-HNNXBMFYSA-N 365.389 2.204 0 1 FEAF CCc1nc(C(=O)Nc2cccc([C@@]3(C(F)F)COCC(N)=N3)c2)co1 113659860 GFKFSIFXBJUBPL-QGZVFWFLSA-N 364.352 2.337 0 1 FEAF COCC(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 115651525 JIIFXIYYHVAAJI-IBGZPJMESA-N 356.809 2.486 0 1 FEAF C[C@H](O)[C@@H]1CC[C@@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356588783 GWFUMWNECJPGQG-ANINIPNJSA-N 350.499 2.393 0 1 FEAF CC1(C)Oc2cc(O)c3c(c2[C@H](O)[C@H]1O)OC(c1ccc(O)cc1)=C[C@H]3O 2356606251 ISGAAPAIOWRAOZ-XTDINYQCSA-N 372.373 2.130 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@H]2[C@]1(C)O 2356649158 BOOUTSYULZVFNI-LQQYDMKDSA-N 364.438 2.387 0 1 FEAF COc1cc(C)cc(OC)c1OC(=O)[C@@H](CC[S@](C)=O)N1CCCC1 40465115 YNEIGJNEKCKFLJ-DLUDVSRJSA-N 369.483 2.151 0 1 FEAF COc1cc(C[C@H](CO)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 196290880 NSDCDYPQZDMINO-CYBMUJFWSA-N 364.394 2.451 0 1 FEAF O=C1O[C@@H](O)C(c2ccc(C(=O)N3CCCCC3)cc2)=C1Br 84687786 GIAWCXNBLDWHMS-OAHLLOKOSA-N 366.211 2.294 0 1 FEAF Cc1c(NC(=O)N[C@H]2CN3CCC2CC3)cccc1C(=O)N1CCCC1 95524014 KEQBMGXSWRKKHI-SFHVURJKSA-N 356.470 2.447 0 1 FEAF CC[C@H]1CN(C(=O)NC(C)C)CC[C@@H]1CC(=O)NCCN1CCCCC1 25434067 QRRRQTWIRUNTLI-ZWKOTPCHSA-N 366.550 2.445 0 1 FEAF biogenic CC1CCC(NS(=O)(=O)Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)CC1 586952977 OUMXVZBRCXXCKJ-UHFFFAOYSA-N 369.418 2.398 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)CCC2=O)N1 587761852 QMDHRYHTXPFBDB-XXFAHNHDSA-N 369.234 2.487 0 1 FEAF COc1ccc(C=O)c2cc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)oc12 586903003 FGGSWYQNYIAGCR-UHFFFAOYSA-N 371.374 2.445 0 1 FEAF C[C@@]1(O)OC(=O)C(c2cccs2)=C1c1ccc(S(C)(=O)=O)cc1 13488616 CTGPIHLEOYRNCV-MRXNPFEDSA-N 350.417 2.328 0 1 FEAF CN1CCc2cc(O)c(O)cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1 14930415 XPVUPHZUUXVXQD-DLBZAZTESA-N 355.346 2.267 0 1 FEAF biogenic C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)cc1)C(F)(F)F 1535215 GNVWYNKNTYVESS-AWEZNQCLSA-N 374.340 2.166 0 1 FEAF CC(=O)N[C@@H]1[C@@H](c2ccccc2)N(Cc2ccncc2F)CC[C@]1(C)O 2356288903 MQNMLXBUFDBXMZ-AQNXPRMDSA-N 357.429 2.423 0 1 FEAF CCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 104462145 BJLOPVKFECOISX-XKGFGPFHSA-N 355.434 2.354 0 1 FEAF Cc1ccc(CNc2nc(CN3CCNC(=O)C3)nc3ccccc23)o1 55342337 FPONJUCGOWNMGM-UHFFFAOYSA-N 351.410 2.075 0 1 FEAF Cc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1N(C)S2(=O)=O 28765511 KRQSTOZXJYLMBU-UHFFFAOYSA-N 359.451 2.360 0 1 FEAF CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1COCC1=O 26157925 DBPQNGIJEMKBKS-IRXDYDNUSA-N 374.481 2.213 0 1 FEAF CCN1CCC[C@@H]1CNC1=NS(=O)(=O)C(c2ccc(OC)cc2)=C1C 21525884 UXRCRRZWSOPHBU-OAHLLOKOSA-N 363.483 2.242 0 1 FEAF O=S(=O)(Cc1ccccc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523108 FABPHEMNEIEYMS-WOJBJXKFSA-N 371.506 2.207 0 1 FEAF COc1cc2c(cc1O)-c1c3c(c(OC)c4c1[C@H](C2)N(C=O)CC4)OCO3 2356466027 OZSGJODEHSOWQG-ZDUSSCGKSA-N 369.373 2.417 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@@]2(O)C1 2356618493 VYDPZFPZVFZUFI-SGLTUDCSSA-N 364.438 2.387 0 1 FEAF O[C@]1(Cc2ccc3c(c2)OCO3)COC[C@H]1Cc1ccc2c(c1)OCO2 2356648220 SGVLWHWILVKVNS-FOIQADDNSA-N 356.374 2.307 0 1 FEAF CC[C@@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccccc2)C1=O 36382381 COGDFBMTJMTCNX-HNNXBMFYSA-N 353.426 2.051 0 3 FEAF CC(=O)N1CCCN(c2cncc(-c3cccc(/C=C/C(=O)O)c3)n2)CC1 40429604 SSWBAEBPHNUZNC-VOTSOKGWSA-N 366.421 2.300 0 1 FEAF NC1=N[C@]2(CO1)c1cc(-c3cncnc3)ccc1OCC21CC(F)(F)C1 149268780 IBQLKXDWVJSRDU-GOSISDBHSA-N 358.348 2.492 0 1 FEAF O=C1OCC(OCCOC(=O)c2ccc(O)cc2O)=C1c1ccccc1 96914291 NNXFKYJDGWANJP-UHFFFAOYSA-N 356.330 2.239 0 1 FEAF CN1CCCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S1(=O)=O 148501236 MZZYNDIMZODFGH-OAHLLOKOSA-N 373.478 2.038 0 1 FEAF NC(=O)c1cccc2c1C(=O)N(C1CCN(C(=O)C3CCCCC3)CC1)C2 473098073 FJTANWLMPVRWJN-UHFFFAOYSA-N 369.465 2.313 0 1 FEAF O=C(O)CSc1ncccc1-c1nc2c(S)nc(S)nc2[nH]1 586968230 LWXPPWNEISJTGT-UHFFFAOYSA-N 351.438 2.169 0 1 FEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C2CCN(CC2)[C@H]1C(=O)OC 587487946 ZIDIQNMARXFYSQ-AZUAARDMSA-N 359.422 2.316 0 1 FEAF O=C1COc2cc3[nH]c(CSc4ncccc4C(=O)O)nc3cc2N1 586969383 WWQQTAZOJACVGN-UHFFFAOYSA-N 356.363 2.279 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)C=C2C(N)=O)N1 587775458 SPECSWWLSWDPFX-XXFAHNHDSA-N 366.234 2.146 0 1 FEAF C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CCC2)CCN1 5930089 QJUDJDZTLHAGPS-NSHDSACASA-N 359.401 2.362 0 1 FEAF CCN(CC)CCOC(=O)C1(c2ccc(-n3cnnn3)cc2)CCCC1 13824761 XNUJCZRXTLETJZ-UHFFFAOYSA-N 357.458 2.359 0 1 FEAF COc1ccc(C(=O)[C@](O)(Cn2cncn2)c2ccc(OC)cc2)cc1 26010501 NCSJOQAXEVIINI-IBGZPJMESA-N 353.378 2.066 0 1 FEAF COC(=O)c1ccccc1CNC(=S)[P@@](=O)(O)[C@H](N)CC(C)C 49068951 PYDZRVWWMCCMCM-ZDUSSCGKSA-N 358.400 2.449 0 1 FEAF O=C(CCc1ccc2cc(O)ccc2c1)NC1=C(C(=O)O)C[C@@H](O)CC1 49111395 CIQTZWSZWNISGL-INIZCTEOSA-N 355.390 2.478 0 1 FEAF C[C@@]1([C@@H](O)CO)C=C2CC[C@@H]3[C@@](C)(C[C@H](O)C[C@@]3(C)C(=O)O)[C@H]2CC1 70455262 UWBQESXNYLGFQE-SQYQGHBCSA-N 352.471 2.344 0 1 FEAF biogenic,in-vitro C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 95675527 PHXITHQOKRDDQC-UTRMSSBJSA-N 374.481 2.079 0 1 FEAF COC(=O)c1ccc2c(c1)C(NCCCN)=C1C(=N[C@H]3C=CC=C[C@@H]13)N2C 103164676 AHFQPZUEVZSQGJ-ZBFHGGJFSA-N 364.449 2.095 0 1 FEAF COC(=O)c1cc(Br)c2[nH]c(C[C@H]3COCCO3)nc2c1 586911512 ZRIRLCDCTKMYSL-VIFPVBQESA-N 355.188 2.070 0 1 FEAF COc1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2n1 586924982 DINIRXUJAAPCIW-UHFFFAOYSA-N 359.407 2.186 0 1 FEAF CCN1C(=O)C[C@@H](c2nc3c(O)nc(O)nc3[nH]2)[C@@H]1c1ccccc1Cl 587062674 ZYHOVVBAFAJXTO-RNCFNFMXSA-N 373.800 2.495 0 1 FEAF CCOC(=O)c1cc(Br)c2[nH]c([C@]3(N)CCOC3)nc2c1 587247602 UQQXUJCDOVZYSS-AWEZNQCLSA-N 354.204 2.076 0 1 FEAF CC(C)(C)OC(=O)N1CC[C@H]2c3cc4c(O)nc(O)nc4nc3C[C@H]2C1 587559296 WYVBPIRPRQNNKJ-VHSXEESVSA-N 358.398 2.333 0 1 FEAF NC(=O)c1sc2cncc(N3CCN(c4ccccc4O)CC3)c2c1N 621429219 FWXVYUDXAUDQCT-UHFFFAOYSA-N 369.450 2.010 0 1 FEAF CCOC(=O)C[C@]1(C[C@H]2CCCO2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963021532 GICHEFVEILZHIP-ZSDSOXJFSA-N 372.465 2.458 0 1 FEAF COc1ccc([C@@H]2[C@H](O)CO[C@H]2[C@H](O)c2ccc(OC)c(OC)c2)cc1 2356713894 VOBMPBLQBUANQN-HUYLIWGRSA-N 360.406 2.289 0 1 FEAF C[C@H]1CCCN(S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)C1 6867758 BPBNTXGTKXCWHZ-RYUDHWBXSA-N 366.508 2.491 0 3 FEAF COC(=O)[C@@H]1CC2=C(CN1Cc1ccc(C(F)(F)F)cc1)N(C)[CH]N2 2356320704 DJKMJPSWYYYUBR-AWEZNQCLSA-N 354.352 2.319 0 1 FEAF OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)C[C@@H]1O 26571755 QHUNSJYFZSECMJ-OUCADQQQSA-N 352.822 2.080 0 1 FEAF COc1ccc(CN2C[C@H]3CN(C4CCOCC4)CCN3C(C)(C)C2)cc1 2356689626 QTZYLCCDQKUGIJ-FQEVSTJZSA-N 373.541 2.455 0 1 FEAF O=C(C=COC(=O)c1ccc(C(=O)O)cc1)Oc1ccc(C(=O)O)cc1 2356753294 KGKHZXYQVLGUOR-UHFFFAOYSA-N 356.286 2.359 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1[C@@]2(C)[C@H](CC[C@H](O)[C@@H]2C)C[C@@]23OC(=O)[C@H](C)[C@@]12O3 85642917 FYNKIYMILKEXOG-GQXDYWAMSA-N 364.438 2.340 0 1 FEAF biogenic C/C=C(\C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2[C@@H](O)CC(=O)[C@]21C 40845599 GLHMGBSDKSSHQL-KQCUBUPESA-N 364.438 2.038 0 1 FEAF COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CO)ccc1-n1cnc(C)c1 95579829 VEMJBOHGJBKGOD-BDBSJLECSA-N 368.437 2.373 0 1 FEAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(F)cc4[nH]3)c2N)C1 586954913 IOUSMSIZNWZQEW-UHFFFAOYSA-N 360.414 2.269 0 1 FEAF CN(C)S(=O)(=O)c1cccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 586908834 SEFJJRNBWVLYRL-UHFFFAOYSA-N 371.418 2.452 0 1 FEAF Nc1ncc(-c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)cn1 587254854 RJGAALGYKPPSBY-UHFFFAOYSA-N 353.436 2.637 0 1 FEAF Cc1cc2nncn2c2sc(C(=O)N[C@@H]3Cc4cccnc4C3)c(N)c12 1857611182 ODNSWEAIRUOKFV-LLVKDONJSA-N 364.434 2.127 0 1 FEAF CC(C)=CCN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@]3(O)[C@H]1C5 2356435021 OHKCLOQPSLQCQR-OTNPHJDUSA-N 355.434 2.082 0 1 FEAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]23C(=O)O[C@@](C)(O)[C@@H]2CC[C@@]13O 2356731840 FFZQIXTWKFKKBC-HDYXKPBTSA-N 364.482 2.367 0 1 FEAF CC(=O)c1cc(C[C@@H]2CNCC[C@@H]2CC(=O)NCc2ccccc2)no1 2356831466 JPHPPUIPKAARFN-IAGOWNOFSA-N 355.438 2.352 0 1 FEAF C/C=C1/CN2[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccc(O)cc12 211242489 FRCLXVJYJUQIJH-XIVYZYPHSA-N 368.433 2.273 0 1 FEAF O=C1c2cc3c(cc2OCN1CCc1ccccn1)C(=O)N1CCC[C@H]1O3 72174426 CXXBNCUUAPHSLV-GOSISDBHSA-N 365.389 2.071 0 1 FEAF COc1cc2c(cc1OC)[C@H](C1CCCCC1)N(S(N)(=O)=O)CC2 49525759 IQAZISQFVSXDOO-KRWDZBQOSA-N 354.472 2.387 0 1 FEAF CN(CC(N)=O)Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1 221600819 JTQJBIZGHVWFJM-UHFFFAOYSA-N 366.396 2.057 0 1 FEAF CC[C@H]1C[C@H](/C=C\CC(C(=O)OC)C(=O)OC)O[P@@](=O)(OC)O1 198501244 HQPXMHFUGNZFHH-HAGCEUQASA-N 350.304 2.234 0 1 FEAF CN(C)CCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 143838593 WUNUIXUOKUXWFH-UHFFFAOYSA-N 354.454 2.130 0 1 FEAF CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 147401868 WKOHIQBHDYTBDY-VDISTLRHSA-N 368.434 2.396 0 1 FEAF CN1C(=N)N[C@@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1=O 96929110 GTDYUUXEUKWIMF-KRWDZBQOSA-N 357.801 2.199 0 1 FEAF CN(C)C(=O)C[C@@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962708528 ZJOUPMUSBOBWAS-IUODEOHRSA-N 362.323 2.137 0 1 FEAF COc1ccccc1OS(=O)(=O)c1ccc(N2CCN(C)C2=O)cc1 1772581974 GTRZTKHJSAPBIG-UHFFFAOYSA-N 362.407 2.335 0 1 FEAF O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cccc(Cl)c1 13612296 NRAZMSNSDNTLIQ-UHFFFAOYSA-N 355.737 2.491 0 1 FEAF O=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1ccccc1Cl 13763543 KLSFVSXDHLKRFT-UHFFFAOYSA-N 350.783 2.498 0 1 FEAF O=C(NCc1ccccc1)[C@H]1C[C@H]2CN(C(=O)NC3CCCC3)C[C@@H]1O2 1857615861 UEYJOBCOIPURRQ-BZSNNMDCSA-N 357.454 2.044 0 1 FEAF CC1(C)[C@@H](C(=O)NN2CCN(c3cnccn3)CC2)[C@@H]1c1ccc(F)cc1 1857642333 QPQLSOMRFZEYKS-ZWKOTPCHSA-N 369.444 2.209 0 1 FEAF CO[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5 28221855 BWJYOOPVFMQZNN-MBPVOVBZSA-N 355.434 2.180 0 1 FEAF COC(=O)C1=CO[C@H](C)[C@@H]2[C@@H]1C[C@@H]1c3[nH]c4ccccc4c3CCN1[C@@H]2O 2356581565 AUJVVPBGBOEYGD-NNCJHBLLSA-N 368.433 2.497 0 1 FEAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@@H]3CCC[C@H]4[C@H](O)C(C(=O)O)=C(C1)[C@@]342 2356847612 OYAAECDZXFHFIA-NJMRJFFHSA-N 373.497 2.195 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N[C@@H]1CCCc2ccccc21 36384109 LUYDYUNUZBCJEW-XCVIRLNASA-N 364.445 2.377 0 1 FEAF COCCCNc1ncc(C(=O)N2CCOCC2)c(-c2ccccc2)n1 82132373 ACADWUMBABIHSK-UHFFFAOYSA-N 356.426 2.064 0 1 FEAF Cc1cn(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)nn1 143107999 YQDLCHBLBHQXQX-UHFFFAOYSA-N 360.425 2.165 0 1 FEAF CN1CCN(C(=S)SCc2cn(Cc3ccccc3F)nn2)CC1 96285695 WCWSWYDTNITEJO-UHFFFAOYSA-N 365.503 2.231 0 1 FEAF O=C(O)C[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2F)[nH]1)c1ccccc1 95554549 WCOPBGMZNVJCMU-CQSZACIVSA-N 369.352 2.251 0 1 FEAF CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)[C@@H]4C[C@@H]5OC(=O)C=C1[C@]5(C)[C@H]2[C@]43C 257604284 WKNPIBKVHHVICI-SFJWYKOUSA-N 360.406 2.029 0 1 FEAF endogenous,in-man O=C(O)CCC[C@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)CCCCCO 263614407 JGHYLPPTOXKEKH-HYQAYTNRSA-N 368.470 2.102 0 1 FEAF in-vitro CC1CCC(NS(=O)(=O)Cc2nc3ccc(C(=O)O)cc3[nH]2)CC1 586952015 AIOHBNZKOHRETR-UHFFFAOYSA-N 351.428 2.259 0 1 FEAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CS(C)(=O)=O 587863517 MMIJRURQJDRGLU-UHFFFAOYSA-N 362.329 2.262 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc3c(c1)CCC(=O)N3)O2 587399394 IRJHWMHFLWKNMT-HXUWFJFHSA-N 366.373 2.407 0 1 FEAF COc1cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2cn1 587023422 ARGPBXGSVPOLBY-UHFFFAOYSA-N 362.415 2.756 0 1 FEAF CC(C)c1nn(C)c2c1[C@@]1(CCC[C@@H](c3cnc(O)nc3O)C1)NCC2 962913237 BWRKSUAQKPFLLR-BLVKFPJESA-N 357.458 2.444 0 1 FEAF O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21 4101844 OMOVATYNTQVNHY-UHFFFAOYSA-N 360.435 2.447 0 3 FEAF O[C@@H]1[C@@H](NCC2CCCC2)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1 2356297219 QBWBFXUJDHYTEW-XNTOXWQXSA-N 369.465 2.356 0 1 FEAF CCc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 28096030 ONHWCFKSQGOTCY-UHFFFAOYSA-N 365.436 2.205 0 1 FEAF COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cn3)CC2)c1 27650357 LCDNIOLBPDHUNV-UHFFFAOYSA-N 374.872 2.296 0 1 FEAF C[C@@H]1C[C@@H](O)[C@@]23CO[C@@H](O)[C@@H]2CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O 34443939 FPNYZEUDIBOJQA-IGXGDFQMSA-N 362.422 2.406 0 1 FEAF CC(=O)NC[C@H]1CN(c2ccc(N3C[C@H](F)C4(CC4)C3)c(F)c2)C(=O)O1 40395731 BLDDCRQUPYWLGK-BBRMVZONSA-N 365.380 2.225 0 1 FEAF C[C@H]1C[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@H](O5)C1=O 40670490 VHCBVNYAJHXYLS-NSWMSAIFSA-N 369.461 2.162 0 1 FEAF C=CCNC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)O[C@@H]3CC[C@H]2[C@]1(C)CO 43554351 BBVFGRRFXXASRT-QMWCDGKBSA-N 351.443 2.408 0 1 FEAF biogenic C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299884519 TYKANTMROQEWMF-RIZZVSFDSA-N 366.502 2.159 0 1 FEAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3ccncc3[nH]2)cc1 586947256 VGZQPAGAVSIEDQ-ZDUSSCGKSA-N 358.423 2.082 0 1 FEAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587142134 KIYZDFVKWDIWAX-UHFFFAOYSA-N 360.292 2.430 0 1 FEAF CN1C[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1=O 587661096 MHGJDEJCBSBWPC-ZDUSSCGKSA-N 365.364 2.321 0 1 FEAF Cc1ncsc1CCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587028622 XLSRXLCJLIYOIR-UHFFFAOYSA-N 350.469 2.363 0 1 FEAF CCc1nnc2n1C[C@H](C(=O)n1ncc3ccc(Cl)cc3c1=O)CC2 587655237 XXINUZGPDBODAX-LLVKDONJSA-N 357.801 2.107 0 1 FEAF Oc1cc(O)nc(SCc2nc3cncc(Br)c3[nH]2)n1 586967328 XSMXSYLAJYXECW-UHFFFAOYSA-N 354.189 2.214 0 1 FEAF COc1cc([C@@H]2C[C@@H](O)C[C@@H]([C@@H](O)Cc3ccc(O)cc3)O2)ccc1O 14686749 UKFYIKOSRJMAAB-HYJFEMIMSA-N 360.406 2.291 0 1 FEAF C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCC(=O)N1CC(F)(F)F 169304868 LHXQQXFPGCIQQI-OAHLLOKOSA-N 358.316 2.340 0 3 FEAF COc1ccc([C@H]2[C@@H](C(C)=O)C(=O)C(=O)N2c2nccs2)c(OC)c1 169690674 WXFQKXPFULXBLO-KGLIPLIRSA-N 360.391 2.023 0 1 FEAF COCCCOc1ccc2c(c1)[C@H](N(C(=O)[C@H]1CNCCO1)C1CC1)CC2 203694254 ZIEDPAVQQOPNPM-WOJBJXKFSA-N 374.481 2.069 0 1 FEAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NC[C@@H](O)CO)cc1 774459 OZYZIJMVIBSXHA-CYBMUJFWSA-N 374.418 2.162 0 1 FEAF O=C(O)Cc1ccc2c(c1)C[C@H](CNS(=O)(=O)Cc1ccccc1)C2 27405779 DDQRBAFDRGCBCN-MRXNPFEDSA-N 359.447 2.148 0 1 FEAF Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)C1CC1)CC3 82195968 DCFCTVCPFFIWEB-UHFFFAOYSA-N 368.462 2.209 0 1 FEAF CC(C)(O)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CCCC3=CC(=O)O[C@H]3O)CO2)CO1 238782133 CBCBSGOYCHYUBI-TZQYPOLLSA-N 368.470 2.320 0 1 FEAF O=C(NC1=CC2=NC(Cc3c[nH]c4ccccc34)=N[C@@H]2C=C1)[C@@H]1CCCN1 621478342 PEPZSAPGHIMNRQ-MSOLQXFVSA-N 359.433 2.254 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1C[C@H](O)[C@]13COC(=O)[C@H]1C=CC[C@@H]32 85692985 FEZPPVYOZYNLPZ-IROHWTCSSA-N 358.390 2.390 0 1 FEAF biogenic Cn1ncc(C(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)n3C)c1O 299869655 VAGWCJOJLMALTN-UHFFFAOYSA-N 362.389 2.058 0 1 FEAF CN(Cc1nc2c(N)ccnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929073 QUDDZUQTXROONZ-UHFFFAOYSA-N 351.819 2.014 0 1 FEAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CCCCCO)CC(=O)N21 16040623 JKSICWSQWCLAPG-QGZVFWFLSA-N 369.465 2.161 0 1 FEAF biogenic NS(=O)(=O)c1ccc(NC(=O)c2ccc3cc(C(=O)O)ccc3c2)cc1 200778478 HADQUZRTYDLKCT-UHFFFAOYSA-N 370.386 2.438 0 1 FEAF COc1ccccc1C(=O)N1C[C@H](F)[C@H](OCc2nc3cccnc3[nH]2)C1 2356302466 WCXKIMRYEWPEOW-XJKSGUPXSA-N 370.384 2.346 0 1 FEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C[C@@H]([C@@H](C)CO)[C@H]1C[C@@H]23 2356370123 XHXATGWZFXQDLS-OFDMQNFLSA-N 354.450 2.129 0 1 FEAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@H]([C@H](O)CCCCCC[C@H](O)CC(=O)O)CCN21 2356311378 KUWUFIMFEHTJGO-WVXCVLBUSA-N 371.518 2.147 0 1 FEAF COc1cccc(-c2nc3n(n2)[C@H](c2ccccn2)C(C(N)=O)=C(C)N3)c1 4139215 UKFDGNSZXRDCFB-MRXNPFEDSA-N 362.393 2.123 0 1 FEAF C/C=C1/CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4cc(O)ccc43)[C@H]3C[C@H]1[C@@H]2CO3 103557405 VYZFRSLZSBLYIC-QFBVJIFRSA-N 370.449 2.223 0 1 FEAF biogenic,in-vitro C[C@H](CN1CCCCC1)OC(=O)[C@@H]1CCCN1C(=O)C(=O)C(C)(C)C 25967840 ZXLCGASABXGHLF-CABCVRRESA-N 352.475 2.010 0 1 FEAF CO[C@H]1CC[C@@H](c2ccc(N3C[C@@H](CNC(C)=O)CC3=O)cc2)CCC1=O 26753219 XWKBCRDTRAIEOR-SYNHAJSKSA-N 372.465 2.417 0 1 FEAF COc1c(C)c2c(c(OC)c1CC=C(C)[C@@H](O)CC(=O)O)C(=O)OC2 2356578787 FLHIJSDWAVXPEH-ZDUSSCGKSA-N 350.367 2.007 0 1 FEAF Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccccc1 117866747 RJXIQUMBMLJTTJ-HZPDHXFCSA-N 362.368 2.489 0 1 FEAF COc1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NCC(C)C)cc1 2356841470 NJCDZILXYSAIGJ-QBPKDAKJSA-N 350.415 2.024 0 1 FEAF CN(C)C[C@H](O)Cn1c2cc(=O)c(=O)cc-2sc2ccc(Cl)cc21 39207013 REEBVIZJIHXSIU-NSHDSACASA-N 364.854 2.104 0 1 FEAF COc1ccc(Cc2cc([C@@H]3OC4(CC4)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1 49113004 FDFVSQGTXOEPAL-CGXNFDGLSA-N 370.445 2.281 0 1 FEAF CCc1cnc(N)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 89469241 DUPCLSQZFSNKPY-MRXNPFEDSA-N 351.410 2.080 0 1 FEAF CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)c2cccs2)c1=O 25411182 CQGYVQISWUDQRA-OLZOCXBDSA-N 357.435 2.128 0 1 FEAF biogenic CCC1=C(O)CC(O)=C([C@@H]2NN[C@H](C)[C@@H]2[C@@H]2N[C@H]3CCCC[C@H]3N2C)C1 254046640 HUFRUXGBKDWBPS-JXIKAEEQSA-N 362.518 2.468 0 1 FEAF Cc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](F)[C@H]2F)c(O)nc1=O 253634540 PQQRFJCTYYBOKY-IXYNUQLISA-N 352.337 2.048 0 1 FEAF COC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591472 CNFGKOBKVXANRA-QFBILLFUSA-N 358.346 2.302 0 1 FEAF NC(=O)NCCC[C@H](N)c1nc2cc(Cl)cc(Br)c2[nH]1 587259863 NUBFXUWOAQDRIL-QMMMGPOBSA-N 360.643 2.427 0 1 FEAF CC(=O)N1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]2C1 12604982 JACYZXVKXJBZLG-MRXNPFEDSA-N 355.419 2.040 0 1 FEAF biogenic O=C(CCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCCCC1 13648161 CYCVEDRJDDPJID-KRWDZBQOSA-N 363.502 2.173 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2[C@H](O)CC(=O)[C@]21C 169655186 GLHMGBSDKSSHQL-TYXVDZKKSA-N 364.438 2.038 0 1 FEAF COc1ccc(-c2cc(=O)n3[nH]c(=O)c(-c4ccccn4)c3[nH]2)c(OC)c1 204409135 ASJBRJRRKDXEKS-UHFFFAOYSA-N 364.361 2.062 0 1 FEAF CC(C)c1ccc(-c2cn([C@@H]3O[C@H](CO)C[C@H]3O)c3ncnc(N)c23)cc1 1857543036 YMKBVUYVCNEMKT-YYFZDKIDSA-N 368.437 2.445 0 1 FEAF Cc1c(C(=O)Nc2ccccc2)sc(NC(=O)c2cn[nH]c2)c1C(N)=O 1857574188 MVEFUSYGZKWNGF-UHFFFAOYSA-N 369.406 2.383 0 1 FEAF N[C@@H]1C[C@@H]2CC=Cc3c(c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c34)N2C1 113151582 XCMXGAWVDBMBMG-PWSUYJOCSA-N 369.396 2.497 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@H]1C 2356427391 YGLWOPSYLJYZQF-PGKZWWCTSA-N 362.422 2.163 0 1 FEAF CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)c1 2457694 CABZLMVDXAQXCR-UHFFFAOYSA-N 373.390 2.228 0 3 FEAF Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(N2CCN(C)CC2)c1F 29547607 JFABBKYOADGDSS-UHFFFAOYSA-N 361.396 2.496 0 1 FEAF CC(C)[C@]1(F)O[C@H]2[C@@H]3O[C@@]34[C@@]3(C)CCC5=C(COC5=O)[C@@H]3C[C@@H]3O[C@@]34[C@H]21 29126414 BOAHFLFGLUURHK-SHGJBXLQSA-N 362.397 2.285 0 1 FEAF COc1ccc(-n2nnnc2-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1 103262764 RFXJWUVNMUCXBV-UHFFFAOYSA-N 356.363 2.031 0 1 FEAF O=C(O)C[C@H]1CCc2cc(NC(=O)/C=C/C3CCNCC3)ccc2C1=O 27300620 FNHRZNMQPPDBFU-KDQAPYGTSA-N 356.422 2.401 0 1 FEAF O=C(CN1CCCCC1)Nc1scnc1C(=O)Nc1nccs1 28113800 YSDROGRUJBHEBM-UHFFFAOYSA-N 351.457 2.276 0 1 FEAF Cc1cc(NC(=O)COc2ccc(/C=C3\SC(=O)NC3=O)cc2)no1 64453558 UOUWNUHEPZRRHG-GHXNOFRVSA-N 359.363 2.324 0 1 FEAF CC[C@@]1(O)C(=O)Cc2c1cc1n(c2=O)Cc2cc3cc(F)c(F)cc3nc2-1 26643426 CEXHYAFUVODQOF-FQEVSTJZSA-N 368.339 2.426 0 1 FEAF C[C@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@H](O)[C@]2(O)CO)[C@@]1(C)CCc1ccoc1 36378727 HPTJKMDEFYCHJK-IVURAULGSA-N 352.471 2.120 0 1 FEAF COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCC(C)C)CO[C@H]23)cc1 4236497 NJCDZILXYSAIGJ-YLFCFFPRSA-N 350.415 2.024 0 1 FEAF biogenic CCCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)[C@H](C)CN2 82212013 XAVBPKNJAGIBSI-CYBMUJFWSA-N 358.442 2.417 0 1 FEAF CC[C@@]1(C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2NC1=O 96258741 PNKQJHSWMZYLJY-GOSISDBHSA-N 373.434 2.338 0 1 FEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(C(=O)O)c2[nH]1 586951044 HCUICBABWPUYLP-UHFFFAOYSA-N 352.397 2.065 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587232240 URKJTGCXNVJCRZ-GHMZBOCLSA-N 363.389 2.437 0 1 FEAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ncc[nH]c-4n3)CC2)cc1 586955381 WSJDWDMQJBVIFS-UHFFFAOYSA-N 357.439 2.181 0 1 FEAF O=C(O)[C@H]1[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@H]1C(=O)O 587971204 WCEOQLXKAHSAFY-WHUPJOBBSA-N 359.563 2.478 0 1 FEAF COC(=O)[C@@H]1CSC[C@@]12c1cc(OC)c(OC)cc1C[C@H](C)N2C 962576290 SZWROOZKUIZUNZ-KQYVJACZSA-N 351.468 2.312 0 1 FEAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCOCC(=O)O 13836416 UWFCXHGOHSCEDY-XPLDUGHQSA-N 374.499 2.027 0 1 FEAF CN1Cc2c3c(cc(O)c2[C@@H]2[C@@H](O)Cc4cc5c(cc4[C@@H]21)OCO5)OCO3 14922999 RWDWPBLTGUWECU-NXXSPTCGSA-N 369.373 2.037 0 1 FEAF biogenic,in-vitro C[C@H](c1cc(OC(=O)N2CCOCC2)c2ncccc2c1)N1CCOCC1 1857621185 CZTROFGRSNHPQM-OAHLLOKOSA-N 371.437 2.459 0 1 FEAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@@]1(O)CCC1=CC(=O)O[C@H]1O 2356320105 GGIXZFAMVYMLGS-SAMXMHIHSA-N 364.438 2.077 0 1 FEAF COc1ccc([C@@H]2c3cc4c(cc3O[C@@H](NCCO)[C@H]2C)OCO4)cc1 105520909 MFAQRALUOKQDAT-NXXCRTJYSA-N 357.406 2.492 0 1 FEAF Cn1ncc(N2CCN(Cc3ccc(-c4ccccn4)cc3)CC2)cc1=O 20601631 WJACBJKINYXOJH-UHFFFAOYSA-N 361.449 2.165 0 1 FEAF CO[C@H]1CC[C@@H](c2ccc([C@@H]3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O 26823384 WCRVYIZHQXJKDN-CAIZAGQASA-N 373.449 2.464 0 1 FEAF COc1cc(O)c2c(c1)O[C@H](c1cc(O)c(OC)cc1O)[C@@H](OC)C2=O 69482475 HYLPFFLBZZFVCL-MSOLQXFVSA-N 362.334 2.152 0 1 FEAF biogenic,in-vitro Clc1ccc(CN(CCn2cncn2)CCn2cncn2)c(Cl)c1 64516211 SXTNBLATHWGNCZ-UHFFFAOYSA-N 366.256 2.379 0 1 FEAF CN1CCN(c2ccc(S(=O)(=O)Oc3ccc(F)cc3)cc2)C1=O 118393266 SBPPKUCYUYMUNT-UHFFFAOYSA-N 350.371 2.465 0 1 FEAF CCN(CC)C(=O)c1c(N2CCN(C)CC2)c2ccccc2n2cnnc12 40916872 YALNFDZGPBZGAM-UHFFFAOYSA-N 366.469 2.116 0 1 FEAF O=S(=O)(NCCO)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)cc1 43206369 XMLJHUDPEAJQOK-UHFFFAOYSA-N 357.435 2.378 0 1 FEAF C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@H](O5)C1=O 40670492 VHCBVNYAJHXYLS-ITNWBQQISA-N 369.461 2.162 0 1 FEAF CCc1nc(C(=O)N[C@@H](C(=O)OC[C@H]2CCCN2C)C(C)C)cs1 82070367 CVFZNWFOSZDUNX-IUODEOHRSA-N 353.488 2.097 0 1 FEAF CC(=O)N1c2c(O)cccc2[C@]23CC[N+]4=C2[C@](CC(=O)O)(CCC4)CC[C@H]13 238788735 ZSAMFKDQDRVAQP-DQLDELGASA-O 369.441 2.271 0 1 FEAF COC(=O)[C@@H](CNCCc1ccc(OC)c(OC)c1)[C@@H](O)c1ccccc1 98082738 JHAWMFYGVUBJJC-PXNSSMCTSA-N 373.449 2.359 0 1 FEAF CSc1ncc2c(n1)-c1c(c(C(N)=O)cn1[C@H]1CC[C@@H](N)CC1)CC2 261081081 BRAYMNJVFKIQLD-TXEJJXNPSA-N 357.483 2.307 0 1 FEAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Br)cnc3[nH]2)c1 587142140 KVJPGQZSHGRCNP-UHFFFAOYSA-N 371.191 2.174 0 1 FEAF COc1cc(-c2nc3c(O)nc(S)nc3[nH]2)nn1-c1ccccc1F 587156463 OKNNCGIPGGMORX-UHFFFAOYSA-N 358.358 2.348 0 1 FEAF CN1C(=O)C[C@H]2CN[C@@](c3cnn(C)c3)(C(F)(F)F)c3cccc1c32 963016079 CGPRMRLWEGECJL-MGPLVRAMSA-N 350.344 2.279 0 1 FEAF CC1=C([C@@]2(C)NCCc3c2c(C(C)C)nn3C)[C@H](C)n2ncnc2N1C 962919477 KSCFMJCYVZPBOH-ORAYPTAESA-N 355.490 2.481 0 1 FEAF CCOP(=O)(OCC)[C@@H]1N=C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169593293 BXJNWHVUCMPYQT-RDBSUJKOSA-N 350.311 2.469 0 1 FEAF CN(C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21)S(C)(=O)=O 149349719 DDXRLZGPCKYNQY-ZDUSSCGKSA-N 368.405 2.325 0 1 FEAF NC(=O)c1ccc(N2CCCCC2)c(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4881488 PZLHHNNDLKIJFJ-WVMBZCLNSA-N 365.433 2.087 0 1 FEAF CC(C)(C)CN1C[C@H](O)CN(C(=O)c2cccc(C(F)(F)F)c2)CC1=O 105849203 BNYJWQCVSHONSX-CQSZACIVSA-N 372.387 2.397 0 1 FEAF Cc1nc(C(=O)Nc2cccc([C@]3(C(F)F)COCC(N)=N3)c2)co1 113659989 GBUZSUPNECMGRX-INIZCTEOSA-N 350.325 2.083 0 1 FEAF C[C@@]1(C(=O)O)CCC[C@@]2(C)C3=CC[C@]4(O)C[C@@]3(CC[C@H]12)C[C@]4(O)CO 34553862 KSUJTHWJHKZHAD-PJKJDQBBSA-N 350.455 2.242 0 1 FEAF biogenic,in-vitro O=C1CC[C@H](c2ccc(O)c3c2C(=O)C[C@@H](O)[C@H]3O)c2cccc(O)c21 14927412 XSQFLXZDKVXARD-NKVCJQQFSA-N 354.358 2.187 0 1 FEAF biogenic O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](O)[C@H]2CCCC[C@H]12 195351437 OXOQFLQOQYZUGT-GDZNZVCISA-N 364.833 2.437 0 1 FEAF COC(=O)c1cc2nc(CCNC(=O)OCc3ccccc3)[nH]c2cn1 587228677 WHMBTMFBBKSZNJ-UHFFFAOYSA-N 354.366 2.213 0 1 FEAF COc1ccc(C=O)c2cc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)oc12 586904601 YWMQFXYWNTUHGK-UHFFFAOYSA-N 371.374 2.445 0 1 FEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(CCN(c3ccccc3)C(=O)C2)N1 962926593 XSXBKMQUNALKNO-OXJNMPFZSA-N 354.381 2.447 0 1 FEAF CC(C)(CO)CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 11661776 UZPFRIOCBLFWPF-UHFFFAOYSA-N 374.481 2.215 0 3 FEAF O=S(=O)(c1ccccc1)n1cc2c3c(cccc31)N1CCNC[C@H]1C2 169351340 GJMOESWNGQCUNG-OAHLLOKOSA-N 353.447 2.213 0 1 FEAF CC1(C)[C@@H](C(=O)NN2CCN(c3cnccn3)CC2)[C@H]1c1ccc(F)cc1 1857642331 QPQLSOMRFZEYKS-QZTJIDSGSA-N 369.444 2.209 0 1 FEAF Cc1noc2ncnc(N3CCC[C@@H](C(=O)NCCCOC(C)C)C3)c12 7004564 CTDKRUDHWPVRCB-CQSZACIVSA-N 361.446 2.074 0 1 FEAF Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 102245178 ROIWDFYDDLDZKE-AHCXZYCDSA-N 372.465 2.209 0 1 FEAF Cc1ccc(C(N)=O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1 28950541 RJFKMWMYHHXZDG-UHFFFAOYSA-N 362.393 2.470 0 1 FEAF CCCN([C@@H]1COc2cccc(OC)c2C1)N1C(=O)[C@H]2CCC[C@H]2C1=O 28764252 GMZUEVUOVVLGAB-SOUVJXGZSA-N 358.438 2.411 0 1 FEAF CC(C)[C@H]1[C@@H](OC(=O)[C@H](C)[C@H](C)O)C[C@@H](C)C(=O)CC=C2C[C@H]1OC2=O 2356550577 XUKCXWUWJUJRFG-HQIBLGDXSA-N 366.454 2.428 0 1 FEAF O=c1c2cccc3c2n(c(=O)n1-c1cccc(Cl)c1)CCN3CCCO 34948272 GOGQUTJQGHXAEK-UHFFFAOYSA-N 371.824 2.008 0 1 FEAF CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1coc2ccc(C)cc2c1=O 71340754 KTBMEJTXXYEKJJ-OAHLLOKOSA-N 358.419 2.457 0 1 FEAF COC(=O)C[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCC1 40465331 BDSGORUQKJQUNZ-ZDUSSCGKSA-N 351.399 2.027 0 1 FEAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2C2CCOCC2)C1 144820510 BTXMSLGTIPJVDH-UHFFFAOYSA-N 363.421 2.487 0 1 FEAF CCCN1CCC2(CCN(C(=O)CNC(C)=O)CC2)Oc2ccccc21 95594690 MKWLHPWASGCRHJ-UHFFFAOYSA-N 359.470 2.183 0 1 FEAF CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(C)=O 473166703 GAXWIAFRNQPJQA-UHFFFAOYSA-N 367.380 2.462 0 1 FEAF N[C@@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccccc1Cl 587058677 ICCFGWNIGNGETI-LBPRGKRZSA-N 350.831 2.106 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 586888626 WYBKOVZYQXLMTF-FRRDWIJNSA-N 359.451 2.452 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(N)=O)c(OC)c1)[C@@H](C2)C3=O 587432403 LMSCQEDLFOVGSZ-RBZFPXEDSA-N 369.373 2.057 0 1 FEAF COc1cc2c(cc1OC)[C@@](C)(c1c(C)[nH]n(C(C)=O)c1=O)N(C)[C@@H](C)C2 962621950 HYKMHNQCYAKRED-YBTHPKLGSA-N 373.453 2.302 0 1 FEAF O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)Nc1cnc2ccccc2c1 104209543 ZJEUUDOBFLQKBE-MBLGUKAXSA-N 373.412 2.226 0 1 FEAF CO[C@@H]1CC[C@@H](c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O 26823758 WVXAUICBQMLGGS-KVSKMBFKSA-N 374.437 2.390 0 1 FEAF O=C1C=CC[C@H](C=CC[C@H](O)C[C@@H](O)C[C@@H](O)C=Cc2ccccc2)O1 2356733937 HDJDRGQCGAWPGK-HAGHYFMRSA-N 358.434 2.381 0 1 FEAF COC(=O)[C@@]1(C(F)(F)F)[C@@H]2C=C[C@@H](C2)N1S(=O)(=O)c1ccccc1 4594481 YIXUIFBSFAJCOS-UHIISALHSA-N 361.341 2.110 0 1 FEAF COc1cccc([C@H](O)[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)c1 66261969 NIAUXNVQWNKKKL-JVPBZIDWSA-N 356.374 2.489 0 1 FEAF Cn1c(O)c([C@]2(C)NNC(=O)N2c2ccccc2)c(=O)c2ccccc21 3846461 BPHIEAAKXHYNMN-LJQANCHMSA-N 350.378 2.151 0 1 FEAF biogenic CN1C[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1=O 473245011 SFXKIJRUYJVHCF-KPFBPEDLSA-N 356.466 2.311 0 1 FEAF S=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCOCC1)Nc1ccccc1 43526547 ACAMIWCGVBLJJL-ZIFCJYIRSA-N 374.554 2.016 0 1 FEAF biogenic Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2cccc(F)c2)C3=O)n1 653753968 DDNRSIRWWUFMOS-UHFFFAOYSA-N 367.340 2.266 0 1 FEAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1[C@H](O)C(=O)O)[C@@H](C2)C3=O 587455254 KZLHXMGEFAQHLK-VHFSOBRXSA-N 354.358 2.476 0 1 FEAF COc1cncc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587203391 OWZXDPOREXUNGB-LBPRGKRZSA-N 370.365 2.409 0 1 FEAF O=C(O)Cc1nn(Cc2nc(-c3ccccc3)no2)c(=O)c2ccccc12 13449010 FQELKXJYAGISES-UHFFFAOYSA-N 362.345 2.122 0 1 FEAF CC1=C2[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O 13486241 MTYSOJAHTIASFA-WCAZCZGXSA-N 364.438 2.135 0 1 FEAF endogenous,in-man C[C@@H]1O[C@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@@H](O)C[C@@H]1O 169363427 XIOVVYUXTAJUCE-KTPFSLFISA-N 364.438 2.285 0 3 FEAF CCn1c(Cn2cnc3c(N4CCOCC4)ncnc32)nc2ccccc21 1857641627 RJZWKTWNRFFGCD-UHFFFAOYSA-N 363.425 2.081 0 1 FEAF CCS(=O)(=O)c1nnc(COc2cc(C)c3c(C)cc(=O)oc3c2)o1 1857771468 XDQVAADXOTZULG-UHFFFAOYSA-N 364.379 2.165 0 1 FEAF O=c1[nH]c2ccc(N3CCC[C@H](CO)C3)nc2nc1Cc1ccc(F)cc1 766880 KUNDXBJHVWWBOU-AWEZNQCLSA-N 368.412 2.257 0 1 FEAF CCOC(=O)Cc1nc2nc(N3C[C@H](CC)CC[C@H]3C)ccc2[nH]c1=O 2497956 RIQJFFQIEJMHJK-CHWSQXEVSA-N 358.442 2.439 0 1 FEAF Cc1nc([C@H](O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)c(C)o1 26576480 AIVXGMLGIUUFHH-KGLIPLIRSA-N 362.407 2.298 0 1 FEAF COc1cc(N)c(Cl)cc1C(=O)NC1CN2Cc3ccccc3CN2C1 28757983 VYGIBRBIGLIVFG-UHFFFAOYSA-N 372.856 2.276 0 1 FEAF CO[C@H]1O[C@@H](OC)C2=C1[C@]1(C)CCCC(C)(C)[C@H]1[C@@H](OC(C)=O)[C@H]2O 2356786152 ZEDMMLGFFDFHCX-WEVKLEIESA-N 354.443 2.397 0 1 FEAF COc1ccc2c(c1)[n+]([O-])c(C(=O)c1cccs1)c(C(F)(F)F)[n+]2[O-] 28861761 AQWVDTQWUZDZLY-UHFFFAOYSA-N 370.308 2.427 0 1 FEAF Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCCc2cccc(F)c2)c1 40402515 NESZTSPBRDBHCW-FXAWDEMLSA-N 372.488 2.091 0 1 FEAF in-vitro CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NCC(C)C)ncnc21 82177846 GVYSJJCGDJXNFD-UHFFFAOYSA-N 368.441 2.403 0 1 FEAF CCc1nc(C(=O)N2CCC[C@H](C(=O)OCCCCN(C)C)C2)cs1 82069656 DISICFRXOPKLTO-AWEZNQCLSA-N 367.515 2.443 0 1 FEAF C=C1C[C@H](O)[C@@H]2[C@H](CN3CCCCCC3)C(=O)O[C@@H]2[C@@H]2[C@H](C)C(=O)C[C@@H]12 299884431 TUNAZEXGIWWQBP-BXNKJEFBSA-N 361.482 2.182 0 1 FEAF O=C1CSC[C@H](c2nc3ccc(I)cc3[nH]2)N1 587044210 RWENVTKGIHVURQ-SECBINFHSA-N 359.192 2.072 0 1 FEAF COC(=O)Cc1c(/C(Cl)=C/C(=O)O)oc2cc(C)cc(O)c2c1=O 13386381 OIGIYRMZWBAKKC-TWGQIWQCSA-N 352.726 2.187 0 1 FEAF CC(C)(CCS(C)(=O)=O)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857618665 QDAKMSNBCYZPNH-UHFFFAOYSA-N 371.466 2.134 0 1 FEAF CCN1CCC[C@@H]1CNC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21 4961718 PQANPRZTFIXLHM-CQSZACIVSA-N 368.437 2.052 0 3 FEAF Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@@H]2OC(=O)[C@H](O)[C@@H]2O)cc1C 105166052 ASVMLLDTIZTDOP-BURNTYAHSA-N 370.445 2.060 0 3 FEAF CCCn1c(=O)c2nc([C@H]3CCCC[C@@H]3C(=O)O)[nH]c2n(CCC)c1=O 29548338 SNLPCMKKVDHGMR-RYUDHWBXSA-N 362.430 2.065 0 1 FEAF CCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 36387855 ITVUVUIKSZERSL-HNNXBMFYSA-N 361.467 2.304 0 3 FEAF O=S(=O)(CC1=NCCO1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 72118508 QPDFVRWYZZOMGC-MOPGFXCFSA-N 370.430 2.374 0 1 FEAF O=C1[C@@H]2[C@@H](C(=O)N1CCC(=O)n1cnc3ccccc31)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 195122654 NLRDWJJCYOHFLS-CTYDGOOKSA-N 361.401 2.120 0 1 FEAF COc1ccc2c(nc(-c3ccc(P(=O)(O)O)o3)n2CC(C)C)c1N 45316034 IBNKEBKDHXZAPY-UHFFFAOYSA-N 365.326 2.346 0 1 FEAF COC(=O)c1cc2c(cc1OC)CCN1CCC3=C[C@H]4OCO[C@H]4C[C@@]321 85948400 WVGKKVOLNYNBFM-WSTZPKSXSA-N 357.406 2.011 0 1 FEAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(S(N)(=O)=O)cc3[nH]1)CC2 587947014 QFHKELZDRCMMOQ-LBPRGKRZSA-N 357.435 2.491 0 1 FEAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 586882089 JWKOKHJJCCZBFD-UHFFFAOYSA-N 371.418 2.139 0 1 FEAF O=C1C[C@H](C(=O)O)Nc2cc(I)cc(Cl)c21 13455138 BNRJVYMKBLRQQJ-SSDOTTSWSA-N 351.527 2.396 0 1 FEAF CCOC(=O)COC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 13560480 GUVIYXHDBVMZJB-UHFFFAOYSA-N 366.458 2.141 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4nnc(C)o4)ncc23)ccn1 205439018 UIGSVZCMQVQVCJ-UHFFFAOYSA-N 364.369 2.341 0 1 FEAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@@H]2[C@@H]1C 2356338784 CXAMELXYQHONHH-WWKVOSCQSA-N 350.503 2.229 0 1 FEAF COc1ccc(CCNC(=O)[C@H]2NC(=O)C[C@H]2c2ccccc2)cc1OC 4928896 CMIVSLLRJCOTMJ-JXFKEZNVSA-N 368.433 2.035 0 1 FEAF COC(=O)c1cc(-n2cc(-c3cc(OC)ccc3OC)nn2)ccc1O 53229753 OQXNULNTAPJHLK-UHFFFAOYSA-N 355.350 2.444 0 1 FEAF C[C@@H]1CC[C@@H]1n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 27621098 KKEZSOIPESLRDU-ABAIWWIYSA-N 359.401 2.219 0 1 FEAF O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1 28235823 HZDNKUBXMSGHSC-INIZCTEOSA-N 353.440 2.325 0 1 FEAF O=C1N=C(O)C[C@]12c1ccccc1S(=O)(=O)N2Cc1ccc(F)cc1 27523834 SFTMWIDFQUQWAL-KRWDZBQOSA-N 360.366 2.112 0 1 FEAF CCCCCCN1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1COCCN12 2356289273 SFVCDJDYFUGJAF-FQEVSTJZSA-N 371.525 2.478 0 1 FEAF CO[C@H]1CC[C@H](n2c(=O)c(-c3cn[nH]c3)cc3c(C)nc(N)nc32)CC1 116026135 MSWXKPHFXJRTLF-BETUJISGSA-N 354.414 2.202 0 1 FEAF C[C@@H]1C[C@@]23C[C@@](C)(CCC[C@@H]2[C@@]1(CO)CCC(=CCO)CO)OC3=O 2356532714 UWTGBDCCWCEIBB-QSQZVVNTSA-N 352.471 2.188 0 1 FEAF COc1cc([C@H](O)[C@@H](CO)Oc2ccc(CCCO)cc2C)ccc1O 2356640112 PHIVNUJAJIMVQE-UXHICEINSA-N 362.422 2.107 0 1 FEAF CCOC(=O)c1sc2cnccc2c1Nc1ccc2c(c1)=CCC=2NO 64744212 CROUIRAPWZHAFI-UHFFFAOYSA-N 367.430 2.488 0 1 FEAF in-vitro COCC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 210754380 MJBQQQOHPBIIRR-LLVKDONJSA-N 368.397 2.426 0 1 FEAF CN(CC(=O)N1CCCCC1)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085709 MFNRZFPLQDGKKY-UHFFFAOYSA-N 371.393 2.155 0 1 FEAF CC(=O)/N=c1\[nH]c(-c2ccc3ncnn3c2)c(-c2ccc(F)c(C)n2)[nH]1 40935333 CLWJRULKTFGNLL-UHFFFAOYSA-N 351.345 2.009 0 1 FEAF Cn1cc2c(n1)CCCN2c1cnc2[nH]cc(C(=O)NC(C)(C)C)c2n1 145143970 HIVDHCDMABRACE-UHFFFAOYSA-N 353.430 2.304 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H]3OC(=O)[C@H]1[C@]23C 238732224 OWACIDNMPZLRTG-LBHLHHGYSA-N 360.406 2.468 0 1 FEAF C[C@@H]1OC=C(C(=O)O)[C@H]2Cc3c4[nH]c5ccc(O)cc5c4cc[n+]3C[C@@H]12 238776730 XARBTHIRNUGDOE-XEGUGMAKSA-O 351.382 2.490 0 1 FEAF Cn1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)n1 96175532 APGCHGODXNGUTQ-UHFFFAOYSA-N 374.408 2.374 0 1 FEAF O=C(O)c1cn(C2CC2)c2cc(N3C[C@H]4CC[C@H]3CN4)c(F)cc2c1=O 253663506 JGNYZYABUWGSJV-PWSUYJOCSA-N 357.385 2.114 0 1 FEAF O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 299877169 GUTAYNSVZHYNJE-BQFCYCMXSA-N 367.405 2.156 0 1 FEAF COc1cc2c3c(c1)O[C@@]1([C@H]4[C@H]5C[C@@H]6[C@@H]4[C@]4(C(=O)O)[C@@H]1[C@H]5[C@@H]64)[C@@H](C2)C3=O 587453560 ZHIFXMPYRVYFLO-VNXZRDGPSA-N 350.370 2.024 0 1 FEAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2nc(Br)c[nH]c-2n1 587093812 HEHXUEXMDZCCOR-SCSAIBSYSA-N 352.114 2.197 0 1 FEAF Ic1cnc2ccc(-c3nc4cnncc4[nH]3)cn12 587188200 PMLDNMALFZESBX-UHFFFAOYSA-N 362.134 2.272 0 1 FEAF CN(C)C(=O)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 586950196 RLMUDTUPGAFYJX-UHFFFAOYSA-N 372.450 2.227 0 1 FEAF Cc1c(Br)cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1C 587970512 IYPKXCYVFZISGM-OWUUHHOZSA-N 353.172 2.441 0 1 FEAF CCOC(=O)CN1C(=O)N(CC)C(C)=C(C(=O)OC)[C@@H]1c1ccccc1 13816442 MGBMAOLCBKLRLH-KRWDZBQOSA-N 360.410 2.495 0 3 FEAF CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 102531490 PCTVPHUOMUFQJN-BCBCSNLJSA-N 354.406 2.219 0 1 FEAF CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[C@@H](C)c1ccccc1 20531788 MDNNZQDZKWUVCQ-AWEZNQCLSA-N 356.422 2.118 0 1 FEAF COc1ccc(Cl)cc1N1CCN(CCNC(=O)c2cccnc2)CC1 28476868 JTMOJSMZMFBXOQ-UHFFFAOYSA-N 374.872 2.296 0 1 FEAF CC1(C)CC(=O)N(CCCCN2CCN(c3ccccn3)CC2)C(=O)C1 28763150 PHKFBTWWCFDEFT-UHFFFAOYSA-N 358.486 2.159 0 1 FEAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2ncccn2)CC1 2356649267 GZWYMNZDRJCGRY-IPMKNSEASA-N 372.513 2.362 0 1 FEAF CC(C)(C)CC(=O)N1CCN2[C@H](CN(Cc3ccccc3)C[C@]2(C)CO)C1 2356656717 XGDIPCZDUAVTBJ-DENIHFKCSA-N 373.541 2.202 0 1 FEAF CC=C(C)C(=O)O[C@H](C)[C@](O)(C(=O)OC[C@@H]1CCN2CCC[C@H]12)C(C)C 2356698177 LOIDBGQADXQLMY-YZLZLFLDSA-N 367.486 2.299 0 1 FEAF CCC(=O)C[C@H](O)C=CC=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)C[C@@H](C)O 2356715725 PKZWOSPCXISENT-QWFGBESBSA-N 354.487 2.150 0 1 FEAF O=C1O[C@@H](O)[C@H](Cc2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2 136823887 OFNLHWUUBXCFIC-UBOKZLNTSA-N 368.341 2.262 0 1 FEAF C[C@H](O)CNc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1 223678270 HDAPHVRPLCQEFJ-WCQYABFASA-N 370.482 2.320 0 1 FEAF O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)C1CCC1 95894839 UIWMPEMTOGIUIE-NJDAHSKKSA-N 365.477 2.327 0 1 FEAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2nc(Cl)c[nH]c-2n1 587194086 KYAOOFLQURMDKO-SECBINFHSA-N 354.842 2.475 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C(=O)O)NC2)N1 587799425 WZGBNMVWBBWUKQ-ZBVHDKTDSA-N 357.223 2.154 0 1 FEAF COC(=O)C(=O)C[C@@]1(C(C)C)NCCc2cnc3c(OC)cccc3c21 963054226 HVWWYVKMZWKRKJ-FQEVSTJZSA-N 356.422 2.373 0 1 FEAF COc1cc(OC)nc([C@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)n1 962571039 OIDNDXGEWHRWCL-BBATYDOGSA-N 359.426 2.477 0 1 FEAF C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 13326082 SNZRAKOFDSGBRF-YICNLREQSA-N 358.390 2.039 0 1 FEAF biogenic COc1ccc(C(=O)C2=NO[N@]3O[C@@]23C(=O)c2ccc(OC)cc2)cc1 1857624284 FVQGMXXUZFHDKN-QUCCMNQESA-N 354.318 2.014 0 1 FEAF O=P(O)(O)C(Nc1ccc(Cc2ccccc2)cc1)P(=O)(O)O 13673771 UUWAWXLKQDUPIO-UHFFFAOYSA-N 357.239 2.328 0 1 FEAF CCS(=O)(=O)N1CCC[C@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@@H]21 7999017 UMGBFFAJXFXOIL-SNRMKQJTSA-N 364.511 2.428 0 1 FEAF COc1cc2c(cc1OC)[C@H]1C[C@H](N)[C@@H](N3CCCCCC3=O)CN1CC2 58494187 HNCSYKUUKHXRCJ-KSZLIROESA-N 373.497 2.105 0 1 FEAF CS(=O)(=O)N1CCCC[C@@H]1c1cc(C(=O)NCc2ccccc2)no1 61926672 HQKFJKXKSPIAAO-OAHLLOKOSA-N 363.439 2.091 0 3 FEAF CCCSc1cc2ccccc2cc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 28825536 DXRXJEQDVURCOA-RNJTYBCJSA-N 350.436 2.160 0 1 FEAF O=C(c1ccc(N2CCCC2)cc1)N1CCC(c2cc(=O)[nH]cn2)CC1 23581369 XYSHEVYVFHUMDE-UHFFFAOYSA-N 352.438 2.390 0 1 FEAF CO[C@H]1O[C@@H](OC)C2=C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@]3(C)[C@@]21O 2356503730 QWSNLCYZUAVRFO-ATDUKWRYSA-N 354.443 2.397 0 1 FEAF CCOC(=O)CN1C(=O)N[C@H](CCc2ccccc2)C(C(=O)OC)=C1C 72121363 ZNBKTOXWTOZYAV-OAHLLOKOSA-N 360.410 2.023 0 1 FEAF O=C1c2c(c3n(c(=O)c2O)CCCCC3)C(=O)N1Cc1ccc(F)c(F)c1 71316505 LNQBQRHAILOISO-UHFFFAOYSA-N 374.343 2.355 0 1 FEAF O=C(c1cnn2c1CCCC2)N1CCN(CCc2ccc(F)cc2F)CC1 73297158 SXPOMDJPLFPRSC-UHFFFAOYSA-N 374.435 2.498 0 1 FEAF Cn1cnc(C[S@](=O)Cc2ccc(I)cc2)c1 45300393 RDXRQOPUWORMDX-KRWDZBQOSA-N 360.220 2.474 0 1 FEAF CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 95903328 DGIMEPVAUFODOA-JZXOWHBKSA-N 364.490 2.007 0 1 FEAF COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 95894667 MGHMIPQLSFYHQM-DYXWJJEUSA-N 352.434 2.009 0 1 FEAF CCOc1ccc2nc(S[C@@H](C)C(=O)NS(C)(=O)=O)sc2c1 95576622 JFVSEGVRRFTMCD-QMMMGPOBSA-N 360.482 2.251 0 1 FEAF C[C@@H]1C[C@H]2C(=O)C(C)(C)[C@H](O)CC[C@]2(O)[C@@]1(C)CCC1=CC(=O)OC1 473118723 LEZWSCIWQQGIDL-FJQVFWQYSA-N 350.455 2.393 0 1 FEAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(C(N)=O)cc3[nH]2)cc1 586940556 AGTJBFUALZTEJQ-CMDGGOBGSA-N 370.434 2.061 0 1 FEAF CN(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)S(=O)(=O)c1cccnc1 586928846 LKEJDWLZNJEJSR-UHFFFAOYSA-N 372.237 2.480 0 1 FEAF CNc1nccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587745953 XTVHGIXPQYVTNR-XLKFXECMSA-N 351.223 3.044 0 1 FEAF O=C(Nc1nc(Cc2nc3cnnc(O)c3[nH]2)cs1)c1cccs1 587019645 RYSRYZDJKNFHIT-UHFFFAOYSA-N 358.408 2.420 0 1 FEAF COc1ccccc1CN1CCC[C@@H](n2cc(C(=O)N3CCCC3)nn2)C1 12133128 NRVACGBMWAPSFI-QGZVFWFLSA-N 369.469 2.360 0 1 FEAF F[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H]1OCc1nc2cccnc2[nH]1 2356373375 YSJSSGBWSBICFZ-GUYCJALGSA-N 370.384 2.426 0 1 FEAF C[C@@H](O)CC(=O)N1C(=O)c2c(cc3cccc4c3c2C(=O)N4C)C1(C)C 2356326385 WQIRGFAZJZHHBZ-SNVBAGLBSA-N 352.390 2.418 0 1 FEAF COC(=O)N1CC=C(c2ccc(C3=NO[C@@H](CNC(C)=O)C3)cc2)CC1 3985824 HQVQWQSXPXHAJX-QGZVFWFLSA-N 357.410 2.171 0 1 FEAF CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1 4687607 LDHNZGZCXFICKC-UHFFFAOYSA-N 372.402 2.442 0 1 FEAF CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCOCC3)[nH]2)c1 28241992 YNJUKWRUPNSFLS-UHFFFAOYSA-N 364.467 2.316 0 1 FEAF CO[C@H](Cc1ccc(O)cc1O)C(=CCc1ccc(O)cc1O)C(=O)O 2356458875 VMKRQTKNZYSPSG-GOSISDBHSA-N 360.362 2.320 0 1 FEAF Nc1nc(N)c2nc(CN(C=O)c3ccc(Cl)c(Cl)c3)cnc2n1 32220180 UTWKHPXTPKNQNO-UHFFFAOYSA-N 364.196 2.054 0 1 FEAF CCN(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)C(=O)COC 95895135 FGZZSXPQOAVEPM-VWPQPMDRSA-N 368.477 2.265 0 1 FEAF Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)c3cc[nH]n3)C2)n1 257201306 AHCOWQDUOIWEKK-CYBMUJFWSA-N 352.398 2.176 0 1 FEAF CS(=O)(=O)/C=C/CCNC(=O)Cc1ccc(OC(F)(F)F)cc1 618018160 UFKFMDJMHDYDTC-YCRREMRBSA-N 351.346 2.192 0 1 FEAF COc1ccccc1CNC(=O)Cn1ncn2c(cc3sccc32)c1=O 5108358 NHIRFAXCWRHOKB-UHFFFAOYSA-N 368.418 2.036 0 1 FEAF CC(=O)Nc1cc(-c2ccc(CN3CCOCC3)cc2)cn2c(C)nnc12 1857590317 YPABXFBSLLOASI-UHFFFAOYSA-N 365.437 2.495 0 1 FEAF Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1CCS(=O)(=O)O 1857590466 RAMXVNJTUPWOMO-UHFFFAOYSA-N 367.814 2.013 0 1 FEAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NC[C@H](O)c2ccccc2)cc1 770250 OXQDEPNRRAIRMF-GHTZIAJQSA-N 367.449 2.343 0 1 FEAF Cc1cccc(S(=O)(=O)c2n[nH]c3ccc(N4CCN(C)CC4)cc23)c1 3820937 HEZHVAQOQZFYKP-UHFFFAOYSA-N 370.478 2.456 0 1 FEAF Cc1nc(N2CCN(C(=O)CCC(=O)O)CC2)c2c(C)c(C)sc2n1 4218024 XYQIQFZGXGSMHG-UHFFFAOYSA-N 362.455 2.130 0 3 FEAF CC(C)(O)C=CC=C1COC(=O)[C@@H]2[C@@H]1CC[C@@]1(C)C[C@@]2(O)CC[C@H]1O 2356393762 RYJGTWUENJOFBS-ZGMAETJZSA-N 350.455 2.105 0 1 FEAF C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 100917071 FBCMKFWBKKWECU-ZOMKSWQUSA-N 350.484 2.491 0 1 FEAF O=C(/C=C/C(=O)Oc1ccccc1C(=O)O)Oc1ccccc1C(=O)O 8830711 DMCJLRGWPYVYCQ-MDZDMXLPSA-N 356.286 2.150 0 3 FEAF in-vitro Cn1cc(-c2cnn3c(N)c(-c4ccoc4)c([C@@H]4CCCNC4)nc23)cn1 60327542 DEEUOJAGGBEVHK-GFCCVEGCSA-N 363.425 2.439 0 1 FEAF Oc1cccc(-c2cc(NC3CCC(O)CC3)nc(N3CCOCC3)n2)c1 64560238 JALSYQNUPUEGOV-UHFFFAOYSA-N 370.453 2.401 0 1 FEAF Cn1cc(CC(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)c2ccccc21 23379722 ZNPGFVYOYSPUFC-AWEZNQCLSA-N 350.422 2.210 0 1 FEAF CC(C)[C@]1(O)C=C2[C@H](O)C[C@@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@]2(O)CC1 2356564125 IKFPEPLBKUUDDK-MSPXFKQSSA-N 352.471 2.487 0 1 FEAF CCC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C=CCCCC=C[C@@H](O)C1=CC=CCC1 2356725615 RDGMNPKVEAUIJA-NXNFSMPISA-N 366.498 2.150 0 1 FEAF C[C@H]1c2cccc(C(N)=O)c2C(=O)N1c1ccc(N2CCOCC2)cc1 117385153 AKTXWCQUUJBHMH-ZDUSSCGKSA-N 351.406 2.344 0 1 FEAF Nc1ccc2c(-c3nc(N)ncc3I)c[nH]c2c1 72109679 AIBYTTZDYVGOSH-UHFFFAOYSA-N 351.151 2.394 0 1 FEAF O=C1COc2c(cc(O)cc2[C@@H](O)CNCCCc2ccc(F)cc2)N1 1911577557 VCXJSCFXRBWJQH-KRWDZBQOSA-N 360.385 2.118 0 1 FEAF Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cc2c(CO)cc(=O)n(C3CC3)c12 1911580141 KBNJVWHHWSVTMX-QWHCGFSZSA-N 359.445 2.450 0 1 FEAF Cc1ncc(COP(=O)(O)O)c(CNc2csc(C(=O)O)c2)c1O 34553600 SUKBSASAEROGCJ-UHFFFAOYSA-N 374.311 2.077 0 1 FEAF in-vitro N#Cc1cc(-c2ccnc(Nc3cn[nH]c3)n2)cnc1N1CC[C@H](F)C1 220978493 DWLBQUJIEDHAIM-ZDUSSCGKSA-N 350.361 2.425 0 1 FEAF COc1ccc(Cn2ncc3c4c(N)nc(N)nc4ccc32)cc1OC 45322685 MHHUFJORPXSANW-UHFFFAOYSA-N 350.382 2.209 0 1 FEAF C/C(=C/[S@](C)=O)n1c(C(=O)c2ccc(Br)cc2)noc1=O 40951371 BRWYUWUWRPGJSA-GIWCCYDRSA-N 371.212 2.027 0 1 FEAF COC[C@@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1 220971409 KYBAGWFVYGVKLM-CYBMUJFWSA-N 369.425 2.270 0 1 FEAF OC[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 140183082 KGOKXBZNJCYRPJ-HNNXBMFYSA-N 361.449 2.447 0 1 FEAF C[C@H]1OC=C(C(=O)O)[C@H]2C[C@H]3N(CC[C@]34Nc3ccccc3C4=O)C[C@H]21 95912471 XJBQLDFXLQMHKY-KCYCFNQMSA-N 354.406 2.131 0 1 FEAF biogenic,in-vitro C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)CC4CC4)C[C@@H]23)cc1 95797814 LXSVQDULYOZFLV-JLKGQGCPSA-N 354.450 2.017 0 1 FEAF CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@@]2(C)O[C@H]2C)OC1=O 257487361 MTYSOJAHTIASFA-YZVQFFLOSA-N 364.438 2.135 0 1 FEAF endogenous,in-man C=CS(=O)(=O)N1CC[C@H](C(=O)Nc2cc(C3CCCCC3)no2)C1 618017424 KSQGLEWSARREHM-ZDUSSCGKSA-N 353.444 2.456 0 1 FEAF O=C(NCCCc1ccccn1)c1ccc(N2CCN3CCC[C@H]3C2)nc1 299872927 JOTMBJKWUGTHTK-IBGZPJMESA-N 365.481 2.124 0 1 FEAF CCc1cc2c(O)nc(O)nc2nc1-c1cc2ccc(O)cc2oc1=O 587562815 LOONWICORBHWIC-UHFFFAOYSA-N 351.318 2.477 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C(=O)CCCC(=O)O)CC1)O2 587395192 LPVNHDJQBGIFOZ-UHFFFAOYSA-N 360.410 2.159 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN[C@H](C(=O)O)C2)N1 587793289 NHTDUTXAZVFZDL-MIUALZABSA-N 357.223 2.154 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C)c1N1CCOCC1)[C@@H](C2)C3=O 587432169 ONQCDGAIBKZUEU-IFXJQAMLSA-N 369.421 2.062 0 1 FEAF COC(=O)c1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)[nH]1 962971256 HINNYPWFKQEYAO-SMDDNHRTSA-N 370.739 2.421 0 1 FEAF C[C@@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)NCCc2ccc(O)cc21 963342641 QVVVJLRXZJEKOE-UYAOXDASSA-N 351.406 2.115 0 1 FEAF NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 13780533 QTKYWBKNNDLOSO-DOTOQJQBSA-N 371.824 2.009 0 1 FEAF CCOC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169294347 ZGZCDLPPASRPHK-IHSNIMORSA-N 368.389 2.052 0 1 FEAF O=C(NCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 201440335 MCSFFBGMCOQHQK-CYBMUJFWSA-N 366.414 2.136 0 3 FEAF O=C(c1cccnc1)N1C[C@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356320009 ZOJKICTVYLTIEO-XJKSGUPXSA-N 358.348 2.476 0 1 FEAF CC=C1CN2[C@H]3C[C@@]45c6cccc(OC)c6N[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)OC 2356463133 PODPTPDMRYBSFN-ZLGNIKCISA-N 368.433 2.254 0 1 FEAF COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N(O)[C@@]15[C@H]2C)[C@H]43 2356868455 XBTLJNCJTKVFAE-VOZFDMMCSA-N 352.434 2.346 0 1 FEAF C[C@@H](CN1CCCCC1)OC(=O)[C@@H]1CCCN1C(=O)C(=O)C(C)(C)C 25967834 ZXLCGASABXGHLF-GJZGRUSLSA-N 352.475 2.010 0 1 FEAF O=C(C[C@@H]1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccco1 35272175 IZHMORDLBSKBHC-HNNXBMFYSA-N 366.425 2.321 0 1 FEAF N[C@@H](Cc1ccc(O)cc1)C(=O)NCC12C[C@@H]3C[C@H](C1)CC(C(=O)O)(C3)C2 35996572 MUFXIMBYDBJGBL-FJBOLNLJSA-N 372.465 2.049 0 1 FEAF CS(=O)(=O)Nc1cccc(-c2nnn(Cc3cccc(Cl)c3)n2)c1 72179997 VKTSDUDKHQLROM-UHFFFAOYSA-N 363.830 2.413 0 1 FEAF O[C@@H]1CCN(Cc2ccccc2)C[C@H]1N1CCN(c2ccccc2)CC1 40565575 KOMGTYIYTCIZMV-FGZHOGPDSA-N 351.494 2.444 0 1 FEAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cn[nH]c2)n1 84672017 XUUCJKFSSKKMFG-UHFFFAOYSA-N 354.439 2.195 0 1 FEAF CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@H]1C2 299815557 IQHKHGHDPGFXAV-COPLHBTASA-N 359.455 2.323 0 1 FEAF CC(C)CCC[C@@H](O)CCCCCCC(=O)CCN(O)C(=O)[C@H](N)CO 85997214 KIWYWXQHSMRGDU-FUHWJXTLSA-N 374.522 2.011 0 1 FEAF biogenic Cc1cccc(NC(=O)C[C@]2(C)N[C@H](C(=O)O)Cc3c2nn(C)c3C)c1C 962705810 FGLGHOQLJKAHKM-JXFKEZNVSA-N 370.453 2.188 0 1 FEAF COc1ccc(CNCCc2ccco2)cc1OC[C@H](O)CN1CCCC1 12057057 KRGMRFNARJEEFP-GOSISDBHSA-N 374.481 2.456 0 1 FEAF CCCC(=O)N[C@@H](Cc1ccc(OCCCCCCN)cc1)C(=O)O 13738117 QNXKYKKLKATIHL-KRWDZBQOSA-N 350.459 2.497 0 1 FEAF COC(=O)[C@H]1[C@@H](O)CC[C@@H]2C[n+]3ccc4c([nH]c5ccccc54)c3C[C@@H]21 14722681 UWMTZXSCMQAECK-NHAHKUSKSA-O 351.426 2.341 0 1 FEAF CC(=O)[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H](O5)C1=O 169344519 OKPZZQOOGVTTIF-HJBSZYCQSA-N 367.445 2.226 0 1 FEAF COc1cc2c(cc1O)[C@H]1c3cc(OC)c(O)cc3C(=O)[C@@H](C2)[C@@H]1CO 1857755906 GREPVCBMPSCBED-PJFSTRORSA-N 356.374 2.224 0 1 FEAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@H](O)CO)cc1 776276 HTNKEBWLAJESJB-ZDUSSCGKSA-N 362.426 2.121 0 1 FEAF CN1[C@@H]2CC[C@@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C)CC2 100958244 CZCIVPXIPPLIFB-VXGBXAGGSA-N 359.401 2.049 0 1 FEAF CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCC(O)CC1 28124798 AFYWLNSUEZWUTK-UHFFFAOYSA-N 363.845 2.313 0 1 FEAF CC(=O)Nc1ccc(-c2nc3c(C(=O)NCCN(C)C)cccc3[nH]2)cc1 27901248 SSNFIDLNNWOZIY-UHFFFAOYSA-N 365.437 2.480 0 1 FEAF Cc1cc(S(=O)(=O)NC[C@H](O)CN2C[C@@H](C)C[C@H]2C)c(C)cc1Cl 28892194 ACZYRGLADZGESO-GLQYFDAESA-N 374.934 2.326 0 1 FEAF C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@H]2[C@H](O)/C=C/C(=O)O1 31494921 ZZWKZQDOSJAGGF-BHSKIMAPSA-N 365.470 2.075 0 1 FEAF O=S(=O)(Cc1nnc(S)s1)C1=NNC[C@@H]1c1ccc(Cl)cc1 40979575 WLDUOXXQVAUYEN-SECBINFHSA-N 374.900 2.096 0 1 FEAF NC(=O)c1cnc(NC2CCNCC2)c2nc(-c3ccc(Cl)cc3)cn12 96269913 UIBANLKKSQACJD-UHFFFAOYSA-N 370.844 2.313 0 1 FEAF NS(=O)(=O)c1ccc(N2C(=O)CS[C@@H]2c2cccc(F)c2)cc1 96917053 SCBYBHYGUGXUKU-OAHLLOKOSA-N 352.412 2.252 0 1 FEAF COc1c(O)c(OC)c2oc(-c3ccc4c(c3)OCO4)c(O)c(=O)c2c1O 59772538 UTYCJCKEEFUSMZ-UHFFFAOYSA-N 374.301 2.323 0 1 FEAF biogenic COc1cc2c3c(c1)O[C@@H](c1cc(S(C)(=O)=O)ccc1O)[C@@H](C2)C3=O 587450708 UEZWIBFJBWSXMC-UGSOOPFHSA-N 360.387 2.293 0 1 FEAF N[C@@H](CP(=O)(O)O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586922052 ITPVFRVPXUCHOV-YFKPBYRVSA-N 359.628 2.292 0 1 FEAF CCn1c2c(c(O)nc1=O)[C@H](c1ccc(C)cc1)C(C(=O)OC)=C(C)N2 1772613151 HUNYLEOCQMWUJR-CQSZACIVSA-N 355.394 2.282 0 1 FEAF O=C(OCCN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2 12356204 OUQDABCGMQSKTI-UHFFFAOYSA-N 370.497 2.358 0 1 FEAF COc1ccc2c(c1)C(=O)c1ccc(-c3nnc(C)o3)cc1S2(=O)=O 13755830 ICWQWAYKJOHWBL-UHFFFAOYSA-N 356.359 2.431 0 1 FEAF Cc1ccc2c(n1)CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 169711704 LCZKCVFUBQLRBY-OAHLLOKOSA-N 350.426 2.203 0 1 FEAF NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)[C@H]4CCOC4)c3)c2c1 164771456 GSUPEXAFFPLELX-ZDUSSCGKSA-N 350.378 2.304 0 1 FEAF CCCSc1nc(OC)c2[nH]c(=O)c(=O)n(Cc3ccccc3)c2n1 1857631693 CCAJDVKPIAVNNK-UHFFFAOYSA-N 358.423 2.039 0 1 FEAF COc1cc(C2=NN(C(N)=O)[C@H](c3ccccc3)C2)ccc1OCC(=O)O 28713532 OAQGMBAHCDAMLR-HNNXBMFYSA-N 369.377 2.388 0 1 FEAF NC(=O)Nc1sc(-c2ccsc2)cc1C(=O)N[C@H]1CCCNC1 40424028 PBCBIZJDVCDFNU-JTQLQIEISA-N 350.469 2.449 0 1 FEAF COc1cc2c(cc1OC)[C@@H](C1CCCCC1)N(S(N)(=O)=O)CC2 49525760 IQAZISQFVSXDOO-QGZVFWFLSA-N 354.472 2.387 0 1 FEAF O=C(O)c1cc(CN2CCN(c3ccccc3)CC2)c2ccccn2c1=O 84710088 AKBSQNJWMXFMHS-UHFFFAOYSA-N 363.417 2.320 0 1 FEAF C/C(=C/CO)CC/C=C(\CO)CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1 238759510 RXGMJLUUKIBYON-YZKJMGRNSA-N 356.503 2.474 0 1 FEAF CN1CC([N+](=O)[O-])=C2N(C[C@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)C1 299847703 NQQNKHZDFFYPMX-KGLIPLIRSA-N 363.849 2.370 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(C)c1N1CCOCC1)O2 587392592 ZTZFLPMGSAMGLJ-MRXNPFEDSA-N 356.426 2.162 0 1 FEAF c1ccc(C[C@H]2N[C@@H](c3nc4ccc(-n5cnnn5)cc4[nH]3)CS2)cc1 587042642 VAKSGWCKXNLYKW-SJORKVTESA-N 363.450 2.485 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c12 587251977 SMOGRBIVBYFMRL-UHFFFAOYSA-N 372.450 2.211 0 1 FEAF O=C(O)[C@H]1[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)[C@H]1C(=O)O 587970432 HHNZLWUIDIEHLJ-WHUPJOBBSA-N 359.563 2.478 0 1 FEAF CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)O)CC(C)C 13489857 YZDALJROFHNCEI-DYVFJYSZSA-N 373.453 2.078 0 1 FEAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(C)cccc3nc2-1 13649186 OPQYKKOVPJTGSD-NRFANRHFSA-N 362.385 2.388 0 1 FEAF CCCNC(=O)NCCc1ccc(OC[C@@H](O)CNC(C)(C)C)cc1 169335373 AABZNODCCBJWSB-INIZCTEOSA-N 351.491 2.066 0 1 FEAF O=C(O)c1cc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)ncn1 206202346 XNUYBIMWGBGSPN-UHFFFAOYSA-N 363.801 2.206 0 1 FEAF COc1ccccc1N1CCN(c2nc(O)c3c(n2)CCSC3)CC1 1857551862 PBMBCYUKPBTOQE-UHFFFAOYSA-N 358.467 2.307 0 1 FEAF CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cccc(OS(N)(=O)=O)c1 1857614183 AXPZCNBXQRVLIU-SFHVURJKSA-N 373.434 2.275 0 1 FEAF CCC(=O)[C@H](C)[C@]1(O)C(=O)c2c(O)cc(C)c3c(OC)cc(O)c(c23)C1=O 1857645862 LZWUPSJLPSHLRU-LXGOIASLSA-N 372.373 2.293 0 1 FEAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NC[C@H](O)c2ccccc2)cc1 770251 OXQDEPNRRAIRMF-RXVVDRJESA-N 367.449 2.343 0 1 FEAF COC(=O)[C@@H]1C[C@@]23CCCN4C(=O)C[C@]5(c6ccccc6N[C@]15CC2)[C@H]43 2123690 WFJBTNPOCXBGRV-GAGZULNGSA-N 352.434 2.457 0 1 FEAF CC(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 2356351455 XWBYDIRYYVNTEF-LFGUQSLTSA-N 373.472 2.429 0 1 FEAF COc1ccc(C(=O)[C@@](O)(Cn2cncn2)c2ccc(OC)cc2)cc1 26010494 NCSJOQAXEVIINI-LJQANCHMSA-N 353.378 2.066 0 1 FEAF C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102385538 VSYSIDYSTAJIJK-CFAJVAMVSA-N 368.474 2.387 0 1 FEAF CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)C[C@H]1CC(=O)O[C@@H]1O 26744026 CTJZWSVZYAAOKF-DAYGRLMNSA-N 363.410 2.168 0 1 FEAF CS[C@@]1(Cc2ccccc2O)NC(=O)C(=Cc2ccccc2)NC1=O 2356797496 NZNWTLCVZHTAQS-LJQANCHMSA-N 354.431 2.281 0 1 FEAF O=C(Nc1ccccc1)N1CCN2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 8295563 AXQCLRPRMBJDSG-MRXNPFEDSA-N 356.426 2.500 0 1 FEAF biogenic CCCCCC[C@](C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCCCC 71319191 RGTZTKKFCRKICP-PKOBYXMFSA-N 358.523 2.129 0 1 FEAF COC(=O)[C@@H](OC(C)=O)c1ccc(OC)c(I)c1 40584464 DBJDLMAROXECAL-NSHDSACASA-N 364.135 2.077 0 1 FEAF O=S1(=O)N=C(N[C@@H](CCCO)c2ccccc2)O[C@H]2CCCC[C@H]21 96273938 OQWYKSJOBBOVOQ-HRCADAONSA-N 352.456 2.117 0 1 FEAF CC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(C)=O 95895441 KYJOFADOQIGSII-HBMCJLEFSA-N 370.424 2.304 0 1 FEAF CCc1nc(C[C@H]2CN(c3ncnc4nc(C)cc(C)c34)CCO2)no1 95371855 HFNDOZCKIMWIHC-ZDUSSCGKSA-N 354.414 2.035 0 1 FEAF CN1C(=O)[C@@H]2C[C@@]3(C)c4ccccc4N[C@H]3N2C(=O)[C@@H]1Cc1ccccc1 238731554 AORAAVFCUMFJME-GPHNJDIKSA-N 361.445 2.380 0 1 FEAF CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(=O)NCCc1cccc(F)c1 299851834 KJZZRNVBRJLUBO-LJQANCHMSA-N 355.369 2.051 0 1 FEAF CCCc1cc(=Nc2nc(N3CCC(N)CC3)nc3ccsc23)[nH][nH]1 473167311 HLDNRRBRAORSQF-UHFFFAOYSA-N 357.487 2.460 0 1 FEAF O=S1(=O)c2cnccc2O[C@@H](COc2ccccc2)CN1CC1CC1 299851614 HGEINIIXUBQNND-MRXNPFEDSA-N 360.435 2.322 0 1 FEAF Nc1nc(N2CCC(N3CCCC3)CC2)c2c(n1)[nH]c1ccc(O)cc12 653666909 IXGHTJCDEWWGEJ-UHFFFAOYSA-N 352.442 2.464 0 1 FEAF O=C(O)[C@H]1C(c2nc3cc(Cl)cc(Br)c3[nH]2)[C@@H]1C(=O)O 587970433 HHNZLWUIDIEHLJ-YUMQZZPRSA-N 359.563 2.478 0 1 FEAF C[C@]1(c2cc(NC(=O)c3[nH]ncc3Cl)ccc2F)N=C(N)OC[C@@H]1F 169702964 DSOVCCKHSOQORN-XHDPSFHLSA-N 369.759 2.353 0 1 FEAF COc1ccccc1N1CCN(C2=N[C@@H]3CCCCC[C@H]3C(=O)N2)CC1 1857578805 NWRQEDZMNCLLOS-HZPDHXFCSA-N 356.470 2.252 0 1 FEAF CCOc1ccccc1NC(=O)Nc1cc(S(N)(=O)=O)ccc1O 1857764537 BBIILYRHGSEGLE-UHFFFAOYSA-N 351.384 2.082 0 1 FEAF N[C@@H](CCC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)C(=O)O 6760952 RAARUSGPXZLHBT-HNNXBMFYSA-N 353.463 2.382 0 1 FEAF in-vitro CC(=O)N[C@@H]1CC(=O)[C@]2(CC(=O)O[C@H]2C=C(C)CCC=C(C)C)C[C@H]1O 2356426743 IFURIYNUZYASFB-ZTRFORPCSA-N 363.454 2.210 0 1 FEAF O=C(NCCNC[C@H](O)COc1ccccc1Cl)Nc1ccccc1 28755083 GNAAWKIEZPQFID-HNNXBMFYSA-N 363.845 2.491 0 1 FEAF CC(=O)c1cc(C[C@@H]2CNCC[C@H]2CC(=O)NCc2ccccc2)no1 2356831465 JPHPPUIPKAARFN-DLBZAZTESA-N 355.438 2.352 0 1 FEAF COc1c(NC(C)=O)c(OCCN2CCOCC2)c(OC)c2occc12 29401938 PQCPWZAMVZRJSH-UHFFFAOYSA-N 364.398 2.119 0 1 FEAF O=C(OB(c1ccc(Cl)cc1)c1ccc(Cl)nc1)c1ncccc1O 195137491 VQPHOIULOGXSOM-UHFFFAOYSA-N 373.004 2.452 0 1 FEAF C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2ncc(C3=CCCC3)cc2C1=O 95711576 VZKDZVNXGYLRRI-ZRGWGRIASA-N 373.497 2.431 0 1 FEAF COc1ccc(N2C(=O)[C@@H]3NCC[C@H]3N(Cc3ccccc3)C2=O)cc1 25229542 GUXCBCGANTVRFP-QZTJIDSGSA-N 351.406 2.395 0 1 FEAF biogenic O[C@H]1CC(CNCc2cccc(Cl)c2)(COc2cccnc2)C[C@@H]1O 299843314 QMFHRRPHNIWWGO-ROUUACIJSA-N 362.857 2.406 0 1 FEAF CC(C)c1nc(C(=O)NC2CCN(CC(C)(C)O)CC2)c2ccccn12 653785982 GESRNVRYBAKLFW-UHFFFAOYSA-N 358.486 2.423 0 1 FEAF N=c1[nH]cc2nc(/C=C\c3cccc(I)c3)nc-2[nH]1 587183474 CVZVVJSSCSUPEP-PLNGDYQASA-N 363.162 2.492 0 1 FEAF Nc1ccnc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc12 586952528 FLLUWLAYYPJMLS-UHFFFAOYSA-N 372.435 2.464 0 1 FEAF COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CN)Cc1ccccc1 1772629475 SBMIMRGGSPVOAG-KRWDZBQOSA-N 350.422 2.385 0 1 FEAF COc1ccccc1CCc1nnc(CCC(=O)NC[C@H]2CCCO2)o1 12023388 RTGQTRFQKJBHDS-OAHLLOKOSA-N 359.426 2.091 0 3 FEAF OC[C@@H](O)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 169343329 VVILQRRLFOWWBX-OAHLLOKOSA-N 354.797 2.297 0 1 FEAF O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@@H]21)Nc1cnc2ccccc2c1 169689783 ZJEUUDOBFLQKBE-WYDAQNGTSA-N 373.412 2.226 0 1 FEAF CC[C@H]1[C@@H](COc2cccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F 1857580690 HVYXXOWVKHZMEJ-KHIZAZIESA-N 360.385 2.189 0 1 FEAF NC(=O)c1cc(-c2ccnc(NC3CCCC3)c2)nc(N2CCNCC2)c1 58590965 LRYNHRWGDADZKP-UHFFFAOYSA-N 366.469 2.007 0 1 FEAF CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)[C@H]4C[C@@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C 100781986 WKNPIBKVHHVICI-VMSWVRNJSA-N 360.406 2.029 0 1 FEAF endogenous,in-man O=C(O)Cc1ccc2c(c1)C[C@@H](CNS(=O)(=O)C1CCCCC1)C2 27329346 RQIRBWPBMFOGNR-AWEZNQCLSA-N 351.468 2.281 0 1 FEAF CO[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@@]23O[C@H](O)[C@H]([C@@H]2CC3(C)C)[C@H]1OC 2356585011 AAWDEFFPMVTDSD-RZDRJOIRSA-N 354.443 2.048 0 1 FEAF COc1ccc(CNc2nc(NCCCO)nc3c2NCN3C(C)C)cc1 70719171 CSPKSCXWMVUFRR-UHFFFAOYSA-N 372.473 2.489 0 1 FEAF CN1CCc2cc3c(cc2[C@]12Cc1ccc4c(c1C(=O)O2)OCO4)OCO3 14513948 FMSAUXVLMOWFGE-HXUWFJFHSA-N 367.357 2.198 0 1 FEAF biogenic COC(=O)C1=C(OC)C(=O)O[C@@H]1c1c(Cl)c2cc(C)ccc2oc1=O 1911571022 FWGHJSUXRBJLGR-CYBMUJFWSA-N 364.737 2.426 0 1 FEAF CN1CCN(c2cc(NCc3ccc(C(F)(F)F)cc3)nc(N)n2)CC1 45392911 NVAYBWFJYZUMHO-UHFFFAOYSA-N 366.391 2.442 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@]23C 95909475 OWACIDNMPZLRTG-BSBRVXCNSA-N 360.406 2.468 0 1 FEAF biogenic,in-vitro CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)Nc3cccnc3)ccc21 621430782 CCPXSIOUSDKZMC-UHFFFAOYSA-N 372.233 2.489 0 1 FEAF COc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)n1 587742522 AJECNKOJFPMQGK-WPPNPWJKSA-N 367.222 2.593 0 1 FEAF O=C(N[C@@H](Cc1nc2cc(F)cnc2[nH]1)C(=O)O)OCc1ccccc1 587203419 PJSKJIQIRGUJSB-ZDUSSCGKSA-N 358.329 2.019 0 1 FEAF Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)nc(Cl)c2[nH]1 586921192 FSJNIWUYXHVBGA-UHFFFAOYSA-N 360.226 2.113 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(CS(=O)(=O)Oc4ccccc41)[C@@H](C2)C3=O 587449047 AHBRBJYLGNALCW-SCLBCKFNSA-N 358.371 2.060 0 1 FEAF O=C(O)Cn1nc(-c2ccccc2)cc(NCCc2ccccn2)c1=O 12343980 RNMNLZGPOFJNLA-UHFFFAOYSA-N 350.378 2.045 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2c(C)c(F)c(N3C[C@H](C)N[C@H](C)C3)cc21 13649735 PJEHPXCSJZYBDN-PHIMTYICSA-N 361.417 2.354 0 1 FEAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc(C(=O)O)cc2)C(=O)O1 169345965 WKFXHRHRVROGQN-MOXPCZPISA-N 362.378 2.036 0 1 FEAF COc1cc(C)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 206016408 IQKHAZFXLDBGDT-NVXWUHKLSA-N 372.446 2.427 0 3 FEAF O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 4053680 GUTAYNSVZHYNJE-JFIYKMOQSA-N 367.405 2.156 0 1 FEAF O=C1C=CC[C@H](C=CC[C@H](O)C[C@H](O)C[C@H](O)CCc2ccccc2)O1 2356518705 YZNUQTVBWSAEBN-YRPNKDGESA-N 360.450 2.300 0 1 FEAF COc1ccc2nc(C)cc(-n3cc(CN(C)CCN(C)C)nn3)c2c1 64516488 VNLUIJZCMQGBRU-UHFFFAOYSA-N 354.458 2.126 0 1 FEAF CC(C)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 82196191 BWVOFRMDLRMSAI-UHFFFAOYSA-N 354.410 2.452 0 1 FEAF COc1cc(-c2cn([C@@H]3CCCCNC3=O)nn2)ccc1-n1cnc(C)c1 84617749 DZHNUHFOOBQJNH-QGZVFWFLSA-N 366.425 2.289 0 1 FEAF NS(=O)(=O)c1ccc(N/C=C2/C(=O)Nc3ccc4ncsc4c32)cc1 84466241 LTYGAJVXAFJKSY-YRNVUSSQSA-N 372.431 2.349 0 1 FEAF Cc1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2n1 586947113 SQIQHOMRDALGQO-AWEZNQCLSA-N 372.450 2.391 0 1 FEAF CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cc3ncccn3n2)C1 12434483 MPDZCQHMIVYIIN-QGZVFWFLSA-N 364.453 2.251 0 1 FEAF NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 13672443 RVMIIIKPFMQIGZ-UHFFFAOYSA-N 356.773 2.478 0 1 FEAF CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1C(N)=O 1857565260 LZPPPUZDDVMJIW-UHFFFAOYSA-N 362.393 2.422 0 1 FEAF CS(=O)(=O)c1n[nH]c(-c2ccc3nc(COc4ccccc4)[nH]c3c2)n1 1857751801 JPMPCLRYTRRVGY-UHFFFAOYSA-N 369.406 2.331 0 1 FEAF CNC(=O)OCc1nc(SC)n(-c2ccccc2)c1COC(=O)NC 1580123 SELPTWOWMVWBDF-UHFFFAOYSA-N 364.427 2.306 0 1 FEAF C[C@H](Oc1ccc([S@@](C)=O)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100798081 OEZIOTVGUGZTPR-MRBACNCNSA-N 351.468 2.360 0 1 FEAF C[C@@]1(C(=O)O)[C@H]2CCC3=C[C@H]4C[C@]3(CC[C@@]4(O)CO)[C@]2(C)CC[C@H]1O 2356492742 BUHBLMJCWYBYOC-QXFKZLCPSA-N 350.455 2.098 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(O)C[C@@]12O 2356645647 YJYOZSCSGANKMP-NCOXGUPBSA-N 364.438 2.387 0 1 FEAF CCOC(=O)CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 40846743 KZOYWPDAGQIBCG-UHFFFAOYSA-N 363.849 2.010 0 1 FEAF Cc1ccncc1-n1ncc2c(=O)[nH]c([C@H]3CC[C@@H]3c3ncccn3)nc21 145066290 QKQITTYGLPXNKK-STQMWFEESA-N 359.393 2.263 0 1 FEAF C[C@@]1(c2cccc(NC(=O)c3ccc(C(N)=O)cn3)c2)CCSC(N)=N1 143630709 DIQKWLYXJBCWSP-SFHVURJKSA-N 369.450 2.100 0 1 FEAF CC[C@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2 149292102 UVKPJIHODHUWCZ-DOMZBBRYSA-N 353.216 2.177 0 1 FEAF CC1(C)C[C@@H](O)C[C@]1(C)c1ccc(C(=O)OC[C@](C)(O)C(=O)O)cc1 473135338 OEMQRFWSQMZDOR-ZMYBRWDISA-N 350.411 2.118 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1[C@@H](C(=O)O)NC[C@H]31 586990104 VFQDKNNTFJXQBK-KRNUTZAJSA-N 358.353 2.389 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CN2CCN(C)CC2)N1 587767514 REKCBPGNDFJHRP-SMDDNHRTSA-N 356.283 2.411 0 1 FEAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(N)=O 587391398 SXIACEOPSQOBKK-MRXNPFEDSA-N 356.378 2.156 0 1 FEAF CCCC1(CCC)C(=O)OC[C@H]1NS(=O)(=O)c1ccc(OC)cc1 13558770 IYBBFHQDEPGPDH-OAHLLOKOSA-N 355.456 2.486 0 1 FEAF N=c1nc(-c2ccccc2CO)[nH]c(=NCc2ccc(OC3CC3)cc2)[nH]1 1857547641 XNOMRTSAMXNMQF-UHFFFAOYSA-N 363.421 2.019 0 1 FEAF CO[C@@H]1CCN(C(=O)C2CCN(c3cnccc3-n3cc(C)cn3)CC2)C1 1857598876 AUAPUVFRLZVNNC-QGZVFWFLSA-N 369.469 2.039 0 1 FEAF CC[C@H]1Cc2cc(OCCCO)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857767229 CJVLTJVJZNTNAV-ZDUSSCGKSA-N 373.405 2.491 0 1 FEAF O=C(NC[C@@H]1OC[C@@H](N(CC2CC2)CC2CC2)[C@H]1O)Nc1ccccc1 2356421069 YHPJWUVQIVSXEO-CEXWTWQISA-N 359.470 2.058 0 1 FEAF O=C1c2cc3ccoc3cc2O[C@H]2COc3cc4c(cc3[C@@]12O)OCO4 3596885 HLEAVDSSZUIWQI-HKUYNNGSSA-N 352.298 2.385 0 1 FEAF endogenous,in-man CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 4061442 UXKRUROBMXYZSY-UHFFFAOYSA-N 363.830 2.000 0 3 FEAF CC(C)CC(=O)C(=O)N1CCCC[C@@H]1C(=O)O[C@@H](C)CN1CCCCC1 25969731 PWJBLHDWOGSHTN-DLBZAZTESA-N 366.502 2.400 0 1 FEAF NCCc1c([C@H](c2c[nH]c3ccccc23)[C@@H](O)CO)[nH]c2ccc(O)cc12 103241733 ZTYZUZUNCFQNPS-VQTJNVASSA-N 365.433 2.341 0 1 FEAF Cc1c(CNC2CCCCC2)c(=O)[nH]c(=O)n1COCc1ccccc1 28866869 MPSJKOMKWMLWNH-UHFFFAOYSA-N 357.454 2.442 0 1 FEAF Cc1ccc(S(=O)(=O)c2n[nH]c3ccc(N4CCN(C)CC4)cc23)cc1 64454318 DAXBNFVWZYVXTC-UHFFFAOYSA-N 370.478 2.456 0 1 FEAF in-vivo Cc1noc2nc(C(=O)NCCC3=CCCCC3)nc(N3CCOCC3)c12 71928129 PMSZQYWOXZYJCB-UHFFFAOYSA-N 371.441 2.383 0 1 FEAF CC[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82208055 YKPXYGQRYDXXKI-OAHLLOKOSA-N 358.417 2.223 0 1 FEAF CC1(C)Cc2c(sc(NC(=O)C3(CO)CC3)c2C(N)=O)C(C)(C)O1 223797933 NSOMEXTZFRFPTE-UHFFFAOYSA-N 352.456 2.144 0 1 FEAF CC(=O)Nc1cccn(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1=O 43024510 JSWISXDJYLTEFX-UHFFFAOYSA-N 368.220 2.430 0 1 FEAF CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)CCN2 82204746 YBWCAZNFMKGZFK-UHFFFAOYSA-N 360.433 2.471 0 1 FEAF Cc1cc(N)nc(C[C@@H]2CNC[C@H]2NCCOCCc2cccc(F)c2)c1 40939990 AQFHFNHZQKRGMW-YLJYHZDGSA-N 372.488 2.091 0 1 FEAF NCCOC(=O)[C@H]1CCCN(C(=O)c2csc(Nc3ccccc3)n2)C1 82081466 NDUUHHOXIMHCJY-ZDUSSCGKSA-N 374.466 2.241 0 1 FEAF CC[C@]12C=CCN3CC[C@]4(c5ccccc5N(C)[C@@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 238745523 VCANAWRETHJMLW-OOOLTRJPSA-N 368.477 2.091 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C[C@H](C)[C@@H](C(=O)O)[C@H](C(=O)O)C1)[C@@H](C2)C3=O 587450628 NSFFQQNAJWNMMU-MAQGQPKRSA-N 360.362 2.013 0 1 FEAF COc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 13559704 LHWWGOZQUDVOEX-PSOYPTMXSA-N 350.418 2.009 0 1 FEAF COCCN1CCC(Nc2nccc(-c3cnn4c3CCCC4)n2)CC1 1857564599 AKRNKIGWLAVTLG-UHFFFAOYSA-N 356.474 2.199 0 1 FEAF CCOC(=O)Cc1nc2nc(N3C[C@H](CC)CC[C@@H]3C)ccc2[nH]c1=O 3955095 RIQJFFQIEJMHJK-QWHCGFSZSA-N 358.442 2.439 0 1 FEAF C[C@H]1CN(C(=O)[C@H](C)N2CCN(c3ccccc3Cl)CC2)C[C@H](C)O1 102326610 QZSPCUHRAOVRIO-JYJNAYRXSA-N 365.905 2.486 0 1 FEAF Cc1noc(C)c1Cn1cc(N2C(=O)N[C@@H](Cc3ccccc3)C2=O)cn1 115731700 OLQBCPWGFOFXPA-KRWDZBQOSA-N 365.393 2.204 0 1 FEAF CN(C(=O)[C@@H]1Cc2ccccc2O1)[C@H](CN1CC[C@H](O)C1)c1ccccc1 28530456 PWERZIHXAWNERU-ZVDOUQERSA-N 366.461 2.256 0 1 FEAF CN(C)C(=O)n1nnc(CNC(=O)CCCCCCCc2ccccc2)n1 45495117 PPVBNTONKNSVRN-UHFFFAOYSA-N 372.473 2.402 0 1 FEAF CCc1nc(C(=O)NCc2ccc(C(=O)N3CCCNCC3)cc2)cs1 82069826 CTBICJAWMWSDQX-UHFFFAOYSA-N 372.494 2.071 0 1 FEAF O=S(=O)(c1ccccc1)n1ccc2cc(CN3CCNCC3)ccc21 43196747 XZIRCFVAGCAFDA-UHFFFAOYSA-N 355.463 2.284 0 1 FEAF COc1ccc(CN2CN3CCc4ccccc4[C@@H]3CS2(=O)=O)cc1 96019124 YUERVHHODCQZCD-IBGZPJMESA-N 358.463 2.398 0 3 FEAF CC(=O)O[C@H]1[C@H](C)[C@]2(O[C@@H](C)[C@H]1C)[C@H](C)[C@@H]1OC(=O)[C@@]2(C)C(=O)[C@H]1C 238755155 CMTSHPFXBUQFIX-KKVADQDESA-N 352.427 2.134 0 1 FEAF CO[C@@H]1CC[C@H](c2ccc([C@H]3C[C@H](CNC(C)=O)OC3=O)cc2)CCC1=O 253930025 WCRVYIZHQXJKDN-DLVXIWMQSA-N 373.449 2.464 0 1 FEAF CCOC(=O)C(=O)C[C@@]1(c2ccco2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451928 CBWHEVKVXAKGME-ZUOKHONESA-N 370.357 2.453 0 1 FEAF NC(=O)c1cccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149665 PEHRNJAUOKOEAC-LLVKDONJSA-N 370.359 2.456 0 1 FEAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCC(N)=O 587858956 DVKFCYCVRKCBOE-UHFFFAOYSA-N 373.265 2.464 0 1 FEAF CCCCCOc1cc2nc([C@H](O)[C@H](O)CO)[nH]c2cc1Br 586894241 YYUCWCIBFPORGN-TZMCWYRMSA-N 373.247 2.281 0 1 FEAF C[C@@H]1CN(C2CC2)C[C@@]12N[C@@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12 962628735 HMHJCJGULPFZBX-OMXAPOSASA-N 370.371 2.494 0 1 FEAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)[C@H](C)O)ncc12 1772597881 FBFVSUQHZVJYJN-BJOHPYRUSA-N 359.361 2.349 0 1 FEAF COc1ccccc1N1CCN(CCCN2C[C@H]3CCCCN3C2)CC1 19332286 BSELYTAEVFSVSK-LJQANCHMSA-N 358.530 2.335 0 1 FEAF C[C@]1(c2ccc(N)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O 1857547826 PPYFZZVTUCRSEH-GOSISDBHSA-N 359.332 2.197 0 1 FEAF O=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccccn2)CC1 1857582535 MOUIWMOQLHUNKH-UHFFFAOYSA-N 350.422 2.400 0 1 FEAF CN(C)CCNC(=O)c1cccc(-c2cnc3ccc(-n4cccc4)nn23)c1 1857761592 YALWALKSWNGPBH-UHFFFAOYSA-N 374.448 2.478 0 1 FEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CCOC[C@@H]1Cc1ccccc1 679197798 UBVOPAHOLLHSFH-HNNXBMFYSA-N 361.419 2.048 0 1 FEAF O=C([C@H](Cc1ccccc1)NC(=O)n1nnc2ccccc21)N1CCCC1 28111425 KASKVYODSVQKND-KRWDZBQOSA-N 363.421 2.223 0 1 FEAF C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@]12C[C@@]1(COC(=O)C1)CO2 2356317421 QHYFPLAXWXWDJP-PYMHPSGOSA-N 352.471 2.285 0 1 FEAF O=C(CCCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)cc1 28875241 QCMPMRYYEJZJLW-UHFFFAOYSA-N 374.418 2.346 0 1 FEAF O=C(N[C@H]1CN(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(O)cc1 2356868080 WXZXQQWKJQLAGQ-RBUKOAKNSA-N 358.413 2.287 0 1 FEAF O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccccn3)n2)c1 15674855 DGALWRPPMHNKTE-CVEARBPZSA-N 367.365 2.348 0 1 FEAF biogenic O=C1c2c(c3n(c(=O)c2O)CCCCC3)C(=O)N1Cc1ccc(F)cc1 71317978 VTSFKLSEORKIRF-UHFFFAOYSA-N 356.353 2.216 0 1 FEAF O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(F)cc2F)cc1 72111049 VUYXOICKLGGBLQ-UHFFFAOYSA-N 354.334 2.262 0 1 FEAF NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2CCCO 49021501 USOJEDKSRVNJDE-UHFFFAOYSA-N 359.817 2.178 0 1 FEAF CC(=O)[C@H]1C[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H](O5)C1=O 195069649 OKPZZQOOGVTTIF-DHEQVOMMSA-N 367.445 2.226 0 1 FEAF COc1ccc(C[C@H]2CCc3cnnn3COC[C@@H](C(C)C)NC2=O)cc1 95898356 GXBDVNURWIBSDR-APWZRJJASA-N 372.469 2.207 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2ccc(Br)cc2)C[C@H]1C 618017780 PIYJHBFGPOUSCQ-GFCCVEGCSA-N 359.289 2.429 0 1 FEAF CCNC(=O)N[C@H]1CC[C@H](Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1 473123330 VGQNDBIBHCCFKP-SHTZXODSSA-N 372.473 2.415 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC 299883406 RHXDAXASSALVLF-TXKBRIQPSA-N 368.518 2.262 0 1 FEAF Oc1ncnc2[nH]c(-c3cc(I)ccc3F)nc12 587182066 DEJUPORKLQFUKS-UHFFFAOYSA-N 356.098 2.469 0 1 FEAF CC(C)(C)OC(=O)N1CC[C@]2(Cc3cc4c(O)nc(O)nc4nc3C2)C1 587558848 USJRNFWNUDCMAH-GOSISDBHSA-N 358.398 2.162 0 1 FEAF Cc1ccc(C[C@H](C(=O)O)N2C(=O)c3ccc(C(=O)O)cc3C2=O)c(C)c1 13815991 AQUWSKNDVGLFFL-MRXNPFEDSA-N 367.357 2.294 0 1 FEAF Cc1nc([C@H]2CCOC2)c2c(N3CCc4nn(C(C)C)cc4C3)ncnn12 169711731 DSBGOHSJTJJOHG-AWEZNQCLSA-N 367.457 2.277 0 1 FEAF C[C@@H]1Cc2ccccc2N1C(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 6576681 FCWGUNZWNNQXGH-DBTPAQMRSA-N 350.418 2.161 0 1 FEAF COC(=O)[C@]1(c2ccc(C)cc2)C[C@@H]1CN1CCN(c2ncccn2)CC1 28636749 YDIFERBWWDDTIR-NQIIRXRSSA-N 366.465 2.038 0 1 FEAF Cc1ccc(-n2nc3c4cc(CCC(=O)O)ccc4nc(O)n3c2=O)cc1 66251817 NZOLQJQIVMGMHN-UHFFFAOYSA-N 364.361 2.065 0 1 FEAF CC(C)=CC(=O)O[C@@H]1CC=C2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@@H]1C 2356744700 AYZOKQQDGDMCDQ-WNNCYYPJSA-N 362.422 2.163 0 1 FEAF COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1OC 73199403 FHIARIXTLWXFGT-UHFFFAOYSA-N 372.381 2.372 0 1 FEAF COc1ccc(S(=O)(=O)n2c(C)c(CC(=O)O)c3cccnc32)cc1 35846479 YFIWMHHIGSFDCG-UHFFFAOYSA-N 360.391 2.217 0 1 FEAF COc1cc(C[C@H]2C(=O)OC[C@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O 71404431 UKHWOLNMBQSCLJ-PJIJBLCYSA-N 374.389 2.180 0 1 FEAF biogenic,in-vitro CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(C(=O)O)cc3[nH]2)cc1 586925553 GWOXWXISSPVSKY-UHFFFAOYSA-N 372.402 2.480 0 1 FEAF Cc1nn(C)cc1[C@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cccc(F)c21 962897460 CVSLKTTZQXSFLK-WFASDCNBSA-N 357.307 2.272 0 1 FEAF Cn1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cn1 12701977 KUMMUKYYONHHGR-HNNXBMFYSA-N 360.845 2.129 0 3 FEAF NS(=O)(=O)c1ccc(O[P@](=O)(c2ccccc2)N2CCCC2)cc1 1857565244 HQPKNVJWNKZNBY-HSZRJFAPSA-N 366.379 2.327 0 1 FEAF COc1ccc(O[C@H]2CCN(c3nc4c(cc3C)C(=O)NC4)C[C@H]2C)cn1 1857754889 TXHJDMKUICTKRY-DYVFJYSZSA-N 368.437 2.331 0 1 FEAF O=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1 4569631 NRFCWJMWYNVFJT-AWEZNQCLSA-N 350.465 2.331 0 3 FEAF COc1ccccc1Cc1nnc(C(=O)NCc2ccc3c(c2)OCO3)o1 6821087 IYZDCSRTSHUFLJ-UHFFFAOYSA-N 367.361 2.328 0 1 FEAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3ccc4ccccc4n3)[C@H](C)[C@H]12 29219840 BPAFSTWXUSOVDL-XEQNPHJVSA-N 370.430 2.481 0 1 FEAF COc1ccc(CN(C)C[C@H](O)COc2ccc3[nH]c(=O)ccc3c2)cc1 27189885 WTLDHJFCQXSKMS-KRWDZBQOSA-N 368.433 2.408 0 1 FEAF COc1cc(/C=C/[C@H]2O[C@H](OC)[C@@H]3OC(C)(C)O[C@H]23)cc2c1OCO2 29124865 CKUAYJBDPWHSOJ-FDDHMOBVSA-N 350.367 2.329 0 1 FEAF COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCOCC3)c2=O)cn1 117698047 KXSMKVQEHUCHOE-UHFFFAOYSA-N 367.409 2.104 0 1 FEAF CC[C@@H](C)[C@H](CO)NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 2356761673 UQCZEHKQCMVYET-YPMHNXCESA-N 365.426 2.038 0 1 FEAF Cc1cc(N)nc(C[C@@H]2CNC[C@H]2OCCNCCc2cccc(F)c2)c1 40977391 NESZTSPBRDBHCW-YLJYHZDGSA-N 372.488 2.091 0 1 FEAF in-vitro CN1CCN(CCCNC(=O)c2csc(Nc3ccccc3)n2)CC1 82086364 UKWGXKKUENVTDB-UHFFFAOYSA-N 359.499 2.254 0 1 FEAF CC(=O)O[C@@H](C)CCC[C@H]1OC(=O)[C@H](C)[C@H](OC(C)=O)/C=C/CC[C@@H]1O 199307514 ZIOYEJIHNQOIKS-LYKZPQITSA-N 370.442 2.299 0 1 FEAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CO)[C@H](CC[C@@H]21)C3 238782963 FQXFNQBHZJYODR-ILQFCZJNSA-N 352.471 2.034 0 1 FEAF N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 253636478 QUASBPFEEGUFFV-BZSNNMDCSA-N 359.470 2.421 0 1 FEAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(O)ncnc2[nH]1 587114165 WZUPPMIKAOCNNQ-HNNXBMFYSA-N 365.315 2.477 0 1 FEAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(Br)nc2[nH]1 587256759 RCBJLMCVOTXGBZ-MRVPVSSYSA-N 355.236 2.322 0 1 FEAF O=[S@@](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)CC1CC1 586959378 NPZWYNPVHOMRRD-RUZDIDTESA-N 357.439 2.281 0 1 FEAF CC1(C)Cc2c(sc(NC(=O)C(C)(C)CO)c2C(N)=O)C(C)(C)O1 1772607944 UAJSPQFCEQJROF-UHFFFAOYSA-N 354.472 2.390 0 1 FEAF CCN(C[C@@H]1CCc2nc(N)nc(N)c2C1)c1cc(OC)ccc1OC 5840913 VAGYLFHVULQBKC-GFCCVEGCSA-N 357.458 2.290 0 1 FEAF Cc1nc(C(C)(C)NC(=O)c2cnc(C3CC3)c(OCC3CC3)n2)no1 207371657 ZFDBVMXVHYPTPZ-UHFFFAOYSA-N 357.414 2.499 0 1 FEAF N=c1nc(-c2c(F)cccc2CO)[nH]c(=NCCCc2ccccc2)[nH]1 1857569835 ARFXYZWQPPKUFT-UHFFFAOYSA-N 353.401 2.049 0 1 FEAF Cc1noc(C)c1-c1ccc2nc(C(=O)N[C@@H]3CCN(C#N)C3)c(F)n2c1 1857591652 OWJRHEASECNJSY-CYBMUJFWSA-N 368.372 2.030 0 1 FEAF N#CN1CCC[C@](F)(C(=O)Nc2cnc(-c3cccc4[nH]ncc34)cn2)C1 1857599446 DFXFOEDBVKMGNN-GOSISDBHSA-N 365.372 2.244 0 1 FEAF COc1cccc(OC)c1NC(=O)Cn1nc(C)c2ccccc2c1=O 1365255 MSVYCDAHNLQAAI-UHFFFAOYSA-N 353.378 2.361 0 3 FEAF C[C@@]1(CO)[C@H]2CCC3=C[C@H]4C[C@]3(CC[C@@]4(O)C(=O)O)[C@]2(C)CC[C@H]1O 2356323648 CRKXFQVLMHNMQV-XGRAKDAMSA-N 350.455 2.098 0 1 FEAF O=P(O)(O)C(Cc1ccccc1)(Oc1ccc(O)cc1)P(=O)(O)O 3777534 LJMVXUCJLQRJDF-UHFFFAOYSA-N 374.222 2.023 0 1 FEAF CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)C1 4051810 MQADOESZRUHDOX-SCTDSRPQSA-N 367.405 2.108 0 1 FEAF N[C@@H]1CCN2c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3C=CC[C@H]12 113154951 KZNQXATUOHSRHR-HZPDHXFCSA-N 369.396 2.497 0 1 FEAF in-vitro CCCn1c(=O)c2nc([C@@H]3CCCC[C@H]3C(=O)O)[nH]c2n(CCC)c1=O 29548343 SNLPCMKKVDHGMR-VXGBXAGGSA-N 362.430 2.065 0 1 FEAF N[C@@H](Cc1cc(C2CCCCC2)ccc1CCP(=O)(O)O)C(=O)O 28260400 WDFWGGOVYAERLB-INIZCTEOSA-N 355.371 2.409 0 1 FEAF O[C@@H]1CC(CNCc2cccc(Cl)c2)(COc2cccnc2)C[C@H]1O 2356565151 QMFHRRPHNIWWGO-QZTJIDSGSA-N 362.857 2.406 0 1 FEAF COc1cc(CCNC(=O)C=CS(C)(=O)=O)ccc1OCC=C(C)C 2356593286 FPQKZLMPABOCHA-UHFFFAOYSA-N 367.467 2.257 0 1 FEAF COc1cc(O)c2c(c1)[C@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCC[C@@H](C)OC2=O 2356721032 QSSWIPLGEQHZBQ-YXLQCVCASA-N 366.410 2.072 0 1 FEAF CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)NCCN(C)C)cn12 61896539 BEZKHYLONOFOBL-UHFFFAOYSA-N 359.474 2.087 0 3 FEAF O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC1(COC1)C2 143802315 RTZIZMCIJALUIE-UHFFFAOYSA-N 363.421 2.412 0 1 FEAF C=CC(=O)NC[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCC[C@@H]1C(=O)O 95872229 MJIOMKSRIVWRHE-FGTMMUONSA-N 370.449 2.306 0 1 FEAF Clc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1Cl 209660823 YDJMFRCIYYGGNA-UHFFFAOYSA-N 356.257 2.377 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC 299883405 RHXDAXASSALVLF-AHKPOQAGSA-N 368.518 2.262 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@H](C(=O)O)NC[C@@H]31 586989654 NWYIBVCSGBJFEI-XXRNEEKGSA-N 372.380 2.464 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CNCn3ccc(N)c32)N1 587770865 RQMYGTLRIVCFJM-ABKXIKBNSA-N 365.250 2.310 0 1 FEAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(Cl)cnc2[nH]1 587227052 IXOKFUNCRHRJGS-UHFFFAOYSA-N 373.800 2.154 0 1 FEAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(S(=O)(=O)O)cc3[nH]1)C2 587247482 SIKHUJRHTIVPLI-SFHVURJKSA-N 373.434 2.161 0 1 FEAF CC[C@]1(C(N)=O)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963197740 UDWNZYWJDYXNJC-GWCFXTLKSA-N 350.724 2.048 0 1 FEAF C[C@@H](Oc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1)C(=O)O 962903144 SZFFESZHHRZAKG-PHEKWQANSA-N 359.353 2.366 0 1 FEAF COc1ccc2c3c1O[C@@H]1C(=O)[C@@H](C)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 169306103 PAALMPCHQXIBEW-SEGGRCKQSA-N 369.461 2.074 0 1 FEAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccnn4)c(=O)n1c23 1857554075 AOYOLBLORDNILR-SNVBAGLBSA-N 368.368 2.073 0 1 FEAF CCN(CC)c1ccc(Nc2snc3c2c(=O)n(C)c(=O)n3C)cc1 641770 DYEGVJQVOMESDE-UHFFFAOYSA-N 359.455 2.284 0 1 FEAF CCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2 2459235 PUJSZYQBBVIEMN-UHFFFAOYSA-N 361.261 2.046 0 1 FEAF O=C(NC1CCCC1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 102306663 VXVAXTVQJBEBRG-YIOZNXECSA-N 358.463 2.089 0 1 FEAF COc1cccc(OS(=O)(=O)c2ccc(N3CCCNC3=O)cc2)c1 72111037 XBFIGRQYHCBHIR-UHFFFAOYSA-N 362.407 2.383 0 1 FEAF CC[C@H]1C[C@H](/C=C/CC(C(=O)OC)C(=O)OC)O[P@@](=O)(OC)O1 198501262 HQPXMHFUGNZFHH-NKBMHASZSA-N 350.304 2.234 0 1 FEAF COc1ccc(C2(C(=O)N3CC[C@@]4(O)CCNC[C@H]4C3)CCCC2)cc1 91255881 MPWLEGZYAVLXKL-UWJYYQICSA-N 358.482 2.080 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 618020262 STEZDQSIPXPNKT-UHFFFAOYSA-N 364.389 2.219 0 1 FEAF CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1cc(=O)c(O)c[nH]1 653812763 WTJVRGYLRVXFAY-KRWDZBQOSA-N 374.393 2.075 0 1 FEAF Cn1cnc2cc([C@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)cnc21 963237198 WYEYLVMKPYAZFH-ZWKOTPCHSA-N 359.389 2.205 0 1 FEAF CC1=C2[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@]3(C)[C@@H](CC[C@H](O)[C@H]3C)C[C@H]2OC1=O 13486243 MTYSOJAHTIASFA-BMHPLBJJSA-N 364.438 2.135 0 1 FEAF in-man C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN4CCC3CC4)cc21 13650323 BSANRFVFCNMTII-UHFFFAOYSA-N 357.385 2.224 0 1 FEAF CCNC(=O)Nc1cc(-c2noc(C)n2)c(-c2cncc(C(=O)O)c2)cn1 169307008 LOVJKTBIQLNKCM-UHFFFAOYSA-N 368.353 2.342 0 1 FEAF Cc1ccccc1Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 169322251 JZTJUDXHTRMLEL-OAHLLOKOSA-N 363.373 2.140 0 1 FEAF N=c1[nH]c2ccccc2cc1CCC(=O)NC[C@@]12CCCO[C@@H]1CCOC2 1857617508 QOQRRAFGOBMJCS-WIYYLYMNSA-N 369.465 2.282 0 1 FEAF COc1cccc(CN2C[C@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)n1 2356317543 AGPPDDDNGFLSRD-ZFWWWQNUSA-N 357.389 2.101 0 1 FEAF COc1cccc2c1C[C@H](NCCN1C(=O)c3ccccc3C1=O)CC2 28763966 DSXIDARBTUCXGN-OAHLLOKOSA-N 350.418 2.438 0 1 FEAF COc1ccc2[n+](c1OCCCN(C)C)CCc1cc3c(cc1-2)OCO3 28865074 JCNZJFQNACHCFP-UHFFFAOYSA-N 357.430 2.265 0 1 FEAF C[C@@H](NC(=O)Cn1c(NCCO)nc2ccccc21)[C@@H]1C[C@@H]2CC[C@@H]1C2 100462416 IMMAGYGNFBATCG-FPCVCCKLSA-N 356.470 2.381 0 1 FEAF COCCN1C[C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN2C1=O 2356299196 BIAQKVFBWUMDIP-AWEZNQCLSA-N 373.375 2.153 0 1 FEAF COc1cc([C@H]2Oc3cc4ccc(=O)oc4cc3O[C@H]2CO)ccc1O 535384806 YMXPBFBMXWPRNM-PKOBYXMFSA-N 356.330 2.381 0 1 FEAF biogenic,in-vitro CC(C)(O)[C@@H](O)Cc1c(O)ccc(CCC(=O)c2ccc(O)cc2)c1O 13379868 GWBOCBSRSSJWFR-SFHVURJKSA-N 360.406 2.293 0 1 FEAF biogenic COc1ccc(-c2cc(=O)c3c(O)c(S(=O)(=O)O)c(O)cc3o2)cc1 14808026 VQFWNXWCQOHGRF-UHFFFAOYSA-N 364.331 2.127 0 1 FEAF biogenic Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nncc2C)n1 143108427 UMKKADOZDBPPIQ-UHFFFAOYSA-N 360.425 2.165 0 1 FEAF COc1cnc(OCc2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O 95563121 AECVPUDXLSQNOL-UHFFFAOYSA-N 368.368 2.484 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CC[C@H](O)[C@H](C)[C@]21C 238780106 YOQIGAVHLYFIAF-WNJVOODRSA-N 364.438 2.243 0 1 FEAF CN1C[C@@H](C(=O)NCc2ccc(F)c(C(F)(F)F)c2Cl)N(C)C1=O 95565574 XHCNRIFVOGAHNU-VIFPVBQESA-N 367.730 2.480 0 1 FEAF C[C@@H]1CC(=O)N[C@@H]2[C@H](C)C[C@@H](S(=O)(=O)NCc3ccccc3)C[C@H]12 618011985 LXBLREYXEKWDHS-PBZZTAOPSA-N 350.484 2.045 0 1 FEAF C[C@@]1(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)C=C(c2ccccc2F)NO1 587154399 FCHLWTCJYFRYHX-KRWDZBQOSA-N 374.397 2.141 0 1 FEAF CNC[C@]1(C)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963151809 HRYWOIFJDYKZDF-OAQYLSRUSA-N 369.465 2.419 0 1 FEAF COc1ccc(CN2CCCCO2)c(OC[C@H](O)CN2CCCC2)c1 12432274 WIPASOFTHGHMGH-QGZVFWFLSA-N 350.459 2.058 0 1 FEAF C[C@H]1OC=C2c3c(c4ccccc4n3C(=O)CO)CCN3C[C@@H]1[C@@H]2CC3=O 15269082 RBFOYRLZWHEUTR-KCXAZCMYSA-N 366.417 2.054 0 1 FEAF COc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 205283803 FKIIXDSAFIESPT-LSDHHAIUSA-N 370.457 2.318 0 1 FEAF Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(O)c1)C1=C(O)CCCC1=N2 100703218 YVPPDDDDEQROAV-CQSZACIVSA-N 353.378 2.004 0 1 FEAF CCc1ccc(NC(=O)CN2CCN(Cc3ccccc3)S2(=O)=O)cc1 8607321 PTDDMASAVXRGHS-UHFFFAOYSA-N 373.478 2.250 0 1 FEAF Nc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103247072 GJWMGZNCWDOEBH-OXJAWPMRSA-N 363.483 2.246 0 1 FEAF O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3n[nH]cc3[C@H]1C[C@@H](CO)C2 114842934 CDRQZZJANOQFIF-KNHMANMVSA-N 367.858 2.122 0 1 FEAF COCCN1CC[C@H](C)c2cc(Cc3cnc(N)nc3N)cc(OC)c21 29569384 MKFXAYNIRIKKEH-LBPRGKRZSA-N 357.458 2.200 0 1 FEAF COc1ccc(CN2CCC[C@H](O)[C@@H](NC(=O)c3ccc(O)cc3)C2)cc1 2356864247 VSVFHZOTKZOVAD-PMACEKPBSA-N 370.449 2.156 0 1 FEAF CC(C)C[C@@H](CN)CC(=O)OCCOC(=O)CC1(CN)CCCCC1 26567405 CRBOGTVVEAUZSN-MRXNPFEDSA-N 356.507 2.383 0 1 FEAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@](O)(C(=O)CO)CC[C@@]12O 16918089 NTTRGAIOMZIGLW-YGTOLPLDSA-N 364.482 2.006 0 1 FEAF biogenic CCOC(=O)C1=C(Nc2ccc(Br)cc2)N=CN2CCN=C12 45320259 KCJXXFZOLGBAQZ-UHFFFAOYSA-N 363.215 2.392 0 1 FEAF CC(C)CC(=O)N1CC[C@H]2N(C)CC[C@@]2(C(=O)Nc2cccnc2)CC1 96263614 LBGAMTSROSFKOF-YLJYHZDGSA-N 358.486 2.379 0 1 FEAF COc1ccccc1N1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 253635500 MKNWWWHCPYCIKA-OKZBNKHCSA-N 357.498 2.370 0 1 FEAF Cc1cccc(NCc2cccn3c(=O)cc(N4CCOCC4)nc23)c1 473130940 NBQRQVIRXMQIKP-UHFFFAOYSA-N 350.422 2.452 0 1 FEAF CCOC(=O)c1ccc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc2c1 586929524 DWTKMEUMLYFXHZ-UHFFFAOYSA-N 359.407 2.195 0 1 FEAF C/C(N)=C1\C(=O)OC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587744553 CHPOKIGZUVHEDT-JGXYZWJTSA-N 355.207 2.107 0 1 FEAF COC(=O)c1cc(Br)c2[nH]c(-c3nn(C)c(O)c3F)nc2c1 587154283 BQXMONXAZVMYOK-UHFFFAOYSA-N 369.150 2.357 0 1 FEAF CCOC(=O)[C@H]1CN(CC)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587435612 GXEPYTQKXMDXAW-SXGZJXTBSA-N 359.422 2.086 0 1 FEAF CN(C[C@@H](O)Cn1c2ccc(F)cc2c2ccc(F)cc21)S(C)(=O)=O 149350844 LYUDJMBZYYTGLI-CYBMUJFWSA-N 368.405 2.325 0 1 FEAF O=C(OC1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2cnccn2)c2ccccc12 1772583179 RNISLELCMCHBKK-YIONKMFJSA-N 364.405 2.097 0 1 FEAF CCOC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C(C(=O)OC)=C1C 13816450 ZNBKTOXWTOZYAV-HNNXBMFYSA-N 360.410 2.023 0 3 FEAF CCCNC(=O)c1ccc(NC(=O)N2Cc3ccc(C(N)=O)cc3C2)cc1 166781022 NDUXEKXSJYNZBL-UHFFFAOYSA-N 366.421 2.473 0 1 FEAF Nc1ncnc2c1c(-c1ccc(CO)cc1)nn2C[C@H](O)c1ccccc1 1857568549 DRXSLCPHDFDSQZ-INIZCTEOSA-N 361.405 2.301 0 1 FEAF O=C(c1cc[nH]n1)N1CCC(C(=O)N2N=CC[C@@H]2c2ccccc2)CC1 1857616035 GAEYWYAKLLSDJH-QGZVFWFLSA-N 351.410 2.221 0 1 FEAF CS(=O)(=O)c1cccc(-c2ccc3nccc(N4CCNCC4)c3n2)c1 1857637211 STUVOBCHUJLFKE-UHFFFAOYSA-N 368.462 2.110 0 1 FEAF CC[C@H](C(=O)N1CCOCC1)n1nc(C)n2c(cc3cc(C)ccc32)c1=O 6803365 MSQYHPBKUXFWDS-MRXNPFEDSA-N 368.437 2.076 0 3 FEAF CCCCCOC(=O)OC[C@@H]1CC[C@H](n2cnc3c(=O)nc[nH]c32)O1 103297378 VHOXBXUSTPRGNX-NWDGAFQWSA-N 350.375 2.141 0 1 FEAF CC=C1CN2[C@H]3C[C@]45c6cccc(OC)c6N[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)OC 2356463130 PODPTPDMRYBSFN-JLIYNDBLSA-N 368.433 2.254 0 1 FEAF COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cnc(SC)n1Nc1ccccc1 103170728 BKUDINKFJVQLIK-CQSZACIVSA-N 373.438 2.281 0 1 FEAF CC(C)(C(=O)O)[C@@H]1CC[C@@]23OC(=O)[C@@](C)(CC[C@@H]2[C@]1(C)CC(=O)O)[C@@H]3O 2356467938 KTIYLKYZGCWKLT-ZZHIJVPOSA-N 368.426 2.061 0 1 FEAF CC(=O)OCC1=CC[C@H](OC(C)=O)[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@H]12 2356627041 UKBRLNIJFHFROM-MXCNCLOBSA-N 350.411 2.405 0 1 FEAF CCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3cncnc3)cc2n1 45291073 XPIBGMJVUKLMNV-UHFFFAOYSA-N 360.381 2.390 0 1 FEAF COc1cc(O)c2c(c1)[C@@H]([C@H]1CC[C@H](O)[C@@]3(CCC[C@H](C)O3)O1)OC2=O 139818283 OJAFRAAQCYCPAI-KALNQIPCSA-N 364.394 2.438 0 1 FEAF NC1=N[C@@]2(CO1)c1cc(Br)ccc1OC1(CCC1)C21COC1 149228882 RUGHZTZOMNIPQG-INIZCTEOSA-N 365.227 2.321 0 1 FEAF CCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O 95895348 CXRQKXDLSRZGRM-IRFCIJBXSA-N 356.466 2.455 0 1 FEAF COc1ccc(C[C@@H]2CCn3cc(nn3)COC[C@H](C(C)C)NC2=O)cc1 95898401 BUJNRAADAGIHRJ-QFBILLFUSA-N 372.469 2.207 0 1 FEAF C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)ccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC 140363936 IRMHHGGGRPOHRY-WAOXUHNCSA-N 368.433 2.254 0 1 FEAF CC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(C)=O 95895444 KYJOFADOQIGSII-ACRUOGEOSA-N 370.424 2.304 0 1 FEAF COc1ccccc1-c1csc(NC(=O)C[C@H]2SC(=O)NC2=O)n1 96916372 LJUNXWUKOZVSOQ-LLVKDONJSA-N 363.420 2.499 0 1 FEAF CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587389940 MWSJTQSQUCNQNG-WOJBJXKFSA-N 374.437 2.280 0 1 FEAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(N)=O)cc2[nH]1)C(C)C 586933939 ZSFPKPFUNGORPM-CQSZACIVSA-N 352.460 2.078 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(OC)cc(OC)c41)[C@@H](C2)C3=O 587438170 CTNIARODHGXNQX-YUNKPMOVSA-N 367.357 2.307 0 1 FEAF OC[C@H]1CCCN1C[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772605209 JABYDOWYKXSOPZ-RBSFLKMASA-N 354.458 2.336 0 1 FEAF CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@@H]4[C@@H](CC2=O)[C@@H](CO[C@@H]4C)[C@@H]13 5574736 FMZMLKGLGADCPQ-QLYBYCFQSA-N 368.477 2.235 0 1 FEAF CC(=O)c1cccc(OCc2cc(C(=O)N3CCc4[nH]ncc4C3)n[nH]2)c1 12317143 UMKRYJKDLJYWJK-UHFFFAOYSA-N 365.393 2.113 0 1 FEAF Cc1noc2ncnc(N3CCC[C@H](C(=O)NCCCOC(C)C)C3)c12 7004558 CTDKRUDHWPVRCB-AWEZNQCLSA-N 361.446 2.074 0 1 FEAF COc1ccc(CCNC[C@@H](O)COC(=O)c2ccccc2)cc1OC 25973629 JYWMIIDZRHBROA-QGZVFWFLSA-N 359.422 2.054 0 1 FEAF COC(=O)c1ccc2c(c1)nc1n2[C@H](CNCc2ncccc2C)COC1 2356616806 GXCSIHQWXOZVPB-OAHLLOKOSA-N 366.421 2.387 0 1 FEAF C[C@]12C[C@H](c3ccoc3)O[C@H](O)[C@@H]1CC[C@]13COC(=O)[C@@H]1C=CC[C@@]23O 2356691882 ZZEYREBRTKBREJ-KNGWYSDQSA-N 360.406 2.326 0 1 FEAF C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@H](C(=O)O)C[C@@]54[C@@]2(O)[C@H]1CC[C@@]34CO 2356733214 FHEIQKLULLQNBD-TVVKXCNASA-N 373.493 2.237 0 1 FEAF COc1cc(C)c2nc3[nH]nc(C)c3c(NC[C@H]3CN(C)CCO3)c2c1 73167792 WRGKRLZCNHYJOI-AWEZNQCLSA-N 355.442 2.479 0 1 FEAF NC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 40425110 VUBYGTAKNPOPTK-UHFFFAOYSA-N 362.389 2.328 0 1 FEAF Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1NCCc1ccc(F)cc1 82203790 ZUWSHWDSORTEND-HNNXBMFYSA-N 357.433 2.280 0 1 FEAF O=C(O)CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccccc2)ccc1=O 25225197 CNXYLWFNTJMXEO-ZBFHGGJFSA-N 366.417 2.326 0 1 FEAF biogenic CCC1=C(O)CC(O)=C([C@@H]2NN[C@H](C)[C@@H]2[C@@H]2N[C@H]3CCCC[C@@H]3N2C)C1 254046638 HUFRUXGBKDWBPS-GHOSKEOQSA-N 362.518 2.468 0 1 FEAF O=C(O)[C@@H]1C[C@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587345722 GJDMOFALDDORLW-VPWXQRGCSA-N 371.364 2.466 0 1 FEAF COC(=O)C[C@]1(c2c(C)nn(C)c2C)CC(=O)c2cc(C)cc(N)c2O1 587391539 RZWHGOPKYCLYBV-IBGZPJMESA-N 357.410 2.351 0 1 FEAF N=C(N)c1cc2[nH]c(-c3cccc(O[C@H]4CCNC4)c3O)nc2cc1F 13444378 JTWPXAPBCSEZRE-VIFPVBQESA-N 355.373 2.099 0 1 FEAF CC(C)(C)CC(C)(C)NC[C@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2 169319463 KFGVTGYQHZQTHM-JQHSSLGASA-N 365.514 2.051 0 1 FEAF N[C@H]1CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1=O 205250430 UCDTVUPIWRMUQR-AWEZNQCLSA-N 371.404 2.146 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 100829356 YOQIGAVHLYFIAF-XMSAFIHFSA-N 364.438 2.243 0 1 FEAF endogenous,in-man CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3sccc3nc2-1 26402226 MOZBJUOBHJHCIP-SFHVURJKSA-N 354.387 2.141 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]13CCC1=C(C(=O)OC1)[C@@H](O)/C=C/[C@@H]32 214802744 AHAPUAPISQPISM-NPIGXJEQSA-N 356.374 2.454 0 1 FEAF CCC(=O)O[C@@H]1C[C@@H]2CCN(C)[C@@H]2[C@H]2c3cc4c(cc3C(=O)O[C@H]12)OCO4 13403543 HDZLTIJNQKKGDY-IPOGRHHXSA-N 373.405 2.084 0 1 FEAF biogenic COc1ccc(OCCCON2C(N)=NC(N)=NC23CCCCC3)cc1 72105226 ZMHQLDMZOJEMLH-UHFFFAOYSA-N 361.446 2.001 0 1 FEAF CC(C)Cc1ccc([C@@H](C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])cc1 40881320 GGRHCGFYZFFSLC-GFCCVEGCSA-N 370.358 2.317 0 1 FEAF Cn1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)n1 82154317 GTRGUNZMBJAFED-SMDDNHRTSA-N 356.451 2.094 0 1 FEAF CC(C)[C@H](NC(=O)c1ccc(N)c(OCc2ccc(O)cc2)c1)C(=O)O 84653367 XNLHJOFNNMUHOU-KRWDZBQOSA-N 358.394 2.392 0 1 FEAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5ccnn5C)c4[nH]3)ccc21 143149079 WLTDMWHMHYLJMY-UHFFFAOYSA-N 359.393 2.460 0 1 FEAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@H]2CS1 146167252 VBXCGICXNVLUFX-XABDRZNLSA-N 352.366 2.382 0 1 FEAF COc1ccc2cncc(CC(=O)Nc3ccccc3S(N)(=O)=O)c2c1 473127129 ANAOJOVVZVNEBG-UHFFFAOYSA-N 371.418 2.072 0 1 FEAF CCOC(=O)c1c(CN2CCCC2)[nH]c2ccc(S(C)(=O)=O)cc12 587651599 WWUUPAMJNKGGDF-UHFFFAOYSA-N 350.440 2.344 0 1 FEAF CC1(C)OC(=O)C(c2nc3ccc(I)cc3[nH]2)=C1N 587255169 GRJIFVVNJVWABH-UHFFFAOYSA-N 369.162 2.173 0 1 FEAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3ccncc3[nH]2)cc1 586947161 VGZQPAGAVSIEDQ-CYBMUJFWSA-N 358.423 2.082 0 1 FEAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(S(N)(=O)=O)cc1 963047350 NZSROYMKUQAXJF-GOSISDBHSA-N 369.446 2.126 0 1 FEAF Cc1n[nH]c(C)c1CCNC(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 12707356 DFXVWEXLHIJRQT-INIZCTEOSA-N 372.444 2.263 0 3 FEAF CC(C)[C@H](c1nnnn1C(C)(C)C)N1CCN(Cc2cccnc2)CC1 19445947 POEXVWGSEAKPQB-QGZVFWFLSA-N 357.506 2.338 0 3 FEAF O=C1NC(=O)C(CSCc2cccnc2)(CSCc2cccnc2)N1 835571 BSHJGSMZYNQMSZ-UHFFFAOYSA-N 374.491 2.221 0 1 FEAF CNCCNC[C@@H]1CCC[C@]12C[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)CCC[C@@]1(O)C2 2356365433 MGICYJJSAWMNGJ-MTPZLDIWSA-N 350.547 2.294 0 1 FEAF C[C@@H](C(=O)N1CCC2(CC1)OCCO2)[C@H]1Sc2ccccc2NC1=O 3047413 MHHWFDVCHHZDPU-IUODEOHRSA-N 362.451 2.101 0 3 FEAF Cn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(O)c1)C1=C(O)c3ccccc3C1=N2 101576699 XZTHXNBJXZQROV-CQSZACIVSA-N 373.368 2.328 0 1 FEAF CC(C)[C@H](C(=O)Nc1ccc(F)cc1)c1nc(N2CCOCC2)cc(=O)[nH]1 115068700 VBIJPOZMDQGGTD-KRWDZBQOSA-N 374.416 2.124 0 1 FEAF O=C([C@H]1CCCN1C(=O)OCc1ccccc1)N1CCC[C@H]1C1OCCO1 28257223 YUKPOYNFGXVABT-SJORKVTESA-N 374.437 2.152 0 1 FEAF CCN1c2nc(-c3ccc(Cl)cc3)c(Cl)nc2C(N)=NS1(=O)=O 26970506 KNQXCGHYHZXHRT-UHFFFAOYSA-N 372.237 2.240 0 1 FEAF C[C@H](O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356433375 ICLJUDISOCRJDM-LPIZJFBNSA-N 352.515 2.473 0 1 FEAF COc1c(-c2ccc3c(c2OC)O[C@H](CO)[C@@H]3CO)ccc2c1OCC2 14695339 OEPJKRZARIIETN-HZPDHXFCSA-N 358.390 2.135 0 1 FEAF biogenic CC(C)N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCc1cccs1 199248249 SLSMCOUJEKCIKL-OAHLLOKOSA-N 357.435 2.236 0 3 FEAF CN1CCc2cc3c(cc2[C@H]2O[C@H](O)c4c(ccc5c4OCO5)[C@@H]21)OCO3 238747675 XUYAYNRYVXHNOQ-NSHGMRRFSA-N 369.373 2.435 0 1 FEAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)NC1CCCC1)C2 95794669 UDUBVGLVALRKJF-PKOBYXMFSA-N 371.481 2.090 0 1 FEAF COC(=O)c1ccc2c(c1)NC(=O)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438850 IHVTXCNNETWGJK-ZUOKHONESA-N 365.341 2.077 0 1 FEAF CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1NCCc2nc3ccccn3c21 962992749 YWRAZCFBOGFORU-ZBFHGGJFSA-N 358.442 2.157 0 1 FEAF C[C@H]1C(=O)NCCN1C(=O)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 1772599573 NOYODDUFFJWPJF-NSHDSACASA-N 374.404 2.067 0 1 FEAF Nc1nc(N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)ncc1F 12203305 IQNODOIIKCNNIV-INIZCTEOSA-N 356.449 2.331 0 1 FEAF O=C(O)[C@@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1ccccc1 13807261 KENABUKLZKAHBP-JKSUJKDBSA-N 356.426 2.484 0 1 FEAF O=c1n(CN2CCN(c3cccc(Cl)c3)CC2)c(O)c2n1CCCC2 169714910 AOLMYMJZZPWPCQ-UHFFFAOYSA-N 362.861 2.125 0 1 FEAF O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(O)cc(O)c1 1857555667 GJHVNBSVGLNZAG-UHFFFAOYSA-N 370.405 2.221 0 1 FEAF Cc1cc(O)nc(-n2ncc(C(=O)N3CCC[C@H](C(F)(F)F)C3)c2C)n1 1857582277 AEXGQVGIARFTOD-NSHDSACASA-N 369.347 2.399 0 1 FEAF Nc1nc(Cl)c(N)c(NCC2(CO)CC(OCc3ccccc3)C2)n1 1645757 GLTYIOHVCFVXNA-UHFFFAOYSA-N 363.849 2.064 0 1 FEAF CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCCO)cc1 4041275 XWHBMTPZYUICIB-NVXWUHKLSA-N 359.451 2.014 0 1 FEAF CN1C(=O)[C@H]2[C@H]3O[C@@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O 101410290 QMSLDDDUADQJHZ-YRXWBPOGSA-N 363.369 2.021 0 1 FEAF COc1cccc(CNCC2(COc3ccccc3)C[C@@H](O)[C@H](O)C2)c1 2356298630 PPWMXSMPOOVBQL-WOJBJXKFSA-N 357.450 2.366 0 1 FEAF COc1ccc(Cl)cc1C(=O)NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2C 101771796 HXTFICGSLXPLSK-STQMWFEESA-N 351.834 2.413 0 1 FEAF CC[C@@H]1CN2CC[C@]34c5ccccc5-n5c3c(cc(C(N)=O)c5=O)[C@H]1C[C@@H]24 2356546178 CDEKPRALPONZLA-MCNKPLBUSA-N 361.445 2.137 0 1 FEAF CC(C)NC[C@@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@H]1O 2356596717 ONQRAODOWPZCMU-UHOSZYNNSA-N 351.491 2.110 0 1 FEAF COCCN1CCC[C@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1=O 20866147 YPOQLQWNVYCTHC-HXUWFJFHSA-N 355.438 2.269 0 1 FEAF N[C@H](CNc1nccc(-c2ccncc2)n1)[C@H](O)c1c[nH]c2ccccc12 45351492 RZLJWZSSEDKFDQ-VQIMIIECSA-N 360.421 2.493 0 1 FEAF COC(=O)[C@H]1[C@@H](O)CC[C@H]2C[n+]3ccc4c([nH]c5ccccc54)c3C[C@@H]21 85922656 UWMTZXSCMQAECK-RMBDZISWSA-O 351.426 2.341 0 1 FEAF CCCc1c(O)ccc2c1O[C@H]([C@H]1NC(=O)C=C(C(F)(F)F)N1)CC2=O 587464670 VRMIMMMYFZANPC-BLLLJJGKSA-N 370.327 2.170 0 1 FEAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 587042929 NUURXRZWQXVFEM-ZDUSSCGKSA-N 357.443 2.159 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(CCO)c2)N1 587762421 YSADHNYKDBYLAJ-PSLIRLAXSA-N 354.223 2.401 0 1 FEAF CCOC(=O)c1cc(CC)cc(CCn2cnc3c2NC=NC[C@H]3O)c1 13807678 KQKHATZTPALWEH-MRXNPFEDSA-N 356.426 2.352 0 1 FEAF CC(C)(O)[C@H]1c2ccccc2CCN1C(=O)CNCC1(O)CCCCC1 168553466 DVDPLMPHMILMBS-LJQANCHMSA-N 360.498 2.168 0 1 FEAF CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4ncccc4o3)n2n1 205072998 ZFAPZAUNIBKWFG-UHFFFAOYSA-N 372.406 2.351 0 1 FEAF CC1=C(O)[C@@H]2O[C@@]3(O)C(=O)C[C@@H](C)[C@H]4C[C@@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C 100781988 WKNPIBKVHHVICI-XPEHBQPYSA-N 360.406 2.029 0 1 FEAF endogenous,in-man O=C(NCc1ccccc1Cl)c1noc2ncnc(N3CCOCC3)c12 20993663 KWBPLJOAUMXHDB-UHFFFAOYSA-N 373.800 2.038 0 1 FEAF CC=C1CN2CC[C@@H]3Nc4ccccc4[C@@H]3[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 2356446763 QLRORKBBLVDRPD-LPBINRMYSA-N 356.466 2.386 0 1 FEAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@](C)(O)[C@H](O)CC[C@@]13C 2356582774 XEMFUWNKYXGJQS-UUHYJVAHSA-N 366.498 2.409 0 1 FEAF CO[C@H]1O[C@@H](OC)C2=C1[C@]1(C)CCCC(C)(C)[C@@H]1[C@@H](OC(C)=O)[C@H]2O 2356786153 ZEDMMLGFFDFHCX-YDRUYBAWSA-N 354.443 2.397 0 1 FEAF CC(C)(C)NCC(=O)N1CCC[C@H]1C(=O)c1noc(-c2ccc(F)cc2)n1 28823339 KUMMPBZADJJURH-AWEZNQCLSA-N 374.416 2.438 0 1 FEAF CC1=C2C[C@@H](O)C=C3C(=O)OC[C@]32C=CC2=C1[C@H](c1ccoc1)OC2=O 85843922 OHRYPZSDRFBQMN-ZINOCKGTSA-N 352.342 2.295 0 1 FEAF C/C=C1\CN2CC[C@]34c5ccccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@@H]1C[C@H]25 195466027 HAGBWVNSVWLTKY-SXGMQTAOSA-N 366.461 2.314 0 1 FEAF CNC[C@@H]1Oc2ncc(-c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95849013 FLGMQGRFTAGVNH-KHYOSLBOSA-N 369.465 2.188 0 1 FEAF CC[C@@H](c1nc2ncc[nH]c-2n1)n1cc(I)c(C)n1 587186080 ZOSQCRJNSYHBLF-VIFPVBQESA-N 368.182 2.413 0 1 FEAF CS(=O)(=O)CCn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658869 VSUFUWWOVAEUEE-UHFFFAOYSA-N 364.373 2.386 0 1 FEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(S)nc(S)nc2[nH]1 587226402 ZBPNBAMBTAHOAQ-QMMMGPOBSA-N 361.452 2.014 0 1 FEAF CC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1noc(N)n1 206689009 WPWHFIRDIAUGSU-UHFFFAOYSA-N 357.414 2.378 0 1 FEAF FC(F)(F)[C@H]1CN(c2nc(-c3ccncc3)nc3cnccc23)CCN1 224046168 NCWUWMQIMGPXQR-CQSZACIVSA-N 360.343 2.427 0 1 FEAF NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2c1CCc1n[nH]cc1-2 14945802 LUMYIBLGYSVYOS-UHFFFAOYSA-N 363.299 2.359 0 1 FEAF CC(C)=C[C@H]1O[C@@]2(C)C[C@H](O)O[C@@]13[C@@H](C)[C@@H]1CC[C@H](C)[C@]1(O)C(=O)[C@@H]23 207656214 CVPRVMFLHNNGRF-FJBSPYDPSA-N 350.455 2.200 0 1 FEAF COc1ccc(-n2cnc3c(N[C@H](CCSC)C(=O)O)ncnc32)cc1 1858680 AUSRVTQSFYFCIT-CYBMUJFWSA-N 373.438 2.442 0 1 FEAF CC(=O)N1CCC(N2C[C@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)CC1 2356349360 DEVKKSKVEUQZOB-YJBOKZPZSA-N 360.433 2.113 0 1 FEAF N[C@H]1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2Cl)C1 6524293 ZNYYQZSGLBWMDX-VIFPVBQESA-N 365.792 2.205 0 1 FEAF CCc1nc2cccnc2n1-c1ccc(CC(=O)NCCN(C)C)cc1 6900887 QIMHHFJNYKDZAF-UHFFFAOYSA-N 351.454 2.203 0 1 FEAF COc1ccccc1[C@@H]1c2cc3c(cc2O[C@@]2(OC)COC(=O)[C@@H]12)OCO3 105517535 WRLLJZYUHKBCFJ-GGPKGHCWSA-N 370.357 2.464 0 1 FEAF CCOC(=O)N1CCN(C[C@H](O)COCC2=CC[C@@H]3C[C@@H]2C3(C)C)CC1 101654809 YMACKEAEDRGJSR-SQNIBIBYSA-N 366.502 2.130 0 1 FEAF COC(=O)c1ccc(NC(=O)CCN2CCC(Cc3c[nH]cn3)CC2)cc1 28563451 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366.211 2.294 0 1 FEAF COc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1C 586959306 PZALMNOBKYJGPL-QGZVFWFLSA-N 361.423 2.349 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](C2)C3=O 587450277 SLADZTSYTOACGF-KXBFYZLASA-N 373.430 2.434 0 1 FEAF CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(=O)oc2cc(C)ccc12 1772617118 UIUMHEWEDAXIDL-INIZCTEOSA-N 358.419 2.457 0 1 FEAF Cc1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCC4)C2)n2ncnc2n1 1772626955 VOQJMNVKRKGOBN-INIZCTEOSA-N 363.421 2.387 0 1 FEAF O=C(NC1CCCC1)[C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 5066886 UXGWEACFQCSONN-MRXNPFEDSA-N 373.478 2.447 0 3 FEAF O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)Cn2cncn2)C1 11873761 CSHSNUPIDIUETJ-ZDUSSCGKSA-N 366.343 2.418 0 3 FEAF COc1ccccc1N1CCN(CCNC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 13741014 XQGRZJQQNFCESY-SQNIBIBYSA-N 355.482 2.146 0 1 FEAF COc1ccccc1N1CCN(CCCCN2C[C@H]3CCCN3C2)CC1 19332304 VHPARWYQZXICHJ-LJQANCHMSA-N 358.530 2.335 0 1 FEAF O=C1C[C@]23CCN(CC4CC4)[C@@H]4C[C@H](O)[C@@H]1C[C@@]42Cc1ccc(O)cc13 169292083 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FEAF C[C@](CN1CCOCC1)(NS(=O)(=O)c1ccccc1)c1ccccc1 33403117 UBHIXSIKGGZION-LJQANCHMSA-N 360.479 2.213 0 3 FEAF CCNC[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 34152765 ITOFRIWHUYCDAO-NSHDSACASA-N 374.416 2.005 0 1 FEAF CC(C)c1cccc2c1NC(=O)[C@@]21N(C)CC[C@@]12CN(N=O)CCC2=O 49072744 IDDVCBDDELSDJR-OALUTQOASA-N 356.426 2.236 0 1 FEAF COc1cc(C[C@@H]2CO[C@H](O)[C@@H]2Cc2ccc3c(c2)OCO3)ccc1O 14760272 JVSMRGQVKRWGGM-SXGZJXTBSA-N 358.390 2.496 0 1 FEAF biogenic CCOC(=O)C(=O)Nc1nc(-c2ccc(N3CCOCC3)cc2)cs1 40467014 JUKVMQYTCVDJEO-UHFFFAOYSA-N 361.423 2.148 0 1 FEAF C[C@@H]1C[C@H]2O[C@@H]2C=CC=C[C@H](O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 299810946 XYSBXIOQSHEANG-ANGCBRKESA-N 366.797 2.483 0 1 FEAF COC(=O)/C(=C\N(C)C)[C@@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429545 PJIZQALYWCBURE-UCLCMDLTSA-N 357.406 2.210 0 1 FEAF CC1=C(c2ccc3nc(CSc4cccc[n+]4[O-])[nH]c3c2)NNC(=O)C1 586969729 WUCPHHCDBPFSQV-UHFFFAOYSA-N 367.434 2.244 0 1 FEAF CC(=O)Nc1cccc(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 587242854 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BBPVPWNUFRIWDB-MRXNPFEDSA-N 357.406 2.301 0 1 FEAF CO[C@@H]1CC[C@@H](c2ccc(C3=C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O 26751687 ILJHZGAHUBQWII-RIFZZMRRSA-N 371.433 2.373 0 1 FEAF Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)cc1C 116778715 ZLRQIAUBXZZDPH-UHFFFAOYSA-N 356.407 2.384 0 1 FEAF O=C(O)CCCC=CC[C@@H]1C(=O)C[C@H](O)[C@H]1C=C[C@@H](O)CCCCCO 2356698025 AZIGEYVZEVXWAD-DWRORGKVSA-N 368.470 2.224 0 1 FEAF CCCCc1cc2c(=O)n3cc(C(=O)Nc4nnn[nH]4)ccc3nc2s1 27991471 DXQFWLRZKYRSNJ-UHFFFAOYSA-N 369.410 2.017 0 1 FEAF Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)OC[C@@H]3CCCN3C)co2)cc1 82070815 ZEEJWJGBNMTYMW-ZBFHGGJFSA-N 371.437 2.406 0 1 FEAF O=S1(=O)N(CC[C@H](O)CNC2CC2)c2ccccc2N1c1ccccc1 49034388 AZFGCYKKRIPXTL-KRWDZBQOSA-N 373.478 2.393 0 1 FEAF CC1(C)OC(=O)C[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586913420 ZBGUAQSKIDXIRT-LLVKDONJSA-N 353.382 2.431 0 1 FEAF COc1ccc(/C=C\Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(OC)c1 587931042 YIEBTYYDUNRIHO-ARJAWSKDSA-N 373.434 2.483 0 1 FEAF 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CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@@H](C=CC(=O)O)[C@@](C)(O)[C@H]1O 2356711219 OZESVNMBZAEFCX-QNSLHCDCSA-N 354.443 2.133 0 1 FEAF O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(Cc1nccs1)C2 71295013 CUCZFZMMHBLYCP-UHFFFAOYSA-N 363.508 2.430 0 1 FEAF c1ccc(CNc2nc(Nc3ccncc3)nc(N3CCNCC3)n2)cc1 45300236 ISYXVFFEJOZHOV-UHFFFAOYSA-N 362.441 2.032 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@H](O)C(F)F)ncc23)ccn1 261168727 SNDVZYJDIGDYRH-LBPRGKRZSA-N 362.340 2.076 0 1 FEAF C[C@@H]1OC=C2c3c(c4ccccc4n3C(=O)CO)CCN3C[C@H]1[C@H]2CC3=O 85831124 RBFOYRLZWHEUTR-APHBMKBZSA-N 366.417 2.054 0 1 FEAF biogenic Cc1cccc2c(C3=C(c4nnc5ccccn45)C(=O)NC3=O)cn(C)c12 299855802 GIQGELXCYSCDQF-UHFFFAOYSA-N 357.373 2.097 0 1 FEAF CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H](O)[C@H]1c1ccc(F)cc1 653916405 SPIQTWYJGYNQCU-QRVBRYPASA-N 371.408 2.492 0 1 FEAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 586939947 VJIZVIZBTHWQOA-QMMMGPOBSA-N 373.360 2.355 0 1 FEAF C[C@]1(c2ccc(C(F)(F)C(=O)O)[nH]2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962924589 UCJGONGGTZQSPI-ZBEGNZNMSA-N 368.311 2.193 0 1 FEAF CC(=O)[C@H]1[C@H](c2ccc(OC(F)F)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 12377546 RBFZONRYEOTPMK-KWBADKCTSA-N 368.258 2.098 0 1 FEAF COc1cc(C[C@H]2C(=O)OC[C@@H]2C(=O)c2ccc(O)c(OC)c2)ccc1O 14646833 VBBXDTGECAKSAY-KGLIPLIRSA-N 372.373 2.330 0 1 FEAF biogenic,in-vitro Cc1c(N2C[C@H]3CCN[C@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6521015 IVQFSHLKPMWIHO-WBMJQRKESA-N 371.412 2.121 0 1 FEAF Cc1nn(CC(=O)NC[C@@H]2CCCO2)c(=O)c2c1sc1ccccc12 6798985 KRYJQPRLFGIXKW-LBPRGKRZSA-N 357.435 2.215 0 1 FEAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1cccs1)C2 101505635 MBWMYGSPBJUFLX-ZSOGYDGISA-N 351.472 2.219 0 1 FEAF CS(=O)(=O)N1C[C@@H]2[C@@H](c3ccccc3)[C@H](C1)N2Cc1ccc(F)cc1 100087522 UQLHAIUPXSNUMW-REPLKXPHSA-N 360.454 2.438 0 1 FEAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C(C)C)CC2)cs1 2356452620 XJRMTDQLHFYXCY-HNNXBMFYSA-N 353.532 2.446 0 1 FEAF COc1cc(O)c2c(c1)[C@H]([C@@H]1CC[C@H](O)[C@@]3(CCC[C@@H](C)O3)O1)OC2=O 2356501119 OJAFRAAQCYCPAI-LQFBVKMBSA-N 364.394 2.438 0 1 FEAF COc1ccc(CNc2nc(N3CCC[C@H](C(N)=O)C3)ncc2C)cc1 82203775 YSWRKIOECZECCU-HNNXBMFYSA-N 355.442 2.107 0 1 FEAF CCO[C@H]1O[C@H]2CN(C)[C@H]3C[C@@H](OC)C=C[C@]32c2cc3c(cc21)OCO3 85808167 KLPOJDWFOJJRDU-CYZGAOKHSA-N 359.422 2.376 0 1 FEAF biogenic,in-vitro C[C@H](O)CCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 199820034 WTJYDBMHYPQFNJ-VUGUVNTNSA-N 368.470 2.222 0 1 FEAF O=C(NCc1ccc(CO)cc1)c1coc(-c2ccc3c(c2)OCO3)n1 82081685 QUYQEMGXMJDNKV-UHFFFAOYSA-N 352.346 2.493 0 1 FEAF CO[C@H]1O[C@@H](OC)C[C@H]2[C@H](CC(=O)c3ccc(O)cc3)C[C@](C)(O)[C@@H]12 95912366 PVROCOPQOJHZLO-YVEWYESPSA-N 350.411 2.334 0 1 FEAF biogenic,in-vitro COc1nc(-c2ccc3c(c2)OCO3)nc(=NCCc2ccc(F)cc2)[nH]1 473162827 OYOCPWWRIFYUHT-UHFFFAOYSA-N 368.368 2.492 0 1 FEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)c1 586936055 MMNDWVQDLPPCGK-UHFFFAOYSA-N 374.348 2.054 0 1 FEAF COC(=O)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 586949940 IGLBPZIZSJPVMG-UHFFFAOYSA-N 359.407 2.312 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)OC(=O)C2)N1 587828863 ANHFESZZEOBBPY-ZIDLFYJRSA-N 370.174 2.233 0 1 FEAF CCn1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n1 962647108 XWPRKPSXDXHBSN-UONOGXRCSA-N 355.316 2.490 0 1 FEAF COC[C@H]1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1 12707783 SONXXGGKDFTUBD-NSHDSACASA-N 351.790 2.411 0 3 FEAF OCC[C@H]1CN(C2CSCCSC2)CCN1Cc1ccccc1 19739849 FDXOUXOZJCFNKJ-KRWDZBQOSA-N 352.569 2.404 0 3 FEAF Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(O)cc3)C(=O)C[C@H]12 206390897 ONHYONNCZLFXGH-INIZCTEOSA-N 364.401 2.349 0 3 FEAF O=C(N[C@H](CO)[C@H](O)c1ccccc1)[C@@H]1C[C@H](C2CCCCC2)CCN1 1857610932 UELZFBJUTXKFIJ-IYWMVGAKSA-N 360.498 2.146 0 1 FEAF C[C@]1(C(=O)NCCCN2CCCC2=O)CON=C1c1ccc(Cl)cc1 2462474 IITPWGVDFZISRJ-SFHVURJKSA-N 363.845 2.209 0 1 FEAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 4040744 NWSDAMSPURXNMO-LMMKCTJWSA-N 371.437 2.325 0 1 FEAF C[C@]1(O)CCN(Cc2cncnc2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356288319 AOSZFNZGINDLCY-DYXWJJEUSA-N 366.465 2.069 0 1 FEAF O=C([C@H]1CCN(c2ccccc2)C1=O)N1CCN(Cc2ccccc2)CC1 20601698 HCAUMXOCTMBVNX-HXUWFJFHSA-N 363.461 2.384 0 1 FEAF CC=C1CN(C)C[C@@]2(C(=O)OC)[C@@H](O)c3c([nH]c4ccccc34)C(=O)C[C@H]12 2356694847 KYZVNPNCPMAADF-RFVSGWPVSA-N 368.433 2.455 0 1 FEAF COC(=O)[C@@H]1C[C@H]2C(Br)=C[C@H]1C(=O)N2Cc1ccccc1 2356723902 WQKDPAPCVFBTSL-BZPMIXESSA-N 350.212 2.485 0 1 FEAF C[C@H]1C=C[C@H]2[C@H]3C=C[C@@H]4C[C@H](C)CC[C@H]4[C@]3(C)C(=O)[C@@]23C(=O)NC(=O)[C@@]13O 2356875320 ZOSRQAKCEVCQIS-KBARFPSPSA-N 369.461 2.010 0 1 FEAF CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(CC[C@H]1O)[C@@H]24 138487833 WIULGYANQGQQJM-RCOXNQKVSA-N 354.450 2.416 0 1 FEAF CCc1nc(C(=O)N2CCC[C@H](C(=O)OC[C@H]3CCCN3C)C2)cs1 82069664 VVQAEGUXJHOBFQ-UONOGXRCSA-N 365.499 2.195 0 1 FEAF C=CS(=O)(=O)N1CCN(C(=O)c2cc(C3CCCCC3)no2)[C@H](C)C1 618017543 PCTURCZRVXSDBB-CYBMUJFWSA-N 367.471 2.342 0 1 FEAF O=C(C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)N1CCCC1 587661460 OUMDJHZZMNNLRN-UHFFFAOYSA-N 365.364 2.465 0 1 FEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586962647 UGSYDXQSVVEAFG-QMMMGPOBSA-N 358.427 2.196 0 1 FEAF Cc1cnc(Cl)c2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 586957610 CNFDKBQJZPELIW-OAHLLOKOSA-N 366.830 2.389 0 1 FEAF CCOC(=O)[C@]1(c2cnn(C)c2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962633256 KADAFBGHVHIZBR-RBZFPXEDSA-N 373.453 2.120 0 1 FEAF CC(=O)Oc1ccc2c3c1O[C@H]1[C@H](OC(C)=O)CC[C@@H]4[C@@H](C2)N(C)CC[C@]341 169692928 NCXVKLDKUADJPV-IRRRHHOXSA-N 371.433 2.213 0 1 FEAF O=C(O)c1ccccc1N1CCN(C(=O)COc2cccc(F)c2)CC1 1857562704 FAVYFGRWVTVGRU-UHFFFAOYSA-N 358.369 2.252 0 1 FEAF CNC(=N)N1C=C[C@@H]2CC[C@@H]3[C@H](O)C(C(=O)O)=C4C[C@H]5CC[C@@H](C)[C@]43[C@]25C1 2356357539 SYMFDMQOTJVAQF-SNFVQHBOSA-N 371.481 2.174 0 1 FEAF C[C@@H](C(=O)N1CCC2(CC1)OCCO2)[C@@H]1Sc2ccccc2NC1=O 3047410 MHHWFDVCHHZDPU-DOMZBBRYSA-N 362.451 2.101 0 3 FEAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H]4C[C@H]3CN4)cc21 100901474 RYQSZLBAAXBMHA-MNOVXSKESA-N 359.401 2.144 0 1 FEAF CC=Cc1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1O 2356753540 GZMDTMLCGYJSFR-UHFFFAOYSA-N 374.345 2.413 0 1 FEAF COc1ccc(N2C(=O)[C@H](O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 26162663 KEARSTRZIKHVJC-DLBZAZTESA-N 359.378 2.170 0 1 FEAF CC(C)[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCN 82082450 IFXVEMSXJWHSET-AWEZNQCLSA-N 362.455 2.143 0 1 FEAF C[C@@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccncc3)c(=O)n21 82212147 GINSCXWBAFYJDH-CYBMUJFWSA-N 357.458 2.288 0 1 FEAF C/C=C1\CN2CC[C@]34c5ccccc5N(C)[C@@]35OC[C@]4(C(=O)OC)[C@@H]1C[C@H]25 195466014 HAGBWVNSVWLTKY-FMHBXWKGSA-N 366.461 2.314 0 1 FEAF CCc1c(-c2ccc(N3CC[C@@H](CNC)C3)cc2)[nH]c(=O)c(C(=O)O)c1O 145348258 KRDBDWRFPGBUBT-LBPRGKRZSA-N 371.437 2.054 0 1 FEAF COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1cc(=O)oc2ccccc12 95572608 ZZQUGEBYEPDCHR-JSGCOSHPSA-N 361.394 2.264 0 1 FEAF CC[C@]12CCCN3C[C@H](O)c4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 33854430 TXHURIYMDHQMPV-MTOHEIAKSA-N 370.449 2.443 0 1 FEAF biogenic CCS(=O)(=O)NCCCc1nc2ccc(F)c(Br)c2[nH]1 586942482 MLTCJOZMMJVSDE-UHFFFAOYSA-N 364.240 2.336 0 1 FEAF CCOC(=O)c1cc(Br)c2[nH]c([C@@]3(N)CCOC3)nc2c1 587247603 UQQXUJCDOVZYSS-CQSZACIVSA-N 354.204 2.076 0 1 FEAF O=C(c1ccccc1-n1cc(-c2ccc(F)cc2)nn1)N1CC[C@@H](O)C1 1772631802 QBTKFKKOAQYYJP-OAHLLOKOSA-N 352.369 2.280 0 1 FEAF C[C@H](NC(=O)C[C@@H]1[C@H](O)CC[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO)C(C)(C)C 2356364271 RSPFXXVMPYBSBP-PNXAGLBASA-N 369.546 2.474 0 1 FEAF CCN1CCC[C@@H]1CNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C 4930637 CXFDTEHCNSTDNH-CYBMUJFWSA-N 352.438 2.234 0 1 FEAF COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cnc(SC)n1Cc1ccccc1 103170714 SLVSOEZJEXIAQF-OAHLLOKOSA-N 372.450 2.454 0 1 FEAF CO[C@H]1CC[C@@H](c2ccc(C3=C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O 26751692 ILJHZGAHUBQWII-KNBMTAEXSA-N 371.433 2.373 0 1 FEAF Cn1c(C(C)(C)C)nc(C(=O)NCc2cccc3cc[nH]c23)c(O)c1=O 29047824 AJGWMYJQISFUBH-UHFFFAOYSA-N 354.410 2.195 0 1 FEAF CC=C1CN(C)[C@H]2C[C@@H]3[C@H](N[C@@H]4CCCC[C@H]34)C(=O)C[C@H]1[C@H]2C(=O)OC 2356486703 AYJGPXFEPLVVNT-HHVHBONLSA-N 360.498 2.162 0 1 FEAF N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3c[nH]cn3)cc2)c1 26294096 RZYRJOMZMJXYOU-UHFFFAOYSA-N 363.421 2.429 0 1 FEAF CO[C@@H]1CC(=O)[C@@H]2[C@H](O)CCC3(Oc4cccc5cccc(c45)O3)[C@H]2[C@H]1O 2356596323 GBCWVCFIPWNQDZ-PQSJUMPYSA-N 370.401 2.043 0 1 FEAF NC[C@@H]1Cc2cc(-c3nccc(N4CCC(O)CC4)n3)cc(Cl)c2O1 67654296 XGSQDPSCMLMJTN-AWEZNQCLSA-N 360.845 2.020 0 1 FEAF O=C(O)c1ccccc1CN1CC[C@]2(Cc3ccccc3CNC2=O)C1 71994122 HKJSQESKAGBANV-NRFANRHFSA-N 350.418 2.449 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CN(C)C[C@@H]4F)ncc23)ccn1 219747219 IAMXJUXWTFPCBR-ZFWWWQNUSA-N 369.404 2.102 0 1 FEAF COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2nonc2C)cc1 45258366 QVMAZPPRIYRPAO-OAHLLOKOSA-N 353.382 2.380 0 1 FEAF O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F 95667762 PWZUSQLFFRQDIV-HZPDHXFCSA-N 368.399 2.390 0 1 FEAF CCN1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 95869549 YXKNAACKMYCBFZ-SBHAEUEKSA-N 354.425 2.484 0 1 FEAF CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1cccc(Cl)c1 96021232 GHQSNAQOIQNHAG-CYBMUJFWSA-N 363.888 2.150 0 3 FEAF CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CN(C)C(=O)c1ccccc1F 95895402 ATRGBFQTEIUFSL-VAMGGRTRSA-N 370.424 2.273 0 1 FEAF O=C(NC1CCCCC1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 250105338 ZWUANCSARYZRFS-YLAKUSLOSA-N 372.490 2.479 0 1 FEAF CCSc1ccccc1C(=O)N(C)C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1 618013981 GOSHFYQLAPWQME-KMFMINBZSA-N 361.511 2.475 0 1 FEAF CCOC(=O)C(=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800437 XBQOHCCPYYZJBT-AYVTZFPOSA-N 358.207 2.470 0 1 FEAF COc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cn1 587193795 QRLPGCXCAMZASE-UHFFFAOYSA-N 354.410 2.486 0 1 FEAF Cc1ccc(NC(=O)N2CCN(c3[nH]c(=N)nc4scnc34)CC2)cc1 1857762545 HMQLMQSTHSKWMO-UHFFFAOYSA-N 369.454 2.161 0 1 FEAF Cc1nc(N2CCOCC2)c2nc(-c3ccccc3)n(CCN(C)C)c2n1 7991815 BHICWTKRAIUMFK-UHFFFAOYSA-N 366.469 2.200 0 1 FEAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@H](O)[C@@]13C[C@H](CC[C@@H]21)[C@](O)(CO)C3 102975830 DJQLZKDZWLXHRN-GOVDMQMQSA-N 352.471 2.178 0 1 FEAF C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1)C(=O)OC(C)(C)C 28527916 UDKXYQUKCAJUOY-LLVKDONJSA-N 358.398 2.122 0 1 FEAF O=C(N[C@H]1CNCCC[C@@H]1O)c1ccc(OCc2ccc(F)cc2)cc1 2356876540 ZLSCFMVMILXQQM-OALUTQOASA-N 358.413 2.247 0 1 FEAF C[C@@H]1CN2C[C@@H]3CC[C@@H]4CCC=C4[C@@]45CCC(=O)O[C@@H]4[C@@]2(C[C@@]35CO)C1=O 14955472 NSXREQMEZLBUTD-CLGIXMGASA-N 371.477 2.080 0 1 FEAF biogenic CC[C@H](C)NC(=O)CCc1nnc2c(=O)n(-c3cc(C)cc(C)c3)ccn12 71928055 DDPGQZOGSXEMGM-HNNXBMFYSA-N 367.453 2.344 0 1 FEAF CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccccc2)c1=O 45355180 KGABEINPFFTCPX-UHFFFAOYSA-N 364.405 2.149 0 1 FEAF NC(=O)c1cnc(Nc2ccc(CCO)cc2)nc1NCc1ccccc1 40874067 JFBUVHYRIACKNM-UHFFFAOYSA-N 363.421 2.466 0 1 FEAF CNc1nnc(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)s1 84619491 WZIDKJKMKMKBMO-UHFFFAOYSA-N 368.422 2.225 0 1 FEAF CCC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)/C=C\CCC/C=C\[C@@H](O)C1=CC=CCC1 238764932 RDGMNPKVEAUIJA-VKTLYJHQSA-N 366.498 2.150 0 1 FEAF O=C(O)CN1C(=O)/C(=C\c2ccc(O)cc2)N(Cc2ccccc2)C1=O 473152642 URWFWIREGJBCGH-MHWRWJLKSA-N 352.346 2.282 0 1 FEAF C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1C(=O)OCc1ccccc1 13557248 ZZYMTFSRMGVTHN-MLGOLLRUSA-N 374.359 2.169 0 1 FEAF Nc1ncnc2c1ncn2CCOC[P@@]1(=O)Nc2ccccc2CO1 13677715 RELNQNWDRHOCQJ-VWLOTQADSA-N 360.314 2.218 0 1 FEAF CC[C@]1(O)C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(C1)[C@@H]24 14682219 CPNXQIOMUYAVKQ-GBPQLKSLSA-N 354.450 2.416 0 1 FEAF biogenic COc1ccccc1[C@H]1c2cc3c(cc2O[C@]2(OC)COC(=O)[C@@H]12)OCO3 17249909 WRLLJZYUHKBCFJ-NLWGTHIKSA-N 370.357 2.464 0 1 FEAF Cc1cc(C)c(S(=O)(=O)N(CCCCCCN)OCCCN)c(C)c1 1653991 CQCBRLPBRXUXRI-UHFFFAOYSA-N 371.547 2.402 0 1 FEAF COc1ccc(-c2noc(C)c2C(=O)NCCCN2CCCC2=O)cc1 2480583 ZYOWWOYDONXUQK-UHFFFAOYSA-N 357.410 2.401 0 1 FEAF CCN(CC)[C@H]1CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC(=O)N(C)C1 2356435932 UCMLLBBHPGZSBZ-MOPGFXCFSA-N 374.529 2.399 0 1 FEAF CC/C=C/C(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26500495 BPOMMGRTEJVDIK-MBVDDHJVSA-N 362.451 2.384 0 1 FEAF COC(=O)C1=C[C@@H]2[C@H](O)[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2[C@@H](C)O1 2356687274 KHMWMNSPWIVDFD-DKBJVAOLSA-N 368.433 2.150 0 1 FEAF O[C@H]1C[C@@H](c2nc(-c3cnccn3)no2)N(CCCc2ccccc2)C1 2356856805 SDOSVHPGLPKBRY-RDJZCZTQSA-N 351.410 2.267 0 1 FEAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(C#N)cc2)[C@@H]3C)n1 218913814 BYTHHHFQHHITDO-SNVBAGLBSA-N 365.422 2.194 0 1 FEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)N1CC=C(c2ccccc2)CC1 195409765 BTXJCYPAPYUGFZ-JYBIWHBTSA-N 362.429 2.109 0 1 FEAF CC[C@]1(C)C[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 586892154 URDUCCKZNVMTEY-FOIQADDNSA-N 356.470 2.217 0 1 FEAF CC1CCC(NS(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCCO4)CC1 586952772 LEPAJUOQJGCQTK-UHFFFAOYSA-N 365.455 2.332 0 1 FEAF NS(=O)(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587016044 FHMJYQIWOBWECV-GFCCVEGCSA-N 350.425 2.185 0 1 FEAF CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCN 1772637606 MMGIMCFVDIHCIY-UHFFFAOYSA-N 357.458 2.457 0 1 FEAF O=C(O)CCNC(=O)c1ccc2c(c1)C(=O)[C@@H](CCC1CCNCC1)C2 13909341 USRRTACDGWUQNM-HNNXBMFYSA-N 358.438 2.026 0 1 FEAF Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Br 203007287 VJIJBRWAPUAYIS-UHFFFAOYSA-N 350.220 2.402 0 1 FEAF Cc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)n1 205266375 DXFVPMMMQNXSOZ-UHFFFAOYSA-N 372.436 2.195 0 1 FEAF O=C(N[C@H](CO)[C@H](O)c1ccccc1)[C@H]1C[C@@H](C2CCCCC2)CCN1 1857578887 UELZFBJUTXKFIJ-MTQWCTHYSA-N 360.498 2.146 0 1 FEAF COc1cccc(N2CCN(c3nc(O)c4c(n3)CCSC4)CC2)c1 1857590761 HKHWXFAGFIXRIT-UHFFFAOYSA-N 358.467 2.307 0 1 FEAF COc1cc(C[C@H](NCP(=O)(O)O)C(=O)O)ccc1-c1ccccc1 1538359 NQRRDOIDNXKLSF-HNNXBMFYSA-N 365.322 2.083 0 1 FEAF CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1OCc1ccccc1 59790685 FYUXMZUFURHCOX-SQDPYLFBSA-N 372.417 2.418 0 1 FEAF COc1ccc([C@H]2[C@@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 26163905 GGHZFSBKUGDMDX-DLBZAZTESA-N 359.378 2.170 0 1 FEAF CCCC(=O)O[C@H]1[C@H]2c3cc4c(cc3CN3CCC(=C[C@H]1O)[C@H]23)OCO4 2356332576 HSXFFYXJBILABT-ZVEHZALQSA-N 357.406 2.100 0 1 FEAF CC(C)[C@@H]1[C@@H](OC(=O)[C@H](C)[C@@H](C)O)C[C@@H](C)C(=O)CC=C2C[C@H]1OC2=O 2356550583 XUKCXWUWJUJRFG-VOLKWWNWSA-N 366.454 2.428 0 1 FEAF CC=C1CCN2CC[C@]34c5ccccc5N[C@@]23C[C@H]1[C@]4(CO)C(=O)OC 2356788575 XIILJJFJGOTIAO-OTNPHJDUSA-N 354.450 2.274 0 1 FEAF COCC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3 25988112 YVRMLRKWKYMHJQ-GFCCVEGCSA-N 367.405 2.170 0 1 FEAF CCOc1ccc2/c(=N/NS(=O)(=O)c3ccccn3)cc(C)[nH]c2c1 71341048 FPDVQFVARAYFIB-UHFFFAOYSA-N 358.423 2.064 0 1 FEAF O=S(=O)(N[C@@H]1CCN(CCOc2cccc(F)c2)C1)c1cccs1 95577864 BUGXDURAZFUGEK-CQSZACIVSA-N 370.471 2.319 0 1 FEAF CC(C)C[C@@H]1COc2cccc(N3CCSCC3)c2S(=O)(=O)N1 95605767 GRVZIQQFAVQLBL-CYBMUJFWSA-N 356.513 2.325 0 3 FEAF COc1ccccc1N1CCN(C[C@H]2COC3(CCSCC3)O2)CC1 299818820 AKODHNGEOUFORT-INIZCTEOSA-N 364.511 2.456 0 1 FEAF CCOC(=O)C(=O)C[C@@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 587394181 REURYIFUERJSKT-HXUWFJFHSA-N 368.389 2.355 0 1 FEAF COC(=O)[C@]1(CC(=O)c2ccnn2C)c2ccc(F)cc2C[C@H]2CCCN21 963094997 BWXJCGDTASGFJZ-QRWLVFNGSA-N 371.412 2.221 0 1 FEAF Cn1ccc(C(=O)C[C@@]2(C(F)(F)F)c3ccsc3CCN2C(N)=O)n1 962713777 PIHDTIVNOARSRU-AWEZNQCLSA-N 372.372 2.449 0 1 FEAF O=C(c1cccnc1)[C@H]1CCCN(Cc2nc(-c3cnccn3)no2)C1 13636736 XMJNODXSUVORNR-AWEZNQCLSA-N 350.382 2.017 0 3 FEAF COc1ccc2c(C)nc(N3CCC[C@H](C(=O)N[C@@H]4CCOC4)C3)nc2c1 14882190 JYHOJADUAALJLS-LSDHHAIUSA-N 370.453 2.068 0 1 FEAF CC1=C(c2nc(C)no2)N2C(=O)[C@@H](NC(=O)OCC(C)(C)C)[C@H]2SC1 1857616190 RUSXGZRCMFQMKV-QMTHXVAHSA-N 366.443 2.165 0 1 FEAF CCN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O 28109822 VVJVPQGBOPDBDS-UHFFFAOYSA-N 365.436 2.341 0 1 FEAF COC(=O)c1ccccc1OCC(=O)Nc1cc(NC(C)=O)ccc1OC 7096988 WOXOHUHKJVIHLD-UHFFFAOYSA-N 372.377 2.458 0 1 FEAF biogenic NC1=N[C@@](c2ccncc2)(c2cccc(-c3cncnc3)c2)C2=NCCCN12 73312496 RFVHMPZACZMQHT-NRFANRHFSA-N 369.432 2.215 0 1 FEAF CNC(=O)c1ccc(-c2ccc3nnc(Cc4ccc(O)cc4)n3n2)cc1 40430686 RLSBXOCXRAXJST-UHFFFAOYSA-N 359.389 2.447 0 1 FEAF C[C@@H](NC(=O)[C@@H](N)CO)P(=O)(Oc1ccccc1)Oc1ccccc1 96167885 ROSNBLMXPLOYOW-BBRMVZONSA-N 364.338 2.119 0 1 FEAF O=C1[C@@H](Cc2ccc(F)cc2)CCn2cc(nn2)COC[C@H]2CCCN12 95661046 NEAJPGNHIYPSEK-CRAIPNDOSA-N 358.417 2.187 0 1 FEAF CC[C@H]1CN(C(=O)NC(C)C)CC[C@@H]1CC(=O)NCCN1CCCC1 25434073 MCOYRWQGQFUUFZ-DLBZAZTESA-N 352.523 2.055 0 1 FEAF biogenic COc1cc(C[C@@H]2C(=O)O[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O 86048193 BTXZSJTULWTSJG-KSMMKXTCSA-N 374.389 2.180 0 1 FEAF biogenic O=C(Cc1ccc(Br)cc1)[C@@H]1Cc2cncn2C(=S)N1 299820784 DRLFXBNFHAENSJ-LBPRGKRZSA-N 350.241 2.105 0 1 FEAF COC(=O)c1cc2[nH]c(-c3cccc(S(C)(=O)=O)c3)nc2cc1OC 586926298 NOIWQNSYMZAXRI-UHFFFAOYSA-N 360.391 2.429 0 1 FEAF CCOC(=O)Cn1cc([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)nn1 963114460 TUDSMYDURCCVJK-IFXJQAMLSA-N 358.417 2.264 0 1 FEAF COc1cc([C@@H]2NCCc3ccc(O)cc32)cc(Cl)c1OCC(N)=O 963331111 XCGYFRQEDZGGRZ-KRWDZBQOSA-N 362.813 2.153 0 1 FEAF O=C1N[C@@H](c2cccnc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 11859143 SMLKJICDHLUSRA-UHIISALHSA-N 371.340 2.247 0 1 FEAF CC[C@@H](CC1CCCCC1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O 13780042 AQRGYVZHOSSLOY-WNRNVDISSA-N 352.475 2.367 0 1 FEAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)NCC[C@]314 13729838 QWKWAYNQLADTEK-YPVJZLTNSA-N 360.413 2.450 0 1 FEAF CCN1CCC[C@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)C1 169320494 BINQIJHLGNUKBW-CABCVRRESA-N 358.438 2.475 0 1 FEAF O=C(NC[C@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccsc1 775435 OQENSKCAWKCKGB-NSHDSACASA-N 362.382 2.292 0 1 FEAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)cc1 4049213 AKFGUWYEEONLBK-HKUYNNGSSA-N 354.406 2.286 0 1 FEAF O=C1NC(=O)C(c2c3n(c4ccccc24)C[C@@H](CO)C3)=C1Nc1ccccc1 103203075 JEYIVUACXGJPOA-ZDUSSCGKSA-N 373.412 2.286 0 1 FEAF Cc1nc(C(=O)Nc2cccc([C@]3(C(F)F)COCC(N)=N3)c2)c(C)o1 113660754 NSPDTJIIXCMMAO-KRWDZBQOSA-N 364.352 2.392 0 1 FEAF CCN1CCN(c2ncc3c(n2)CCN(Cc2ccccc2C)C3)CC1 21262357 ZFPILVHQSOJYIE-UHFFFAOYSA-N 351.498 2.485 0 1 FEAF O=C(CCOc1no[n+]([O-])c1-c1ccccc1)Oc1ccccc1C(=O)O 72118114 HHLQIMHQHPLPHW-UHFFFAOYSA-N 370.317 2.048 0 1 FEAF C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@H]2[C@H]2C=C[C@]1(O)C(=O)O2 40421720 KVIOMDMYQSLLQA-AAMISZCHSA-N 356.374 2.453 0 1 FEAF CN1CCN(c2ccc3nc(-c4cccc(NC(N)=O)c4)[nH]c3c2)CC1 587242655 XBDUZKANCADZAR-UHFFFAOYSA-N 350.426 2.472 0 1 FEAF C[C@@](O)(CNS(C)(=O)=O)Cn1c2ccc(F)cc2c2cc(F)ccc21 148402634 ALBXMCVSJWRWLL-QGZVFWFLSA-N 368.405 2.373 0 1 FEAF CC[C@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)NCCN1CCCC1 5412863 YMPQJVLWFWDGQC-ROUUACIJSA-N 372.513 2.172 0 1 FEAF biogenic Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC(=O)N(CCc3ccccc3)C2)n1 12430689 LHALWYGZHNJCRP-QGZVFWFLSA-N 354.454 2.158 0 3 FEAF O=C(CN1CCOC1=O)NCc1cccnc1Oc1ccc(F)c(F)c1 12449505 WDQFVSNJUVWZNS-UHFFFAOYSA-N 363.320 2.221 0 1 FEAF C[C@H](CO)CCc1c(O)cc(O)c2c1OC[C@@H](c1ccc(O)cc1O)C2=O 14762891 AHXHRRAHHBWGJJ-HZMBPMFUSA-N 374.389 2.429 0 1 FEAF endogenous,in-man C[C@H]1[C@H](N)CN1c1cc2c(cc1F)c(=O)c1c(O)nsc1n2C1CC1 597541 JWPUZQNFSLTWFP-WRWORJQWSA-N 360.414 2.327 0 1 FEAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)NCCC(C)C 8604795 TZNCOPGYTJEKNE-UHFFFAOYSA-N 358.364 2.225 0 1 FEAF O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](CO)C2 58487387 CDRQZZJANOQFIF-RSAASHCRSA-N 367.858 2.122 0 1 FEAF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(CO)cc1 29474347 SXTLMSKAMPKXQZ-UHFFFAOYSA-N 351.332 2.452 0 1 FEAF O=C(Nc1ccc(N2CCOCC2)nc1)c1nnc(Nc2ccccc2)o1 38279066 RSFJMISTKPRTLU-UHFFFAOYSA-N 366.381 2.297 0 1 FEAF C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCc1ccccc1N 82082984 LNNIQKWAOAXAMP-NSHDSACASA-N 370.434 2.420 0 1 FEAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cncnc2)n1 84708993 BNYVVLJMRJTMFO-UHFFFAOYSA-N 366.450 2.262 0 1 FEAF O=C(OC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)N1CC[C@@H](c2cc[n+]([O-])cc2)C1 147453208 QYJRVXOBMULXMW-JZTYUXCJSA-N 358.438 2.186 0 1 FEAF CNC[C@@H]1Oc2ncc(C3=CCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95701458 DEJJSLUDOQSOIG-IYOUNJFTSA-N 359.470 2.088 0 1 FEAF COCCNC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1c1nc(C)c(C)s1 95895655 NSJFKVMJXCPAFV-RCCFBDPRSA-N 361.511 2.329 0 1 FEAF O=C(O)CCc1nc(SCC(=O)Nc2nc3ccccc3s2)n[nH]1 473112991 FDFUEGKIRDYCJV-UHFFFAOYSA-N 363.424 2.162 0 1 FEAF COc1cccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 587134002 HDJNPBBHUVHVBW-UHFFFAOYSA-N 371.340 2.467 0 1 FEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Nc1cccc2ncccc12 169299749 BOLBRZWHNIBFRJ-KNIYKHKLSA-N 373.412 2.226 0 1 FEAF N#CN1CCC[C@](F)(C(=O)Nc2ncc(-c3cccc4c[nH]nc34)cn2)C1 1857550521 DHIQXPPRUNBUGF-GOSISDBHSA-N 365.372 2.244 0 1 FEAF O=C(OCCCN1CCN(c2ncccn2)CC1)[C@]12C[C@H]3C[C@@H](C[C@@H]1C3)C2 1857597607 KFYRIMHNAXFUER-NTLWEQJWSA-N 370.497 2.358 0 1 FEAF Cn1ncc2c(NS(=O)(=O)c3cccc(Cl)c3Cl)ncnc21 1257196126 LGBRUKKRAJVNMV-UHFFFAOYSA-N 358.210 2.471 0 1 FEAF CCCOCCCN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2115284 BHNBFUSMTCKEQF-OAQYLSRUSA-N 369.465 2.427 0 1 FEAF biogenic CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@@H](O)C3=C(C)C(=O)OC3=C[C@@]12O 2356393395 JEYGGYOYAPLJFZ-ZAWVUUPBSA-N 362.422 2.163 0 1 FEAF CNc1ccc(C(C)(C)C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](C(N)=O)(C4)C3)cn1 100075718 TUJYKUDQFPOWHV-XJKSLMGZSA-N 370.497 2.197 0 1 FEAF CNc1nc2ccn(C)c(=O)c([C@H](O)c3cc(C)c(OC)c(C)c3)c-2n1 64447771 LZOYXAXLODWQSL-MRXNPFEDSA-N 354.410 2.029 0 1 FEAF CN(C)CCN1C(=O)c2cccc3c(NCCCCO)ccc(c23)C1=O 73239963 MHSMMJUUDJWQME-UHFFFAOYSA-N 355.438 2.182 0 1 FEAF CCCCSc1nc(N)c2[nH]c(=O)c(=O)n(Cc3ccccc3)c2n1 40866326 QRSFJFCWTGHZCD-UHFFFAOYSA-N 357.439 2.003 0 1 FEAF O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 95794384 QRFKRUIRGRQJJP-VQTJNVASSA-N 363.461 2.147 0 1 FEAF Cc1ccc(C(=O)Nc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1 473132396 RNRLRMJKTNTWDD-UHFFFAOYSA-N 364.405 2.092 0 1 FEAF Nc1ccnc2[nH]c([C@@H](N)CCCNC(=O)OCc3ccccc3)nc12 587260170 UEECBBXSLABKNV-AWEZNQCLSA-N 354.414 2.247 0 1 FEAF O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586889646 MJDFAQLPNFRHMC-KGLIPLIRSA-N 355.375 2.319 0 1 FEAF CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3[C@@H](C2)C1 587559303 XCCPSAQEIQXAIY-ZJUUUORDSA-N 358.398 2.333 0 1 FEAF CNc1nccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587741571 HTBKJDVTQGGRIN-RMLUDKJBSA-N 351.223 3.044 0 1 FEAF O=C(NO)c1ccc(Cn2c3c(c4ccccc42)CS(=O)(=O)CC3)cc1 206041324 JTWSNIOCMRULQH-UHFFFAOYSA-N 370.430 2.280 0 1 FEAF COCC[C@H]1[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 13522323 VNPGFSWKZRZJCI-PZXGUROGSA-N 354.450 2.492 0 1 FEAF in-vivo COc1ccccc1N1CCN(CCNC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)CC1 13741010 MKNWWWHCPYCIKA-KSZLIROESA-N 357.498 2.370 0 1 FEAF Oc1cc(-n2cccn2)ccc1-c1ccc(O[C@H]2CCNCC2(F)F)nn1 1857766167 FJJWYYDKYYXUFG-INIZCTEOSA-N 373.363 2.411 0 1 FEAF COc1cc(OC)c2c(c1)OC(CN1CCCC1)(CN1CCCC1)C2=O 53243832 QEUPMUKENQOQSF-UHFFFAOYSA-N 360.454 2.209 0 1 FEAF CCN1C(=O)C(=C(O)C[C@@H]2NCCc3ccccc32)C(=O)N(CC)C1=S 102676643 AAOKNWAIIJNJIM-AWEZNQCLSA-N 373.478 2.071 0 3 FEAF CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(Cc3cncc4ccccc34)nc21 28882145 ILQLNJQDQVVPGS-UHFFFAOYSA-N 363.421 2.218 0 1 FEAF Cc1nc([C@H]2CCCN(C(=O)c3cc(-c4ccc(C)o4)n[nH]3)C2)cc(=O)[nH]1 23337861 VLAGCMGLLMSQKC-ZDUSSCGKSA-N 367.409 2.390 0 1 FEAF Cc1nccc(C[C@@H]2[C@H](NCc3ccccc3Cl)C[C@H](O)[C@H]2CO)n1 2356567187 LQCPUPMGJALTKE-DKKFBQAASA-N 361.873 2.129 0 1 FEAF COc1ccc(CNCCCN(C)c2nc(-n3ccnc3)ns2)cc1 35950270 IPAFVGMSAVVXAZ-UHFFFAOYSA-N 358.471 2.349 0 1 FEAF COc1cc([C@H]2OC[C@]3(O)[C@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O 146257485 CICMVLOHBZPXIT-NWTFUFRBSA-N 374.389 2.305 0 1 FEAF O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(S)o1 95593864 UNEOPHOCJOVLGI-UHFFFAOYSA-N 366.402 2.354 0 1 FEAF COc1cc2c(cc1O)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2 299859185 FJIUUKUFIREQFM-UHFFFAOYSA-N 372.377 2.216 0 1 FEAF Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccccc1 299837942 SWEQWYFWMUNIGV-UHFFFAOYSA-N 360.373 2.364 0 1 FEAF CCOC(=O)[C@]1(c2cnn(CC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431229 JCVNMIOMUWHTOZ-AUUYWEPGSA-N 356.378 2.118 0 1 FEAF O=C(O)CC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603564 NODHVXAVFDRQEL-KSSFIOAISA-N 358.302 2.042 0 1 FEAF Cc1csc([C@](O)(Cc2nc3cccc(C(N)=O)c3[nH]2)C(F)(F)F)n1 587094239 NQCPNIRQUQWXNA-CQSZACIVSA-N 370.356 2.419 0 1 FEAF CCOC(=O)[C@H]1CN(CC)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517281 KJCHLQUWFNVVLI-IERDGZPVSA-N 371.433 2.311 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1cc(C(=O)O)nn1)(C(C)(C)C)O2 587392408 TWCCAPUJTLYAIV-SFHVURJKSA-N 358.398 2.317 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 587154833 SIEWCKVRXBKQJC-UGSOOPFHSA-N 374.441 2.294 0 1 FEAF Cc1ncc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c(N)n1 587924404 WWXKFIKZKHMYNH-UHFFFAOYSA-N 361.452 2.529 0 1 FEAF O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21 169290856 NLRDWJJCYOHFLS-FMTANCSMSA-N 361.401 2.120 0 1 FEAF CCC(=O)OC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC)C(C)C 2356326741 YYPQWZQXPTVJCT-DNVCBOLYSA-N 359.470 2.392 0 1 FEAF COc1ccc2c(c1)CN(C(=O)C1CCOCC1)CC[C@@H]1COC(=O)N21 2356295436 VOJQSMZCPHBURV-OAHLLOKOSA-N 360.410 2.179 0 1 FEAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccs1 2356298446 CVKVIGHCPLGABW-ARFHVFGLSA-N 371.572 2.079 0 1 FEAF OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)C[C@@H]1O 26571759 QHUNSJYFZSECMJ-OBJOEFQTSA-N 352.822 2.080 0 1 FEAF CN(CCNCCCn1nc2ccccn2c1=O)c1cccc(Cl)c1 27086162 JHRGBWKUHXNWKQ-UHFFFAOYSA-N 359.861 2.266 0 1 FEAF O=C1COC2(CCN(C[C@H](O)c3ccccc3)CC2)[C@H](c2ccccc2)N1 27982798 POAMEVTUHXXPLS-FPOVZHCZSA-N 366.461 2.442 0 1 FEAF NC(=S)N1N=C(c2c(O)c3ccccc3oc2=O)C[C@@H]1c1cccnc1 49068684 QZOMHTZNTJPQPS-CYBMUJFWSA-N 366.402 2.288 0 1 FEAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)CO 82209277 JJIBTNFXXNRHAW-LEFMRRBJSA-N 366.502 2.016 0 1 FEAF COC[C@@H](NC(C)=O)C(=O)NCc1ccc(NCc2cccc(F)c2)cc1 49113612 MYBBKXWVBGKPJQ-LJQANCHMSA-N 373.428 2.205 0 1 FEAF O=C(NCCO)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 141402711 WEOUFLRWRPXKDX-UHFFFAOYSA-N 357.341 2.177 0 1 FEAF C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]21C 255219233 ICLJUDISOCRJDM-HHDQNTOOSA-N 352.515 2.473 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(C)c2)CC1 618020266 UGGFDNBFGDTUEG-UHFFFAOYSA-N 364.389 2.485 0 1 FEAF Nc1ncc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)cn1 587255024 VLAHFSOWMBBAOE-UHFFFAOYSA-N 358.361 2.600 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c12 587119013 VSOZMCXGTHMQCG-UHFFFAOYSA-N 373.360 2.233 0 1 FEAF COC(=O)CC(CC(=O)OC)(C(C)=O)c1cc2c3c(cccc3n1)CC2 587212548 BIUIXSWPQKLKJA-UHFFFAOYSA-N 355.390 2.286 0 1 FEAF COC(=O)c1cc(OC)n(-c2nc(N3CCCCC3)ncc2F)c1OC 587944308 DWUABLLTSAVDNI-UHFFFAOYSA-N 364.377 2.201 0 1 FEAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cnc(Cl)[nH]c-3n2)s1 587023825 JOFMOLQBXAZNOF-UHFFFAOYSA-N 367.822 2.747 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)n(C)c(=O)n4C)[C@@H](C2)C3=O 587436423 QLLHOOFRDVTBTO-DJJJIMSYSA-N 350.374 2.374 0 1 FEAF Oc1ncc([C@@H]2CCC[C@@]3(C2)NCCc2nc4ccccn4c23)c(O)n1 962989342 ZSRAZQGFLNFMPH-BLVKFPJESA-N 351.410 2.234 0 1 FEAF Cc1cc2c(cc1O)[C@H](c1cccc(OCCC(=O)O)c1)N[C@H](C(=O)O)C2 963488879 GJOZNSCKMJPLGU-LPHOPBHVSA-N 371.389 2.242 0 1 FEAF O[C@H]1C[C@@]2(n3cnc4c(NC5CCCCC5)nc(Cl)nc43)C[C@H]2[C@H]1O 1772587256 FBEAKVULROEXMT-ORMQQPANSA-N 363.849 2.065 0 1 FEAF Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1Cl 169299399 QDSLCHJCYYXTEW-RBCQSRQPSA-N 363.797 2.328 0 1 FEAF COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(OC)ccc(OC)c32)cc1 205723014 FYMRVVQYPVXIDA-LJQANCHMSA-N 357.362 2.125 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(N(C)C)CC3)cc21 28766463 MFHHIVDRXGMGTJ-UHFFFAOYSA-N 361.417 2.389 0 1 FEAF CCNC(=O)NC[C@@H]1C=C(C)[C@@H](CC(=O)NCCOC)C[C@H]1C(C)C 2356304388 DJINKBMUFDHASD-IKGGRYGDSA-N 353.507 2.313 0 1 FEAF COc1cc(C[C@@H]2COC[C@]2(O)Cc2ccc(O)c(OC)c2)ccc1O 2356557743 ZYPCXCQCIVYBNM-FOIQADDNSA-N 360.406 2.278 0 1 FEAF N[C@H]1CN(c2cnc3nccnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F 28707347 VQXQTZDDHVPBQB-OTYXRUKQSA-N 360.343 2.158 0 1 FEAF O=C1CN(C(=O)CSc2ncnc3c(C4CC4)c(Cl)sc23)CN1 1911580629 UDCRACJXCRXUNB-UHFFFAOYSA-N 368.871 2.230 0 1 FEAF COc1ccc(CCn2nnn[n+]2C2(c3ccc(C)c(C)c3)CC2)cc1 38149898 WZWGKRKSIFPYSC-UHFFFAOYSA-N 350.446 2.366 0 1 FEAF CO[C@@]12CC[C@]3(C)[C@H](CC[C@@]45C[C@@H](CC[C@H]43)[C@@](O)(CO)C5)C1=CC(=O)N2 138041558 KTNZRKKLKVMLHB-XOVQUKCCSA-N 361.482 2.125 0 1 FEAF CCOC(=O)[C@@H](C)NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 40846595 WTFXAXCWSNQSAP-UKRRQHHQSA-N 354.406 2.274 0 1 FEAF CCOC(=O)CCc1c(C)oc2cc(OC)c(OS(=O)(=O)O)cc12 43076115 DKLTWPRAQQJGRO-UHFFFAOYSA-N 358.368 2.427 0 1 FEAF COc1cc(C[C@@H](C)[C@@H](C)C[C@@]2([C@H](O)C(C)=O)C=CC(=O)O2)ccc1O 238768486 JGRCQBGEMXBGIJ-YGSBFXFZSA-N 362.422 2.407 0 1 FEAF CNc1ccccc1C(=O)O[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]53)[C@@H]1[C@@H]6[C@]41OCCCN12 253670956 DEVSVQLQYSWGQG-CWISYNBXSA-N 364.445 2.401 0 1 FEAF COC(=O)[C@@H]1COC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587836657 XAQVITBTRRAQGE-PEGZWESCSA-N 358.207 2.137 0 1 FEAF NS(=O)(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587075793 KLKROKOXZCMRHI-UHFFFAOYSA-N 374.813 2.111 0 1 FEAF CCOC(=O)CC[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444312 YYWFGNPUDOCVMQ-BFUOFWGJSA-N 362.378 2.088 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1ccnc(N4CCOCC4)c1)[C@@H](C2)C3=O 587444851 RDHYOCWOSATCTB-MGPUTAFESA-N 352.390 2.416 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(Cc3ccccc3)C[C@H]1C(=O)O)O2 587393384 HLXLEHXNQOPKTB-KKSFZXQISA-N 366.417 2.498 0 1 FEAF O=C(Cc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12)Oc1ccccc1 13492643 JWMYOPWUWOFTJX-UHFFFAOYSA-N 354.753 2.317 0 1 FEAF CC(C)C[C@H](NC(=O)c1ccc(NC2CC2)c(OCC2CC2)n1)C(N)=O 207732729 HUYCJLKJNDUROA-INIZCTEOSA-N 360.458 2.075 0 1 FEAF N#CN1CC[C@H](NC(=O)c2ccc(N3CCC[C@@H]3c3cccnc3)nc2)C1 1857617379 MTJXHXNNDCGFDT-ZWKOTPCHSA-N 362.437 2.103 0 1 FEAF Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3824282 BNDYLFXLDDCBDO-WCQYABFASA-N 373.428 2.496 0 1 FEAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCOCCO 4213623 BWTXJVUGVUDTEA-DLBZAZTESA-N 352.431 2.419 0 1 FEAF CC=C1CN2CC[C@@]34c5ccccc5N[C@@]23CC[C@H]1[C@@]4(CO)C(=O)OC 2356739090 ZUOSKQRUXOLOBC-DVMWJLJYSA-N 354.450 2.274 0 1 FEAF CC1(C)NC(=O)N(C[C@@H](O)COc2cccc(-c3ccccc3)c2)C1=O 66074338 LDSJBJGFIZNAJF-MRXNPFEDSA-N 354.406 2.424 0 1 FEAF CCOC(=O)c1csc(NC(=O)CN2CCN(c3ccccc3)CC2)n1 31901475 OSKXSVCZACBSQU-UHFFFAOYSA-N 374.466 2.081 0 1 FEAF O=C1N[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc2c(c1)CCCN2 72178468 SRBYXUMXRBXLEA-KRWDZBQOSA-N 357.435 2.500 0 1 FEAF COc1ccc(N/C(=C/[N+](=O)[O-])NCCCn2cncc2C)cc1OC 139876348 XGSCKLKAQKSJDK-GZTJUZNOSA-N 361.402 2.376 0 1 FEAF CCn1cc(Br)c(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)n1 586999645 DPBMTSMFWCTJMP-UHFFFAOYSA-N 373.218 2.108 0 1 FEAF CC(=O)Nc1ccc2nc(O)n(C3CCN(C(C)(C)C)CC3)c(=O)c2c1 1857548144 RRXZTCOSELZWLB-UHFFFAOYSA-N 358.442 2.496 0 1 FEAF CS(=O)(=O)c1n[nH]c(-c2cccc3nc(-c4ccccc4)cnc23)n1 1857751261 FZJIBPNXNPMTPC-UHFFFAOYSA-N 351.391 2.485 0 1 FEAF CN1C(=O)[C@H]2C[C@@H](CN2C(=O)c2ccccc2C(=O)O)Oc2ccccc21 2356385437 YSCZXHGNHYHIMD-BLLLJJGKSA-N 366.373 2.023 0 1 FEAF COc1cccc([C@H](CN(C)C)Nc2ncnc3c(C(N)=O)cccc23)c1 114347219 ALLGNFRRMBCRHD-KRWDZBQOSA-N 365.437 2.452 0 1 FEAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCc1ccco1 2356654580 CUYTYCCTIUBSRB-GVDBMIGSSA-N 364.559 2.296 0 1 FEAF O=C(O)[C@H](Cc1ccc2c(c1)OCO2)[C@H](CO)Cc1ccc2c(c1)OCO2 2356677087 GQXLKZICLHKEQT-LSDHHAIUSA-N 372.373 2.239 0 1 FEAF O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H](NCc3ccccc3)CO[C@H]12 6131146 FJJIPCHZPGCRMJ-WJFTUGDTSA-N 360.454 2.370 0 1 FEAF biogenic CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(Cl)c21 1911575095 JECVRHKBOILJLN-UHFFFAOYSA-N 367.808 2.264 0 1 FEAF CCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)c(F)c1 49088852 SMCAMLBVPBWGKN-INIZCTEOSA-N 363.366 2.290 0 1 FEAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OC[C@H]2CCCN2C)co1 82070842 AOGWJYJHTPXHNZ-LSDHHAIUSA-N 371.437 2.406 0 1 FEAF C[C@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccncc3)c(=O)n21 82211329 ICIBFSOMMFKQFL-LBPRGKRZSA-N 369.450 2.113 0 1 FEAF Cn1cc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)cn1 221077257 PLVINOPYHPWDGC-UHFFFAOYSA-N 361.409 2.257 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c12 587245347 WDTSVTICMUQJNF-VAWYXSNFSA-N 370.434 2.465 0 1 FEAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cnnc(O)c3[nH]2)cc1 587040241 MBEWJXJEZUMUHJ-CYBMUJFWSA-N 371.422 2.345 0 1 FEAF Cc1nc(C)c(/C=C/C(=O)N2CCC=C(Br)C2=O)nc1C 1772635716 QDSGKXLBOWDWHE-VOTSOKGWSA-N 350.216 2.453 0 1 FEAF CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nc(S(C)(=O)=O)n2)c1 1772643496 YZEHQPBQVRGHKU-UHFFFAOYSA-N 373.356 2.268 0 1 FEAF CC(C)c1ccc2c(c1)C(=O)c1ccc(-c3nnn(C)n3)cc1S2(=O)=O 13755836 FESFCJOSOSYSSP-UHFFFAOYSA-N 368.418 2.378 0 1 FEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cnc2ccccc2c1 169293735 ZJEUUDOBFLQKBE-DQTZRQEHSA-N 373.412 2.226 0 1 FEAF O=S(=O)(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1 28478072 NSOKBCKOYCCTBO-RTBURBONSA-N 357.479 2.065 0 1 FEAF Cn1ccnc1CN1CC[C@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 2356605049 QCNWFZFUUPDGMP-ZJOUEHCJSA-N 368.481 2.013 0 1 FEAF C[C@H]1O[C@@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@@H](O)C[C@@H]1O 61944999 XIOVVYUXTAJUCE-ZEISQMFMSA-N 364.438 2.285 0 1 FEAF O=C(O)CCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 139459449 PFTHBFLBXZTMHI-UHFFFAOYSA-N 373.384 2.182 0 1 FEAF CN(C)C(C)(C)COC(=O)CNC(=O)c1csc(-c2ccccc2)n1 82072227 YPJSDPXBWLNKSH-UHFFFAOYSA-N 361.467 2.423 0 1 FEAF CC(C)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2 82213034 GHRAJZWNNXLUME-HZPDHXFCSA-N 369.469 2.430 0 1 FEAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NC[C@H]1CCCO1 82203335 JLNGLXXJNDHJGQ-MRXNPFEDSA-N 354.458 2.098 0 1 FEAF CN(CC(=O)OC[C@H]1CCCN1C)C(=O)c1coc(-c2cccs2)n1 82085821 MSQJDEKYHMEVAY-GFCCVEGCSA-N 363.439 2.113 0 1 FEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(CC2CC2)C1 95867631 PFNDYBSFPBFGAZ-SFHVURJKSA-N 355.482 2.129 0 1 FEAF COc1cc2c3c(c1)O[C@]1(C(C(=O)O)=NN(C)c4ccccc41)[C@@H](C2)C3=O 587437264 YXYSNOPKKVHQKH-RBZFPXEDSA-N 364.357 2.229 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCCC(N)=O)[C@@H](C2)C3=O 587427420 CUMHEOTWUHXALG-XOBRGWDASA-N 353.374 2.438 0 1 FEAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccnc(N)c4[nH]3)cc12 587037996 OQBOMALRCIQSMY-QMMMGPOBSA-N 355.427 2.288 0 1 FEAF COc1ccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2n1 586941875 XVDPJEWQMZZDCJ-KTKRTIGZSA-N 358.423 2.365 0 1 FEAF CN1C(=O)C[C@@H]2CN[C@H](c3cnc(N4CCOCC4)s3)c3cccc1c32 963034989 VZNRLBNEWJZGCX-XIKOKIGWSA-N 370.478 2.122 0 1 FEAF Cn1c(=O)c2c(nc(/C=C/c3cccc(C(F)(F)F)c3)n2C)n(C)c1=O 13826941 HLLDMHFNBJJFDH-BQYQJAHWSA-N 364.327 2.160 0 1 FEAF O=C1CC[C@H]2[C@@H](O)c3cc4c(cc3[C@@H](c3ccc5c(c3)OCO5)N12)OCO4 169290575 JOCDYUMUWHCJQD-SVIJTADQSA-N 367.357 2.271 0 1 FEAF C[C@@H]1CC[C@]2(O)[C@H](C[C@H](O)C2(C)C)C(=O)[C@]1(C)CCC1=CC(=O)OC1 169348824 XDKFKXXCPUQUEE-DBSYTYAISA-N 350.455 2.393 0 1 FEAF O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccccn1 203474874 VWHMETCACPXFRC-USJZOSNVSA-N 353.422 2.388 0 3 FEAF CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C)cc1 101816480 FSKYBLYVPPNARE-RVAQLADHSA-N 355.394 2.046 0 1 FEAF COc1cc2c(cn1)OC[C@@]21C(=O)N(C[C@@H]2CCCO2)c2ccccc21 103177726 ZPBJZVCHEDJNGK-RBZFPXEDSA-N 352.390 2.294 0 1 FEAF OCCS[C@H]1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1O 95911201 VKKARASAKMNKCK-ULQDDVLXSA-N 350.392 2.065 0 1 FEAF biogenic,in-vitro COc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)c(OC)c1 1857548559 YWEBCQWTOPUQHE-UHFFFAOYSA-N 363.377 2.147 0 1 FEAF O[C@H]1[C@@H](NCc2cccc(C(F)(F)F)c2)[C@@H](c2cccnc2)C[C@H]1O 2356344346 GNMIALIRLDMPRE-WCXIOVBPSA-N 352.356 2.468 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)Nc1ccc(F)c(F)c1 4564672 CUZAJCFDYBKNRT-QFBVAWSSSA-N 360.360 2.491 0 1 FEAF CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 101927866 ROEFHITVKXHEOH-RYLXDESZSA-N 355.434 2.210 0 1 FEAF CN(Cc1ccncn1)C(=O)C1(Oc2ccc(Cl)cc2)CCNCC1 65506773 NCTLOTJWGIWDDR-UHFFFAOYSA-N 360.845 2.290 0 1 FEAF CS(=O)(=O)N1CCCC[C@H]1c1cc(C(=O)NCc2ccccc2)no1 61926673 HQKFJKXKSPIAAO-HNNXBMFYSA-N 363.439 2.091 0 3 FEAF CC=C1CN2CC[C@@]34C(=O)[C@H]2C[C@H]1[C@]3(C(=O)OC)C=Nc1ccccc14 2356442070 NOEROADCEPGVQJ-JKMAKKBCSA-N 350.418 2.423 0 1 FEAF CCC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O 95895349 CXRQKXDLSRZGRM-ZVDOUQERSA-N 356.466 2.455 0 1 FEAF O[C@H](COc1ccn(-c2ccc(Cl)c(Cl)c2)n1)CN1CCOCC1 95556963 NMQPZCLURQSRFP-ZDUSSCGKSA-N 372.252 2.251 0 1 FEAF CC(C)[C@H](CO)Nc1cncc(Nc2nc3cncnc3n2C(C)C)n1 95597388 UJVJXKMEZMFCNM-ZDUSSCGKSA-N 356.434 2.370 0 1 FEAF COc1ccc([C@@H]2[C@H](O)CO[C@@H]2[C@H](O)c2ccc(OC)c(OC)c2)cc1 66124456 VOBMPBLQBUANQN-XLNTUCKNSA-N 360.406 2.289 0 1 FEAF biogenic CS(=O)(=O)Nc1ccccc1Cc1nc2cc3c(cc2[nH]1)OCCO3 586949204 QJFWLGPZFRLDLB-UHFFFAOYSA-N 359.407 2.296 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 586903560 QBXDNBAAMPWPPR-ZFWWWQNUSA-N 357.435 2.382 0 1 FEAF CNS(=O)(=O)c1cc(-c2nc3cc(Cl)c(OC)cc3[nH]2)n(C)c1 586947010 IDYOFVYEJGBNQG-UHFFFAOYSA-N 354.819 2.139 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc3c(cc21)OCCO3 587402615 ZYFIZIMOADAMRX-LJQANCHMSA-N 352.346 2.161 0 1 FEAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c[nH]c(=N)[nH]c-3n2)c1 587202761 HGZSDSKQPCTJCE-UHFFFAOYSA-N 353.386 2.234 0 1 FEAF O=c1ccoc2cc(OCCCN3CCN(c4cnccn4)CC3)ccc12 13860937 SLMJNKMVCYKXET-UHFFFAOYSA-N 366.421 2.174 0 1 FEAF COC1CCN(C(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 14961817 LANNRJANMZXCBC-INIZCTEOSA-N 362.445 2.244 0 3 FEAF C=CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CCNC3)cc1 1857571853 YGRSOTJMASAHPQ-UHFFFAOYSA-N 357.435 2.470 0 1 FEAF C[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 1857645073 GBVSUOGDPKMXFY-ARDBCLQASA-N 352.471 2.178 0 1 FEAF O=C(Cn1c(=O)n(C2CCCC2)c(=O)c2ccccc21)NCc1ccco1 2467777 LJZIYOWZNNPZKU-UHFFFAOYSA-N 367.405 2.188 0 1 FEAF O=C(O)CCC[C@H](O)[C@H](O)C=CC=CC=CC=C[C@@H](O)CCCCCO 2356343137 JGHYLPPTOXKEKH-QRVBRYPASA-N 368.470 2.102 0 1 FEAF C[C@]12C(=O)OC[C@H](c3ccccc3)N1C(=O)N(Cc1ccccc1)[C@@H]2CO 6442449 YUDCZMRBZQLQPY-OPYAIIAOSA-N 366.417 2.342 0 1 FEAF CN1CCN(C2=Nc3cc(C(F)(F)F)ccc3Nc3nn(C)nc32)CC1 26404971 IKFULDMFCGUCGI-UHFFFAOYSA-N 365.363 2.217 0 1 FEAF CCN1CCC[C@@H]1CNC(=O)c1cc(Br)cc(O)c1OC 26385144 UVEHPRQRFSJENI-LLVKDONJSA-N 357.248 2.377 0 1 FEAF S=C(NCc1ccco1)NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCCC1 2356528024 RXUYUMJIJXCVCX-ZACQAIPSSA-N 362.543 2.050 0 1 FEAF COc1ccccc1CNc1nc(N2CCC[C@H](C(N)=O)C2)ncc1C 82203772 UZYXHWATBVJGLH-HNNXBMFYSA-N 355.442 2.107 0 1 FEAF O=C1OCC2=C1[C@H](c1ccccc1)c1cc3c(cc1N2CCO)OCCO3 198347818 CXXCBXYIACNDLN-LJQANCHMSA-N 365.385 2.213 0 1 FEAF CCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](C(C)C)N2 82224206 ZOCJYJHPHWQHJM-CQSZACIVSA-N 356.426 2.122 0 1 FEAF CC(C)S(=O)(=O)N1Cc2ccc(Br)cc2-n2nncc2C1 199735999 YUZFLZHFBDKMKN-UHFFFAOYSA-N 371.260 2.084 0 3 FEAF CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)NC1CCCC1)C2 95794577 UDUBVGLVALRKJF-MJGOQNOKSA-N 371.481 2.090 0 1 FEAF CC(=O)Nc1ccc2c3c(n(CCCN)c(=O)c2c1)-c1ccccc1[C@@H]3O 95553301 IPZVPGLOKKFFFS-FQEVSTJZSA-N 363.417 2.371 0 1 FEAF CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)[C@@H]4C[C@@H]5OC(=O)C=C1[C@]5(C)[C@H]2[C@@]43C 257604081 WKNPIBKVHHVICI-AAUXZSLHSA-N 360.406 2.029 0 1 FEAF endogenous,in-man Cc1c(-c2cc(=O)n3nc(N)c(-c4ccccn4)c3[nH]2)ccc2c1OCO2 653663953 AUSZYDODKVADRX-UHFFFAOYSA-N 361.361 2.371 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OC(=O)C2)N1 587828860 ANHFESZZEOBBPY-KWKYVRJSSA-N 370.174 2.233 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1cccc(O[C@H](C)C(N)=O)c1)[C@@H](C2)C3=O 587433332 QSISAEZDGRABFF-XAILHKCVSA-N 353.374 2.437 0 1 FEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3nc(O)[nH]c3cc2[nH]1 587223763 FVJPIGTYDNCFMJ-JTQLQIEISA-N 351.366 2.229 0 1 FEAF CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3O)nc2n(CCC)c1=O 13473638 RQAXETYXJICKOZ-UHFFFAOYSA-N 358.398 2.088 0 1 FEAF NCCS(=O)(=O)c1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O 13535996 PIGVRBXVSCGJKI-UHFFFAOYSA-N 359.382 2.272 0 1 FEAF C[C@@H](N)[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 13589977 OEGKNKDDNROINP-MNOVXSKESA-N 359.401 2.347 0 1 FEAF C[C@H]1CCCC=C[C@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)C=CC(=O)O1 253916361 ZZWKZQDOSJAGGF-ATIWLJMLSA-N 365.470 2.075 0 1 FEAF O=C(CCCNS(=O)(=O)c1cccs1)N1CCc2ccccc2C1 3894734 DYRPIKHJZQITKM-UHFFFAOYSA-N 364.492 2.392 0 3 FEAF O=C(NC[C@@H]1NCCc2ccccc21)C(=O)Nc1ccc(Cl)c(F)c1 52913620 REQBBGSBIRNOFT-INIZCTEOSA-N 361.804 2.421 0 1 FEAF CCOc1cc(C(N)=O)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12 68199768 DGUSKGFGXIHXKS-UHFFFAOYSA-N 371.422 2.340 0 1 FEAF CC(=O)c1ccc(OCCCON2C(N)=NC(N)=NC23CCCCC3)cc1 72105270 DCYDAIOJVOLHBC-UHFFFAOYSA-N 373.457 2.195 0 1 FEAF C[C@@](CN1CCOCC1)(NS(=O)(=O)c1ccccc1)c1ccccc1 33403118 UBHIXSIKGGZION-IBGZPJMESA-N 360.479 2.213 0 3 FEAF NC1=N[C@](c2ccncc2)(c2cccc(-c3cncnc3)c2)C2=NCCCN12 73312494 RFVHMPZACZMQHT-OAQYLSRUSA-N 369.432 2.215 0 1 FEAF CCOC(=O)N1CC[C@H]2[C@@H](CCCN2CCNC(=O)c2ccccc2)C1 84615464 QXOYDXLFPSDSTJ-ROUUACIJSA-N 359.470 2.359 0 1 FEAF CCc1n[nH]c2c1CN(c1ncnn3c(C)nc(C4CCOCC4)c13)CC2 230528166 NCJUUCRCQKTSML-UHFFFAOYSA-N 367.457 2.175 0 1 FEAF COc1ccccc1CCCNCCCCN1C(=O)[C@H]2CCCN2C1=O 96933533 YHZOVSWPDLPWKZ-QGZVFWFLSA-N 359.470 2.424 0 1 FEAF COC(=O)[C@]1(O)C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 238769596 BAYILHHYJWNJCS-YNWKUBOOSA-N 354.450 2.045 0 1 FEAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C(N)=O)nn1 587863258 WKZGYAARMOYHCZ-UHFFFAOYSA-N 363.299 2.456 0 1 FEAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587051961 HEHBYDUQJPOFCT-SNVBAGLBSA-N 358.785 2.495 0 1 FEAF CC(C)c1nn(C)c2c1[C@@H](c1cn(CC(=O)OC(C)(C)C)cn1)NCC2 962919164 KBSYQSFPOLAYPC-GOSISDBHSA-N 359.474 2.317 0 1 FEAF COC(=O)c1ccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)[nH]1 962971252 HINNYPWFKQEYAO-BXUZGUMPSA-N 370.739 2.421 0 1 FEAF CC[C@@H](NC(=O)Cn1nnnc1CN1CCCCCC1)c1ccc(F)cc1 12706871 WKJVOTCEOPXUHQ-QGZVFWFLSA-N 374.464 2.456 0 1 FEAF O=C(c1cc(Br)c(Br)o1)N1C[C@@H]2CNC[C@@H]2C1 169711228 UXIXSVLZTCKWCM-KNVOCYPGSA-N 364.037 2.096 0 1 FEAF CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@@H](C)N2 169719747 BOPRXVWIFLFNQD-PIHIASKNSA-N 357.458 2.105 0 1 FEAF Cc1cc(C)nc(N2CCC(C(=O)N(C)CCc3ccccn3)CC2)n1 203475245 SGRPSRCPHXVYNK-UHFFFAOYSA-N 353.470 2.406 0 3 FEAF CCN1CCC[C@H]1CNC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21 4961719 PQANPRZTFIXLHM-AWEZNQCLSA-N 368.437 2.052 0 3 FEAF CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1OCc1ccccc1 59790689 FYUXMZUFURHCOX-HETMTNPWSA-N 372.417 2.418 0 1 FEAF O=C(c1ccc2c(=O)n(-c3ccccc3)c(S)nc2c1)N1CCOCC1 103946750 GDIHCGRAWALSRZ-UHFFFAOYSA-N 367.430 2.147 0 1 FEAF C[C@H](NS(=O)(=O)c1ccccc1)c1onc(-c2cccnc2)c1C(=O)O 2356302265 PZPAHLVOMOZKSP-NSHDSACASA-N 373.390 2.474 0 1 FEAF COCC(=O)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 115651527 JIIFXIYYHVAAJI-LJQANCHMSA-N 356.809 2.486 0 1 FEAF Nc1nc(-n2ncc3ccncc32)nc(NCC2CC2)c1Br 217100343 YOUQGLAXDFCVOM-UHFFFAOYSA-N 360.219 2.377 0 1 FEAF CC(C)N1CCN(C(=O)OC2CCN(c3cc(F)ccn3)CC2)CC1 223475823 UWSVLFXLYUEJDS-UHFFFAOYSA-N 350.438 2.352 0 1 FEAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(CO)nc12 139767835 USNPJDROMQCDAO-UHFFFAOYSA-N 367.388 2.015 0 1 FEAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CC[C@H]21)[C@H](CO)C3 85932405 FQXFNQBHZJYODR-MHNWIMDWSA-N 352.471 2.034 0 1 FEAF in-man COCCc1ccc(-c2c(C)nc3c(N4CCOCC4)nccn23)nc1 141771053 VREUHSLQWXGBLA-UHFFFAOYSA-N 353.426 2.125 0 1 FEAF CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(C)=O 95895101 LKMXYQNMWFUTMA-QHAWAJNXSA-N 370.424 2.304 0 1 FEAF CC(C)c1ccc(-n2ncc(C(=O)NC[C@H]3COC(C)(C)O3)c2N)cc1 299852514 TWZFWOHQMKLGPH-HNNXBMFYSA-N 358.442 2.459 0 1 FEAF NS(=O)(=O)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 587091613 MPCDINDUYDBKOJ-UHFFFAOYSA-N 372.328 2.213 0 1 FEAF CC(C)(C)OC(=O)N1CC[C@](F)(c2ccc3c(O)nc(O)nc3n2)C1 587368684 VFKRIBIIVCLDNR-MRXNPFEDSA-N 350.350 2.242 0 1 FEAF Cn1nc(-c2nc3ccccc3[nH]2)c(I)c1C(=O)O 587180183 DOIQFKWIGPUORN-UHFFFAOYSA-N 368.134 2.266 0 1 FEAF CCOC(=O)CC[C@]1(CCC(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441662 LRJBMZJAOILFSE-YJYMSZOUSA-N 362.378 2.390 0 1 FEAF COc1ccc2nc(C(F)(F)F)nc(NN3C(=O)C=C(C)C3=O)c2c1 13587559 SKPITPXFBUQLOO-UHFFFAOYSA-N 352.272 2.299 0 1 FEAF CC(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O 13738120 XDEWIXHOHKDTAW-IBGZPJMESA-N 362.470 2.367 0 1 FEAF CC(=O)N1CCOc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@H]3C)cc21 15941886 LSKKFJPDDOOMRL-BETUJISGSA-N 352.456 2.384 0 3 FEAF O=C(/C=C/c1ccc2c(c1)OCCCO2)NS(=O)(=O)c1ccccc1 1857568921 NLOLLBMZBJZSDJ-CSKARUKUSA-N 359.403 2.366 0 1 FEAF COc1ccc(-c2ccc(C(=O)c3cc(=O)n(O)c(O)n3)cc2)cc1OC 1857612596 ILVWSEURLCBURN-UHFFFAOYSA-N 368.345 2.101 0 1 FEAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCc2ccccc2N)cc1 770243 VEVMCWFRYUCAOG-FQEVSTJZSA-N 352.438 2.392 0 1 FEAF COCCC[C@@H]1CCCN(C(=O)Cn2c(=O)c(C)nc3ccccc32)C1 20118970 DQKNRUOHXAPDEO-INIZCTEOSA-N 357.454 2.370 0 1 FEAF O=c1[nH][nH]c2nc(CN3CCN(c4ccccc4)CC3)nc3cccc1c32 59298626 AMMLPTCEPOYREC-UHFFFAOYSA-N 360.421 2.122 0 1 FEAF CCCNC(=O)[C@@]1(C)CCN(Cc2noc(-c3ccccc3OC)n2)C1 61906784 OJLIGOSHDDFQKL-IBGZPJMESA-N 358.442 2.483 0 3 FEAF CN(C)CCNC(=O)c1cccc2[nH]c(-c3cccc4c3OCO4)nc12 27897172 YGPYATBXKRSDPB-UHFFFAOYSA-N 352.394 2.250 0 1 FEAF CC(C)=CC(=O)O[C@@H]1CC=C2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@H]1C 2356744697 AYZOKQQDGDMCDQ-FKBSGABRSA-N 362.422 2.163 0 1 FEAF CS(=O)(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1 36289081 ROLRJBPCSPNHSD-UHFFFAOYSA-N 352.500 2.259 0 1 FEAF COC(=O)/C=C/c1cccc(-c2cncc(N3CCCN(C)CC3)n2)c1 40954816 PMKKQYHAIBDZPR-BQYQJAHWSA-N 352.438 2.472 0 1 FEAF COCCNC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1c1nc(C)c(C)s1 95895656 NSJFKVMJXCPAFV-BZSNNMDCSA-N 361.511 2.329 0 1 FEAF CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1C[C@H]2CC[C@H]1C2 299815558 IQHKHGHDPGFXAV-MJVIPROJSA-N 359.455 2.323 0 1 FEAF O=S(=O)(c1ncccc1-c1nc2cc(CO)ccc2[nH]1)C(F)(F)F 587127374 RQCFAJKRSJYDDP-UHFFFAOYSA-N 357.313 2.411 0 1 FEAF O=C1c2ccccc2-c2cc(CN3C(=O)COCC3=O)nc3cccc1c23 587104806 JRUQOVMKWPFCNA-UHFFFAOYSA-N 358.353 2.332 0 1 FEAF NS(=O)(=O)Cc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586930337 PSTHVRWUEPPJNO-UHFFFAOYSA-N 367.333 2.340 0 1 FEAF CCOC(=O)CCOCCCOCCc1nc2cccc(C(=O)O)c2[nH]1 587570668 XBCFKGWQEFGPIH-UHFFFAOYSA-N 364.398 2.180 0 1 FEAF CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2F)n2nnnc2N1 5607704 HPYPJRPNOGQAFC-HNNXBMFYSA-N 351.345 2.135 0 1 FEAF COc1ccc(C(=O)OCc2ccc3nc(N)nc(N)c3c2)cc1OC 5889397 PYIMSHDBFPNQOM-UHFFFAOYSA-N 354.366 2.168 0 1 FEAF CCOC(=O)CCc1c(C)nc2nc(NCc3ccccc3F)nn2c1O 15668916 PWBSQFYFRSLZCX-UHFFFAOYSA-N 373.388 2.385 0 1 FEAF O=C(NC[C@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cn1 165887629 NVNZMKRZZZRATE-CQSZACIVSA-N 366.421 2.396 0 1 FEAF CC(C)[C@H](N[C@H](c1cccnc1)c1nnnn1C1CCCCC1)C(=O)O 1857580684 CQCOVIGETAONDC-JKSUJKDBSA-N 358.446 2.362 0 1 FEAF CCOC(=O)[C@H]1[C@H](c2ccc(C)s2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 1412489 JMSMAPVNUUZKDR-BORJPKMPSA-N 368.451 2.223 0 1 FEAF C[C@@H]1N[C@H]([C@@H]2CC[C@H](CCCCC[C@H](O)CC(=O)O)[C@H](O)C2)CC[C@@H]1O 2356309819 QRBRUTOUZJIBOC-CMYNRUGDSA-N 371.518 2.051 0 1 FEAF COc1cc2c(c(O)c1CC=C(C)C[C@@H](O)C=C(C)C(=O)O)COC2=O 2356323883 FUNURVVEMQFKSS-GFCCVEGCSA-N 362.378 2.342 0 1 FEAF O=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1 4569632 NRFCWJMWYNVFJT-CQSZACIVSA-N 350.465 2.331 0 3 FEAF CN[C@H]1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1 6520874 ORHNHLHZWBMJGP-LBPRGKRZSA-N 359.401 2.121 0 1 FEAF CC(=CCCC(=CCO)CO)CCC=C(C)C[C@H](O)[C@@H](O)C(C)(C)O 2356410259 FTWKAMFFFFYMJW-RBUKOAKNSA-N 356.503 2.233 0 1 FEAF NC[C@@H]1C[C@@]1(C(=O)N1CCOc2ccccc21)c1ccc2c(c1)OCO2 29047739 RGXBRYANHNSPHQ-VBKZILBWSA-N 352.390 2.057 0 1 FEAF CC(=O)S[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc(F)cc1 27306694 BZLNEMCQBXUFCZ-KGLIPLIRSA-N 367.398 2.122 0 1 FEAF CC(C)=CC(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@]2(O)C(=O)CC[C@@H](C)[C@]12C 2356835837 KURJGUWPUHGLBX-PCCMJJQLSA-N 360.406 2.372 0 1 FEAF COC[C@@H]1CCCN1c1nc(N(C)C2CCNCC2)nc2ccsc12 1911573663 BKTDTCSVAUVYBS-AWEZNQCLSA-N 361.515 2.495 0 1 FEAF CN(C)Cc1c[nH]c2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc12 43205759 VXQJPJHEAPEQTG-UHFFFAOYSA-N 367.453 2.015 0 1 FEAF CCOC(=O)c1cnn(C[C@@H](C)O)c1NC(=O)Nc1ccc(F)cc1 40876008 ZOERPVMMWZPYGS-SNVBAGLBSA-N 350.350 2.224 0 1 FEAF CC[C@@H](O)c1c(Cn2ccnc2-c2cccc(F)n2)ncn2nc(C)nc12 140455920 CQIVCBJKDYNCEP-CQSZACIVSA-N 367.388 2.322 0 1 FEAF CC(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 248258785 LRLGDDPSXAXIHY-BRWVUGGUSA-N 373.563 2.083 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](C)O 299878198 INOVOIWPFWKELS-XGNIVQRQSA-N 366.502 2.016 0 1 FEAF COc1ccccc1C(=O)Nc1c[nH]nc1C(=O)N[C@H]1CC[C@H](OC)CC1 299819853 GCKUEWBVSJWQMM-JOCQHMNTSA-N 372.425 2.358 0 1 FEAF COc1c(-c2cc(=O)n3ncc(-c4ccccn4)c3[nH]2)ccc2c1OCO2 653631606 AHYFPPVLEHFVMA-UHFFFAOYSA-N 362.345 2.489 0 1 FEAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]3C(=O)NC)nc2c1 587235634 PFCZAGGWYMTKHM-RKDXNWHRSA-N 366.215 2.352 0 1 FEAF CC1=C(c2ccc3nc(-c4cnc(N(C)C)nc4C)[nH]c3c2)NNC(=O)C1 587196523 YXKUYHXMQASPRX-UHFFFAOYSA-N 363.425 2.150 0 1 FEAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](NC)c3cccnc3)[nH]c2c1 587224165 GDSDLZLIXGYGFJ-KRWDZBQOSA-N 373.482 2.297 0 1 FEAF CC(C)(C)OC(=O)NC1(c2nc3cc(N)c(N)cc3[nH]2)CCC(O)CC1 587237249 OEOLQCCHFBVEBX-UHFFFAOYSA-N 361.446 2.382 0 1 FEAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-n1c(=O)oc(=O)c2ccccc21 587651341 RASYHHXOIIFJFW-UHFFFAOYSA-N 370.386 2.137 0 1 FEAF COc1ccc2nc(/C=C/c3ccc(O)cc3)c(=O)n(CC(=O)O)c2c1 1772646479 AOYJTTLVPVMFBC-XBXARRHUSA-N 352.346 2.366 0 1 FEAF CCOC(=O)c1[nH]c2ccc(CC[C@@H]3COC(=O)N3)cc2c1CCN(C)C 13605906 DZFQSBDQYGMWJX-CQSZACIVSA-N 373.453 2.490 0 1 FEAF COC(=O)c1[nH]c2ccc(CCN3CCOC3=O)cc2c1CCN(C)C 13605910 QAZAOAZXWPXVPD-UHFFFAOYSA-N 359.426 2.053 0 1 FEAF COc1n[nH]c2cc(NC(=O)N[C@H]3CN(C)C[C@@H]3c3ccccc3)ncc12 209316953 YWPVXWNSOUDDQL-ZBFHGGJFSA-N 366.425 2.186 0 1 FEAF C=CC(=O)Nc1cccc(Cn2ncc3c(Nc4cnn(C)c4)ncnc32)c1 1857544421 BXALORHPMUZMFU-UHFFFAOYSA-N 374.408 2.476 0 1 FEAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@]1(O)CCC1=CC(=O)O[C@@H]1O 2356320103 GGIXZFAMVYMLGS-CTRFSNIXSA-N 364.438 2.077 0 1 FEAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)NCc1ccco1 2356654579 CUYTYCCTIUBSRB-BBWFWOEESA-N 364.559 2.296 0 1 FEAF COc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@H](OC(C)=O)C2=O 2356785982 YIQPDBDQTWRFMS-CRAIPNDOSA-N 360.318 2.060 0 1 FEAF Cc1ccc2c(NC(=O)C(=O)N=c3cc[nH]cc3)c(C(=O)C3CC3)[nH]c2c1 1911584676 HBWWRMPNIJWHTN-UHFFFAOYSA-N 362.389 2.463 0 1 FEAF Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CC[C@H](c4ccccn4)C3)cc21 40861913 UVAPNZZVCCISIM-LBPRGKRZSA-N 364.405 2.208 0 1 FEAF COc1ccc(C(=O)C[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2)cc1 96915237 GIQCYSPTOAFEDJ-ZWKOTPCHSA-N 353.418 2.473 0 1 FEAF C[C@@H]1CC[C@@]2(O)[C@@H](C[C@@H](O)C2(C)C)C(=O)[C@@]1(C)CCC1=CC(=O)OC1 473124790 XDKFKXXCPUQUEE-FJQVFWQYSA-N 350.455 2.393 0 1 FEAF CCS(=O)(=O)c1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 587249882 PGKARRRBBSTXEF-UHFFFAOYSA-N 359.407 2.228 0 1 FEAF COC(=O)C[C@@]1(C2CCC2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963226335 DSOAQWMQHNRIOU-XLIONFOSSA-N 354.406 2.392 0 1 FEAF O=C(O)Cc1nn(Cc2nnc(-c3ccccc3)o2)c(=O)c2ccccc12 13449058 OZSQTTCEBGWCKC-UHFFFAOYSA-N 362.345 2.122 0 1 FEAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cn5ccnc5)cc4)c12)CCC3 1857614113 QNNVSAGZZHQVMA-UHFFFAOYSA-N 373.420 2.157 0 1 FEAF Cn1c(CO[C@@H]2CN(C(=O)C3CCOCC3)C[C@H]2F)nc2ccccc21 2356322600 RSFRLQRFLVYNRZ-RHSMWYFYSA-N 361.417 2.065 0 1 FEAF O=C(NCc1ccc2c(c1)OCO2)c1nnc(Cc2ccc(F)cc2)o1 4928931 DOOKBBJPMKYNIH-UHFFFAOYSA-N 355.325 2.458 0 3 FEAF O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1cccc(Cl)c1 103199637 MVFZBVCFOFAWAT-AWEZNQCLSA-N 360.822 2.475 0 1 FEAF CCC1=C(O)CC(O)=C([C@@H]2NN[C@@H](C)[C@@H]2[C@@H]2N[C@@H]3CCCC[C@@H]3N2C)C1 102885274 HUFRUXGBKDWBPS-WRXIFDQISA-N 362.518 2.468 0 1 FEAF COc1ccc(N2C(=O)[C@H](O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 26162671 KEARSTRZIKHVJC-IAGOWNOFSA-N 359.378 2.170 0 1 FEAF CCO/C(O)=C1\C(COCCN)=NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1 20282534 XDYPMEAAJBBAQY-DMEQXSTQSA-N 374.437 2.453 0 1 FEAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc(NC(C)=O)cc1 2356449169 DHKTYUHDGYDOMF-ZOBUZTSGSA-N 365.499 2.044 0 1 FEAF OCCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1 36423932 QFBGUCZGHVJUGC-UHFFFAOYSA-N 365.437 2.025 0 1 FEAF in-vitro CC(=O)Oc1ccc2c3c1O[C@@H]1[C@@H](OC(C)=O)CC[C@@H]4[C@@H](C2)N(C)CC[C@]314 261141080 NCXVKLDKUADJPV-NROPHMHMSA-N 371.433 2.213 0 1 FEAF in-vitro COc1cc2c3c(c1)O[C@H](c1cccnc1N1CCOCC1)[C@@H](C2)C3=O 587440522 AXKFUUCCMUKZFV-HNAYVOBHSA-N 352.390 2.416 0 1 FEAF CNc1nccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587745949 XTVHGIXPQYVTNR-RMLUDKJBSA-N 351.223 3.044 0 1 FEAF CCOc1n[nH]c(-c2nc3ccc(C(N)=O)cc3[nH]2)c1Br 586979314 ASSCJQSOARSGPH-UHFFFAOYSA-N 350.176 2.213 0 1 FEAF COC(=O)[C@@H]1CNCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587797241 RJMCZJNDHJGVLI-RBIVETJNSA-N 371.250 2.100 0 1 FEAF COC(=O)[C@H]1C[C@@]23CCCN4C(=O)C[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 5879482 WFJBTNPOCXBGRV-FVXHZLDESA-N 352.434 2.457 0 1 FEAF CCC[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)O 13805202 SFGNRLKCFSZOSU-GJZGRUSLSA-N 350.415 2.307 0 1 FEAF CCCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 169721750 BMZLHXLXOAQVPB-UHFFFAOYSA-N 350.440 2.418 0 1 FEAF C[C@H]1[C@H](c2ccc3c(c2)OCO3)O[C@@](O)(c2ccc3c(c2)OCO3)[C@]1(C)O 206832260 USEXULCBBRQLCW-LGIAIMSESA-N 372.373 2.448 0 1 FEAF Cc1cccc(CN2C[C@@H]3C[C@H](C(=O)NCc4cccnc4)[C@H](C2)O3)c1 1857592612 MWKWBCVHCRTEBL-UFYCRDLUSA-N 351.450 2.296 0 1 FEAF C[C@H](NC(=O)Cc1ccccc1)NC(=O)[C@H](C)C(=O)Nc1ccccc1 1857278 NWUCXYJTNFIILW-LSDHHAIUSA-N 353.422 2.082 0 1 FEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C[C@H]([C@H](C)CO)[C@H]1C[C@@H]23 2356370122 XHXATGWZFXQDLS-HGFBZYJQSA-N 354.450 2.129 0 1 FEAF CC(C)CCn1nnnc1[C@H](c1ccccc1)N1CCC(C(N)=O)CC1 59946948 GNLIJWXOLAWIKS-KRWDZBQOSA-N 356.474 2.006 0 3 FEAF Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(F)c1)C1=C(O)CCCC1=N2 100703274 GFMCHXUZFIRBRE-AWEZNQCLSA-N 355.369 2.437 0 1 FEAF O[C@@H]1[C@H](NCc2ccc(Cl)c(Cl)c2)[C@H]2CO[C@@H](O2)[C@@H]1n1ccnc1 2356297730 XUWFHTIYVJOKGG-QCODTGAPSA-N 370.236 2.005 0 1 FEAF COCCNC(=O)[C@]1(C)Cc2c(-c3cccc(NC(C)=O)c3)ccnc2O1 61904071 CJXGGQQPLJIVIS-FQEVSTJZSA-N 369.421 2.163 0 3 FEAF CC=C1CN2CC[C@@]34c5ccccc5N(C)[C@@]23C(=O)C[C@H]1[C@H]4C(=O)OC 2356746335 OVWZWXBYBKIZDC-SFJXLCSZSA-N 352.434 2.114 0 1 FEAF N[C@@H]1CSCON2CCc3c([nH]c4ccc(O)c(Br)c34)[C@H]12 6091792 CWYSYORNQMPRTH-CLAHSXSESA-N 370.272 2.498 0 1 FEAF biogenic CCc1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)ccn1 34804739 INKNZABLNYYGBD-NRFANRHFSA-N 372.432 2.131 0 1 FEAF Cc1cccc(C)c1NC(=O)[C@@H]1C(=O)c2ccccc2N(C)S1(=O)=O 211167993 IXCMAJGKYNJFSJ-KRWDZBQOSA-N 358.419 2.273 0 1 FEAF COC(=O)c1nc(Sc2ccccc2C)n(COCCOC(C)=O)n1 49109720 WPWGMQLZDAQHGL-UHFFFAOYSA-N 365.411 2.062 0 1 FEAF CCc1nc(C(=O)N[C@H](C(=O)OC[C@H]2CCCN2C)C(C)C)cs1 82070366 CVFZNWFOSZDUNX-DOMZBBRYSA-N 353.488 2.097 0 1 FEAF O=S1(=O)C=CCN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 96020576 CTJBQXHGMLOKRT-UHFFFAOYSA-N 358.345 2.004 0 3 FEAF COc1cccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)cc1=O 11525222 DJMIUCKLXPTAJU-KRWDZBQOSA-N 368.389 2.184 0 1 FEAF CC[C@@]12CC[C@@H]3N(C(C)=O)c4c(O)cccc4[C@@]34CCN(CC[C@@H]1O)[C@@H]24 14850363 GLECKNNUNBFZHM-UGKANONSSA-N 356.466 2.394 0 1 FEAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C\c2ccc(C(=O)O)cc2)C(=O)O1 169345967 WKFXHRHRVROGQN-XOVNIXPASA-N 362.378 2.036 0 1 FEAF O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@@H]1CNC3 113154489 GWQQGUTVSYNRGS-LLVKDONJSA-N 357.385 2.246 0 1 FEAF CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCCN1CCCCC1 5434165 QRRRQTWIRUNTLI-ROUUACIJSA-N 366.550 2.445 0 1 FEAF biogenic CC1=C2[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@]3(C)[C@@H](CC[C@@H](O)[C@@H]3C)C[C@H]2OC1=O 13486242 MTYSOJAHTIASFA-IJCRFLFTSA-N 364.438 2.135 0 1 FEAF in-man N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(F)c1 39020704 JGZSVYZIJHGHMA-MOPGFXCFSA-N 369.440 2.003 0 1 FEAF in-vivo CCCCN1CCN(C[C@H](O)CNC(=O)Nc2ccc(Cl)cc2)CC1 45201125 NSGBCBMTKYTTQB-QGZVFWFLSA-N 368.909 2.240 0 1 FEAF Cc1cc(S(=O)(=O)c2cncnc2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100632722 WGGZUNOMTGMQMT-MLGOLLRUSA-N 368.462 2.459 0 1 FEAF CONC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccn3c2c1 113664712 ZZDUDEMXVPDTNG-UHFFFAOYSA-N 355.394 2.102 0 1 FEAF OC[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 140182563 KGOKXBZNJCYRPJ-OAHLLOKOSA-N 361.449 2.447 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCCNC4)ncc23)ccn1 205435818 BMTHXANNSCJYEN-CYBMUJFWSA-N 351.414 2.202 0 1 FEAF c1cc(N2CCNCC2)nc(-n2ncc3cnc(-c4cncs4)cc32)c1 211030576 RVBJJKHDYYRLRK-UHFFFAOYSA-N 363.450 2.349 0 1 FEAF CNc1ccccc1C(=O)O[C@@]12[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]1[C@@H]6[C@@]1(OCCCN12)[C@H]53 253670960 DEVSVQLQYSWGQG-ZJSHGDHKSA-N 364.445 2.401 0 1 FEAF NS(=O)(=O)c1c[nH]c(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1 586930419 SICUHTXTGVLWGC-UHFFFAOYSA-N 366.402 2.436 0 1 FEAF O=S(=O)(NCCc1nc2cc(F)cc(F)c2[nH]1)c1ccc(Cl)nc1 586943071 UWWJCFTYBMJRHS-UHFFFAOYSA-N 372.784 2.411 0 1 FEAF CC[C@@H](c1nc2cncnc2[nH]1)n1cc(I)c(C)n1 587185506 VETSDYNHZQCDEU-JTQLQIEISA-N 368.182 2.462 0 1 FEAF O=C(O)C[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350836 IHJWCRUJSWBXJJ-CRAIPNDOSA-N 360.293 2.188 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@@H]2[C@H]4[C@@H]3[C@H]21 587409824 URWLXFJWWMIFAM-LTXLFMDOSA-N 365.429 2.412 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1cccc(S(=O)(=O)N(C)C)c1)[C@@H](C2)C3=O 587447751 FIAQQEAFULKDRY-KXBFYZLASA-N 373.430 2.434 0 1 FEAF Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(OCCC(=O)O)cc1 587559920 PFBMDUPFPOSJIE-UHFFFAOYSA-N 355.350 2.189 0 1 FEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(CCO)c1 587583997 XXFNOLSECRKYHC-VQIMIIECSA-N 352.346 2.284 0 1 FEAF NC(=O)c1cccc2[nH]c(C(=O)N[C@H]3CCCN(C4CCCCC4)C3)nc12 1772618034 WJBPKBJEOKGJNO-ZDUSSCGKSA-N 369.469 2.189 0 1 FEAF CC(C)[C@@H](CN1C2CCC1CC2)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857635316 JIZQCQBFVLVIIR-OTGCGEFBSA-N 357.498 2.174 0 1 FEAF F[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H]1OCc1nc2cnccc2[nH]1 2356299039 SWNSGQWSJRYKRS-FZKQIMNGSA-N 370.384 2.426 0 1 FEAF O=C(C(=O)N1CCN(C(=O)c2ccoc2)CC1)c1c[nH]c2cccc(F)c12 3591240 ADBOUHIRUDAKOD-UHFFFAOYSA-N 369.352 2.067 0 1 FEAF COc1ccc(CN2C[C@@H]3CN(C(=O)C4CCCC4)CCN3C2=O)cc1 2356301839 YWBDXJCMRBTGBN-KRWDZBQOSA-N 357.454 2.334 0 1 FEAF O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(-c2cnco2)s1 114603603 ZDAAKLILNKFBOO-UHFFFAOYSA-N 374.407 2.384 0 1 FEAF COC(=O)CN1C(=O)[C@H](OC(=O)c2ccccc2)CCc2ccccc21 53242631 IYFVJJKDAXFWGY-QGZVFWFLSA-N 353.374 2.364 0 1 FEAF CO[C@@H]1CC[C@H](c2ccc([C@@H]3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O 26823388 WCRVYIZHQXJKDN-HGKSCXNLSA-N 373.449 2.464 0 1 FEAF CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccccc1 61923488 DQKNPQVVXSLBCM-INIZCTEOSA-N 369.465 2.066 0 3 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@@]2(C)[C@@H]1C 2356640689 NFAZPKOZGQLFNL-QPRFUBIKSA-N 364.438 2.243 0 1 FEAF CC=C(C)C(=O)O[C@@H]1[C@@H]2[C@H](C[C@H](C)[C@@H]3[C@H](O)CC(=O)[C@]31C)OC(=O)[C@@H]2C 2356759069 GLHMGBSDKSSHQL-CYRFYOEXSA-N 364.438 2.038 0 1 FEAF CCCCN1CCC(CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)CC1 61936185 MQKJFVMDJKLMSF-IBGZPJMESA-N 357.498 2.068 0 3 FEAF Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CC(O)C3)cc2F)cn1 224809108 PGFNGPACRPYIDM-UHFFFAOYSA-N 364.380 2.349 0 1 FEAF O=C(CNC(=O)c1csc(-c2ccccc2)n1)NCCCN1CCCC1 82072057 OSZISLQGFAAXLR-UHFFFAOYSA-N 372.494 2.142 0 1 FEAF CO[C@@H]1CCN2C(=O)c3cccc(NC(=O)Nc4cnccn4)c3[C@@H]2C1 140940169 VRSPGAKIMFTTJM-RISCZKNCSA-N 353.382 2.426 0 1 FEAF CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1CCCn1ccnc1 199225397 HTRNQKLKMYDFAU-MRXNPFEDSA-N 351.414 2.086 0 3 FEAF COc1cccc(-c2cc(=O)c3cccc(NCC[C@H](O)CO)c3o2)c1N 299831005 NFOVMKFGYBRELO-LBPRGKRZSA-N 370.405 2.206 0 1 FEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCS(=O)(=O)C2 587614676 UJAJOWLWSJLCFU-QAPCUYQASA-N 360.387 2.301 0 1 FEAF O=C(c1cnn[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587659205 ZIBFPJRTHLORAP-UHFFFAOYSA-N 353.288 2.148 0 1 FEAF Cc1ccc(Cn2cc([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)nn2)cc1 962905271 ZLBINWAIYWLGLT-LPHOPBHVSA-N 366.396 2.462 0 1 FEAF Cc1nnsc1C(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 12128947 GBQWUEWDRHWMFN-GFCCVEGCSA-N 353.407 2.037 0 1 FEAF COc1ccc(CN2CCC(=O)N([C@H](CO)Cc3ccccc3)CC2)cc1 12474613 GBYCQBAMRCNVBW-FQEVSTJZSA-N 368.477 2.333 0 3 FEAF Cn1c(CN2CCN(c3ccccc3)CC2)ccc1CN1CCCC1=O 13449323 HEKIAVJEIMRPAX-UHFFFAOYSA-N 352.482 2.470 0 1 FEAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3=O 15110564 YBCSDOGMTZMEND-XPZYIXMRSA-N 364.482 2.475 0 1 FEAF biogenic,in-vitro Cn1c(=N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)[nH]c2cc[nH]c2c1=O 1857560402 DPPPEDJFLKEXSB-OSYLJGHBSA-N 363.465 2.291 0 1 FEAF O=C(CO)N1CCC(Cn2c(-c3ccc(O)nc3)nc3ccccc32)CC1 1857603540 FYLHHKFYQITRPT-UHFFFAOYSA-N 366.421 2.035 0 1 FEAF COc1cc2ncc(-c3cc[nH]c(=N)c3)n2cc1S(=O)(=O)C(C)(C)C 1857630697 XAKWGUFILBMXGB-UHFFFAOYSA-N 360.439 2.390 0 1 FEAF COc1ccc(-c2cn3c(n2)CO[C@H](CNC2CCN(C)CC2)C3)cc1 2356310727 FIJJSKQRSVKQLB-GOSISDBHSA-N 356.470 2.141 0 1 FEAF N[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 2356321584 CVOPGWSAYOOQTC-FPCVCCKLSA-N 367.371 2.022 0 1 FEAF COc1ccc(CNC(=O)c2c(C)[n+]([O-])c3ccc(Cl)cc3[n+]2[O-])cc1 102009436 GTLGBAPXQLYWEN-UHFFFAOYSA-N 373.796 2.007 0 1 FEAF Nc1nc(-c2cccc(N3CCNCC3)c2)cc2nc(-c3ccco3)nn12 28115106 MQAJFAGHNPJXCS-UHFFFAOYSA-N 361.409 2.043 0 1 FEAF CO[C@@H]1C[C@@H]2[C@H](CC(=O)c3ccc(O)cc3)C[C@](C)(O)[C@H]2[C@@H](OC)O1 2356399203 PVROCOPQOJHZLO-AFKJYXRMSA-N 350.411 2.334 0 1 FEAF C[C@@H](O)COC[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1 38278895 CDKPAWCGPQDCGU-VQIMIIECSA-N 357.450 2.450 0 1 FEAF in-vivo OC(c1cccnc1)(c1cccnc1)[C@@H](c1ccccc1)N1CCNCC1 49066561 DDCLWOGSNNHDJS-OAQYLSRUSA-N 360.461 2.359 0 1 FEAF CCOC(=O)[C@H](C)NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 40846597 WTFXAXCWSNQSAP-DZGCQCFKSA-N 354.406 2.274 0 1 FEAF O=C(c1cnc(N2CCCC2)nc1-c1ccc(F)cc1)N1CCOCC1 82139335 HPXVXVQHPYFLMZ-UHFFFAOYSA-N 356.401 2.355 0 1 FEAF CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3ccccc3n3ccnc23)CC1 299845116 MZGBGAAQGBWIMC-JOCQHMNTSA-N 359.455 2.155 0 1 FEAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1 586916154 KSPGDBJFDDTJHV-INIZCTEOSA-N 367.471 2.053 0 1 FEAF O=S(=O)(c1ncccc1-c1nc2ncnc(Cl)c2[nH]1)C(F)(F)F 587126695 FSYSYCHPUQXTHB-UHFFFAOYSA-N 363.708 2.362 0 1 FEAF COCCN1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583771 URHTYJJCIRSJDD-PXNSSMCTSA-N 355.390 2.445 0 1 FEAF CCOC(=O)[C@H](c1cc2c3c(cccc3n1)CC2)[C@H]1CCS(=O)(=O)C1 587216612 HEHPGOWOURYPSH-KSSFIOAISA-N 359.447 2.415 0 1 FEAF O=C(O)CNS(=O)(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1 1486750 GNSLACGSDSJAIQ-UHFFFAOYSA-N 374.462 2.434 0 1 FEAF in-vivo O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)CCNC3=O)s1 103231567 KARLPBXTDWJLAV-MDWZMJQESA-N 355.444 2.046 0 1 FEAF C1=C[C@@H]2NC=C[C@H]2C(OC2CCN(c3ccc(-n4ccnc4)nn3)CC2)=C1 101310874 UJIMAOCGCGNVGP-SJORKVTESA-N 362.437 2.203 0 1 FEAF CCOP(=O)(CCCn1cc(Cn2ccccc2=O)nn1)OCC 103281630 NDPIPYUFQBOKNR-UHFFFAOYSA-N 354.347 2.144 0 1 FEAF CCOC(=O)N1CCC(Nc2c(Nc3ccc(F)cc3)c(=O)c2=O)CC1 100611659 MGDOTMPLHSGJNQ-UHFFFAOYSA-N 361.373 2.198 0 3 FEAF COc1ccc2cc([C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc2c1 28252923 ZDGDKLISXIEJCD-BZNIZROVSA-N 359.378 2.386 0 1 FEAF CN(C)c1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 72108805 UGDYATAZSWZKDO-UHFFFAOYSA-N 361.423 2.050 0 1 FEAF COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCO)CC1 42966936 ZBZJLGMKLRNCSZ-UHFFFAOYSA-N 369.893 2.288 0 1 FEAF CC(=O)NCCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1 82133685 NCKRVWKIHIWISJ-UHFFFAOYSA-N 367.453 2.364 0 1 FEAF O=C1C[C@H](OCc2cn(-c3cccc(Cl)c3Cl)nn2)[C@H]2CO[C@@H]1O2 1911585495 QYMNOHIGEQTYQX-GZBFAFLISA-N 370.192 2.174 0 1 FEAF COc1ccc(/C=C/c2nc(N)[nH]c(=O)c2Br)cc1OC 96914688 BKXMAWBCVDTTMO-HWKANZROSA-N 352.188 2.302 0 1 FEAF O=C(c1ncc[nH]1)N1CCC(Oc2ncccc2C2CCOCC2)CC1 96168904 CWXJOOADXICKQN-UHFFFAOYSA-N 356.426 2.382 0 1 FEAF COc1ccc(CN2C(=O)CO[C@@H]3CN(Cc4ccccc4)C[C@H]32)cc1 1203309044 KAHTWLLHEPWUDE-WOJBJXKFSA-N 352.434 2.307 0 1 FEAF biogenic COc1ccccc1CN1C[C@H](OC)CN(C(=O)OCC(C)C)CC1=O 299851466 GSPZXGZGJVOHPS-INIZCTEOSA-N 364.442 2.147 0 1 FEAF OCCCNc1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n1ncnc21 299836105 GIAVVFIPFBOBRR-UHFFFAOYSA-N 363.377 2.468 0 1 FEAF COC(=O)c1cc2[nH]c(CCNC(=O)Cc3ccccc3)nc2cc1OC 587228407 LEBHGJSJFIQFEL-UHFFFAOYSA-N 367.405 2.260 0 1 FEAF CCS(=O)(=O)c1ccc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2c1 587250412 TZPNRXYVHKXYFA-UHFFFAOYSA-N 359.407 2.233 0 1 FEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCS(=O)(=O)CC2 587609826 AHFOYRGJYBEFNZ-OAHLLOKOSA-N 360.387 2.301 0 1 FEAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cc2ccccc2[nH]1 38444685 ISYIDFWPLKVBFZ-UHFFFAOYSA-N 361.401 2.335 0 1 FEAF COc1ccccc1NC(=O)[C@H]1C(C)=Nc2nnnn2[C@@H]1c1ccncc1 169690990 NAKKTXMMMZGXJP-JKSUJKDBSA-N 363.381 2.027 0 1 FEAF C[C@H]1[C@@H](OC(=O)N2CCOCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711950 FVZYUTHRZSHHQT-PASDCYSWSA-N 350.459 2.415 0 3 FEAF O=C(Nc1nc(N2CCOCC2)c2nc[nH]c2n1)c1cccc(Cl)c1 1857590943 KBOGMORKVGQBGZ-UHFFFAOYSA-N 358.789 2.095 0 1 FEAF O=C(O)CCC[C@H](O)C=CC=CC=CC=C[C@H](O)[C@@H](O)CCCCCO 2356344135 ZOMUODAIBQTYLE-QYZOEREBSA-N 368.470 2.102 0 1 FEAF COc1ncc(Nc2ncc([C@@H](C)O)cc2-c2nc(C)nc(N)n2)cc1F 113238195 RFMMTRCKHHKIJM-MRVPVSSYSA-N 371.376 2.164 0 1 FEAF CC(C)NC(=O)N1CC[C@H](CC(=O)O)[C@H](Cc2nc3cnccc3[nH]2)C1 2356428611 RCSXAYJCSWSMEU-CHWSQXEVSA-N 359.430 2.031 0 1 FEAF CC1(C)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2[C@H](O)[C@@H]1O 13373997 UTMWJRQEAWMMPF-HKUYNNGSSA-N 370.357 2.437 0 1 FEAF biogenic C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCCCN(C)C 82083908 XNOXFKRMPPGPMB-LBPRGKRZSA-N 365.455 2.406 0 1 FEAF Oc1ccc2c3c1O[C@H]1c4[nH]ccc4C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 40440093 AVZPNFQSUXLGJJ-FBEWHJACSA-N 364.445 2.419 0 1 FEAF O=C1[C@H](Cc2ccc(F)cc2)CCn2cc(nn2)COC[C@H]2CCCN12 95665130 NEAJPGNHIYPSEK-MAUKXSAKSA-N 358.417 2.187 0 1 FEAF CCN1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2F)CC1 587368951 XZHBQECXHFAKBK-UHFFFAOYSA-N 369.400 2.384 0 1 FEAF COC(=O)[C@@H]1COC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355634 FJSNONVWEBJSIT-VPWXQRGCSA-N 372.348 2.448 0 1 FEAF Cc1cc(C)c2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)sc2n1 5036176 CFJWWAIZWORXCC-UHFFFAOYSA-N 371.418 2.120 0 1 FEAF Cc1cc(-c2ccnc(-n3ncc(C(=O)N(C)CCO)c3C)n2)c(C)s1 12024302 UBGQEYZVXSULBL-UHFFFAOYSA-N 371.466 2.380 0 1 FEAF CC(C)(C)CC(=O)N1CC[C@H]2CC(=O)N(CCc3c[nH]cn3)CC[C@H]2C1 15672899 PGIKJYPFLHMNJI-HOTGVXAUSA-N 360.502 2.476 0 1 FEAF CC(C)(O)[C@@H]1c2ccccc2CCN1C(=O)CNCC1(O)CCCCC1 168553562 DVDPLMPHMILMBS-IBGZPJMESA-N 360.498 2.168 0 1 FEAF C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 2923861 JDHMBNGUALYYBZ-RDJZCZTQSA-N 371.547 2.124 0 1 FEAF C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NC4CC4)ncnc32)[C@H](O)[C@@H]1O 13676857 CDVQTPNQKHFXGL-WCYMFGLZSA-N 366.421 2.312 0 1 FEAF CCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cccc4)cc3n2n1 13864082 FGBOCGAADXOJPF-UHFFFAOYSA-N 357.757 2.192 0 1 FEAF O=C(Nc1ccc(F)cc1)c1cnn2c(O)cc(C3CCNCC3)nc12 20855409 SBDJADVTLNKDBC-UHFFFAOYSA-N 355.373 2.293 0 1 FEAF in-vitro CN(C)c1nsc(-c2ccc(N3CCN(c4ccccc4)CC3)nn2)n1 27649960 JSIVGHJXJXSIIH-UHFFFAOYSA-N 367.482 2.388 0 1 FEAF CCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1ccccc1 49089556 VMQRRWYNFJEGEJ-UHFFFAOYSA-N 351.453 2.020 0 1 FEAF Cn1c(O)c(C(=O)C[C@H](NCCO)c2cccs2)c(=O)c2ccccc21 68591692 BNEJVWCVMDADBM-ZDUSSCGKSA-N 372.446 2.202 0 1 FEAF biogenic O=C(O[C@@H]1CCCC[C@H]1n1cc(CN2CCOCC2)nn1)c1ccccc1 82157471 PNRUIYWEALQFKP-RTBURBONSA-N 370.453 2.451 0 1 FEAF COC(=O)c1c(C(F)(F)F)nn(Cc2ccc(F)cc2)c(=O)c1OC 84708551 XFJRNWQWJJQGPT-UHFFFAOYSA-N 360.263 2.245 0 1 FEAF COc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 95884474 ZTHVHELPCLGXHF-FSHSUKQZSA-N 364.445 2.101 0 1 FEAF Cc1sc2nc3[nH]c(CC(=O)Nc4ccccc4)nn3c(=O)c2c1C 103096284 CHCQWVLTJNODEB-UHFFFAOYSA-N 353.407 2.430 0 1 FEAF COC(=O)/C=C/c1ccc2c(c1)C(=O)C(=O)N2CCOc1ccccc1 103230077 ONPAUWMONFMXKD-CSKARUKUSA-N 351.358 2.481 0 1 FEAF Cc1cc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)ccc1F 116771895 WJJNFNAESNJERO-UHFFFAOYSA-N 360.370 2.215 0 1 FEAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cnnc5ccccc45)C[C@H]3C2)n1 116826793 DLJWHPNJVKLNBP-IYBDPMFKSA-N 374.448 2.245 0 1 FEAF C[C@@]12CCC[C@@](CO)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 145122799 DWSHSMIESAAXBC-QQOBTVJVSA-N 352.471 2.180 0 1 FEAF O=C(O)CCNC(=O)c1ncc2cc(Oc3ccccn3)ccc2c1O 146688281 XNHNEVVHEIJPCG-UHFFFAOYSA-N 353.334 2.332 0 1 FEAF O=C(OC1CCN(c2ccc(F)cn2)CC1)N1CCN(C2CCC2)CC1 223533935 VMSHXZZOKJUKEL-UHFFFAOYSA-N 362.449 2.496 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 586909215 WNBORDAZRYLGJW-NSHDSACASA-N 373.434 2.394 0 1 FEAF COc1ccc(S(=O)(=O)Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 586920026 DHGRVMUBMNPVHG-UHFFFAOYSA-N 373.434 2.247 0 1 FEAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(F)cc(C(=O)O)c2[nH]1 587223755 FUAJTTZQLXVIMG-JTQLQIEISA-N 357.341 2.484 0 1 FEAF COC(=O)c1nnn(-c2c(C)[nH]c3ccc(F)c(Cl)c23)c1C(=O)OC 587631753 LKEOLFGKCCVQNZ-UHFFFAOYSA-N 366.736 2.423 0 1 FEAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587935281 HOSRRGZELJLKKW-GTNSWQLSSA-N 350.382 2.384 0 1 FEAF CCOC(=O)C1=NNc2cc(-c3ccccc3)nn2[C@]1(O)C(F)(F)F 1772622702 SINGOZFWGHXAEG-CQSZACIVSA-N 354.288 2.102 0 1 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccno4)c(=O)n1c23 1857542072 XYBHCPNXCFLWEB-VIFPVBQESA-N 357.341 2.271 0 1 FEAF COc1ccc(CN2C[C@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)cn1 2356302290 QUFARTTXVHATAJ-DZGCQCFKSA-N 357.389 2.101 0 1 FEAF C[C@@]1(C(=O)O)[C@H]2CC[C@H]3C[C@H]4C[C@]3(CC[C@]4(O)C(=O)O)[C@]2(C)CC[C@H]1O 2356324900 LYFNKMIDRMKGMD-CXIDBVNESA-N 366.454 2.270 0 1 FEAF COc1ccc(CCC(=O)O)c2c1[C@H]([C@H](O)C(C)(C)O)OC(C)(C)O2 2356609441 APMMATLSOWXISW-CVEARBPZSA-N 354.399 2.030 0 1 FEAF COc1cc(O)c2c(c1)[C@H](O)[C@H]1CC[C@@H](O1)[C@@H](O)CCC[C@H](C)OC2=O 2356721031 QSSWIPLGEQHZBQ-TTYQBRBKSA-N 366.410 2.072 0 1 FEAF Cc1ccc(NC(=O)[C@H](C)OC(=O)Cn2cnc3ccccc3c2=O)cc1 6544369 IMCHMZUQIRXKQI-AWEZNQCLSA-N 365.389 2.275 0 3 FEAF COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1[C@H]2CC3C[C@@H]1CN3C2 601373 BOZRGVLESXHQJV-XRMLZUONSA-N 363.845 2.129 0 1 FEAF CC(C)(O)C=CC=C1COC(=O)[C@@H]2[C@@H]1CC[C@@]1(C)C[C@@]2(O)CC[C@@H]1O 2356393760 RYJGTWUENJOFBS-MWTROVGWSA-N 350.455 2.105 0 1 FEAF CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1 4093549 DZQARRMUCUCLEH-AWEZNQCLSA-N 359.455 2.194 0 3 FEAF CC(C)(C)OC(=O)[C@@H]1N2C(=O)/C(=C\c3ccccc3)[C@H]2[S@](=O)C1(C)C 29318199 WRLHHMUZLJLBPE-MVMFRURTSA-N 361.463 2.490 0 1 FEAF CCN1CCC(N2CCN(c3cc(-c4nc(C)no4)ccn3)CC2)CC1 65395685 TXPFLMXVJDNGJF-UHFFFAOYSA-N 356.474 2.046 0 1 FEAF Cc1cccc(CCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)c1 103711292 GRJXOPULAWMNSE-UHFFFAOYSA-N 360.417 2.497 0 3 FEAF COc1ccccc1N1CCN(C[C@H](O)C2=COc3ccccc3O2)CC1 28098172 AWECPZGBACZYQW-KRWDZBQOSA-N 368.433 2.491 0 1 FEAF CC(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356606210 HLJKCLMZEHNAQC-NMLBUPMWSA-N 355.482 2.290 0 1 FEAF O=C1CO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2N1c1ccccc1 2356614034 FISYLUPKCMKBIE-VQIMIIECSA-N 352.390 2.032 0 1 FEAF Cn1ncc2cc(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)cnc21 218276589 GCLXDYUBPVLGMU-UHFFFAOYSA-N 374.404 2.309 0 1 FEAF O=S(=O)(c1cccc(F)c1)c1cccc2oc(N3CCNCC3)nc12 40864774 XLODRHINUUOPLQ-UHFFFAOYSA-N 361.398 2.209 0 1 FEAF NCCC(=O)N1CCc2c([nH]c3ccc(O)cc23)[C@H]1c1cccc(O)c1 45375314 NAGFFPPJAJJYAK-HXUWFJFHSA-N 351.406 2.402 0 1 FEAF CNC(=O)c1ccc2c(c1)OCCn1nc(-c3ncnn3C(C)C)cc1-2 96269667 WDAXHFAHGVOCMK-UHFFFAOYSA-N 352.398 2.142 0 1 FEAF C[C@@H]1CC[C@@]23[C@H](O)O[C@H]4C[C@@]2(OC(=O)[C@]43C)[C@@]12C[C@H](c1ccoc1)OC2=O 238759877 OFOZPMNKDDSNNL-ZSQXTZQWSA-N 374.389 2.093 0 1 FEAF C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)C[C@@H](C)CO)C1 523041846 TZWLJFAUVXXQDV-NTEOUGIVSA-N 366.454 2.143 0 1 FEAF biogenic CNS(=O)(=O)c1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)n(C)c1 586947623 WNRVZUBURASXIB-UHFFFAOYSA-N 362.308 2.033 0 1 FEAF CCS(=O)(=O)c1cccc(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 586922232 RUXNNSUSCLUYGB-UHFFFAOYSA-N 371.418 2.278 0 1 FEAF O=C(O)CSc1ncccc1-c1nc2nc(Br)c[nH]c-2n1 586967239 RVMLHSBGMSMSRW-UHFFFAOYSA-N 366.200 2.306 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cccc(Cn3cncn3)c1)NCC2 962924093 MVBGTJHTRPBTAH-HXUWFJFHSA-N 361.449 2.263 0 1 FEAF Cn1cccc1CN1CCc2sccc2[C@]12CC[C@@H]1[C@H](C(=O)O)NC[C@@H]12 962374146 NXMOTYFJEQECGT-LLYILUEJSA-N 371.506 2.423 0 1 FEAF c1ncc(CCNC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)[nH]1 1772612749 SWEFWZTXMGLBPP-HDJSIYSDSA-N 364.457 2.435 0 1 FEAF CCOC(=O)C(C(=O)OCC)=C1SCC(=O)N1c1ccccc1F 1857774839 BDHJTZWMZVCRKD-UHFFFAOYSA-N 353.371 2.243 0 1 FEAF C=C(CCO)C(=O)O[C@H]1CC(C)=CCCC(CO)=C[C@H]2OC(=O)[C@H](C)[C@H]12 253838863 DTSRWZQRWMWHDL-BZZMCLGOSA-N 364.438 2.063 0 1 FEAF COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 6892707 BPZDNXWAXJKTOR-UHFFFAOYSA-N 364.448 2.218 0 3 FEAF COCCn1c(CNC(=O)c2cccc(N(C)C)c2)nc2cccnc21 8600533 XYUJYAWMPYQMEI-UHFFFAOYSA-N 353.426 2.074 0 1 FEAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(C2CC2)n1 2356289318 TVPGDCXMOCSFCS-NCYKPQTJSA-N 367.493 2.353 0 1 FEAF O=C(O)c1cn(C2CC2)c2cc(N3C[C@@H]4CCCN[C@@H]4C3)c(F)cc2c1=O 26945614 WLIYUISORGCVCB-MEDUHNTESA-N 371.412 2.362 0 1 FEAF O=C1C(=O)N(c2ncccn2)[C@H](c2cccs2)[C@@H]1C(=O)c1ccco1 110752184 CXKAPGDWEKFEIL-CHWSQXEVSA-N 353.359 2.287 0 1 FEAF C[C@H](NC(=O)c1cnccn1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356302461 VZBIOIDZXNHZKA-VIFPVBQESA-N 356.313 2.460 0 1 FEAF CNC(=O)c1cc(N[C@H]2c3ccccc3C[C@@H]2O)c2nc(C)c(C)n2c1 28826108 AYRINRHOPXSPJR-ROUUACIJSA-N 350.422 2.381 0 1 FEAF CN1CC[C@H](c2ccc(Cl)cc2)[C@H](C[S@](=O)CC(=O)N(C)C)C1 28461504 MHTHGYXELORNEW-URSPUVDMSA-N 356.919 2.212 0 1 FEAF COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)=Nn1c(n[nH]c1=O)C2 27209453 SXNGRPQPSPECBD-UHFFFAOYSA-N 370.796 2.447 0 1 FEAF O=C1N=C2OC=C(C(=O)N3CCCCC3)N2CCN1Cc1ccccc1 74380340 QDXKFBYARWZALG-UHFFFAOYSA-N 354.410 2.164 0 3 FEAF O=C(O)CNC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 40576669 VSRMLUPARQIUEF-UHFFFAOYSA-N 365.474 2.016 0 1 FEAF Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)cc1 84741766 GJZQERXHKZWVDO-KRWDZBQOSA-N 351.406 2.337 0 1 FEAF CNS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(OC)nc3)c2)cc1 95580391 NIENXNMDVOMRQU-UHFFFAOYSA-N 370.434 2.310 0 1 FEAF O=S(=O)(N[C@H]1CCN(CCOc2ccccc2)C1)c1ccc(F)cc1 95572659 LHMHWJFZTBPLDP-INIZCTEOSA-N 364.442 2.257 0 1 FEAF CCCOC(=O)[C@@H](Cn1ccnc1)NC(=O)c1nc2ccccc2s1 473081731 CXWJGKXICVVWEZ-CYBMUJFWSA-N 358.423 2.245 0 1 FEAF O=C(NCCCNC(=O)c1nccs1)c1cc(-c2ccccc2)[nH]n1 473089531 RHUMPIOPYLFYHR-UHFFFAOYSA-N 355.423 2.083 0 1 FEAF Oc1nc(S)nc2[nH]c(C(F)(Br)Br)nc12 587086854 HVNMGHMMBROIAO-UHFFFAOYSA-N 357.990 2.217 0 1 FEAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(C)c1cc[nH]n1 963146867 OQFSMSXZTZFNGB-QFYYESIMSA-N 364.427 2.376 0 1 FEAF NS(=O)(=O)Oc1ccc2cc(-c3ccc(F)c(F)c3)c(=O)oc2c1 1772647374 DOIJURNENMDCBX-UHFFFAOYSA-N 353.302 2.321 0 1 FEAF COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4(O)C(=Nc5ccccc54)[C@@H]3C[C@H]12 14415634 FFWCSZRQNSLOCG-NWQITLLVSA-N 368.433 2.146 0 1 FEAF O=C(NC1CC1)c1ccc(OCc2conc2[C@H]2CC[C@@H](F)CN2)nc1 169685450 GKERFUDNQOHVJH-UKRRQHHQSA-N 360.389 2.303 0 1 FEAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@@H](O)CO)c1 776327 HZLRNXMHCOFIKM-CYBMUJFWSA-N 362.426 2.121 0 1 FEAF Cc1ccc(NS(=O)(=O)c2coc(C(N)=O)c2)c(Br)c1 4030519 ZCRUKYOWGWNLMA-UHFFFAOYSA-N 359.201 2.250 0 1 FEAF C/C=C1/CN(C=O)[C@H]2C[C@H]1[C@@H](C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 101433716 NKMFTVSMLXLPDB-PHTYPUGGSA-N 368.433 2.063 0 1 FEAF Cc1c(N2CC[C@@H]3C[C@@]3(N)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12 1911574172 XCMLBGXZRPIXHP-ZUOKHONESA-N 356.445 2.170 0 1 FEAF O=C1NC(=O)[C@H](Cc2ccc(OCCNc3ncccc3O)cc2)S1 95618711 GWVBGLUFILBNNY-AWEZNQCLSA-N 359.407 2.172 0 1 FEAF world C[C@@H]1O[C@@H]2N[C@H](CSc3ccc4ccccc4c3)NC(=O)[C@@H]2[C@H]1C(=O)O 618014649 BFVORBXNUMPUJK-YIBRPFIWSA-N 372.446 2.039 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2F)CC1 618020271 VUBMZKONVBZNES-UHFFFAOYSA-N 368.352 2.315 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2c1 587134458 GMQSCOSWDQQGQX-UHFFFAOYSA-N 352.366 2.341 0 1 FEAF COC(=O)[C@@H]1CC[C@@]2(CC1(C)C)N[C@H](C(=O)O)Cc1cc(C)c(O)cc12 963493388 VWFMUBVDEBXQTN-KPHUOKFYSA-N 361.438 2.494 0 1 FEAF CC=C1CN(C)C(=O)[C@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@H]12 2356411544 SBJLRAOPYMKDRU-VFNWGFHPSA-N 366.417 2.491 0 1 FEAF C/C=C1\CN(C)[C@@H]2C[C@@]3(C(=O)N(OC)c4cc(O)ccc43)[C@@H]3C[C@@H]1[C@H]2CO3 103581962 VYZFRSLZSBLYIC-FGDSOQBESA-N 370.449 2.223 0 1 FEAF biogenic,in-vitro O=C(CNC(=O)c1ccccc1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 28389387 WBUMADZHUWSXGU-GOSISDBHSA-N 371.868 2.461 0 1 FEAF C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1ccc(O)c(C(N)=O)c1 27728393 MHKAOBQJPBYYJQ-BLVKFPJESA-N 353.422 2.227 0 1 FEAF COC(=O)c1ccc2c(c1)nc1n2[C@H](CNC(=O)CC(C)(C)C)COC1 2356595631 OCUSKMNUEDKBMC-CYBMUJFWSA-N 359.426 2.447 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CCC(=O)[C@H](C)[C@@]12C 38824725 WKMBTXJFBQEZHO-PTCPTGMSSA-N 362.422 2.452 0 1 FEAF C[C@@H]1N[C@H](CCCCCC[C@H](CO)CC[C@@H](O)CC(=O)O)CC[C@H]1O 85488298 VJJZUCVDBNEUFA-QXDIGNSFSA-N 359.507 2.053 0 1 FEAF biogenic,in-vitro Nc1ncc(C(=O)N[C@H]2C[C@H](O)C2)c2ccc(-c3cccc(F)c3)nc12 144773173 BURWZOZKFKLKID-BETUJISGSA-N 352.369 2.271 0 1 FEAF O[C@@H](COc1ccn(-c2ccc(Cl)c(Cl)c2)n1)CN1CCOCC1 95556962 NMQPZCLURQSRFP-CYBMUJFWSA-N 372.252 2.251 0 1 FEAF COC(=O)[C@@H]1CNCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587797239 RJMCZJNDHJGVLI-QEKSWQHZSA-N 371.250 2.100 0 1 FEAF COc1cc2c3c(c1)O[C@@](c1ccc(O)c(OC)c1)([C@H](C)O)[C@@H](C2)C3=O 587445034 YVVGXOYKIBBVSK-ZNUZLIQOSA-N 356.374 2.433 0 1 FEAF CNS(=O)(=O)c1cc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)n(C)c1 586947549 RVQRRXPZFZUPCK-UHFFFAOYSA-N 360.226 2.178 0 1 FEAF COC(=O)C1CCN(C(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC1 587392519 BGZUXNQBHOQKEZ-HXUWFJFHSA-N 374.437 2.103 0 1 FEAF O=C1CSC[C@@H](c2nc3cccc(I)c3[nH]2)N1 587043235 JKYALOXDMKYGKA-QMMMGPOBSA-N 359.192 2.072 0 1 FEAF CSCCc1n[nH]c2c1CN(S(=O)(=O)Cc1ccccc1)CC2 19227633 MEFQPRZKJLHECS-UHFFFAOYSA-N 351.497 2.203 0 1 FEAF O=c1cc(OCCCN2CCN(c3ncccn3)CC2)c2ccccc2o1 1857595978 BRVSDYDXHMMLIL-UHFFFAOYSA-N 366.421 2.174 0 1 FEAF CC[C@H](OC(=O)c1cc2sccc2n1C)C(=O)NC[C@H]1CCCO1 4388671 XXVXZSSCNCLSFK-RISCZKNCSA-N 350.440 2.470 0 3 FEAF COc1ccc([C@@H]2c3cc4c(cc3O[C@@H](NCCO)[C@@H]2C)OCO4)cc1 105520913 MFAQRALUOKQDAT-TVNIXMEMSA-N 357.406 2.492 0 1 FEAF CCCCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)N(C)C4=O)cc1 101635023 RSXRKAGCCDDONS-XSLAGTTESA-N 368.433 2.388 0 1 FEAF COC(=O)C1=C2[C@](C)(C(=O)OC)[C@H](OC=O)CC[C@]2(C)c2ccccc21 2356703445 CWVFPXBNVZCOCD-JSNMRZPZSA-N 358.390 2.399 0 1 FEAF C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCCCC1 82083281 OSOBWUIJGVJXPR-LBPRGKRZSA-N 371.393 2.201 0 1 FEAF O=C(O)CCC(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)O 84709819 HOWRMZYRWRAFFW-UHFFFAOYSA-N 356.334 2.440 0 1 FEAF CC[C@@H]1CN(C(=O)NC(C)C)CC[C@@H]1CC(=O)NCCN1CCCC1 25434071 MCOYRWQGQFUUFZ-IAGOWNOFSA-N 352.523 2.055 0 1 FEAF biogenic c1ccc(C[C@H]2N[C@H](c3nc4ccc(-n5cnnn5)cc4[nH]3)CS2)cc1 587042641 VAKSGWCKXNLYKW-IRXDYDNUSA-N 363.450 2.485 0 1 FEAF CS(=O)(=O)c1cccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587654017 GPLLVEXKNJSGFE-UHFFFAOYSA-N 362.794 2.142 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ncnc2O)N1 587779106 QFRYVAYJIMGIGE-PWCHPLFNSA-N 354.179 2.413 0 1 FEAF CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@@]1(C2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962908270 UZEQJTQHJBXBRG-WBCYEJBOSA-N 360.429 2.322 0 1 FEAF CO[C@@H]1[C@H]2OC(=O)O[C@H]2[C@@H](OC(=N)C(Cl)(Cl)Cl)OC1(C)C 167963337 FWPYNYDRGPZEKJ-WNJXEPBRSA-N 362.593 2.404 0 1 FEAF CCOC(=O)c1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)O)nc1C 169688180 KQSYOBQZSYZSAI-LMLFDSFASA-N 350.396 2.090 0 1 FEAF O[C@H]1CN(Cc2ccccc2)CC[C@@H]1N1CCN(c2ccccc2)CC1 58558562 YQRZGAQHXYANNE-VXKWHMMOSA-N 351.494 2.444 0 1 FEAF O=C1CC[C@H]2[C@H](O)c3cc4c(cc3[C@@H](c3ccc5c(c3)OCO5)N12)OCO4 105526185 JOCDYUMUWHCJQD-CJMONDIMSA-N 367.357 2.271 0 1 FEAF COC(=O)c1ccc2c(c1)C(NCCCN)=C1C(=N[C@H]3C=CC=C[C@H]13)N2C 103164672 AHFQPZUEVZSQGJ-HOCLYGCPSA-N 364.449 2.095 0 1 FEAF O=C1C[C@@H](N2CCN(c3ccccc3)CC2)NC(=O)N1C1CCCCC1 219872213 REZOBXNOFPPCCZ-GOSISDBHSA-N 356.470 2.409 0 1 FEAF C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCCCC1 82088152 OSOBWUIJGVJXPR-GFCCVEGCSA-N 371.393 2.201 0 1 FEAF CCc1nc(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3N)C2)cs1 82069376 PVNNZHUNRKIJSN-AWEZNQCLSA-N 372.494 2.456 0 1 FEAF C[C@H](N)c1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1 143475723 SJLZOBANZAVCGF-SWLSCSKDSA-N 365.437 2.216 0 1 FEAF NC(=O)c1cc(-c2c[nH]c3ncccc23)cc(N[C@H]2CC[C@H](O)CC2)n1 261172359 UAAKAFFQYXZYAW-JOCQHMNTSA-N 351.410 2.439 0 1 FEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H]1[C@H](C(=O)O)[C@@H]2C(=O)O 587491894 WQISMQWDRMYOOA-XNVDOIJASA-N 374.389 2.490 0 1 FEAF Cc1cccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 586942863 QZNGDFLDLMCKKY-UHFFFAOYSA-N 350.831 2.441 0 1 FEAF CCn1cc(C(=O)C[C@@]2(C(F)F)c3nn(C)cc3CCN2C)c(C)n1 963954196 HRHVFXIBAJPXRK-KRWDZBQOSA-N 351.401 2.166 0 1 FEAF COc1ccc2cccc(CCNC(=O)C3CN(C(=O)N(C)C)C3)c2c1 169351171 YXZQQFGXMYYAIP-UHFFFAOYSA-N 355.438 2.121 0 1 FEAF O=C(NCCCNC(=O)c1nccs1)c1cc(-c2ccccc2)on1 201712199 BLYHLPBGBSCJID-UHFFFAOYSA-N 356.407 2.348 0 1 FEAF CN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2466616 KMXPPTAFUIKKDW-PMACEKPBSA-N 363.461 2.201 0 1 FEAF N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(O)cc1)=C(O)O 100388595 BGRHKFBIXDCYKR-INIZCTEOSA-N 367.405 2.387 0 1 FEAF endogenous,in-vitro CC(C)NC[C@H](O)COc1ccc(OCCn2nnc3ccccc32)cc1 27560922 XWLHWLMPBOBXFL-INIZCTEOSA-N 370.453 2.248 0 1 FEAF CCc1cc([C@@]2(c3cccc(-c4cncnc4)c3)NC(=N)N(C)C2=O)ccn1 34804737 INKNZABLNYYGBD-OAQYLSRUSA-N 372.432 2.341 0 1 FEAF CCNc1nccc(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1 87612956 UJWVROFTMGPVSY-QGZVFWFLSA-N 351.410 2.367 0 1 FEAF Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCCCOC(C)C 82203589 MLDJYMHDLFKTJO-UHFFFAOYSA-N 371.489 2.129 0 1 FEAF C[C@H](CF)Oc1cc(C(=O)N[C@](C)(CC(N)=O)C2CC2)ncc1C1CC1 146528251 FLPDTGMQAJUKQC-NSPYISDASA-N 363.433 2.470 0 1 FEAF O=C(NC[C@H](O)N(CCO)C1CCCC1)c1cc2cc(Cl)ccc2[nH]1 95920793 VXABTOCIIZSEPD-KRWDZBQOSA-N 365.861 2.106 0 1 FEAF in-vitro CC1(C)Oc2c(O)cc([C@@H]3CC(=O)c4ccc(O)cc4O3)cc2[C@H](O)[C@@H]1O 40863311 CKBIVADBUPGTKI-IEZWGBDMSA-N 372.373 2.370 0 1 FEAF biogenic O=C1O[C@@H](CO)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1 653804956 AQVBOOTXKCDLKJ-CQSZACIVSA-N 354.341 2.391 0 1 FEAF NC(=O)C[C@@H](C1CCCCC1)n1cc(Nc2ncnc3[nH]cnc23)cn1 653847612 CFKUREQRGZJXLW-ZDUSSCGKSA-N 354.418 2.290 0 1 FEAF Nc1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc1CC(=O)O 587248950 CKTXWLDCJLUHQP-UHFFFAOYSA-N 366.421 2.271 0 1 FEAF O=c1[nH]c2ccccc2n2c(=O)c(-c3ccc(Br)cc3)nn12 13642881 WFRRJMYHDPXXFB-UHFFFAOYSA-N 357.167 2.065 0 1 FEAF O=C1N[C@]2(CCCc3ccccc32)C(=O)N1S(=O)(=O)c1ccc(F)cc1 1857534625 MZSYIZYIXBOKBR-SFHVURJKSA-N 374.393 2.298 0 1 FEAF Cc1c(C(=O)Nc2nc(C3CCC3)c(N3CCN(C)CC3)s2)cnn1C 1857587548 YXLKVBVEGPTOKS-UHFFFAOYSA-N 374.514 2.457 0 1 FEAF CC1(C)Oc2cc(NS(=O)(=O)c3ccc(F)cc3F)cnc2NC1=O 1857767899 BABHQXGPSUDAKJ-UHFFFAOYSA-N 369.349 2.270 0 1 FEAF CC(=CCOc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@@H](O)C2=O)CO 2356406983 MSWOYPGTQZJKQY-PMACEKPBSA-N 372.373 2.093 0 1 FEAF CCCc1c(O)c(=O)c([C@@H]2OC(=O)c3cc(OC)cc(OC)c32)cn1C 2356486657 ZQHQNMKDRSDFAT-SFHVURJKSA-N 359.378 2.320 0 1 FEAF C[C@H](C=C[C@H](CO)C(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)O[C@H]3CC[C@@]12C 2356495782 DPLUBJMWMWJWLE-PUOCXYDZSA-N 364.482 2.351 0 1 FEAF COc1ccc(CNc2nc(NCCO)nc3c2NCN3C(C)C)cc1 70719136 LGEALNIIYZFOFB-UHFFFAOYSA-N 358.446 2.099 0 1 FEAF C[C@@H]1CC(=O)[C@]23CO[C@H]4O[C@H](c5ccoc5)C[C@@]41[C@H]2CCC[C@]3(O)CO 238780544 RJXNGHOTQUVUEG-NLJRHTBWSA-N 362.422 2.203 0 1 FEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Cl)ccnc2[nH]1 586959944 UEKILXCTMKTQDE-AWEZNQCLSA-N 352.803 2.080 0 1 FEAF O=C(CNCCc1cccc(OCCCC(F)(F)F)c1)N1CCOCC1 1772645209 FSCBJLCQGSZILU-UHFFFAOYSA-N 374.403 2.399 0 1 FEAF CC(=O)[C@@H](C(=O)NCc1ccccc1)N(CCc1ccccc1)C(C)=O 205861480 MBVWIXSUFXBKRF-FQEVSTJZSA-N 352.434 2.352 0 3 FEAF Cc1ncc([C@H](CNC(=O)c2ccccc2Cl)N2CCOCC2)cn1 207613475 WMKAIQNXOYJSEB-KRWDZBQOSA-N 360.845 2.242 0 1 FEAF C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)C2)C[C@H]1N(C)c1ncnc2[nH]ccc12 38444252 XLWYJSMYNALODL-XJKCOSOUSA-N 355.442 2.000 0 1 FEAF C[C@@H]1N[C@H]([C@@H]2CC[C@H](CCCCC[C@H](O)CC(=O)O)[C@H](O)C2)CC[C@H]1O 2356309822 QRBRUTOUZJIBOC-LWWDEJTHSA-N 371.518 2.051 0 1 FEAF CN1CC[C@@H]2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)[C@H]2C1 58550902 WCIYUOOGUNVCHI-PMACEKPBSA-N 366.509 2.405 0 1 FEAF CSc1ccc(C(=O)N2CC(=O)N(CC(C)(C)C)C[C@H](O)C2)cc1 105849218 FIAGSXLDASBQPP-CQSZACIVSA-N 350.484 2.100 0 1 FEAF C[C@]1(O)OC[C@H](C(=O)O)[C@@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]21 2356473309 AQHLWAARHKACOY-URJQKCCOSA-N 356.422 2.143 0 1 FEAF C[C@]1([C@H](O)CO)C=C2CC[C@@H]3[C@](C)(C(=O)O)C[C@H](O)C[C@]3(C)[C@@H]2CC1 2356667264 UWBQESXNYLGFQE-IDRWLXGUSA-N 352.471 2.344 0 1 FEAF CN1[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CCCS1(=O)=O 95565186 NISRPTDTMJILRA-LBPRGKRZSA-N 351.255 2.034 0 1 FEAF CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)C1CCCC1 95667295 LXHUATMGBRBCLL-GUDVDZBRSA-N 373.497 2.241 0 1 FEAF CC(=O)NCC(=O)N1CCC2(CC1)CCN(CC(C)C)c1ccccc1O2 95597259 SEXXPLFQEAIGDG-UHFFFAOYSA-N 373.497 2.429 0 1 FEAF CC1(C)Oc2c(O)cc([C@@H]3CC(=O)c4ccc(O)cc4O3)cc2[C@@H](O)[C@H]1O 40863305 CKBIVADBUPGTKI-KVSKMBFKSA-N 372.373 2.370 0 1 FEAF biogenic Cc1nc(C)c(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)s1 587012219 PXGDQVKLLVKOKW-UHFFFAOYSA-N 350.469 2.477 0 1 FEAF CN(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 586928891 NLUCEUPYRNDIBR-UHFFFAOYSA-N 372.237 2.480 0 1 FEAF CCCn1c(=O)c2[nH]c([C@H](CO)Cc3ccccc3)nc2n(CCC)c1=O 12405521 ZEUYNQBTMCKNPO-HNNXBMFYSA-N 370.453 2.025 0 1 FEAF Cc1cc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OC[C@@H]3F)c2)nn1C 169702966 OFVJRTFMLSWACW-WMLDXEAASA-N 363.368 2.018 0 1 FEAF O=c1oc2cc(O)ccc2c(O)c1Cc1c(O)c2ccc(O)cc2oc1=O 6513187 ZCRYILRCCBOILO-UHFFFAOYSA-N 368.297 2.313 0 1 FEAF Nc1cc(Cl)nc(S(=O)(=O)Cc2cccc(Br)c2)n1 6525352 UDKQCNPSQXVKKZ-UHFFFAOYSA-N 362.636 2.449 0 1 FEAF CCSc1cc(=O)c2c(O)cc(O)c([C@H]3CCN(C)C[C@@H]3O)c2o1 12354904 MXQMYWXBECXGHZ-ZANVPECISA-N 351.424 2.096 0 1 FEAF Cc1ccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1Cl 13517056 QDSLCHJCYYXTEW-QOWYLKOSSA-N 363.797 2.328 0 1 FEAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCCN2CCSC[C@H]12 40640773 FPMCRWQXDKRLJF-ZIAGYGMSSA-N 355.891 2.240 0 1 FEAF CCCc1cc(N2CCC(N(C)C)CC2)nc2sc(C(N)=O)c(N)c12 45256807 LEYKXJUYOZOHRU-UHFFFAOYSA-N 361.515 2.460 0 1 FEAF CN(C)C(=O)[C@H]1Cc2ccccc2N1C(=O)CCN1Cc2ccccc2C1 84726360 ZDKWTBFFKBWADD-HXUWFJFHSA-N 363.461 2.438 0 1 FEAF CCN(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)NC1CCCC1 95895901 HWKRYOWXXXZXJP-VAMGGRTRSA-N 373.497 2.336 0 1 FEAF O=C(NC1(CO)CCC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21 299838747 QYJMHBYZTCLNAE-ZYHUDNBSSA-N 359.376 2.455 0 1 FEAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(O)nc(O)nc2[nH]1 587168054 RQWPZUSVFUNWBZ-JTQLQIEISA-N 358.333 2.272 0 1 FEAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cn1 587245133 OMIGFEJEVNUWJH-UHFFFAOYSA-N 373.438 2.257 0 1 FEAF Cc1nn(C)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276709 SSYRFLQRLQDZTM-UHFFFAOYSA-N 350.172 2.356 0 1 FEAF CCOC(=O)C[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397771 AZCYLVJNBBQBEL-ORAYPTAESA-N 363.410 2.434 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(CCOc3ccc(C=O)cc3)[nH]c12 587566355 ILPSVUXEPKGZNO-UHFFFAOYSA-N 373.434 2.247 0 1 FEAF CCCNC(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)c(F)c2)C[C@@H](N)C1 1857573998 HYGODLCYAHQHCD-WDEREUQCSA-N 356.829 2.186 0 1 FEAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@@H]3CCC[C@H]4[C@@H](O)C(C(=O)O)=C(C1)[C@@]342 2356370240 NZESTHCXDKJCAK-MYVOEUQCSA-N 371.481 2.318 0 1 FEAF C[C@]12[C@@H]3C[C@@]4(C)O[C@@]1(CCC[C@H]2C(=O)O3)O[C@@H]1[C@H](c2ccoc2)OC(=O)[C@@H]14 2356395836 XSUYRBLFYMCFCL-OYSBAZFQSA-N 374.389 2.500 0 1 FEAF CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(=O)c3c(O)cccc3o2)CC1 28638674 IXYMYGBJEMROPF-UHFFFAOYSA-N 374.393 2.192 0 1 FEAF O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)NCc1ccccc1 103745749 IUXIDQBXHQHVLN-UHFFFAOYSA-N 367.430 2.347 0 3 FEAF CSc1ccc(C(=O)N2CC(=O)N(Cc3ccccc3)C[C@H](O)C2)cc1 105846595 TVFMZXVLTSTKMV-KRWDZBQOSA-N 370.474 2.254 0 1 FEAF CC[C@H](C)[C@H](NC(=O)C[C@H]1CCC(=O)[C@H]1CC=CCC(=O)O)C(=O)O 2356830335 JGWHHQHWBOQVJU-LKQDWFRTSA-N 353.415 2.008 0 1 FEAF CC(=O)N[C@@H](CSC(=S)NCCCCc1ccccc1)C(=O)O 40392995 LITKDIAXAOEWHC-AWEZNQCLSA-N 354.497 2.206 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1CC=C2C[C@@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C 238738882 VNQVNYIPOUGYKN-LSNGLYKXSA-N 362.422 2.163 0 1 FEAF COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)ccnn23)cc1OC 299867333 QEQHXLUUDIQJPT-UHFFFAOYSA-N 369.425 2.270 0 1 FEAF COC(=O)/C(=C/N(C)C)[C@@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429546 PJIZQALYWCBURE-XQPYCYOESA-N 357.406 2.210 0 1 FEAF O=C(/C=C/c1ccccc1)NC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2178319839 CKLVEAMGLJSXAF-FLVLSHQESA-N 368.389 2.196 0 1 FEAF COc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4CN5CC[C@]26[C@@H]5C[C@@H]4[C@@H]3[C@H]16 4887026 CAPUGADOGHKUQS-JPPAUQSISA-N 364.445 2.101 0 1 FEAF biogenic,in-vitro CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@H]2O)OCO3 608242 GHKISGDRQRSCII-MDASCCDHSA-N 353.374 2.331 0 1 FEAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCC[C@H]1C(N)=O 2356290428 SDBPCTBVNUFDHN-SKDRFNHKSA-N 363.801 2.138 0 1 FEAF O=C(Nc1cnn(S(=O)(=O)c2ccc(F)c(F)c2)c1)c1nccs1 116776319 MALJLFZWTDICFC-UHFFFAOYSA-N 370.362 2.107 0 1 FEAF CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)[C@H]3CCOC3)CC2)no1 71330094 ADIUSHICVCCMIJ-ZDUSSCGKSA-N 364.446 2.075 0 1 FEAF C[C@@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3(C[C@H]4CO)[C@@H](O)[C@@H](O)[C@@H]12 85932409 FQXFNQBHZJYODR-JQUSEUMXSA-N 352.471 2.034 0 1 FEAF in-man NCCCNCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 45350700 MEPBJPMZEPXRJT-UHFFFAOYSA-N 354.406 2.483 0 1 FEAF CCCCCCNC(=O)[C@@H](N)CCC[C@H](N)C(=O)NCCCCCC 45187273 JSMOJFLNBGJRIR-IRXDYDNUSA-N 356.555 2.204 0 1 FEAF C[C@@H]1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@H]1C(=O)OC[C@H]1O 96935360 LNWUDQLCSLNXLR-FGZWMWCWSA-N 354.487 2.122 0 1 FEAF COCCNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]2N1C 263591782 MZZDTQXXKZJNQU-SNRMKQJTSA-N 364.449 2.327 0 3 FEAF O=C1N(Cc2ccccc2)c2ccc(F)cc2[C@@]12Cn1nncc1CO2 473091865 ZMCZZMQZYAFEAJ-IBGZPJMESA-N 350.353 2.390 0 1 FEAF COc1cc(Cl)cc(C=O)c1OCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587065527 SWOCPLZEAFOACS-UHFFFAOYSA-N 368.180 2.424 0 1 FEAF COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3COCCO3)nc2c1 586911509 ZRIRLCDCTKMYSL-SECBINFHSA-N 355.188 2.070 0 1 FEAF Cc1[nH]nc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1Br 962897963 NZAAFOKYYNCQJT-JQWIXIFHSA-N 354.179 2.308 0 1 FEAF FC(F)(F)[C@@H]1CN(c2nc(-c3ccncc3)nc3cnccc23)CCN1 224046109 NCWUWMQIMGPXQR-AWEZNQCLSA-N 360.343 2.427 0 1 FEAF O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 1857611350 QRHGYABXBVODEX-SFHVURJKSA-N 372.396 2.179 0 1 FEAF C[C@@]1(C(=O)O)[C@H]2CC[C@H]3C[C@H]4C[C@]3(CC[C@@]4(O)C(=O)O)[C@]2(C)CC[C@H]1O 2356324906 LYFNKMIDRMKGMD-QSAFDNQXSA-N 366.454 2.270 0 1 FEAF CC1CCN(c2ccc3nnc(CCC(=O)Nc4ccccn4)n3n2)CC1 6867831 ZNMZBQNRLVLOGF-UHFFFAOYSA-N 365.441 2.327 0 3 FEAF CC(C)Oc1ccc(CNS(=O)(=O)c2csc(C(N)=O)c2)cc1 7006323 RERFSTAHIRZMMD-UHFFFAOYSA-N 354.453 2.113 0 3 FEAF O=C(O)c1cn(C2CC2)c2cc(N3C[C@@H]4CC[C@@H]3CN4)c(F)cc2c1=O 100963743 JGNYZYABUWGSJV-CMPLNLGQSA-N 357.385 2.114 0 1 FEAF COc1cc(CC(=O)Nc2cnn(Cc3c(C)noc3C)c2)ccc1O 115731620 YJSYGJLWYVDMNX-UHFFFAOYSA-N 356.382 2.432 0 1 FEAF CC1(CN)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 27408888 LFUFXWPGZKTTHK-UHFFFAOYSA-N 363.364 2.098 0 1 FEAF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@H](C)[C@@H](O)C[C@H](C1)[C@@H]23 238767583 LHNRZSVXQWMCJY-JNZLNSCCSA-N 354.450 2.272 0 1 FEAF COc1ccc(N2C(=O)[C@H]3NCC[C@@H]3N(Cc3ccccc3)C2=O)cc1 25229536 GUXCBCGANTVRFP-ROUUACIJSA-N 351.406 2.395 0 1 FEAF biogenic O=C(Cc1cccs1)N1C[C@H]2COC[C@@]2(COCc2cccnc2)C1 299842951 KXBRZBYQNVUCIL-LPHOPBHVSA-N 358.463 2.377 0 1 FEAF Cc1csc(NC(=O)c2cc(O)cc(Oc3cnc(O)nc3O)c2)n1 299851189 AXNPHQPVZJJHQL-UHFFFAOYSA-N 360.351 2.403 0 1 FEAF C[C@](CC(N)=O)(NC(=O)c1cc(OCC(F)F)c(C2CC2)cn1)C1CC1 146272055 WZTXXAFHTBEVGQ-GOSISDBHSA-N 367.396 2.377 0 1 FEAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1 587177614 QHHICOPSYBRCTB-UHFFFAOYSA-N 359.386 2.496 0 1 FEAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586964087 UMUKAAHGBYEKGC-ZCFIWIBFSA-N 351.823 2.418 0 1 FEAF CNc1nccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587741561 HTBKJDVTQGGRIN-CLAHSXSESA-N 351.223 3.044 0 1 FEAF COc1ccc(Cn2c(C(N)=O)cc3c2-c2nc(N)ncc2CCC3)cc1 1772610579 XZSDHBXXMNUDDY-UHFFFAOYSA-N 363.421 2.172 0 1 FEAF COc1ccc([C@@H]2OC[C@]3(O)[C@@H](c4ccc(OC)c(O)c4)OC[C@H]23)cc1O 2356456573 JNNJGAAXLBQGKG-ZNYHDOEXSA-N 374.389 2.305 0 1 FEAF O=C1COc2c(N3CCNCC3)cc(F)cc2N1Cc1ccccc1F 3948886 BVKBRGPQQCDSJY-UHFFFAOYSA-N 359.376 2.300 0 1 FEAF CC[C@H]1[C@@H](O)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F 27419501 OFMQQLSUVUSACL-STQMWFEESA-N 364.348 2.272 0 1 FEAF O[C@@H](CNCCOc1ccc(-n2ccnc2)cc1)COc1ccccc1 26737280 XMLOXOFMPHIHFN-SFHVURJKSA-N 353.422 2.281 0 1 FEAF C[C@@H]1COc2c(N3CCSCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 29127129 CLDPKXMUBSNGSL-SECBINFHSA-N 364.398 2.345 0 1 FEAF CC(C)NC(=O)c1cc(Br)ccc1NC(=O)CCC(=O)O 29044761 YOBCXDGEKURFCR-UHFFFAOYSA-N 357.204 2.391 0 1 FEAF CC(C)(O)C(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 218946102 DFBWLVBLQHXUEI-UHFFFAOYSA-N 352.434 2.409 0 1 FEAF CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](C)N2 82207254 HRVVFCPRJLMWHL-ZDUSSCGKSA-N 360.433 2.469 0 1 FEAF CC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1 223690693 QQGOVVZRZPRNHU-UHFFFAOYSA-N 368.466 2.029 0 1 FEAF CCOC(=O)CNc1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587226267 XVQJZGSUOOMTSI-UHFFFAOYSA-N 363.381 2.181 0 1 FEAF CC(C)(C)OC(=O)N1C[C@@H]2Cc3cc4c(O)nc(O)nc4nc3C[C@H]2C1 587557979 NTQYEMKNJCDOSK-QWRGUYRKSA-N 358.398 2.018 0 1 FEAF O=C(N[C@H](Cc1nc2ccc(O)cc2[nH]1)C(=O)O)OCc1ccccc1 587202444 IGKOYTDPURSPGY-OAHLLOKOSA-N 355.350 2.191 0 1 FEAF COc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cn1 586922711 RLOQHIBVZNATQD-UHFFFAOYSA-N 357.435 2.472 0 1 FEAF NC[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 5932765 AZURXMGITRDFMD-SECBINFHSA-N 363.364 2.098 0 1 FEAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCC[C@H]2C(=O)NC2CCCCC2)cc1 13807988 OJNILJCGKCPLOC-QZTJIDSGSA-N 370.497 2.452 0 1 FEAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NC[C@H](O)CO)cc1 774458 OZYZIJMVIBSXHA-ZDUSSCGKSA-N 374.418 2.162 0 1 FEAF CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1COCC1=O 3994896 KRNDNQGPEAXVIV-ROUUACIJSA-N 368.433 2.068 0 1 FEAF CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 101242618 QSHCQTGDQZFNSO-OLMMMNRUSA-N 360.841 2.147 0 1 FEAF CC=C1CN(C)[C@H]2C[C@@H]3[C@H](N[C@@H]4CCCC[C@@H]34)C(=O)C[C@H]1[C@H]2C(=O)OC 2356486705 AYJGPXFEPLVVNT-WNCFVXBCSA-N 360.498 2.162 0 1 FEAF COC(=O)[C@@H]1C[C@@]23CCC(=O)N4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 2356623660 JPHKISFVGIVFBD-MBOWVQHQSA-N 352.434 2.457 0 1 FEAF COc1cccc(CN[C@H]2CCC[C@@H](C(=O)NC3CC3)CC(=O)N(C)C2)c1 2356735080 UYWBUGLCUYOKCK-AEFFLSMTSA-N 373.497 2.081 0 1 FEAF O=C1CO[C@H]2CN(Cc3c[nH]c4ccccc34)C[C@@H]2N1Cc1cccnc1 2356774125 RDHYKUJEDDXRJQ-PMACEKPBSA-N 362.433 2.175 0 1 FEAF CC(C)NC(=O)c1nnc2n1CCN(C(=O)c1ccc(C(C)C)cc1)C2 74376293 FETPLJVHOWKSJY-UHFFFAOYSA-N 355.442 2.196 0 3 FEAF CC(=O)Nc1nc(C)c(-c2csc(NCCN3CCOCC3)n2)s1 136356801 VACHZOKSFRJYPC-UHFFFAOYSA-N 367.500 2.278 0 1 FEAF O=C1C[C@@H](O)[C@]23Oc4ccc(O)c5c4[C@](CCC5=O)(Oc4cccc1c42)O3 143143028 AVMACGCGOJSYTD-CDHQVMDDSA-N 366.325 2.123 0 1 FEAF O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 299872931 LEYDICLFDRATGQ-SZMVWBNQSA-N 362.445 2.027 0 1 FEAF COC(=O)CC[C@H](N)c1nc2cccc(I)c2[nH]1 587260510 XXFKSPHUIUDPBN-QMMMGPOBSA-N 359.167 2.121 0 1 FEAF COC(=O)c1cc2[nH]c(-c3ccc(CC(=O)O)c(N)c3)nc2cc1OC 587249901 PQRJYXURDGXQGF-UHFFFAOYSA-N 355.350 2.234 0 1 FEAF Cc1c(O)ccc2c1[C@H](c1cnn(-c3ccc(F)cc3)n1)N[C@H](C(=O)O)C2 963523535 ILZSUSUCMAYHRX-KSSFIOAISA-N 368.368 2.109 0 1 FEAF CN(C)C(=O)C[C@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962671973 SNSLPGADOBSGEZ-UXHICEINSA-N 355.438 2.027 0 1 FEAF CCN1C(=O)[C@@]2(NCCc3ccc(C(=O)N(C)C)cc32)c2cc(F)ccc21 962939482 ZEKILWDDLRSUAF-NRFANRHFSA-N 367.424 2.283 0 1 FEAF CCn1c2c(c(O)nc1=O)[C@@H](c1ccc(C)cc1)C(C(=O)OC)=C(C)N2 1772612991 HUNYLEOCQMWUJR-AWEZNQCLSA-N 355.394 2.282 0 1 FEAF NC(=O)c1cccc2[nH]c(C(=O)N3CCC(NC4CCCCC4)CC3)nc12 1772616162 YMUNFZQDIUAGFL-UHFFFAOYSA-N 369.469 2.189 0 1 FEAF C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cn1)C(F)(F)F 13760247 SLMMALQKIRTOFC-AWEZNQCLSA-N 374.340 2.166 0 1 FEAF O=C(NC1CC1)c1ccc(OCc2conc2[C@@H]2CC[C@H](F)CN2)nc1 169685451 GKERFUDNQOHVJH-ZFWWWQNUSA-N 360.389 2.303 0 1 FEAF CC(C)(CO)NC(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166007557 UEYJWRCDFKIIKF-UHFFFAOYSA-N 354.410 2.130 0 1 FEAF O=C1N(C2CCOCC2)C[C@@H]2CN(Cc3cnc4ccccc4c3)CCN12 2356301563 WVMFNPMPNLHBOR-IBGZPJMESA-N 366.465 2.336 0 1 FEAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(CN4CCCCC4)cc3)C[C@H]12 3789120 NNVYAOMYBXZGNY-FSPWUOQZSA-N 370.449 2.080 0 1 FEAF COc1ccc(CN(C)c2ccc3nc(N)nc(N)c3c2)c(OC)c1OC 3814865 DDNUPTARUMYNAL-UHFFFAOYSA-N 369.425 2.456 0 1 FEAF CCCCN(CC)CCNC(=O)Cn1ncc2c3ccccc3nc-2c1O 103536002 YIZJNGGYCBNASB-UHFFFAOYSA-N 369.469 2.480 0 1 FEAF Nc1[nH]cnc2c(CN3C[C@H](O)[C@H](CSCc4ccccc4)C3)cnc1-2 101025355 GOJSQVMCDGVZQI-HOTGVXAUSA-N 369.494 2.218 0 1 FEAF O[C@H]1[C@H](O)CO[C@@H](n2cc(Cc3ccccc3)c3c(Cl)cccc32)[C@@H]1O 66111773 JJVUFAPKTCYOPK-GSEOLPGOSA-N 373.836 2.497 0 1 FEAF c1cc(-c2nnc(-c3ccc(C4=NCCN4)cc3)o2)ccc1C1=NCCN1 27651202 BVGRKZNQMICFNX-UHFFFAOYSA-N 358.405 2.103 0 1 FEAF CC(C)[C@]1(O)CC[C@@H]2C(=C[C@H](O)[C@@H]3[C@](C)(C(=O)O)CCC[C@]23C)[C@@H]1O 2356521960 SECUAKPOJHKDJF-DZAVYMGKSA-N 352.471 2.343 0 1 FEAF C[C@@H](O)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356536140 GDKXZPQRUWPQMV-MXKIJULZSA-N 352.515 2.329 0 1 FEAF Cc1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(Cl)cc2)n1 2356624331 AVYNEWQZTJGZME-WJFTUGDTSA-N 361.873 2.129 0 1 FEAF Nc1ncnc2c1ccn2[C@H]1CN(Cc2ccc(Cl)cc2)C[C@@H](CO)O1 61905752 ZCKYRAQAOTZOMQ-GOEBONIOSA-N 373.844 2.059 0 3 FEAF NC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)Nc3nccs3)cc12 84668617 BNGYTNLZEGJRDT-UHFFFAOYSA-N 373.419 2.072 0 1 FEAF Cc1cnc(N)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1 89469441 NEYSWHMVKOLGHP-OAHLLOKOSA-N 371.828 2.479 0 1 FEAF COc1ccc2cc3n(cc-2c1=NCCO)CCc1cc2c(cc1-3)OCO2 377810675 SAFAXPWIOHYAQG-UHFFFAOYSA-N 364.401 2.446 0 1 FEAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc3c(c2[nH]1)CCCC3 586939875 SRYOAUBMPIZPHH-NSHDSACASA-N 359.455 2.215 0 1 FEAF CN(C)[C@H]1CCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1 19638492 NUMYRJQRQRIYQQ-INIZCTEOSA-N 368.547 2.003 0 1 FEAF C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]3[C@H]4CO[C@@H]3O[C@@]12[C@H](O)O4 200390691 RDZXKBCQYWCSCU-YBIBVBRTSA-N 362.466 2.359 0 1 FEAF Cc1c(-c2cc(=O)n3[nH]c(=O)c(-c4ccccn4)c3[nH]2)ccc2c1OCO2 204407264 UZUMIGLOMBBYEV-UHFFFAOYSA-N 362.345 2.082 0 1 FEAF COc1ccc(-c2cccc(Nc3cc(=O)n(O)c(=O)n3C)c2)c(OC)c1 1857576598 MZRNYYBXGJIEKS-UHFFFAOYSA-N 369.377 2.212 0 1 FEAF O=c1[nH]c(=O)n(COCCOCc2ccccc2)cc1Nc1ccccc1 1861494 QEFGDUZWHOTZBJ-UHFFFAOYSA-N 367.405 2.471 0 1 FEAF CC(=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O)CO 2356406985 MSWOYPGTQZJKQY-VQTJNVASSA-N 372.373 2.093 0 1 FEAF O=C(NC[C@@H](O)N(CCO)C1CCCC1)c1cc2cc(Cl)ccc2[nH]1 53683779 VXABTOCIIZSEPD-QGZVFWFLSA-N 365.861 2.106 0 1 FEAF in-vivo Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)cc1)C1=C(O)CCCC1=N2 100703187 QYDLRFVNIHNQSH-CQSZACIVSA-N 353.378 2.004 0 1 FEAF CC(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 103889593 LRLGDDPSXAXIHY-YESZJQIVSA-N 373.563 2.083 0 1 FEAF CC[C@@H]1CCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28891885 VQLFBCKOXXZMFC-SJORKVTESA-N 362.495 2.353 0 1 FEAF COC(=O)c1cc(OC)c2c(c1)[C@@H](CO)[C@@H](c1ccc3c(c1)OCO3)O2 2356624341 VRLLQDATJITICB-CXAGYDPISA-N 358.346 2.420 0 1 FEAF CC(C)(C)OC(=O)N1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O 72174919 OJQTZJBNVNRCTH-OAHLLOKOSA-N 369.462 2.415 0 1 FEAF COc1ccc(Oc2nc(NCc3ccco3)nc(N(C)CCO)n2)cc1 82066392 PEZOPYBFRDBDRK-UHFFFAOYSA-N 371.397 2.306 0 1 FEAF CCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)C(=O)COC 95895133 FGZZSXPQOAVEPM-ONTIZHBOSA-N 368.477 2.265 0 1 FEAF Nc1ncc(-c2ccc(C3(c4noc(-c5ccnnc5)n4)CCC3)cn2)cn1 96175509 OICPAXORCQCMAA-UHFFFAOYSA-N 372.392 2.431 0 1 FEAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(C(=O)OC)nc3[nH]2)c1 586922075 QBIRVAOTUNIVBH-UHFFFAOYSA-N 359.407 2.129 0 1 FEAF COC(=O)[C@@H]1CNCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587791505 GBFBRCSDNYHZPQ-RCAYSMOQSA-N 371.250 2.100 0 1 FEAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1 587786885 SENQEOLNAHDMAV-QWHCGFSZSA-N 371.418 2.154 0 1 FEAF Nc1ccnc2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc12 586954951 JQTCYRGCHGNZLJ-UHFFFAOYSA-N 363.830 2.255 0 1 FEAF O=C(N[C@H]1C[C@H](C(=O)NCc2ccccc2)C1)N1Cc2ccncc2C1 1772573378 CDNSDKNSBYAQRY-SAABIXHNSA-N 350.422 2.202 0 1 FEAF COCCN1Cc2cccc(C(=O)NCc3ccc(OC)cc3)c2C1=O 5005873 WMHSQMIDPIDWEV-UHFFFAOYSA-N 354.406 2.227 0 1 FEAF O=C(O)[C@@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1ccccc1 13807264 KENABUKLZKAHBP-HOTGVXAUSA-N 356.426 2.484 0 1 FEAF CN1c2ccccc2C(=O)[C@@H](C(=O)Nc2cccc(Cl)c2)S1(=O)=O 17720333 MURQOCGMNPLCPE-HNNXBMFYSA-N 364.810 2.310 0 1 FEAF CC(=O)[C@]1(C(=O)N2CCOCC2)CC(c2ccccc2C(F)(F)F)=NO1 203474298 BJBLVOPTFWPERU-INIZCTEOSA-N 370.327 2.016 0 3 FEAF N=c1[nH]c2nc(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2[nH]1 1857610859 IRUPMGAJMKZLLI-UHFFFAOYSA-N 360.215 2.061 0 1 FEAF O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)NC1CCCCCC1 6936062 LKYLERUSWKTGHK-UHFFFAOYSA-N 357.458 2.158 0 1 FEAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ncccn3)sc12 64560330 GFJSJSNXQIRIIS-JTQLQIEISA-N 354.439 2.016 0 1 FEAF CCC(CC)CNc1c2n(c(=O)n(CCOC)c1=O)[C@@H]1CCCC[C@H]1N2 82205820 MOZAVPGHAFZBOU-HUUCEWRRSA-N 364.490 2.414 0 1 FEAF COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(N)c2cc1OC 82131862 NIYRTOYVAVGXTD-HNNXBMFYSA-N 354.410 2.399 0 1 FEAF C[C@]12CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]1CC[C@]13C[C@H](CC[C@@H]12)[C@](O)(CO)C3 238773488 GBVSUOGDPKMXFY-MVKFTRDFSA-N 352.471 2.178 0 1 FEAF COCCN1CCC[C@@]2(CCN(Cc3noc(C4CCCC4)n3)C2)C1=O 91942971 NYYKAUWFTWGCIQ-IBGZPJMESA-N 362.474 2.188 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](C(=O)O)NC2)N1 587794295 LTRMMVRXAGGVGG-UQHVFFSPSA-N 357.223 2.154 0 1 FEAF COc1ccc2c3c1O[C@H]1C(=O)CC[C@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@@]314 169367590 ZBAQMFALLMLPSC-YCZSINBZSA-N 369.461 2.219 0 1 FEAF CNc1nc(Nc2ccc(C(=O)NCCCN)cc2OC)ncc1Cl 169705037 ZECRWOAJWSRZPL-UHFFFAOYSA-N 364.837 2.003 0 1 FEAF COC[C@@H](C)NC(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166999857 PAZLERJGBJMLAZ-CYBMUJFWSA-N 354.410 2.394 0 1 FEAF CCC(=O)[C@@H](C)[C@@]1(O)C(=O)c2c(O)cc(C)c3c(OC)cc(O)c(c23)C1=O 1857645860 LZWUPSJLPSHLRU-GSDQLPOLSA-N 372.373 2.293 0 1 FEAF C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)[C@@H](C)[C@H](C)O)C(C)=CCC[C@@]1(C)O[C@H]21 253668051 MPNJUHHXWPDZRT-FMUADVRHSA-N 364.438 2.301 0 1 FEAF O=C(N[C@@H]1C(=O)N(c2ccccc2)C[C@@H]1C(=O)O)c1cc2ccccc2[nH]1 28251829 UAKPKMPDGGVRLK-YOEHRIQHSA-N 363.373 2.014 0 1 FEAF O=C(Cn1[nH]cc2c3ccccc3nc-2c1=O)N1CCc2ccccc2C1 103711195 ZWGUIFBIBWBZQP-UHFFFAOYSA-N 358.401 2.414 0 3 FEAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)C[C@H]2O[C@H]21 26475614 HWZODOOORTWWEA-FMFSFEKDSA-N 365.451 2.322 0 1 FEAF COC(=O)C[C@@]1(CCN(C)C)OC(=O)c2c1ccc1ccc(OC)c(O)c21 13307417 IBXDTFMCUXUXPS-HXUWFJFHSA-N 373.405 2.435 0 1 FEAF biogenic COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2O)cc1 96914502 YGYGTUJUNSUHRW-UHFFFAOYSA-N 358.354 2.069 0 1 FEAF O=C(OCc1ccccc1)N1CCc2cc3c(O)nc(O)nc3nc2CC1 587559305 XCNSODZEZJMZOV-UHFFFAOYSA-N 366.377 2.173 0 1 FEAF C[C@@H](Oc1ccc(CCc2ccc3c(O)nc(O)nc3n2)cc1)C(=O)O 587556568 WNLYNPURUQCODN-SNVBAGLBSA-N 355.350 2.073 0 1 FEAF CCOC(=O)C(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599598 YERYBJNWYMCRLG-AUUYWEPGSA-N 356.330 2.245 0 1 FEAF CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@]23C=C[C@H]1O3 13142888 BJLOPVKFECOISX-NEYJZJCJSA-N 355.434 2.354 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](C)N[C@@H](C)C3)c(F)c21 13649583 WECBMEAZEQONMK-UWVGGRQHSA-N 365.380 2.184 0 1 FEAF CC[C@@H](C(=O)Oc1c(OC)cc(C)cc1OC)N(CCOC)CCOC 13864509 GKRFHHRXDUACIN-HNNXBMFYSA-N 369.458 2.291 0 1 FEAF Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)c1 169308322 PZCQORPULJWJRQ-QWHCGFSZSA-N 355.446 2.013 0 1 FEAF COc1ccc(CN2C[C@H]3CN(C(=O)NC(C)C)CCN3C(C)(C)C2)cc1 2356303210 NHPKYLDTKDRAKD-SFHVURJKSA-N 374.529 2.394 0 1 FEAF O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NC1CCCC1 2966834 WSPJGVILKHNOQV-CQSZACIVSA-N 356.451 2.193 0 1 FEAF CC[C@H](C)N(CC(=O)NCc1ccc(OC)cc1)C(=O)c1csnn1 4965206 CFAQSQUURJCGNX-LBPRGKRZSA-N 362.455 2.104 0 3 FEAF COC(=O)[C@@]1(c2ccc(C)cc2)C[C@H]1CN1CCN(c2ncccn2)CC1 28636751 YDIFERBWWDDTIR-GHTZIAJQSA-N 366.465 2.038 0 1 FEAF COc1c(C)c2c(c(O)c1C/C=C(\C)COCP(=O)(O)O)C(=O)OC2 36338568 UGCNBZQMMLZPQQ-RUDMXATFSA-N 372.310 2.020 0 1 FEAF COc1ccc(C(=O)NCCCCC(=O)Nc2ccccc2N)c(OC)n1 117582171 AUAGXNJWVBGWLW-UHFFFAOYSA-N 372.425 2.220 0 1 FEAF CCCCN1CCC[C@@H]1CNC(=O)c1cc(S(C)(=O)=O)ccc1OC 28758515 LFSXFRQWXYWBKC-CQSZACIVSA-N 368.499 2.093 0 1 FEAF COC(=O)C1=C(C)N(CC[C@@H](C)O)C(=O)N(C(C)=O)[C@H]1c1ccccc1 38142402 PUCNFVPQXONYBI-PXAZEXFGSA-N 360.410 2.230 0 1 FEAF COc1ccc2c(c1)CN(S(=O)(=O)Nc1cccnc1)CCS2 35283933 HYZKPHGCQVZXAB-UHFFFAOYSA-N 351.453 2.355 0 1 FEAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 586949380 UTNGRKJUTVVLEX-UHFFFAOYSA-N 357.395 2.107 0 1 FEAF Cc1c(Cl)ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 586938414 JLISAWSBWIDZMK-VIFPVBQESA-N 353.835 2.298 0 1 FEAF CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(CC(=O)O)C(=O)C1)CC2=O 587478512 SIYOPMPABIYMKC-LJQANCHMSA-N 359.378 2.269 0 1 FEAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2nc(Cl)c[nH]c-2n1 587194087 KYAOOFLQURMDKO-VIFPVBQESA-N 354.842 2.475 0 1 FEAF Cn1nccc1CS(=O)(=O)Cc1nc2c(Cl)cnc(Cl)c2[nH]1 586921043 BGCVURIETPZZTQ-UHFFFAOYSA-N 360.226 2.113 0 1 FEAF O=[S@](Cc1nc2cc(I)cnc2[nH]1)CC1CC1 586960229 VMFKKSCNVIZJHH-KRWDZBQOSA-N 361.208 2.221 0 1 FEAF Nc1ccnc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 587113316 HBGVQGGZIKIPSG-UHFFFAOYSA-N 360.303 2.261 0 1 FEAF Nc1ncnc2c(CN3C[C@H](CSCc4ccccc4)[C@@H](O)C3)c[nH]c12 13647999 DIGGNILBPCEZIV-CVEARBPZSA-N 369.494 2.266 0 1 FEAF in-vivo CCCCc1ccc(NC(=O)C(=O)OCC)cc1NC(=O)C(=O)OCC 169316022 YMNHXCDIWOKFCZ-UHFFFAOYSA-N 364.398 2.032 0 1 FEAF OC[C@H]1CCCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2c[nH]nc2n1 169702556 YKDFQYJWKSLGGG-LLVKDONJSA-N 354.418 2.048 0 1 FEAF O=C1NC(=O)[C@@]2(CCCc3ccccc32)N1S(=O)(=O)c1ccc(F)cc1 1857552518 HFXHDSJNJKVJNB-SFHVURJKSA-N 374.393 2.298 0 1 FEAF O=C(O)c1cccc(N2CCN(C(=O)COc3ccccc3F)CC2)c1 1857560930 DKXAHKAGBYTECK-UHFFFAOYSA-N 358.369 2.252 0 1 FEAF Cc1ccc(CN2C[C@@H]3C[C@H](C(=O)NCc4cccnc4)[C@H](C2)O3)cc1 1857612215 YNJGZFJFNBALSR-UFYCRDLUSA-N 351.450 2.296 0 1 FEAF CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc2ccccc2n1C 1857757198 HGAMJUVHAJCPTG-INIZCTEOSA-N 368.437 2.373 0 1 FEAF CC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 71281274 YMOJMSSSDLYCBT-UHFFFAOYSA-N 350.835 2.157 0 1 FEAF O=P(O)(O)[C@@H](Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)O 40872814 QZTDQEVQGQAOKB-CQSZACIVSA-N 358.308 2.413 0 1 FEAF in-vitro NC(=O)N1CCCc2cc(-c3cncc(C(=O)N4CCCC4)c3)cnc21 221461281 ACXFPBRXQMOYRJ-UHFFFAOYSA-N 351.410 2.211 0 1 FEAF O=C(C(=O)N1CCN(C(=O)C2CCC2)CC1)c1cccc(C(F)(F)F)c1 199719604 ZJCJVGRHJIPAPE-UHFFFAOYSA-N 368.355 2.359 0 3 FEAF O=S(=O)(c1ccccc1)c1cc(CCO)c2oc3c(c2c1)CNCC3 143620011 VJJJEXHHCADDBL-UHFFFAOYSA-N 357.431 2.446 0 1 FEAF NC(=O)c1ccc(N[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c2cncnc12 143746358 QXQBUHCSEYQBBD-RDTXWAMCSA-N 365.412 2.425 0 1 FEAF CC(=O)NC[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(C)=O 95895106 LKMXYQNMWFUTMA-ACRUOGEOSA-N 370.424 2.304 0 1 FEAF C[C@@H](O)[C@H]1CC[C@]2(O)[C@]3(O)C[C@@H](O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C 96903603 YMAXHUPCQQAPPC-OKGXHQFUSA-N 350.499 2.227 0 1 FEAF CCOC(=O)C1CCN(C(=O)CNC(=O)Nc2ccccc2Cl)CC1 149228557 DXUYABVTGDXSPE-UHFFFAOYSA-N 367.833 2.263 0 1 FEAF NC(=O)c1ccc(N2CC[C@H](c3ccc(F)cc3)[C@@H](N)C2)c2cncnc12 143717065 ISSHDEMQWJANGA-PBHICJAKSA-N 365.412 2.189 0 1 FEAF COc1cc(Br)c([C@@H](N)c2nc3cncnc3[nH]2)cc1OC 586975615 OHMUIJLFOVOYPK-GFCCVEGCSA-N 364.203 2.181 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ncnc2O)N1 587779107 QFRYVAYJIMGIGE-QTTZVWFDSA-N 354.179 2.413 0 1 FEAF CC1=C([C@@]2(C)NCCc3c2c(C(C)C)nn3C)[C@@H](C)n2ncnc2N1C 962919473 KSCFMJCYVZPBOH-BFUOFWGJSA-N 355.490 2.481 0 1 FEAF CCOC(=O)C1=CN(C)C(=O)C[C@]12c1ccc(F)cc1C[C@H]1CCCN12 963112092 WOIGTUBJRMXDGI-QRWLVFNGSA-N 358.413 2.351 0 1 FEAF Cn1cc(-c2cc3nccnc3c(OC[C@H]3CNCCC3(F)F)n2)cn1 203749702 WFOLLQWDLJNOGD-GFCCVEGCSA-N 360.368 2.049 0 1 FEAF CCOC(=O)c1[nH]c2ccc(CC[C@H]3COC(=O)N3)cc2c1CCN(C)C 13605908 DZFQSBDQYGMWJX-AWEZNQCLSA-N 373.453 2.490 0 1 FEAF COc1ccccc1[C@@H]1[C@H](C(=O)c2ccccc2)C(=O)C(=O)N1C[C@@H](C)O 169687304 XGERDGWLTOVYBC-FSPWUOQZSA-N 367.401 2.028 0 1 FEAF O=C(NC1CCCCC1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 1202603709 PLLWVDQJOGMYSS-UHFFFAOYSA-N 356.470 2.457 0 1 FEAF OC[C@@H]1[C@H](O)C[C@@H](NC2CCC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356286800 AEBVDLZPPSAPCK-IYWMVGAKSA-N 353.466 2.186 0 1 FEAF C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1c1ccc(N2CCOCC2)cc1 117385155 AKTXWCQUUJBHMH-CYBMUJFWSA-N 351.406 2.344 0 1 FEAF CCCN1C(=O)[C@H]2[C@H](CCN2C(=O)C2CC2)N(Cc2cccs2)C1=O 25410122 PSQNQFODHWOWGF-LSDHHAIUSA-N 361.467 2.302 0 1 FEAF biogenic CC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H](OC(=O)C(=CCO)CO)CC(C)=CCC1 2356611314 RYZYAGBFMJKAJG-SPUZQDLCSA-N 364.438 2.063 0 1 FEAF O=C(CNC(=O)c1ccc(F)cc1)N[C@@H](c1ccccc1)c1cccnn1 40917598 BESWAUVYRXNIKU-IBGZPJMESA-N 364.380 2.251 0 1 FEAF COc1cc(C[C@@H]2C(=O)OC[C@H]2C(=O)c2ccc(O)c(OC)c2)ccc1O 14646839 VBBXDTGECAKSAY-UONOGXRCSA-N 372.373 2.330 0 1 FEAF biogenic Cc1nc2cc(OCc3cc(C(=O)N4CCNCC4)no3)ccc2s1 45255898 INCYIOVXSGQYKO-UHFFFAOYSA-N 358.423 2.217 0 1 FEAF CS(=O)(=O)c1ccc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)nc1 145398035 ZCEUQTPCLMOQAN-UHFFFAOYSA-N 355.379 2.266 0 1 FEAF COc1cc2nc(NC[C@H]3CCCO3)nc(NC[C@@H](C)O)c2cc1OC 82129826 DPYSTAMMPMCRIT-VXGBXAGGSA-N 362.430 2.031 0 1 FEAF C[C@@]12CCC[C@@]34[C@H]1C(=O)C[C@@]15C[C@@](C)(O)[C@@H](C[C@@H]1[C@H]3N(CCO)C2)C[C@H]54 95918719 VECNWVPULQDULP-MLTVLEHFSA-N 359.510 2.226 0 1 FEAF biogenic,in-vitro COc1ccccc1C(=O)Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 653837902 LRUHZAAYPOAFCU-UHFFFAOYSA-N 354.410 2.204 0 1 FEAF Cc1c(C)c(O)n(-c2nn(-c3ncccn3)cc2Br)c1O 587938990 GLONYNVEYVJNAI-UHFFFAOYSA-N 350.176 2.244 0 1 FEAF CCOC(=O)C[C@@]1(c2cnccn2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963605648 GUCMFJPUAABUJH-XCLFUZPHSA-N 371.437 2.225 0 1 FEAF O=C(O)[C@](F)(Cc1cnc2c(-c3ccccc3)cccn12)P(=O)(O)O 1772638013 IPNHABAYOCFCFJ-INIZCTEOSA-N 364.269 2.472 0 1 FEAF COC(=O)c1cc2sc(Cl)cc2n1CC(=O)NC[C@@H]1CCCO1 5084934 JDSZLDDNALHLGM-VIFPVBQESA-N 356.831 2.438 0 3 FEAF CCOC(=O)C1=C(NC(=O)CCNC(C)=O)Nc2ccccc2N=C1CC 13685348 VUIDGATZCXRVOE-UHFFFAOYSA-N 372.425 2.012 0 1 FEAF CCOC(=O)Cc1cc(O)n2nc(NCc3ccc(SC)cc3)nc2n1 15668966 DQIGYAXJXZMUOQ-UHFFFAOYSA-N 373.438 2.270 0 1 FEAF Cc1ccnc(OC[C@H]2CN(CC(=O)N3CCc4ccccc43)CCO2)c1 205505343 QBMBRZQSSOYRMY-GOSISDBHSA-N 367.449 2.059 0 1 FEAF N=c1[nH]c(COc2cccc(OCC(=O)O)c2)c(-c2ccccc2)c(=N)[nH]1 1857559097 KCBHHLQJJKYRHA-UHFFFAOYSA-N 366.377 2.011 0 1 FEAF Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)OC34CCCCC4)C2)cc(=O)[nH]1 23153366 UHDSVMZVOPEHNZ-GJZGRUSLSA-N 373.453 2.050 0 1 FEAF CC(C)[C@H]1[C@@H](OC(=O)[C@H](C)[C@@H](C)O)C[C@@H](C)C(=O)CC=C2C[C@H]1OC2=O 2356550580 XUKCXWUWJUJRFG-PCDCAKKOSA-N 366.454 2.428 0 1 FEAF COc1cccc2nc(C[C@H]3CN(C(=O)C4CC4)CC[C@@H]3CC(=O)O)[nH]c12 2356719053 NJKRKHAHORWAIH-KGLIPLIRSA-N 371.437 2.463 0 1 FEAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@@]23O)ccc1O 2356763873 WFZIOQOKIOIJHN-UOWJPWOOSA-N 372.373 2.320 0 1 FEAF CO[C@H]1O[C@@H](OC)C2=C1[C@@]1(C)CCCC(C)(C)[C@H]1[C@@H](OC(C)=O)[C@H]2O 2356786150 ZEDMMLGFFDFHCX-NHDVRJRVSA-N 354.443 2.397 0 1 FEAF CNC[C@@H]1CCN(C(=N)NC)C[C@@]12[C@H]1CC[C@H](C)[C@@]23CCC(C(=O)O)=C3C1 2356839620 LWJIWZZVVNGGQT-GEXCINKBSA-N 374.529 2.279 0 1 FEAF O=C(O)c1cn(Cc2ccc(-n3ccnc3)cc2)c2c(c1=O)[C@H](O)CCC2 49071259 MEJNGKCNDXJOBP-QGZVFWFLSA-N 365.389 2.150 0 1 FEAF COc1ccc(C(=O)N2CCN(Cc3nc(C)c(C)nc3C)CC2)cc1 40977073 MJYMOHFSHGTAMS-UHFFFAOYSA-N 354.454 2.368 0 1 FEAF C[C@@]12C(=CC[C@]34COC(=O)C3=CCC[C@@H]14)C(=O)O[C@H](c1ccoc1)[C@@H]2O 238749872 GYLOEZJWLQFGKI-RQQUZUBOSA-N 356.374 2.454 0 1 FEAF CC[C@]1(O)C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(C1)[C@H]24 85811738 CPNXQIOMUYAVKQ-PMVWVRLTSA-N 354.450 2.416 0 1 FEAF biogenic CC1(C)OC(=O)C[C@@H]1c1nc2cc(I)cnc2[nH]1 586910886 QMIRVJVTGVSVJM-SSDOTTSWSA-N 357.151 2.372 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCOCC4)s1)[C@@H](C2)C3=O 587450539 FVJYRAQIHGLDCD-YVEFUNNKSA-N 358.419 2.477 0 1 FEAF CCOC(=O)c1cc(Br)c2[nH]c(CC3OCCO3)nc2c1 586910872 SXVOGJQSVPWBHU-UHFFFAOYSA-N 355.188 2.418 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)CCC2=O)N1 587757701 BFGCVEJRZBZPRX-FVMDXXJSSA-N 369.234 2.487 0 1 FEAF CC(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C1 17257957 QEHFAHSIVHFASZ-MJBXVCDLSA-N 371.478 2.462 0 1 FEAF O=C(Nc1c(-c2ccc3c(c2)OCO3)n[nH]c1O)c1ccc2c(c1)OCO2 169305397 WPLAEDCQYSMTOM-UHFFFAOYSA-N 367.317 2.492 0 3 FEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1(CO)CC1 206112867 ZOMHLBUGVLLNLS-UHFFFAOYSA-N 363.421 2.156 0 1 FEAF COc1ccc(/C=C/c2cc(O)cc(OC(=O)C(C)(CO)CO)c2)cc1 1857768309 UNIPTRAZUADFCW-ONEGZZNKSA-N 358.390 2.468 0 1 FEAF O=C(NC1CCCC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 4675189 VXVAXTVQJBEBRG-YYAJDYIMSA-N 358.463 2.089 0 1 FEAF CCOC(=O)CS(=O)(=O)c1ccc(-c2ccc3c(c2)OCCO3)cc1 59110759 MMGOBONWEPAPTI-UHFFFAOYSA-N 362.403 2.462 0 1 FEAF Cc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2CCN(C)C)o1 100286776 FNAUEZJKFGUHLN-LSDHHAIUSA-N 360.435 2.163 0 1 FEAF COc1ccccc1C(=O)N1C[C@H](F)[C@@H](OCc2nc3cccnc3[nH]2)C1 2356302464 WCXKIMRYEWPEOW-BBRMVZONSA-N 370.384 2.346 0 1 FEAF COc1cc(/C=C/C(=O)O)ccc1NC(=O)c1cccc(NC(=N)N)c1 29248506 RCBNWZVCCWKUPD-SOFGYWHQSA-N 354.366 2.351 0 1 FEAF CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)C3CCCC3)C2)CC1 68245537 NTSQDFWSCSUPSQ-MRXNPFEDSA-N 351.491 2.378 0 1 FEAF COC(=O)C1=CO[C@H](C)[C@@H]2CCN3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3[C@H]12 2356684668 UNCUIOYXLHTFMA-VYZHTEKKSA-N 368.433 2.063 0 1 FEAF CC=C1CN2CC[C@@]34c5ccccc5N(C)[C@@]23C(=O)C[C@H]1[C@@H]4C(=O)OC 2356746334 OVWZWXBYBKIZDC-PZQWHJIPSA-N 352.434 2.114 0 1 FEAF O=Cc1ccc(OC[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 72116237 WEPPVVMXIFHLMC-SFHVURJKSA-N 359.332 2.336 0 1 FEAF CCc1nc(C(=O)N2CCC[C@@H]2C(=O)OCCc2ccccn2)cs1 82073544 SAAFXBLQWSVHNZ-OAHLLOKOSA-N 359.451 2.491 0 1 FEAF COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 95894666 MGHMIPQLSFYHQM-SBHAEUEKSA-N 352.434 2.009 0 1 FEAF CC(C)NC(=O)Nc1cccc2c1O[C@@H](CN(C)C)[C@H](C)CN(C)C2=O 95663496 MYMBASSDCIJSQK-CJNGLKHVSA-N 362.474 2.247 0 1 FEAF COc1ccc([C@@H]2c3ccc(O)cc3O[C@H]3NC(=S)N=C(N)[C@H]32)cc1 253917908 RAZRZXQECDYJLN-BFYDXBDKSA-N 355.419 2.113 0 1 FEAF O=C1COc2cc3[nH]c(CSc4nnc(S)s4)nc3cc2N1 587025003 HWZYGHZWKWXENU-UHFFFAOYSA-N 351.438 2.326 0 1 FEAF COc1cncc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 587162442 BETAKYMJJAHKRA-UHFFFAOYSA-N 353.357 2.384 0 1 FEAF Cn1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)n1 587648962 DVRXFZXVYHNJGA-UHFFFAOYSA-N 353.350 2.474 0 1 FEAF C[C@H](Sc1ncccn1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586963824 RAUPRSRCZBLQHQ-JTQLQIEISA-N 363.468 2.457 0 1 FEAF CN(C)S(=O)(=O)c1ccc(OCc2nc3c(Cl)ccnc3[nH]2)cc1 586931921 PSSVIJILEZELFR-UHFFFAOYSA-N 366.830 2.441 0 1 FEAF CC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)CSc2ncn[nH]2)cc1 5067601 INDNSVSRFMERPS-CYBMUJFWSA-N 364.427 2.016 0 3 FEAF NCCc1c[nH]c2ccc(C[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)cc12 13603459 GPKRXBDFZFQNCC-IBGZPJMESA-N 362.433 2.332 0 1 FEAF C[C@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccc(-n2cc(O)[nH]c2=O)cc1 169685085 BOTKWNMXPRFXFY-JTQLQIEISA-N 353.382 2.214 0 1 FEAF O=C1C=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[S@](=O)N1 1857551164 SOLZPTFXHPJQED-DEOSSOPVSA-N 372.427 2.013 0 1 FEAF COc1ccc(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)cc1 1857612347 RXOJHCKBULWXOV-UHFFFAOYSA-N 356.359 2.388 0 1 FEAF CC(=O)Nc1ccc2nc(O)n([C@@H](CC3CCCCC3)C(N)=O)c(=O)c2c1 1857621382 IWOJSADEARGZHQ-INIZCTEOSA-N 372.425 2.057 0 1 FEAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H](CC(=O)O)O3)cc1 3826471 SEQAMEBLAGCPKC-HNNXBMFYSA-N 353.378 2.391 0 1 FEAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2F)n1 2356289059 OVROJTCYYNQQHS-ONCXSQPRSA-N 373.472 2.429 0 1 FEAF CC(C)=CCN1CC[C@@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@]3(O)[C@H]1C5 2356435023 OHKCLOQPSLQCQR-RCOXNQKVSA-N 355.434 2.082 0 1 FEAF CCCCSC1=N[C@H](C(=O)OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 103004864 ONLDYYLFIUADOR-RDBSUJKOSA-N 360.435 2.279 0 1 FEAF CCN(CC)C(=O)[C@H]1CCC[C@@H](NCc2cccnc2)CN(C)C(=O)C1 2356299788 OIBDOBXATVZHBB-ZWKOTPCHSA-N 360.502 2.057 0 1 FEAF O=C(O)c1cn(C2CC=CC2)c2cc(N3CCNCC3)c(F)cc2c1=O 27619574 RLBJVIXPMNOBMG-UHFFFAOYSA-N 357.385 2.140 0 1 FEAF CC(=O)N1C[C@@H](CO)[C@@H](N(C)C(=O)c2ccco2)C[C@H]1c1ccccc1 72136209 XGXROVCWIVWZJR-BZSNNMDCSA-N 356.422 2.322 0 3 FEAF O=C1C[C@H](OCc2cn(Cc3ccc4ccccc4c3)nn2)[C@H]2CO[C@@H]1O2 1911581437 ZDXCEYMZYHUBTI-XUVXKRRUSA-N 365.389 2.079 0 1 FEAF COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@H]43 257620476 XGYZDZNXCXHGBV-VBVPVEISSA-N 366.461 2.481 0 1 FEAF COc1ccc(CN2CN3Cc4cc(OC)ccc4[C@H]3CS2(=O)=O)cc1 263590474 KQLUCFSNYVATTK-LJQANCHMSA-N 374.462 2.364 0 3 FEAF COc1cc2c3c(c1)O[C@H](c1cccc(O[C@H](C)C(N)=O)c1)[C@@H](C2)C3=O 587433330 QSISAEZDGRABFF-RSXSOOJNSA-N 353.374 2.437 0 1 FEAF COc1ccc(/C=C\Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)c(OC)c1 587929297 MGOWMGNDCKGYTQ-HYXAFXHYSA-N 373.434 2.483 0 1 FEAF CCCS(=O)(=O)N1CCC(c2nc3cccc(C(=O)O)c3[nH]2)CC1 586952778 NIDXNGIOTGEZPY-UHFFFAOYSA-N 351.428 2.180 0 1 FEAF O=C(c1ccccc1)c1ccc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2c1 587971264 XRVREGGDZIRRGX-GJZGRUSLSA-N 350.330 2.293 0 1 FEAF O=C1N=Nc2nc(CNS(=O)(=O)c3ccccc3)nc3cccc1c23 169710190 CXOPMSMPEQFORN-UHFFFAOYSA-N 353.363 2.346 0 1 FEAF COc1n[nH]c2cc(NC(=O)N[C@H](C[S@](C)=O)c3ccccc3)ncc12 209351212 UPLZJJAMYIAUGF-PTFIGZPYSA-N 373.438 2.208 0 1 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@@H]4CCCNC4)c(=O)n1c23 1857553922 GNCZLLHSLMYGQY-NWDGAFQWSA-N 373.428 2.083 0 1 FEAF COc1ccc2nc(NC(=O)NCCCN3CCN(C)CC3)sc2c1 1857648450 WUZHSBVXWMIZHC-UHFFFAOYSA-N 363.487 2.064 0 1 FEAF C[C@@H](C(=O)Nc1ccccc1)C(=O)N[C@H](C)NC(=O)Cc1ccccc1 1857277 NWUCXYJTNFIILW-HUUCEWRRSA-N 353.422 2.082 0 1 FEAF COCCCNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)ccc1F 3020454 YTXRITKQPONLBI-ZDUSSCGKSA-N 372.462 2.013 0 1 FEAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCO 4152582 LKGAPAACVOHDSQ-NVXWUHKLSA-N 360.435 2.347 0 1 FEAF CC=C(CO)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@@H]2C1 2356403827 VRERLMSQAWCFOO-GMVGQWCBSA-N 364.438 2.245 0 1 FEAF Cc1c(N2CCC[C@@H](CO)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 100918093 YCGOWGAAIASIBF-GFCCVEGCSA-N 371.437 2.134 0 1 FEAF O=C(NCc1n[nH]c(-c2ccncc2)n1)Nc1nnc(C2CCC2)s1 23580750 NIDFISJBAUBWIX-UHFFFAOYSA-N 356.415 2.307 0 1 FEAF CC=C1CN2[C@H]3C[C@H]1[C@@](CO)(C(=O)OC)[C@H]2C[C@H]1C3=Nc2ccccc21 2356537180 JHLJAPBBYYUJNY-MMJIHXBGSA-N 352.434 2.431 0 1 FEAF Nc1ccc2[nH]cc(-c3nc(N)ncc3I)c2c1 72109678 BKUUPSPVSDKWTK-UHFFFAOYSA-N 351.151 2.394 0 1 FEAF Cc1ccc(-c2nc(C(=O)NCC(=O)OC[C@@H]3CCCN3C)co2)cc1 82072274 UYUFFHYRDRMVEW-HNNXBMFYSA-N 357.410 2.017 0 1 FEAF CN(C)CCCCOC(=O)CN(C)C(=O)c1coc(-c2cccs2)n1 82085818 QZTDILBYRQYHDX-UHFFFAOYSA-N 365.455 2.360 0 1 FEAF CN1C(=O)[C@H]2[C@@H]3O[C@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O 195173856 QMSLDDDUADQJHZ-NCXUSEDFSA-N 363.369 2.021 0 1 FEAF CC[C@H](C)Nc1ncc(C(=O)NCCNC(C)=O)c(-c2ccccc2)n1 82134102 CCGFIRLCIPRWSC-ZDUSSCGKSA-N 355.442 2.220 0 1 FEAF COc1ccc2[nH]nc(-c3cc(N4CCN(C5CC5)CC4)ncn3)c2c1 225557225 QJMCMYPVOOLKPO-UHFFFAOYSA-N 350.426 2.313 0 1 FEAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(C(=N)N)cc3[nH]2)s1 587023496 DKABVUHLIQZLIC-UHFFFAOYSA-N 373.442 2.636 0 1 FEAF COC1=COC(CO)=C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617984 SCOVWJPFWOWWEP-PXNSSMCTSA-N 368.341 2.487 0 1 FEAF CN1CCN(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 587661120 MTUMHPMTQHVFIK-UHFFFAOYSA-N 366.396 2.418 0 1 FEAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(C(=O)OC)cc3[nH]2)cc1 586947381 XJDJWYBTWBYROG-UHFFFAOYSA-N 373.434 2.043 0 1 FEAF CN1C=C[C@@]2(C(C(N)=O)=C1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962695870 GEICXNKSVQRBLU-YJYMSZOUSA-N 359.470 2.213 0 1 FEAF CN(C)C(=O)COc1cccc([C@]2(C)NCCc3nc4ccccn4c32)c1 962984672 NIFYVFWCNSLXJP-NRFANRHFSA-N 364.449 2.211 0 1 FEAF CCn1cc(C(=O)NCCN(C)C)c(=O)c2ccc(-c3ccncc3)cc21 5848300 OPDIRJDTNYVDRY-UHFFFAOYSA-N 364.449 2.375 0 1 FEAF COc1ccccc1CCc1nnc(CCC(=O)NC[C@@H]2CCCO2)o1 12023382 RTGQTRFQKJBHDS-HNNXBMFYSA-N 359.426 2.091 0 3 FEAF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccn2)cc1)C(F)(F)F 13760233 XKQUHPOBIFXEAQ-CQSZACIVSA-N 374.340 2.166 0 1 FEAF Cc1ccc(S(=O)(=O)n2nc(OC(=O)C3CCCCC3)cc2N)cc1 4099217 GKIRIDFGVQWJQP-UHFFFAOYSA-N 363.439 2.496 0 3 FEAF Cc1noc(C)c1Cn1cc(NC(=O)c2cccc(S(C)(=O)=O)c2)cn1 116673153 NTCKXGXRJMICJJ-UHFFFAOYSA-N 374.422 2.192 0 1 FEAF C[C@@H]1[C@H](c2ccc3c(c2)OCO3)O[C@@](O)(c2ccc3c(c2)OCO3)[C@]1(C)O 2356431515 USEXULCBBRQLCW-ZRUKYZTQSA-N 372.373 2.448 0 1 FEAF CC=C1CN2[C@H]3C[C@]45c6ccccc6N[C@@]4(O3)[C@@]2(OC)C[C@H]1[C@H]5C(=O)OC 2356660386 DTWMPIYEXLWLSM-WZOOKJDPSA-N 368.433 2.220 0 1 FEAF COc1cc([C@@H]2c3cc(OC)c(O)cc3C[C@@H](CO)[C@@H]2CO)ccc1O 2356666748 OEZZQOVAJDAVSJ-ZQGRQUNCSA-N 360.406 2.020 0 1 FEAF O=C1NCC(=O)N(Cc2ccc(F)cc2)[C@@H]1Cc1c[nH]c2ccccc12 71281109 XCYFIMNJFVHZIO-GOSISDBHSA-N 351.381 2.377 0 1 FEAF CCc1cc(OC)c(OC)c(C(=O)NC[C@H]2CCCN2CC)c1OC 34343056 CNYFTYULLUBARK-CQSZACIVSA-N 350.459 2.489 0 1 FEAF O=C1CCC(c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)=NN1 73224721 SQQOJVCBSPUCHM-UHFFFAOYSA-N 372.384 2.308 0 1 FEAF COc1cc(C[C@@H]2CO[C@@H](O)[C@@H]2Cc2ccc3c(c2)OCO3)ccc1O 14760268 JVSMRGQVKRWGGM-STXHMFSFSA-N 358.390 2.496 0 1 FEAF biogenic CCOC(=O)CN1C(=O)S/C(=C/c2coc3ccccc3c2=O)C1=O 40846522 YVSCBPXVFSCHKW-NTUHNPAUSA-N 359.359 2.392 0 1 FEAF NC1=N[C@@]2(CO1)c1cc(Br)ccc1O[C@@H](C1CC1)C21COC1 149290268 YRMAWAYLQWOXON-BBRMVZONSA-N 365.227 2.177 0 1 FEAF O=C(NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)C1CCC1 95568077 UIWMPEMTOGIUIE-PWRODBHTSA-N 365.477 2.327 0 1 FEAF O=C(N[C@@H](c1cccs1)C1CC(O)C1)c1cnc2sccn2c1=O 230563826 IZHZBWGYQPONMX-SRHKJQAYSA-N 361.448 2.060 0 1 FEAF CC(C)NC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 250762939 QSHCQTGDQZFNSO-DRMAHVMPSA-N 360.841 2.147 0 1 FEAF CC(C)COC(=O)N1CC(=O)N(Cc2ccc(Cl)cc2)C[C@@H](O)C1 299862492 JSPGFVHQEISAEZ-OAHLLOKOSA-N 354.834 2.138 0 1 FEAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(O)nc(N)nc4[nH]3)c2)c1 587234920 JZBWRDQICMQHSL-UHFFFAOYSA-N 374.404 2.258 0 1 FEAF NC(=O)c1cccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149666 PEHRNJAUOKOEAC-NSHDSACASA-N 370.359 2.456 0 1 FEAF CCOC(=O)[C@H]1Cc2ccncc2[C@@]12NCCc1c2c(C(C)C)nn1C 962921576 UQNQUGVQFATXNN-VLIAUNLRSA-N 354.454 2.063 0 1 FEAF O=C(NCCc1cnccn1)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 11879171 FGGLQASIYNCNNY-OAHLLOKOSA-N 372.856 2.228 0 3 FEAF C[C@]1(O)OC(=O)C(c2cccc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1 13488606 XEZLBSOUHPGMPG-SFHVURJKSA-N 362.378 2.405 0 1 FEAF COc1ccc2c(=O)c(-c3ccccc3)c(C(=O)Nc3nnn[nH]3)oc2c1 169315151 IZIORGAXEPGWDY-UHFFFAOYSA-N 363.333 2.234 0 1 FEAF c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4cnccn4)CC3)CC2)nc1 100803077 JEEXKVNFXCLLCQ-HDICACEKSA-N 367.501 2.450 0 1 FEAF COC(=O)[C@@]12C[C@H]3C[C@H](C(C)=O)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 1568208 WLHKFNKQLUMXHS-BNZQBYKSSA-N 352.434 2.434 0 1 FEAF Cc1cnc(CNc2ncncc2-c2cccc(NS(C)(=O)=O)c2)cn1 4257392 SIRMWZZLVGGOCA-UHFFFAOYSA-N 370.438 2.226 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@H](NCC2CC2)C[C@H]1O 2356289337 UBQIVEBIWLHCRB-VNTMZGSJSA-N 353.466 2.044 0 1 FEAF N[C@H]1C[C@@H]2CC[C@H](C1)N2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 102103716 RWFIYXVDRNEYKO-WLLOZRIZSA-N 372.400 2.027 0 1 FEAF CC(C)(C)NC(=O)CSc1nc(=O)cc(O)n1-c1ccccc1F 100463996 JJJMWTTZNKFRAH-UHFFFAOYSA-N 351.403 2.084 0 3 FEAF CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@H]2F 101449200 YQVRBZDSASHMKI-AYJCDTLMSA-N 362.397 2.080 0 1 FEAF C[C@@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)C(=O)NCc1ccccc1 26743517 YRNXLUBDUKQGOD-BRADTZPFSA-N 352.390 2.219 0 1 FEAF C[C@@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@H]2CCN(C)C[C@H]12 73164956 BVICSNQLCGMLKS-YWPYICTPSA-N 362.499 2.053 0 1 FEAF CCO[C@@H]1O[C@@H]2CN(C)[C@@H]3C[C@@H](OC)C=C[C@@]23c2cc3c(cc21)OCO3 14679347 KLPOJDWFOJJRDU-RTPSQPGTSA-N 359.422 2.376 0 1 FEAF biogenic C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 95675531 PHXITHQOKRDDQC-OAOYMFHYSA-N 374.481 2.079 0 1 FEAF NC(=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 587193773 PKADCGNJCZZICL-UHFFFAOYSA-N 366.421 2.181 0 1 FEAF COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)n1 587576146 MUSVBNNSCDAKBO-PBHICJAKSA-N 365.345 2.476 0 1 FEAF CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4nc(O)nc(O)c4cc3CC[C@H]21 587557300 IHOLQZJUAGFOLP-CMPLNLGQSA-N 358.398 2.475 0 1 FEAF COc1cc2nc(-c3nccnc3I)[nH]c2cn1 587186778 UCNZKBHXORXMNP-UHFFFAOYSA-N 353.123 2.028 0 1 FEAF O=S1(=O)CC[C@]2(NCCc3nc4ccccn4c32)c2cccc(F)c21 962981888 GNWMXBISGACEPY-SFHVURJKSA-N 357.410 2.040 0 1 FEAF O[C@H]1c2ccccc2C[C@H]1N1CCN(c2cccc3c2OCCO3)CC1 13471771 BFXGASGIXHYIDV-QUCCMNQESA-N 352.434 2.238 0 1 FEAF COc1ccc2c(C(=O)NCc3ccc(F)cc3)c(O)n(O)c(=O)c2c1 169349218 LQIFQLWSECZXKO-UHFFFAOYSA-N 358.325 2.022 0 1 FEAF Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)N3CCC[C@H](C)C3)c2C)n1 16849641 SYKOXIXSUZNFEH-LBPRGKRZSA-N 357.458 2.072 0 1 FEAF O=C1CN2Cc3cc(OCCCC(=O)NC4CCCCC4)ccc3N=C2N1 26851074 LZPXGUMZFMVDBG-UHFFFAOYSA-N 370.453 2.227 0 1 FEAF CCOC(=O)c1cnc2n(c1=O)[C@H](C)CC[C@@H]2C(=O)Nc1ccccc1 29307949 SYOBKUNZHAEHLT-OCCSQVGLSA-N 355.394 2.497 0 1 FEAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(c2ncccn2)C1 72284432 HJXAXXUTIBEZHT-GFCCVEGCSA-N 365.441 2.185 0 1 FEAF in-vitro Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cncnc4)C3=C2)cn1 149203831 XDLCTINGQHGIIW-UHFFFAOYSA-N 370.416 2.335 0 1 FEAF N=C(NCc1ccccc1)NC(=O)N1CCN(c2ccc(F)cc2)CC1 473145851 BPJFIFCHOPBHSD-UHFFFAOYSA-N 355.417 2.382 0 1 FEAF Oc1nncc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587002603 LKLNPVZKJHMBEJ-UHFFFAOYSA-N 359.187 2.413 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587232492 XVLFRJUDHPZXNN-RYUDHWBXSA-N 363.389 2.437 0 1 FEAF CN(C)C(=O)C[C@@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962671980 SNSLPGADOBSGEZ-VQTJNVASSA-N 355.438 2.027 0 1 FEAF Cc1c(O)ccc2c1[C@@]1(C[C@@H]3NCCc4cccc1c43)N[C@H](C(=O)O)C2 963551516 NXZSYTGEXIWEBY-QYWGDWMGSA-N 350.418 2.134 0 1 FEAF CC1=CC[C@H]([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)[C@@H](C)C1 963217509 GPCYYTYLNOYOOF-WSLKZVHASA-N 354.454 2.201 0 1 FEAF NS(=O)(=O)c1cc(C(=O)O)cnc1Nc1cccc(C(F)(F)F)c1 1772645905 WPPYTPLJZMJUOO-UHFFFAOYSA-N 361.301 2.190 0 1 FEAF CN1C(=O)[C@@H]2[C@@H]3O[C@@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O 13675715 QMSLDDDUADQJHZ-SEXKYXSUSA-N 363.369 2.021 0 1 FEAF O=C(O)c1cc(CCn2cnc3c2NC=NC[C@H]3O)c2ccccc2c1 13861919 BHYHIEMPROVLIW-MRXNPFEDSA-N 350.378 2.464 0 1 FEAF CNC1=Nc2cc(-c3cccc(CC(N)=O)c3)sc2N2[C@H](C)C=N[C@@H]12 169725062 KIUDZYXYHCZCAE-BMLIUANNSA-N 353.451 2.311 0 1 FEAF NC(=O)[C@H](Sc1nc(N)cc(O)n1)c1nc(-c2ccccc2)cs1 1857750787 KHAAUYFNVODMSQ-LBPRGKRZSA-N 359.436 2.207 0 1 FEAF O=C(Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccccc21)c1ccccc1 2467850 WSAUNOPVRDDFBO-INIZCTEOSA-N 364.401 2.225 0 3 FEAF O=C(CCCn1c(=S)[nH]c2ccsc2c1=O)NC[C@@H]1CCCO1 102739989 DKXAIRSWZGNDAL-JTQLQIEISA-N 353.469 2.196 0 1 FEAF CC(C)NC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 101242613 QSHCQTGDQZFNSO-NNFUDEMPSA-N 360.841 2.147 0 1 FEAF CC(=O)N[C@H]1CC[C@H](Nc2nccc(-n3nnc4ccccc43)n2)CC1 101696690 JANAZDXNIOBICQ-OKILXGFUSA-N 351.414 2.070 0 1 FEAF COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(CO)nc12 113276845 ZTKWDRBWYKFQPY-UHFFFAOYSA-N 367.192 2.357 0 1 FEAF COC(=O)C[C@@H]1OC(=O)c2c1ccc1c(CCN(C)C)cc(OC)c(O)c21 13385639 OOAOKHTXPLSOIK-AWEZNQCLSA-N 373.405 2.433 0 1 FEAF biogenic O=C1C=CC[C@H](/C=C/C[C@@H]2C[C@H](O)[C@H](O)[C@@H](/C=C/c3ccccc3)O2)O1 84154407 ITOWMYXEGADZIR-UALJLOKQSA-N 356.418 2.397 0 1 FEAF biogenic,in-vitro Cc1ccc(CN2CCC[C@]3(C(=O)O)CN(c4ncccn4)C[C@@H]3C2)o1 96185228 YXSLIRMCKLMFAY-KXBFYZLASA-N 356.426 2.181 0 1 FEAF CC(=O)Oc1ccc2c3c1O[C@@H]1[C@@H](OC(C)=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314 261141083 NCXVKLDKUADJPV-RWQYCXNXSA-N 371.433 2.213 0 1 FEAF in-vitro COc1ccc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)cc1OC 587558511 AINOWISUAKHZPU-UHFFFAOYSA-N 371.349 2.137 0 1 FEAF COc1cc2c3c(c1)O[C@]1(CCCc4nc(O)c(C(=O)O)cc41)[C@@H](C2)C3=O 587435920 KKJUQTZMHKZHDP-RBZFPXEDSA-N 367.357 2.473 0 1 FEAF CO[C@H]1CCC[C@@H]1n1c(=O)cc(O)n(CCc2cccc(Cl)c2)c1=O 169729802 NKTUGTXVFDIMAL-GJZGRUSLSA-N 364.829 2.352 0 1 FEAF O=C(NC[C@@H]1CCOC1)c1ccc(NC(=O)N2Cc3ccccc3C2)nc1 166207041 OXNCOQQHVXZABY-AWEZNQCLSA-N 366.421 2.396 0 1 FEAF COC(=O)[C@@](CC1=CC[C@@H]2C[C@H]1C2(C)C)(NS(C)(=O)=O)C(F)(F)F 2469701 MLJVFKXWSFYGOJ-JTNHKYCSSA-N 369.405 2.392 0 1 FEAF C[C@]1(O)CCN(Cc2cncnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 2356288321 AOSZFNZGINDLCY-ZJOUEHCJSA-N 366.465 2.069 0 1 FEAF CCCCc1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)Nc2nccs2)nn1 2356298738 YEDIUJVJBDYUGN-VNQPRFMTSA-N 374.514 2.426 0 1 FEAF CCn1cnnc1Cc1nc2c([nH]1)C[C@H](c1ccc(Cl)cc1)CNC2=O 65395620 PUWYLXHWJOFZDX-LBPRGKRZSA-N 370.844 2.335 0 1 FEAF COc1cncc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)[C@@H](C)O3)c1 220715282 FODVISLDJAALAH-ODXCJYRJSA-N 367.405 2.095 0 1 FEAF FC(F)(F)c1nc(NC[C@@H]2CCCO2)c2nnn(C[C@H]3CCCO3)c2n1 84712295 GJWZHONWDHHAIK-VHSXEESVSA-N 372.351 2.010 0 1 FEAF Cc1c(C(N)=O)sc2nc(C)n(NC(=S)Nc3ccccc3)c(=O)c12 98082853 PPCUVIQEWNPTSM-UHFFFAOYSA-N 373.463 2.114 0 1 FEAF NC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)c2cncnc12 143692003 SUIGRARYWZUJEF-UHFFFAOYSA-N 351.385 2.194 0 1 FEAF C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C)c1ccccc1 618014000 IGXCFMLPOHWBNU-MVWRLGRASA-N 352.438 2.072 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CCO[C@H]2C3)N1 587795929 YULIVXUCQOTHJI-HICWGWBUSA-N 355.251 2.422 0 1 FEAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c[nH]c(=N)[nH]c-3n2)cc1 587040601 OVGRJEDVRXGJEH-CYBMUJFWSA-N 370.438 2.004 0 1 FEAF CC(C)(C)OC(=O)N1C[C@H]2CCc3nc4nc(O)nc(O)c4cc3[C@@H]2C1 587558959 VNMVAJWMVLIATC-BXKDBHETSA-N 358.398 2.333 0 1 FEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(F)cc(F)c2[nH]1 586930497 QDKBNGGHFWLVAS-UHFFFAOYSA-N 353.350 2.376 0 1 FEAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 586939946 VJIZVIZBTHWQOA-MRVPVSSYSA-N 373.360 2.355 0 1 FEAF COc1ccc(S(=O)(=O)Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 586920824 RRQDXNRMNWXSOF-UHFFFAOYSA-N 358.379 2.127 0 1 FEAF CC1=CC[C@H]([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)[C@H](C)C1 963217507 GPCYYTYLNOYOOF-NWCAJXEZSA-N 354.454 2.201 0 1 FEAF CCOC(=O)[C@@]1(c2ccccc2C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963489691 HYKNSLCAKKUSCI-KKSFZXQISA-N 369.417 2.415 0 1 FEAF COc1cccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c32)n1 1772640951 JWVMWQAPXXHMJV-UHFFFAOYSA-N 365.397 2.374 0 1 FEAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(COc3ccccc3)[nH]n2)C1 11820034 VTGGLXKIGIXUIS-CQSZACIVSA-N 357.410 2.404 0 1 FEAF COc1cc(C[C@H]2CN=C(N)N=C2N)cc(OC)c1OCc1ccccc1 13757769 SYIHNGNHJAJYQL-HNNXBMFYSA-N 368.437 2.127 0 1 FEAF COc1cccc(CNc2nc3nc4c(c(O)n3n2)CCCC4)c1OC 15669041 VIINFBWIIVVAAY-UHFFFAOYSA-N 355.398 2.338 0 1 FEAF COCCNc1[nH]c(=NCCc2c[nH]c3ccc(C)cc23)[nH]c2ncnc1-2 1857611764 CIILFYNBHYGKOT-UHFFFAOYSA-N 365.441 2.229 0 1 FEAF CC[C@@H]1C(=O)O[C@@H]1C1=C(Br)C(=CBr)OC1=O 2356307043 WLOLFHPXUWXMQJ-NVNXEXLPSA-N 351.978 2.380 0 1 FEAF Cc1cnc(NC(=O)C2=C(O)c3cc(C)sc3S(=O)(=O)N2C)s1 28105898 NUJLQKROCYAPPG-UHFFFAOYSA-N 371.465 2.321 0 1 FEAF COc1cc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c(OC)c1 28127216 URXVJLPACVARIO-UHFFFAOYSA-N 369.425 2.456 0 1 FEAF C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@@H](C(=O)O)C[C@@]54[C@@]2(O)[C@H]1CC[C@@]34CO 2356733213 FHEIQKLULLQNBD-KNDQWCIUSA-N 373.493 2.237 0 1 FEAF C[S@](=O)CCCCCCNC(=O)NCCCCCC[S@](C)=O 4061134 RGRPFEZBDDSTNV-FGZHOGPDSA-N 352.566 2.163 0 1 FEAF biogenic CN1Cc2cc3c(cc2[C@H]2[C@@H](O)Cc4cc5c(cc4[C@H]21)OCO5)OCO3 31495231 UBPAYYJTLBZPSD-PNHOKKKMSA-N 353.374 2.331 0 1 FEAF CN1CCN(c2nc(-c3ccc(Cl)cc3)c3c(N)n(C)nc3n2)CC1 37358002 XNWSKQIHTMCANU-UHFFFAOYSA-N 357.849 2.018 0 1 FEAF O=C(C[C@@H](CO)C(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 40392981 YNDXXIPMXGSUGT-ZDUSSCGKSA-N 356.330 2.208 0 1 FEAF biogenic,in-vitro C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CN1C[C@H](c2ccccc2)CC1=O 40810718 IKRQMPWOBJEDBW-ZHALLVOQSA-N 357.498 2.382 0 1 FEAF CC[C@@H]1CN(C(=O)NC(C)C)CC[C@@H]1CC(=O)N[C@@H](CO)CC(C)C 25430245 DHLMLMAXOBXOJG-BRWVUGGUSA-N 355.523 2.366 0 1 FEAF biogenic COCCCN1C[C@H]2C(NC(=O)c3nc(C(C)C)n4ccccc34)[C@@H]2C1 653805021 SCKDVADFQUUMKD-HUUCEWRRSA-N 356.470 2.154 0 1 FEAF Oc1nc(O)c2cc3c(nc2n1)CC[C@@H](C1CCC2(CC1)OCCO2)C3 587563704 VYLOJMQENAZVKS-GFCCVEGCSA-N 357.410 2.474 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CN(C)S(C)(=O)=O)o1)O2 587409325 LNBCHJIWGHQZFN-INIZCTEOSA-N 364.423 2.268 0 1 FEAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cn(C)nc1C)[C@@H](C2)C3=O 587433219 WOBXOHRJDHYINY-XVYOSBPZSA-N 353.422 2.455 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1cn(COC(=O)C(C)(C)C)nn1)[C@@H](C2)C3=O 587435160 DCKJYMMUYSAAPG-YVEFUNNKSA-N 371.393 2.322 0 1 FEAF Cc1cc2c(cc1O)[C@@H](c1cccc(OCCC(=O)O)c1)N[C@H](C(=O)O)C2 963488881 GJOZNSCKMJPLGU-QFBILLFUSA-N 371.389 2.242 0 1 FEAF COc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1OC 13479963 YJWKFEOPTCAJCT-HVVPCYGRSA-N 353.418 2.299 0 1 FEAF COc1ccc(CCNC(=O)[C@H]2NC(=O)C[C@@H]2c2ccccc2)cc1OC 4928911 CMIVSLLRJCOTMJ-UZLBHIALSA-N 368.433 2.035 0 1 FEAF O=C1CC(=O)N(CCOc2ccccc2)C(=O)N1CCOc1ccccc1 102843410 VRPVGENYNNEWNB-UHFFFAOYSA-N 368.389 2.325 0 1 FEAF CO[C@H]1CC[C@H](N2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)CC1 117438963 MLNXSIDFWZVCJU-WOVMCDHWSA-N 371.481 2.163 0 1 FEAF CCOC(=O)c1cnc(-c2cccs2)nc1NN1C(=O)C=C(C)C1=O 29397220 KBCXTBOXZPZBNM-UHFFFAOYSA-N 358.379 2.024 0 1 FEAF COCCNC(=O)[C@@]1(C)CCCN(Cc2cc(-c3ccccc3)nn2C)C1 61907797 ZQPIPDXYEBYMBG-NRFANRHFSA-N 370.497 2.452 0 3 FEAF COCCC(=O)Nc1cccc([C@]2(C3CCCCC3)NC(=N)N(C)C2=O)c1 34949849 JKKLMAOQHPBFAO-FQEVSTJZSA-N 372.469 2.434 0 1 FEAF CC[C@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(C)cc2)C1=O 36382422 BKCMRTYZVWAGCC-MRXNPFEDSA-N 367.453 2.359 0 3 FEAF CN(C[C@@H](O)CN1CCc2ccccc2C1)C(=O)CCc1ccccc1 218906554 ZLKTUNJGJTWFQB-OAQYLSRUSA-N 352.478 2.497 0 1 FEAF COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F 95894329 IAAUQCZXORERDR-SBHAEUEKSA-N 370.424 2.148 0 1 FEAF CNc1ccccc1C(=O)O[C@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]3(OCCCN31)[C@@H]1[C@H]5[C@@H]4[C@H]12 253670958 DEVSVQLQYSWGQG-XWECVIJESA-N 364.445 2.401 0 1 FEAF C=CS(=O)(=O)N[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 621485858 PNGQFQHEYYUIQM-HNNXBMFYSA-N 356.875 2.327 0 1 FEAF Cc1nn(C)c(O)c1C(=O)c1ccc2c(c1)n(C1CCCC1)c(=O)n2C 299866419 OXYYFWDFVALBPF-UHFFFAOYSA-N 354.410 2.434 0 1 FEAF O=C(OCc1ccccc1)N1CCc2cc3c(O)nc(O)nc3nc2C1 587558328 QQFJORGHVSWVHT-UHFFFAOYSA-N 352.350 2.131 0 1 FEAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cnncc4[nH]3)CC2)cc1 586954352 HLLJIJBXZYAJBR-UHFFFAOYSA-N 357.439 2.230 0 1 FEAF COc1cccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c12 587203818 UPQTUIKANQKGCU-CQSZACIVSA-N 369.377 2.494 0 1 FEAF CCCCNC(=O)NCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 169335382 BOWLSMDAWAYQOY-KRWDZBQOSA-N 351.491 2.066 0 1 FEAF COc1cccc(CNC(=O)Cn2ncc3c(=O)oc4ccccc4c32)c1 5004890 FUNGTBRPEUIKGZ-UHFFFAOYSA-N 363.373 2.468 0 3 FEAF COc1ccc(CN2CCCCO2)c(OC[C@@H](O)CN2CCCC2)c1 12432273 WIPASOFTHGHMGH-KRWDZBQOSA-N 350.459 2.058 0 1 FEAF Cn1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cn1 12701970 KUMMUKYYONHHGR-OAHLLOKOSA-N 360.845 2.129 0 3 FEAF CN(CCO)C(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1 1857541374 LWQPNBSCXAHNRY-UHFFFAOYSA-N 369.343 2.416 0 1 FEAF NS(=O)(=O)c1cc(C(=O)CN2CCc3ccccc32)ccc1Cl 1857760937 IUJZGQBCUQCFFX-UHFFFAOYSA-N 350.827 2.233 0 1 FEAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)c1 4049503 YXDSGGPZFCWXLO-IEBWSBKVSA-N 354.406 2.286 0 1 FEAF O=C1CC[C@@H](CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)N1 103239942 LXQOXNWOZATWEB-INIZCTEOSA-N 362.426 2.295 0 1 FEAF NCCc1c([C@@H](c2c[nH]c3ccccc23)[C@H](O)CO)[nH]c2ccc(O)cc12 103241731 ZTYZUZUNCFQNPS-UXHICEINSA-N 365.433 2.341 0 1 FEAF O=C1C[C@@H](c2ccccc2F)C(=O)N1CN1CCN(c2ccccc2)CC1 103010132 RGHUTFTYDHDSGK-SFHVURJKSA-N 367.424 2.448 0 1 FEAF CC(C)CNc1ncnc2c1ncn2[C@H]1CN(C2CCCC2)C[C@@H](CO)O1 61906137 RUHXCCMDFHXAGK-JKSUJKDBSA-N 374.489 2.029 0 3 FEAF CC(=O)S[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1cccc(F)c1 27310450 JPSWAPMQXLKILU-KGLIPLIRSA-N 367.398 2.122 0 1 FEAF CC(C)=CCc1c(O)c(C)c(O)c2c1[C@H]([C@]1(C)C[C@@H](O)C(=O)O1)OC2=O 2356619272 YZBQWOKLCWGSMK-RWTORFTKSA-N 362.378 2.193 0 1 FEAF CC(=O)N1CCC(N2C[C@@H](F)[C@H](OCc3nc4ccc(C)cc4[nH]3)C2)CC1 2356737397 PQUNSWUECODTGS-VQIMIIECSA-N 374.460 2.421 0 1 FEAF CCCNC(=O)[C@]1(C)CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 61904460 XMVMICVRRSXZRO-HXUWFJFHSA-N 362.470 2.401 0 3 FEAF COC(=O)C1=C(C)N(CC[C@@H](C)O)C(=O)N(C(C)=O)[C@@H]1c1ccccc1 38142403 PUCNFVPQXONYBI-SJKOYZFVSA-N 360.410 2.230 0 1 FEAF CNc1cc(N2CCCNCC2)ccc1S(=O)(=O)c1cccc(F)c1 38192568 QIWUTULEOBBBBU-UHFFFAOYSA-N 363.458 2.500 0 1 FEAF CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccncc4)oc23)[C@H](O)C1 38543972 MPBLVVMMAMGCPJ-BLLLJJGKSA-N 368.389 2.046 0 1 FEAF CCOCCNC(=O)[C@@H]1CCCN1c1nccc(Nc2ccccc2)n1 39301389 VRFAMGSNRQHAMD-INIZCTEOSA-N 355.442 2.342 0 1 FEAF c1cc(-c2n[nH]c3ccnc(O[C@@H]4CCOC4)c23)cc(N2CCOCC2)n1 146696230 FWWBSUYOVKSDAU-CQSZACIVSA-N 367.409 2.024 0 1 FEAF CN[C@@H](C)C(=O)N[C@H]1CSc2ccccc2N(Cc2ccccc2)C1=O 143879566 LHUKROPHQRPJTR-HOCLYGCPSA-N 369.490 2.418 0 1 FEAF C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 95911247 SDWMGUVLMJYDMR-FRHKILPWSA-N 352.471 2.425 0 1 FEAF biogenic,in-vitro CCN1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 95869550 YXKNAACKMYCBFZ-QKNQBKEWSA-N 354.425 2.484 0 1 FEAF Fc1ccccc1Cn1cc(CSC(=S)N2CCOCC2)nn1 96285725 YOQYPQCKXLSZQZ-UHFFFAOYSA-N 352.460 2.316 0 1 FEAF CCC(CC)C(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)NC3CCCCC3)CO[C@@H]21 36356686 JZCGLYIEXJPJIT-YYIAUSFCSA-N 368.474 2.133 0 1 FEAF biogenic COC(=O)c1cc2c(c(O)c1OC)CCN1CCC3=CC[C@@H](OC)C[C@@]321 85730667 MMZBOILCDYNGKK-ZUOKHONESA-N 359.422 2.380 0 1 FEAF biogenic CN1CCCCC[C@@H]1C(=O)NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1 299845326 OPTQXHBMGQPWHE-IEBWSBKVSA-N 366.465 2.438 0 1 FEAF COc1cc2c3c(c1)OC1(CCN(C(=O)CCCC(=O)O)CC1)[C@@H](C2)C3=O 587438682 QQXIMUPQCZAHSY-AWEZNQCLSA-N 373.405 2.059 0 1 FEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)cnc2[nH]1 586929846 HDEHVBCUPJCSNK-UHFFFAOYSA-N 352.803 2.146 0 1 FEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(N1)C(=O)Nc1ccc(F)c(Cl)c12 962908183 UEPUXYBRWGFIEC-APPDUMDISA-N 364.735 2.413 0 1 FEAF O=c1cnn(-c2ccc([C@H](O)c3ccc(Cl)cc3)c(Cl)c2)c(=O)[nH]1 5117204 PDYOESYMTUGYJT-OAHLLOKOSA-N 364.188 2.309 0 1 FEAF O[C@H](COc1ccccc1[C@H](O)CCc1ccccc1)CN1CCOCC1 13529077 BGSJEIFMGVDHLM-PZJWPPBQSA-N 371.477 2.425 0 1 FEAF CC1CCC(C(=O)N[C@@H](C(=O)N2CCC3(CC2)OCCO3)C(C)C)CC1 2601562 XCDYKUMVAFNGID-OFLPRAFFSA-N 366.502 2.319 0 3 FEAF CCOC(=O)N1CCC(NC(=O)C2=C(C)C(=O)OC23CCCCC3)CC1 6772324 NNBODUKKWMKQTI-UHFFFAOYSA-N 364.442 2.300 0 1 FEAF COCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3ccccc3n2)CC1 61898242 XDKWJIJIGYIDEP-MRXNPFEDSA-N 355.438 2.240 0 3 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(NC)CC3)c(F)c21 66251712 SDKJNFDLIXILMY-UHFFFAOYSA-N 365.380 2.186 0 1 FEAF CC(=O)c1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccccc1 28262812 ORDMORLFSAVCCX-KRWDZBQOSA-N 371.437 2.040 0 1 FEAF CN1[C@@H]2C[C@H](OC(=O)c3ccccc3)[C@@H]([C@@H](O)c3ccccc3)[C@@H]1[C@@H](O)C2 2356697413 PNMXNAGXMLFKBK-OLGWUGKESA-N 367.445 2.399 0 1 FEAF CC=C(CO)C(=O)O[C@@H]1CC(C)=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@@H]21 2356769951 RUKZGUMJTZMSDC-NKGKWGDASA-N 364.438 2.063 0 1 FEAF CC(=O)OCCC(=O)[C@@H]1[C@@H]2CC[C@H](COC(C)=O)C[C@H]2C=C[C@]1(C)O 2356790749 FYDYUINNZWREDS-CFRSGVNKSA-N 352.427 2.041 0 1 FEAF CC(=O)c1cc(C[C@H]2CNCC[C@@H]2CC(=O)NCc2ccccc2)no1 2356831467 JPHPPUIPKAARFN-SJORKVTESA-N 355.438 2.352 0 1 FEAF O=C(Nc1ccc(F)c(Cl)c1)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 61902363 BORVIGGVCMEKDG-RWMBFGLXSA-N 372.805 2.371 0 3 FEAF O=Cc1ccc(OC[C@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 72116238 WEPPVVMXIFHLMC-GOSISDBHSA-N 359.332 2.336 0 1 FEAF CO[C@H]1O[C@H](OC)[C@@]2(C)CC(C)(C)[C@@H]3[C@@H](OC(C)=O)C[C@@H](C)[C@H]1[C@@]32O 40936704 UVJBMYJHRMQRSJ-IHFWDFRQSA-N 356.459 2.333 0 1 FEAF COc1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3cccnc3)C(=O)O2)cc1 40394479 YNVMEESJFVULDO-RIMDVYMRSA-N 369.373 2.009 0 1 FEAF COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](O)[C@H]2O)cc1OC 238757293 VDDYRAREFDERAS-GVDBMIGSSA-N 362.378 2.249 0 1 FEAF CC1(C)Oc2ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2[C@@H](O)[C@H]1O 40392212 SJILHXXGADEART-KFKAGJAMSA-N 372.373 2.370 0 1 FEAF biogenic CC(=O)N1N=C(c2ccccc2)O[C@H]1C(=O)NCCc1ccc(C)cc1 299850107 AJGXQETVBKVLRY-FQEVSTJZSA-N 351.406 2.220 0 1 FEAF COc1nccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c12 587023844 KDFBBYNYNBJFFK-UHFFFAOYSA-N 362.415 2.756 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@H](C)C(N)=O)cc1)[C@@H](C2)C3=O 587427631 FASCVDDJHMONRQ-XAILHKCVSA-N 353.374 2.437 0 1 FEAF O=C(N[C@@H](c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1)c1ccccc1 587222414 KPFQDVNMYRXPIT-ZDUSSCGKSA-N 361.361 2.284 0 1 FEAF CCOC(=O)Cn1cc([C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)nn1 963114461 TUDSMYDURCCVJK-KUHUBIRLSA-N 358.417 2.264 0 1 FEAF O=C(c1ccc([C@H]2NCCc3nc4ccccn4c32)cc1)N1CCOCC1 962989466 QGUJCNJYMLDLMF-LJQANCHMSA-N 362.433 2.042 0 1 FEAF C[C@H]1C[C@H]1C(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)OCc1ccccc1 13443237 IGUJARIQHGSCCJ-LZDOMEQBSA-N 356.422 2.427 0 1 FEAF COc1ccc([C@@H](O)Cn2cc[nH]c2=O)cc1OC1Cc2ccccc2C1 13438911 RWRZJJIRVFJYTH-SFHVURJKSA-N 366.417 2.465 0 1 FEAF COc1ccc([C@H]2[C@H](C(C)=O)C(=O)C(=O)N2c2nccs2)c(OC)c1 169690676 WXFQKXPFULXBLO-KBPBESRZSA-N 360.391 2.023 0 1 FEAF COCCNC(=O)c1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1 167469001 RHFAVZIQVWRAKB-UHFFFAOYSA-N 362.393 2.391 0 1 FEAF CCCCCn1nnnc1[C@]1(C)Cn2nccc2C(=O)N1Cc1ccco1 203465713 VKROCNZOFJOZJB-SFHVURJKSA-N 369.429 2.224 0 3 FEAF CC[C@H](C)[C@H](C(=O)O)N(C(=O)[C@H](N)CC(C)C)[C@H](C(=O)O)[C@H](C)CC 1857632614 DXICGRKNEYCBLC-QKGCVVFFSA-N 358.479 2.187 0 1 FEAF CC(=CCC[C@@]12O[C@H](CCC(C)=CCO)[C@@](C)(CC[C@@H]1O)OC2=O)CO 2356386750 VJRMCVCBCDACOE-ONCXSQPRSA-N 368.470 2.018 0 1 FEAF COc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 4805016 ZTHVHELPCLGXHF-JPPAUQSISA-N 364.445 2.101 0 1 FEAF biogenic,in-vitro C[C@@H]1[C@H](O)C[C@]23COC(=O)[C@@H]2CC[C@H](O)[C@@H]3[C@]1(C)CC[C@H]1CCOC1 2356287305 GOMXXHNZEQAZQB-OIXCKZSUSA-N 352.471 2.140 0 1 FEAF Cc1nn2cnnc2c(C)c1CCC(=O)NCCCN(C)C1CCCCC1 9689462 QHFPRJACLMCHTH-UHFFFAOYSA-N 372.517 2.445 0 1 FEAF CCCNC(=O)[C@]1(C)CCN(CCS(=O)(=O)c2ccc(C)cc2)C1 61928724 JICRRMKQNCPJKU-GOSISDBHSA-N 352.500 2.007 0 3 FEAF CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N)c1 114348754 OFGXCCDXYUXZLX-MRXNPFEDSA-N 350.426 2.026 0 1 FEAF C[C@@H]1[C@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1Cl 28227295 FGAPXYWEQVSGDJ-JMCQJSRRSA-N 365.792 2.363 0 1 FEAF CCN(C[C@@H](C)NC[C@H](O)c1ccc(O)c(C(N)=O)c1)c1ccccc1 40514373 WDHNSTCZVPHUHW-KUHUBIRLSA-N 357.454 2.029 0 1 FEAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3=O 95910673 TWZRJVCEACBXME-UGWOXWFMSA-N 350.455 2.386 0 1 FEAF biogenic,in-vitro Cc1ccncc1-n1ncc2c(=O)[nH]c([C@H]3CC[C@H]3c3ncccn3)nc21 145066693 QKQITTYGLPXNKK-OLZOCXBDSA-N 359.393 2.263 0 1 FEAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cccc(C(=O)O)c3[nH]2)cc1 586927921 ZOOVTLIDIGLBBB-UHFFFAOYSA-N 372.402 2.480 0 1 FEAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c[nH]c(=N)[nH]c-4n3)c2)c1 587236176 UEMCTGCSOTWLOT-UHFFFAOYSA-N 358.405 2.334 0 1 FEAF O=C(O)Cc1nn(Cc2nc3c(O)cccc3s2)c(=O)c2ccccc12 13860741 JBAHASJLLAWGNB-UHFFFAOYSA-N 367.386 2.387 0 1 FEAF COc1ccc([C@@H](CC(=O)O)N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 1857749352 BGHMXMWDNRKMAH-OAHLLOKOSA-N 369.329 2.205 0 1 FEAF CC(=CCC[C@@]12O[C@@H](CCC(C)=CCO)[C@@](C)(CC[C@@H]1O)OC2=O)CO 2356386752 VJRMCVCBCDACOE-RAUXBKROSA-N 368.470 2.018 0 1 FEAF COc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5C[C@H]43 100735114 ZTHVHELPCLGXHF-LBWREBNGSA-N 364.445 2.101 0 1 FEAF O=C(O)C1=C(C(=O)Nc2ccc(-c3ccccc3)cc2)CS(=O)(=O)C1 28525724 PWQWCAJDWVENQD-UHFFFAOYSA-N 357.387 2.102 0 1 FEAF COc1ccc(-c2nnc(N)n2-c2cc(OC)c(OC)c(OC)c2)cc1N 26851230 FXZSPHOKTRFCGF-UHFFFAOYSA-N 371.397 2.133 0 1 FEAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@H]2CCOC[C@H]12 28525005 RCVWWPSJYZKVFU-OALUTQOASA-N 353.466 2.489 0 1 FEAF O=C1C=CC[C@H](C=CC[C@H](O)C[C@H](O)C[C@@H](O)CCc2ccccc2)O1 2356518703 YZNUQTVBWSAEBN-MUGJNUQGSA-N 360.450 2.300 0 1 FEAF O=C(c1ccccc1)N1CCN(C[C@H](O)COC[C@H]2CC=CCC2)CC1 20026346 SDURUYRZFZLZBY-ICSRJNTNSA-N 358.482 2.178 0 3 FEAF C[C@@]12CCC[C@@](CO)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 70454067 DWSHSMIESAAXBC-ZAXZDERASA-N 352.471 2.180 0 1 FEAF biogenic,in-vitro CN1CCc2cc3c(cc2[C@@H]1[C@H]1O[C@@H](O)c2cc4c(cc21)OCO4)OCO3 13408628 AERCZABCWOQOSG-HSALFYBXSA-N 369.373 2.435 0 1 FEAF biogenic CCOC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1 40860598 RAEPBILQBUXWGC-HNNXBMFYSA-N 358.446 2.243 0 1 FEAF Cc1ccc2c(c1)C(O)=C(C(=O)Nc1ncc(C)s1)N(C)S2(=O)=O 49932974 SNJFJYPOPDHLIQ-UHFFFAOYSA-N 365.436 2.259 0 1 FEAF Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(F)nc4)ccc23)cn1 221622879 BAFJECAQHALABW-UHFFFAOYSA-N 362.368 2.254 0 1 FEAF C[C@@]1(c2cc(NC(=O)c3cc4n(n3)CCN4)ccc2F)C=CSC(N)=N1 147084771 JGSHZHANJDWJJX-KRWDZBQOSA-N 372.429 2.490 0 1 FEAF C[C@@H]1SC(c2ccccc2O)=N[C@@H]1[C@H]1SC[C@@](C)(C(=O)O)N1C 238746831 NOEXPDVJQLSPPC-MQQCTCJLSA-N 352.481 2.491 0 1 FEAF CC1(C)Oc2ccc([C@@H]3COc4cc(O)ccc4[C@H]3O)c(O)c2C[C@H]1O 142036608 WNPUFXJKZKMTCL-POZUXBRTSA-N 358.390 2.382 0 1 FEAF CCOC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 587437848 AQCPHDOFDRIRDT-KLUXEKNISA-N 371.433 2.275 0 1 FEAF Cc1csc([C@@](O)(Cc2nc3ccc(C(N)=O)cc3[nH]2)C(F)(F)F)n1 587093526 FZKSDRDCAAYCIT-AWEZNQCLSA-N 370.356 2.419 0 1 FEAF CCOC(=O)Cc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923692 FCRCUVVXEFKYES-UHFFFAOYSA-N 354.453 2.312 0 1 FEAF CN1[C@H]2COC[C@H]1CC(NC(=O)c1cn(-c3ncco3)c3ccccc13)C2 1772585422 GHOHFAIAMXOCAO-HUUCEWRRSA-N 366.421 2.210 0 1 FEAF COc1ccc(OC)c([C@H]2CCc3c(cnc4nc(N)nc(N)c34)C2)c1 5800968 BGIKLMHTODEELV-JTQLQIEISA-N 351.410 2.479 0 1 FEAF C[C@@H]1C[C@@H](C[C@@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O 14927540 OXBZEUQGKLXVSR-AYUCLBRPSA-N 360.362 2.026 0 1 FEAF C[C@@H](c1ccc(-c2cccc(C(N)=O)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948209 YGAZXKNSNKIHFM-AGRHKRQWSA-N 369.440 2.454 0 1 FEAF O=C1C[C@@]23CCN(CC4CC4)[C@@H]4C[C@H](O)[C@@H]1C[C@@]42Cc1ccc(O)cc13 169292082 LOXFETCCXNYJIL-PVBJTCARSA-N 353.462 2.401 0 1 FEAF Cc1nc(-c2ccccc2)c(-c2ccnc(NC(=O)CCn3cnnn3)c2)[nH]1 1857579566 OSBLXMOEJWVGRZ-UHFFFAOYSA-N 374.408 2.462 0 1 FEAF CNC[C@@H]1C=CN(C(=N)NC)C[C@@]12[C@H]1CC[C@H](C)[C@@]23CCC(C(=O)O)=C3C1 2356363426 JPVNSRMWLRYAAZ-GEXCINKBSA-N 372.513 2.403 0 1 FEAF COc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@H](C2)N(C)CC[C@]314 100989891 LHWWGOZQUDVOEX-FCRQHZQGSA-N 350.418 2.009 0 1 FEAF CC(C)(C)c1cc(I)c2c(c1)CNS(=O)(=O)O2 27859229 LYCCHNUYSMCVNL-UHFFFAOYSA-N 367.208 2.316 0 1 FEAF Nc1nc(NCc2ccncc2)nc2c1nc(O)n2Cc1ccc(F)cc1 28571424 UYPLKMXAHYBDOB-UHFFFAOYSA-N 365.372 2.309 0 1 FEAF COc1ccc2c(c1OC)O[C@@H]1COc3cc4c(cc3[C@@H]1[C@H]2O)OCO4 2356714016 YYFWIFCWNZFLJJ-IKGGRYGDSA-N 358.346 2.403 0 1 FEAF Oc1nc(CN2CC[C@H](O)C2)nc2c1oc1ccc(Br)cc12 84758264 FRRLLRQAGKSVMU-VIFPVBQESA-N 364.199 2.411 0 1 FEAF in-vitro Cc1[nH]c2c(c1C(=O)NCCO)CCC/C2=C1/C(=O)Nc2ccc(F)cc21 96284773 GWQQUSRBNJRKLG-LGMDPLHJSA-N 369.396 2.384 0 1 FEAF NS(=O)(=O)c1ccc(N2C(=O)CS[C@H]2c2cccc(F)c2)cc1 96917055 SCBYBHYGUGXUKU-HNNXBMFYSA-N 352.412 2.252 0 1 FEAF O=C(O)[C@@H]1CC[C@@]2(CN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349905 WAGXQNPIDWDLLX-VPWXQRGCSA-N 371.364 2.466 0 1 FEAF Cc1cc2[nH]c(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)nc2c(C)n1 587203515 RADDIGGXTYJQPT-OAHLLOKOSA-N 368.393 2.497 0 1 FEAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586964086 UMUKAAHGBYEKGC-LURJTMIESA-N 351.823 2.418 0 1 FEAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 587938587 XSEPKDJTIBTURV-QLJPJBMISA-N 361.423 2.056 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3nnnn3C)cc1)O2 587392628 ULVKZGHZYCVTJC-QGZVFWFLSA-N 365.393 2.386 0 1 FEAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3cc(O)ccc3[nH]2)cc1 586947479 ZYELHQVVCSULOT-AWEZNQCLSA-N 373.434 2.393 0 1 FEAF O=S(=O)(NCCc1nc2cccc(F)c2[nH]1)c1ccc(Cl)nc1 586941944 FQAGZFQTJUAYGF-UHFFFAOYSA-N 354.794 2.271 0 1 FEAF COc1cc(CC(=O)O)ccc1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963033231 QJECHWOYNDZDRB-LRTDBIEQSA-N 366.417 2.465 0 1 FEAF CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2)CC1 13764516 QWMYVRUPMHJAHJ-UHFFFAOYSA-N 367.497 2.408 0 1 FEAF COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CC[C@@H]4c5ccccc5N[C@@H]4[C@H]3C[C@H]21 2356464771 BTQSFZZXBMGPAG-AUGASEROSA-N 356.466 2.219 0 1 FEAF CCNC(=O)[C@@]1(C)CCCN(Cc2noc(-c3ccccc3OC)n2)C1 61927163 LEOMJFPVJYWLEY-IBGZPJMESA-N 358.442 2.483 0 3 FEAF CC(C)=C[C@@H]1O[C@@]2(C)C[C@H](O)O[C@@]13[C@H](C)[C@@H]1CC[C@H](C)[C@]1(O)C(=O)[C@H]23 2356478411 CVPRVMFLHNNGRF-NZYKQZRKSA-N 350.455 2.200 0 1 FEAF COc1ccc(OCCCNC2=NC(N)=N[C@H](c3ccccc3)N2)cc1 71281556 ATWCSIZOAVJZAJ-KRWDZBQOSA-N 353.426 2.026 0 1 FEAF COc1ccc(-c2nc3c(C(=O)NCCCO)cccc3[nH]2)cc1OC 71317639 RIUNSVLEUPXWBK-UHFFFAOYSA-N 355.394 2.359 0 1 FEAF COc1cccc(CN2CCC[C@@H](O)[C@H](NC(=O)c3ccc(O)cc3)C2)c1 15672249 WEKNPHPVBWPNFG-WOJBJXKFSA-N 370.449 2.156 0 1 FEAF biogenic Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1CC(O)C1 222214229 RRSYIVJLGUPYPY-UHFFFAOYSA-N 363.421 2.154 0 1 FEAF CNCc1cn(S(=O)(=O)c2ccoc2)c(-c2cccnc2F)c1F 43199494 ITJOTPRGERCREI-UHFFFAOYSA-N 353.350 2.378 0 1 FEAF CCCCCCSc1nc(N)nc2c1ncn2/C=C1/CC1(CO)CO 84712063 FCQJOWHNOOLVAM-WQLSENKSSA-N 363.487 2.297 0 1 FEAF C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 95675530 PHXITHQOKRDDQC-VLQPXKRTSA-N 374.481 2.079 0 1 FEAF C[C@@H]1C[C@H]2O[C@H](O)[C@H]3CCC[C@@H]4[C@]1(C[C@H](O)c1ccoc1)C(=O)OC[C@]342 238750368 YWWWYEBJWPRKGZ-NFLROPNOSA-N 362.422 2.406 0 1 FEAF O=C1C[C@]23CCN(CC4CC4)[C@@H]4C[C@H](O)[C@H]1C[C@]42Cc1ccc(O)cc13 254132281 LOXFETCCXNYJIL-RCUFNAHASA-N 353.462 2.401 0 1 FEAF Cc1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2n1 587203013 MKPFKDIRTHWZGI-AWEZNQCLSA-N 354.366 2.188 0 1 FEAF CC1=C(c2ccc3nc(-c4cccc(NC(N)=O)c4)[nH]c3c2)NNC(=O)C1 587241282 ARGAXTSHNPCRPR-UHFFFAOYSA-N 362.393 2.476 0 1 FEAF O=C([C@@H]1CCCN(c2ncccn2)C1)n1ncc2ccc(Cl)cc2c1=O 587653462 APOYKVOZGGEQBS-CYBMUJFWSA-N 369.812 2.397 0 1 FEAF CC[C@@H](C(=O)NC[C@H]1CCCO1)n1nc(C)n2c(cc3sccc32)c1=O 5108466 VCQPPNGOHZSULG-OLZOCXBDSA-N 374.466 2.265 0 1 FEAF O=C(CCC1CCN(C(=O)[C@H]2CCOC2)CC1)NCc1ccc(F)cc1 12465877 JTORYBKDSZMVKI-KRWDZBQOSA-N 362.445 2.497 0 1 FEAF COc1cc2c(cc1OC)[C@@H]1N(CC2)C(=O)CCC12C(=O)CCCC2=O 13814996 LXJPGUXDFZTECS-IBGZPJMESA-N 357.406 2.232 0 1 FEAF O=C(NC1CCCC1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 3044406 VXVAXTVQJBEBRG-GGXPGOJBSA-N 358.463 2.089 0 1 FEAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1C1=CCN(C(=O)OC)C=C1 100050546 OJWJLCWNXGSSRJ-XERWBJCMSA-N 362.382 2.462 0 1 FEAF COc1ccc(CNC[C@H](O)COc2ccc3[nH]c(=O)ccc3c2)cc1 27184083 KGLNPAMIJZWUKF-INIZCTEOSA-N 354.406 2.066 0 1 FEAF CC=C1CN2CC[C@H]1[C@]1(C(=O)OC)C(=O)[C@@]3(C=Nc4ccccc43)C[C@H]21 2356560398 YKPZGONKWNPTTK-GYPMPWGGSA-N 350.418 2.423 0 1 FEAF CN1Cc2c(ccc3c2OCO3)[C@H]2[C@H]1c1ccc3c(c1C[C@H]2O)OCO3 2356666293 VINIVXVRXVXNTR-ZTFGCOKTSA-N 353.374 2.331 0 1 FEAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Cn1cnc2sccc2c1=O 2356761804 CVBTYXXTLFRXPC-GDBMZVCRSA-N 374.510 2.181 0 1 FEAF CNC(=N)N1C=CC[C@@]23[C@H]4CC[C@@](C)(CC[C@H]12)[C@]31C[C@H](O)C(C(=O)O)=C1C4 2356769254 ZPRPKJYNUBYLDB-BVZKMLGDSA-N 371.481 2.461 0 1 FEAF COc1cc2c(cc1OC)[C@@H]1CN(C(=O)C3CCCC3)CC(=O)N1CC2 73219432 WCBLYKYKLVLQQF-INIZCTEOSA-N 358.438 2.162 0 1 FEAF COc1cc([C@H]2SCCC(=O)N2NC(=O)c2ccncc2)ccc1O 84633474 GTKREXUJDLLNJG-QGZVFWFLSA-N 359.407 2.105 0 1 FEAF O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccncc1)[C@@H]1CCCC[C@H]1N2 82213036 CCROWZKIOSKVDQ-HZPDHXFCSA-N 367.453 2.184 0 1 FEAF NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3cccs3)CC1)C2 143751553 VASLQBSSVPMGKR-UHFFFAOYSA-N 355.463 2.467 0 1 FEAF Nc1ncc(-c2cc(N3[C@H]4CC[C@H]3COC4)cc(N3CC4CC3C4)n2)cn1 653672865 KWRPESUSJWGKEK-ZTTSNEECSA-N 364.453 2.087 0 1 FEAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c[nH]c(=N)[nH]c-2n1 587113117 OIQFAMYMOQUUCT-HNNXBMFYSA-N 364.331 2.135 0 1 FEAF COc1cc2c(c(OC)c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 587398933 GSJKRNVGSQQRIE-IBGZPJMESA-N 354.362 2.407 0 1 FEAF COC(=O)[C@@H]1C(=O)C[C@@]2(C[C@@H]1C)NCCc1c(OC)ccc(Cl)c12 963268913 BBBGOQYFKLOUTD-XIWSCHCOSA-N 351.830 2.478 0 1 FEAF Fc1cccc2c1C1(CCN(CCN3CCOCC3)CC1)N1CCC[C@@H]1C2 963106419 MZXBIGIABALHQU-LJQANCHMSA-N 373.516 2.470 0 1 FEAF CCOC(=O)c1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)O)nc1C 169688179 KQSYOBQZSYZSAI-GWOFURMSSA-N 350.396 2.090 0 1 FEAF CCNC(=O)Nc1cc(-n2cccn2)c(C(=O)Nc2cccnc2)cn1 1857559349 JCTRAYIUGCXVJI-UHFFFAOYSA-N 351.370 2.056 0 1 FEAF CCOCCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCCC1)S2 3008040 PFIMZHCXXQITEF-GOSISDBHSA-N 363.483 2.309 0 1 FEAF COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](N)c1cc(=O)c(OC)ccc12 27712007 OHYIBXYNGHWVCH-POZUXBRTSA-N 359.422 2.177 0 1 FEAF CC/N=c1\c(NS(=O)(=O)c2c(C)noc2C)c(O)oc2ccccc12 103673601 RFPHWDWAKJKGHP-LGMDPLHJSA-N 363.395 2.465 0 1 FEAF CCOC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@@]2(CCN3C)CC1=O 100994177 WUGZFHIGKDHJFG-QUJKESNLSA-N 357.450 2.352 0 1 FEAF Cc1cc(S(=O)(=O)c2cncnc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100632714 WGGZUNOMTGMQMT-LRDDRELGSA-N 368.462 2.459 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@H]3[C@H](O)[C@]12O 2356546117 ASPNSXLDAYXWRB-MKDCTAFKSA-N 364.438 2.038 0 1 FEAF CC=C(C)[C@H](O)[C@H](C)C=C[C@H](O)[C@H](C)[C@H](O)C[C@H]1CC(OC)=CC(=O)O1 2356693150 ZSCSHJBZNPXUQJ-VCVLNCAMSA-N 368.470 2.100 0 1 FEAF COc1c(-c2ccc3c(c2OC)O[C@H](CO)[C@H]3CO)ccc2c1OCC2 14695341 OEPJKRZARIIETN-JKSUJKDBSA-N 358.390 2.135 0 1 FEAF biogenic CC(C)c1c(Cn2nnc3ccccc32)cc(=O)n2c1SC[C@H]2C(=O)O 84687331 RGSPDERUUQMIET-AWEZNQCLSA-N 370.434 2.496 0 1 FEAF CCOc1ccc2[nH]nc(-c3cc(N4CCN(C(C)=O)CC4)ncn3)c2c1 225551890 ULDZYRCAXKZHIY-UHFFFAOYSA-N 366.425 2.087 0 1 FEAF Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1NCCNc1ccccc1 82203768 TUNAMUBRKJESET-HNNXBMFYSA-N 354.458 2.011 0 1 FEAF CC(C)N1CCN(C(=O)OC2CCN(c3ccc(F)cn3)CC2)CC1 223527027 DPFVWGHJEXHHHO-UHFFFAOYSA-N 350.438 2.352 0 1 FEAF CN1C(=O)[C@]2(CC(C)(C)Sc3ccc(-c4cncnc4)cc32)N=C1N 95601217 IZLPDQBUWJIUNQ-GOSISDBHSA-N 353.451 2.400 0 1 FEAF CN1CCN(c2ccc(-c3cccc(CN(C)C(=O)CN)c3)cc2)CC1 142329810 WIQOHJQIXRMMHT-UHFFFAOYSA-N 352.482 2.023 0 1 FEAF CC(=O)N1CCC(c2nc(N3CCOCC3)ncc2-c2cc(C)no2)CC1 473134123 FWXFUUCXSGZNDX-UHFFFAOYSA-N 371.441 2.003 0 1 FEAF O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 653742646 HMBAEAQKWTXBHE-KRWDZBQOSA-N 363.373 2.395 0 1 FEAF O=C(O)[C@@H]1CC[C@]2(CN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349908 WAGXQNPIDWDLLX-XAUMDUMWSA-N 371.364 2.466 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN[C@H](C(=O)O)C2)N1 587795603 RHGLYWADIXNBAK-SXKNGAHQSA-N 357.223 2.154 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN[C@H](C(=O)O)[C@@H]1C3 586989184 AIXNUUVDUSWVQI-YZRASEIHSA-N 372.380 2.464 0 1 FEAF CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1C(=O)O2)OCO4)OCO3 14513945 FMSAUXVLMOWFGE-FQEVSTJZSA-N 367.357 2.198 0 1 FEAF biogenic,in-vitro C[C@]1(c2cc(NC(=O)c3cncs3)ccc2F)N=C(N)OC[C@@H]1F 169702965 ANUKTVLUWWAZSN-SWLSCSKDSA-N 352.366 2.433 0 1 FEAF CC(=O)N1CCC(NC[C@@H]2Cn3cc(-c4ccc(C)cc4)nc3CO2)CC1 2356306665 PGBVEWGDBHSAFM-LJQANCHMSA-N 368.481 2.358 0 1 FEAF C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(F)c1 7564184 PDFSMQHQCAYHGT-WOSRLPQWSA-N 364.417 2.182 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)C3=C(C)C(=O)OC3=C[C@@]12O 2356393394 JEYGGYOYAPLJFZ-YJUSCCSISA-N 362.422 2.163 0 1 FEAF NCc1c(N)nc(N2CCOCC2)nc1-c1ccc(Cl)cc1Cl 27108678 DVMZLMUFYVFJJH-UHFFFAOYSA-N 354.241 2.328 0 1 FEAF CO[C@@H]1CC[C@@H](c2ccc(N3C[C@@H](CNC(C)=O)CC3=O)cc2)CCC1=O 26753215 XWKBCRDTRAIEOR-OXFYSEKESA-N 372.465 2.417 0 1 FEAF CC(=O)O[C@@H]1[C@H](C)[C@@H](C)O[C@]2([C@@H](C)[C@H]3OC(=O)[C@]2(C)C(=O)[C@H]3C)[C@@H]1C 28541929 CMTSHPFXBUQFIX-JIKIWIPYSA-N 352.427 2.134 0 1 FEAF COc1c(Br)cc2c(c1Br)OC[C@H](O)OC2 28652109 OSWWUIZBCASXSX-SSDOTTSWSA-N 353.994 2.448 0 1 FEAF O=C(N[C@H]1C(=O)N(c2ccccc2)C[C@@H]1C(=O)O)c1cc2ccccc2[nH]1 28252907 UAKPKMPDGGVRLK-WMLDXEAASA-N 363.373 2.014 0 1 FEAF COc1cc(/C=C/C(=O)OCc2c(-c3ccccc3)no[n+]2[O-])ccc1O 84741413 RGIMYCDRHHNFCS-CSKARUKUSA-N 368.345 2.446 0 1 FEAF CCC[C@H]1Oc2ccc(-c3cncnc3)cc2[C@]2(COC(N)=N2)C12COC2 149319918 XGNRRAYBEHJJDH-YLJYHZDGSA-N 366.421 2.262 0 1 FEAF CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 95903336 DGIMEPVAUFODOA-NUJGCVRESA-N 364.490 2.007 0 1 FEAF C=CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(Br)cc2)C1 618017380 JUCOCPVXKXRGPL-SNVBAGLBSA-N 359.245 2.183 0 1 FEAF COc1cc2c3c(c1)O[C@](C(=O)O)(c1cnn(C(C)(C)C)c1)[C@@H](C2)C3=O 587433575 ZGLGAUCHNCMZDR-ORAYPTAESA-N 356.378 2.374 0 1 FEAF Cc1c(I)cnn1[C@@H](C)c1nc2ncc[nH]c-2n1 587182159 MFFDVBVCJPNVBA-ZETCQYMHSA-N 354.155 2.023 0 1 FEAF Cn1cnc2cc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cnc21 963237195 WYEYLVMKPYAZFH-QZTJIDSGSA-N 359.389 2.205 0 1 FEAF CCOC(=O)COc1cc(O)c(C(=O)C(C)C)c(OCC(=O)OCC)c1 1772575421 XUHFBYYHJMJHFW-UHFFFAOYSA-N 368.382 2.115 0 1 FEAF N#CN1CC[C@@H](NC(=O)c2cc(N3Cc4ccccc4C3)ncc2F)C1 1857572300 GAWIURGBHVMFNQ-OAHLLOKOSA-N 351.385 2.026 0 1 FEAF CCn1ncc(C2=NO[C@@H](C(=O)Nc3ccccc3C(=O)OC)C2)c1C 4104244 QXCMRVUGCPGZBQ-MRXNPFEDSA-N 356.382 2.130 0 3 FEAF O=C(CN1CCN(CCO)CC1)N1c2ccccc2Oc2ccccc21 84409971 SWGBEONZWWQJCG-UHFFFAOYSA-N 353.422 2.067 0 1 FEAF Nc1nc2cc(-c3cncc(S(=O)(=O)Nc4ccccc4)c3)ccn2n1 95559984 UHGIAVQHWGJRKS-UHFFFAOYSA-N 366.406 2.174 0 1 FEAF C[C@]1(F)CCC[C@H]1Nc1c(C(N)=O)cnn2cc(N3CCOC3=O)cc12 146134863 XZNMUNVUOLAXON-DYVFJYSZSA-N 361.377 2.082 0 1 FEAF CCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)s2)c(C(N)=O)n1 299871618 YXBQNFFNFQZPRC-UHFFFAOYSA-N 372.454 2.177 0 1 FEAF COc1cccc2c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)cnc12 653733751 IIPLYINRVFDEAS-UHFFFAOYSA-N 371.824 2.417 0 1 FEAF O=C([C@@H]1COCCO1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656795 PDGJAZNOPUEHDX-INIZCTEOSA-N 372.327 2.397 0 1 FEAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587971003 QIQUJBAAZKHUIB-RNLVFQAGSA-N 365.214 2.111 0 1 FEAF Cc1cc2c(cc1O)[C@@](C)(c1ccc(CC(=O)O)s1)N[C@H](C(=O)O)C2 963469064 JRJLEQXQJMDEOY-UGSOOPFHSA-N 361.419 2.252 0 1 FEAF CN1CCN(Cc2nnc3c4c(cnn23)Sc2ccccc2N4)CC1 95864011 MIRPIRSKMBEKIC-UHFFFAOYSA-N 353.455 2.080 0 1 FEAF CNC[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)C)C1 5835652 ZHNUOESGVCOELD-GFCCVEGCSA-N 361.417 2.465 0 1 FEAF CNC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)C)C1 5835660 ZHNUOESGVCOELD-LBPRGKRZSA-N 361.417 2.465 0 1 FEAF CN(C)Cc1ccn2c(-c3cc[nH]c(=N)n3)c(-c3ccc(F)cc3)nc2n1 1857589508 AENHXIGVBHNYQY-UHFFFAOYSA-N 363.400 2.467 0 1 FEAF CCC(=O)[C@H](C)[C@@]1(O)C(=O)c2c(O)cc(C)c3c(OC)cc(O)c(c23)C1=O 1857645861 LZWUPSJLPSHLRU-GWNMQOMSSA-N 372.373 2.293 0 1 FEAF CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCOC)c2n1 4238833 GLMLJUYCWPWIJO-UHFFFAOYSA-N 361.352 2.210 0 1 FEAF O=C1OC[C@](O)(Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2 2356655941 BWMJBJJDRXPGGP-HXUWFJFHSA-N 368.341 2.058 0 1 FEAF CC(=O)O[C@H](C)[C@H]1c2c(c(O)c3c(O)cccc3c2O)C(=O)C[C@@]1(C)O 2356789822 DTIDZJSRRNTFKE-MKRACPEASA-N 360.362 2.329 0 1 FEAF CC(C)[C@@H]1C=C2[C@H](O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@@]2(O)[C@H](O)C1 238758140 LZYHFJPEGUWYFK-OFBXBTIBSA-N 352.471 2.343 0 1 FEAF Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 146987669 KMEFEDMLPJOXGG-GOSISDBHSA-N 363.421 2.489 0 1 FEAF O=C(O)CCN(CCc1nc2nc(Cl)c[nH]c-2n1)Cc1ccccc1 587193879 UQIXKVUXDXCFFL-UHFFFAOYSA-N 359.817 2.477 0 1 FEAF O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=O)c2ccccc2OS1(=O)=O 957936837 ZDZMRZHVNOEJGI-AWEZNQCLSA-N 351.767 2.252 0 1 FEAF COC(=O)Cc1ccccc1[C@@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963473788 TWJINTXJONQVAM-KXBFYZLASA-N 355.390 2.104 0 1 FEAF COc1cc(C(=O)N[C@@H](CN)Cc2ccccc2)ccc1-c1cn[nH]c1 1772609186 SJHKIJFJOUJEAT-QGZVFWFLSA-N 350.422 2.385 0 1 FEAF O=C(C1=C[C@H](C2CC2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 13656747 KYIHSTYPHLACSH-AZUAARDMSA-N 373.449 2.211 0 3 FEAF Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccnc2)cc1C 201448884 RIAKHMCCKURDAM-KRWDZBQOSA-N 359.451 2.490 0 3 FEAF Cc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1C(N)=O 1857540968 CBHUCZWAEYUEPS-UHFFFAOYSA-N 372.388 2.475 0 1 FEAF CNc1cc(=Nc2cc(C)cc(C)c2)[nH]n2c(C(=O)NC3CC3)cnc12 1857772052 UNAWOCNJDJPOHK-UHFFFAOYSA-N 350.426 2.446 0 1 FEAF C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 2923863 JDHMBNGUALYYBZ-WBVHZDCISA-N 371.547 2.124 0 1 FEAF COc1cccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@H]3c3ccccc3)N2)c1 4279782 AECZFPYHFOAHRO-QGZVFWFLSA-N 361.405 2.132 0 1 FEAF CCN1c2ccccc2N(C(=O)CN(C)C)c2ccccc2S1(=O)=O 28765323 IPBNUZKCLNYUMD-UHFFFAOYSA-N 359.451 2.442 0 1 FEAF CCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccccc2)c1=O 45387165 WGYZMGPUBMMHCO-UHFFFAOYSA-N 350.378 2.138 0 1 FEAF Cn1c(N)nc2c(Oc3ccc4c(c3)CN(CCC(=O)O)C4=O)cccc21 40393736 FZSPARDKXKVYGG-UHFFFAOYSA-N 366.377 2.378 0 1 FEAF CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC3)CC2)c2ccccc21 49033492 DJJKPUGBUZJPET-UHFFFAOYSA-N 356.470 2.129 0 1 FEAF FCCCc1c(Cn2ccnc2-c2ncccc2F)ncn2ncnc12 135694755 KNMRDOVCUPQPTJ-UHFFFAOYSA-N 355.352 2.472 0 1 FEAF Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)NC2CC2)cn1 141390568 BGGSFRYHUXBRMW-UHFFFAOYSA-N 351.366 2.306 0 1 FEAF O=C1O[C@@H](CO)CN1c1ccc(-c2ccc(N3CCOC3=O)nc2)c(F)c1 96922452 AHAMSKDJURRXIG-CYBMUJFWSA-N 373.340 2.162 0 1 FEAF CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)NC(N)=S)cc1 95552210 QNOUVBQVUJHASU-CQSZACIVSA-N 354.497 2.114 0 1 FEAF CO[C@@H]1CC[C@H](c2ccc(N3C[C@H](CNC(C)=O)CC3=O)cc2)CCC1=O 253930670 XWKBCRDTRAIEOR-XAUMDUMWSA-N 372.465 2.417 0 1 FEAF COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)c(OC)c1 653899354 FHGWADLDFUTPNV-CQSZACIVSA-N 365.455 2.001 0 1 FEAF COC(=O)CC[C@H](N)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587258292 FPDWUCPEBWRLAV-VIFPVBQESA-N 370.203 2.065 0 1 FEAF O=S(=O)(NCCc1nc2cnncc2[nH]1)c1c(Cl)cccc1Cl 586941923 DRKGUQLRKVICHQ-UHFFFAOYSA-N 372.237 2.181 0 1 FEAF NS(=O)(=O)Cc1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 586929961 KCNSGZUMEHOCCH-UHFFFAOYSA-N 367.228 2.176 0 1 FEAF Cc1nccc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c12 586945992 FHTVSBZQWPRCCW-CQSZACIVSA-N 372.450 2.391 0 1 FEAF CCOC(=O)c1c(N)sc2c1CCc1cc3c(O)nc(O)nc3nc1-2 587563510 INBKQZOAVHBZNO-UHFFFAOYSA-N 358.379 2.022 0 1 FEAF COc1cncc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c12 586942002 ZGCZOCQTPUALAH-BQYQJAHWSA-N 358.423 2.365 0 1 FEAF COC(=O)[C@@H]1C(=O)C[C@]2(C[C@@H]1C)NCCc1c(OC)ccc(Cl)c12 963268912 BBBGOQYFKLOUTD-RNCGHPTOSA-N 351.830 2.478 0 1 FEAF CN1c2ccsc2C(=O)[C@@H](C(=O)Nc2ccc(Cl)cc2)S1(=O)=O 18140200 OGZMSDOTGFGDAU-ZDUSSCGKSA-N 370.839 2.371 0 1 FEAF CC1=C(C(=O)NCc2ccc3c(c2)OCO3)[C@H](c2ccccc2)NC(=O)N1 1772657671 ZVEFPYGSXOJMGK-SFHVURJKSA-N 365.389 2.360 0 1 FEAF CN1CCCCC[C@@H]1C(=O)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 11981222 OPTQXHBMGQPWHE-PKOBYXMFSA-N 366.465 2.438 0 1 FEAF COc1nc2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1C 200022548 JVFCSMWTGNGEQM-UHFFFAOYSA-N 355.419 2.422 0 1 FEAF COc1cc(CCn2cnc3sc4c(c3c2=O)CCNC4)cc(OC)c1 1857540403 WOTHIQVQGXAGOG-UHFFFAOYSA-N 371.462 2.364 0 1 FEAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCC[C@@H](C)O 29339571 GCTXIRBZSHJNFY-GFCCVEGCSA-N 357.882 2.144 0 1 FEAF CC(=O)OC[C@]1(O)[C@H]2C[C@H](O)[C@]34C=C(C)[C@H](CC[C@H]3[C@]2(C)CC[C@H]1O)C4 103284778 PVYLOHPFFJHABJ-VTQWAPMXSA-N 364.482 2.185 0 1 FEAF COCCNC(=O)[C@]1(C)Cc2c(-c3ccc(NC(C)=O)cc3)ccnc2O1 61908187 LBUIHATYFNYGTP-FQEVSTJZSA-N 369.421 2.163 0 3 FEAF O=C(NC1CCCCC1)c1nnc2n1CCN(Cc1cccc(O)c1)C2 74376868 FNHKOGDVHPKNME-UHFFFAOYSA-N 355.442 2.062 0 3 FEAF Cc1cccc(-n2ncc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)c1 147006030 SPRKLMFRQUFLSB-LJQANCHMSA-N 363.421 2.489 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)C=C3OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C 95909470 CWQFFFQIMPZPEO-KOIMIFIUSA-N 362.422 2.163 0 1 FEAF biogenic,in-vitro C/C=C1\CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@]4(CO)C(=O)OC 257622255 XLHUHYFKFFGUFE-ARBMASIUSA-N 352.434 2.216 0 1 FEAF CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ncc(C)s1 71745165 NLPVAWKCOCZFSQ-SFHVURJKSA-N 370.434 2.389 0 1 FEAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@]1(COC13CN(C(=O)OC(C)(C)C)C3)O2 587402136 YYVSXKUDOLSVCC-GOSISDBHSA-N 360.410 2.301 0 1 FEAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587935275 HOSRRGZELJLKKW-APPDUMDISA-N 350.382 2.384 0 1 FEAF COc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)n1 587576147 MUSVBNNSCDAKBO-RHSMWYFYSA-N 365.345 2.476 0 1 FEAF COC(=O)[C@@H]1C[C@]2(CCN1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587592815 HISUELYHRYQZHH-RISOHXOYSA-N 369.373 2.018 0 1 FEAF O=C(O)c1cccc2c1CCN[C@]21[C@H]2CO[C@H]1CN(Cc1ccccc1)C2 963130424 IURGVBSGZRGAJI-QGCDCVKKSA-N 364.445 2.257 0 1 FEAF O=C(NC1COC1)c1cc2c(N3CCC[C@@H]3c3ccccn3)ccnc2[nH]1 1772650677 JHSXSAMKAGPNIF-GOSISDBHSA-N 363.421 2.428 0 1 FEAF CCNc1n[nH]c2cc(NC(=O)NCc3cccnc3N(C)C)ncc12 1772656847 ASRWOZRZIHCDBV-UHFFFAOYSA-N 354.418 2.172 0 1 FEAF O=C(OC1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2ncccn2)c2ccccc12 1772618981 VERAERUWSZFJSG-YIONKMFJSA-N 364.405 2.097 0 1 FEAF COc1ccccc1CN1CCC[C@H](n2cc(C(=O)N3CCCC3)nn2)C1 12133135 NRVACGBMWAPSFI-KRWDZBQOSA-N 369.469 2.360 0 1 FEAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 13131361 IAOWFOHKUGTHSM-LLVKDONJSA-N 368.846 2.103 0 3 FEAF C[C@H]1C[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 169305609 VHCBVNYAJHXYLS-MUOWQTLBSA-N 369.461 2.162 0 1 FEAF O=C1C[C@@]23CCN(CC4CC4)[C@@H]4C[C@@H](O)[C@H]1C[C@]42Cc1ccc(O)cc13 207623009 LOXFETCCXNYJIL-QKINTPNGSA-N 353.462 2.401 0 1 FEAF CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 6859988 RNSAKRHYCKLORM-XCCSTKFXSA-N 374.466 2.187 0 1 FEAF O=C1CSC(=O)N1CCCCCCNS(=O)(=O)c1ccccc1 103219083 RSPWSSQOYCAOKY-UHFFFAOYSA-N 356.469 2.221 0 1 FEAF C[C@H]1C(=O)O[C@]23CC[C@]4(C)C(=O)OC[C@@]45O[C@](c4ccoc4)(C[C@H]1[C@]52C)O3 100659966 MIZCOUBLUGPQEO-TTWNKRNESA-N 374.389 2.490 0 1 FEAF CC1=CC(=O)N(Nc2nc(-c3cccs3)ncc2-c2nnc(C)o2)C1=O 29394978 CWMSEWLBVPSYON-UHFFFAOYSA-N 368.378 2.206 0 1 FEAF CC=C(C)[C@H](O)[C@H](C)C=C[C@H](O)[C@H](C)[C@H](O)C[C@@H]1CC(OC)=CC(=O)O1 2356693149 ZSCSHJBZNPXUQJ-PQRWYPCUSA-N 368.470 2.100 0 1 FEAF Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1 39036155 JDRSQGJWTVRNGM-QFBILLFUSA-N 373.932 2.136 0 1 FEAF in-vivo CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)cn1 211030412 AWBJVQCGEWMAGP-UHFFFAOYSA-N 374.452 2.109 0 1 FEAF CC(C)[C@@H]1COCCN1c1cc(-c2ccc3c(N)[nH]nc3c2)nc(N)n1 71317573 GMHWZMRUVIRLHT-HNNXBMFYSA-N 353.430 2.046 0 1 FEAF O=C1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 43197133 TZKWXSZXKCDRLK-UHFFFAOYSA-N 355.369 2.032 0 1 FEAF CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F 95794004 NBCYIGRVNZFJGW-GDBMZVCRSA-N 356.388 2.390 0 1 FEAF C[C@@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccccc1 95580713 YNLYLPHADLWJIV-CQSZACIVSA-N 364.453 2.133 0 1 FEAF CCC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)/C=C/CCC/C=C\[C@@H](O)C1=CC=CCC1 238764941 RDGMNPKVEAUIJA-POAOYNAQSA-N 366.498 2.150 0 1 FEAF Cc1nn(Cc2ccc3c(O)nc(O)nc3n2)c(C)c1Br 587367108 SPTOAYOHWZSOTL-UHFFFAOYSA-N 350.176 2.060 0 1 FEAF CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1Cl 587065070 LFESYGXONGSADW-UHFFFAOYSA-N 369.834 2.255 0 1 FEAF COc1ccc(C(=O)[C@@H]2CCCN(C(=O)Cn3ccc(C)n3)C2)cc1OC 12058511 MDFHZTJYPRUWGH-MRXNPFEDSA-N 371.437 2.330 0 3 FEAF COCCc1nc2ccc(C(=O)NCc3cn4nc(C)sc4n3)cc2o1 12314321 PXBJYQVXHNDWHX-UHFFFAOYSA-N 371.422 2.359 0 1 FEAF O=C(NC1CC1)c1ccc(OCc2conc2[C@@H]2CC[C@@H](F)CN2)nc1 169685449 GKERFUDNQOHVJH-HIFRSBDPSA-N 360.389 2.303 0 1 FEAF C#CCNc1nc(-n2cc(-c3ccccn3)cn2)nc(N)c1Br 217081980 AILVOCMYPOOJFN-UHFFFAOYSA-N 370.214 2.114 0 1 FEAF O=C([C@@H]1CNC[C@H]1c1ccccc1)N1CCOC[C@H]1Cc1ccccc1 73224671 XYNUWIKQRZQEBQ-QHAWAJNXSA-N 350.462 2.460 0 1 FEAF CCOC(=O)c1cnc2c(cnn2CC)c1NS(=O)(=O)c1ccccc1 40891894 HDCKODMRMWYHKK-UHFFFAOYSA-N 374.422 2.429 0 1 FEAF COC[C@@H]1CC[C@H](C)N1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1 40863249 VFZQDRIKYWPIDY-WFASDCNBSA-N 358.446 2.241 0 1 FEAF CCC[C@H]1Oc2ccc(-c3cncnc3)cc2[C@@]2(COC(N)=N2)C12COC2 149319481 XGNRRAYBEHJJDH-XLIONFOSSA-N 366.421 2.262 0 1 FEAF CC[C@]1(O)C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@H]24 149692465 CPNXQIOMUYAVKQ-NHOOAETJSA-N 354.450 2.416 0 1 FEAF COC(=O)Cc1cc(OC)n(-c2n[nH]c(-c3ccccc3F)n2)c1OC 587946199 RMPTWYSPUPMZNK-UHFFFAOYSA-N 360.345 2.134 0 1 FEAF O=C(O)c1cc2c(c(CCn3cnc4c3NC=NC[C@H]4O)c1)CCCC2 13861925 QYLCLEVVCQXKFN-MRXNPFEDSA-N 354.410 2.190 0 1 FEAF Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 15936411 YKIYZHNBRKYEBH-MRXNPFEDSA-N 372.444 2.297 0 3 FEAF Cc1c(C(=O)N2CC3(C2)CC(F)(F)C3)cnn1-c1nc(O)c2[nH]ccc2n1 1857579098 QQFAJQTXAYVFSG-UHFFFAOYSA-N 374.351 2.029 0 1 FEAF COC1=CC[C@]23CCN(C)[C@@]24C[C@@H](O[C@]14O)c1ccc(OC)c(OC)c13 2356354734 AKMIHNAUTMLDGR-PPRPKMEESA-N 359.422 2.114 0 1 FEAF Cc1cc(-c2n[nH]c3c2CN(C(=O)[C@H]2CC(=O)OC24CCCC4)CC3)no1 23192895 TYNFKAKKWZHGGL-CYBMUJFWSA-N 370.409 2.134 0 1 FEAF COc1cc2c(c3occc13)C[C@@H]1OC(=O)[C@@]3(C)[C@H]1[C@]21CC[C@@]3(O)OC1 2356678129 UNPXGINTSIBWLZ-ARSBKQPYSA-N 356.374 2.296 0 1 FEAF COC1(/C=C/C(=O)OCc2ccc3c(ccc(=O)n3C)c2)CCOCC1 27559894 GKKFCFOIYDMVAM-BQYQJAHWSA-N 357.406 2.334 0 1 FEAF CCC(=O)N1CCC(NC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 64540318 RXJMUKVOEAYTKY-UHFFFAOYSA-N 360.458 2.046 0 1 FEAF O=c1ccc(C(F)(F)F)cn1Cc1ccc(NCCOCCO)cc1 73312799 USDXDYDHRLSSFC-UHFFFAOYSA-N 356.344 2.336 0 1 FEAF CCOc1ccc2c(c1)n1ncc(C(=O)c3ccc(OC)cc3)c1[nH][n+]2=O 514290454 IIVPIUVPMDDBCR-UHFFFAOYSA-O 365.369 2.368 0 1 FEAF OC[C@@H]1[C@@H](c2ccc3c(c2)OCO3)O[C@@H](O)[C@@H]1Cc1ccc2c(c1)OCO2 238750866 UKAWKJJAYPMFJL-RYMBOPBQSA-N 372.373 2.001 0 1 FEAF CC(C)NC(=O)Nc1cccc2c1O[C@@H](CN(C)C)[C@@H](C)CN(C)C2=O 95661020 MYMBASSDCIJSQK-BBRMVZONSA-N 362.474 2.247 0 1 FEAF CC(C)NC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCC3)C[C@@H]21 95893510 IOKLGKMDMHJSKZ-RCCFBDPRSA-N 357.454 2.080 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587232242 URKJTGCXNVJCRZ-QWRGUYRKSA-N 363.389 2.437 0 1 FEAF CCOc1ccccc1[C@@H]1CC(=O)Cc2nc3nc(O)nc(O)c3cc21 587559101 FJFIFJXYUOJLMI-LBPRGKRZSA-N 351.362 2.482 0 1 FEAF Fc1cc2c(c(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)c1)OCOC2 587171846 TZOVCOJUFRNJEP-UHFFFAOYSA-N 352.329 2.135 0 1 FEAF COc1ccc(CNc2nc(CC(N)=O)nc3ccccc23)cc1OC 1772636789 BLBJFWLORCOHBS-UHFFFAOYSA-N 352.394 2.287 0 1 FEAF O=C(O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1O 13823380 MWDCVVUQLSYYPR-BQYQJAHWSA-N 365.319 2.106 0 1 FEAF C[C@]12CC=C3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]1[C@@H]1C=C[C@@]2(O)C(=O)O1 169495480 KVIOMDMYQSLLQA-LVNOUGRESA-N 356.374 2.453 0 1 FEAF OC1CCN(c2ncnc3c2nnn3Cc2c(F)cccc2Cl)CC1 1347384 UHOUASRWZDWQLB-UHFFFAOYSA-N 362.796 2.023 0 3 FEAF C[C@]1(CO)[C@H](O)CC[C@]2(C)[C@H]1CC=C1C[C@H]3C[C@@]12CC[C@@]3(O)C(=O)O 2356326242 VZCNFBDSJFYVOH-UYXVUSGVSA-N 350.455 2.098 0 1 FEAF CN1C(=O)[C@]2(N=c3ccccc3=C3Nc4ccccc4N32)c2ccccc21 104028252 DSGLDBPKJTYIDH-QFIPXVFZSA-N 352.397 2.147 0 3 FEAF COc1cccc(-c2cnn(C(C)(C)C(=O)NCc3ccccn3)c2)n1 74387588 OOTDUWQUCMMFTN-UHFFFAOYSA-N 351.410 2.400 0 1 FEAF O=C([C@@H](Cc1ccccc1)NC(=O)n1nnc2ccccc21)N1CCCC1 28111430 KASKVYODSVQKND-QGZVFWFLSA-N 363.421 2.223 0 1 FEAF O=C1N=C(O)C[C@]12c1ccccc1S(=O)(=O)N2Cc1ccccc1F 27523886 UFXNOXXLLVTDCN-KRWDZBQOSA-N 360.366 2.112 0 1 FEAF N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC2CCCC2)cc1 45357401 LALPVLXDCXEYDO-KRWDZBQOSA-N 356.470 2.158 0 1 FEAF NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1CC[C@@H](O)C3 223024592 BRYWNCYUZQAGMJ-WHEACTPUSA-N 370.493 2.320 0 1 FEAF CC(=O)N[C@H]1CCN(c2ncc(C)c(NCCc3ccc(F)cc3)n2)C1 82203743 QFZIXYFMYIAPNR-KRWDZBQOSA-N 357.433 2.294 0 1 FEAF COC[C@H](Cc1ccccc1)Nc1nc(N(C)CCN(C)C)ncc1C 82202813 LPJQDFRZQHKVDX-SFHVURJKSA-N 357.502 2.452 0 1 FEAF NC(=O)c1sc2nccc(N3CCCN(c4ccncc4)CC3)c2c1N 95603821 PPPCFXRJVWSNCM-UHFFFAOYSA-N 368.466 2.089 0 1 FEAF COC(=O)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594859 PMBVWLOYGUXCFU-KXBFYZLASA-N 356.330 2.245 0 1 FEAF CN(Cc1nc2ccc(CCO)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169699 HVUSDRNDCYARER-UHFFFAOYSA-N 363.414 2.058 0 1 FEAF Cc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 586955362 PODPALPQACYLGG-UHFFFAOYSA-N 356.451 2.438 0 1 FEAF Cc1c(F)ccc([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1C 963223019 PCIVUWJZSDLIJD-XYJFISCASA-N 368.412 2.013 0 1 FEAF Cc1c(O)ccc2c1[C@@](C[C@@H]1CCCN1)(c1ccco1)N[C@H](C(=O)O)C2 963511871 VTDRPXLNFFYBTE-AUSJPIAWSA-N 356.422 2.278 0 1 FEAF COC(=O)c1occc1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228956 PENHFCZTTUOSRT-HOTGVXAUSA-N 352.346 2.303 0 1 FEAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCC(=O)OC)CCC2 14966520 OOXSSXPKHGFWIG-UHFFFAOYSA-N 355.442 2.186 0 1 FEAF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCCO 169622079 NHVNZXCFDPPHDO-UYFMDZAVSA-N 368.470 2.224 0 1 FEAF O=C(c1cocn1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)CC1 1857609765 AFMVRVIXWIUOFA-KRWDZBQOSA-N 352.394 2.486 0 1 FEAF CCNC(=O)NC[C@@H]1C=C(C)[C@@H](CC(=O)NCCN(C)C)C[C@H]1C(C)C 2356425444 NKCPVLNVIPRTEW-SQNIBIBYSA-N 366.550 2.228 0 1 FEAF COc1cc(O)c2c(c1)[C@H]([C@@H]1CC[C@H](O)[C@@]3(CCC[C@H](C)O3)O1)OC2=O 2356501118 OJAFRAAQCYCPAI-HNZZQMFXSA-N 364.394 2.438 0 1 FEAF NC(=O)C(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1 28117499 WZTNPHFOJHRARP-UHFFFAOYSA-N 362.794 2.200 0 1 FEAF CCOC(=O)CCC(=O)N1CCS[C@H]1COc1ccccc1OC 27564095 VZVZUNCYCIVOQN-INIZCTEOSA-N 353.440 2.319 0 1 FEAF COc1ccc(C[C@@H]2C(=O)OC[C@H]2[C@H](O)c2ccc(OC)c(O)c2)cc1O 212776537 YNOCUODOFOEIFZ-IQUTYRLHSA-N 374.389 2.180 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2c(C)c(F)c(N3C[C@H](C)N[C@@H](C)C3)cc21 40503554 PJEHPXCSJZYBDN-QWRGUYRKSA-N 361.417 2.354 0 1 FEAF COc1cc2c(cc1O)[C@@H]1Cc3cc(OC)c(O)c(OC)c3C(=O)N1CC2 49793061 VJKLBWMPXONGIG-ZDUSSCGKSA-N 371.389 2.419 0 1 FEAF biogenic O=C(NCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1cscn1 587028776 WMZJNPDGSNESTI-UHFFFAOYSA-N 362.724 2.363 0 1 FEAF COc1ccc(CN2CCC(=O)N([C@H](CO)CC(C)C)CC2)cc1OC 12474373 MSGRUJGLHVPFJK-KRWDZBQOSA-N 364.486 2.145 0 3 FEAF COc1ccccc1N1CCN(CCN2CCc3ncsc3CC2)CC1 1857552005 MKGANIZVJZGXEI-UHFFFAOYSA-N 372.538 2.375 0 1 FEAF COC(=O)CN(c1ccc(C(C)(C)O)cc1)S(=O)(=O)c1ccccc1 1857651416 ARCDBJRJSBUHIN-UHFFFAOYSA-N 363.435 2.282 0 1 FEAF CNCCNC[C@@H]1CCC[C@]12C[C@@H]1[C@H]2[C@@H](O)C[C@@]2(C)CCC[C@@]1(O)C2 2356365432 MGICYJJSAWMNGJ-ATWVFEABSA-N 350.547 2.294 0 1 FEAF C[C@H]1CC[C@H]2C(=O)NC[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 8585522 CBJAXLVQLSPOSC-HJPIBITLSA-N 353.260 2.081 0 1 FEAF O=C1N[C@H](C(=O)O)Cc2cn(cn2)CCCCOc2ccc(Cl)c1c2 103260935 CNVZYIOAIFJZCD-HNNXBMFYSA-N 363.801 2.135 0 1 FEAF CC(C)[C@]1(O)CC[C@@H]2C(=C[C@H](O)[C@H]3[C@@]2(C)CCC[C@@]3(C)C(=O)O)[C@H]1O 2356521963 SECUAKPOJHKDJF-LODOXEDVSA-N 352.471 2.343 0 1 FEAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](OC(=O)C(C)=CCO)C1 2356539851 CFUOHDSKOJEYFL-LAVFITLUSA-N 364.438 2.063 0 1 FEAF CCCNC(=O)[C@@]1(C)CCCN(Cc2noc(-c3c(C)noc3C)n2)C1 61930304 GRQLWAWXKWPDQE-SFHVURJKSA-N 361.446 2.470 0 3 FEAF CCOC(=O)N1CCC(N2CC[C@H](NC(=O)c3ccccc3C)C2)CC1 73168753 QRLQPVHEUVXQSD-INIZCTEOSA-N 359.470 2.420 0 1 FEAF CCCC(=O)O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 40933188 HSXFFYXJBILABT-VVHHDAOASA-N 357.406 2.100 0 1 FEAF Cc1cccnc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl 142510901 FFCMYOJLTXOKRM-UHFFFAOYSA-N 366.874 2.187 0 1 FEAF C[C@H](O)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1 149247941 WVOQEAUFVNPCJM-ZDUSSCGKSA-N 362.433 2.500 0 1 FEAF CCCS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)OCO4)CC1 586951923 BKYRLYRVROEKON-UHFFFAOYSA-N 351.428 2.211 0 1 FEAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2c(Cl)ccnc2[nH]1 587227672 RUJDKLDJGWLOMI-UHFFFAOYSA-N 373.800 2.154 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(C(=O)OC)c2[nH]1 587232100 TUOFGPJQDBSVFN-QWHCGFSZSA-N 359.426 2.386 0 1 FEAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(O)nc(N)nc2[nH]1 587189513 ATLWDCGLPPJVPQ-GFCCVEGCSA-N 370.413 2.597 0 1 FEAF NC(=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587150810 UFDPAGZWTFKZKH-GFCCVEGCSA-N 370.359 2.456 0 1 FEAF COc1cccc2cc3c(nc12)[C@](CC(C)=O)(c1cnn(C)c1)NCC3 963044016 BMEDBLRYJNMWTA-FQEVSTJZSA-N 350.422 2.345 0 1 FEAF COCCCNC(=S)N1CCN(c2nc3ccccc3s2)CC1 13556410 XTPKZEZBLOOYBR-UHFFFAOYSA-N 350.513 2.329 0 3 FEAF COCC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 13862015 JOOITSNPEJONKV-HOCLYGCPSA-N 364.442 2.048 0 1 FEAF Cc1cc2ccccc2c(=O)n1CC(=O)N1CCN(c2ccccn2)CC1 3654768 INPGTPGMMFRHBN-UHFFFAOYSA-N 362.433 2.054 0 1 FEAF CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C)n[nH]c2-3)C(=O)O1 3820990 DFDVUDJMOQDRCJ-HNNXBMFYSA-N 354.410 2.335 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Oc1cccc2cccnc12 4977877 KKGUIGJTXRCKEZ-MHGIMSBQSA-N 362.385 2.337 0 1 FEAF COc1cc(C[C@H]2CO[C@@H](O)[C@@H]2Cc2ccc3c(c2)OCO3)ccc1O 14760270 JVSMRGQVKRWGGM-BXTJHSDWSA-N 358.390 2.496 0 1 FEAF COc1cc(OC)cc([C@H]2C3=C(CNC3=O)Nc3cc4c(cc32)OCO4)c1 42877972 XCRKSPBKKOOBEO-GOSISDBHSA-N 366.373 2.374 0 1 FEAF NCCOc1c(-c2ccc3c(c2)OCCO3)[nH]c(=O)c2cc(F)ccc12 149298031 OKZVWHVKFPRNLX-UHFFFAOYSA-N 356.353 2.443 0 1 FEAF Nc1ncnn2c([C@H]3CCCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12 223127432 ZRCJEYZLDGRQCQ-JTQLQIEISA-N 359.380 2.216 0 1 FEAF COCCNC(=O)Nc1cc2[nH]nc(-c3ccc4cn(C)nc4c3)c2cn1 261175377 UTIAUJLENVOXIR-UHFFFAOYSA-N 365.397 2.280 0 1 FEAF COC(=O)C[C@]1(c2c(C)nn(C)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431281 JNBTZHSTSZRYCV-VLIAUNLRSA-N 370.405 2.252 0 1 FEAF CCOC(=O)Cn1cc([C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)nn1 963114462 TUDSMYDURCCVJK-LIRRHRJNSA-N 358.417 2.264 0 1 FEAF CC=C1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]4([C@H]2C(=O)OC)[C@H]2[C@H](OC)ON3[C@@H]12 2356803375 XAPXZORJNSUNGB-VUYNEZGLSA-N 366.417 2.366 0 1 FEAF CS(=O)(=O)c1ccc(-c2ccc(/C=C3/NC(=S)NC3=O)s2)cc1 103224349 LSAATOAIMHPTGE-XYOKQWHBSA-N 364.473 2.164 0 1 FEAF O=C(c1cnccn1)N1CCOC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 2356299510 JDJMPCDIKJYBSE-AWEZNQCLSA-N 367.327 2.415 0 1 FEAF CC(C)C(=O)c1c(O)c2c(c3c1OC(C)(C)[C@H](O)C3)O[C@@H](C(C)(C)O)C2 2356526705 ICOCIMFFQBVFCG-CHWSQXEVSA-N 364.438 2.380 0 1 FEAF CC=C1CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 2356635274 UZSZSSQLCSRDPY-YSDSKTICSA-N 356.466 2.386 0 1 FEAF O=Cc1cccc(OCCCNC2=NS(=O)(=O)c3cscc32)c1 29309516 JCXRZCYUGQGBES-UHFFFAOYSA-N 350.421 2.068 0 1 FEAF c1ccc([Sn-](c2ccccc2)c2ccccc2)cc1 195803421 CPBGJQBBJOIDLE-UHFFFAOYSA-N 350.029 2.203 0 1 FEAF in-vitro C[C@H](O)CCC[C@@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 85943636 WTJYDBMHYPQFNJ-PGZKDHMPSA-N 368.470 2.222 0 1 FEAF CC(C)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCc1ccccc1 199248320 BNPPSELGQVHQGD-KRWDZBQOSA-N 351.406 2.174 0 3 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCNC(=O)C3)cc1)O2 587402173 ZCNBGFFGIMHMNR-SFHVURJKSA-N 351.406 2.220 0 1 FEAF CC(C)c1nn(C)c2c1[C@@]1(NCC2)[C@H]2[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]42)[C@@H]1[C@@H]5C31OCCO1 962915027 SYYSULQZQFEGQS-NIFXVVEZSA-N 367.493 2.015 0 1 FEAF C[C@@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)NCCc2ccc(O)cc21 963342093 QVVVJLRXZJEKOE-AZUAARDMSA-N 351.406 2.115 0 1 FEAF CC[C@]1(c2c[nH]c(C(=O)NCc3ccco3)c2)c2c(cnn2C)CCN1C 963955424 PRSOUSDIUSIEHS-FQEVSTJZSA-N 367.453 2.413 0 1 FEAF NC(=O)c1coc([C@H]2[C@H]3CC[C@@H](O3)[C@@H]2Cc2ccccc2CCC(=O)O)n1 169304377 FOBQHMSFYXBCHJ-AAJLLMFJSA-N 370.405 2.294 0 1 FEAF CCCCNC(=O)Nc1c(C(N)=O)c2n(c1C(=O)OCC)CCCCC2 3597188 RWZGYFQWQFSRTM-UHFFFAOYSA-N 364.446 2.412 0 1 FEAF CCCS(=O)(=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 28648974 AHSKSZVCBYEFJZ-UHFFFAOYSA-N 358.441 2.415 0 1 FEAF O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCC[C@@H]1c1nnn[nH]1 116296359 ZLRWOMPEFRVEGD-OAHLLOKOSA-N 370.438 2.178 0 1 FEAF COc1ccc([C@@H]2[C@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 26163911 GGHZFSBKUGDMDX-SJORKVTESA-N 359.378 2.170 0 1 FEAF C[C@]12CC[C@@H]3[C@]45CC[C@H](O)C[C@]4(O)CC[C@@]3(OC5)[C@H]1CC[C@@H]2C(=O)O 2356655825 MAUIYISYPHUCFP-DTMCMCHMSA-N 350.455 2.339 0 1 FEAF Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(C)c(C)nc3C)CC2)cc1 40939708 SEZZDWAHCIPPNM-UHFFFAOYSA-N 374.510 2.217 0 1 FEAF CC(=O)NC[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(C)=O 95895443 KYJOFADOQIGSII-PWRODBHTSA-N 370.424 2.304 0 1 FEAF CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@@H]1CC(=O)N(C)CCO 25429485 HJRFKBONYRDAKB-HZPDHXFCSA-N 364.486 2.090 0 1 FEAF biogenic Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cnc(Cl)[nH]c-3n2)cc1 586940897 JMOAVVDPSYODNS-VOTSOKGWSA-N 363.830 2.357 0 1 FEAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587071082 VVZUZDMRAWMLHE-LLVKDONJSA-N 364.858 2.149 0 1 FEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(Cl)ccnc2[nH]1 586930330 PRPSQDWSDQPACR-UHFFFAOYSA-N 352.803 2.146 0 1 FEAF CCCCNS(=O)(=O)c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1 586915354 DEXSYXOXYHJSPL-MRXNPFEDSA-N 367.471 2.101 0 1 FEAF Cn1cc([C@]2(C(=O)O)c3cccc(F)c3CCN2[C@H]2CCSC2)cn1 962721760 WNKYDRPSBORLKV-SCLBCKFNSA-N 361.442 2.251 0 1 FEAF Cc1cc2c(cc1O)[C@@H](c1c(C(=O)O)ccnc1Cl)N[C@H](C(=O)O)C2 963523471 HWUXVVGRDYTBHN-FZMZJTMJSA-N 362.769 2.136 0 1 FEAF COc1ccc(CN2CCC(=O)N([C@H](CO)c3ccccc3)CC2)cc1 12474555 FTMHQABDFQQUIH-HXUWFJFHSA-N 354.450 2.463 0 3 FEAF CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(/C=C\F)c3c2F)CC1 13643309 AYLBCUKRYLCKCA-IHWYPQMZSA-N 367.327 2.127 0 1 FEAF CC(C)N1CC[C@H]2CN(S(=O)(=O)c3ccccc3)CC[C@H]2CC1=O 15673047 CZBNLFXSRPALSY-HOTGVXAUSA-N 350.484 2.344 0 1 FEAF biogenic CC(C)(O)CNC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 166664038 OFRANRBFXAIQHJ-UHFFFAOYSA-N 354.410 2.130 0 1 FEAF CC(=O)N[C@@H]1CC(=O)[C@]2(CC(=O)O[C@@H]2C=C(C)CCC=C(C)C)C[C@H]1O 2356426741 IFURIYNUZYASFB-QQTQMKHKSA-N 363.454 2.210 0 1 FEAF CCOCC[S@@](=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 29123291 FZYQMBIXCLWGTB-DEOSSOPVSA-N 372.468 2.375 0 1 FEAF CO[C@]12CC[C@]3(C)[C@H](CC[C@@]45C[C@@H](CC[C@H]43)[C@](O)(CO)C5)C1=CC(=O)N2 2356543302 KTNZRKKLKVMLHB-MWAOYSIYSA-N 361.482 2.125 0 1 FEAF CC=C1CCN2CC[C@]34c5ccccc5N(C)[C@@]23C(=O)[C@H]1[C@@H]4C(=O)OC 2356726868 YYLPGHZHHLOGDL-DGQTTZFYSA-N 352.434 2.114 0 1 FEAF CC(C)c1cc2ncccc2cc1Oc1cnc(NC(CO)CO)nc1N 35298219 KCZUMNWQLCTNDE-UHFFFAOYSA-N 369.425 2.288 0 1 FEAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@H](N3CCCCCC3=O)CN1CC2 45347166 HNCSYKUUKHXRCJ-FGTMMUONSA-N 373.497 2.105 0 1 FEAF N[C@@H]1NC=Nc2c(CN3C[C@H](O)[C@H](CSC4CCCCC4)C3)c[nH]c21 261135794 LZLVASUZAHQVLG-DHSIGJKJSA-N 363.531 2.094 0 1 FEAF Cn1cc(S(=O)(=O)N2C[C@@H](c3ccccc3)C(c3ccccn3)=N2)cn1 653837946 YRFVSLUTTZFYFD-INIZCTEOSA-N 367.434 2.008 0 1 FEAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc2c1 586930527 RIPHEHUJEVBORV-UHFFFAOYSA-N 373.434 2.124 0 1 FEAF CNS(=O)(=O)c1ccc(CCc2nc3c(F)cnc(Cl)c3[nH]2)cc1 586947322 WBVYAYOKUXNHIC-UHFFFAOYSA-N 368.821 2.444 0 1 FEAF CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)Cn2cncn2)C1 12209928 JLCRHMCNANXYEF-MRXNPFEDSA-N 368.416 2.433 0 3 FEAF C[C@@]12CC[C@H]3[C@@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]1C[C@@H](C1=CCOC1=O)O2 169639199 QTYVPMSAPQBXMM-PWSXLVATSA-N 350.455 2.203 0 1 FEAF COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(O)ccc5c4CCN3C[C@H]2CC[C@H]1O 2356412274 MIUYYRGOYGWVDO-CYXGIEPOSA-N 370.449 2.353 0 1 FEAF CN1CCC(Nc2nc(-c3cccc4[nH]ncc34)nc3c2cnn3C)CC1 64528365 RRMAFHAVOVQQDO-UHFFFAOYSA-N 362.441 2.413 0 1 FEAF CCc1cnc(SCC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nc1 84632709 SAVHXXXMJJLUJH-UHFFFAOYSA-N 371.871 2.315 0 1 FEAF in-vitro N#Cc1cc(-c2ccnc(Nc3ccn[nH]3)n2)cnc1N1CC[C@H](F)C1 220978591 CAELDERPSRNSPW-ZDUSSCGKSA-N 350.361 2.425 0 1 FEAF Cc1nn(CC(=O)O)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565732 RYYZUTHQZAYXNF-UHFFFAOYSA-N 353.781 2.236 0 1 FEAF CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccn1 95564424 VLZSOFFJGXHIAQ-XUVXKRRUSA-N 366.465 2.349 0 1 FEAF C[C@@H]1O[C@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@H](O)C[C@@H]1O 253918644 XIOVVYUXTAJUCE-AZNCBITPSA-N 364.438 2.285 0 3 FEAF CC(C)CCOc1cc2nc([C@@H](O)[C@@H](O)CO)[nH]c2cc1Br 586893073 UNUKPLSGVOTIKJ-JSGCOSHPSA-N 373.247 2.137 0 1 FEAF O=C1C[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CN1Cc1ccco1 587653645 CNBPVWWBTGNNTL-LBPRGKRZSA-N 371.780 2.332 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587232583 ZULJCDOJEDIITJ-IOASZLSFSA-N 359.430 2.323 0 1 FEAF CN(C)C1CN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)C1 1772640346 QNWMCQVUGUMOLP-HDJSIYSDSA-N 353.474 2.125 0 1 FEAF C[C@@H](O)CNC(=O)c1ccc(NC(=O)N2Cc3ccc(C#N)cc3C2)cc1 166478135 BJENUMJQGMPSHL-CYBMUJFWSA-N 364.405 2.217 0 1 FEAF CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)N1CCCC1)C2 203472452 XUJJRLHZIFDJQJ-FOIQADDNSA-N 360.454 2.239 0 3 FEAF COc1ccc(-c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)ccc1=O 837394 KEIVGOROUOTWOX-QGZVFWFLSA-N 368.389 2.184 0 1 FEAF CNC(=O)[C@@H](c1ccccc1)N1CCC[C@@H]1C(=O)NCc1ccc(F)cc1 2356444875 MSSSPHLNHRQFRF-RTBURBONSA-N 369.440 2.394 0 1 FEAF O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1Cc1ccc(F)cc1 4004099 QDBFRVXKDKRNBP-UHFFFAOYSA-N 351.381 2.287 0 3 FEAF aggregator CC(C)CCNC(=O)CCCc1nnc2n(C)c(=O)c3sccc3n12 6868360 VJKUBGOYPVIVJS-UHFFFAOYSA-N 361.471 2.128 0 1 FEAF CCC(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O 2356287291 GHONXTHBNDXNCL-BQFCYCMXSA-N 362.401 2.458 0 1 FEAF COc1cc([C@H]2OC[C@]3(O)[C@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O 59587629 CICMVLOHBZPXIT-HAEOHBJNSA-N 374.389 2.305 0 1 FEAF biogenic,in-man CC(=O)c1c(C)nn(CC(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)c1C 20878245 MCLZGWUZVCKVMX-CYBMUJFWSA-N 374.466 2.227 0 1 FEAF COC(=O)C[C@H]1OC(=O)c2c1ccc1c(CCN(C)C)cc(OC)c(O)c21 13385638 OOAOKHTXPLSOIK-CQSZACIVSA-N 373.405 2.433 0 1 FEAF biogenic CCc1nc(C(=O)N[C@@H](C(=O)OCC(C)(C)N(C)C)C(C)C)cs1 82070356 OHQKGLIABYQBBQ-CQSZACIVSA-N 355.504 2.343 0 1 FEAF O=c1ncn(Cc2ccsc2Cl)c2nc(N3CCOCC3)sc12 84741124 AJFNMVDOTHBCMX-UHFFFAOYSA-N 368.871 2.453 0 1 FEAF COc1cc2oc(C)cc(=O)c2c(O)c1CC(=O)O/C=C(\C)CC(=O)O 238742434 PJHXBFWHRDYLAH-CMDGGOBGSA-N 362.334 2.280 0 1 FEAF C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@H](OC(=O)/C(=C/CO)CO)C/C(C)=C/CC1 238734532 RYZYAGBFMJKAJG-OOIRPMLFSA-N 364.438 2.063 0 1 FEAF O=C(CCc1nc2ccnc(O)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587024258 RNCYNCMKWMPIML-UHFFFAOYSA-N 367.394 2.148 0 1 FEAF CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2ccc(S(C)(=O)=O)cc12 587650270 IFSDJJRXKZBDNB-UHFFFAOYSA-N 361.423 2.457 0 1 FEAF CCOC(=O)COc1cc2c(cc1[C@H]1NCCc3ccc(O)cc31)OCO2 963350315 AVDMFODLXXBWFZ-FQEVSTJZSA-N 371.389 2.298 0 1 FEAF C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CCC2)CCN1 5929699 QJUDJDZTLHAGPS-LLVKDONJSA-N 359.401 2.362 0 1 FEAF Cc1ccc(-[n+]2noc(O)c2CN2CCN(C)[C@@H](c3ccccc3)C2)cc1 169304514 IAFBWXVXYYFROG-LJQANCHMSA-O 365.457 2.454 0 1 FEAF O[C@](Cc1cn(C2CCCC2)nn1)(Cn1cncn1)c1ccc(F)cc1F 1857617205 WNJPDZARABONTG-GOSISDBHSA-N 374.395 2.393 0 1 FEAF C[C@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3cccnc3)n2N)[C@@H]1C 6901224 JTVXAKBJXWAESZ-OUCADQQQSA-N 360.487 2.087 0 1 FEAF Nc1nc(-c2cncs2)c2ncn(C(=O)NCc3ccccc3)c2n1 29047466 JJZYAKKNEYIADW-UHFFFAOYSA-N 351.395 2.290 0 1 FEAF Cn1c(N2CCN[C@@H](c3ccccc3F)C2)nc(-c2ccncc2)cc1=O 116774446 HLYGYLZFSUPNIX-GOSISDBHSA-N 365.412 2.132 0 1 FEAF O=C(NCCc1c[nH]cn1)c1cc(Br)c(Br)[nH]1 103259982 NCELWINLWDQYKV-UHFFFAOYSA-N 362.025 2.235 0 1 FEAF CCCCOC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 28474745 ZABUXGYXOLKTEF-QSCYMFBOSA-N 370.486 2.279 0 1 FEAF CO[P@@](=O)(CNC(=O)OCc1ccccc1)N1CCC[C@H]1C(=O)O 29407741 VTBOQJCOXGCMGX-RZFZLAGVSA-N 356.315 2.259 0 1 FEAF C[C@H]1CC(C)(C)NC(=S)N1CC(=O)N1CCN(C2CCCCC2)CC1 20107458 TWZDMOYTXIEJHE-HNNXBMFYSA-N 366.575 2.211 0 1 FEAF CO[C@@]12CC[C@@]3(CO1)[C@@H]1CCC[C@H](OC(C)=O)[C@@H]1C[C@@H]1OC(=O)[C@]2(C)[C@H]13 2356587332 HXIZZPINGVXRRQ-OKPJQDMYSA-N 364.438 2.439 0 1 FEAF NS(=O)(=O)Oc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1F 1911584114 KMGCHRZYUHAAJS-UHFFFAOYSA-N 368.430 2.107 0 1 FEAF O=C(NN1CCN(C[C@@H](O)c2c[nH]c3ccccc23)CC1)c1ccccc1 39219494 DIHVTGOIONWZBT-HXUWFJFHSA-N 364.449 2.164 0 1 FEAF CC[C@]12c3c4ccc(O)c3O[C@H]1C(=O)CC[C@@]2(O)[C@H](N(C)CC1CC1)C4 45357602 AFWQBADFAUBXEN-MBPVOVBZSA-N 357.450 2.162 0 1 FEAF O=C1COc2c(cc(O)cc2[C@H](O)CNCCCCc2ccccc2)N1 1911578822 PZNRXUMAERXXLO-GOSISDBHSA-N 356.422 2.369 0 1 FEAF Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]c5)n4)CCC3)nc2)cn1 96175537 OGSUXRZOULCZGM-UHFFFAOYSA-N 360.381 2.364 0 1 FEAF CC(C)[C@@]1(O)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@@H]1O 95591938 WGJYYARKNLFWSA-OHRRTRFSSA-N 352.471 2.343 0 1 FEAF COc1ccc([C@@H](O)[C@H](C)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 587936282 KJBOSESNEZXYLE-QFYYESIMSA-N 361.423 2.056 0 1 FEAF CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)cncc3[nH]2)o1 586931887 OJODFLJDAIOOOU-UHFFFAOYSA-N 371.216 2.231 0 1 FEAF CN(C[C@@H](O)Cn1c2ccc(F)cc2c2c(F)cccc21)S(C)(=O)=O 149351229 PEWAZYNTPJRVQB-GFCCVEGCSA-N 368.405 2.325 0 1 FEAF O=C(NC[C@@H]1CN[C@H](CNC(=O)c2ccccc2Cl)C1)c1ccccc1 1772647362 CTCGDRZZKYDHOA-HOCLYGCPSA-N 371.868 2.478 0 1 FEAF COC(=O)[C@]1(c2cc3ccccc3[nH]2)C[C@H]2CN[C@H]1[C@@H]1OC(C)(C)O[C@H]21 169301007 JHVNRJMXZHAOAP-HZPYRXDASA-N 356.422 2.091 0 1 FEAF C[C@H](C[PH](O)(O)C1=CCCN1C(=O)OCc1ccccc1)C(=O)O 169685919 AARIUGSBSPVDBN-GFCCVEGCSA-N 355.327 2.156 0 1 FEAF CN1CCCN(Cc2ccc(Cc3n[nH]c(=O)c4c3CCCC4)cc2)CC1 167279791 BXTVLWLGMPODHF-UHFFFAOYSA-N 366.509 2.377 0 1 FEAF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 767867 GUTAYNSVZHYNJE-SOLBZPMBSA-N 367.405 2.156 0 1 FEAF CC=C1CO[C@H](O)[C@]2(C(=O)OC)[C@@H]1C[C@H]1NCCc3c1n2c1ccccc31 2356377714 JNERBODVRAQESP-WWEWDKITSA-N 368.433 2.011 0 1 FEAF CCOC(=O)C(=O)N[C@@H]1C(=O)N(C2CCCCC2)[C@@H]1/C=C/c1ccccc1 103236283 YGWPPUKHDPAZSJ-JUWLWVHDSA-N 370.449 2.291 0 1 FEAF C/C=C1\[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O 100197350 BERYBAUEDCRDKM-KJJHSIIWSA-N 350.418 2.313 0 1 FEAF in-vitro O=C(O)CC/C=C\C[C@H]1[C@@H](O)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 28228340 LAGUXMNHSTYDCN-GRRJJPCXSA-N 371.430 2.055 0 1 FEAF CN1CC[C@H]2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)[C@@H]2C1 28527055 WCIYUOOGUNVCHI-WOJBJXKFSA-N 366.509 2.405 0 1 FEAF C[C@H](NC(=O)[C@H]1COC(=O)[C@H](Cc2ccc(F)cc2)N1)c1ccccc1 38147792 XZWIODIVZSHQOA-DOPJRALCSA-N 356.397 2.129 0 1 FEAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCCN2CCSC[C@H]12 40640776 FPMCRWQXDKRLJF-UONOGXRCSA-N 355.891 2.240 0 1 FEAF COC(=O)[C@@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)CN1 84489106 RKVQETBRWSXNLR-LRDDRELGSA-N 364.405 2.318 0 1 FEAF COC1=Cc2c(nc3n(c2=O)-c2ccccc2C(=O)N2CCC[C@@H]32)OC=C1 138368960 VCIODNPNVXXHGP-INIZCTEOSA-N 363.373 2.417 0 1 FEAF Cc1cc(C)cc(-n2ncc(NCCN3CCOCC3)c(Cl)c2=O)c1 261142763 NIHVVAYWHTUYRX-UHFFFAOYSA-N 362.861 2.247 0 1 FEAF CNC(=O)[C@@H]1[C@@H](c2ccccc2)CN2CCN(Cc3cccs3)C[C@H]12 299850575 BMUAEOLVWZKPAI-GUDVDZBRSA-N 355.507 2.394 0 1 FEAF CS(=O)(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 586924381 PLLNIQGICYRSMO-KTKRTIGZSA-N 362.432 2.411 0 1 FEAF CCOC(=O)CSc1nc2sc3c(c2c(=O)n1N)[C@@H](C)CCC3 958059117 FNVVDBAVQLAKPR-QMMMGPOBSA-N 353.469 2.267 0 1 FEAF Cn1cc(-c2cc3nccnc3c(OC[C@H]3CNCC(F)(F)C3)n2)cn1 203767671 WZFYELPFTNDMJW-LLVKDONJSA-N 360.368 2.049 0 1 FEAF O=C1O[C@@H](c2ccc(F)cc2)[C@@H](O)N1c1cccc(OS(=O)(=O)O)c1 1772658100 RPDUZJOAGFMHEV-UONOGXRCSA-N 369.326 2.024 0 1 FEAF CN(C)CCCOc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772609089 KVIXCLGJIXKFNC-UHFFFAOYSA-N 355.442 2.305 0 1 FEAF N=c1[nH]c(C(=O)Nc2cc(-c3cnn([C@H]4CCNC4)c3)ccc2Cl)co1 1857614391 JITORRZFPAICTP-LBPRGKRZSA-N 372.816 2.391 0 1 FEAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1CCC[C@@H](O)[C@@H]1O 27102692 UMBMDDFTYGIXPG-NOVWEMISSA-N 367.453 2.316 0 1 FEAF CC(C)CC(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](C)CN1CCCCC1 25968251 OPGQTAQGNTWVTA-CVEARBPZSA-N 352.475 2.010 0 1 FEAF CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 61903714 IFIVAVPJSVECIU-CYBMUJFWSA-N 364.442 2.091 0 3 FEAF C[C@@H]1C[C@@H]2O[C@H](O)[C@@H]3CCC[C@H]([C@]14C[C@@H](c1ccoc1)OC4=O)[C@@]23CO 2356474668 BHFWXYKMRNUVDQ-CVXVRRLHSA-N 362.422 2.406 0 1 FEAF CC(C)(O)CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)[C@H](O)C2=O 14762697 YUENQIMBXUVCLX-MSOLQXFVSA-N 374.389 2.184 0 1 FEAF biogenic C[C@H](n1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)ncnc21)C(C)(C)C 40943122 KHUUGXGWBNYRAZ-QMMMGPOBSA-N 365.330 2.079 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(C)=O)N(C(=O)NC(C)C)[C@H]2CO)cc1 95894948 FEKQHXBHQYVHEN-VMASUYHGSA-N 373.497 2.445 0 1 FEAF CCc1ccc(Oc2ccc(C(=O)N3CCNC(=O)C3)cc2F)c(O)c1 95579649 WUOZMZMHRFAYPT-UHFFFAOYSA-N 358.369 2.458 0 1 FEAF C=CS(=O)(=O)N1CCN(C(=O)c2cc(C3CCCCC3)no2)C[C@@H]1C 618017550 VIULSSXTZUDWOR-ZDUSSCGKSA-N 367.471 2.342 0 1 FEAF CS(=O)(=O)c1ccc(-c2ccnc(Nc3cccc(C(N)=O)c3)n2)cc1 144380688 WKEPLPIONCNGOW-UHFFFAOYSA-N 368.418 2.390 0 1 FEAF O=C(O)CC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603563 NODHVXAVFDRQEL-KDOFPFPSSA-N 358.302 2.042 0 1 FEAF O=C(O)Cn1cc(I)c(-c2nc3ccccc3[nH]2)n1 587185074 IUFHYEZEPFMWEC-UHFFFAOYSA-N 368.134 2.116 0 1 FEAF C[C@@H](NC(=O)Nc1cc2[nH]nc(S(C)(=O)=O)c2cn1)c1ccccc1 1772597464 NCAQLUKMMRBENQ-SNVBAGLBSA-N 359.411 2.244 0 1 FEAF O=C(Nc1ccc(F)cn1)c1cc(Oc2cncnc2)cn2cnnc12 1772637445 WXWBQMPSKGGEKJ-UHFFFAOYSA-N 351.301 2.098 0 1 FEAF CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(Cl)c2c1=O 13800969 TWUBVXOPIMIVJI-UHFFFAOYSA-N 354.790 2.410 0 1 FEAF CCOC(=O)c1cnc(N(C)N2C(=O)C=C(C)C2=O)nc1-c1cccs1 13818247 QACJNBHSEZITBP-UHFFFAOYSA-N 372.406 2.048 0 1 FEAF NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1 13835311 CQYSRGVNKBZNHR-UHFFFAOYSA-N 366.267 2.282 0 1 FEAF O=C(Nc1ccn(S(=O)(=O)c2ccc(Cl)cn2)c1)c1ccccn1 206056474 ZZADNHJXEHLUIW-UHFFFAOYSA-N 362.798 2.421 0 1 FEAF CCS(=O)(=O)Nc1cccc(-c2cc(NC(C)=O)c3nnc(C)n3c2)c1 1857540090 NGGXEWBATSQGDU-UHFFFAOYSA-N 373.438 2.425 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@@H](O)C3=C(C)C(=O)OC3=C[C@]12O 2356393393 JEYGGYOYAPLJFZ-VUBQOMTPSA-N 362.422 2.163 0 1 FEAF CCn1c(=O)n(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(=O)c2ccccc21 7991335 JIOIPFWJCUUZEU-IIAWOOMASA-N 357.454 2.124 0 3 FEAF Cc1ccccc1-c1nc2ccccc2c(=O)n1C(=O)CC[C@@H](N)C(=O)O 103174562 OWCVLFILAPVRLV-OAHLLOKOSA-N 365.389 2.204 0 1 FEAF COc1cc(NC(=O)c2cccc(NC(=N)N)c2)ccc1/C=C/C(=O)O 29250523 CJZMSMBZRLZOFS-SOFGYWHQSA-N 354.366 2.351 0 1 FEAF COC(=O)[C@H]1C[C@H]2C=C(Br)[C@H]1N(Cc1ccccc1)C2=O 2356723713 RVGKQUBLSAWNDE-OBJOEFQTSA-N 350.212 2.485 0 1 FEAF CCCSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 28647641 VCMQMGQXWTVEJA-UHFFFAOYSA-N 368.875 2.484 0 1 FEAF CC(C)CN1CCC[C@@H]1c1nc(C2=C[C](N3CCOCC3)NC=C2)no1 2356831750 IGPHKMVLSZJFBB-MRXNPFEDSA-N 358.466 2.184 0 1 FEAF O=C(Nc1cccc(Cl)c1)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 61926440 FWGIZOYCJYMYEK-HBNTYKKESA-N 370.818 2.019 0 3 FEAF Nc1ncc(-c2ccc(C3(c4noc(-c5cc[nH]n5)n4)CCC3)cn2)cn1 96175407 MJSBADFJZHURFS-UHFFFAOYSA-N 360.381 2.364 0 1 FEAF Cc1cnn(CC(=O)c2c(CO)oc3cc(Br)cnc23)c1 587274680 YROQEVZMGSLFBC-UHFFFAOYSA-N 350.172 2.470 0 1 FEAF NC(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085521 XRPWWVYPWOTLHF-UHFFFAOYSA-N 356.817 2.489 0 1 FEAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(N)(=O)=O)cn1 587873440 ZMUXNHUZWRAPLQ-UHFFFAOYSA-N 362.386 2.120 0 1 FEAF CCOC(=O)C[C@@]1(c2cncn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431961 SAJMOBZWIMIPJY-BFUOFWGJSA-N 356.378 2.025 0 1 FEAF CC(C)(C)OC(=O)N1C[C@H](c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C(F)(F)C1 587132014 HAOUYWWVNOJGDP-ZCFIWIBFSA-N 374.779 2.340 0 1 FEAF CCS(=O)(=O)c1cccc(Cc2nc3c(C(=O)OC)ccnc3[nH]2)c1 586921893 OQUWFWMAHYQWDT-UHFFFAOYSA-N 359.407 2.129 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587232042 RSFDFGMKXBUQLM-GJZGRUSLSA-N 372.469 2.301 0 1 FEAF C[C@]1(CC[C@H](N)C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335233 KZPUSPWXZRWXAF-RIFZZMRRSA-N 372.396 2.242 0 1 FEAF NC(=O)c1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962955893 AFQNEPJRSLSRML-SWLSCSKDSA-N 366.751 2.405 0 1 FEAF C[C@]1(c2cccc(CC(=O)c3ccc(C(N)=O)cn3)c2)CCSC(N)=N1 169694573 MJOYLXGKUFRBMP-LJQANCHMSA-N 368.462 2.273 0 1 FEAF CC(C)CN1C[C@H](O)CN(C(=O)c2cccc(C(F)(F)F)c2)CC1=O 105846895 LKHXZUHNYONFLR-AWEZNQCLSA-N 358.360 2.007 0 1 FEAF O=C(O)CCCCCCCC=CCC=CCC(=O)N[C@H](CO)C(=O)O 2356619641 NPDOYQQYKLFRBY-OAHLLOKOSA-N 355.431 2.256 0 1 FEAF COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CC[C@H]4c5ccccc5N[C@H]4[C@H]3C[C@@H]21 238735554 BTQSFZZXBMGPAG-DIFBKIQNSA-N 356.466 2.219 0 1 FEAF COc1ccnc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)c1 147826968 DDFUUPRVVKRCPO-UHFFFAOYSA-N 350.378 2.431 0 1 FEAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CN(C(=O)C2CCCC2)C1 95665866 PYVDFQKEMJYAHM-QGZVFWFLSA-N 369.465 2.083 0 1 FEAF O=C1C[C@@]23CCN(CC4CC4)[C@H]4C[C@@H](O)[C@@H]1C[C@]42Cc1ccc(O)cc13 95562542 LOXFETCCXNYJIL-ADZZIANESA-N 353.462 2.401 0 1 FEAF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C 257694459 YOQIGAVHLYFIAF-YEYIHUOBSA-N 364.438 2.243 0 1 FEAF endogenous,in-man C[C@H](Sc1nc(N)cc(O)n1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586962018 NPOMEXMWNSNOCI-BYPYZUCNSA-N 357.321 2.254 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(N)=O)CC2)N1 587771773 XRNSHRAPZPOJHP-VIFPVBQESA-N 356.239 2.492 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1cccc(O[C@@H](C)C(N)=O)c1)[C@@H](C2)C3=O 587433331 QSISAEZDGRABFF-WBUIGNHESA-N 353.374 2.437 0 1 FEAF COCC[C@]1(CC(=O)OC)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962759155 BERCLEZBIDKCAG-XJKSGUPXSA-N 359.344 2.127 0 1 FEAF CN(C)C(=O)C[C@@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962708531 ZJOUPMUSBOBWAS-SWLSCSKDSA-N 362.323 2.137 0 1 FEAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCCO 12496239 XQXUYZDBZCLAQO-CCALTECZSA-N 370.486 2.015 0 1 FEAF endogenous,in-man CCCNC(=O)NCCc1ccc(OC[C@H](O)CNC(C)(C)C)cc1 169335374 AABZNODCCBJWSB-MRXNPFEDSA-N 351.491 2.066 0 1 FEAF O=C(NCC1CC1)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 205209556 XDDGSQSJHXHYHH-UHFFFAOYSA-N 374.828 2.331 0 3 FEAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@H]([C@@H](O)CCCCCC[C@H](O)CC(=O)O)C=CN21 2356363692 LTVJDZIDZGZAIH-KSCVBYKOSA-N 369.502 2.271 0 1 FEAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2c(C)noc2C)cc1 100108653 RZSIRGHHQLUCLA-AJNDZUEZSA-N 373.478 2.453 0 1 FEAF O[C@@](CSC(=S)NC1CC1)(Cn1cncn1)c1ccc(F)cc1F 103264675 QSBKTQYROZOSPP-OAHLLOKOSA-N 370.450 2.214 0 1 FEAF CCSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 28647638 SZQPKAFJFZIIEI-UHFFFAOYSA-N 354.848 2.094 0 1 FEAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)[C@H]5C[C@@]4(C(=O)O5)[C@H]3CC[C@@]21C 2356431982 MUDOTJJLSYDVMT-DHFFHOHFSA-N 360.450 2.002 0 1 FEAF C[C@]1([C@H](O)CO)C=C2CC[C@@H]3[C@](C)(C(=O)O)C[C@H](O)C[C@]3(C)[C@H]2CC1 2356667266 UWBQESXNYLGFQE-JXNMKVQOSA-N 352.471 2.344 0 1 FEAF CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCN 29568071 BBZPDNDUWIDPAR-SFHVURJKSA-N 374.485 2.459 0 1 FEAF O=c1c(-c2ccc(O)cc2)coc2cc(OS(=O)(=O)O)cc(O)c12 31708281 DKEIWIJUHWVGRC-UHFFFAOYSA-N 350.304 2.053 0 1 FEAF Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(CO)c(C)c12 72175889 HTCJRVQQXWRCEG-UHFFFAOYSA-N 351.410 2.474 0 1 FEAF CC[C@H]1C[C@H](/C=C\CC(C(=O)OC)C(=O)OC)O[P@](=O)(OC)O1 198501213 HQPXMHFUGNZFHH-GPIKIMHYSA-N 350.304 2.234 0 1 FEAF NS(=O)(=O)Cc1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 586929903 ICLAUPWYVHKFRE-UHFFFAOYSA-N 356.329 2.432 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(COC14CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587441237 DXVPCJXNYCDZIQ-RBZFPXEDSA-N 373.405 2.201 0 1 FEAF CCOC(=O)[C@]1(c2cnn(C)c2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962633258 KADAFBGHVHIZBR-XCLFUZPHSA-N 373.453 2.120 0 1 FEAF Cc1c(O)ccc2c1[C@@](CO)(c1ccc3[nH]ccc3c1)N[C@H](C(=O)O)C2 963525485 MXMITDXWRYEZQS-OXJNMPFZSA-N 352.390 2.017 0 1 FEAF CCCn1c(=O)c2[nH]c(-c3ccc(C(=O)O)cc3)nc2n(CCC)c1=O 5114735 DNQSBNFCLWHHHQ-UHFFFAOYSA-N 356.382 2.072 0 1 FEAF COc1ccc([C@H](O)Cn2cc[nH]c2=O)cc1OC1Cc2ccccc2C1 13438914 RWRZJJIRVFJYTH-GOSISDBHSA-N 366.417 2.465 0 1 FEAF CC(C)c1csc(COc2ccn3c(=O)c(-c4nn[nH]n4)cnc3c2)n1 13587632 XXCNORNMENTBKD-UHFFFAOYSA-N 369.410 2.034 0 1 FEAF OC(c1ccccc1)(c1ccccc1)c1nnn([C@H]2CN3CCC2CC3)n1 13725084 NBDBUQWMCVSMHQ-IBGZPJMESA-N 361.449 2.224 0 1 FEAF CC=C1CN2[C@H]3C[C@]45c6ccccc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)OC 2356429679 DSIOBDCLSMIECF-RTJWASAASA-N 352.434 2.270 0 1 FEAF C[C@]12C(=CC[C@]34COC(=O)C3=CCC[C@@H]41)C(=O)O[C@@H](c1ccoc1)[C@@H]2O 2356417620 GYLOEZJWLQFGKI-MWTROVGWSA-N 356.374 2.454 0 1 FEAF CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(C[C@H]3CCCO3)c2n1 4239003 GGYVYFJFBLRNAW-CQSZACIVSA-N 369.400 2.238 0 1 FEAF CNc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1 6751854 MYKPHRYNAWAODA-UHFFFAOYSA-N 366.873 2.075 0 1 FEAF Cc1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 101619820 ZYECGCRLWLBAIN-NZBPQXDJSA-N 374.466 2.153 0 3 FEAF aggregator COC(=CC(=O)O)[C@@H]1c2cc3cccc(O)c3c(O)c2C(=O)C[C@@]1(C)O 2356465341 OBCPKCVHPDMGIX-PKOBYXMFSA-N 358.346 2.287 0 1 FEAF O=C(C=Cc1ccccc1)NCC[C@@H](O)CNC(=O)C=Cc1ccccc1 2356678578 LGWKKNKCOSDCAP-HXUWFJFHSA-N 364.445 2.397 0 1 FEAF Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc3c(n2)C[C@H](CN)CO3)n1 224868976 KKZJKNBXDCSEGW-CYBMUJFWSA-N 373.420 2.091 0 1 FEAF COc1ccccc1COC(=O)c1cnn2c1n[n+]([O-])c1ccc(C)cc12 43074534 MBHPBLIYWQTKRH-UHFFFAOYSA-N 364.361 2.190 0 1 FEAF NC(=O)c1sc2nccc(N3CCCN(c4nccs4)CC3)c2c1N 95602104 WURQINFINZUBKS-UHFFFAOYSA-N 374.495 2.151 0 1 FEAF c1cc2c(cc1-c1nnc(SCc3nc4cnncc4[nH]3)o1)OCO2 586968911 DZIJGRVMDSGKIF-UHFFFAOYSA-N 354.351 2.424 0 1 FEAF O=C1COc2cc3[nH]c(CCNC(=O)OCc4ccccc4)nc3cc2N1 587228081 ICXCIUZXCBWALS-UHFFFAOYSA-N 366.377 2.363 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CCO[C@H]2C3)N1 587789560 DVHBQVKCAKKQSH-HNHYXYPQSA-N 355.251 2.422 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CCC(=O)O)c2ccccc21 587399623 LEBJRTIBHADLPY-FQEVSTJZSA-N 366.373 2.259 0 1 FEAF CC(C)c1nn(C)c2c1[C@@]1(CCC[C@H](c3cnc(O)nc3O)C1)NCC2 962913238 BWRKSUAQKPFLLR-BUXKBTBVSA-N 357.458 2.444 0 1 FEAF O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccccc1)C2 13491484 ZIMJSFGMHLCHIV-UHFFFAOYSA-N 374.418 2.070 0 1 FEAF CC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1CCN(C)C 1654690 KUTCXHDLZMOLIT-UHFFFAOYSA-N 363.483 2.458 0 1 FEAF CCOC(=O)[C@H](CC)Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1 104106081 LFXIMMYSUDFTSF-ZDUSSCGKSA-N 358.423 2.494 0 3 FEAF NC(=O)c1cc(-c2c[nH]c3ncccc23)cc(N[C@H]2CC[C@H](O)CC2)n1 101659279 UAAKAFFQYXZYAW-BETUJISGSA-N 351.410 2.439 0 1 FEAF COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(C3CC3)C2=O)cc1 103243730 QEECLDLWKAKOTC-UHFFFAOYSA-N 351.406 2.476 0 1 FEAF C[C@@H]1CN(C2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CCN1 64235675 GNYNUVPBDFJHOO-SECBINFHSA-N 373.762 2.323 0 1 FEAF CC(C)[C@H](CO)NC(=O)c1cn(Cc2ccncc2)c(=O)c2ccccc12 2356761857 IJQIUEFATYEBLH-IBGZPJMESA-N 365.433 2.192 0 1 FEAF CO[C@@H]1OC[C@]2(CCC(=CCO)CO)[C@@H]3CCC=C(C)[C@@]31[C@@H](O)C[C@H]2C 2356847649 OYOCQFXSNOJORV-BHBQBRIKSA-N 366.498 2.410 0 1 FEAF CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1Nc1ccc2c(c1)OCO2 72110441 BSRSIUKJQSEGFR-MLPAPPSSSA-N 365.345 2.425 0 1 FEAF COc1cc(C(=O)N[C@H]2CCCCN(C(C)C)C2=O)cc(OC)c1OC 199718574 JLJHCVMWXWDZCL-AWEZNQCLSA-N 364.442 2.232 0 3 FEAF CS(=O)(=O)c1ccc(-c2cc(C(N)=O)nc(NC3CCCCC3)n2)cc1 43060103 BCMZXSHMAQFFQK-UHFFFAOYSA-N 374.466 2.391 0 1 FEAF Cc1nc(C(=O)OC2CC2)c(N)c2c1C(=O)N(Cc1ccccc1)C2=O 653755993 SJSBEXQHQFGEML-UHFFFAOYSA-N 351.362 2.088 0 1 FEAF COc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)n1 587742520 AJECNKOJFPMQGK-FUXBKTLASA-N 367.222 2.593 0 1 FEAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(Cl)ncnc3[nH]2)cc1 586940665 BSUHXELQZFWKJL-SREVYHEPSA-N 363.830 2.405 0 1 FEAF CC1(C)Cc2ncnc(N)c2[C@@]2(C1)N[C@H](C(=O)O)Cc1cccc(F)c12 962892950 HSUDDPIGODUZGH-BUXKBTBVSA-N 356.401 2.013 0 1 FEAF CC(=O)N1CCN(C[C@@H](NCc2ccccn2)c2ccc(F)cc2)CC1 116238805 KNZIVPSOLPQKKD-HXUWFJFHSA-N 356.445 2.216 0 1 FEAF O=S(=O)(NCCCC(F)(F)F)c1ccc2c(c1)CN[C@@H](CF)C2 13581904 QRUNIUWKRWSMKL-GFCCVEGCSA-N 354.369 2.291 0 1 FEAF COc1ccccc1N1CCN(CCNC(=O)Cc2ccsc2)CC1 13740987 NKLHSWFTTXYYRH-UHFFFAOYSA-N 359.495 2.238 0 1 FEAF Cc1ccc(NC(=O)c2[nH]cnc2C(=O)NCC(=O)OC(C)(C)C)cc1 15952260 VYIBAPBKYYWBCD-UHFFFAOYSA-N 358.398 2.042 0 3 FEAF CC(=O)CN1CCC2(CC1)c1ccccc1[C@@H](N1CCSCC1)[C@@H]2O 19789766 HVMPNRXZSGBFNO-MOPGFXCFSA-N 360.523 2.074 0 1 FEAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCOCCO 2483901 RVSXHYNOFCBBHE-UHFFFAOYSA-N 362.426 2.386 0 1 FEAF CCOC(=O)c1cnc(NN2C(=O)C=C(C)C2=O)nc1-c1ccc(C)s1 13818159 BWEQFSUYJKESNJ-UHFFFAOYSA-N 372.406 2.332 0 1 FEAF COc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2OC(C)=O)ccc1O 14643603 GOPRNCJZASYCJQ-MSOLQXFVSA-N 360.318 2.060 0 1 FEAF biogenic COc1cc(C)cc(OC)c1OC(=O)[C@H](CCSC)N1CCOCC1 40465128 ZDHZCXZJOZFUTB-AWEZNQCLSA-N 369.483 2.372 0 1 FEAF O=C1C[C@H]2O[C@H]([C@H](OC(=O)c3ccccc3)c3ccccc3)[C@H](O)[C@H]2O1 53276466 QAJCHVCZGQLPSV-DBDQLMEASA-N 354.358 2.029 0 1 FEAF CCc1nc(C(=O)N2CCC[C@H]2C(=O)OCC(C)(C)N(C)C)cs1 82073518 LABSJKUXMTVWNU-ZDUSSCGKSA-N 353.488 2.194 0 1 FEAF Cc1ccc(C)c(NC(=O)C(=O)Nn2c(S)nc3ccccc3c2=O)c1 102977652 BRBZRVKHWFYOQC-UHFFFAOYSA-N 368.418 2.011 0 1 FEAF NC(=O)C[C@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C1CC1 146569900 QAKJXHZPHGQCBD-LBPRGKRZSA-N 371.359 2.284 0 1 FEAF Cc1cncc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 586947312 VZHOAPNCLPHPJP-AWEZNQCLSA-N 372.450 2.391 0 1 FEAF Cc1ccc(-c2nnc(SCc3nc4c[nH]c(=N)[nH]c-4n3)n2C)cc1 586964979 CKPOPAQWRDYRBY-UHFFFAOYSA-N 352.427 2.113 0 1 FEAF COc1cc(-c2nc3ccnc(O)c3[nH]2)ccc1OCC(=O)NC(C)C 587227133 ZQDNNJSYFBVAKW-UHFFFAOYSA-N 356.382 2.243 0 1 FEAF COc1cc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)ccc1C(=O)O 962936696 PSASLNMYBKFBQW-GOSISDBHSA-N 354.406 2.330 0 1 FEAF Cc1c(C(=O)N2CC3(CCCC3)C2)cnn1-c1nc(O)c2c(n1)CCC2 1857613506 HHOXTCQXKBCFGP-UHFFFAOYSA-N 353.426 2.181 0 1 FEAF CCC(=O)C[C@]1(O)C(=O)c2c(O)cc(C)c3c(OC)cc(O)c(c23)C1=O 1857644744 WWHQLNVGPRHCTN-IBGZPJMESA-N 358.346 2.047 0 1 FEAF Cc1cccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2ccccc2)c1 61903078 ACHYRSSSMZMYFI-LJQANCHMSA-N 372.446 2.105 0 3 FEAF COC(=O)[C@@H](C[C@H](OC)c1c(OC)cc(O)c2c(=O)cc(C)oc12)OC 2356577357 BKVHVYLMRZGKDR-UONOGXRCSA-N 366.366 2.081 0 1 FEAF Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1 38214901 HLSYGDSWXJGENX-UHFFFAOYSA-N 366.345 2.487 0 1 FEAF in-vivo O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3cccs3)CO[C@H]12 4222794 KUJSCNAHRTXGHE-SJXGUFTOSA-N 374.418 2.261 0 1 FEAF biogenic O=C([C@@H]1C[C@@H](Oc2ccc(F)cc2)CN1)N1CCCN(C2CCC2)CC1 72181489 RKXDBMQRODRNSK-MOPGFXCFSA-N 361.461 2.022 0 1 FEAF CC(C)c1ccc(S(=O)(=O)n2nnnc2-c2ccc3c(c2)OCO3)cc1 73220218 WMCKIZLHVIWJQC-UHFFFAOYSA-N 372.406 2.429 0 1 FEAF CCCc1cnc(SCC(=O)c2ccc(S(N)(=O)=O)cc2)nc1 84632726 FNXYUPQYAIGNRB-UHFFFAOYSA-N 351.453 2.052 0 1 FEAF O[C@@H]1CO[C@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@@H]1O 49018104 RKZHZMMVJLXJCY-BBBLOLIVSA-N 368.014 2.356 0 1 FEAF CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)NCCN1CCCC1 25427784 YMPQJVLWFWDGQC-MSOLQXFVSA-N 372.513 2.172 0 1 FEAF biogenic Oc1nnc(SCc2ccc(I)cc2)nc1O 653729232 LRXWIRPLXWGTCT-UHFFFAOYSA-N 361.164 2.180 0 1 FEAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(C(N)=O)cnn3c1)CC2=O 587487944 ZGNHAXHSXWGZSH-MRXNPFEDSA-N 366.377 2.193 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CN2CCN(C)CC2)N1 587767511 REKCBPGNDFJHRP-BXUZGUMPSA-N 356.283 2.411 0 1 FEAF N[C@H](Cc1cscn1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587028974 COLONTRRCIFDLA-GFCCVEGCSA-N 367.438 2.321 0 1 FEAF COC(=O)CNC1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1 14881983 RJQDYTNCMXFCNM-UHFFFAOYSA-N 359.470 2.090 0 1 FEAF C[C@@H](O)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1 29551951 HTRSFGIHCRMLEE-MRXNPFEDSA-N 354.454 2.286 0 1 FEAF CC[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(c23)[C@@H]1CC(=O)O 29321006 VAKWFAARKWMFQB-WRWORJQWSA-N 367.199 2.050 0 1 FEAF COc1cc([C@@H]2Oc3c(ccc4ccc(=O)oc34)O[C@@H]2CO)ccc1O 2356572457 BROWXLHOQNBXKJ-WBVHZDCISA-N 356.330 2.381 0 1 FEAF COC(=O)c1ccc2c(c1)nc1n2[C@H](CNCc2ccncc2)COC1 2356583264 PCNBCXUZSGUXLV-OAHLLOKOSA-N 352.394 2.079 0 1 FEAF CCCCN(C)C(=O)CN1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 64526732 BZDAHZXQWQGRMM-QGZVFWFLSA-N 357.454 2.286 0 3 FEAF CC1=C([C@H](O)C[C@]23COC(=O)[C@@H]2CC=CC3=O)C(=O)O[C@@H](c2ccoc2)C1 14689991 DBJFQJCDRWIAAN-DSEONOSFSA-N 372.373 2.024 0 1 FEAF biogenic CSc1n/c(=N\C(=O)Cc2ccccc2)n2nc(-c3ccco3)[nH]c2n1 49112731 OCMKXBYNWNGRGY-UHFFFAOYSA-N 366.406 2.104 0 1 FEAF CCCc1c(C(=O)NC[C@H](N)C(=O)O)[nH]c2cccc(Br)c12 43061576 DQDMIAPFCSIMAY-JTQLQIEISA-N 368.231 2.025 0 1 FEAF COc1cc([C@@H]2OC[C@]3(O)[C@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O 85911045 CICMVLOHBZPXIT-JZOCTASASA-N 374.389 2.305 0 1 FEAF in-man COCCCNC(=O)c1cnc(NCCOC)nc1-c1ccccc1F 82217024 KWIGPCMNBJTOMJ-UHFFFAOYSA-N 362.405 2.107 0 1 FEAF O=C(O)C[C@H](NC(=O)c1cc(=O)n(-c2ccccc2F)[nH]1)c1ccccc1 95554550 WCOPBGMZNVJCMU-AWEZNQCLSA-N 369.352 2.251 0 1 FEAF CN[C@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@H]3CC[C@]12C)[C@@H]45 238751258 ZFYJZNYQGKBHJQ-BQHPFADISA-N 361.482 2.038 0 1 FEAF CC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1CC(=O)NCCN(C)C 25429352 OZPANGUUEYKGPA-NVXWUHKLSA-N 363.477 2.382 0 1 FEAF biogenic O=C(O[C@H]1CCN2C[C@H]3C[C@H](C(=O)N4C=CCC[C@H]34)[C@@H]2C1)c1ccc[nH]1 238759803 MYPCMXFVOYUANL-WBOSRHFRSA-N 355.438 2.159 0 1 FEAF O=C(O)[C@H]1C(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@H]1C(=O)O 587971005 QIQUJBAAZKHUIB-YUMQZZPRSA-N 365.214 2.111 0 1 FEAF NS(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccc4ncsc4c32)cc1 13470481 LTYGAJVXAFJKSY-XFFZJAGNSA-N 372.431 2.349 0 1 FEAF C[C@@H]1Cc2ccccc2N1C(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 169293965 FCWGUNZWNNQXGH-YYUMVQMSSA-N 350.418 2.161 0 1 FEAF COCCCNc1cc(-n2nc(C)c3c2CCCC3=O)ccc1C(N)=O 1857750607 IOOREHZXALYUPN-UHFFFAOYSA-N 356.426 2.247 0 1 FEAF CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2CCCCCC2)C1=O 2943588 TXSVJAAYYMBAPG-GOSISDBHSA-N 373.497 2.491 0 3 FEAF COc1ccc(CN2C[C@@H]3CN(Cc4ccncc4F)CCN3C2=O)cc1 2356299387 BKJWPHZAPZWSAU-KRWDZBQOSA-N 370.428 2.351 0 1 FEAF CC1CCN(c2nnc(-n3cccc3CN3CCN(C)CC3)s2)CC1 20576384 DHEHVJGHDBIDHL-UHFFFAOYSA-N 360.531 2.313 0 1 FEAF COc1cc(CN2CCN(CCC(C)C)[C@H](CCO)C2)cc(OC)c1O 104332113 AFKUUCOAHANQPY-QGZVFWFLSA-N 366.502 2.324 0 1 FEAF CS[C@]12Cc3ccccc3N1C(=O)[C@]1(Cc3ccccc3O1)NC2=O 2356796193 MYLGWXSGDVSMSI-MOPGFXCFSA-N 352.415 2.096 0 1 FEAF O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc3[nH]ccc3c2)cc1 72107097 PSYGJYRCHYVQFJ-UHFFFAOYSA-N 357.391 2.465 0 1 FEAF CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CC)c3c2F)CC1 39283124 UVIPVURSKTWVJH-UHFFFAOYSA-N 365.380 2.140 0 1 FEAF COC(=O)[C@@H]1OC(=O)C=C(Cl)c2oc3cc(C)cc(O)c3c(=O)c21 14924293 XEADRORPHLTLNQ-OAHLLOKOSA-N 350.710 2.158 0 1 FEAF biogenic COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@@H]43 95884473 ZTHVHELPCLGXHF-VJTCVWHNSA-N 364.445 2.101 0 1 FEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)c1 586937324 YLROJYREXIORDB-UHFFFAOYSA-N 366.374 2.082 0 1 FEAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(O)nc(N)nc3[nH]2)c1 587241451 CPWQYYMRMKKSCH-UHFFFAOYSA-N 358.358 2.360 0 1 FEAF COc1cncc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c12 586942003 ZGCZOCQTPUALAH-FPLPWBNLSA-N 358.423 2.365 0 1 FEAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CC(C)(O)C3)c2cn1)c1ccccc1 1772602851 JGECERJZUHUBIP-GFCCVEGCSA-N 366.425 2.412 0 1 FEAF CN1CCc2cc3c(cc2[C@H]1Cc1ccc2c(c1CO)OCO2)OCO3 14930663 RQZIWZMFWOGBQK-MRXNPFEDSA-N 355.390 2.408 0 1 FEAF biogenic O=C1c2ccccc2C2=NC(=S)N[C@@H](c3cccc(OCCO)c3)[C@@H]12 169726085 NWXXFXZHQVXMSE-CVEARBPZSA-N 352.415 2.289 0 1 FEAF C[C@H](C(=O)N1CCC2(CC1)OCCO2)[C@@H]1Sc2ccccc2NC1=O 3047409 MHHWFDVCHHZDPU-WFASDCNBSA-N 362.451 2.101 0 3 FEAF Cc1cc(S(=O)(=O)Nc2c(C)nc3sccn3c2=O)ccc1F 6784693 SPXPFESXDMLLKR-UHFFFAOYSA-N 353.400 2.313 0 1 FEAF COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2[C@@H]1O 26387671 BNRLKFFGYHKKQM-AUUYWEPGSA-N 359.422 2.414 0 1 FEAF CC1=C[C@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356817038 DGXZBDJOHCMGBK-BBWFWOEESA-N 356.532 2.403 0 1 FEAF C[C@H]1N[C@@H](C)N(CCN2C(=S)S[C@H](C)N[C@H]2C)C(=S)S1 39959910 JZFICWYCTCCINF-KYXWUPHJSA-N 350.604 2.217 0 1 FEAF in-vitro COCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12 136436571 JFPWLZIMLNSFNL-UHFFFAOYSA-N 353.361 2.025 0 1 FEAF COc1cc(C[C@H]2COC[C@@]2(O)Cc2ccc(O)c(OC)c2)ccc1O 238786294 ZYPCXCQCIVYBNM-YWZLYKJASA-N 360.406 2.278 0 1 FEAF COc1ccc2c(c1)CN1CN(Cc3ccc(F)cc3)S(=O)(=O)C[C@@H]21 96020155 HDYPTMZOPPHOJX-SFHVURJKSA-N 362.426 2.494 0 3 FEAF O=C1C[C@@H](c2ccccc2)C(=O)N1CN1CCN(C2CCCCC2)CC1 96938061 OEGVZPJAFNZBAK-IBGZPJMESA-N 355.482 2.437 0 1 FEAF CC1(C)[C@H]2CC[C@@]13C(=O)[C@H]1O[C@@]3(C2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 254209955 ZUGTUFHISUSUOV-GZZZSPLWSA-N 351.402 2.339 0 1 FEAF C=CC(=O)Nc1c[nH]ccc1=Nc1nc(NC2CCOCC2)ncc1Cl 474607087 JEQVYDMONHXBKT-UHFFFAOYSA-N 374.832 2.406 0 1 FEAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cccc(C(N)=O)c3[nH]2)c1 586930950 QIIBPWXTEHHIAN-UHFFFAOYSA-N 372.450 2.359 0 1 FEAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1 587786884 SENQEOLNAHDMAV-OLZOCXBDSA-N 371.418 2.154 0 1 FEAF COC(=O)c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1OC 586924756 VGVLIQBQTSTBED-UHFFFAOYSA-N 352.412 2.216 0 1 FEAF CCOC(=O)CCOCCCOCCc1nc2ccc(OC)cc2[nH]1 587570411 WQUXOYIEULZBHD-UHFFFAOYSA-N 350.415 2.491 0 1 FEAF COC(=O)[C@@H]1COC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355632 FJSNONVWEBJSIT-RIFZZMRRSA-N 372.348 2.448 0 1 FEAF O=C(Nc1nc(Cc2nc3c(O)ncnc3[nH]2)cs1)c1cccs1 587019264 KPQIWNOLXPWLOD-UHFFFAOYSA-N 358.408 2.420 0 1 FEAF COc1cc(OC)cc(-c2cc(NC(=O)C(=O)O)c(C(=O)O)s2)c1 13491466 MFTGULQHVOTTAW-UHFFFAOYSA-N 351.336 2.154 0 1 FEAF CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCF)cc(OC)c1OC 13821891 NCDPKFAUDDDXBP-ZDUSSCGKSA-N 354.422 2.136 0 1 FEAF CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758471 MDXJQYZJGAXSQA-DZGCQCFKSA-N 361.442 2.208 0 1 FEAF CCOC(=O)Cc1nc2nc(N3C[C@@H](CC)CC[C@@H]3C)ccc2[nH]c1=O 766648 RIQJFFQIEJMHJK-STQMWFEESA-N 358.442 2.439 0 1 FEAF COc1cccc(-n2nnnc2SCC(=O)Nc2cccc(C)n2)c1 932392 URKWONDXFZVDCP-UHFFFAOYSA-N 356.411 2.105 0 3 FEAF Cc1ccccc1CS(=O)(=O)CCC(=O)NCCN1CCCCCC1 3006229 QRFGVKUXMHGCFO-UHFFFAOYSA-N 366.527 2.292 0 1 FEAF CN(C)C1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 3796397 KRMVDUVKZGVFBU-UHFFFAOYSA-N 363.364 2.063 0 1 FEAF Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N(C)Cc1ccco1 7001397 CRCUDJXCPGTMKS-UHFFFAOYSA-N 356.382 2.233 0 1 FEAF CC(=O)Nc1nc(O)c(I)c(-c2ccccc2)n1 29316141 IYCPOCSJWVDCSR-UHFFFAOYSA-N 355.135 2.412 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 100829350 YOQIGAVHLYFIAF-DZKZXPSKSA-N 364.438 2.243 0 1 FEAF endogenous,in-man CC(=O)OC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NC1CCCCC1 653796580 GYBKHIZOHMUQDP-HHNLSAEISA-N 358.438 2.197 0 1 FEAF O=C(O)c1cc(Br)cc2nc([C@@H](O)C3CCOCC3)[nH]c12 586914229 XQNYALKBFOKXBP-LBPRGKRZSA-N 355.188 2.484 0 1 FEAF C[C@@H]1CN(C[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)C[C@@H](C)O1 587654673 MZRXKEZPBQXWQZ-JHJVBQTASA-N 363.845 2.435 0 1 FEAF COCCc1cc2c(O)nc(O)nc2nc1[C@H](C)NC(=O)OC(C)(C)C 587555131 OCPKXRYUXGJOHQ-VIFPVBQESA-N 364.402 2.211 0 1 FEAF C[C@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)C=C(c2ccccc2F)NO1 587156110 MGJCRXMZDHHMHZ-QGZVFWFLSA-N 374.397 2.141 0 1 FEAF CCOC(=O)C[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397766 AZCYLVJNBBQBEL-DJJJIMSYSA-N 363.410 2.434 0 1 FEAF O=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2cccnc2)CC1 205942747 WJOFBCYZALIRKI-UHFFFAOYSA-N 350.422 2.400 0 1 FEAF CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@@H]1c1ccc(C)cc1 1857546830 QKLBYWJMKXBNLZ-GOSISDBHSA-N 373.434 2.275 0 1 FEAF COc1cc(O)c2c(c1)C=CC[C@H](O)[C@H](O)C=C(F)[C@@H](C)[C@H](C)NC2=O 253778679 JRHABWKYLHCXIO-KUDNYVPYSA-N 365.401 2.147 0 1 FEAF CC1CCN(C(=O)C[C@@H]2[C@H](O)CC[C@@H]3[C@](C)(CO)[C@@H](O)CC[C@@]23C)CC1 2356319682 XNXJJKLFGSSXSU-UMZDPGFTSA-N 367.530 2.182 0 1 FEAF CC[C@H](C)C=C(C)C=Cc1cc2c(cn1)C(=O)[C@](C)(O)[C@@]2(O)C(=O)OC 2356348989 OCPNGNBXODBFSW-OUWQEXSBSA-N 359.422 2.395 0 1 FEAF CCOC(=O)[C@H](OC(=O)c1ccc(OC)cc1)N1CC(CC)(CC)C1=O 28468078 AVLKDBFDFSCSGF-HNNXBMFYSA-N 363.410 2.390 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 2356562238 QVVXWHIDRKRPMO-LVEJAMMSSA-N 370.486 2.446 0 1 FEAF COc1ccc2nc(C)cc(-n3cc(CNCCCN(C)C)nn3)c2c1 64532257 LAJHXCOJAZIHSM-UHFFFAOYSA-N 354.458 2.174 0 1 FEAF Cc1c(N2C[C@]3(N)C[C@]3(C)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12 1911574811 SDYQTVOIVFQETR-WOJBJXKFSA-N 356.445 2.170 0 1 FEAF Cc1nc2ccccc2c(=O)n1CCCNC(=O)C1=CC(C)(C)NC1(C)C 34305965 ONEMVPYDMHFNPY-UHFFFAOYSA-N 368.481 2.298 0 1 FEAF Nc1ncc(I)c(-c2c[nH]c3cccc(N)c23)n1 72108064 CMFHDFQKVONYPT-UHFFFAOYSA-N 351.151 2.394 0 1 FEAF COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc3c(c2)OCO3)ccc1O 138934573 DHCLUBMQECJTCD-HOTGVXAUSA-N 360.406 2.132 0 1 FEAF CCc1coc(-c2cc3c([nH]c(=O)n3Cc3ccc(C)nc3)c(N)n2)n1 84596553 RTJJNXMJLYRBAG-UHFFFAOYSA-N 350.382 2.276 0 1 FEAF CCCC[P@]1(=O)O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O 148799956 BASPGTBXGXQYJJ-IVQRJPJRSA-N 364.375 2.453 0 1 FEAF CCNc1c(C(N)=O)nnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12 95589471 JVNPFRPEBOYSIN-UHFFFAOYSA-N 370.434 2.231 0 1 FEAF Cc1ccc(C(=O)N2CC[C@H]3NC(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1 25423433 IDUYLZPSEWCVAY-IAGOWNOFSA-N 367.380 2.474 0 1 FEAF biogenic C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C)c1cccs1 618014027 KQHHKTZYHOXLAB-XREXNNHRSA-N 358.467 2.133 0 1 FEAF O=C1COc2cc(Br)ccc2N1CCc1nc2cncnc2[nH]1 587003431 VCCNMXLDKLWECB-UHFFFAOYSA-N 374.198 2.084 0 1 FEAF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Cl)nc3[nH]2)cc1 586931590 GGMWERFCVAXPDR-UHFFFAOYSA-N 366.830 2.441 0 1 FEAF C[C@@H](Sc1ncccn1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586962729 ABGNOZQWOYZHKW-SNVBAGLBSA-N 363.468 2.457 0 1 FEAF C/C(N)=C1/C(=O)OC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587744552 CHPOKIGZUVHEDT-CYPIAQRDSA-N 355.207 2.107 0 1 FEAF COC(=O)[C@H]1C(=O)N(CCc2c[nH]c3ccccc23)C[C@@H]2CCC(=O)C[C@@H]21 5810115 GYSBOPKNHJWPFD-UCLAIMLFSA-N 368.433 2.327 0 1 FEAF CC(C)CCNC(=O)[C@@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 13447211 QKUFXJXFDOPKCE-CQSZACIVSA-N 354.834 2.466 0 1 FEAF COc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cn1 13676097 LALUZJQFRGXURK-UHFFFAOYSA-N 353.407 2.465 0 1 FEAF CC[C@@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169302274 CSSBPZDYBJWQFO-IHSNIMORSA-N 368.389 2.052 0 1 FEAF CCCC(=O)[C@@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 169373238 STRMKLVHDMFVTN-GKFXAPQWSA-N 355.434 2.226 0 1 FEAF CC(C)[C@@H]1NC(=O)[C@H]2C[C@@]3(c4ccccc4)c4ccccc4N[C@H]3N2C1=O 201482043 CLNLJZIJUHOSJK-JZZBYWGLSA-N 361.445 2.480 0 3 FEAF COC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1 4732674 MXLWBOPAJUJKTR-UHFFFAOYSA-N 364.404 2.177 0 1 FEAF COC(=O)N[C@H](c1ccccc1)[C@@]1(C(=O)OC)C(=O)Cc2ccccc21 8689926 OTDVNARADACAMG-XLIONFOSSA-N 353.374 2.320 0 1 FEAF CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)NCc1ccc(C(=O)O)cc1)C(=O)C2 101509442 UGCVKHLTCDLYDY-KDOFPFPSSA-N 365.451 2.200 0 1 FEAF COc1ccc(-c2nc3c(c(=O)[nH]2)[C@@H]2CCN(C(C)=O)C[C@H]2S3)cc1 28524432 QESYRUAZGKRFRG-ZIAGYGMSSA-N 357.435 2.256 0 1 FEAF CNC(=N)N1CC[C@@H]2CC[C@@H]3[C@H](O)C(C(=O)O)=C4C[C@H]5CC[C@@H](C)[C@]43[C@]25C1 2356862065 UWPFQXOVNGPAEQ-SNFVQHBOSA-N 373.497 2.051 0 1 FEAF Cc1cccc(-c2nc(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)co2)c1 72102987 NNWYGJFOMJZJQF-SFHVURJKSA-N 355.438 2.473 0 1 FEAF C/C=C1\CN2CC[C@]34c5ccccc5N(C)[C@]35OC[C@]4(C(=O)OC)[C@@H]1C[C@H]25 195466023 HAGBWVNSVWLTKY-PDJXKRCDSA-N 366.461 2.314 0 1 FEAF COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2 96914130 GENVWLSAPICTPF-OAHLLOKOSA-N 356.422 2.472 0 1 FEAF NC(=O)c1coc([C@@H]2[C@H](Cc3ccccc3CCC(=O)O)[C@H]3CC[C@H]2O3)n1 253669412 FOBQHMSFYXBCHJ-GFOCRRMGSA-N 370.405 2.294 0 1 FEAF Cc1cc(Cl)ccc1-n1ncc(C(=O)NC[C@@H]2COC(C)(C)O2)c1N 299850620 CGFAGEZHEVWRJI-GFCCVEGCSA-N 364.833 2.298 0 1 FEAF CC1(C)Oc2c(O)cc([C@@H]3CC(=O)c4ccc(O)cc4O3)cc2[C@H](O)[C@H]1O 40863309 CKBIVADBUPGTKI-VDZJLULYSA-N 372.373 2.370 0 1 FEAF biogenic Cc1ccc(-c2nnc(SCc3nc4cnnc(O)c4[nH]3)n2C)cc1 586965611 MQHAASUXSFXKTL-UHFFFAOYSA-N 353.411 2.455 0 1 FEAF Nc1ncccc1Cc1nc2cc(I)cnc2[nH]1 587253997 OLLRXDJPEJKKDQ-UHFFFAOYSA-N 351.151 2.131 0 1 FEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1C[C@H](O)C1 1772642964 RRSYIVJLGUPYPY-HAQNSBGRSA-N 363.421 2.154 0 1 FEAF C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Cc1nc2ccccc2[nH]1 1857773041 PNUIXELAIRQRIN-LLVKDONJSA-N 361.398 2.181 0 1 FEAF NC(=O)c1ccc([C@@H](c2ccc3cccnc3c2O)N2CCOCC2)cc1 115633265 RQMUSVUSNVXXEL-IBGZPJMESA-N 363.417 2.461 0 1 FEAF Nc1nc2c(nc(Br)n2[C@H]2CCCc3ccccc32)c(=O)[nH]1 602932 OMOSNQLPEPIWFS-JTQLQIEISA-N 360.215 2.390 0 1 FEAF Cc1cc(C(=O)NN2CCOCC2)nc2c1c(C)nn2-c1ccccc1 4936273 JKWPUVLBYGHVOX-UHFFFAOYSA-N 351.410 2.014 0 1 FEAF CC[C@H]1/C(=C/c2ccccc2)[n+]2cccc(OCC(=O)O)c2[C-]1CC(N)=O 53651127 HDGXQJQHWWUPNC-QJISPJEISA-N 366.417 2.273 0 1 FEAF O=C(O)c1ccc2c(c1)n(C[C@H]1CCNC1)c(=O)n2Cc1ccc(F)cc1 65381822 XLQTYCWWGMTFKP-AWEZNQCLSA-N 369.396 2.298 0 1 FEAF Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cn[nH]c4)ccc3ncc21 118539837 BYCVGFYVNZPDJW-BETUJISGSA-N 364.409 2.149 0 1 FEAF COc1cccc(-c2ccc(S(=O)(=O)NC3(C)CN(C#N)C3)cc2)c1 1911581894 MYALAVYPLKZVIG-UHFFFAOYSA-N 357.435 2.196 0 1 FEAF CN(C)C(=O)c1cccc(Nc2c(NC3CCCCC3)c(=O)c2=O)c1O 135704437 BPHCYUGAUVVSQI-UHFFFAOYSA-N 357.410 2.178 0 1 FEAF CNCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O 49035647 GESKFXJTJLLILS-UHFFFAOYSA-N 353.394 2.383 0 1 FEAF COc1cc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C(C)C)n2)cnc1N 148075265 UJYFHUMYVUPECL-QWHZDKJVSA-N 369.469 2.161 0 1 FEAF COc1cncc([C@@H](NC(=O)CCc2c(C)noc2C)C2CC(O)C2)c1 230544111 FEOIKPYYJRZZNQ-XBMPDCEQSA-N 359.426 2.256 0 1 FEAF COc1ccc(CSc2ccc(S(N)(=O)=O)c3nonc23)cc1 96910441 PEBXYNFMHRBUTC-UHFFFAOYSA-N 351.409 2.171 0 1 FEAF CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 95894516 JXCIZYZKUTYCFB-QYZOEREBSA-N 371.481 2.470 0 1 FEAF O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586889649 MJDFAQLPNFRHMC-ZIAGYGMSSA-N 355.375 2.319 0 1 FEAF CCOC(=O)/C(=C/N(C)C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C 587650993 YJPOBGLAUKLKFO-GXDHUFHOSA-N 350.440 2.345 0 1 FEAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccnc(O)c2[nH]1 587204264 WYCADLRFJJLXGK-GFCCVEGCSA-N 356.338 2.106 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(N)=O)CC2)N1 587768242 MAJGQOYXTYHPJZ-SECBINFHSA-N 356.239 2.492 0 1 FEAF CC(=O)Nc1ccc([C@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1O 962929283 IMNJBGJIXOMDEA-NRFANRHFSA-N 367.449 2.462 0 1 FEAF CC1(C)O[C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 11847470 PVMUOTUDLIZEAN-BWJWTDLKSA-N 364.394 2.240 0 1 FEAF COc1ccc(N[C@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)cc1 12313794 NYQFBCMHMCFNNH-INIZCTEOSA-N 358.442 2.144 0 3 FEAF C[C@H]1O[C@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@@H](O)C[C@@H]1O 169363428 XIOVVYUXTAJUCE-KOULVBMESA-N 364.438 2.285 0 1 FEAF Cn1c(-c2ncc(Cc3c[nH]c(N)[n+]3C)o2)cc(Br)c1Cl 205206238 RQEHXPZLOPNQLY-UHFFFAOYSA-O 371.646 2.422 0 3 FEAF O=C(c1ccc2nn[nH]c2c1)N1CCc2nc(-c3ccccc3)nc(O)c2C1 1857544038 IITLNHDQIZPZRV-UHFFFAOYSA-N 372.388 2.319 0 1 FEAF Cn1c(COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc2cccnc21 3824015 VJRCELWLZGOZTR-AWEZNQCLSA-N 368.418 2.441 0 1 FEAF CCCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@]23C=C[C@H]1O3 13147387 AVMYCGJNQUPEPM-NEYJZJCJSA-N 354.450 2.193 0 1 FEAF CCOC(=O)Nc1cc(N[C@H](C)[C@@H](O)c2ccc(O)cc2)c(N)c(N)n1 27196487 SLKUSXNCOQWAPI-RFAUZJTJSA-N 361.402 2.054 0 1 FEAF CN1CCN(c2cc3c(cc2Cl)c(=O)c(C(=O)O)c2n3CS2)CC1 27525013 QWBDTEPBUHADCN-UHFFFAOYSA-N 365.842 2.168 0 1 FEAF O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] 28861816 AIEXZIYFQBCCGK-UHFFFAOYSA-N 360.194 2.228 0 1 FEAF C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(C(N)=O)c4)cc3c21 28902101 GJAZEBCLMQRBQD-JTQLQIEISA-N 362.389 2.366 0 1 FEAF COc1cc(C)cc(OC)c1OC(=O)[C@H](CC[S@](C)=O)N1CCCC1 40465116 YNEIGJNEKCKFLJ-HWRSSNJWSA-N 369.483 2.151 0 1 FEAF CC(C)[C@@H]1C[C@@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40933263 IEKXWDNCZBHNEV-GXTWGEPZSA-N 352.822 2.293 0 1 FEAF CNCc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2ccccc2)c1 116579160 GVPAQTRXWQOIGK-UHFFFAOYSA-N 352.419 2.378 0 1 FEAF C[C@H](CF)Oc1cc(C(=O)N[C@@](C)(CC(N)=O)C2CC2)ncc1C1CC1 146156407 FLPDTGMQAJUKQC-WYRIXSBYSA-N 363.433 2.470 0 1 FEAF Nc1ncc(Cl)nc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587086780 LUHWFBPXZHAXSW-UHFFFAOYSA-N 368.788 2.315 0 1 FEAF COC(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2n1 587131787 TTXPLISXLDSUGN-UHFFFAOYSA-N 353.325 2.363 0 1 FEAF COc1cc2c3c(c1)O[C@@]1([C@H]4[C@H]5C[C@@H]6[C@@H]4[C@@]4(C(=O)O)[C@@H]1[C@H]5[C@@H]64)[C@@H](C2)C3=O 587453541 ZHIFXMPYRVYFLO-FAANEFQESA-N 350.370 2.024 0 1 FEAF O=C1Nc2ccccc2O[C@@H]1CC(=O)n1ncc2ccc(Cl)cc2c1=O 587654595 MCXLPRFUPHBIHO-OAHLLOKOSA-N 369.764 2.480 0 1 FEAF COC(=O)[C@](C)(O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810224 UFELMDONYOGOSD-SVGYWBMUSA-N 360.223 2.262 0 1 FEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)cc1C(=O)O 587871988 RUKVPHRXWAQENH-UHFFFAOYSA-N 358.329 2.208 0 1 FEAF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc(O)c1OC 963507729 JGFYFPREHWXDOI-SJCJKPOMSA-N 359.378 2.112 0 1 FEAF CN(C)[C@@H]1CCN(N(Cc2ccncn2)[C@H]2CCCc3cccnc32)C1 1857763530 JWKVNXFCPRWNRC-MOPGFXCFSA-N 352.486 2.302 0 1 FEAF COC(=O)C1=C(OC)C(=O)O[C@@H]1c1c(Cl)c2ccccc2oc1=O 1911584819 QZXYPOGRSYFCTA-GFCCVEGCSA-N 350.710 2.118 0 1 FEAF C[C@H]1CN(C(=O)[C@@H](C)N2CCN(c3cccc(Cl)c3)CC2)C[C@H](C)O1 57406267 SBBJIOXCFKOSDL-HRCADAONSA-N 365.905 2.486 0 1 FEAF CC(C)(C)CN1CCC(O)(c2csc(CN3CC[C@H](O)C3)n2)CC1 2356738716 UJIIYTZSSVWBLW-AWEZNQCLSA-N 353.532 2.039 0 1 FEAF CCCN1CNC(=O)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccccc1)CC2 28564270 ZSPGHWOXTYMDMQ-DENIHFKCSA-N 371.525 2.451 0 1 FEAF COc1ccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)cn2C)CC3)cc1 64526727 BTKRPPLRYLYGOR-UHFFFAOYSA-N 363.421 2.300 0 1 FEAF Cc1nccn1C1(C(=O)O)CCN(Cc2ccc3c(c2)OCCO3)CC1 72472977 AWLZFIDSQNZTEH-UHFFFAOYSA-N 357.410 2.039 0 1 FEAF CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cscc32)CC1 33884533 SZSCWPDMHVMTEX-UHFFFAOYSA-N 356.451 2.226 0 1 FEAF CCCn1c(=O)c2c(nc3n(CC)c(C)cn23)n(Cc2ccccc2)c1=O 40409602 ABHYOLCRTCYDDO-UHFFFAOYSA-N 365.437 2.399 0 1 FEAF CN1O[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2O)[C@H]1P(=O)(O)O 71330757 PXPGHUJLRBRORZ-DJIMGWMZSA-N 363.306 2.313 0 1 FEAF CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCCNc3ccccc3)n2)C1 82203725 IXLMPQLOJLAVRV-QGZVFWFLSA-N 354.458 2.024 0 1 FEAF CC(=O)Nc1ccc(CNCCCNC(=O)C2=CC(C)(C)NC2(C)C)cc1 40466172 OEKQWURFETVUMB-UHFFFAOYSA-N 372.513 2.328 0 1 FEAF Cn1c(O[C@H]2CCCN(c3ccccc3)C2)nc(-c2ccncn2)cc1=O 198757563 RBNVPVSHDPWACK-INIZCTEOSA-N 363.421 2.285 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]13COC(=O)[C@@H]1C=CC[C@]23O 197364173 GIJQQHRWYJFIMX-DJLVLGKWSA-N 356.374 2.454 0 1 FEAF CCC(=O)N1CCC2(CC1)CN[C@@H](CO)c1c2c2ccc(OC)cc2n1C 95868866 LGWYZPDCYYQAIB-INIZCTEOSA-N 371.481 2.094 0 1 FEAF C=CS(=O)(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OC(C)C 299836182 MUOPTICQIVCTKK-VOTSOKGWSA-N 355.412 2.042 0 1 FEAF Cc1ccc(OCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1 473128635 DIADOXZLFMRHTN-UHFFFAOYSA-N 351.406 2.419 0 1 FEAF CNc1nccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587741576 HTBKJDVTQGGRIN-XLKFXECMSA-N 351.223 3.044 0 1 FEAF Cn1ccc(-n2cc(C(=O)O[C@H]3C[C@H]4COC[C@@H](C3)N4)c3ccccc32)n1 1772642407 PQMAPCDWPZXSLS-QDMKHBRRSA-N 366.421 2.040 0 1 FEAF CC(C)C[C@H](CO)N1CCN(C(=O)c2cccc(Cl)c2)CCC1=O 13111158 JIZVJNRNVBKYID-MRXNPFEDSA-N 352.862 2.422 0 3 FEAF COC(=O)[C@H](CCSC)N(C(=O)c1ccccc1)C1CCNCC1 13472192 YMRVVSRSCXXTLI-INIZCTEOSA-N 350.484 2.176 0 1 FEAF Cc1ccccc1Nc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 169323734 ADMSARDNXHDXBV-INIZCTEOSA-N 363.373 2.140 0 1 FEAF CC(=O)c1cccc(NC(=O)COC(=O)Cn2cnc3ccccc32)c1 3280194 FBGYBXJMBHBERZ-UHFFFAOYSA-N 351.362 2.421 0 3 FEAF Cc1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 4223103 ZYECGCRLWLBAIN-NEBZKDRISA-N 374.466 2.153 0 1 FEAF COc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C[C@H]3CCCO3)c2n1 4238256 KEXNDOFUIDXKHY-CYBMUJFWSA-N 356.357 2.180 0 1 FEAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@H]([C@H](O)CCCCCC[C@H](O)CC(=O)O)C=CN21 2356363695 LTVJDZIDZGZAIH-WVXCVLBUSA-N 369.502 2.271 0 1 FEAF Cc1ccc2nc(CO[C@@H]3CN(C(=O)C4CCOCC4)C[C@H]3F)[nH]c2c1 2356300406 WDHKGJIJAZNORV-RHSMWYFYSA-N 361.417 2.363 0 1 FEAF C[C@@H](CCc1ccc(N(C)C)cc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1 27745105 XRIRNXLNSXNEBK-VBKZILBWSA-N 371.481 2.201 0 1 FEAF CO[C@H]1CC[C@H](c2ccc(N3C[C@@H](CNC(C)=O)CC3=O)cc2)CCC1=O 26753226 XWKBCRDTRAIEOR-MDYRTPRTSA-N 372.465 2.417 0 1 FEAF CCOC(=O)[C@@H](C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1 104197272 RIQCCRFLVANOAM-LLVKDONJSA-N 358.423 2.413 0 3 FEAF COc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)c1 74377297 JITLAPCUTSRKRQ-DLBZAZTESA-N 358.419 2.119 0 3 FEAF C=C1C2=C(O[C@H](/C(C)=C/[C@@H](C)C[C@@H](C)CC)[C@@H](O)[C@@H]2O)C(=O)N1OC 36375297 KMRRFXCHVAGVTO-UIUVAEDCSA-N 351.443 2.297 0 1 FEAF Nc1cc(N2CCN([C@@H](CN3CCCC3)c3ccc(F)cc3)CC2)ncn1 219303899 QTNXQGPDTJDWLZ-SFHVURJKSA-N 370.476 2.157 0 1 FEAF COc1cc(C[C@H]2C(=O)OC[C@H]2Cc2ccc(O)c(O)c2)cc(O)c1O 14646671 DQYAPSICKNYXBG-CHWSQXEVSA-N 360.362 2.092 0 1 FEAF biogenic CCCC(=O)[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195377242 STRMKLVHDMFVTN-ZMZJLVQYSA-N 355.434 2.226 0 1 FEAF Cc1cnc(-c2cc(N3CCC(NC(=O)CO)CC3)ncc2Cl)c(C)c1 146884537 XZHRXDWYBZZOEA-UHFFFAOYSA-N 374.872 2.491 0 1 FEAF Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c(C(=O)O)c(C=O)c1O2 238752724 CMFIIPKRBJKAKE-UHFFFAOYSA-N 372.285 2.363 0 1 FEAF C[C@H]1CN(c2ccc(-c3cccc(CN(C)C(=O)CN)c3)cn2)C[C@@H](C)O1 142992459 LXVCULZUKZONSR-IYBDPMFKSA-N 368.481 2.279 0 1 FEAF CS(=O)(=O)N(CC(=O)Nc1cccnc1F)c1ccccc1Cl 95558470 VSSMHCBMBYWYSS-UHFFFAOYSA-N 357.794 2.279 0 1 FEAF COC(=O)/C=C\NC(=O)c1cc2c([nH]c3c(O)cccc32)c(C(C)=O)n1 96086341 MSIFARBJMGDQFS-SREVYHEPSA-N 353.334 2.041 0 1 FEAF in-vitro C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@H]2CC[C@H](O)[C@@H]3[C@@]1(C)CC[C@H]1CCOC1 523041502 GOMXXHNZEQAZQB-UNLCHNSWSA-N 352.471 2.140 0 1 FEAF biogenic CC(C)(C)C(=O)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(C4CCCC4)n3)CO[C@H]12 36368800 PXBSHLIIKXGHDN-YYIAUSFCSA-N 374.485 2.243 0 1 FEAF biogenic COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=CC1=CC(=O)N3C[C@@H]2OC 85730417 GGVTWFRUJRJVGT-MJWYBRSISA-N 357.406 2.344 0 1 FEAF biogenic CCOC(=O)C(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800436 XBQOHCCPYYZJBT-ANRSDYALSA-N 358.207 2.470 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C)c(S(N)(=O)=O)c1)O2 587408060 DLMWPWAWHOZJFS-SFHVURJKSA-N 360.435 2.414 0 1 FEAF CN(Cc1nc2ccc(C(=O)O)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587171364 XCDLGRGNPZCQCJ-UHFFFAOYSA-N 363.370 2.221 0 1 FEAF CN1C(=O)C[C@H]2CN[C@@H](c3c(Br)ncn3C)c3cccc1c32 963034234 QXGVMFAXQRDMEC-LKFCYVNXSA-N 361.243 2.325 0 1 FEAF O=C(NCC(=O)N(CCO)C1CCCC1)c1cc2cc(Cl)ccc2[nH]1 12503409 VYWWADAXEZANEC-UHFFFAOYSA-N 363.845 2.315 0 1 FEAF c1ccc2c(c1)nc1n2[C@@]2(N3CCOCC3)CCC[C@H]2[C@H]1N1CCOCC1 13116370 DDVCADSEIQHMPX-SCWSEQNSSA-N 368.481 2.208 0 1 FEAF CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N(C)C)cc2C1=O 13781500 SBDBQMZCLBOJPE-UHFFFAOYSA-N 356.426 2.479 0 1 FEAF C[C@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccc(-n2c(O)c[nH]c2=O)cc1 169685087 FTXXOVTYDDSHFH-JTQLQIEISA-N 353.382 2.214 0 1 FEAF CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)[C@@H](C)CN2 169719759 BRDCIXMYUMWYDV-RMEHTXHKSA-N 357.458 2.278 0 1 FEAF CCCCOc1nc(N)c2nc(O)n(Cc3ccc(CCCN)cc3)c2n1 1857557750 FUIPTEIGXVAOLP-UHFFFAOYSA-N 370.457 2.233 0 1 FEAF CC(=O)Nc1ccc2nc(O)n([C@H](CC3CCCCC3)C(N)=O)c(=O)c2c1 1857621383 IWOJSADEARGZHQ-MRXNPFEDSA-N 372.425 2.057 0 1 FEAF C[C@]1(O)C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3CO 2356468663 LMRVOLJKVFSTPO-YAAQIIDPSA-N 352.471 2.034 0 1 FEAF O=C1N[C@H]2C(=O)c3c(Br)sc(Br)c3[C@H]2N1 6019281 KOESKBCJGMORCR-QWWZWVQMSA-N 352.007 2.192 0 1 FEAF O[C@@H]1CC[C@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNC1CCNCC1 2356388131 SOQNDURPZAFEEX-SFHLNBCPSA-N 371.481 2.134 0 1 FEAF Fc1ccc(Cn2nnnc2CN2CCN(C3CCCCC3)CC2)cc1 20098331 JRAIDRGFUMJFMZ-UHFFFAOYSA-N 358.465 2.311 0 3 FEAF O=C([C@@H]1CCN(c2ccccc2)C1=O)N1CCN(Cc2ccccc2)CC1 20601697 HCAUMXOCTMBVNX-FQEVSTJZSA-N 363.461 2.384 0 1 FEAF O=S(=O)(O)Oc1ccc2c(c1)OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4 14584303 OGNAERBXKNMZRC-MEDUHNTESA-N 364.331 2.207 0 1 FEAF biogenic [O-][n+]1onc2ccc(CN3CCN(C/C=C/c4ccccc4)CC3)cc21 49807440 HBKQCXKXFPSIPH-QPJJXVBHSA-N 350.422 2.292 0 1 FEAF Cc1cnc(N2CCN(C)CC2)nc1NCCCN(C)c1ccccc1 82202554 YGWVRBDSDUWDLU-UHFFFAOYSA-N 354.502 2.475 0 1 FEAF Cc1cc(=O)oc2c3c(ccc12)OC[C@@](CO)(CN1CCCCC1)C3=O 49037563 AZZAETOIWLMYBJ-FQEVSTJZSA-N 357.406 2.141 0 1 FEAF O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2)N1 43105138 CNUCYIDHDPTDOD-SFHVURJKSA-N 373.771 2.170 0 1 FEAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)C(C)(C)C)CC3 82196245 NDDDYGIMYDQFKQ-UHFFFAOYSA-N 354.410 2.452 0 1 FEAF c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(NC2COC2)n1 146789458 GTMPNCMMRRPDCA-UHFFFAOYSA-N 367.409 2.388 0 1 FEAF NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1 96910273 CNFAHVNPEUHGNP-UHFFFAOYSA-N 366.398 2.283 0 1 FEAF CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 95794498 CKJQXFVSYNFZRY-QUCCMNQESA-N 364.445 2.278 0 1 FEAF Cc1cc(Br)cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc12 586930079 OORWTIGMTOIXLZ-UHFFFAOYSA-N 355.217 2.276 0 1 FEAF COc1cc2c3c(c1)O[C@@]1(CS(=O)(=O)N(C)c4ccccc41)[C@@H](C2)C3=O 587451643 KVBPVHICEQXFLP-IFXJQAMLSA-N 371.414 2.118 0 1 FEAF Cc1ccnc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c12 586946327 KDHJXRCPNICVJZ-CQSZACIVSA-N 372.450 2.391 0 1 FEAF CCOC(=O)CCOCCCOCCc1nc2ccc(CCO)cc2[nH]1 587566827 BGGQESULRVBCBM-UHFFFAOYSA-N 364.442 2.017 0 1 FEAF COc1ccc2c(c1)CC[C@@](N)(c1nc3nc(Br)c[nH]c-3n1)C2 587246305 GARKRHIULAVFSC-INIZCTEOSA-N 374.242 2.419 0 1 FEAF COC(=O)c1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2n1 586979347 XHNXMYUTPBENTK-UHFFFAOYSA-N 364.203 2.369 0 1 FEAF COc1ccc(-c2cc(NC(=O)C(=O)O)c(C(=O)O)s2)cc1OC 13491465 KFPIHAKMICFRGW-UHFFFAOYSA-N 351.336 2.154 0 1 FEAF N[C@@H](Cc1ccc(-c2cccc(C(=O)O)c2)cc1)C(=O)N1CCSC1 14947640 HDUWGPMKHJFZQF-KRWDZBQOSA-N 356.447 2.455 0 1 FEAF CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)[C@@H]1O)Nc1ccccc14)[C@H]32 1632208 STPIZSHIGYPTLA-FYZZASKESA-N 352.434 2.192 0 1 FEAF CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(O)c(N)c1 27631650 HKSQPRTXKMCRNF-UHFFFAOYSA-N 360.366 2.421 0 1 FEAF Cc1nnc(NC(=O)C2=CC3=N[C@H](C4CC4)C[C@H](C(F)(F)F)N3N2)s1 104008454 MOMSHHWGVGVDQX-WCBMZHEXSA-N 372.376 2.001 0 3 FEAF C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SC[C@@H](C)O)CC(=O)O1 27307952 JSZMATWNNJCEPE-YUQQEIMXSA-N 372.527 2.279 0 1 FEAF C[C@H](Nc1nc2cc[nH]c(=O)c2cc1C(=O)NCCN(C)C)C(C)(C)C 64549580 HMPHOYHOCDWJJO-LBPRGKRZSA-N 359.474 2.061 0 1 FEAF O=C(OC[C@H](CO)CCn1cnc2c(Cl)ncnc21)c1ccccc1 28865048 IYRGWIFVUUDNPR-LBPRGKRZSA-N 360.801 2.335 0 1 FEAF CCNC(=O)c1ccc(-c2ccc3ncnc(N4CCOCC4)c3c2)o1 66128840 YABQIXJYGLNVEH-UHFFFAOYSA-N 352.394 2.476 0 1 FEAF CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](C)CN2 82212138 USSOBDLNCDACBN-CYBMUJFWSA-N 357.458 2.288 0 1 FEAF O=C(O)COc1cccc(CNC(=O)Nc2nnc(-c3ccco3)o2)c1 95920723 COAUEHYQQBGZLC-UHFFFAOYSA-N 358.310 2.115 0 1 FEAF in-vitro C[C@@H]1O[C@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@H](O)C[C@H]1O 253918645 XIOVVYUXTAJUCE-QLCQBRAFSA-N 364.438 2.285 0 3 FEAF CC[C@H](C(=O)NC[C@H]1CCCO1)n1nc(C)n2c(cc3sccc32)c1=O 5108468 VCQPPNGOHZSULG-CHWSQXEVSA-N 374.466 2.265 0 1 FEAF COc1ccc(CNc2nc3nc4c(c(O)n3n2)CCCC4)cc1OC 15668949 NNWITBWCXFRQFR-UHFFFAOYSA-N 355.398 2.338 0 1 FEAF CCC(=O)NCc1ccc(OC[C@@H](O)CNC(C)C)c(Br)c1 169335417 BGPOOJZWGQMLCY-ZDUSSCGKSA-N 373.291 2.213 0 1 FEAF Cc1c(N2CCC[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3637750 UGRLROASGRWGAN-GFCCVEGCSA-N 359.401 2.250 0 1 FEAF CC1CCN(C(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@@]2(C)CC[C@@H](O)[C@@]3(C)CO)CC1 8295047 XNXJJKLFGSSXSU-ORJOSYTKSA-N 367.530 2.182 0 1 FEAF biogenic CCCS(=O)(=O)N1CCc2[nH]nc([C@H]3COc4ccccc4O3)c2C1 23146017 ZFQOFTVICNQMLM-MRXNPFEDSA-N 363.439 2.020 0 1 FEAF O=C(c1cccs1)c1cc2c(c(Cl)c1Cl)O[C@@H](C1NNNN1)C2 27996224 DTZLYPBALJYHAY-MRVPVSSYSA-N 371.249 2.033 0 1 FEAF CC(=O)O[C@@H]1[C@H]2[C@@H]3C[C@@]14C(=Nc1ccccc14)[C@@H]1C[C@H]2[C@H](C=O)[C@@H](C)N13 138100374 GDXJMOGWONJRHL-OPORINFOSA-N 350.418 2.252 0 1 FEAF O=C1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCN1 205246822 MLCXAWAHXUAMQD-UHFFFAOYSA-N 371.404 2.018 0 1 FEAF O=S(=O)(NCc1nc2cnccc2[nH]1)c1ccc(Br)s1 586941614 CSZXZQXFAJZKOG-UHFFFAOYSA-N 373.257 2.260 0 1 FEAF Fc1ccc2c(c1)-c1cc(n(C(=S)NCCCN3CCOCC3)n1)O2 587877050 YETCNHVQVXKIIN-UHFFFAOYSA-N 362.430 2.240 0 1 FEAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(N(C)CCO)nc1 963048133 SDNVYFWFOVMORF-FQEVSTJZSA-N 364.449 2.302 0 1 FEAF COc1cc2[nH]c(C(=O)O)c([C@H]3c4nn(C)cc4CCN3C)c2cc1OC 963954970 NMGNSWCVASUJIA-SFHVURJKSA-N 370.409 2.194 0 1 FEAF CCNC(=S)Nc1cc(-n2cnc(CNC3CCCCC3)c2)ncn1 1772652117 RIYABXGLUCJQBX-UHFFFAOYSA-N 359.503 2.391 0 1 FEAF C[S@](=O)CCCCNC(=S)SCCNC(=O)OC(C)(C)C 1857555321 AMBGNANBFJVPDV-NRFANRHFSA-N 354.563 2.278 0 1 FEAF CC=C1CN2CC[C@]34C(=Nc5ccccc53)[C@@](CO)(C(=O)OC)[C@H]1C[C@@H]24 2356545120 DSOCELULQRKOMA-JHOJWFKBSA-N 352.434 2.216 0 1 FEAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(F)cc2)n1 2356587976 FCVLDYJTNOWOQM-MTQWCTHYSA-N 373.472 2.429 0 1 FEAF CC(=O)N1CCC(N2C[C@H](F)[C@H](OCc3nc4ccc(C)cc4[nH]3)C2)CC1 2356737396 PQUNSWUECODTGS-QFBILLFUSA-N 374.460 2.421 0 1 FEAF CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(O)c1OC 26385148 UVEHPRQRFSJENI-NSHDSACASA-N 357.248 2.377 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@]21C 100829361 WKMBTXJFBQEZHO-ONTSEQHZSA-N 362.422 2.452 0 1 FEAF endogenous,in-man COc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H](CC(C)(C)O)C[C@@H]4[C@H](C2)N(C)CC[C@@]341 102220720 BTDCAZOVYZIULV-WMDFANIRSA-N 373.493 2.112 0 1 FEAF O=C1NC(=S)N/C1=C/c1cc2ccc(-c3ccc4c(c3)CNC4=O)cc2[nH]1 103237684 QSJQKEAAANSWDW-CAOOACKPSA-N 374.425 2.424 0 1 FEAF COc1cc2oc(C)cc(=O)c2c(O)c1CC(=O)OC=C(C)CC(=O)O 2356532029 PJHXBFWHRDYLAH-UHFFFAOYSA-N 362.334 2.280 0 1 FEAF C[C@@H]1N[C@H](CCCCCC[C@H](CO)CC[C@H](O)CC(=O)O)CC[C@@H]1O 2356572262 VJJZUCVDBNEUFA-JCECYMMASA-N 359.507 2.053 0 1 FEAF COC(=O)C[C@@H]1C[C@H](C)O[C@H](c2cc(C)c(OC)c3c2COC3=O)O1 2356821407 GAIFOSFDGGZWGW-FHGNATFXSA-N 350.367 2.430 0 1 FEAF Cc1ccc(CCCNC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 1911576748 ICSNWNWTBVQNTP-SFHVURJKSA-N 356.422 2.287 0 1 FEAF NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1ccc(=O)[nH]c1 45339017 YVLHBHTXWLXHJE-LJQANCHMSA-N 370.840 2.333 0 1 FEAF CNCC(=O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O 49089230 BXRBQSOCONPANY-UHFFFAOYSA-N 363.414 2.207 0 1 FEAF NS(=O)(=O)c1ccc(N2C(=O)CS[C@H]2c2ccccc2F)cc1 96917051 NKPOHOZIZMAZSF-HNNXBMFYSA-N 352.412 2.252 0 1 FEAF CC1CCN(C(=O)[C@H]2C[C@H]3CCN(CC4CCOCC4)C[C@@H]3O2)CC1 299843923 ZUGPTNIVYPXXDB-QRVBRYPASA-N 350.503 2.151 0 1 FEAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(N)c(N)cc3[nH]2)cc1 586941037 NBJAWDQOGYRSPX-VOTSOKGWSA-N 357.439 2.126 0 1 FEAF CN(C)C(=O)c1ccc2nc(CCNC(=O)Cc3ccccc3)[nH]c2c1 587228456 MJGSUJXILLXYFL-UHFFFAOYSA-N 350.422 2.166 0 1 FEAF CCOC(=O)[C@@H](C)[C@@]1(c2ccco2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962896241 LQSJCZYXPPFMSF-VZMUKZCBSA-N 361.369 2.460 0 1 FEAF COC1=CC=CC[C@@H]1[C@@H](CN(C)C)Nc1ncnc2c(C(N)=O)cccc12 167069604 OKFZWSPIHHWNPJ-CZUORRHYSA-N 367.453 2.177 0 1 FEAF CC(C)(O)C=CC=C1COC(=O)[C@@H]2[C@H]1CC[C@@]1(C)C[C@@]2(O)CC[C@@H]1O 2356393761 RYJGTWUENJOFBS-UKSSEWCLSA-N 350.455 2.105 0 1 FEAF O=C(O)c1cn(-c2nccs2)c2nc(N3CCCC3)c(F)cc2c1=O 27635946 HBLOYZGBURDPDR-UHFFFAOYSA-N 360.370 2.280 0 1 FEAF C[C@]1(O)OC[C@H](C(=O)O)[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]21 2356473308 AQHLWAARHKACOY-GUEUDTIMSA-N 356.422 2.143 0 1 FEAF CC(C)=CC(=O)O[C@@H]1CC(=O)[C@@]2(C)[C@@H]1[C@@H](C)C[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@H]2O 2356527416 GZJSYCISXGQHLT-UCADYLCISA-N 364.438 2.038 0 1 FEAF CC(=CCO)CCC=C(CO)CC[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1 2356733735 RXGMJLUUKIBYON-CMKODMSKSA-N 356.503 2.474 0 1 FEAF CNC[C@@H]1CCN(C(=N)NC)C[C@@]12[C@H]1CC[C@@H](C)[C@@]23CCC(C(=O)O)=C3C1 2356839619 LWJIWZZVVNGGQT-AZVDKKQPSA-N 374.529 2.279 0 1 FEAF COC1=CC2=C(O)C(=O)N3[C]([C@H]4CCCN4C(=O)c4ccccc43)N2C=C1 2356844081 AIKNYQZXGCISDQ-OAHLLOKOSA-N 364.381 2.270 0 1 FEAF Cc1ccc(-c2cc(CN(Cc3ccccc3)[C@H](CO)C(N)=O)no2)cc1 29562955 LEJANUGTOPFRSY-LJQANCHMSA-N 365.433 2.498 0 1 FEAF NC(=O)Cn1c2c(c3cc(Br)ccc31)CC[C@@H](C(=O)O)C2 212138054 IALVQODOZJMHOS-MRVPVSSYSA-N 351.200 2.079 0 1 FEAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@@H](CO)[C@H]2OC(=O)C(O)=C2O)cc1 221742355 YNKKAGIHMCBODM-PZSREKOKSA-N 364.394 2.146 0 1 FEAF C[C@@H](O)CNc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1 223671437 HDAPHVRPLCQEFJ-DGCLKSJQSA-N 370.482 2.320 0 1 FEAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cc[nH]n2)n1 84733712 XKCVTPJGJTWTHL-UHFFFAOYSA-N 354.439 2.195 0 1 FEAF CC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)c1nc2ccccc2o1 82064930 HPOMTJFDNZJAEZ-ZFWWWQNUSA-N 359.426 2.456 0 1 FEAF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 95794760 PJVILNJNYGBHHM-GDBMZVCRSA-N 356.388 2.390 0 1 FEAF CCN1C[C@]2(C)CC=C[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6O 255228407 LSVGXZONTJGRLJ-QDQDSUEZSA-N 359.510 2.056 0 1 FEAF CNS(=O)(=O)c1cc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)n(C)c1 586947421 NWJSVXVJMORXSD-UHFFFAOYSA-N 374.344 2.375 0 1 FEAF Nc1cc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2cc1N 587259845 NGNDKAJWAADCBX-ZDUSSCGKSA-N 368.441 2.434 0 1 FEAF O=S(=O)(NCc1nc2cccc(O)c2[nH]1)c1ccc(F)c(F)c1F 587134954 XXCZTHYDZAHIHQ-UHFFFAOYSA-N 357.313 2.164 0 1 FEAF CC(C)n1cnnc1-c1nc(C(=O)Nc2cnn(C3COC3)c2)cs1 1772654050 RJBPLHQRRKWEAR-UHFFFAOYSA-N 359.415 2.003 0 1 FEAF O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](CO)C2 169309343 CDRQZZJANOQFIF-PKWAYOAASA-N 367.858 2.122 0 1 FEAF C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cnn(C)c4)c(=O)n1c23 1857573519 MZIFTQOKZAGIEG-SNVBAGLBSA-N 370.384 2.017 0 1 FEAF NCc1cc(Oc2cccc(C(=O)NC3COC3)c2)nc(C(F)(F)F)c1 1857621545 JIMDQTNPLVRAES-UHFFFAOYSA-N 367.327 2.480 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 100829352 YOQIGAVHLYFIAF-AANDLMDLSA-N 364.438 2.243 0 1 FEAF endogenous,in-man Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(O)c1)C1=C(O)CCCC1=N2 100703220 YVPPDDDDEQROAV-AWEZNQCLSA-N 353.378 2.004 0 1 FEAF CC(=CCc1c(O)cc2c(c1O)C(=O)[C@H](c1ccc(O)cc1O)CO2)CO 2356482245 JLXNQYUNQWGLQD-AWEZNQCLSA-N 372.373 2.349 0 1 FEAF CC=C1CN(C)[C@H]2C[C@@H]3[C@H](N[C@@H]4CCCC[C@@H]34)C(=O)C[C@H]1[C@@H]2C(=O)OC 2356486706 AYJGPXFEPLVVNT-WSFPDLPKSA-N 360.498 2.162 0 1 FEAF CCn1c(=O)c2[nH]c(-c3ccc(Br)cc3)nc2n(CC)c1=O 26017464 SUYRWQVHIHGHRP-UHFFFAOYSA-N 363.215 2.356 0 1 FEAF CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2CC(OC)C2)n1 653670135 FWTPOLDTWLLZND-UHFFFAOYSA-N 351.357 2.120 0 1 FEAF NC(=O)C[C@H](C1CCCCC1)n1cc(Nc2ncnc3[nH]cnc23)cn1 653847611 CFKUREQRGZJXLW-CYBMUJFWSA-N 354.418 2.290 0 1 FEAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586962152 OUHYTASNWNCXLY-ZETCQYMHSA-N 356.411 2.379 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(F)c(N)c(F)c3)[nH]c12 587134740 MAQGPUFYKOQDMX-UHFFFAOYSA-N 352.366 2.341 0 1 FEAF CCOC(=O)c1cnn(-c2nc(C)nc3c2sc(=S)n3CC)c1N 957877291 PZTNIULGAWYHLN-UHFFFAOYSA-N 364.456 2.495 0 1 FEAF CCOC(=O)[C@@H]1Cc2ccccc2[C@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962897597 MUTWWIMUJGEKML-WJPUGNRLSA-N 369.392 2.404 0 1 FEAF Cc1cc2c(cc1O)[C@]1(CCN(Cc3ccccc3)C1)N[C@H](C(=O)O)C2 963473087 QOCHNNMJDCHPFA-GHTZIAJQSA-N 352.434 2.401 0 1 FEAF COc1ccc(F)cc1C(=O)[C@H]1CCCN(C(=O)Cn2nc(C)nc2C)C1 11843975 QBYBBYDVLAAEAN-AWEZNQCLSA-N 374.416 2.164 0 1 FEAF C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12 13326080 SNZRAKOFDSGBRF-LABVUGMQSA-N 358.390 2.039 0 1 FEAF biogenic O=C(Cc1sc2ncnn2c1O)Nc1ccc(Br)cc1 169691929 MSHFJNVQHJDOJC-UHFFFAOYSA-N 353.201 2.440 0 1 FEAF OCCNc1cc(-c2cncc(NCC3CCOCC3)n2)c(Cl)cn1 169703793 OOGWIORWHBOXPZ-UHFFFAOYSA-N 363.849 2.435 0 1 FEAF CC1CCN(C[C@H](NC(=O)[C@@H]2Cc3ccc(O)cc3CN2)C(C)C)CC1 1857745098 QHBNPMPKVNZQAM-PMACEKPBSA-N 359.514 2.279 0 1 FEAF Cc1c(N2CC[C@H]([C@@H](C)N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3637777 BNDYLFXLDDCBDO-YPMHNXCESA-N 373.428 2.496 0 1 FEAF CO[C@@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)[C@H]1O 29477391 QRMYFVCKXAQEDN-ZVZGYBOSSA-N 372.417 2.418 0 1 FEAF NCCN1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 100970684 OSRMBLYTVLCJBF-IYBDPMFKSA-N 352.390 2.299 0 1 FEAF CCc1nnc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccncc2)s1 23128552 VQXYNMJUHDUREC-AWEZNQCLSA-N 355.427 2.398 0 1 FEAF CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)NC1CC1 28702059 JAYOTIYEEIFDMP-OAHLLOKOSA-N 358.398 2.077 0 1 FEAF NCCN(CCCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1 73159853 VDCHBUUTTZTTDX-UHFFFAOYSA-N 373.522 2.084 0 1 FEAF CC(C)[C@H](C)n1cc(-c2cc(C(C)(C)O)n(C)n2)c2[nH]nc(N)c2c1=O 224387620 MUDVASGRHKWSTJ-JTQLQIEISA-N 358.446 2.152 0 1 FEAF in-vitro COc1ccccc1CNc1nc(N2CCC[C@@H](C(N)=O)C2)ncc1C 82203773 UZYXHWATBVJGLH-OAHLLOKOSA-N 355.442 2.107 0 1 FEAF CCOc1cc(Cc2cnc(N)nc2N)cc(Br)c1OC 45201674 KWQYEMKIHFIPGW-UHFFFAOYSA-N 353.220 2.402 0 1 FEAF OCC1CCN(c2nccnc2C2CN(c3ccc(Cl)cn3)C2)CC1 144776427 PPTQERYEOVAAAI-UHFFFAOYSA-N 359.861 2.338 0 1 FEAF O=C(NC1CCCCC1)N[C@@H]1CO[C@@H]2[C@@H](OCc3ccccc3)CO[C@H]21 25237393 SRFFDAGXVOLJMD-YDZRNGNQSA-N 360.454 2.370 0 1 FEAF biogenic CC1=C2[C@@H](OC(=O)C(C)C)[C@]3(C)[C@@H](C)CCC[C@]3(O)C[C@]2(O)OC1=O 238779483 SWBUICHZUKBNOP-KRAFWLIGSA-N 352.427 2.077 0 1 FEAF O=C1C[C@]23CCN(CC4CC4)[C@H]4C[C@H](O)[C@H]1C[C@]42Cc1ccc(O)cc13 254132273 LOXFETCCXNYJIL-DOYHNPMNSA-N 353.462 2.401 0 1 FEAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 587938585 XSEPKDJTIBTURV-MGPLVRAMSA-N 361.423 2.056 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)C=C2C(N)=O)N1 587775455 SPECSWWLSWDPFX-ABKXIKBNSA-N 366.234 2.146 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CS(C)(=O)=O)N1 587850486 QKWQLDFAHRHNPT-OQPBUACISA-N 350.253 2.382 0 1 FEAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCO 4049193 AGKGKBZBVDWXGL-HKUYNNGSSA-N 354.406 2.286 0 1 FEAF O=C(CSc1nc(=O)n2cc(Cl)ccc2n1)NCCc1ccccc1 4504278 GUQRWFPDOUFXEN-UHFFFAOYSA-N 374.853 2.194 0 3 FEAF O=C1[C@H]2C[C@@H](CN2C(=O)C2CC2)Oc2ccccc2N1Cc1ccccn1 2356300475 WWSZZMPPIRXFCI-FUHWJXTLSA-N 363.417 2.387 0 1 FEAF CCn1cc(C(=O)N[C@H](C)C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21 103185493 ALPLYECZYAHXES-MRVPVSSYSA-N 356.300 2.243 0 1 FEAF C[C@@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)cc3n21 59536841 SHNZBTHVGXHLLD-BDAKNGLRSA-N 363.414 2.043 0 1 FEAF CC(C)CCN1CCC(O)(c2csc(CN3CC[C@H](O)C3)n2)CC1 2356333646 VKGBHVQFDFKKKH-HNNXBMFYSA-N 353.532 2.039 0 1 FEAF Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N4CC[C@H](O)C4)cc23)c1 118597501 MTAMTSBOGRBXGX-AWEZNQCLSA-N 351.406 2.375 0 1 FEAF in-vitro CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H](OC(=O)C(C)=CCO)C1 2356539850 CFUOHDSKOJEYFL-BGTYHANMSA-N 364.438 2.063 0 1 FEAF CNC(=O)NC(=O)/C(=C/C1CCCC1)c1ccc(-n2nnnc2C)c(F)c1 34282845 KKSIHNCDBOMQRF-NTEUORMPSA-N 372.404 2.139 0 1 FEAF CCCCn1c(-c2ccc(C)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 45284402 UGPDOTHOCJYPEY-UHFFFAOYSA-N 351.410 2.452 0 1 FEAF COCCS(=O)(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1 43078768 WHFDUZQMHSPVLQ-UHFFFAOYSA-N 369.531 2.216 0 1 FEAF CCCCn1c(-c2cccc(C)c2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 45300485 PLKPOCHADNPZSZ-UHFFFAOYSA-N 351.410 2.452 0 1 FEAF O=C(O)CCCCCC[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCCCCO 85627279 LDUBDFDZFOQXGF-DUQNIMGUSA-N 370.486 2.448 0 1 FEAF C/C=C1/CN(C)C(=O)[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 238759716 SBJLRAOPYMKDRU-COPQTISRSA-N 366.417 2.491 0 1 FEAF CO[C@@H]1[C@@H](C(=O)O)[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@H]1O 238737423 MTPIGWYBUMYQDT-DOGZXOHNSA-N 370.449 2.184 0 1 FEAF CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@@H]4[C@H](C)OC[C@H]([C@H]4CC2=O)[C@@H]13 257417202 FMZMLKGLGADCPQ-OFZPGQPRSA-N 368.477 2.235 0 1 FEAF COc1cc2c3c(c1)O[C@@](CC(=O)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587447210 NSPDRDVJDZFJGM-XOBRGWDASA-N 352.342 2.382 0 1 FEAF COC(=O)c1ccnc2[nH]c(C[C@H](NC(C)=O)c3ccc(C)cc3)nc12 587216497 CKSKUBSLLBMBFN-HNNXBMFYSA-N 352.394 2.473 0 1 FEAF CN(C)/C=C1/c2nc3nc(O)nc(O)c3cc2CCN1C(=O)OC(C)(C)C 587557165 GPUWILNGLBYJFC-XFXZXTDPSA-N 373.413 2.089 0 1 FEAF COc1nccnc1[C@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962656247 ACKGNLQZLLEICD-UZLBHIALSA-N 364.405 2.221 0 1 FEAF NCC(F)(F)[C@@H]1CC[C@]2(C1)N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963236338 WOOUJBQBFWMPDC-DPZKZMLUSA-N 361.392 2.423 0 1 FEAF COc1cc(CCNC(=O)c2cnn3ccccc23)cc(OC)c1OC 5035621 PALYUZFLEYAOOE-UHFFFAOYSA-N 355.394 2.333 0 3 FEAF CNC1=NC(=O)[C@H]([C@@H](C)c2cn(C(=O)CCC(=O)O)c3ccccc23)S1 169319783 TYLAUZGFEFLERF-QFYYESIMSA-N 373.434 2.467 0 1 FEAF Cc1ncc(-c2ccn3ncc(-c4ccnc(N5CCOCC5)c4)c3n2)cn1 1857555752 SDDVXCRMWDVDHF-UHFFFAOYSA-N 373.420 2.393 0 1 FEAF O[C@@H]1[C@H](NCc2ccc(Cl)c(Cl)c2)[C@H]2CO[C@@H](O2)[C@H]1n1ccnc1 2356297729 XUWFHTIYVJOKGG-LJIZCISZSA-N 370.236 2.005 0 1 FEAF COc1cc(O)c2c(c1)[C@H]([C@@H]1CC[C@H](O)[C@]3(CCC[C@@H](C)O3)O1)OC2=O 2356501117 OJAFRAAQCYCPAI-DMVMQMBISA-N 364.394 2.438 0 1 FEAF O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C1 74378182 JGFVYDKXVGTUDR-YOEHRIQHSA-N 354.337 2.430 0 3 FEAF O=C1CC[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@H](O)CC5=O 34095872 KNTWJKOMBDNCPG-CDHQVMDDSA-N 366.325 2.123 0 1 FEAF CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)[C@H]3CCCO3)CC2)no1 71316998 PLMZBCHNROYAMU-CYBMUJFWSA-N 364.446 2.217 0 1 FEAF CCCCOC(=O)COC(=O)[C@H](NC(=O)c1csc(CC)n1)C(C)C 82070359 LMCVVQQSEIJJLA-OAHLLOKOSA-N 370.471 2.346 0 1 FEAF CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@@H]1CC(=O)NCCO 25428049 PROXDUGAXYIWMM-LSDHHAIUSA-N 363.458 2.074 0 1 FEAF biogenic C[C@@H]1C(=O)[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 95909726 ACMWVFQSRHHUMC-WGRDYNQISA-N 350.455 2.328 0 1 FEAF biogenic,in-vitro C/C(=C\Cc1c(O)cc2c(c1O)C(=O)[C@H](c1ccc(O)cc1O)CO2)CO 140084116 JLXNQYUNQWGLQD-GYBCPRKVSA-N 372.373 2.349 0 1 FEAF CC(=O)NC[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(C)=O 95895102 LKMXYQNMWFUTMA-HBMCJLEFSA-N 370.424 2.304 0 1 FEAF CSCC(=O)N[C@@H]1CCN2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2C1 25184734 UGFWLBJEQRTQAA-DGCLKSJQSA-N 367.858 2.119 0 1 FEAF biogenic CCCCNS(=O)(=O)c1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2c1 586959153 LQVBHIMOEFQORH-QHCPKHFHSA-N 369.512 2.300 0 1 FEAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](C)O)[nH]c2c1 586893311 VJJOGOKREYEHFM-NSHDSACASA-N 361.423 2.296 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1N1CCOCC1)[C@@H](C2)C3=O 587432170 ONQCDGAIBKZUEU-LIRRHRJNSA-N 369.421 2.062 0 1 FEAF COc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)n1 587576149 MUSVBNNSCDAKBO-WMLDXEAASA-N 365.345 2.476 0 1 FEAF CNS(=O)(=O)c1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587447736 FCAHJGXGELPITQ-KDOFPFPSSA-N 359.403 2.092 0 1 FEAF C=C1C(=O)O[C@@H]2/C=C(\COC(=O)[C@@H](C)CC)CC/C=C(\CO)C(=O)C[C@@H]12 14809527 QHGKREFYCJPLAM-PXCWDIPTSA-N 362.422 2.272 0 1 FEAF biogenic COC(=O)[C@@H]1C[C@]23CCCN4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 17353449 XGYZDZNXCXHGBV-XSXWSVAESA-N 366.461 2.481 0 1 FEAF Cc1nc2c(s1)CN(c1ncnn3c(C)nc([C@H]4CCOC4)c13)CC2 169711654 OIJMEJHVROTLNO-LBPRGKRZSA-N 356.455 2.264 0 1 FEAF COc1cc(OC)cc(C(=O)OCc2ccc3nc(N)nc(N)c3c2)c1 3814846 XGAGATVAXMREQY-UHFFFAOYSA-N 354.366 2.168 0 1 FEAF CO[C@@H]1CC[C@@H](c2ccc(N3C[C@H](CNC(C)=O)CC3=O)cc2)CCC1=O 58601870 XWKBCRDTRAIEOR-RIFZZMRRSA-N 372.465 2.417 0 1 FEAF CC(C)C[C@H](NC(=O)c1ccc(C(C)C)cc1)C(=O)N[C@H]1COCC1=O 26156363 HGQYNEJDJIDFBY-IRXDYDNUSA-N 360.454 2.039 0 1 FEAF COc1ccc2cc([C@H](C)C(=O)NCc3n[nH]c(=S)n3N)ccc2c1 103198501 NHTOLOWTTIZWPX-JTQLQIEISA-N 357.439 2.236 0 1 FEAF CCOC(=O)N1Cc2c(OC)nc3nc(C(=O)c4ccccc4)cn3c2C1 28231158 OAKKRXVZXFSXBV-UHFFFAOYSA-N 366.377 2.441 0 1 FEAF CC(=O)N[C@@H](CSC(=O)Nc1ccc(Br)cc1)C(=O)O 66252251 DCNJOIHUDNVXCE-JTQLQIEISA-N 361.217 2.304 0 1 FEAF Cn1cc(C(=O)NCCO)c2c1-c1nc(Nc3ccccc3)ncc1CC2 64527932 IEMIQIMEMFFPEZ-UHFFFAOYSA-N 363.421 2.046 0 1 FEAF Cn1cc(-c2cnn3c(N)c(-c4ccncc4)c([C@@H]4CCCNC4)nc23)cn1 60327274 JZUAYXXMLDWSQX-CQSZACIVSA-N 374.452 2.241 0 1 FEAF O=S(=O)(CCCN1CCc2cc(O)ccc2[C@H](O)C1)c1ccccc1 64573569 ZYYFEHLCIDSZSW-LJQANCHMSA-N 361.463 2.148 0 1 FEAF CC(C)[C@]1(O)C=C2[C@H](O)C[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@]2(O)CC1 2356564124 IKFPEPLBKUUDDK-GFBDQPOWSA-N 352.471 2.487 0 1 FEAF CC=C1CO[C@H](O)[C@]2(C(=O)OC)[C@H]1CC1=NCCc3c1n2c1ccccc31 2356613703 VERVUAYOVAQZHF-ONGXBYRLSA-N 366.417 2.170 0 1 FEAF CC(C)(C)C(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccccn3)on2)CC[C@@H]1O 2356731965 OTRPJNIHGHUQBJ-ZVZYQTTQSA-N 373.453 2.350 0 1 FEAF CCOC(=O)C(I)=CI 2356745463 BGWAPSOQPCDAFQ-UHFFFAOYSA-N 351.909 2.261 0 1 FEAF COC(=O)C[C@@H]1C[C@@H](C)O[C@@H](c2cc(C)c(OC)c3c2COC3=O)O1 2356821409 GAIFOSFDGGZWGW-LIBAHTEVSA-N 350.367 2.430 0 1 FEAF COc1cc(OC)c(S(=O)(=O)N(C)c2ccccc2)cc1NC(C)=O 73258632 VLBXOYVWEBHPSO-UHFFFAOYSA-N 364.423 2.487 0 1 FEAF N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 45245857 QAWNQARUXUZHCB-HKUYNNGSSA-N 363.417 2.076 0 1 FEAF C[C@@H](Cc1cnn(-c2ccc(O)cn2)c1)C(=O)NC1=C(C(=O)O)CCCC1 49036842 VJKCUAUQIKBMGF-LBPRGKRZSA-N 370.409 2.180 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NC(C)C)[C@@H]2CNC(C)=O)cc1 95668622 MMKHNTDAMPSYBJ-RTLRUIJZSA-N 359.470 2.103 0 1 FEAF O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@@H]2N(C(=O)c2ccsc2)C1 299842132 DNCPWKMQDCLMPN-CWRNSKLLSA-N 357.435 2.401 0 1 FEAF CCOC(=O)C(Cl)(Cl)[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962924576 UATGRKALLVRITH-FZMZJTMJSA-N 364.200 2.377 0 1 FEAF COc1cccc(OCC(=O)NCC(=O)Nc2ccc(OC)cc2C)c1 205569569 MHUIAGUYMSUWRF-UHFFFAOYSA-N 358.394 2.146 0 1 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cncnc4)c(=O)n1c23 1857584559 DSEGAFGOTQCMMD-JTQLQIEISA-N 368.368 2.073 0 1 FEAF COc1cccc(CCCNC(=O)Cc2cc(OC)c(OC)cc2CO)c1 1650707 DZRFKXXLDCNOMJ-UHFFFAOYSA-N 373.449 2.496 0 1 FEAF CC(=O)N1CCOc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc21 6819309 LSKKFJPDDOOMRL-CHWSQXEVSA-N 352.456 2.384 0 3 FEAF O=C(C1CCOCC1)N1C[C@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356299880 PTLYGNZUPZWFRY-XJKSGUPXSA-N 365.380 2.194 0 1 FEAF NCC(=O)N1CCCN(C(=O)c2cc3c(cn2)sc2ccccc23)CC1 26831721 UVEFMSHIOKJADD-UHFFFAOYSA-N 368.462 2.083 0 1 FEAF COc1cc(C[C@@H]2COC[C@@]2(O)Cc2ccc(O)c(OC)c2)ccc1O 2356557745 ZYPCXCQCIVYBNM-QRWLVFNGSA-N 360.406 2.278 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 2356640688 NFAZPKOZGQLFNL-IJQUDABNSA-N 364.438 2.243 0 1 FEAF Cc1cccc2ncc(Cn3c(=O)n(CCC(=O)O)c4ccccc43)n12 72176285 HKSFJWVONYBSCN-UHFFFAOYSA-N 350.378 2.282 0 1 FEAF O[C@]12CO[C@@H](c3ccc4c(c3)OCO4)[C@H]1CO[C@@H]2c1ccc2c(c1)OCO2 33832020 CAQZFLPWHBKTTR-ZNYHDOEXSA-N 370.357 2.334 0 1 FEAF biogenic,in-vitro COc1ccc(CCNc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)cc1 82204033 GSPWOBBEQCKSJD-MRXNPFEDSA-N 369.469 2.150 0 1 FEAF O=c1ncn(Cc2ccccc2Cl)c2nc(N3CCOCC3)sc12 84688280 UVMCCRMQKJPSRW-UHFFFAOYSA-N 362.842 2.391 0 1 FEAF CNc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C(C)C)c2n1 142953115 MSTKYAWLVPHCSO-UHFFFAOYSA-N 368.441 2.289 0 1 FEAF CCOC(=O)C[C@@]1(c2cc(C)nn2C)CC(=O)c2cc(C)cc(N)c2O1 587392192 RPNVXOIAQORDJY-LJQANCHMSA-N 357.410 2.433 0 1 FEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)ncc(F)c3[nH]2)c1 586935479 HNIHQDPTTQREAE-UHFFFAOYSA-N 357.798 2.432 0 1 FEAF CCOC(=O)C1C[C@H]2CC3(CC(=O)c4cc(C)cc(N)c4O3)C[C@@H](C1)N2 587402452 XVZHKINEPIZQEF-NOGQBPGJSA-N 358.438 2.375 0 1 FEAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586937898 GXOJWUHYWMAPJJ-JTQLQIEISA-N 362.459 2.028 0 1 FEAF COC(=O)COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962917459 ZNLGABKHJDIBGZ-WMZOPIPTSA-N 359.353 2.066 0 1 FEAF COc1cc(O)c2c(c1OC(C)=O)OC[C@H](Cc1ccc(O)cc1)C2=O 14811060 NXGGYXKVAVMQLL-LBPRGKRZSA-N 358.346 2.466 0 1 FEAF endogenous,in-man O=C(O)CCC[C@H](O)[C@@H](O)C=CC=CC=CC=C[C@@H](O)CCCCCO 2356343138 JGHYLPPTOXKEKH-QYZOEREBSA-N 368.470 2.102 0 1 FEAF Cc1c(N2CC[C@](C)(N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3646695 SVKCADFSORRFAD-IBGZPJMESA-N 359.401 2.250 0 1 FEAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4cccnc4[nH]3)C2)cn1 2356302291 QUFARTTXVHATAJ-UKRRQHHQSA-N 357.389 2.101 0 1 FEAF CC=C(C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)C=C(C)[C@@H](O)[C@@](C)(O)C(=O)O 2356853716 RISIMRWMWMZZPW-AOSVSCPQSA-N 370.486 2.036 0 1 FEAF NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1S 34799869 MYHKNDAXFYJZDT-UHFFFAOYSA-N 356.856 2.206 0 1 FEAF COCCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 82209662 YZLYETRTNDWXCO-MRXNPFEDSA-N 372.469 2.129 0 1 FEAF CCc1nc(C(=O)N[C@H](C(=O)NCCCN2CCCC2)C(C)C)cs1 82070180 JPVLBDKTSAWRDQ-INIZCTEOSA-N 366.531 2.062 0 1 FEAF O=c1oc2ccc(O)cc2c(O)c1Cc1c(O)c2cc(O)ccc2oc1=O 238748479 ICPVYNIQTIUBID-UHFFFAOYSA-N 368.297 2.313 0 1 FEAF O=C(O[C@H]1CCN2C[C@H]3C[C@H](C(=O)N4CCCC[C@@H]34)[C@@H]2C1)c1ccc[nH]1 238749656 DDQYUQPEQYHDHG-RCMKLKEOSA-N 357.454 2.035 0 1 FEAF CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 95875161 SIXKQJSUWIYCRJ-ZACQAIPSSA-N 367.287 2.220 0 1 FEAF CC(/C=C/C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)=C\[C@H](C)CC(=O)O 299867322 QDUUNHXRESPFEU-ZSRCIZJMSA-N 361.394 2.117 0 1 FEAF Oc1nc(S)nc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587006917 DOQQANNMRDNUCO-UHFFFAOYSA-N 363.200 2.424 0 1 FEAF COC(=O)[C@@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809148 QXBQCAWRTWQJNA-AYVTZFPOSA-N 358.207 2.470 0 1 FEAF O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586889751 MSXMQFZSIBKZOL-SFYZADRCSA-N 358.194 2.079 0 1 FEAF COC(=O)CCc1cc2c(O)nc(O)nc2nc1-c1ccc(OC)cc1 587559759 NLKGHKITMSWYIB-UHFFFAOYSA-N 355.350 2.217 0 1 FEAF O=C(O)[C@@](F)(Cc1c(-c2ccccc2)nc2ccccn12)P(=O)(O)O 1772639778 XJPCDXSGCUVWJG-MRXNPFEDSA-N 364.269 2.472 0 1 FEAF N=C(N)c1ccc2[nH]c(C(=O)NCc3ccc(CCC(=O)O)cc3)cc2c1 13764922 MBTOWNMXVVXMOB-UHFFFAOYSA-N 364.405 2.399 0 1 FEAF CC(C)(C)C(=O)N1CCn2c(c(O)n([C@H]3C[C@@H]3c3ccccc3)c2=O)C1 169724940 SDYWGRHNCQRCKA-CABCVRRESA-N 355.438 2.472 0 1 FEAF Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccnc2)c(C)c1 201448794 RYIMZAHVZDMMKM-KRWDZBQOSA-N 359.451 2.490 0 3 FEAF CN(C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1)c1ccccc1 202670579 WSXNAGISKFQQLU-GZBFAFLISA-N 360.439 2.345 0 1 FEAF NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(Cl)cc2)cc1 601201 IYPAUZQRSAWCBH-UHFFFAOYSA-N 363.826 2.332 0 1 FEAF CC(C)(C)C(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Nc1nccc(C2CCCC2)n1 2356333305 PXBSHLIIKXGHDN-WCXIOVBPSA-N 374.485 2.243 0 1 FEAF COCCNC(=O)c1onc(CSc2cccc(C)c2)c1C(=O)O 8691353 APSKOBWNKWWNKL-UHFFFAOYSA-N 350.396 2.350 0 3 FEAF C/C=C1\[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O 100197338 BERYBAUEDCRDKM-WGWFWPLISA-N 350.418 2.313 0 1 FEAF in-vitro Cc1c(OCc2cccnc2)ccc2c(=O)nc(N3CCOCC3)oc12 64436451 ROBUSLZBFPYNBA-UHFFFAOYSA-N 353.378 2.307 0 1 FEAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCCC4)cc(Cl)nc32)C[C@@H]1O 27322161 VKAISMJLRZBFEC-KCQAQPDRSA-N 366.849 2.470 0 1 FEAF CN1C(=O)[C@@H]2C[C@]3(C)c4ccccc4N[C@H]3N2C(=O)[C@H]1Cc1ccccc1 2356517983 AORAAVFCUMFJME-JZZBYWGLSA-N 361.445 2.380 0 1 FEAF COc1ccc2c(c1)CN(C(=O)c1ccncc1)CC[C@@H]1COC(=O)N21 2356777193 OZRSOOSFVVEADS-OAHLLOKOSA-N 353.378 2.462 0 1 FEAF C[C@@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccncc3)c(=O)n21 82211291 NLVRZPZSSQMWNL-CQSZACIVSA-N 363.421 2.052 0 1 FEAF CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@H]4C5=Nc6ccccc6[C@@]51C[C@H]2N4[C@@H](C)[C@@H]3CO 238737025 XIMPCXFLDSKALH-ZBTJNCLQSA-N 352.434 2.045 0 1 FEAF O=C(NC1CCCC1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 253952971 VXVAXTVQJBEBRG-JEWRLFTDSA-N 358.463 2.089 0 3 FEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587230016 DSBYDUPLSBJDMX-KBPBESRZSA-N 370.453 2.484 0 1 FEAF COc1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2n1 587193538 LGBWHXGGJQGJEV-UHFFFAOYSA-N 354.410 2.486 0 1 FEAF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(Br)cc2[nH]1 586922540 VXSHFNDSZINYEM-UHFFFAOYSA-N 369.244 2.174 0 1 FEAF COc1ccc2c(c1)N(Cc1cn(Cc3ccccc3)nn1)C(=O)CO2 1772646508 BSSWKAGRHPHMKV-UHFFFAOYSA-N 350.378 2.261 0 1 FEAF O=C(CNC(=O)c1c[nH]c2nccc-2c1)NCCc1c[nH]c2ccccc12 1772623124 QQOKEMOSIMZYLJ-UHFFFAOYSA-N 361.405 2.085 0 1 FEAF CCc1cc(-c2cc([C@@H]3CCNC3)n3ncnc(N)c23)cc(F)c1CO 206417382 SRPGSKYQLDMWAK-GFCCVEGCSA-N 355.417 2.249 0 1 FEAF CC[C@]12CCCN3C[C@H](O)c4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]32 2356330996 TXHURIYMDHQMPV-HGWQEYRNSA-N 370.449 2.443 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@H]1[C@@H]2CC(=CCCCC(=O)O)O[C@@H]2C[C@H]1O 2356340453 PGRXDTJFXIPRSO-PVRJCICLSA-N 368.470 2.379 0 1 FEAF COc1ccc(Oc2ncc3ncc(=O)n(C[C@H]4CCCO4)c3n2)cc1 4238456 BJSNSNQRQJPNKQ-CQSZACIVSA-N 354.366 2.166 0 1 FEAF C[C@@H]1C(=O)N(C(=O)[C@H]2C[C@H]2C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 58569279 IGUJARIQHGSCCJ-ZAZJUGBXSA-N 356.422 2.427 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@@H]1C 2356427388 YGLWOPSYLJYZQF-GDOLHHRKSA-N 362.422 2.163 0 1 FEAF CN(C)CCCN1C(=O)C(=O)[C@@H](C(=O)c2cccs2)[C@H]1c1ccco1 100297978 ACDDETXCNPCMGK-HUUCEWRRSA-N 360.435 2.244 0 1 FEAF O=C(O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@H]1CC1(Cl)Cl 26578804 CIRFDBFEOGFGRQ-RYUDHWBXSA-N 374.220 2.068 0 1 FEAF COc1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3ccncc3)C(=O)O2)cc1 45484225 WMHJQZNDOYVBOS-PDANQNNMSA-N 369.373 2.009 0 1 FEAF CC(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3ccn(C)c3n2)C1 149228879 CCFCPZYFJYZMLZ-AWEZNQCLSA-N 350.426 2.453 0 1 FEAF O=C(O)c1ccnc(-n2ncc(CCO)c2OCc2ccc(F)cc2)c1 146699508 MAYCQAAYKTWJKJ-UHFFFAOYSA-N 357.341 2.218 0 1 FEAF CN1Cc2cc3c(cc2[C@@H]2[C@@H](O)Cc4cc5c(cc4[C@H]21)OCO5)OCO3 31495229 UBPAYYJTLBZPSD-VHKYSDTDSA-N 353.374 2.331 0 1 FEAF biogenic CC(=O)N1N=C(c2ccccc2)O[C@H]1C(=O)N(C)CCc1ccccc1 299852424 RXGHSJVJCLBOBF-FQEVSTJZSA-N 351.406 2.254 0 1 FEAF O=C([C@H]1COCCO1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656796 PDGJAZNOPUEHDX-MRXNPFEDSA-N 372.327 2.397 0 1 FEAF CCOC(=O)[C@@H](C)[C@]1(c2ccco2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962896236 LQSJCZYXPPFMSF-KOXAJKMWSA-N 361.369 2.460 0 1 FEAF CN1CCc2cc3c(cc2[C@H]1[C@H]1O[C@@H](O)c2c1ccc1c2OCO1)OCO3 5966935 YMHFBUOKLSWOQF-CMKODMSKSA-N 369.373 2.435 0 1 FEAF Cc1c(-c2ccc([C@H](C)[C@H](N)C(=O)N3CC[C@H](F)C3)cc2)ccc(=O)n1C 14947705 OTKDQMHQJPLTKJ-ROOHIHILSA-N 371.456 2.362 0 1 FEAF CCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 150338618 BJLOPVKFECOISX-LXGFNABISA-N 355.434 2.354 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@@H](NCc2ccc(F)cc2)C[C@H]1O 2356288766 KNQIJSUWMBVVED-LWYYNNOASA-N 371.456 2.183 0 1 FEAF O=C(C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1)c1ccccc1 25967626 HXTLHHVZELOINL-SFHVURJKSA-N 366.417 2.431 0 1 FEAF COC(=O)[C@H](C[C@H](OC)c1c(OC)cc(O)c2c(=O)cc(C)oc12)OC 2356577355 BKVHVYLMRZGKDR-KBPBESRZSA-N 366.366 2.081 0 1 FEAF NC(=O)c1cc(-c2ccccc2)cc(-c2cccc(S(N)(=O)=O)c2)c1N 28703779 QQEMQQIAVWZRQK-UHFFFAOYSA-N 367.430 2.349 0 1 FEAF CC(C)Oc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 115625522 BXNHQFKBOITDKH-UHFFFAOYSA-N 354.410 2.405 0 1 FEAF CCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1 1911578376 UGAQYDMHQFTUBE-UHFFFAOYSA-N 355.402 2.398 0 1 FEAF CCCCCCNC(=O)n1cc(N(C)Cc2ccccc2)c(=O)[nH]c1=O 95592136 BEKIUIYGGADQSJ-UHFFFAOYSA-N 358.442 2.311 0 1 FEAF Cc1noc([C@H]2CCCN(c3cncc4sc(C(N)=O)c(N)c34)C2)n1 621430359 QWSUPTLCOUNFCT-VIFPVBQESA-N 358.427 2.053 0 1 FEAF CC(/C=C/C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)=C\[C@H](C)CC(=O)O 299867321 QDUUNHXRESPFEU-PCOHSZIDSA-N 361.394 2.117 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2c1 587137050 QMHRDMJAQYBSCQ-UHFFFAOYSA-N 370.356 2.480 0 1 FEAF CN(CCNC(=O)c1cc2c(s1)CS(=O)(=O)C2)C1CCCCC1 5084203 LZXZAEYCAYQOHL-UHFFFAOYSA-N 356.513 2.171 0 1 FEAF CN=c1[nH]cc(C(=O)NCc2ccc(C)cc2)c2nc(-c3ccco3)nn12 1857656128 VZZVLIAOJYESIY-UHFFFAOYSA-N 362.393 2.086 0 1 FEAF Cn1c(=O)c2sccc2n2c(CCCC(=O)NC3CCCC3)nnc12 6817100 SWNSEOAZXIXVAH-UHFFFAOYSA-N 359.455 2.024 0 1 FEAF C[C@H]1Cc2ccccc2N1C(=O)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100291378 FCWGUNZWNNQXGH-GOYXDOSHSA-N 350.418 2.161 0 1 FEAF CS(=O)(=O)Nc1ccncc1-c1ccccc1O[C@H]1C[C@@H]2CNC[C@H]1C2 58540719 ORNGHPVNFVLRNV-LPMFXHHGSA-N 373.478 2.497 0 1 FEAF COC(=O)/N=c1\[nH]c2ccc(C(=O)c3cc(CC(=O)O)cs3)cc2[nH]1 27331054 XEOMNHSYWULZPF-UHFFFAOYSA-N 359.363 2.083 0 1 FEAF Nc1nc2c3c(F)cc(F)cc3nc(Cc3ccc4c(c3)OCO4)n2n1 116236566 ZPZPIJXUHQETIS-UHFFFAOYSA-N 355.304 2.457 0 1 FEAF CC1(C)C(=O)CC[C@]2(C)c3c(O)c4c(c(O)c3C(=O)C[C@H]12)C[C@@H](CO)O4 2356562284 SVWHWFYWEYBAAB-HYQGUANPSA-N 360.406 2.243 0 1 FEAF CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc(F)cc1 27306699 BZLNEMCQBXUFCZ-ZIAGYGMSSA-N 367.398 2.122 0 1 FEAF Cc1cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c(O)c1C(=O)O 2356846998 OSOPPDZKOZTJJK-UHFFFAOYSA-N 360.318 2.459 0 1 FEAF CN(C)CCOc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1 114347656 KGFMHDKKCFAVMD-UHFFFAOYSA-N 365.437 2.281 0 1 FEAF COc1ccc(CNC(=O)c2nc(-c3cccs3)[nH]c(=O)c2O)cc1 28820282 SXUQQWHUVLSKQV-UHFFFAOYSA-N 357.391 2.143 0 1 FEAF CCOC(=O)Cc1cc(O)n2nc(NCc3ccccc3Cl)nc2n1 21178406 QHFYLEXHIYJSHI-UHFFFAOYSA-N 361.789 2.201 0 1 FEAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)CN1CCCC[C@H]1C 2097002 ZPLMXWQEGZCBRV-AUUYWEPGSA-N 369.465 2.469 0 1 FEAF biogenic Oc1nncc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969402 KHNZTVMUDAUTFI-UHFFFAOYSA-N 370.350 2.130 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc2nncn2n1 587869880 QGFBVINXIYHSCH-UHFFFAOYSA-N 361.287 2.399 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCCC1=O 587869846 PEWNXBFJBAIEAP-UHFFFAOYSA-N 368.315 2.235 0 1 FEAF O=S(=O)(O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 587171088 JCMBKMTWQYSTFX-UHFFFAOYSA-N 364.354 2.406 0 1 FEAF CCCCn1c(=O)c2nc(CCCCC(=O)O)[nH]c2n(CCCC)c1=O 12405705 QNNXXJAOBPFTME-UHFFFAOYSA-N 364.446 2.284 0 1 FEAF O=C(Nc1ccc(OCc2cc(O)n3ncnc3n2)cc1)c1ccco1 15785793 DXRFFNITOUDEER-UHFFFAOYSA-N 351.322 2.254 0 1 FEAF C[C@@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@@H]2CCN(C)C[C@H]21 169373661 BVICSNQLCGMLKS-HUBLWGQQSA-N 362.499 2.053 0 1 FEAF O=C(CO)NCc1cnc2scc(-c3ccc(Br)cc3)n12 1857766905 ODDZMFUWKWSEOK-UHFFFAOYSA-N 366.240 2.434 0 1 FEAF COc1ccc(OC)c(CCn2cnc3sc4c(c3c2=O)CCNC4)c1 1857575281 CJNTWGXQXBLUGI-UHFFFAOYSA-N 371.462 2.364 0 1 FEAF CCC(=O)OC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC)C(C)C 2356326740 YYPQWZQXPTVJCT-BEFAXECRSA-N 359.470 2.392 0 1 FEAF C[C@@H]1O[C@]2(C[C@H](O)[C@@H]1C)O[C@@H]([C@H](C)C=CC=CC(=O)O)[C@H](C)[C@@H](O)[C@H]2C 2356327688 GYTVZXLCIFKWMV-DFPRGSQCSA-N 368.470 2.354 0 1 FEAF COc1ccccc1N1CCN(CCNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 100724891 XQGRZJQQNFCESY-OKZBNKHCSA-N 355.482 2.146 0 1 FEAF O=C1OC[C@H](Cc2cc3c(cc2O)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 2356530870 USDSELQVFVZGHP-KBPBESRZSA-N 370.357 2.424 0 1 FEAF OC[C@@H]1O[C@H](n2cnc3c(NC4CCCCC4)cc(Cl)nc32)C[C@@H]1O 27322173 VKAISMJLRZBFEC-YDHLFZDLSA-N 366.849 2.470 0 1 FEAF CC(=O)N1CCN(c2ccc(N3CCN(C(C)=O)[C@@H](C)C3)c(C)c2)[C@H](C)C1 199271940 MENJIUZSUPCMSV-DLBZAZTESA-N 372.513 2.109 0 3 FEAF CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCSC1 95563980 QPGQYBKAZOTPAZ-SNVBAGLBSA-N 365.484 2.030 0 1 FEAF CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)NC3CCCCC3)nc12 95587630 BYYQNUOIRWUFMS-UHFFFAOYSA-N 363.439 2.374 0 1 FEAF CC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 95668440 JQLMZEHDZHOBJD-NJDAHSKKSA-N 368.477 2.455 0 1 FEAF Oc1nc(O)c2ccc(C[C@@](O)(c3ccccc3)C(F)(F)F)nc2n1 587368324 GWUIHFMCFBTUHS-OAHLLOKOSA-N 351.284 2.429 0 1 FEAF NS(=O)(=O)c1ccc2[nH]c(C(=O)Nc3ccccc3Cl)nc2c1 587060887 VLCVEPBSKVUUML-UHFFFAOYSA-N 350.787 2.116 0 1 FEAF CC1=C(c2ccc3nc(-c4nc(Cl)cnc4N)[nH]c3c2)NNC(=O)C1 587086381 HZBWJZVJUIEDTK-UHFFFAOYSA-N 355.789 2.011 0 1 FEAF NC(=O)c1cccc2[nH]c(C(=O)N[C@@H]3CCCN(C4CCCCC4)C3)nc12 1772618033 WJBPKBJEOKGJNO-CYBMUJFWSA-N 369.469 2.189 0 1 FEAF COc1nc(N2CCCCC2)c2nc(OC)nc(N3CCCCC3)c2n1 13583325 XFFJZOCYGNJSDA-UHFFFAOYSA-N 358.446 2.418 0 1 FEAF N[C@@H](CC(=O)N1CCc2c(n[nH]c2C2CC2)C1)Cc1cc(F)ccc1F 14948978 WEALCGSKAOFUDP-CQSZACIVSA-N 360.408 2.410 0 1 FEAF NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3 168267132 SIJATVAZXUYZQN-VOQZNFBZSA-N 370.493 2.465 0 1 FEAF O=C(CNS(=O)(=O)c1cccs1)N[C@H]1CCCc2ccccc21 3894747 AWIQMUXYUUYZRP-AWEZNQCLSA-N 350.465 2.220 0 1 FEAF O=C(NCCN1CCCCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 4101306 DTNVLXGFABWGAE-IBGZPJMESA-N 357.498 2.070 0 3 FEAF CC(C)CN1CCC[C@H]1c1nc(C2=C[C](N3CCOCC3)NC=C2)no1 2356831749 IGPHKMVLSZJFBB-INIZCTEOSA-N 358.466 2.184 0 1 FEAF O=C(NCc1ccco1)C1=CN2CCN(Cc3ccccc3)C(=O)N=C2O1 74380287 JIMRIUVHCPPTLZ-UHFFFAOYSA-N 366.377 2.061 0 3 FEAF O=C1CCc2cc(/C=C/C(=O)N3CC(OCc4cccs4)C3)cnc2N1 72315124 QATPMNXCDSKNPZ-ZZXKWVIFSA-N 369.446 2.469 0 1 FEAF COc1cc2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2cc1OC 40916954 IGMMYRUSZZPASI-UHFFFAOYSA-N 368.393 2.202 0 1 FEAF C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@](C)([C@@H]23)[C@@]12CC[C@]1(COC(=O)C1)O2 238766201 IKNNBDGBGVLCJD-LMKLAQKLSA-N 362.422 2.178 0 1 FEAF COc1nn(-c2ccccc2)c2cc(N3CCN(C4CNC4)CC3)ccc12 147359317 YKSRWTREKFYHTD-UHFFFAOYSA-N 363.465 2.128 0 1 FEAF CCCN(C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)NC(C)C 95895691 CACWLYYLTOIJRH-GBESFXJTSA-N 361.486 2.192 0 1 FEAF C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@]1(O)C[C@H]1OC(=O)C3=CC=C[C@H]2[C@]31C 85692927 IGIPLDOVXHPNGC-TYWUSVEKSA-N 356.374 2.453 0 1 FEAF biogenic CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(C)C=C1C(=O)OCC 587483841 DWXDOTJNVPSHNQ-HXUWFJFHSA-N 373.405 2.358 0 1 FEAF CCOC(=O)c1ccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 586930074 OLLPHGZWJATZAF-UHFFFAOYSA-N 373.434 2.172 0 1 FEAF CCOC(=O)[C@H](F)[C@]1(CC)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228976 PINIRZXLOWXEJG-JTDSTZFVSA-N 360.385 2.340 0 1 FEAF COc1ccc(CCNc2nc(CC(N)=O)nc3ccccc23)cc1OC 1772647423 IQRUJTCHAGTJBS-UHFFFAOYSA-N 366.421 2.329 0 1 FEAF COc1cc2c3c(cc(Cl)nc3c1OC)[C@@](O)(CC(C)=O)C(=O)N2 5855266 BOJWAVXWRPVRMJ-INIZCTEOSA-N 350.758 2.024 0 1 FEAF Cc1ccc2c(c1)CN(CCNC(=O)CCc1cnccn1)C[C@@H](C)O2 11841696 CSIUXXQWWHZOOV-MRXNPFEDSA-N 354.454 2.117 0 1 FEAF CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O[C@@H](C)[C@H](C)O 13885311 NDZDJUSQBJHCBF-RYUDHWBXSA-N 357.882 2.142 0 1 FEAF O=C(Nc1cccc2c1C(=O)NC2=O)c1cccc(-n2c(O)ccc2O)c1 169690711 WWGMBEPALVUVHB-UHFFFAOYSA-N 363.329 2.024 0 1 FEAF COCCCN1C[C@H]2C(CNC(=O)c3cccc4cc(C(C)C)nn34)[C@@H]2C1 1857640885 ILSMRXOPLLAUJB-ROUUACIJSA-N 370.497 2.402 0 1 FEAF NC(=O)c1sc(N2CCOCC2)cc1OCCc1ccccc1F 1857755023 FZJQHXPNGLMMAP-UHFFFAOYSA-N 350.415 2.444 0 1 FEAF Cc1nc(N(CCO)CCO)c2sc(=S)n(-c3ccccc3)c2n1 1633230 BMDMTDOMLKOEJL-UHFFFAOYSA-N 362.480 2.311 0 1 FEAF COC(=O)[C@]1(CO)C[C@@]23CCCN4CC[C@]5(c6ccccc6N[C@]51CC2)[C@@H]43 2356390824 DMLOCDNIVNQNJZ-SSXICUSMSA-N 368.477 2.292 0 1 FEAF Cc1ccc(CCNC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)cc1 4792848 GZAJKLCEBHVLMV-UHFFFAOYSA-N 371.462 2.199 0 1 FEAF COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)n2nc(C)cc2C)cc1 6471994 MLDTWHQDVJCCLT-INIZCTEOSA-N 363.439 2.002 0 3 FEAF COc1ccc2nc(CO[C@@H]3CN(Cc4cnn(C)c4)C[C@H]3F)[nH]c2c1 2356299205 BOGLXTQMPNJJJX-RHSMWYFYSA-N 359.405 2.044 0 1 FEAF Cc1cc(C(F)(F)P(=O)(O)O)cc(C(F)(F)P(=O)(O)O)c1 27617566 TUJSXBBTDAENOW-UHFFFAOYSA-N 352.113 2.449 0 1 FEAF Cc1cn(-c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cn2)cn1 115627577 QJJVSEFJGLJCDI-UHFFFAOYSA-N 373.420 2.459 0 1 FEAF COc1ccc([C@@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)cc1 28468645 KECQJHWYDSLEDP-FUHWJXTLSA-N 358.394 2.131 0 1 FEAF CCNC(=O)NC[C@@H]1C=C(C)[C@@H](CC(=O)N2CCOCC2)C[C@H]1C(C)C 2356715469 XUQOSKSVVMBXKU-SQNIBIBYSA-N 365.518 2.409 0 1 FEAF N[C@]1(C(=O)O)C[C@H](C(=O)O)N(CCC(c2ccccc2)c2ccccc2)C1 26157838 DNDRXYBPJFRQLZ-WIYYLYMNSA-N 368.433 2.150 0 1 FEAF Cc1ccc(S(=O)(=O)Oc2ccc(C3=NO[C@H]4CN(C)C[C@H]34)cc2)cc1 73167862 WGUDHIHKQGIMPM-ROUUACIJSA-N 372.446 2.427 0 1 FEAF O=C(O)[C@@H]1CCCN1C(=O)C[P@@](=O)(O)CCCCc1ccccc1 36222663 OVVFJXPYMIMYNK-HNNXBMFYSA-N 353.355 2.355 0 1 FEAF OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)C[C@H]1O 40690212 QHUNSJYFZSECMJ-MBNYWOFBSA-N 352.822 2.080 0 1 FEAF COc1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3cccnc3)C(=O)O2)cc1 40394480 YNVMEESJFVULDO-ZYEUVFMNSA-N 369.373 2.009 0 1 FEAF CC1(C)C(=O)CC[C@]2(C)c3c(O)c4c(c(O)c3C(=O)C[C@H]12)C[C@H](CO)O4 198494559 SVWHWFYWEYBAAB-PHFRFRENSA-N 360.406 2.243 0 1 FEAF O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 95894627 ASBISCBCTXZQKG-SLFFLAALSA-N 362.429 2.412 0 1 FEAF CN1CCC[C@@H]1C(=O)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1 95577232 USLJYMUSNAVLMJ-MRXNPFEDSA-N 352.442 2.170 0 1 FEAF O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CC(F)(F)C1 146310986 NGSODJAZTGFJCP-UHFFFAOYSA-N 359.323 2.417 0 1 FEAF O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3cccs3)CO[C@@H]12 25212076 KUJSCNAHRTXGHE-XNISGKROSA-N 374.418 2.261 0 1 FEAF biogenic CCCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 253690232 STRMKLVHDMFVTN-XEDIEYJHSA-N 355.434 2.226 0 1 FEAF O=C(N[C@@H](Cc1nc2cccc(O)c2[nH]1)C(=O)O)OCc1ccccc1 587204440 YQWZZOUGSYCWRI-ZDUSSCGKSA-N 355.350 2.191 0 1 FEAF CCOC(=O)[C@]1(c2ccc(OC)nc2)CC(=O)c2cc(C)cc(N)c2O1 587393730 KSHRBNFBHRHZBY-LJQANCHMSA-N 356.378 2.405 0 1 FEAF Fc1ccc(Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)cc1 19335031 JYUWYMRQYDRUPM-UHFFFAOYSA-N 353.401 2.360 0 3 FEAF CNC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(C)(C)C 207334098 JEQSZUURBJZGKO-OAHLLOKOSA-N 360.458 2.033 0 1 FEAF CN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 6725236 PZZSKKKPOYHBAF-SJORKVTESA-N 357.479 2.336 0 1 FEAF COc1ccccc1OC[C@H](O)CNC(=O)Oc1ccc(NC(C)=O)cc1 27323341 QHXRSRWZDNLOGQ-OAHLLOKOSA-N 374.393 2.182 0 1 FEAF Cc1ccc2nc(CO[C@@H]3CN(C(=O)C4CCOCC4)C[C@@H]3F)[nH]c2c1 2356300408 WDHKGJIJAZNORV-WMLDXEAASA-N 361.417 2.363 0 1 FEAF CC(=O)OCC1=CC[C@H](OC(C)=O)[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 2356627040 UKBRLNIJFHFROM-FPQFGWEOSA-N 350.411 2.405 0 1 FEAF O=C(/N=c1/[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1)NCCCCO 84688661 OKORFLOXJGGALE-UHFFFAOYSA-N 352.394 2.110 0 1 FEAF C/C=C(/C)C(=O)O[C@@]1(C)C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H]3O[C@H]3[C@H]3O[C@@]3(C)[C@@H]21 238761330 OOARHBMNFRVYDL-BARUJICDSA-N 362.422 2.151 0 1 FEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCS(=O)(=O)C2 587614677 UJAJOWLWSJLCFU-YJBOKZPZSA-N 360.387 2.301 0 1 FEAF Cc1ccnc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc12 587135628 KJUWEXFAFNCLOA-UHFFFAOYSA-N 356.329 2.162 0 1 FEAF COc1ncnc(N)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573466 BYDXTRUYHOPHTC-DYVFJYSZSA-N 365.345 2.476 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H]([C@@H](C)N)C3)c(F)c21 13886251 NNKUFWFIUGLYIV-ZJUUUORDSA-N 365.380 2.171 0 1 FEAF Cc1ccccc1Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 169322252 JZTJUDXHTRMLEL-HNNXBMFYSA-N 363.373 2.140 0 1 FEAF CC(C)c1cn2cccc(C(=O)NCC3[C@@H]4CN(CC(C)(C)O)C[C@@H]34)c2n1 1857754052 CPIDTJZSHBCIDB-IRXDYDNUSA-N 370.497 2.136 0 1 FEAF O=C(Cc1ccccc1Cl)NCCNC[C@H](O)COc1ccccc1 28263491 PEFMYPBIKFUWCE-INIZCTEOSA-N 362.857 2.028 0 1 FEAF CN(C)C[C@@H]1O[C@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@H]1O 2356691537 NXQGYHSPCDAGKY-TYPHKJRUSA-N 373.497 2.319 0 1 FEAF CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 45368451 HMBJOTJZPOLPTO-UHOFOFEASA-N 351.878 2.321 0 1 FEAF COc1cc([C@@H]2O[C@H](c3ccc(O)c(OC)c3)[C@@]3(O)COC[C@@H]23)ccc1O 14444464 BQVYHVVERMVPBC-YGHPHNMRSA-N 374.389 2.305 0 1 FEAF biogenic Nc1ccccc1CNC(=O)CNC(=O)c1csc(-c2ccccc2)n1 82071882 VKSGKWILBCEWKX-UHFFFAOYSA-N 366.446 2.439 0 1 FEAF CCN(C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)NC1CCCC1 95895900 HWKRYOWXXXZXJP-UFYCRDLUSA-N 373.497 2.336 0 1 FEAF Cc1cc2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc2c(C)n1 586931982 RECJNXZNQWDFFP-UHFFFAOYSA-N 360.439 2.404 0 1 FEAF N[C@@H](Cc1c[nH]cn1)C(=O)CSc1c(F)c(F)c(F)c(F)c1F 169321751 QIWZQEJOMWCYHK-LURJTMIESA-N 351.300 2.336 0 1 FEAF Cc1cc2nc(O)[nH]c2cc1-c1ccc(F)c2c(=N)c(C(N)=O)c[nH]c12 1857603972 BIQSTLATYRVKPH-UHFFFAOYSA-N 351.341 2.443 0 1 FEAF Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)n3ccnc3)cc2)cc1 6173456 JOJVYLAUXCBVBV-UHFFFAOYSA-N 355.419 2.359 0 1 FEAF COc1cc(NC(=O)[C@@]2(C)CCN2C(=O)C(C)C)cc(OC)c1OC 61906158 VUMJXRHAJPETGI-GOSISDBHSA-N 350.415 2.298 0 3 FEAF O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1ccc2c(c1)OCCO2 113894466 AJUGSLXCFBLQHE-INIZCTEOSA-N 350.334 2.132 0 1 FEAF S=C(NCCCNc1ccnc2cc(Cl)ccc12)N1CCNCC1 64436871 AYJMJMXDTYJXLZ-UHFFFAOYSA-N 363.918 2.470 0 1 FEAF COc1ccc2[nH]cc(-c3ccnc(NCCN4CCOCC4)n3)c2c1 72109359 VILDFORHSQQFIZ-UHFFFAOYSA-N 353.426 2.378 0 1 FEAF CC(=O)c1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 49112872 NUQUWKXNHFMEAJ-UHFFFAOYSA-N 362.393 2.021 0 1 FEAF CC1=C2C[C@@H](O)C=C3C(=O)OC[C@@]32C=CC2=C1[C@H](c1ccoc1)OC2=O 85843913 OHRYPZSDRFBQMN-GIJMVEMTSA-N 352.342 2.295 0 1 FEAF COc1cc(C[C@@H]2[C@@H](Cc3ccc4c(c3)OCO4)CO[C@H]2O)ccc1O 238768941 GTIWICQLBSBHFL-BXTJHSDWSA-N 358.390 2.496 0 1 FEAF COC(=O)[C@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587809147 QXBQCAWRTWQJNA-ANRSDYALSA-N 358.207 2.470 0 1 FEAF CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587649553 PULRCMNOMLQHCM-UHFFFAOYSA-N 363.313 2.336 0 1 FEAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(O)nc(S)nc2[nH]1 587038502 JVEXVNPOCXWBQE-UHFFFAOYSA-N 367.416 2.213 0 1 FEAF O=C(O)[C@@H](O)[C@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586889637 MJDFAQLPNFRHMC-KBPBESRZSA-N 355.375 2.319 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)CCC2=O)N1 587757703 BFGCVEJRZBZPRX-XXFAHNHDSA-N 369.234 2.487 0 1 FEAF CCS(=O)(=O)c1ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 587092505 QEHUVAYUBQTQBK-MRVPVSSYSA-N 363.361 2.486 0 1 FEAF COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(F)cc3)C(=O)C[C@H]12 206393332 SYVCWYHXKFSVIV-HNNXBMFYSA-N 368.364 2.440 0 3 FEAF O=C(O)[C@@H](Cc1ccccc1)N1C(=O)N/C(=C\c2ccc(F)cc2)C1=O 1619981 XFRSTFFUQQIQMO-DDITZMBXSA-N 354.337 2.414 0 1 FEAF O=C(O)CCCCCC[C@@H]1C(=O)C[C@H](O)[C@H]1C=C[C@H](O)CCCCCO 2356340272 LDUBDFDZFOQXGF-DFEOGRTESA-N 370.486 2.448 0 1 FEAF CSc1nc2ccccn2/c(=N\C(C)=O)c1S(=O)(=O)c1ccccc1 103268184 FJBVNHBVNXHVJN-VLGSPTGOSA-N 373.459 2.336 0 1 FEAF COCCNC(=O)c1cn(Cc2cc(F)cnc2OC)c2cccnc12 103248985 PHTHTISIMZTDDM-UHFFFAOYSA-N 358.373 2.004 0 1 FEAF C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(N)nc12 29128758 VNGOAGLZSGVQHX-SSDOTTSWSA-N 366.397 2.298 0 1 FEAF CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(F)c1 114345459 XQZHZCUJORPEOS-MRXNPFEDSA-N 369.400 2.249 0 1 FEAF C[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H](Cn4c(=O)[nH]c5c(=O)[nH]cnc54)[C@@]13CC2(C)C 40861428 BHCRQXWMNOFEEK-BWZXQIPNSA-N 370.453 2.081 0 1 FEAF O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2C[C@H]2[C@H]1C2(Cl)Cl 195479052 GSRVKLGURKHDPG-ZDEQEGDKSA-N 350.205 2.276 0 1 FEAF NC(=O)c1cnc(N[C@H]2CCCNC2)n2cc(-c3ccc(Cl)cc3)nc12 96906589 FSAPFCGPSJQNNW-ZDUSSCGKSA-N 370.844 2.313 0 1 FEAF COC(=O)c1ccnc2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc12 587035319 RTNIRAQOVCPTLT-UHFFFAOYSA-N 356.407 2.225 0 1 FEAF O=C1C[C@H](c2ccco2)[C@@H](n2cncn2)[C@]2(C1)NCCc1ccc(O)cc12 963339705 AUOKPIRBAXKNJP-NSISKUIASA-N 364.405 2.306 0 1 FEAF COc1ccc(S(=O)(=O)N2CC=C(C(=O)NC3CCCC3)CC2)cc1 5068951 LYPXTFALQFHYQA-UHFFFAOYSA-N 364.467 2.075 0 3 FEAF O=C1CC[C@H](C(=O)N2CCC(O)CC2)CN1CCc1ccc(Cl)cc1 12385243 GYJZGHLEBABCBQ-HNNXBMFYSA-N 364.873 2.104 0 3 FEAF OC1CCN(Cc2cccc(OC[C@@H](O)CN3CCCCCC3)c2)CC1 12713701 LAOXGPQRZAYZSJ-FQEVSTJZSA-N 362.514 2.259 0 1 FEAF CNCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 13522316 YKMOJVPLIUXEIP-SVBQBFEESA-N 367.493 2.455 0 1 FEAF in-vivo CCSc1cc(=O)c2c(O)cc(O)c([C@H]3CCN(C)C[C@H]3O)c2o1 13834660 MXQMYWXBECXGHZ-TVQRCGJNSA-N 351.424 2.096 0 1 FEAF O=C1OC[C@@H]([C@@H](O)c2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 14637215 NHMODCAASJDQKF-LPMFXHHGSA-N 370.357 2.209 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H]2OC(=CCCCC(=O)O)C[C@H]12 2356340450 PGRXDTJFXIPRSO-IQBITKQYSA-N 368.470 2.379 0 1 FEAF O=C(O)CCC[C@H](O)C=CC=CC=CC=C[C@H](O)[C@H](O)CCCCCO 2356344130 ZOMUODAIBQTYLE-CEXWTWQISA-N 368.470 2.102 0 1 FEAF Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)cc1)C1=C(O)CCCC1=N2 100703188 QYDLRFVNIHNQSH-AWEZNQCLSA-N 353.378 2.004 0 1 FEAF CCCCN1C[C@@H]2CC(NC(=O)c3nn(C)c4ccccc34)C[C@H](C1)N2C 26472486 VNJFPIYCOWKOMT-ALOPSCKCSA-N 369.513 2.250 0 1 FEAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@](CO)(C(=O)OC)[C@H]1CC2 2356512953 MBXJCHZRHROMQA-LAUBAEHRSA-N 354.450 2.395 0 1 FEAF Cc1ccc2c(NC(=O)[C@@H](C)O)c(O)c3c(c2n1)C=C[C@@]1(C)C=CC(=O)N31 2356792257 JMWGAVNXQRWSGS-GIPWTMENSA-N 365.389 2.256 0 1 FEAF CO[C@H]1c2ccc(-c3ccc4c(c3)O[C@H](CO)[C@@H]4CO)cc2O[C@H]1OC 14695347 XUAGYARHMDGNBA-GEALJGNFSA-N 358.390 2.235 0 1 FEAF biogenic C/C=C(/C)C(=O)O[C@H]1[C@@]2(C)[C@H](CC[C@H](O)[C@@H]2C)C[C@]23OC(=O)[C@@H](C)[C@]12O3 85642925 FYNKIYMILKEXOG-SWSDIWLWSA-N 364.438 2.340 0 1 FEAF biogenic CN(C)CCCCOC(=O)CNC(=O)c1csc(-c2ccccc2)n1 82072229 VAMZAVMWBSWSQS-UHFFFAOYSA-N 361.467 2.425 0 1 FEAF O=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CCC1 95567238 UIWMPEMTOGIUIE-HKBOAZHASA-N 365.477 2.327 0 1 FEAF COc1ccc(C[C@@H]2CCn3cc(nn3)COC[C@@H](C(C)C)NC2=O)cc1 95898406 BUJNRAADAGIHRJ-LPHOPBHVSA-N 372.469 2.207 0 1 FEAF COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 238768546 VGDQBNXQAOYMPS-WMGNYKOYSA-N 354.450 2.226 0 1 FEAF O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 95794379 QRFKRUIRGRQJJP-UXHICEINSA-N 363.461 2.147 0 1 FEAF C[C@@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 238757148 DLRAPJNZWMSBAN-SZBDGJFISA-N 352.471 2.425 0 1 FEAF CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccccc2Cl)nc1O 299816929 ZCAIISHYJYRITH-UHFFFAOYSA-N 370.840 2.219 0 1 FEAF CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2CC[C@@](C)(O)C2)n1 653679376 LXHIXLMMWQDNTH-QGZVFWFLSA-N 365.384 2.246 0 1 FEAF O=C([C@H]1COCCO1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659983 LRKGYNPMJINNFB-MRXNPFEDSA-N 354.337 2.258 0 1 FEAF CN(C)S(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)o1 586930431 DHPARPLOTZTMAF-UHFFFAOYSA-N 371.321 2.395 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1cccc(N4CCOCC4)n1)[C@@H](C2)C3=O 587445356 VWEYYCZZYOCBLJ-VBKZILBWSA-N 352.390 2.416 0 1 FEAF COC(=O)c1cc2[nH]c(CS(=O)(=O)C3CCCC3)nc2cc1OC 586924699 UHGIROZYHHGFTM-UHFFFAOYSA-N 352.412 2.216 0 1 FEAF CCOC(=O)c1ccc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2c1 587259787 INKOAMNHIRVDOY-AWEZNQCLSA-N 352.394 2.081 0 1 FEAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1 586939120 NBWPJXGHOOJFFH-NSHDSACASA-N 372.450 2.406 0 1 FEAF Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3ccccc3)C2)n1 12430690 LHALWYGZHNJCRP-KRWDZBQOSA-N 354.454 2.158 0 3 FEAF COc1ccc(Cl)cc1-c1ccc2c(c1)C(=O)N1CCNC[C@H]1C(=O)N2 12604951 UEKIQMDWFSANHS-INIZCTEOSA-N 371.824 2.382 0 1 FEAF biogenic CCCc1[nH]c([C@@H]2Cc3ccccc3N2C(=O)CN)nc1C(=O)OCC 13971956 CBUSAPHLBOXJFK-HNNXBMFYSA-N 356.426 2.128 0 1 FEAF CC[C@@]12CC(C(=O)OC)=C3Nc4cc(O)ccc4[C@]34CCN(C[C@@H]3O[C@@H]31)[C@H]42 14719367 HILHZMSRHLWRBI-QBRMMOJRSA-N 368.433 2.138 0 1 FEAF biogenic,in-vitro Cc1ccccc1CN1CCN(c2cnnc(O)c2C(F)(F)F)CC1=O 1857544503 SITBYORMKVGZGI-UHFFFAOYSA-N 366.343 2.358 0 1 FEAF CCC(=O)NC[C@@H]1O[C@@H](Cc2cc(COc3ccccc3)on2)CC[C@@H]1O 2356308469 VJILIXNQHXNIFU-NEWSRXKRSA-N 374.437 2.231 0 1 FEAF NC(=O)c1cc(-c2ccccc2)cc(-c2ccc(S(N)(=O)=O)cc2)c1N 28703777 IVJPEEHVYKDQEO-UHFFFAOYSA-N 367.430 2.349 0 1 FEAF in-vitro COc1ccc2c(c1)S(=O)(=O)N(C)C(C(=O)Nc1ccccc1)=C2O 28093943 WDIXNAQCMUOGLE-UHFFFAOYSA-N 360.391 2.195 0 1 FEAF C[C@H](Cc1nc(-c2ccc(O)cn2)no1)C(=O)NC1=C(C(=O)O)CCCC1 34853412 QYBCKBVSSSDGAB-SNVBAGLBSA-N 372.381 2.045 0 1 FEAF CN1CCC[C@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1 45366423 MUALPBWISBWOSS-KRWDZBQOSA-N 363.421 2.157 0 1 FEAF COCC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1 142775777 MXVVBRZMVBIGQJ-UHFFFAOYSA-N 360.845 2.400 0 1 FEAF COC1CCC2(CC1)Cc1ccc(C#N)cc1[C@@]21N=C(N)N(C(C)C)C1=O 140702518 HXYCKOWFLDTBJS-LFNLJPBCSA-N 366.465 2.450 0 1 FEAF CC1=C2C[C@H](O)C=C3C(=O)OC[C@@]32C=CC2=C1[C@H](c1ccoc1)OC2=O 85843909 OHRYPZSDRFBQMN-CYFODOTGSA-N 352.342 2.295 0 1 FEAF biogenic CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@]5(CC[C@@H]12)CC(=O)O[C@]453 85948039 GVFCLBCTHLIFGT-UMSONDCASA-N 368.433 2.288 0 1 FEAF biogenic COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(O)nc(O)n1 587867785 BAFRYEJRSIUJHI-UHFFFAOYSA-N 353.260 2.163 0 1 FEAF Cc1nc(N(C)C)ncc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587195116 RCXBGHUWEQLXNG-UHFFFAOYSA-N 352.442 2.227 0 1 FEAF COc1cc(OC)c2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c2c1 586931445 UILANFDBERDCAZ-UHFFFAOYSA-N 351.384 2.090 0 1 FEAF COc1c(F)ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1N 587133612 WDYOIVXGEDVOIM-UHFFFAOYSA-N 364.402 2.210 0 1 FEAF COc1cncc2nc(-c3nccnc3I)[nH]c12 587186374 JRKQJCXJYDCKQO-UHFFFAOYSA-N 353.123 2.028 0 1 FEAF CCOC(=O)C[C@]1(c2cnccn2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963605649 GUCMFJPUAABUJH-ZUOKHONESA-N 371.437 2.225 0 1 FEAF CN1C(=O)C[C@@H]2CN[C@@H](c3c(Br)ncn3C)c3cccc1c32 963034241 QXGVMFAXQRDMEC-YMTOWFKASA-N 361.243 2.325 0 1 FEAF O=C(O)C[C@@H](N=c1nc(-c2ccncc2)[nH]c2cnccc12)C(F)(F)F 1857581541 QFNNCKXRUFCTPO-GFCCVEGCSA-N 363.299 2.326 0 1 FEAF CC(C)OC(=O)c1c(NC(=S)N2CCNCC2)sc2c1CCC2 1857616257 JOTUPCJOMOHWRL-UHFFFAOYSA-N 353.513 2.404 0 1 FEAF Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 1543774 FBGWHCFPQBQYNU-UHFFFAOYSA-N 366.373 2.129 0 1 FEAF CC(=O)N1CCC(N2C[C@@H](F)[C@H](OCc3nc4ccccc4o3)C2)CC1 2356367862 JIAOQPNLCIXOKU-CRAIPNDOSA-N 361.417 2.378 0 1 FEAF CCc1ccc(C2=NN(CCC(=O)NC[C@H]3CCCO3)C(=O)CC2)cc1 4668353 OEXFDXKHYXOYJJ-QGZVFWFLSA-N 357.454 2.261 0 3 FEAF COCCN1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O 59287550 ZBCZFSVWOARNIF-UHFFFAOYSA-N 364.751 2.290 0 1 FEAF CN1C[C@@H](N(C)C)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356302596 ZUFLRAWCIAKUSH-PBHICJAKSA-N 367.440 2.160 0 1 FEAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1[nH]cnc1Cl 103174939 LDEOVAHHWDPYJE-UHFFFAOYSA-N 353.806 2.424 0 1 FEAF CC(C)C[C@@H](N)C(=O)N[C@@H](C12CC3CC(CC(C3)C1)C2)P(=O)(O)O 26291824 MWQREKPOGRYXBG-FOUOPYPESA-N 358.419 2.196 0 1 FEAF O=C(/C=C/c1ccc(O)cc1)NCC(=O)NCCc1c[nH]c2ccccc12 28709812 PKULDARFHAKWSZ-JXMROGBWSA-N 363.417 2.362 0 1 FEAF COC(=CC(=O)O)[C@@H]1c2cc3cccc(O)c3c(O)c2C(=O)C[C@]1(C)O 2356465338 OBCPKCVHPDMGIX-HKUYNNGSSA-N 358.346 2.287 0 1 FEAF CC=C(C)C(=O)O[C@@H]1[C@@H]2[C@H](C[C@H](C)[C@@H]3[C@H](O)CC(=O)[C@@]31C)OC(=O)[C@@H]2C 2356759071 GLHMGBSDKSSHQL-VFQVWWCFSA-N 364.438 2.038 0 1 FEAF C[C@@H](O)CC[C@@H](C)O[C@@]1(c2ccccc2)O[C@@H]2C[C@@H](O)[C@@H](C)O[C@@H]2O1 36386589 WWMQSNWZYMIALE-COIWNWHVSA-N 352.427 2.274 0 3 FEAF NC(=O)C1=NO[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 40916771 QXRKNXUKJQKFLK-HXUWFJFHSA-N 364.449 2.312 0 1 FEAF CN(C)C(=O)c1cccc(Nc2c(N(C)c3ccccc3)c(=O)c2=O)c1O 137841972 YIXNUGMWWDBYSK-UHFFFAOYSA-N 365.389 2.202 0 1 FEAF COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(N)c2cc1OC 82131864 NIYRTOYVAVGXTD-OAHLLOKOSA-N 354.410 2.399 0 1 FEAF Cc1ccccc1-c1nc(C(=O)NCC(=O)OC[C@H]2CCCN2C)co1 82072306 WYMCAVDAAWFJAX-CQSZACIVSA-N 357.410 2.017 0 1 FEAF CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 95875160 SIXKQJSUWIYCRJ-BBWFWOEESA-N 367.287 2.220 0 1 FEAF N[C@@H](Cc1ccc(I)cc1)c1nc2cnncc2[nH]1 587186533 XGTQTNNNJSVCKF-JTQLQIEISA-N 365.178 2.200 0 1 FEAF COC(=O)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594855 PMBVWLOYGUXCFU-DNVCBOLYSA-N 356.330 2.245 0 1 FEAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cnc(Cl)[nH]c-2n1 587193886 HULZKVPSJXJGMZ-SECBINFHSA-N 354.842 2.475 0 1 FEAF CC(=O)N[C@H](Cc1nc2ncc[nH]c-2n1)c1ccc(Br)cc1 586984999 KFOGDTHXEWNDAL-GFCCVEGCSA-N 360.215 2.487 0 1 FEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 587226550 ZWEUUFLFKIBZIS-DIFFPNOSSA-N 353.382 2.370 0 1 FEAF COCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 587584607 ZHNBJDWABXSQKW-CRAIPNDOSA-N 353.334 2.291 0 1 FEAF COc1cc2c3c(c1)O[C@@](CO)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587454861 YZEQMUNACYLYSC-XOBRGWDASA-N 354.358 2.102 0 1 FEAF CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O 212662186 KOTFNQQYSJQUKY-MOPGFXCFSA-N 352.434 2.447 0 1 FEAF Nc1ncnc2c1ncn2CCOC[P@]1(=O)Nc2ccccc2CO1 13677718 RELNQNWDRHOCQJ-RUZDIDTESA-N 360.314 2.218 0 1 FEAF O=C(O)Cc1nn(Cc2nc3cccnc3s2)c(=O)c2ccccc12 13860787 ALGOKUNLOGYVHW-UHFFFAOYSA-N 352.375 2.077 0 1 FEAF CN1CCN(c2ncc3c(n2)CCN(Cc2cccc(F)c2F)C3)CC1 15779394 AJOCYVIKZHZKEP-UHFFFAOYSA-N 359.424 2.065 0 1 FEAF CN1CCN(c2nccc(CN(C)[C@H]3CCCc4cccnc43)n2)CC1 1857762766 SHYOPKGHEZXRKO-SFHVURJKSA-N 352.486 2.133 0 1 FEAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@](O)(C(=O)CO)CC[C@]12O 2356315326 NTTRGAIOMZIGLW-NHYAMBSLSA-N 364.482 2.006 0 1 FEAF COc1ccc(-c2nc3c(c(=O)[nH]2)[C@H]2CCN(C(C)=O)C[C@H]2S3)cc1 28524433 QESYRUAZGKRFRG-UONOGXRCSA-N 357.435 2.256 0 1 FEAF CC(=O)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(CCO)C1=O 26157384 ORKVWPMCEGNPCS-SFHVURJKSA-N 372.808 2.406 0 1 FEAF Cn1c2c(c(=O)n3nc(-c4ccco4)cc13)CN(Cc1ccccc1)C2=O 29127610 TUXLFXNSANUBNQ-UHFFFAOYSA-N 360.373 2.449 0 1 FEAF COc1cc(Cl)nc(NC(=S)NC(=O)c2ccc(Cl)nc2)n1 28566202 CIQMHEMPWBQHGC-UHFFFAOYSA-N 358.210 2.314 0 1 FEAF CC[C@H](C)[C@H]1CNC(=O)C(=O)N1CC1CCN(CCc2ccccc2)CC1 61936124 GAXZRMCHRRKKJF-FXAWDEMLSA-N 371.525 2.314 0 3 FEAF C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356433374 ICLJUDISOCRJDM-KDGQKWOBSA-N 352.515 2.473 0 1 FEAF C[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O)[C@H]1CCC1=C[C@](C)([C@H](O)CO)CC[C@@H]12 2356667260 UWBQESXNYLGFQE-AZFOIECZSA-N 352.471 2.344 0 1 FEAF CN(C)C[C@@H](O)Cn1c2cc(=O)c(=O)cc-2sc2ccc(Cl)cc21 39207014 REEBVIZJIHXSIU-LLVKDONJSA-N 364.854 2.104 0 1 FEAF COc1cccc(N2C(=O)[C@H]3CN(C(=O)c4cccs4)CCN3C2=O)c1 8295650 WTTOHASRUZQLAL-CQSZACIVSA-N 371.418 2.050 0 1 FEAF biogenic CC(C)(O)[C@@H](O)Cc1c(O)ccc2c1O[C@@H](c1ccc(O)cc1)CC2=O 15115070 MCDSHLATEYMKDN-MSOLQXFVSA-N 358.390 2.479 0 1 FEAF biogenic CN(C)CCCNc1cc2c3c(cccc3c1)C(=O)N(CCN(C)C)C2=O 40859891 DQGNTKYAIRWUDW-UHFFFAOYSA-N 368.481 2.361 0 1 FEAF Cc1nn(C(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 45368308 RAIDYGQDVPGIRK-NYBJAGPHSA-N 371.462 2.488 0 1 FEAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NC[C@@H](C)O)c2cc1OC 82129821 DPYSTAMMPMCRIT-NEPJUHHUSA-N 362.430 2.031 0 1 FEAF NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)c(F)ccc3[nH]2)c1 586929706 HHXKVJMCUZVZCH-UHFFFAOYSA-N 359.180 2.107 0 1 FEAF COc1ccc(C=O)c(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)c1OC 587793237 KKVVSBQDUURNOX-UHFFFAOYSA-N 360.391 2.463 0 1 FEAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587784441 HBOIWDWSTPJSHC-LSDHHAIUSA-N 360.377 2.482 0 1 FEAF CN(C)C(=O)C[C@@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962671968 SNSLPGADOBSGEZ-PMACEKPBSA-N 355.438 2.027 0 1 FEAF CCOC(=O)[C@@H]1Cc2ccncc2[C@]12NCCc1c2c(C(C)C)nn1C 962921572 UQNQUGVQFATXNN-VBKZILBWSA-N 354.454 2.063 0 1 FEAF CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(=O)oc2ccc(OC)cc12 1772582748 GOJVJANVZULYDB-INIZCTEOSA-N 374.418 2.158 0 1 FEAF COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 12479592 DTWGNJAOYWEWBR-DOTOQJQBSA-N 356.422 2.302 0 3 FEAF NCCCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1 1857534534 XXJQWDHMWCVZFW-NSHDSACASA-N 356.829 2.188 0 1 FEAF CN1CCN(C(=O)c2cc3cc(I)ccc3[nH]2)CC1 28455563 MKCPCDUXKIKLCG-UHFFFAOYSA-N 369.206 2.160 0 1 FEAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@]23O)ccc1O 2356763871 WFZIOQOKIOIJHN-HOLAOCEGSA-N 372.373 2.320 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1 586909568 YOZBXFOWHUWHCF-NSHDSACASA-N 373.434 2.394 0 1 FEAF COc1cc(OC)c2[nH]c(-c3cc(S(N)(=O)=O)ccc3F)nc2c1 587142423 ZNLYUGGSXHSEIX-UHFFFAOYSA-N 351.359 2.034 0 1 FEAF COC(=O)[C@](C)(O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591913 IDTTUSPFKGOCTE-ZOCIIQOWSA-N 358.346 2.037 0 1 FEAF NS(=O)(=O)c1cccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 587127449 XTODAZNZCROIOK-UHFFFAOYSA-N 363.361 2.150 0 1 FEAF C[C@H](Nc1c(-c2ccc(N3CCOCC3)cc2)c(=O)c1=O)c1ccccn1 1772631665 COQWNPSTYUCQGO-AWEZNQCLSA-N 363.417 2.354 0 1 FEAF Cc1cnn(-c2ccncc2N2CCC(C(=O)N3CC[C@@H](F)C3)CC2)c1 1857581660 QVTMVOBQAZQERE-MRXNPFEDSA-N 357.433 2.363 0 1 FEAF O=C(c1ccno1)N1CCOC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 2356441725 BVTIDBWOXZHAIW-NSHDSACASA-N 357.288 2.008 0 1 FEAF COC(=O)c1cc2c(OC[C@@H](N)CCSC)ccc(OC)c2n1C 103224964 AEIYEJXTSSCRCF-NSHDSACASA-N 352.456 2.433 0 1 FEAF COc1cc(Cl)nc2n/c(=N/C(=O)c3ccc(Cl)nc3)sn12 28565442 HJYNXCFNMUCGLM-ATVHPVEESA-N 356.194 2.242 0 1 FEAF COc1ccc(C2=CN(c3ccc(OC)cc3)[C]3N=CN(N)C(N)=C32)cc1 2356837437 WVULORDUALGAPT-UHFFFAOYSA-N 362.413 2.442 0 1 FEAF N[C@H]1CSCON2CCc3c([nH]c4ccc(O)c(Br)c34)[C@@H]12 15209826 CWYSYORNQMPRTH-RMLUDKJBSA-N 370.272 2.498 0 1 FEAF biogenic Cc1c(CN)c2cc(F)c(N3C[C@@H]4C[C@@]4(N)C3)c(C)c2n(C2CC2)c1=O 1911578437 BTBFRTQVSFZWCG-FKIZINRSSA-N 356.445 2.088 0 1 FEAF CCc1nc(C(=O)N2CCC[C@H]2C(=O)OCCc2ccccn2)cs1 82073546 SAAFXBLQWSVHNZ-HNNXBMFYSA-N 359.451 2.491 0 1 FEAF O=C1C[C@]23CCN(CC4CC4)[C@@H]4C[C@@H](O)[C@H]1C[C@@]42Cc1ccc(O)cc13 195390272 LOXFETCCXNYJIL-QOVBHOHNSA-N 353.462 2.401 0 1 FEAF C[C@@H]1N=CC([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)=N1 146159624 SGHCLOBTFNZTBO-UJFOZSIOSA-N 364.421 2.498 0 1 FEAF C=CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1 621478418 RRUWILNHBPVZAY-SNVBAGLBSA-N 364.345 2.319 0 1 FEAF Cc1c(C(=O)CNc2nc3ccccc3[nH]2)[n+](=O)c2ccccc2n1O 653829349 IIKDKZWTKUDSSR-UHFFFAOYSA-N 350.358 2.273 0 1 FEAF C[C@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592488 HQVDWKFUYZGRDE-FXAWDEMLSA-N 355.390 2.445 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 587231293 NKDSCTXWIFLOHW-ZJUUUORDSA-N 371.363 2.360 0 1 FEAF CC(C)N1CCC(Oc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 146496339 WRSZOMBMEGHKOJ-UHFFFAOYSA-N 361.486 2.209 0 1 FEAF COC(=O)C(C)(C)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1 150064518 BEODJUBSRQEIJW-UHFFFAOYSA-N 361.442 2.152 0 1 FEAF O=C(NCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccncc1 169325454 JRNYSUTYGMXRFP-UHFFFAOYSA-N 365.437 2.204 0 3 FEAF COc1cc2c(cc1OCCC(=O)N1CCCC1)N=C[C@@H]1CCCN1C2=O 28004776 HVLNJLYVFHODPE-AWEZNQCLSA-N 371.437 2.407 0 1 FEAF CCn1cc(CCCC(=O)NCCN2CCN(C)CC2)c2ccccc21 20489997 WPNOWANSBYYLDF-UHFFFAOYSA-N 356.514 2.348 0 1 FEAF O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)NCCC1=CCCCC1 21529625 WKXLGWSRPKEOQB-UHFFFAOYSA-N 369.469 2.326 0 1 FEAF CCCCN(CCO)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1 28331075 GYSXOANIIXTQCO-UHFFFAOYSA-N 351.834 2.172 0 1 FEAF C[C@@H]1[C@H](c2ccc3c(c2)OCO3)O[C@@](O)(c2ccc3c(c2)OCO3)[C@@]1(C)O 2356431513 USEXULCBBRQLCW-KBNXFDMWSA-N 372.373 2.448 0 1 FEAF CC[C@@H]1C[C@H]2C[C@@]3(C(=O)OC)C4=Nc5ccccc5[C@@]4(O)CCN(C2=O)[C@@H]13 2356464299 FCRGUGMZWUACLY-GKTODWEJSA-N 368.433 2.170 0 1 FEAF CN(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccccc1 28567970 LCKIWMSXZXWUFF-LEWJYISDSA-N 367.493 2.389 0 1 FEAF O=C1c2cc3c(cc2OCN1CCc1ccccn1)C(=O)N1CCC[C@@H]1O3 72174427 CXXBNCUUAPHSLV-SFHVURJKSA-N 365.389 2.071 0 1 FEAF CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)[C@@H]1O)Nc1ccccc14)[C@@H]32 73242743 STPIZSHIGYPTLA-VMXMFDLUSA-N 352.434 2.192 0 1 FEAF COc1cc(C)cc(OC)c1OC(=O)[C@@H](CCSC)N1CCOCC1 40465127 ZDHZCXZJOZFUTB-CQSZACIVSA-N 369.483 2.372 0 1 FEAF CN(CC(=O)OCCN)C(=O)c1csc(-c2ccc(Cl)cc2)n1 82085712 YSFOCMUCGMEWCC-UHFFFAOYSA-N 353.831 2.037 0 1 FEAF COc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)cc1 96928855 HJWWGJBIXYZPOQ-UHFFFAOYSA-N 354.815 2.177 0 1 FEAF CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2 95794541 CDKVAMAYTYZORD-AZUAARDMSA-N 351.450 2.033 0 1 FEAF Cn1cc(-c2cc(S(N)(=O)=O)ccc2NCC2CC2)c2cc[nH]c2c1=O 146711792 RGTWAYYRUFWQLG-UHFFFAOYSA-N 372.450 2.003 0 1 FEAF O=C([C@@H]1C[C@@H]2CCN(Cc3ccc4c(c3)OCO4)C[C@@H]2O1)N1CCCC1 96065471 JMALHDIINXVBDV-SNRMKQJTSA-N 358.438 2.017 0 1 FEAF C[C@@H]1C[C@@H](O)[C@]2(C)[C@@]3(C)CC[C@@]2(OC3=O)[C@@]1(CO)C[C@@H](O)c1ccoc1 238739072 LZVVHBYVXMRDLM-UMVCSIPBSA-N 364.438 2.185 0 1 FEAF COc1ccccc1COC(=O)c1cnn2c1[nH][n+](=O)c1ccc(C)cc12 377830175 MBHPBLIYWQTKRH-UHFFFAOYSA-O 365.369 2.404 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C1COC(=O)[C@@H]1[C@H]1C=CCC[C@]12O 85643683 FXVBMGQWXZLTBS-IHFNSMRLSA-N 356.374 2.454 0 1 FEAF biogenic Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccnc2[nH]1 586945275 FJDUJUFOIWPAEM-ZDUSSCGKSA-N 372.450 2.391 0 1 FEAF COc1cc(CC(=O)O)ccc1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963034083 QJECHWOYNDZDRB-ZSEKCTLFSA-N 366.417 2.465 0 1 FEAF COc1cc(C[C@H]2CO[C@@H](O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O 14642249 AQTZWMJGAOIWFV-BXTJHSDWSA-N 360.406 2.481 0 1 FEAF in-vitro C[C@@]1(c2ccc(N)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O 1857547827 PPYFZZVTUCRSEH-SFHVURJKSA-N 359.332 2.197 0 1 FEAF CC1CCN(C2CCN(S(=O)(=O)c3cccc4c3OCO4)CC2)CC1 1857558198 DVZRQOWLJOCPJI-UHFFFAOYSA-N 366.483 2.300 0 1 FEAF CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)c2c[nH]c3ccccc23)CC1 2908103 QEAMCASWOOQMJE-UHFFFAOYSA-N 357.410 2.430 0 1 FEAF N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H](CC(=O)O)C3=O)cc1 3810233 IEPGKKVDERKGDN-AWEZNQCLSA-N 365.389 2.443 0 1 FEAF COc1cc(N)c(Cl)cc1S(=O)(=O)NCCCN1CCCCC1 26506885 MJRFQSBVVOIOIA-UHFFFAOYSA-N 361.895 2.085 0 1 FEAF C[C@@]1([C@@H](O)CO)C=C2CC[C@H]3[C@](C)(C(=O)O)C[C@H](O)C[C@]3(C)[C@H]2CC1 59586254 UWBQESXNYLGFQE-NPIUQXLJSA-N 352.471 2.344 0 1 FEAF biogenic,in-vitro NCC(=O)Nc1ccc(Cc2ccc(NC(=O)CN3CCCC3)cc2)cc1 66098871 GGYKWOBTYLSCKF-UHFFFAOYSA-N 366.465 2.209 0 1 FEAF COCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3ccccc3n2)CC1 61898243 XDKWJIJIGYIDEP-INIZCTEOSA-N 355.438 2.240 0 3 FEAF O=C(C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)N1CCCC1 21871482 VTPIHDGLYZWWDD-UHFFFAOYSA-N 368.485 2.392 0 1 FEAF CC(=O)Nc1ccc2c(c1)nc1n2[C@H](CNCc2ccncc2F)COC1 2356524248 WUJZUGMFFFTBSP-OAHLLOKOSA-N 369.400 2.390 0 1 FEAF COC(=O)CC[C@@H]1CC[C@H](C(=O)OC)c2ccc(S(=O)(=O)O)cc21 2356875787 ZTNLIVFMOYNFBS-GWCFXTLKSA-N 356.396 2.021 0 1 FEAF CN1CCN(C2(CNC(=O)c3ccccc3F)Cc3ccccc3C2)CC1 72179446 BNWRSPAGZHALJH-UHFFFAOYSA-N 367.468 2.341 0 1 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(NNc3ncccn3)c(F)c21 1911584496 ZAECGVWPNLTKJY-UHFFFAOYSA-N 361.308 2.227 0 1 FEAF COc1cc([C@@H]2c3cc(O)c(OC)cc3C=C(CO)[C@H]2CO)ccc1O 14435386 AKOLXLNVZGAYAV-FOIQADDNSA-N 358.390 2.245 0 1 FEAF biogenic C[C@H]1C[C@H](O)[C@]23CO[C@@]2(CO)CCC[C@@H]3[C@]12C[C@@H](c1ccoc1)OC2=O 238756658 BWDPEGUHIBSSSY-ZKFSHILNSA-N 362.422 2.203 0 1 FEAF C/C=C(\C)C(=O)O[C@H](C)[C@](O)(C(=O)OC[C@@H]1CCN2CCC[C@H]12)C(C)C 238783649 LOIDBGQADXQLMY-GRPLBKGCSA-N 367.486 2.299 0 1 FEAF COC(=O)[C@]1(c2cc3ccccc3[nH]2)C[C@H]2CN[C@H]1[C@@H]1OC(C)(C)O[C@@H]21 299848171 JHVNRJMXZHAOAP-YZKGYFAASA-N 356.422 2.091 0 1 FEAF CNC(=O)COc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433289 QCNIWEPNMQECRX-JLTOFOAXSA-N 353.374 2.309 0 1 FEAF N[C@H](N=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 958568028 RCBAOQSDCXKPMH-LSDHHAIUSA-N 367.814 2.348 0 1 FEAF C[C@H]1C[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@@H](O5)C1=O 169305608 VHCBVNYAJHXYLS-MJNLRIBVSA-N 369.461 2.162 0 1 FEAF Cc1ccc(C(=O)NCCCCNCCCNC(=O)c2ccc(C)o2)o1 1857629722 PUXJBBDNPJFKAM-UHFFFAOYSA-N 361.442 2.409 0 1 FEAF CCCCN(C)CCNC(=O)Cn1ncc2c3cc(C)ccc3nc-2c1O 103536825 BJZMKHZOJGKHTF-UHFFFAOYSA-N 369.469 2.398 0 1 FEAF C[C@@H]1C[C@@H](C)N(C[C@@H](O)CNS(=O)(=O)c2ccc3ccccc3c2)C1 28892112 XTEIDNBHYNANFK-RKVPGOIHSA-N 362.495 2.209 0 1 FEAF COCCN1CC[C@H]2CN(C(=O)NC3CCCCC3)CC[C@@H]2CC1=O 2356458218 HUXARUHYHXYGNS-CVEARBPZSA-N 351.491 2.236 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@@H]1C 2356640687 NFAZPKOZGQLFNL-HGFREJDKSA-N 364.438 2.243 0 1 FEAF CC(C)NC(=O)N1CCN2[C@H](C1)CN(C(=O)c1ccccc1)CC2(C)C 2356671168 QCMADAPVUMXWPG-QGZVFWFLSA-N 358.486 2.025 0 1 FEAF CC(=O)S[C@@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1cccc(F)c1 27310460 JPSWAPMQXLKILU-KBPBESRZSA-N 367.398 2.122 0 1 FEAF COC(=O)c1cc2c(c(O)c1OC)CCN1CCC3=CC[C@@H](OC)C[C@]321 15203808 MMZBOILCDYNGKK-XCLFUZPHSA-N 359.422 2.380 0 1 FEAF biogenic COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)c(O)c1 96914503 MEHKYNNHXJARAD-UHFFFAOYSA-N 358.354 2.069 0 1 FEAF CN(C)C(=O)[C@H]1C[C@H]2OCC[C@@H]2N(CCOc2ccc(Cl)cc2)C1 299842800 ZKESXOIOSVQTTE-RRQGHBQHSA-N 352.862 2.286 0 1 FEAF O=C(NC1CCCC1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 169295896 VXVAXTVQJBEBRG-MKSNKDDYSA-N 358.463 2.089 0 1 FEAF CCOC(=O)C(=O)Nc1ccc2c(c1)NC(=O)Cn1c-2nc2ccccc21 1857559357 LDSMQXJGFWUCNA-UHFFFAOYSA-N 364.361 2.157 0 1 FEAF CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C 1857567322 SYPCHPCCGRCVES-KRWDZBQOSA-N 351.491 2.066 0 1 FEAF Cc1cc2nncn2c2sc(C(=O)N[C@H]3Cc4cccnc4C3)c(N)c12 1857611183 ODNSWEAIRUOKFV-NSHDSACASA-N 364.434 2.127 0 1 FEAF COCCN1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN2C1=O 2356300994 PLXLPAZRSRIMEH-HNNXBMFYSA-N 357.376 2.274 0 1 FEAF COc1ccc(CCNC(=O)[C@@H]2NC(=O)C[C@H]2c2ccccc2)cc1OC 4928905 CMIVSLLRJCOTMJ-OXJNMPFZSA-N 368.433 2.035 0 1 FEAF O=C(c1ccccc1)c1c(C(F)(F)F)[n+]([O-])c2ccc(F)cc2[n+]1[O-] 28827386 VXDIWJXVNFQVJJ-UHFFFAOYSA-N 352.243 2.496 0 1 FEAF CCOCn1c(C(=O)c2cccc3ccccc23)c(CC)c(=O)[nH]c1=O 28652501 VLMHMIKEJISQLQ-UHFFFAOYSA-N 352.390 2.477 0 1 FEAF Cc1cc(-c2n[nH]c3c2CN(C(=O)[C@@H]2CC(=O)OC24CCCC4)CC3)no1 23192891 TYNFKAKKWZHGGL-ZDUSSCGKSA-N 370.409 2.134 0 1 FEAF O=C(Nc1ccccc1)N1CCN2C(=O)N(Cc3ccccn3)C[C@@H]2C1 2356767456 BQJBSSQDNYJLSI-KRWDZBQOSA-N 351.410 2.236 0 1 FEAF C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 82211467 FFISQMMEOAJSLY-LBPRGKRZSA-N 370.384 2.389 0 1 FEAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2ccccn2)C1 222447028 JARTYEPYHDKVNL-SJLPKXTDSA-N 367.449 2.139 0 1 FEAF O=C(Nc1cnn(S(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccccn1 198761488 MTHGQCFFYDYWFQ-UHFFFAOYSA-N 364.333 2.046 0 1 FEAF O[C@@](Cn1cncn1)(Cn1nnc2cc(F)ccc21)c1ccc(F)cc1F 49808315 REOPSFUNNPFPIR-KRWDZBQOSA-N 374.326 2.028 0 1 FEAF O=C(CN1C(=O)c2ccccc2C1=O)OC[C@@H]1CCCN2CCCC[C@@H]12 195515397 GJCQCBQSFMXFTI-YOEHRIQHSA-N 356.422 2.090 0 1 FEAF CCCC(=O)N1CC2(CN(C)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO 95865119 AASRGZTYCIWKDB-KRWDZBQOSA-N 371.481 2.046 0 1 FEAF COc1ccc2c(c1)n(C)c(=O)n2Cc1cc(OC)c(OC)c(OC)c1 96926917 NOEWIJLTGNWIEG-UHFFFAOYSA-N 358.394 2.423 0 1 FEAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(CO)cc3[nH]2)cc1 586940759 FIJFZYYKEIUYRA-HJWRWDBZSA-N 357.435 2.454 0 1 FEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H]1[C@H](C(=O)O)[C@H]2C(=O)O 587491891 WQISMQWDRMYOOA-ICCDPAKBSA-N 374.389 2.490 0 1 FEAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(C(=N)N)cc3[nH]2)cc1 586940841 HRVBSPDTWGGTCN-HJWRWDBZSA-N 369.450 2.246 0 1 FEAF Cc1cccc2c(=O)[nH]c(-c3ccc(C(=O)N4CCN(C)CC4)nc3)cc12 1772641381 AUTDQSNDWFMKEA-UHFFFAOYSA-N 362.433 2.286 0 1 FEAF CC[C@H](C(=O)NC[C@@H]1CCCO1)n1nc(C)n2c(cc3sccc32)c1=O 5108463 VCQPPNGOHZSULG-QWHCGFSZSA-N 374.466 2.265 0 1 FEAF O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC[C@H]1CO 12320542 XROXGICUHJOGQA-AWEZNQCLSA-N 353.378 2.399 0 3 FEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN4CCC[C@@H]3C4)cc21 13650325 AAWPEBWRUYSNEA-GFCCVEGCSA-N 359.401 2.143 0 1 FEAF CCCCCC[C@@H](O)CCCCCCC(=O)CCN(O)C(=O)[C@@H](N)CO 14612879 FRMSDVSQWDGNEK-AEFFLSMTSA-N 374.522 2.155 0 1 FEAF biogenic CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@@H]1c1ccc(C)cc1 1857542840 DJHPJICVZYBURS-GOSISDBHSA-N 373.434 2.275 0 1 FEAF Cn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(Cc1ccccc1)CC2 1857612568 DHIDVFJCPZAQDA-UHFFFAOYSA-N 361.445 2.154 0 1 FEAF Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)c1C 4931243 QHYZEGUSTPMRTK-AWEZNQCLSA-N 362.455 2.066 0 1 FEAF CN1C[C@@H](C(=O)N(C)c2ccc(Sc3ccccc3)cc2)C(=O)C1=O 101116691 ZMFQCKGRFZAIRV-MRXNPFEDSA-N 354.431 2.458 0 1 FEAF CCCNC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)C2CC2)[C@H]1c1ccccc1 2356289491 WKNMENDZUSXRCK-UWVAXJGDSA-N 359.470 2.199 0 1 FEAF COc1ccc2c3c1O[C@H]1[C@@H](O)[C@@H](CC(C)(C)O)C[C@H]4[C@H](C2)N(C)CC[C@]341 29249465 BTDCAZOVYZIULV-TWMKBHKSSA-N 373.493 2.112 0 1 FEAF CN1CCc2cc3c(cc2C(=O)C[C@H]2C=CC4=C(OCO4)[C@@H]2C1)OCO3 2356486149 GVARHZCAXDIZEL-IUODEOHRSA-N 355.390 2.494 0 1 FEAF COc1cc([C@@H]2c3cc(OC)c(O)cc3C[C@H](CO)[C@@H]2CO)ccc1O 2356666742 OEZZQOVAJDAVSJ-IAMHBRQHSA-N 360.406 2.020 0 1 FEAF CCCC(=O)N1CC[C@@]1(C)C(=O)Nc1cc(OC)c(OC)c(OC)c1 61902723 ODFWUBGTDPUDBY-SFHVURJKSA-N 350.415 2.442 0 3 FEAF CC(C)(O)[C@@H]1CC[C@H]([C@@H]2CC[C@@H](CCCC3=CC(=O)O[C@@H]3O)CO2)CO1 14970931 CBCBSGOYCHYUBI-LVJIXASFSA-N 368.470 2.320 0 1 FEAF biogenic C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)/C(C)=C/CO)C1 238771282 CFUOHDSKOJEYFL-KLXNVITDSA-N 364.438 2.063 0 1 FEAF O=C([C@H]1CC[C@H]2[C@@H](CCN2CCOCc2ccccc2)O1)N1CCCC1 299842931 KJXJRDFEKDKUEQ-XUVXKRRUSA-N 358.482 2.448 0 1 FEAF O=C([C@H]1CCc2nnc(C3CC3)n2C1)n1ncc2ccc(Cl)cc2c1=O 587653596 BVRJYQJLGNVHEI-LBPRGKRZSA-N 369.812 2.422 0 1 FEAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(C(=N)N)cc3[nH]2)cc1 586927874 YOWBOAHWKSXMSN-UHFFFAOYSA-N 370.434 2.066 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 587230014 DQGZFBMGTRDAHX-QWRGUYRKSA-N 357.414 2.181 0 1 FEAF Nc1ncc(-c2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cn1 587254046 GAEXWFGFDACBBA-UHFFFAOYSA-N 355.365 2.245 0 1 FEAF Cc1c(O)ccc2c1[C@]1(C[C@@H]3NCCc4cccc1c43)N[C@H](C(=O)O)C2 963551502 NXZSYTGEXIWEBY-CKJXQJPGSA-N 350.418 2.134 0 1 FEAF O=C(N[C@H]1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2cccnc2)c2ccccc12 1772592315 ADXUGXVNBMHLJQ-PHZGNYQRSA-N 362.433 2.275 0 1 FEAF O=C(c1cccnc1)[C@@H]1CCCN(Cc2nc(-c3cnccn3)no2)C1 13636733 XMJNODXSUVORNR-CQSZACIVSA-N 350.382 2.017 0 3 FEAF COCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1OC 169687589 GPJLDUGMSIJNTA-ROUUACIJSA-N 367.401 2.293 0 1 FEAF CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ncc(CO)[nH]2)c1 1857641648 WTAZKOKMRXDIMP-UHFFFAOYSA-N 364.833 2.470 0 1 FEAF Cc1cc(C)cc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)c1 28641566 XJDYGEHOEKNJAG-UHFFFAOYSA-N 354.453 2.476 0 1 FEAF O=C(c1ccncc1)N1C[C@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356632423 BBUKAQHDDPJSRQ-BBRMVZONSA-N 358.348 2.476 0 1 FEAF CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)C[C@H](Cc1ccccc1)C(=O)O 2356790527 FRMDSQRXQVVKNU-PKOBYXMFSA-N 369.417 2.342 0 1 FEAF CS(=O)(=O)Nc1cccc(-c2cnc(N)c(-c3cccc(N)c3)n2)c1 84619690 RVCZSZKEIZEENR-UHFFFAOYSA-N 355.423 2.347 0 1 FEAF CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)CC(F)(F)F)C[C@@H]21 95894115 CCQAYRHFWZJQSP-HEHGZKQESA-N 356.344 2.051 0 1 FEAF CCCC(=O)[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H](O5)C1=O 253690220 STRMKLVHDMFVTN-BGIGWJEPSA-N 355.434 2.226 0 1 FEAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587453308 YJIWDNHZQPPHKT-DJJJIMSYSA-N 354.314 2.121 0 1 FEAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(N)ncnc3[nH]2)cc1 587041589 ZQMZPJGUGYMYTJ-LBPRGKRZSA-N 370.438 2.222 0 1 FEAF CNS(=O)(=O)N1CCC(c2nc3cccc(C(F)(F)F)c3[nH]2)CC1 586955457 YLDAIODTVODLAT-UHFFFAOYSA-N 362.377 2.225 0 1 FEAF CCCNc1ccc(S(=O)(=O)NC)cc1Nc1ncnc2[nH]ccc12 1772616022 MIRJOHDXTCBBDH-UHFFFAOYSA-N 360.443 2.432 0 1 FEAF O=C1C[C@H](C(c2ccccc2)c2ccccc2)C(=O)N1CN1CCOCC1 1772641761 UZWUGZKEHRLEIG-LJQANCHMSA-N 364.445 2.483 0 1 FEAF C[C@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O 5762779 WTJYDBMHYPQFNJ-BNROMABJSA-N 368.470 2.222 0 1 FEAF COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(Cc3[nH]cnc3C)C2)c1 11935146 KOGAACTVCIVONP-HNNXBMFYSA-N 372.469 2.377 0 1 FEAF CCOC(=O)c1s/c(=N/C(=O)c2ccc(OC)c(OC)c2)n(C)c1C 12469865 KSJWSURRFMYMDY-ISLYRVAYSA-N 364.423 2.330 0 1 FEAF CC[C@H](C)N1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1 13743353 JLUIVZIFGHVQKL-QMMMGPOBSA-N 352.232 2.136 0 1 FEAF COc1ccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3c2)cc1OC 148038455 SYRSPSGKCFPBOC-UHFFFAOYSA-N 365.433 2.393 0 1 FEAF Cn1c(C[C@H]2CN(Cc3cnc[nH]3)CC[C@@H]2CC(=O)O)nc2ccccc21 2356305983 XUKJEMVRFGMDKV-CABCVRRESA-N 367.453 2.452 0 1 FEAF Oc1nnc(Br)c2c(Br)nc(Br)n12 29462216 MXYBZAJUJFKFRQ-UHFFFAOYSA-N 372.802 2.117 0 1 FEAF COc1ccc(C(C)=O)cc1Cn1c(C)c(C(=O)NC2CC2)sc1=O 61908779 QLZDAOWROJJXJE-UHFFFAOYSA-N 360.435 2.370 0 3 FEAF CCc1nc(CNC(=O)c2ccc([C@@H](C)N3CCCCC3)o2)cc(=O)[nH]1 63835506 RIZMJSJSNRXYFZ-CYBMUJFWSA-N 358.442 2.402 0 1 FEAF O=C(O)C[C@H]1CCN(Cc2cnc[nH]2)C[C@H]1Cc1nc2ccccc2[nH]1 2356494002 OFSQPFVDPIYVIQ-ZIAGYGMSSA-N 353.426 2.442 0 1 FEAF Cc1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2Cl)n1 2356567189 LQCPUPMGJALTKE-QFHJOOASSA-N 361.873 2.129 0 1 FEAF O=C(c1ccccc1)N1CCN(C[C@H](O)COC[C@@H]2CC=CCC2)CC1 20026350 SDURUYRZFZLZBY-QUCCMNQESA-N 358.482 2.178 0 3 FEAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCc2ccc(Cl)cc2)c1 73298208 JDRSQGJWTVRNGM-APWZRJJASA-N 373.932 2.136 0 1 FEAF COc1cc(O)c2c(c1OC)O[C@H](c1ccccc1O)[C@@H](OC(C)=O)C2=O 14643393 KWSYXBWUMWEBHH-APWZRJJASA-N 374.345 2.363 0 1 FEAF biogenic C[C@H]1C(=O)c2[nH]ncc2[C@@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1 49089187 RSEQEACXQZGJOR-SFYZADRCSA-N 374.344 2.160 0 1 FEAF CC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCC(=O)NO 147356429 XAZXNRXDVOIVAN-UHFFFAOYSA-N 368.484 2.481 0 1 FEAF Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(O[C@H](C)C(=O)O)cc1 587556089 SVPCWZGZDPEACD-SNVBAGLBSA-N 355.350 2.187 0 1 FEAF NC(=O)NCCC[C@H](N)c1nc2cc(Br)cc(Cl)c2[nH]1 587260096 QBGGOBOWJAGNSM-QMMMGPOBSA-N 360.643 2.427 0 1 FEAF COC(=O)c1ccc2c(c1)NC(=O)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438849 IHVTXCNNETWGJK-XCLFUZPHSA-N 365.341 2.077 0 1 FEAF N[C@@H](Cc1nc2cnnc(O)c2[nH]1)c1ccc(Br)cc1F 587144515 NQYKKQYGEKCZRY-VIFPVBQESA-N 352.167 2.203 0 1 FEAF C[C@H](NC(=O)c1cnccn1)c1c(-c2ccc(F)cc2)noc1C(=O)O 2356373275 WWPTWUFQFLVXKR-VIFPVBQESA-N 356.313 2.460 0 1 FEAF O=C(CCCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nccs1 101664054 ZMRRWMLGIBHURV-NZBPQXDJSA-N 359.451 2.449 0 3 FEAF aggregator CNC[C@H](Nc1ncnc2c(C(N)=O)ccc(OC)c12)c1ccccc1 114345110 GXYOPEGHNADCQI-AWEZNQCLSA-N 351.410 2.110 0 1 FEAF CCC[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)O 27743646 SFGNRLKCFSZOSU-CABCVRRESA-N 350.415 2.307 0 1 FEAF O=C(C[C@H]1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccco1 35272180 IZHMORDLBSKBHC-OAHLLOKOSA-N 366.425 2.321 0 1 FEAF Cc1cc(-c2n[nH]c3c2CN(S(=O)(=O)N2CCCCC2)CC3)c(C)o1 23231526 BHGRIQONTLDVFB-UHFFFAOYSA-N 364.471 2.375 0 1 FEAF CC(C)(C)n1cc(NC(=O)c2ccc3cc4n(c3n2)CCCNC4=O)cn1 117704432 BLIQORTUYKIMFR-UHFFFAOYSA-N 366.425 2.374 0 1 FEAF COc1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3ccccn3)C(=O)O2)cc1 40897082 YYDMEIVVYUPBAW-CKOFDZGGSA-N 369.373 2.009 0 1 FEAF C[C@@H](N)c1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1 143446989 SJLZOBANZAVCGF-IUODEOHRSA-N 365.437 2.216 0 1 FEAF O=C(CCC[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1)NCc1cc(Cl)ccn1 618015633 XTOVRHRNJSCJGB-JYJNAYRXSA-N 364.877 2.126 0 1 FEAF CC(C)NC(=O)NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc2C1 43527019 NSSMDFKEHFZVHA-HLAWJBBLSA-N 370.541 2.463 0 1 FEAF biogenic O=C1COc2cc3[nH]c(CCn4ccc(C(F)(F)F)n4)nc3cc2N1 587119580 ZUDOFUHCUPHUNH-UHFFFAOYSA-N 351.288 2.352 0 1 FEAF O=C(c1ccc(F)cc1)C1CCN(CCn2nc3n(c2=O)CCCC3)CC1 13447934 VAHWTCLNTMXWBN-UHFFFAOYSA-N 372.444 2.115 0 1 FEAF O=C(O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)c(O)c1 13823382 YAXWAIVSNHQNLF-BQYQJAHWSA-N 365.319 2.106 0 1 FEAF Cc1ccc(CNc2nc(CN3CCN(C=O)CC3)nc3ccccc23)o1 19742477 NKGFFVAVKGHTQD-UHFFFAOYSA-N 365.437 2.417 0 1 FEAF C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@]12O)[C@@](O)(CO)C3 166422850 YTQXQYMNEBKZSN-BOWPSTPOSA-N 352.471 2.322 0 1 FEAF COc1ccccc1CNC(=O)c1nc(N)nc(Nc2ccccc2)n1 103241516 JBCWRQAMYHAPLV-UHFFFAOYSA-N 350.382 2.136 0 1 FEAF CCOC(=O)C1=C(N)Oc2cc(OC(C)=O)ccc2[C@@H]1c1cccnc1 103253047 PSVXFJXJHSUBBL-INIZCTEOSA-N 354.362 2.265 0 1 FEAF CC(C)c1ccc([C@@H]2C3=C(O)OCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 103685402 KRXONWWSHBBBHA-CQSZACIVSA-N 367.405 2.225 0 1 FEAF NC(=O)c1cc(-c2ccnc(Nc3ccccc3)c2)nc(N2CCNCC2)c1 58563970 MTXHXAFTVABHOY-UHFFFAOYSA-N 374.448 2.396 0 1 FEAF COc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@H]43 100735106 ZTHVHELPCLGXHF-YJXIWDTCSA-N 364.445 2.101 0 1 FEAF O[C@H]1[C@H](n2cc(-c3ccccc3)cn2)[C@H]2OC[C@@H](O2)[C@@H]1NC1CCCC1 2356319114 DBYCJLIIEGBOPY-CXQPBAHBSA-N 355.438 2.108 0 1 FEAF N[C@H]1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1 113651595 PIKDFAHBMFJENX-LBPRGKRZSA-N 356.817 2.172 0 1 FEAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 2356870445 XRHIKCUDHMGCKH-IPMKNSEASA-N 363.546 2.435 0 1 FEAF CC(=O)NCCNc1ncc(C(=O)N2CCCC2)c(-c2ccc(F)cc2)n1 82140312 BCEMWFKDNFYBNP-UHFFFAOYSA-N 371.416 2.067 0 1 FEAF CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 95903343 DGIMEPVAUFODOA-LZLYRXPVSA-N 364.490 2.007 0 1 FEAF Cn1cc([C@@H](NC2CCN(Cc3ccccc3)CC2)C2CC(O)C2)cn1 230561316 FOFBPZUPFAFCPN-JITJBCMDSA-N 354.498 2.486 0 1 FEAF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C 257694455 YOQIGAVHLYFIAF-RQWLBFBTSA-N 364.438 2.243 0 1 FEAF endogenous,in-man NS(=O)(=O)c1cccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 586912154 APFVQGLIEVNINU-UHFFFAOYSA-N 373.434 2.012 0 1 FEAF Cn1ncc(Br)c1C(=O)n1ncc2ccc(Cl)cc2c1=O 587650642 AWIBRVDFVINIJD-UHFFFAOYSA-N 367.590 2.234 0 1 FEAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](NC)c3cccnc3)[nH]c2c1 587224173 GDSDLZLIXGYGFJ-QGZVFWFLSA-N 373.482 2.297 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cn(C)nc1C(F)(F)F)NCC2 962928906 UHPDYMQJUWLKGX-AWEZNQCLSA-N 352.360 2.376 0 1 FEAF O=C(NC[C@@H]1C[C@H](CNC(=O)c2ccccc2Cl)CN1)c1ccccc1 1772637866 CFNBBSGQEOLPOS-HOCLYGCPSA-N 371.868 2.478 0 1 FEAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2O)CC1 13560114 XDLONFWTAWHJIX-UHFFFAOYSA-N 371.481 2.224 0 1 FEAF CCCC(=O)OCSc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C(N)=O 1857541155 JHZJIGKQOBIWRE-GXTWGEPZSA-N 364.467 2.463 0 1 FEAF CNCCNC[C@@H]1CCC[C@]12C[C@@H]1[C@H]2[C@H](O)C[C@@]2(C)CCC[C@@]1(O)C2 2356365435 MGICYJJSAWMNGJ-QSXYEBRMSA-N 350.547 2.294 0 1 FEAF O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 102662263 OOFARBRHWMUVAB-FPAYPSAMSA-N 354.450 2.290 0 1 FEAF CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@@H]2CC[C@@H]1C2 103031802 IQHKHGHDPGFXAV-JTNHKYCSSA-N 359.455 2.323 0 1 FEAF O=S(=O)(NC[C@H](O)CN1CCC[C@@H]1C1CC1)c1cccc2ccccc12 28891874 JMVRBNGGLNYRTP-PKOBYXMFSA-N 374.506 2.353 0 1 FEAF COc1ccccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 116822206 ZKKLOXINBQVYPJ-IYBDPMFKSA-N 352.438 2.310 0 1 FEAF CC=C1CN2CC[C@@H]3Nc4ccccc4[C@@H]3[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 2356446761 QLRORKBBLVDRPD-DLRXZHIHSA-N 356.466 2.386 0 1 FEAF COc1cc2nc(N3CCCN(C)CC3)nc(NC3CC3)c2cc1OC 36382492 ZNRVIVOOPQPLMS-UHFFFAOYSA-N 357.458 2.363 0 1 FEAF C[C@@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@@H]2CCN(C)C[C@@H]21 73164962 BVICSNQLCGMLKS-SLEUVZQESA-N 362.499 2.053 0 1 FEAF CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 218564967 AWKTWOOCLJMRQH-SNVBAGLBSA-N 356.361 2.247 0 1 FEAF COc1cc([C@@H]2Oc3ccc4[nH]cc5c4c3[C@@H]2C(=O)NCC5=O)ccc1O 210900391 BATKVFDLIDCNEK-OALUTQOASA-N 364.357 2.412 0 1 FEAF O=S1(=O)N(CC[C@@H](O)CNC2CC2)c2ccccc2N1c1ccccc1 49034390 AZFGCYKKRIPXTL-QGZVFWFLSA-N 373.478 2.393 0 1 FEAF COCCCNc1ncc(C(=O)N2CCOCC2)c(-c2ccc(F)cc2)n1 82136316 HLUOJIREYZZCJJ-UHFFFAOYSA-N 374.416 2.204 0 1 FEAF CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N=C(Nc1ccccc1)S2 95584539 MHYLHHZUANZCRI-UHFFFAOYSA-N 368.461 2.353 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CN(C)C[C@H]4C)ncc23)ccn1 261186161 XMZFCJMQTJCRIA-BDJLRTHQSA-N 365.441 2.400 0 1 FEAF C[C@@]12Nc3cc(O)ccc3[C@]1(O)CCN2Cc1ccc(/C=C/C(N)=O)cc1 299854214 WCANESPIOIPEPJ-AWTHQZBNSA-N 365.433 2.126 0 1 FEAF Cc1noc(C)c1C(=O)N1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 299843069 LTCNHIUGHXPUNM-LPHOPBHVSA-N 357.410 2.277 0 1 FEAF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587141855 DIHFJCKZVYHLBV-UHFFFAOYSA-N 360.292 2.430 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1cn(C)nc1-c1cnn(C)c1)[C@@H](C2)C3=O 587430729 GNLDAVHANKWRTE-DJJJIMSYSA-N 350.378 2.318 0 1 FEAF O=C(O)C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350853 IHJWCRUJSWBXJJ-YJBOKZPZSA-N 360.293 2.188 0 1 FEAF O=C(O)CCC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604111 RDDKWMQFCGQURV-KXBFYZLASA-N 372.329 2.432 0 1 FEAF COc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cn1 1772641306 OZLNMBNCWGJAJR-UHFFFAOYSA-N 363.425 2.389 0 1 FEAF O=C([C@@H]1CCN(c2ccccc2)C1=O)N1CCC(N2CCSCC2)CC1 12702075 AOZOKLWMHOCAQJ-SFHVURJKSA-N 373.522 2.079 0 1 FEAF C[C@H]1CCC/C=C/[C@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C/C(=O)O1 169366693 ZZWKZQDOSJAGGF-HRWKJJJOSA-N 365.470 2.075 0 1 FEAF CNCCn1cc(-c2ccc(Cl)c(NC(=O)c3coc(=N)[nH]3)c2)cn1 1857579379 LYWCZAUYNZESHK-UHFFFAOYSA-N 360.805 2.076 0 1 FEAF Cc1ccccc1-n1nc(COc2ccc(F)c(C(N)=O)c2F)oc1=O 1857615810 JAKHKNYYGDNQJF-UHFFFAOYSA-N 361.304 2.090 0 1 FEAF COc1ncc(-c2ccc(=N)[nH]c2)cc1NS(=O)(=O)c1ccccc1 1857640747 XSIWPNBUXIIUPF-UHFFFAOYSA-N 356.407 2.366 0 1 FEAF C[C@@H]1[C@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@]1(O)CCC1=CCOC1=O 2356317655 JSFDZACEGAEQSO-SXLTXYRYSA-N 350.455 2.393 0 1 FEAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)cc1 4049211 AKFGUWYEEONLBK-MJGOQNOKSA-N 354.406 2.286 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(C3CC3)n2)[C@H](NCc2ccccc2F)C[C@H]1O 2356288645 ILCBFGPWRHSWIA-RAUXBKROSA-N 371.456 2.183 0 1 FEAF COC(=O)C1=C[C@@H]2[C@H](CCN3CC[C@]4(C(=O)Nc5ccccc54)[C@H]23)[C@@H](C)O1 2356398082 VVECRUHJDJLLEQ-ILVCIKCMSA-N 368.433 2.063 0 1 FEAF CCO[C@@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CCN42)[C@@H]6[C@H]53 2356522856 WHEDIELHNDPRJQ-BPFFMJNMSA-N 364.445 2.414 0 1 FEAF COc1ccc2nc(CO[C@@H]3CN(C(=O)c4cccnc4)C[C@H]3F)[nH]c2c1 2356743635 RUFJARDCTCHALG-RHSMWYFYSA-N 370.384 2.346 0 1 FEAF C[C@@H](Oc1ccc([S@@](C)=O)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 38929932 OEZIOTVGUGZTPR-NBYSFASXSA-N 351.468 2.360 0 1 FEAF C=CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccccc2OC(F)(F)F)C1 618017246 IFJRPIBCHDPPPE-SNVBAGLBSA-N 364.345 2.319 0 1 FEAF CCOC(=O)c1cn(CC)c2cc(-n3cc(C(C)(C)O)nn3)ccc2c1=O 653804957 AXCRFLACLOTCAL-UHFFFAOYSA-N 370.409 2.006 0 1 FEAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(O)nc(O)nc3[nH]2)c1 587241438 BZTSTGMPBGAOPM-UHFFFAOYSA-N 359.342 2.484 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(C(=O)OC)c2[nH]1 587232101 TUOFGPJQDBSVFN-STQMWFEESA-N 359.426 2.386 0 1 FEAF O=C1COc2cc(Br)ccc2N1CCc1nc2cnncc2[nH]1 587001832 HQSOCKXJGZACNC-UHFFFAOYSA-N 374.198 2.084 0 1 FEAF COc1ccccc1N1CCN(Cc2ccc(CN(C)C(C)=O)n2C)CC1 13743832 BJNGJVFHWCCTQX-UHFFFAOYSA-N 370.497 2.334 0 1 FEAF C[C@H]1CCN(C(=O)[C@H]2CCC(=O)C2)C[C@@H]1N(C)c1ncnc2[nH]ccc12 169307135 XLWYJSMYNALODL-XEZPLFJOSA-N 355.442 2.000 0 1 FEAF COCCN1CCN(C(=O)C[C@@H]2C[C@H](C(C)C)[C@@H](CO)C=C2C)CC1 2356311330 HFYNVMFMXANLJT-IPMKNSEASA-N 352.519 2.014 0 1 FEAF Cc1cccc(C)c1NC(=O)[C@@H]1C(=O)c2sccc2N(C)S1(=O)=O 4042785 YPGZJJDHEDVKFE-HNNXBMFYSA-N 364.448 2.335 0 1 FEAF CO[C@H]1[C@H]([C@H](CC(=O)O)NCC[C@H](C)CC(C)C)O[C@@H]2OC(C)(C)O[C@H]12 103296915 PQWSTYMWWPTFKP-ZMYPEMHKSA-N 373.490 2.383 0 1 FEAF COc1cc(O)c2c(c1)[C@H]([C@@H]1CC[C@H](O)[C@]3(CCC[C@H](C)O3)O1)OC2=O 2356501116 OJAFRAAQCYCPAI-CIFLCEMDSA-N 364.394 2.438 0 1 FEAF O=C1[C@@H]2CS[C@]3(C(=O)Nc4ccccc43)N2C(=O)N1Cc1ccccc1 66251414 BXEHJQWVPWIPPZ-HNAYVOBHSA-N 365.414 2.371 0 1 FEAF COc1ccc(CN2CC[C@]2(C)C(=O)NCCNC(C)=O)c2ccccc12 61905619 CYNXIJGRYACMFB-OAQYLSRUSA-N 369.465 2.065 0 3 FEAF O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCC(=O)n1ccnc1 45495946 XQRYZSMUIDBFFU-UHFFFAOYSA-N 374.356 2.311 0 1 FEAF COC[C@@H](NC(C)=O)C(=O)NCc1ccc(CCc2cccc(F)c2)cc1 49785838 KYDWRGXZFJYVGS-HXUWFJFHSA-N 372.440 2.378 0 1 FEAF Nc1nc(NCC2CCCCC2)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 45245150 CFNDOXKVHLKKPK-HNNXBMFYSA-N 370.457 2.067 0 1 FEAF O=C(C(=O)N1CCN(C(=O)OCc2ccccc2)CC1)c1cccs1 95600367 GPJKUVPWTHVNKQ-UHFFFAOYSA-N 358.419 2.412 0 3 FEAF CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1CC(=O)NCc1ccccc1OC 25427786 MRUVCVHLSPQDSV-LSDHHAIUSA-N 368.499 2.009 0 1 FEAF biogenic O=C(O)c1cn(C2CC2)c2cc(N3CCN4CCC[C@H]3C4)c(F)cc2c1=O 253713745 WQCGCCQGNUCOJN-ZDUSSCGKSA-N 371.412 2.458 0 1 FEAF CCOC(=O)CC[C@]1(C(=O)OC)C(=O)CCCCCC=C1C(=O)OC 263591141 DVEZQQPWLQWKCS-GOSISDBHSA-N 354.399 2.122 0 3 FEAF CNC(=O)[C@@H]1Cc2cc(F)c(F)cc2N1C(=O)COc1ccc(F)cc1 473133991 AHKZMQGCTJWNPY-INIZCTEOSA-N 364.323 2.187 0 1 FEAF Cc1cccc(N2C(=O)[C@H]3ON=C(C(=O)c4cccs4)[C@H]3C2=O)c1C 100643875 CYVMVERIVVLFDT-CJNGLKHVSA-N 354.387 2.492 0 1 FEAF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CN2CCN(C)CC2)N1 587764288 DBWUZMVAFANAHS-MEDUHNTESA-N 356.283 2.411 0 1 FEAF Cn1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587581215 KXLGYVSGCLGLAV-DNVCBOLYSA-N 366.329 2.067 0 1 FEAF CS(=O)(=O)C[C@]1(c2c[nH]c3ccccc23)NCCc2ccc(O)cc21 963342034 QHBWRVGPTYSIGK-IBGZPJMESA-N 356.447 2.307 0 1 FEAF COc1cccc2cc3c(nc12)C1(CCN(C(=O)N(C)C)CC1)NCC3 963046540 KMOLKLMVCQZKAN-UHFFFAOYSA-N 354.454 2.362 0 1 FEAF NC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 5932771 AZURXMGITRDFMD-VIFPVBQESA-N 363.364 2.098 0 1 FEAF C/C=C1\CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@]4(CO)C(=O)OC 14415850 XLHUHYFKFFGUFE-ICUSHYPNSA-N 352.434 2.216 0 1 FEAF biogenic,in-vitro CN1Cc2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C1=O 103234917 JFMISICGCNHPMU-NTUHNPAUSA-N 355.444 2.346 0 1 FEAF Cc1cc2c(cc1S(=O)(=O)NCc1ccccc1Cl)OCC(=O)N2 8588730 AIQAKQGUGCGICT-UHFFFAOYSA-N 366.826 2.458 0 1 FEAF CN(C)CC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(-n2nccn2)n1 58592095 QKJHAKPYTLBQLZ-ZDUSSCGKSA-N 367.244 2.102 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2(C)[C@@H]1C 2356639611 WMGYLVZNPCNSGB-BAPHQFHRSA-N 364.438 2.387 0 1 FEAF COc1ccc(S(=O)(=O)N2CCOC[C@@H](Oc3ccccc3)C2)cc1 2356642973 AYTDXHXGQKIAMC-KRWDZBQOSA-N 363.435 2.164 0 1 FEAF Cc1ccc(S(=O)(=O)Oc2ccc(C3=NO[C@@H]4CN(C)C[C@H]34)cc2)cc1 73167866 WGUDHIHKQGIMPM-ZWKOTPCHSA-N 372.446 2.427 0 1 FEAF O=S(=O)(CC1=NCCO1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 72118507 QPDFVRWYZZOMGC-RBUKOAKNSA-N 370.430 2.374 0 1 FEAF Cc1cc([C@]2(c3cccc(-c4cncnc4)c3)NC(=N)N(C)C2=O)ccn1 34804871 WVICKDVVFIIGRI-FQEVSTJZSA-N 358.405 2.087 0 1 FEAF COC(=O)[C@](C)(O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591911 IDTTUSPFKGOCTE-MDASCCDHSA-N 358.346 2.037 0 1 FEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)F)ncc2[nH]1 587202314 CLAPKABVLXOQRO-VIFPVBQESA-N 357.336 2.056 0 1 FEAF Brc1cnc(Br)c2[nH]c(CC3OCCO3)nc12 586906799 AFAMACAFFLSDRY-UHFFFAOYSA-N 363.009 2.398 0 1 FEAF COC(=O)C[C@]1(C2CCC2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963226339 DSOAQWMQHNRIOU-YLJYHZDGSA-N 354.406 2.392 0 1 FEAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@]2(CCn3ccnc32)N1 962647904 ZBEINMXIMFBETL-IUODEOHRSA-N 353.300 2.028 0 1 FEAF CCOC(=O)[C@]1(c2ccccc2C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963489690 HYKNSLCAKKUSCI-HRAATJIYSA-N 369.417 2.415 0 1 FEAF COc1nc(Cl)c[nH]c1=NS(=O)(=O)c1ccnc(Cl)c1Cl 1857747778 HAJMGJGSWRRSGB-UHFFFAOYSA-N 369.617 2.063 0 1 FEAF C[C@]1(O)[C@@H]2C[C@@H]3C[C@H](C2)C[C@@H]1[C@@]3(CC(=O)N1CC(O)C1)c1ccc(F)cc1 1772585921 GYOAVHNCAHIQFG-ZUZAUEAQSA-N 373.468 2.474 0 1 FEAF C[n+]1cccc(-c2ncc(-c3ccc(OC[C@H](O)C(C)(C)O)cc3)o2)c1 15266395 RCUIQTITHDSEAJ-SFHVURJKSA-N 355.414 2.344 0 1 FEAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N[C@H](CO)CC(C)C 4546320 QEJDHXPCFIAKER-QEEPVVCCSA-N 368.518 2.262 0 1 FEAF CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21 1857587591 PIFQMGNPBKIDAY-UHFFFAOYSA-N 354.414 2.322 0 1 FEAF Cc1cnn(-c2ccncc2N2CCC(C(=O)N(C)[C@H]3CCOC3)CC2)c1 1857594854 WJDNKNOXGKNDJU-KRWDZBQOSA-N 369.469 2.039 0 1 FEAF NS(=O)(=O)c1ccc(-n2ncc3c2C[C@@H](c2ccccc2)CC3=O)cc1 1857631558 OPUYATOWSQLHRR-CQSZACIVSA-N 367.430 2.432 0 1 FEAF O=C(O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 364066972 OYCVVTFPLBBUBY-INIZCTEOSA-N 374.418 2.177 0 1 FEAF COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NC[C@@H]1CCCO1 7005259 PJNNXXYLXKJKSA-AWEZNQCLSA-N 366.439 2.424 0 1 FEAF CC[C@H]1CCCN1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12 28891891 VQLFBCKOXXZMFC-IRXDYDNUSA-N 362.495 2.353 0 1 FEAF CCOC(=O)C[C@@H]1CCCN1C(=O)C(=O)c1c[nH]c2c(OC)cccc12 28771508 BHJKLRZKDBSSKN-LBPRGKRZSA-N 358.394 2.303 0 1 FEAF C[C@@H]1C[C@H](O)[C@]2(CO)[C@H](CCC[C@@]23CO3)[C@@]1(C)CCC1=CC(=O)OC1 85675224 BJVMZGWCXNSNGI-GKBWTKQCSA-N 350.455 2.205 0 1 FEAF biogenic COc1cccc([C@H]2C3=C(COC3=O)N(CCO)c3cc(OC)ccc32)c1 299823190 KMSFNUUSZSXKIZ-LJQANCHMSA-N 367.401 2.459 0 1 FEAF COC(=O)C1([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC(OC)(OC)C1 587402490 DNZNOQFQBUWECI-QGZVFWFLSA-N 363.410 2.243 0 1 FEAF CCCS(=O)(=O)N1CCC(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CC1 586952367 JGKVKHZJDZEMMM-UHFFFAOYSA-N 369.418 2.319 0 1 FEAF Cc1c(-c2cncc(C3(O)CCOCC3)c2)cnc2c1CCCN2C(N)=O 1772653051 WMUXOKHAHYTBQJ-UHFFFAOYSA-N 368.437 2.281 0 1 FEAF O=C(C(=S)N1CCOCC1)c1cccc(I)c1 1772641003 NLGDHXJIHQGXTA-UHFFFAOYSA-N 361.204 2.134 0 1 FEAF CC(=O)N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C1 5663116 QEHFAHSIVHFASZ-HZSPNIEDSA-N 371.478 2.462 0 1 FEAF C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O 203473422 WXDCQRSWEZUMEK-XEQOOIGLSA-N 350.455 2.241 0 3 FEAF CN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)ncn2)CC1 1857536350 LPTRCGOYHAYNCF-SFHVURJKSA-N 352.486 2.133 0 1 FEAF CCOC(=O)CN1C(=O)S/C(=C\c2cccc(CCC(=O)O)c2)C1=O 1857560307 LCNMSBWDSOHTLG-LCYFTJDESA-N 363.391 2.303 0 1 FEAF COc1cccc(Nc2ncc3ncc(=O)n(C[C@H]4CCCO4)c3n2)c1 4238659 MQEQOIBINLXTJW-CQSZACIVSA-N 353.382 2.118 0 1 FEAF O=c1oc2ccc(Cl)cc2n1CCCN1CCN(c2ncccn2)CC1 103167708 GXZQHECHPJIHLZ-UHFFFAOYSA-N 373.844 2.250 0 1 FEAF Cc1c2c(cc3c1[C@H](c1ccoc1)OC3=O)[C@H]1COC(=O)C1=C[C@@H](O)C2 2356477178 XYDSFEQOFYTNPI-LSKLOWJMSA-N 352.342 2.332 0 1 FEAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@@H](NC2CCC2)C[C@H]1O 2356644962 ZBHVSIJVBDRBMB-QGZVKYPTSA-N 371.456 2.325 0 1 FEAF O[C@@H]1[C@@H](NCc2ccc(Cl)c(Cl)c2)[C@H]2CO[C@@H](O2)[C@@H]1n1cccn1 2356776512 UMUPJBKIFWFBCD-JKJDWNRSSA-N 370.236 2.005 0 1 FEAF CC[C@@H](C)NC(=O)CCc1nnc2c(=O)n(-c3cc(C)cc(C)c3)ccn12 71928054 DDPGQZOGSXEMGM-OAHLLOKOSA-N 367.453 2.344 0 1 FEAF C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)C2)C[C@@H]1N(C)c1ncnc2[nH]ccc12 38444250 XLWYJSMYNALODL-IOASZLSFSA-N 355.442 2.000 0 1 FEAF CCN1C[C@@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)ncc32)C1=O 40847326 NOTKQRIPSRTPNZ-LLVKDONJSA-N 370.384 2.128 0 1 FEAF N[C@@H]1CCN(Cc2nc(O)c3oc4ccc(Br)cc4c3n2)C1 84669519 HNIDDGUBRPIXPG-SECBINFHSA-N 363.215 2.377 0 1 FEAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(C)=O)cc1 95895491 HMSAMPDYDGLPOA-GBGNZALESA-N 356.466 2.263 0 1 FEAF CC(C)c1nc(C(=O)NC[C@@H]2CN(C3CCC3)CCO2)c2ccccn12 653792934 FIHPZTYJVXVUII-MRXNPFEDSA-N 356.470 2.441 0 1 FEAF CNS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 586946316 JWKVKRNKSPGYFJ-UHFFFAOYSA-N 373.434 2.027 0 1 FEAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587091680 HSSXNDSOMQMWEI-LLVKDONJSA-N 369.391 2.444 0 1 FEAF Cc1ccc(-c2nnc(SCc3nc4c(O)nc(O)nc4[nH]3)n2C)cc1 586966010 YVMKCPDTEGKCPM-UHFFFAOYSA-N 369.410 2.160 0 1 FEAF COc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1OC 586950709 BCNCYPSPSCAOLQ-UHFFFAOYSA-N 368.440 2.384 0 1 FEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H]1[C@@H](C(=O)O)[C@@H]2C(=O)O 587491893 WQISMQWDRMYOOA-NASIGMKCSA-N 374.389 2.490 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)NC2)N1 587799423 WZGBNMVWBBWUKQ-BCSUUIJWSA-N 357.223 2.154 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CC(=O)N(C)C1 587869110 BNGXWIBXCWEDTM-JTQLQIEISA-N 368.315 2.091 0 1 FEAF COC(=O)C(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587806610 KFBKSLJEJRTIQR-ANRSDYALSA-N 358.207 2.470 0 1 FEAF O=C(c1ccc(O)cc1)N1CCC2(CC1)NCCc1nc3ccccn3c12 962990685 SIQYDMUCWZVCHL-UHFFFAOYSA-N 362.433 2.317 0 1 FEAF O=C(O)[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 11847375 DKIDUEFGXKKXNI-QKDZRIPBSA-N 354.399 2.316 0 1 FEAF CCc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3cccc(F)c3)C2)on1 12712659 QBQPQVRSJBGAJD-CQSZACIVSA-N 359.401 2.431 0 3 FEAF O=C(O)c1cn(C2CC2)c2cc(N3CCN4CCC3CC4)c(F)cc2c1=O 13650316 CHAMGYZQVLLZHI-UHFFFAOYSA-N 371.412 2.458 0 1 FEAF O=C(O)c1cc(CCn2cnc3c2NC=NC[C@@H]3O)c2ccccc2c1 13861920 BHYHIEMPROVLIW-INIZCTEOSA-N 350.378 2.464 0 1 FEAF O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1ncc(-c3ccc(F)cc3)cn1)C2 209511896 XRQZLWJZJPCXTO-CYBMUJFWSA-N 357.301 2.227 0 1 FEAF O=C(O)CCCCCC[C@@H]1C(=O)C[C@H](O)[C@@H]1C=C[C@H](O)CCCCCO 2356340274 LDUBDFDZFOQXGF-NTDBWNAOSA-N 370.486 2.448 0 1 FEAF OCC1CCN(c2ncc3c(n2)CCC[C@H]3NCc2cccnc2)CC1 59299979 BZCIPKXTDXWKKP-GOSISDBHSA-N 353.470 2.248 0 1 FEAF C(=C/c1nc2c(NCCN3CCOCC3)ncnc2[nH]1)\c1ccccc1 58506452 JSCVOZAMGNSSTH-VOTSOKGWSA-N 350.426 2.267 0 1 FEAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@](C)(O)[C@H](O)CC[C@]13C 2356582775 XEMFUWNKYXGJQS-UWFHYFKBSA-N 366.498 2.409 0 1 FEAF COC(=O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)[C@@H](O)OC2=O 2356695749 VIETWRMQYIXKOG-KRWDZBQOSA-N 350.367 2.313 0 1 FEAF CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)NC(C)C 28702055 RXBGNQVESFBRNB-OAHLLOKOSA-N 360.414 2.323 0 1 FEAF O=C1NC(=O)[C@@](CN2Cc3cc(Cl)ccc3C2=O)(c2ccc(F)cc2)N1 38224765 JBUMSXZQHQQUPH-GOSISDBHSA-N 373.771 2.170 0 1 FEAF CN1CCc2cc(O)c(O)cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1 14930413 XPVUPHZUUXVXQD-IAGOWNOFSA-N 355.346 2.267 0 1 FEAF biogenic CC(C)(C)NC(=N)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 71316726 WPHJCHOAAXVXAQ-OUCADQQQSA-N 365.503 2.283 0 1 FEAF Cc1ccccc1-c1nc(C(=O)NCC(=O)OCC(C)(C)N(C)C)co1 82072295 NODXHVKQJPBSAW-UHFFFAOYSA-N 359.426 2.263 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(N)=O)CC2)N1 587771771 XRNSHRAPZPOJHP-SECBINFHSA-N 356.239 2.492 0 1 FEAF Cn1nnc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1C(F)F 587129227 UJIDFDKMVJGEPG-UHFFFAOYSA-N 372.339 2.355 0 1 FEAF CC(C)(C)OC(=O)N1C[C@H]2CCc3cc4c(O)nc(O)nc4nc3[C@@H]2C1 587559300 WYXHVGLSENTXQI-ZYHUDNBSSA-N 358.398 2.333 0 1 FEAF CCn1cncc1[C@@H]1N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962630834 KSXVWSKOLWKWCD-YGRLFVJLSA-N 355.316 2.490 0 1 FEAF CN(C[C@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21)S(C)(=O)=O 149350145 HCCMWBGJRNVHQF-ZDUSSCGKSA-N 368.405 2.325 0 1 FEAF CC1=NN=C(O)/C1=N\Nc1ccc(-c2n[nH]c(=O)n2-c2ccccc2)cc1 5891095 UQBMIGFDSXEDIL-UHFFFAOYSA-N 361.365 2.342 0 1 FEAF O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cnc2ccccc2c1 169293737 ZJEUUDOBFLQKBE-OQTPBVATSA-N 373.412 2.226 0 1 FEAF O=C(CCCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccn1 203474869 VWHMETCACPXFRC-DFEHZGFQSA-N 353.422 2.388 0 3 FEAF COC(=O)/N=c1\[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[nH]1 1663040 SQKFIMBPIYOIMJ-UHFFFAOYSA-N 364.358 2.103 0 1 FEAF O=C1NC2(CCN(c3nc(O)c4c(n3)CCCC4)CC2)c2ccccc21 1857578453 YZLWXJLWHXPUGR-UHFFFAOYSA-N 350.422 2.300 0 1 FEAF Cc1nnsc1C(=O)N1CCCC[C@@H]1c1cc2[nH]c(C)c(C)c(=O)n2n1 1857582955 ASCGOVHRAWOTSX-CYBMUJFWSA-N 372.454 2.167 0 1 FEAF Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2cnc3ccccc3c2=O)cc1 6544367 IMCHMZUQIRXKQI-CQSZACIVSA-N 365.389 2.275 0 3 FEAF O=C(CCCn1sc2ccccc2c1=O)N1CCC2(CC1)OCCO2 6800131 CVFAGTOZFSCLRU-UHFFFAOYSA-N 362.451 2.209 0 1 FEAF CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1ccccc1C 101505610 XJIDLLKCKDJEFK-HOTGVXAUSA-N 359.470 2.181 0 1 FEAF COc1cccc(CN2CCN3C(=O)N(Cc4cccnc4)C[C@@H]3C2)c1 2356399139 NSZVRVITFYCMHQ-SFHVURJKSA-N 352.438 2.212 0 1 FEAF CC1=C2[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O 100784028 MTYSOJAHTIASFA-QEBIIEHZSA-N 364.438 2.135 0 1 FEAF endogenous,in-man CN1C(=O)[C@@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccccc3)[C@H]2C1=O 101789493 DIJLPIGOFMVRRF-VQIMIIECSA-N 372.384 2.257 0 1 FEAF Cc1oc2c(c1C(=O)N1CCN(c3ccccc3)CC1)C1=NCCN1C=N2 100696071 ALGOPXFRZRZGSI-UHFFFAOYSA-N 363.421 2.286 0 1 FEAF CC=C1CN(C)C(=O)[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@H]12 2356411543 SBJLRAOPYMKDRU-QVKFZJNVSA-N 366.417 2.491 0 1 FEAF COc1ccc(CN(C)c2cnc3nc(N)nc(N)c3n2)c2ccccc12 29224989 SBADBIOXBPRPLQ-UHFFFAOYSA-N 361.409 2.382 0 1 FEAF C[C@]1(O)C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3CO 2356468662 LMRVOLJKVFSTPO-RHYNQOSHSA-N 352.471 2.034 0 1 FEAF CCCc1c(O)c(=O)c([C@H]2OC(=O)c3cc(OC)cc(OC)c32)cn1C 2356486656 ZQHQNMKDRSDFAT-GOSISDBHSA-N 359.378 2.320 0 1 FEAF CC[C@H](C)[C@H](NC(=O)C[C@@H]1CCC(=O)[C@@H]1CC=CCC(=O)O)C(=O)O 2356830334 JGWHHQHWBOQVJU-JRATXPSKSA-N 353.415 2.008 0 1 FEAF CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccccc4)c3c2)CC1 38696951 SVLOBFJUUCMSOY-UHFFFAOYSA-N 356.451 2.148 0 1 FEAF C[C@@]12OC[C@H]3O[C@]4(O)[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(CO1)[C@H]32 238747401 CJESTWPBFVQPRY-IDSXWBSESA-N 362.466 2.360 0 1 FEAF COC(=O)[C@@H]1C[C@]23C=CC(=O)N4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 238762620 AYJNRNWGLVYFEQ-MWGPDUTGSA-N 350.418 2.233 0 1 FEAF CN(C)Cc1ccc(C(=O)NCCCN=c2[nH]c3ccccc3[nH]2)cc1 473172859 ZIHQFUPTMJPYAD-UHFFFAOYSA-N 351.454 2.278 0 1 FEAF Nc1ccn2c1[C@@]1(CNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589609 VXTVATWNMLZIIK-JXFKEZNVSA-N 363.373 2.194 0 1 FEAF NS(=O)(=O)c1cccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 587138812 RFDQYDNLQIGXDG-UHFFFAOYSA-N 355.341 2.413 0 1 FEAF Cc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)CCC(=O)O)s1 587564391 RDYZRLQYTWWEGR-UHFFFAOYSA-N 373.390 2.449 0 1 FEAF N=c1[nH]cc2nc(/C=C/c3cccc(I)c3)nc-2[nH]1 587183476 CVZVVJSSCSUPEP-SNAWJCMRSA-N 363.162 2.492 0 1 FEAF CN(Cc1nc2ccnc(O)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928617 GBDVALCLBWVPRG-UHFFFAOYSA-N 352.803 2.138 0 1 FEAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1NC(=O)C=C(C(F)(F)F)N1)CC2=O 587464673 VRMIMMMYFZANPC-WBMJQRKESA-N 370.327 2.170 0 1 FEAF O=C(O)[C@@H]1C[C@@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587345724 GJDMOFALDDORLW-XAUMDUMWSA-N 371.364 2.466 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN[C@H](C(=O)O)C2)N1 587795600 RHGLYWADIXNBAK-CYBUAMNDSA-N 357.223 2.154 0 1 FEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 586935603 IXAOOYCUPWQSBT-UHFFFAOYSA-N 362.411 2.016 0 1 FEAF CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2ccoc2)NC(=O)N1 1772582761 APTKIYZSANGZLZ-INIZCTEOSA-N 356.334 2.380 0 1 FEAF NC(=O)c1cccc2[nH]c(C(=O)NC3CCN(C4CCCCC4)CC3)nc12 1772592775 RDGBTLITXWRFQU-UHFFFAOYSA-N 369.469 2.189 0 1 FEAF CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)[C@@H]1O)Nc1ccccc14)[C@@H]32 169301122 STPIZSHIGYPTLA-ZIBCJSCZSA-N 352.434 2.192 0 1 FEAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]13CCC1=C(C(=O)OC1)[C@@H](O)/C=C\[C@@H]32 205031702 AHAPUAPISQPISM-CBYRUUOASA-N 356.374 2.454 0 1 FEAF CC(=N)NCc1cccc(CNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c1 1857536274 LJQOXJQTLSALRE-IBGZPJMESA-N 363.465 2.441 0 1 FEAF CCn1c(=O)n(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(=O)c2ccccc21 4035718 JIOIPFWJCUUZEU-OFQRWUPVSA-N 357.454 2.124 0 3 FEAF CCOCC[S@](=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 29123292 FZYQMBIXCLWGTB-XMMPIXPASA-N 372.468 2.375 0 1 FEAF COc1cc(O)cc([C@@H]2OC[C@H](C(=O)c3ccc(O)c(OC)c3)[C@H]2CO)c1 2356667765 PSOMGRNIAXLWFK-GUXCAODWSA-N 374.389 2.294 0 1 FEAF CCO[C@@]12C[C@@H]3[C@@H]4CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CCN42)[C@@H]6[C@H]53 2356859020 SQERIZJQGWEYQJ-VWKUYANCSA-N 366.461 2.289 0 1 FEAF C[C@@]1(O)OC[C@H](C(=O)O)[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]21 33831665 AQHLWAARHKACOY-XKKCUXDKSA-N 356.422 2.143 0 1 FEAF COCC(=O)Nc1cccc([C@]2(C3CCCCC3)NC(=N)N(C)C2=O)c1 34950035 VAZKQVYVSGKYLY-IBGZPJMESA-N 358.442 2.043 0 1 FEAF COc1cc(C[C@@H]2OCC(=O)[C@H]2Cc2ccc(O)c(OC)c2)ccc1O 238785310 RNXYRAQIZQGUIK-KDOFPFPSSA-N 358.390 2.484 0 1 FEAF CCOc1ccc2c(c1)n1ncc(C(=O)Oc3cccs3)c1[nH][n+]2=O 377830448 UHYQMTSRUALFPM-UHFFFAOYSA-O 357.371 2.410 0 1 FEAF COC(=O)c1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1 586935210 GCKQUIKZTISHHS-UHFFFAOYSA-N 362.411 2.031 0 1 FEAF CCOc1ccccc1[C@](N)(c1nc2c(O)ncnc2[nH]1)C(F)(F)F 587091867 HAACHQTZDRSOPU-AWEZNQCLSA-N 353.304 2.222 0 1 FEAF CSc1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 586940184 WPRKGRYOKSBXSR-VIFPVBQESA-N 351.457 2.058 0 1 FEAF CC1(C)[C@H](OCCN)C[C@@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962731009 PYGUUZVOHJNQDX-CPUCHLNUSA-N 356.388 2.301 0 1 FEAF c1ncn(Cc2ccc(-c3noc(-c4ccc(C5=NCCN5)cc4)n3)cc2)n1 1857573922 PNYIGMHMNHQFAH-UHFFFAOYSA-N 371.404 2.393 0 1 FEAF O=C1C[C@H]2CCCN2c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2N1 113155624 MCKAOKHMZZEKTH-SNVBAGLBSA-N 371.368 2.485 0 1 FEAF Cc1ccc([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2CCN(C)C)o1 100286772 FNAUEZJKFGUHLN-HUUCEWRRSA-N 360.435 2.163 0 1 FEAF CN1C(=O)[C@H]2C(c3cn(-c4ccccc4)nc3-c3ccccc3)=NO[C@H]2C1=O 101789488 DIJLPIGOFMVRRF-QFBILLFUSA-N 372.384 2.257 0 1 FEAF CC(=O)S[C@H](C(=O)c1ccccc1)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O 27309304 FLRNAFWKDUMBPC-WPGHFRTFSA-N 363.435 2.229 0 1 FEAF O=C(O)CCC(=O)NC[C@@H]1Cn2c(-c3cccc(Cl)c3)cnc2CO1 2356302421 VACLVQLCCTYGMD-CYBMUJFWSA-N 363.801 2.083 0 1 FEAF CC(C)CCNC(=O)[C@@H](NC(=O)[C@H](C)CC(=O)[C@@H](N)CC(C)C)C(C)C 29204871 FFVIWVMEKHYVNS-RYRKJORJSA-N 369.550 2.258 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@H]1[C@H](CCCCCCC(=O)O)[C@H](O)C[C@H]1O 2356504274 JRNZEGAFLBTZDT-XREYTECCSA-N 372.502 2.238 0 1 FEAF CCN(C[C@H](C)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1)c1ccccc1 27736296 WDHNSTCZVPHUHW-IFXJQAMLSA-N 357.454 2.029 0 1 FEAF Cc1cc(O)c(C(=O)O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)COC3=O 14715904 MVANNUHXKUVXCX-UHFFFAOYSA-N 372.285 2.408 0 1 FEAF biogenic CC(C)(Cc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)c2c1OCC(=O)N2 45254958 RTMYEPMSIONNFA-MRXNPFEDSA-N 372.421 2.073 0 1 FEAF CC(C)(C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 45386332 LISFZPGKPNOTAW-GJZGRUSLSA-N 351.878 2.321 0 1 FEAF CC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 95666911 JQLMZEHDZHOBJD-PWRODBHTSA-N 368.477 2.455 0 1 FEAF C[C@H]1CCC/C=C/[C@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C\C(=O)O1 96901731 ZZWKZQDOSJAGGF-WLNFFEQUSA-N 365.470 2.075 0 1 FEAF CCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O 95895354 CXRQKXDLSRZGRM-QKNQBKEWSA-N 356.466 2.455 0 1 FEAF CC(C)COC(=O)N1[C@@H](c2ccco2)[C@@H](CO)C[C@]12CCCCNC2=O 299851967 LJGNDHACSBSRLD-OGWOLHLISA-N 364.442 2.466 0 1 FEAF O=C(c1nc[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657716 FVQHCTVICLMAMD-UHFFFAOYSA-N 353.288 2.148 0 1 FEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ncnc1O 587588262 SBFMTAJIGJPQBM-LRDDRELGSA-N 352.302 2.296 0 1 FEAF O=C(O)[C@@H]1CC[C@]2(CN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349903 WAGXQNPIDWDLLX-RIFZZMRRSA-N 371.364 2.466 0 1 FEAF CCOC(=O)c1[nH]cnc1[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732218 YHERCLPTAVFBJI-NWDGAFQWSA-N 367.327 2.322 0 1 FEAF O=C1OC[C@@H]([C@@H](O)c2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 169292499 NHMODCAASJDQKF-KSMMKXTCSA-N 370.357 2.209 0 1 FEAF CC[C@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169302275 CSSBPZDYBJWQFO-DICRZQGBSA-N 368.389 2.052 0 1 FEAF C1=C[C@H]2NC=C[C@H]2C(OC2CCN(c3ccc(-n4ccnc4)nn3)CC2)=C1 101310872 UJIMAOCGCGNVGP-IAGOWNOFSA-N 362.437 2.203 0 1 FEAF NNc1nc(N)nc2ccc(S(=O)(=O)c3ccc4ccccc4c3)cc12 26274946 MNUOEQYPKAAMNT-UHFFFAOYSA-N 365.418 2.484 0 1 FEAF COCCNC(=O)[C@@]1(C)Cc2c(-c3cccc(NC(C)=O)c3)ccnc2O1 61904072 CJXGGQQPLJIVIS-HXUWFJFHSA-N 369.421 2.163 0 3 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C 2356639614 WMGYLVZNPCNSGB-MXOMYUGUSA-N 364.438 2.387 0 1 FEAF CCO[C@@H]1CO[C@H]2Oc3cc(OC)c4c5c(c(=O)oc4c3[C@@H]12)C(=O)CC5 2356717862 XVGSZYUKPBGPPW-FXHACXQTSA-N 358.346 2.168 0 1 FEAF CCO[C@@H]1CO[C@@H]2Oc3cc(OC)c4c5c(c(=O)oc4c3[C@@H]12)C(=O)CC5 2356717865 XVGSZYUKPBGPPW-SMNXXWJPSA-N 358.346 2.168 0 1 FEAF COc1nc(Br)cnc1NS(=O)(=O)c1ccsc1 34269748 WAVRWIPXWRWJNH-UHFFFAOYSA-N 350.219 2.110 0 1 FEAF CN(C)CCSSCCNC(=O)Nc1ccc(C(=O)O)c(O)c1 219708047 PPNBGPRZTAUATR-UHFFFAOYSA-N 359.473 2.155 0 1 FEAF Cc1c(N2CC[C@@H]3C[C@]3(N)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12 1911574170 XCMLBGXZRPIXHP-XCLFUZPHSA-N 356.445 2.170 0 1 FEAF C/C=C(\C)C(=O)O[C@@H]1[C@@]2(C)[C@H](C)[C@H](O)CC[C@@H]2C[C@@]23OC(=O)[C@@H](C)[C@@]12O3 85675969 FYNKIYMILKEXOG-JYPPZTJHSA-N 364.438 2.340 0 1 FEAF in-man COc1ccc(CCNc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)cc1 82204001 PNSLVWCJELOUQJ-KRWDZBQOSA-N 369.469 2.163 0 1 FEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N1CCOCC1 222373026 WNYGUIMINVSVMX-UHFFFAOYSA-N 363.421 2.056 0 1 FEAF O=C(c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1)N1CCCC1 82139986 FQSHONGEJOCEAW-UHFFFAOYSA-N 356.401 2.355 0 1 FEAF Cc1ccc2occ(CNCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1 96940559 KWQRNQKSKUSLBR-UHFFFAOYSA-N 358.419 2.039 0 1 FEAF CNc1nn2c(C)c(CCCN)c(C)nc2c1S(=O)(=O)c1ccccc1 141831170 GCSQOYDPBNGTJV-UHFFFAOYSA-N 373.482 2.112 0 1 FEAF COc1cc2c3c(c1)O[C@](C)(c1cccc(S(N)(=O)=O)c1)[C@@H](C2)C3=O 587450820 VAYRGXNBYHBIKC-KBXCAEBGSA-N 359.403 2.005 0 1 FEAF COC(=O)[C@@H]1COC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355636 FJSNONVWEBJSIT-XAUMDUMWSA-N 372.348 2.448 0 1 FEAF COc1cc(OC)c(CNc2ccc3nc(N)nc(N)c3c2)c(OC)c1 5888528 IGTKNTAMQRRYRV-UHFFFAOYSA-N 355.398 2.432 0 1 FEAF O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCCC1=CCCCC1 12372721 AIGMKTZNBGOLFB-IBGZPJMESA-N 355.482 2.384 0 3 FEAF COc1ccccc1N1CCN(CCN2Cc3ccccc3C2=O)CC1 13776825 NCPHXWIOGZPMQX-UHFFFAOYSA-N 351.450 2.473 0 1 FEAF CC[C@@H]1Cc2cc(OCCCO)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857767228 CJVLTJVJZNTNAV-CYBMUJFWSA-N 373.405 2.491 0 1 FEAF Cc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(N(C)C)c3C)c2c1 103248975 PINPHUOCZBNNLI-UHFFFAOYSA-N 370.432 2.257 0 1 FEAF C[C@H](CN1CCCCC1)OC(=O)[C@@H]1CCCN1C(=O)C(=O)c1ccccc1 25967620 ILUNHFJNZYNQAL-AEFFLSMTSA-N 372.465 2.278 0 1 FEAF CC(C)C(=O)O[C@@H]1C[C@]23OC(=O)C[C@]2(C[C@@]2(O)OC[C@@]3(C)[C@@H]2C)[C@H]1C 2356788551 XFNNCCSGHVEVIE-MXORHBMFSA-N 352.427 2.031 0 1 FEAF O=C(N[C@H]1CCN2C(=O)c3ccccc3NC(=O)[C@@H]2C1)c1cccc(F)c1 8300220 DYTQLCDZNRIGIT-YOEHRIQHSA-N 367.380 2.181 0 1 FEAF biogenic CO[C@H]1[C@@H](C(=O)O)[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@H]1O 15119159 MTPIGWYBUMYQDT-LUYNTIJASA-N 370.449 2.184 0 1 FEAF biogenic NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)CN2)c2cccnc12 143536849 ORCHNWVAWGAOCS-RDTXWAMCSA-N 360.417 2.418 0 1 FEAF C[C@@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1cn2ncsc2n1 618020155 OSKTUHJEHGMPGP-SNVBAGLBSA-N 354.395 2.173 0 1 FEAF COc1cccc(CC(=O)Nc2cnc3cnc(-c4cnn(C)c4)cn23)c1 653671286 NYVLMHGSDDFQDF-UHFFFAOYSA-N 362.393 2.320 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ncnc2O)N1 587779811 WHYXTXQOJQATLX-INWYIAFRSA-N 354.179 2.413 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ncnc2O)N1 587779105 QFRYVAYJIMGIGE-INWYIAFRSA-N 354.179 2.413 0 1 FEAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3NC=O)c(CC(=O)O)c2c1 587650680 QVAIWDQIQMBOHI-UHFFFAOYSA-N 372.402 2.434 0 1 FEAF Cc1ccnc2c1CCN[C@@]2(CCC(=O)NCCC(=O)O)c1cccs1 963089867 RFQXJVOGTSMNCI-IBGZPJMESA-N 373.478 2.212 0 1 FEAF CC(C)c1nn(C)c2c1[C@]1(NCC2)[C@@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5C1(OCCO1)[C@H]42 962915031 SYYSULQZQFEGQS-TZZINHNWSA-N 367.493 2.015 0 1 FEAF Cn1cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)nn1 169708479 YRPCKZFYHRQIQN-JNHRWOMLSA-N 365.409 2.128 0 1 FEAF Cn1cc(-c2ccc3c(c2)c(F)c(C(=O)N[C@@H]2CCN(C#N)C2)n3C)cn1 1857545120 ABOUVMQCYPNIBT-CQSZACIVSA-N 366.400 2.003 0 1 FEAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]2[C@@H]1C 2356338778 CXAMELXYQHONHH-BODNSECXSA-N 350.503 2.229 0 1 FEAF CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C)cc1 101816485 FSKYBLYVPPNARE-VVTMIQRTSA-N 355.394 2.046 0 1 FEAF O=C1CS[C@@H](C23CC4CC(CC(C4)C2)C3)N1CCN1CCOCC1 28713226 SCKSFDPJFGUTNU-ZJIILYSQSA-N 350.528 2.437 0 1 FEAF CC(=CCO)CCC=C(CO)CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1 2356733736 RXGMJLUUKIBYON-NLWGTHIKSA-N 356.503 2.474 0 1 FEAF COc1ccc(C(=O)O[C@H]2C[C@H]3C[C@@H](OC(C)=O)[C@@H](C2)N3C)cc1OC 14590295 KKSWMTSSEOMYMM-LJIGWXMPSA-N 363.410 2.027 0 1 FEAF biogenic CC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 82196022 FDIZJENLNIHESX-UHFFFAOYSA-N 370.375 2.390 0 1 FEAF COc1cc2c(cc1OC)[C@H](c1ccc(C)cc1)N(S(N)(=O)=O)CC2 40875958 WEEXCXWHPJKSLL-SFHVURJKSA-N 362.451 2.163 0 1 FEAF C[C@@H](CF)Oc1cc(C(=O)N[C@@](C)(CC(N)=O)C2CC2)ncc1C1CC1 146154581 FLPDTGMQAJUKQC-WLRWDXFRSA-N 363.433 2.470 0 1 FEAF CC[C@@H](C)Nc1ncc(C(=O)NCCNC(C)=O)c(-c2ccccc2)n1 82134101 CCGFIRLCIPRWSC-CYBMUJFWSA-N 355.442 2.220 0 1 FEAF CN(c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1)S(C)(=O)=O 143242130 GMWUTXPMKGSGJQ-UHFFFAOYSA-N 357.391 2.391 0 1 FEAF CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 95894514 JXCIZYZKUTYCFB-GBESFXJTSA-N 371.481 2.470 0 1 FEAF OCCc1ccccc1N=c1[nH]c(Cl)nc(=NCc2ccccc2)[nH]1 473096133 YXQTZOSBWVDCQQ-UHFFFAOYSA-N 355.829 2.259 0 1 FEAF CCOC(=O)[C@H]1Cc2ccncc2[C@]12NCCc1c2c(C(C)C)nn1C 962921567 UQNQUGVQFATXNN-JLTOFOAXSA-N 354.454 2.063 0 1 FEAF COCC[C@@]1(CC(=O)OC)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962759152 BERCLEZBIDKCAG-BBRMVZONSA-N 359.344 2.127 0 1 FEAF N[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1C1CC1 5932813 UQIZXARYWNEIEE-CZUORRHYSA-N 371.412 2.347 0 1 FEAF CC=C1CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@H]2C[C@H]1c2ccccc2N[C@@H]13 2356363889 OFQWNEQERHWDMW-JBHGGXTISA-N 354.450 2.139 0 1 FEAF CCc1c(C)sc(NC(=O)c2c(Br)cnn2C)c1C(N)=O 3671165 ZZYGTZSIUQIXNS-UHFFFAOYSA-N 371.260 2.466 0 1 FEAF CC(C)=C[C@@H]1O[C@@]2(C)C[C@@H]3O[C@@]4(O)[C@@H]2[C@]1(O3)[C@H](C)[C@@H]1CC[C@H](C)[C@@]14O 2356473648 LZBPPKVLRFJPQW-NTJCGICCSA-N 350.455 2.357 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 2356562243 QVVXWHIDRKRPMO-YUAHOQAQSA-N 370.486 2.446 0 1 FEAF COCCn1c(=O)n(C)c2cnc3ccc(-c4ccc(OC)nc4)nc3c21 118522266 MLKZQLZLWPQANJ-UHFFFAOYSA-N 365.393 2.000 0 1 FEAF COc1cccc(CN2CCC[C@H](O)[C@@H](NC(=O)c3ccc(O)cc3)C2)c1 2356866230 WEKNPHPVBWPNFG-PMACEKPBSA-N 370.449 2.156 0 1 FEAF Nn1c(CS(=O)(=O)Cc2ccc(Cl)cc2)nnc1-c1ccccc1 40409084 LVEWEMHZYRVMIU-UHFFFAOYSA-N 362.842 2.427 0 1 FEAF CS(=O)(=O)c1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 45349923 KVGLKVYRRJMJHZ-UHFFFAOYSA-N 357.387 2.152 0 1 FEAF C[C@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3ccncc3)c(=O)n21 82212118 NRKDNWCYQSTUCL-AWEZNQCLSA-N 369.469 2.432 0 1 FEAF O=C(OC1CCN(c2cncs2)CC1)N1CCN(C2CCC2)CC1 223515460 QNXKLBAOIPGPPK-UHFFFAOYSA-N 350.488 2.419 0 1 FEAF CN1[C@H](C(=O)NCc2cccc(C(F)(F)F)c2Cl)CCS1(=O)=O 95566091 BWFBHAVJLYUEHY-JTQLQIEISA-N 370.780 2.009 0 1 FEAF Cc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@H](F)[C@@H]2F)c(O)nc1=O 253634541 PQQRFJCTYYBOKY-ORIJERBGSA-N 352.337 2.048 0 1 FEAF COc1cccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)c1 263590295 JITLAPCUTSRKRQ-IRXDYDNUSA-N 358.419 2.119 0 3 FEAF CC(C)NC(=O)N1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1 473123269 UVJIRZNCCXDTBQ-UHFFFAOYSA-N 372.473 2.367 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@H]32)N1 587799794 YRTJZWNKUMAAGA-BBHXOYFRSA-N 369.234 2.010 0 1 FEAF Nc1nccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 587113795 LSNXSIJMLDPBDL-UHFFFAOYSA-N 360.303 2.261 0 1 FEAF COC(=O)Cc1ccccc1[C@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963473776 TWJINTXJONQVAM-HNAYVOBHSA-N 355.390 2.104 0 1 FEAF COc1cccc(C[C@@]2(CO)CCCN(C(=O)C3=C(C)OCCO3)C2)c1 15068947 RZMRVEGCGOVVTF-FQEVSTJZSA-N 361.438 2.117 0 1 FEAF O=C1NC(=O)[C@@H](C[C@@H]2COc3ccc(Br)cc3C2=O)S1 169325620 LQENPMDZEOSVTA-LHLIQPBNSA-N 356.197 2.382 0 1 FEAF COc1ccc(-c2nc3ccc(N4CCNCC4)cc3[nH]c2=O)cc1OC 1857610327 QHUKFTIYFFLFAG-UHFFFAOYSA-N 366.421 2.017 0 1 FEAF O=C(CN1CCN(CCc2ccccc2)CC1)Nc1nc2ccccc2[nH]1 1857763169 DGPOFCDQOPPQIJ-UHFFFAOYSA-N 363.465 2.362 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)Nc1ccc(F)c(F)c1 4564674 CUZAJCFDYBKNRT-YNHQPCIGSA-N 360.360 2.491 0 1 FEAF CCCNC(=O)N1CC[C@](C)(O)[C@H](NC(=O)C2CC2)[C@H]1c1ccccc1 2356289489 WKNMENDZUSXRCK-HLIPFELVSA-N 359.470 2.199 0 1 FEAF O[C@@](Cn1cncn1)(Cn1ccc2cccnc21)c1ccc(F)cc1F 28894826 HRTVXCGNJKVFFZ-GOSISDBHSA-N 355.348 2.494 0 1 FEAF O=C(C1CCOCC1)N1CCOC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 2356302025 KCUKBBOZKXUMLR-AWEZNQCLSA-N 374.359 2.133 0 1 FEAF O=C1Nc2ccc(C=Cc3ccc(O)cc3)cc2C(=O)N2C[C@H](O)C[C@@H]12 2356314378 FESHBJMOZADKSM-QAPCUYQASA-N 350.374 2.090 0 1 FEAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@@H](OC(=O)C(=CCO)CO)CC(C)=CCC1 2356611313 RYZYAGBFMJKAJG-LAVFITLUSA-N 364.438 2.063 0 1 FEAF CC[C@@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@@H]1O 2356781067 HQZUCSQUBHQEDH-GVBQFRNKSA-N 352.434 2.393 0 1 FEAF CCNc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O 72123179 HCLNKCJLLGQVMU-UHFFFAOYSA-N 363.465 2.223 0 1 FEAF Cc1c(OCc2cccnc2)ccc2c(N3CCNCC3)cc(=O)oc12 49942640 DQYRZHIBHZNYMR-UHFFFAOYSA-N 351.406 2.485 0 1 FEAF Nc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)nc1 49088059 AQZCUKHDRDMPLK-UHFFFAOYSA-N 373.420 2.296 0 1 FEAF CN(C)C(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O 137655463 UJNRJTAYSRLEJD-UHFFFAOYSA-N 351.362 2.177 0 1 FEAF Cc1ccc2c(=S)n([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)ccc2c1 98209115 VWYVWCCRRCEFQM-BFHYXJOUSA-N 371.351 2.437 0 1 FEAF in-vitro C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)CO 299878602 JJIBTNFXXNRHAW-CCOQFQHCSA-N 366.502 2.016 0 1 FEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(Br)cc2[nH]1 587204719 RUGZILFMDQFYGI-LBPRGKRZSA-N 367.247 2.404 0 1 FEAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586921995 JQOMELLGRHPQNX-UHFFFAOYSA-N 364.448 2.427 0 1 FEAF O=C1c2ccccc2-c2cc(CN3C(=O)COCC3=O)nc3ccc(O)c1c23 586988825 XCQHWRKLXDQGRF-UHFFFAOYSA-N 374.352 2.037 0 1 FEAF CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2 5035782 JJENZDJUQWZMDP-UHFFFAOYSA-N 373.434 2.178 0 3 FEAF O[C@@H]1CCCN(CCNc2nncc(-c3ccc(C(F)(F)F)cc3)n2)C1 12709097 ISUSZPHESTWRAH-CQSZACIVSA-N 367.375 2.426 0 1 FEAF CN1c2ccccc2C(=O)[C@H](C(=O)Nc2cccc(Cl)c2)S1(=O)=O 17720336 MURQOCGMNPLCPE-OAHLLOKOSA-N 364.810 2.310 0 1 FEAF NC1=N[C@@]2(c3ccccc3F)CO[C@@H](COc3cnccn3)C[C@H]2CS1 169711636 CHLYFPUOMSXHOI-JCGVRSQUSA-N 374.441 2.357 0 1 FEAF c1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1 205248764 XVJJTRNNWYKRTH-UHFFFAOYSA-N 357.421 2.492 0 1 FEAF COc1ccc([C@@H]2[C@H](C(=O)N3CCCC3)CC(=O)N2C(=O)C2CC2)cc1 209982305 QFVYXEMADROWDP-SJLPKXTDSA-N 356.422 2.144 0 3 FEAF CCC(CC)C(=O)N1CCN2[C@@H](CN(Cc3ccccc3)C[C@]2(C)CO)C1 2356387144 JMSQTGKBGXBCJH-RBBKRZOGSA-N 373.541 2.202 0 1 FEAF CCN(Cc1ccccc1)C(=O)Cn1c(=O)cc(C)c2c(C)nn(C)c21 6916236 ROJOVDSFPCRKHP-UHFFFAOYSA-N 352.438 2.401 0 1 FEAF C[C@@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@H]1NCCc2c1[nH]c1ccccc21 103021647 OSVWDXIDKQZVIQ-MEDUHNTESA-N 368.437 2.048 0 1 FEAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@@H](OC(=O)C(C)=CCO)C1 2356539853 CFUOHDSKOJEYFL-UBDQQSCGSA-N 364.438 2.063 0 1 FEAF CNC[C@@]1(C)CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 27525356 JVGBUFVXUHXHCB-LJQANCHMSA-N 374.416 2.005 0 1 FEAF CSc1ccc(-c2ccc3c(c2)C(=O)N2CCNC[C@H]2C(=O)N3)cc1 71405139 RPXCPOWVNVMOQW-KRWDZBQOSA-N 353.447 2.442 0 1 FEAF biogenic N=c1[nH]c2nc(-c3cncc(I)c3)nc-2c(Cl)[nH]1 587185280 QVPXQVUEGXNYLS-UHFFFAOYSA-N 372.557 2.037 0 1 FEAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccnc(O)c4[nH]3)cc12 587039656 ZUCKCEFOJSTFQI-MRVPVSSYSA-N 356.411 2.411 0 1 FEAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(F)cc2[nH]1 586939884 SXCFLEHMIWZGIW-SSDOTTSWSA-N 357.798 2.128 0 1 FEAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1[C@@H](C(=O)O)NC[C@@H]31 586990099 VFQDKNNTFJXQBK-FUVFPRGESA-N 358.353 2.389 0 1 FEAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc3c(cn2)OCO3)N1 963001617 ZMKYZNAPLMKKQQ-MEBBXXQBSA-N 368.723 2.430 0 1 FEAF CC(=O)NC[C@H]1C[C@H](n2cc(-c3cccc(O)c3)c3c(N)ncnc32)C1 1772589774 RYXYGTHROOHSKY-MQMHXKEQSA-N 351.410 2.473 0 1 FEAF CNC(=O)c1cccc(Nc2nn(CC3CC3)c3c2CN(C(C)=O)CC3)c1 1772573072 QEBQWMOQSWEYPS-UHFFFAOYSA-N 367.453 2.301 0 1 FEAF COc1cc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)cc(OC)c1O 19839885 AFKUUCOAHANQPY-KRWDZBQOSA-N 366.502 2.324 0 1 FEAF CC1=NC(=S)N[C@H](c2c(C)cc(C)cc2C)[C@H]1C(=O)N1CCOCC1 169691255 OFQCIWCDSOMFTB-DLBZAZTESA-N 359.495 2.477 0 1 FEAF C[C@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]1(O)CCc1ccoc1 207117456 MWRCOENTYGAOSI-IQJONCJWSA-N 350.455 2.326 0 1 FEAF Cc1cn2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)nc2c(C)n1 1857628420 TVJPLGCKQZRBMI-UHFFFAOYSA-N 364.453 2.350 0 1 FEAF O=C(Cn1c(=O)[nH]c2ccsc2c1=O)N1CC=C(c2ccccc2)CC1 4790629 WXUXFMJKKKHXIB-UHFFFAOYSA-N 367.430 2.067 0 1 FEAF CCCC[C@]1(CO)C[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)[C@@H]1O 26000547 BYBAPAFOQSJYFM-GIQWTUBBSA-N 373.493 2.201 0 1 FEAF COc1ccc2c(c1)OC[C@@]1(O)c3ccc4c(c3O[C@@H]21)C[C@H](O)C(C)(C)O4 29042090 QOXFATMGLMTFHP-HFSMHLIXSA-N 370.401 2.483 0 1 FEAF CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)NC1CCCC1)C(C)C 66111850 UHGAHHICNPHEOB-ZBFHGGJFSA-N 355.479 2.476 0 1 FEAF O=C(NN1CCN(C[C@H](O)c2c[nH]c3ccccc23)CC1)c1ccccc1 39219493 DIHVTGOIONWZBT-FQEVSTJZSA-N 364.449 2.164 0 1 FEAF CCc1nc(C(=O)N2CCC[C@@H](C(=O)OCCCCN(C)C)C2)cs1 82069657 DISICFRXOPKLTO-CQSZACIVSA-N 367.515 2.443 0 1 FEAF CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)O 95921197 VDGXZSSDCDPCRF-UHFFFAOYSA-N 360.414 2.069 0 1 FEAF in-vitro CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccnc2)ccc1=O 25408276 LDGXGVOYGPUDSQ-ZBFHGGJFSA-N 352.438 2.447 0 1 FEAF biogenic CCOC(=O)[C@@H]1COC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587617512 PYXFWTYPLGYRID-OWZDWXTDSA-N 370.357 2.302 0 1 FEAF O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)C2)[C@H]1c1ccc(F)cc1 587377540 RZQVYSDVZZUADN-FUHWJXTLSA-N 362.378 2.448 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CCN(S(=O)(=O)C3CC3)CC1)O2 587407503 AHAKISBCVQBZFB-KRWDZBQOSA-N 364.467 2.115 0 1 FEAF C[C@H](Oc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1)C(=O)O 962903143 SZFFESZHHRZAKG-GLZQIGESSA-N 359.353 2.366 0 1 FEAF COC(=O)[C@@]1(CC(=O)c2cn(C)nc2C)NCCc2c1sc(C)c2C 963012804 QXXCLOGLMJPEKA-SFHVURJKSA-N 361.467 2.194 0 1 FEAF CCOC(=O)N1CCc2nc(O)n3nc(-c4ccccc4F)nc3c2C1 13824522 XWOTVUPMCFQMCR-UHFFFAOYSA-N 357.345 2.151 0 1 FEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CC(Nc2cccc(F)c2)C1 1857770522 CSDRXPPPZVNESJ-UHFFFAOYSA-N 350.371 2.039 0 1 FEAF O=C(O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 29042418 DNCXPYGCTRGWJY-UHFFFAOYSA-N 362.349 2.418 0 1 FEAF COc1ccc2c(c1)OC[C@]1(O)c3ccc4c(c3O[C@H]21)C[C@@H](O)C(C)(C)O4 15204413 QOXFATMGLMTFHP-QFUCXCTJSA-N 370.401 2.483 0 1 FEAF biogenic CN(C)C(=O)c1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1 72179886 PNEXUUUIMMQRMT-UHFFFAOYSA-N 358.467 2.214 0 1 FEAF COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2nonc2C)cc1 45258371 QVMAZPPRIYRPAO-HNNXBMFYSA-N 353.382 2.380 0 1 FEAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OC[C@@H]2CCCN2C)co1 82070840 AOGWJYJHTPXHNZ-GJZGRUSLSA-N 371.437 2.406 0 1 FEAF Cc1ccc2[nH]c(-n3cccn3)c(C3=C(Br)C(=O)NC3=O)c2c1 84707794 TXOBASBKGKJADF-UHFFFAOYSA-N 371.194 2.424 0 1 FEAF CC(C)=CC(=O)O[C@H]1CC(=O)[C@@]2(C)[C@@H](O)[C@@H]3[C@H](C)C(=O)O[C@@H]3C[C@@H](C)[C@H]12 238736470 GZJSYCISXGQHLT-NNDIWTESSA-N 364.438 2.038 0 1 FEAF COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3CO)[nH]c2c1 95617655 IGVYIWUGJPECAJ-VWLOTQADSA-N 361.423 2.084 0 1 FEAF endogenous,world COc1nccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586923047 WPOULQGPZSNJMT-UHFFFAOYSA-N 357.435 2.472 0 1 FEAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1[C@@H](O)C(=O)O)[C@@H](C2)C3=O 587455253 KZLHXMGEFAQHLK-NQYLQCIDSA-N 354.358 2.476 0 1 FEAF CCOC(=O)[C@@]1(C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800811 ZNKQKGMMSBLQQE-AYVTZFPOSA-N 358.207 2.470 0 1 FEAF CC1=CC(=O)N(Nc2nc(-c3nnc(C)o3)nc3sc(C)c(C)c23)C1=O 1772579277 JMNWHXUZIAUMJV-UHFFFAOYSA-N 370.394 2.309 0 1 FEAF COc1cc(-c2cnn3c(=O)nc[nH]c23)ccc1[S@](=O)c1ccccc1 13883835 VEJLWJSERUNEJY-SANMLTNESA-N 366.402 2.260 0 1 FEAF COc1cc(OC)c2c(=O)cc(-c3ccc(OC[C@H](O)CO)cc3)oc2c1 169351491 GUNMHXKLVKGEFL-CYBMUJFWSA-N 372.373 2.209 0 1 FEAF Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccnc2)cc1C 201448919 RIAKHMCCKURDAM-QGZVFWFLSA-N 359.451 2.490 0 3 FEAF CN(C)C[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 103284824 AJMHCOJNYWOETP-ZDUSSCGKSA-N 355.438 2.423 0 1 FEAF CN1CCN(c2ccc(S(=O)(=O)Oc3cccc(F)c3)cc2)C1=O 118390162 NZCKUYVSNAOHBF-UHFFFAOYSA-N 350.371 2.465 0 1 FEAF O=C(CCN1CCN(c2ncccn2)CC1)NC12CC3CC(CC(C3)C1)C2 53023022 SBZMWPWEGHYHEQ-UHFFFAOYSA-N 369.513 2.074 0 1 FEAF COc1ccc(NC(=O)Nc2c(C)[n+]([O-])c3ccc(OC)cc3[n+]2[O-])cc1 102075484 FUGCJOACXQHMQO-UHFFFAOYSA-N 370.365 2.076 0 1 FEAF O=C(Nc1cccc(Cl)c1)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 61906760 FWGIZOYCJYMYEK-GARJFASQSA-N 370.818 2.019 0 3 FEAF C[C@H](Nc1ncc(F)c(Nc2cc(N(C)C)[nH]n2)n1)c1ncc(F)cn1 66099650 UGAAPUDPSIDFJZ-QMMMGPOBSA-N 361.360 2.251 0 1 FEAF c1cc([C@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@@H]3C2)ccn1 22457902 PFZHYLNVIWHQFX-RTBURBONSA-N 367.501 2.443 0 3 FEAF NC(=O)c1ccc(N2CCC(Oc3cc(F)ccc3Cl)CC2)nn1 28655366 RCJAVCRBUKQGIK-UHFFFAOYSA-N 350.781 2.416 0 1 FEAF COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](NCc4ccco4)CO[C@@H]23)cc1 2356859055 SQMHTEDCPFUQSJ-TVFCKZIOSA-N 374.393 2.161 0 1 FEAF O=C(NC1CCCCC1)N[C@@H]1CO[C@@H]2[C@@H](OCc3ccccc3)CO[C@@H]21 2356859112 SRFFDAGXVOLJMD-FCGDIQPGSA-N 360.454 2.370 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H](CO)CC(C)C 82198575 QEJDHXPCFIAKER-JADHDSHVSA-N 368.518 2.262 0 1 FEAF N[C@@H](Cc1c(C(=O)O)noc1CCc1cccc2ccccc12)C(=O)O 45337016 WUZQANMQCPOBRP-HNNXBMFYSA-N 354.362 2.266 0 1 FEAF CCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)C[C@H](C(C)C)N2 82206167 MVPBJMISTINXRS-MRXNPFEDSA-N 372.469 2.491 0 1 FEAF C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 95675520 PHXITHQOKRDDQC-DQEVTTJGSA-N 374.481 2.079 0 1 FEAF Cn1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)c1 96175536 MIELDUFNMQGWPG-UHFFFAOYSA-N 374.408 2.374 0 1 FEAF COC(=O)[C@]1(c2cc3ccccc3[nH]2)C[C@H]2CN[C@H]1[C@H]1OC(C)(C)O[C@@H]21 299848165 JHVNRJMXZHAOAP-DTDKCHBMSA-N 356.422 2.091 0 1 FEAF COc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cn1 586928762 JUGLWTSVIBXMDB-UHFFFAOYSA-N 366.830 2.441 0 1 FEAF CN1CCCC[C@@H]1c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1 14210468 KPXYCCGYCRCUCJ-CYBMUJFWSA-N 360.389 2.114 0 1 FEAF CCCCNC(=O)NS(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1 169336386 RYJDIBUXWJPJDP-UHFFFAOYSA-N 350.444 2.277 0 1 FEAF Nc1ncnc2ccc(-c3cc(F)cc(NC(=O)CN4CCCC4)c3)nc12 169341885 VHDOJOVCAVZTRK-UHFFFAOYSA-N 366.400 2.447 0 1 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@H]4CCN(C)C4)c(=O)n1c23 1857549497 ORZMLPVPMITQBR-NWDGAFQWSA-N 373.428 2.035 0 1 FEAF O=C(OCCN1CCOCC1)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 1488547 TXDBBMPEVPGDTD-UHFFFAOYSA-N 371.220 2.324 0 1 FEAF CCOC(=O)c1cnn(C[C@H](C)O)c1NC(=O)Nc1ccc(F)cc1 40876011 ZOERPVMMWZPYGS-JTQLQIEISA-N 350.350 2.224 0 1 FEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 100829355 YOQIGAVHLYFIAF-FVKKMSJTSA-N 364.438 2.243 0 1 FEAF endogenous,in-man N[C@@H](Cc1ccc(O)cc1)C(=O)NCC12C[C@H]3C[C@H](C1)CC(C(=O)O)(C3)C2 101489516 MUFXIMBYDBJGBL-HOMDXJCOSA-N 372.465 2.049 0 1 FEAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@H](O)[C@@]13C[C@H](CC[C@@H]21)[C@@](O)(CO)C3 102975852 DJQLZKDZWLXHRN-VMGBWFIJSA-N 352.471 2.178 0 1 FEAF Cc1cc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)ncc1[N+](=O)[O-] 141996173 CCNHWVJXLXJKFD-GFCCVEGCSA-N 353.386 2.285 0 1 FEAF COc1cc2c(cc1O)-c1c3c(c(OC)c4c1[C@@H](C2)N(C=O)CC4)OCO3 238753784 OZSGJODEHSOWQG-CYBMUJFWSA-N 369.373 2.417 0 1 FEAF COc1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Cl 587203938 NSGSAJYMXKIWJQ-GFCCVEGCSA-N 352.822 2.304 0 1 FEAF O=C(c1nnc(O)c2ccccc12)n1ncc2ccc(Cl)cc2c1=O 587652181 NLNHOBWDTGOTKZ-UHFFFAOYSA-N 352.737 2.387 0 1 FEAF COC(=O)[C@H]1CC[C@@]2(CC1(C)C)N[C@H](C(=O)O)Cc1cc(C)c(O)cc12 963493383 VWFMUBVDEBXQTN-AFBRZQFHSA-N 361.438 2.494 0 1 FEAF CC(=O)O[C@@H]1CC=C(C)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@]21C 2356329688 KCTHTUFPZVGRQO-DRJLFJKZSA-N 350.411 2.404 0 1 FEAF O=C(N[C@@H]1[C@H](c2ccccc2)C[C@@H](O)[C@H]1O)c1nc2ccccc2s1 2356332140 BNVWVPTZUKZRAB-LBRJOISOSA-N 354.431 2.304 0 1 FEAF Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)N2CCOCC2)o1 3006101 SRKVVRKFUKYFSA-UHFFFAOYSA-N 363.435 2.175 0 3 FEAF c1cc([C@@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@H]3C2)ccn1 1336146 PFZHYLNVIWHQFX-OALUTQOASA-N 367.501 2.443 0 3 FEAF CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2CC(=O)N1CCCc2ccccc21 100984088 GQDUBRJIZQZKDI-OALUTQOASA-N 355.482 2.487 0 1 FEAF C[C@@]1(C(=O)O)[C@H]2CC[C@@H]3C[C@H]4C[C@]3(CC[C@]4(O)C(=O)O)[C@]2(C)CC[C@H]1O 2356324903 LYFNKMIDRMKGMD-QBLCVNPMSA-N 366.454 2.270 0 1 FEAF COCCNC(=O)[C@@H]1CCCN(C(=O)c2nc3ccccc3s2)CC1 61907928 FLLDJKJLPQRPHW-CYBMUJFWSA-N 361.467 2.301 0 3 FEAF CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@H]2CN(C3CCC3)CCN21 2356607211 QOFCWFOZADXGEI-QGZVFWFLSA-N 363.527 2.008 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(O)C[C@]12O 2356645645 YJYOZSCSGANKMP-ARJZSMIGSA-N 364.438 2.387 0 1 FEAF CC=C1CN(C)C[C@]2(C(=O)OC)[C@H]1CC(=O)c1[nH]c3ccccc3c1[C@@H]2O 2356694845 KYZVNPNCPMAADF-JBYOLUDKSA-N 368.433 2.455 0 1 FEAF COc1ccc(-c2cc3c([nH]2)C(=O)NCC/C3=C2/NC(=N)N=C2O)cc1 73198077 ZUTGBHKZCBYQAK-KAMYIIQDSA-N 351.366 2.029 0 1 FEAF C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccccc3)c(=O)n21 82210793 CRFPMGHCJIMNGE-CYBMUJFWSA-N 352.394 2.250 0 1 FEAF CN(C)CCOC(=O)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 82084948 MFSHSHOSASGZIJ-UHFFFAOYSA-N 367.858 2.298 0 1 FEAF C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccsc3)c(=O)n21 82211008 KAUNDQWLGMRFQR-NSHDSACASA-N 358.423 2.311 0 1 FEAF O=c1[nH]c2ccc(OC3CCN(CCO)CC3)cc2c2c1CSCC2 49112343 ONOVMGPPBFMPEH-UHFFFAOYSA-N 360.479 2.153 0 1 FEAF c1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cc(NC2COC2)n1 96176008 LZXHBDQUXORYPZ-UHFFFAOYSA-N 366.421 2.196 0 1 FEAF COC(=O)[C@]12C[C@@H]3CN(CCc4c1[nH]c1ccccc41)[C@H]2C[C@H]3[C@H](C)O 238764782 MUQIJJGJDAUUMI-LEZVPBBQSA-N 354.450 2.226 0 1 FEAF CC(=O)Oc1ccc2c3c1O[C@@H]1[C@H](OC(C)=O)CC[C@@H]4[C@@H](C2)N(C)CC[C@]314 261141082 NCXVKLDKUADJPV-PFIKMOSVSA-N 371.433 2.213 0 1 FEAF in-vitro COc1ccc([C@@H]2CCN[C@@H]3[C@H]2C(=O)NC(=O)N3Cc2ccco2)cc1 618011898 ORRKKGFYMWJWSW-ULQDDVLXSA-N 355.394 2.059 0 1 FEAF C/C=C1/CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@@]4(CO)C(=O)OC 263638837 XLHUHYFKFFGUFE-FXUYOSTLSA-N 352.434 2.216 0 1 FEAF COC(=O)[C@](C)(O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810225 UFELMDONYOGOSD-YIUPMNOESA-N 360.223 2.262 0 1 FEAF CCc1cc(O)nc(SCc2nc3c(S)nc(S)nc3[nH]2)n1 586967059 SSPJFMIETZPFNH-UHFFFAOYSA-N 352.470 2.281 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CCO[C@H]2C3)N1 587795926 YULIVXUCQOTHJI-AKWBHNSASA-N 355.251 2.422 0 1 FEAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1NC(=O)C=C(C(F)(F)F)N1)CC2=O 587464671 VRMIMMMYFZANPC-LRDDRELGSA-N 370.327 2.170 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 586886287 OXDMFFYLVPLMAK-AGIUHOORSA-N 359.451 2.452 0 1 FEAF COC(=O)c1occc1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228959 PENHFCZTTUOSRT-JKSUJKDBSA-N 352.346 2.303 0 1 FEAF O=S(=O)(c1cc(F)c(F)c(F)c1)N1CCC2(CC1)OCCS2 1857543381 HOZSWRSBKAHQSW-UHFFFAOYSA-N 353.387 2.348 0 1 FEAF O=C(O)CSC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1 1772643953 PRPHFDLZLIQMOX-INIZCTEOSA-N 357.431 2.301 0 1 FEAF Cn1ncc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1 169708474 RHOCNDGDVTUWRH-JNHRWOMLSA-N 365.409 2.128 0 1 FEAF C=CC(=O)Nc1cccc(Cn2nc(Br)c3c(N)ncnc32)c1 1857618814 VYFMPYQADWSUHP-UHFFFAOYSA-N 373.214 2.344 0 1 FEAF Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(C)(=O)=O)cc1F 3894659 SLSPEVODIDKWJA-KRWDZBQOSA-N 362.426 2.459 0 1 FEAF C[C@@H](OC(=O)CNC(=O)c1cccc(F)c1)C(=O)N[C@@H]1CCCC[C@H]1C 7564183 PDFSMQHQCAYHGT-XJKCOSOUSA-N 364.417 2.182 0 1 FEAF O=C(N[C@@H]1[C@H](c2cccnc2)C[C@@H](O)[C@@H]1O)c1cc2ccccc2s1 2356287932 SGBOHKMOXFTOJZ-JFTQMJAMSA-N 354.431 2.304 0 1 FEAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4C[C@@H]3CN4)cc21 100773634 RYQSZLBAAXBMHA-WDEREUQCSA-N 359.401 2.144 0 1 FEAF CO[C@]12CC[C@]3(C)[C@H](CC[C@@]45C[C@@H](CC[C@@H]43)[C@@](O)(CO)C5)C1=CC(=O)N2 2356543308 KTNZRKKLKVMLHB-YTPNPBINSA-N 361.482 2.125 0 1 FEAF CC(C)=CC(=O)O[C@@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 2356683132 ILKRCFPIERWOTH-JIPAJGMOSA-N 364.438 2.387 0 1 FEAF CC[C@H](C)[C@@H](CO)NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 2356761672 UQCZEHKQCMVYET-WCQYABFASA-N 365.426 2.038 0 1 FEAF Cc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)c1 39024292 CHKWABXWPATIIG-UXHICEINSA-N 365.477 2.172 0 1 FEAF in-vivo C[C@@H]1C(=O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 95912784 DLRAPJNZWMSBAN-NXWMFKFLSA-N 352.471 2.425 0 1 FEAF biogenic,in-vitro Cc1ncsc1CN1C[C@H]2COC[C@@]2(CNC(=O)c2ccccc2)C1 299843533 TVQROIAITPJBTC-QFBILLFUSA-N 357.479 2.330 0 1 FEAF Nc1nc(C(=O)NCc2cccc3c2OCCN3)c2cccc(F)c2n1 653793825 DGCHPJZKYSTJRK-UHFFFAOYSA-N 353.357 2.085 0 1 FEAF CCS(=O)(=O)c1ccccc1-c1nc2c(S)nc(S)nc2[nH]1 586921970 IWBQMISTFHOBHJ-UHFFFAOYSA-N 352.466 2.391 0 1 FEAF COC(=O)c1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cn1 587132009 ZVDLFYOAPNYJAK-UHFFFAOYSA-N 353.325 2.363 0 1 FEAF c1ccc(C[C@@H]2N[C@H](c3nc4ccc(-n5cnnn5)cc4[nH]3)CS2)cc1 587042639 VAKSGWCKXNLYKW-DLBZAZTESA-N 363.450 2.485 0 1 FEAF C[C@@H](CO)NCCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772609346 GNQVFFMDZVVTEH-LBPRGKRZSA-N 371.389 2.220 0 1 FEAF CS(=O)(=O)c1ccc(CCCC[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 101641726 AJZDBNNPUBEHII-KDYLLFBJSA-N 356.440 2.267 0 1 FEAF NC(=O)c1cc(OCCNC[C@@H](O)CCCCc2ccccc2)ccc1O 27986271 XACWBDUUAGRSGA-KRWDZBQOSA-N 372.465 2.233 0 1 FEAF C[C@]12CCCC(CO)(CO)[C@@H]1CC[C@H](CO)[C@@H]2CCC1=CCOC1=O 6200072 ISJXTDPNEXILTC-SFNKJDCFSA-N 352.471 2.046 0 1 FEAF biogenic NC[C@H]1CNC(=O)c2cc(-c3ccnc(-c4cnc5ccccc5c4)c3)nn21 71333263 ZAVPLUDVERDQKO-INIZCTEOSA-N 370.416 2.404 0 1 FEAF O=C(C1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F 95667655 PWZUSQLFFRQDIV-CVEARBPZSA-N 368.399 2.390 0 1 FEAF CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](OC(=O)CC(=O)OCC(F)(F)F)C1 61947080 HSUZXGUKFHNNAU-VHSXEESVSA-N 367.320 2.247 0 3 FEAF biogenic CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H](O)[C@H]1c1ccccc1 653916397 POYAJDDYGXABIN-QRVBRYPASA-N 353.418 2.353 0 1 FEAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(N)ncc4[nH]3)cc12 587037654 MFFWNVHFBPEFMC-MRVPVSSYSA-N 355.427 2.288 0 1 FEAF COC(=O)C[C@]1(c2cc3ccccc3oc2=O)NCCc2ccc(O)cc21 963350204 AFFQLAHIEIOVIK-NRFANRHFSA-N 365.385 2.451 0 1 FEAF Cc1ccc(-c2cnnc(NCc3ccc4c(c3)n(C)c(=O)n4C)n2)o1 12471364 OCDWFOQNINSVAY-UHFFFAOYSA-N 350.382 2.243 0 1 FEAF COc1ccc(OCc2nc(NC(=O)NN3CCOCC3)cs2)cc1 13553613 CLIYVJJZDPMUJQ-UHFFFAOYSA-N 364.427 2.099 0 1 FEAF O=C(c1ccc2c(c1)OCO2)[C@H]1CO[C@H](c2ccc3c(c2)OCO3)[C@H]1CO 14435830 RZIWMSJDPYUACC-PJSUUKDQSA-N 370.357 2.323 0 1 FEAF endogenous,in-man O=c1[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c2c1-c1ccccc1 204404479 UFZXMXFFQFAAAU-UHFFFAOYSA-N 361.357 2.421 0 1 FEAF Cn1ncc(C(=O)O)c1C(=O)Nc1ccc2nc(-c3ccccc3)nn2c1 205030319 QXZZHVXOVMVDPC-UHFFFAOYSA-N 362.349 2.080 0 1 FEAF CCOC(=O)CCCSc1nnc2n1-c1ccccc1-n1cnnc1-2 1857775248 DOXAVDDQGHXJAP-UHFFFAOYSA-N 356.411 2.264 0 1 FEAF O=P(O)(O)C(Nc1cccc(Cc2ccccc2)c1)P(=O)(O)O 13643242 YHULOHQSMAHDCH-UHFFFAOYSA-N 357.239 2.328 0 1 FEAF Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2cc(C)on2)CC1 4375572 IBPRWNSCIHQZEP-UHFFFAOYSA-N 354.414 2.312 0 3 FEAF O=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 4919436 PZXMVRHABPPSDH-HNNXBMFYSA-N 365.499 2.321 0 1 FEAF CO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(OC)c(OC)c(OC)c1 104091777 MSFGCZCGASVVSL-UMWKZLPKSA-N 360.370 2.415 0 1 FEAF O=C(O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 28109971 VPOOWZLOGKXBEH-INIZCTEOSA-N 357.431 2.415 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)O 2356562241 QVVXWHIDRKRPMO-WSRJKRBPSA-N 370.486 2.446 0 1 FEAF Cc1cc2cc3c(c(O)c2c(O)c1[C@H](C)O)C(=O)[C@](C)(O)C(=O)C3(C)C 2356659945 YVDOHZGVZDOOCW-LXGOIASLSA-N 358.390 2.407 0 1 FEAF Cn1c(N2CCN[C@@H](c3cccc(F)c3)C2)nc(-c2ccncc2)cc1=O 34409764 DJMJEGQJWVSHQL-GOSISDBHSA-N 365.412 2.132 0 1 FEAF CN(C)C[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O 49111885 KEQORMMUOMSYLY-INIZCTEOSA-N 361.467 2.202 0 1 FEAF COc1cc(O)c2c(c1)OC[C@]1(Cc3c1cc(OC)c(OC)c3OC)C2=O 238787264 RWSCIOKDSXDRFY-FQEVSTJZSA-N 372.373 2.496 0 1 FEAF COC(=O)[C@H]1OCC(C)(C)[C@]12NCCc1cc3cccc(OC)c3nc12 963046556 KORSBFWOVRLDRK-YLJYHZDGSA-N 356.422 2.182 0 1 FEAF CC(=O)N1CCCc2cc(-c3cncc([C@@H](C)NS(C)(=O)=O)c3)cnc21 1772581044 DETSIOWTJUFTGL-GFCCVEGCSA-N 374.466 2.053 0 1 FEAF O=[S@@](Cc1ccccc1N1CCOCC1)c1nccn1-c1ccccn1 13746269 HSFJYWJTQZKKPT-AREMUKBSSA-N 368.462 2.412 0 1 FEAF CCN(CC)CCCN1C(=O)C[C@H]2C(=C(N)Oc3ccc(C)cc32)C1=O 206391334 SLODKPLQAOPKCZ-OAHLLOKOSA-N 357.454 2.132 0 3 FEAF CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)CCCc2cn[nH]c2-3)C(=O)O1 28949255 ODADOCRYUSUKHH-AWEZNQCLSA-N 358.373 2.166 0 1 FEAF CC(C)Nc1nc(-c2ccc(C(=N)NO)cc2)cc2ncn(C)c(=O)c12 115624999 WHQIGRSFSMMFKS-UHFFFAOYSA-N 352.398 2.120 0 1 FEAF COc1cc2c(cc1O)OC[C@@H](c1cc(O)c(OC)c(OC)c1O)[C@@H]2O 2356459417 KUHHMUVZOXYVFV-ZUZCIYMTSA-N 364.350 2.039 0 1 FEAF CN(C)CCN(C)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 2356850294 PPDDXWRFNPNLKE-NLWGTHIKSA-N 373.545 2.012 0 1 FEAF COc1ccc(CCNC[C@H](O)COC(=O)c2ccc(C)cc2)cc1OC 25971524 WRRASIKGHQTERO-SFHVURJKSA-N 373.449 2.362 0 1 FEAF CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OC)c(OC(C)C)c1 38345360 XNNHWNQIKUKNNJ-ZDUSSCGKSA-N 364.442 2.247 0 1 FEAF CC[C@H](CO)NC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO 72176427 HFPFKSNXDJLDLO-LLVKDONJSA-N 358.316 2.353 0 1 FEAF O=C([C@@H]1C[C@H](Oc2cccc(F)c2)CN1)N1CCCN(C2CCC2)CC1 72141432 XAQNCLSQQYEQMI-OALUTQOASA-N 361.461 2.022 0 1 FEAF O=C1OCC2=C1[C@@H](c1ccccc1)c1cc3c(cc1N2CCO)OCO3 198345067 MGBUUFXJDUAAKU-SFHVURJKSA-N 351.358 2.170 0 1 FEAF CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1CC(=O)NCCN(C)C 25429353 OZPANGUUEYKGPA-DOTOQJQBSA-N 363.477 2.382 0 1 FEAF biogenic COc1cc(/C=C/C(=O)N2CCN(c3ccccn3)CC2)cc2c1OCO2 95564329 SLQPFNRVJJAVLU-AATRIKPKSA-N 367.405 2.181 0 1 FEAF CCc1[nH]c2nc(Oc3cncnc3)nc(N3C[C@H]4[C@@H](N)[C@H]4C3)c2c1Cl 263621319 YZRGALHCPBRTES-WDAIWFPHSA-N 371.832 2.149 0 1 FEAF in-vitro CN(C)c1ccc(C(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCCC2)cc1 43526962 NZMBDUUBCDRYKW-SVFBPWRDSA-N 370.541 2.289 0 1 FEAF biogenic CCOC(=O)C(C(=O)OCC)[C@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 587401242 URERFPKSRIAJAM-IBGZPJMESA-N 363.410 2.434 0 1 FEAF COc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)n1 587747655 RAQSNAAGNGQOKZ-WPPNPWJKSA-N 367.222 2.593 0 1 FEAF NS(=O)(=O)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 587177817 AXGADZCAYWHYFF-UHFFFAOYSA-N 371.191 2.174 0 1 FEAF CCOC(=O)c1[nH]cnc1[C@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732219 YHERCLPTAVFBJI-RYUDHWBXSA-N 367.327 2.322 0 1 FEAF CC[C@H]1[C@@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F 27408892 IIVDVROKGKVRAD-STQMWFEESA-N 363.364 2.239 0 1 FEAF CC=C1CN2CC[C@@]34c5ccccc5N(C)[C@@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@@H]25 2356608169 HAGBWVNSVWLTKY-VJMBVAOUSA-N 366.461 2.314 0 1 FEAF COc1cc([C@@H](O)[C@H](CO)Oc2ccc(CCCO)cc2C)ccc1O 2356640113 PHIVNUJAJIMVQE-VQTJNVASSA-N 362.422 2.107 0 1 FEAF Cc1cc(NCc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1 38443073 UBJVUQITODDUCW-UHFFFAOYSA-N 350.422 2.452 0 1 FEAF CC(C)(O)[C@@H]1CC[C@H]([C@@H]2CC[C@H](CCCC3=CC(=O)O[C@@H]3O)CO2)CO1 13456233 CBCBSGOYCHYUBI-QCGYCXEESA-N 368.470 2.320 0 1 FEAF biogenic CCN1CCC(NC(=O)c2ccc(C(F)(F)P(=O)(O)O)cc2)CC1 49021649 KZGBPEWCSDNVFF-UHFFFAOYSA-N 362.313 2.128 0 1 FEAF CCCCOC(=O)COC(=O)[C@@H](NC(=O)c1csc(CC)n1)C(C)C 82070360 LMCVVQQSEIJJLA-HNNXBMFYSA-N 370.471 2.346 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@@H]2CNC(=O)Cc2ccccc2)cc1 95871658 ZHPOMBFBFIWBII-ZDIIRZMASA-N 350.462 2.495 0 1 FEAF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C 257694456 YOQIGAVHLYFIAF-SIBVPPAQSA-N 364.438 2.243 0 1 FEAF endogenous,in-man CCCOC(=O)[C@H](Cn1ccnc1)NC(=O)c1nc2ccccc2s1 473081733 CXWJGKXICVVWEZ-ZDUSSCGKSA-N 358.423 2.245 0 1 FEAF NS(=O)(=O)c1ccc(F)c(-c2nc3cncc(Br)c3[nH]2)c1 587141770 BRJKNXPIXAWSBX-UHFFFAOYSA-N 371.191 2.174 0 1 FEAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587051418 XEXOHEKXGDBJMU-UHFFFAOYSA-N 364.814 2.489 0 1 FEAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(O)nc(N)nc2[nH]1 587044429 BEYVHXAJBVXHJG-UHFFFAOYSA-N 356.169 2.632 0 1 FEAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(N)ncc2[nH]1 587181900 HHTCHYGITVKYMJ-ZETCQYMHSA-N 368.182 2.259 0 1 FEAF COc1cc2c(cc1Cc1ccccc1)C[C@H](N)C(=O)N2OC(=O)N(C)C 146490138 PEGYVOFFSHOOPP-INIZCTEOSA-N 369.421 2.116 0 1 FEAF OC[C@H]1O[C@@H](n2cnc3cc4cc(Cl)c(Cl)cc4cc32)[C@H](O)[C@@H]1O 5932825 HEBAESRDPFMSOL-KLHDSHLOSA-N 369.204 2.108 0 1 FEAF COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2cccnc2)O3)nn1 12021030 VCCBICZEWXVUTN-MRXNPFEDSA-N 362.389 2.281 0 1 FEAF COc1cc(O)c2c(c1OC)O[C@H](c1ccccc1OC(C)=O)[C@H](O)C2=O 14643380 AOIYAWYKBDWNBB-IAGOWNOFSA-N 374.345 2.012 0 1 FEAF biogenic O=S(=O)(c1ccc(F)cc1)N1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 169303809 PIONSLKGVXUVDT-ARFHVFGLSA-N 350.459 2.344 0 1 FEAF NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1 169307864 HZPQKJQPNSWLOU-UHFFFAOYSA-N 369.855 2.114 0 1 FEAF COc1cc(-c2cc([C@@H]3CCCNC3)n3ncnc(N)c23)cc(F)c1CO 206411055 DXSHKFJMROBTDG-LLVKDONJSA-N 371.416 2.086 0 1 FEAF COC(=O)c1ccc(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)cc1 64559158 YOUVIGDQXAQLGK-UHFFFAOYSA-N 373.319 2.357 0 1 FEAF CN(CCCO)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12 113651679 HYJBOSPTEVPRMS-UHFFFAOYSA-N 359.817 2.454 0 1 FEAF CC(=O)NCCn1c(-c2ccccc2)nc2c(NCC3CC3)ncnc21 82179758 OVIZJEWKPUWJLN-UHFFFAOYSA-N 350.426 2.451 0 1 FEAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NC[C@@H]1CCCO1 82203333 JLNGLXXJNDHJGQ-INIZCTEOSA-N 354.458 2.098 0 1 FEAF O=S(=O)(NCCc1nc2cc(Cl)ncc2[nH]1)c1ccc(Cl)nc1 586943177 XKUUIRYRTANEJL-UHFFFAOYSA-N 372.237 2.181 0 1 FEAF Nc1nc2cc(Br)cc(-c3ccc4c(O)nc(O)nc4n3)c2o1 587366832 QOFIQPNVQFVBJF-UHFFFAOYSA-N 374.154 2.589 0 1 FEAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(N)ncnc2[nH]1 587114218 XMOIMCOCTYDVSH-OAHLLOKOSA-N 364.331 2.354 0 1 FEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 586945575 IUPTWQYPHDEAGG-UHFFFAOYSA-N 367.358 2.018 0 1 FEAF CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccnc(N4CCNCC4)c3)cc21 205099532 IXOHJAJRAOXJRR-UHFFFAOYSA-N 374.448 2.369 0 1 FEAF CC(=O)N1CCC(N2C[C@H](F)[C@H](OCc3nc4ccccc4o3)C2)CC1 2356367863 JIAOQPNLCIXOKU-MAUKXSAKSA-N 361.417 2.378 0 1 FEAF CC(=O)N1C[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@@H](C1)N2C 100829971 MTXRPDMJUTTWPL-IRXDYDNUSA-N 370.497 2.187 0 1 FEAF CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1cccc(F)c1 27310455 JPSWAPMQXLKILU-ZIAGYGMSSA-N 367.398 2.122 0 1 FEAF COc1cc(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)ccn1 117689505 IGJVUIUYHUKAST-UHFFFAOYSA-N 350.378 2.431 0 1 FEAF CC(C)[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](N3CCCC3)C(=O)N21 26958783 REGWEEZJIMKJBJ-YTQUADARSA-N 366.465 2.170 0 1 FEAF CC(=CCc1c(O)cc(O)c2c1OC[C@@H](c1ccc(O)cc1O)C2=O)CO 2356624964 VNIOZYSNZVSDPU-AWEZNQCLSA-N 372.373 2.349 0 1 FEAF COC(=O)[C@]1(O)C[C@]2(C(C)=O)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 14829325 VLNTZJVJKUHBHN-HLAWJBBLSA-N 368.433 2.132 0 1 FEAF biogenic Cc1c([C@H]2NS(=O)(=O)c3ccccc32)c2ccccc2n1CC(=O)O 49055228 ZXPMFGVQZOZWQX-SFHVURJKSA-N 356.403 2.416 0 1 FEAF CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 95871455 XKQHUHPFRGDKHZ-VWPQPMDRSA-N 364.445 2.179 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](C(=O)O)NC2)N1 587799422 WZGBNMVWBBWUKQ-AFEMSUNCSA-N 357.223 2.154 0 1 FEAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(S(C)(=O)=O)cc2[nH]1 587223779 GBSBHYVQJLUROC-GFCCVEGCSA-N 373.434 2.050 0 1 FEAF CC[C@@]1(c2cccc(C)c2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963220175 MKLVVVWQKSSEQT-XGHQBKJUSA-N 364.449 2.130 0 1 FEAF CCCN1CC[C@H](Nc2ncnc3c2nc(-c2cnn(CC)c2C)n3C)C1 220331887 NPFRPNVUOVEAIU-AWEZNQCLSA-N 368.489 2.451 0 1 FEAF CSCCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cccc1N2 13493550 IFZDZYMEXBLWFK-UHFFFAOYSA-N 352.435 2.248 0 1 FEAF O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1nccs1 150338580 ZMRRWMLGIBHURV-UXOAXIEHSA-N 359.451 2.449 0 1 FEAF Cc1ccccc1N1CCN(CCCn2c(O)c3n(c2=O)CCCC3)CC1 169716680 DDBNNLXSSGRJNE-UHFFFAOYSA-N 370.497 2.212 0 1 FEAF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F 1857575076 WPODRWWBWGSTAR-QMMMGPOBSA-N 358.266 2.209 0 1 FEAF CC(C)CN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356351454 XWBYDIRYYVNTEF-CUDHKJQZSA-N 373.472 2.429 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@@H]1CCCc2ccccc21 3660565 LUYDYUNUZBCJEW-FXRFXEHHSA-N 364.445 2.377 0 1 FEAF COc1ccccc1O[C@@H]1CC[C@@H](NC[C@@H]2COc3ccccc3O2)[C@@H]1O 27419712 VEWHQFCTRYPEDT-LYDRAKHJSA-N 371.433 2.396 0 1 FEAF COc1cc(O)c2c(c1)[C@H](O)[C@H]1CC[C@@H](O1)[C@@H](O)CCC[C@@H](C)OC2=O 2356721030 QSSWIPLGEQHZBQ-SJLAZSSXSA-N 366.410 2.072 0 1 FEAF Cc1cc([C@@]2(c3cccc(-c4cncnc4)c3)NC(=N)N(C)C2=O)cc(C)n1 34804851 AZEJJBDMXZISKY-OAQYLSRUSA-N 372.432 2.395 0 1 FEAF CCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)c(F)c1 49088851 SMCAMLBVPBWGKN-MRXNPFEDSA-N 363.366 2.290 0 1 FEAF CCNc1ncc(N2CC(Oc3ccc([C@@H](C)NC(C)=O)cc3)C2)cn1 142226788 KZJAAXGHSBEUKO-CYBMUJFWSA-N 355.442 2.373 0 1 FEAF COc1ccc2c3c1O[C@@H]1C(=O)CC[C@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314 253701883 ZBAQMFALLMLPSC-GFRNBQLOSA-N 369.461 2.219 0 1 FEAF COc1cc(C)ccc1S(=O)(=O)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 263590291 IQKHAZFXLDBGDT-WBVHZDCISA-N 372.446 2.427 0 3 FEAF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC(=O)N3C[C@@H]2OC 85730428 GGVTWFRUJRJVGT-GMVOTWDCSA-N 357.406 2.344 0 1 FEAF biogenic CCS(=O)(=O)NCCCc1nc2cccc(OC(F)(F)F)c2[nH]1 586942813 PBKFZNGVIKPPSJ-UHFFFAOYSA-N 351.350 2.333 0 1 FEAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cnc(Cl)[nH]c-2n1 587193890 HULZKVPSJXJGMZ-VIFPVBQESA-N 354.842 2.475 0 1 FEAF CN(C)CCCNC(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166758640 MTLUZHRCAWSVJV-UHFFFAOYSA-N 367.453 2.311 0 1 FEAF Cn1nc(C(=O)NC2CCCCC2)c2c1-c1ccccc1S(=O)(=O)C2 6839498 WRMHVRUPQLLUSX-UHFFFAOYSA-N 359.451 2.437 0 3 FEAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2cccc(F)c2)n1 2356289144 QPJSGGISRHAMEB-NMLBUPMWSA-N 373.472 2.429 0 1 FEAF O=C(CNC(=O)c1ccccc1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 28389392 WBUMADZHUWSXGU-SFHVURJKSA-N 371.868 2.461 0 1 FEAF COc1ccc([C@H]2[C@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 26163918 GGHZFSBKUGDMDX-IRXDYDNUSA-N 359.378 2.170 0 1 FEAF CC(=O)c1cccc(-c2cccc(CNC(=O)C3=C(O)C(=O)N(C)C3)c2)c1 219138729 VEYMHFWYQUTTKV-UHFFFAOYSA-N 364.401 2.457 0 1 FEAF COc1cc2nc(NC[C@H]3CCCO3)nc(NC[C@H](C)O)c2cc1OC 82129823 DPYSTAMMPMCRIT-NWDGAFQWSA-N 362.430 2.031 0 1 FEAF CCCCNC(=O)[C@@H](C)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82083250 YGHNAJWMWGVZDK-LLVKDONJSA-N 359.382 2.105 0 1 FEAF Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)OC[C@@H]2CCCN2C)co1 82074055 FCONTSVCJRUDGR-HNNXBMFYSA-N 371.437 2.359 0 1 FEAF COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C=O)cc1 96907238 LUQXMYDFADBGHH-UHFFFAOYSA-N 357.391 2.008 0 1 FEAF O=C1c2ccccc2S(=O)(=O)[C@@H]2c3[nH]c4ccc(O)cc4c3CCN12 473090248 NLFBMAKZZRTFTI-GOSISDBHSA-N 354.387 2.358 0 1 FEAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(=O)OC)nc2[nH]1)C(C)C 586933437 RNLNLAFUJFGADV-ZDUSSCGKSA-N 368.459 2.161 0 1 FEAF CCOc1cc(CNC(=O)CC)ccc1OC[C@H](O)CNC(C)(C)C 169335446 BJBHXJBTKBZUJW-OAHLLOKOSA-N 352.475 2.239 0 1 FEAF COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(I)cc1 28714340 MXCAKGCIGZRYGJ-QWHCGFSZSA-N 359.207 2.500 0 1 FEAF C/C=C1\[C@H]2C[C@H]3[C@@H]4Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O 100198728 DRMGJVPVCAJMDJ-HBTLHDKDSA-N 352.434 2.021 0 1 FEAF in-vitro O=C(O)c1cc(CN2CCC(c3ccncn3)CC2)c2ccccn2c1=O 66078997 CNAXKEYMJWHTAS-UHFFFAOYSA-N 364.405 2.167 0 1 FEAF COc1ccc(N2C(=O)[C@H]3NCC[C@H]3N(Cc3ccccc3)C2=O)cc1 4236394 GUXCBCGANTVRFP-MSOLQXFVSA-N 351.406 2.395 0 1 FEAF biogenic CCCC(=O)O[C@@H]1C[C@]23OC(=O)C[C@]2(C[C@@]2(O)OC[C@]3(C)[C@@H]2C)[C@@H]1C 32297049 BPFIEMBUQXGEAE-YMHKSCFQSA-N 352.427 2.175 0 1 FEAF C[C@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 33956022 WTJYDBMHYPQFNJ-AABZDHBYSA-N 368.470 2.222 0 1 FEAF COc1cc2oc(C)cc(=O)c2c(O)c1COC(=O)/C=C(\C)CC(=O)O 238778773 JSLBEJMNMZJONS-WEVVVXLNSA-N 362.334 2.280 0 1 FEAF CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)C4=Nc5ccccc5[C@]4(O)CCN(C2=O)[C@@H]13 238758370 FCRGUGMZWUACLY-ZPUZXVARSA-N 368.433 2.170 0 1 FEAF O=C(Cc1nc(-c2ccnc(F)c2)cc(=O)[nH]1)N1CCc2c(F)cccc21 147003740 BNKDUJYYNUICRN-UHFFFAOYSA-N 368.343 2.242 0 1 FEAF COC(=O)[C@@]12C[C@@]3(C=CCN(CCc4c1[nH]c1ccccc41)C3=O)[C@H](C)O2 85899405 WLRVTLMRAAGZRT-SKOKVVANSA-N 366.417 2.286 0 1 FEAF biogenic CC(=O)O[C@H](C[C@@H](O)C[C@H](O)/C=C/c1ccccc1)C[C@H]1CC=CC(=O)O1 653737744 NYDIWXPSZYCWCU-KEDIHNGDSA-N 374.433 2.395 0 1 FEAF COc1cc2c3c(c1)O[C@](c1cc4ccccc4o1)(C(O)O)[C@@H](C2)C3=O 587457136 ZMXZMPYELIJKBK-RNODOKPDSA-N 352.342 2.395 0 1 FEAF COc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1F 586935440 GYISBXXMODGALU-UHFFFAOYSA-N 352.391 2.392 0 1 FEAF CCOC(=O)c1cc(Br)c2[nH]c(CC(=O)COC)nc2c1 587562970 KKYKNYJEDLWZNT-UHFFFAOYSA-N 355.188 2.260 0 1 FEAF C[C@@]1(c2ncc(F)cn2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962640210 ODQCZJTWZIKGBL-SWLSCSKDSA-N 371.290 2.377 0 1 FEAF CC1=CC(=O)N(Nc2nc(-c3nnc(C)o3)nc3sc(C)cc23)C1=O 1772597479 OBCYLPMGGMEUKM-UHFFFAOYSA-N 356.367 2.000 0 1 FEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1C[C@H](N)C1 1772626431 WRMDZFXPBIHCOL-HAQNSBGRSA-N 362.437 2.121 0 1 FEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)Nc1cccc2ncccc12 169299751 BOLBRZWHNIBFRJ-MIPBIBEHSA-N 373.412 2.226 0 1 FEAF CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)[C@H](C)CN2 169719753 BRDCIXMYUMWYDV-PIHIASKNSA-N 357.458 2.278 0 1 FEAF OCC[C@H]1CN(Cc2cccc3c2OCO3)CCN1Cc1ccccc1 22932953 GYKCUBAIXHINER-IBGZPJMESA-N 354.450 2.484 0 3 FEAF CN(C)C(=O)c1ccc(-c2ccc(/C=C3/NC(=S)NC3=O)s2)cc1 103227934 CPCSMJVQCYFBJO-UKTHLTGXSA-N 357.460 2.462 0 1 FEAF CSc1ccc(C(=O)N2CC(=O)N(Cc3ccccc3)C[C@@H](O)C2)cc1 105846592 TVFMZXVLTSTKMV-QGZVFWFLSA-N 370.474 2.254 0 1 FEAF CCOc1ccc([C@@H](O)CN2CCN(c3ccccc3)CC2)cc1C(N)=O 27076262 YMXNEGQRXBJRFT-IBGZPJMESA-N 369.465 2.040 0 1 FEAF C[C@H]1CC[C@@H](C)N1C[C@H](O)CNS(=O)(=O)c1cccc2ccccc12 28891774 GBQZPHGKWXWKET-HLLBOEOZSA-N 362.495 2.352 0 1 FEAF O=C(CO[N+](=O)[O-])NCCCNc1c2c(nc3ccccc13)CCCC2 29136125 FWBFWRIDEUVUDF-UHFFFAOYSA-N 358.398 2.240 0 1 FEAF CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 73139633 MWNVVXNYGOUFQJ-UHFFFAOYSA-N 369.516 2.183 0 1 FEAF Oc1c2c(cc3c1C1=Cc4ccc5c(c4[C@H](O)N1CC3)OCO5)OCO2 15043425 JFZPMHUALXPYNM-IBGZPJMESA-N 353.330 2.210 0 1 FEAF biogenic O=C([C@H]1C[C@H](Oc2ccc(F)cc2)CN1)N1CCCN(C2CCC2)CC1 49089515 RKXDBMQRODRNSK-RBUKOAKNSA-N 361.461 2.022 0 1 FEAF CCOC(=O)c1cnn(C[C@@H](C)O)c1NC(=O)Nc1ccccc1F 40874698 QSQCNCCIQLVDBL-SNVBAGLBSA-N 350.350 2.224 0 1 FEAF C[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccncc3)c2=O)N1 82207100 VUHXFOPTCKBPHF-AWEZNQCLSA-N 369.469 2.260 0 1 FEAF CC(=O)NCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccccc2)n1 82132823 FFQHPZXTQLQLRW-UHFFFAOYSA-N 369.469 2.420 0 1 FEAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C 238753475 NFAZPKOZGQLFNL-VCKJCAQWSA-N 364.438 2.243 0 1 FEAF CO[C@H](C)COC1CCC(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CC1 587952210 MYDIEDHPMYJHTD-PNESKVBLSA-N 367.471 2.288 0 1 FEAF NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1SC(=S)N1CCCC1 38459214 PCKDNHHUNLSNIU-UHFFFAOYSA-N 356.385 2.075 0 1 FEAF CN1CCc2cc3c(cc2[C@@H]1Cc1ccc2c(c1CO)OCO2)OCO3 13408596 RQZIWZMFWOGBQK-INIZCTEOSA-N 355.390 2.408 0 1 FEAF biogenic CN1CCCC[C@H]1c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1 13982530 KPXYCCGYCRCUCJ-ZDUSSCGKSA-N 360.389 2.114 0 1 FEAF N[C@H]1C[C@@H]2CCCc3c(c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c34)N2C1 113155629 WSSQECFOHWIOCC-JQWIXIFHSA-N 371.412 2.416 0 1 FEAF C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccccc4C(N)=O)cc3c21 28901996 FHJOEWCOPYPMQW-SNVBAGLBSA-N 362.389 2.366 0 1 FEAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)C(=O)CC[C@](C)([C@H]23)[C@@]1(O)CC[C@@H]1C=COC1=O 2356734269 AFZLENSRRTZYFM-PLKSQBKLSA-N 362.422 2.141 0 1 FEAF O=S(=O)(Nc1cnn(C2CCNCC2)c1)c1cc(Cl)ccc1F 98208708 XMUAZEINLRUFHP-UHFFFAOYSA-N 358.826 2.401 0 1 FEAF in-vitro COc1ccccc1CN1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(C)=O)C2 95793981 MBSOMLPYCNTFBE-TZIWHRDSSA-N 366.461 2.256 0 1 FEAF COc1cccc2c1N(C=O)[C@@H]1CC[C@@]34CCCN5CC[C@@]21[C@]53OC(=O)C4 238744136 OHVLQOJUEDASJF-OTNPHJDUSA-N 368.433 2.201 0 1 FEAF CS(=O)(=O)N1C[C@]2(CCN(Cc3ccccn3)C2)Cc2ccccc21 299851814 KDCAMRDOJUFZDQ-LJQANCHMSA-N 357.479 2.296 0 1 FEAF CN(C)C(=O)Oc1ccc2c(=O)n(Cc3ccc(F)cc3)c(=O)oc2c1 653887525 NHLHEQCNALIJGK-UHFFFAOYSA-N 358.325 2.203 0 1 FEAF NC(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587009086 USXKCXIVENLBMZ-UHFFFAOYSA-N 357.171 2.134 0 1 FEAF CNC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 5852417 UWKZRDHAKLMDEI-NSHDSACASA-N 359.401 2.219 0 1 FEAF CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)O 15955876 XYUOOKWIMSDRCG-BMLIUANNSA-N 361.394 2.273 0 1 FEAF biogenic Cc1cc(C(=O)N2C[C@H]3[C@@H](CN(C)CCCn4cccn4)[C@H]3C2)c(C)o1 1857620603 RGQWBBQHBDAJBP-REPLKXPHSA-N 356.470 2.433 0 1 FEAF CC(C)N[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356488314 IKZVGXFUXFHJKV-ISARSNTHSA-N 359.445 2.181 0 1 FEAF CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 3332079 RNSAKRHYCKLORM-VWUVDNNOSA-N 374.466 2.187 0 1 FEAF CCOC(=O)c1cc([C@H](C)O)cn1S(=O)(=O)c1cc(Cl)ccc1N 6403682 MSYDNZGZPOTNBF-VIFPVBQESA-N 372.830 2.191 0 1 FEAF CC(=O)N1CCOc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc21 6832514 UEVSIWKXCVMUAD-CHWSQXEVSA-N 352.456 2.099 0 3 FEAF COc1ccc(CN2C[C@H](F)[C@H](OCc3nc4cnccc4[nH]3)C2)cn1 2356302382 UBECGIIIGZBVQG-XJKSGUPXSA-N 357.389 2.101 0 1 FEAF COc1cc2c(cc1OC)[C@H](c1ccc(O)c(O)c1)[C@H](CO)[C@@H](CO)C2 14435279 HWDQCWAPHWSUDD-RCDCFZSISA-N 360.406 2.020 0 1 FEAF biogenic O=C(c1ccc(Cl)cc1F)N1CCc2c(nnn2-c2ncccn2)C1 226000331 SHHSBFGBVDUSLN-UHFFFAOYSA-N 358.764 2.048 0 1 FEAF C[C@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccccc1 95580712 YNLYLPHADLWJIV-AWEZNQCLSA-N 364.453 2.133 0 1 FEAF CC(=O)c1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 586958585 JTIQFRSOBIQYQK-KRWDZBQOSA-N 359.407 2.234 0 1 FEAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cnnc(O)c3[nH]2)cc1 587244751 LJUGDXHLDJDJJP-UHFFFAOYSA-N 350.338 2.198 0 1 FEAF CC(C)CCOc1cc2nc([C@@H](O)[C@H](O)CO)[nH]c2cc1Br 586893080 UNUKPLSGVOTIKJ-OCCSQVGLSA-N 373.247 2.137 0 1 FEAF O=C(N[C@H](Cc1nc2cccc(O)c2[nH]1)C(=O)O)OCc1ccccc1 587204438 YQWZZOUGSYCWRI-CYBMUJFWSA-N 355.350 2.191 0 1 FEAF CC(C)Oc1cc2nc(C[C@H](O)CC(=O)O)[nH]c2cc1Br 586889851 LSHVMOBMHLXIPD-QMMMGPOBSA-N 357.204 2.491 0 1 FEAF CS(=O)(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 587128145 HGOBYCGSWUYTJJ-UHFFFAOYSA-N 364.337 2.009 0 1 FEAF CCOC(=O)N1CCN(C[C@@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 19901541 YYURVCYQHWNCOP-BRWVUGGUSA-N 356.507 2.353 0 1 FEAF CC(C)[C@@H](CC(=O)O)Nc1nc(-c2c[nH]c3ncc(F)cc23)cn(C)c1=O 1857551128 HWOZCCQWZCKADZ-CYBMUJFWSA-N 373.388 2.374 0 1 FEAF O=C(N[C@@H]1[C@H](c2cccnc2)C[C@H](O)[C@@H]1O)c1cc2ccccc2s1 2356287935 SGBOHKMOXFTOJZ-ZZCKCESHSA-N 354.431 2.304 0 1 FEAF C[C@]1(O)CCN(C(=O)C2CCC2)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1 2356288456 DUPPEVSTHSMYPL-OPYAIIAOSA-N 356.466 2.406 0 1 FEAF O[C@H](CNCCOc1ccc(-n2ccnc2)cc1)COc1ccccc1 26737285 XMLOXOFMPHIHFN-GOSISDBHSA-N 353.422 2.281 0 1 FEAF CCC[C@@H]1NC(=O)c2cccnc2-n2c1nc1ccc(OC)cc1c2=O 61921370 DLKCJVIIXBUQPU-HNNXBMFYSA-N 350.378 2.374 0 3 FEAF CC(C)CN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 2356606211 HLJKCLMZEHNAQC-WCIQWLHISA-N 355.482 2.290 0 1 FEAF CCC1=CN2CC[C@@]34c5ccccc5-n5c3c(cc(C(N)=O)c5=O)[C@H]1C[C@@H]24 2356607728 PAVSKUFNJDSZBQ-CYYCYGDNSA-N 359.429 2.405 0 1 FEAF CC=Cc1cc(=O)c(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(O)o1 2356863963 UTVRNSQPIZGVEX-UHFFFAOYSA-N 374.345 2.413 0 1 FEAF COc1cc(OC)cc(-c2cnc(N)c(N3CCC(C(=O)O)CC3)n2)c1 64448327 SNJGUTSRBTYLSN-UHFFFAOYSA-N 358.398 2.044 0 1 FEAF CC(=O)N[C@H](CSC(=S)NCCCCc1ccccc1)C(=O)O 40392996 LITKDIAXAOEWHC-CQSZACIVSA-N 354.497 2.206 0 1 FEAF CCN1C[C@H]2C3(CCN(C(=O)NC(C)C)CC3)CC[C@@]2(C(=O)N(C)C)C1 96143887 FTIIFMIANPENFH-OXJNMPFZSA-N 364.534 2.007 0 1 FEAF COc1ccc2c(c1)[nH]c(=O)n2C(=O)c1cc(OC)c(OC)c(OC)c1 96926918 CLAJXEICSSUZAF-UHFFFAOYSA-N 358.350 2.053 0 1 FEAF NC(=O)c1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587184645 KLRZCRWJVSTXRU-UHFFFAOYSA-N 364.146 2.328 0 1 FEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 586951723 WQRWBOPSXSZJPI-LLVKDONJSA-N 366.428 2.090 0 1 FEAF O=C1CCc2cc(/C=C/C(=O)N3CC[C@H](Oc4cccnc4)C3)cnc2N1 169707519 IUDCXSXORCOVKT-ZVVFDCPKSA-N 364.405 2.054 0 1 FEAF N#CN1CC[C@@H](N2CCN(c3ccc(-c4ccccc4)cc3)S2(=O)=O)C1 1857568259 KUCUZQNRJSUIQF-LJQANCHMSA-N 368.462 2.276 0 1 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NC[C@@H]4CCOC4)c(=O)n1c23 1857620863 VGDSRFGNVGDCAL-QWRGUYRKSA-N 360.385 2.120 0 1 FEAF CCc1cc(Nc2cc(=O)n(CCCCOC(C)=O)c(=O)[nH]2)ccc1C 13674943 BIKSHULDCZYIEL-UHFFFAOYSA-N 359.426 2.494 0 1 FEAF CCOC(=O)N1CCN(C[C@@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 19901545 YYURVCYQHWNCOP-ZACQAIPSSA-N 356.507 2.353 0 1 FEAF CCOc1ccc2c(c1)n1ncc(C(=O)c3ccc(OC)cc3)c1n[n+]2[O-] 29058735 IIVPIUVPMDDBCR-UHFFFAOYSA-N 364.361 2.154 0 1 FEAF COC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 71295840 SKFTUSWASLNCHF-UHFFFAOYSA-N 366.834 2.377 0 1 FEAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@H](CO)CC(C)C 82198576 QEJDHXPCFIAKER-PMURGSQPSA-N 368.518 2.262 0 1 FEAF O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1nccs1 95796554 LUPCTIQIYASSGU-SJLPKXTDSA-N 369.490 2.094 0 1 FEAF CCN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1)C(=O)COC 95895132 FGZZSXPQOAVEPM-RZUBCFFCSA-N 368.477 2.265 0 1 FEAF COc1cc2c(cn1)OC[C@@]21C(=O)N(C[C@H]2CCCO2)c2ccccc21 103177719 ZPBJZVCHEDJNGK-XCLFUZPHSA-N 352.390 2.294 0 1 FEAF O=C1CN(C(=O)c2ccc(Cl)cc2)C[C@H](O)CN1Cc1cccs1 105850710 YGCBKTGHRVYEIV-CQSZACIVSA-N 364.854 2.247 0 1 FEAF CCc1c(-c2ccc(N3CC[C@@H](N(C)C)C3)cc2)[nH]c(=O)c(C(=O)O)c1O 142777248 BAWYGPWUNCMAPV-CQSZACIVSA-N 371.437 2.148 0 1 FEAF Cc1ccc(-c2nnc(SCc3nc4c(O)ncnc4[nH]3)n2C)cc1 586965544 LKXXUQWFQSLPBP-UHFFFAOYSA-N 353.411 2.455 0 1 FEAF Cn1nc(-c2nc3cccc(I)c3[nH]2)c(F)c1O 587155869 NRZXIQUBXMWAFW-UHFFFAOYSA-N 358.114 2.413 0 1 FEAF COc1cc2c(cc1OC)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 587399835 KGRGFFALFOCSHE-LJQANCHMSA-N 354.362 2.407 0 1 FEAF CCCc1c(O)ccc2c1O[C@H](c1cnc(N(C)CC(=O)O)nc1)CC2=O 587469770 PIDOMNKTQJAGBQ-INIZCTEOSA-N 371.393 2.362 0 1 FEAF COc1ccc(C(=O)N2CCN(c3nc4cc(N)ccc4o3)CC2)cc1 1857571375 HPOPEDIRONALSG-UHFFFAOYSA-N 352.394 2.381 0 1 FEAF C[C@@]12C3=CCC[C@@]1(O)O[C@@](C)([C@@H]1C[C@H](c4ccoc4)OC1=O)C[C@@H]2OC3=O 2356399530 YEXRBYBPNHPJRD-XYYNDNLRSA-N 374.389 2.403 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@H]3[C@H](O)[C@@]12O 2356546119 ASPNSXLDAYXWRB-WIYJTYJQSA-N 364.438 2.038 0 1 FEAF CN1CCC(N2C[C@H](F)[C@@H](OCc3nc4ccc(F)cc4[nH]3)C2)CC1 2356673788 UUWZANPCRJEWDX-YOEHRIQHSA-N 350.413 2.335 0 1 FEAF OCC[C@@H]1CN(C2CSCCSC2)CCN1Cc1ccccc1 22932691 FDXOUXOZJCFNKJ-QGZVFWFLSA-N 352.569 2.404 0 3 FEAF C[C@H](NC(=O)C[C@@H]1[C@H](O)CC[C@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)CO)C(C)(C)C 2356364269 RSPFXXVMPYBSBP-BWZSQLOISA-N 369.546 2.474 0 1 FEAF O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2C[C@@H]2[C@@H]1C2(Cl)Cl 102945307 GSRVKLGURKHDPG-RNJOBUHISA-N 350.205 2.276 0 1 FEAF CN[C@H]1CCC2=C[C@@H](OC)[C@H](OC)C(OC)=C2c2ccc(OC)c(=O)cc21 27712031 NESSNBSJHKOKKH-CVAIRZPRSA-N 373.449 2.437 0 1 FEAF CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN)cc3)c(F)c2)C(=O)O1 64446979 PTFZEIBVXSCGEN-INIZCTEOSA-N 357.385 2.413 0 1 FEAF Cc1csc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccccc3)n2)c1 36470713 UBCGVLWDYKSYBE-UHFFFAOYSA-N 363.420 2.291 0 1 FEAF Cc1cccc(C(=O)N2CCn3c(nnc3C(=O)NC3CCCCC3)C2)c1 74376361 GHXGXZGQRKRFGT-UHFFFAOYSA-N 367.453 2.305 0 3 FEAF COC(=O)[C@@]12C[C@@H]3C[C@@H]([C@H](C)O)[C@H]1N(CCc1c2[nH]c2ccccc12)C3 1911584927 VGDQBNXQAOYMPS-QGMZHCFDSA-N 354.450 2.226 0 1 FEAF COc1cc(O)c2c(c1OC)O[C@@H](c1ccccc1O)[C@@H](OC(C)=O)C2=O 14643398 KWSYXBWUMWEBHH-LPHOPBHVSA-N 374.345 2.363 0 1 FEAF biogenic C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCN 82083508 QPAOHELNRDBRLO-LBPRGKRZSA-N 353.378 2.115 0 1 FEAF NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@@H]1c1ccc(=O)[nH]c1 45339015 YVLHBHTXWLXHJE-IBGZPJMESA-N 370.840 2.333 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C 86010672 YOQIGAVHLYFIAF-GRCZSXTBSA-N 364.438 2.243 0 1 FEAF in-man CNC[C@@H]1Oc2ncc(C3=CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95734044 CJMPJSHSWXOPJR-DOXZYTNZSA-N 373.497 2.479 0 1 FEAF O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 95894596 FZJHIVUYMAQMIZ-SQWLQELKSA-N 368.355 2.051 0 1 FEAF N=c1[nH]c2nc(C[C@@H](N)c3ccc(Br)cc3)nc-2c(Cl)[nH]1 586997064 MKTUXFOFLBWWFF-MRVPVSSYSA-N 367.638 2.375 0 1 FEAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(N)=O)cc2[nH]1 587193474 BCHODBWYOFGSEI-CYBMUJFWSA-N 361.446 2.179 0 1 FEAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(CO)cc3[nH]2)cc1 586926168 LMCFBSZNTXEUCQ-UHFFFAOYSA-N 358.419 2.274 0 1 FEAF COc1cc(C[C@@H]2COC(=O)[C@@H]2[C@@H](O)c2ccc(O)c(OC)c2)ccc1O 14646872 ZZSOKNNVDKKSDE-VMDGZTHMSA-N 374.389 2.180 0 1 FEAF biogenic CN1c2ccc(-c3ccccc3)cc2CN([C@@H]2CCN(C#N)C2)S1(=O)=O 1857616849 VYWLBBMQEOVGIC-GOSISDBHSA-N 368.462 2.406 0 1 FEAF COc1cc(OC)c2c(c1)[C@@]13C[C@H]4[C@@H](COC1=N2)[C@H]1C[C@H]3N4CC1=CCO 2356418433 JHEWUOHZDCTKBI-VMAVIFJISA-N 368.433 2.027 0 1 FEAF O=C(Cc1ccc(OC(=O)NN2CCOCC2)cc1)OCc1ccccc1 29465559 IZCYYNSKMIJEPV-UHFFFAOYSA-N 370.405 2.308 0 1 FEAF COc1ccc(Nc2ncc(CO)cc2-c2nc(C)nc3[nH]cnc23)cn1 113152019 OFIJGDSZAPCHLL-UHFFFAOYSA-N 363.381 2.363 0 1 FEAF Cc1ccc(-[n+]2noc(O)c2CN2CCN(c3ccccc3)CC2)cc1 103197951 LXSNFYLXBSKJKJ-UHFFFAOYSA-O 351.430 2.288 0 1 FEAF Cn1ncc(NC(=O)c2cn(Cc3cccc(C(F)(F)F)c3)cn2)n1 66078845 XWXJCCLNDUXMPC-UHFFFAOYSA-N 350.304 2.331 0 1 FEAF CC(C)=CC(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@]2(O)C(=O)CC[C@H](C)[C@]12C 2356835836 KURJGUWPUHGLBX-ANPYHDSISA-N 360.406 2.372 0 1 FEAF CNC(=N)N1CC[C@@H]2CC[C@@H]3[C@H](O)C(C(=O)O)=C4C[C@H]5CC[C@H](C)[C@]43[C@]25C1 2356862063 UWPFQXOVNGPAEQ-MBXPBIHHSA-N 373.497 2.051 0 1 FEAF COc1ccc(CN2C(=O)CNC(=O)[C@@H]2Cc2c[nH]c3ccccc23)cc1 71296019 KFQKSSFQAYRBIC-IBGZPJMESA-N 363.417 2.246 0 1 FEAF NC[C@@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 39053461 APQLQFSGNATQJD-NSHDSACASA-N 359.401 2.349 0 1 FEAF CC(=O)c1ccc(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1 49792572 XWQNZYCWLMEIBB-UHFFFAOYSA-N 362.393 2.021 0 1 FEAF C[C@@H]1CC[C@@]23C(=O)O[C@H]4C[C@@]2(OC(=O)[C@]43C)[C@@]12C[C@H](c1ccoc1)OC2=O 238765087 YUCRQADHPVUPRY-GYWYOFBDSA-N 372.373 2.301 0 1 FEAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@H]1CN(C)C 95711582 VZKDZVNXGYLRRI-CLCXKQKWSA-N 373.497 2.431 0 1 FEAF Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cc[nH]n4)ccc3ncc21 261173116 UGHUEKMXYXFWBE-HAQNSBGRSA-N 364.409 2.149 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(CN3CCCCC3)OCC1=O)O2 587402110 YDSYLODPUOVZKY-FQEVSTJZSA-N 356.422 2.250 0 1 FEAF Nc1ncnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 587003285 SPLATJYCSWJXHC-UHFFFAOYSA-N 358.203 2.290 0 1 FEAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587174234 HQFWADGXJBVIRO-GFCCVEGCSA-N 373.413 2.073 0 1 FEAF COc1cc2c3c(c1)OC1(CCN(C(=O)C(F)(F)F)CC1)[C@@H](C2)C3=O 587423347 XKYANKNOKNZDCC-NSHDSACASA-N 355.312 2.366 0 1 FEAF COc1ccc(OC)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1OC 587928242 ZISRCCRLZJXDEG-UHFFFAOYSA-N 352.354 2.231 0 1 FEAF COC(=O)C1CCN(C(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC1 587392518 BGZUXNQBHOQKEZ-FQEVSTJZSA-N 374.437 2.103 0 1 FEAF O=S(=O)(NCc1nc2cccnc2[nH]1)c1ccc(Br)s1 586943008 VJIOCSCFSNONHD-UHFFFAOYSA-N 373.257 2.260 0 1 FEAF CCOc1ccc(CCN2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OCC 13960345 JFSDGUHUVNAULE-YJEJQGFLSA-N 359.422 2.189 0 1 FEAF CCn1c(=O)n(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(=O)c2ccccc21 2923214 JIOIPFWJCUUZEU-SQWLQELKSA-N 357.454 2.124 0 3 FEAF CC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4199457 KFRBCHSPAIZUSD-DACLVMHWSA-N 354.406 2.249 0 1 FEAF C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@@H](O)[C@]13C[C@@H](CO)[C@H](CC[C@@H]21)C3 100780826 FQXFNQBHZJYODR-CVCMCGSESA-N 352.471 2.034 0 1 FEAF endogenous,in-man O=C(O)c1ccccc1OC(=O)[C@@H]1CCCN1C(=O)COc1ccccc1 29323499 YJMNKXMHBPDOET-INIZCTEOSA-N 369.373 2.360 0 1 FEAF CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCOCCCC(=O)O 27870866 BFSACJDXNVNGKW-WZSYSACCSA-N 356.459 2.321 0 1 FEAF COc1cccc(-c2cn(C3CCN(CCO)CC3)c3ncnc(N)c23)c1 27986455 OVTSFQUFYKJILE-UHFFFAOYSA-N 367.453 2.318 0 1 FEAF Cn1cc(CC(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c2ccccc21 23379720 ZNPGFVYOYSPUFC-CQSZACIVSA-N 350.422 2.210 0 1 FEAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@](C)(O)[C@@H](O)CC[C@@]13C 2356582776 XEMFUWNKYXGJQS-VLCGFYLKSA-N 366.498 2.409 0 1 FEAF C[C@@H](Cc1nc(-c2ccc(O)cn2)no1)C(=O)NC1=C(C(=O)O)CCCC1 34853410 QYBCKBVSSSDGAB-JTQLQIEISA-N 372.381 2.045 0 1 FEAF CC(C)[C@@H]1C[C@H](O)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40933258 IEKXWDNCZBHNEV-JSGCOSHPSA-N 352.822 2.293 0 1 FEAF COc1cccc(OC)c1-c1nnc(-c2ccc(S(N)(=O)=O)cc2)o1 1911582967 BRILYJHDVXMSFY-UHFFFAOYSA-N 361.379 2.068 0 1 FEAF COc1ccc(C[C@H](CO)[C@@H](CO)Cc2ccc3c(c2)OCO3)cc1OC 14437668 NRCFNUXLFQWEKJ-IAGOWNOFSA-N 374.433 2.435 0 1 FEAF biogenic CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](C)N2 82207252 HRVVFCPRJLMWHL-CYBMUJFWSA-N 360.433 2.469 0 1 FEAF COc1cc2c(cc1OS(N)(=O)=O)C[C@@H](C)N(Cc1ccccc1)C2 84671485 QRHZDVCPMPPVFP-CYBMUJFWSA-N 362.451 2.224 0 1 FEAF O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)ncnc21 45317997 LMYUTZPVPBXDQP-USNPWTNRSA-N 371.828 2.004 0 1 FEAF CCOC(=O)/C(I)=C/I 136962063 BGWAPSOQPCDAFQ-ARJAWSKDSA-N 351.909 2.261 0 1 FEAF CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 95561906 UTCQOVZSZNFTKB-YWPYICTPSA-N 373.482 2.365 0 1 FEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(CCO)c1 587583996 XXFNOLSECRKYHC-QFBILLFUSA-N 352.346 2.284 0 1 FEAF Cc1cc(-c2nc3nc(N)ncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124236 JZWMKLWECOZYFV-UHFFFAOYSA-N 372.332 2.172 0 1 FEAF NS(=O)(=O)Cc1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 586929857 HKWKTTLNIOJPKP-UHFFFAOYSA-N 367.228 2.176 0 1 FEAF CNC(=O)COc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433290 QCNIWEPNMQECRX-VLIAUNLRSA-N 353.374 2.309 0 1 FEAF O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccccc1 3896563 OKNRYPRXNROWBA-UHFFFAOYSA-N 357.435 2.238 0 1 FEAF CCn1c(=O)n(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(=O)c2ccccc21 4035720 JIOIPFWJCUUZEU-IJEWVQPXSA-N 357.454 2.124 0 3 FEAF CC(C)N(C)c1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 115625497 FMOONIZHTSWDMR-UHFFFAOYSA-N 367.453 2.463 0 1 FEAF CO[C@@H]1CC(=O)[C@H]2[C@@H]([C@H]1O)C1(CC[C@H]2O)Oc2cccc3cccc(c23)O1 2356596317 GBCWVCFIPWNQDZ-AZZUOYNISA-N 370.401 2.043 0 1 FEAF COc1cc(O)c(C(C)=O)c(C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)c1 15214973 HXXSTISDELKIRF-CQSZACIVSA-N 358.346 2.339 0 1 FEAF biogenic C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC(CO)=C2CCC1=CCOC1=O 73276805 GKSOUOCEZRESCW-HNJRGHQBSA-N 350.455 2.108 0 1 FEAF CCCCOC(=O)COC(=O)[C@H]1CCCN1C(=O)c1csc(CC)n1 82073527 GAOPTQSHPCXNOA-CYBMUJFWSA-N 368.455 2.197 0 1 FEAF CCCCN1CCN(C[C@@H](O)CNC(=O)Nc2ccc(Cl)cc2)CC1 45201127 NSGBCBMTKYTTQB-KRWDZBQOSA-N 368.909 2.240 0 1 FEAF CC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 95894473 MYBXLMBDLOWIKT-GBESFXJTSA-N 354.381 2.161 0 1 FEAF NCOCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 95535234 SMQLLFDYOJCBAI-GOSISDBHSA-N 370.405 2.301 0 1 FEAF O=S(=O)(c1ncccc1-c1nc2cc(CCO)ccc2[nH]1)C(F)(F)F 587127614 ZNLHFVXSYCJSAA-UHFFFAOYSA-N 371.340 2.453 0 1 FEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(Cl)c(Cl)cnc2[nH]1 587204921 UXGQMXXBPIUSIY-QMMMGPOBSA-N 358.229 2.344 0 1 FEAF C[C@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)n1cc(Cl)cn1 587082523 RJNUPUBYDXYWCF-SECBINFHSA-N 353.835 2.272 0 1 FEAF Cc1cc2c(cc1O)[C@](C)(CCC1C(=O)CCCC1=O)N[C@H](C(=O)O)C2 963528540 UCOKHGOJJKMBFK-YWZLYKJASA-N 359.422 2.233 0 1 FEAF Cc1nnc2sc(C(=O)NC3CN(c4cccnc4F)C3)c(N)c2c1C 1772613149 NOUNEXHFFXFPGZ-UHFFFAOYSA-N 372.429 2.043 0 1 FEAF COc1cc([C@@H]2C(=O)NC(=O)N2c2ccc(C)c(N)c2)cc(OC)c1OC 1857646646 IBEGCZQAGMKKGS-MRXNPFEDSA-N 371.393 2.401 0 1 FEAF C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)Cn1ccc2ccccc21 3581175 ZFWHOUCRVSOZJE-AWEZNQCLSA-N 371.462 2.355 0 1 FEAF in-vivo NS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2ccc(F)cc2)cc1 28769587 XEWAXRCPHFULFT-UHFFFAOYSA-N 361.354 2.024 0 1 FEAF COc1ccc(CCNC[C@@H](O)COC(=O)c2cccc(C)c2)cc1OC 25974267 IWXWOEASCMPJLS-GOSISDBHSA-N 373.449 2.362 0 1 FEAF O=C(O)[C@H]1CCCN(Cc2ccc(CN3CCC[C@H](C(=O)O)C3)cc2)C1 38620285 HMWWUPSOQXQIIP-ROUUACIJSA-N 360.454 2.280 0 1 FEAF CC[C@@H](C)N1CC(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O 2111819 HGBSRNPBYMTEGJ-MPBGBICISA-N 355.438 2.417 0 1 FEAF biogenic C[C@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1 72141007 FYFGRWOQQRABOK-SFHVURJKSA-N 363.435 2.159 0 1 FEAF COc1cc2ccccc2c(CON2C(=N)N=C(N)NC2(C)C)c1OC 45193128 VRJYVVBDPXPCGZ-UHFFFAOYSA-N 357.414 2.179 0 1 FEAF COc1ccc2c(c1OC)C(=O)N1CCc3cc4c(cc3C(=O)[C@H]21)OCO4 138767860 FVLOWUBINWKJGC-KRWDZBQOSA-N 367.357 2.368 0 1 FEAF Cc1ccc(S(=O)(=O)N2C(=O)[C@H]3Cc4ccccc4CN3C2=O)cc1C 87723021 BSUIUCPEEGMUIW-QGZVFWFLSA-N 370.430 2.381 0 1 FEAF CNC(=O)Oc1ccc(C(=O)NCc2ccccc2)cc1OC(=O)NC 230558205 SGFQAWNZPQJWLM-UHFFFAOYSA-N 357.366 2.053 0 1 FEAF COc1cc([C@@H]2Oc3cc(/C=C\CO)ccc3O[C@@H]2C(=O)O)ccc1O 523042122 IWZNJWBNFYXWGT-QCOFGRRSSA-N 358.346 2.372 0 1 FEAF biogenic COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cn(C)nc1C)[C@@H](C2)C3=O 587433216 WOBXOHRJDHYINY-DYELUZBYSA-N 353.422 2.455 0 1 FEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CN=CNc1[nH]cnc12 587590723 TYMTULSAOYWOMM-KUHUBIRLSA-N 362.345 2.426 0 1 FEAF N=C(N)c1ccc(NCCCCCNc2ccc(C(=N)N)cc2N)c(N)c1 5161681 WIVJSAXCEQDLJF-UHFFFAOYSA-N 368.489 2.113 0 1 FEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)Nc1cnc2ccccc2c1 169293736 ZJEUUDOBFLQKBE-ILRNBGBRSA-N 373.412 2.226 0 1 FEAF CNC1=NC(=O)[C@@H]([C@H](C)c2cn(C(=O)CCC(=O)O)c3ccccc23)S1 169319784 TYLAUZGFEFLERF-QLJPJBMISA-N 373.434 2.467 0 1 FEAF Cc1ccc([C@]2(O)CCN(S(=O)(=O)c3ccc4c(c3)OCO4)C2)cc1 1857772447 RONYOFQFDTXDDY-SFHVURJKSA-N 361.419 2.006 0 1 FEAF CCOC(=O)c1c2ccccc2n2c(=O)n(-c3ccc(OC)cc3)nnc12 1862658 OZEROYIKTYQJND-UHFFFAOYSA-N 364.361 2.219 0 1 FEAF COC(=O)[C@@H](C)Sc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1 104148372 RVTPSSHQXKLNHA-MRVPVSSYSA-N 364.814 2.367 0 3 FEAF Cn1c(=O)c2c(nc(/C=C/c3ccc(Cl)c(Cl)c3)n2C)n(C)c1=O 28648552 FJJNXSUWXZGFBM-FNORWQNLSA-N 365.220 2.448 0 1 FEAF O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1ccc(Cl)cc1 103199650 WYTKOYRFQXSZCJ-AWEZNQCLSA-N 360.822 2.475 0 1 FEAF C[C@@H]1N[C@H]([C@@H]2CC[C@H](CCCCC[C@H](O)CC(=O)O)[C@@H](O)C2)CC[C@@H]1O 2356309821 QRBRUTOUZJIBOC-JUKXBMAYSA-N 371.518 2.051 0 1 FEAF O=C(O)C(Br)=C(Br)I 2356655910 AORLFLUMZXGBEY-UHFFFAOYSA-N 355.751 2.465 0 1 FEAF O=C1N[C@@H](Cc2ccccc2)C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2N1 38149661 DGQTYAJMXAQQRM-QYZOEREBSA-N 365.433 2.054 0 1 FEAF CC[C@@H]1Cn2c(c(NCC(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82208042 OYCACORSHPRXHG-OAHLLOKOSA-N 360.433 2.469 0 1 FEAF O=C(Nc1cnn(S(=O)(=O)c2ccc(F)cc2F)c1)c1ccccn1 198775421 TWSNBRCTNUIBRT-UHFFFAOYSA-N 364.333 2.046 0 1 FEAF Cc1ccc(-c2nc(C(=O)NCC(=O)OC[C@H]3CCCN3C)co2)cc1 82072276 UYUFFHYRDRMVEW-OAHLLOKOSA-N 357.410 2.017 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2ccc(OC)c(C(F)(F)F)c2)CC1 618020269 VHJIPCQHRIYJJD-UHFFFAOYSA-N 364.389 2.305 0 1 FEAF CCOC(=O)[C@]1(C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800813 ZNKQKGMMSBLQQE-VXJOIVPMSA-N 358.207 2.470 0 1 FEAF C[C@]1(CC(=O)NC2CC2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962639327 UPHMYSBSQIHWJS-MEDUHNTESA-N 372.343 2.068 0 1 FEAF O=C(O)c1cn(CC2(c3ccc4c(c3)OCO4)CCCC2)cc(O)c1=O 1772647147 ZSMZFAGUKDITEY-UHFFFAOYSA-N 357.362 2.493 0 1 FEAF CC1(C)Oc2cc(O)c3c(c2C[C@H]1O)OC[C@@H](c1ccc(O)cc1O)C3=O 13416205 YBSZKJGFDYIZGI-BLLLJJGKSA-N 372.373 2.237 0 1 FEAF endogenous,in-man Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cnccn4)ncc23)ccn1 205447388 DLOOGWLZNHTKPU-UHFFFAOYSA-N 360.381 2.440 0 1 FEAF O=C(O)c1cccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 1857591660 PRTDWERXXPVSPD-UHFFFAOYSA-N 358.369 2.252 0 1 FEAF C[C@@H]1[C@H](O)CC[C@@H]2C[C@H]([C@@H](O)CCCCCC[C@@H](O)CC(=O)O)CCN21 2356311377 KUWUFIMFEHTJGO-UPGMHYFXSA-N 371.518 2.147 0 1 FEAF CCOC(=O)Cc1cc(O)n2nc(NCc3ccc(CC)cc3)nc2n1 21178290 UNUURRCXMMKZIG-UHFFFAOYSA-N 355.398 2.110 0 1 FEAF C[C@H](O)CCC[C@H](O)C=C[C@H]1[C@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O 2356504272 JRNZEGAFLBTZDT-KOUJMVCDSA-N 372.502 2.238 0 1 FEAF CCOc1ccccc1C(=O)N1C[C@H]2CN(c3nccc(OC)n3)C[C@@H]2C1 116823689 KNSQXGQTBLTKPU-GJZGRUSLSA-N 368.437 2.092 0 1 FEAF COc1ccc(CN2C[C@@H]3OCC(=O)N(Cc4ccc(F)cc4)[C@H]3C2)cc1 2356753799 HDKPAABINPVARY-PMACEKPBSA-N 370.424 2.446 0 1 FEAF COc1cc([C@@H]2C[C@H](O)C[C@@H]([C@@H](O)Cc3ccc(O)cc3)O2)ccc1O 14686753 UKFYIKOSRJMAAB-CAIZAGQASA-N 360.406 2.291 0 1 FEAF biogenic CC(=O)NCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccco1 82142806 QMVYSNBTAHYXEX-UHFFFAOYSA-N 371.441 2.347 0 1 FEAF COc1ccc(CCNc2nc(N(C)CCN(C)C)ncc2C)cc1OC 82202808 WOVVOPWSTUUHFT-UHFFFAOYSA-N 373.501 2.455 0 1 FEAF O=C(O)[C@H](c1cccc2c1OCC2)N1CCC(N2CCSCC2)CC1 95523299 KDVGLFFYPOJSJF-KRWDZBQOSA-N 362.495 2.260 0 1 FEAF c1cc(OC[C@@H]2CNCCO2)c2nc(-c3nnc4ccccn34)ccc2c1 96175117 LHKDWQFFBVATPU-HNNXBMFYSA-N 361.405 2.312 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1C/C(C)=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(CO)=C12 238750312 DHICEKLRVMHWCF-RTLULWERSA-N 362.422 2.366 0 1 FEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@H]32)N1 587792995 JFOLVMJPCFSCFQ-ASGLFECBSA-N 369.234 2.010 0 1 FEAF Cc1c(O)ccc2c1[C@](C)(c1nn(C)c3ccccc13)N[C@H](C(=O)O)C2 963547370 BEUAHFOPIVKTNA-VBKZILBWSA-N 351.406 2.450 0 1 FEAF COc1ccc2c(c1OC)[C@]1(CC[C@@H]3[C@H](CN[C@H]3C(=O)O)C1)N(C)[C@@H](C)C2 962575110 VOMPILDJXDPJGK-SYCNDTQFSA-N 374.481 2.248 0 1 FEAF COc1ccc([C@@]2(COCC(=O)O)NCCc3c2c(C(C)C)nn3C)cc1 962915336 HLZPPWILQFQMKQ-HXUWFJFHSA-N 373.453 2.043 0 1 FEAF O=S(=O)(C1=C[C@H](S(=O)(=O)c2ccccc2)COC1)c1ccccc1 5812478 IUGGSBVJLLQNOV-INIZCTEOSA-N 364.444 2.217 0 1 FEAF CCCn1c(=O)c2c(nc(/C=C/c3cccc(N)c3)n2C)n(CCC)c1=O 13826997 MDLFEEQKIXFVCI-MDZDMXLPSA-N 367.453 2.469 0 1 FEAF COc1ccc(N2C(=O)CN(C(=O)CCn3ccc(C)n3)CC2(C)C)cc1 14880530 MSBHGLDEPZCVPZ-UHFFFAOYSA-N 370.453 2.244 0 1 FEAF O=S(=O)(c1ccc(F)cc1)N1CCN(C[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 169303807 PIONSLKGVXUVDT-BZUAXINKSA-N 350.459 2.344 0 1 FEAF COc1nccc2oc(-c3cnc4ccc(OCC5CNC5)nn34)cc12 205344148 OEQQISQELMRZDV-UHFFFAOYSA-N 351.366 2.144 0 1 FEAF CC1CCN(CCNC(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 3906330 LCGCTEVIXODMCQ-SFHVURJKSA-N 359.470 2.266 0 3 FEAF Cn1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)n1 101471633 GTRGUNZMBJAFED-BXUZGUMPSA-N 356.451 2.094 0 1 FEAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@@H]2CCNC[C@@H]12 58655349 YUXOQHWVQKFINS-RTBURBONSA-N 352.482 2.062 0 1 FEAF Nc1cc(N2CCN([C@H](CN3CCCC3)c3ccc(F)cc3)CC2)ncn1 219303871 QTNXQGPDTJDWLZ-GOSISDBHSA-N 370.476 2.157 0 1 FEAF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO 40698379 PIDANAQULIKBQS-VXJJHIRGSA-N 372.461 2.012 0 1 FEAF COc1cccc2c1[C@H](c1ccccc1)N(C(=O)CNC[C@@H](C)O)CC2 140247680 VGGHHCZNCHDRRO-VFNWGFHPSA-N 354.450 2.140 0 1 FEAF CCC(CC)C(=O)N1CC[C@@H]2NC(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 25410327 GENZJBBHJFFIMV-HOTGVXAUSA-N 359.426 2.157 0 1 FEAF biogenic CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)[C@@H]4C[C@@H]5OC(=O)C=C1[C@]5(C)[C@@H]2[C@]43C 257604082 WKNPIBKVHHVICI-LIUINBKCSA-N 360.406 2.029 0 1 FEAF endogenous,in-man Cc1ccccc1[C@H](CC(=O)O)NC(=O)C1=CC=C[C@@H](N2CCCCC2)N1 261077981 BFOZMVDWRUGBLR-RBUKOAKNSA-N 369.465 2.482 0 1 FEAF COc1nc(N2CCSCC2)nc(OC)c1NC(=O)CC(C)(C)C 473115518 UBTKKUCKSIXDJB-UHFFFAOYSA-N 354.476 2.422 0 1 FEAF CCOC(=O)[C@@]1(c2ccc(OC)nc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434948 BZXBOSWREUNJIO-VLIAUNLRSA-N 369.373 2.305 0 1 FEAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(=O)OC)cc2[nH]1 587231337 NMJYAOWYTMZAOK-KGLIPLIRSA-N 359.426 2.386 0 1 FEAF CNC(=O)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587433282 PXTUZUMQMINEMR-QRWLVFNGSA-N 353.374 2.309 0 1 FEAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)cc(F)c2[nH]1 586936981 BWLRYUFUCWJUDF-ZETCQYMHSA-N 357.798 2.128 0 1 FEAF COC(=O)[C@H]1OCC(C)(C)[C@@]12NCCc1cc3cccc(OC)c3nc12 963046555 KORSBFWOVRLDRK-XLIONFOSSA-N 356.422 2.182 0 1 FEAF COC(=O)[C@]1(CC(=O)c2cn(C)nc2C)NCCc2c1sc(C)c2C 963012797 QXXCLOGLMJPEKA-GOSISDBHSA-N 361.467 2.194 0 1 FEAF CN1C=C[C@]2(C(C(N)=O)=C1)c1cccc(F)c1CCN2[C@H]1CCSC1 962695869 GEICXNKSVQRBLU-ORAYPTAESA-N 359.470 2.213 0 1 FEAF C[C@]1(c2ncc(F)cn2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962640215 ODQCZJTWZIKGBL-WFASDCNBSA-N 371.290 2.377 0 1 FEAF Cc1cc(C)n(CCNC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)n1 12000242 DJVZUOZOZBNLSF-GOSISDBHSA-N 360.502 2.435 0 3 FEAF CCSc1cc(=O)c2c(O)cc(O)c([C@@H]3CCN(C)C[C@@H]3O)c2o1 12354901 MXQMYWXBECXGHZ-RNCFNFMXSA-N 351.424 2.096 0 1 FEAF O=C(O)[C@@H]1C[C@H]2C[C@@H]([C@H](Cc3nnn[nH]3)c3ccccc3)CC[C@H]2CN1 13756250 IBSIVKVUENWMSI-SIRPWMCASA-N 355.442 2.005 0 1 FEAF COc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1N 28955405 CFJYHRFKXYFAIQ-UHFFFAOYSA-N 366.421 2.398 0 1 FEAF Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2cccnc2)no1 110835179 VKXHBLMZMJLFNL-GJZGRUSLSA-N 351.318 2.127 0 1 FEAF C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCC[C@@H]1C(N)=O 2356303010 JONKFVJKJNMMEM-JOYOIKCWSA-N 363.801 2.138 0 1 FEAF Cn1c(CO[C@@H]2CN(C(=O)c3cccnc3)C[C@@H]2F)nc2ccccc21 2356330571 SXTAQFXYQGWQRZ-WMLDXEAASA-N 354.385 2.348 0 1 FEAF Cc1ccc(-c2cccc3c(O)oc(=O)c(C(=O)NCC(=O)O)c23)cc1 114872827 CCVJXBNRIUOSRW-UHFFFAOYSA-N 353.330 2.288 0 1 FEAF CC=C(C)C(=O)O[C@H](C)[C@](O)(C(=O)OC[C@H]1CCN2CCC[C@H]12)C(C)C 2356698174 LOIDBGQADXQLMY-VIPLHTEESA-N 367.486 2.299 0 1 FEAF CO[C@H]1O[C@@H](OC)C2=C1[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](OC(C)=O)[C@H]2O 2356786151 ZEDMMLGFFDFHCX-NXHUNJGVSA-N 354.443 2.397 0 1 FEAF Fc1ncncc1Cn1nc(-c2nc(C(F)(F)F)n[nH]2)c2cccnc21 73198053 CHEBBVSCEDOCRB-UHFFFAOYSA-N 364.266 2.213 0 1 FEAF C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(C)=O)N(C(=O)C3CC3)[C@H]2CO)cc1 95871843 HMSAMPDYDGLPOA-GUDQURTESA-N 356.466 2.263 0 1 FEAF O=C(O)CCOc1ccc(CCc2ccc3c(O)nc(O)nc3n2)cc1 587559984 RYISYDLDTRJNOH-UHFFFAOYSA-N 355.350 2.075 0 1 FEAF CCOC(=O)[C@@]1(C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587800812 ZNKQKGMMSBLQQE-GLEZIHRCSA-N 358.207 2.470 0 1 FEAF CN1C=C[C@@]2(C(C(N)=O)=C1)c1cccc(F)c1CCN2[C@H]1CCSC1 962695868 GEICXNKSVQRBLU-DJJJIMSYSA-N 359.470 2.213 0 1 FEAF COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 12479514 FWEZMLNSRBCOQP-MAUKXSAKSA-N 370.449 2.427 0 3 FEAF O=C(O)Cc1nn(Cc2nc3cc(F)cc(F)c3o2)c(=O)c2ccccc12 13448970 GDULRSFIHLMHJW-UHFFFAOYSA-N 371.299 2.491 0 1 FEAF CCCSc1nc(OCC)c2[nH]c(=O)c(=O)n(Cc3ccccc3)c2n1 1857643964 BHWQABMOLJBYJR-UHFFFAOYSA-N 372.450 2.429 0 1 FEAF Cc1cc(C)c(S(=O)(=O)N(CCCCCN)OCCCN)c(C)c1 1653374 HHFLYEZCKPVTDT-UHFFFAOYSA-N 357.520 2.012 0 1 FEAF CNC[C@@H]1C=CN(C(=N)NC)C[C@]12[C@H]1CC[C@H](C)[C@@]23CCC(C(=O)O)=C3C1 2356363428 JPVNSRMWLRYAAZ-VMRCMBGLSA-N 372.513 2.403 0 1 FEAF O=C1[C@H]2C[C@@H](CN2C(=O)C2CC2)Oc2ccccc2N1Cc1cccnc1 2356503986 BDSMTTGNASMJSA-FUHWJXTLSA-N 363.417 2.387 0 1 FEAF COc1c(O)cc2c(c1O)C(=O)[C@H](OC(C)=O)[C@H](c1ccc(O)cc1)O2 10257220 SZKFMAOEZUMSRT-WMZOPIPTSA-N 360.318 2.060 0 1 FEAF biogenic Cc1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccc(Cl)cc2)n1 2356624326 AVYNEWQZTJGZME-MANSERQUSA-N 361.873 2.129 0 1 FEAF COC[C@@H]1CCCN1C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1 2356854790 RSIJLFBFNWOKOK-JSXRDJHFSA-N 371.525 2.238 0 1 FEAF Cn1nc(N2CCCC2)nc1CCc1nc2cc(C(F)(F)F)ccn2n1 210679100 POUOTVCJVXEPPV-UHFFFAOYSA-N 365.363 2.262 0 1 FEAF CCN(CC)CCNC(=O)CCN1C(=O)c2cccc3cccc(c23)C1=O 31847981 ZEJMQNMWEXYAHG-UHFFFAOYSA-N 367.449 2.284 0 1 FEAF COc1ccc(CNc2nc(N3CC[C@H](NC(C)=O)C3)ncc2C)cc1 82203732 JMUFWFGVEOMNRH-INIZCTEOSA-N 355.442 2.121 0 1 FEAF CC(C)CCn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21 40425441 OHSUGNFHIZEZPW-OAHLLOKOSA-N 360.458 2.307 0 1 FEAF COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 144649457 XZGQKWWODUUERO-UHFFFAOYSA-N 366.425 2.468 0 1 FEAF CC[C@](C)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(N)=O 146136507 FGXBBRWUQGILCI-HNNXBMFYSA-N 359.348 2.284 0 1 FEAF COc1ccc2[nH]c(CCNC(=O)c3ccc(-n4cnnc4)cc3)nc2c1 299866544 WDUHSIWHRNGRHX-UHFFFAOYSA-N 362.393 2.125 0 1 FEAF CCN1C(=O)[C@H]2CN(CC(C)C)C[C@@H]2C12CCN(C(=O)NC(C)C)CC2 299842118 DHYITOQTXHHXFJ-IRXDYDNUSA-N 364.534 2.005 0 1 FEAF CCOC(=O)[C@@H](NC(C)=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587514349 WPWLXKALDLSRNN-QUCCMNQESA-N 359.422 2.357 0 1 FEAF COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1-c1cnn(C)c1)[C@@H](C2)C3=O 587430733 GNLDAVHANKWRTE-ORAYPTAESA-N 350.378 2.318 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 587039381 DMMBYHFFMDHFGC-UHFFFAOYSA-N 361.452 2.113 0 1 FEAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cn(S(C)(=O)=O)c3ccccc13)C2 1772596285 RCERFNPFQJIZPT-STQMWFEESA-N 362.451 2.231 0 1 FEAF CC(C)N(CCO)Cc1nc(N2CCOCC2)c2cc(Cl)ccc2n1 11813538 PIIMGLYTUGYKCS-UHFFFAOYSA-N 364.877 2.323 0 1 FEAF CN1C(O)=C(C(=O)Nc2nccs2)c2ccc(Cl)cc2S1(=O)=O 13605534 LVHZZNPJHIVAGD-UHFFFAOYSA-N 371.827 2.296 0 1 FEAF OC(c1ccccc1)(c1ccccc1)c1nnn([C@@H]2CN3CCC2CC3)n1 13725080 NBDBUQWMCVSMHQ-LJQANCHMSA-N 361.449 2.224 0 1 FEAF Cc1cc(NC(=O)Cn2nnc(-c3ccccn3)n2)n(C2CCCCC2)n1 1857562653 QSFHRMBPOXFYDO-UHFFFAOYSA-N 366.429 2.384 0 1 FEAF Cc1ccc(-n2nc(COc3ccc(F)c(C(N)=O)c3F)oc2=O)cc1 1857601601 TULKHUUZGQEWPM-UHFFFAOYSA-N 361.304 2.090 0 1 FEAF CC(C)c1ccc(CCNS(=O)(=O)c2cc(C(=N)N)ccc2O)cc1 589636 NRKZYPGMNRQDCC-UHFFFAOYSA-N 361.467 2.321 0 1 FEAF CC[C@H](CCc1ccccc1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O 8552722 GLTBEVKCDJQDEE-FCGDIQPGSA-N 360.454 2.030 0 1 FEAF Cc1c(OCc2ccncc2)ccc2c(=O)nc(N3CCOCC3)oc12 64454142 BOICQHJHUAUYPO-UHFFFAOYSA-N 353.378 2.307 0 1 FEAF O=C1C[C@H](O)[C@@]23Oc4ccc(O)c5c4[C@@](CCC5=O)(Oc4cccc1c42)O3 2356662660 AVMACGCGOJSYTD-YSSFQJQWSA-N 366.325 2.123 0 1 FEAF COC(=O)COc1ccc(C[C@H](C)NC[C@@H](O)COc2ccccc2)cc1 29466868 KAVTURIWLISQMG-FUHWJXTLSA-N 373.449 2.199 0 1 FEAF CC1(C)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2[C@H](O)[C@H]1O 14559479 DRLOYLLHCWGYLF-RBUKOAKNSA-N 370.357 2.437 0 1 FEAF biogenic Nc1ccnc(N2CCC(n3c(=O)n(CC4CC4)c4cccnc43)CC2)c1 40423289 RIPIWVOJURKQMI-UHFFFAOYSA-N 364.453 2.427 0 1 FEAF CCc1ccc(-c2nc3c(=O)n(Cc4ccccc4)c(=O)nc-3n(C)n2)cc1 96282733 XMHOQMWWBQSINS-UHFFFAOYSA-N 373.416 2.115 0 1 FEAF C[C@H]1C[C@H](O)[C@@]23CO[C@]2(CO)CCC[C@@H]3[C@]12C[C@@H](c1ccoc1)OC2=O 95913743 BWDPEGUHIBSSSY-ZYMINLGHSA-N 362.422 2.203 0 1 FEAF biogenic,in-vitro C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 299823292 DJQLZKDZWLXHRN-IZFMTULVSA-N 352.471 2.178 0 1 FEAF NS(=O)(=O)c1cccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c12 587167565 VRKYMBLMONFNAB-CMDGGOBGSA-N 360.370 2.001 0 1 FEAF C=C(NC(C)=O)c1nc2c(I)cnc(Cl)c2[nH]1 587203283 KNBREBXRDYVYEI-UHFFFAOYSA-N 362.558 2.323 0 1 FEAF O=C1C[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N1CN1CCOCC1 1772641760 UZWUGZKEHRLEIG-IBGZPJMESA-N 364.445 2.483 0 1 FEAF CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCN 13587107 XKOIBCCSEZNHCT-SFHVURJKSA-N 363.502 2.245 0 1 FEAF O=c1n(CCCCCNC[C@@H]2CCc3ccccc3O2)c(O)c2n1CCC2 169725395 HSBHWVSZXUGNDP-KRWDZBQOSA-N 371.481 2.455 0 1 FEAF Cc1cn2c(O)nnc2nc1N1CCC(Oc2ccc3c(c2)COC3)CC1 1857647692 ZZGYJSJVNSAYGW-UHFFFAOYSA-N 367.409 2.216 0 1 FEAF COCc1cc(C[C@@H]2CC[C@@H](O)[C@@H](CNCc3cccc(F)c3)O2)no1 2356390664 CDAPOCMMOKDPMG-QXAKKESOSA-N 364.417 2.201 0 1 FEAF Cc1ccc(-c2cn3c(=O)c4ncn([C@H]5C=C[C@@H](CO)C5)c4nc3[nH]2)cc1 101879252 RCYNSGAFDFZBCX-HIFRSBDPSA-N 361.405 2.457 0 1 FEAF CCOC(=O)[C@@H]1CCCN(C(=O)Cc2nc(-c3ccc(OC)cc3)no2)C1 20921440 YZNBGCSBCQLERL-CQSZACIVSA-N 373.409 2.089 0 1 FEAF CC[C@H](C)[C@H](NC(=O)C[C@H]1CCC(=O)[C@@H]1CC=CCC(=O)O)C(=O)O 2356830337 JGWHHQHWBOQVJU-ZBYUQBLASA-N 353.415 2.008 0 1 FEAF CC(C)CN1CCC[C@H]1c1nc(C2=CN[C](N3CCOCC3)C=C2)no1 2356849057 DXSNJXKQUYLFEA-INIZCTEOSA-N 358.466 2.184 0 1 FEAF COC(=O)[C@@H]1CO[C@](C)(O)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]12 14421001 VMUNRKIMYNVTQO-WDNJLBKPSA-N 370.449 2.231 0 1 FEAF biogenic CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1[C@H]1C[C@H]2CC[C@@H]1C2 95561907 UTCQOVZSZNFTKB-ZOWXZIJZSA-N 373.482 2.365 0 1 FEAF Cc1c(Br)cnc2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc12 587259407 GNEGUUZIVDQZFW-LBPRGKRZSA-N 374.242 2.370 0 1 FEAF CCOC(=O)[C@]1(C(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598305 SZSJBVKPFIWTDV-HNAYVOBHSA-N 356.330 2.245 0 1 FEAF NC(=O)c1cccc2nc(-c3cncc(I)c3)[nH]c12 587184352 IPARFHIOXXKJEI-UHFFFAOYSA-N 364.146 2.328 0 1 FEAF O=C(O)CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCC(O)O 584879874 ZZSBUQYGAPWEOJ-VFLUTPEKSA-N 368.470 2.449 0 1 FEAF in-vitro NS(=O)(=O)c1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587042702 WDYGNOMMFJOREM-DZGCQCFKSA-N 374.491 2.157 0 1 FEAF CN1C(=O)CC[C@@H]1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 1772656973 NKCOXVQAYLNLLJ-MRXNPFEDSA-N 351.410 2.268 0 1 FEAF COc1cccc2c1[C@@H]1C[C@H]3[C@H](CCCN3S(C)(=O)=O)CN1CC2 13820229 FOKPOQXEAZZQDO-PMPSAXMXSA-N 350.484 2.038 0 1 FEAF COc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3cccs3)C(=O)C[C@H]12 206393744 KVZCEAVZYUUKEN-AWEZNQCLSA-N 370.430 2.405 0 3 FEAF O=C(NCCOCCO)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 2480316 XCLBIAFJAWAPFC-UHFFFAOYSA-N 360.341 2.479 0 1 FEAF C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)Cn1ccc2ccccc21 2547583 ZFWHOUCRVSOZJE-CQSZACIVSA-N 371.462 2.355 0 1 FEAF in-vivo Cc1cc(C)n2nc(S(=O)(=O)Nc3cccc4ncccc34)nc2n1 103286351 IJIWXKBLHZAPPI-UHFFFAOYSA-N 354.395 2.090 0 1 FEAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2ncccn2)CC1 2356649268 GZWYMNZDRJCGRY-OTWHNJEPSA-N 372.513 2.362 0 1 FEAF Cc1ccc2c(NC(=O)[C@H](C)O)c(O)c3c(c2n1)C=C[C@]1(C)CCC(=O)N31 2356834793 KEVHVUDICWQEAA-PRWKNARSSA-N 367.405 2.480 0 1 FEAF O=C([C@@H]1C[C@@H](Oc2cccc(F)c2)CN1)N1CCCN(C2CCC2)CC1 49125921 XAQNCLSQQYEQMI-MOPGFXCFSA-N 361.461 2.022 0 1 FEAF CCN1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO 95869548 YXKNAACKMYCBFZ-DYXWJJEUSA-N 354.425 2.484 0 1 FEAF NS(=O)(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 96905484 OFKBAUDTUFJYFH-UHFFFAOYSA-N 371.201 2.441 0 1 FEAF C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@H]2CC[C@H](O)[C@@H]3[C@@]1(C)CC[C@@H]1CCOC1 523041504 GOMXXHNZEQAZQB-ZILVBSDRSA-N 352.471 2.140 0 1 FEAF biogenic Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CC(F)F)cnc2C(N)=O)c1 299861476 LLZHRSCYVOYAIL-NSHDSACASA-N 364.400 2.330 0 1 FEAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](O)C(=O)c2ccccc21 587486928 XXYCTAUWSCHNRG-WIYYLYMNSA-N 366.369 2.332 0 1 FEAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccnc2[nH]1 586965882 ZVDBUBZBHJJNKR-UHFFFAOYSA-N 354.443 2.415 0 1 FEAF NC(=O)c1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587085516 XKJPBOYMRDFBSJ-UHFFFAOYSA-N 356.817 2.489 0 1 FEAF COc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OCCCC(=O)O 587559699 LTOLTLIJLRHURI-UHFFFAOYSA-N 371.349 2.355 0 1 FEAF O=C(C1=C[C@@H](C2CCCCC2)C[C@@H](OCCCCO)O1)N1CCOCC1 13656833 JNEVOPKTGCJUJU-MJGOQNOKSA-N 367.486 2.461 0 3 FEAF N[C@@H](Cc1ccccc1)[C@H](O)CNS(=O)(=O)c1ccc2ccccc2c1 13681950 QSSWSEQPKCCATQ-VQTJNVASSA-N 370.474 2.049 0 1 FEAF in-vivo CCOC(=O)CCCOc1nc(N(C)C)nc2cc(OC)c(OC)cc12 13801036 VBGADQYWLREBNM-UHFFFAOYSA-N 363.414 2.435 0 1 FEAF CS(=O)(=O)c1n[nH]c(-c2cnn(-c3ccccc3)c2C(F)(F)F)n1 1857637909 ORVMMZGPDVSMAP-UHFFFAOYSA-N 357.317 2.080 0 1 FEAF CC=C[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@@H]2[C@]1(C)C(=O)[C@@H]1C(=O)[C@H](CO)N(C)C1=O 2356440008 JTDBLZHVKWRMGZ-FEUAVMRWSA-N 373.493 2.395 0 1 FEAF CC=C1CN2[C@H]3C[C@@]45c6cc(OC)ccc6N[C@@]4(O3)[C@H]2C[C@H]1[C@@H]5C(=O)OC 2356511451 IRMHHGGGRPOHRY-MVLXVGOHSA-N 368.433 2.254 0 1 FEAF COC(=O)C[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCCC1 36080030 NEDJMCCDJOYVNT-AWEZNQCLSA-N 365.426 2.417 0 1 FEAF Cc1ccccc1-c1nc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)co1 72185119 NCMUUIDRXKARGB-SFHVURJKSA-N 355.438 2.473 0 1 FEAF Cc1c(N2C[C@H]3CC[C@@]3(N)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12 1911585344 DXDNBABQEJVPPA-ZUOKHONESA-N 356.445 2.170 0 1 FEAF Cn1c(=O)c2c(nc(Sc3ccc4ccccc4c3)n2C)n(C)c1=O 73200282 OQMXKDJXCQXTQP-UHFFFAOYSA-N 352.419 2.275 0 1 FEAF CC[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(C(C)C)c2=O)N1 82207915 QUXMRYNIGKZXDT-AWEZNQCLSA-N 372.425 2.105 0 1 FEAF Cc1cnc(N)nc1-c1c[nH]c(C(=O)N[C@@H](CCO)c2ccccc2)c1 87612963 BRLUBWWGJGYMMO-HNNXBMFYSA-N 351.410 2.216 0 1 FEAF COc1cccc(-c2cnc(N)c(C(=O)NC(C)(C)C3CCNCC3)n2)c1 84596626 CAUBERYWAYCDCQ-UHFFFAOYSA-N 369.469 2.242 0 1 FEAF O=C(C1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1nccs1 95796602 LUPCTIQIYASSGU-AEFFLSMTSA-N 369.490 2.094 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4nccn4C)ncc23)ccn1 261134886 LVLDXQCCFWOXEZ-UHFFFAOYSA-N 362.397 2.384 0 1 FEAF CC(C)NC(=O)NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCc2ccccc21 43527580 CKBQOFGKIQWNJA-GUDVDZBRSA-N 356.514 2.467 0 1 FEAF biogenic COC(=O)C(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806612 KFBKSLJEJRTIQR-AYVTZFPOSA-N 358.207 2.470 0 1 FEAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 586937883 GPGMFZMWYBFTEG-QMMMGPOBSA-N 373.360 2.355 0 1 FEAF CC(C)(C)OC(=O)N1[C@H](c2ccc3c(O)nc(O)nc3n2)COC1(C)C 587557607 LAYZKXSQIZRQDT-NSHDSACASA-N 362.386 2.481 0 1 FEAF COc1ccc2c(c1OC)[C@](C)(c1cc(C(N)=O)n(C)c1)N(C)[C@@H](C)C2 962575096 VNWQCIGCSZGIDW-YUNKPMOVSA-N 357.454 2.281 0 1 FEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(N1)C(=O)Nc1ccc(F)c(Cl)c12 962908194 UEPUXYBRWGFIEC-GTNSWQLSSA-N 364.735 2.413 0 1 FEAF CC[C@@H](NS(=O)(=O)c1cnn2cc(C)cnc12)c1ccc(OC)cc1 1772631620 ARGXFNRGKUVQQU-OAHLLOKOSA-N 360.439 2.476 0 1 FEAF c1cc(C2CCN(c3nc4nonc4nc3N3CCCC3)CC2)ccn1 11938579 IQZKBCLHHVOVEZ-UHFFFAOYSA-N 351.414 2.392 0 1 FEAF CN(C)[C@H]1CCN(N(Cc2ccncn2)[C@H]2CCCc3cccnc32)C1 1857763531 JWKVNXFCPRWNRC-OALUTQOASA-N 352.486 2.302 0 1 FEAF CCN(CC)[C@H]1CCC[C@H](C(=O)N(C)Cc2cccnc2)CC(=O)N(C)C1 2356435933 UCMLLBBHPGZSBZ-OALUTQOASA-N 374.529 2.399 0 1 FEAF NC(=O)c1cc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1N1CCCCC1 101499644 BDRHHTPONBYHDD-GASCZTMLSA-N 353.422 2.231 0 3 FEAF O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1cccc(Cl)c1 103199635 MVFZBVCFOFAWAT-CQSZACIVSA-N 360.822 2.475 0 1 FEAF O=C(C[C@H]1SC(=O)NC1=O)Nc1nnc(-c2ccc(F)cc2)s1 103284963 JYSKDJBOUWJDHP-MRVPVSSYSA-N 352.372 2.024 0 1 FEAF C[C@@H](CN1CCCCC1)OC(=O)[C@@H]1CCCN1C(=O)C(=O)c1ccccc1 25967614 ILUNHFJNZYNQAL-WMZOPIPTSA-N 372.465 2.278 0 1 FEAF COC(=O)C[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCCC1 36080029 NEDJMCCDJOYVNT-CQSZACIVSA-N 365.426 2.417 0 1 FEAF C[C@@]1(C(=O)O)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO 40951564 BGVJVJFOQALRJT-OHFAWBODSA-N 352.471 2.178 0 1 FEAF CCCCNc1ncc(C(=O)NCCNC(C)=O)c(-c2ccccc2)n1 82133682 QFYNYAWKSDKEBA-UHFFFAOYSA-N 355.442 2.222 0 1 FEAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@@H]1CN(C)C 95711580 VZKDZVNXGYLRRI-YZVOILCLSA-N 373.497 2.431 0 1 FEAF COc1ccc2c(c1)CN[C@H]2CS(=O)(=O)NCc1ccc(F)cc1 96020221 KJWSJAYZKVPZLL-KRWDZBQOSA-N 350.415 2.098 0 3 FEAF C/C=C(\C)C(=O)O[C@H]1C[C@H]2O[C@]23C[C@]2(O)OC(=O)C(C)=C2C[C@]3(C)[C@H]1C 238775396 WATSLMNLAKJSBJ-HMPBHZIWSA-N 362.422 2.404 0 1 FEAF c1cc(-c2n[nH]c3cnc([C@@H]4CCCO4)cc23)nc(N2CCNCC2)c1 473154817 MBDXCSSBRAZUJO-KRWDZBQOSA-N 350.426 2.281 0 1 FEAF OCCN(CCO)c1nc(NCc2ccc(F)cc2)c2ccccc2n1 299841152 YEYGVOFQQAUTEA-UHFFFAOYSA-N 356.401 2.172 0 1 FEAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(N)ncc4[nH]3)cc12 587037656 MFFWNVHFBPEFMC-QMMMGPOBSA-N 355.427 2.288 0 1 FEAF CNS(=O)(=O)c1ccc(CCc2nc3cncc(Cl)c3[nH]2)cc1 586946766 OZCDKTOMIARPOX-UHFFFAOYSA-N 350.831 2.305 0 1 FEAF Nc1nc(Cl)c([C@@H]2NCCc3nc4ccccn4c32)c(N2CCCC2)n1 962991268 UWOFEBARGDYLCB-AWEZNQCLSA-N 369.860 2.195 0 1 FEAF Cc1ncc(Cn2cc(COC(=O)c3cccc(Cl)c3)nn2)c(N)n1 143697971 JAZVVOYMOJUGFU-UHFFFAOYSA-N 358.789 2.017 0 1 FEAF CCc1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3cccc(F)c3)C2)on1 12712665 QBQPQVRSJBGAJD-AWEZNQCLSA-N 359.401 2.431 0 3 FEAF Cn1ncc2cc(-c3cnc(C(=O)N[C@@H]4CCN(C#N)C4)c(F)c3)ccc21 1857550908 KAZVRNMRUXHFSH-OAHLLOKOSA-N 364.384 2.060 0 1 FEAF O=C(Cc1ccccc1)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1 3583354 XEPTXPIQZBLKGK-UHFFFAOYSA-N 371.374 2.083 0 1 FEAF O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NCc1ccco1 4374714 JNNMJLSBXCIOQA-UHFFFAOYSA-N 357.389 2.117 0 3 FEAF CC=C1CN2CC[C@]34c5ccccc5N5C(=O)[C@H](OC)OC[C@H]([C@H]1C[C@@H]23)[C@@H]54 2356720747 IMOHOYNAXXYHHX-AINGINGLSA-N 366.461 2.313 0 1 FEAF C[C@@H]1C(=CCO)C=C[C@@H]2[C@@H]1CC[C@]1(O)[C@]2(C)CC[C@@H](O)[C@@]1(C)C(=O)O 2356722887 SIYWUVAANMMTCY-RCKORDSVSA-N 350.455 2.120 0 1 FEAF COC(=O)C[C@@H]1C[C@@H](C)O[C@H](c2cc(C)c(OC)c3c2COC3=O)O1 2356821406 GAIFOSFDGGZWGW-DDBGAENHSA-N 350.367 2.430 0 1 FEAF c1csc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NCC3CC3)n2)c1 2356873905 YJZZZDLUMVTNJY-SRABZTEZSA-N 358.467 2.151 0 1 FEAF Cc1c(NC(=O)N[C@@H]2CN3CCC2CC3)cccc1C(=O)N1CCCC1 95524013 KEQBMGXSWRKKHI-GOSISDBHSA-N 356.470 2.447 0 1 FEAF CCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)C(=O)COC 95895131 FGZZSXPQOAVEPM-SJBKTWHCSA-N 368.477 2.265 0 1 FEAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(Nc5ccccc5C4=O)[C@@H]3C[C@H]12 238779758 PXVFCFIYPGUUNJ-TVYXCLMRSA-N 368.433 2.220 0 1 FEAF COC(=O)[C@@]12CCCC=C1CN1C(=O)Cc3cc(OC)c(OC)cc3[C@@H]12 85951084 FKYQOSNSDKCQHQ-QUCCMNQESA-N 357.406 2.413 0 1 FEAF biogenic Nc1ncnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc12 587000439 KBHVISIDBAVQKM-JTQLQIEISA-N 372.230 2.421 0 1 FEAF Cc1ccc(CCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1N 587250963 UWLPLFFSOTZCFD-UHFFFAOYSA-N 358.467 2.489 0 1 FEAF CN(C)S(=O)(=O)c1cccc2nc(Cc3csc4nccn34)[nH]c12 587039273 CCTLTSVFEQTTRQ-UHFFFAOYSA-N 361.452 2.113 0 1 FEAF COC(=O)c1cnc([C@@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)s1 962929012 ZSIKYBIICOUUCT-SFHVURJKSA-N 359.451 2.041 0 1 FEAF COC(=O)[C@@H](C)[C@]1(c2cnccn2)NCCc2c(OC)ccc(Cl)c21 963269911 MNKDRQYSNQJZJF-ADLMAVQZSA-N 361.829 2.337 0 1 FEAF O=C1Nc2ccccc2C2=NC[C@@H](CN3CCN(c4ccccc4)CC3)N12 13832331 MDMDMJARXDBLCG-KRWDZBQOSA-N 361.449 2.485 0 1 FEAF CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2ccccc2)c1 17039703 FLSFYHOJHGHMRO-UHFFFAOYSA-N 353.426 2.330 0 1 FEAF COP(=O)(OC)[C@@](O)(c1ccccc1)[C@@H](O)[C@H](O)c1ccccc1 1656851 IFNOFTADTUSLHP-IKGGRYGDSA-N 352.323 2.412 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(O)[C@@H](O)[C@@H]2C1 2356384982 DINUARVDSHDVLN-WFGNUSQISA-N 364.438 2.243 0 1 FEAF COC(=O)[C@]1(CO)C[C@@]23CCCN4CC[C@]5(c6ccccc6N[C@]51CC2)[C@H]43 2356390822 DMLOCDNIVNQNJZ-IWTFSIHTSA-N 368.477 2.292 0 1 FEAF CCNC(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccccc3)on2)CC[C@H]1O 2356423864 DZEFVDKLTSIVDA-NUJGCVRESA-N 359.426 2.112 0 1 FEAF COc1cccc(OC)c1OC(=O)[C@@H](CCSC)N1CCOCC1 40620376 NUVWURSHQYMRSA-CYBMUJFWSA-N 355.456 2.063 0 1 FEAF OC[C@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)C[C@@H]1O 40895045 HDBHMFRRZUEBNH-BQJUDKOJSA-N 358.434 2.299 0 1 FEAF C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)[C@H](C)[C@H](O)CC[C@@H]2C[C@@]23OC(=O)[C@@H](C)[C@@]12O3 85675972 FYNKIYMILKEXOG-DZZOTJDFSA-N 364.438 2.340 0 1 FEAF in-man O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O 195401692 OOFARBRHWMUVAB-ZAWLATJESA-N 354.450 2.290 0 1 FEAF CCOC(=O)c1cnn2c1[nH][n+](=O)c1ccc(OCc3ccccc3)cc12 377815852 OYFUEGOCOHFCLK-UHFFFAOYSA-O 365.369 2.486 0 1 FEAF O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 299872930 LEYDICLFDRATGQ-KBAYOESNSA-N 362.445 2.027 0 1 FEAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cccc(F)c4[nH]3)c2N)C1 586955146 LAOBJWNNSDWHJX-UHFFFAOYSA-N 360.414 2.269 0 1 FEAF C[C@]1(CN2C(=O)CCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581839 JFEZGEQLUPMLCZ-YLJYHZDGSA-N 367.357 2.262 0 1 FEAF CCOC(=O)C[C@]1(CSCC)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963511589 UDKQRVAEFBRWBN-KBXCAEBGSA-N 367.467 2.201 0 1 FEAF Cc1ccc(CNc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1 1772579223 GKNIZGJYLWKLMB-GOSISDBHSA-N 363.417 2.368 0 1 FEAF COC(=O)CN1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O 14947200 UXWHYTWFUNVMOR-UHFFFAOYSA-N 363.167 2.075 0 1 FEAF O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O 12710695 OOFARBRHWMUVAB-KCITZHQASA-N 354.450 2.290 0 1 FEAF CN1CCN(c2cccc3c2CN(S(=O)(=O)c2ccccc2)C3)CC1 1857612243 DLMFTGKXTGDZCJ-UHFFFAOYSA-N 357.479 2.143 0 1 FEAF COc1cccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@@H]3c3ccccc3)N2)c1 4279781 AECZFPYHFOAHRO-KRWDZBQOSA-N 361.405 2.132 0 1 FEAF NNC(=O)C1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 22028596 DUKOOYWBFUINCB-UHFFFAOYSA-N 364.493 2.162 0 1 FEAF N=C(N)c1ccc(-c2ccc([C@]3(O)CC[C@@](O)(CC(=O)O)CC3)cn2)cc1 100043586 OJTSDYXBOGQPQZ-BGYRXZFFSA-N 369.421 2.000 0 1 FEAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@]3(O)C[C@]2(O)C1 2356618492 VYDPZFPZVFZUFI-RJVOLSGPSA-N 364.438 2.387 0 1 FEAF CO[C@@]1(Cc2c[nH]c3cc(Br)ccc23)C(=O)N(C)C(=N)N1C 14854584 QGMVWWCRCSOHMZ-HNNXBMFYSA-N 365.231 2.154 0 1 FEAF biogenic O=S1(=O)C=C(c2ccc(OC(F)(F)F)cc2)S(=O)(=O)CCC1 218302776 DTGPZJQLCSOIOT-UHFFFAOYSA-N 356.343 2.117 0 1 FEAF CC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H](F)C4(CC4)C3)c(F)c2)C(=O)O1 40395732 BLDDCRQUPYWLGK-XJKSGUPXSA-N 365.380 2.225 0 1 FEAF O=C1N[C@@H]2CCN(C(=O)C3CCCCC3)[C@H]2C(=O)N1Cc1ccccc1 25411887 KDMBTGYFHMVTIP-IAGOWNOFSA-N 355.438 2.288 0 1 FEAF biogenic CN(C)C(=O)Oc1ccc2c(=O)n(Cc3ccccc3F)c(=O)oc2c1 653887485 DXZTXYBYRHWVBM-UHFFFAOYSA-N 358.325 2.203 0 1 FEAF COC(=O)c1cccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc12 586935408 GNRSOFXFLCUULG-UHFFFAOYSA-N 362.411 2.031 0 1 FEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1[C@H]1CCS(=O)(=O)C1 587869941 VMIOMTBXDCPXJW-JTQLQIEISA-N 361.345 2.332 0 1 FEAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCC[C@H]2Cn2cncn2)N1 963230879 QKWIERINJXEYQH-YHJVDBJQSA-N 363.421 2.121 0 1 FEAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(C)c1cc[nH]n1 963146865 OQFSMSXZTZFNGB-MGPLVRAMSA-N 364.427 2.376 0 1 FEAF C[C@H]1CN(C(=O)c2coc(CN3CCc4ccccc4C3)n2)C[C@@H](C)O1 19782303 YXVUYOROINMWHQ-GASCZTMLSA-N 355.438 2.482 0 1 FEAF CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](NC(=O)c1ccc(F)cc1)C2 1857585682 VYXYWEODDXYKMZ-HNNXBMFYSA-N 372.444 2.421 0 1 FEAF C[C@@H]1[C@@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1Cl 833595 FGAPXYWEQVSGDJ-KRTXAFLBSA-N 365.792 2.363 0 1 FEAF O=C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1 6580476 JIAWCGZMZNJJMY-IBGZPJMESA-N 366.417 2.326 0 1 FEAF Cc1cc(S(=O)(=O)NC[C@H](O)CN2C[C@H](C)C[C@H]2C)c(C)cc1Cl 28892188 ACZYRGLADZGESO-DFBGVHRSSA-N 374.934 2.326 0 1 FEAF Cc1noc(C)c1-c1n[nH]c2c1CN(S(=O)(=O)c1cccs1)CC2 23620037 IPEUDXBDCZGOSD-UHFFFAOYSA-N 364.452 2.490 0 1 FEAF C/C=C1/CN2C(=O)[C@]3(c4ccc(O)cc4NOC)C[C@H]2[C@@H]2CO[C@H]3C[C@@H]12 103583547 AZOCUYPKKAEAFV-DXBDVCKZSA-N 356.422 2.199 0 1 FEAF biogenic,in-vitro COc1ccc2ccccc2c1CN(C)c1cnc2nc(N)nc(N)c2n1 29224995 YXLWUGFYKYZYDB-UHFFFAOYSA-N 361.409 2.382 0 1 FEAF COc1ccc2c(c1OC)O[C@@H]1COc3cc4c(cc3[C@H]1[C@H]2O)OCO4 2356714018 YYFWIFCWNZFLJJ-ZACQAIPSSA-N 358.346 2.403 0 1 FEAF CC(=O)N1CCC(N2C[C@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)CC1 2356737395 PQUNSWUECODTGS-LPHOPBHVSA-N 374.460 2.421 0 1 FEAF C/C=C1/CN(C)C[C@]2(C(=O)OC)[C@H]1CC(=O)c1[nH]c3ccccc3c1[C@@H]2O 35241607 KYZVNPNCPMAADF-KDZJNRJBSA-N 368.433 2.455 0 1 FEAF CC(=O)c1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 586958586 JTIQFRSOBIQYQK-QGZVFWFLSA-N 359.407 2.234 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CNCn3ccc(N)c32)N1 587770866 RQMYGTLRIVCFJM-FVMDXXJSSA-N 365.250 2.310 0 1 FEAF CCN1C(=O)C[C@@H](c2nc3c[nH]c(=N)[nH]c-3n2)[C@@H]1c1ccccc1Cl 587061556 NFKMKMMVJYRPRU-YGRLFVJLSA-N 356.817 2.448 0 1 FEAF O=C(O)CNS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587216646 IMXVKOWPOCMBAK-UHFFFAOYSA-N 368.414 2.363 0 1 FEAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cnc3n2CCC3)N1 962968699 DIOYRSZERFQJMF-BONVTDFDSA-N 353.756 2.449 0 1 FEAF CCn1ccc([C@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n1 962647106 XWPRKPSXDXHBSN-KGLIPLIRSA-N 355.316 2.490 0 1 FEAF CC1(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)COC1 221637269 JRYQYGRPWRWRKJ-UHFFFAOYSA-N 364.398 2.145 0 1 FEAF COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccc(OC)cc1 13125861 PIKFXEOKMLGVMI-INIZCTEOSA-N 362.382 2.073 0 3 FEAF CCO[C@H]1OC(C(=O)N2CCN(C)CC2)=C[C@@H](C(C)(C)C)[C@@H]1CCCO 13656841 FCKCOMVIDYROGA-FCEWJHQRSA-N 368.518 2.088 0 3 FEAF CC(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C1 17257965 QEHFAHSIVHFASZ-IHRRRGAJSA-N 371.478 2.462 0 1 FEAF COc1cc(C)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 206016429 IQKHAZFXLDBGDT-DOTOQJQBSA-N 372.446 2.427 0 3 FEAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)CO 206108866 WEXPEOSYSQAIMZ-UHFFFAOYSA-N 365.437 2.402 0 1 FEAF CC1CCN(C(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@]2(C)CC[C@H](O)[C@@]3(C)CO)CC1 2356319681 XNXJJKLFGSSXSU-CYGZGYCASA-N 367.530 2.182 0 1 FEAF COc1cccc(NC(=O)CS(=O)(=O)c2cccc3nsnc23)c1 6820517 BOVGODMYQVCLSL-UHFFFAOYSA-N 363.420 2.112 0 3 FEAF CC(=O)N[C@@H]1CCN(c2c(Cl)cnc3[nH]c(-c4cn(C)nc4C)nc23)C1 103273756 XDTMWNUVKUHOQV-LLVKDONJSA-N 373.848 2.035 0 1 FEAF C=C(O[C@@H]1C[C@H]2CC[C@@H]([C@H]1C(=O)O)N2C(=O)CCC(=O)O)c1ccccc1 2356659991 AOIGVXGJIMSALP-YYAJDYIMSA-N 373.405 2.371 0 1 FEAF CN(C)C[C@@H]1O[C@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@@H]1O 2356691535 NXQGYHSPCDAGKY-JBACZVJFSA-N 373.497 2.319 0 1 FEAF CC(=O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)NCc2ccccc2)no1 12482161 JPHPPUIPKAARFN-IRXDYDNUSA-N 355.438 2.352 0 1 FEAF biogenic CC(C)CCN1CCC(CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)CC1 61936177 WOCPCDWHCZZACJ-FQEVSTJZSA-N 371.525 2.314 0 3 FEAF CCOP(=O)(OCC)C(F)(F)[C@@]1(O)N=C(c2ccccc2)NC1=O 82053185 XZGOFTWHGKGFIB-CYBMUJFWSA-N 362.269 2.111 0 1 FEAF Nc1nc(SC2CCCC2)nc2c1[nH]c(=O)c(=O)n2Cc1ccccc1 40866585 AXJAXCOHAVACBZ-UHFFFAOYSA-N 369.450 2.145 0 1 FEAF O=c1[nH]c2cnc(-n3cnc4ccc(Cl)cc43)nc2n1C1CCOCC1 49090004 AVUNZQVPUJFUDR-UHFFFAOYSA-N 370.800 2.463 0 1 FEAF NC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583506 SQNSPOZUHCIHGH-OAHLLOKOSA-N 354.362 2.267 0 1 FEAF CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O 13805189 RKSYQYJUGAQEGE-OALUTQOASA-N 370.449 2.361 0 1 FEAF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 4053687 GUTAYNSVZHYNJE-RYRKJORJSA-N 367.405 2.156 0 1 FEAF O=C(NCCCN1CCCCC1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4374239 HWJGAONCJCMRLA-MRXNPFEDSA-N 362.449 2.106 0 1 FEAF COc1cc2c(cc1OC)[C@]1(O)Cc3ccc4c(c3[C@H]1N(C)CC2)OCO4 2356527678 GLILRKXQDOLYQE-NHCUHLMSSA-N 369.417 2.405 0 1 FEAF CC=C(C)C(=O)O[C@@H]1CC(CO)=CC[C@H](O)C(C)=C[C@@H]2OC(=O)[C@@H](C)[C@@H]21 2356634931 QQVBXEPCEBPLSG-FUJDEKNSSA-N 364.438 2.062 0 1 FEAF COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(F)cc2Cl)C1 61928865 COAWRQWFAYKVRA-KRWDZBQOSA-N 356.825 2.484 0 3 FEAF CC(C)=CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C=C2C(=O)CC[C@@H](C)[C@@]21C 14781772 VZTXGPWRBOVDPF-FJKARMJGSA-N 360.406 2.372 0 1 FEAF biogenic CN(C)C(=O)n1nnnc1CNC(=O)CCCCCCCc1ccccc1 45484264 HIADSYTVDMQHFM-UHFFFAOYSA-N 372.473 2.402 0 1 FEAF COCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](C(C)C)N2 82206387 ZFMIIPMFAMRWJE-OAHLLOKOSA-N 364.490 2.099 0 1 FEAF CCOC(=O)N1CC[C@H]2[C@H](CCCN2CCNC(=O)c2ccccc2)C1 84615467 QXOYDXLFPSDSTJ-MSOLQXFVSA-N 359.470 2.359 0 1 FEAF O=C1N[C@@H]2CCN(C(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 25412481 QRISHAVBCQYEDZ-HZPDHXFCSA-N 353.353 2.165 0 1 FEAF biogenic CO[C@@H]1CC[C@H](c2ccc(C3=C[C@H](CNC(C)=O)OC3=O)cc2)CCC1=O 299807766 ILJHZGAHUBQWII-WRWLIDTKSA-N 371.433 2.373 0 1 FEAF COc1cc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2cc1OC 586929383 FNLWZDVBZCKOOJ-UHFFFAOYSA-N 361.423 2.013 0 1 FEAF O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)C2)[C@@H]1c1ccc(F)cc1 587377541 RZQVYSDVZZUADN-SJLPKXTDSA-N 362.378 2.448 0 1 FEAF Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)c2ccoc2CC[C@@H]1CC(=O)O 963525197 LPQSVVJOVKHVMI-TUXXCZFBSA-N 371.389 2.173 0 1 FEAF COc1ccccc1N1CCN(C2=N[C@H]3CCCCC[C@H]3C(=O)N2)CC1 1857578803 NWRQEDZMNCLLOS-CVEARBPZSA-N 356.470 2.252 0 1 FEAF CC1(C)Oc2cc(NS(=O)(=O)c3ccc(F)cc3)cnc2NC1=O 1857770243 SEYFSBNCEOPYHI-UHFFFAOYSA-N 351.359 2.131 0 1 FEAF CC(C)CC(=O)N1CC[C@@H](CC(=O)O)[C@H](Cc2nc3cnccc3[nH]2)C1 2356379518 XSKWMUNLHBYWNB-UONOGXRCSA-N 358.442 2.486 0 1 FEAF O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1ccc2c(c1)OCCO2 113894463 AJUGSLXCFBLQHE-MRXNPFEDSA-N 350.334 2.132 0 1 FEAF O=C(O)CSCC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 28109964 VPOOWZLOGKXBEH-MRXNPFEDSA-N 357.431 2.415 0 1 FEAF Cn1c(N2CCN3CCc4ccccc4[C@@H]3C2)nc(-c2ccncc2)cc1=O 114416429 NZVZBMYKJMWKOV-FQEVSTJZSA-N 373.460 2.262 0 1 FEAF CC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)C)[C@H](O)[C@@H]2[C@@H]1C 2356322144 ZFKXNBKKSJPZIT-LOMRDDQQSA-N 352.519 2.475 0 1 FEAF CCOC(=O)N1CCC(N2CC[C@@H](NC(=O)c3ccccc3C)C2)CC1 73196663 QRLQPVHEUVXQSD-MRXNPFEDSA-N 359.470 2.420 0 1 FEAF O=S(=O)(c1ccc(F)cc1)c1cccc2oc(N3CCNCC3)nc12 40873300 NHHSRTALXZZTQG-UHFFFAOYSA-N 361.398 2.209 0 1 FEAF C[C@H]1[C@H](O)CC[C@H]2C[C@@H]([C@H](O)CCCCCC[C@@H](O)CC(=O)O)CCN21 85488267 KUWUFIMFEHTJGO-LOXVXLSQSA-N 371.518 2.147 0 1 FEAF biogenic,in-vitro CCc1nc(C(=O)N[C@@H](C(=O)NCc2ccccc2N)C(C)C)cs1 82070019 BFOSXFGHLTWJIB-MRXNPFEDSA-N 360.483 2.359 0 1 FEAF O=C1C[C@]23CCN(CC4CC4)[C@H]4C[C@H](O)[C@@H]1C[C@]42Cc1ccc(O)cc13 95563379 LOXFETCCXNYJIL-XXBFSGCESA-N 353.462 2.401 0 1 FEAF CC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1 261166291 RYZPBBXNXQRHIQ-UHFFFAOYSA-N 353.422 2.373 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(CCO)c2)N1 587760984 ROYRBCOAUMSINZ-PSLIRLAXSA-N 354.223 2.401 0 1 FEAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cn(C)nc1C)[C@@H](C2)C3=O 587433220 WOBXOHRJDHYINY-ZEGWDFLXSA-N 353.422 2.455 0 1 FEAF COC(=O)[C@H](C)n1cccc1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962930569 LWSFYJQNBFBHNG-UGSOOPFHSA-N 355.438 2.159 0 1 FEAF O=C1C[C@@]2(C(=O)N1)c1ccccc1C(=O)N2Cc1c(F)cccc1Cl 13651422 ZMPXDUDTWMNUSI-SFHVURJKSA-N 358.756 2.377 0 1 FEAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C[C@@H](C)O2 14966270 JXDVAXZXKPBBKM-GFCCVEGCSA-N 357.458 2.494 0 1 FEAF COc1cccc2c1S(=O)(=O)c1ccc3[nH]c(C(=O)O)cc(=O)c3c1-2 169319964 GPGGHQOGDQQZLK-UHFFFAOYSA-N 357.343 2.048 0 1 FEAF NS(=O)(=O)c1ccc(O[P@@](=O)(c2ccccc2)N2CCCC2)cc1 1857565246 HQPKNVJWNKZNBY-QHCPKHFHSA-N 366.379 2.327 0 1 FEAF CCc1nn(CC(=O)NCCC(C)C)c(=O)c2cc3c(OC)cccc3n12 6749820 WPWYISDODZVQGM-UHFFFAOYSA-N 370.453 2.383 0 3 FEAF O=C(Cn1ccc2ccccc2c1=O)NCC(=O)Nc1ccc(F)cc1F 6814655 YDEHNHGEYOGGFN-UHFFFAOYSA-N 371.343 2.035 0 3 FEAF O=C1NC(=O)[C@H](Cc2ccc(OCc3nc4ncccc4[nH]3)cc2)S1 26835050 XQQMJTDMCGTLHU-ZDUSSCGKSA-N 354.391 2.431 0 1 FEAF Cc1cc2c(cc1S(=O)(=O)N[C@H]1CCC[C@H](C)[C@@H]1C)OCC(=O)N2 9432331 WOAHIUBITLDPGX-DRZSPHRISA-N 352.456 2.429 0 1 FEAF O=C(N[C@@H]1[C@H](c2cccnc2)C[C@H](O)[C@H]1O)c1cc2ccccc2s1 2356287933 SGBOHKMOXFTOJZ-LBTBCDHLSA-N 354.431 2.304 0 1 FEAF CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(CCCN)c3ccccc13)C2 103097232 GSAVAAKDTVSQKT-MUJYYYPQSA-N 355.486 2.130 0 1 FEAF C[C@H]1C[C@@H](C)CN1C[C@@H](O)CNS(=O)(=O)c1ccc2ccccc2c1 28892125 XTEIDNBHYNANFK-VKJFTORMSA-N 362.495 2.209 0 1 FEAF C[C@H]1C=C[C@H]2[C@H]3C=C[C@@H]4C[C@H](C)CC[C@H]4[C@@]3(C)C(=O)[C@]23C(=O)NC(=O)[C@@]13O 2356875322 ZOSRQAKCEVCQIS-PKNHNROBSA-N 369.461 2.010 0 1 FEAF CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 72315830 IQHKHGHDPGFXAV-MISXGVKJSA-N 359.455 2.323 0 1 FEAF in-vitro CCOC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N1Cc2ccncc2C1 225010140 ZENDXEPJMGDZOR-MRXNPFEDSA-N 358.442 2.365 0 1 FEAF CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)NC1CCCC1)C2 95794509 UDUBVGLVALRKJF-IEBWSBKVSA-N 371.481 2.090 0 1 FEAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1 586939117 NBWPJXGHOOJFFH-LLVKDONJSA-N 372.450 2.406 0 1 FEAF O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1nccs1 150338579 ZMRRWMLGIBHURV-GBOPCIDUSA-N 359.451 2.449 0 1 FEAF COc1cc(Oc2ccccc2CN=c2[nH][nH]c(=N)[nH]2)cc(OC)c1OC 1857593546 JNWNFHGEJCXLAT-UHFFFAOYSA-N 371.397 2.069 0 1 FEAF COc1ccc(OC)c(CN(C(=O)NC2CCCCC2)n2cnnc2)c1 1857753051 RCZWAYFCWCSQAD-UHFFFAOYSA-N 359.430 2.476 0 1 FEAF O=C1C[C@@H]2CCCN2c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2N1 113155622 MCKAOKHMZZEKTH-JTQLQIEISA-N 371.368 2.485 0 1 FEAF CO[C@H]1CC[C@H](c2ccc(C3=C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O 26751702 ILJHZGAHUBQWII-SYNHAJSKSA-N 371.433 2.373 0 1 FEAF O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nccs1 104176690 ZMRRWMLGIBHURV-DDHJSBNISA-N 359.451 2.449 0 3 FEAF aggregator CC[C@@H]1C[C@H]2N3C[C@H]1C[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1C(=O)[C@@H]3O 2356418146 XTVZKOJPJUPJGR-WMMCGCPSSA-N 368.433 2.214 0 1 FEAF Cn1ccnc1CN1C[C@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 2356688726 KFLSJZPCIFAPEQ-WBVHZDCISA-N 352.438 2.199 0 1 FEAF C[C@]12C(=CC[C@@]34COC(=O)[C@@H]3C=CC[C@@H]41)C(=O)O[C@@H](c1ccoc1)[C@@H]2O 35086324 MTBYPAFBFXPPCJ-HAYKSNRISA-N 356.374 2.310 0 1 FEAF CN1CC(N)=N[C@@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1=O 72318807 MRYFMHAPTQCQLE-SFHVURJKSA-N 371.828 2.032 0 1 FEAF CN(C)CCCN1C(=O)c2cccc3c(NCCN(C)C)ccc(c23)C1=O 40980654 YLXNOXYCBDMBHF-UHFFFAOYSA-N 368.481 2.361 0 1 FEAF COCCCN1C[C@H]2[C@H](CNC(=O)c3nc(C(C)C)n4ccccc34)[C@H]2C1 653780392 PIWCAMJYLCDVQL-OSYLJGHBSA-N 370.497 2.402 0 1 FEAF NC[C@@]1(c2nc[nH]c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348383 RLCYIXPJSQIOFO-HNAYVOBHSA-N 368.368 2.050 0 1 FEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CNCn3ccc(N)c32)N1 587765306 CBMOCWMBTLSUMN-FVMDXXJSSA-N 365.250 2.310 0 1 FEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(COC(=O)C(C)(C)C)nn1)O2 587391243 LVMGNBCKJANKTC-OAHLLOKOSA-N 358.398 2.422 0 1 FEAF CN1[C@@H]2COC[C@H]1C[C@@H](OC(=O)c1cn(-c3cn[nH]c3)c3ccccc13)C2 1772578726 JUYYBADVHGNYNY-MIFYACCESA-N 366.421 2.372 0 1 FEAF CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc(C)cc3nc2-1 13220351 JERFGMQIDHYWRR-OAQYLSRUSA-N 362.385 2.388 0 1 FEAF COC(=O)c1[nH]c2ccc(CC[C@@H]3COC(=O)N3)cc2c1CCN(C)C 13605903 RRUQQCLVJXSHIP-CYBMUJFWSA-N 359.426 2.100 0 1 FEAF O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H](O)[C@@H]2CCCC[C@@H]12 169361445 OXOQFLQOQYZUGT-XNJGSVPQSA-N 364.833 2.437 0 1 FEAF COc1ccccc1NC(=O)[C@H]1C(C)=Nc2nnnn2[C@H]1c1ccncc1 169690992 NAKKTXMMMZGXJP-HOTGVXAUSA-N 363.381 2.027 0 1 FEAF CCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC)ccc3C)c2c1C 64426535 UGTNWXCECVALNT-UHFFFAOYSA-N 366.425 2.199 0 1 FEAF C[C@@H]1C(=O)N(C(=O)[C@@H]2C[C@@H]2C)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 38156341 IGUJARIQHGSCCJ-HNWLLIRGSA-N 356.422 2.427 0 1 FEAF C[C@H]1CCC[C@@H](C)N1CCNC(=O)CN1C[C@H](c2ccccc2)CC1=O 40810716 IKRQMPWOBJEDBW-ZIFCJYIRSA-N 357.498 2.382 0 1 FEAF Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1NCCNc1ccccc1 82203770 TUNAMUBRKJESET-OAHLLOKOSA-N 354.458 2.011 0 1 FEAF NS(=O)(=O)c1ccc(-c2cn(-c3ccc(F)c(Cl)c3)nn2)s1 96913513 FTBDJPKWQGOUDB-UHFFFAOYSA-N 358.807 2.436 0 1 FEAF CCOC(=O)[C@H]1[C@H]([C@H](O)c2ccc(OC)cc2)[C@]12C(=O)Nc1ccccc12 473154209 FHGVKQIRFUKYDT-IKVWTGGYSA-N 367.401 2.428 0 1 FEAF CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)C1 299880640 MQADOESZRUHDOX-ZHALLVOQSA-N 367.405 2.108 0 1 FEAF COc1ncnc(N)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573467 BYDXTRUYHOPHTC-GUYCJALGSA-N 365.345 2.476 0 1 FEAF CC1CCC(NS(=O)(=O)Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)CC1 586953277 QXUVXYABWCEERS-GURQAQJRSA-N 365.459 2.285 0 1 FEAF CCOC(=O)CNc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587387939 VAOBDVWLIAGMQX-HNNXBMFYSA-N 356.382 2.049 0 1 FEAF O=C(N[C@@H]1CCCN(Cc2ccccn2)C1)c1ccc2c(c1)OCCO2 11667828 CNTUZUPZVZLJSY-QGZVFWFLSA-N 353.422 2.247 0 1 FEAF Cc1cc(C)n(CCNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)n1 12000247 DJVZUOZOZBNLSF-SFHVURJKSA-N 360.502 2.435 0 3 FEAF O=C1CC[C@@H]2COc3ccc(Cc4n[nH]c(=O)c5c4CCCC5)cc3N12 169172171 ZEUAZPMXRODXMI-CYBMUJFWSA-N 351.406 2.127 0 1 FEAF Cc1c(C(=O)N2C[C@H]2c2ccccc2)cnn1-c1nc(O)c2c(n1)CCC2 1857610728 KOZHHMDUZBPCQK-KEJDIYNNSA-N 361.405 2.362 0 1 FEAF CC(C)[C@@H](CN1CCCC[C@@H]1C)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857628894 ZJGGFNDXNQYSHD-CWFSZBLJSA-N 359.514 2.422 0 1 FEAF C[C@@H]1C(=O)[C@H](O)[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]1(O)CCc1ccoc1 2356443457 MWRCOENTYGAOSI-CDGLBDRCSA-N 350.455 2.326 0 1 FEAF COc1ccc(OC)c(N(C)Cc2cnc3nc(N)nc(N)c3c2C)c1 3814953 ZADZOIWPCBRVKE-UHFFFAOYSA-N 354.414 2.151 0 1 FEAF CCCS(=O)(=O)N1CCc2[nH]nc([C@@H]3COc4ccccc4O3)c2C1 23146015 ZFQOFTVICNQMLM-INIZCTEOSA-N 363.439 2.020 0 1 FEAF CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Nc1ccccc1C(=O)OC 28637492 MINVEOHGGRGCFT-HNNXBMFYSA-N 367.423 2.257 0 1 FEAF O=[S@](Cc1ccccn1)c1nc2ccccc2n1CCN1CCOCC1 26006018 QCGGPOTVUUYAOW-SANMLTNESA-N 370.478 2.071 0 1 FEAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1cccs1 2356298448 CVKVIGHCPLGABW-XHSDSOJGSA-N 371.572 2.079 0 1 FEAF CCCn1c(=O)c2[nH]c(C34CCC(CO)(CC3)CC4)nc2n(CCC)c1=O 36124119 VXNGWYZIFXWTDN-UHFFFAOYSA-N 374.485 2.291 0 1 FEAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cncnc4)ncc23)ccn1 219757486 GQARQPWWRNJHIF-UHFFFAOYSA-N 360.381 2.440 0 1 FEAF COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 194986519 PAALMPCHQXIBEW-MJNLRIBVSA-N 369.461 2.074 0 1 FEAF CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)CC(F)(F)F)C[C@@H]21 95894049 CCQAYRHFWZJQSP-WOSRLPQWSA-N 356.344 2.051 0 1 FEAF CCN(CC)CC(=O)Nc1ccccc1[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O 618016462 QKFUGGCLXOVUFE-LMMKCTJWSA-N 358.486 2.039 0 1 FEAF Cn1ncc2cc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)ccc21 473123215 UHPQRSXUVUVSAD-UHFFFAOYSA-N 360.377 2.443 0 1 FEAF COc1cc2c3c(c1)O[C@H](c1cccc(N4CCOCC4)n1)[C@@H](C2)C3=O 587445357 VWEYYCZZYOCBLJ-XOBRGWDASA-N 352.390 2.416 0 1 FEAF COC(=O)c1cc(OC)ccc1C(=O)c1cc(OC)c(O)cc1C(=O)OC 13372546 JEMVZSPNKODHIQ-UHFFFAOYSA-N 374.345 2.214 0 1 FEAF biogenic CCC(=O)N1CCc2nc(O)n3cc(-c4ccc(OC)cc4)nc3c2C1 13492069 KNNFTIXZKJBCBK-UHFFFAOYSA-N 352.394 2.405 0 1 FEAF CN1CCc2cc3c(cc2[C@H]2O[C@@H](O)c4c(ccc5c4OCO5)[C@@H]21)OCO3 14686698 XUYAYNRYVXHNOQ-NLWGTHIKSA-N 369.373 2.435 0 1 FEAF in-man CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 169710812 PFWKPGQADPWDGT-AOOOYVTPSA-N 370.397 2.387 0 1 FEAF N=c1nc(-c2cc(Cl)ccc2CO)[nH]c(=NCCc2ccccc2)[nH]1 1857604562 AKTDDKKTCGVQOO-UHFFFAOYSA-N 355.829 2.173 0 1 FEAF CC(=O)[C@@H](Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)N(C)C 4164489 RZJZWTPWMILOGJ-OAHLLOKOSA-N 373.413 2.068 0 1 FEAF CCOC(=O)c1cnc2n(c1=O)[C@H](C)CC[C@H]2C(=O)Nc1ccccc1 29307955 SYOBKUNZHAEHLT-TZMCWYRMSA-N 355.394 2.497 0 1 FEAF CN(Cc1ccc(-c2nc3c(c(=O)[nH]2)CNCC3)cc1)Cc1ccco1 23250410 MBMXVKBERAGODF-UHFFFAOYSA-N 350.422 2.308 0 1 FEAF C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 100917075 FBCMKFWBKKWECU-VMUDFCTBSA-N 350.484 2.491 0 1 FEAF Cc1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2cccc(Cl)c2)n1 2356708954 JFQALEVOTKYULN-WJFTUGDTSA-N 361.873 2.129 0 1 FEAF O=c1[nH]c2cccnc2n1C1CCN(C[C@H]2COc3ccccc3O2)CC1 27900637 GSIBGHVZJLPEIO-HNNXBMFYSA-N 366.421 2.202 0 1 FEAF CCCCNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@@H]13)O2 36383556 AVMYCGJNQUPEPM-UGNRZPKXSA-N 354.450 2.193 0 1 FEAF CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@H]3C)n1 218565043 AWKTWOOCLJMRQH-JTQLQIEISA-N 356.361 2.247 0 1 FEAF C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCN 82083509 QPAOHELNRDBRLO-GFCCVEGCSA-N 353.378 2.115 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 587154831 SIEWCKVRXBKQJC-FZKQIMNGSA-N 374.441 2.294 0 1 FEAF O=c1cc(Cn2cc(-n3cnc4ccccc43)nn2)c2ccc(O)cc2o1 1772624506 NPSWXHHJUHHILW-UHFFFAOYSA-N 359.345 2.477 0 1 FEAF c1ccc(-n2c(Cc3cn4ccsc4n3)nnc2N2CCOCC2)cc1 13152643 UGNOLUWFVBYSOO-UHFFFAOYSA-N 366.450 2.404 0 3 FEAF O=C(O)c1nc2c(O)nc3cc(C(F)(F)F)c(-n4cccc4)cc3n2n1 13532593 VNLJSBJQMZYTFD-UHFFFAOYSA-N 363.255 2.491 0 1 FEAF Cc1noc(NS(=O)(=O)c2ccsc2C(=O)O)c1Br 13815552 ITTLWTXFEWOKLP-UHFFFAOYSA-N 367.202 2.306 0 1 FEAF COC(=O)[C@H](CC1CC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 207358347 YDFMRSVZMGEPGB-AWEZNQCLSA-N 359.426 2.214 0 1 FEAF Cc1[nH]c(C)c(S(=O)(=O)N2CCCC[C@H]2C)c1C(=O)N1CCCC1 9684119 LVHOTEXAMRMHLI-GFCCVEGCSA-N 353.488 2.431 0 3 FEAF COc1ccc(Cl)cc1C(=O)NC(=O)NC1C[C@H]2CC[C@H](C1)N2C 101771790 HXTFICGSLXPLSK-CHWSQXEVSA-N 351.834 2.413 0 1 FEAF O=S(=O)(NC[C@H](O)CN1CCC[C@H]1C1CC1)c1cccc2ccccc12 28891880 JMVRBNGGLNYRTP-HKUYNNGSSA-N 374.506 2.353 0 1 FEAF Cc1ccc(CCNS(=O)(=O)c2cc(Br)cnc2N)cc1 20467617 GWBMDMYLYTZTOD-UHFFFAOYSA-N 370.272 2.256 0 3 FEAF CN(C(=O)COc1ccc(Cl)nn1)C1CCN(C[C@@H]2CC2(F)F)CC1 1911580820 IQVHMRPINAMBJU-NSHDSACASA-N 374.819 2.087 0 1 FEAF COc1cc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](CO)[C@@H]2CO)ccc1O 85859100 PDWZFAROGANMAJ-HTZUNMPGSA-N 374.433 2.323 0 1 FEAF biogenic,in-vitro C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 84741811 VIBBHXNFIOPNNL-UHFFFAOYSA-N 371.462 2.322 0 1 FEAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)C1=CC=C[C@H](N2CCCCC2)N1 261077977 BFOZMVDWRUGBLR-OALUTQOASA-N 369.465 2.482 0 1 FEAF O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1 653795362 MXCUFAGAXKMMFJ-UHFFFAOYSA-N 358.341 2.304 0 1 FEAF Cc1csc([C@](O)(Cc2nc3cc(N)c(N)cc3[nH]2)C(F)(F)F)n1 587093469 FGXPUBDBYGQKNV-CYBMUJFWSA-N 357.361 2.485 0 1 FEAF COc1cc2c3c(c1)OC1([C@H]4CC5C[C@H]1CC(C(N)=O)(C5)C4)[C@@H](C2)C3=O 587433942 XNABHMXGQWEGLI-FGKLFQRDSA-N 353.418 2.493 0 1 FEAF COc1cc(CC(=O)O)ccc1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963034081 QJECHWOYNDZDRB-YEJXKQKISA-N 366.417 2.465 0 1 FEAF COc1ccccc1NC(=O)[C@@H]1C(C)=Nc2nnnn2[C@H]1c1ccncc1 169690991 NAKKTXMMMZGXJP-CVEARBPZSA-N 363.381 2.027 0 1 FEAF COCCCNC(=O)[C@@H](C)N1Cc2ccc(-c3cccc(F)c3)nc2C1=O 206018633 AVRKYCFWBMPDMR-CYBMUJFWSA-N 371.412 2.385 0 3 FEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CC(Nc2ccccc2F)C1 1857656260 BVRGMGRRSKEGIE-UHFFFAOYSA-N 350.371 2.039 0 1 FEAF O=c1c2cc(-c3ccccc3)n(-c3ccccc3)c2ncn1C[C@@H](O)CO 1857770952 HLOANKFJZOKFDO-QGZVFWFLSA-N 361.401 2.207 0 1 FEAF Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)o1 2720248 CCBUEZMNRVMVCC-NSHDSACASA-N 364.427 2.051 0 1 FEAF Cc1c(N2CC[C@@]3(C[C@@H]3N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520945 VAWLRSJCKMBZRL-MGPUTAFESA-N 371.412 2.250 0 1 FEAF CC[C@H]1C[C@H]2N3C[C@H]1C[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1C(=O)[C@@H]3O 2356418143 XTVZKOJPJUPJGR-UKISRFAOSA-N 368.433 2.214 0 1 FEAF COCC[C@@H]1[C@@H]2N3CCc4c([nH]c5ccccc45)[C@]2(C(=O)OC)C[C@H]1C3 102039020 VNPGFSWKZRZJCI-KSWFMABOSA-N 354.450 2.492 0 1 FEAF C[C@H]1N(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@]1(C)N 27423169 FNYQALWNSAGHJV-CVJBHZAOSA-N 363.364 2.239 0 1 FEAF CC(=O)S[C@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1cccc(F)c1 27310464 JPSWAPMQXLKILU-UONOGXRCSA-N 367.398 2.122 0 1 FEAF Cn1cc(-c2cnn3c(N)c(-c4ccoc4)c([C@H]4CCCNC4)nc23)cn1 60327543 DEEUOJAGGBEVHK-LBPRGKRZSA-N 363.425 2.439 0 1 FEAF CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccccc1 61923486 DQKNPQVVXSLBCM-MRXNPFEDSA-N 369.465 2.066 0 3 FEAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CC(OC)C4)ncn3)c2c1 225639751 SAWMKIQJBCJEPB-LBPRGKRZSA-N 369.425 2.269 0 1 FEAF O=S1(=O)C=CCN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 96020575 HNKIIPZUYIISNA-UHFFFAOYSA-N 358.345 2.004 0 3 FEAF COC1CCC2(CC1)Cc1ccc(OC3CC3)cc1[C@]21N=C(N)N(C)C1=O 140554375 PAJIOZYNQUNKPI-GSGOXKDTSA-N 369.465 2.341 0 1 FEAF CC1(C)OC(=O)C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586913421 ZBGUAQSKIDXIRT-NSHDSACASA-N 353.382 2.431 0 1 FEAF O=C(O)[C@@]1(CO)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831753 IWBYLFFNNBLHTR-FQEVSTJZSA-N 352.390 2.165 0 1 FEAF Nc1ncnc2c1c(Cc1cc(F)cc(F)c1)nn2CC1CCNCC1 1772605723 YJNHTFUUPURWMM-UHFFFAOYSA-N 358.396 2.277 0 1 FEAF O=C(NS(=O)(=O)c1cccc2ccccc12)c1ccc(C(=O)O)nc1 13450944 PHXYQSJRAGUHAI-UHFFFAOYSA-N 356.359 2.052 0 1 FEAF CC1=Nc2ccccc2[C@@H]1CCNC(=O)c1cnc(N2CCOCC2)nc1 169352258 XMJMAFVJDUWFEO-MRXNPFEDSA-N 365.437 2.323 0 1 FEAF CC(C)[C@H](CC(=O)O)Nc1nc(-c2c[nH]c3ncc(F)cc23)cn(C)c1=O 1857551129 HWOZCCQWZCKADZ-ZDUSSCGKSA-N 373.388 2.374 0 1 FEAF Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)cc12 4873114 AJAWOIFKHOWNCV-GFCCVEGCSA-N 367.379 2.067 0 3 FEAF O=C(O)[C@@H]1C[C@H]2C[C@@H](Sc3ccccc3-c3nnn[nH]3)CC[C@H]2CN1 103271992 WTNAROPMMOUJOB-OPDFLTKYSA-N 359.455 2.190 0 1 FEAF O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)C2CCCC2)[n+]([O-])c1 29571613 SHVNZDOZJFWLCW-UHFFFAOYSA-N 364.398 2.428 0 1 FEAF Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3ccccn3)cn2)c(C)c1 116780155 WDQBRTXTBADQSP-UHFFFAOYSA-N 356.407 2.384 0 1 FEAF CNCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 101972571 YKMOJVPLIUXEIP-RIYHHTFRSA-N 367.493 2.455 0 1 FEAF CO[C@@H]1CC[C@H](c2ccc(N3C[C@@H](CNC(C)=O)CC3=O)cc2)CCC1=O 26753224 XWKBCRDTRAIEOR-WRWLIDTKSA-N 372.465 2.417 0 1 FEAF NCc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2N3)cc1 39187977 SFPCNWQWKOUNRT-UHFFFAOYSA-N 367.428 2.048 0 1 FEAF in-vivo COc1cc(C)c2c(c1O)Oc1c(c(C)c(O)c3c1[C@@H](O)OC3=O)OC2=O 14588325 CAIDWUCHPKFSPM-SFHVURJKSA-N 374.301 2.209 0 1 FEAF biogenic CO[C@H]1Oc2cc(-c3ccc4c(c3)O[C@@H](OC)[C@H]4CO)ccc2[C@@H]1CO 14695321 YQAILVMGIKPPTL-CPLUKWAASA-N 358.390 2.235 0 1 FEAF biogenic C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CNC(=O)CC2CC2)cc1 95895631 QHKKTSVDENPXAS-ZXVFSUFVSA-N 356.466 2.311 0 1 FEAF C[C@@H]1O[C@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@@H](O)C[C@H]1O 253918648 XIOVVYUXTAJUCE-RKYXGNRTSA-N 364.438 2.285 0 3 FEAF C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(F)c2)CC1 618020273 WHVCBNZSLXXMMA-UHFFFAOYSA-N 368.352 2.315 0 1 FEAF COCC1=Nc2ncnn2[C@@H](c2cc(OC)ccc2OC)/C1=C(/O)OC 103538679 NZMRQGGLJUVVKP-RIBQPWQFSA-N 360.370 2.033 0 1 FEAF CNC(=O)OCc1nc(Sc2ccccc2)n(C)c1COC(=O)NC 27186515 KTPMAPZYHVELKF-UHFFFAOYSA-N 364.427 2.283 0 1 FEAF CCOP(=O)(/C=C/Cn1cc(Br)c(=O)[nH]c1=O)OCC 66102367 DLUBXXWLRJXLAG-FNORWQNLSA-N 367.136 2.079 0 1 FEAF OC[C@@H]1O[C@H](n2cnc3c(NC4CCCCC4)cc(Cl)nc32)C[C@H]1O 40491966 VKAISMJLRZBFEC-IPYPFGDCSA-N 366.849 2.470 0 1 FEAF CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(Cc1nccs1)C2 95794666 LJZMEIMDYJOHJD-QAPCUYQASA-N 357.479 2.094 0 1 FEAF CC(=O)N1[C@H](CN(C)C(=O)c2ccccc2F)[C@@H](c2ccccc2)[C@@H]1CO 95895403 ATRGBFQTEIUFSL-HSALFYBXSA-N 370.424 2.273 0 1 FEAF COC(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] 96911108 CQJPDHJTBKRUTN-UHFFFAOYSA-N 357.071 2.219 0 1 FEAF C[C@@H]1CC(=O)N[C@H]2[C@H]1C[C@@H](S(=O)(=O)NCc1ccccc1)C[C@H]2C 618011988 LXBLREYXEKWDHS-XIEICWMBSA-N 350.484 2.045 0 1 FEAF CC(=O)OC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)NC1CCCCC1 653813155 GYBKHIZOHMUQDP-QFQMRYFISA-N 358.438 2.197 0 1 FEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@@H]32)N1 587799797 YRTJZWNKUMAAGA-YOQKAARSSA-N 369.234 2.010 0 1 FEAF C[C@@H](Sc1ncccn1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586963825 RAUPRSRCZBLQHQ-SNVBAGLBSA-N 363.468 2.457 0 1 FEAF O=C(O)c1cccc2c1CCN[C@]2(C[C@H]1COCCN1)c1ccccc1 963147079 NVXJKOGTVQDXLP-HRAATJIYSA-N 352.434 2.153 0 1 FEAF COc1nc(N(C)C)sc1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962929762 XHHBRDQRXWPVKI-CQSZACIVSA-N 360.483 2.155 0 1 FEAF NC(=O)C1CCN(c2cc(O)n(-c3ccc(F)c(Cl)c3)c2O)CC1 169691770 RBATUHZVOGJOLC-UHFFFAOYSA-N 353.781 2.383 0 1 FEAF O=C1CC[C@@H](C(=O)Nc2ncc(Cc3ccccc3Cl)s2)NN1 207160026 UVBPSXSMDNKCCY-LBPRGKRZSA-N 350.831 2.109 0 1 FEAF O=C(O)COc1c(C(=O)O)sc(Br)c1Br 14955073 JBNUJOXGKKSAFH-UHFFFAOYSA-N 359.979 2.435 0 1 FEAF CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)Cc1ccccc1C2 66251132 NUFOHXLLWJBCAF-UHFFFAOYSA-N 357.410 2.461 0 1 FEAF O=C1[C@H]2CCCN2C(=O)N1CCCCNC[C@H]1CCc2ccccc2O1 73198270 IFSDSWUCBOYCCT-IAGOWNOFSA-N 357.454 2.177 0 1 FEAF COc1cc(CNc2nc(N(C)CCN(C)C)ncc2C)cc(OC)c1 82202798 JTZVVURTNDJZCL-UHFFFAOYSA-N 359.474 2.412 0 1 FEAF COc1cc2sc(-c3c(NCCN(C)C)n[nH]c3N)nc2cc1F 114400896 KIKWARFEWVGGRP-UHFFFAOYSA-N 350.423 2.390 0 1 FEAF O=C(O)CCC/C=C\C[C@H](O)/C=C/[C@H](O)[C@H](O)C/C=C\CCCCCO 223074344 ZPPVESFLJWNSHL-AXYAWDPXSA-N 370.486 2.326 0 1 FEAF in-vitro CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(F)cnc3[nH]2)s1 587024278 SKPIKCXZNIVBKJ-UHFFFAOYSA-N 350.379 2.886 0 1 FEAF C[C@]1(CC[C@H](N)C(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335244 KZPUSPWXZRWXAF-XAUMDUMWSA-N 372.396 2.242 0 1 FEAF CC(C)c1nn(C)c2c1[C@](C)(c1ccc(S(C)(=O)=O)c(O)c1)NCC2 962923059 UIFYXVFDCANKSW-SFHVURJKSA-N 363.483 2.062 0 1 FEAF COC(=O)c1cc(N2CCN(C)CC2)cc2[nH]c(-c3ccc(O)cc3)nc12 1772618621 PCGXFUBIBHNNSV-UHFFFAOYSA-N 366.421 2.474 0 1 FEAF COC(=O)[C@@H]1CO[C@@]2(CCO)CC[C@H]3c4[nH]c5ccccc5c4C[C@H]1N3C2 2356459950 GAMRURZRBQMIOC-LNNXQNCSSA-N 370.449 2.170 0 1 FEAF C[C@]12C[C@H](c3ccoc3)O[C@H](O)[C@@H]1CC[C@]13COC(=O)[C@H]1C=CC[C@@]23O 2356691881 ZZEYREBRTKBREJ-IOWKLJEMSA-N 360.406 2.326 0 1 FEAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)C(=O)CC[C@](C)([C@H]23)[C@]1(O)CC[C@@H]1C=COC1=O 2356734267 AFZLENSRRTZYFM-DXZIRAFCSA-N 362.422 2.141 0 1 FEAF CC(=O)NC1(c2ccccc2)CCN(CC(=O)N2CCC(C)CC2)CC1 4981513 BZAQWXWQNIPFID-UHFFFAOYSA-N 357.498 2.372 0 3 FEAF Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2ccccc2)cc1 61902856 BYWGWSAGUTZOBK-IBGZPJMESA-N 372.446 2.105 0 3 FEAF Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@@H]2O 601447 JGYVZUCCBOVDJE-PKOBYXMFSA-N 359.397 2.309 0 1 FEAF O=C(O)CCC[C@H](O)[C@H](O)C=CC=CC=CC=C[C@H](O)CCCCCO 2356343136 JGHYLPPTOXKEKH-OTWHNJEPSA-N 368.470 2.102 0 1 FEAF COc1cc2c(N3C(=O)CCC3=O)c3c(=O)oc(C)cn3c2cc1OC 6750006 IHXUYGJIFONSHG-UHFFFAOYSA-N 356.334 2.025 0 1 FEAF O=C(CCCn1ncn2c(cc3occc32)c1=O)NCc1cccs1 6807628 JMTHUHSFVMKKBH-UHFFFAOYSA-N 356.407 2.400 0 1 FEAF COc1cccc(CNC(=O)CCC2=Nc3ccccc3S(=O)(=O)N2)c1 21880490 HFHDQQKSTQJZKR-UHFFFAOYSA-N 373.434 2.114 0 1 FEAF CCOc1cc(CNC(=O)CC)ccc1OC[C@@H](O)[C@H](C)NC(C)C 28767941 LTGTZHSCRXGWKD-GOEBONIOSA-N 352.475 2.238 0 1 FEAF COc1ccc(-c2nc3c(c(=O)[nH]2)[C@H]2CCN(C(C)=O)C[C@@H]2S3)cc1 28524431 QESYRUAZGKRFRG-KBPBESRZSA-N 357.435 2.256 0 1 FEAF COc1cccc(OS(=O)(=O)c2ccc(N3CCN(C)C3=O)cc2)c1 118388394 FOACXCURSMXTQU-UHFFFAOYSA-N 362.407 2.335 0 1 FEAF CNC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1C(=O)NCc1ccc(F)cc1 2356444873 MSSSPHLNHRQFRF-MOPGFXCFSA-N 369.440 2.394 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 618020256 SFELIFHOICVZQX-UHFFFAOYSA-N 350.362 2.176 0 1 FEAF COc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc(OC)c1O 587651937 HLBXWGYXWAQZSF-UHFFFAOYSA-N 360.753 2.461 0 1 FEAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cc(O)ccc3[nH]2)cc1 586947480 ZYELHQVVCSULOT-CQSZACIVSA-N 373.434 2.393 0 1 FEAF NS(=O)(=O)c1cccc2nc(-c3cc(Br)cnc3F)[nH]c12 587178108 PZYKPAYRKMESLF-UHFFFAOYSA-N 371.191 2.174 0 1 FEAF COc1ccc(-c2nc3c(N)ncnc3[nH]2)c(I)c1 587179970 KHJHOFNZAFDGMA-UHFFFAOYSA-N 367.150 2.215 0 1 FEAF Cc1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2n1 586947114 SQIQHOMRDALGQO-CQSZACIVSA-N 372.450 2.391 0 1 FEAF O=C(C1CCN(c2ncccn2)CC1)n1ncc2ccc(Cl)cc2c1=O 587655125 SENNUFNNVSZMNK-UHFFFAOYSA-N 369.812 2.397 0 1 FEAF COc1ccc2c(c1)[C@]1(CCN2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963512481 WPCNAMPJXLNRTP-JXFKEZNVSA-N 354.406 2.367 0 1 FEAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccncc2)(c2ncc[nH]2)N1 963228092 MYGHRMAAYHNTPE-RXVVDRJESA-N 371.400 2.244 0 1 FEAF COc1ccc(-n2cnc3c(N[C@@H](CCSC)C(=O)O)ncnc32)cc1 5854254 AUSRVTQSFYFCIT-ZDUSSCGKSA-N 373.438 2.442 0 1 FEAF COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1cccc(OC)c1 13125867 PRYHYKXLJSJGKQ-INIZCTEOSA-N 362.382 2.073 0 3 FEAF COc1cccc2nc(C(F)(F)F)nc(NN3C(=O)C=C(C)C3=O)c12 13587558 QUNDTWAVFFGEKW-UHFFFAOYSA-N 352.272 2.299 0 1 FEAF Cc1cnc(NC(=O)C2=C(O)c3sc(C)cc3S(=O)(=O)N2C)s1 13605504 OPPSZRWPGNJWDK-UHFFFAOYSA-N 371.465 2.321 0 1 FEAF CC(=O)Oc1ccc2c3c1O[C@@H]1[C@@H](OC(C)=O)CC[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169692925 NCXVKLDKUADJPV-CLFNVJJBSA-N 371.433 2.213 0 1 FEAF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C[C@H]([C@@H](C)CO)[C@H]1C[C@@H]23 2356370121 XHXATGWZFXQDLS-FOSCKZSJSA-N 354.450 2.129 0 1 FEAF CC(=O)N[C@@H]1CCN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 2500238 QWWBKQOAJPTBEV-OAHLLOKOSA-N 363.421 2.036 0 1 FEAF CCN(CC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2ccnc12 45321906 UKEADMGOBCPRAU-UHFFFAOYSA-N 366.469 2.116 0 1 FEAF COCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 139132638 JCOLAIJJVAEHKY-UHFFFAOYSA-N 359.401 2.354 0 1 FEAF COc1ccc(CNc2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C)cc1 82203777 YSWRKIOECZECCU-OAHLLOKOSA-N 355.442 2.107 0 1 FEAF CCCCCCNS(=O)(=O)c1ccc2[nH]/c(=N/C(=O)OC)[nH]c2c1 84633592 ZQEUBZTXHYMBNA-UHFFFAOYSA-N 354.432 2.022 0 1 FEAF COC(=O)c1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)C=C[C@]3(C)O2)ccc1Cl 136353715 ATODAEUNOWKXRM-GGNLRSJOSA-N 361.781 2.350 0 1 FEAF CS(=O)(=O)Nc1cccc(Nc2ncnc3cc4c(cc23)OCO4)c1 96914123 HWQNPMYQGBGPNR-UHFFFAOYSA-N 358.379 2.474 0 1 FEAF CN1[C@@H]2O[C@@H](c3cc4c(cc32)OCO4)[C@H]2c3cc4c(cc3[C@H](O)[C@@H]21)OCO4 238755491 QVOJMJUPCVSMKD-LJDSDSDDSA-N 367.357 2.359 0 1 FEAF COC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(C)(C)C 207334042 WHWQEBPAQXENSZ-OAHLLOKOSA-N 361.442 2.460 0 1 FEAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)nc1O 587590164 YCUJKQKWKKKPPN-BBRMVZONSA-N 352.302 2.296 0 1 FEAF COC(=O)CC[C@H](N)c1nc2ccc(I)cc2[nH]1 587259387 KJXGOCBTHHPDNZ-QMMMGPOBSA-N 359.167 2.121 0 1 FEAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(C(N)=O)c3[nH]2)cc1 586940615 BFJMSLQQUJQSTP-KTKRTIGZSA-N 370.434 2.061 0 1 FEAF C[C@@H]1C(=O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 13455888 DLRAPJNZWMSBAN-MLWUJESKSA-N 352.471 2.425 0 1 FEAF biogenic,in-vitro NC(=O)Cc1cn(Cc2ccccc2)c2ccc(OCP(=O)(O)O)cc12 13605127 JOLWEBAMMWTOFS-UHFFFAOYSA-N 374.333 2.231 0 1 FEAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NC[C@@H](O)c2ccccc2)cc1 770253 OXQDEPNRRAIRMF-NQIIRXRSSA-N 367.449 2.343 0 1 FEAF CC1(C)OCN(c2ccc(S(N)(=O)=O)cc2)Cn2c1nc1ccccc12 1633133 WJILRHLBHDDLRJ-UHFFFAOYSA-N 372.450 2.371 0 1 FEAF Cc1cnc(NC(=O)C2=C(O)c3cc(F)ccc3S(=O)(=O)N2C)s1 100998010 OFBRDKLVXRKCAA-UHFFFAOYSA-N 369.399 2.090 0 1 FEAF C=CC(=O)Nc1ccc2ncnc(Nc3ccc(S(N)(=O)=O)cc3)c2c1 103297839 ADLJQEKLAGCZSU-UHFFFAOYSA-N 369.406 2.145 0 1 FEAF COCCC[C@H]1CCCN(C(=O)Cn2c(=O)c(C)nc3ccccc32)C1 20118972 DQKNRUOHXAPDEO-MRXNPFEDSA-N 357.454 2.370 0 1 FEAF COc1cccc(C2(c3cccc(OC)c3)N=C(N)N(C3CC3)C2=O)c1 218573187 SDVAZTGHAISDPQ-UHFFFAOYSA-N 351.406 2.267 0 1 FEAF CCOc1ccc(OCCNC(=O)COc2ccccc2C(=O)OC)cc1 7096964 RTKHBSGYCJKCSY-UHFFFAOYSA-N 373.405 2.446 0 1 FEAF biogenic Nc1cnc(-c2ccc(-c3ccccc3NS(N)(=O)=O)cc2F)cn1 212111966 UMRNRDYPEXCBAN-UHFFFAOYSA-N 359.386 2.147 0 1 FEAF Nc1ncccc1C(=O)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 84652206 ZYTHRQIDZFTPKA-GOSISDBHSA-N 359.433 2.441 0 1 FEAF COc1cncnc1Nc1ccc(F)c([C@]2(C(F)F)COCC(N)=N2)c1 145303452 UUWNFSRJFSYNFG-INIZCTEOSA-N 367.331 2.216 0 1 FEAF C=CS(=O)(=O)N1CCN(Cc2cc(-c3ccccc3F)no2)CC1 618018159 UDTGLGRYALLDKN-UHFFFAOYSA-N 351.403 2.072 0 1 FEAF Fc1cccc(CCN2CCN(c3ccnc(-n4ccnc4)n3)CC2)c1 299865636 OAOKVKSLVMZWAW-UHFFFAOYSA-N 352.417 2.166 0 1 FEAF COC(=O)[C@H](OC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598860 YOUULCSISXKKKF-FNHZYXHNSA-N 358.346 2.301 0 1 FEAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(O)cccc3[nH]2)cc1 586945953 DHVDFIKFYONDSK-CYBMUJFWSA-N 373.434 2.393 0 1 FEAF CSCC(C)(C)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586969447 RYGIOHBMLIJCPK-UHFFFAOYSA-N 369.512 2.224 0 1 FEAF CC(C)c1nn(C)c2c1[C@H](c1cn(CC(=O)OC(C)(C)C)cn1)NCC2 962919166 KBSYQSFPOLAYPC-SFHVURJKSA-N 359.474 2.317 0 1 FEAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@@H]2CCOC[C@@H]12 169352147 RCVWWPSJYZKVFU-RTBURBONSA-N 353.466 2.489 0 1 FEAF CCc1ccc(NC(=O)N2C[C@@H]3C[C@H](C(=O)N4CCCC4)[C@H](C2)O3)cc1 1857578244 YSIOWASDEKMHDW-BZSNNMDCSA-N 357.454 2.493 0 1 FEAF COc1ccccc1N1CCN(CC(=O)Nc2nc3ccccc3[nH]2)CC1 1857641191 YZKYJECNWUAGPJ-UHFFFAOYSA-N 365.437 2.332 0 1 FEAF O=C(O)C[C@@H](c1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O 19784107 UXFLHBXAOGKMQB-AWEZNQCLSA-N 353.330 2.270 0 1 FEAF Cc1c(N2CC[C@@](C)(N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 3646697 SVKCADFSORRFAD-LJQANCHMSA-N 359.401 2.250 0 1 FEAF Cc1noc(C)c1Cn1cc(NS(=O)(=O)c2ccccc2C#N)cn1 115732304 LXMPDBNMEOSEBZ-UHFFFAOYSA-N 357.395 2.209 0 1 FEAF CC(C)=CCc1c(O)c(C)c(O)c2c1[C@H]([C@@]1(C)C[C@@H](O)C(=O)O1)OC2=O 2356619270 YZBQWOKLCWGSMK-CYXMAGCYSA-N 362.378 2.193 0 1 FEAF COCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(-n3ccnc3)cc2)C1 61896845 SBYWQKJEHAEZKW-FQEVSTJZSA-N 356.470 2.237 0 3 FEAF COc1ccc(OCCCNC2=NC(N)=N[C@@H](c3ccccc3)N2)cc1 71281559 ATWCSIZOAVJZAJ-QGZVFWFLSA-N 353.426 2.026 0 1 FEAF CCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@@H](C(C)C)N2 82224208 ZOCJYJHPHWQHJM-AWEZNQCLSA-N 356.426 2.122 0 1 FEAF CCN(CCOC)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 146483512 QRVRLHHUMVSQEL-UHFFFAOYSA-N 369.412 2.434 0 1 FEAF COc1ccc(OC)c(Cc2ccc3nnc(-c4cnn(C)c4)n3n2)c1 299824317 BBZXOXPQYOQLSM-UHFFFAOYSA-N 350.382 2.133 0 1 FEAF N[C@@H](Cc1nc2c(O)ncnc2[nH]1)c1ccc(Br)cc1F 587144679 PZQPWLMWGIRYKJ-VIFPVBQESA-N 352.167 2.203 0 1 FEAF Cc1cnn(C)c1C(=O)c1c(CO)oc2cc(Br)cnc12 587276704 SGFWGYXKHLQCKK-UHFFFAOYSA-N 350.172 2.356 0 1 FEAF CN(C)S(=O)(=O)CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586932209 WDJMENKDHQUXTM-UHFFFAOYSA-N 357.435 2.228 0 1 FEAF COc1nccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587126411 AJCQJMMDWOBHSF-UHFFFAOYSA-N 358.301 2.322 0 1 FEAF CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1/C=C/c1ccccc1 12436559 WILIVLNMUBRNBN-KDNJZXFESA-N 374.433 2.398 0 1 FEAF O=C1c2ccccc2C2=NC(=S)N[C@H](c3cccc(OCCO)c3)[C@H]12 169726088 NWXXFXZHQVXMSE-JKSUJKDBSA-N 352.415 2.289 0 1 FEAF COc1cc([C@@H]2CC(=O)C[C@H]([C@@H](O)Cc3ccc(O)cc3)O2)ccc1O 205499156 LEJHOEPVTHUFFK-CMKODMSKSA-N 358.390 2.499 0 1 FEAF CCOP(=O)(OCC)[C@@H]1N=C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 1857595406 BXJNWHVUCMPYQT-MJBXVCDLSA-N 350.311 2.469 0 1 FEAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)c(F)c21 5834121 JLLJFRRJDWYHQW-UHFFFAOYSA-N 365.380 2.143 0 1 FEAF C[C@@H](N)[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 13589975 OEGKNKDDNROINP-GHMZBOCLSA-N 359.401 2.347 0 1 FEAF Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCc2ccccc2O1 13677697 LJCOOTYYOAYVGD-VWLOTQADSA-N 361.298 2.185 0 1 FEAF O=S(=O)(NCC(F)(F)F)c1ccc2c(c1)CN[C@H](C(F)(F)F)C2 13686902 BIXICDCKMHPASK-JTQLQIEISA-N 362.295 2.104 0 1 FEAF CC(C)(C)OC(=O)NCC(=O)N1CCN(CCCc2ccccc2)CC1 13782177 KGKCNXZXKPIBOK-UHFFFAOYSA-N 361.486 2.288 0 1 FEAF O=C(CN1CC2(CCCC2)CC1=O)N1CCC(O)(c2ccccc2)CC1 20201889 GSILHVTZSISWQP-UHFFFAOYSA-N 356.466 2.289 0 1 FEAF Cc1cc(O)ccc1-c1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1 29056739 UVYTZSAHTTUFBW-UHFFFAOYSA-N 351.366 2.143 0 1 FEAF CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1O 36124798 QRMYFVCKXAQEDN-LDIYZUBKSA-N 372.417 2.418 0 1 FEAF O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 39009467 FBJWDPKVFZOXHF-UHFFFAOYSA-N 372.264 2.251 0 1 FEAF COc1cc(C[C@H]2COC(=O)[C@@H]2[C@H](O)c2ccc(O)c(OC)c2)ccc1O 43059544 ZZSOKNNVDKKSDE-FASAQXTFSA-N 374.389 2.180 0 1 FEAF CCOP(=O)(OCC)C(F)(F)[C@]1(O)N=C(c2ccccc2)NC1=O 82053186 XZGOFTWHGKGFIB-ZDUSSCGKSA-N 362.269 2.111 0 1 FEAF COc1cc(C2=C(CO)[C@H](CO)Cc3cc(OC)c(O)cc32)ccc1O 238746364 MVYRVPVCSQDWRH-ZDUSSCGKSA-N 358.390 2.074 0 1 FEAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2c1 586909789 MUEJCSFEFYSWGI-LBPRGKRZSA-N 365.455 2.403 0 1 FEAF CS(=O)(=O)Nc1ccccc1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 586950207 RPKYOCGYRSNEAY-UHFFFAOYSA-N 371.344 2.286 0 1 FEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ncnc2O)N1 587779812 WHYXTXQOJQATLX-PWCHPLFNSA-N 354.179 2.413 0 1 FEAF CO[C@@H](C)COC1CCC(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CC1 587952209 MYDIEDHPMYJHTD-HIFPTAJRSA-N 367.471 2.288 0 1 FEAF O[C@@H]1CS[C@@H](n2c(-c3cccs3)nc3c(Cl)ncnc32)[C@@H]1O 653893437 JRQCFTPMXKRGJX-CIQYLNAISA-N 354.844 2.175 0 1 FEAF CC(C)(C)OC(=O)NC[C@@H]1Cc2c3cccc2[C@]2(C=COCC2=O)N1C3 962643848 WOUANFMJQLOISF-XOBRGWDASA-N 356.422 2.260 0 1 FEAF COC(=O)c1ccncc1NC(=O)CSc1nc2ccc(OC)cc2[nH]1 1772637032 QXAZFVUQHLLBDX-UHFFFAOYSA-N 372.406 2.484 0 1 FEAF COCCO[C@H]1C=C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5 1772651925 CCFZKAPEUYIPRY-QOGIMEQTSA-N 357.450 2.172 0 1 FEAF CCNC(=O)Nc1cc(N2CCCC2)c(C(=O)Nc2cccnc2)cn1 1857536248 VBIBYFOASQLXQR-UHFFFAOYSA-N 354.414 2.471 0 1 FEAF CN(C)CCC(C)(C)N=c1[nH]c(-c2cc[nH]c(=N)c2)nc2cnccc12 1857608219 TXMPNAKOZUZMDG-UHFFFAOYSA-N 351.458 2.063 0 1 FEAF CC(C)CN1CCN2[C@H](C1)CN(S(=O)(=O)c1ccccc1)CC2(C)C 2356504103 DZQRXIKTSFBCCO-QGZVFWFLSA-N 365.543 2.112 0 1 FEAF CC(C)(C)C(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccccn3)on2)CC[C@@H]1O 2356731962 OTRPJNIHGHUQBJ-HFTRVMKXSA-N 373.453 2.350 0 1 FEAF Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(CCCO)no1 3590213 XXXBDOMGFPYSGD-UHFFFAOYSA-N 371.441 2.418 0 1 FEAF CC=CCCC(=O)O[C@@H]1C=CC2=C[C@]3(O)OC(=O)C(CO)=C3C[C@]2(C)[C@H]1C 2356327655 GDSMAUZWNNFZJH-AUNMJURBSA-N 374.433 2.331 0 1 FEAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)cc1 4049210 AKFGUWYEEONLBK-IEBWSBKVSA-N 354.406 2.286 0 1 FEAF Cc1c(N2CC[C@@]3(C[C@H]3N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 6520946 VAWLRSJCKMBZRL-FOIQADDNSA-N 371.412 2.250 0 1 FEAF CCc1nn(CCCC(=O)NCc2ccco2)c(=O)c2cc3occc3n12 6807414 FWQDUBJYPRDJEK-UHFFFAOYSA-N 368.393 2.494 0 3 FEAF CCN1CCN(c2ncnc3sc(C(=O)N4CCCC4)c(C)c23)CC1 21636644 GGXBGGXJFCHMBC-UHFFFAOYSA-N 359.499 2.378 0 1 FEAF Cc1c(CN)c2cc(F)c(N3C[C@@H]4C[C@]4(N)C3)c(C)c2n(C2CC2)c1=O 1911578440 BTBFRTQVSFZWCG-YUNKPMOVSA-N 356.445 2.088 0 1 FEAF CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1CC(=O)NCc1ccccc1OC 5412867 MRUVCVHLSPQDSV-GJZGRUSLSA-N 368.499 2.009 0 1 FEAF biogenic COc1ccc2nc(C)cc(N3C[C@@H](CNC(=O)C4CC4)OC3=O)c2c1 72119001 HKUDWHCDPNNLCH-CQSZACIVSA-N 355.394 2.403 0 1 FEAF CCCCCCNC(=O)[C@H](N)CCC[C@@H](N)C(=O)NCCCCCC 45187276 JSMOJFLNBGJRIR-IAGOWNOFSA-N 356.555 2.204 0 1 FEAF O=C([C@@H]1C[C@H](Oc2ccc(F)cc2)CN1)N1CCCN(C2CCC2)CC1 72181490 RKXDBMQRODRNSK-OALUTQOASA-N 361.461 2.022 0 1 FEAF CCOc1ccc2cc(-c3nn([C@H]4CCOC4)c(N)c3C(N)=O)cnc2c1 221780098 NUFMUAKSLVYPQF-ZDUSSCGKSA-N 367.409 2.140 0 1 FEAF CCc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCN(C)C3 96174432 JXULWBLTXATVCY-UHFFFAOYSA-N 356.451 2.112 0 1 FEAF C=CC(=O)OC[C@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 621485864 PYRLTOIIMCOGMO-XJKSGUPXSA-N 374.462 2.457 0 1 FEAF C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 621485663 DYTQMCMKTQJLHM-GFCCVEGCSA-N 365.430 2.222 0 1 FEAF COC(=O)[C@H]1CC[C@]2(CC1(C)C)N[C@H](C(=O)O)Cc1cc(C)c(O)cc12 963493386 VWFMUBVDEBXQTN-IAMHBRQHSA-N 361.438 2.494 0 1 FEAF COC(=O)[C@H](CCCNC(=O)c1ccccc1)NC(=O)c1ccccc1 13438258 TZFXRUPMRRWRQX-KRWDZBQOSA-N 354.406 2.168 0 1 FEAF biogenic Cn1c(=O)c2[nH]c(/C=C/c3cccc(C(F)(F)F)c3)nc2n(C)c1=O 13826939 IVFJCYAWKDYFHF-VOTSOKGWSA-N 350.300 2.150 0 1 FEAF C[C@]1(CO)[C@@H](O)CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)O[C@]3(C)CC[C@@H]12 15158642 QTYVPMSAPQBXMM-NQOFJFAASA-N 350.455 2.203 0 1 FEAF biogenic,in-vitro O=C(CCSc1nc2cc(Cl)ccc2o1)N1CCS(=O)(=O)C1 1857552150 ISSSNILCPMXZLN-UHFFFAOYSA-N 360.844 2.178 0 1 FEAF COCCNc1[nH]c(=NCCc2c(C)[nH]c3ccccc23)[nH]c2ncnc1-2 1857564590 TVUJWFWBBDLVQV-UHFFFAOYSA-N 365.441 2.229 0 1 FEAF O[C@H]1[C@H](n2cc(-c3ccccc3)cn2)[C@H]2OC[C@@H](O2)[C@@H]1NCC1CCCC1 2356297217 QBWBFXUJDHYTEW-IFLJBQAJSA-N 369.465 2.356 0 1 FEAF CC=C1CN2C(=O)[C@@]3(c4ccc(O)cc4COC)C[C@H]2[C@H]2CO[C@H]3C[C@@H]12 2356347256 DPANNHCWWLPIRF-HKWIXDGRSA-N 355.434 2.372 0 1 FEAF CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1[nH]cnc1Cl 103169340 DFVFTEOHTYJQPZ-LBPRGKRZSA-N 353.806 2.424 0 1 FEAF C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1CO 103298563 HDGUWQWLWVOPOF-MRVPVSSYSA-N 372.855 2.430 0 1 FEAF COc1ccc(CCNC[C@@H](O)C(=O)Oc2ccccc2C)cc1OC 25971081 QRHJQXLPEOKPSF-MRXNPFEDSA-N 359.422 2.111 0 1 FEAF CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccs4)c3c2)CC1 64393142 DALKVJHTYVRNFB-UHFFFAOYSA-N 362.480 2.209 0 1 FEAF CC1(C)OC(=O)C(Oc2cnccn2)=C1c1ccc(S(C)(=O)=O)cc1 26935369 QTTMATFVNLBTFV-UHFFFAOYSA-N 360.391 2.006 0 1 FEAF CO[C@@H]1CC[C@@H](c2ccc([C@@H]3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O 26823379 WCRVYIZHQXJKDN-TXJVSEOTSA-N 373.449 2.464 0 1 FEAF COCCN1CCC[C@@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1=O 20866143 YPOQLQWNVYCTHC-FQEVSTJZSA-N 355.438 2.269 0 1 FEAF CN1C[C@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2cccnc2)no1 2356828111 ISLQXHDMUOBRJU-CVEARBPZSA-N 367.384 2.446 0 1 FEAF CN[C@@H](C)C(=O)Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccccc1 45245191 SNNNQQHQKSMHBH-AAEUAGOBSA-N 358.467 2.036 0 1 FEAF O=c1nc2c(c[nH]1)[C@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 49069915 XATGEBFFLWFKNJ-XHDPSFHLSA-N 365.842 2.264 0 1 FEAF O=C(C(=O)N1CCN(c2ccncc2)CC1)c1cccc(Br)c1 95566287 LTEQHUZDEBXMJP-UHFFFAOYSA-N 374.238 2.376 0 3 FEAF COC(=O)c1cccc(-c2ccc(Cc3nnn(C(=O)N(C)C)n3)cc2)c1 96258177 RKZPDOBFKFYYCH-UHFFFAOYSA-N 365.393 2.247 0 1 FEAF CN1CCN(c2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(=N)[nH]2)CC1 473154570 IPJZBSGSQMJPDX-AATRIKPKSA-N 364.375 2.225 0 1 FEAF CCOC(=O)c1ncn2c1cc(C(=O)N1CCN(C)CC1)c1ccccc12 653816315 DDRFCEMSAQGUTO-UHFFFAOYSA-N 366.421 2.052 0 1 FEAF CC(C)(C)OC(=O)N1C[C@@H]2CCc3nc4nc(O)nc(O)c4cc3[C@@H]2C1 587558962 VNMVAJWMVLIATC-JOYOIKCWSA-N 358.398 2.333 0 1 FEAF NS(=O)(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587040971 LCAGKNBIQXPFKX-CVEARBPZSA-N 374.491 2.157 0 1 FEAF Cc1n[nH]c(C)c1CCNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 12707349 DFXVWEXLHIJRQT-MRXNPFEDSA-N 372.444 2.263 0 3 FEAF O=C(C1=C[C@@H](C2CC2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 13656811 KYIHSTYPHLACSH-QUCCMNQESA-N 373.449 2.211 0 3 FEAF CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1CC1CCCC1 13758458 ZIXOVDCGSHTMRG-UHFFFAOYSA-N 372.421 2.366 0 1 FEAF CCOc1n[nH]c2c(F)c(NC(=O)N[C@H](CO)c3ccccc3)ncc12 209390445 RNVCURIZNSXAOV-GFCCVEGCSA-N 359.361 2.351 0 1 FEAF O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1S(=O)(=O)c1ccc(F)cc1 1857534624 MZSYIZYIXBOKBR-GOSISDBHSA-N 374.393 2.298 0 1 FEAF CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@H]1c1ccc(C)cc1 1857546831 QKLBYWJMKXBNLZ-SFHVURJKSA-N 373.434 2.275 0 1 FEAF C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccnn4)c(=O)n1c23 1857554074 AOYOLBLORDNILR-JTQLQIEISA-N 368.368 2.073 0 1 FEAF CC=C1CO[C@H](O)[C@]2(C(=O)OC)[C@H]1C[C@@H]1NCCc3c1n2c1ccccc31 2356377713 JNERBODVRAQESP-SNHGZMDHSA-N 368.433 2.011 0 1 FEAF CN1Cc2ccc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)cc2C1=O 103234929 XVKZCQFWQOMPMC-NTUHNPAUSA-N 355.444 2.346 0 1 FEAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)C1CCCCC1 61902938 MSSFZRZHDICBFH-GOSISDBHSA-N 364.467 2.063 0 3 FEAF NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCO2 29047604 FYRQVFPRGMKFAC-LAUBAEHRSA-N 350.418 2.217 0 1 FEAF C[C@H]1CCN(C(=O)[C@@H]2CCC(=O)C2)C[C@@H]1N(C)c1ncnc2[nH]ccc12 38444251 XLWYJSMYNALODL-ZENOOKHLSA-N 355.442 2.000 0 1 FEAF Cc1cc(Nc2nc([S@](C)=O)cn3c(-c4cn[nH]c4)cnc23)sn1 72111212 XLKQULZCNWBLGW-XMMPIXPASA-N 359.440 2.365 0 1 FEAF N[C@@H](Cc1c(C(=O)O)noc1CCc1ccc2ccccc2c1)C(=O)O 45374325 JFFGMMHKHNXQAF-HNNXBMFYSA-N 354.362 2.266 0 1 FEAF O=C(O)CCC/C=C\C[C@H](O)/C=C/[C@@H](O)[C@H](O)C/C=C\CCCCCO 223074270 ZPPVESFLJWNSHL-QKSQDDKUSA-N 370.486 2.326 0 1 FEAF in-vitro CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc3cc[nH]c3c2)n1 95584405 NRKVQDOIIAADQP-UHFFFAOYSA-N 372.450 2.006 0 1 FEAF C[C@@H]1Oc2ccc(-c3cccnc3F)cc2[C@@]2(COC(N)=N2)C12COC2 149272116 GBWBGGRZIJBHOV-WLRWDXFRSA-N 355.369 2.225 0 1 FEAF Cc1ccc(C)c(-n2ncc(NCCN3CCOCC3)c(Cl)c2=O)c1 261154280 PPCJCEMFTKGISF-UHFFFAOYSA-N 362.861 2.247 0 1 FEAF COC(=O)[C@@H]1C[C@@]2(CCN1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587789971 FAXRYXYBCJYEMV-AUYAEMIRSA-N 371.250 2.243 0 1 FEAF N=c1[nH]c2nc(-c3nc(Cl)cnc3Br)nc-2c(Cl)[nH]1 587005508 KFYIDTCUORIXCW-UHFFFAOYSA-N 360.990 2.243 0 1 FEAF CCOC(=O)C1=CN(C)C(=O)C[C@@]12c1ccc(F)cc1C[C@H]1CCCN12 963112085 WOIGTUBJRMXDGI-FOIQADDNSA-N 358.413 2.351 0 1 FEAF O=C(O)[C@@](F)(Cc1cnc2cc(-c3ccccc3)ccn12)P(=O)(O)O 1772578089 BGPIJPLPAPWHBP-MRXNPFEDSA-N 364.269 2.472 0 1 FEAF CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(Cc2ccccc2)c1=O 13475099 ZOGPOQHYQBSBBL-UHFFFAOYSA-N 364.405 2.278 0 1 FEAF Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@@H]2OC(=O)[C@@H](O)[C@@H]2O)cc1C 17424297 ASVMLLDTIZTDOP-TUFLPTIASA-N 370.445 2.060 0 3 FEAF Cc1ccc(-c2cc3ncn(C)c(=O)c3c(=NC[C@H]3CCCNC3)[nH]2)cc1 1857583145 HQXRVTFLFJNGAV-HNNXBMFYSA-N 363.465 2.137 0 1 FEAF CCCCc1nc2c(=N)[nH]c3cc(C(=O)OC)ccc3c2n1CCCN 1857630179 QQEFVKIKYNWRHF-UHFFFAOYSA-N 355.442 2.475 0 1 FEAF O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCCc1ccccc1Cl 4119178 QFYPAKIXVQWMJY-DACLVMHWSA-N 372.852 2.196 0 1 FEAF C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(F)cc1 4493137 XNBHGVSAMHOXJW-NSHDSACASA-N 369.352 2.175 0 3 FEAF C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(F)c1 7564182 PDFSMQHQCAYHGT-ZENOOKHLSA-N 364.417 2.182 0 1 FEAF Cc1c(C(N)=O)sc2ncnc(Nc3cccnc3O[C@H](C)CCN)c12 118820203 HTVNCUQKQNWSAE-SECBINFHSA-N 372.454 2.353 0 1 FEAF COC(=O)C1=CO[C@H](C)[C@@H]2[C@@H]1C[C@@H]1c3[nH]c4ccccc4c3CCN1[C@H]2O 2356581568 AUJVVPBGBOEYGD-YYZVKXLYSA-N 368.433 2.497 0 1 FEAF COc1cc2c(c3occc13)C[C@@H]1OC(=O)[C@]3(C)[C@H]1[C@]21CC[C@@]3(O)OC1 2356678131 UNPXGINTSIBWLZ-MGFONVBGSA-N 356.374 2.296 0 1 FEAF COc1ccc(CCNc2nc(N3CCN(C)CC3)ncc2C)cc1OC 82202785 WUTGCGIFKQNNIS-UHFFFAOYSA-N 371.485 2.209 0 1 FEAF COc1ccc(CNc2nc(N3CC[C@@H](NC(C)=O)C3)ncc2C)cc1 82203733 JMUFWFGVEOMNRH-MRXNPFEDSA-N 355.442 2.121 0 1 FEAF CCOc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1 653698615 LORUERPJRBTXGC-UHFFFAOYSA-N 354.454 2.032 0 1 FEAF Cc1cc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c(C)n1 587133800 AMTKBHCFZSNEDO-UHFFFAOYSA-N 370.356 2.471 0 1 FEAF O=C(NC1CCCCCCC1)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 13131907 KZZFMLSTOOYMMN-AWEZNQCLSA-N 368.503 2.040 0 3 FEAF CCN1C(NCCOC)=N[C@@H](CCc2ccccc2)[C@H](C(=O)OC)[C@H]1C 15937413 QADQIRYLHBOIOH-BPQIPLTHSA-N 361.486 2.093 0 3 FEAF NC1=N[C@@]2(c3ccc(F)s3)CN(c3ncc(F)cn3)C[C@H]2CS1 169703446 JAMTWNNXSYYPCZ-RTHLEPHNSA-N 353.423 2.210 0 1 FEAF COC(=O)C1=CC[C@H]2[C@H](C(=O)OC)CC[C@]2(C)CC(O)=C1C(=O)OC 6482767 DUFOOXBFUWJHHD-GDAOTKPNSA-N 352.383 2.070 0 1 FEAF COc1ccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 6892693 AEXNURYMVGBKOZ-UHFFFAOYSA-N 364.448 2.218 0 3 FEAF CCCNC(=O)Cn1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O 6944548 NZSBCPZINXSGBT-UHFFFAOYSA-N 353.426 2.034 0 1 FEAF CNc1nc(N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)ncc1F 23380016 RAXSBUSYAWWFOO-SJORKVTESA-N 371.460 2.173 0 1 FEAF C[C@@H]1C(=CCO)C=C[C@@H]2[C@@H]1CC[C@@]1(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]21C 2356722886 SIYWUVAANMMTCY-NMHFYHDDSA-N 350.455 2.120 0 1 FEAF c1cncc([C@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@H]3C2)c1 22574774 QWKFMUSZCHWAPD-RBUKOAKNSA-N 367.501 2.443 0 3 FEAF O=C(c1ccc(-c2ccc(=O)[nH]n2)cc1)N1CCC[C@H]1CN1CCCC1 72179772 PFUUFYSHBVAVRF-KRWDZBQOSA-N 352.438 2.137 0 1 FEAF COc1cc([C@H]2c3cc(O)c(OC)cc3C=C(CO)[C@H]2CO)ccc1O 14435384 AKOLXLNVZGAYAV-QRWLVFNGSA-N 358.390 2.245 0 1 FEAF biogenic C/C=C(\C)C(=O)O[C@H]1[C@]23O[C@@]2(C[C@H]2CC[C@H](O)[C@H](C)[C@@]21C)OC(=O)[C@H]3C 257421588 FYNKIYMILKEXOG-BFOMCEALSA-N 364.438 2.340 0 1 FEAF endogenous,in-man O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O[C@H]1CCOC1 653875534 PAMMCLXVBWLYOZ-OALUTQOASA-N 369.417 2.125 0 1 FEAF COc1cc2c3c(c1)O[C@@](C)(c1cc(S(N)(=O)=O)ccc1C)[C@@H](C2)C3=O 587447504 APPAZOXVJZOADG-KXBFYZLASA-N 373.430 2.314 0 1 FEAF NS(=O)(=O)c1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587042705 WDYGNOMMFJOREM-ZFWWWQNUSA-N 374.491 2.157 0 1 FEAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@]2(CCn3ccnc32)N1 962647906 ZBEINMXIMFBETL-WFASDCNBSA-N 353.300 2.028 0 1 FEAF Cc1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1 13657471 WBISOWJUAJRSMF-LBPRGKRZSA-N 372.425 2.430 0 3 FEAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@@H](CO)[C@@H]2OC(=O)C(O)=C2O)cc1 169350030 YNKKAGIHMCBODM-YLVFBTJISA-N 364.394 2.146 0 1 FEAF CC(C)CC(=O)C(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)CN1CCCCC1 25969745 PWJBLHDWOGSHTN-IAGOWNOFSA-N 366.502 2.400 0 1 FEAF CCNc1nc(-c2ccc(S(=O)(=O)CC)cc2)cc2ncn(C)c(=O)c12 115626571 PEFMLDAULGGTHP-UHFFFAOYSA-N 372.450 2.221 0 1 FEAF O=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CCOCC1 20581070 MVRXZROXQCZCEQ-UHFFFAOYSA-N 368.358 2.443 0 1 FEAF COc1cc([C@@H]2c3cc(OC)c(OC)cc3C[C@H](CO)[C@@H]2CO)ccc1O 14435308 PDWZFAROGANMAJ-IVZHQMGZSA-N 374.433 2.323 0 1 FEAF biogenic COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3[C@@H](O)[C@H]12 14415630 HBPNZWWAQVKYPJ-KVJONVAJSA-N 368.433 2.150 0 1 FEAF biogenic O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)Nc1cnc2ccccc2c1 195331111 ZJEUUDOBFLQKBE-RDOJUESESA-N 373.412 2.226 0 1 FEAF CNc1ccnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12 84615641 AYZDPOMQBWHYHE-UHFFFAOYSA-N 353.426 2.378 0 1 FEAF CN(C)S(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1 587252024 UNUDIUVISLJZHO-UHFFFAOYSA-N 372.450 2.211 0 1 FEAF O=S(=O)(NCCc1nc2cncnc2[nH]1)c1c(Cl)cccc1Cl 586942800 OMJJIBMTLFOKFF-UHFFFAOYSA-N 372.237 2.181 0 1 FEAF COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@@]314 169367587 ZBAQMFALLMLPSC-BRKWEVRTSA-N 369.461 2.219 0 1 FEAF O=C(CC1(Cc2ccccc2)C2CC3CC1CC(C2)C3O)N1CC(O)C1 202366340 TUDXSLUOQMCPRD-UHFFFAOYSA-N 355.478 2.236 0 1 FEAF CCOc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1 1857640441 MGEBVTZNSCZOCM-UHFFFAOYSA-N 354.454 2.032 0 1 FEAF Cc1cnc(CNc2cc(-c3cccc(NS(C)(=O)=O)c3)ncn2)cn1 4257393 BRNPJXUTQYAVPJ-UHFFFAOYSA-N 370.438 2.226 0 1 FEAF C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12 13326086 SNZRAKOFDSGBRF-JHSIELHPSA-N 358.390 2.039 0 1 FEAF biogenic C[C@H]1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@]12C[C@@]1(COC(=O)C1)CO2 13643314 QHYFPLAXWXWDJP-REWVTSRDSA-N 352.471 2.285 0 1 FEAF COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc(O)c(O)c2)cc(OC)c1O 14646689 VVACDMRLZWJKNW-KGLIPLIRSA-N 374.389 2.395 0 1 FEAF biogenic CC1(C)[C@@H]2CC[C@]13C(=O)[C@@H]1O[C@@]3(C2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 17191181 ZUGTUFHISUSUOV-XDOAHDPLSA-N 351.402 2.339 0 1 FEAF CCCCNC(=O)Cn1ccc2c(O[C@H](C)C(=O)OCC)cccc2c1=O 29048857 JDAFVJFJOSXNSI-CQSZACIVSA-N 374.437 2.248 0 1 FEAF CNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@H](C)C1=O)OCO3 29124484 JNNFGLXWKLJEIC-JTQLQIEISA-N 366.377 2.035 0 1 FEAF CCCn1c(=O)c2[nH]c(C34CCC(O)(CC3)CC4)nc2n(CCC)c1=O 36273965 JMEHHVKPUQMNOZ-UHFFFAOYSA-N 360.458 2.043 0 1 FEAF O=C(O)c1cc(CN2CCC(c3cnccn3)CC2)c2ccccn2c1=O 66078995 WHAZRGXZCFXMQD-UHFFFAOYSA-N 364.405 2.167 0 1 FEAF CCOC(=O)c1ccc(CCN2CCN(c3ccc(C)nn3)CC2)cc1 72124550 OVAQFRBRJLIFFI-UHFFFAOYSA-N 354.454 2.326 0 1 FEAF CN1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 87722540 HWTUNQDAJZKKAS-DZLVSBGCSA-N 353.466 2.158 0 1 FEAF O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=N[C@H]2CCOC[C@@H]12 169352149 RCVWWPSJYZKVFU-MOPGFXCFSA-N 353.466 2.489 0 1 FEAF CC(C)(C)OC(=O)N1C[C@H](c2nc3c(O)nc(S)nc3[nH]2)C(F)(F)C1 587132429 QFLCYXCMSCHZEF-ZCFIWIBFSA-N 373.385 2.317 0 1 FEAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587232586 ZULJCDOJEDIITJ-ZENOOKHLSA-N 359.430 2.323 0 1 FEAF COc1cccc(C(=O)N2CCN(c3nc4cc(N)ccc4o3)CC2)c1 1857541396 UEODAJCUTWAUHT-UHFFFAOYSA-N 352.394 2.381 0 1 FEAF O=C(O)C[C@@H](c1ccc(F)cc1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1857632583 VVWDUEXBSBSGEF-AWEZNQCLSA-N 357.293 2.336 0 1 FEAF Cc1c2c(N)c(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)ccc2nn1C 1911580271 ACDNCVGTRQWKMN-UHFFFAOYSA-N 371.391 2.361 0 1 FEAF COc1ccc2nc(CO[C@H]3CN(Cc4nccn4C)C[C@@H]3F)[nH]c2c1 2356697343 FELIIWBEOOHFKO-BBRMVZONSA-N 359.405 2.044 0 1 FEAF COc1ccc2c(c1)[C@]1(N=c3ccccc3=C3Nc4ccccc4N31)C(=O)N2 104028221 RCUMZEPWJWEHLR-JOCHJYFZSA-N 368.396 2.131 0 3 FEAF O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 4197010 IHVSYGJVGWCWRK-ZACQAIPSSA-N 374.437 2.425 0 1 FEAF C[C@@H](CNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)o1)c1ccccc1 6974000 BDRFVBARFQXOKH-LBPRGKRZSA-N 359.407 2.112 0 1 FEAF C[C@@H](C(=O)/N=c1\sc2ccccc2n1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 100468436 CCKDKMSKFQFKFL-VERVAGAHSA-N 369.446 2.007 0 1 FEAF CC=C1CN2[C@H]3C[C@@]45c6ccccc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@H]5C(=O)OC 2356429678 DSIOBDCLSMIECF-RBXHMHSTSA-N 352.434 2.270 0 1 FEAF CSCC[C@H](CO)NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O 2356671027 LIJVTJRSCIZDLA-NVXWUHKLSA-N 364.511 2.287 0 1 FEAF COC(=O)C1=C[C@@H]2[C@H](O)[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2[C@H](C)O1 2356687277 KHMWMNSPWIVDFD-VWZTWCOZSA-N 368.433 2.150 0 1 FEAF C/C=C/c1cccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)c1 34074903 BFKCEBZOVVJOOM-CQKHJOIJSA-N 368.389 2.330 0 1 FEAF O=C1CC[C@H](c2ccc(O)c3c2C(=O)C[C@@H](O)[C@@H]3O)c2cccc(O)c21 13398724 XSQFLXZDKVXARD-YYYQBBPDSA-N 354.358 2.187 0 1 FEAF biogenic CN1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 299847704 NQQNKHZDFFYPMX-UONOGXRCSA-N 363.849 2.370 0 1 FEAF CC(C)(C)OC(=O)NCCCCCOc1ccc(S(N)(=O)=O)cc1 299841107 XYFXZMDXSWPTDS-UHFFFAOYSA-N 358.460 2.408 0 1 FEAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(N)=O)cc2[nH]1 587193475 BCHODBWYOFGSEI-ZDUSSCGKSA-N 361.446 2.179 0 1 FEAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(C(OC)OC)CC2=O 587478716 HCRCXHVEJPWFEG-GOSISDBHSA-N 352.383 2.231 0 1 FEAF c1ccc(CO[C@H]2CCCN(Cc3nc(-c4cnccn4)no3)C2)nc1 12305165 KBGPYGNAHGQBHL-HNNXBMFYSA-N 352.398 2.103 0 3 FEAF C[C@@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CC(=O)NC2=O)cc1 13642975 YOWFAJOGDAREKF-SNVBAGLBSA-N 353.382 2.086 0 1 FEAF O=C(NCCCO)c1ccc2c(c1)nc(NCCCO)c1ccsc12 167799971 NMTBSSZOVGFFHA-UHFFFAOYSA-N 359.451 2.356 0 1 FEAF COC(=O)CN1CCc2c(sc3nc(-c4c(C)noc4C)nc(O)c23)C1 1857550813 AVXSUHRRPWPCKF-UHFFFAOYSA-N 374.422 2.200 0 1 FEAF CC(=O)NC[C@@H]1CN(c2ccc(C(C)=O)c(Br)c2)C(=O)O1 11524850 BKPPZGBEGUFLOF-LLVKDONJSA-N 355.188 2.113 0 1 FEAF CC1(C)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2[C@@H](O)[C@@H]1O 14559470 DRLOYLLHCWGYLF-MOPGFXCFSA-N 370.357 2.437 0 1 FEAF biogenic CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3sccc3nc2-1 26402229 MOZBJUOBHJHCIP-GOSISDBHSA-N 354.387 2.141 0 1 FEAF Cc1cc(N2CCOCC2)nc2c(C)cc(Cc3cnc(N)nc3N)cc12 29565529 OUIVRNQEJALWSZ-UHFFFAOYSA-N 364.453 2.233 0 1 FEAF CC(C)C[C@@H]1NC(=O)[C@H]([S@](=O)Cc2cccc(C(F)(F)F)c2)C1=O 38208773 OBNRZBKQIUGVRC-YZYGWBJASA-N 361.385 2.436 0 1 FEAF CCc1nc2ccccc2c(=O)n1CCNC(=O)C1=CC(C)(C)NC1(C)C 40466693 PRFZPXHMIARWHR-UHFFFAOYSA-N 368.481 2.162 0 1 FEAF CCN1CCN(CCCC(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)CC1 73196283 OCEWULPIZPQHQJ-UHFFFAOYSA-N 371.525 2.234 0 1 FEAF CC(C)NC(=O)N1[C@@H]2CN(C(=O)C3CCC3)c3ccccc3[C@@H]2[C@@H]1CO 95893509 IOKLGKMDMHJSKZ-SQNIBIBYSA-N 357.454 2.080 0 1 FEAF NC(=O)c1ccc(N[C@H]2CNCC[C@@H]2c2ccc(F)cc2)c2cncnc12 143617460 QXQBUHCSEYQBBD-KDOFPFPSSA-N 365.412 2.425 0 1 FEAF Cc1ccccc1NCc1cccn2c(=O)cc(N3CCOCC3)nc12 473132763 WGPHOYUJNCWSNH-UHFFFAOYSA-N 350.422 2.452 0 1 FEAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cc(=O)n(C)c3ccccc13)NCC2 962929898 IZBMKVHMHWSIHF-NRFANRHFSA-N 361.445 2.475 0 1 FEAF COC(=O)[C@]1(CC(=O)c2ccnn2C)c2ccc(F)cc2C[C@@H]2CCCN21 963094999 BWXJCGDTASGFJZ-YWZLYKJASA-N 371.412 2.221 0 1 FEAF COC(=O)c1ccc(CN2CCC3(CC2)c2nn(C)cc2CCN3C)cc1 963953650 BUEQNIGEOKLOLY-UHFFFAOYSA-N 368.481 2.186 0 1 FEAF C[C@@]1(C(=O)O)[C@H]2CC[C@@H]3C[C@H]4C[C@]3(CC[C@@]4(O)C(=O)O)[C@]2(C)CC[C@H]1O 2356324902 LYFNKMIDRMKGMD-PWRAFWDASA-N 366.454 2.270 0 1 FEAF CN(CCc1ccccc1)CC[C@@H]1CC[C@@H](O)[C@@H](C(=O)N2CCCC2)O1 2356819340 FBMDCRHSXJKUKO-ZCNNSNEGSA-N 360.498 2.082 0 1 FEAF C1=C2OCO[C@@H]2C[C@H]([C@@H]2OC[C@@H]3[C@@H]2CO[C@@H]3[C@@H]2CC[C@H]3OCO[C@H]3C2)C1 2356823778 GOSCVQNXHKJPRS-ZZITWBARSA-N 364.438 2.225 0 1 FEAF O=C(Nc1nccs1)c1[nH]cnc1C(=O)N1CCc2ccccc2C1 36387794 CPICWGTYXBYFQI-UHFFFAOYSA-N 353.407 2.317 0 3 FEAF