smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1[nH]c2ccccc2c1CC(=O)NCc1ccccc1-n1cncn1 218557537 FUXGZNKAGABQSC-UHFFFAOYSA-N 345.406 2.916 70 50 EFIA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N(C)Cc1cc[nH]n1)O2 217765605 RVKWQUMEADPXKG-IBGZPJMESA-N 343.427 2.783 70 50 EFIA Cc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)o1 216970224 SNXYKZRLUQTGPJ-HIFRSBDPSA-N 331.441 2.668 70 50 EFIA O=C(Cn1ncc2ccccc21)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 218662646 PJGBNPVRVOJLLL-LDTOTXGLSA-N 339.439 2.746 70 50 EFIA Cc1ccc2cc([C@@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)[nH]c2c1 218100622 OQLQIMHDCQOWLM-LBPRGKRZSA-N 337.331 2.539 70 50 EFIA biogenic O=S(=O)(F)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1875368445 RJBMZITZHLQECN-SNVBAGLBSA-N 345.783 2.784 70 50 EFIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1ccc(F)cc1F)C2 218717763 ZWIFPGVVYARXKR-LBPRGKRZSA-N 349.381 2.580 70 50 EFIA Cc1cc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)on1 217942839 KOEVVVDIQIXYND-LJQANCHMSA-N 338.411 2.667 70 50 EFIA COc1ccc(CN2CCCn3nc(CO)cc3C2)c2ccccc12 217426700 KXGNLDSPWYFEOF-UHFFFAOYSA-N 337.423 2.943 70 50 EFIA CN1CC[C@H](NC(=O)NCc2ccco2)[C@@H]1c1ccc(F)c(F)c1 160709578 UJZSPUBWRHVOIN-HOTGVXAUSA-N 335.354 2.802 70 50 EFIA CCSc1nc(CC(=O)NCCCn2nc(C)cc2C)cs1 217636757 WPAZCQFVBWSWFA-UHFFFAOYSA-N 338.502 2.817 70 50 EFIA O=S(=O)(Cl)c1ccc2cc(S(=O)(=O)Cl)ccc2c1 95749444 VPLHHUICIOEESV-UHFFFAOYSA-N 325.194 2.695 70 50 EFIA in-vitro O=C1NC[C@@]2(CCCN(C(=O)c3ccc(F)cc3Cl)CC2)O1 217185103 ILDCLSCDMZBOTP-HNNXBMFYSA-N 326.755 2.584 70 50 EFIA Cc1nc(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)no1 161069764 PAEOTLOSZPGXRW-CHWSQXEVSA-N 327.306 2.705 70 50 EFIA Cc1ccc2[nH]c(CCC(=O)N[C@H](C)Cc3cnccn3)nc2c1C 218138652 VMPFDSFMYROYPV-CYBMUJFWSA-N 337.427 2.650 70 50 EFIA Cc1cnn([C@@H](C)C(=O)NCCc2nc3cc(Cl)ccc3[nH]2)c1 218488191 WTJHDALVJFQXBS-NSHDSACASA-N 331.807 2.641 70 50 EFIA Cc1ccccc1C1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 218169852 NXYASNQLHIQYMQ-UHFFFAOYSA-N 337.471 2.956 70 50 EFIA CCCn1nccc1CN(CCS(=O)(=O)F)[C@@H]1CC=CCC1 1875382736 OKCMEBGEGITBKN-CQSZACIVSA-N 329.441 2.503 70 50 EFIA CC[C@H](NC(=O)c1nc(N)nc2c1CCCC2)c1cc(C)ccn1 218631861 PVJFXKLPIRIEHF-ZDUSSCGKSA-N 325.416 2.522 70 50 EFIA C[C@@H]1CN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC(C)(C)O1 160400408 OLPKJURODGNRKT-CJNGLKHVSA-N 334.416 2.886 70 50 EFIA CC(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccco1 218243850 HJWNQUIXPPXLFV-UHFFFAOYSA-N 325.368 2.552 70 50 EFIA O=C1CC[C@@H]2CN(Cc3cccs3)CC[C@@H]2N1CCc1cnc[nH]1 216945593 YAVMXJRFVMVOKY-PBHICJAKSA-N 344.484 2.527 70 50 EFIA O=C(NCCc1noc([C@H]2CCCO2)n1)c1ccc2c(c1)CCCC2 218219938 PXJUKRFLIPYXBW-MRXNPFEDSA-N 341.411 2.772 70 50 EFIA CC(=O)c1ccc2c(c1O)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 217629984 SVDUSABGCTUHRC-LBPRGKRZSA-N 326.304 2.765 70 50 EFIA biogenic Cc1[nH]c2c(c1C(=O)NCc1cncn1CC(C)C)C(=O)CCC2 218039813 ZXYAJTNEYJOSRU-UHFFFAOYSA-N 328.416 2.625 70 50 EFIA COC(=O)C1(NCC2CCN(C(=O)C(C)(C)C)CC2)CCCCC1 159740630 HWMYUTDIWLBALN-UHFFFAOYSA-N 338.492 2.737 70 50 EFIA COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1O 217611646 GXQRNADCXWFYCR-GFCCVEGCSA-N 328.320 2.750 70 50 EFIA biogenic Cc1csc([C@H](C)CNC(=O)Nc2ccnn2C[C@@H]2CCOC2)n1 159595497 JKSGHOFHSSSXMS-YPMHNXCESA-N 349.460 2.610 70 50 EFIA COC(=O)c1csc(NC(=O)N2CCC(c3ccnn3C)CC2)c1 160807807 XTYKEPSOSMIEJB-UHFFFAOYSA-N 348.428 2.680 70 50 EFIA CCN(Cc1noc(C2CCC2)n1)C(=O)c1ccc2c(c1)OCO2 218055236 WNHHTWZCNDKFQN-UHFFFAOYSA-N 329.356 2.728 70 50 EFIA COCCNC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 161081966 MVHGEHZOBFMLEC-SECBINFHSA-N 337.367 2.697 70 50 EFIA O=C(c1cc2sccc2[nH]1)N1CCCO[C@@H](CN2CCCC2)C1 217083192 TZKCDQQGKPYUSN-ZDUSSCGKSA-N 333.457 2.556 70 50 EFIA O=C(NCCc1ccccn1)Nc1ccnn1Cc1ccccc1F 160517167 VPJPIGRANIEPKI-UHFFFAOYSA-N 339.374 2.830 70 50 EFIA CSCc1ccc(C(=O)NCCc2noc(C(F)(F)F)n2)o1 217488104 FUXKRFPMKXQLSG-UHFFFAOYSA-N 335.307 2.517 70 50 EFIA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1ccc(Cl)cc1 218585811 XWOYZJPCKNHXKJ-UHFFFAOYSA-N 335.835 2.750 70 50 EFIA Cn1cnnc1SCC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 218557727 WQHDXAICVSBPDH-LBPRGKRZSA-N 336.848 2.577 70 50 EFIA COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1cc2c(cc1O)OCO2 217953606 DFBOMFGOQIMIRZ-NSHDSACASA-N 346.335 2.530 70 50 EFIA biogenic COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC1CCN(c2ccc(F)cc2C)CC1 218011593 MDJWSHPKXDEWEE-CUDHKJQZSA-N 348.462 2.742 70 50 EFIA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1ccc2c(c1)CCC2 218277319 GFCSZEWGASSUAZ-UFYCRDLUSA-N 336.435 2.682 70 50 EFIA O=C(c1csc2c1CCCC2)N1CCCO[C@H](Cn2cccn2)C1 217480960 LUIZTLZEPYWTEU-AWEZNQCLSA-N 345.468 2.755 70 50 EFIA CC(C)Cc1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)n(C)n1 217695788 NYWXNLZRXUUNNZ-DOTOQJQBSA-N 332.492 2.613 70 50 EFIA biogenic O=C(NCCc1noc([C@@H]2CCCO2)n1)c1ccc(Cl)s1 217816255 IYZDVNNFFKBELO-QMMMGPOBSA-N 327.793 2.609 70 50 EFIA CCCN(C[C@H]1CCCO1)C(=O)c1n[nH]c(N)c1-c1ccccc1 216969157 DSLOVXUACNDWOZ-CQSZACIVSA-N 328.416 2.690 70 50 EFIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1nccc(Cl)c1F 1875388246 SIRFYMHQAHLIOR-UHFFFAOYSA-N 348.714 2.720 70 50 EFIA CC(C)Oc1ccc(-c2cc(C(=O)N[C@H](CO)C(C)C)[nH]n2)cc1 218378351 RBELKNCOBTUVCG-QGZVFWFLSA-N 331.416 2.611 70 50 EFIA CS(=O)(=O)c1cccc(OCCn2nc(C3CC3)nc2C2CC2)c1 161459857 JOUAOJQTRFXVEF-UHFFFAOYSA-N 347.440 2.515 70 50 EFIA O=S(=O)(Cl)c1cc(I)c2occc2c1 59804027 JRNYAXAKWGEDMF-UHFFFAOYSA-N 342.541 2.965 70 50 EFIA CN(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)Cc1cccnc1 218054495 XHSLTDLMYZTNNL-KRWDZBQOSA-N 339.439 2.932 70 50 EFIA O=C(NCCc1cc2ccccc2[nH]1)[C@@H]1CC(=O)N(C2CCCC2)C1 159504580 RYIWPYUTPXTCRD-OAHLLOKOSA-N 339.439 2.618 70 50 EFIA CC(=O)c1ccc(OS(=O)(=O)F)c(CSc2ncccn2)c1 1875374229 GHVKNZOQSVAPEH-UHFFFAOYSA-N 342.373 2.565 70 50 EFIA Cc1ccc2ncccc2c1CNC(=O)CN(C)Cc1cccnc1 217200059 HNIYTHHOIXOKSI-UHFFFAOYSA-N 334.423 2.686 70 50 EFIA CSc1ccc(CC(=O)N2CCN(C3CCCC3)C(=O)C2)cc1 218340186 RGJQDNXNBYMMLX-UHFFFAOYSA-N 332.469 2.564 70 50 EFIA COc1ccccc1N1CC[C@H](NC(=O)[C@@H]2CC2(Cl)Cl)C1 161051625 NSDDWAIHNOPGEI-QWRGUYRKSA-N 329.227 2.584 70 50 EFIA O=C1CC[C@@H]2CN(Cc3cccs3)CC[C@@H]2N1CC1CCNCC1 216940149 DYIGGCXISHAJAE-AEFFLSMTSA-N 347.528 2.561 70 50 EFIA CC[C@H](c1ccccc1)N(CC(=O)OC)CC(=O)N1CCCCC1 159681189 SECCAYQGRPYCKU-QGZVFWFLSA-N 332.444 2.625 70 50 EFIA O=C(Cc1cccc(C(F)(F)F)c1)NCCn1cc(Cl)cn1 218645006 KJICHCTVFWAXLL-UHFFFAOYSA-N 331.725 2.914 70 50 EFIA O=C(CCCc1nc(-c2ccco2)no1)N[C@H](CO)c1ccccc1 218353378 JYAOCYLMBXUEGB-CQSZACIVSA-N 341.367 2.502 70 50 EFIA COc1cc2c(c(OC)c1OC)[C@@H](c1cccc(O)c1)CC(=O)O2 218095426 VAIYEESETSUYQG-GFCCVEGCSA-N 330.336 2.859 70 50 EFIA biogenic CCS(=O)(=O)c1ccc([C@H](C)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1 159838300 PFWALZPAKUIDHR-DZKIICNBSA-N 336.501 2.756 70 50 EFIA COCCc1nc(CNC(=O)c2cc(C(F)(F)F)ccc2C)no1 218764022 ZEVRBDZCNBBOGP-UHFFFAOYSA-N 343.305 2.516 70 50 EFIA CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)Cl)c1 132056193 QNGFZMBNQKGMAH-UHFFFAOYSA-N 341.610 2.862 70 50 EFIA CCN(C)C(=O)CCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161067169 RLHAFMHYDMTHNE-LSDHHAIUSA-N 344.377 2.682 70 50 EFIA OCc1cc2n(n1)CCN(Cc1cccc(OC3CCCC3)c1)C2 217982080 XXWIMMNSNKKZOL-UHFFFAOYSA-N 327.428 2.713 70 50 EFIA COc1ccccc1N1CC[C@@H](NC(=O)[C@@H]2CC2(Cl)Cl)C1 161051757 NSDDWAIHNOPGEI-MNOVXSKESA-N 329.227 2.584 70 50 EFIA Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 218029919 FYDKUNUWMLZCIZ-QZTJIDSGSA-N 335.419 2.767 70 50 EFIA CC(C)Cc1nc(NC(=O)c2cccc(Nc3ncccn3)c2)n[nH]1 218375977 MWUUVVKRJOVEPR-UHFFFAOYSA-N 337.387 2.789 70 50 EFIA COc1ccc(F)c(F)c1C(=O)NCc1nc2cc(F)ccc2[nH]1 217734234 GLMLBLCHRCUGLS-UHFFFAOYSA-N 335.285 2.919 70 50 EFIA Fc1ccccc1N1CCC(N[C@@H]2CCOC[C@H]2OCC2CC2)CC1 218285191 GDEUYYRWNWMHSL-UYAOXDASSA-N 348.462 2.968 70 50 EFIA Cc1cccc2nc(CNC(=O)Cc3noc4ccccc34)n(C)c12 159839426 AMMZFZTXUKFUAZ-UHFFFAOYSA-N 334.379 2.882 70 50 EFIA O=C(NCCc1ccncc1)c1cnc2cc(Cl)ccc2c1O 218386151 KIPGJMAMWLVOTD-UHFFFAOYSA-N 327.771 2.961 70 50 EFIA CO[C@@H](C(=O)Nc1cccn(CC(F)(F)F)c1=O)c1ccccc1 159834675 HSWFVLVZEHXLIP-CYBMUJFWSA-N 340.301 2.737 70 50 EFIA Cn1cncc1CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161128374 MJSUDDBXPOMIFH-HUUCEWRRSA-N 325.334 2.747 70 50 EFIA COCc1noc(CCNC(=O)c2ccccc2-c2ccccc2)n1 218129508 RDVCRCKRDFZTNY-UHFFFAOYSA-N 337.379 2.856 70 50 EFIA Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 160227307 KRHOAQIKWBSAEU-ZIAGYGMSSA-N 339.424 2.989 70 50 EFIA O=C(Cc1cc(F)c(F)cc1F)N1CCCC[C@H]1c1ncon1 161402359 JDUIYAZHBQYOPO-ZDUSSCGKSA-N 325.290 2.783 70 50 EFIA Cc1cc(=O)cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)o1 217832890 WXSPRUSODDBTDS-CYBMUJFWSA-N 337.379 2.844 70 50 EFIA O=S(=O)(Cl)c1ccc2ccc(S(=O)(=O)Cl)cc2c1 95749443 FJKUZZHKEDNPDN-UHFFFAOYSA-N 325.194 2.695 70 50 EFIA O=C(Cc1c[nH]c2ccccc12)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 218242296 JFQDQWGIENCGKG-CFLQYTFWSA-N 349.434 2.604 70 50 EFIA COCC[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CCO1 218481163 MCJRXVAPZJMYOW-CQSZACIVSA-N 331.334 2.512 70 50 EFIA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(O)cc1 217617108 JCAKQGBTPOBBLW-AWEZNQCLSA-N 343.335 2.650 70 50 EFIA biogenic CCc1nc(C)ccc1OCC(=O)N1CC(Oc2ccccc2F)C1 217969406 KKAHWABTHJRTDJ-UHFFFAOYSA-N 344.386 2.760 70 50 EFIA Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 160227408 KRHOAQIKWBSAEU-UONOGXRCSA-N 339.424 2.989 70 50 EFIA CC(C)[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@H]1CCOC(C)(C)C1 218281814 FYVYUIDNXAOPDC-GXFFZTMASA-N 339.461 2.689 70 50 EFIA Cc1cc([C@@H]2CCCCN2C(=O)c2nc(N)nc3c2CCCC3)no1 218308838 JNEIXMDZIBBLMP-HNNXBMFYSA-N 341.415 2.601 70 50 EFIA COc1cccc(OC)c1C(=O)N1CCC(Oc2cccnc2)CC1 218043308 NSCOHRKKBYJIBP-UHFFFAOYSA-N 342.395 2.782 70 50 EFIA CC(C)C[C@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2[nH]1 218373550 VLOAXEUQXJBMDK-HNNXBMFYSA-N 349.398 2.518 70 50 EFIA CNC[C@H]1CCCN1C(=O)CCc1ccccc1OC(F)(F)F 161319641 HKVILDUDKUAJMM-CYBMUJFWSA-N 330.350 2.728 70 50 EFIA COc1cc2c(cc1CN1CCCn3nc([C@H](C)O)cc3C1)CCC2 217681472 FLUMLCGGJXCKHG-AWEZNQCLSA-N 341.455 2.840 70 50 EFIA CC[C@H](NS(=O)(=O)c1cc(C)c(F)cc1Cl)C1CC(O)C1 218300018 BBHRCBCNMZQUAX-ZPPKWKGLSA-N 335.828 2.615 70 50 EFIA O=C(N1CCCO[C@H](CN2CCCCC2)C1)C1(c2ccccc2)CC1 217843483 QKLBMRVCDKJEQN-LJQANCHMSA-N 342.483 2.822 70 50 EFIA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccn(C(F)F)n1 218501329 YCOGOZXYERPTQA-JTQLQIEISA-N 337.326 2.883 70 50 EFIA Cc1cc(=O)cc(C(=O)N(C)Cc2cnn(-c3ccccc3C)c2)o1 217027268 KVYSVRMGLYCGGI-UHFFFAOYSA-N 337.379 2.715 70 50 EFIA COc1cc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)ccn1 159577739 LLSRZSUCTCBAGF-UHFFFAOYSA-N 326.183 2.909 70 50 EFIA O=C(OCc1ccccc1)N1CCC[C@H](CS(=O)(=O)Cl)C1 100624263 SGQMTLDEQPNJLD-ZDUSSCGKSA-N 331.821 2.604 70 50 EFIA CCOc1ncccc1C(=O)N[C@@H](C)c1nncn1C1CCCC1 218622461 OZHUCVXPPCXBDU-LBPRGKRZSA-N 329.404 2.678 70 50 EFIA CC(C)C[C@@H]1COCCN1C(=O)Nc1ccn(CC(F)(F)F)n1 160895027 RBYXVAHVTFQPDA-LLVKDONJSA-N 334.342 2.724 70 50 EFIA Cc1cccc(Cl)c1OCCN1CCCn2nc(CO)cc2C1 216918059 MDHXPIBDNBMINR-UHFFFAOYSA-N 335.835 2.622 70 50 EFIA CC1(C)OC(=O)C[C@H]1C(=O)NCCc1nc(-c2ccccc2)cs1 218473203 YSVPMDZEFWICOI-ZDUSSCGKSA-N 344.436 2.811 70 50 EFIA Cc1sc(-n2cccc2)nc1C(=O)N[C@H](CO)c1ccccc1 218335716 FWUREPRSMCUNDS-CQSZACIVSA-N 327.409 2.706 70 50 EFIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2c(C)nn(C(C)C)c2C)n[nH]1 218277035 DEIAKROIOIRXOO-BDJLRTHQSA-N 347.463 2.608 70 50 EFIA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2c(c1)COC2=O 218144216 YWQNMTXOGRSFBP-INIZCTEOSA-N 341.319 2.655 70 50 EFIA CC[C@@H](C)[C@@H](CO)NC(=O)c1c[nH]c2c(C(C)C)cccc2c1=O 218169003 BUDNKCVQDIDWOI-MLGOLLRUSA-N 330.428 2.788 70 50 EFIA COc1cccc2ccn(CCC(=O)N[C@H](CO)c3ccccc3)c12 218213272 LWIYALVGNDSPKN-QGZVFWFLSA-N 338.407 2.890 70 50 EFIA COCCn1ccc2c(NC(=O)c3cc(=O)c(OC)co3)cccc21 218607942 GCYSRVGIOWVECT-UHFFFAOYSA-N 342.351 2.502 70 50 EFIA CSc1ncc(C(=O)NCc2cccc(CN3CCCC3)c2)cn1 218533845 TUERBGVGSVZJIS-UHFFFAOYSA-N 342.468 2.724 70 50 EFIA CSc1ncc(C(=O)NCc2nc3c(C)c(C)ccc3[nH]2)cn1 218074136 VREZRLSFPJBTCQ-UHFFFAOYSA-N 327.413 2.622 70 50 EFIA O=C(NCCSc1ncn[nH]1)C1c2ccccc2-c2ccccc21 218674133 KDURNXXXQRQQQR-UHFFFAOYSA-N 336.420 2.826 70 50 EFIA O[C@@H](c1ccccc1)c1cc2n(n1)CCCN(Cc1cscn1)C2 217627544 HQBHKFNCKOMUMK-SFHVURJKSA-N 340.452 2.827 70 50 EFIA Cc1ccc(Cl)c(NC(=O)CC2CCN(S(=O)(=O)F)CC2)c1 2325890442 WTOGKPFJLVOJJN-UHFFFAOYSA-N 348.827 2.903 70 50 EFIA CCCCNC(=O)Nc1ccc(OCC)c(S(=O)(=O)Cl)c1 95698315 NVBIVUJFWSTKGZ-UHFFFAOYSA-N 334.825 2.934 70 50 EFIA CC(=O)c1ccc2c(c1O)[C@H](c1ccc3nccnc3c1)CC(=O)O2 218195231 CYMDFBVWMPROGB-ZDUSSCGKSA-N 334.331 2.979 70 50 EFIA CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2nccs2)nc(N)n1 217178231 QKTIHDGMJFLVNG-CYBMUJFWSA-N 331.445 2.691 70 50 EFIA Cc1cc(C(F)(F)F)nn1CCNC(=O)c1ccc(N(C)C)cc1 218489480 LIVVYEICDLEYCI-UHFFFAOYSA-N 340.349 2.706 70 50 EFIA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(Cl)c(F)c1 218413459 KPLRJPCDNDHMNS-AWEZNQCLSA-N 326.799 2.952 70 50 EFIA COCc1nnc(-c2cc3ccccc3cc2OS(=O)(=O)F)o1 1875374208 FQXFTSCQLPOQSJ-UHFFFAOYSA-N 338.316 2.629 70 50 EFIA Cc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c(C)n1 218350891 OUPCSTLCBLHOQA-MOPGFXCFSA-N 340.423 2.803 70 50 EFIA CN(CCc1ncon1)C(=O)C[C@@H](c1ccccc1)c1ccco1 217633926 VYFJPQCMSNKYHC-HNNXBMFYSA-N 325.368 2.886 70 50 EFIA COc1ccc([C@@H](CCO)Nc2nc(C(C)C)nc(N(C)C)n2)cc1 160384089 QRIFWKSHRRTEOS-OAHLLOKOSA-N 345.447 2.605 70 50 EFIA COc1ccc(CCNC(=O)CC2(n3cccc3)CCOCC2)cc1 218209229 CKMTWWCCNWJFCV-UHFFFAOYSA-N 342.439 2.751 70 50 EFIA O=C(CCc1cc(Cl)no1)NC[C@@H]1CCCN2CCCC[C@H]12 217852726 NPMQPPQFHYFFTO-GXTWGEPZSA-N 325.840 2.641 70 50 EFIA biogenic Cc1nn(C)c(C)c1OCC(=O)N1c2ccccc2SC[C@H]1C 161300891 XHECZAYPQKDDPT-LLVKDONJSA-N 331.441 2.943 70 50 EFIA COc1ccccc1CNC(=O)CN1CCC[C@H]1c1cccc(C)n1 160227813 REYYKHNEMVCMCW-SFHVURJKSA-N 339.439 2.852 70 50 EFIA Cc1csc(CN(C)C(=O)COCc2nc3cc(F)ccc3[nH]2)n1 217046328 KHVDXZQICLNTFH-UHFFFAOYSA-N 348.403 2.642 70 50 EFIA Cc1[nH]c2c(C(=O)N3CCCn4nc(CO)cc4C3)cccc2c1C 217935398 KVOMJCHFCMIMIB-UHFFFAOYSA-N 338.411 2.520 70 50 EFIA Cc1nn(-c2ccc(C(=O)N3CCC[C@H]3CN)cc2)c(C)c1Cl 160173341 UWYCIWIWOGIANB-HNNXBMFYSA-N 332.835 2.706 70 50 EFIA CCn1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)F)c2)c1Cl 460088312 CGJMSYTZJMYNBF-UHFFFAOYSA-N 345.783 2.775 70 50 EFIA O=C(NCCc1noc([C@H]2CCCO2)n1)c1ccc(Cl)s1 217816340 IYZDVNNFFKBELO-MRVPVSSYSA-N 327.793 2.609 70 50 EFIA COc1ccccc1N1CC[C@H](NC(=O)[C@H](OC)c2ccccc2)C1 161174621 SNBICYQVSNBRHN-QFBILLFUSA-N 340.423 2.778 70 50 EFIA Cc1nc2ccc(CNC(=O)CN3CC[C@@H](c4ccccc4)C3)cc2[nH]1 217368886 ZPAHDCZSKKJOSG-GOSISDBHSA-N 348.450 2.977 70 50 EFIA O=C1C[C@H](c2ccc3c(c2)OCCO3)c2cc3c(cc2O1)OCO3 217859920 WGGGZMQJKARBON-LLVKDONJSA-N 326.304 2.628 70 50 EFIA biogenic O=C(CCCc1ccccc1)NCCc1noc([C@H]2CCCO2)n1 217155916 DTRCJRRVQAWQQF-OAHLLOKOSA-N 329.400 2.603 70 50 EFIA C[C@H]1CN(S(=O)(=O)F)C[C@H](c2cccc(C(F)(F)F)c2)O1 1875375143 SCQRGYBWWNRGBL-GZMMTYOYSA-N 327.299 2.682 70 50 EFIA Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)Cl)cc2)n1C 670425651 AWZDCNFVIIFEEB-UHFFFAOYSA-N 328.821 2.535 70 50 EFIA O=C(NCc1ccccn1)Nc1ccnn1Cc1ccccc1F 160433444 VPXBXHZFIQKLSM-UHFFFAOYSA-N 325.347 2.787 70 50 EFIA O[C@H]1C[C@H]([C@@H](Cc2ccccn2)NC2CCC3(CCNCC3)CC2)C1 218048091 HJKRPLDPXYMNID-LSTHTHJFSA-N 343.515 2.666 70 50 EFIA O=C(CC1(n2cccc2)CCOCC1)NCc1c(F)cccc1F 218238594 CMWFRGHXADSNCG-UHFFFAOYSA-N 334.366 2.979 70 50 EFIA CC(C)Cn1cncc1CNC(=O)[C@@H]1CCCN1Cc1ccccc1 218339644 CFVVUXPJYHCVFA-IBGZPJMESA-N 340.471 2.820 70 50 EFIA CN(C)C1CCN(C(=O)CO[C@@H](c2ccccc2)C(F)(F)F)CC1 218516347 GWVWINWSAMRADO-INIZCTEOSA-N 344.377 2.859 70 50 EFIA Cc1nc2ccccn2c1C(=O)NCCc1noc(C2CCCC2)n1 218709191 ZFQGTTFYRBNBGK-UHFFFAOYSA-N 339.399 2.656 70 50 EFIA C[Si](C)(C)c1c(OS(=O)(=O)C(F)(F)F)ccc2[nH]ccc12 169794821 LLCJFYYASDIOJN-UHFFFAOYSA-N 337.395 2.942 70 50 EFIA Cc1cc2nc(CN(C)C(=O)c3c[nH]c(=O)c(Cl)c3)[nH]c2cc1C 217206072 AQZAEAQEDICRRN-UHFFFAOYSA-N 344.802 2.794 70 50 EFIA Cc1ccc(C(=O)CCN2CCC([C@@H](O)c3nccn3C)CC2)cc1 160917013 HVKAYJNZUAZSLV-LJQANCHMSA-N 341.455 2.747 70 50 EFIA O=C(N[C@H]1CCC[C@H]1Cc1ccc(F)cc1)c1cc(CO)ccn1 218416628 NRHYFUIDCFMZKJ-RDJZCZTQSA-N 328.387 2.854 70 50 EFIA C[C@@]1(O)CCCN(C(=O)NCc2ccc(CN3CCCCC3)cc2)C1 159992824 DQYYENXMBTURBN-HXUWFJFHSA-N 345.487 2.729 70 50 EFIA Cc1nc(CCNC(=O)[C@H](O)c2ccc(F)cc2)sc1Cl 218742183 SZDXDTJAWXKSTL-GFCCVEGCSA-N 328.796 2.636 70 50 EFIA CC(C)n1cc(C(=O)Nc2n[nH]c(C3CC3)n2)c2ccccc2c1=O 218269796 RLLJIXXAKAWMQO-UHFFFAOYSA-N 337.383 2.830 70 50 EFIA CC(=O)N[C@H]1C[C@@H](c2cc(NCCn3ccc4ccccc43)ncn2)C1 218552031 UAEAWYGABLNWRV-QAQDUYKDSA-N 349.438 2.926 70 50 EFIA CC(C)CO[C@H]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 160781324 XUPXJIUUPFADBS-INIZCTEOSA-N 343.431 2.761 70 50 EFIA CCCN(C[C@@H]1CCCO1)C(=O)c1n[nH]c(N)c1-c1ccccc1 216969144 DSLOVXUACNDWOZ-AWEZNQCLSA-N 328.416 2.690 70 50 EFIA Cc1csc([C@H](C)CNC(=O)Nc2ccnn2C[C@H]2CCOC2)n1 159595774 JKSGHOFHSSSXMS-DGCLKSJQSA-N 349.460 2.610 70 50 EFIA CC(C)c1c(C(=O)N2CC[C@@H](N)C2)cnn1-c1cccc(Cl)c1 160228733 IKERHTAIEVIYFQ-CYBMUJFWSA-N 332.835 2.822 70 50 EFIA CN(C)c1ccc(C(=O)NC[C@H]2C[C@@]23CCCc2ccccc23)nn1 159564769 FJAWKRCFNRBLPJ-QRWLVFNGSA-N 336.439 2.567 70 50 EFIA CC[C@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1cccc(C)n1 218231009 PLKKKFKNODQJMP-KRWDZBQOSA-N 345.487 2.992 70 50 EFIA O=C(NCc1ccc2cc[nH]c2c1)c1ccccc1N1CCOCC1 218746659 MNPBSCUGPHERLJ-UHFFFAOYSA-N 335.407 2.935 70 50 EFIA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(O)c1 218283908 DSYOROYHETWWFM-CQSZACIVSA-N 343.335 2.650 70 50 EFIA Cc1ccc(C)n1CC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 218386629 QGEYSFNVGAKADM-UHFFFAOYSA-N 335.448 2.621 70 50 EFIA COCc1nnc(NC(=O)CCn2ccc3cccc(OC)c32)s1 218221320 QQXVCYWBOTXRKA-UHFFFAOYSA-N 346.412 2.677 70 50 EFIA Fc1cccc(-c2nnn(Cc3noc(C4CCCCC4)n3)n2)c1 159382279 QSSKSYKWXZAFCU-UHFFFAOYSA-N 328.351 2.958 70 50 EFIA O=c1nc(-c2cccc(S(=O)(=O)F)c2)[nH]c2cc(F)c(F)cc12 685944817 AMIUURAWCJXWAJ-UHFFFAOYSA-N 340.282 2.527 70 50 EFIA COCCc1nc(CNC(=O)c2cc3c(s2)CCCCC3)no1 218001271 PXDLFFOJYXZQNJ-UHFFFAOYSA-N 335.429 2.519 70 50 EFIA COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1cc2c(cc1O)OCO2 217953526 DFBOMFGOQIMIRZ-LLVKDONJSA-N 346.335 2.530 70 50 EFIA biogenic CCCOc1cccc(CCNC(=O)[C@@H]2CCCc3[nH]ncc32)c1 159717607 LMMCJYNEBIIWBP-MRXNPFEDSA-N 327.428 2.977 70 50 EFIA COc1ccccc1-c1nnc(CN2CCC[C@@H]2c2cnn(C)c2)o1 160525743 HVMAGLSCJGAYAB-OAHLLOKOSA-N 339.399 2.816 70 50 EFIA O=C(NCc1nc(-c2ccc(F)cc2)cs1)c1cccc(=O)[nH]1 218706194 ZRYCUAPUOYEPND-UHFFFAOYSA-N 329.356 2.568 70 50 EFIA O=C(c1ccc2[nH]ccc2c1)N1CCCO[C@H](CN2CCCCC2)C1 217197923 YVTVYCBDGRCZCB-GOSISDBHSA-N 341.455 2.885 70 50 EFIA O=C(Cc1cccnc1)N1CCN(c2nsc3ccccc23)CC1 218120920 JOASMNFNPSDZOZ-UHFFFAOYSA-N 338.436 2.583 70 50 EFIA COc1cc2cc(C(=O)Nc3n[nH]c(CC(C)C)n3)[nH]c2cc1OC 218434758 WARYOISQSHQMHF-UHFFFAOYSA-N 343.387 2.754 70 50 EFIA Cc1cc(CC(=O)NCC2(c3cccc(F)c3)CCOCC2)on1 218095718 ZKUWTTNDBKEWEQ-UHFFFAOYSA-N 332.375 2.529 70 50 EFIA O=C(c1ccc(Cl)cc1F)N1CCCO[C@@H](Cn2cccn2)C1 217505462 YWLQJFFWMIAHLN-CYBMUJFWSA-N 337.782 2.607 70 50 EFIA CN(CCc1ccncc1)C(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 217793926 RNEUZABZPGVBRK-SFHVURJKSA-N 343.471 2.654 70 50 EFIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCOc1ccccc1 218676498 CLDHMCRUHSAMSU-MSOLQXFVSA-N 333.428 2.712 70 50 EFIA CCCOc1cccc(CCNC(=O)[C@H]2CCCc3[nH]ncc32)c1 159717746 LMMCJYNEBIIWBP-INIZCTEOSA-N 327.428 2.977 70 50 EFIA O=C(c1ccccc1OC(F)(F)C(F)F)N1CCN2CCC[C@H]2C1 218446069 OABOELXKDKXXNH-NSHDSACASA-N 346.324 2.844 70 50 EFIA CN(C)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 218027350 FGSGPJIGPLYILJ-SFHVURJKSA-N 335.407 2.753 70 50 EFIA biogenic O=S(=O)(c1cccc(F)c1F)N1CCC[C@@H](N2CCCC2)CC1 160123542 CUPOINXGKCIIGM-CYBMUJFWSA-N 344.427 2.604 70 50 EFIA CC[C@@H](c1ccccc1)N(CC(=O)OC)CC(=O)N1CCCCC1 159681050 SECCAYQGRPYCKU-KRWDZBQOSA-N 332.444 2.625 70 50 EFIA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875384318 DVQHXEQBMJBJTH-NSHDSACASA-N 339.344 2.686 70 50 EFIA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)CC1=CCCC1 218337942 QQMBYPXHSDZNDR-IAGOWNOFSA-N 334.416 2.582 70 50 EFIA COC(=O)c1csc(NC(=O)N2CCC(Cn3cccn3)CC2)c1 160958153 NMMBNNVJJPTNDF-UHFFFAOYSA-N 348.428 2.675 70 50 EFIA CC[C@@H](C)NC(=O)c1cccc(CNC2CCC3(CC2)OCCO3)c1 161422933 PCIWDTMSLHMNBS-OAHLLOKOSA-N 346.471 2.990 70 50 EFIA Cc1nc(C2(NC(=O)COc3ccc4c(c3)CCCC4)CCC2)no1 160789501 PJYRXLMXLOAORL-UHFFFAOYSA-N 341.411 2.831 70 50 EFIA Cc1cc(=O)cc(C(=O)N2CCC(Oc3ccccc3F)CC2)o1 217376084 AFZYFEASKMTBAG-UHFFFAOYSA-N 331.343 2.771 70 50 EFIA COc1ccccc1N1CCC[C@@H](NC2CCC3(CC2)OCCO3)C1 161509164 PSEQJESGHKWHQE-QGZVFWFLSA-N 346.471 2.939 70 50 EFIA CN(CCc1ccccc1O)Cc1ccc(OS(=O)(=O)F)cc1 1875387368 DTRXWKZSWAQVSZ-UHFFFAOYSA-N 339.388 2.660 70 50 EFIA O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc2[nH]ccc12 218443355 ZDWCEGAHRILVON-UHFFFAOYSA-N 332.363 2.976 70 50 EFIA CCOc1cccc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 161090163 SPTKIADOTULMPI-OAHLLOKOSA-N 326.400 2.881 70 50 EFIA COc1ccc(OCC2CCN(C(=O)Cc3ccccn3)CC2)cc1 218030130 HGQLDLUXDFZSKU-UHFFFAOYSA-N 340.423 2.950 70 50 EFIA COc1ccc(NC(=O)Nc2ccc(OS(=O)(=O)F)cc2)cc1 1875382900 WPXWYEBCVARGTH-UHFFFAOYSA-N 340.332 2.932 70 50 EFIA Cc1cc(NC(=O)[C@@H](C)Nc2ccc3oc(N(C)C)nc3c2)on1 160051499 MJCAGZVGHTZABV-SNVBAGLBSA-N 329.360 2.629 70 50 EFIA O=S(=O)(Cl)c1cccc2c(S(=O)(=O)Cl)cccc12 100052359 BCXWMIMRDMIJGL-UHFFFAOYSA-N 325.194 2.695 70 50 EFIA CC[C@@H](O)c1cc2n(n1)CCN(Cc1cc3c(cc1Cl)OCO3)C2 218346602 KKNIIBCTLBCWOH-OAHLLOKOSA-N 349.818 2.724 70 50 EFIA Cc1ccc2cc([C@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)[nH]c2c1 218100692 OQLQIMHDCQOWLM-GFCCVEGCSA-N 337.331 2.539 70 50 EFIA biogenic COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(O)c1 218283949 DSYOROYHETWWFM-AWEZNQCLSA-N 343.335 2.650 70 50 EFIA OCc1cc2n(n1)CCCN(c1ncc(C(F)(F)F)cc1Cl)C2 217550901 ABZPJHFCPUQLJC-UHFFFAOYSA-N 346.740 2.853 70 50 EFIA CC(C)C[C@H]1COCCN1C(=O)Nc1ccn(CC(F)(F)F)n1 160895167 RBYXVAHVTFQPDA-NSHDSACASA-N 334.342 2.724 70 50 EFIA CCCC(=O)N1CCC[C@H](C(=O)NCCc2cc3ccccc3[nH]2)C1 159608468 WEUYNZIZNNFZEW-INIZCTEOSA-N 341.455 2.865 70 50 EFIA O=C(c1ccccc1N1CCOCC1)N1CCC[C@H]1c1ccccn1 217751782 FAMWGWGHKZEPLQ-IBGZPJMESA-N 337.423 2.896 70 50 EFIA CN(CC(C)(C)CN1CCOCC1)C(=O)c1cccc2c1CCC2 159846639 RBSDDJIUVWUYPT-UHFFFAOYSA-N 330.472 2.606 70 50 EFIA CN(CCc1ccncc1)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 217075130 YFOVSYCTOHJVDI-ZWKOTPCHSA-N 343.471 2.511 70 50 EFIA Cc1sc2ncnc(N3CCn4nc([C@@H](C)O)cc4C3)c2c1C 217024806 CRERMLHFVFNVTH-SNVBAGLBSA-N 329.429 2.578 70 50 EFIA CCc1oc(C)cc1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875384661 IASRSNPMSBAEEM-UHFFFAOYSA-N 327.333 2.996 70 50 EFIA CN(C)c1ccc(CCC(=O)N2CCC[C@@H](c3ccncn3)C2)cc1 218583421 MJVMOOXQCICTQP-QGZVFWFLSA-N 338.455 2.881 70 50 EFIA Cc1ccc2occ([C@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)c2c1 218114262 LPRKHKQUAUJEEA-LLVKDONJSA-N 338.315 2.804 70 50 EFIA biogenic O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cc(C2CC2)no1 218470330 SMKCQMWOMQVMNC-CRAIPNDOSA-N 342.395 2.656 70 50 EFIA Cc1nn(C)c(C)c1OCC(=O)N1c2ccccc2SC[C@@H]1C 161300764 XHECZAYPQKDDPT-NSHDSACASA-N 331.441 2.943 70 50 EFIA CC(=O)N[C@H]1C[C@H](c2cc(NCCn3ccc4ccccc43)ncn2)C1 218771368 UAEAWYGABLNWRV-CALCHBBNSA-N 349.438 2.926 70 50 EFIA CC1(C)CC(NC(=O)CCCCCNc2ncccn2)CC(C)(C)N1 218194500 RGNVITDISOWASJ-UHFFFAOYSA-N 347.507 2.874 70 50 EFIA O=C(Nc1ccc(Cn2ccnc2)cc1)N[C@H]1c2ccccc2C[C@@H]1O 160070450 KBIRTFSBGUGRCS-OALUTQOASA-N 348.406 2.711 70 50 EFIA Cn1cnnc1SCC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 218557650 WQHDXAICVSBPDH-GFCCVEGCSA-N 336.848 2.577 70 50 EFIA Cc1nn(CCC(=O)N2CCN(C)[C@@H](c3ccccc3)C2)c(C)c1C 218276288 HUBCEPLTHJZRFK-LJQANCHMSA-N 340.471 2.714 70 50 EFIA COc1ccc(-n2ncc(C(=O)N3CCCC3)c2-n2cccc2)cc1 218248367 ZRMWSMQLCZAGSE-UHFFFAOYSA-N 336.395 2.908 70 50 EFIA CC(=O)c1[nH]c(C)c(C(=O)NCc2cc(-c3cccnc3)no2)c1C 218572771 HKBWXAUHLMIMGE-UHFFFAOYSA-N 338.367 2.814 70 50 EFIA CC(=O)NC1CCC(NC[C@H]2CCCN(Cc3cccs3)C2)CC1 161377995 HHONYROKJBWDEW-WWDZGPRUSA-N 349.544 2.997 70 50 EFIA C[C@]1(O)CCCN(C(=O)NCc2ccc(CN3CCCCC3)cc2)C1 159992738 DQYYENXMBTURBN-FQEVSTJZSA-N 345.487 2.729 70 50 EFIA Cc1cc(CNC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)n[nH]1 218574724 AEQBLZCGVIMQQM-KRWDZBQOSA-N 330.407 2.701 70 50 EFIA O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(CCn2cccn2)C1 161111709 WZQDUYUFPUAMQF-HUUCEWRRSA-N 325.334 2.710 70 50 EFIA C[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nncn1C1CCCC1 218784102 MPMWRWMVFHYJHP-GFCCVEGCSA-N 342.399 2.542 70 50 EFIA Cc1sc2ncnc(N3CCn4nc([C@H](C)O)cc4C3)c2c1C 217024844 CRERMLHFVFNVTH-JTQLQIEISA-N 329.429 2.578 70 50 EFIA CC(C)(C)OC(=O)N[C@@H]1CC=C(OS(=O)(=O)C(F)(F)F)CC1 100094410 SEHNWAWVQGNEKM-MRVPVSSYSA-N 345.339 2.814 70 50 EFIA CO[C@@H]1COCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1Cl 218120504 BPNAMXPLRSBAMB-VXGBXAGGSA-N 337.725 2.893 70 50 EFIA Cc1cncnc1C1CCN(C(=O)Cc2ccc(N(C)C)cc2)CC1 216951934 QFRBLYUILNNARE-UHFFFAOYSA-N 338.455 2.800 70 50 EFIA CC(C)(C)c1noc(COc2ccc(OS(=O)(=O)F)cc2)n1 1875368457 SDKZLXPQRWQAGJ-UHFFFAOYSA-N 330.337 2.539 70 50 EFIA CN(CCc1noc(C(F)(F)F)n1)C(=O)c1cc2ccccc2[nH]1 216908986 BIWHKZZHRLTOJE-UHFFFAOYSA-N 338.289 2.884 70 50 EFIA COc1cc(OC)cc(N2CC[C@H](Sc3ccncc3)C2=O)c1 160038103 VUAHYTUAISFZSQ-INIZCTEOSA-N 330.409 2.996 70 50 EFIA COc1cc2c(c(OC)c1OC)[C@H](c1cccc(O)c1)CC(=O)O2 218095339 VAIYEESETSUYQG-LBPRGKRZSA-N 330.336 2.859 70 50 EFIA biogenic CCc1n[nH]c(=O)c(CNC(=O)N2C[C@H](C)c3ccccc32)c1CC 160430862 NENDDBHQCILWID-LBPRGKRZSA-N 340.427 2.728 70 50 EFIA Cc1ccc2[nH]c([C@H](C)NC(=O)COCC(F)(F)C(F)F)nc2c1 217794285 RZCMQFGPGXBKOI-VIFPVBQESA-N 347.312 2.966 70 50 EFIA COC(=O)[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)nn1C)C(C)C 218370089 DGVOUWAMNJQAQQ-HNNXBMFYSA-N 349.818 2.668 70 50 EFIA Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@@H]3C[C@@H]4OCC[C@@H]43)sc21 217740817 BOAATYRPJMQATQ-VDAHYXPESA-N 345.346 2.561 70 50 EFIA CC(C)[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@@H]1CCOC(C)(C)C1 218281685 FYVYUIDNXAOPDC-ZWNOBZJWSA-N 339.461 2.689 70 50 EFIA COc1ccccc1[C@@H]1CCCN1C(=O)CN(C)Cc1cccnc1 217694583 WTNAEVPEYCZBJS-SFHVURJKSA-N 339.439 2.886 70 50 EFIA COc1ccc2[nH]c(CNC(=O)CSc3ccncc3)cc2c1 218319041 FEEFPJWENBCNCX-UHFFFAOYSA-N 327.409 2.980 70 50 EFIA O=C(CCc1cccnc1)NCCc1nccc(-c2ccccc2)n1 218384072 DJDYTULYCCTGCZ-UHFFFAOYSA-N 332.407 2.830 70 50 EFIA Cn1ccc([C@@H](NC(=O)c2cccc(-c3ncn[nH]3)c2)C(F)(F)F)c1 159566700 KCGMXJAJOFEYSF-CYBMUJFWSA-N 349.316 2.844 70 50 EFIA CSCc1ccc(C(=O)NCCc2nc(-c3ccccn3)no2)o1 218403023 MFRXUJBVPOMSRG-UHFFFAOYSA-N 344.396 2.560 70 50 EFIA Cc1nonc1CC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 218308421 XKKIQHQPSADXPT-KRWDZBQOSA-N 342.786 2.875 70 50 EFIA C[C@]1(NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CCOC1 161362526 QQTQRSOFRWGRBT-INIZCTEOSA-N 337.807 2.533 70 50 EFIA Cc1nc2c(s1)CCC[C@@H]2NC(=O)CC1=CSC2=NCCCN12 218278407 CIBVNIIAWWRVKJ-LBPRGKRZSA-N 348.497 2.985 70 50 EFIA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc2c(c1)CCCC2 218641495 DLCMNLBXUDEFBL-FQEVSTJZSA-N 342.483 2.939 70 50 EFIA COc1cccc2c1ccn2CCNC(=O)Cn1c(C)ccc1C 218500604 RTHLYDAEPIVSHL-UHFFFAOYSA-N 325.412 2.885 70 50 EFIA C[C@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1nc2c(s1)CCCC2 218219652 BPPOFAFDGHFDIY-JTQLQIEISA-N 343.452 2.690 70 50 EFIA Cc1cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc(C)c1F 160482015 PMWONFNKDUSMRO-OAHLLOKOSA-N 328.391 2.631 70 50 EFIA C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nnc(N)s1 218057991 QUOMDVPIOYLYBR-VIFPVBQESA-N 341.440 2.971 70 50 EFIA CN(C)c1ccc(C(=O)NC[C@@H]2C[C@]23CCCc2ccccc23)nn1 159564892 FJAWKRCFNRBLPJ-MGPUTAFESA-N 336.439 2.567 70 50 EFIA O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N1CCCNCC1 160862001 CSIXCNKRWFNDQK-FNORWQNLSA-N 341.386 2.848 70 50 EFIA Cc1cc(NC(=O)[C@H](C)Nc2ccc3oc(N(C)C)nc3c2)on1 160051636 MJCAGZVGHTZABV-JTQLQIEISA-N 329.360 2.629 70 50 EFIA COCCc1noc([C@@H](C)NC(=O)c2ccc(Cl)cc2F)n1 218642270 NZYNQDMMPYRSEN-MRVPVSSYSA-N 327.743 2.542 70 50 EFIA CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(NC(N)=O)CC1 161270092 JFKSSBDEJYYSHB-UHFFFAOYSA-N 344.242 2.931 70 50 EFIA COc1ccc(N2Cc3ccccc3C2=O)cc1S(=O)(=O)Cl 100035909 ABWFLHUIHQOEBX-UHFFFAOYSA-N 337.784 2.783 70 50 EFIA COc1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)c(OC)c1 217730674 KNAUAECIKJZIBT-LBPRGKRZSA-N 328.320 2.874 70 50 EFIA biogenic C[C@H]1CN(S(=O)(=O)F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1875375145 SCQRGYBWWNRGBL-KWQFWETISA-N 327.299 2.682 70 50 EFIA COCCn1ccc2c(C(=O)Nc3n[nH]c(CC(C)C)n3)cccc21 218487053 PUXKCWZFLWLCEG-UHFFFAOYSA-N 341.415 2.857 70 50 EFIA COc1ccc(-c2csc3ncc(C(=O)NC(C)C)c(=O)n23)cc1 218307357 BSCVWQJYPKUGCO-UHFFFAOYSA-N 343.408 2.570 70 50 EFIA CC(=O)c1ccc2c(c1O)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 217630058 SVDUSABGCTUHRC-GFCCVEGCSA-N 326.304 2.765 70 50 EFIA biogenic CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1c[nH]c(=O)c(Cl)c1 217621057 RHGDSSRDCKYLLI-UHFFFAOYSA-N 333.750 2.921 70 50 EFIA O=C(CCc1ccc(F)c(F)c1)N[C@H]1CCOC2(CCOCC2)C1 217590963 GJDWVSLXBGTKLL-AWEZNQCLSA-N 339.382 2.742 70 50 EFIA CCOc1cc2c(cc1CN1CCn3nc([C@H](C)O)cc3C1)CCC2 216925003 CKPFTHOKJRRUKN-AWEZNQCLSA-N 341.455 2.840 70 50 EFIA CC[C@H](C)NC(=O)c1cccc(CNC2CCC3(CC2)OCCO3)c1 161423078 PCIWDTMSLHMNBS-HNNXBMFYSA-N 346.471 2.990 70 50 EFIA CC(C)c1nc2ccccc2n1CCNC(=O)[C@H]1CC(=O)OC1(C)C 218337044 JTVUEYPQBNNJHD-CYBMUJFWSA-N 343.427 2.618 70 50 EFIA Cc1nc(N)ncc1C(=O)NCC1(c2cccc(F)c2)CCCC1 218776931 LKKLRDBSSOPIQZ-UHFFFAOYSA-N 328.391 2.748 70 50 EFIA COC(=O)c1nc(NC(=O)c2cnc3ccccc3c2O)sc1C 218251466 PRRROYFMNMOPKV-UHFFFAOYSA-N 343.364 2.744 70 50 EFIA O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2cc[nH]c2c1 218535449 APQVDUVIQHDGFM-UHFFFAOYSA-N 332.363 2.976 70 50 EFIA CN(C)[C@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1F 217672752 PLFGYGWDVMOIQD-KRWDZBQOSA-N 330.407 2.558 70 50 EFIA Cc1ccc2c(c1)c(=O)c(C(=O)N(C)CC[C@H]1CCCCO1)cn2C 217720537 GTGAPSDKEVWGBV-OAHLLOKOSA-N 342.439 2.878 70 50 EFIA CCOCCOc1ccccc1C(=O)N(C)[C@H](C)c1ccncn1 218691627 MEKNXKMLBDIFCG-CQSZACIVSA-N 329.400 2.725 70 50 EFIA COc1ccc(Br)c(CNCc2cccc(C(N)=O)c2)c1 218156190 DCLDTSGZRIYRML-UHFFFAOYSA-N 349.228 2.846 70 50 EFIA Cc1csc([C@@H](C)CNC(=O)Nc2ccnn2C[C@H]2CCOC2)n1 159595646 JKSGHOFHSSSXMS-WCQYABFASA-N 349.460 2.610 70 50 EFIA CSc1ncc(C(=O)NC2CCN(c3ccccc3F)CC2)cn1 218376960 XMMUREMNEKNKQO-UHFFFAOYSA-N 346.431 2.736 70 50 EFIA Cc1c(F)cccc1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385294 QICXIDLHJSAAEL-UHFFFAOYSA-N 327.308 2.980 70 50 EFIA Cc1cc(C)nc(NCC(=O)N2CCc3c([nH]c4ccccc34)C2)n1 217743747 YVTGIABPHSYNIY-UHFFFAOYSA-N 335.411 2.572 70 50 EFIA biogenic NC1CC(c2cc(NCc3c[nH]nc3-c3cccs3)ncn2)C1 218586710 NLYDCIWDOSYJBU-UHFFFAOYSA-N 326.429 2.745 70 50 EFIA Cc1ccc2c(c1)c(=O)c(C(=O)N(C)CC[C@@H]1CCCCO1)cn2C 217720448 GTGAPSDKEVWGBV-HNNXBMFYSA-N 342.439 2.878 70 50 EFIA CN(C)c1nc(CNC(=O)c2cc(-c3cccs3)n(C)n2)cs1 218078095 MVTXLWATSXQLKI-UHFFFAOYSA-N 347.469 2.601 70 50 EFIA Cc1[nH]c2c(c1C(=O)NCCc1nc3c(s1)CCC3)C(=O)CCC2 218151398 ITALHVVGNQQDBI-UHFFFAOYSA-N 343.452 2.760 70 50 EFIA O=C1C[C@H](c2cc3ccccc3[nH]c2=O)c2cc3c(cc2O1)OCO3 217628190 LWSYFBKAKMRLGH-NSHDSACASA-N 335.315 2.698 70 50 EFIA biogenic CNC(=O)c1cccc(C(=O)Nc2ccccc2-n2ccc(C)n2)c1 161365489 NFPBCYVGWIMCBJ-UHFFFAOYSA-N 334.379 2.793 70 50 EFIA CN(C)c1ccc(C(=O)NC[C@H]2C[C@]23CCCc2ccccc23)nn1 159565035 FJAWKRCFNRBLPJ-FOIQADDNSA-N 336.439 2.567 70 50 EFIA NC[C@@H]1CCCN1C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 160320666 XIWYHWXYNIGWLL-MZEUMTGBSA-N 337.423 2.624 70 50 EFIA COc1ccc2c(c1)cc(C(=O)Nc1n[nH]c(CC(C)C)n1)n2C 218490337 YNFWAILCWRBJQU-UHFFFAOYSA-N 327.388 2.756 70 50 EFIA Cc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(C)oc(=O)c43)cc2c1 217990215 VVZDOMMULBULHS-GFCCVEGCSA-N 337.331 2.539 70 50 EFIA biogenic Cc1ncccc1CN1CCn2nc([C@H](O)c3ccccc3)cc2C1 217419026 OAZYICMPTLMFOS-HXUWFJFHSA-N 334.423 2.684 70 50 EFIA COc1ccc(C2(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)CC2)cc1 218126321 OVZZKZMJPKPYGG-JXFKEZNVSA-N 329.440 2.880 70 50 EFIA COCCn1c(C)cc(C(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1C 160868422 NLNLCMBHGPBVBA-XLIONFOSSA-N 348.487 2.561 70 50 EFIA O=C(CCCCc1ccccc1)N1CCC(O)(CN2CCCC2)CC1 218324464 QGHCZRBSAQCHSF-UHFFFAOYSA-N 344.499 2.849 70 50 EFIA COc1cn(CC(=O)Nc2cccc(-n3cccc3)c2)c(C)cc1=O 218398457 YLGVAIYWXXLRIN-UHFFFAOYSA-N 337.379 2.595 70 50 EFIA CCc1cc(CNC(=O)C[C@@H](C)n2nc(C)c(C(C)=O)c2C)on1 218525706 AFARSKHECYRIQD-SNVBAGLBSA-N 332.404 2.520 70 50 EFIA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccc(O)cn1 218436522 IJSZZQYUQSZGQX-ZVYVSMAVSA-N 349.390 2.577 70 50 EFIA Cc1ccc2ncccc2c1CNC(=O)COC[C@H]1CCCCO1 217552753 QRYGNWXSJSWOTK-OAHLLOKOSA-N 328.412 2.745 70 50 EFIA C[C@H](NC(=O)Cc1ccccc1C(F)(F)F)c1nnc(N)s1 218085564 YJSBQVSTRDPCIT-ZETCQYMHSA-N 330.335 2.559 70 50 EFIA O=C(Cc1cccc(F)c1F)Nc1cccn(CC(F)(F)F)c1=O 159820306 IADICABTDQBKJZ-UHFFFAOYSA-N 346.255 2.870 70 50 EFIA CC(=O)c1ccc(C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)s1 218420032 NMXLGQKHLCYYNA-OAHLLOKOSA-N 343.452 2.740 70 50 EFIA CC(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)s1 218420123 NMXLGQKHLCYYNA-HNNXBMFYSA-N 343.452 2.740 70 50 EFIA CC(C)CC(=O)NCCC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 160987065 SUPKAAIWJFMTLW-QGZVFWFLSA-N 334.435 2.912 70 50 EFIA CC(=O)NC1CCC(NC[C@H]2CCN(c3ccc(F)cc3)C2)CC1 161360190 JPJVUGQMJMXMKT-FAEJEUNOSA-N 333.451 2.689 70 50 EFIA Cc1ccc2[nH]c(SCC(=O)N[C@H](C)Cc3cc(C)n[nH]3)nc2c1 218272068 RQUVHACMVGNTRZ-LLVKDONJSA-N 343.456 2.742 70 50 EFIA O=C(NCCc1nc2ccccc2[nH]1)c1csc([C@H]2CCCO2)n1 160397299 AQVXPTMJMRYZTG-CQSZACIVSA-N 342.424 2.843 70 50 EFIA COC(=O)C[C@H](c1cccc(O)c1)c1c(O)ccc2nsnc12 218606688 YWZYPZXHYTWDDM-LLVKDONJSA-N 330.365 2.798 70 50 EFIA O=C(Cc1ccc2c(c1)COC2)Nc1cccc(S(=O)(=O)F)c1 460095031 RCFAWEUZJZKOMF-UHFFFAOYSA-N 335.356 2.556 70 50 EFIA Cc1nc(CCNC(=O)[C@@H](O)c2ccc(F)cc2)sc1Cl 218742134 SZDXDTJAWXKSTL-LBPRGKRZSA-N 328.796 2.636 70 50 EFIA O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 218242221 JFQDQWGIENCGKG-NQYLQCIDSA-N 349.434 2.604 70 50 EFIA Cc1n[nH]c([C@@H]2CCCN2C(=O)c2cc(-c3ccsc3)n[nH]2)n1 217426379 WHUIYDIOLCBWMB-ZDUSSCGKSA-N 328.401 2.542 70 50 EFIA CC[C@H](O)c1cc2n(n1)CCN(Cc1cc3c(cc1Cl)OCO3)C2 218346660 KKNIIBCTLBCWOH-HNNXBMFYSA-N 349.818 2.724 70 50 EFIA CCO[C@@H]1COCC[C@H]1NC(=O)Cc1cccc(C(F)(F)F)c1 218615796 LQYUUHGFPDWHGA-ZIAGYGMSSA-N 331.334 2.558 70 50 EFIA CC(C)c1nnsc1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875384100 CMYDAAPECSQOOY-UHFFFAOYSA-N 345.377 2.507 70 50 EFIA CC(C)c1cc([C@H]2CCCN2C(=O)CN(C)Cc2cccnc2)no1 218000746 IAMCPEJTEMXQDE-QGZVFWFLSA-N 342.443 2.989 70 50 EFIA CC[C@@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1cccc(C)n1 218230913 PLKKKFKNODQJMP-QGZVFWFLSA-N 345.487 2.992 70 50 EFIA COC[C@@H]1[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2C)[C@@H]2CCO[C@@H]21 218663052 PODXNCTYBYERPZ-ATGSNQNLSA-N 343.345 2.794 70 50 EFIA Cc1cccc([C@H](NC(=O)CN2CCCCC2=O)c2ccccn2)c1 159911831 CHWMBRQDDJTZJY-FQEVSTJZSA-N 337.423 2.608 70 50 EFIA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875384317 DVQHXEQBMJBJTH-LLVKDONJSA-N 339.344 2.686 70 50 EFIA OCc1cc2n(n1)CCN(Cc1ccccc1OCc1ccccc1)C2 217342078 KTOJQCVIALVWSM-UHFFFAOYSA-N 349.434 2.970 70 50 EFIA CC1(C(=O)N2C[C@@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@@H]3C2)CC1 216709998 NOTKKDWABQEVHF-CABCVRRESA-N 348.830 2.714 70 50 EFIA Cc1noc(C)c1CCCNC(=O)C1CCN(Cc2ccco2)CC1 218014312 IJJYAYDFJKFODW-UHFFFAOYSA-N 345.443 2.845 70 50 EFIA C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCCNCC1 160848679 NSEQEBQZVJEWLI-OAHLLOKOSA-N 339.439 2.666 70 50 EFIA Cn1ncc2c(NCc3ccc(OS(=O)(=O)F)cc3)cccc21 1875384660 IAJRXAFNAXLYSY-UHFFFAOYSA-N 335.360 2.779 70 50 EFIA Cc1ccc(C(=O)CCN2CCC([C@H](O)c3nccn3C)CC2)cc1 160916917 HVKAYJNZUAZSLV-IBGZPJMESA-N 341.455 2.747 70 50 EFIA COc1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1OC 217898919 GJVCIDUDFMWGFC-LLVKDONJSA-N 328.320 2.874 70 50 EFIA biogenic O=S(=O)(F)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 1875368541 ZPDYWUVOTCGAQW-GFCCVEGCSA-N 345.440 2.976 70 50 EFIA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1ccn(C(F)F)n1 218619965 RKOJVSPRNOGGRD-AWEZNQCLSA-N 331.326 2.646 70 50 EFIA COc1cccc(N2CCN(C(=O)Cc3ccccn3)CC2(C)C)c1 217056931 AEVSDZUTEBUNIW-UHFFFAOYSA-N 339.439 2.760 70 50 EFIA CCC1(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)CCCC1 161233991 JFCWBZJGPMLEPL-CQSZACIVSA-N 330.428 2.887 70 50 EFIA Cc1cc([C@H]2CCCCN2C(=O)c2nc(N)nc3c2CCCC3)no1 218308897 JNEIXMDZIBBLMP-OAHLLOKOSA-N 341.415 2.601 70 50 EFIA CNC[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 161316821 LLYRKOBWKRPGFX-ZNMIVQPWSA-N 337.261 2.763 70 50 EFIA O=C(CCCc1ccc(Cl)cc1)N1CCCn2nc(CO)cc2C1 217821522 ACZZOHGBGDFGRX-UHFFFAOYSA-N 347.846 2.784 70 50 EFIA CC(=O)c1ccc2c(c1O)[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 217841146 POJKCJZQSADZHM-CYBMUJFWSA-N 349.342 2.877 70 50 EFIA biogenic CC(C)Cc1nnc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 160980916 MKJRUGXYJBDPOH-UHTWSYAYSA-N 336.461 2.816 70 50 EFIA Cn1nc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c2c1CCCC2 218357287 HOLUGDJYAWEYLV-WFEDQXDTSA-N 343.471 2.622 70 50 EFIA Cc1cc(CC(=O)NC[C@@H](c2ccccc2)N2CCCCC2)on1 217565091 UPNMKVSMNSWHOR-SFHVURJKSA-N 327.428 2.869 70 50 EFIA NC[C@H]1CCCN1C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 160320552 XIWYHWXYNIGWLL-VEGGFIAOSA-N 337.423 2.624 70 50 EFIA Cc1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)nc(N)n1 217186768 FKLAUFSSNNKQIO-UHFFFAOYSA-N 337.383 2.528 70 50 EFIA COc1ccccc1[C@H]1CCCN1C(=O)CN(C)Cc1cccnc1 217694670 WTNAEVPEYCZBJS-GOSISDBHSA-N 339.439 2.886 70 50 EFIA O=C(NC1CCN(C2CCOCC2)CC1)C1(c2ccccc2F)CC1 218100858 CJIKUDNQHPOCQZ-UHFFFAOYSA-N 346.446 2.617 70 50 EFIA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2c(c1)COC2=O 218144282 YWQNMTXOGRSFBP-MRXNPFEDSA-N 341.319 2.655 70 50 EFIA Cc1nc2ccccc2n1CCC(=O)N[C@@H](c1nccn1C)C(C)C 218190024 ZYEZRBBXXLWSHX-GOSISDBHSA-N 339.443 2.982 70 50 EFIA Cc1n[nH]c([C@H]2CCCN2C(=O)c2cc(-c3ccsc3)n[nH]2)n1 217426459 WHUIYDIOLCBWMB-CYBMUJFWSA-N 328.401 2.542 70 50 EFIA Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CCOC2(CCOCC2)C1 217806147 JWPFTNWEHLAAQN-HNNXBMFYSA-N 342.439 2.863 70 50 EFIA Cc1noc(COCC(=O)N2C[C@H](C)CSc3ccccc32)n1 159677829 GVLJQJSMECHTLE-NSHDSACASA-N 333.413 2.670 70 50 EFIA CC(=O)Nc1ccc(NC(=O)CC2(n3cccc3)CCOCC2)cc1 218410291 BKCTURVWGXAONR-UHFFFAOYSA-N 341.411 2.981 70 50 EFIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCC=Cc2ccccc21 1875384322 DZVDPTWRJNORTF-UHFFFAOYSA-N 348.355 2.738 70 50 EFIA CN(C)c1ccc(CCC(=O)N2CCC[C@H](c3ccncn3)C2)cc1 218583481 MJVMOOXQCICTQP-KRWDZBQOSA-N 338.455 2.881 70 50 EFIA O=C(c1csc2c1CCCC2)N1CCCO[C@@H](Cn2cccn2)C1 217480893 LUIZTLZEPYWTEU-CQSZACIVSA-N 345.468 2.755 70 50 EFIA N#Cc1ccc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)c(F)c1 1875385168 NRKPAIHCQGORIG-UHFFFAOYSA-N 338.291 2.543 70 50 EFIA CCNc1nc(C)c(C(=O)N2CCCC[C@@H]2c2nc(C)no2)s1 218361340 CVFIATWHTRPUIY-LLVKDONJSA-N 335.433 2.942 70 50 EFIA O=C(c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1)N1CCCC1 218213496 IOQDUXWVHMILHJ-UHFFFAOYSA-N 332.787 2.843 70 50 EFIA O=C(NCCn1ccc2ccccc21)c1cc(-c2ccncc2)n[nH]1 218458167 FYJUYEPQZRIYKQ-UHFFFAOYSA-N 331.379 2.856 70 50 EFIA CN(Cc1cccc2cnccc12)C(=O)c1ccc(N(C)CCO)cc1 217013509 MPGCOAQEDZAKLP-UHFFFAOYSA-N 349.434 2.936 70 50 EFIA O=C(Cc1ccsc1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 218665527 ZNCMXBUTBKSQSP-IAGOWNOFSA-N 331.437 2.781 70 50 EFIA Cc1cnn([C@H](C)C(=O)NCCc2nc3cc(Cl)ccc3[nH]2)c1 218488266 WTJHDALVJFQXBS-LLVKDONJSA-N 331.807 2.641 70 50 EFIA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(O)cc1 217617018 JCAKQGBTPOBBLW-CQSZACIVSA-N 343.335 2.650 70 50 EFIA biogenic O=C(CCC(=O)N1CCCCCC1)NCc1nc2cc(F)ccc2[nH]1 217953956 QACNUMHSZBUIGJ-UHFFFAOYSA-N 346.406 2.501 70 50 EFIA Cc1nnnn1-c1ccc(C(=O)N2CCCC[C@H]2c2cccnc2)cc1 217961565 LTGKJCJXZOKNAC-SFHVURJKSA-N 348.410 2.733 70 50 EFIA biogenic Cc1ccc(C)c(CC(=O)N2CCOc3ccc(CO)cc3C2)c1 218139388 WQIPSJZUTHLNOK-UHFFFAOYSA-N 325.408 2.759 70 50 EFIA O=C1OCC2(CCN(C(=O)CCCOCc3ccccc3)CC2)O1 218423535 FJNMZFQHLIUJRC-UHFFFAOYSA-N 333.384 2.511 70 50 EFIA C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(C(N)=O)cn2)C1 159632975 OEHJXCVQTGZNMO-NSHDSACASA-N 327.409 2.569 70 50 EFIA CN(C)C1CCN(C(=O)CO[C@H](c2ccccc2)C(F)(F)F)CC1 218516420 GWVWINWSAMRADO-MRXNPFEDSA-N 344.377 2.859 70 50 EFIA c1ccc(CO[C@@H]2CCOC[C@H]2Nc2ncnc3ccsc23)nc1 218136391 RDTJHORFORQPRM-HUUCEWRRSA-N 342.424 2.873 70 50 EFIA C[C@@H](O)c1cc2n(n1)CCCN(C1CCN(C3CCCC3)CC1)C2 216970283 MQJQCSGXEXBMRP-OAHLLOKOSA-N 332.492 2.549 70 50 EFIA COCCn1c(C)cc(C(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)c1C 160868284 NLNLCMBHGPBVBA-YLJYHZDGSA-N 348.487 2.561 70 50 EFIA Cc1cc(C(=O)NCc2csc(=O)[nH]2)c(C)cc1Br 160304974 IMGJJYFSBBIDOD-UHFFFAOYSA-N 341.230 2.746 70 50 EFIA O=C(c1cc(=O)[nH]c2cc(F)ccc12)N(Cc1cccnc1)C1CC1 159378482 ZNAFXHDMXDSQGJ-UHFFFAOYSA-N 337.354 2.867 70 50 EFIA CC1=C(CN2CCCn3nc([C@@H](O)CO)cc3C2)C(C)(C)CCC1 217365114 HWTHJNZCKRYQOE-SFHVURJKSA-N 333.476 2.641 70 50 EFIA O=C(NCCn1ccc2ccccc21)c1cc(-c2ccccn2)n[nH]1 218546663 LCOSPPBMTYIYMR-UHFFFAOYSA-N 331.379 2.856 70 50 EFIA CC(C)(C)OC(=O)N1CCc2cc(OS(=O)(=O)F)ccc2C1 1875374192 DZSZYURAORSDGQ-UHFFFAOYSA-N 331.365 2.573 70 50 EFIA O=C(Cc1ccc(F)cc1Cl)NCc1noc([C@@H]2CCCO2)n1 218764697 WDQSAVDPXWWMID-LBPRGKRZSA-N 339.754 2.573 70 50 EFIA COC(=O)c1ccsc1N1CC[C@@H](Sc2ccncc2)C1=O 160015350 GNIAGVLPWWOQCO-GFCCVEGCSA-N 334.422 2.827 70 50 EFIA Cc1cc(C(=O)NC[C@H]2CCN(C)C2)nc(-c2ccc(Cl)cc2)n1 160105306 GEVGDDLHLXAZLO-CYBMUJFWSA-N 344.846 2.787 70 50 EFIA CN(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)Cc1cccnc1 218054425 XHSLTDLMYZTNNL-QGZVFWFLSA-N 339.439 2.932 70 50 EFIA CCc1nnc(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)o1 161173578 NZANUBSPQSWNOV-QWHCGFSZSA-N 341.333 2.959 70 50 EFIA CC[C@@H](NC(=O)c1nc(N)nc2c1CCCC2)c1cc(C)ccn1 218631777 PVJFXKLPIRIEHF-CYBMUJFWSA-N 325.416 2.522 70 50 EFIA O=C(c1ccc(Cl)cc1F)N1CCCO[C@H](Cn2cccn2)C1 217505542 YWLQJFFWMIAHLN-ZDUSSCGKSA-N 337.782 2.607 70 50 EFIA OCc1cc2n(n1)CCN(Cc1c(F)ccc(Cl)c1Cl)C2 217151947 QJQCASDHHMGCKI-UHFFFAOYSA-N 330.190 2.837 70 50 EFIA CN(Cc1ccc(OS(=O)(=O)F)cc1)Cc1ccccc1O 1875387385 FSKHGZLNPPLEAN-UHFFFAOYSA-N 325.361 2.617 70 50 EFIA CC[C@@H]1[C@@H](NC(=O)c2ccc3nc(C)c(C)nc3c2)[C@@H]2CCO[C@@H]21 218452426 ICLYYNYJVWAVQX-LTCOOKNTSA-N 325.412 2.790 70 50 EFIA O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCc2cc(F)ccc2C1 159475249 HITCOKOMUXYSHP-ZDUSSCGKSA-N 344.390 2.649 70 50 EFIA CCC1(C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)CCCC1 161234126 JFCWBZJGPMLEPL-AWEZNQCLSA-N 330.428 2.887 70 50 EFIA Cn1c(C(=O)N2CC[C@@H](N)C2)ccc1-c1cccc(Br)c1 160273351 KETCSCVDEDLRFI-CYBMUJFWSA-N 348.244 2.628 70 50 EFIA COCc1nc(C)c(CNC(=O)c2ccc(CSC)o2)s1 218354505 KWCHKFJTUXQRMN-UHFFFAOYSA-N 326.443 2.984 70 50 EFIA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1ccc2c(c1)CCC2 218277372 GFCSZEWGASSUAZ-VAMGGRTRSA-N 336.435 2.682 70 50 EFIA CN(C)C[C@H](c1ccc(OS(=O)(=O)F)cc1)C1(O)CCCCC1 1875375847 PNCOFIPYEJNSJQ-OAHLLOKOSA-N 345.436 2.620 70 50 EFIA Nc1[nH]nc(C(=O)N2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)c1Cl 217844024 NKLSOXWMLIDXME-JTQLQIEISA-N 348.769 2.638 70 50 EFIA COCc1ccccc1CNCc1ccc(OS(=O)(=O)F)cc1 2325891781 PUNJRGWOZUNHKP-UHFFFAOYSA-N 339.388 2.716 70 50 EFIA O=C(NCCCn1ccnn1)c1cc(Cl)cc(C(F)(F)F)c1 160346596 PIJMDYDKXODOGY-UHFFFAOYSA-N 332.713 2.770 70 50 EFIA COC(=O)C[C@@H](c1ccc(OC)cc1)c1cc2c(cc1O)OCO2 217964605 VTNSPQRYYUWLHL-ZDUSSCGKSA-N 330.336 2.825 70 50 EFIA biogenic COCc1ccccc1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 161178935 UPLHUMOLWFQPMF-MRXNPFEDSA-N 340.423 2.850 70 50 EFIA O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCc2ccc(F)cc2C1 159577096 IDPSFOCFTVNHNE-ZDUSSCGKSA-N 344.390 2.649 70 50 EFIA NC(=O)[C@@H]1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1 159683295 NQTXMJUSSBSKKH-CQSZACIVSA-N 336.391 2.852 70 50 EFIA CO[C@@H]1CCOC[C@H]1NC(=O)c1oc(COc2ccccc2)cc1C 218704424 DUBBYRRWLDMEOJ-IAGOWNOFSA-N 345.395 2.701 70 50 EFIA COCCN1C[C@H](Cc2cccc(-c3nnc(C)s3)c2)CC1=O 218189152 RNDGXJGNKIWIKT-CQSZACIVSA-N 331.441 2.551 70 50 EFIA CC(C)[C@H]1OCC[C@@H]1CN[C@@H](C)Cn1cc(Br)cn1 160840361 NEELTOKECWPWKX-OUCADQQQSA-N 330.270 2.685 70 50 EFIA COc1cc(CN(Cc2ccco2)S(=O)(=O)F)cc(OC)c1 1875368507 WHGNJMNJMHPIMF-UHFFFAOYSA-N 329.349 2.513 70 50 EFIA O=C(N1CCCO[C@@H](CN2CCCCC2)C1)C1(c2ccccc2)CC1 217843452 QKLBMRVCDKJEQN-IBGZPJMESA-N 342.483 2.822 70 50 EFIA COc1ccc2[nH]c(C(=O)N3CCC[C@@H]3c3nc(C)n[nH]3)cc2c1 216969406 ZJLYTQGLNHMPGO-OAHLLOKOSA-N 325.372 2.580 70 50 EFIA O=S(=O)(F)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1875368444 RJBMZITZHLQECN-JTQLQIEISA-N 345.783 2.784 70 50 EFIA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1ccsc1)C2 217036121 MBQPVTDDKZUBJK-MRXNPFEDSA-N 333.457 2.753 70 50 EFIA Nc1nc(NCCOCc2ccc(Cl)cc2)cc(C2CC(N)C2)n1 218762974 FTKLCWIBAAVPPZ-UHFFFAOYSA-N 347.850 2.546 70 50 EFIA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccccn1 218319217 DTDXCRFEUIDFNG-KJXMEXGPSA-N 333.391 2.872 70 50 EFIA COc1cc(CCC2CCN(S(=O)(=O)F)CC2)cc(OC)c1 1875368328 JGSRVVDHSVTGRS-UHFFFAOYSA-N 331.409 2.563 70 50 EFIA O=C(c1ccccc1OC(F)(F)C(F)F)N1CCN2CCC[C@@H]2C1 218445979 OABOELXKDKXXNH-LLVKDONJSA-N 346.324 2.844 70 50 EFIA O=C1C[C@H](NC(=O)Cn2ccnc2-c2ccccc2)c2ccccc2N1 218715584 RKKQBSPEWIJBRK-KRWDZBQOSA-N 346.390 2.750 70 50 EFIA CN(Cc1ccc(N(C)C)nc1)CC1(N2CCOCC2)CCCCC1 217126758 DQYPUQZMJKXQNS-UHFFFAOYSA-N 346.519 2.615 70 50 EFIA CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 159489737 VEOJWDIOGYOBBZ-RHSMWYFYSA-N 336.457 2.988 70 50 EFIA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccccn1 218319136 DTDXCRFEUIDFNG-GSQSYGFSSA-N 333.391 2.872 70 50 EFIA CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc(OC)c(-n2nc(C)cc2C)c1 218201490 FKOQFVNUAXYYQD-MLGOLLRUSA-N 345.443 2.635 70 50 EFIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1cccc(O)c1 218547514 KCBOSUULZZFLES-INIZCTEOSA-N 342.395 2.602 70 50 EFIA Cc1cc(C2CCC2)nc(N2CCn3nc([C@@H](O)C4CC4)cc3C2)n1 218409952 RLWOYTXGKZHPDO-SFHVURJKSA-N 339.443 2.713 70 50 EFIA COc1cc(OC)cc(N2CC[C@@H](Sc3ccncc3)C2=O)c1 160038178 VUAHYTUAISFZSQ-MRXNPFEDSA-N 330.409 2.996 70 50 EFIA O=C(c1ccc2c(c1)CCCN2)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 216945030 SYQYQGBJKAUUGX-LPHOPBHVSA-N 339.483 2.991 70 50 EFIA O=C(CCc1ccc(F)c(F)c1)N[C@@H]1CCOC2(CCOCC2)C1 217590889 GJDWVSLXBGTKLL-CQSZACIVSA-N 339.382 2.742 70 50 EFIA CCc1cc(CNC(=O)C[C@H](C)n2nc(C)c(C(C)=O)c2C)on1 218525782 AFARSKHECYRIQD-JTQLQIEISA-N 332.404 2.520 70 50 EFIA Cc1c(C)c(S(=O)(=O)Cl)c(C)c(S(=O)(=O)Cl)c1C 100245590 YEYQIYAYJJXKFB-UHFFFAOYSA-N 331.242 2.775 70 50 EFIA in-vitro Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CCCc2sccc21 160170244 BDOLJNWBKGCREN-LLVKDONJSA-N 343.408 2.704 70 50 EFIA CC(C)c1nc(NC(=O)c2cn(C3CC3)c(=O)c3ccccc23)n[nH]1 218375055 RDWMSULHWMUSQQ-UHFFFAOYSA-N 337.383 2.830 70 50 EFIA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 218561506 CMBSHNBMTMGLOT-RNQOJCNYSA-N 345.487 2.679 70 50 EFIA O=C(CCc1cccnc1)N1CCC[C@@H](OCc2ccccn2)C1 218050191 VEXAOZAPKRIFNP-GOSISDBHSA-N 325.412 2.617 70 50 EFIA NC(=O)[C@H]1CCCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1 159683140 NQTXMJUSSBSKKH-AWEZNQCLSA-N 336.391 2.852 70 50 EFIA COc1ccc(S(=O)(=O)Cl)cc1NC(=O)N1CCC(C)CC1 100503987 IJCORNSAEDARNG-UHFFFAOYSA-N 346.836 2.887 70 50 EFIA c1ccc(B(OB(c2ccccc2)c2ccccc2)c2ccccc2)cc1 169747359 SNQFEECGHGUHBK-UHFFFAOYSA-N 346.047 2.615 70 50 EFIA in-vitro CCCn1nccc1CN(CCS(=O)(=O)F)[C@H]1CC=CCC1 1875382735 OKCMEBGEGITBKN-AWEZNQCLSA-N 329.441 2.503 70 50 EFIA O=C1C[C@@H](c2coc3ccccc3c2=O)c2cc3c(cc2O1)OCO3 217730040 ZZMJBHZFGXLLHX-LLVKDONJSA-N 336.299 2.963 70 50 EFIA biogenic Cc1ccc2[nH]c(CNC(=O)CCCN3CCCCC3=O)nc2c1C 218027215 NSGUIWMJLLRLEV-UHFFFAOYSA-N 342.443 2.589 70 50 EFIA Cc1ccc(C2(C(=O)NC[C@H](O)c3ccsc3)CCOCC2)cc1 159599654 KNKMADUOJMJYCE-KRWDZBQOSA-N 345.464 2.955 70 50 EFIA Cc1nc2c(s1)CCC[C@H]2NC(=O)CC1=CSC2=NCCCN12 218278449 CIBVNIIAWWRVKJ-GFCCVEGCSA-N 348.497 2.985 70 50 EFIA O=S(=O)(F)Oc1ccc(CSc2nc3c([nH]2)CCC3)cc1 1875382460 BZDFKZVQEVJSFW-UHFFFAOYSA-N 328.390 2.784 70 50 EFIA C[C@@]1(NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CCOC1 161362646 QQTQRSOFRWGRBT-MRXNPFEDSA-N 337.807 2.533 70 50 EFIA O=C(N[C@H](Cc1ccncc1)C1CC(O)C1)c1ccc2ncccc2c1 218588957 TXTJINRBUYZJQV-AFMYVXGZSA-N 347.418 2.742 70 50 EFIA CC(C)c1nccn1CCCNC(=O)[C@@H]1CCc2ccccc2O1 218746270 CVCPQPFFFYCXCH-KRWDZBQOSA-N 327.428 2.907 70 50 EFIA Cc1c(N[C@@H](C)C(=O)OC(C)(C)C)c(=O)n(-c2ccccc2)n1C 160649941 JOMSSICMTBGWRH-LBPRGKRZSA-N 331.416 2.627 70 50 EFIA Cc1c(N[C@H](C)C(=O)OC(C)(C)C)c(=O)n(-c2ccccc2)n1C 160650073 JOMSSICMTBGWRH-GFCCVEGCSA-N 331.416 2.627 70 50 EFIA Cc1ccsc1C(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1 218474750 PNQYTFOMZJMECB-HUUCEWRRSA-N 332.425 2.556 70 50 EFIA COC(=O)C[C@H](c1oc(CN2CCCCC2)cc(=O)c1O)C(C)C 217772147 VGINAJPXGXYONA-AWEZNQCLSA-N 337.416 2.634 70 50 EFIA biogenic COC[C@H]1[C@@H](NC(=O)c2oc3cc(C)ccc3c2C)[C@@H]2CCO[C@@H]21 218019395 QIXABKTYRWBANL-DNUAJFIVSA-N 329.396 2.829 70 50 EFIA C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1nc2c(s1)CCCC2 218219564 BPPOFAFDGHFDIY-SNVBAGLBSA-N 343.452 2.690 70 50 EFIA Cc1ccccc1CN(Cc1cnc(C2CC2)nc1)S(=O)(=O)F 1875381777 HOLCLBIOFZWJIF-UHFFFAOYSA-N 335.404 2.879 70 50 EFIA COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)ccc2nsnc12 218606763 YWZYPZXHYTWDDM-NSHDSACASA-N 330.365 2.798 70 50 EFIA Cc1ccc(C2(C(=O)NC[C@@H](O)c3ccsc3)CCOCC2)cc1 159599762 KNKMADUOJMJYCE-QGZVFWFLSA-N 345.464 2.955 70 50 EFIA CCCC(=O)N1CCC[C@@H](C(=O)NCCc2cc3ccccc3[nH]2)C1 159608617 WEUYNZIZNNFZEW-MRXNPFEDSA-N 341.455 2.865 70 50 EFIA CN1C(=O)C[C@H](CNC(=O)c2cccc(F)c2F)c2ccccc21 216971134 FZNTZNRAZWNMFA-LLVKDONJSA-N 330.334 2.845 70 50 EFIA O[C@@H](c1ccccc1)c1cc2n(n1)CCN(Cc1cncn1C1CC1)C2 217112845 YKCYUEQENXZAQH-FQEVSTJZSA-N 349.438 2.512 70 50 EFIA C[C@H](C(=O)N1CCNC(=O)CC1)c1ccc(-c2ccccc2)c(F)c1 217341231 WZWZUGKJGYXRIO-AWEZNQCLSA-N 340.398 2.945 70 50 EFIA C[C@@H](C(=O)N1CCNC(=O)CC1)c1ccc(-c2ccccc2)c(F)c1 217341157 WZWZUGKJGYXRIO-CQSZACIVSA-N 340.398 2.945 70 50 EFIA C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nnc(N)s1 218057926 QUOMDVPIOYLYBR-SECBINFHSA-N 341.440 2.971 70 50 EFIA O=C(Cc1ccccc1Cl)N[C@H]1CCOC[C@H]1C1CCOCC1 218102301 OMLYRMNHWSMXSK-RDJZCZTQSA-N 337.847 2.830 70 50 EFIA CC(=O)N1CC(Nc2ccc(NC(=O)C(C)C)c(Cl)c2)=CC1=O 218478338 AUXQGJGINUKVKM-UHFFFAOYSA-N 335.791 2.619 70 50 EFIA CN(CCc1ncon1)C(=O)C[C@H](c1ccccc1)c1ccco1 217633842 VYFJPQCMSNKYHC-OAHLLOKOSA-N 325.368 2.886 70 50 EFIA O=C(N[C@@H](Cc1ccncc1)C1CC(O)C1)c1ccc2ncccc2c1 218588897 TXTJINRBUYZJQV-QLOJAFMTSA-N 347.418 2.742 70 50 EFIA Cc1nc(N)ncc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 217202987 HXNOCPFTFUPHCL-OAHLLOKOSA-N 336.399 2.611 70 50 EFIA Cc1cccc([C@@H](NC(=O)CN2CCCCC2=O)c2ccccn2)c1 159911956 CHWMBRQDDJTZJY-HXUWFJFHSA-N 337.423 2.608 70 50 EFIA Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC[C@H](N(C)C)C1 161371613 QSDJAASMGSUNHE-ZDUSSCGKSA-N 332.835 2.610 70 50 EFIA CCOc1cc2c(cc1CN1CCn3nc([C@@H](C)O)cc3C1)CCC2 216924977 CKPFTHOKJRRUKN-CQSZACIVSA-N 341.455 2.840 70 50 EFIA Cn1c(=O)c([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc2ccccc21 217869873 FGIJBPFABTXZRW-LBPRGKRZSA-N 349.342 2.708 70 50 EFIA biogenic CN(Cc1cnccn1)C(=O)c1ccccc1OC(F)(F)C(F)F 218243260 BKLPIIKIDPCRCV-UHFFFAOYSA-N 343.280 2.986 70 50 EFIA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCCC2 218641578 DLCMNLBXUDEFBL-HXUWFJFHSA-N 342.483 2.939 70 50 EFIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)C1(c3ccc(F)cc3)CC1)C2 217665500 WVYYPYLFKROYFA-CYBMUJFWSA-N 343.402 2.540 70 50 EFIA C=CCC1(NC(=O)CCc2ccc(S(=O)(=O)F)cc2)CCC1 2325893116 SQUFUMNQXOMQRK-UHFFFAOYSA-N 325.405 2.892 70 50 EFIA O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1ccc(Cl)s1 160277960 ZTORXVXKEIRNPP-UHFFFAOYSA-N 345.755 2.961 70 50 EFIA COC(=O)c1csc(NC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 161035381 HZKGEHJSKKUVRT-AAEUAGOBSA-N 348.428 2.846 70 50 EFIA NC1CC(c2cc(NC3CCN(c4ccc(F)cc4)CC3)ncn2)C1 218479210 LORKSRRYVBSBRN-UHFFFAOYSA-N 341.434 2.901 70 50 EFIA Cc1ccc(-c2ccc(CCC(=O)NC[C@H]3COCCO3)o2)cc1 217535526 CXJWMQLYIDZPGH-KRWDZBQOSA-N 329.396 2.719 70 50 EFIA O=C(Cc1ccc(O)c(F)c1)NCc1ccccc1-n1ccnc1 218285259 CNVLPKRYHYXQNL-UHFFFAOYSA-N 325.343 2.576 70 50 EFIA O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(CCn2cccn2)C1 161111344 WZQDUYUFPUAMQF-GJZGRUSLSA-N 325.334 2.710 70 50 EFIA Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CCCc2sccc21 160170365 BDOLJNWBKGCREN-NSHDSACASA-N 343.408 2.704 70 50 EFIA Cc1ccccc1OC[C@@H]1CCCN(C(=O)Cc2cnccn2)C1 217486126 BAEJVIVQGJIDNN-MRXNPFEDSA-N 325.412 2.645 70 50 EFIA Cc1cc(N2CCCn3nc(CO)cc3C2)c2cc(F)cc(F)c2n1 217004139 ROISTRBLDISMNI-UHFFFAOYSA-N 344.365 2.921 70 50 EFIA Cc1cc(=O)cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)o1 217832968 WXSPRUSODDBTDS-ZDUSSCGKSA-N 337.379 2.844 70 50 EFIA CC[C@@H]1[C@@H](NC(=O)c2cc(OC)nc3ccccc23)[C@@H]2CCO[C@@H]21 218720543 DJGUBPVUMFBPMS-CWMCZYRISA-N 326.396 2.787 70 50 EFIA Cc1nc(-c2ccc(CNC(=O)CSc3ccncc3)cc2)no1 218335580 ZFNOMWMFBHVPQX-UHFFFAOYSA-N 340.408 2.849 70 50 EFIA Cc1cc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)cc(C)n1 218666020 XXLKRLOGNNACMD-UHFFFAOYSA-N 345.393 2.868 70 50 EFIA Cc1cccnc1C[C@@H](C)NC(=O)c1ccccc1N1CCOCC1 218364888 ZABYDGQIMBNZBY-MRXNPFEDSA-N 339.439 2.588 70 50 EFIA CCN(C)C(=O)CCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161067047 RLHAFMHYDMTHNE-HUUCEWRRSA-N 344.377 2.682 70 50 EFIA Cn1cccc1C(=O)C(=O)NCc1csc(-c2ccccc2)n1 217387398 KOOLHKFHLQOMPJ-UHFFFAOYSA-N 325.393 2.648 70 50 EFIA CSc1ncccc1C(=O)NCc1cc(-c2ccccn2)no1 218704822 OMIHFVAXKWEPOM-UHFFFAOYSA-N 326.381 2.784 70 50 EFIA CS[C@@H](C)CC(=O)N1CCC(NC(=O)c2ccsc2)CC1 161031846 HWLSKIFBSGXROV-NSHDSACASA-N 326.487 2.611 70 50 EFIA Cc1ccc2occ([C@@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)c2c1 218114195 LPRKHKQUAUJEEA-NSHDSACASA-N 338.315 2.804 70 50 EFIA biogenic CC(C)CO[C@@H]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 160781190 XUPXJIUUPFADBS-MRXNPFEDSA-N 343.431 2.761 70 50 EFIA O=C(CCc1ccc2c(c1)OCO2)NCc1n[nH]c2c1CCCCC2 218249917 REJLHTOILAIWTC-UHFFFAOYSA-N 341.411 2.656 70 50 EFIA CN(C(=O)Oc1ccccc1)c1ccc(OS(=O)(=O)F)cc1 1875374158 CSCMPHFAJXQLQS-UHFFFAOYSA-N 325.317 2.915 70 50 EFIA COCCn1ccnc1CN1CCN(c2ccc(C)cc2)C[C@@H]1C 217186452 BZTYQJMYVWLYNB-KRWDZBQOSA-N 328.460 2.549 70 50 EFIA COc1ccccc1-c1n[nH]cc1C(=O)N[C@H](CO)c1ccccc1 218414968 JIBVJJZKFSIPBF-MRXNPFEDSA-N 337.379 2.549 70 50 EFIA Cc1ccoc1CN(C)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382623 JORHFGIMSDMLRK-UHFFFAOYSA-N 342.348 2.845 70 50 EFIA COc1ccc(C)nc1NC(=O)N1CC[C@@H](CN2CCCCC2)C1 160466549 QLBCEYQSXXPFRK-HNNXBMFYSA-N 332.448 2.738 70 50 EFIA Cc1ccc2[nH]c([C@H](NC(=O)c3cnc(N)nc3C)C(C)C)nc2c1 217637105 JIOSPNOBHDGKLL-OAHLLOKOSA-N 338.415 2.679 70 50 EFIA CC(=O)c1[nH]c(C)c(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)c1C 217195262 GQUPQLDJWIAHFR-UHFFFAOYSA-N 336.395 2.950 70 50 EFIA CCOc1ncccc1C(=O)N[C@H](C)c1nncn1C1CCCC1 218622546 OZHUCVXPPCXBDU-GFCCVEGCSA-N 329.404 2.678 70 50 EFIA O=C1NC[C@]2(CCCN(C(=O)c3ccc(F)cc3Cl)CC2)O1 217185111 ILDCLSCDMZBOTP-OAHLLOKOSA-N 326.755 2.584 70 50 EFIA CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2nccs2)nc(N)n1 217178239 QKTIHDGMJFLVNG-ZDUSSCGKSA-N 331.445 2.691 70 50 EFIA Cn1nc(C(C)(C)C)cc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 217641933 YUYQDYJLDFVTOD-LSDHHAIUSA-N 332.492 2.712 70 50 EFIA biogenic CCc1c(C(=O)N2CCN(c3nccs3)CC2)cnn1CC(C)C 161322568 KEBWLCNWSSMICQ-UHFFFAOYSA-N 347.488 2.520 70 50 EFIA CC(C)(C)[C@@H](CO)NC(=O)Nc1ccnn1Cc1ccccc1F 160586589 AVCVLZLWQICZSB-CQSZACIVSA-N 334.395 2.599 70 50 EFIA CC[C@H](C)[C@H](C(=O)N[C@H](CO)[C@H](C)CC)N1Cc2ccccc2C1=O 217828730 WRCHTUFSIMGECA-LTCOOKNTSA-N 346.471 2.580 70 50 EFIA Cc1cc(CC(=O)NC[C@H](c2ccccc2)N2CCCCC2)on1 217565159 UPNMKVSMNSWHOR-GOSISDBHSA-N 327.428 2.869 70 50 EFIA Cc1nc(C2CC(O)C2)cc(N2CCCN(C3CCCCC3)CC2)n1 218686974 XTUZJIXXXQCVCE-UHFFFAOYSA-N 344.503 2.868 70 50 EFIA CCc1nc(C)c(CNC(=O)COCC(F)(F)C(F)F)s1 218677215 DNRZRSSUJKEOJI-UHFFFAOYSA-N 328.331 2.547 70 50 EFIA Cc1cc(C)n(-c2ccc(F)cc2CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)n1 217544691 MYKQAMMGPSUKLI-QWHZDKJVSA-N 329.419 2.831 70 50 EFIA Cc1csc([C@@H](C)CNC(=O)Nc2ccnn2C[C@@H]2CCOC2)n1 159595361 JKSGHOFHSSSXMS-AAEUAGOBSA-N 349.460 2.610 70 50 EFIA Nc1nnc(CCNC(=O)c2cccc(-c3cccc(F)c3)c2)s1 218293468 FMUYDROVVBSQEQ-UHFFFAOYSA-N 342.399 2.899 70 50 EFIA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(Cl)c(F)c1 218413374 KPLRJPCDNDHMNS-CQSZACIVSA-N 326.799 2.952 70 50 EFIA Cn1nccc1CNC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 159767054 BNBWFFBMGMOKPE-UHFFFAOYSA-N 339.226 2.995 70 50 EFIA O=C(CC1CC1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccc2)C1 216972267 REGXXBSMTAOLSA-MOPGFXCFSA-N 340.467 2.869 70 50 EFIA CN(C)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 218027274 FGSGPJIGPLYILJ-GOSISDBHSA-N 335.407 2.753 70 50 EFIA biogenic O=C(CC1(n2cccc2)CCOCC1)Nc1nc2c(s1)CCC2 218424437 ZECIBKMYOCKIJZ-UHFFFAOYSA-N 331.441 2.968 70 50 EFIA O=C(CCc1cc(Cl)no1)NCc1cnn(Cc2ccccc2)c1 217635120 MWMMSTMVVYBENT-UHFFFAOYSA-N 344.802 2.822 70 50 EFIA O=C1[C@H]2[C@H]3c4ccccc4[C@H]2[C@H](c2ccccc23)N1S(=O)(=O)Cl 104286015 JFIYFUBMTDGTKA-FZKCQIBNSA-N 345.807 2.912 70 50 EFIA CC(=O)c1ccc2c(c1O)[C@@H](c1ccc3nccnc3c1)CC(=O)O2 218195280 CYMDFBVWMPROGB-CYBMUJFWSA-N 334.331 2.979 70 50 EFIA Clc1ncn(Cc2nn3c(-c4ccco4)nnc3s2)c1Cl 218282543 WDKKNOOWSNOAAH-UHFFFAOYSA-N 341.183 2.997 70 50 EFIA O=C1CC[C@@H]2CN(Cc3ccsc3)CC[C@@H]2N1CCc1cnc[nH]1 216945003 NRFAOHVFRPURQD-WBVHZDCISA-N 344.484 2.527 70 50 EFIA CN(Cc1cccc2ncccc12)C(=O)CN1CCCCCC1=O 217466308 RNMCABUECFANBI-UHFFFAOYSA-N 325.412 2.596 70 50 EFIA Cc1cc(N2CCn3nc(CO)cc3C2)c2cc(F)cc(F)c2n1 217104375 AEGFTXSTMNLKHA-UHFFFAOYSA-N 330.338 2.530 70 50 EFIA Cc1cnccc1N1CCN(C(=O)[C@H](C)c2ccc(O)cc2)CC1 218256968 HWSRUNYSXUHMSA-OAHLLOKOSA-N 325.412 2.548 70 50 EFIA O=C1C[C@@H](c2ccc3c(c2)OCCO3)c2cc3c(cc2O1)OCO3 217859872 WGGGZMQJKARBON-NSHDSACASA-N 326.304 2.628 70 50 EFIA biogenic O=P(OC[C@H]1BBBC1)(Oc1ccccc1)Oc1ccccc1 195772274 GAUKLFCLCPLALS-ZDUSSCGKSA-N 325.715 2.629 70 50 EFIA Cc1cc(C(=O)N2CCC[C@@H](COc3ccccc3C)C2)cc(=O)[nH]1 217983036 UZMCETMEUONMDK-MRXNPFEDSA-N 340.423 2.923 70 50 EFIA O=C(CCOc1ccccc1)N[C@H]1CCCN(Cc2cccnc2)C1 218413995 HLBXGWZEGRFORK-SFHVURJKSA-N 339.439 2.631 70 50 EFIA O=C(Nc1ccnn1C[C@H]1CCOC1)N(Cc1cccnc1)C1CC1 159528736 DQTDBTAWPLWYAY-OAHLLOKOSA-N 341.415 2.511 70 50 EFIA CN(CCc1nccs1)S(=O)(=O)c1cccc2c1N=S=N2 159648483 FSRBJALFUVMJBB-UHFFFAOYSA-N 340.455 2.733 70 50 EFIA Nc1[nH]nc(C(=O)N2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1Cl 217843940 NKLSOXWMLIDXME-SNVBAGLBSA-N 348.769 2.638 70 50 EFIA CCCc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CCC2)C3)no1 216709850 DPUYLTLCKYCNKN-HOTGVXAUSA-N 331.460 2.964 70 50 EFIA O=C(NCCc1nc(Cc2ccccc2)no1)c1cc(F)ccc1F 218506552 HIUAJMSMGADLHC-UHFFFAOYSA-N 343.333 2.911 70 50 EFIA O=C(Nc1ccc(Cn2ccnc2)cc1)N[C@@H]1c2ccccc2C[C@H]1O 160070329 KBIRTFSBGUGRCS-RTBURBONSA-N 348.406 2.711 70 50 EFIA NCC[C@H]1CN(C(=O)CCc2ccc(-c3ccccc3)cc2)CCO1 218361113 XBBMXWUOYPHJSB-FQEVSTJZSA-N 338.451 2.862 70 50 EFIA O=S(=O)(F)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 1875368340 KFBLWCNFCCOGIU-UHFFFAOYSA-N 331.756 2.569 70 50 EFIA COc1ccc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1O 217708251 IILVQZXDTXLFGF-GFCCVEGCSA-N 338.315 2.948 70 50 EFIA biogenic CSc1ccc(CC(=O)NCCCn2c(C)cccc2=O)cc1 217623611 NUGDYLSVHGQHDL-UHFFFAOYSA-N 330.453 2.628 70 50 EFIA O=C(NCCc1ccccn1)c1cnc2cc(Cl)ccc2c1O 218252993 KJKCMSAXYBWIQS-UHFFFAOYSA-N 327.771 2.961 70 50 EFIA O=P(OC[C@@H]1BBBC1)(Oc1ccccc1)Oc1ccccc1 195772271 GAUKLFCLCPLALS-CYBMUJFWSA-N 325.715 2.629 70 50 EFIA CC(C)(C)C(=O)N1CCC(CN[C@@]2(CO)CCc3ccccc32)CC1 160898132 SMOIIICRRVAXRV-OAQYLSRUSA-N 344.499 2.695 70 50 EFIA Cc1ccn(C)c(=O)c1NS(=O)(=O)c1ccc(C(C)(C)C)s1 161470004 GTWJYZOBBWNTJB-UHFFFAOYSA-N 340.470 2.854 70 50 EFIA O=C(NCCc1ccncc1)c1cnc2ccc(Cl)cc2c1O 218304737 BDRRAPRDZLETQH-UHFFFAOYSA-N 327.771 2.961 70 50 EFIA COc1ccc(NC(=O)c2c(C)cc(C)n(CC3CC3)c2=O)cn1 218454199 RDLLPFGWKNMGOA-UHFFFAOYSA-N 327.384 2.531 70 50 EFIA Fc1c(Cl)cccc1-c1nnc2sc(Cn3ccnc3)nn12 218414036 OKCXBTUWLHQFBU-UHFFFAOYSA-N 334.767 2.890 70 50 EFIA O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(CCn2cccn2)C1 161111431 WZQDUYUFPUAMQF-LSDHHAIUSA-N 325.334 2.710 70 50 EFIA CC(C)Cc1nnc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 160981187 MKJRUGXYJBDPOH-RTXFEEFZSA-N 336.461 2.816 70 50 EFIA CO[C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(OCCn3ccnc3)cc1)C2 217134016 MLLINAUIUUUOTI-RUYXUALKSA-N 341.455 2.819 70 50 EFIA CC(=O)c1[nH]c(C)c(C(=O)NCCc2noc(C3CCCC3)n2)c1C 217701410 BFRUBMXEGUXPEA-UHFFFAOYSA-N 344.415 2.847 70 50 EFIA Cc1nc(C)c(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)s1 218610767 IJHGDODACGUKNI-HZPDHXFCSA-N 346.452 2.864 70 50 EFIA O=C(Nc1ccnn1C[C@H]1CCOC1)N1CCc2cc(F)ccc2C1 159475400 HITCOKOMUXYSHP-CYBMUJFWSA-N 344.390 2.649 70 50 EFIA CCN(CCC1CC1)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875382861 UOCSMKDKDOVLGL-UHFFFAOYSA-N 330.381 2.934 70 50 EFIA Cc1c(CNC(=O)NCc2ccc(F)cc2C(F)(F)F)cnn1C 159786853 GIIVIXIXODCTEM-UHFFFAOYSA-N 344.312 2.886 70 50 EFIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc2cccc(Cl)c2n1 218494215 QGMGUPHLGXJAEH-SONRMIBWSA-N 346.814 2.668 70 50 EFIA CCn1cc(CNC(=O)c2ccc(CN3CCC(C)CC3)o2)cn1 217096920 QOHMAEUMNSRICR-UHFFFAOYSA-N 330.432 2.658 70 50 EFIA C[C@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccccc1-n1cccn1 159755876 ZTPMCGGPGDCUNJ-ZDUSSCGKSA-N 335.411 2.965 70 50 EFIA CC(C)(C)OC(=O)NCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 109387863 CSJYMJMVFOPPHL-UHFFFAOYSA-N 341.232 2.812 70 50 EFIA CS[C@H](C)CC(=O)N1CCC(NC(=O)c2ccsc2)CC1 161031969 HWLSKIFBSGXROV-LLVKDONJSA-N 326.487 2.611 70 50 EFIA O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(CCn2cccn2)C1 161111529 WZQDUYUFPUAMQF-CABCVRRESA-N 325.334 2.710 70 50 EFIA CC[C@H](C)[C@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2[nH]1 218317814 XMKTWRFZWKBLCB-ZBEGNZNMSA-N 349.398 2.518 70 50 EFIA O[C@@H](c1ccccc1)c1cc2n(n1)CCN(Cc1nccn1C1CC1)C2 217869060 KPXWPKYMLUWLQP-FQEVSTJZSA-N 349.438 2.512 70 50 EFIA COC(=O)[C@@H](NC(=O)CCn1ccc2c(Cl)cccc21)C(C)C 218263762 UUHUHNKTYDCEPN-INIZCTEOSA-N 336.819 2.999 70 50 EFIA O=C(NCCOc1cccc2cccnc12)c1n[nH]c2ccccc12 218280442 SBMZYPLWKCZLMJ-UHFFFAOYSA-N 332.363 2.920 70 50 EFIA O=C(CCOc1ccccc1)N[C@@H]1CCCN(Cc2cccnc2)C1 218413922 HLBXGWZEGRFORK-GOSISDBHSA-N 339.439 2.631 70 50 EFIA Cc1nc(N)sc1C(=O)N(C)Cc1nc2cc(Cl)ccc2[nH]1 217197815 BVOJUMATFVWZNB-UHFFFAOYSA-N 335.820 2.836 70 50 EFIA COc1ccccc1CNC(=O)CN1CCC[C@@H]1c1cccc(C)n1 160227953 REYYKHNEMVCMCW-GOSISDBHSA-N 339.439 2.852 70 50 EFIA COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1O 217611568 GXQRNADCXWFYCR-LBPRGKRZSA-N 328.320 2.750 70 50 EFIA biogenic C[C@H](O)c1cc2n(n1)CCCN(C1CCN(C3CCCC3)CC1)C2 216970299 MQJQCSGXEXBMRP-HNNXBMFYSA-N 332.492 2.549 70 50 EFIA Cc1cccnc1C[C@H](C)NC(=O)c1ccccc1N1CCOCC1 218364961 ZABYDGQIMBNZBY-INIZCTEOSA-N 339.439 2.588 70 50 EFIA COc1ccccc1N1CC[C@@H](NC(=O)[C@H](OC)c2ccccc2)C1 161174750 SNBICYQVSNBRHN-VQIMIIECSA-N 340.423 2.778 70 50 EFIA O[C@H](c1ccccc1)c1cc2n(n1)CCN(Cc1nccn1C1CC1)C2 217868969 KPXWPKYMLUWLQP-HXUWFJFHSA-N 349.438 2.512 70 50 EFIA Cc1ccc2[nH]c([C@@H](C)NC(=O)COCC(F)(F)C(F)F)nc2c1 217794210 RZCMQFGPGXBKOI-SECBINFHSA-N 347.312 2.966 70 50 EFIA CC(C)c1cc(C(=O)NCc2nc(C3CCCCC3)no2)nc(N)n1 218415080 ZVDQILGUOGINNN-UHFFFAOYSA-N 344.419 2.543 70 50 EFIA Cc1nn(C)c(C)c1C(=O)NC[C@@H](c1ccccc1)N1CCCCC1 217804515 ZYEPWVLYWBBSHM-SFHVURJKSA-N 340.471 2.994 70 50 EFIA Cc1scc(C(=O)N[C@@H]2[C@@H](N)[C@H]3CCO[C@H]32)c1-c1ccccc1 218073899 SRTNVJYKPDGOSK-VJUNAUMWSA-N 328.437 2.568 70 50 EFIA CC(C)[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@@H]1CCOC(C)(C)C1 218281761 FYVYUIDNXAOPDC-MFKMUULPSA-N 339.461 2.689 70 50 EFIA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 160227033 KRHOAQIKWBSAEU-KGLIPLIRSA-N 339.424 2.989 70 50 EFIA Cn1cccc1C(=O)C(=O)N1CCC[C@H](COc2cccc(F)c2)C1 216923062 ISIPDESZARXUOX-AWEZNQCLSA-N 344.386 2.665 70 50 EFIA CC(C)c1nc(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)cs1 218199150 SWKVHAWWBBGPLK-UHFFFAOYSA-N 325.821 2.581 70 50 EFIA O=C(NCc1nc(-c2ccccc2)n[nH]1)c1ccnc2ccccc12 217527044 UCXUEDQGNLYTFK-UHFFFAOYSA-N 329.363 2.950 70 50 EFIA Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC[C@@H](N(C)C)C1 161371718 QSDJAASMGSUNHE-CYBMUJFWSA-N 332.835 2.610 70 50 EFIA COC(=O)c1sccc1Nc1c(NC2CCCCC2)c(=O)c1=O 218225740 SIWOWKYFNDRKQQ-UHFFFAOYSA-N 334.397 2.619 70 50 EFIA Cc1nc(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)no1 161069886 PAEOTLOSZPGXRW-QWHCGFSZSA-N 327.306 2.705 70 50 EFIA O=C(Nc1ccnn1C[C@@H]1CCOC1)N(Cc1cccnc1)C1CC1 159528609 DQTDBTAWPLWYAY-HNNXBMFYSA-N 341.415 2.511 70 50 EFIA Cn1cnc2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2c1=O 218372292 WOBGDZCUHYSJLG-UHFFFAOYSA-N 345.362 2.576 70 50 EFIA Cc1cc(COc2ccccc2)oc1C(=O)N[C@H](C)Cn1cncn1 218740317 PCNWGFXZBAWULG-CQSZACIVSA-N 340.383 2.577 70 50 EFIA O=S(=O)(OCC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95682125 NFLLLSBGBGDVEO-UHFFFAOYSA-N 332.115 2.686 70 50 EFIA COc1cc2c(cc1CN1C[C@@H]3CC[C@H](C1)[C@@H]3OC)OCCCO2 217011663 YNDDUVYLAAEQJQ-BDQBCWGISA-N 333.428 2.713 70 50 EFIA Cc1ccc(SCCN(C)c2cc(C3CC(O)C3)nc(N)n2)cc1 218302527 UQEVAYKXTMRCLQ-UHFFFAOYSA-N 344.484 2.834 70 50 EFIA Cc1nnc(SCCNC(=O)CCc2cccc(F)c2)s1 217986884 WPPSGSBPDCESAN-UHFFFAOYSA-N 325.434 2.827 70 50 EFIA Cc1nc(-c2ccc(CNC(=O)[C@@H]3Cc4ccccc4O3)cc2)no1 218416236 HOJXSOZJJWRCRG-KRWDZBQOSA-N 335.363 2.665 70 50 EFIA CO[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cnc(NCc3ccccc3)nc1)C2 216991511 CGEYYFYZTCBWRF-BWTSREIZSA-N 338.455 2.946 70 50 EFIA O=C(c1ccccc1N1CCOCC1)N1CCC[C@@H]1c1ccccn1 217751708 FAMWGWGHKZEPLQ-LJQANCHMSA-N 337.423 2.896 70 50 EFIA O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1ccn(C(F)F)n1 218620034 RKOJVSPRNOGGRD-CQSZACIVSA-N 331.326 2.646 70 50 EFIA Cc1ccccc1CN(CCS(=O)(=O)F)Cc1ncoc1C 1875382931 XXIKUGRGYFPKNN-UHFFFAOYSA-N 326.393 2.593 70 50 EFIA c1ccc2c(c1)OC[C@@H](CCc1ccc(N3CCSCC3)nn1)O2 218747475 AIDYNKHXFOKJRH-OAHLLOKOSA-N 343.452 2.802 70 50 EFIA CCc1nc2cc(NC(=O)N3CCC[C@H](CC(N)=O)C3)ccc2o1 160485485 ZHLLJIJCXUOECJ-LLVKDONJSA-N 330.388 2.510 70 50 EFIA CCOc1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)Cl 95698120 XPGRHTBDPVXBHI-UHFFFAOYSA-N 340.788 2.660 70 50 EFIA O[C@H]1C[C@H]([C@H](Cc2ccccn2)NC2CCC3(CCNCC3)CC2)C1 218048169 HJKRPLDPXYMNID-DBVUQKKJSA-N 343.515 2.666 70 50 EFIA Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccccc1)N1CCCCC1 217804590 ZYEPWVLYWBBSHM-GOSISDBHSA-N 340.471 2.994 70 50 EFIA CCc1n[nH]c(=O)c(CNC(=O)N2C[C@@H](C)c3ccccc32)c1CC 160430992 NENDDBHQCILWID-GFCCVEGCSA-N 340.427 2.728 70 50 EFIA CCCn1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c(C)n1 218034407 OZISZSOGNQLPMQ-HPBDAGMYSA-N 331.460 2.925 70 50 EFIA O=C1C[C@H](c2coc3ccccc3c2=O)c2cc3c(cc2O1)OCO3 217730137 ZZMJBHZFGXLLHX-NSHDSACASA-N 336.299 2.963 70 50 EFIA biogenic COc1ccc(F)cc1C(=O)N[C@@H]1COCC[C@@H]1OCC=C(C)C 217990947 NFEBBWCIUNKAOI-WBVHZDCISA-N 337.391 2.704 70 50 EFIA O=C(NCCCc1ccccc1)c1ccccc1OS(=O)(=O)F 1875389934 QVWATTKTAUWTAX-UHFFFAOYSA-N 337.372 2.642 70 50 EFIA Cc1nc(C2CC(O)C2)cc(N(C)Cc2ccccc2-n2cccn2)n1 218202585 LEQPPJBHIBZYHY-UHFFFAOYSA-N 349.438 2.845 70 50 EFIA COC(=O)c1csc(NC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c1 161035642 HZKGEHJSKKUVRT-WCQYABFASA-N 348.428 2.846 70 50 EFIA Cc1cc(Cl)cc2c(N3CCn4nc(CO)cc4C3)ccnc12 217497479 KTHZJSHPUSGURN-UHFFFAOYSA-N 328.803 2.906 70 50 EFIA CCNC(=O)c1cccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)c1 159615993 HRRNZOIOAPTLNB-YOEHRIQHSA-N 329.444 2.639 70 50 EFIA Cc1ccc(-c2ccc(CCC(=O)NC[C@@H]3COCCO3)o2)cc1 217535453 CXJWMQLYIDZPGH-QGZVFWFLSA-N 329.396 2.719 70 50 EFIA COc1ccc2[nH]c(C(=O)N3CCC(c4noc(C)n4)CC3)cc2c1 217057751 SYWQUGADQGFENP-UHFFFAOYSA-N 340.383 2.888 70 50 EFIA CN(Cc1nc2cc(Cl)ccc2[nH]1)c1cc(C2CC(O)C2)ncn1 218685356 OHTCFFQUVGZEGS-UHFFFAOYSA-N 343.818 2.881 70 50 EFIA Cc1nnnn1-c1ccccc1C(=O)N1CCCC[C@H]1c1cccnc1 217991121 XJKGVFITADQBPZ-KRWDZBQOSA-N 348.410 2.733 70 50 EFIA biogenic CC[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1ccsc1)C2 217036158 MBQPVTDDKZUBJK-INIZCTEOSA-N 333.457 2.753 70 50 EFIA COc1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1O 217708172 IILVQZXDTXLFGF-LBPRGKRZSA-N 338.315 2.948 70 50 EFIA biogenic COC(=O)c1csc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 160737587 YQHNAKMUHPFRSB-GFCCVEGCSA-N 334.401 2.637 70 50 EFIA CC(=O)NC1CCC(NC[C@@H]2CCCN(Cc3cccs3)C2)CC1 161377868 HHONYROKJBWDEW-AOCRQIFASA-N 349.544 2.997 70 50 EFIA C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cccc(S(=O)(=O)F)c1 170597709 JDANLKMKFMGQQF-SNVBAGLBSA-N 341.335 2.890 70 50 EFIA O=C(NCCc1cccc(F)c1)Nc1ccn(CC(F)(F)F)n1 160859509 AUAULAFVAPWNTD-UHFFFAOYSA-N 330.285 2.949 70 50 EFIA CCC(N)(CC)CNC(=O)c1nn(-c2ccccc2)c2c1CCC2 160450837 IROURLBOAFDXAM-UHFFFAOYSA-N 326.444 2.608 70 50 EFIA O=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2cc3c(cc2O1)OCO3 217628099 LWSYFBKAKMRLGH-LLVKDONJSA-N 335.315 2.698 70 50 EFIA biogenic COC[C@@H]1[C@@H](NC(=O)c2cc(C)nc3c(C)cccc23)[C@@H]2CCO[C@@H]21 218047018 AEFNOHFYQBKGRY-FXECBMLZSA-N 340.423 2.631 70 50 EFIA CC(C)c1nc2ccccc2n1CCNC(=O)[C@@H]1CC(=O)OC1(C)C 218337130 JTVUEYPQBNNJHD-ZDUSSCGKSA-N 343.427 2.618 70 50 EFIA Cc1ccc2[nH]c(CCC(=O)N[C@@H](C)Cc3cnccn3)nc2c1C 218138569 VMPFDSFMYROYPV-ZDUSSCGKSA-N 337.427 2.650 70 50 EFIA NCC[C@@H]1CN(C(=O)CCc2ccc(-c3ccccc3)cc2)CCO1 218361037 XBBMXWUOYPHJSB-HXUWFJFHSA-N 338.451 2.862 70 50 EFIA C[C@H](c1nccs1)N(C)C(=O)c1n[nH]c(N)c1-c1ccccc1 217895287 VKVZQBAVPJMSPQ-SNVBAGLBSA-N 327.413 2.949 70 50 EFIA CC(C)OC1CCC(NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)CC1 159431362 VAPBYXXHPWQPPS-IYXRBSQSSA-N 346.427 2.872 70 50 EFIA CCc1ncnc(N2CCN(c3nc4cc(C)ccc4o3)CC2)c1F 159394198 GWWWUISGQGJIBT-UHFFFAOYSA-N 341.390 2.954 70 50 EFIA COC(=O)[C@H](CC(C)C)NC(=O)c1sc(-n2cccc2)nc1C 218363809 MKMMJNUQHPOFNW-LBPRGKRZSA-N 335.429 2.560 70 50 EFIA O=C(NCCc1nc(C2CC2)no1)c1ccc(N2CCCC2)cc1 217688469 GPNOYKVPXBVDKX-UHFFFAOYSA-N 326.400 2.520 70 50 EFIA CSCC[C@@H](CO)NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2 217798607 OEVNIHRIJNVTOQ-HNNXBMFYSA-N 337.485 2.563 70 50 EFIA biogenic Cn1cc([C@@H](NC(=O)c2csc3c2CCCC3)C2CC(O)C2)cn1 218406917 XOJVKWLUDYXAOD-YUNLISADSA-N 345.468 2.602 70 50 EFIA O=C(c1cc2sccc2[nH]1)N1CCCO[C@H](CN2CCCC2)C1 217083205 TZKCDQQGKPYUSN-CYBMUJFWSA-N 333.457 2.556 70 50 EFIA C[C@@H]1CN(S(=O)(=O)F)C[C@H](c2cccc(C(F)(F)F)c2)O1 1875375146 SCQRGYBWWNRGBL-LDYMZIIASA-N 327.299 2.682 70 50 EFIA O=C(Nc1cccc(S(=O)(=O)F)c1)Nc1ccccc1C(=O)O 100855988 VNDMMYSCSORQFE-UHFFFAOYSA-N 338.316 2.687 70 50 EFIA CN(C(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccc2c(c1)OCO2 160585282 RDULXWMDMBDLHD-UHFFFAOYSA-N 340.379 2.649 70 50 EFIA CCc1onc(C)c1NC(=O)Nc1ccc(F)c(-n2nnnc2C)c1 159402249 KMTLGXVKURXXAL-UHFFFAOYSA-N 345.338 2.613 70 50 EFIA O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC(NCC2CC2)CC1 159738849 IEHLVNFZBQMNCB-HNNXBMFYSA-N 348.874 2.882 70 50 EFIA OCc1cc2n(n1)CCN(Cc1cccc(F)c1C(F)(F)F)C2 217063488 RXMPJMMTASSXHC-UHFFFAOYSA-N 329.297 2.549 70 50 EFIA COc1cc(OC)cc(OCCCN2C(=O)c3ccccc3C2=O)c1 217827227 ZDPQFYCLPSZWEM-UHFFFAOYSA-N 341.363 2.769 70 50 EFIA in-vitro CCc1nc(C)ccc1OCC(=O)NCc1nc2cc(F)ccc2[nH]1 216908838 GSAZZSVPTUNCND-UHFFFAOYSA-N 342.374 2.663 70 50 EFIA CCc1nnc(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)o1 161173437 NZANUBSPQSWNOV-CHWSQXEVSA-N 341.333 2.959 70 50 EFIA CCN(CC)C(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161171096 ZEPFDDBDHLXOQY-HUUCEWRRSA-N 344.377 2.682 70 50 EFIA COCCN1C[C@@H](Cc2cccc(-c3nnc(C)s3)c2)CC1=O 218189068 RNDGXJGNKIWIKT-AWEZNQCLSA-N 331.441 2.551 70 50 EFIA COc1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1OC 217898856 GJVCIDUDFMWGFC-NSHDSACASA-N 328.320 2.874 70 50 EFIA biogenic CC(C)c1nccn1CCCNC(=O)[C@H]1CCc2ccccc2O1 218746317 CVCPQPFFFYCXCH-QGZVFWFLSA-N 327.428 2.907 70 50 EFIA CN(Cc1ccco1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 159430401 NAYSIWNKEOGAOY-GFCCVEGCSA-N 334.807 2.748 70 50 EFIA CCNc1nc(C)c(C(=O)N2CCCC[C@H]2c2nc(C)no2)s1 218361425 CVFIATWHTRPUIY-NSHDSACASA-N 335.433 2.942 70 50 EFIA O=C(CCSCc1ccc(F)cc1)NCc1cnc2cnccn12 218361650 NLWZZCQJJFZDBJ-UHFFFAOYSA-N 344.415 2.808 70 50 EFIA O=C(Cc1cc(F)c(F)cc1F)N1CCCC[C@@H]1c1ncon1 161402230 JDUIYAZHBQYOPO-CYBMUJFWSA-N 325.290 2.783 70 50 EFIA O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@@H]1c2ccccc2C[C@@H]1O 160145453 BMVGVKRUGVBLFG-ZWKOTPCHSA-N 334.379 2.857 70 50 EFIA COCCc1noc([C@H](C)NC(=O)c2ccc(Cl)cc2F)n1 218642346 NZYNQDMMPYRSEN-QMMMGPOBSA-N 327.743 2.542 70 50 EFIA O=S(=O)(F)Oc1ccc(CN2CCc3ccc(O)cc3C2)cc1 1875387664 RLBYDJIVFRWQRT-UHFFFAOYSA-N 337.372 2.544 70 50 EFIA O=C(NCc1nc2ccc(Cl)cc2[nH]1)[C@H](O)c1cccc(F)c1 217385319 JGQFYQURGKNCIH-OAHLLOKOSA-N 333.750 2.705 70 50 EFIA Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 160227172 KRHOAQIKWBSAEU-KBPBESRZSA-N 339.424 2.989 70 50 EFIA CC[C@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1ccnn1C 218133528 KYYPCYVMLRRTAT-SFHVURJKSA-N 340.471 2.867 70 50 EFIA Cc1ccccc1CN(CCS(=O)(=O)F)[C@@H]1CCCOCC1 1875382498 DHWVQXOJKNSZTE-MRXNPFEDSA-N 329.437 2.665 70 50 EFIA Cn1c(=O)c([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc2ccccc21 217869810 FGIJBPFABTXZRW-GFCCVEGCSA-N 349.342 2.708 70 50 EFIA biogenic Cc1cc(CNC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)n[nH]1 218574644 AEQBLZCGVIMQQM-QGZVFWFLSA-N 330.407 2.701 70 50 EFIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1ccc(F)c(F)c1 1875384672 IGBOPCOLKQSTFM-UHFFFAOYSA-N 331.271 2.810 70 50 EFIA COc1ccc(Cl)cc1C(=O)NCCSc1nccn1C 217530252 WUIMGJQFPGCEAL-UHFFFAOYSA-N 325.821 2.604 70 50 EFIA COCCNC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 161081845 MVHGEHZOBFMLEC-VIFPVBQESA-N 337.367 2.697 70 50 EFIA CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(C(N)=O)cc1)CCC2 161004498 GWQWBMUQOKPAGN-AWEZNQCLSA-N 343.452 2.954 70 50 EFIA Cc1cc(C(=O)N2CCC[C@H](COc3ccccc3C)C2)cc(=O)[nH]1 217983106 UZMCETMEUONMDK-INIZCTEOSA-N 340.423 2.923 70 50 EFIA COC(=O)[C@@H](CCSC)NC(=O)c1cccc(-n2cccc2)c1 216692284 KREJLXSJRYRZGN-OAHLLOKOSA-N 332.425 2.502 70 50 EFIA COCCOCC(=O)N1CCSc2ccc(C(F)(F)F)cc21 161386079 DTQICLBUSQLFTH-UHFFFAOYSA-N 335.347 2.807 70 50 EFIA Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)s1 218237963 WLCKTLPPBWULJA-HZPDHXFCSA-N 347.436 2.515 70 50 EFIA O[C@@H](c1ccccc1)c1cc2n(n1)CCCN(CCc1ccccn1)C2 217905183 WUFYCTAWTVGDEP-NRFANRHFSA-N 348.450 2.808 70 50 EFIA Cc1nc(C)c(CCNC(=O)N2CCC(c3ccnn3C)CC2)s1 159444471 ZBFYHOBSMOQSNS-UHFFFAOYSA-N 347.488 2.625 70 50 EFIA O=C(Cn1cc(-c2ccccc2)ncc1=O)NCCC1=CCCCC1 218293082 JVLYFYRDJVMTHU-UHFFFAOYSA-N 337.423 2.917 70 50 EFIA CCOc1cccc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)c1 161090304 SPTKIADOTULMPI-HNNXBMFYSA-N 326.400 2.881 70 50 EFIA CCOc1ccccc1Oc1ccccc1C(=O)N1CCNCC1 159425239 DSIOPXLIXNSLBJ-UHFFFAOYSA-N 326.396 2.923 70 50 EFIA CNC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCO3)c(Cl)c1 160254553 SLOGMEGJZXRVSW-UHFFFAOYSA-N 346.770 2.610 70 50 EFIA CC[C@H](C(=O)NCc1cccc(CN2CCCC2)c1)n1cccn1 218579865 ZRBGUJFEKMRYPS-GOSISDBHSA-N 326.444 2.746 70 50 EFIA Cn1cc([C@@H]2CCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)C2)cn1 160325168 DFRABPWIDVJEBS-SECBINFHSA-N 339.226 2.939 70 50 EFIA COCCOC(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12 95698241 MCKVNSRTQQIWAN-UHFFFAOYSA-N 343.788 2.962 70 50 EFIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1cccc(O)c1 218547603 KCBOSUULZZFLES-MRXNPFEDSA-N 342.395 2.602 70 50 EFIA CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc(NC=O)cc2)n1 160963015 AZOQBDOXZGMPPO-UHFFFAOYSA-N 335.367 2.855 70 50 EFIA CC1=C(CN2CCCn3nc([C@H](O)CO)cc3C2)C(C)(C)CCC1 217365192 HWTHJNZCKRYQOE-GOSISDBHSA-N 333.476 2.641 70 50 EFIA Cc1nccn1-c1ccc(CNC(=O)c2ccc(CN(C)C)cc2)cn1 160705551 NFFKJZQUXFXAGQ-UHFFFAOYSA-N 349.438 2.567 70 50 EFIA O=S(=O)(F)[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 1776003521 VPURHDSRXRVLOW-SSDOTTSWSA-N 332.706 2.632 70 50 EFIA COC(=O)c1csc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)c1 160737475 YQHNAKMUHPFRSB-LBPRGKRZSA-N 334.401 2.637 70 50 EFIA Cc1cnccc1N1CCN(C(=O)[C@@H](C)c2ccc(O)cc2)CC1 218256904 HWSRUNYSXUHMSA-HNNXBMFYSA-N 325.412 2.548 70 50 EFIA C[C@H](Cc1cccnc1)NC(=O)CCC(=O)N(C)C1CCCCC1 217154251 UGAUQOIDLRHOLY-OAHLLOKOSA-N 331.460 2.700 70 50 EFIA Cc1nn(CCC(=O)N2CCN(C)[C@H](c3ccccc3)C2)c(C)c1C 218276356 HUBCEPLTHJZRFK-IBGZPJMESA-N 340.471 2.714 70 50 EFIA CO[C@@H]1CCOC[C@H]1NC(=O)c1c(-c2ccccc2)ccnc1C 218151901 BLAGKCWFSOIXGT-IAGOWNOFSA-N 326.396 2.591 70 50 EFIA O=C(CCCc1ccccc1)NCCc1noc([C@@H]2CCCO2)n1 217155909 DTRCJRRVQAWQQF-HNNXBMFYSA-N 329.400 2.603 70 50 EFIA CC1(C)OC(=O)C[C@@H]1C(=O)NCCc1nc(-c2ccccc2)cs1 218473272 YSVPMDZEFWICOI-CYBMUJFWSA-N 344.436 2.811 70 50 EFIA COCCn1c(C)cc(C)c(C(=O)Nc2ccc3[nH]ccc3c2)c1=O 218566575 YWKWUTOBUAWSOW-UHFFFAOYSA-N 339.395 2.845 70 50 EFIA CN1C(=O)C[C@@H](CNC(=O)c2cccc(F)c2F)c2ccccc21 216971119 FZNTZNRAZWNMFA-NSHDSACASA-N 330.334 2.845 70 50 EFIA O=C(NCCc1csc(-c2ccncc2)n1)c1ccn(C(F)F)n1 218498909 BLLASXKHGWJTQU-UHFFFAOYSA-N 349.366 2.769 70 50 EFIA CCCNc1ncc(CN2CCN(C)[C@@H](c3ccccc3)C2)cn1 216917997 VCDBPLYCBCSKPG-GOSISDBHSA-N 325.460 2.787 70 50 EFIA CC(=O)c1ccc2c(c1O)[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 217841068 POJKCJZQSADZHM-ZDUSSCGKSA-N 349.342 2.877 70 50 EFIA biogenic Cc1cc(C(=O)N(C)c2ccc3c(c2)OCO3)c2c(C)noc2n1 160099677 LCJGTNXVTRIFTM-UHFFFAOYSA-N 325.324 2.845 70 50 EFIA COC(=O)c1csc(NC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 161035520 HZKGEHJSKKUVRT-DGCLKSJQSA-N 348.428 2.846 70 50 EFIA Cc1ccc(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)c(F)c1 217989152 NHMQNTAWZQOKDH-MRXNPFEDSA-N 334.435 2.851 70 50 EFIA O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC[C@H]1c1cccnc1 217939527 RWCSMXXDAIEENT-SFHVURJKSA-N 348.406 2.614 70 50 EFIA biogenic Cc1ccccc1OC[C@H]1CCCN(C(=O)Cc2cnccn2)C1 217486190 BAEJVIVQGJIDNN-INIZCTEOSA-N 325.412 2.645 70 50 EFIA CC(C)Cc1nc2ccccc2n1[C@H](C)C(=O)NCCc1cn[nH]c1 216964754 SKPQCBXPBXZQMX-CQSZACIVSA-N 339.443 2.878 70 50 EFIA C[C@@H](c1nccs1)N(C)C(=O)c1n[nH]c(N)c1-c1ccccc1 217895195 VKVZQBAVPJMSPQ-JTQLQIEISA-N 327.413 2.949 70 50 EFIA Cn1cccc1C(=O)C(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 216923044 ISIPDESZARXUOX-CQSZACIVSA-N 344.386 2.665 70 50 EFIA c1ccc2c(c1)OC[C@H](CCc1ccc(N3CCSCC3)nn1)O2 218747507 AIDYNKHXFOKJRH-HNNXBMFYSA-N 343.452 2.802 70 50 EFIA C[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccccc1-n1cccn1 159756000 ZTPMCGGPGDCUNJ-CYBMUJFWSA-N 335.411 2.965 70 50 EFIA Cc1onc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1CO 216949513 UOBCOYQHDIJBFM-UHFFFAOYSA-N 341.367 2.636 70 50 EFIA CCN(CCN1CCCCCC1)C(=O)c1cc(C(C)C)nc(N)n1 218127198 HBUWNSBCNAREJM-UHFFFAOYSA-N 333.480 2.520 70 50 EFIA Cc1cc(CN(C)C(=O)Cc2cc3c(cc2Cl)OCCO3)on1 216942048 ZIPROXGNHNWPEY-UHFFFAOYSA-N 336.775 2.609 70 50 EFIA CC(=O)c1ccc(C(=O)NCCc2nc(C)c3c(n2)CCCC3)s1 218307525 BIPWJSDKQRAMEC-UHFFFAOYSA-N 343.452 2.900 70 50 EFIA CSc1ncccc1C(=O)N(C)CCc1noc(C(F)(F)F)n1 217629303 YCTNSARHMUBGBM-UHFFFAOYSA-N 346.334 2.520 70 50 EFIA COc1ccc(C(=O)N2CCC(c3ccnc(C)n3)CC2)cc1F 217087896 DEKXTHBIWNUUOV-UHFFFAOYSA-N 329.375 2.953 70 50 EFIA CSCc1nc(-c2ccncc2)nn1Cc1ccc2c(c1)OCO2 217374638 IOGLHMOAQQMRQE-UHFFFAOYSA-N 340.408 2.980 70 50 EFIA COC(=O)C[C@@H](c1oc(CN2CCCCC2)cc(=O)c1O)C(C)C 217772055 VGINAJPXGXYONA-CQSZACIVSA-N 337.416 2.634 70 50 EFIA biogenic CCO[C@@H]1COCC[C@H]1NC(=O)c1c(C)c2cccc(C)c2n1C 218539702 QXDXWDSQDOTHGB-HZPDHXFCSA-N 330.428 2.719 70 50 EFIA O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCCNCC1 160878556 RYAAHKDLUYLBBN-UHFFFAOYSA-N 339.226 2.615 70 50 EFIA CO[C@H](C(=O)Nc1cccn(CC(F)(F)F)c1=O)c1ccccc1 159834522 HSWFVLVZEHXLIP-ZDUSSCGKSA-N 340.301 2.737 70 50 EFIA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccc(O)cn1 218436460 IJSZZQYUQSZGQX-NSRCDFIJSA-N 349.390 2.577 70 50 EFIA Cn1c2ccccc2c2cc(CC(=O)NCCn3ccnc3)ccc21 217020128 RRCBLKRBKXNQLP-UHFFFAOYSA-N 332.407 2.887 70 50 EFIA COc1cccc(F)c1C(=O)N1CCN(C)[C@H](c2ccccc2)C1 217064392 QAMLSYAFUNJHDK-INIZCTEOSA-N 328.387 2.963 70 50 EFIA O=C(c1ccc2[nH]ccc2c1)N1CCCO[C@@H](CN2CCCCC2)C1 217197914 YVTVYCBDGRCZCB-SFHVURJKSA-N 341.455 2.885 70 50 EFIA CC(C)[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@H]1CCOC(C)(C)C1 218281857 FYVYUIDNXAOPDC-GWCFXTLKSA-N 339.461 2.689 70 50 EFIA CCCc1nc(CS(=O)(=O)c2ncc(C(C)(C)C)s2)no1 160399898 XHJSJHDWXMSUKI-UHFFFAOYSA-N 329.447 2.750 70 50 EFIA CC(=O)NC1CCC(NC2CCN(Cc3cccc(C)c3)CC2)CC1 161297113 KDBRFWIRSCDTDU-UHFFFAOYSA-N 343.515 2.996 70 50 EFIA O=C(NCCOCc1ccc(Cl)cc1)N1[C@H]2CC[C@H]1CC(O)C2 160523144 JRDVMYITQFUSLJ-GJZGRUSLSA-N 338.835 2.554 70 50 EFIA Cc1cc(C(=O)NC[C@@H]2CCN(C)C2)nc(-c2ccc(Cl)cc2)n1 160105165 GEVGDDLHLXAZLO-ZDUSSCGKSA-N 344.846 2.787 70 50 EFIA O=C(OCc1ccccc1)N1CCC[C@@H](CS(=O)(=O)Cl)C1 100624266 SGQMTLDEQPNJLD-CYBMUJFWSA-N 331.821 2.604 70 50 EFIA Cc1cc(C2CCC2)nc(N2CCn3nc([C@H](O)C4CC4)cc3C2)n1 218410019 RLWOYTXGKZHPDO-GOSISDBHSA-N 339.443 2.713 70 50 EFIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)C1(c3ccc(F)cc3)CC1)C2 217665586 WVYYPYLFKROYFA-ZDUSSCGKSA-N 343.402 2.540 70 50 EFIA COc1ccccc1N1CCC[C@H](NC2CCC3(CC2)OCCO3)C1 161509030 PSEQJESGHKWHQE-KRWDZBQOSA-N 346.471 2.939 70 50 EFIA CC(C)CCc1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)[nH]n1 217715335 ODADKPKOSPDBQD-MAUKXSAKSA-N 332.492 2.993 70 50 EFIA biogenic COc1cc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc2c1OCO2 217722038 SEFPHEUEPMVSHD-SNVBAGLBSA-N 342.303 2.594 70 50 EFIA biogenic COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)c2ccccc2oc1=O 217608152 HRVZLIHRIGJUET-AWEZNQCLSA-N 340.331 2.899 70 50 EFIA biogenic C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nncn1C1CCCC1 218784170 MPMWRWMVFHYJHP-LBPRGKRZSA-N 342.399 2.542 70 50 EFIA O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2cn[nH]c2)CC1 160124840 DXRJQBXKMYNOOX-UHFFFAOYSA-N 332.448 2.994 70 50 EFIA CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@H](C(C)C)CC2)c1CC 160495012 OIBQLJBDUOEUNI-AWEZNQCLSA-N 348.491 2.862 70 50 EFIA Cc1nc2ccc(NC(=O)N3CCC(Cn4ccnn4)CC3)cc2o1 160546700 FOSDXXKVHLIEIV-UHFFFAOYSA-N 340.387 2.672 70 50 EFIA COc1ccc(C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)o1 218504772 FHYCHHJISIASLI-UHFFFAOYSA-N 344.415 2.626 70 50 EFIA Cc1nc2ccc(CNC(=O)CN3CC[C@H](c4ccccc4)C3)cc2[nH]1 217368965 ZPAHDCZSKKJOSG-SFHVURJKSA-N 348.450 2.977 70 50 EFIA O=C(CCOC1CCOCC1)N[C@@H]1CCOC2(CCCCC2)C1 160360051 QOUPFFSQTWKUGD-OAHLLOKOSA-N 325.449 2.570 70 50 EFIA Cc1cn2cc(C(=O)N[C@H]3[C@@H]4CCO[C@@H]4[C@@H]3C3CCCC3)ccc2n1 218051619 MDVPGQLSQLZIFQ-NQYYFHDYSA-N 339.439 2.966 70 50 EFIA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 218523975 BRSDBJZQNNRMPM-AWEZNQCLSA-N 338.363 2.545 70 50 EFIA CCc1c(C(=O)N(C)C2C3CC4CC(C3)CC2C4)[nH]c(C)c1C(N)=O 161436576 BBZGYNBMEQXCBI-UHFFFAOYSA-N 343.471 2.881 70 50 EFIA Cc1nc(NCc2noc(-c3ccccc3)n2)cc(C2CC(O)C2)n1 218393058 XNKGPFZBKIAARL-UHFFFAOYSA-N 337.383 2.685 70 50 EFIA Cc1ccc2[nH]c(SCC(=O)N[C@@H](C)Cc3cc(C)n[nH]3)nc2c1 218272110 RQUVHACMVGNTRZ-NSHDSACASA-N 343.456 2.742 70 50 EFIA OCc1cc2n(n1)CCCN(Cc1c[nH]nc1C1CCCCC1)C2 217667981 AZVYOAWAENKFLW-UHFFFAOYSA-N 329.448 2.552 70 50 EFIA O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)cc1C(F)(F)F 97971784 IRHRWQYWTAZINP-UHFFFAOYSA-N 339.169 2.842 70 50 EFIA in-vitro Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CCOC2(CCOCC2)C1 217806064 JWPFTNWEHLAAQN-OAHLLOKOSA-N 342.439 2.863 70 50 EFIA COc1ccc(C)nc1NC(=O)N1CC[C@H](CN2CCCCC2)C1 160466405 QLBCEYQSXXPFRK-OAHLLOKOSA-N 332.448 2.738 70 50 EFIA CC(C)OC1CCC(NC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)CC1 159431486 VAPBYXXHPWQPPS-HSBZDZAISA-N 346.427 2.872 70 50 EFIA CC(C)[C@@H](CO)NC(=O)Cc1csc2nc(-c3ccccc3)cn12 218330480 KIXPBOIPEUURGN-MRXNPFEDSA-N 343.452 2.738 70 50 EFIA COC(=O)C[C@H](c1ccc(OC)cc1)c1cc2c(cc1O)OCO2 217964513 VTNSPQRYYUWLHL-CYBMUJFWSA-N 330.336 2.825 70 50 EFIA biogenic C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCCNCC1 160848833 NSEQEBQZVJEWLI-HNNXBMFYSA-N 339.439 2.666 70 50 EFIA CCCCOc1c(Cl)cc(C(=O)N2CC[C@@H](N)C2)cc1OC 160298070 QALZSBDNEDTBHL-GFCCVEGCSA-N 326.824 2.701 70 50 EFIA CC(=O)N1CC(Nc2ccc(C(=O)OC(C)C)c(Cl)c2)=CC1=O 218611338 VUBOPXTUACINLO-UHFFFAOYSA-N 336.775 2.590 70 50 EFIA C[C@@H](C(=O)NCCn1ccc2ccccc21)N1Cc2ccccc2C1=O 217679237 IBHHAGKKXRCLOR-HNNXBMFYSA-N 347.418 2.802 70 50 EFIA biogenic Cc1ccc(O[C@H]2COCC[C@H]2NC2CC(C)(C)NC(C)(C)C2)cn1 218385218 MSLYKHZMDINKMI-MSOLQXFVSA-N 347.503 2.825 70 50 EFIA O=C(Nc1cccc2[nH]ccc12)C(=O)N(Cc1ccncc1)C1CC1 160691194 JCVRYXZBKCLPCQ-UHFFFAOYSA-N 334.379 2.693 70 50 EFIA CC(=O)NC1CCC(NC[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 161360059 JPJVUGQMJMXMKT-ZLPCBKJTSA-N 333.451 2.689 70 50 EFIA Cc1cnc(CNC(=O)CCC(=O)c2ccc(F)cc2)c(C)c1O 218257297 KJPDUIKBYHHQHS-UHFFFAOYSA-N 330.359 2.822 70 50 EFIA CCC[C@H]1Nc2cccc[n+]2[B-](c2ccccc2)(c2ccccc2)O1 195789740 YUQXDEMPCLIIDM-NRFANRHFSA-N 330.240 2.647 70 50 EFIA O=C(NCCc1noc([C@@H]2CCCO2)n1)c1ccc2c(c1)CCCC2 218219868 PXJUKRFLIPYXBW-INIZCTEOSA-N 341.411 2.772 70 50 EFIA CC[C@@H](C(=O)NCc1cccc(CN2CCCC2)c1)n1cccn1 218579778 ZRBGUJFEKMRYPS-SFHVURJKSA-N 326.444 2.746 70 50 EFIA COC(=O)c1csc(NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 161035254 HZKGEHJSKKUVRT-YPMHNXCESA-N 348.428 2.846 70 50 EFIA Cc1cc(COc2ccccc2)oc1C(=O)N[C@@H](C)Cn1cncn1 218740260 PCNWGFXZBAWULG-AWEZNQCLSA-N 340.383 2.577 70 50 EFIA Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385491 UQUHVYURBYDOFW-MRVPVSSYSA-N 342.348 2.627 70 50 EFIA O=C(NCc1ccc(-n2cccn2)cc1)c1cccc(-c2ncn[nH]2)c1 160399662 FWEMSJUUOUSTRG-UHFFFAOYSA-N 344.378 2.587 70 50 EFIA Cc1ccc(-c2nc(C#N)c(N3CCC(S(=O)(=O)F)CC3)o2)cc1 1857799620 OTESJIXGZZYGPZ-UHFFFAOYSA-N 349.387 2.790 70 50 EFIA Cn1c(CN2CCN(CC3CC3)[C@@H](CCO)C2)cc2cc(F)ccc21 217573540 HCBLPAARALVTAV-SFHVURJKSA-N 345.462 2.596 70 50 EFIA Cn1cc([C@H]2CCN(C(=O)c3cc(Cl)c(N)c(Cl)c3)C2)cn1 160325266 DFRABPWIDVJEBS-VIFPVBQESA-N 339.226 2.939 70 50 EFIA O=C([C@H]1CCC[C@H](O)C1)N(CCCO)Cc1ccc(Cl)cc1 218033713 FRGYRCYGWGPKOH-HOCLYGCPSA-N 325.836 2.602 70 50 EFIA COc1ccccc1-c1nnc(CN2CCC[C@H]2c2cnn(C)c2)o1 160525621 HVMAGLSCJGAYAB-HNNXBMFYSA-N 339.399 2.816 70 50 EFIA O=C(NCc1nc2ccc(Cl)cc2[nH]1)[C@@H](O)c1cccc(F)c1 217385244 JGQFYQURGKNCIH-HNNXBMFYSA-N 333.750 2.705 70 50 EFIA O[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cnc(-c3ccc(Cl)cc3)nc1)C2 217072815 OERXMKIZYBBEKX-QLPKVWCKSA-N 329.831 3.000 70 50 EFIA O=S(=O)(F)Oc1ccc(CN2CCc3c(O)cccc3C2)cc1 1875387362 DPDYVKYCPMBWLE-UHFFFAOYSA-N 337.372 2.544 70 50 EFIA CC1(C)CCC(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CC1 159445348 KDVYQJIOZFCGCG-UHFFFAOYSA-N 341.448 2.932 70 50 EFIA Cn1cncc1CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161128494 MJSUDDBXPOMIFH-LSDHHAIUSA-N 325.334 2.747 70 50 EFIA CC(C)(C)OC(=O)N1CCc2c(cccc2OS(=O)(=O)F)C1 1875389936 RCZQTNMJBOENPZ-UHFFFAOYSA-N 331.365 2.573 70 50 EFIA OCc1cc2n(n1)CCN(Cc1ccc3cccc(Cl)c3n1)C2 218029623 KFLNGELYWVXTAF-UHFFFAOYSA-N 328.803 2.593 70 50 EFIA COc1ccc(-c2nc3c([nH]2)CCN(c2cc(C4CC4)ncn2)C3)cn1 218128491 KFKRJQWRADAQOH-UHFFFAOYSA-N 348.410 2.710 70 50 EFIA COc1ccccc1-c1cc(C(F)(F)F)nc(NC(N)=S)n1 217029353 OYMKWZYBCJVZSQ-UHFFFAOYSA-N 328.319 2.827 70 50 EFIA CCc1csc(CNC(=O)C2(c3ccccc3)CCN(C)CC2)n1 218607029 SLKCYAZLICPRBT-UHFFFAOYSA-N 343.496 2.985 70 50 EFIA COC(=O)[C@@H](NC(=O)c1cn(C(C)C)c(=O)c2ccccc12)C(C)C 217830380 ZOWDVUBSUBYXQK-INIZCTEOSA-N 344.411 2.510 70 50 EFIA biogenic Cc1cc(CC(=O)NCc2csc(Cc3ccccc3)n2)on1 216981257 SLPXMQYAHHBQND-UHFFFAOYSA-N 327.409 2.889 70 50 EFIA COC(=O)c1ccsc1N1CC[C@H](Sc2ccncc2)C1=O 160015223 GNIAGVLPWWOQCO-LBPRGKRZSA-N 334.422 2.827 70 50 EFIA COCc1nc(CNC(=O)c2cccc(-c3cccc(F)c3)c2)no1 218310723 WQYZXOYNELVKEX-UHFFFAOYSA-N 341.342 2.952 70 50 EFIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1ccc(F)cc1F)C2 218717701 ZWIFPGVVYARXKR-GFCCVEGCSA-N 349.381 2.580 70 50 EFIA CN1CCC(O)(CNC(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1 218739335 QBIPGSIDFDOXTQ-UHFFFAOYSA-N 342.414 2.679 70 50 EFIA COc1ccc([C@H](CCO)Nc2nc(C(C)C)nc(N(C)C)n2)cc1 160383950 QRIFWKSHRRTEOS-HNNXBMFYSA-N 345.447 2.605 70 50 EFIA O=C(Nc1ccnn1C[C@H]1CCOC1)N1CCc2ccc(F)cc2C1 159577230 IDPSFOCFTVNHNE-CYBMUJFWSA-N 344.390 2.649 70 50 EFIA O=C(NCCc1nc2ccccc2[nH]1)c1csc([C@@H]2CCCO2)n1 160397166 AQVXPTMJMRYZTG-AWEZNQCLSA-N 342.424 2.843 70 50 EFIA Cc1cc(C(=O)N2CCC(Oc3ccccc3F)CC2)cc(=O)[nH]1 217740374 VAQOFDHKUWAZAG-UHFFFAOYSA-N 330.359 2.506 70 50 EFIA Cc1nc(-c2cccc(NC(=O)Cc3c(C)noc3Cl)c2)n[nH]1 160682170 OQAVSDADYAKFHR-UHFFFAOYSA-N 331.763 2.911 70 50 EFIA O=C(NCCc1cc2ccccc2[nH]1)c1ccc(N2CCCC2)nn1 159538148 UAKDKNBHWCHPTN-UHFFFAOYSA-N 335.411 2.531 70 50 EFIA O[C@H](c1ccccc1)c1cc2n(n1)CCCN(Cc1cscn1)C2 217627456 HQBHKFNCKOMUMK-GOSISDBHSA-N 340.452 2.827 70 50 EFIA Cc1nn(-c2ccc(F)cc2)c(C)c1CN1C[C@@H]2CC[C@H](C1)[C@@H]2O 217212601 XKFYSVVTLLHVCR-QWHZDKJVSA-N 329.419 2.831 70 50 EFIA Cc1ccc2ncccc2c1CNC(=O)COC[C@@H]1CCCCO1 217552664 QRYGNWXSJSWOTK-HNNXBMFYSA-N 328.412 2.745 70 50 EFIA CN1CC[C@@H](NC(=O)NCc2ccco2)[C@@H]1c1ccc(F)c(F)c1 160709728 UJZSPUBWRHVOIN-CVEARBPZSA-N 335.354 2.802 70 50 EFIA Cc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(C)oc(=O)c43)cc2c1 217990134 VVZDOMMULBULHS-LBPRGKRZSA-N 337.331 2.539 70 50 EFIA biogenic Cc1cc(N)n(CC(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)n1 216931922 YFPAOASQNSWVLX-AWEZNQCLSA-N 332.835 2.833 70 50 EFIA CC[C@@H]1[C@@H](NC(=O)Cc2nc3cc(Cl)ccc3[nH]2)[C@@H]2CCO[C@@H]21 218783994 QYELUZATTQJPKO-ZWUPXRALSA-N 333.819 2.689 70 50 EFIA CN1CCC(CNC(=O)C(=O)c2ccccc2)(c2ccccc2)CC1 217178145 OWOIWKOXVRMIHL-UHFFFAOYSA-N 336.435 2.649 70 50 EFIA Cc1nc2c(c(N[C@@H]3CCOC[C@H]3OCc3cscn3)n1)CCC2 218674403 JSMDEQRNWCDOSW-HZPDHXFCSA-N 346.456 2.516 70 50 EFIA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 218523890 BRSDBJZQNNRMPM-CQSZACIVSA-N 338.363 2.545 70 50 EFIA O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)F)c1 100855994 MTQGBSZOHDRMRG-UHFFFAOYSA-N 339.304 2.897 70 50 EFIA O=S(=O)(c1cccc(F)c1F)N1CCC[C@H](N2CCCC2)CC1 160123399 CUPOINXGKCIIGM-ZDUSSCGKSA-N 344.427 2.604 70 50 EFIA COc1cc(C(=O)N2CC[C@@H](N)C2)cc(Cl)c1OCCC(C)C 160294904 VBJRLWVXJVYQKB-CYBMUJFWSA-N 340.851 2.947 70 50 EFIA C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1nnc(N)s1 218085478 YJSBQVSTRDPCIT-SSDOTTSWSA-N 330.335 2.559 70 50 EFIA O=C(Cc1ccc(O)cc1)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 216789144 NKULJUYMCNHOIW-ROUUACIJSA-N 328.456 2.658 70 50 EFIA O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC(NCC2CC2)CC1 159738985 IEHLVNFZBQMNCB-OAHLLOKOSA-N 348.874 2.882 70 50 EFIA C[C@@H]1CN(S(=O)(=O)F)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1875375144 SCQRGYBWWNRGBL-KCJUWKMLSA-N 327.299 2.682 70 50 EFIA COC(=O)[C@@H](NC(=O)CCn1cc(C(C)=O)c2ccccc21)C(C)C 217712714 NUSIEVURTBVGOB-SFHVURJKSA-N 344.411 2.548 70 50 EFIA biogenic O[C@H](c1ccccc1)c1cc2n(n1)CCCN(CCc1ccccn1)C2 217905083 WUFYCTAWTVGDEP-OAQYLSRUSA-N 348.450 2.808 70 50 EFIA Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)n1 216919263 RUUVBPKXWWWNHG-MSOLQXFVSA-N 349.434 2.653 70 50 EFIA CC(C)[C@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2n1C 218324466 KRINWVPSJZCWLB-INIZCTEOSA-N 337.427 2.912 70 50 EFIA CC(C)[C@H](NC(=O)c1cc(=O)[nH]c2ccc(F)cc12)c1nccn1C 218429174 KHHXFTVIPWGINY-INIZCTEOSA-N 342.374 2.528 70 50 EFIA CCOCCOc1ccccc1C(=O)N(C)[C@@H](C)c1ccncn1 218691548 MEKNXKMLBDIFCG-AWEZNQCLSA-N 329.400 2.725 70 50 EFIA OCc1cc2n(n1)CCCN(Cc1ccc(C(F)(F)F)c(F)c1)C2 217212450 NFYWYGRTLGVVLQ-UHFFFAOYSA-N 343.324 2.939 70 50 EFIA Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(CC(N)=O)CC1 159824650 LQRUZCJIISUHKB-UHFFFAOYSA-N 344.434 2.716 70 50 EFIA Cc1nnc(CN(C)C(=O)CO[C@H](c2ccccc2)C(F)(F)F)o1 217023734 NQKKESZHQXQEGL-CQSZACIVSA-N 343.305 2.657 70 50 EFIA CSc1nc(C(=O)N2CCC(Cc3noc(C)n3)CC2)cs1 218759383 OPUCHWONLLHXIB-UHFFFAOYSA-N 338.458 2.651 70 50 EFIA Cc1nc(N)ncc1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 217202993 HXNOCPFTFUPHCL-HNNXBMFYSA-N 336.399 2.611 70 50 EFIA O=C(OCc1ccccc1)N1CCC(CS(=O)(=O)Cl)CC1 100190572 JOQRDARBUIIJCV-UHFFFAOYSA-N 331.821 2.604 70 50 EFIA Cc1sc(Cl)nc1C(=O)Nc1ccc(Cn2cncn2)cc1 218149207 QHVBBIXPPRPDAM-UHFFFAOYSA-N 333.804 2.997 70 50 EFIA Cc1cc(N)n(CC(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)n1 216931897 YFPAOASQNSWVLX-CQSZACIVSA-N 332.835 2.833 70 50 EFIA COc1cc2c(cc1CN1CCCn3nc([C@@H](C)O)cc3C1)CCC2 217681386 FLUMLCGGJXCKHG-CQSZACIVSA-N 341.455 2.840 70 50 EFIA Cc1nonc1CC(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 218308461 XKKIQHQPSADXPT-QGZVFWFLSA-N 342.786 2.875 70 50 EFIA CC[C@H](NC(=O)c1c(C)[nH]c(C(C)=O)c1C)c1cn2cccnc2n1 217448693 IDTGLGSVVOAQRE-ZDUSSCGKSA-N 339.399 2.758 70 50 EFIA COCc1noc(CNC(=O)c2cc(C(F)(F)F)ccc2Cl)n1 218292095 QBYUBBLBNOOWDU-UHFFFAOYSA-N 349.696 2.818 70 50 EFIA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cccc(C)c1O)C2 216951099 YXVXYOISHXDHFO-CVEARBPZSA-N 342.439 2.730 70 50 EFIA Cc1nc2ccccc2n1CCC(=O)N[C@H](c1nccn1C)C(C)C 218190108 ZYEZRBBXXLWSHX-SFHVURJKSA-N 339.443 2.982 70 50 EFIA CC(=O)c1c(C)nn(CC(=O)N2CCCC[C@H]2c2ccccn2)c1C 216909387 VTGAJFDRMJJRGS-KRWDZBQOSA-N 340.427 2.851 70 50 EFIA Cc1ccccc1CN(CCS(=O)(=O)F)[C@H]1CCCOCC1 1875382497 DHWVQXOJKNSZTE-INIZCTEOSA-N 329.437 2.665 70 50 EFIA O=C(NCc1csc(Cc2ccccc2)n1)[C@H]1CCC[C@@H](O)C1 218587118 PIFDBRIRIGOLGG-GOEBONIOSA-N 330.453 2.901 70 50 EFIA Cc1ncccc1CN1CCn2nc([C@@H](O)c3ccccc3)cc2C1 217418938 OAZYICMPTLMFOS-FQEVSTJZSA-N 334.423 2.684 70 50 EFIA CSc1nc(C(=O)N(C)Cc2nc(-c3ccncc3)no2)cs1 218251767 OVAPXNPTSGEAKG-UHFFFAOYSA-N 347.425 2.582 70 50 EFIA Cc1cc(C(=O)N2CCC(OCc3ccccn3)CC2)c(C)n1C 218316872 LMTLAAMZOZFPFL-UHFFFAOYSA-N 327.428 2.858 70 50 EFIA OCc1cc2n(n1)CCN(Cc1ccc(OC3CCCC3)cc1)C2 217060258 XFXOPKZACXRAIC-UHFFFAOYSA-N 327.428 2.713 70 50 EFIA Cn1ccnc1CNC(=O)c1ccccc1OCCc1ccccc1 217179515 GLOGHGXEKRJLOG-UHFFFAOYSA-N 335.407 2.972 70 50 EFIA O=C(CCc1cccnc1)N1CCC[C@H](OCc2ccccn2)C1 218050267 VEXAOZAPKRIFNP-SFHVURJKSA-N 325.412 2.617 70 50 EFIA O=S(=O)(F)[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 1776003522 VPURHDSRXRVLOW-ZETCQYMHSA-N 332.706 2.632 70 50 EFIA COCc1ccccc1C(=O)N[C@H]1CCN(c2ccccc2OC)C1 161179062 UPLHUMOLWFQPMF-INIZCTEOSA-N 340.423 2.850 70 50 EFIA COc1ccc(NC(=O)c2ccccc2)cc1S(=O)(=O)Cl 95698381 VAUJRQAIEKQWGV-UHFFFAOYSA-N 325.773 2.875 70 50 EFIA CN(C)C[C@@H](c1ccc(OS(=O)(=O)F)cc1)C1(O)CCCCC1 1875375846 PNCOFIPYEJNSJQ-HNNXBMFYSA-N 345.436 2.620 70 50 EFIA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C(C)=O)c(O)c1 217885447 KFIXLZPWEOHSLH-QGZVFWFLSA-N 343.335 2.893 70 50 EFIA biogenic COC(=O)[C@H](CCSC)NC(=O)CCn1ccc2c(C)cccc21 217801066 JNLDVCVYYOURSN-HNNXBMFYSA-N 348.468 2.751 70 50 EFIA biogenic CCC[C@@H]1Nc2cccc[n+]2[B-](c2ccccc2)(c2ccccc2)O1 195789744 YUQXDEMPCLIIDM-OAQYLSRUSA-N 330.240 2.647 70 50 EFIA C[C@H](Oc1cccc(F)c1)C(=O)Nc1cccc(S(=O)(=O)F)c1 170597708 JDANLKMKFMGQQF-JTQLQIEISA-N 341.335 2.890 70 50 EFIA CCN(CC)C(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161171211 ZEPFDDBDHLXOQY-LSDHHAIUSA-N 344.377 2.682 70 50 EFIA COC(=O)C[C@H](c1cccc(O)c1)c1c(O)c2ccccc2oc1=O 217608078 HRVZLIHRIGJUET-CQSZACIVSA-N 340.331 2.899 70 50 EFIA biogenic C[C@H]1CSc2ccccc2N(C(=O)c2ccc(C(N)=O)cn2)C1 159632835 OEHJXCVQTGZNMO-LLVKDONJSA-N 327.409 2.569 70 50 EFIA CC[C@@H](NC(=O)c1c(C)[nH]c(C(C)=O)c1C)c1cn2cccnc2n1 217448615 IDTGLGSVVOAQRE-CYBMUJFWSA-N 339.399 2.758 70 50 EFIA O=C(CCOC1CCOCC1)N[C@H]1CCOC2(CCCCC2)C1 160360158 QOUPFFSQTWKUGD-HNNXBMFYSA-N 325.449 2.570 70 50 EFIA O=C(CCCNc1ncccn1)NCCn1ccc2ccc(F)cc21 218406750 IQDFABAZSUOSEZ-UHFFFAOYSA-N 341.390 2.579 70 50 EFIA Cc1n[nH]c(C)c1CCN(C)C(=O)CCC(=O)NC1CCCCCC1 216961453 UEFKPTNTGDFZOK-UHFFFAOYSA-N 348.491 2.647 70 50 EFIA CNC[C@@H]1CCCN1C(=O)CCc1ccccc1OC(F)(F)F 161319532 HKVILDUDKUAJMM-ZDUSSCGKSA-N 330.350 2.728 70 50 EFIA Cc1nn(CCC(=O)NCCc2nc3c(s2)CCC3)c(C)c1C 218561930 BWZSJTOIRABWEQ-UHFFFAOYSA-N 332.473 2.503 70 50 EFIA CC(C)(C)OC(=O)N[C@H]1CC=C(OS(=O)(=O)C(F)(F)F)CC1 100094406 SEHNWAWVQGNEKM-QMMMGPOBSA-N 345.339 2.814 70 50 EFIA CCS(=O)(=O)c1ccc([C@H](C)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1 159838030 PFWALZPAKUIDHR-OFQRWUPVSA-N 336.501 2.756 70 50 EFIA CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(C(N)=O)cc1)CCC2 161004368 GWQWBMUQOKPAGN-CQSZACIVSA-N 343.452 2.954 70 50 EFIA C[C@@H]1CN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC(C)(C)O1 160400167 OLPKJURODGNRKT-CZUORRHYSA-N 334.416 2.886 70 50 EFIA O=C(c1ccc(OS(=O)(=O)F)cc1)N1CCc2sccc2C1 1875368368 LYZJOAPLDLJJLU-UHFFFAOYSA-N 341.385 2.540 70 50 EFIA COc1ccc(CNC(=O)CC2(n3cccc3)CCOCC2)cc1 218122257 JOOUDUPOCFYTOV-UHFFFAOYSA-N 328.412 2.709 70 50 EFIA Cc1cc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)on1 217942744 KOEVVVDIQIXYND-IBGZPJMESA-N 338.411 2.667 70 50 EFIA O=C(CCc1cc(Cl)no1)NCC[C@@H]1COc2ccccc2O1 217568288 NKPOUWGHJGNZNS-GFCCVEGCSA-N 336.775 2.607 70 50 EFIA O=C(CO[C@@H](c1ccccc1)C(F)(F)F)N1CCc2n[nH]cc2C1 217176378 FMNRUSMVBSHLTD-HNNXBMFYSA-N 339.317 2.615 70 50 EFIA O=C1C[C@@H](NC(=O)Cn2ccnc2-c2ccccc2)c2ccccc2N1 218715509 RKKQBSPEWIJBRK-QGZVFWFLSA-N 346.390 2.750 70 50 EFIA Cc1ccc(C(=O)N2CCCO[C@@H](CN3CCCCC3)C2)c(F)c1 217989074 NHMQNTAWZQOKDH-INIZCTEOSA-N 334.435 2.851 70 50 EFIA Cc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)o1 218594132 GJIWDXIQYSRPFB-KRWDZBQOSA-N 332.444 2.818 70 50 EFIA O=C(Cn1cc(-c2ccccc2)ncc1=O)NC1CCCCCC1 218402914 YUVJQXMSNHPWQO-UHFFFAOYSA-N 325.412 2.749 70 50 EFIA Cn1c([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)nc2ccccc21 218563876 TWNVSGHQKBFDEF-INIZCTEOSA-N 335.411 2.762 70 50 EFIA Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Cl 100149752 UCXZCJWAYWXWPA-UHFFFAOYSA-N 338.816 2.552 70 50 EFIA Cn1ccc2cc(NC(=O)Cn3cnc4sccc4c3=O)ccc21 218260189 XJZVDBGTOYKTSB-UHFFFAOYSA-N 338.392 2.588 70 50 EFIA CN(Cc1n[nH]c2c1CCC2)C(=O)c1cc(-c2cccs2)nn1C 218090235 GVXCDZZOGPWMIH-UHFFFAOYSA-N 341.440 2.633 70 50 EFIA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(C(C)=O)c(O)c1 217885362 KFIXLZPWEOHSLH-KRWDZBQOSA-N 343.335 2.893 70 50 EFIA biogenic Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385492 UQUHVYURBYDOFW-QMMMGPOBSA-N 342.348 2.627 70 50 EFIA Cc1noc(COCC(=O)N2C[C@@H](C)CSc3ccccc32)n1 159677962 GVLJQJSMECHTLE-LLVKDONJSA-N 333.413 2.670 70 50 EFIA COc1cccc(F)c1C(=O)N1CCN(C)[C@@H](c2ccccc2)C1 217064360 QAMLSYAFUNJHDK-MRXNPFEDSA-N 328.387 2.963 70 50 EFIA O[C@H](c1ccccc1)c1cc2n(n1)CCN(Cc1cncn1C1CC1)C2 217112828 YKCYUEQENXZAQH-HXUWFJFHSA-N 349.438 2.512 70 50 EFIA CCCCc1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)[nH]n1 159950586 CBGDPPFOBDATKX-UHFFFAOYSA-N 345.428 2.739 70 50 EFIA Cc1oncc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 216930048 MZFNPIVEMQLRTN-SJORKVTESA-N 325.412 2.720 70 50 EFIA Cc1cccc(CN(CCS(=O)(=O)F)Cc2cc(C)no2)c1 1875382919 XDVMDDCQVGMSHI-UHFFFAOYSA-N 326.393 2.593 70 50 EFIA Cc1cc(CN(C)C(=O)CCSc2ccc3c(c2)OCCO3)on1 217135532 GLXAYGBSNFINMD-UHFFFAOYSA-N 348.424 2.895 70 50 EFIA CN1CCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)c2ccccc21 864240232 XLLINDQJRPMFOP-UHFFFAOYSA-N 348.399 2.832 70 50 EFIA Cc1cc(NC(=O)Cn2nc(C3CC3)nc2C2CC2)n(C(C)(C)C)n1 161448599 DZKZWURMTUBVLG-UHFFFAOYSA-N 342.447 2.932 70 50 EFIA C[C@H](CC(=O)Nc1ccc(OS(=O)(=O)F)cc1)c1ccncc1 1875385202 OIJFUVREDMVTAY-LLVKDONJSA-N 338.360 2.807 70 50 EFIA COc1ccc2[nH]c(C(=O)N3CCC[C@H]3c3nc(C)n[nH]3)cc2c1 216969422 ZJLYTQGLNHMPGO-HNNXBMFYSA-N 325.372 2.580 70 50 EFIA COc1ccc(-c2coc3ccc(OCC(N)=O)cc23)cc1OC 217783256 BQQZKOCFPLMBNQ-UHFFFAOYSA-N 327.336 2.981 70 50 EFIA biogenic COCCOCCOCCOCCC[Si](Cl)(Cl)Cl 216666515 ODPFZNKFZKODEL-UHFFFAOYSA-N 339.719 2.728 70 50 EFIA Cn1ccc([C@H](NC(=O)c2cccc(-c3ncn[nH]3)c2)C(F)(F)F)c1 159566573 KCGMXJAJOFEYSF-ZDUSSCGKSA-N 349.316 2.844 70 50 EFIA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)CSc1ccc(Cl)cc1)C2 218555828 BHMUSLTUIGCXRF-YPMHNXCESA-N 338.860 2.559 70 50 EFIA CC(C)c1cc([C@@H]2CCCN2C(=O)CN(C)Cc2cccnc2)no1 218000668 IAMCPEJTEMXQDE-KRWDZBQOSA-N 342.443 2.989 70 50 EFIA FC(F)(F)c1ccc(N2CCC(N[C@@H]3C[C@@H]4OCC[C@@H]43)CC2)nc1 217194515 YFCJJKCCWDDEQZ-KFWWJZLASA-N 341.377 2.836 70 50 EFIA O=C(NCCc1nccc(-c2ccccc2)n1)c1ccn(C(F)F)n1 218334324 NARXKKVLQVGKCX-UHFFFAOYSA-N 343.337 2.708 70 50 EFIA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N(C)Cc1cc[nH]n1)O2 217765692 RVKWQUMEADPXKG-LJQANCHMSA-N 343.427 2.783 70 50 EFIA NCC(=O)NCc1ccc(Br)cc1Oc1ccccc1 161088796 ZIKLPDBYIBWYLJ-UHFFFAOYSA-N 335.201 2.816 70 50 EFIA CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@@H](C(C)C)CC2)c1CC 160495138 OIBQLJBDUOEUNI-CQSZACIVSA-N 348.491 2.862 70 50 EFIA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccn(C(F)F)n1 218501396 YCOGOZXYERPTQA-SNVBAGLBSA-N 337.326 2.883 70 50 EFIA CCO[C@H]1CN(C(=O)CCc2ccc(-c3ccccc3)cc2)C[C@@H]1O 218266326 URXPJJSTYAOAQJ-PMACEKPBSA-N 339.435 2.894 70 50 EFIA CC(C)CC(=O)NCCC(=O)N1CCC[C@H]1Cc1cccc(F)c1 160987157 SUPKAAIWJFMTLW-KRWDZBQOSA-N 334.435 2.912 70 50 EFIA CN(C)c1ccc(C(=O)NC[C@@H]2C[C@@]23CCCc2ccccc23)nn1 159564636 FJAWKRCFNRBLPJ-YWZLYKJASA-N 336.439 2.567 70 50 EFIA COc1cc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc2c1OCO2 217721952 SEFPHEUEPMVSHD-JTQLQIEISA-N 342.303 2.594 70 50 EFIA biogenic CC[C@@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1ccnn1C 218133455 KYYPCYVMLRRTAT-GOSISDBHSA-N 340.471 2.867 70 50 EFIA C[C@@H](Cc1cccnc1)NC(=O)CCC(=O)N(C)C1CCCCC1 217154243 UGAUQOIDLRHOLY-HNNXBMFYSA-N 331.460 2.700 70 50 EFIA C[C@@H](CC(=O)Nc1ccc(OS(=O)(=O)F)cc1)c1ccncc1 1875385203 OIJFUVREDMVTAY-NSHDSACASA-N 338.360 2.807 70 50 EFIA Cc1ccc2[nH]c([C@@H](NC(=O)c3cnc(N)nc3C)C(C)C)nc2c1 217637016 JIOSPNOBHDGKLL-HNNXBMFYSA-N 338.415 2.679 70 50 EFIA O=C(CC1C[C@@H]2CC[C@H](C1)N2)Nc1ccc(O[C@@H]2CCOC2)cc1 160449912 BJFLPEQJYSRQQI-NPVYPNSJSA-N 330.428 2.714 70 50 EFIA CN(c1nc(CN2CCCc3cc(C(N)=O)ccc32)cs1)C1CC1 160843785 ZGIIAQGQGWHOCL-UHFFFAOYSA-N 342.468 2.793 70 50 EFIA O=C(Cc1ccc(F)cc1Cl)NCc1noc([C@H]2CCCO2)n1 218764726 WDQSAVDPXWWMID-GFCCVEGCSA-N 339.754 2.573 70 50 EFIA CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(F)cc12)c1nccn1C 218429094 KHHXFTVIPWGINY-MRXNPFEDSA-N 342.374 2.528 70 50 EFIA Cc1n[nH]c(C)c1CCCNC(=O)CCC(=O)c1ccc(F)cc1 218292559 CKVKKAUOWSLCGZ-UHFFFAOYSA-N 331.391 2.878 70 50 EFIA Cc1nc(-c2ccc(CNC(=O)[C@H]3Cc4ccccc4O3)cc2)no1 218416310 HOJXSOZJJWRCRG-QGZVFWFLSA-N 335.363 2.665 70 50 EFIA O=C(c1ccc(SCCO)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 218293405 DHXSWKUIZVTPEJ-YJBOKZPZSA-N 335.469 2.538 70 50 EFIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1C 218276524 PODXNCTYBYERPZ-MYPMTAMASA-N 343.345 2.794 70 50 EFIA Cc1cc(=O)cc(C(=O)NCc2cc(-c3ccc(F)cc3)no2)o1 218213224 QTBYGZBHVNDXTN-UHFFFAOYSA-N 328.299 2.672 70 50 EFIA CC(C)(C)C(=O)N1CCC(CN[C@]2(CO)CCc3ccccc32)CC1 160898009 SMOIIICRRVAXRV-NRFANRHFSA-N 344.499 2.695 70 50 EFIA CN(Cc1ccco1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 159430516 NAYSIWNKEOGAOY-LBPRGKRZSA-N 334.807 2.748 70 50 EFIA Cc1cc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)c(C)nc1C 1875385695 ZEYMOSANKQQFOH-UHFFFAOYSA-N 338.360 2.852 70 50 EFIA CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1C(Cl)(Cl)S(=O)(=O)F 2325904029 HBFLXOYIPZUJGG-RNFRBKRXSA-N 336.212 2.720 70 50 EFIA COc1cc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)ccc1O 217664024 GALRIPVKEIWQEZ-LBPRGKRZSA-N 328.320 2.750 70 50 EFIA biogenic COc1cc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)ccc1O 217664111 GALRIPVKEIWQEZ-GFCCVEGCSA-N 328.320 2.750 70 50 EFIA biogenic CN(C)[C@@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1F 217672658 PLFGYGWDVMOIQD-QGZVFWFLSA-N 330.407 2.558 70 50 EFIA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccc(F)cc1Cl 218239489 GXPIDPLBVIFKCS-CABCVRRESA-N 327.783 2.793 70 50 EFIA C[C@H]1CN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC(C)(C)O1 160400296 OLPKJURODGNRKT-XJKSGUPXSA-N 334.416 2.886 70 50 EFIA Cc1ccccc1-c1cccc(C(=O)NCCN2CCC(O)CC2)c1 218369209 YLBINIZEOHAWAC-UHFFFAOYSA-N 338.451 2.849 70 50 EFIA O=C(CSc1ccccc1)N[C@H]1CC[C@@H](C(=O)NC2CCC2)C1 216651140 RXBSQTQXGCOFQV-HIFRSBDPSA-N 332.469 2.732 70 50 EFIA O=C(c1scc2c1CCCC2)N1CCCN(c2ncccn2)CC1 218169955 TXRVZCGMPDNOKF-UHFFFAOYSA-N 342.468 2.769 70 50 EFIA CNC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 161316563 LLYRKOBWKRPGFX-RRFJBIMHSA-N 337.261 2.763 70 50 EFIA CC(=O)c1c(C)nn(CC(=O)N2CCCC[C@@H]2c2ccccn2)c1C 216909355 VTGAJFDRMJJRGS-QGZVFWFLSA-N 340.427 2.851 70 50 EFIA O=C(CCn1cncn1)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 218301057 XXSNCNKKOHGZOV-KRWDZBQOSA-N 341.802 2.622 70 50 EFIA COc1ccccc1C1(CNC(=O)C2(O)CCSCC2)CCCC1 161345158 NPISZQFGGZGYHE-UHFFFAOYSA-N 349.496 2.881 70 50 EFIA Cc1cc2cc(CNC(=O)c3ccc(N(C)CCO)cc3)ccc2[nH]1 216994212 MVAUCGZSZKSUCC-UHFFFAOYSA-N 337.423 2.835 70 50 EFIA C[C@H]1CN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC(C)(C)O1 160400556 OLPKJURODGNRKT-BBRMVZONSA-N 334.416 2.886 70 50 EFIA Cc1c(O)cccc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 216881221 QNOLPFFVWIUIGS-CVEARBPZSA-N 342.439 2.564 70 50 EFIA COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 8689804 NTNUDYROPUKXNA-UHFFFAOYSA-N 334.355 2.956 70 50 EFIA in-vitro O=C(NCc1cccnc1)Nc1ccnn1Cc1ccccc1F 160554789 IXFKWWRHDZGCRI-UHFFFAOYSA-N 325.347 2.787 70 50 EFIA Cc1noc(CNC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)n1 159493083 GUOKYFUMDVGWAQ-UHFFFAOYSA-N 334.424 2.949 70 50 EFIA O=C(CO[C@H](c1ccccc1)C(F)(F)F)N1CCc2n[nH]cc2C1 217176386 FMNRUSMVBSHLTD-OAHLLOKOSA-N 339.317 2.615 70 50 EFIA O=C(NCCc1cc2ccccc2[nH]1)[C@H]1CC(=O)N(C2CCCC2)C1 159504715 RYIWPYUTPXTCRD-HNNXBMFYSA-N 339.439 2.618 70 50 EFIA CC(C)Cc1cc(C(=O)N2CCC(c3ccncc3)CC2)nc(N)n1 217338012 JJYIVVLNQXRXEW-UHFFFAOYSA-N 339.443 2.672 70 50 EFIA O=C(CCn1cncn1)N[C@H](c1ccc(Cl)cc1)c1cccnc1 218301111 XXSNCNKKOHGZOV-QGZVFWFLSA-N 341.802 2.622 70 50 EFIA Cc1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc(C)c1F 160482143 PMWONFNKDUSMRO-HNNXBMFYSA-N 328.391 2.631 70 50 EFIA COCCn1c([C@H](C)NC(=O)c2c(C)noc2C)nc2ccccc21 218282464 DAXKOLKRJIKPCN-LBPRGKRZSA-N 342.399 2.779 70 50 EFIA COCC[C@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CCO1 218481247 MCJRXVAPZJMYOW-AWEZNQCLSA-N 331.334 2.512 70 50 EFIA CC(C)Cc1nc2ccccc2n1[C@@H](C)C(=O)NCCc1cn[nH]c1 216964738 SKPQCBXPBXZQMX-AWEZNQCLSA-N 339.443 2.878 70 50 EFIA Cn1cc([C@H](NC(=O)c2csc3c2CCCC3)C2CC(O)C2)cn1 218406988 XOJVKWLUDYXAOD-FWXSHLFISA-N 345.468 2.602 70 50 EFIA CCc1nc2cc(NC(=O)N3CCC[C@@H](CC(N)=O)C3)ccc2o1 160485559 ZHLLJIJCXUOECJ-NSHDSACASA-N 330.388 2.510 70 50 EFIA CC[C@@H](NS(=O)(=O)c1cc(C)c(F)cc1Cl)C1CC(O)C1 218299968 BBHRCBCNMZQUAX-SRHKJQAYSA-N 335.828 2.615 70 50 EFIA COc1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)c(OC)c1 217730761 KNAUAECIKJZIBT-GFCCVEGCSA-N 328.320 2.874 70 50 EFIA biogenic CCOc1cc2c(cc1CN1CCCn3nc(CO)cc3C1)CCC2 217557394 OZTKVGFIYPULDM-UHFFFAOYSA-N 341.455 2.669 70 50 EFIA Cc1nn(C)c2c1C(=O)/C(=C/c1cccc(S(=O)(=O)F)c1)CC2 1875381232 OCMDVCYVAOUULI-XYOKQWHBSA-N 334.372 2.599 70 50 EFIA Cc1nnc(CN(C)C(=O)CO[C@@H](c2ccccc2)C(F)(F)F)o1 217023706 NQKKESZHQXQEGL-AWEZNQCLSA-N 343.305 2.657 70 50 EFIA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1coc2ccccc12 218528686 FFKLDTGTJSQWHH-NVXWUHKLSA-N 338.363 2.794 70 50 EFIA Cc1cccc(N2CCC(NC(=O)COc3cccnc3)CC2)c1 218054729 SPSQWFZGCSBSLP-UHFFFAOYSA-N 325.412 2.554 70 50 EFIA CN(C)C1(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)CCOCC1 218476167 ONYLKSBDWDMFSB-UHFFFAOYSA-N 335.835 2.662 70 50 EFIA O=C(CCc1ccc(F)c(F)c1)NCCc1noc(C(F)(F)F)n1 217894077 MWFJSYUJMZHKGJ-UHFFFAOYSA-N 349.259 2.658 70 50 EFIA Cc1cscc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1 460093447 PKCAGUPANMCECW-UHFFFAOYSA-N 335.403 2.516 70 50 EFIA CCc1noc(C)c1CSCCNS(=O)(=O)c1ccccc1 160014230 RYOGLQJARSIOGE-UHFFFAOYSA-N 340.470 2.757 70 50 EFIA CC(C)c1nc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)n[nH]1 218320949 QKQKAPWTGDACMK-UHFFFAOYSA-N 338.371 2.505 70 50 EFIA O=S(=O)(F)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 1875368542 ZPDYWUVOTCGAQW-LBPRGKRZSA-N 345.440 2.976 70 50 EFIA CCOC(=O)c1cc(S(=O)(=O)Cl)cc(Br)c1C 115160711 GNIMCQYKRSWDOK-UHFFFAOYSA-N 341.610 2.862 70 50 EFIA in-vitro O=C(CCc1cc(Cl)no1)NCC[C@H]1COc2ccccc2O1 217568386 NKPOUWGHJGNZNS-LBPRGKRZSA-N 336.775 2.607 70 50 EFIA