smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCOc1c(C(=O)c2c(F)cc(F)cc2F)cnc2[nH]ncc12 3922890 HEFHQIBQGOCQAF-UHFFFAOYSA-N 349.312 3.785 0 1 EHAF CCc1cc(NCc2nc3c(F)ccc(Cl)c3o2)c(=O)[nH]c1C 5887337 JIXOGQNMWSOKEX-UHFFFAOYSA-N 335.766 3.792 0 1 EHAF C[C@@]12CC[C@H]3c4ccc(OCC(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O 13099024 XSDCLHQDGODZPZ-PFRQMTDMSA-N 328.408 3.575 0 1 EHAF CCCCCOC[C@@H](CO[P@](=O)(O)OC)OCCCCC 13760004 FAPLIUDWFWTHIL-AWEZNQCLSA-N 326.370 3.532 0 1 EHAF CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(C=O)cc2)cc1 13835084 ROWZLJVYZYQWLP-HNNXBMFYSA-N 345.464 3.597 0 1 EHAF CC[C@@]12C=CCN3CCc4c(n(c5ccccc45)C(C(=O)OC)=C1)[C@@H]32 14829312 ZOOBFVQMUFLESF-TZIWHRDSSA-N 334.419 3.534 0 1 EHAF biogenic CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 21289044 SOVBDLAXFPZPCR-UHFFFAOYSA-N 330.189 3.573 0 1 EHAF CC(=O)N1c2ccccc2S[C@H]1c1ccc(OCCN(C)C)cc1 28015458 PJGSERJMYIARGY-IBGZPJMESA-N 342.464 3.784 0 1 EHAF CCCS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28218567 DKSVOTNAJVABEZ-UHFFFAOYSA-N 326.421 3.927 0 1 EHAF COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1 28222346 GOCKTVHEDRVDCD-UHFFFAOYSA-N 333.363 3.882 0 1 EHAF C=Cc1c(C)c(O)cc2c1CC[C@@H](C(C)(C)C(=O)O)[C@@]2(C)CC(=O)O 29042353 FJZVRPIMSAZTOY-JXFKEZNVSA-N 346.423 3.749 0 1 EHAF biogenic CC(C)C(=O)CC[C@@]1(C)CCc2c(c3ccccc3n(C)c2=O)O1 40897196 JEYMMXXYHADRSB-HXUWFJFHSA-N 327.424 3.628 0 1 EHAF biogenic C1=N/c2ncccc2OCCOc2cccnc2/N=C/c2ccccc2/1 43078500 HDDXUMSQLAFKEY-RNIAWFEPSA-N 344.374 3.749 0 1 EHAF CCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 64528166 JZILHTVAQVRMBM-UHFFFAOYSA-N 337.305 3.879 0 1 EHAF COCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccco2)n1 82165360 XTXQEHFFSOLGJT-UHFFFAOYSA-N 344.440 3.925 0 1 EHAF Cc1cccc(NC(=O)c2ccccc2Cn2ccc3ncnc-3c2)c1 100062168 YUIZUBRPNKCUBP-UHFFFAOYSA-N 342.402 3.992 0 1 EHAF CC(=O)C[C@H]1c2ccccc2N=C(n2cncn2)N1c1cccc(C)c1 103176734 MWGXAQNORNQJLH-IBGZPJMESA-N 345.406 3.663 0 1 EHAF CC1=C(/C=C/C(C)=C/CNC(=O)/C=C2/CC(=O)N2)C(C)(C)CCC1 103287356 XVQBUQSKYPSSRR-VPOOKMCVSA-N 328.456 3.536 0 1 EHAF CO[C@H](C(=O)Nc1ccc([C@H]2CCNC2)cc1)c1ccc(Cl)cc1 117721688 GOVLTNJMPDLEMK-YJBOKZPZSA-N 344.842 3.743 0 1 EHAF COC(=O)C1=C[C@]2(c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 169339398 VQRFUQBWZBYASP-QKGISBSXSA-N 328.383 3.706 0 1 EHAF CCOC(=O)Cc1ccc2nc(-c3sc(C4CC4)nc3C)[nH]c2c1 587011769 KDTCECSDPRKSQT-UHFFFAOYSA-N 341.436 3.978 0 1 EHAF Nc1ccc(C(=O)CCc2nc3cccc(Br)c3[nH]2)cc1 587251188 BFKBEXUSZJNCSD-UHFFFAOYSA-N 344.212 3.723 0 1 EHAF CN(C)/C=C/[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337672 OIPNVVBHPHUDNG-ZDPBIUCKSA-N 341.382 3.724 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3nccc-3c1Cl)O2 587380616 WTHIJGGRNBTUMJ-AWEZNQCLSA-N 327.771 3.765 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(C)ccc1-n1cccn1)[C@@H](C2)C3=O 587432521 PZPIDNMCJAWIPS-HRAATJIYSA-N 346.386 3.678 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc(C)c(OC)c(C)c1)[C@@H](C2)C3=O 587445408 YRBLWGHRXYVKOX-HRAATJIYSA-N 338.403 3.983 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](C1CCN(C(C)C)CC1)CC2=O 587474871 KOPPADPIQXMABR-LJQANCHMSA-N 331.456 3.799 0 1 EHAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC3C[C@H]1CC(O)(C3)C2 587477241 FCHZRPLBDMMDLR-LDWLXWJISA-N 342.435 3.620 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cn(C)nc1C)CC2=O 587477823 VHRTXQXAHQOVKQ-LJQANCHMSA-N 328.412 3.657 0 1 EHAF Cc1nn(C)c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 587513508 AVKACWJGDYVZFS-LJQANCHMSA-N 347.418 3.862 0 1 EHAF O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587604786 YNFWTTHQXMBPLO-NQIIRXRSSA-N 346.338 3.908 0 1 EHAF C[C@]1(C[C@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616242 JJOSGWYAAQTDDQ-ASUYLVSUSA-N 340.375 3.682 0 1 EHAF O=C(c1ccco1)c1c(-c2ccccn2)[nH]c2c(C(=O)O)cccc12 587638200 CJZNKNVDPJKPSD-UHFFFAOYSA-N 332.315 3.752 0 1 EHAF CC(C)OC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797387 WRELAIXNZCPMDT-MEBBXXQBSA-N 330.241 3.763 0 1 EHAF COc1ccc([C@@H](O)[C@H](C)c2nc3cnc4ccccc4c3[nH]2)cc1 587934288 BUMFJHVSGABFDR-BUXKBTBVSA-N 333.391 3.957 0 1 EHAF Cc1ccc2c([C@@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)cn(C)c2c1 963015324 ARKQXZMUOJDTRT-JLCFBVMHSA-N 345.446 3.629 0 1 EHAF COc1ccc2c3ccnc(C)c3n(CCCCN(C)C(C)=O)c2c1 1857540799 WFQBECGHLLVUBQ-UHFFFAOYSA-N 339.439 3.765 0 1 EHAF CC(=O)O[C@@H](C=Cc1ccccc1)C[C@H](O)CCc1ccc(O)cc1 2356599050 MAQHCBOMAHBYCF-RTWAWAEBSA-N 340.419 3.721 0 1 EHAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@H](C)[C@@]12C 2356748119 WGFFJGFLKWMSGK-BKGYHILQSA-N 346.423 3.748 0 1 EHAF CC(=O)c1ccccc1N[C@@H](C(N)=O)c1c(Cl)cccc1Cl 3832011 KJBHPOYDJIZPJP-OAHLLOKOSA-N 337.206 3.835 0 1 EHAF CN1CC[C@H](c2ccc(Cl)cc2)[C@H](C(=O)Oc2ccccc2)C1 26828512 IKQCRXDMGMJMFY-QZTJIDSGSA-N 329.827 3.981 0 1 EHAF CC(C)Nc1nc(-c2ccc(C(C)C)cc2)cc2ncn(C)c(=O)c12 115136562 NONKIOFRADZBLA-UHFFFAOYSA-N 336.439 3.939 0 1 EHAF Oc1ccc2c3c1O[C@H]1CCC[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 26667029 RKZRSIDXFGRAGY-KALAIVBUSA-N 325.452 3.622 0 1 EHAF CC1(C)C(Br)=C[C@@H](O)[C@@]2(C)O[C@@H]3C[C@@]12CC[C@]3(C)Cl 2356585121 DQGHGRXDZHRTFQ-NXRJPMIISA-N 349.696 3.991 0 1 EHAF Cc1ccnc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)n1 33493260 WYTXWFUOXKQOQS-CYBMUJFWSA-N 340.235 3.870 0 1 EHAF CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 35846154 FFWMVMYKTQEBAE-NSHDSACASA-N 349.689 3.993 0 1 EHAF Cc1cc2c(s1)c1cnn(Cc3ccc(F)cc3F)c(=O)c1n2C 36380272 WPYJTJIDVZJTNR-UHFFFAOYSA-N 345.374 3.585 0 3 EHAF CC(C)N1CCCC[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C1=O 199719684 IGNRGTDSVMBDMP-CQSZACIVSA-N 343.254 3.513 0 3 EHAF CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCCCC1 95567315 CJTPVDICPXUYHY-GOSISDBHSA-N 339.443 3.795 0 3 EHAF C[C@H](C(=O)N[C@H]1COc2ncccc21)c1ccc(Cl)cc1Cl 146518693 WJPNUTYLRJIVMN-XPTSAGLGSA-N 337.206 3.742 0 1 EHAF COC(=O)[C@@]1(O)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@@H]21 238736088 OUXSWZRXEDQYNX-DFQSSKMNSA-N 328.408 3.649 0 1 EHAF Cc1cnn(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587103985 CZBZESUTNRGXIY-UHFFFAOYSA-N 325.371 3.999 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C)NC(=O)OC(C)(C)C)CC2=O 587471897 WSEKGFVDVAGVMW-BZNIZROVSA-N 349.427 3.592 0 1 EHAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C 587579568 UUXXZDVFCPMZIZ-PXNSSMCTSA-N 335.359 3.742 0 1 EHAF Cc1coc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587776984 ZSMFIGDFLMQHMI-VXJOIVPMSA-N 339.208 3.682 0 1 EHAF O=C(O)C[C@@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989710 CRUKOMQEYYJTOU-JTQLQIEISA-N 345.354 3.656 0 1 EHAF Cn1cnc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cnc21 587515324 KKTJTTAYJLMRBC-OAQYLSRUSA-N 347.418 3.728 0 1 EHAF CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587517095 GWFIOKGJWWJKGU-UHFFFAOYSA-N 343.423 3.520 0 1 EHAF COc1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)cn1 587863323 YFYXUDYICIEEPX-UHFFFAOYSA-N 349.312 3.970 0 1 EHAF COc1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006995 UGDNESLBKQHPHG-UHFFFAOYSA-N 343.184 3.649 0 1 EHAF Nc1ccc(C(=O)CCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 587251450 HQDYVMCVIHDLJY-UHFFFAOYSA-N 349.312 3.859 0 1 EHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(C(C)=O)ccc3[nH]2)cc1 587785868 PFQYYKATWOMYMF-HZPDHXFCSA-N 334.375 3.709 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CCCOC2)N1 587835547 PLTZWJFMRWOSDT-BJOHPYRUSA-N 326.209 3.510 0 1 EHAF CC(C)O[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587598895 CCQXWDUYEKPDFJ-FUHIMQAGSA-N 340.375 3.680 0 1 EHAF COc1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2cc1F 587166756 IJLMKTQAGPDRKV-VOTSOKGWSA-N 329.306 3.502 0 1 EHAF CC(=O)C[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O 957605595 IJLKMWOHASEYKD-DOTOQJQBSA-N 342.778 3.821 0 1 EHAF O=COCCCCCCCCCCOC(=O)c1ccc(O)cc1O 1772611708 PYVQXDMYORKPKC-UHFFFAOYSA-N 338.400 3.548 0 1 EHAF CC1(C)C[C@]2(CC(C)(C)c3ccc(O)c(N)c32)c2cc(O)c(N)cc21 5835876 QCGQCLFKQHHRBH-OAQYLSRUSA-N 338.451 3.911 0 1 EHAF Cc1nc(C(=O)N[C@H]2[C@@H]3C[C@@H]4C[C@H](C3)C[C@@H]42)c(C)n1-c1ccccc1 169362395 LNFIGJSRRJNZFD-MHUJFGSKSA-N 335.451 3.654 0 1 EHAF CCCOc1ccc(-n2c(O)c3c(c2O)[C@]2(C)C=C[C@]3(C)O2)cc1 169690172 IGUPVQGYCXDAGE-OALUTQOASA-N 327.380 3.708 0 1 EHAF CCOC(=O)[C@H]1C(=N)Oc2c(ccc3ccccc23)[C@@H]1c1cccnc1 169730681 VEYCPXZBGOTEJZ-ZWKOTPCHSA-N 346.386 3.916 0 1 EHAF Cc1onc(-c2ccccc2F)c1C(=O)NCc1ccccc1F 775361 YJRYBZFINRWKPQ-UHFFFAOYSA-N 328.318 3.858 0 1 EHAF COc1cc(/C=C/C(=O)O)ccc1Oc1ccc(/C=C/C(=O)O)cc1 14635113 LIDBMKQHEFEVDP-YOYBCKCWSA-N 340.331 3.683 0 1 EHAF CCOc1cc2c(cc1O)CC(=O)C[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 34512461 SOIPLRPHJHQQGL-PQSRSFJPSA-N 344.451 3.577 0 1 EHAF CN(C)C(=O)c1ccc2c(c1)Oc1ccccc1[C@@]2(O)c1ccccc1 45374218 JBCZJMCMKCHXDY-QFIPXVFZSA-N 345.398 3.778 0 1 EHAF O=C(COc1ccccc1Cl)Nc1nnc(-c2ccc(F)cc2)o1 66114606 XTUQXZBRFXLDTO-UHFFFAOYSA-N 347.733 3.547 0 1 EHAF CCNc1cccc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)n1 72120326 YVNDLPWNERWEJX-UHFFFAOYSA-N 326.429 3.592 0 1 EHAF CCOC(=O)c1nn(C(=O)c2ccc(Cl)cc2)c2ccccc12 72177529 BIZYXBMSPGMZAS-UHFFFAOYSA-N 328.755 3.555 0 1 EHAF CCOC(=O)/C=C/c1ccc(OCc2nc(C)c(C)nc2C)cc1 73138649 QYCIMTNIDKLHSQ-DHZHZOJOSA-N 326.396 3.557 0 1 EHAF COc1cc2nc(-c3cccc(N)c3C)sc2c(OC)c1OC 73257961 LFWSDFOMBMSJRD-UHFFFAOYSA-N 330.409 3.880 0 1 EHAF CC[C@@H]1CCCCN1c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 82231642 LSIJKDXLPVHZRZ-OAHLLOKOSA-N 334.423 3.754 0 1 EHAF CC(C)(C)OC(=O)N[C@H]1CC[C@@H](n2cnc3cnc4[nH]ccc4c32)C1 95580062 GAVWHEZXKOVIQY-NWDGAFQWSA-N 341.415 3.531 0 1 EHAF Cn1cnc2cc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)ccc21 96169284 WRVPROXVHBOOPT-ICSRJNTNSA-N 345.446 3.908 0 1 EHAF C[C@@H]1CC[C@H](NS(C)(=O)=O)CCCCCCCCCCC(=O)O1 103215441 SRCSWRHTEYOYIJ-HZPDHXFCSA-N 347.521 3.531 0 1 EHAF CC(C)(C)c1cc(NC(=O)/C(C#N)=N/Nc2cccc(Cl)c2)no1 148285252 FHWKWIFGFSRZFA-CIAFOILYSA-N 345.790 3.556 0 1 EHAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccsc3)cc1)N2 169345242 BFMOQGLGYMZXPC-XWTMOSNGSA-N 327.449 3.812 0 1 EHAF CCOC(=O)[C@H]1[C@@H](c2ccc3c(ccn3CC)c2)C[C@H]2CC[C@H]1N2C 253665691 CVPBQVINTITVFJ-LFGUQSLTSA-N 340.467 3.791 0 1 EHAF CC(=O)c1ccc(OCCCOCc2ccc3c(c2)OCO3)cc1 299840015 UQQCOUHBHJYQAG-UHFFFAOYSA-N 328.364 3.604 0 1 EHAF CCN1CCC[C@H]1CNc1cc(C)nc2c(-c3ccccc3)c(C)nn12 473165213 AFUJIFUZGGJAOI-SFHVURJKSA-N 349.482 3.909 0 1 EHAF CC1(C)c2nc3ccc(O)c4c3c(c2CC[C@@H]1O)-c1ccccc1C4=O 586989953 BCXZSAIGNMCNKR-INIZCTEOSA-N 345.398 3.737 0 1 EHAF Cc1nc2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2cc1Br 587090297 OQZZEZFAYRUCMP-QMMMGPOBSA-N 346.509 3.952 0 1 EHAF Cc1nccc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc12 587235229 IDMNGKPHKDNWKH-CHWSQXEVSA-N 330.432 3.817 0 1 EHAF CCc1ccccc1NC(=O)c1nc2ncc(C(F)(F)F)cc2[nH]1 587240960 MGMPMRXAOVMDTB-UHFFFAOYSA-N 334.301 3.791 0 1 EHAF N[C@@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1cccc2ccccc12 587258461 KMZYXIWJIZRWDP-OXJNMPFZSA-N 345.406 3.682 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3noc(C)n3)c1)O2 587396184 XKPSJCOPGBAMAT-KRWDZBQOSA-N 335.363 3.642 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1cccs1)O2 587412744 KRBRQZWYTJAFMZ-SFHVURJKSA-N 345.420 3.754 0 1 EHAF O=C1C[C@@H](c2cnn(CC(F)F)c2)Oc2c1ccc1c2CCCC1 587508974 USLZXFUMKIAKBR-INIZCTEOSA-N 332.350 3.734 0 1 EHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1 587786994 UAYYGOREBPCTDD-STQMWFEESA-N 328.318 3.785 0 1 EHAF O=C(COc1cccc(F)c1)n1nc2cc1Oc1ccc(F)cc1-2 587874006 RYQOFJHIYKOXQU-UHFFFAOYSA-N 328.274 3.653 0 1 EHAF O=C(CCc1ccccc1)c1nc2nc(Br)ccc2[nH]1 587953339 IBLSUZDYERNXNR-UHFFFAOYSA-N 330.185 3.536 0 1 EHAF O=C1CCC(c2ccccc2)(c2nc3cccc(C(=O)O)c3[nH]2)CC1 587971225 WKWUODDDJZIHAM-UHFFFAOYSA-N 334.375 3.690 0 1 EHAF COc1ccc2c(c1)[C@@H](c1ccc(C)nc1OC)N(C(C)C)CC2 962087484 FDRQZQSLXWVRSD-LJQANCHMSA-N 326.440 3.763 0 1 EHAF COc1cc2c(cc1OC)[C@@](CCC(=O)O)(C(C)(C)C)N(C)[C@@H](C)C2 962640009 YJLYEQBHYPCYID-RBZFPXEDSA-N 349.471 3.686 0 1 EHAF COc1ccc2c(c1OC)[C@](c1ccccn1)(C(C)C)N(C)[C@@H](C)C2 962642658 ZKVOXIXNBLGGTJ-YCRPNKLZSA-N 340.467 3.875 0 1 EHAF Fc1cc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)ccn1 962691661 AOSSEMMSSGMGRS-FZKQIMNGSA-N 332.419 3.813 0 1 EHAF COc1ccc2oc([C@@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)cc2c1 963039648 ZGIVOUMZLKRSDH-YEJXKQKISA-N 348.402 3.584 0 1 EHAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1ccc2snnc2c1 963095681 DHHCWICKSZZXNU-RDTXWAMCSA-N 325.412 3.940 0 1 EHAF COc1ccc(C=C2SC(=N)N(c3ccccc3OC)C2=O)cc1 1857600296 YBPABXGFEMOUTB-UHFFFAOYSA-N 340.404 3.759 0 1 EHAF C[C@@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCCCCC1 2356290158 KOCXCVAALIEWGX-GFCCVEGCSA-N 332.375 3.550 0 1 EHAF COc1cccc(/C=C2\C[C@@]3(OC(=O)c4ccco4)CCCN2C3)c1 96018946 RRZHCGKUYWESSH-PRDNPTHXSA-N 339.391 3.724 0 3 EHAF NS(=O)(=O)c1ccc(-c2cscc2-c2ccc(F)cc2)cc1 18714 QVNBSMZFDSBWNZ-UHFFFAOYSA-N 333.409 3.869 0 1 EHAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)N[C@@H]1CCCC[C@H]1O 775562 YIIBYBFYCXQKQH-CHWSQXEVSA-N 348.468 3.734 0 1 EHAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccccc3)nc21 5841942 POSQQJCPFZCRSB-UHFFFAOYSA-N 330.391 3.892 0 1 EHAF O[C@]1(Cc2ccc(Cl)cc2Cl)c2ccccc2C2=NCCCN21 34821437 QJKYNRVTOMYEGT-GOSISDBHSA-N 347.245 3.847 0 1 EHAF Cc1nc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)no1 35978560 GINNJZRPRVSARM-UHFFFAOYSA-N 326.381 3.517 0 1 EHAF CC(C)NC(=N)c1ccc2nc(NC(=O)c3ccccc3)sc2c1 40980455 BEKMRBQTPKOICE-UHFFFAOYSA-N 338.436 3.872 0 1 EHAF O=C1c2ccc(NCCN3CCCC3)cc2-c2nccc3cccc1c23 73311227 JRWKFHNYNRFFOO-UHFFFAOYSA-N 343.430 3.954 0 1 EHAF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccoc3)cc2)C[C@H]2CC[C@H]1N2C 101035237 KAVKUIYDILEQNP-FCGDIQPGSA-N 325.408 3.686 0 1 EHAF CNc1ccc(-c2ccc3c(c2)CNC[C@@H]3c2ccc(F)cc2)nn1 114505557 FBUHCPMYBAXIMM-GOSISDBHSA-N 334.398 3.560 0 1 EHAF Cc1nn(C(C)C)c2nc3ccccc3c(NCCCN(C)C)c12 169329696 VEPYQRBNQQIVHU-UHFFFAOYSA-N 325.460 3.837 0 1 EHAF O=C(Oc1ccccc1-n1c(O)c2c(c1O)CCCC2)c1ccccc1 169688174 OPUYVFLNBPAIDJ-UHFFFAOYSA-N 349.386 3.987 0 1 EHAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3cnccn3)c2F)cn1 224572123 HYJYIPKBTRAPJX-UHFFFAOYSA-N 337.358 3.715 0 1 EHAF C[C@H]1c2ccoc2C[C@@H]2[C@@H]1CC[C@H]1[C@@](CO)(C(=O)O)CCC[C@]21C 238770767 PGRQEXADGLUWFM-FUBMLGGISA-N 332.440 3.835 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(OC)cc2[nH]1 586916670 NFLRBVFIDOUYHT-MGPUTAFESA-N 336.391 3.788 0 1 EHAF COc1cc(OC)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587017183 SNKPGGPKVLWZKD-GFCCVEGCSA-N 331.397 3.555 0 1 EHAF FC(F)(F)c1cnc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 587037362 UOPTZKGLUDNDKJ-NSHDSACASA-N 339.342 3.895 0 1 EHAF COc1cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2cc1F 587166755 IJLMKTQAGPDRKV-SREVYHEPSA-N 329.306 3.502 0 1 EHAF COc1cc(OC)c(OC)cc1Cc1cc2c3c(cccc3n1)CC2 587213419 IMSHPOMXLRPCJW-UHFFFAOYSA-N 335.403 3.950 0 1 EHAF O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccc3c(c2)OCO3)C1)CC4 587215110 BMNMHMQJDCBDGK-INIZCTEOSA-N 343.382 3.709 0 1 EHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3c(Cl)ncnc3[nH]2)c1 587242057 OAIFUXPPHQMHIT-UHFFFAOYSA-N 329.791 3.658 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)O2 587388168 XETWVQAEOQILPA-CWTRNNRKSA-N 348.443 3.604 0 1 EHAF O=C1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587532143 NLSCXOFHZIGIAH-NRFANRHFSA-N 334.371 3.735 0 1 EHAF COc1cccc(-c2nc3ccc(F)c(Br)c3[nH]2)c1O 587785525 BWSXKQHNLHVLNF-UHFFFAOYSA-N 337.148 3.846 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](C)C[C@H]2C 587823100 OGDHUSKSVNPKBD-IOOBAMJDSA-N 340.236 3.563 0 1 EHAF O=C1[C@H]2CC3C[C@H]1CC(NCc1cc(-c4cccs4)on1)(C3)C2 653700544 YDRMKBYAVGAHBQ-MWDZPIOTSA-N 328.437 3.641 0 1 EHAF CN1C(=O)C[C@H]2CN[C@H](C(C)(C)Oc3ccccc3)c3cccc1c32 963020219 GCWRFZMTRFQURI-XOBRGWDASA-N 336.435 3.639 0 1 EHAF CCCSc1ncc([C@H]2NCCc3c(OC)ccc(Cl)c32)cn1 963257649 MFLOTRXQJMITBM-MRXNPFEDSA-N 349.887 3.876 0 1 EHAF CC(C)(C)Cc1nsc2cc(N=c3[nH][nH]c4cccnc34)cnc12 1857602414 LSRDHJRTPDBGIR-UHFFFAOYSA-N 338.440 3.717 0 1 EHAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@@H](O)CC2=C(C)C(=O)O[C@@H]2C1 2356484981 OFDXQVMWNHHDDC-NAHOJYEASA-N 334.456 3.683 0 1 EHAF COc1cc(O)ccc1C1=CC2=C(OC1)[C@H]1C=CC(C)(C)O[C@@H]1C=C2 2356713946 WYTRYIAHWURYTM-ZWKOTPCHSA-N 338.403 3.988 0 1 EHAF CCCNc1nc(C)cc(-c2cc(C(=O)Nc3ccccc3)on2)n1 12727054 QIOLBCXYLODBHA-UHFFFAOYSA-N 337.383 3.514 0 3 EHAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3ccoc3)cs2)c1 61908201 HCXXQJOGHSPXRV-MRXNPFEDSA-N 328.393 3.637 0 3 EHAF COc1ccc(-c2csc([C@](C)(O)c3ccc(F)c(F)c3)n2)cn1 61925945 YKUGPCBPBDAGHS-QGZVFWFLSA-N 348.374 3.748 0 3 EHAF Cc1oc(-c2ccc(C(=N)N)cc2)c(C)c1-c1ccc(C(=N)N)cc1 6520437 CMRUZWCPUQKDDF-UHFFFAOYSA-N 332.407 3.799 0 1 EHAF CC[C@@H](O)[C@H](O)/C=C/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O 112974829 WYCMUVNNXSREQB-HVPSRUGQSA-N 334.456 3.934 0 1 EHAF OC1=C2C(=Nc3nnnn3[C@@H]2c2c(Cl)cccc2Cl)CCC1 103627749 LGYZZDOCDCYITG-CYBMUJFWSA-N 336.182 3.651 0 1 EHAF CC(C)CC[C@@](CCN(C(C)C)C(C)C)(C(N)=O)c1ccccn1 27522362 FUIWPZRNLDWDRB-FQEVSTJZSA-N 333.520 3.750 0 1 EHAF Cc1cccnc1[C@H](C)N(CCCCN)Cc1nc2ccccc2[nH]1 66076857 NJQLJSGBWOUGLN-INIZCTEOSA-N 337.471 3.568 0 1 EHAF CN1C[C@@H](c2cccc(OCc3ccc4ccccc4n3)c2)OC1=O 26184714 CJBINGOMISUGEU-IBGZPJMESA-N 334.375 3.937 0 1 EHAF O=C(c1ccc2[nH]ncc2c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 117629470 KWYKSMXBVKWBOZ-QUCCMNQESA-N 331.419 3.898 0 1 EHAF C[C@]12CC[C@@H]3c4ccc(OCC(=O)O)cc4CC[C@H]3[C@H]1CCC2=O 71758241 XSDCLHQDGODZPZ-VIPLHTEESA-N 328.408 3.575 0 3 EHAF CCC(=O)c1ccc2c(c1)sc(=O)n2CCCN1CCCCC1 38692967 UOTVBAFVZJPADP-UHFFFAOYSA-N 332.469 3.532 0 1 EHAF CC(=O)Nc1c(-c2ccccc2F)c2cc(Cl)ccc2[nH]c1=O 40835399 OABNTGZULLQIFQ-UHFFFAOYSA-N 330.746 3.946 0 1 EHAF CO[C@H]1C(=O)N(SC)[C@H]1c1cc(Cl)cc(Cl)c1Cl 40424760 DCLYYRACXWFJHT-VHSXEESVSA-N 326.632 3.823 0 1 EHAF CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1 96282836 CEJFWHOOEUEYOE-UHFFFAOYSA-N 338.194 3.989 0 1 EHAF COc1ccc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2c1 587927042 RDEGQIHPKGVWFU-LBPRGKRZSA-N 326.396 3.935 0 1 EHAF Cc1c(Cl)ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c12 587223201 ANZAXFMIQONJME-LBPRGKRZSA-N 343.814 3.608 0 1 EHAF O=C(O)CC[C@]1(c2ccc[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 587524743 JVYFXMNOXWGASQ-HXUWFJFHSA-N 339.391 3.619 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4nnc(C)o4)cc1)[C@@H](C2)C3=O 587437091 WTDDTJXOSUDETG-KXBFYZLASA-N 348.358 3.542 0 1 EHAF CCOc1n[nH]c(-c2nc3ccc(Cl)cc3[nH]2)c1Br 586979319 KZSBNUNYPWRSRS-UHFFFAOYSA-N 341.596 3.768 0 1 EHAF Oc1nc(S)nc2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc12 587053764 IJOZZKAKUWCFFW-PLNGDYQASA-N 339.207 3.824 0 1 EHAF C[C@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2c(C(=O)O)cccc12 587637049 BELGGLAZAHUJEP-VIFPVBQESA-N 327.311 3.860 0 1 EHAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)n1 587080704 XPQQNWWCOAIODB-VIFPVBQESA-N 343.818 3.936 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCCOc4ccc(C)cc41)[C@@H](C2)C3=O 587452814 LTAGCPFNJBCXFJ-KKSFZXQISA-N 336.387 3.819 0 1 EHAF Cn1nc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(F)c1O 587155573 OQBIADOYHVILTA-UHFFFAOYSA-N 340.383 3.959 0 1 EHAF Cc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587857242 ZDFPCKCFJHIBQQ-CPFSXVBKSA-N 341.249 3.977 0 1 EHAF Cc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1F 586997123 NKVYYCVQOOSCST-CQSZACIVSA-N 335.176 3.855 0 1 EHAF C=CC(=O)NC(C)(C)C[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587471431 SSTIPWPZNWWNFJ-HXUWFJFHSA-N 345.439 3.540 0 1 EHAF C[C@]1(c2ncc(C(=O)O)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587535247 JQEHGPKQYLGBPB-GOSISDBHSA-N 343.404 3.601 0 1 EHAF Clc1ccccc1CCc1nc2nc(Br)c[nH]c-2n1 587059958 WCIBZZPAHABKDK-UHFFFAOYSA-N 337.608 3.506 0 1 EHAF O=C(Cc1ccccc1)NCCc1nc2cc(Cl)c(Cl)cc2[nH]1 587227883 AFPNCHNQKUHYNF-UHFFFAOYSA-N 348.233 3.771 0 1 EHAF O=C(CCC(=O)c1ccccc1)O[C@H](Cn1ccnc1)c1ccccc1 1772641956 KBKBKXYLFZFQLC-HXUWFJFHSA-N 348.402 3.831 0 1 EHAF C=CCc1cc([C@@H](C)C(=O)c2ccc3c(c2)OCO3)cc(OC)c1O 13311478 KMKJYXJQJSQMJU-GFCCVEGCSA-N 340.375 3.844 0 1 EHAF biogenic CCn1cc2c(n1)C(=O)N(C)Cc1ccc(-c3cccnc3C)cc1-2 1857618275 CXGMELZHEJKZMF-UHFFFAOYSA-N 332.407 3.526 0 1 EHAF C[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)c1ccccc1 563153 GXHQBGRFACUORD-LLVKDONJSA-N 334.404 3.870 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](O)C[C@]2(C)C(=O)CC[C@H]32)C1 2356441730 CEFAOKKMPAXYIR-QKHVISTCSA-N 348.483 3.501 0 1 EHAF CN1[C@@H]2CC[C@@H]1[C@@H]([C@@H](O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 102197955 FSULAQVXMVICFX-ARILJUKYSA-N 333.781 3.830 0 1 EHAF NCc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1 28826385 LYBVJRGNHGNDMJ-UHFFFAOYSA-N 333.435 3.665 0 1 EHAF in-vitro COc1ccc(-c2oc3cc(O)c(C)c(C)c3c(=O)c2OC)cc1O 26391046 APSQCEONXHSHLN-UHFFFAOYSA-N 342.347 3.505 0 1 EHAF Cc1cc([C@H](c2ccc(OC(C)C)cc2)N2CCN(C)CC2)sn1 28247165 PONJNMRDALCFOL-IBGZPJMESA-N 345.512 3.576 0 1 EHAF C[C@H](NC(=O)/C=C/c1ccccc1F)c1ccc2c(c1)N(C)CCO2 28108045 KWIXYFAAOLQNQB-PLWJUESGSA-N 340.398 3.545 0 1 EHAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1coc2ccccc2c1=O 72112380 SBNRGWHWDAJKGL-UHFFFAOYSA-N 349.264 3.944 0 1 EHAF COc1cccc([C@H](O)c2nnc(Nc3ccccc3C)s2)c1 82078259 CUFZONDOJOEANO-HNNXBMFYSA-N 327.409 3.680 0 1 EHAF CCCOC(=O)c1ccc(C)cc1NC(=O)c1ccccc1OC 40976346 OXFVUYCPPCNTBW-UHFFFAOYSA-N 327.380 3.823 0 1 EHAF COc1ccc2cc(-c3nn(C(C)(C)C)c4ncnc(N)c34)ccc2c1 84687194 LXDGODGPGGAZSS-UHFFFAOYSA-N 347.422 3.992 0 1 EHAF Clc1ccccc1OC[C@H]1CCCN1c1ncnc2ncccc12 140211667 RXSMJUIGEXUBGW-CYBMUJFWSA-N 340.814 3.726 0 1 EHAF CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)C([N+](=O)[O-])=C2 96922348 FGFIQPKEABTBLS-QGZVFWFLSA-N 327.336 3.845 0 1 EHAF Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587633931 OUHKQEYEBQBPCJ-UHFFFAOYSA-N 325.265 3.599 0 1 EHAF COc1cc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2cc1Cl 587243458 DQMIEMWTECGRFU-BQYQJAHWSA-N 327.771 3.877 0 1 EHAF CCCn1nc(C2CC2)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587393215 ZUQAETREJYFKBU-GOSISDBHSA-N 325.412 3.768 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-n3cncn3)c1)CC2=O 587482034 YURZXVZUYDNTCB-IBGZPJMESA-N 349.390 3.632 0 1 EHAF CCOC(=O)c1ccc2nc(-c3c(F)ccc(F)c3OC)[nH]c2c1 587133349 UJIPIWNJSMAPEL-UHFFFAOYSA-N 332.306 3.693 0 1 EHAF O=C(O)/C=C/c1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 586879758 NJTCWXJTURYGRC-AATRIKPKSA-N 333.269 3.742 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1nc4cc(C)ccn4c1C)[C@@H](C2)C3=O 587437411 ZUDLFSUMVMJQCS-BTYIYWSLSA-N 348.402 3.623 0 1 EHAF Cc1nc2[nH]c(COc3ccc(F)cc3)nc2cc1Br 587167967 BJIXZIWBPLRWIW-UHFFFAOYSA-N 336.164 3.747 0 1 EHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Cl)nc2[nH]1 586963441 NWKBKGQRAKZEMO-VIFPVBQESA-N 335.820 3.659 0 1 EHAF CC(C)(SCC(=O)O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586960683 XNRCKMMIDGVPIO-UHFFFAOYSA-N 336.310 3.774 0 1 EHAF CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 587625022 ZFNADSAXHRCUBN-UHFFFAOYSA-N 333.693 3.894 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)C)nn(C)c1Cl)O2 587380219 QYPYNHAJEJYIOI-CYBMUJFWSA-N 333.819 3.794 0 1 EHAF FC(F)(F)[C@@](F)(Cl)c1nc2ccnc(Br)c2[nH]1 587089617 FHWPIXANFPCSBV-SSDOTTSWSA-N 332.482 3.644 0 1 EHAF Cc1[nH]c([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)c(C)c1C(=O)O 963113583 UTCAYCZXTUSYRF-XOBRGWDASA-N 342.414 3.753 0 1 EHAF Cn1cc2cccc([C@]3(C)c4c(F)cccc4C[C@@H]4CCCN43)c2n1 963101871 MHKQYPFHQWNRTM-HRAATJIYSA-N 335.426 3.996 0 1 EHAF COc1ccc2cccc(CCN3C(=O)CC(C)(C)CC3=O)c2c1 169311992 ZYKVCJPKFSWIIE-UHFFFAOYSA-N 325.408 3.566 0 1 EHAF CC/C=C/C/C=C/C[C@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O 4556783 BISQPGCQOHLHQK-DFEGUSQBSA-N 334.456 3.934 0 1 EHAF CSCCn1cc(-c2cccc(C(N)=S)c2)c2ccc(N)cc21 1857596191 TWGXJAFPAZREEC-UHFFFAOYSA-N 341.505 3.888 0 1 EHAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4055524 LPQDHYUYVRBAOE-DOTOQJQBSA-N 346.814 3.941 0 1 EHAF CC1(C)Oc2ccc3c(=O)cc(-c4ccccc4)oc3c2[C@@H]1C(=O)O 5742410 IBFIGGWXZUBEMK-QGZVFWFLSA-N 336.343 3.799 0 1 EHAF O=C(O)CCc1c(C(=O)O)[nH]c2cc(Oc3ccccc3)ccc12 13454915 PKFAYNLUAGDMNZ-UHFFFAOYSA-N 325.320 3.676 0 1 EHAF CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@@H]1O 27425722 XRDHAXIOHKTIGF-ZYIFXTJASA-N 338.488 3.567 0 1 EHAF CC[C@@H](c1ccc(CO)c(O)c1)[C@@H](CC)c1ccc(CO)c(O)c1 27654269 QNSDMFYAVJZCQG-ROUUACIJSA-N 330.424 3.770 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@@]45CO[C@@H](C[C@]12C)[C@@H]35 29123445 FJPYTWFSWKDUOC-SHFIKRAWSA-N 330.468 3.504 0 1 EHAF CSc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)noc1C 29552579 PRTUPPORJRVRBR-UHFFFAOYSA-N 340.470 3.803 0 1 EHAF Brc1ccccc1O[C@@H](c1ccccc1)[C@H]1CNCCO1 34874727 XTOPLFVJQKWOCT-SJORKVTESA-N 348.240 3.558 0 1 EHAF Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccncc3)=N2)cc1 40430821 BUEYRPFHPSSVCG-UHFFFAOYSA-N 335.357 3.653 0 1 EHAF CCOC(=O)c1c(-c2cccc(F)c2)[nH]c2cccc(OC)c2c1=O 49126138 UBCYPSNWVKORPY-UHFFFAOYSA-N 341.338 3.520 0 1 EHAF C[C@H]1[C@H](O)c2ccc3c(c2[C@H](c2ccc4c(c2)OCO4)[C@H]1C)OCO3 86042472 UCKOOWAZZOXHLY-WYJOSGEYSA-N 340.375 3.595 0 1 EHAF O=c1c2cccc(Cl)c2ncn1CSc1nc2ccccc2o1 96910566 CIVVGRGUIKWXRE-UHFFFAOYSA-N 343.795 3.941 0 1 EHAF CN1C[C@@H]2C[C@@H]1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 101433675 GVNGZGPVJXWAOP-PWIZWCRZSA-N 335.447 3.628 0 1 EHAF 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346.423 3.835 0 1 EHAF Cc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1Cc1ccccc1 100492208 DTNGWNFMTOHTPY-UHFFFAOYSA-N 329.403 3.897 0 3 EHAF CC(C)n1cc(-c2n[nH]c3ccnc(O[C@H](C)C(F)(F)F)c23)cn1 114756281 GUMPWULEVGVOEL-SECBINFHSA-N 339.321 3.732 0 1 EHAF COC(=O)[C@H]1[C@@H](c2cccc(-c3cccn3C)c2)C[C@H]2CC[C@H]1O2 101501411 HYHKAAKSUZBYDJ-RWQQGDIJSA-N 325.408 3.516 0 1 EHAF CCC(CC)[C@](CCN(C(C)C)C(C)C)(C(N)=O)c1ccccn1 27522052 PXDJYYQSNNVVCT-FQEVSTJZSA-N 333.520 3.750 0 1 EHAF Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CC[C@@]1(C)C(=O)O 61903644 YUYUYRIJTRLQDE-KRWDZBQOSA-N 333.771 3.598 0 3 EHAF CCNC(=S)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc[nH]1 28653549 CLSOANYZXBPPHL-HNNXBMFYSA-N 332.860 3.714 0 1 EHAF CC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccc(-c2ccccc2)cc1 61924040 AVFLVCPGZJLNFT-ACRUOGEOSA-N 336.435 3.509 0 3 EHAF COc1ccc2c(c1)c(C1(CNC(=O)C3CCC3)CCCC1)cn2C 36188153 ZJEMRWTWDJLTPC-UHFFFAOYSA-N 340.467 3.915 0 1 EHAF O=C(Nc1cc(Cl)ccc1-c1ccccc1)NC1(C(=O)O)CC1 218414591 FMQBUMLPTSUNJJ-UHFFFAOYSA-N 330.771 3.746 0 1 EHAF 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20486789 YLIQBKHOWVTHAT-UHFFFAOYSA-N 331.435 3.591 0 1 EHAF C[C@@](O)(c1cccc(F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 61904258 SFZDOVXYNZXWCV-GOSISDBHSA-N 343.379 3.934 0 3 EHAF CCC[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5ccc(O)cc45)C(=O)C1)[C@H]32 27895896 BUQYFXGYNUICAV-PHVMSGICSA-N 338.451 3.944 0 1 EHAF Cc1nc(NCCOc2ccccc2)nc(N[C@@H](C)c2ccccc2)n1 28367227 RDWPTIYVQXOKDL-HNNXBMFYSA-N 349.438 3.844 0 1 EHAF CC(C)c1c(O)ccc2c1CC[C@@H]1[C@@](C)(C(=O)O)CC(=O)C[C@]21C 2356565611 FIIHHPSSDWHEQS-DBVUQKKJSA-N 330.424 3.790 0 1 EHAF O=C1c2cc3ccccc3cc2[C@]2(c3ccc(Cl)cc3)NCCN12 31900519 MJYUYNNPUNFARL-HXUWFJFHSA-N 334.806 3.753 0 1 EHAF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccoc3)cc2)C[C@@H]2CC[C@H]1N2C 36271602 KAVKUIYDILEQNP-INDMIFKZSA-N 325.408 3.686 0 1 EHAF Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(Cl)n1-2 39247026 CGGCSNJICCBVIE-UHFFFAOYSA-N 329.190 3.925 0 1 EHAF CN1O[C@](C)(CC(=O)Nc2ccccc2)N=C1c1ccccc1Cl 74373287 RSLJTBFSMXCMSU-GOSISDBHSA-N 343.814 3.709 0 3 EHAF CC(C)=CCC[C@]1(C)Oc2c(c(O)cc(O)c2C(=O)C(C)C)C[C@@H]1O 215464087 OTCGNFYHXWMHCW-JXFKEZNVSA-N 348.439 3.737 0 1 EHAF COc1c2c(c3ccc(=O)oc3c1/C=C\C(C)(C)O)OC(C)(C)C=C2 40876453 AXYRILDCSATJFU-NTMALXAHSA-N 342.391 3.770 0 1 EHAF Clc1cncc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)c1 96271432 TWOYKYNVMSQSNA-UHFFFAOYSA-N 340.770 3.533 0 1 EHAF CC(=O)[C@@H]1[C@@H](O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257414530 FGDFFHLIMDMCJI-CAEUEGMUSA-N 334.500 3.566 0 1 EHAF endogenous,in-man CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccco2)n1 299884221 SRIVEIISNMYQDY-HIFRSBDPSA-N 342.443 3.501 0 1 EHAF O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@H]1c1ccccn1 653681811 WREUMGOBADOOMR-IBGZPJMESA-N 346.386 3.827 0 1 EHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(OC)nc2[nH]1 587928170 XCZWZXPFXFYGBU-LBPRGKRZSA-N 327.384 3.526 0 1 EHAF Cc1nc(Br)sc1-c1nc2cc3cn[nH]c3cc2[nH]1 587014568 NFCHZWROGRILIN-UHFFFAOYSA-N 334.202 3.634 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(N)ccc1F)CC2=O 587465419 DNCLKYHTFWWKAJ-LJQANCHMSA-N 329.371 3.947 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCn3cccc32)N1 587773375 QXKLUYKWLDTFCZ-MGPLVRAMSA-N 335.220 3.571 0 1 EHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc(Cl)c3[nH]1)C2 587247500 SQKGMQJRECTFMN-SFHVURJKSA-N 327.815 3.568 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)nc1)CC2=O 587484990 HSYYGWDPCWAYAP-IBGZPJMESA-N 327.380 3.629 0 1 EHAF Oc1nccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587112419 MNANMXZJYGWXRF-UHFFFAOYSA-N 330.269 3.898 0 1 EHAF Oc1ccc(C2(c3nc4cc(Br)ncc4[nH]3)CC2)cc1 586896480 RPTHXEAPRDQUII-UHFFFAOYSA-N 330.185 3.506 0 1 EHAF O=C(/C=C\c1nc2cc(-n3cccn3)c(F)cc2[nH]1)Nc1ccccc1 587245413 XYZVWUPAIHXQJD-FPLPWBNLSA-N 347.353 3.540 0 1 EHAF CC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)C[C@H](C)[C@H]1OC(=O)[C@H]1C 43763853 WOISDAHQBUYEAF-KIGUBQHGSA-N 338.488 3.769 0 1 EHAF Cc1ccc2[nH]c(C)c(C(=O)[C@@H]3CS[C@H](c4cccnc4)N3)c2c1 13737513 RBNQXICCPSZXGJ-QFBILLFUSA-N 337.448 3.766 0 1 EHAF CCCCC[C@@H]1/C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 14819891 UTLCNJREJFJDLH-XSVOMJGASA-N 336.472 3.523 0 1 EHAF O=C(NCc1ccccc1)c1nccn1Cc1ccc(Cl)cc1 15782913 PZBKHVHILWPTGP-UHFFFAOYSA-N 325.799 3.515 0 1 EHAF CN(C)CCCN=c1[nH]c(/C=C/c2cccs2)nc2ccccc12 1857554444 OLIDIZMMDSEANI-ZHACJKMWSA-N 338.480 3.647 0 1 EHAF C[C@@H]1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]1(O)Cc1ccccc1O 1857564182 HXWOYNCIHDBMNX-SUWCZPGGSA-N 332.484 3.899 0 1 EHAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)cc1 234407 WNXOTSCXVRFWCT-ICSRJNTNSA-N 336.435 3.990 0 1 EHAF CCCCCCC1=NOC[C@]1(C)C(=O)NCc1ccccc1OC 4295232 IPKIKQBUOXDNPI-IBGZPJMESA-N 332.444 3.674 0 1 EHAF CC(=O)C[C@@H]1c2ccccc2N=C(n2ccnc2)N1c1ccccc1 103176594 MWEJHMGQXQXWNO-LJQANCHMSA-N 330.391 3.959 0 1 EHAF Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2 102720104 HEYZGOBFERKUEY-ZACQAIPSSA-N 328.456 3.527 0 1 EHAF Cc1noc(NCc2ccncc2)c1C(=O)Nc1cccc(Cl)c1 28890098 FVAVGHXTOCNEKV-UHFFFAOYSA-N 342.786 3.896 0 1 EHAF CC1=CN([C@H]2OC(=O)[C@H]3[C@@H](CC[C@H]3C)[C@H]2C)C(=O)[C@H]2[C@H](C)CC[C@@H]12 100782475 QTRZXLVUEGDULY-OVORJKLVSA-N 331.456 3.576 0 1 EHAF endogenous,in-man Cc1cc(Cl)nc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)c1 27624205 HNJBMANTAZKMEB-UHFFFAOYSA-N 340.899 3.650 0 1 EHAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1ccc2ccn(C)c2c1 2356762874 ZEDSWABWPAGTSU-OALUTQOASA-N 339.483 3.515 0 1 EHAF O=C1C[C@@H](c2ccccc2Br)n2c(nc3ccccc32)N1 72178654 CUKFGLVUIVXNLP-AWEZNQCLSA-N 342.196 3.730 0 1 EHAF COc1ccc(CN(C)[C@@H](C)CCn2c(=O)oc3ccccc32)cc1 43078679 ATYZMFRJGSXKIW-HNNXBMFYSA-N 340.423 3.514 0 1 EHAF Clc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1 45291197 QUGZEKVHJOWGND-UHFFFAOYSA-N 336.892 3.799 0 1 EHAF CN(C)CCC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 40901299 XMXYAOSGZWLWPL-UHFFFAOYSA-N 333.501 3.501 0 1 EHAF O=C(O[C@@]12CCCN(C1)/C(=C/c1ccncc1)C2)c1cccc(F)c1 96018869 IUSVAYSASNAHHS-BUDOKORBSA-N 338.382 3.657 0 3 EHAF O=C(Nc1cc2ccc(-c3cncc4[nH]ncc34)cc2cn1)C1CC1 144440447 FSXSZOBAXJRYDB-UHFFFAOYSA-N 329.363 3.522 0 1 EHAF CC/N=c1\c(NC(=O)c2c(F)cccc2F)c(O)oc2ccccc12 617997474 MSTCESPFRPPYPT-QNGOZBTKSA-N 344.317 3.590 0 1 EHAF Cc1[nH]nc2c1[C@@H](c1cccs1)c1c(nc3c(c1N)CCCC3)O2 299830993 ZPUVDDFGHXTOSN-CQSZACIVSA-N 338.436 3.922 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccns2)N1 587859438 WTABHLYXTYFLRZ-RTHLEPHNSA-N 341.249 3.842 0 1 EHAF CN(C)CCOc1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586891079 SDUYPBKKAUPTFG-XMSQKQJNSA-N 347.462 3.875 0 1 EHAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 587585214 CSNCQXALJAMANU-APWZRJJASA-N 337.331 3.566 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(C4CC4)n(C(C)C)n1)[C@@H](C2)C3=O 587431614 KYMZQTCSLADZNQ-XOBRGWDASA-N 338.407 3.839 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c(C(=O)O)csc31)O2 587415469 SYRQTNALBIIBLD-SFHVURJKSA-N 343.404 3.534 0 1 EHAF COC(=O)c1ccc(F)c(-n2nc3cc2Oc2ccc(F)cc2-3)c1 587873487 CEGLPFVOEWFVLC-UHFFFAOYSA-N 328.274 3.710 0 1 EHAF COc1cccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 587234097 XCHZPPNCHYRYIM-NWDGAFQWSA-N 331.416 3.732 0 1 EHAF Cc1cnc(Cl)c2[nH]c(-c3cc(Br)cnc3F)nc12 587178273 YKMRURNCRMEGIV-UHFFFAOYSA-N 341.571 3.883 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc4c1OC(C)(C)C4)[C@@H](C2)C3=O 587455473 NLNBUSWIEIJPPD-MGPUTAFESA-N 336.387 3.897 0 1 EHAF CC(C)(C)c1cccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 587127852 CAVCJCCZWZAYRJ-UHFFFAOYSA-N 342.353 3.903 0 1 EHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(CC[C@H]2c2ccccc2Cl)N1 962918597 IQLHLZWEVHMFJF-IYJAJMOOSA-N 345.801 3.851 0 1 EHAF Cc1cc2c(cc1F)[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](C)C1)NCC2 962300758 QBYOYGNITSLAMA-JLTOFOAXSA-N 348.462 3.895 0 1 EHAF Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCC(C)(C)C 13587409 UQLIXZSRZAJXEN-UHFFFAOYSA-N 327.450 3.574 0 1 EHAF O=C1Cc2ccccc2N1[C@H]1C[C@@H]2C[C@H](C1)CN2Cc1ccccc1 169363601 KMSRSLBWGAQZCH-YZGWKJHDSA-N 332.447 3.629 0 1 EHAF CC[C@@H](C)N(CC)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1 1857755241 QNIPMHRRIOPYBI-MRXNPFEDSA-N 340.467 3.990 0 1 EHAF CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N1CCCCC1 13533121 PBUOZLNZOBWRDT-UHFFFAOYSA-N 336.848 3.774 0 1 EHAF COc1ccc2c3c1O[C@H]1CC[C@H](C)[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 26669696 ZBWRAFCZORHKCH-BJPKZRLKSA-N 339.479 3.781 0 1 EHAF Cc1ccc(Sc2ccccc2OCCN(C)CC(=O)O)cc1 40763185 GXPUVDXULKSLMQ-UHFFFAOYSA-N 331.437 3.541 0 1 EHAF Cc1cc2c(c(=O)[nH]1)C(=O)N/C2=C\c1ccc(-c2ccccc2)s1 40847320 VZRYWVSKJDTEPW-GDNBJRDFSA-N 334.400 3.653 0 1 EHAF CC(C)NC(=O)c1ccc2c(c1)N=C(c1ccccc1)N(C1CC1)C2 49771820 UOZIAFOHHOJPDN-UHFFFAOYSA-N 333.435 3.881 0 1 EHAF Cn1cc(-c2ccc3c(c2)CCc2c[nH]nc2-3)c(-c2ccncc2)n1 71340406 VGYKWUYMCJJBJP-UHFFFAOYSA-N 327.391 3.638 0 1 EHAF OCC[C@@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 84757462 PXEFDQVJBIBEJQ-QGZVFWFLSA-N 343.492 3.563 0 1 EHAF CNc1nc(NCCCN(C)C)c2sc(-c3ccccc3)cc2n1 103263039 NMPLWZQDWJTUPK-UHFFFAOYSA-N 341.484 3.764 0 1 EHAF CC[C@@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)O 169622102 HIFJAIFWUBZVMA-PQCLAHMJSA-N 334.456 3.934 0 1 EHAF C/C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@H]2C1 238740736 BTWJKKIMLXVHOF-HXYGGUEJSA-N 332.440 3.953 0 1 EHAF Cc1cc(C)c2[nH]c(-c3cncc(I)c3)nc2c1 587184955 OAKNPLTZRLSLDB-UHFFFAOYSA-N 349.175 3.846 0 1 EHAF CC(=O)N[C@H](Cc1nc2c(C)cnc(Cl)c2[nH]1)c1ccc(C)cc1 587207768 VIOPUPYLKURYAN-CQSZACIVSA-N 342.830 3.648 0 1 EHAF Cc1c(Br)ccc2[nH]c(-c3ccc(NC(N)=O)cc3)nc12 587243652 HWDYPTLQXSBCDX-UHFFFAOYSA-N 345.200 3.791 0 1 EHAF COc1cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2cc1Cl 587251798 OEQINJOGVNUQCS-UHFFFAOYSA-N 329.787 3.623 0 1 EHAF C[C@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357389 NMLQNYNCDQDVKV-GCKAQTDUSA-N 342.366 3.828 0 1 EHAF O=C1C[C@](Cc2ccccc2)(C(=O)O)Oc2c1ccc1c2CCCC1 587528544 BNUAGBMUEVGLCH-OAQYLSRUSA-N 336.387 3.597 0 1 EHAF N=c1[nH]c(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535052 HZNCJEZTSWTWHK-LBPRGKRZSA-N 334.828 3.794 0 1 EHAF Cc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590862 ZQUYRNVYEJKKKP-OXQOHEQNSA-N 333.343 3.799 0 1 EHAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccccc1Cl 587633289 YBUXIRKVBLFKGY-UHFFFAOYSA-N 331.730 3.978 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C2CC2)N1 587814090 FVUNHJSNMBNGEK-FVMDXXJSSA-N 340.236 3.707 0 1 EHAF Cc1c(F)ccc2c1[C@](C)(CC(=O)N(C)c1ccccc1)NCC2 962376829 QYOWQRCNDGWZFP-FQEVSTJZSA-N 326.415 3.548 0 1 EHAF COc1cc([C@@H]2NCCc3c(OC)ccc(Cl)c32)cc(Cl)n1 963256533 DFZKFBKTWSBIEJ-INIZCTEOSA-N 339.222 3.641 0 1 EHAF CC[C@H](NCCO)c1ccc(Cl)c(C(=O)c2ccccc2)c1F 1772649072 QDRQIBDUIPLATA-HNNXBMFYSA-N 335.806 3.743 0 1 EHAF O=C(NCc1ccccc1)Nc1cccc(NC(=O)c2ccccn2)c1 1857607633 VHWMVBCOAYPSPG-UHFFFAOYSA-N 346.390 3.656 0 1 EHAF CSc1ncc2c(n1)CCc1cnc(Nc3ccc(F)cc3)nc1-2 1857648938 CNIRGVBNIJLUFT-UHFFFAOYSA-N 339.399 3.637 0 1 EHAF Cc1ccc(-n2cc(NC(=O)Cn3ccc4ccccc43)cn2)cc1 1857762759 RJHKTCHUVLLSLS-UHFFFAOYSA-N 330.391 3.774 0 1 EHAF CCCCC[C@H](O)C=C[C@H](O)[C@@H]1C[C@H]1[C@@H]1CC=CCCCC(=O)O1 2356523716 BUWOMMLMRPPTEZ-JKEDJMADSA-N 336.472 3.523 0 1 EHAF COC(=O)c1ccc2c(c1)C[C@]1(O2)[C@@H](C)CC[C@H](OC(C)=O)C1(C)C 2356578612 YATLABLTRNDGCJ-JTBRQZTESA-N 346.423 3.535 0 1 EHAF CCC(CC)C(=O)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 1364335 NCECZKCKWPVKCN-ZDUSSCGKSA-N 333.457 3.940 0 3 EHAF CCCCc1nc2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)ccc2o1 11764045 IAVWGCKAWGIREE-CQSZACIVSA-N 330.428 3.858 0 3 EHAF Cc1ccc(CN2C(=O)CC[C@]2(C)C(=O)NC2CCC(C)CC2)cc1 218975 HTVMVITWEPRFTE-QYGXFBIXSA-N 342.483 3.571 0 1 EHAF COc1cc2c(cc1OC)C[C@H](NC[C@H](OC)c1ccccc1)CC2 14953631 QWXYKBOVJZROBE-NQIIRXRSSA-N 341.451 3.538 0 1 EHAF in-vitro COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC)c(C=O)cc3CC[C@@H]12 27105456 OUOIOYFLGHKBIG-RLLQIKCJSA-N 330.424 3.691 0 1 EHAF Cc1occc1-c1nnc2sc(-c3ccnc4ccccc34)nn12 28712867 AUFYBNKDIDOWBB-UHFFFAOYSA-N 333.376 3.969 0 1 EHAF O=c1c2cccc(CO)c2cc2n1Cc1cc3cc(Cl)ccc3nc1-2 29126314 ZLDSZTDLTSGXLC-UHFFFAOYSA-N 348.789 3.724 0 1 EHAF NC1=N[C@](c2ccccc2)(C2CCCCC2)C(=O)N1Cc1ccccc1 34948990 AZYGPVIFZHZTAH-JOCHJYFZSA-N 347.462 3.819 0 1 EHAF COc1ccc(N2C(=O)/C(=C\N(C)C)c3ccccc32)cc1Cl 40496741 IORXXINRTWZAFJ-KAMYIIQDSA-N 328.799 3.929 0 1 EHAF Cc1cncn1CCCN1Cc2c(sc3c2CCCC3)NC1=S 45262054 BOPIZVHAUBIFSR-UHFFFAOYSA-N 346.525 3.735 0 1 EHAF CC[C@]1(c2ccccc2)OC(=O)C[C@]1(Cc1ccccc1)C(=O)OC 142751519 PNNSQDWCTWHUOH-NHCUHLMSSA-N 338.403 3.641 0 1 EHAF CCn1cc(C)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21 145230193 ZQHKLPCNVZUFQJ-UHFFFAOYSA-N 337.423 3.844 0 1 EHAF CC[C@H]1C(c2ccc3nc(-c4ccccc4)oc3c2)=NNC(=O)[C@@H]1C 168857283 PRARBWHVMNLUNN-IUODEOHRSA-N 333.391 3.991 0 1 EHAF COc1ccc(C=O)c2cc(-c3nc4c(Cl)nccc4[nH]3)oc12 586904161 QXCYETGUUTXJPQ-UHFFFAOYSA-N 327.727 3.846 0 1 EHAF COC(=O)[C@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587096652 GCKQGDZSNPFBJU-GFCCVEGCSA-N 343.382 3.642 0 1 EHAF FC(F)(F)c1cccnc1-c1nc2cncc(Br)c2[nH]1 587108366 KCBSTJUNADGHTB-UHFFFAOYSA-N 343.106 3.801 0 1 EHAF FC(F)(F)c1nc2ccc(-c3nc4c(Cl)ncnc4[nH]3)cc2[nH]1 587120242 DVNWTZAGHZOUOQ-UHFFFAOYSA-N 338.680 3.568 0 1 EHAF FC(F)COc1cccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)n1 587124297 MQNUBZSEJWBNHG-UHFFFAOYSA-N 345.136 3.971 0 1 EHAF C[C@]1(c2nc3cc(F)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173831 JWAQPVKCIWUKLF-QGZVFWFLSA-N 332.281 3.609 0 1 EHAF N=c1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c2ccccc2[nH]1 587253409 HAHTWYVMOYFAIJ-UHFFFAOYSA-N 330.178 3.892 0 1 EHAF C[C@@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357387 NMLQNYNCDQDVKV-CCMJGWDWSA-N 342.366 3.828 0 1 EHAF CCCn1nc(C)c(Cl)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587378873 RAXWULBTZNXPIF-CQSZACIVSA-N 333.819 3.852 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)C)nn(C)c1Cl)O2 587380220 QYPYNHAJEJYIOI-ZDUSSCGKSA-N 333.819 3.794 0 1 EHAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587775033 YEFVERTWIZRBGZ-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF CCCOc1cccc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587779024 TVTXJEMEQNRISI-UHFFFAOYSA-N 335.407 3.827 0 1 EHAF COc1ccoc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587826262 DYLBFVQSPRZQCM-XLKFXECMSA-N 340.192 3.813 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCOC2)N1 587834657 MFDFGBULLALEEB-BPYAMOTFSA-N 328.225 3.590 0 1 EHAF CCc1ccc(C(=O)CCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 587956910 LXAAYYDGMMMPLD-UHFFFAOYSA-N 334.379 3.523 0 1 EHAF CC[C@]1(c2ccc3c(c2)OCO3)N[C@H]2CC[C@@H]2c2ccc(OC)cc21 962995195 MLQYMDWKQJYIGS-PLMTUMEDSA-N 337.419 3.927 0 1 EHAF Cc1[nH]c([C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)c(C)c1C(=O)O 963113579 UTCAYCZXTUSYRF-JLTOFOAXSA-N 342.414 3.753 0 1 EHAF CCOC(=O)[C@H]1CCCN(C(=S)Sn2ccc3ccccc32)C1 1857557146 IFFBTAUHERAQOU-AWEZNQCLSA-N 348.493 3.698 0 1 EHAF COc1ccc2c(c1)CCN1C[C@H]2O[C@@H]1[C@H](F)CCc1ccccc1 1857587092 PPEZGVNEPSXGQA-NJDAHSKKSA-N 341.426 3.922 0 1 EHAF COc1c(C(=O)Nc2ccc(CC(=O)O)cc2)cccc1C(C)(C)C 1857768461 PZDOMOLDXRNFFM-UHFFFAOYSA-N 341.407 3.872 0 1 EHAF COc1ccccc1C=CC(=O)OC[C@H]1CCCN2CCCC[C@H]12 2356386763 VWQUVTOLQIBAKW-QZTJIDSGSA-N 329.440 3.516 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)c3c(C)coc3C(=O)[C@@H]12 2356594128 JSAITVSNDUGDOQ-BYDZKNIQSA-N 346.423 3.748 0 1 EHAF COc1ccc([C@H]2CC(=O)N(C)c3ccccc3S2)cc1OC 253150 ZJWCOLQBMCCBOW-QGZVFWFLSA-N 329.421 3.904 0 3 EHAF O=C(CCC1CCN(Cc2nccs2)CC1)Nc1ccccc1 12201858 WITFPURNHMEWIM-UHFFFAOYSA-N 329.469 3.774 0 3 EHAF CCCCCn1nc(C(=O)NN2CCCCC2)cc1-c1ccccc1 13679566 HSVCZCAJQDZYMB-UHFFFAOYSA-N 340.471 3.871 0 1 EHAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1CCOC(C)=O 15252931 HZUGAURVSZWUCX-JXFKEZNVSA-N 338.451 3.987 0 1 EHAF biogenic CN(C(=O)Cc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1N1CCCC1 26839053 CSVWEZDKEMVZHC-ROUUACIJSA-N 334.891 3.748 0 1 EHAF Cc1[nH]ncc1-c1ccc2nc([C@@H]3COc4ccccc4C3)[nH]c2c1 40846204 OFHDLGOCCWHMKV-HNNXBMFYSA-N 330.391 3.980 0 1 EHAF O=C(Nc1cccc2ccc(O)cc12)C(=O)c1c[nH]c2ccccc12 45253300 UKWPTTHUJWPUCL-UHFFFAOYSA-N 330.343 3.848 0 1 EHAF COc1cc2cc(-c3cccc(C(C)=O)c3)[n+](C)c(C)c2cc1OC 45285073 HVTNRVLGENUOHO-UHFFFAOYSA-N 336.411 3.860 0 1 EHAF Nc1c(C(=O)c2ccccc2)sc2c1c1c(c3nncn32)CCCC1 66099101 KQSGKPJOAYDPGY-UHFFFAOYSA-N 348.431 3.636 0 1 EHAF CCCCc1nc2nc(N(CC)C3CCCCC3)ccc2[nH]c1=O 82231770 UXPOPPCPIGQYPW-UHFFFAOYSA-N 328.460 3.820 0 1 EHAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2ccccc2OC)cc1 100101453 GWZAYXUDWIYXKL-NLUSPNLBSA-N 334.463 3.668 0 1 EHAF c1ccc2[nH]c(CSc3n[nH]c4c5ccccc5nc-4n3)nc2c1 104997073 YLSKEDIYAXYSII-UHFFFAOYSA-N 332.392 3.626 0 1 EHAF O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(C(F)(F)F)nc1 117721041 DXBXTJKPTVEHDO-CYBMUJFWSA-N 349.356 3.820 0 1 EHAF Cc1ccc(-c2nc3ccc(C4=NNC(=O)[C@H]5C[C@@H]45)cc3o2)cc1C 139329232 CCYBZCDHHMUDBE-CABCVRRESA-N 331.375 3.582 0 1 EHAF C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(C)(C)C)CC2)CCN1c1ccccn1 261088290 CZZLAXLHICNUBR-KZNAEPCWSA-N 343.515 3.971 0 1 EHAF O=C1c2ccccc2-c2cc([C@H]3CCCC3=O)nc3ccc(O)c1c23 586990787 HFIGRDZLCRAHDO-CYBMUJFWSA-N 329.355 3.988 0 1 EHAF Cc1cc(Br)cc2nc(-c3cc(CO)ccc3F)[nH]c12 587140216 JFDNFPWWOYGPNV-UHFFFAOYSA-N 335.176 3.932 0 1 EHAF COC(=O)CC[C@@]1(C)CCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587400309 QKYDSAONOIRYDE-UXHICEINSA-N 345.439 3.815 0 1 EHAF CCc1nc2c(s1)[C@@]1(CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453000 OOUCIJKNYBZMLZ-BLVKFPJESA-N 341.432 3.693 0 1 EHAF Oc1nc(O)c2ccc(COc3ccc(-c4ccccc4)cc3)nc2n1 587554343 IBFBOIUJFRJJGJ-UHFFFAOYSA-N 345.358 3.682 0 1 EHAF Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587589002 STWDKDVBWMALOA-PXNSSMCTSA-N 333.343 3.799 0 1 EHAF Cc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587589531 XSWARFNQHCBJIS-BEFAXECRSA-N 337.331 3.700 0 1 EHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccc(Cl)cc1 587650126 XVGGSIMOVGZURD-UHFFFAOYSA-N 347.823 3.764 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)F)N1 587703895 HMOVXKIMGGYABO-UPONEAKYSA-N 326.131 3.900 0 1 EHAF CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1C1CCCC1 1911572275 SUQGWEJUOUSURJ-KRWDZBQOSA-N 325.412 3.684 0 1 EHAF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1 28820521 GAWHGTOTTFVQOY-LBPRGKRZSA-N 348.855 3.731 0 1 EHAF O=C(NCCCc1ccccc1)c1cccc(NC(=O)C2CCC2)c1 61936319 BKVBCBDMOYWZPL-UHFFFAOYSA-N 336.435 3.788 0 3 EHAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCCC(=C23)[C@@]12C[C@H](c1ccco1)OC2=O 2356476441 IQEKRSIWCDUGJG-KHZNIVTBSA-N 342.391 3.706 0 1 EHAF CC[C@H]1CN2CC[C@H]1C[C@H]2CN(Cc1ccco1)Cc1ccco1 2356870987 XVYMYFVGEPSAIM-BZSNNMDCSA-N 328.456 3.995 0 1 EHAF CC[C@@]12C[C@H](O)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12 40395069 KVPALVACWJUWHG-XYEHWOGUSA-N 338.447 3.645 0 1 EHAF Nc1cnc(-c2ccc(-c3cccnc3OCC3CC3)cc2F)cn1 224836091 GAPDWZOYCUXFMB-UHFFFAOYSA-N 336.370 3.716 0 1 EHAF COc1ccccc1-c1c[nH]c2ncnc(N3CCC(F)CC3)c12 224879943 ILZPYTXOIXLWFM-UHFFFAOYSA-N 326.375 3.572 0 1 EHAF C[C@H](CC[C@@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)[C@H](O)CC[C@]21C)CC(=O)O 238783636 QBLCBVUJOBOSCE-HDRHIQQSSA-N 340.504 3.842 0 1 EHAF CC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255221804 JTVJZIIJXYOXCP-YMJVXHRNSA-N 332.484 3.630 0 1 EHAF COc1ccc([C@@H]2CCc3c(OC)ccc(OC)c3C2=O)c(OC)c1 299855977 BJZHAKCIFDXFHQ-AWEZNQCLSA-N 342.391 3.634 0 1 EHAF O=c1c(-c2nc3cccnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587172952 OIHSMVUURAHNQD-UHFFFAOYSA-N 338.317 3.553 0 1 EHAF COc1cccc([C@@H](C)Cc2nc3cc(OC)c(OC)cc3[nH]2)c1 587930093 GTKNUSVEKOWXGI-LBPRGKRZSA-N 326.396 3.935 0 1 EHAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(C)(C)C)cc2[nH]1 586962583 SDYUCEISFINABF-VIFPVBQESA-N 343.456 3.792 0 1 EHAF OCc1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 586894920 GUPPJUPOQHHTPI-UHFFFAOYSA-N 343.255 3.771 0 1 EHAF Cc1csc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587853096 OXXYBAQVNFUCOB-FUXBKTLASA-N 341.249 3.977 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(COCc3ccccc3)C1)O2 587400712 SKKXVABYGFPDQD-UHFFFAOYSA-N 337.419 3.908 0 1 EHAF COc1cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1OC 587194865 CKKWTVCUTRJXHR-GFCCVEGCSA-N 325.412 3.798 0 1 EHAF COc1cc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587399827 MPTWHXHZBZSXOC-FQEVSTJZSA-N 341.407 3.783 0 1 EHAF CCCOc1cccc(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 587778204 IIWJCRZBTVSEMO-UHFFFAOYSA-N 328.343 3.780 0 1 EHAF Oc1nccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587042943 WIOXXQXNUVQIEC-UHFFFAOYSA-N 345.449 3.721 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(OC)cc2[nH]1 586916667 NFLRBVFIDOUYHT-FOIQADDNSA-N 336.391 3.788 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnn(CCF)c1C)CC2=O 587465288 GRQKJVKVQSNCBW-KRWDZBQOSA-N 332.375 3.526 0 1 EHAF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cccc(F)c12 587632375 AQIMMKOKMXWGIP-UHFFFAOYSA-N 331.730 3.983 0 1 EHAF CC(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1cccc(N)c1 587650873 WDSHGHYMJJNHFQ-UHFFFAOYSA-N 342.464 3.868 0 1 EHAF Cc1c(-c2nc3ncc(Br)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905679 YMOXYJQVBJWWKO-JTQLQIEISA-N 348.200 3.659 0 1 EHAF CC/C=C(\NOCC)C1C(=O)CC(C[C@@H](C)SCC)CC1=O 957848325 ZMUMVIYLLGLWQZ-HRLQPIKSSA-N 327.490 3.518 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)[C@H](OC)c1ccccc1 963607772 KEGQCFITCIKJHV-LVXYXVKQSA-N 341.451 3.841 0 1 EHAF COc1ccc2c(c1OC)[C@H](c1cc3ncccc3o1)N(C)[C@H](C)C2 962631161 QNQOMDJGFMEAJR-BLVKFPJESA-N 338.407 3.811 0 1 EHAF COc1ccc2c(c1)c1c(n2C)CCCC[C@H]1CNC(=O)C1CC1 13777920 IGMQCLZAUXBGFX-AWEZNQCLSA-N 326.440 3.523 0 1 EHAF CC(C)c1ccc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 13861016 ZYSGPNCFTPUHGN-IAGOWNOFSA-N 345.414 3.874 0 1 EHAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccc2ccccc12 169314060 JKAFFXOGVDWHNS-HJWRTJQDSA-N 333.431 3.879 0 1 EHAF Cc1ccc(SCCCNC[C@H](O)COc2ccccc2)cc1 169326494 SUMFJJUPKVIHKW-KRWDZBQOSA-N 331.481 3.507 0 1 EHAF CCCCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167150755 YXNGXJGPEYWWNV-UHFFFAOYSA-N 337.423 3.764 0 1 EHAF CCN(CC)c1ccc(-c2cc3ncccc3c(NCCCN)n2)cc1 13489168 KKLWCWBLIPONGL-UHFFFAOYSA-N 349.482 3.904 0 1 EHAF CC(C)=CCC[C@@](C)(O)[C@H]1Cc2c(c3c(C)cccc3oc2=O)O1 14611511 WLCNFVPYTHKEQD-OXQOHEQNSA-N 328.408 3.902 0 1 EHAF biogenic COc1ccc([C@H]2COc3c(ccc4occc34)C2)c(OC)c1O 14710439 DGWRIGGEKQHRTA-GFCCVEGCSA-N 326.348 3.874 0 1 EHAF biogenic CSc1ccc(NC2=C(c3ccccc3Cl)C(=O)NC2=O)cc1 14946028 XMKRZXOTGFXMPH-UHFFFAOYSA-N 344.823 3.542 0 1 EHAF O=C(O)c1ccccc1Nc1ccnc(OCC2CCCCC2)n1 14960244 AJFJKESCIZJWIX-UHFFFAOYSA-N 327.384 3.878 0 1 EHAF O=C(NCc1ccc(F)cc1)c1noc2c1CCc1sccc1-2 15733175 BUOHWGLVKIYGKD-UHFFFAOYSA-N 328.368 3.571 0 1 EHAF CCCn1ncc(-c2ccnc(N3CCC[C@H]3c3ccccn3)n2)c1C 20149430 GBSIYYWUVDGGKM-IBGZPJMESA-N 348.454 3.795 0 1 EHAF C[C@@H](O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26395469 HABYHHAEXZCLGB-OAGDKFAKSA-N 333.516 3.847 0 1 EHAF Cc1cc([C@@H](c2ccc(OC(C)C)cc2)N2CCN(C)CC2)sn1 28247158 PONJNMRDALCFOL-LJQANCHMSA-N 345.512 3.576 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)CCC[C@@]4(C)[C@@H]3CC[C@]12C 29416432 QMLITUVHFWKQTB-FFSPKELQSA-N 347.499 3.829 0 1 EHAF CC(=O)Nc1nc(C)c(-c2csc(Nc3cccnc3F)n2)s1 38318012 AVAUTZYNUCYYIO-UHFFFAOYSA-N 349.416 3.811 0 1 EHAF NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(F)cc1 49785879 YMWVSFOVYFSNAO-HNNXBMFYSA-N 333.819 3.874 0 1 EHAF COc1ccc(C(=O)Nc2c(C(=O)O)ccc(Cl)c2Cl)cc1 66148392 OVIOHOPMNMMHLL-UHFFFAOYSA-N 340.162 3.953 0 1 EHAF COc1nc2sccn2c1/C=C1/C(=O)Nc2cc(Cl)ccc21 84709335 URNIJKLFCBUBME-JXMROGBWSA-N 331.784 3.551 0 1 EHAF CCN(CC)C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 100728248 HVKNYGIHMRFIPC-BRSBDYLESA-N 334.891 3.775 0 1 EHAF Fc1ccc(C(NC2C[C@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1 101060905 HKWYFLNOIRZTIH-QZTJIDSGSA-N 328.406 3.927 0 1 EHAF O=C(NCc1ccc(F)cc1)Nc1cc2[nH]nc(C3CCC3)c2cn1 261175390 UTORHAWJPNSTLP-UHFFFAOYSA-N 339.374 3.686 0 1 EHAF COC(=O)c1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1OC 587036730 KYDIOVJMLMKVQK-UHFFFAOYSA-N 328.393 3.575 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(Cc3ccc(OC)cc3F)nc2c1 587150133 ZPMALBBAQIMUPU-UHFFFAOYSA-N 348.761 3.741 0 1 EHAF NC(=O)Nc1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 587243875 SFLGIWIWPZUUFS-UHFFFAOYSA-N 336.273 3.619 0 1 EHAF COc1cc2c(c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@@H](C)C2 587411362 INEGOSCSOCYWLY-BBATYDOGSA-N 339.391 3.616 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnc(C)n1-c1ccccc1)[C@@H](C2)C3=O 587430530 INNWUUDIKHJDBE-HRAATJIYSA-N 346.386 3.678 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(CN1CCC[C@H](C)C1)CC2=O 587482067 ZABBFCZUXOLSJX-VBKZILBWSA-N 331.456 3.801 0 1 EHAF CC(C)OCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592341 GRTBHJOZEZDYRX-FXAWDEMLSA-N 342.391 3.928 0 1 EHAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587932224 WDKXTWRJKQAXCV-RBZFPXEDSA-N 336.391 3.788 0 1 EHAF O=C(O)Cc1ccc(Cc2nc3cccc(Br)c3[nH]2)cc1 587960560 DROKHYIKDYHJDE-UHFFFAOYSA-N 345.196 3.543 0 1 EHAF Cc1cc2c(cc1F)[C@]1(NCC2)c2ccccc2C(=O)c2cnccc21 962375515 NREIFSLJXWLROJ-QFIPXVFZSA-N 344.389 3.511 0 1 EHAF CCOC(=O)c1ccnc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1 963097173 FQGBPRVXZPYXLR-QFBILLFUSA-N 340.398 3.507 0 1 EHAF CC(C)(C)c1ccc(C(=O)NCc2ccc(CCC(=O)O)cc2)cc1 1772572227 RSMYVINOIWLGTD-UHFFFAOYSA-N 339.435 3.931 0 1 EHAF COc1ccccc1CNC[C@H]1C[C@]1(F)c1cc(F)ccc1OC 1857593596 QXPPIWPCEYSJBX-AUUYWEPGSA-N 333.378 3.817 0 1 EHAF O=C(O)CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)o1 1857609149 SLYOUQKIOAVZDQ-UHFFFAOYSA-N 332.303 3.712 0 1 EHAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C(=O)O)[C@]2(C)CCC(=CCO)CO 2356781848 CARVBZGFRUGPHE-CUDHKJQZSA-N 336.472 3.541 0 1 EHAF CC(=O)Nc1ccc(N2C(=O)CS[C@@H]2c2ccc(F)cc2)cc1 423756 JXXNWRLWFOOJDL-QGZVFWFLSA-N 330.384 3.563 0 3 EHAF C[C@@H](Sc1sc(=S)sc1S[C@H](C)C(=O)O)C(=O)O 4101853 BYYSUBAPDGRCKB-QWWZWVQMSA-N 342.510 3.669 0 3 EHAF Nc1nc2cc(Cl)ccc2cc1C(=O)NCCCc1ccccc1 95568220 JNBPJDZBSRPJBA-UHFFFAOYSA-N 339.826 3.833 0 3 EHAF C[C@@H]1CC(=CC(=O)O)C2OC3(CC(=O)[C@@H]4C(C)(C)CCC[C@@]4(C)[C@H]13)O2 2356429820 IZFWOIUEWBPLPY-KSOPWKKTSA-N 348.439 3.528 0 1 EHAF Cc1ccc(=O)n(-c2ccc(OCCCCCN3CCCC3)cc2)c1 103233157 JZYFHVIRUQBFIJ-UHFFFAOYSA-N 340.467 3.791 0 1 EHAF OC1=C2C(=Nc3nnnn3[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 103628079 GDZIUQQZYWIJOA-ZDUSSCGKSA-N 336.182 3.651 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356552436 QIVOTMOKECOCJC-OCDNZBLCSA-N 334.500 3.566 0 1 EHAF COc1c(O)c2c3c(nccc3c1OC)C(C)(C)c1cc(O)ccc1-2 1842528 CUEIWVZJOPCMPT-UHFFFAOYSA-N 337.375 3.970 0 1 EHAF biogenic,in-vivo Fc1ccc(NCc2ccc(CNc3ccc(F)cn3)cc2)nc1 72108707 CROONFRXAQIKIS-UHFFFAOYSA-N 326.350 3.979 0 1 EHAF COc1nc(C)nc(Nc2ccc(Cl)c(OCC=C(C)C)c2)n1 35010598 FSFONHRWEPQSEG-UHFFFAOYSA-N 334.807 3.931 0 1 EHAF COc1cccc(-c2nc(CNCC(F)(F)C(F)(F)F)co2)c1 72101970 VDLGYORIYDAHEW-UHFFFAOYSA-N 336.260 3.637 0 1 EHAF CCCCC[C@@H]1/C=C/[C@H]2C(=O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 195147522 HZYSFMCHNGCKLZ-DFVNJMEGSA-N 334.456 3.731 0 1 EHAF C[C@@H](C(=O)O)c1c(F)cc(C[C@H]2CCCC2=O)cc1Br 84725145 YTWMTGXABKKVSP-PSASIEDQSA-N 343.192 3.688 0 1 EHAF COC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@@H]3CC[C@]12C 253635785 SZAGBXYCBORFKQ-LPJLFVJQSA-N 334.456 3.581 0 1 EHAF O=C(O)c1cccc(NC(=O)c2cc(C(F)(F)F)cc3nc[nH]c23)c1 621477753 KEAMZPJPKMCIJI-UHFFFAOYSA-N 349.268 3.532 0 1 EHAF Cc1cccc(-n2ncc3c(N(C)CCc4ccccc4)ncnc32)c1 621477790 LXRSQHPOUPLUKM-UHFFFAOYSA-N 343.434 3.803 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(CC/C=C\CCC(C)=O)[C@@H](C2)C3=O 587445513 KMIVCEUGDAXPQJ-NJXZSYQISA-N 328.408 3.907 0 1 EHAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cnnc(O)c3[nH]2)c1 586882145 KTAMTSDFLCQQEC-UHFFFAOYSA-N 344.374 3.573 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)cc1C(=O)O)[C@@H](C2)C3=O 587419355 LDJHZHKMQQYFBA-GUYCJALGSA-N 344.750 3.536 0 1 EHAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H](c3cc4c5c(cccc5n3)CC4)[C@@H]2C1 587213316 VGUCPSPNXOPVEB-CCWDJLKJSA-N 336.435 3.914 0 1 EHAF N[C@@H](c1ccsc1)c1nc2cc(Br)c(F)cc2[nH]1 587024443 ANVGBCFBHVWLNI-NSHDSACASA-N 326.194 3.574 0 1 EHAF N[C@]1(c2nc3cccc(Br)c3[nH]2)C[C@@H]1c1ccccc1F 587154104 CVFSJRAGQHLVPZ-QLJPJBMISA-N 346.203 3.806 0 1 EHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cnc3ccccc3c2[nH]1 587174676 LOYYQQQVKDNVAX-OAHLLOKOSA-N 345.381 3.974 0 1 EHAF COc1cc2nc(=S)n(CCc3ccccc3)c(N)c2cc1OC 13571546 DWYUHACDBIUHFA-UHFFFAOYSA-N 341.436 3.608 0 3 EHAF Cc1ccc(Nc2ncnc3c2nnn3CCc2ccccc2)cc1 13778511 RSMJDESZVZQGCC-UHFFFAOYSA-N 330.395 3.516 0 1 EHAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(C(C)C)cc1 169313839 KAPVAOFZIVUJFB-PLHAICQISA-N 325.452 3.849 0 1 EHAF O=C(NCCc1ccccc1Cl)c1cc(-c2ccccc2)ncn1 1857581281 ZTRMNJOOZMCDQY-UHFFFAOYSA-N 337.810 3.770 0 1 EHAF CC[C@]12CCCN[C@@H]1c1c(n(C)c3ccccc13)[C@@H](C(=O)OC)C2 1630800 BOUCDMYOGZRXRQ-BOUXLOLZSA-N 326.440 3.660 0 1 EHAF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](CCC[C@@]1(C)O)C2=O 13322752 CUWBJCBYZZKRQZ-QUSXHRHCSA-N 334.412 3.582 0 1 EHAF biogenic CC(C)(N)CNc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O 13535964 NAXHLQWKWRGFOK-UHFFFAOYSA-N 338.386 3.689 0 1 EHAF COc1ccc(-n2cc3c(n2)c(NC(C)=O)nc2ccccc23)cc1 28710895 ROEZGKWFGFFSDT-UHFFFAOYSA-N 332.363 3.541 0 1 EHAF Clc1ccc2c(-c3ccccc3)cc(N3CCOCC3)nc2n1 32063612 XPBMAEDOYXEOAA-UHFFFAOYSA-N 325.799 3.787 0 1 EHAF Cc1cc2c(s1)c1c(C)nn(Cc3ccc(F)cc3)c(=O)c1n2C 36380673 RIWCEHWIIYMRID-UHFFFAOYSA-N 341.411 3.754 0 1 EHAF Fc1ccc(C(N[C@H]2C[C@@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1 101060910 HKWYFLNOIRZTIH-REPLKXPHSA-N 328.406 3.927 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3c(O)cccc3CC[C@H]21 117622343 OWUJRMORFBUXBC-MAUKXSAKSA-N 347.418 3.603 0 1 EHAF CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)[C@@H]2CCCC[C@H]21 144292554 NEJNZWMONLOGMV-RTBURBONSA-N 331.419 3.664 0 1 EHAF Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c([C@H]5CCCN5)n4)cc23)cc1 166664602 OJZXSLXDZLIMKD-MRXNPFEDSA-N 348.385 3.579 0 1 EHAF Cn1/c(=N/C=C/c2sc3ccccc3[n+]2C)sc2ccccc21 169323925 XWZUOPKPOWUXSZ-UHFFFAOYSA-N 338.481 3.851 0 1 EHAF CCOCc1cc([C@H](O)CNC(C)(C)Cc2ccccc2)ccc1O 169326438 ZNVWPKQNGAEHAC-HXUWFJFHSA-N 343.467 3.573 0 1 EHAF C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3O[C@@]32C)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O 257455762 JMOKYZIRKYSDQA-DHRNXTTOSA-N 334.456 3.578 0 1 EHAF COc1cc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2cc1C 586882588 YWYKIHVIXGSCGZ-UHFFFAOYSA-N 336.391 3.809 0 1 EHAF Oc1c(Br)ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 586903184 NXCISRFADSDIFC-GXFFZTMASA-N 345.196 3.600 0 1 EHAF COc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Cl 586907969 LIWFHBWRKPLGKX-UHFFFAOYSA-N 328.755 3.864 0 1 EHAF Oc1nc2cc3nc(-c4cnc(Cc5ccccc5)s4)[nH]c3cc2[nH]1 587021279 HMQNOMUTNBRTGX-UHFFFAOYSA-N 347.403 3.859 0 1 EHAF COC(=O)c1ccnc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc12 587108845 ALJTWEBEJNWLKA-UHFFFAOYSA-N 339.248 3.569 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2cccnc21 587395812 UHBPRNTWHCTUIV-NRFANRHFSA-N 344.370 3.987 0 1 EHAF CC(=O)Oc1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C 587402268 BBBGQZVRANULNY-SFHVURJKSA-N 339.391 3.826 0 1 EHAF C/C(=C/[C@@]1(c2ccsc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C 587413926 RDLQDDZNCGMSGM-PMTSLALWSA-N 342.464 3.965 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)cc1Cl)[C@@H](C2)C3=O 587417925 FSJYIGAWXTUUHE-SCLBCKFNSA-N 330.767 3.717 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccnc(C(F)(F)F)c1)[C@@H](C2)C3=O 587423875 VXHOPKHRQMJEBA-SJCJKPOMSA-N 349.308 3.772 0 1 EHAF COc1cc2c3c(c1)O[C@H](C(C)(C)CN1CCC[C@@H](C)C1)[C@@H](C2)C3=O 587438551 QFKPGVSROVDHBI-PSGMQZRDSA-N 343.467 3.569 0 1 EHAF N=c1[nH]c2c(s1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587538330 PEGHLEQYLKMHCM-LJQANCHMSA-N 340.448 3.631 0 1 EHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)cc1 587786475 QSHAIFQPPRMQBI-MNOVXSKESA-N 346.308 3.924 0 1 EHAF CCC1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)COC1 587831913 AKNDCXMEHQTUNA-BMIGLBTASA-N 342.252 3.764 0 1 EHAF CC1(C)OCc2c(Nc3c[nH]c4ccccc34)nc(-c3cn[nH]c3)nc21 653708762 RMKXHEPYDGCAAP-UHFFFAOYSA-N 346.394 3.857 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1cccc(-c2nn[nH]n2)c1 963236175 XSGIIUFCOFVRSS-AUUYWEPGSA-N 333.439 3.613 0 1 EHAF COC(=O)[C@@H](C)CCn1c2cc(OC)ccc2c2ccnc(C)c21 1857544011 UKIATPGUBXMJLS-LBPRGKRZSA-N 326.396 3.706 0 1 EHAF c1ccc([C@H]2CC[C@@H](N3CCN(Cc4cccnc4)CC3)CC2)cc1 1857574339 LKLASWHVKBTLFT-SZPZYZBQSA-N 335.495 3.926 0 1 EHAF CC(=CC[C@]1(C)CC[C@H](C(C)(C)O)[C@H]1CCC(=O)O)CCC(=O)O 2356347007 IDHHDXMWDQBKJS-QMTMVMCOSA-N 340.460 3.856 0 1 EHAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](CCC[C@@]1(C)O)C2=O 2356439956 JAUSPTWEASSNRQ-JZOCTASASA-N 348.439 3.972 0 1 EHAF Cc1ccc(C(=O)CN2C=CC(=C3C=CC(N(C)C)C=C3)C=C2)cc1 2356864801 VZRKPGZAQJYNCZ-UHFFFAOYSA-N 332.447 3.874 0 1 EHAF COc1ccc(-c2ccc3n2Cc2cnnn2-c2ccccc2-3)cc1 61943132 UTOTZWLKRQETPI-UHFFFAOYSA-N 328.375 3.773 0 3 EHAF Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)cc1F 1379655 FGLNJZFODHXRAS-KRWDZBQOSA-N 347.434 3.579 0 3 EHAF CC=C1CN2[C@H]3C[C@H]1[C@H](COC(C)=O)[C@H]2Cc1c3[nH]c2ccccc12 2356413312 WNCGZDXLEZTMEA-VUBSUSDNSA-N 336.435 3.595 0 1 EHAF CCN1C(SCc2cccnc2)=NN/C1=C1\C=Nc2ccccc21 104037280 AZWIXYORCCLEGI-ICFOKQHNSA-N 335.436 3.596 0 3 EHAF FC(F)(F)CNCCCOc1cccc(CN2CCCCC2)c1 27721262 DVMMEIQOTXSJOZ-UHFFFAOYSA-N 330.394 3.593 0 1 EHAF COC1=CC(=O)O[C@H](c2coc(C(C)=Cc3ccc(Cl)[nH]3)n2)[C@@H]1C 2356615600 HVDWUEDXQDMWCX-HWPZZCPQSA-N 348.786 3.981 0 1 EHAF N=C(N)CC[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21 38266870 NPHSNVUGSBUBCU-AWEZNQCLSA-N 342.464 3.655 0 1 EHAF Clc1ccc(Oc2cc(OC[C@H]3CCCN3)cnc2Cl)cn1 43059618 ROZDWXUZSYSLTR-SNVBAGLBSA-N 340.210 3.707 0 1 EHAF in-vitro C[C@@H]1CCN1C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144705971 FIERJLCQXGOLMV-ADLMAVQZSA-N 347.336 3.700 0 1 EHAF COc1cc2ncnc(Nc3cccc(O)c3Cl)c2cc1OC 653717876 SNGRUTVDKDUHGF-UHFFFAOYSA-N 331.759 3.750 0 1 EHAF CCOc1n[nH]c(-c2nc3ccc(C)c(C)c3[nH]2)c1Br 586980200 RFCYBOXILJQSPP-UHFFFAOYSA-N 335.205 3.731 0 1 EHAF Cc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)nn1C(F)F 587873558 DUACPHHOHYVOPH-UHFFFAOYSA-N 334.257 3.383 0 1 EHAF C=Cc1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 586880128 CQDNGCKGWOZXLD-UHFFFAOYSA-N 347.159 3.873 0 1 EHAF COc1cc(OC)c2[nH]c(C3CCC(OC[C@H](C)OC)CC3)nc2c1 587951610 HQLSYFOHBCNMNQ-HSBZDZAISA-N 348.443 3.658 0 1 EHAF COc1ccc(/C=C\Cc2nc3cc4c(cc3[nH]2)OCO4)c(OC)c1 587930273 SEFITVSQXOZBRP-ARJAWSKDSA-N 338.363 3.565 0 1 EHAF Cc1cc(F)c2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc2c1 587040274 MLISDSARUGZHNN-LBPRGKRZSA-N 337.420 3.993 0 1 EHAF Cc1cccnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587772633 OTHKUSMHJUHOKV-QFYYESIMSA-N 335.220 3.915 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4nc(Cl)ccc14)[C@@H](C2)C3=O 587422830 VAKGHACJXBHJKK-GTNSWQLSSA-N 340.766 3.714 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc[nH]n3)s1)O2 587409048 FRZDMNVMMBDQRA-CQSZACIVSA-N 325.393 3.735 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3ncc(Cl)cc13)O2 587380862 XMTDTOUPSZSDNI-OAHLLOKOSA-N 327.771 3.813 0 1 EHAF Cc1cnc(Cl)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc12 587041612 NVRIZKSXZMSWDY-OLZOCXBDSA-N 344.871 3.866 0 1 EHAF c1cc2c3c(cc(-c4cc(CN5CCOCC5)cs4)nc3c1)CC2 587359961 KFAYDLOOASHDGP-UHFFFAOYSA-N 336.460 3.894 0 1 EHAF CCOC1CC([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587603087 ZUYLXMBEWMJMNO-MQZWWDQFSA-N 340.375 3.538 0 1 EHAF Cc1ncsc1[C@]1(C)c2cccc(Br)c2CCN1C 963288438 BBDCFBLMMYYJNV-HNNXBMFYSA-N 337.286 3.965 0 1 EHAF COc1ccc([C@@]2(c3cccs3)NCCc3c(C)ccnc32)cc1 963067350 JLWNOOWWUAHRGQ-FQEVSTJZSA-N 336.460 3.898 0 1 EHAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccccc2)cc1 13525154 FSIZMBYSTPBISJ-UHFFFAOYSA-N 332.812 3.596 0 1 EHAF CS(=O)(=O)Nc1ccc(-c2ccc(F)c(F)c2)c2cccnc12 1857600786 UUWUGQGVKVIRST-UHFFFAOYSA-N 334.347 3.552 0 1 EHAF O=c1oc2ccccc2cc1-c1cn2nc(C(F)(F)F)sc2n1 33505392 VDFQUGFOXFWYIF-UHFFFAOYSA-N 337.282 3.583 0 1 EHAF CC[C@@H]1C[C@H]2C[C@H](C(=O)OC)c3[nH]c4ccccc4c3CCN(C2)C1 6412140 OXTRSDFIRKYKEX-VKJFTORMSA-N 340.467 3.719 0 1 EHAF biogenic O[C@@H](CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccs1 13861774 BMCJIJVSZOIIOA-INIZCTEOSA-N 336.888 3.647 0 1 EHAF C[C@H](CC[C@]1(C)C(=O)CC[C@@H]2O[C@@]21C)[C@@H]1C[C@@H](c2ccoc2)OC1=O 14684310 HDASQUSMIJRXPV-STMYVCRLSA-N 346.423 3.827 0 1 EHAF biogenic CC(C)CCn1c(CN2C(=O)C(=O)c3ccccc32)nc2ccccc21 28824389 UBXWDLLYPDXAST-UHFFFAOYSA-N 347.418 3.812 0 1 EHAF C[C@H]1c2ccoc2C[C@H]2[C@H]1CC[C@H]1[C@@](CO)(C(=O)O)CCC[C@]21C 29042433 PGRQEXADGLUWFM-AXOPDJDESA-N 332.440 3.835 0 1 EHAF NCCc1cnc(C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 29411523 WCPVQPRYPPEEPU-UHFFFAOYSA-N 335.495 3.900 0 1 EHAF COc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1OC 43170481 FUHKZRRZPRTHFP-UHFFFAOYSA-N 336.351 3.979 0 1 EHAF C[C@@H]1CN(c2ncnc3c2oc2ccc(Cl)cc23)C[C@@H](C)N1C 49087783 QHJWYUAMRUHBEJ-GHMZBOCLSA-N 330.819 3.558 0 1 EHAF COc1ccc2nc(C)c3c(C)nc(-c4ccccc4OC)n3c2n1 73169860 CEDPQOAAUSEXPN-UHFFFAOYSA-N 334.379 3.579 0 1 EHAF Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1N[C@H](C)c1ccc(F)cc1 82203681 PLFONFJLYFMTGI-RBSFLKMASA-N 344.434 3.711 0 1 EHAF Cc1ncc(CO)c2c(Nc3ccccn3)c(NC(C)(C)C)oc12 95572212 MEZGHWZEMPZWNV-UHFFFAOYSA-N 326.400 3.978 0 1 EHAF CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCCCO2 95590252 TVTANTTXMLBIDA-GOSISDBHSA-N 336.391 3.546 0 1 EHAF C[C@@H](Oc1ccc(CCC(=O)O)cc1)c1nc(-c2cccs2)no1 97166001 NSDMNSNGHATNCO-LLVKDONJSA-N 344.392 3.955 0 1 EHAF C[C@@H](O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118921405 FOTMUZAAVBPQAN-XQKCBIRMSA-N 336.516 3.502 0 1 EHAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)no1 143691412 FTDHOAGOSGYTGE-INIZCTEOSA-N 341.455 3.965 0 1 EHAF Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2CCc1ccccc1 143924291 WAFBRFOKLAXZBX-UHFFFAOYSA-N 349.825 3.972 0 1 EHAF Cc1cc(Oc2cncc(F)c2)cc(C(=O)Nc2cccc(F)n2)n1 148262653 FEZWMODTJDYEGI-UHFFFAOYSA-N 342.305 3.503 0 1 EHAF Cc1ccc(-c2cc3c(=N)n(N)c(=S)[nH]c3n2-c2ccccc2)cc1 169306578 WUJWOGLWWFZVRN-UHFFFAOYSA-N 347.447 3.658 0 1 EHAF Cc1nn(Cc2cccc3cccnc23)c2cc(CC(=O)O)ccc12 205661626 MLBCZWYCVXKRCT-UHFFFAOYSA-N 331.375 3.568 0 1 EHAF C/C=C(\C)C(=O)O[C@@H]1CC[C@H]2Cc3occ(C)c3C[C@@]2(CO)[C@@H]1C 238748401 WQFXWUMJCAMKEK-VKYQJQRMSA-N 332.440 3.589 0 1 EHAF O=C(O)c1cc(F)cc2nc([C@@H]3SCCc4sccc43)[nH]c12 587036418 AOFGHLGWOHHPGE-CYBMUJFWSA-N 334.397 3.840 0 1 EHAF Oc1c(Br)ccc2nc(C(F)(F)c3ccccn3)[nH]c12 587089404 QOIGSVXCNCQJEX-UHFFFAOYSA-N 340.127 3.566 0 1 EHAF CCOC(=O)C(=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098519 YYSDVVAKLHJGMD-UHFFFAOYSA-N 345.354 3.500 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccccc4C)c1)[C@@H](C2)C3=O 587432091 MWSFJVRNZNTPNQ-HRAATJIYSA-N 346.386 3.678 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](CC(=O)OC)[C@@H]1C)CC2=O 587478275 ISGJIUOAIOISDI-KQHSUYLTSA-N 346.423 3.658 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OCC)[nH]1)CC2=O 587480599 DJKLNXZDTOWLNO-QGZVFWFLSA-N 343.379 3.556 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2CCCO[C@@H]2C1(C)C 587485910 KKGGFTXZLAMILJ-HEFCMCLBSA-N 330.424 3.884 0 1 EHAF Cc1coc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774286 LVYMDRUGJRKTRA-UHLUBPPHSA-N 325.181 3.508 0 1 EHAF CC(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814186 RNWPXZDEGVXPGM-QFYYESIMSA-N 342.252 3.953 0 1 EHAF O=C(O)C[C@@H](c1cccc(-c2ccncc2F)c1)c1nccs1 1772571379 DCTHFYVZYXRXJR-AWEZNQCLSA-N 328.368 3.951 0 1 EHAF CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/C(=O)N[C@H]1CCCCNC1=O 34647181 ZVDZALYKOIJILQ-MDSQMZSPSA-N 346.515 3.880 0 3 EHAF CSc1ncnc2c1ncn2CCCNc1ccc(C)c(C)c1 61922488 UEVRNGBZAPOKGR-UHFFFAOYSA-N 327.457 3.667 0 3 EHAF O=C(O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)s1 1534758 IANOEARWEWNMSC-UHFFFAOYSA-N 342.372 3.626 0 1 EHAF CCN(CC)CCC[C@@H](C)N1C(=O)c2cccc3cccc(c23)C1=O 5846923 LAMBHRQEQCOCDW-OAHLLOKOSA-N 338.451 3.946 0 1 EHAF COc1ccccc1Cc1ccc2c(c1O)C(=O)c1c(O)cccc1C2 13736917 BPWAUIILLPPHPP-UHFFFAOYSA-N 346.382 3.832 0 1 EHAF CN(C)[C@H](c1ccccn1)C1CCC(CNC(=O)C2CCCC2)CC1 19581608 XMTNOSDZYDYGKA-UHYCVJNDSA-N 343.515 3.797 0 1 EHAF O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc([C@@H]2CCCN2)s1 23192643 BBGIKLCBJQLIBQ-ZDUSSCGKSA-N 338.436 3.815 0 1 EHAF O[C@](Cn1ccnc1)(c1ccccc1)c1ccc(-c2ccncc2)cc1 26848725 JDLZBBMNVPQSSQ-JOCHJYFZSA-N 341.414 3.881 0 1 EHAF Cc1ccc2c(c1)c(=O)cc(-c1cc(Br)ccc1O)n2C 40974672 WRXMCKCJHKGKDF-UHFFFAOYSA-N 344.208 3.982 0 1 EHAF COC(=O)Cn1nc(-c2ccc(C(F)(F)F)cc2)c2ccccc21 95771563 ZXSUOQIHGUOQKC-UHFFFAOYSA-N 334.297 3.895 0 1 EHAF CCOC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc3c(ccn3CC)c1)N2C 100875652 CVPBQVINTITVFJ-QGZVKYPTSA-N 340.467 3.791 0 1 EHAF Cc1ccc([C@H](C)N2CC[C@]3(CCCC4(C3)OCCO4)OC2=O)cc1 142703234 CAQDIRWACNCJMG-LPHOPBHVSA-N 345.439 3.954 0 1 EHAF C[C@H]1C[C@@H]2CCC[C@@H]2[C@@]2(O1)C(=O)Nc1cccc(Br)c12 169355908 PPUCNCZUATVEEY-YPIXOSSWSA-N 336.229 3.822 0 1 EHAF CN1C(=O)[C@H](c2ccc(C#Cc3ccccc3)cn2)[C@@H]2CCCC[C@@H]21 204680717 OFHHFXKOVBOQJU-GIVPXCGWSA-N 330.431 3.596 0 1 EHAF CN1c2ccccc2C(=S)N2CCn3c(cc4cc(F)ccc43)[C@@H]21 222001738 QBLVXBREJROPFW-GOSISDBHSA-N 337.423 3.920 0 1 EHAF Cc1cc2c3cccnc3cc(CCc3nc4ccccc4n3C)n2n1 299825771 FRQUJSFXORWQHN-UHFFFAOYSA-N 341.418 3.863 0 1 EHAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4CCOC4)[nH]c3c2)cc1 586912959 YNAUVNORFGUTNW-ZDUSSCGKSA-N 338.363 3.646 0 1 EHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587071173 XAWOAXUYDRUCTI-SECBINFHSA-N 339.748 3.919 0 1 EHAF COc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1C 587091580 LRJPKLOFOPGXBR-UHFFFAOYSA-N 337.301 3.883 0 1 EHAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587119156 ZDSUTWSLDACLTG-UHFFFAOYSA-N 336.104 3.684 0 1 EHAF CC(C)OC(=O)C1(c2nc3ccc4ncccc4c3[nH]2)CC(F)(F)C1 587131434 HQLPVGRXCOENNZ-UHFFFAOYSA-N 345.349 3.730 0 1 EHAF Cc1cc(Br)c(-c2nc3ccc(CO)cc3[nH]2)cc1F 587137916 SFHJSLVKMJWRNC-UHFFFAOYSA-N 335.176 3.932 0 1 EHAF C[C@@]1(c2nc3cc(Cl)cnc3[nH]2)C=C(c2ccccc2F)NO1 587154405 FDNGOACPVQHNOU-INIZCTEOSA-N 330.750 3.542 0 1 EHAF COc1ncc(F)cc1-c1nc2cc(Br)c(C)cc2[nH]1 587175722 FXDBUMXNQAIIHN-UHFFFAOYSA-N 336.164 3.844 0 1 EHAF O=C1Nc2ccccc2[C@]12CCc1nc3cccc4c3c(c1C2)CC4 587212280 ROEXZZCRFQGDEC-JOCHJYFZSA-N 326.399 3.712 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccccc3C)c1)O2 587392366 SZCNQDOJORLQNK-LJQANCHMSA-N 333.391 3.778 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccccc1Br)[C@@H](C2)C3=O 587413779 QEHNPLNWKCDHII-YVEFUNNKSA-N 345.192 3.946 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1nc4cc(C)ccn4c1C)[C@@H](C2)C3=O 587437412 ZUDLFSUMVMJQCS-YCRPNKLZSA-N 348.402 3.623 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)O)c(F)c1)CC2=O 587465155 BHDZZXXWRTUCJT-QGZVFWFLSA-N 344.338 3.889 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3[nH]c(=N)oc3c1)CC2=O 587468218 BXXPFRHEUCSXNB-MRXNPFEDSA-N 338.363 3.605 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1[C@H](C)OCC)CC2=O 587479914 VIBWZCACPXJAHI-SGTLLEGYSA-N 344.411 3.803 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@@H](C2(C)C)[C@]1(C)O 587491961 XUXFVBNOJQTQKE-IWBOJGSISA-N 344.451 3.866 0 1 EHAF Cc1ncccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587767850 BKSGYABPQUOSBV-ABKXIKBNSA-N 335.220 3.915 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCn3cccc32)N1 587768960 FHGXBGQVXVSPHX-PIGZYNQJSA-N 349.247 3.961 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCCO)N1 587824370 BGPQZSBBJLZZSU-ZUZCIYMTSA-N 330.241 3.500 0 1 EHAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(C(F)(F)F)cnc4[nH]1)(C3)C2 587969414 PCPFPMBERVVFHT-VWJBHBPUSA-N 335.329 3.624 0 1 EHAF COc1cc2c(cc1OC)[C@H](c1c(N)cc(F)cc1F)N(C)[C@H](C)C2 962643695 XSKRLVXIEIOVSK-GIGQVBGESA-N 348.393 3.530 0 1 EHAF CCCSc1ccc2nc(NC(=O)OCC3(C)COC3)[nH]c2c1 1857773622 AVEZCDNZZJILGC-UHFFFAOYSA-N 335.429 3.650 0 1 EHAF O=C(O)CCC(=O)OCc1c(-c2ccccc2)ncc2ccccc12 36388729 DTEVBPJAMZJKBU-UHFFFAOYSA-N 335.359 3.810 0 3 EHAF CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cccc(F)c1 2468546 ITSLHTUINUQDCU-BEFAXECRSA-N 342.370 3.994 0 3 EHAF O[C@]1(Cc2ccc(Cl)cc2)c2ccccc2C2=NCCCCN21 28954302 DZOYYOBFPTZTLD-LJQANCHMSA-N 326.827 3.584 0 1 EHAF O=C(O)c1nn(-c2ccccc2)c(O)c1/C=C1\C=Nc2ccccc21 33293410 IPYNWAJBDQOCAO-ZRDIBKRKSA-N 331.331 3.533 0 1 EHAF COC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 84712897 QYQDMJUWMQNXIE-UHFFFAOYSA-N 345.449 3.849 0 1 EHAF Cc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccco2)oc1C 82165664 JOJIKRIDKFQPSS-ZDUSSCGKSA-N 340.383 3.599 0 1 EHAF C/C(=C/CC/C(=C\CC/C(C)=C/CCC1=CC(=O)OC1)C(=O)O)CO 238776338 ADBUIFPZNQVMPU-SQKDFXMFSA-N 348.439 3.706 0 1 EHAF CC1=CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O 39560274 OFZLWKQJQGKQGV-BNFFSSTCSA-N 338.488 3.618 0 1 EHAF biogenic 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C[C@]1(c2cccc3[nH]c(=N)oc23)CC(=O)c2ccc3c(c2O1)CCCC3 587512288 WMYNWKOJQIBFFH-OAQYLSRUSA-N 348.402 4.000 0 1 EHAF C=CN1CC[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C1=O 587104369 GNTWNQWQCLEOGQ-OAHLLOKOSA-N 340.382 3.906 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccnc1C(F)(F)F)[C@@H](C2)C3=O 587421541 LRZDAJLCJBIMQG-NHYWBVRUSA-N 335.281 3.598 0 1 EHAF C=CC(=O)NC(C)(C)C[C@@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963102160 KHZLFSMXBAUQMI-UZLBHIALSA-N 330.447 3.532 0 1 EHAF COCCN(C)C(=O)c1sc(-c2cccc3ccccc23)nc1C 1772647465 LXMNDAHJOCFXAI-UHFFFAOYSA-N 340.448 3.990 0 1 EHAF Cc1cc(C)cc(NC(=O)NCc2ccc(Cc3c[nH]cn3)cc2)c1 13439945 QUBQIVDGWLCDHK-UHFFFAOYSA-N 334.423 3.939 0 1 EHAF Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)csc3c2F)cc(C)n1 13832973 NZVYAFRANYVKLS-UHFFFAOYSA-N 347.342 3.917 0 1 EHAF C[C@H]1CN(C[C@H](O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 13833025 UJTGLABUUULACG-ORYQWCPZSA-N 325.452 3.725 0 1 EHAF CC/C=C\C/C=C\C[C@H](O)[C@H](O)/C=C/[C@@H]1C/C=C\CCCC(=O)O1 14768275 OIBRTSVGCWTYLU-VYXNFCKLSA-N 334.456 3.609 0 1 EHAF 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C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccns2)N1 587856563 ISWBVUGOKGYJLU-CPFSXVBKSA-N 327.222 3.668 0 1 EHAF CCc1nn2cc(-c3nc4ccc(OCC5CC5)cc4o3)nc2s1 653775778 DDVKWQJCNUIQJE-UHFFFAOYSA-N 340.408 3.950 0 1 EHAF CON/C(=C/Br)c1sc(-c2ccccc2)nc1C 958043815 AXCXQGJQKJTHNQ-DHZHZOJOSA-N 325.231 3.963 0 1 EHAF COc1cc(C)c([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1C 963634148 JUIAGZTWMDQQES-QKKBWIMNSA-N 341.451 3.953 0 1 EHAF CC[C@@H](O)CCCCCC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1C 1857639026 CJSSSEJSBABUJE-CGXNFDGLSA-N 333.516 3.774 0 1 EHAF CC(C)O[C@H]1OC(=O)C(Cl)=C1Nc1ccc(Br)cc1 1857768785 BWVCAIIMNFZNFU-ZDUSSCGKSA-N 346.608 3.619 0 1 EHAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1cccc(SC)c1 2356552634 XWLRIWWRWZXNSY-DZKIICNBSA-N 333.501 3.650 0 1 EHAF CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)C2=O 2356640296 VUAJCLNFGUYDIL-QKLQHJQFSA-N 328.408 3.701 0 1 EHAF CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccccc1F 427465 LPWUSIYEGWLMLK-LIRRHRJNSA-N 342.370 3.994 0 1 EHAF C[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)CC1=O 101194512 JGGKOMOQMSZYOH-ROZPXGAXSA-N 339.479 3.676 0 1 EHAF COc1ccccc1C1CCN(CC(=O)Nc2cccc(C)c2)CC1 28604403 WNDADDXKRMDNSK-UHFFFAOYSA-N 338.451 3.822 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13C[C@H]4[C@@H](C[C@H]21)[C@@]4(C)C3 2356587257 FHAKHBBLAZVFBS-NWLMFXIXSA-N 332.484 3.789 0 1 EHAF CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C(=O)O)CCC[C@@]1(C)C(=O)O 2356673573 PNWSAUSJYHVEQY-NSISKUIASA-N 330.424 3.970 0 1 EHAF C[C@H]1CCCN(c2ncnc3[nH]cc(-c4cccc5[nH]ncc45)c23)C1 210709936 BVJKIJWYMMWEGO-LBPRGKRZSA-N 332.411 3.738 0 1 EHAF COc1ccc2c(c1O)Oc1c(OC)ccc(CCN(C)C)c1C=C2 14694863 OARVGWWKCPQJCG-UHFFFAOYSA-N 341.407 3.790 0 1 EHAF biogenic CCOC(=O)c1c(OC2CCCCCCC2)c(CC)c(C)[nH]c1=O 42887611 ILERMCUNHNBYOS-UHFFFAOYSA-N 335.444 3.914 0 1 EHAF COc1ccc2nc(NCc3cc4c(cc3Cl)OCO4)[nH]c2c1 40897130 KSNHCWSTMZZPQQ-UHFFFAOYSA-N 331.759 3.566 0 1 EHAF CC(C)(Oc1ccccc1)c1nn2c(-c3ccoc3)nnc2s1 40973515 HRMDUTFSYUNLSR-UHFFFAOYSA-N 326.381 3.760 0 1 EHAF CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(OC)c1 95582738 GJRIGACGWLYZAO-UHFFFAOYSA-N 341.451 3.753 0 1 EHAF in-vitro O=C(O)c1cc(-c2ccccc2)cc2nn(Cc3ccncc3)cc12 95584799 MKQXBSXVVRJOPL-UHFFFAOYSA-N 329.359 3.845 0 1 EHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(C)c(OC)cc3[nH]2)cc1 587785387 NYWVHRHMLPQGDE-LSDHHAIUSA-N 336.391 3.823 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)cc(C(=O)O)cc1C)O2 587408992 SJUMLMUWILQTLK-INIZCTEOSA-N 325.364 3.599 0 1 EHAF Cc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587773318 QLDRYVVHOVBMHX-MGPLVRAMSA-N 335.220 3.915 0 1 EHAF CCCC(Br)(CCC)c1nc2cc(N)c(N)cc2[nH]1 586970235 CDKDRQOKBMUFDC-UHFFFAOYSA-N 325.254 3.918 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(CCc3scnc3C)nc2c1 587026951 KTSQMJNLVXNRQQ-UHFFFAOYSA-N 335.816 3.553 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)c4ccc(F)cc14)[C@@H](C2)C3=O 587428448 ORKIRKWGMQNFCL-VBKZILBWSA-N 337.350 3.815 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1c1ccccn1)[C@@H](C2)C3=O 587435163 DHSPRARAHGJISI-XFQAVAEZSA-N 335.403 3.934 0 1 EHAF CCCn1nc(C2CC2)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587393216 ZUQAETREJYFKBU-SFHVURJKSA-N 325.412 3.768 0 1 EHAF CCCc1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)N[C@H]1CCOC1=O 587643485 UQKMFVGYDDOYSR-SJCJKPOMSA-N 342.439 3.679 0 1 EHAF Clc1cnn2c(-c3nc4ccncc4[nH]3)cc(-c3ccccc3)nc12 587081303 MZBOYJKLFYMWOQ-UHFFFAOYSA-N 346.781 3.988 0 1 EHAF Fc1cc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2cc1-n1cccn1 587176473 LYVXNJJEXIXZAD-UHFFFAOYSA-N 336.305 3.570 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c4cccnc14)[C@@H](C2)C3=O 587427673 KJRWXLUBXJXMNI-XOBRGWDASA-N 335.334 3.871 0 1 EHAF O=C(Nc1ccc(CCO)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587875656 TZSIJLCJUCYEJE-UHFFFAOYSA-N 339.326 3.410 0 1 EHAF NC(=O)Nc1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 587244123 WYVPMTGVWIFTHW-UHFFFAOYSA-N 349.163 3.622 0 1 EHAF COc1nc(N2CCCC2)ccc1[C@@H]1NCCc2c1sc(C)c2C 963019397 GWPDKNKNYFCFJO-KRWDZBQOSA-N 343.496 3.604 0 1 EHAF CN(C)C(=S)Oc1ccc([C@@H]2NCCc3cc(Cl)ccc32)cc1 963389899 DIOZSFVDPBWRSW-KRWDZBQOSA-N 346.883 3.800 0 1 EHAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(C(C)(C)C)nn12 1772637398 SBRGYYKOTCDKPC-UHFFFAOYSA-N 346.818 3.537 0 1 EHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](NCc1ccccc1)CC(C)(C)O2 5069534 CDBQPQDVKOLFAO-SFHVURJKSA-N 338.451 3.780 0 1 EHAF CC(C)(Oc1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)O 13649339 GBHIHFITGUKIBI-UHFFFAOYSA-N 347.798 3.763 0 1 EHAF C[C@@H]1CCCN1CCc1cc2cc(CNc3cnccn3)ccc2o1 13674343 JFYPHMTWSNCWID-OAHLLOKOSA-N 336.439 3.862 0 1 EHAF O=C1O[C@H](c2ccccc2Cl)CN1c1ccc2c(c1)CNCC2 169347331 QXOOGSGQUJQVAZ-KRWDZBQOSA-N 328.799 3.684 0 1 EHAF CNc1nc(Nc2ccc(-c3cnoc3)cc2OC)ncc1Cl 169704327 PDTNPGWRLYCRKE-UHFFFAOYSA-N 331.763 3.579 0 1 EHAF COC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)c(OC)c1 1857553849 XFNBABHBTIKBCZ-INIZCTEOSA-N 340.379 3.621 0 1 EHAF CC(C)[C@@H](CC1CCCCC1)NC(=O)[C@H]1Cc2ccc(F)cc2CN1 1857634474 WCYXBMFWVFXAKQ-WOJBJXKFSA-N 346.490 3.951 0 1 EHAF Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCS4)C1=O 13834035 LGFXCBJGYUAXAM-CYBMUJFWSA-N 337.448 3.697 0 1 EHAF CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)OC/C(=C\CO)CC[C@H]1O 33829928 XRDHAXIOHKTIGF-YEVWBXQCSA-N 338.488 3.567 0 1 EHAF COc1ccc2c(c1)c(C1(CNC(=O)C3CCC3)CCC1)cn2C 35949652 GKMMKPYQCIXAQV-UHFFFAOYSA-N 326.440 3.525 0 1 EHAF Clc1cc(CCN2CCN(c3ccccc3)CC2)cc2[nH]cnc12 40939895 CJXJDSLDIVGNBF-UHFFFAOYSA-N 340.858 3.581 0 1 EHAF Cc1cccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc12 40973307 YOBDFIURFUMRCS-UHFFFAOYSA-N 333.391 3.537 0 1 EHAF O=C(Nc1ccc(Oc2cccc3[nH]c(=O)[nH]c23)cc1)c1ccccc1 45335463 VWKVGJQAFYMILK-UHFFFAOYSA-N 345.358 3.901 0 1 EHAF CCOc1ccccc1-c1nc(C(=O)OCC(C)(C)N(C)C)cs1 82075143 VKBFXGSTZYQXSO-UHFFFAOYSA-N 348.468 3.706 0 1 EHAF CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2n1C1CCCC1 84564612 SUNLCLCYSNLSKY-UHFFFAOYSA-N 333.240 3.862 0 1 EHAF COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 103215755 MIZWBLAYAFVOAR-QAPCUYQASA-N 333.472 3.693 0 1 EHAF O=C1Cc2cc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)ccc2N1 117628513 USPJDSYXZNVGCH-ICSRJNTNSA-N 346.430 3.516 0 1 EHAF COC(=O)c1c[nH]n2c(NC3CCCC3)c(-c3ccc(C)cc3)nc12 138447186 BAKFAUYXPIKQIC-UHFFFAOYSA-N 338.411 3.779 0 1 EHAF Cc1nc2ccc(C(C)C)nc2n2c(-c3cc(O)ccc3F)nnc12 145724901 WNHVXXRODSTYDN-UHFFFAOYSA-N 337.358 3.616 0 1 EHAF O=C(O)c1ccnc(-c2cn(C[C@@H]3CCCc4ccccc43)cn2)c1 225942327 XHNIEVIJHDHWDQ-INIZCTEOSA-N 333.391 3.763 0 1 EHAF CC(C)c1ccc2c(c1O)CC[C@@H]1[C@]2(C)C[C@@H](O)C[C@@]1(C)C(=O)O 238767441 FISWABMBZRVIKJ-DJGFWBNSSA-N 332.440 3.581 0 1 EHAF O=c1[nH]c2ccc(Br)cc2nc1/C=C/c1ccc(O)cc1 473104157 OOZHGBPAGXHSLW-XVNBXDOJSA-N 343.180 3.562 0 1 EHAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CC3OCCO3)nc2c1 586908365 NXHHQDHQIWFHGJ-UHFFFAOYSA-N 340.223 3.516 0 1 EHAF FC(F)(F)Oc1cccc(CSCc2nc3cnncc3[nH]2)c1 587121739 FPFXTYLLXXLJGM-UHFFFAOYSA-N 340.330 3.685 0 1 EHAF COc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 587134243 KXPDTERXVZQSFJ-DUXPYHPUSA-N 341.239 3.832 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)c(F)c(O)c(F)c1F)O2 587382714 UFJAUVSEDROONM-VIFPVBQESA-N 341.260 3.546 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C)C(=O)O)(c1ccccc1)O2 587407339 ILJRABMBDVOIFF-XCLFUZPHSA-N 339.391 3.549 0 1 EHAF CC[C@]1(c2ccc(O)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425690 GNFVWQQCDJRIQZ-BFUOFWGJSA-N 328.339 3.593 0 1 EHAF CCCC(=O)O[C@@H](C)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587482811 JNLGLCSRJXPMLP-BUXKBTBVSA-N 334.412 3.800 0 1 EHAF CN(C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C 587509507 ZNKMYMMSWXUYTJ-AWEZNQCLSA-N 345.439 3.766 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2N)N1 587746838 IFPSMCYGCMSCEA-BMLIUANNSA-N 349.247 3.968 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCCO)N1 587827457 PBHHKBUHOPEBSS-ZUZCIYMTSA-N 330.241 3.500 0 1 EHAF C[C@]1(O)C[C@](c2ccc(C(F)(F)F)cc2)([C@H](O)c2ccccn2)C1 653816470 RJTGEHOPZUVBMZ-BRWVUGGUSA-N 337.341 3.617 0 1 EHAF C[C@@]1(Cc2ccccn2)NC2(CC2)Cc2ccc(Br)cc21 961613097 GHPAMQTXIZNKQR-KRWDZBQOSA-N 343.268 3.980 0 1 EHAF CC[C@@]1(c2ccncc2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962620320 GAJXIJZWWIYCTF-VBKZILBWSA-N 326.440 3.629 0 1 EHAF CC(C)(C)OC(=O)c1ccc([C@H]2NCCc3ccc(O)cc32)cc1 963344156 ZNYGXBDAJJXRGY-GOSISDBHSA-N 325.408 3.583 0 1 EHAF CNc1cccc(-c2nc(NCc3c(F)cccc3Cl)n[nH]2)c1 1772648641 ISPQNYIDKVVKFT-UHFFFAOYSA-N 331.782 3.918 0 1 EHAF C[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(F)cc3)=NN2C1=O 1857746309 SIPQOEKTGLDIQD-HWPZZCPQSA-N 344.773 3.938 0 1 EHAF Clc1cccc(-c2cnc3n2C[C@@H](CNC2CCCC2)OC3)c1 2356302496 WWUFDKIQLWFTDH-MRXNPFEDSA-N 331.847 3.635 0 1 EHAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@H]1CCOC(C)=O 2356636424 HZUGAURVSZWUCX-OXQOHEQNSA-N 338.451 3.987 0 1 EHAF O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ncc[nH]2)C1 12305488 ZMNQQLUVQRJHRI-ZDUSSCGKSA-N 337.345 3.523 0 3 EHAF COc1ccc2cc(-c3[nH]ncc3CNC[C@@H]3CCCO3)ccc2c1 13636627 JNMIPFFPIJQTPF-IBGZPJMESA-N 337.423 3.507 0 3 EHAF COc1c(C)cc([C@H](O)c2nc(-c3ccccc3F)c[nH]2)cc1C 61902711 CVMUNIOORSYFKA-KRWDZBQOSA-N 326.371 3.923 0 3 EHAF COc1cccc(NC(=O)[C@]2(C)CCN2C(=O)CCC2CCCC2)c1 61903831 OKVUWFBCCYRGKY-FQEVSTJZSA-N 344.455 3.595 0 3 EHAF CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 13370732 DBPWSSGDRRHUNT-YQPXSLGVSA-N 330.468 3.838 0 1 EHAF 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Nc1ccc(F)c(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587140813 GLBUZAXVYTVQIJ-UHFFFAOYSA-N 347.397 3.706 0 1 EHAF O=C(CCc1nc2cnc3ccccc3c2[nH]1)Nc1cccc(F)c1 587163976 WQGYKGJFUJYKPN-UHFFFAOYSA-N 334.354 3.822 0 1 EHAF COCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345780 GPIUTCUSRBWIQD-HKUYNNGSSA-N 330.355 3.685 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nc3ccc(Cl)cn13)O2 587383477 XJCISXOQXNAQSE-OAHLLOKOSA-N 341.798 3.893 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(N)sc3c1CCC3)O2 587413365 HFLJHDDTCKNBMF-GOSISDBHSA-N 328.437 3.590 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CC)(c1c(C)nn(C)c1C)CC2=O 587475275 KZPAZXRQLCDYJU-HXUWFJFHSA-N 342.439 3.966 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)OC(C)(C)C)CC2=O 587485659 QFELSVLBOPWETN-IBGZPJMESA-N 334.412 3.800 0 1 EHAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC[C@H]1CC(C(=O)O)C2 587491902 WYNQDOQXEXQGLB-ZLHLQJQBSA-N 344.407 3.570 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@@H](OC)c1cncs1)CC2=O 587496712 STGQQTNYAHGQFG-WMLDXEAASA-N 333.409 3.523 0 1 EHAF COc1cncc2nc(COc3cccc(OCC(C)C)c3)[nH]c12 587566191 ZWRSFMVMKMXDFY-UHFFFAOYSA-N 327.384 3.580 0 1 EHAF CSCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612256 IZUMUQGHQZKPDK-MAUKXSAKSA-N 330.405 3.866 0 1 EHAF CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(F)(F)F 587629123 VHZPITYTMWHJIC-UHFFFAOYSA-N 337.656 3.882 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2OC2(C)C)N1 587828830 AANOFBBIAFVXAU-YVILZHTOSA-N 328.225 3.515 0 1 EHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H]([C@@H]2C[C@H]2c2ccccc2)N1 963222396 KNIUKJDLBARZQX-IAECCPNBSA-N 344.414 3.679 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc(S(C)(=O)=O)s1 963244223 VKZKWUAPYSIKJL-FZKQIMNGSA-N 349.521 3.898 0 1 EHAF O=C(c1ccc(F)c(O)c1)c1ccc(-c2ccc(O)c(F)c2)cn1 1772581755 LFQXAVZIVVNJHJ-UHFFFAOYSA-N 327.286 3.669 0 1 EHAF C[C@@H](NC(=O)N1C(=O)C[C@H]1Sc1ccccc1F)c1ccccc1 1857548453 KMQFJQNAKXNSSS-SJKOYZFVSA-N 344.411 3.947 0 1 EHAF CN(C)S(=O)(=O)c1ccc(/C=C/c2nc3ccccc3s2)cc1 1857656918 LCDKVWWKEQVFGA-FMIVXFBMSA-N 344.461 3.717 0 1 EHAF COc1ccc(-c2cc(C(C)=O)ccc2OCc2ccncn2)cc1 1857764440 WZSXQFZBXAKHCA-UHFFFAOYSA-N 334.375 3.934 0 1 EHAF COc1ccc(C=CC(=O)OC[C@H]2CCCN3CCCC[C@H]23)cc1 2356640397 ADEAJUYOXKASHF-IEBWSBKVSA-N 329.440 3.516 0 1 EHAF CC(C)C[C@H](C(=O)N(C)C[C@@H]1CCCN2CCCC[C@@H]12)n1cccc1 2356761500 MFDNVVHRBFBNBY-SLFFLAALSA-N 345.531 3.798 0 1 EHAF O=c1oc2cc(O)ccc2cc1-c1nnc(Nc2ccccc2)s1 1658183 LRYCUWYGEKEXQJ-UHFFFAOYSA-N 337.360 3.761 0 1 EHAF O=c1c(-c2ccccc2)nccn1[C@H](CN1CCCC1)c1ccccc1 13488432 OCWVGZOWVIJLAB-HXUWFJFHSA-N 345.446 3.596 0 1 EHAF CNc1nc(Nc2ccc(-c3cnco3)cc2)nc(-c2ccccc2)n1 13490405 HMUXKXVYTIQXSJ-UHFFFAOYSA-N 344.378 3.979 0 1 EHAF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCC1=CC(=O)O[C@@H]1O 14619728 DCIOTTDWBVOPEI-XUMLPFHTSA-N 332.440 3.546 0 1 EHAF biogenic COc1cc(C[C@@H](C)[C@@H](C)C(=O)c2ccc3c(c2)OCO3)ccc1O 14646502 ZKPRUPNPBRCANP-CHWSQXEVSA-N 342.391 3.827 0 1 EHAF biogenic CC(C)c1ccc(Cc2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 26653192 HOAOPUWULZLINU-UHFFFAOYSA-N 340.419 3.656 0 1 EHAF C[C@H]1CC(=O)NN=C1c1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1 27201714 MVLVRFZXYXFSCK-QMMMGPOBSA-N 344.827 3.805 0 1 EHAF C(=C/c1ccccc1OCCCCN1CCNCC1)\c1ccccc1 27728809 ABGQRPBYFHTSGP-OUKQBFOZSA-N 336.479 3.921 0 1 EHAF CCCC[C@@H](Cc1scnc1C(=O)Nc1nccs1)OC 28460139 FRAMAXONEGYTOP-JTQLQIEISA-N 325.459 3.600 0 1 EHAF CCN(CC)C(=O)[C@@H]1CCCc2c1c1c(OC)cccc1n2CCF 73198864 ZVDVQPLDTTXLKI-CQSZACIVSA-N 346.446 3.908 0 1 EHAF C[C@@H]1CCCC[C@@H]1N(C(=O)c1cc(C2CC2)on1)C1CCOCC1 73257559 GRIJGLMNIRAJPK-DYVFJYSZSA-N 332.444 3.752 0 1 EHAF COc1ccc(OC)c([C@@H](O)c2ncc(-c3ccc(Cl)cc3)[nH]2)c1 82082146 RROXUYPBGRBKTA-QGZVFWFLSA-N 344.798 3.829 0 1 EHAF Cc1ccnc(SCc2cc(=O)c(OCc3ccccc3)co2)n1 95575618 HOYLRFRDUCXCIF-UHFFFAOYSA-N 340.404 3.610 0 1 EHAF CCSCCOc1cc(OC)ccc1-c1nc2cc[nH]cc-2n1 100966076 MRIAYVSGHPPBRR-UHFFFAOYSA-N 329.425 3.717 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H]1[S@@]2=O 101085758 MIMHZFDDUBVDSD-PXLOEKFMSA-N 347.263 3.550 0 1 EHAF O=C(c1ccccc1)N1CCc2ncc(OCc3ccccc3)cc2C1 141982061 GGWMRFBKGOCBLE-UHFFFAOYSA-N 344.414 3.859 0 1 EHAF Cn1cc(-c2noc(CCN[C@H]3CC[C@@H](C)CC3)n2)c2ccccc21 166751648 ONGZLIGXZCPVTN-SHTZXODSSA-N 338.455 3.939 0 1 EHAF C[Si](C)(C)c1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1 203832051 ACRMMCGSOUYBCS-UHFFFAOYSA-N 335.405 3.960 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@@H](O)c4ccccc43)nc2c1 586903480 PORKGOGDDBZWNS-SWLSCSKDSA-N 342.782 3.572 0 1 EHAF COC(=O)c1ccnc2[nH]c(CCSCc3ccc(C)cc3)nc12 586970259 CMRLYVASFORGRW-UHFFFAOYSA-N 341.436 3.529 0 1 EHAF CCC1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)COC1 586990028 CHFYWEXXOALEAI-UHFFFAOYSA-N 331.371 3.830 0 1 EHAF CCO[C@@H](C)c1nc(C)c(-c2nc3cccc(C(=O)O)c3[nH]2)s1 587014857 RVADILAPZUTQKL-VIFPVBQESA-N 331.397 3.791 0 1 EHAF Cc1cnc(Cl)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc12 587091576 LNNSOVOOIBGJKL-UHFFFAOYSA-N 342.708 3.923 0 1 EHAF C[C@H](c1nc2cccc(C(N)=O)c2[nH]1)c1ccccc1C(F)(F)F 587097873 LHUFGOXAHKHSKY-VIFPVBQESA-N 333.313 3.832 0 1 EHAF CC(=O)O[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587105869 BDTDTVVYICLCCE-ZDUSSCGKSA-N 343.382 3.867 0 1 EHAF C[C@@H](F)[C@H](N)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587122994 HFOMMDBJDMNDOH-MOFOKWOHSA-N 340.118 3.702 0 1 EHAF O=C(c1nc2ncc(F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132610 GKBHKNONFYNLBB-UHFFFAOYSA-N 328.105 3.774 0 1 EHAF COc1cncc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587224129 DZCCFIGEKKGROG-CQSZACIVSA-N 346.431 3.723 0 1 EHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cnccc3[nH]2)c1 587242379 ULLZOGLORUVLEG-UHFFFAOYSA-N 326.356 3.678 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3[nH]nc(Cl)c3c1)O2 587380289 CQFGJHVWCJVYAQ-OAHLLOKOSA-N 327.771 3.813 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCOCc1ccccc1)O2 587401490 RIJRNKREEUTXSI-HXUWFJFHSA-N 325.408 3.908 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3ccc(C)cc3c1=O)O2 587407352 HGHZPWWJGUTQCM-GOSISDBHSA-N 335.359 3.699 0 1 EHAF COCC[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595557 KQLLXLQGAKYGEL-YLJYHZDGSA-N 342.391 3.785 0 1 EHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1ccc(F)c(F)c1 587649344 ICOUXKXPWZPECM-UHFFFAOYSA-N 335.375 3.749 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C)nc(SC)n1 587873231 WMKRCPVFFGNZDR-UHFFFAOYSA-N 344.415 3.897 0 1 EHAF COc1cc(C(C)(C)C)ccc1C(=O)Nc1ccc(CC(=O)O)cc1 1857650433 ANKVHMJEAQCCFP-UHFFFAOYSA-N 341.407 3.872 0 1 EHAF C[C@@H]1Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2C1(C)C 2356707187 JQTDISRMTYKTTQ-JTQLQIEISA-N 338.359 3.930 0 1 EHAF COC(=O)Cc1nc(NCc2ccccc2)c2c(C)c(C)sc2n1 221490 FGULXTPITRZPNC-UHFFFAOYSA-N 341.436 3.636 0 1 EHAF C[C@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 105481257 STDMHHFEFLFPDE-WBHUJUFNSA-N 330.387 3.948 0 1 EHAF C[C@@H](Cc1ccc2c(c1)OCO2)c1nc2c(cnn2C2CCCC2)[nH]1 20864480 WMGMHMBREHXGNW-LBPRGKRZSA-N 338.411 3.949 0 1 EHAF CN1[C@H]2CC[C@@H]1CC(OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C2 29462974 BVCZZYXMKXEVPJ-MZBDJJRSSA-N 337.847 3.666 0 1 EHAF CC1=CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O 39560273 OFZLWKQJQGKQGV-GIIJJGLBSA-N 338.488 3.618 0 1 EHAF CC1(C)C(C(=O)c2cn(CC3OCCO3)c3ccccc23)C1(C)C 45256282 OLJWQVYPTVQZJK-UHFFFAOYSA-N 327.424 3.879 0 1 EHAF CC(C)(CO)NC(=O)c1cc(-c2cccc(Cl)c2)c(Cl)cn1 149227968 BWYLOZHTQILLRJ-UHFFFAOYSA-N 339.222 3.556 0 1 EHAF COc1ccc(C)n2nc(CCc3ccc4cc(F)ccc4n3)nc12 144475118 UWQBRNLTAQDTSL-UHFFFAOYSA-N 336.370 3.519 0 1 EHAF CC1(C)C(Br)=C[C@H](O)[C@]2(C)O[C@@H]3C[C@]12CC[C@]3(C)Cl 238775683 DQGHGRXDZHRTFQ-FONWIUJUSA-N 349.696 3.991 0 1 EHAF CC(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(C)=O)c3c(C)coc3C[C@@H]12 238768383 LDQOXMVEVCLTTM-FPYLHDGTSA-N 334.412 3.732 0 1 EHAF O=C1[C@@H](Oc2ccccc2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1 299827182 NMQUVCHYVZHRSK-PMACEKPBSA-N 347.370 3.633 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1c(F)ccc(C)c1F)[C@@H](C2)C3=O 587427196 QVRMGHLMDHAAHU-BUXKBTBVSA-N 330.330 3.945 0 1 EHAF COCCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794104 OCXWJLQTOGILNQ-MEBBXXQBSA-N 330.241 3.764 0 1 EHAF O=C1COc2cc3[nH]c(C=C4C5CC6CC(C5)CC4C6)nc3cc2N1 587968032 RWJZIFODXMHSJN-UHFFFAOYSA-N 335.407 3.733 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)c(O)nc1C)O2 587379957 ZDFDJCCPOFPQOK-QGZVFWFLSA-N 332.787 3.520 0 1 EHAF COC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCC1 587600523 OEABARBUNNUSAH-LPHOPBHVSA-N 340.375 3.682 0 1 EHAF COc1cccc(-c2cc(O)cc(-c3nc4ccnc(O)c4[nH]3)c2)c1 587933156 LBSINWVQOYZCOY-UHFFFAOYSA-N 333.347 3.712 0 1 EHAF CC(C)O[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587598902 CCQXWDUYEKPDFJ-UWVAXJGDSA-N 340.375 3.680 0 1 EHAF Cc1cc(Cl)ccc1OCCCc1nc2c(Cl)ncnc2[nH]1 587066492 OOXAMFLADHGWDH-UHFFFAOYSA-N 337.210 3.980 0 1 EHAF O=C1C[C@@H](c2cnc3n2C=CCC3=O)Oc2c1ccc1c2CCCC1 587514066 GBHLDWJFQCSOSD-SFHVURJKSA-N 334.375 3.526 0 1 EHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 587784509 IDKQMMJINWOSFD-VXGBXAGGSA-N 328.318 3.785 0 1 EHAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C 587755376 PEPYFNIXORBAAH-JDNHERCYSA-N 337.236 3.859 0 1 EHAF C[C@@H](Oc1cc2cnn(CCC(=O)O)c2cc1Cl)c1ccccn1 1772570808 JYZCYDOSZIOQGU-LLVKDONJSA-N 345.786 3.699 0 1 EHAF Cc1cc(F)cc2ccc(CCc3nc4c(C)ncc(C)n4n3)nc12 1772587296 IYYHXWQTNJZSKX-UHFFFAOYSA-N 335.386 3.522 0 1 EHAF CC(=O)OCCSC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 13584844 NGCOVFQZQYNLNZ-NVXWUHKLSA-N 341.904 3.672 0 1 EHAF NCCc1ccc(Oc2ccccc2)c(I)c1 13681065 GKFDZUBZKRFXNN-UHFFFAOYSA-N 339.176 3.585 0 1 EHAF Nc1ccccc1NC(=O)CCCCCC(=O)Nc1ccc(O)cc1 205730535 NMGBBCPDZCAMIS-UHFFFAOYSA-N 341.411 3.502 0 1 EHAF CCCCC[C@H](O)/C=C/[C@H]1C(=O)C=C2OC(=O)CCCC=CC[C@@H]21 253663291 HAFYDMYOJDWJFN-XJVGROSESA-N 332.440 3.856 0 1 EHAF Cn1c(CC[C@@]2(C)Cc3ccccc3C(=O)O2)cc2ccccc2c1=O 1644456 LSQMMMZICIWTQW-QFIPXVFZSA-N 347.414 3.643 0 1 EHAF O[C@@H](C[C@@H]1CCC[C@H](C[C@@H](O)c2ccccc2)N1)c1ccccc1 2504783 UMXDEQATKLAHCQ-FXELSEDVSA-N 325.452 3.745 0 1 EHAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCCOC 4213990 JRINWKZOIABMSN-MOPGFXCFSA-N 346.471 3.853 0 1 EHAF O=C([C@@H]1CS[C@@H](c2cccnc2)N1)n1ccc2ccc(Cl)cc21 13737433 AZRSJQNXHUUSTF-HOCLYGCPSA-N 343.839 3.734 0 1 EHAF CCC(=O)O[C@H]1COc2c(CC=C(C)C)c(=O)oc3cccc1c23 14440715 HLGOQJMZWVUWIB-HNNXBMFYSA-N 328.364 3.688 0 1 EHAF biogenic CC[C@@H](Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O 27524492 YELSJKOYVBXPDG-GOSISDBHSA-N 341.407 3.727 0 1 EHAF COc1c([C@@H](CC(C)=O)c2ccccc2)c(=O)oc2cc(O)ccc12 27558079 YALOLWXRZSGBJA-INIZCTEOSA-N 338.359 3.618 0 1 EHAF O=C(NCCc1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1 34204419 USWFQUUWZNITBV-UHFFFAOYSA-N 345.398 3.878 0 1 EHAF O=C(c1ccc(-c2ccccc2)nc1)N(CC1CC1)C[C@H]1CCCO1 40829477 FNSBTYOEDDWBCG-LJQANCHMSA-N 336.435 3.780 0 1 EHAF COc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC(C)=O)c1 49803581 UYGOXHRDPOHUKD-LFIBNONCSA-N 336.391 3.682 0 1 EHAF Clc1cccc(COc2ccc3c(c2)-c2nncn2CCO3)c1 53243214 YMXAICJSFFKSJR-UHFFFAOYSA-N 327.771 3.570 0 1 EHAF O=C(O)c1cn(C/C=C/c2cccc(F)c2)c2c(F)cccc2c1=O 71332264 IEEKOGIBMAVZHV-HWKANZROSA-N 341.313 3.691 0 1 EHAF O=C(NCC1(O)CCCCCC1)c1cc(-c2c[nH]cn2)ccc1Cl 72179528 QTPSWOYZQPVWCS-UHFFFAOYSA-N 347.846 3.545 0 1 EHAF CCCCN1C(=O)c2ccccc2N[C@H]1c1ccc(O)c(OC)c1 103169966 DXEUVBJUXCMWMN-GOSISDBHSA-N 326.396 3.767 0 1 EHAF O=C(Nc1ccc([C@H]2CCNC2)cc1)OCCc1ccc(F)cc1 117717843 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338.285 3.718 0 1 EHAF Cc1ccc(O)c(C(=O)NCCCN2[C@@H](C)CC[C@@H]3CCCC[C@H]32)c1 29397506 JYSCQQFMBWWEBV-JENIJYKNSA-N 344.499 3.864 0 1 EHAF Cc1cc(=O)nc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 39247887 AGKCEXFDBNQHOU-UHFFFAOYSA-N 335.794 3.545 0 1 EHAF S=C(NC1C2CC3CC(C2)CC1C3)N1CCC(c2ccccc2)=N1 40917003 BZQAWIPBBLDETL-UHFFFAOYSA-N 339.508 3.796 0 1 EHAF CCn1ccc2cc([C@@H](O)c3ccc(OC)c(OC)c3OC)ccc21 45286338 AWQCWKGZNUIRAQ-GOSISDBHSA-N 341.407 3.769 0 1 EHAF C(=C1/OCc2ccccc21)\c1ncnc2c1ncn2Cc1ccccc1 45348569 ALBIURMSGWNSKW-VXLYETTFSA-N 340.386 3.903 0 1 EHAF COc1cc(/C=C2\CCCN=C2c2cccnc2)cc(OC)c1OC 49803847 ACTQYQCVGKYIJO-XNTDXEJSSA-N 338.407 3.774 0 1 EHAF O=C(NCCCN1CCCC1)c1coc(-c2ccc3ccccc3c2)n1 82086352 AAMQHZGQSIDCGS-UHFFFAOYSA-N 349.434 3.711 0 1 EHAF COc1cc2c(cc1OC)-c1c(-c3cnc(C)s3)ncn1CC2 84596435 NUHMDWHGODLNKY-UHFFFAOYSA-N 327.409 3.555 0 1 EHAF CC(C)(C)c1cc(C(=O)/C(C#N)=N/Nc2ccccc2Cl)no1 148502844 MLEIAPIKRLXYAB-DEDYPNTBSA-N 330.775 3.800 0 1 EHAF O=C(Nc1ccccc1F)Nc1nccnc1OCc1ccccc1 207068245 QIFOBCKRDZGQNC-UHFFFAOYSA-N 338.342 3.839 0 1 EHAF CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)n1sc2ccccc2c1=O 245257919 ICCRVYGUBABUKA-BPLDGKMQSA-N 332.469 3.709 0 1 EHAF CC(C)Oc1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 587042054 HOKPGFNUHCPWMU-OAHLLOKOSA-N 347.484 3.970 0 1 EHAF CNc1cc(Cl)ccc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587066890 IXBCETQQWLXPPX-UHFFFAOYSA-N 328.803 3.627 0 1 EHAF NC(=O)c1cccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587073723 KOCDTUPCUSBEOM-UHFFFAOYSA-N 325.799 3.785 0 1 EHAF C[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)n1cncn1 587105197 SGRCZEGUCJUHRV-LBPRGKRZSA-N 326.359 3.647 0 1 EHAF Cc1nccc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 587168117 SLKPLSDCVHNIGR-OAHLLOKOSA-N 339.374 3.774 0 1 EHAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc2cc(N(C)C)ccc2c1 587369716 NWQYJMDRYPHMTK-UHFFFAOYSA-N 346.390 3.631 0 1 EHAF CC[C@]1(c2ccc(OC)cc2OC)CC(=O)c2cc(C)cc(N)c2O1 587398199 CXERJJSCMXHFIE-HXUWFJFHSA-N 341.407 3.865 0 1 EHAF COc1cc2c3c(c1)O[C@@H](Cc1ccc(F)cc1Cl)[C@@H](C2)C3=O 587427657 JRJNNIQIIMBQNV-HIFRSBDPSA-N 332.758 3.846 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cccc4cnccc14)[C@@H](C2)C3=O 587436996 VHUYWHRNYULSJR-LAUBAEHRSA-N 331.371 3.906 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)n2)N1 587738501 OXPMUQYMMJNJIU-ANRSDYALSA-N 339.183 3.746 0 1 EHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1 587788045 ZGSNDWJZYZTVMB-RYUDHWBXSA-N 327.771 3.555 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](CO)C2)N1 587820277 ARKIDNSYAQSXTP-GLKRBJQHSA-N 342.252 3.500 0 1 EHAF CC(C)(C)Oc1ccc(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587944284 DJDGQRUCMZRWCR-ZDUSSCGKSA-N 340.326 3.993 0 1 EHAF CO[C@H](C)COC1CCC(c2nc3c(F)cnc(Cl)c3[nH]2)CC1 587950976 FRIXDCSKGSZMDH-KPPDAEKUSA-N 341.814 3.828 0 1 EHAF N=C(NO)c1cccc(/C=C/c2ccc(O)c(-c3ccccn3)c2)c1 1857562277 LBVYWOXEMKKJMA-BQYQJAHWSA-N 331.375 3.929 0 1 EHAF CCCOc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1 1857620636 WLJWROFWNHSQLT-UHFFFAOYSA-N 347.418 3.886 0 1 EHAF O[C@@H](Cn1ccnc1)c1ccc(OCc2ccc(Cl)cc2)cc1 1857758238 SFYKLALUASYOOU-SFHVURJKSA-N 328.799 3.849 0 1 EHAF Cc1cc2ccccc2c(=O)n1CC(=O)N(C)c1cccc(Cl)c1 211533 OFCGTXYLFSEBPG-UHFFFAOYSA-N 340.810 3.626 0 1 EHAF O=c1[nH]c(CCCN2CC=C(c3ccccc3)CC2)nc2ccccc12 13581540 YOLWLBZFKFREBH-UHFFFAOYSA-N 345.446 3.645 0 1 EHAF Oc1nc2cc(Cl)c(Cl)cc2n2c(-c3ccccc3)nnc12 13726921 GLVLOKFVKDOMOK-UHFFFAOYSA-N 331.162 3.957 0 1 EHAF CN(C)Cc1cn(-c2nc(C(=O)O)cs2)c2cc(Cl)ccc12 29045932 MJFMQSRTPBUKEE-UHFFFAOYSA-N 335.816 3.500 0 1 EHAF Nc1nnc(-c2cc(Cl)c(OCc3cccc(Cl)c3)cn2)o1 40413747 SOKDIVCUQZEAMS-UHFFFAOYSA-N 337.166 3.600 0 1 EHAF C[C@H](C(=O)N1Cc2ccccc2C[C@@]2(CCCN2C)C1)c1ccccc1 71990451 HHPPBQMUPUVPIW-MBSDFSHPSA-N 348.490 3.839 0 1 EHAF O=C1NC(=O)c2cc(Nc3cccc(O)c3)c(Nc3ccccc3)cc21 73169906 JZUCYMSNLMXCKV-UHFFFAOYSA-N 345.358 3.763 0 1 EHAF CCc1cccc(-c2cccc(C(F)(F)P(=O)(O)O)c2)c1O 96285012 BZQXETDDMARKGY-UHFFFAOYSA-N 328.251 3.849 0 1 EHAF Nn1c(Sc2ccc(Br)cc2)nnc1-c1ccccc1 103274233 YFNKNMVENOMVHJ-UHFFFAOYSA-N 347.241 3.573 0 1 EHAF O=C1OC[C@H](c2ccccc2)N1c1ccnc(NCc2ccccc2)n1 142051405 LAWLEYKLFLHHQT-QGZVFWFLSA-N 346.390 3.787 0 1 EHAF O=C(O[C@@H]1CC[C@H]2CC[C@H]1N2)C(O)(C1CCCCC1)C1CCCCC1 169336897 YPFRESVLDBSTNK-GUDVDZBRSA-N 349.515 3.704 0 1 EHAF O=C1N[C@@H](c2ccc(OCc3ccccc3)cc2)Nc2ncccc21 473088697 JIPQXFWUONVUSA-SFHVURJKSA-N 331.375 3.515 0 1 EHAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccnc(Br)c3[nH]2)cc1 586888022 KAQDTTHVWBOJAO-YGRLFVJLSA-N 346.228 3.866 0 1 EHAF Oc1ccccc1C1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC1 586896354 BNPAYFQXXXDXQW-UHFFFAOYSA-N 330.290 3.670 0 1 EHAF CN(C)C(=O)c1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1 586898490 OOVJKMSLCHUNLB-UHFFFAOYSA-N 335.407 3.516 0 1 EHAF Cc1ccnc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc12 586900746 LCYVTCUBBNPQQV-UHFFFAOYSA-N 333.347 3.918 0 1 EHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(F)c3[nH]2)cs1 587013852 CALAKDYWVSIZQJ-UHFFFAOYSA-N 348.403 3.850 0 1 EHAF Oc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587093709 RGCDSWPWLGHVEG-UHFFFAOYSA-N 325.315 3.985 0 1 EHAF COc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1C 587156755 PPBCPIQEYKLPSV-LJQANCHMSA-N 339.370 3.810 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc4cccnc4cc1F)[C@@H](C2)C3=O 587428649 PMUHIOFEEJOJPU-XOBRGWDASA-N 335.334 3.871 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(C)ccc4n1C)[C@@H](C2)C3=O 587430367 HCGAFEPAGVPUGA-YCRPNKLZSA-N 333.387 3.984 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cnn(C)c4)c1)[C@@H](C2)C3=O 587431716 LWFCEDRCMAAHMQ-UWJYYQICSA-N 346.386 3.584 0 1 EHAF O=C1C[C@H](c2ccc(-n3cncn3)cc2)Oc2c1ccc1c2CCCC1 587517331 LBXNTYPWBIJCKN-HXUWFJFHSA-N 345.402 3.853 0 1 EHAF C[C@H]1Nc2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587521895 DFLDHBNHYFVWLZ-MCMMXHMISA-N 347.414 3.809 0 1 EHAF CCS(=O)(=O)c1ccc2nc(COc3cc(C)cc(C)c3)[nH]c2c1 587564033 FRBQJDYHMBKVPW-UHFFFAOYSA-N 344.436 3.552 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1F 587567605 HYHHCJBBWUQZOG-KXBFYZLASA-N 337.306 3.629 0 1 EHAF CCn1cc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)cn1 587633450 DVVKTYDPXRLEFV-UHFFFAOYSA-N 325.265 3.935 0 1 EHAF Cc1c(-c2ccc(Cl)cc2O)[nH]c2ccc(S(C)(=O)=O)cc12 587648796 HRVFLKBSKONMRA-UHFFFAOYSA-N 335.812 3.906 0 1 EHAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OC)c(F)cc3[nH]2)cc1 587937634 QIULAGSKUIFRIO-BTDLBPIBSA-N 330.359 3.556 0 1 EHAF N[C@H](N=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 587970506 IWCULGRUIZVMLZ-GOSISDBHSA-N 348.406 3.716 0 1 EHAF Cc1cc2c(cc1F)C1(CCC(CO)(c3ccccc3)CC1)NCC2 962087356 BUWKLEWYJCGUJE-UHFFFAOYSA-N 339.454 3.979 0 1 EHAF COc1ccc2c(c1)[C@H](C)[C@]1(CC2)c2ccsc2CCN1C(N)=O 962693706 AUHPYRBQBKNVCE-HXPMCKFVSA-N 342.464 3.639 0 1 EHAF COc1ccc(Cl)c2c1CCN[C@@H]2c1c(C)nc2scc(C)n12 963257099 HBYNHAMRPJWSTA-HNNXBMFYSA-N 347.871 3.910 0 1 EHAF COc1cc(-c2cc(-c3ccc(Cl)cc3)[nH]c(=N)n2)ccc1O 1857745751 IKQLORBLJYVOQH-UHFFFAOYSA-N 327.771 3.591 0 1 EHAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2[C@H](OC)C[C@@]2(C)C(=O)CCC[C@@H]12 2356381969 HZJBJVDHAZGTAN-KTVPESFFSA-N 344.451 3.841 0 1 EHAF CC=C(C)[C@@H]1[C@H](C)C(=O)[C@]2(O)CCC[C@H](C)[C@@H]2[C@H]1C=CC=CC(=O)O 2356657259 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XEYKTBFLLCFCKD-UTKZUKDTSA-N 337.419 3.814 0 1 EHAF COc1cc(C)cc2c1OCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587415089 YNIVVVZJENPWHB-HXUWFJFHSA-N 339.391 3.537 0 1 EHAF Cc1cc2nc(-c3cnc([C@H](C)O)s3)[nH]c2cc1Br 587022830 ZRDCUVYJTFWNAO-ZETCQYMHSA-N 338.230 3.811 0 1 EHAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(N)ccnc2[nH]1 587247172 ITHBUAYSAVZJKS-UHFFFAOYSA-N 345.406 3.955 0 1 EHAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(Cl)cc1 587633095 RMZKCDXQGCRTNT-UHFFFAOYSA-N 331.730 3.978 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COC2(C)C)N1 587829756 CGTKMUAZQAYVHW-PSLIRLAXSA-N 326.209 3.640 0 1 EHAF COc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2n1 587092664 FKBFNEUOWYVWMS-UHFFFAOYSA-N 340.330 3.683 0 1 EHAF C[C@]1(c2nc3ccc(Cl)nc3[nH]2)C=C(c2ccccc2F)NO1 587154054 BYXJOCHPAKFZFQ-MRXNPFEDSA-N 330.750 3.542 0 1 EHAF CC(C)[C@H](N)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339758 USBSOSHOBXTEGZ-YSIASYRMSA-N 343.398 3.632 0 1 EHAF COc1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1 13582031 CQQOOAGCTKPHKF-UHFFFAOYSA-N 339.786 3.992 0 1 EHAF Nc1nc(-c2ccco2)nc2sc(CN3CCCCCC3)cc12 169328927 SSJXHQWCBBLDCI-UHFFFAOYSA-N 328.441 3.910 0 1 EHAF Clc1ncccc1-n1cc(CSc2nc3ccccc3o2)nn1 169340334 USXAHLXYBCGWOC-UHFFFAOYSA-N 343.799 3.749 0 1 EHAF Cc1ccccc1Cn1cc(COC(=O)Nc2ccc(F)cc2)nn1 203462561 BRRRSKILPQHHON-UHFFFAOYSA-N 340.358 3.523 0 3 EHAF COC[C@@H](NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccccc1 1857586490 HNDYCXUNTDDGPW-MRXNPFEDSA-N 342.826 3.949 0 1 EHAF Cc1c(Sc2ccc3ccccc3c2)n(C)c2nc(=N)[nH]c(N)c12 1857756266 HOZSLDLWHVQRPQ-UHFFFAOYSA-N 335.436 3.576 0 1 EHAF COC(=O)C1=C[C@]23C[C@@H](C)CC[C@@H]2[C@@]2(C)CC[C@@H](C(C)C)[C@@](O)(O3)[C@@H]12 14922899 CWSSNRJGRZWATA-DIGXBJOVSA-N 348.483 3.682 0 1 EHAF Oc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1Br 28949784 UHDQHUPIXKORDL-UHFFFAOYSA-N 344.164 3.968 0 1 EHAF in-vivo COc1ccc2c3c(oc2c1)C(=O)c1cc(OC)c(OC)c(OC)c1-3 45348144 ZKCFPLYHAGOCLW-UHFFFAOYSA-N 340.331 3.679 0 1 EHAF C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CCc1ccccc1 58536485 RUMQBVLWLNKHTD-HNKPZJSLSA-N 348.490 3.552 0 1 EHAF CC(C)(C)O[C@@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)C1 73162127 PJCXLKOOAWGTHN-VXGBXAGGSA-N 327.222 3.552 0 1 EHAF Cc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1 96938964 ZUOJEWXMTBAQSP-UHFFFAOYSA-N 340.770 3.878 0 1 EHAF C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)NC4CCCCC4)C[C@@H]2N3)cc1 100108434 HKWMFINTQGZZGE-ULGLWMGMSA-N 339.483 3.502 0 1 EHAF CC1=Nc2ncnn2[C@H](c2ccco2)/C1=C(\O)OC1CCCCC1 101515006 ITUVEBAKPZTZTE-DPEHCCBOSA-N 328.372 3.685 0 1 EHAF COc1cc(NC(=O)c2ccccc2)ccc1-n1cnc(Cl)c1 103235407 XQFPYEXIFZFMNM-UHFFFAOYSA-N 327.771 3.787 0 1 EHAF N=C(NCc1ccc(F)c(F)c1)c1ccc(OC(F)(F)F)cc1 103259101 MVDKCNQAONAPHE-UHFFFAOYSA-N 330.256 3.979 0 1 EHAF CC1(C)CC2=Nc3nc(O)nc(O)c3[C@H](c3ccccc3)C2=C(O)C1 104082760 MEIYKRYMBPRODQ-CYBMUJFWSA-N 337.379 3.738 0 1 EHAF C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@H]23)[C@@]12CC[C@@]1(C=COC1)O2 238773633 OQLCWZJEAYGVQE-PYMHPSGOSA-N 332.440 3.596 0 1 EHAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3cccs3)cc1)N2 261148395 OJTSMYGJKFOMBK-CUSZFKRNSA-N 327.449 3.812 0 1 EHAF Oc1cccc2c1OCC(c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)=C2 586907532 GZIADGLSOKWDJV-UHFFFAOYSA-N 344.273 3.523 0 1 EHAF Cc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1C 586966952 NLIHKURWRNVFDE-UHFFFAOYSA-N 337.408 3.917 0 1 EHAF COc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587007022 USFOLHVCRLSMFD-UHFFFAOYSA-N 343.184 3.649 0 1 EHAF Clc1ccc(CN2CCC[C@@H]2c2nc3nc(Cl)c[nH]c-3n2)cc1 587073740 LWIYBIBJEJFYSS-GFCCVEGCSA-N 348.237 3.948 0 1 EHAF C[C@]1(c2nc3cc(Cl)ncc3[nH]2)C=C(c2ccccc2F)NO1 587159121 ZPFBJBXJNQQZIX-MRXNPFEDSA-N 330.750 3.542 0 1 EHAF Cc1c(Br)cnc2nc(-c3ccc(CN=O)cc3)[nH]c12 587190441 OGTGLQZTEIMIGW-UHFFFAOYSA-N 331.173 3.962 0 1 EHAF COC(=O)CC[C@@]1(C)CCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587400312 QKYDSAONOIRYDE-WOJBJXKFSA-N 345.439 3.815 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(O)cc1F)[C@@H](C2)C3=O 587423933 LQJJEOHMAVFQKI-BTDLBPIBSA-N 334.730 3.682 0 1 EHAF COc1cc2c3c(c1)O[C@H]([C@@H](C)COCc1ccccc1)[C@@H](C2)C3=O 587439903 DUCNHVFCLOOJEA-IBNJYYFUSA-N 338.403 3.664 0 1 EHAF COc1cc2c3c(c1)O[C@@H](C(C)(C)CN1CCCCCC1)[C@@H](C2)C3=O 587444991 SWSFJXMUKNXNBV-OXJNMPFZSA-N 343.467 3.713 0 1 EHAF O=C1C[C@@H](c2cn(-c3ccccc3)nn2)Oc2c1ccc1c2CCCC1 587517796 VKJCCNYHKSKWMW-FQEVSTJZSA-N 345.402 3.853 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC[C@H]1CCCO1 587619704 YVHCEKXUKFKJQN-SKDZVZGDSA-N 340.375 3.682 0 1 EHAF COc1ccc(C)cc1C(=O)CCc1nc2cncc(Cl)c2[nH]1 587788175 YTKOMSMSNKRKAQ-UHFFFAOYSA-N 329.787 3.744 0 1 EHAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 587794584 NGWMHKATPNLOCE-VXJOIVPMSA-N 339.208 3.682 0 1 EHAF CC(=O)CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814845 WEPAJBHVYGRFBN-PSLIRLAXSA-N 328.225 3.707 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)NC1CC1 587865834 LAWVNBNGNMJEBU-UHFFFAOYSA-N 339.317 3.688 0 1 EHAF COc1ccc2c(c1)CCC=C2Cc1nc2cccc(C(=O)O)c2[nH]1 587934717 NBVRSZGQXJPGAD-UHFFFAOYSA-N 334.375 3.842 0 1 EHAF Fc1cccc(-c2cnc([C@H]3COCCN3Cc3ccccc3)[nH]2)c1 2356309132 BWBDSTUMDWHMPY-LJQANCHMSA-N 337.398 3.789 0 1 EHAF CCC=CCC=CC[C@H](O)[C@H](O)C=C[C@@H]1CC=CCCCC(=O)O1 2356490587 OIBRTSVGCWTYLU-GBESFXJTSA-N 334.456 3.609 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](O)c3c(C)coc3C(=O)[C@H]12 2356594130 JSAITVSNDUGDOQ-SJUJPKRDSA-N 346.423 3.748 0 1 EHAF C[C@]12CC[C@@H]3c4ccc(OCC(=O)O)cc4CC[C@@H]3[C@H]1CCC2=O 71758242 XSDCLHQDGODZPZ-YZLZLFLDSA-N 328.408 3.575 0 3 EHAF Cc1ccc(CN2CCCC[C@H](NC(=O)C3CCCCC3)C2=O)cc1 200052461 OBIJJRAEGNYEAA-IBGZPJMESA-N 342.483 3.573 0 3 EHAF CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 3032903 LKQDFQLSEHWIRK-MQPLVTADSA-N 334.500 3.710 0 1 EHAF Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NC1CCC1 1911575634 WBCMZEABFUEZID-UHFFFAOYSA-N 337.345 3.610 0 1 EHAF CCc1ccc2c(c1)c(OC)cc1nc(C(=O)c3ccccn3)cn12 28231764 AQRKKJSMCOCCTG-UHFFFAOYSA-N 331.375 3.685 0 1 EHAF O=C(Nc1ccccc1)c1cc(NC(=O)c2ccccc2Cl)[nH]n1 28711971 FBEAYUNZQMNZEN-UHFFFAOYSA-N 340.770 3.568 0 1 EHAF CC(C)(C)c1ccc(Oc2cccc(/C=C3/NC(=O)NC3=O)c2)cc1 28703313 NPFGOYVTNPQZGI-SFQUDFHCSA-N 336.391 3.957 0 1 EHAF C[C@H](NC(=O)/C=C/c1c(F)cccc1F)c1ccc2c(c1)CCO2 28380056 OBSVUPFXSREGIN-WMADIVHISA-N 329.346 3.790 0 1 EHAF CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3sccc3c2)CC1 61897670 WQQDNWODEXCNNL-CYBMUJFWSA-N 331.437 3.707 0 3 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@](C)(O)[C@@]12C 2356604900 KGZOYCGNWWQQRH-DIHFKTGWSA-N 346.423 3.892 0 1 EHAF CCCCn1nc(C)c2c(nc(C)n3nc(-c4ccccc4)cc23)c1=O 36476460 XPJZBOZHBMDCIJ-UHFFFAOYSA-N 347.422 3.523 0 1 EHAF COc1cccc(NC(=O)[C@@]2(C)CCN2C(=O)CCC2CCCC2)c1 61903830 OKVUWFBCCYRGKY-HXUWFJFHSA-N 344.455 3.595 0 3 EHAF Oc1nc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)no1 73386263 KACKNDWWNBLGEU-HNNXBMFYSA-N 340.770 3.784 0 1 EHAF COc1ccc(Cn2c3ccccc3c3c(N)cc(N(C)C)nc32)cc1 43067166 UOJCHWLFWLUAPU-UHFFFAOYSA-N 346.434 3.895 0 1 EHAF CCCCCOC(=O)Nc1nnc(-c2ccc(C(=O)O)cc2)s1 84730442 XJYNXIQVDQXCEJ-UHFFFAOYSA-N 335.385 3.642 0 1 EHAF CCCCCC1=C(C(=O)OCC)[C@H](c2cccc(C)c2)NC(=O)N1 40466846 YJGDKXDDSHPCNE-KRWDZBQOSA-N 330.428 3.746 0 1 EHAF O=C(N1CC[C@@H](c2c[nH]c3cnccc23)C1)C1(c2ccc(F)cc2)CC1 84687136 YNEHVPJKYXKMTG-CQSZACIVSA-N 349.409 3.750 0 1 EHAF O=C(CNc1nc(-c2cccc(F)c2)cs1)NCc1ccccc1 82192091 XUZBFQVKOGYDTI-UHFFFAOYSA-N 341.411 3.678 0 1 EHAF CC[C@@H]1CCCCN1c1cc(Oc2cccc(NC(C)=O)c2)ncn1 82067336 MEMQVBVDPGSIMB-MRXNPFEDSA-N 340.427 3.996 0 1 EHAF COC(=O)CC[C@@H](C)N[C@]1(c2ccccc2Cl)CCCCC1=O 96911361 DXFKXPYVXFWPHN-ACJLOTCBSA-N 337.847 3.610 0 1 EHAF COc1ccc2nc(-c3c(-c4ccccc4)nc4ncccn34)[nH]c2c1 473146112 CRDFPTOPQLTKFL-UHFFFAOYSA-N 341.374 3.948 0 1 EHAF Fc1ncc(Br)cc1-c1nc2ccnc(Cl)c2[nH]1 587178048 NJGAOLSHHJXLRY-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)CN1CCCCCC1)O2 587398435 HBGCMAMWZAESSZ-SFHVURJKSA-N 330.472 3.813 0 1 EHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)cc(C)c3[nH]1)C2 587246299 FYYIOZPELNHINV-IBGZPJMESA-N 341.842 3.876 0 1 EHAF CC(C)(C)[C@@]1(CN)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333692 HWZAHCQALLEYKB-XLIONFOSSA-N 343.398 3.634 0 1 EHAF 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339.458 3.709 0 1 EHAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC 17176144 KMCRDRIVRPRGHU-SREVYHEPSA-N 330.380 3.900 0 1 EHAF CC(C)(C)n1c(-c2ccncc2)nc2cc(-c3cnc(N)nc3)ccc21 169234360 MCELGPSEUJCOEX-UHFFFAOYSA-N 344.422 3.893 0 1 EHAF Cc1cccc(C)c1C(=O)N[C@H](c1ccccc1)C12CC(CN1C)C2 1857641517 NVWAOCKTOOXEHN-LVKMRUPZSA-N 334.463 3.869 0 1 EHAF CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 3895739 AQQROLPNBMFHBE-BURFUSLBSA-N 336.520 3.648 0 1 EHAF CCSc1nn2c(COc3ccc(Cl)cc3)nnc2s1 6411588 POTXVFDXGOEAHO-UHFFFAOYSA-N 326.834 3.530 0 1 EHAF O=S(=O)(c1ccc(F)cc1)N1CCC2(C=Cc3ccccc32)CC1 13728205 CFQNGTXFPLMLDT-UHFFFAOYSA-N 343.423 3.575 0 1 EHAF Oc1c2cnc3c(c2nn1-c1ccc(OC(F)F)cc1)CCCC3 27088204 QCILNSKJADMOQI-UHFFFAOYSA-N 331.322 3.606 0 1 EHAF Cc1ccc(Cl)cc1Nc1nccc(C2=CNN3C=CC=C[C@H]23)n1 28975982 FRDNBMXEMREJPD-QGZVFWFLSA-N 337.814 3.795 0 1 EHAF Fc1ccccc1Nc1nc2c(-c3nc[nH]n3)cccc2n2cncc12 68248129 DWRQBWXBAGAKJH-UHFFFAOYSA-N 345.341 3.550 0 1 EHAF 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XOGZLEYOOYFYAS-GOSISDBHSA-N 340.419 3.703 0 1 EHAF biogenic CN1CCCC[C@@]12Cc1ccccc1CN(C(=O)c1ccccc1)C2 71988065 UISBSAGSRZZXPC-QFIPXVFZSA-N 334.463 3.740 0 1 EHAF CN(C)C(C)(C)COC(=O)c1csc(-c2ccc(Cl)cc2)n1 82086391 XWSNEEJYZWDTMB-UHFFFAOYSA-N 338.860 3.961 0 1 EHAF CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC[C@@H]3C)ncc2C)C1 82202470 GNYIQFMKIVKSSX-MWDXBVQZSA-N 332.492 3.779 0 1 EHAF CCOC(=O)N1C(=S)N(c2ccc(C)cc2)C(=O)C12CCCCC2 95872952 VKHUFXQILOETRH-UHFFFAOYSA-N 346.452 3.788 0 1 EHAF CC[C@@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587825279 CLJJZISZKABBHS-PSLIRLAXSA-N 344.224 3.593 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@H]2CCCO2)N1 587832961 LUQCZEQMPLKEKQ-NSODJVPESA-N 342.252 3.907 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccc(F)cc1)O2 587385573 UAUMUCYETDHQPD-KRWDZBQOSA-N 337.354 3.813 0 1 EHAF COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 587418499 IMQQKZYUJDCTJO-FZKQIMNGSA-N 330.767 3.846 0 1 EHAF CCOC(=O)CNc1ccc(-c2nc3cc(C)c(OC)cc3[nH]2)cc1 587226481 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YUVRVXXCTMNNES-UHFFFAOYSA-N 340.400 3.686 0 1 EHAF Cn1c(=N)n(CCOc2ccc(Cl)cc2)c2ccc(Cl)cc21 169310420 XLMQYHKAOJBWBR-UHFFFAOYSA-N 336.222 3.845 0 1 EHAF CCCNC(=O)[C@@]1(C)CCN(CCCC(=O)c2ccc(C)c(C)c2)C1 1857593326 AUZAEIZBOJTEIU-NRFANRHFSA-N 344.499 3.505 0 1 EHAF O=C(NCCCCCCC(=O)c1ncco1)c1cc2ccccc2[nH]1 13587175 FUNJGSCUIMFKGA-UHFFFAOYSA-N 339.395 3.719 0 1 EHAF CC(C)CC(=O)OC[C@@]1(C)C=Cc2c(ccc3ccc(=O)oc23)O1 14696940 ONHZLVDNABLAEK-LJQANCHMSA-N 328.364 3.547 0 1 EHAF biogenic CCOC(=O)[C@H](Cc1ccccc1)Nc1nc2ccccc2s1 28004164 TZGLWBSBLMFISJ-HNNXBMFYSA-N 326.421 3.883 0 1 EHAF Cc1cc2c(n1[C@H](Cc1ccccc1)C(=O)O)CC(C)(C)CC2=O 28873194 FRHLOLGZXIIJND-MRXNPFEDSA-N 325.408 3.820 0 1 EHAF O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccccc1)c1ccc(O)cc1 64549477 BUMFKYNKIIPRRX-HXUWFJFHSA-N 337.325 3.957 0 1 EHAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCC[C@H]2O)cc1-c1ccc(O)cc1 72106785 OVRYSRXEAMSVQR-OWDMVUQNSA-N 340.419 3.951 0 1 EHAF CC(C)CNc1ncnc2c1nc(CC(C)(C)C)n2C[C@H]1CCCO1 82178193 YJVRMNIMKDXKCI-CQSZACIVSA-N 345.491 3.662 0 1 EHAF CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccccc3)nc2n1 103263536 OKVHJSIAWVMLFX-UHFFFAOYSA-N 343.818 3.778 0 1 EHAF O=C1[C@H]([C@@H](O)c2ccc(Cl)cc2)CCCN1Cc1ccccc1 103284604 FQDRWCVUUHHLKS-ROUUACIJSA-N 329.827 3.812 0 1 EHAF C/C=C(\C)C(=O)O[C@@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 198461225 XXBKFKJZAXTGFB-PVILQAJRSA-N 332.440 3.953 0 1 EHAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@H]2C(=O)CC[C@H](C)[C@@]12C 238759758 XYAOXXDJOGJSPN-FWDCVCKVSA-N 346.423 3.807 0 1 EHAF C[C@]1(O)OC[C@@]23CC[C@@H]4[C@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@H]2CC[C@@H]13 253706453 RVRUDXHMJRUDLB-AXSQLCHVSA-N 332.484 3.645 0 1 EHAF O=c1sc2ccccc2n1CCCCN1CCc2ccccc2C1 299825872 LEYDYCSYNOHHON-UHFFFAOYSA-N 338.476 3.902 0 1 EHAF c1ccc(Cn2cc(CCCOc3cccc4cccnc34)nn2)cc1 299832149 SCHROFUBTXHKSY-UHFFFAOYSA-N 344.418 3.886 0 1 EHAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cnncc3[nH]2)c1 586882370 PDCZHFNTFVUHCJ-UHFFFAOYSA-N 328.375 3.868 0 1 EHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)ncc2[nH]1 586964410 YYQBUVSLSZINKY-JTQLQIEISA-N 335.820 3.659 0 1 EHAF CCOC(=O)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 587031648 JVVSQQVWGNIQHP-UHFFFAOYSA-N 328.393 3.541 0 1 EHAF CN(C)CCOc1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1 587036861 OLSDVNJOJLSWFT-UHFFFAOYSA-N 327.453 3.721 0 1 EHAF Fc1cnc(Br)c2[nH]c(-c3ncccc3Cl)nc12 587065306 NSMALBASLYPPEZ-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587118963 VBIXFPWORJAQNS-UHFFFAOYSA-N 336.651 3.914 0 1 EHAF Cc1c(Cl)ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 587128390 MNKIQYGSCJBMQX-UHFFFAOYSA-N 334.717 3.567 0 1 EHAF Cc1cccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587131771 CIJFXCZUBJNWFL-NSHDSACASA-N 337.370 3.841 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(CCc3ccccc3F)nc2c1 587150914 UZSIGXPFOYUIJJ-UHFFFAOYSA-N 332.762 3.927 0 1 EHAF CC1(C)c2nc3cccc4c3c(c2[C@H]1C(=O)O)-c1ccccc1C4=O 587207715 VWUUTSJXGCMYLR-KRWDZBQOSA-N 329.355 3.906 0 1 EHAF C[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355253 CUVVSZMKGRMIHD-LIUKBUMOSA-N 342.366 3.685 0 1 EHAF CCOC(=O)[C@H]1CCCCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587398182 CMOBMSCZSRTNHX-FOIQADDNSA-N 345.439 3.815 0 1 EHAF CC(=O)OCc1csc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587408293 ANJPCUFVGVKSDY-SFHVURJKSA-N 345.420 3.582 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(C)cn1)[C@@H](C2)C3=O 587430564 JBRJVVBOQKUHAL-BTYIYWSLSA-N 346.386 3.678 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cc4ccccc4cn1)[C@@H](C2)C3=O 587435356 FCWXAVPXODSNEQ-HRAATJIYSA-N 331.371 3.906 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3nn(C)cc3c1)CC2=O 587475501 MOAVXEHYKPLDRE-LJQANCHMSA-N 336.391 3.938 0 1 EHAF NC(=S)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532080 KYBJHWPZMZJKCF-FQEVSTJZSA-N 337.444 3.712 0 1 EHAF CC(C)OC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587797384 WRELAIXNZCPMDT-BMIGLBTASA-N 330.241 3.763 0 1 EHAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 587930885 QGUPVMYIPOKBEE-QLJPJBMISA-N 348.328 3.777 0 1 EHAF COc1ccccc1CC(=O)c1nc2c(ccc3nc(C)ccc32)[nH]1 587932238 WIDBCPHOSFPBKC-UHFFFAOYSA-N 331.375 3.854 0 1 EHAF COC[C@]1(CC(=O)C(C)C)NCCc2cccc(-c3ccccc3)c21 962667510 OJEZSXQWPNZFHR-QFIPXVFZSA-N 337.463 3.956 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCNc2c(C)cccc21 963614610 XNXXWKUHTCZCJL-SZNDQCEHSA-N 338.451 3.606 0 1 EHAF O=C(OCC12CCN(CC1)CC2)c1c[nH]c2ccc(F)c(Cl)c12 1772577781 WVRGWEFBANFWIZ-UHFFFAOYSA-N 336.794 3.603 0 1 EHAF COC(=O)[C@@]12C=NC[C@@]3(CCC1)[C@@H]1Cc4occc4[C@H](C)[C@H]1CC[C@@H]23 2356393503 LLVMHQOQVUMUSA-PECSLXSKSA-N 341.451 3.996 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356471769 YSIVERHSGIJYEX-OPOMMLRYSA-N 338.488 3.762 0 1 EHAF COC(=O)C1=CC=C[C@@H]2[C@]1(CO)CC[C@H](C)[C@@]2(C)CCc1ccoc1 2356566681 PJHGAHSSRFVDMB-MEGFKASBSA-N 344.451 3.913 0 1 EHAF O=C(c1ccco1)N1[C@H]2C=C[C@H](C2)C1(C(F)(F)F)C(F)(F)F 32600 PSRKAICCOYDSSQ-SFYZADRCSA-N 325.208 3.544 0 1 EHAF COc1ccc(CNc2ncnc3c2[nH]c2cc(OC)ccc23)cc1 489598 PSNREPOQSQLAPV-UHFFFAOYSA-N 334.379 3.740 0 1 EHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)O)CC[C@H]4[C@@H]3CC[C@H]12 103244788 SMKOQYDIZVBLMS-HIQFOQTISA-N 333.472 3.551 0 1 EHAF CCN(CC)c1ccc(C(=O)CSc2nc(C)cc(C)n2)cc1 59064084 IKGAYAPGPXKDRD-UHFFFAOYSA-N 329.469 3.915 0 1 EHAF C=Cc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=C(C)/C1=C(\O)OC 26186395 JLSXYRJHVWQOPU-LXMVLSBBSA-N 327.380 3.751 0 1 EHAF COC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26391841 IVJOAORQVUYFDW-FXEDOPNASA-N 347.499 3.639 0 1 EHAF COC(=O)c1sc2cc(-c3cnc4ccccc4c3)cnc2c1N 66259498 JWVJGVXGOWKCIE-UHFFFAOYSA-N 335.388 3.880 0 1 EHAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@@H]4[C@H](C[C@H]12)[C@]4(C(=O)O)C3 2356457283 KWHAEXKTUBKWAW-MPUPTJIHSA-N 346.467 3.883 0 1 EHAF NCCCCN(Cc1ncccc1Cl)[C@H]1CCCc2cccnc21 66077035 FOWXMKVMFNLPCV-SFHVURJKSA-N 344.890 3.749 0 1 EHAF CC(=CC(=O)O)CC[C@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@H]2CC[C@@]1(C)O 2356471767 YSIVERHSGIJYEX-BROHORATSA-N 338.488 3.762 0 1 EHAF COC(=O)C=C(C)CC[C@@H]1C(=O)CC[C@@H]2C(C)(C)[C@H](O)CC[C@]12C 2356519610 JALUKZVNCFBPCF-WVSUBDOOSA-N 336.472 3.668 0 1 EHAF CCCCCC=CC[C@H]1[C@H](C=C[C@@H]2CCCC(=O)O2)[C@@H](O)C[C@H]1O 2356709379 AWRLHDHWBSHXSP-FKSLSLAPSA-N 336.472 3.523 0 1 EHAF CC(C)c1cc(NCc2ccncc2)n2ncc(Br)c2n1 38822732 QUSLQUWKRMPMAG-UHFFFAOYSA-N 346.232 3.622 0 1 EHAF COc1ccc([C@H]2[C@H]3CCc4ccc(F)cc4C3=NN2C(C)=O)cc1 40584651 UFDCJBBJBNWMFD-PXNSSMCTSA-N 338.382 3.704 0 1 EHAF O=C(NCc1cccc(Cl)c1Cl)[C@@H]1CCOc2ncsc21 220851033 RGIVXVQFMNFHDQ-SECBINFHSA-N 343.235 3.632 0 1 EHAF CCOC(=O)c1cn(Cc2ccccc2)c2ccc(Cl)cc2c1=O 42920464 ACKIUEOADKACNF-UHFFFAOYSA-N 341.794 3.880 0 1 EHAF COc1cc2c3cc(-c4ccccc4)[nH]c(=O)c3n(C)c2cc1OC 40899929 ODASJGNISAIMCH-UHFFFAOYSA-N 334.375 3.704 0 1 EHAF CN(C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O)c1ccco1 84729522 WVEDSMDFFPPHHH-UHFFFAOYSA-N 347.374 3.729 0 1 EHAF COc1ccc(Cc2c[nH]c3c(OC)c(OC)c(OC)cc23)cc1 95592728 AHYZFFIZGYDWLA-UHFFFAOYSA-N 327.380 3.793 0 1 EHAF Cc1cc(NCc2ccccn2)n2ncc(-c3cccc(F)c3)c2n1 473150574 MQPIHDFOYTVGAD-UHFFFAOYSA-N 333.370 3.851 0 1 EHAF C[C@@H](Oc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)O 653858591 AXTVJWQMDIHWNQ-LLVKDONJSA-N 348.786 3.514 0 1 EHAF CN(C)C(=O)Nc1cccc(-c2cccc(NC(=O)N(C)C)c2)c1 653897406 FPKPOPLGTVRPHC-UHFFFAOYSA-N 326.400 3.541 0 1 EHAF COc1cc2c3c(c1)O[C@H](/C(=C\N(C)C)c1ccc(C)cc1)[C@@H](C2)C3=O 587429174 OIGAGMPIPVDZMK-HTKKNLIYSA-N 349.430 3.722 0 1 EHAF COc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cn1 587235227 IBNZWILCCMXDPU-VXGBXAGGSA-N 346.431 3.517 0 1 EHAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3C[C@@H]3C(F)(F)F)nc1-2 587093373 LVQHCDCPTRMIJT-HRFVKAFMSA-N 330.619 3.643 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCN([C@@H](C)c4ccccc4)C1)[C@@H](C2)C3=O 587439586 VIRWPERUPPKMSM-SDYXESRWSA-N 349.430 3.648 0 1 EHAF CSc1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587026434 WWUKTOXZYDUZAQ-UHFFFAOYSA-N 326.497 3.717 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccccn3)c1)CC2=O 587477104 UMBVKPXSRKICDA-GOSISDBHSA-N 349.390 3.632 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CN(C)C)N1 587741233 MJKFYNLJSGKFCN-ZUZCIYMTSA-N 343.284 3.751 0 1 EHAF O=C1C[C@]2(CCN[C@H]3CCCC[C@H]32)Oc2c1ccc1c2CCCC1 587525182 SYUJFASZKLTSPF-LQWHRVPQSA-N 325.452 3.822 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccncc1 587589188 WCFLHYKNHYHIKH-IEBWSBKVSA-N 347.370 3.750 0 1 EHAF Cc1cc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c(C)n1 587076562 MVJWLYKBYYQTAJ-OAHLLOKOSA-N 326.787 3.845 0 1 EHAF COc1ccc(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1O 587398605 FUICNASGZFNZQL-HXUWFJFHSA-N 341.407 3.648 0 1 EHAF O=C(c1ccc2ccccc2c1)n1ncc2ccc(Cl)cc2c1=O 587652585 VXTISTXEHIYBSD-UHFFFAOYSA-N 334.762 3.892 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(C(C)(C)C)CC2=O 587483406 WSFNLNXGQSZYNY-IBGZPJMESA-N 334.412 3.658 0 1 EHAF Cc1cccc(C[C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962728518 FEGCBXJBDWQUCZ-IRXDYDNUSA-N 333.353 3.925 0 1 EHAF O=C1CCc2ccc(OCCCCCCN3CCCCC3)cc2N1 1772606551 OPRPOGCTZWDVTJ-UHFFFAOYSA-N 330.472 3.996 0 1 EHAF C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C(=O)c5[nH]ncc5C[C@]4(C)[C@@H]3CC[C@@]21C 5503632 JIKWZDFWABFBJE-WJEYMGBMSA-N 342.483 3.758 0 1 EHAF O=C(CCOCCCc1ccccc1)c1ncc(-c2ccccn2)o1 14980035 NHRHBUMFOMJBTE-UHFFFAOYSA-N 336.391 3.959 0 1 EHAF O=C(N[C@H]1CCCc2ccccc21)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 169294323 GVLXTBMWZDIKCU-MUPOMJOGSA-N 325.452 3.512 0 3 EHAF CCC[C@H]1CC[C@H](n2c(O)nc3ccc(NC(C)=O)cc3c2=O)CC1 1857574281 XGYGSACHNHVGBK-CTYIDZIISA-N 343.427 3.592 0 1 EHAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCO)cc3)cc12 205306187 YGKWXCWHOYVSAU-UHFFFAOYSA-N 331.755 3.558 0 1 EHAF Cc1cccc2c1Sc1ccccc1[C@@H]2NC(=O)CCN(C)C 1624563 ALIQVRVVXGOJJS-SFHVURJKSA-N 326.465 3.617 0 1 EHAF CN1CC[C@@H]2[C@@H](NC(=O)c3ccc(C(F)(F)F)cc3)CCC[C@H]2C1 1841675 VAZHUCJZNBKCDN-BPUTZDHNSA-N 340.389 3.556 0 1 EHAF CC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 3978389 QIVOTMOKECOCJC-BIFBXPJCSA-N 334.500 3.566 0 3 EHAF in-vitro CCc1n[nH]c(CC)c1CCC(=O)NCc1ccc(F)cc1Cl 58494460 XQTXJOBYSKJVLO-UHFFFAOYSA-N 337.826 3.576 0 1 EHAF CCCCn1c2c(c3ccccc31)CC[C@H](CN1CCOCC1)C2=O 59284881 BOIZBHZDXMXGAJ-MRXNPFEDSA-N 340.467 3.519 0 1 EHAF COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(Cl)c1O 114425067 KFWFFDXFUSPCRV-INIZCTEOSA-N 331.799 3.862 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCCC(=C23)[C@@]12C[C@@H](c1ccoc1)OC2=O 2356506198 FEOANYGAJPRFDP-JKFCHOJZSA-N 342.391 3.706 0 1 EHAF O=C(CCCCCCCCc1ccccc1)[C@@H]1[C@H](O)C=C(O)C[C@H]1O 2356522648 OHWWYOHXWKGLHF-NJDAHSKKSA-N 346.467 3.713 0 1 EHAF Nc1nc(-c2ccco2)c2ncn(Cc3ccc4ccccc4c3)c2n1 28522602 CRXZFUDMLLQMOR-UHFFFAOYSA-N 341.374 3.870 0 1 EHAF S=C(NCCCNc1ccnc2cc(Cl)ccc12)N1CCCC1 64446594 CJALQNNQQBQBTQ-UHFFFAOYSA-N 348.903 3.661 0 1 EHAF COc1ccc(/C(F)=C/c2cc(OC)c(OC)c(OC)c2)cc1N 38356456 PEQCBYIUCYFGKO-QPEQYQDCSA-N 333.359 3.771 0 1 EHAF CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CC[C@@H](O)[C@@]1(C)C(=O)O 14442272 XVNILSMWOQFOAL-LFGUQSLTSA-N 330.424 3.516 0 1 EHAF biogenic CCOc1ccc(Nc2ncc3c(n2)-c2ccccc2NC(=O)C3)cc1 45384908 SWJLVNUYMOUHRA-UHFFFAOYSA-N 346.390 3.781 0 1 EHAF CC[C@H](C)Cn1c(-c2ccoc2)nc2c(NCC3CC3)ncnc21 82181446 HAJJOYDBOGHZRU-LBPRGKRZSA-N 325.416 3.954 0 1 EHAF CCCCC[C@@H](O)c1cn(C[C@H]2Cc3c(C)ccc(C)c3O2)nn1 45323175 WGMGJDRLMIAGDE-CRAIPNDOSA-N 329.444 3.512 0 1 EHAF O=C(NCCN1CCCCC1)c1ccc(-c2ccc(Cl)cc2)o1 40422948 VYOBWGZNPIKXCY-UHFFFAOYSA-N 332.831 3.816 0 1 EHAF C/C=C/c1ccc(O[C@@H](C)[C@@H](O)c2ccc(O)c(OC)c2)c(O)c1 238772868 RXZPLAHSPWAGJM-HURSWHOMSA-N 330.380 3.640 0 1 EHAF CC/C=C\C[C@@H]1O[C@@H]2[C@@H](O)C[C@H]1[C@H]2/C=C\C/C=C\CCCC(=O)O 238738519 UOGXOGGKPUJKPV-YBEVFRFDSA-N 334.456 3.865 0 1 EHAF C[C@@H]1CCCC[C@@H]1C(=O)N1CC(c2nc(-c3cccc(F)c3)no2)C1 95580441 HGULSDBPQFERGA-WBMJQRKESA-N 343.402 3.628 0 1 EHAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]1C 252022870 XSTZSCYENOCESX-BODMPHMZSA-N 328.456 3.677 0 1 EHAF Cc1cc2cc(NC(=O)c3cc(-c4ccncc4)cnc3N)ccc2[nH]1 618010119 PWIRLVRXMHXMTQ-UHFFFAOYSA-N 343.390 3.768 0 1 EHAF O=C1C[C@@H](CCCCO)Oc2c(Br)cc(Cl)cc21 299831976 JNARQILBENKEOX-SECBINFHSA-N 333.609 3.599 0 1 EHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)n1 587078826 BWEXPFMCVYMLFM-SSDOTTSWSA-N 336.754 3.888 0 1 EHAF Fc1c(F)c(F)c(/C=C/c2nc3cnc(Cl)[nH]c-3n2)c(F)c1F 587134470 LSRJYDBUBBQJNY-OWOJBTEDSA-N 346.646 3.824 0 1 EHAF COc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1C 587043462 QWSQUCIXIWTWDP-CYBMUJFWSA-N 333.457 3.500 0 1 EHAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(S(=O)(=O)N(C)C)c2c1 587641613 NMCPSUJCQNUKIY-SECBINFHSA-N 348.390 3.951 0 1 EHAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 586888309 JQNNUYHRKHNVGU-CWTRNNRKSA-N 335.407 3.593 0 1 EHAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)on1 587799455 ZKVPQILOFCAHDK-ANRSDYALSA-N 339.208 3.682 0 1 EHAF Cc1cc(C(F)F)nn1CC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873547 DMDWWSOLVJDDAK-UHFFFAOYSA-N 348.284 3.578 0 1 EHAF Cc1ccc([C@]2(c3occc3N)CC(=O)c3cc(C)cc(N)c3O2)cc1 587389536 LCJMPZJHQXEPLS-NRFANRHFSA-N 348.402 3.970 0 1 EHAF CCOC(=O)Cc1ccc2nc(-c3cccc(F)c3NC)[nH]c2c1 587135478 CPGKGAVBBAOTGR-UHFFFAOYSA-N 327.359 3.516 0 1 EHAF O=C1C[C@](c2ccccn2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 587525787 NVVPXPDTPXAOQT-NRFANRHFSA-N 345.402 3.593 0 1 EHAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C)[C@H](O)C4)-c1ccccc1C2=O 587100544 COJPLEJUBMIAMG-KZULUSFZSA-N 329.399 3.850 0 1 EHAF CN(C)CCOc1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586885861 XCMLGOPSYDDCEG-WLNNIECUSA-N 339.483 3.971 0 1 EHAF CC1C[C@@H]2CC3(C[C@H]2C1)c1c(Cl)ccc2c1CCN3[C@@H]2C(=O)O 962575813 SHRSMTVWHKDLGE-RULGUBTDSA-N 331.843 3.989 0 1 EHAF C[C@@H](NC(=O)c1ccccc1)c1cc2c(cc1Cl)OCCCO2 5175786 AAXRTAJUAWWENZ-GFCCVEGCSA-N 331.799 3.992 0 1 EHAF c1ccc(-c2cc3nc(N4CCNCC4)c4cccn4c3s2)cc1 13755971 DYFVORIBDGMRNZ-UHFFFAOYSA-N 334.448 3.626 0 1 EHAF Cc1ccc(S(=O)(=O)Nc2ccc3c(C)c(C)c(=O)oc3c2)cc1 13835565 GGVVUZKWLRJYDH-UHFFFAOYSA-N 343.404 3.519 0 1 EHAF Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NC(C)(C)C 1911579886 HTZITBVCAYMVDL-UHFFFAOYSA-N 339.361 3.856 0 1 EHAF Cc1ccc(O)c(C(=O)NCCCN2CC[C@@H](C)[C@@H]3CCCC[C@@H]32)c1 29394604 BQSKTGYCQKDYDT-AOIWGVFYSA-N 344.499 3.721 0 1 EHAF Cc1cc(C(=O)CCCCOc2ccc(C3=NCCO3)cc2)c(C)[nH]1 27885908 YOUSVKRVFKSQJH-UHFFFAOYSA-N 340.423 3.840 0 1 EHAF CCNCCN1CCSc2ccc(NC(=N)c3cccs3)cc21 113971133 YSLIQNSEJPVWBD-UHFFFAOYSA-N 346.525 3.707 0 1 EHAF CC[C@H](O)CCCCCC[C@@H]1C[C@@H](O)[C@H](Cc2ccccc2)N1C 2356788731 CJSSSEJSBABUJE-IVAOSVALSA-N 333.516 3.774 0 1 EHAF COc1cccc(F)c1[C@H]1SCC(=O)N1c1cc(C)cc(C)n1 32138721 WARRVPIVVUTEQB-QGZVFWFLSA-N 332.400 3.625 0 1 EHAF CN1C/C(=C\c2cccs2)C2=NN(C)[C@@H](c3cccs3)[C@H]2C1 33917371 IGQWEABOPCBVFJ-PTXFZNNYSA-N 329.494 3.797 0 1 EHAF COCCCNc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1 82164110 WDVJRARQWRAYEM-UHFFFAOYSA-N 342.374 3.695 0 1 EHAF CC[C@@H](C)CNc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 82160648 NNTLDKGTMZCZPO-GFCCVEGCSA-N 331.416 3.627 0 1 EHAF FC(F)(F)c1ccc(Oc2nc3ccsc3c3nnnn23)cc1 84687677 LTONFFADGSUOAY-UHFFFAOYSA-N 337.286 3.545 0 1 EHAF O=C1Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)cc2S1 96169384 MOTFTWUWLXTIEO-ROUUACIJSA-N 349.455 3.806 0 1 EHAF COc1ccc([C@H](C)Cn2ccnc2O)cc1O[C@H]1C[C@H]2CC[C@H]1C2 253682238 GWUQKOQGKGTLBN-OAOQPFQOSA-N 342.439 3.968 0 1 EHAF O=C1O[C@@H](c2cncnc2)CC(O)=C1Sc1ccccc1Cl 299835652 MGOUWIKKWTXIOK-GFCCVEGCSA-N 334.784 3.680 0 1 EHAF CC(=O)Nc1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587536266 TXBGSGOAFUSPBJ-MRXNPFEDSA-N 342.420 3.687 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccn(C)c2)N1 587755775 QNLLNVNCOKDOGF-QLJPJBMISA-N 337.236 3.724 0 1 EHAF Cc1cnc(Cl)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 587041611 NVRIZKSXZMSWDY-CHWSQXEVSA-N 344.871 3.866 0 1 EHAF Cc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587587131 LASDXJSYYNJOSG-PXNSSMCTSA-N 333.343 3.799 0 1 EHAF COc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cn1 586894997 KDSXFJCROSEMCP-UHFFFAOYSA-N 331.375 3.793 0 1 EHAF O=C1CC2(CCN(CC(F)F)CC2)Oc2c1ccc1c2CCCC1 587507505 QINHKZAUKWJMKG-UHFFFAOYSA-N 335.394 3.630 0 1 EHAF Cc1cc2nc(C[C@H](C)CCC(=O)O)[nH]c2cc1Br 587961284 REFHYTJYWDNKHC-MRVPVSSYSA-N 325.206 3.677 0 1 EHAF Nc1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1N 587074470 ATGLYYVJQSZVMM-QGZVFWFLSA-N 341.846 3.718 0 1 EHAF C[C@@H]1Cc2nc3cccc4c3c(c2C[C@@H]1C(=O)O)-c1ccccc1C4=O 587206935 OBEIENUZSNXHNC-ABAIWWIYSA-N 343.382 3.882 0 1 EHAF CC[C@@H](C)CC(=O)c1c(CO)oc2cc(Br)cnc12 587273722 OEGFUSLVQJZLFL-MRVPVSSYSA-N 326.190 3.702 0 1 EHAF Fc1ncc(Br)cc1-c1nc2cc(Cl)cnc2[nH]1 587178128 QXGIOYGZAJVQBR-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF CSC(=C[C@@]1(c2ccccn2)NCCc2ccc(O)cc21)SC 963353033 OXTDSVWZVPSEOG-GOSISDBHSA-N 344.505 3.744 0 1 EHAF CC(=O)N1c2ccc(C(N)=O)cc2[C@](C)(c2ccccc2)CC1(C)C 1772649121 NWOPZZXYRMPIBH-NRFANRHFSA-N 336.435 3.627 0 1 EHAF O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccc(O)cc2N1 13532098 PMQCIJDDBNRBBC-UHFFFAOYSA-N 343.180 3.798 0 1 EHAF CN(CCCC(=O)c1ncc(-c2ccccn2)o1)CCc1ccccc1 14980044 HLSBHAXEDUSQLL-UHFFFAOYSA-N 349.434 3.874 0 1 EHAF CC/C=C\C/C=C\C[C@@H](O)[C@H](O)/C=C/[C@@H]1C/C=C/CCCC(=O)O1 169290327 OIBRTSVGCWTYLU-BUXDZRTFSA-N 334.456 3.609 0 1 EHAF CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3cc2-c2ccc(F)cc21 169316365 OPCGZIVMGMLOGJ-UHFFFAOYSA-N 340.306 3.925 0 1 EHAF O=C(O)[C@H]1CS[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 2472411 RFPLLRQQWKGVCB-CVEARBPZSA-N 349.839 3.707 0 1 EHAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4207471 NIXCSHRGIWFKQE-RDJZCZTQSA-N 346.814 3.941 0 1 EHAF CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cccc(Cl)c1 104116240 GOFIMIRHIPLODF-MRPLLJTBSA-N 347.806 3.608 0 1 EHAF CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(C(=O)Nc3ccccc3)C1)C2 2356308306 KVFHFNPHYGBEEI-RDJZCZTQSA-N 349.434 3.533 0 1 EHAF c1cc2c(cc1[C@@H]1c3cocc3Cc3cc4c(cc31)OCO4)OCO2 26181509 OBAWZPXBYWENEA-FQEVSTJZSA-N 334.327 3.821 0 1 EHAF COc1ccc([C@@H]2CC[C@H](OCCCc3ccccn3)O2)cc1OC 29308585 XRIFQYHIEUXPPC-FXAWDEMLSA-N 343.423 3.926 0 1 EHAF Clc1ccc(N2CCN(CCc3cc4cccnc4[nH]3)CC2)cc1 27655986 QUCXOFSWCJSLHA-UHFFFAOYSA-N 340.858 3.581 0 1 EHAF COc1cc(C=CCO)cc2cc(Cc3ccc4c(c3)OCO4)oc12 2356545040 BRGSCZGIVBCYBV-UHFFFAOYSA-N 338.359 3.766 0 1 EHAF CC=C1CC[C@@H]2C3=Nc4ccccc4[C@@]34C[C@@H](C[C@H]4OC(C)=O)N2C1 2356624962 VNHKEWIAYPUPDF-OBZYLPMUSA-N 336.435 3.529 0 1 EHAF C[C@@H]1CC[C@]2(C)[C@H](CC[C@H](O)[C@]2(C)O)[C@]1(C)C[C@H](O)c1ccoc1 2356734243 ZOVNGEHLBNZAPT-LEZXFQPMSA-N 336.472 3.668 0 1 EHAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@]12O)[C@@]3(C)[C@@]12CCC[C@H]1CC[C@H]4C2 2356841391 NIBKGJSRUQHHMN-SWYONJDDSA-N 344.495 3.584 0 1 EHAF O=CN1CCc2c([nH]c3ccccc23)[C@@H]1c1cccc2cccnc12 526626 GFGHEWIJVIJRTN-NRFANRHFSA-N 327.387 3.820 0 1 EHAF biogenic CNCC[C@H](c1ccccc1)N1C(=O)C(C)(C)c2cccc(F)c21 34986256 BDOFPOSOPQRCSW-QGZVFWFLSA-N 326.415 3.801 0 1 EHAF Cn1ncc(-c2cc3c(cn2)cnn3-c2ccccc2F)c1Cl 224854199 VCVQQLOILLJUOV-UHFFFAOYSA-N 327.750 3.614 0 1 EHAF C/C=C(/COC(=O)C=C(C)C)C(=O)OC/C=C/c1ccc(OC)cc1 139340802 CVNWHGNSIXIBPG-GWKMRXIPSA-N 344.407 3.707 0 1 EHAF C[C@H](N[C@H](C(=O)O)C(C)(C)C(=O)c1ccccc1)c1ccccc1 84617910 UTWMWVDCKTZFDW-WMLDXEAASA-N 325.408 3.700 0 1 EHAF O=C(O[C@@]12CCCN(C1)/C(=C/c1ccc(Cl)cc1)C2)c1ccno1 96018847 JZZNXRWHSAVRBA-SPQRHKFCSA-N 344.798 3.764 0 3 EHAF Cc1nc(-c2cccnc2Nc2cccc3[nH]ccc23)c2[nH]cnc2n1 95555367 OBMONDJKDAOWHR-UHFFFAOYSA-N 341.378 3.948 0 1 EHAF Brc1ccc(CSc2nnc(-c3cnccn3)o2)cc1 95576779 ZUKTTYJCXBGQLB-UHFFFAOYSA-N 349.213 3.581 0 1 EHAF CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587234637 HMTJCWJMDKZYFG-NWDGAFQWSA-N 348.431 3.689 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@H]3CCCC[C@H]3C)CC1)O2 587395543 ODAGJDQTBMXOQQ-QAPCUYQASA-N 342.483 3.956 0 1 EHAF Cc1nc(C2CC2)sc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587012088 NTSIMDNRXDONIB-UHFFFAOYSA-N 325.319 3.633 0 1 EHAF COc1cncc(N)c1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 587252214 AOJWTKHSHRVBJV-UHFFFAOYSA-N 342.708 3.888 0 1 EHAF Cc1[nH]c(=N)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587532268 PDNSXMIXYRDDCL-GOSISDBHSA-N 328.437 3.623 0 1 EHAF COC(=O)C[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1C 587521295 BTXOQDUSNVFQFJ-CGSMKXTHSA-N 342.435 3.879 0 1 EHAF CCOc1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1 587414995 XKCWVPDDFOFILY-HXUWFJFHSA-N 339.391 3.619 0 1 EHAF Cc1cc(Br)cc2nc(-c3c(N)cccc3C(=O)O)[nH]c12 587248282 LMNBXLHRTBFMEA-UHFFFAOYSA-N 346.184 3.581 0 1 EHAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587152210 XUFZRDQTSHJHNK-SSDOTTSWSA-N 336.269 3.818 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)O)o1)CC2=O 587478147 GKVFFCUULJCVET-SFHVURJKSA-N 330.336 3.517 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)ccc1O)CC2=O 587477807 JJAOHGVMDKFGJN-GOSISDBHSA-N 328.364 3.765 0 1 EHAF O=C1C[C@@H](c2[nH]nc3ncc(F)cc23)Oc2c1ccc1c2CCCC1 587510171 VKXREXHGLIUNEN-INIZCTEOSA-N 337.354 3.682 0 1 EHAF CCCOc1cccc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 587778527 LSPDOCQIFCDGHF-UHFFFAOYSA-N 328.343 3.780 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CCCN1CC3 586989639 NNCMUINCXZYPQB-INIZCTEOSA-N 342.398 3.845 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C(=O)O)(c2ccccc2F)N1 962961586 XPFNKXHMIVKDNE-ODXCJYRJSA-N 338.382 3.560 0 1 EHAF CN1CCc2cn(C)nc2[C@]1(c1cc(F)c(F)c(F)c1)C(C)(C)C 963954080 GOCPNAHVZLOSFH-GOSISDBHSA-N 337.389 3.615 0 1 EHAF CC(=O)N1CCC(=C2c3ccc(C)cc3CCc3cccnc32)CC1 13861066 XDWZAQMJKQSQIJ-UHFFFAOYSA-N 332.447 3.933 0 1 EHAF CCN(C(=O)c1ncc(C#Cc2cccc(Cl)c2)cn1)C(C)(C)C 208989049 XTTAUZGSFDSVLM-UHFFFAOYSA-N 341.842 3.790 0 1 EHAF CC(=O)Nc1sc2c(c1-c1nc3c(C)cccc3s1)CCNC2 1857585669 HWXNKCKLHNAACK-UHFFFAOYSA-N 343.477 3.937 0 1 EHAF COc1cccc2c(N=c3cc(C)[nH][nH]3)nc(-c3ccccc3)nc12 1857770008 AKXYAVRNJXIEON-UHFFFAOYSA-N 331.379 3.502 0 1 EHAF N=C(NCCCCCN1CCCC1)NCC12CC3CC(CC(C3)C1)C2 3981384 RIUOTNIKARJYGR-UHFFFAOYSA-N 346.563 3.583 0 1 EHAF COc1cc2ncnc(N[C@H]3C[C@@H]3c3ccccc3)c2cc1OC(C)=O 4617802 ZXXUUYKUUAWFJM-PBHICJAKSA-N 349.390 3.532 0 1 EHAF O=Cc1ccc2c(c1)[C@@H](c1cc(O)cc(O)c1)[C@H](c1ccc(O)cc1)O2 13340013 TYAYDVXOPBERFS-RTWAWAEBSA-N 348.354 3.882 0 1 EHAF biogenic O=C(O)COc1c(C(=O)O)sc2cc(-c3cccs3)ccc12 14954992 OMLSVSVZHXWLDN-UHFFFAOYSA-N 334.374 3.791 0 1 EHAF Fc1ccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cc1 28386089 OGUGLTKFHWRPRI-UHFFFAOYSA-N 335.317 3.670 0 1 EHAF Clc1ccc2c(c1)N=C(N1CCNCC1)C(c1ccccc1)=CC2 49918261 ZLAGHHVEVSXWFG-UHFFFAOYSA-N 337.854 3.915 0 1 EHAF CC(=O)C1CCN(c2ncc(-c3cccc(N(C)C)c3)s2)CC1 66166951 DBUJRUZHAMNUJN-UHFFFAOYSA-N 329.469 3.682 0 1 EHAF O=c1[nH]c2ccccc2nc1-c1ccccc1NCc1ccccn1 95560991 QUKFWKFKTLOOTK-UHFFFAOYSA-N 328.375 3.597 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](N)C[C@]12C 95585398 AISYGARXPSSQPI-MQFJMQJISA-N 333.516 3.532 0 1 EHAF O=C(O)C1=C(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CCCC1 169326303 MCKFNFNXVNTBNR-ROUUACIJSA-N 335.403 3.972 0 1 EHAF CN(C)c1cccc(-n2c(N)nc3ccc(Nc4cccnc4)cc32)c1 169328347 APEVZQNTFNGOLM-UHFFFAOYSA-N 344.422 3.812 0 1 EHAF Cc1c(Cc2c(F)cccc2Cl)nc(SC(C)C)[nH]c1=O 169352169 YJINOCJERQMKEJ-UHFFFAOYSA-N 326.824 3.962 0 1 EHAF C[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 195484842 STDMHHFEFLFPDE-CDHAZOANSA-N 330.387 3.948 0 1 EHAF O=C(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1 584905093 MXIARVBICPPOCG-UHFFFAOYSA-N 327.286 3.669 0 1 EHAF in-vitro Cc1cccc(-c2ccccc2)c1-c1nc2c(O)nc(S)nc2[nH]1 586879468 RQMKGEBUKIXDFK-UHFFFAOYSA-N 334.404 3.990 0 1 EHAF Oc1nncc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064271 HNHMCOQAYKJGCY-UHFFFAOYSA-N 342.742 3.551 0 1 EHAF CC1(C)Cc2nc3cccc4c3c(c2C[C@@H]1O)-c1ccccc1C4=O 587207311 RIGMTFVDFYLOLC-SFHVURJKSA-N 329.399 3.932 0 1 EHAF CCOC(=O)CNc1ccc(-c2nc3c(C)c(F)ccc3[nH]2)cc1 587227447 NAWJZVIDHQRGPS-UHFFFAOYSA-N 327.359 3.652 0 1 EHAF CN(C)/C=C/[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337670 OIPNVVBHPHUDNG-SWECLWCZSA-N 341.382 3.724 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COCc3cccc(Cl)c31)O2 587379455 ISEDIMSOPSYBBL-SFHVURJKSA-N 329.783 3.622 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OC)[C@@H](C2)C3=O 587417234 AWIMFIFONRDWDN-UGSOOPFHSA-N 330.767 3.846 0 1 EHAF COc1cc2c3c(c1)O[C@@H](C[C@H](C)CCCC(C)(C)O)[C@@H](C2)C3=O 587448504 CVULCIZNYFTVAT-WQVCFCJDSA-N 332.440 3.779 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc4sccn14)[C@@H](C2)C3=O 587454046 UMEUQNOBHOEGBU-LKFCYVNXSA-N 346.795 3.547 0 1 EHAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@H](C)O)CC2=O 587489504 NRTJDYXSABNMNB-QKKBWIMNSA-N 340.419 3.672 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc([S@@](C)=O)cc1)CC2=O 587492177 NLGIEEHMJWGZNH-HOYKHHGWSA-N 344.432 3.789 0 1 EHAF O=C1CCC(=O)N1c1c(-c2ccccc2F)[nH]c2cccc(F)c12 587634158 BUHNQZMWYBZOAI-UHFFFAOYSA-N 326.302 3.767 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2N)N1 587740475 BETPEYSKAISXIM-BMLIUANNSA-N 349.247 3.968 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCCO2)N1 587832857 LFGVVSGSHXRHFE-LYSGOOTNSA-N 328.225 3.733 0 1 EHAF CC(=O)COc1cccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1 963109873 PZVURWWJUZSXDD-LAUBAEHRSA-N 339.410 3.903 0 1 EHAF CN1CCc2c(C3=CCNCC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772580131 DGLMWYAZWAVMAV-UHFFFAOYSA-N 348.425 3.738 0 1 EHAF Nc1ccc(-c2cncc3ccc(OCC4CCNCC4)cc23)cc1 1911570551 MPFRZKMXVWHOOB-UHFFFAOYSA-N 333.435 3.862 0 1 EHAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)O 2356301187 XHBMTXUISAJSCL-KSZLIROESA-N 329.440 3.746 0 1 EHAF CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(Cc3cccs3)C1)C2 2356318464 RXFGSELZZVRTCU-HOCLYGCPSA-N 326.465 3.562 0 1 EHAF COc1ccc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1OC 6247142 HQNUGASCLRHQKQ-UHFFFAOYSA-N 347.239 3.652 0 3 EHAF CN(C)CCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1 24263 MWOGGCAYFLMOGW-UHFFFAOYSA-N 347.418 3.821 0 1 EHAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)N[C@@H]1CCCC[C@@H]1O 775564 YIIBYBFYCXQKQH-OLZOCXBDSA-N 348.468 3.734 0 1 EHAF COc1ccc(C(=O)CSc2nccc(-c3cccnc3)n2)cc1 6490627 ZZLQDBDIPJWIJA-UHFFFAOYSA-N 337.404 3.522 0 1 EHAF O=C(c1ccc2c(n1)N=CC2)N1CCC[C@H]2c3ccccc3CC[C@@H]21 100620831 NQVOFZRVSLCHHE-HKUYNNGSSA-N 331.419 3.675 0 1 EHAF Cc1nc2c(OCc3ccccc3)cccn2c1CC(=S)N(C)C 27996530 YRLJGPIOJXNLJA-UHFFFAOYSA-N 339.464 3.653 0 1 EHAF COc1ccc([C@H](O)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 61926574 ZQBWGMPVNRWOIQ-KRWDZBQOSA-N 341.388 3.629 0 3 EHAF C[C@@H](C(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26390989 IGTBWNRPQOIMSD-WRRMSRMQSA-N 347.499 3.845 0 1 EHAF COc1cccc(-c2c[nH]c([C@H](O)c3cc(C)c(OC)c(C)c3)n2)c1 61898484 XVMOICDOHQPYQR-GOSISDBHSA-N 338.407 3.792 0 3 EHAF CC(C)=CCC[C@@](C)(O)[C@@H]1Cc2c(c3c(C)cccc3oc2=O)O1 14611509 WLCNFVPYTHKEQD-OXJNMPFZSA-N 328.408 3.902 0 1 EHAF biogenic C[C@H]1Nc2ccc(N3CCCCC3)cc2C(=O)N1c1ccc(O)cc1 72111347 RBUDXVKWNZFZBY-AWEZNQCLSA-N 337.423 3.801 0 1 EHAF COc1cc2c3ccn(Cc4ccccc4)c(=O)c3n(C)c2cc1OC 40393388 SDRQACIQEKQNSQ-UHFFFAOYSA-N 348.402 3.559 0 1 EHAF Cc1cn(-c2ccc3c(N)ncnc3c2F)c2c1C(=O)CC(C)(C)C2 84603759 UZANTPGYBJWKPB-UHFFFAOYSA-N 338.386 3.605 0 1 EHAF CC(C)Cc1c2c(nc3sc(C(N)=O)c(N)c13)CCCCCC2 49068521 DXODOGFEAFUUMI-UHFFFAOYSA-N 331.485 3.835 0 1 EHAF Cn1cc(-c2noc(CCNCCC(C)(C)C)n2)c2ccccc21 84687683 SGOXOEHDXYJXBI-UHFFFAOYSA-N 326.444 3.797 0 1 EHAF OC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc[nH]4)N=N[C@H]23)CC1 89469173 KNEHLHAOTWTNII-PMTKGXAQSA-N 348.450 3.882 0 1 EHAF Cc1cccc(NC(=O)c2nc(C)c(-c3ccccn3)c3cc[nH]c23)n1 95574155 PFDLBWJBXLJGAG-UHFFFAOYSA-N 343.390 3.889 0 1 EHAF CCCCNc1oc2c(C)ncc(CO)c2c1Nc1ccccn1 95577119 HPOVZKINFZDUHI-UHFFFAOYSA-N 326.400 3.979 0 1 EHAF Oc1ncc(-c2c[nH]c3ccccc23)nc1-c1ccc2c(c1)OCO2 299840094 UKFOOOLOGXNLHO-UHFFFAOYSA-N 331.331 3.726 0 1 EHAF COC(=O)c1cc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc2cc1OC 587161837 RGUUTPMSSRCOMT-STQMWFEESA-N 340.354 3.768 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)c4c(C)cccc14)[C@@H](C2)C3=O 587432032 TWRVTTGOZGTPPW-YCRPNKLZSA-N 333.387 3.984 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc4c1OC(F)(F)O4)[C@@H](C2)C3=O 587423447 JSECPGVYBBUOIL-ZBEGNZNMSA-N 346.285 3.505 0 1 EHAF CCOc1n[nH]c(-c2nc3cc(C)c(F)cc3[nH]2)c1Br 586980446 ZMMKMHULTCITHN-UHFFFAOYSA-N 339.168 3.562 0 1 EHAF CCOc1cc(F)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428807 PTEZEQPCNUFZIE-KUHUBIRLSA-N 328.339 3.722 0 1 EHAF Cc1c(F)ccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005193 BNSOMIULMRWSKX-UHFFFAOYSA-N 341.571 3.883 0 1 EHAF Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587853796 RSOLMFZEKWUJSL-WJWGPLDTSA-N 341.249 3.977 0 1 EHAF COc1cc2nc(CC(=O)OCc3ccccc3)[nH]c2cc1Cl 587782634 WDUATSRRKZYOKD-UHFFFAOYSA-N 330.771 3.511 0 1 EHAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cncc(Cl)c2[nH]1 587107509 BACSCQULCAQBCC-UHFFFAOYSA-N 341.676 3.995 0 1 EHAF CCOC(=O)Cc1ccc2nc(-c3c(F)ccc(F)c3OC)[nH]c2c1 587132334 BGNLIMKNKSSDNS-UHFFFAOYSA-N 346.333 3.622 0 1 EHAF O=C(O)[C@@]1(c2ccccc2)CCc2nc3cccc4c3c(c2C1)CC4 587215358 LWDKMILKIUGYCI-QFIPXVFZSA-N 329.399 3.845 0 1 EHAF COc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1F 587154999 IACLQXQEISQBEM-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(Cl)cccc31)O2 587380080 QABCSXZEJJHGPK-SFHVURJKSA-N 329.783 3.874 0 1 EHAF COc1nccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587226474 QPEMABBIKQWCBC-ZDUSSCGKSA-N 346.431 3.723 0 1 EHAF COc1ccc(C=O)cc1-c1nc2cc(Br)cc(F)c2[nH]1 587786430 GVRWJFDZYRVINE-UHFFFAOYSA-N 349.159 3.953 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2N)N1 587746842 IFPSMCYGCMSCEA-DYZYQPBXSA-N 349.247 3.968 0 1 EHAF C[C@@H](F)[C@@H](N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587122252 CEDMUXQAFQGGLO-SPGJFGJESA-N 340.118 3.702 0 1 EHAF COc1ccc2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)sc2c1 587415944 ZKMHOILAPCYCLP-HNNXBMFYSA-N 340.404 3.902 0 1 EHAF Cc1c(Br)cnc2[nH]c([C@@](F)(Cl)C(F)(F)F)nc12 587090685 VLHONWMFGJGHFK-QMMMGPOBSA-N 346.509 3.952 0 1 EHAF O=C1c2ccccc2-c2cc(Cc3ncccn3)nc3ccc(O)c1c23 586987953 IOOAAUFEHPNARX-UHFFFAOYSA-N 339.354 3.533 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ncc1Cl)[C@@H](C2)C3=O 587421578 QBKXJKZIEAJRBB-QFYYESIMSA-N 336.174 3.886 0 1 EHAF O=C1CCC[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 586883723 GEIFAVUYWQCMLX-ZETCQYMHSA-N 342.624 3.991 0 1 EHAF COC(=O)Cc1ccccc1-c1nc2cc(OC)c(Cl)cc2[nH]1 587783707 ZFSSJSUNNJHESV-UHFFFAOYSA-N 330.771 3.607 0 1 EHAF COc1cc2c(cc1OC)[C@H](c1c(N)cc(F)cc1F)N(C)[C@@H](C)C2 962643689 XSKRLVXIEIOVSK-APBUJDDRSA-N 348.393 3.530 0 1 EHAF Cc1cc(Cl)c2c(C(=O)OCC34CCN(CC3)CC4)c[nH]c2c1 1772639917 DCZGNMUEAXUIHE-UHFFFAOYSA-N 332.831 3.772 0 1 EHAF Cc1cc(Cl)c2oc(C(=O)N(C)CCc3cnn(C)c3)c(C)c2c1 12090513 KGRZVCMPYCTGPU-UHFFFAOYSA-N 345.830 3.751 0 3 EHAF COc1ccc(COc2c(C(C)=O)c(O)c(OC)c3occc23)cc1 13682328 VTCWIEZUIUIHBB-UHFFFAOYSA-N 342.347 3.937 0 1 EHAF CCOC1(OCC)[C@@H]2c3ccccc3[C@@H]([n+]3ccsc32)C1(C)C 13741374 WIVKIBWBECIUDK-HZPDHXFCSA-N 330.473 3.879 0 1 EHAF CN(CCCc1ccccc1)CCC(=O)c1ncc(-c2ccccn2)o1 14980038 LGDLBHZNLHEDMX-UHFFFAOYSA-N 349.434 3.874 0 1 EHAF CCC(=O)CC[C@]1(C)[C@H]2Cc3ccc(OC)cc3[C@@]1(C)CCN2C 169321823 RQDRPYWDBGAKCY-NJDAHSKKSA-N 329.484 3.979 0 1 EHAF CC(C)=CC[C@H](O)C(C)=CC[C@@]1(O)OC(=O)C(C)=C2CCC[C@@]21C 2356426134 QHIGIWVSGGPMOB-YSIASYRMSA-N 334.456 3.792 0 1 EHAF Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(N)=O)nc2n1 27411918 WCSCZDVSSDMNAS-UHFFFAOYSA-N 348.193 3.798 0 1 EHAF CC1=CCC[C@H]2[C@]1(C)[C@@H](O)C[C@@H](C)[C@@]2(C)CCC(=CC(=O)O)CO 2356579285 WRCVUQWHXHGCEC-OKHRCBHESA-N 336.472 3.540 0 1 EHAF CC=CC[C@H](C)[C@H](OC)[C@H](C)[C@H](O)C[C@H]1OC(=O)CC[C@@H]1CC 2356740598 UKUHYDSKNMYCAN-SGNPGRMLSA-N 326.477 3.723 0 1 EHAF Cc1ccc(CNc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1 35077852 SSYSQHUWGQTOJV-UHFFFAOYSA-N 345.450 3.663 0 1 EHAF CCCC1(CCC)C(=O)N=C(Nc2ccc(OCC)cc2)N=C1O 3140756 CVWAGOHCRAHRIS-UHFFFAOYSA-N 331.416 3.937 0 1 EHAF biogenic CN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3cscc32)CC1 39241380 SQMAXHXDGPAQLM-UHFFFAOYSA-N 346.887 3.809 0 1 EHAF CC1(C)NCCc2c1oc1cc(S(=O)(=O)c3ccccc3)ccc21 73223875 UJGWKHGEWIJNQV-UHFFFAOYSA-N 341.432 3.646 0 1 EHAF Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OC(F)(F)F)cc1 40953609 HLWCVVMCIUKQJK-UHFFFAOYSA-N 335.281 3.623 0 1 EHAF CCC[C@H](OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)O[N+](=O)[O-] 148047533 ITDUDGYYNLWHLL-YVEFUNNKSA-N 347.367 3.830 0 1 EHAF C[C@H](COC(=O)c1ccccc1O)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C 96934624 PLLIFMBYXYDNCU-FBXVJESZSA-N 332.440 3.762 0 1 EHAF COc1ccc(-c2cn3c(-c4ccc(N(C)C)cc4)cnc3cn2)cn1 653685047 OSLYIJHNZWZMLU-UHFFFAOYSA-N 345.406 3.533 0 1 EHAF Cc1cncc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12 587150294 RTTLSMVYORREKL-UHFFFAOYSA-N 325.322 3.612 0 1 EHAF C[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587816921 FYMFCISOOXYNLT-LYGAQUJYSA-N 340.236 3.707 0 1 EHAF Cc1nc(-c2c[nH]cc2-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cs1 587022007 UMYRTUHURKVDFL-UHFFFAOYSA-N 349.419 3.875 0 1 EHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)cc(Cl)c2[nH]1 587094412 RRMCNZFEEGIYCX-RXMQYKEDSA-N 340.132 3.999 0 1 EHAF Nc1cccc(Br)c1-n1c(O)cc(-c2ccccc2)c1O 587935611 CUWPMVDHVLZPAN-UHFFFAOYSA-N 345.196 3.900 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCC=CO2)N1 587836316 ZYTXTRMIVBVDCU-MURWCNHISA-N 326.209 3.856 0 1 EHAF COC(=O)Cc1ccccc1-c1nc2ccc3nc(C)ccc3c2[nH]1 587783193 HWGVMCYKHUFNJK-UHFFFAOYSA-N 331.375 3.802 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(F)F)cc1)[C@@H](C2)C3=O 587423251 SOIDXBQHGZRGKC-IFXJQAMLSA-N 346.329 3.828 0 1 EHAF O=S(=O)(Cc1ccccc1-c1nc2cccnc2[nH]1)c1ccccc1 586921058 BNOOZYLALBYVKE-UHFFFAOYSA-N 349.415 3.599 0 1 EHAF Oc1nc(O)c2cc(CCc3ccc(Cl)c(Cl)c3)cnc2n1 587369058 SKRSUJIPRXSVNP-UHFFFAOYSA-N 336.178 3.528 0 1 EHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(F)cc(F)c2[nH]1 587174272 IMMPKLHMVNYSFO-ZDUSSCGKSA-N 330.313 3.704 0 1 EHAF CN[C@H](c1cccnc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587226054 OIKBNHHHVURDEN-HXUWFJFHSA-N 344.418 3.846 0 1 EHAF COc1ccc(C[C@@H](C)c2nc3cc4c(cc3[nH]2)OCO4)cc1OC 587927946 ZICKBDHYUDLWDD-LLVKDONJSA-N 340.379 3.655 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)CCC[C@H]2C 587818883 GELNYOUKVJLMEA-LYGAQUJYSA-N 340.236 3.707 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(C)cc3OC)nc2c1 587924681 AKQVXVXVFNPUHA-UHFFFAOYSA-N 330.771 3.987 0 1 EHAF COc1ccc(/C=C\Cc2nc3cc4cn[nH]c4cc3[nH]2)c(OC)c1 587931081 YZYIMTATIMEHRC-ARJAWSKDSA-N 334.379 3.712 0 1 EHAF CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccccn1 587631685 HWMINMMKUMQHSY-UHFFFAOYSA-N 346.745 3.763 0 1 EHAF CCC[C@@H](O)[C@]1(CCC)NCCc2cc3cccc(OC)c3nc21 963062138 ZXMVXULKZLOUPV-XLIONFOSSA-N 328.456 3.546 0 1 EHAF C[C@@H]1C[C@@H]2Cc3c(O)cc4c(c3O[C@]2(C)O1)C[C@H]1C[C@@H](C)O[C@]1(C)O4 1857633930 NHJAWBOGTKIVMH-HWAGWQHNSA-N 346.423 3.544 0 1 EHAF COc1cccc([C@H]2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1 584630300 XMMVGDBBDROGRJ-LJQANCHMSA-N 333.391 3.606 0 1 EHAF CN1C(=O)CSc2ccc(NC(=O)NCCC3=CCCCC3)cc21 4077643 MLNRQWJWUMCHKB-UHFFFAOYSA-N 345.468 3.767 0 3 EHAF C[C@H](C(=O)O)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 2356351263 TVEXIRVZQLABEX-BBMNMQHQSA-N 330.424 3.970 0 1 EHAF OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2OC(F)F)CCC1 103539596 RCQZAACOROFKKO-AWEZNQCLSA-N 332.310 3.551 0 1 EHAF C[C@H]1N(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2C1(C)C 101228530 UBPBFBKREDKMOB-KBMXLJTQSA-N 327.472 3.508 0 1 EHAF Cc1nccn1CC[C@@H](C(N)=O)C1c2ccccc2Oc2ccccc21 26261958 RXWFWALKVIDZCQ-QGZVFWFLSA-N 347.418 3.621 0 1 EHAF COc1cc(/C=C/c2cc(OC)c(OC)cc2OC)cc(OC)c1 26185973 GJUAWVFHMLXTKN-VOTSOKGWSA-N 330.380 3.900 0 1 EHAF C[C@H](O)[C@H]1[C@@H](CO)C[C@H]2CCCC[C@@H]2[C@H]1/C=C/[C@H]1CCC[C@H](C)N1C 27729566 VPLZUHNLPZRDQE-RRAGSXFASA-N 349.559 3.847 0 1 EHAF CC(C)Oc1ccc([C@@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1 116195206 OOZUHXDNVHWMQK-SFHVURJKSA-N 336.395 3.621 0 1 EHAF Cc1ccc(-c2nnco2)cc1-c1ccc(C(=O)NCC2CC2)cc1 29131010 CQVKCSUEBQUYPS-UHFFFAOYSA-N 333.391 3.852 0 1 EHAF C/C(=C/C(=O)O)CC[C@]1(C)[C@@H](C)CC[C@]2(C)[C@H]1CC[C@@H](O)[C@@]2(C)O 35949870 JWWWAEIMVGEDRK-DWZNYUOSSA-N 338.488 3.762 0 1 EHAF CCN(C)c1ncc(C(=O)NCC2CCCCC2)c(-c2ccco2)n1 82142221 DKFHXUKNJFBZHV-UHFFFAOYSA-N 342.443 3.503 0 1 EHAF O=C(Nc1ccncc1-c1cccc(Cl)c1)c1cnn2cccnc12 95571785 GJJWKAPPVNNWLJ-UHFFFAOYSA-N 349.781 3.697 0 1 EHAF COc1cc(-n2ccc(C(=O)c3ccccc3)c2)cc(OC)c1OC 299835402 VKIWNKGQHKNBGW-UHFFFAOYSA-N 337.375 3.734 0 1 EHAF C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511828 SAZMXYLJIGLJNE-PXAZEXFGSA-N 345.439 3.812 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCOc4c(C)ccc(C)c41)[C@@H](C2)C3=O 587454807 YMUGSRKQNJBDHD-BTYIYWSLSA-N 336.387 3.737 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(Cl)n1)CC2=O 587458836 BMOVSIGUGQCRBQ-HNNXBMFYSA-N 333.771 3.805 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc4cc(Cl)cnc4o1)[C@@H](C2)C3=O 587420736 IXMFADRQSUZGQO-SJCJKPOMSA-N 341.750 3.979 0 1 EHAF C[C@H]1Cc2nc3cccc4c3c(c2C[C@@H]1C(=O)O)-c1ccccc1C4=O 587206952 OBEIENUZSNXHNC-NHYWBVRUSA-N 343.382 3.882 0 1 EHAF Cc1cccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 587038456 IJDHOVPLGRVXAF-UHFFFAOYSA-N 331.401 3.737 0 1 EHAF CC[C@]1([C@H]2CCOC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587837102 ZKCLASIRHBPISI-KNHMANMVSA-N 342.252 3.764 0 1 EHAF CCn1cc(Br)c(Cc2nc3cccc(Cl)c3[nH]2)n1 586999900 FGKDIAPQBCKQBJ-UHFFFAOYSA-N 339.624 3.786 0 1 EHAF CC[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352784 XOWWZMWBIBYXPH-HKUYNNGSSA-N 330.355 3.685 0 1 EHAF CC(C)SC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605739 DZUGBZLDFUMSQT-CVEARBPZSA-N 330.405 3.864 0 1 EHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1 587785774 OPRMQSFGBMKBLT-OLZOCXBDSA-N 327.771 3.555 0 1 EHAF Cc1nc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)co1 587776312 WMPCWHFUGNNVHR-ANRSDYALSA-N 339.208 3.682 0 1 EHAF COc1nccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116201 SXEBNIRXXOKJRD-UHFFFAOYSA-N 345.284 3.596 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1N(C)C)[C@@H](C2)C3=O 587422625 QUWCFCQMFREMOS-HXPMCKFVSA-N 343.810 3.903 0 1 EHAF CC[C@@H]1C[C@]2(CCO1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962719021 VDOLUJGOZKHGGM-SPYBWZPUSA-N 335.488 3.974 0 1 EHAF CCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(Cl)c1 962890056 AZZAFMOFEGSRAB-RDJZCZTQSA-N 349.789 3.566 0 1 EHAF Fc1cccc(OC[C@@H]2CNCCO2)c1Oc1ccc(Cl)cc1 1772644850 BVZVCTYHVKBTLY-AWEZNQCLSA-N 337.778 3.639 0 1 EHAF CCc1ccccc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 5847765 BQOHEVVWULXCRJ-UHFFFAOYSA-N 333.435 3.693 0 1 EHAF CC(C)(O)CCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2 15115019 AEMKOWDOUOTRQW-SFHVURJKSA-N 328.408 3.868 0 1 EHAF biogenic CC1=C2CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)CC/C(C)=C\[C@@H]2OC1=O 169292951 KISXSEZMRISOQB-ZYRCWTTFSA-N 334.456 3.587 0 1 EHAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1CC 169715020 OOUNFIWMNNPMEH-JKSUJKDBSA-N 343.423 3.641 0 1 EHAF Cc1ccc(NC(=O)c2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)cc1 1857645715 WZQGXJZQFHPCOU-AWEZNQCLSA-N 349.434 3.581 0 1 EHAF COc1cccc([C@H](O)c2cc(O)cc(-c3c(C)noc3C)c2)c1 1857752417 OQOCDTOXZMHWOG-IBGZPJMESA-N 325.364 3.754 0 1 EHAF Cn1c(Cn2cnc3ccccc32)nnc1SCc1ccccc1 420815 KAENUFRKSDXPLI-UHFFFAOYSA-N 335.436 3.505 0 3 EHAF CC[C@@H](O)C=CC=CCC=CCC=CC=C[C@H](O)CCCC(=O)O 2356345150 KPRHYAOSTOHNQA-MOPGFXCFSA-N 334.456 3.934 0 1 EHAF CC1(C)CCC[C@@]2(C)[C@@H]3CC(=O)c4c(coc4CO)[C@H]3[C@H](O)C[C@H]12 69482300 KXSIOWQVBAURME-HQAMDYDRSA-N 332.440 3.655 0 1 EHAF biogenic,in-vitro CC(=CCO)CC[C@H]1[C@@]2(C)CCC[C@](C)(C(=O)O)[C@H]2CC[C@@]1(C)O 2356710482 GFYNKSLVMQVEBT-CZKCSJLSSA-N 338.488 3.764 0 1 EHAF CCOC(=O)[C@]12C[C@@]1(C1CCCC1)c1cc(Cl)ccc1NC2=O 34821496 JZAKCALIRFMPLL-QZTJIDSGSA-N 333.815 3.673 0 1 EHAF O=C1NC(=O)c2c1cc(-c1ccccc1)c1[nH]c3ccc(O)cc3c21 34804031 JAOYGNATKXULEG-UHFFFAOYSA-N 328.327 3.577 0 1 EHAF O=C(c1ccccc1C1CCCC1)N(CC1CCC1)[C@H]1CCNC1 43065472 YFOORSARAMYVQM-SFHVURJKSA-N 326.484 3.948 0 1 EHAF C=C/C(C)=C/C=C/[C@]1(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H](O)C(C)(C)O1 238735770 IJRHIVJLUNPRSS-GPFWBPOTSA-N 334.456 3.871 0 1 EHAF O=C(NCCCCN1CCCCC1)c1ccc(-c2cccnc2)cc1 299858742 GTWAGKHZGAJVDJ-UHFFFAOYSA-N 337.467 3.745 0 1 EHAF O=c1cc(-c2ccc(Cl)cc2F)[nH]c2c(-c3ccccn3)cnn12 653666150 JKIFCBNSMNAFIZ-UHFFFAOYSA-N 340.745 3.544 0 1 EHAF COC(=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2n1 587086754 DSYJVMWVULPVFM-UHFFFAOYSA-N 326.743 3.546 0 1 EHAF O=C(O)c1ccccc1/C=C\c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586880504 QSTXMFTZVZESPI-WAYWQWQTSA-N 344.273 3.753 0 1 EHAF COC(=O)c1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cn1 587097227 HGLGLCBBOUDXHA-UHFFFAOYSA-N 339.248 3.569 0 1 EHAF COc1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007415 KWEFICSRGMIGGO-UHFFFAOYSA-N 343.184 3.649 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CCOC)(C1CCOCC1)CC2=O 587485680 JQSKVJCSXUSECQ-FQEVSTJZSA-N 348.439 3.512 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COc3ccc(Cl)cc31)O2 587379288 HLLGPSJFWMQDEB-GOSISDBHSA-N 327.767 3.997 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSC[C@@H]2C)N1 587859044 VDVSJTATIYSZDS-QIBSRJKCSA-N 330.266 3.701 0 1 EHAF CCOc1ccc(OCC)n1-c1cc(C)n(Cc2ccccc2F)n1 587944754 HQJOHFMDHFKXQR-UHFFFAOYSA-N 343.402 3.967 0 1 EHAF O=C1C[C@@H](c2ccccc2OCCO)Oc2c1ccc1c2CCCC1 587523820 PWWPNXOIORYTTM-FQEVSTJZSA-N 338.403 3.643 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nn1)CC2=O 587475461 MDNMNXFKQDDGQO-LJQANCHMSA-N 349.390 3.632 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCSCC2)N1 587858810 UNOHYVPANZNAKM-VIFPVBQESA-N 330.266 3.845 0 1 EHAF N=c1[nH]c(-c2cccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)cs1 587022150 UVFLMJFNJWZSNM-UHFFFAOYSA-N 345.790 3.953 0 1 EHAF COc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1OC 587070556 PHUAUNVPCNOGOV-GFCCVEGCSA-N 345.830 3.519 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc(C)c(OC)cc1C)[C@@H](C2)C3=O 587444028 QZYZRSHVHZHWLE-HRAATJIYSA-N 338.403 3.983 0 1 EHAF COCCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599150 WEMALYSQBGDENA-LPHOPBHVSA-N 328.364 3.539 0 1 EHAF N[C@H](c1ccsc1)c1nc2cc(Br)c(F)cc2[nH]1 587024442 ANVGBCFBHVWLNI-LLVKDONJSA-N 326.194 3.574 0 1 EHAF COc1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2n1 586901652 VPNAFYTUCSLOPF-UHFFFAOYSA-N 349.346 3.618 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nn(C(C)C)c1C)O2 587388790 AXIKCFHXXHNMKM-IBGZPJMESA-N 327.428 3.852 0 1 EHAF CCOC(=O)Cc1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1 587177424 IPACRKLLNCDLAR-UHFFFAOYSA-N 333.750 3.523 0 1 EHAF OCc1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120441 JCVXXRHOEIPJDB-UHFFFAOYSA-N 332.285 3.617 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(N(C)C)s1)CC2=O 587495450 ONFPIBNMWOYVST-AWEZNQCLSA-N 332.425 3.574 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(C)cc(=O)oc4c1)[C@@H](C2)C3=O 587450819 GOEBSOZQQOKYCR-BTYIYWSLSA-N 348.354 3.599 0 1 EHAF CC(C)(C)Sc1nncc(-c2cnnc(SC(C)(C)C)n2)n1 1857621057 YYIMBZDLUPTBIB-UHFFFAOYSA-N 336.490 3.505 0 1 EHAF CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCC2CC2)C1 1772570204 CEPJZYYWEDIEOG-UHFFFAOYSA-N 338.455 3.640 0 1 EHAF CCNc1ccccc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 5843714 LRPXCPVJVMDJBM-UHFFFAOYSA-N 348.450 3.562 0 1 EHAF CNC(=O)c1cc2c(Oc3ccc(COC)cc3)cncc2s1 13864445 GXYJXZGVXBXDEB-UHFFFAOYSA-N 328.393 3.595 0 1 EHAF NC1=NC[C@H](Cc2ccc(O)cc2)N1CCCCC1CCCCC1 13662147 NITXILIYZADBDB-SFHVURJKSA-N 329.488 3.684 0 3 EHAF C[C@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N2C 169363097 ISWUXQKIYIOEJI-FGYQQCIJSA-N 339.838 3.808 0 1 EHAF Cc1c(O)nc2c([nH]c3ccccc32)c1-c1cccc(-c2nn[nH]n2)c1 1857575936 UNUXXTKYOBXGHW-UHFFFAOYSA-N 342.362 3.577 0 1 EHAF Cc1ccc2nc([C@@](O)(c3ccccc3)c3ncccc3C)n(C)c2c1 1857604566 BHOFMGBDNBQBHO-JOCHJYFZSA-N 343.430 3.869 0 1 EHAF CN(CCO)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4026713 NINCEUANGIAEBE-BTUXLCJPSA-N 349.559 3.683 0 1 EHAF biogenic C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@@H]([C@]32C)[C@]1(C)CCC1=CC(=O)OC1 2356408286 ZZYXIZIKWYOQPA-VLFYUQFDSA-N 330.424 3.564 0 1 EHAF CCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2ncnn21 103539267 RAGXLUFXFUOQLM-KRWDZBQOSA-N 338.411 3.984 0 1 EHAF O=C(CN1CCC(c2ccccc2)CC1)c1c[nH]c2ccc(O)cc12 103237155 IPJJRWJVSUUDOO-UHFFFAOYSA-N 334.419 3.936 0 1 EHAF CCCCCC[C@H]1OC(=O)C[C@@]1(Cc1ccc(OC)cc1)C(=O)OC 73167257 AQDJCCLMFUHPEN-YLJYHZDGSA-N 348.439 3.683 0 1 EHAF CC(C)(C)OC(=O)N1CCC(C2CCN(c3ccccn3)CC2)CC1 71341651 LRGWOPWKHXCPLW-UHFFFAOYSA-N 345.487 3.945 0 1 EHAF C[C@H](O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801417 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345.830 3.832 0 1 EHAF Clc1cc(Br)cc2nc(CCOCC3CC3)[nH]c12 587784166 NWPVZWMJVKEKPZ-UHFFFAOYSA-N 329.625 3.948 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(F)c2)N1 587735379 UGJDXEKLXDZMOU-AYVTZFPOSA-N 339.183 3.746 0 1 EHAF O[C@@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1Cl 587059097 MHYRSXXLHCHOEV-LLVKDONJSA-N 327.693 3.712 0 1 EHAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2c(Br)cnc(Cl)c2[nH]1 587963772 STEIWSSQQLGQDM-BQBZGAKWSA-N 342.624 3.532 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCNc2c(C)cccc21 963614605 XNXXWKUHTCZCJL-QKKBWIMNSA-N 338.451 3.606 0 1 EHAF COC(=O)c1c(F)cccc1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963100776 JKHIWLTXWQLXRK-KUHUBIRLSA-N 343.373 3.861 0 1 EHAF Cc1nnc2n1-c1c(F)cc(-c3cncc(F)c3C3CC3)cc1CC2 205339116 NBYBEBRAUKIPHN-UHFFFAOYSA-N 338.361 3.892 0 1 EHAF COc1ccc(/C=C\c2cc(OC)c(OC(C)=O)c(OC)c2)cc1 13456765 GDHFPJWOVNLKQP-WAYWQWQTSA-N 328.364 3.808 0 1 EHAF CSc1nc(-c2ccc(-c3ccccc3)cc2)nn1C(=O)N(C)C 13533088 YKUXAAJJGAYTRC-UHFFFAOYSA-N 338.436 3.864 0 1 EHAF CCOC(=O)[C@]1(c2ccccc2)N=C(CC)N(C)Cc2ccccc21 13600336 XPGQIYFZIZKCPS-OAQYLSRUSA-N 336.435 3.747 0 1 EHAF Cc1ccc(N2CCN(CCCSc3ccc(F)cc3)CC2)nc1 169350278 FLNJSRMYQSEHEU-UHFFFAOYSA-N 345.487 3.834 0 1 EHAF COc1ccc(-c2cc(C(C)=O)ccc2OCc2cnccn2)cc1 1857654388 RZYWRCYFVZRHAZ-UHFFFAOYSA-N 334.375 3.934 0 1 EHAF CCc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 201226 IRTUNITZXBJNDE-GOSISDBHSA-N 338.407 3.619 0 3 EHAF CCOC(=O)COc1ccc([C@H]2CC(C)=NN2c2ccccc2)cc1 4185119 RXCVAYSJNKDUCI-LJQANCHMSA-N 338.407 3.956 0 3 EHAF COc1cc(/C=C/c2cc(=O)c3ccccc3o2)cc(OC)c1OC 103176365 WXGYIDHHCFWTDL-CMDGGOBGSA-N 338.359 3.989 0 1 EHAF C[C@]12CC(=O)[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@H]1CCCC2=CCO 2356308012 JTOOMWOXUKJUIP-AMVSUOEFSA-N 346.511 3.878 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(-c3cccn3C)cc1)O2 101501360 YOFKXSATJFBEHG-CAMMJAKZSA-N 325.408 3.516 0 1 EHAF CCc1cccc(N(C)C(=O)COc2onc(C(F)(F)F)c2C)c1 103188260 LXXSIEVAOOOCOG-UHFFFAOYSA-N 342.317 3.606 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cccc(O)c3CC[C@H]21 117625640 YSGRGDDXHXDDQL-DNVCBOLYSA-N 347.418 3.603 0 1 EHAF CCC[C@H]1CC(=O)C[C@@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@H]13 100802878 JMRCYEFEEQSEKU-ZFCZOSEKSA-N 327.468 3.589 0 1 EHAF Cc1cccc2c(C(=O)N3CCC(c4cccc(CN)c4)CC3)c[nH]c12 28471658 CDESBXHSILDHRW-UHFFFAOYSA-N 347.462 3.955 0 1 EHAF CCCCCC[C@H](C)C=C(C)[C@H](O)[C@@H]1CC(=CCC(=O)O)C(=O)O1 2356528938 NNWCGBORNRHSIQ-OWQGQXMQSA-N 338.444 3.617 0 1 EHAF Cc1ccc(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cn2)cc1 34043161 XAOUJXMYLLPPCM-UHFFFAOYSA-N 344.374 3.825 0 1 EHAF COc1ccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1OC 317019652 OIVOYLZOOFJLOF-UHFFFAOYSA-N 338.194 3.873 0 1 EHAF CC(C)=CCc1c(O)cc2c(c1O)C=C(c1ccc(O)cc1O)CO2 14762923 DRUAOMUKHSJILC-UHFFFAOYSA-N 340.375 3.951 0 1 EHAF biogenic CC[C@H]1CCCCN1c1cc(Oc2cccc(NC(C)=O)c2)ncn1 82067337 MEMQVBVDPGSIMB-INIZCTEOSA-N 340.427 3.996 0 1 EHAF NC(=O)N1CCCc2cc(-c3cncc(-c4ccc(F)cc4)c3)cnc21 221451120 BVNNZIGRPRVLBM-UHFFFAOYSA-N 348.381 3.781 0 1 EHAF 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TZFUEBAKWXEESX-UHFFFAOYSA-N 332.363 3.722 0 1 EHAF COc1ccc(CN2CCC/C=C/CC(Cl)(Cl)C2=O)cc1 1633291 ADBRZPZCJJOCNX-DUXPYHPUSA-N 328.239 3.938 0 1 EHAF COc1cc2c(cc1N)CC[C@@H]1C(C)(C)c3nc(C)ncc3C[C@]21C 1857606181 OBPITWSCEMOCBI-WIYYLYMNSA-N 337.467 3.730 0 1 EHAF CN(CCCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1 1857638624 YUDTTWNDIWVWMJ-UHFFFAOYSA-N 330.859 3.982 0 1 EHAF COc1cc(/C=C/c2ccc(O)cc2)c2c(OC)c(C)c(=O)oc2c1 13328303 CEMLQZUSSLCRBU-QPJJXVBHSA-N 338.359 3.995 0 1 EHAF O=C1[C@@H]2CC[C@@H](C2)[C@@]12C[C@]1(c3ccccc3)C(=O)c3ccccc3N1O2 17218601 BPLOZJUEXDCQPQ-BJNINDPKSA-N 345.398 3.658 0 1 EHAF COc1ccccc1/C=C/C(=O)Nc1ccc(CCCC(=O)O)cc1 26574016 FYLZMKYYKNEDGX-SDNWHVSQSA-N 339.391 3.754 0 1 EHAF O=C1C[C@H](O)C[C@@H](CCn2c(-c3ccc(F)cc3)ccc2C2CC2)O1 26832445 YXISEZLIKDLBHD-IAGOWNOFSA-N 343.398 3.628 0 1 EHAF COc1cc2c(cc1OC)C(=O)N1C=C(c3cccs3)C[C@H]1C=N2 28370798 FTFYXYWKEOBILW-LBPRGKRZSA-N 340.404 3.737 0 1 EHAF Clc1ccc(CN2CCc3ccccc3[C@H]2Cn2cncn2)cc1 28761634 UQNMOEJTHHCVPY-LJQANCHMSA-N 338.842 3.731 0 1 EHAF Fc1ccc(-c2[nH]c(CN3CCOCC3)cc2-c2ccncc2)cc1 36161023 HMVNCHWQDHYUQP-UHFFFAOYSA-N 337.398 3.715 0 1 EHAF COc1cccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)c1 38329941 JDTGPBOAWBXCCA-UHFFFAOYSA-N 331.379 3.852 0 1 EHAF OC1CCC(Nc2ccc3ncc(-c4ccc(Cl)cc4)n3n2)CC1 45335089 AXFWKKMVPHEPDF-UHFFFAOYSA-N 342.830 3.765 0 1 EHAF COc1ccc2c(c1)c(/C=C/C(=O)O)cn2Cc1ccccc1F 84633664 ZCMGCQHSWHQHIT-RMKNXTFCSA-N 325.339 3.935 0 1 EHAF C[C@@H](C(=O)O)c1c(F)cc(C[C@@H]2CCCC2=O)cc1Br 84725141 YTWMTGXABKKVSP-SCZZXKLOSA-N 343.192 3.688 0 1 EHAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@@H]1CCCC[C@H]21 169343383 KQYOJTINKKYFQN-JGVFFNPUSA-N 329.179 3.927 0 1 EHAF C[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(NS(=O)(=O)C3CC3)cc2)C1 199827325 FJXIKHZXCRQFMM-ZVZYQTTQSA-N 348.512 3.711 0 1 EHAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@](C)(O)[C@@H](O)C1 202696156 WEVYNIJDEFFKLF-RXVVDRJESA-N 346.467 3.955 0 1 EHAF Cc1nc(C(=O)N[C@H]2[C@@H]3C[C@@H]4C[C@H](C3)C[C@H]42)c(C)n1-c1ccccc1 253870071 LNFIGJSRRJNZFD-NWUOFUOCSA-N 335.451 3.654 0 1 EHAF 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341.426 3.911 0 1 EHAF CN(CCCn1c(=O)oc2ccccc21)Cc1cccc(Cl)c1 42919885 JKONBSUYLDZBNB-UHFFFAOYSA-N 330.815 3.770 0 1 EHAF Cc1cc(F)c(NC(=O)[C@H]2CCCC[C@@H]2C)cc1CN1CCOCC1 45289787 SKKAXSRZRMJLJV-YOEHRIQHSA-N 348.462 3.731 0 1 EHAF C[C@@H](Oc1nc(-c2cccc(C(=O)O)c2)cnc1N)c1ccccc1 96284809 PZNIRCZONXUEPF-GFCCVEGCSA-N 335.363 3.564 0 1 EHAF Cc1cc(C)n2ncc(C(=O)N[C@H]3CC[C@@H](C(C)(C)C)CC3)c2n1 103021112 MCQYBGOYJAACFA-SHTZXODSSA-N 328.460 3.681 0 1 EHAF CCO[C@@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccccc1 103173636 NKZGYYSYXMMGDV-QGZVFWFLSA-N 336.420 3.666 0 1 EHAF O=C1CCC[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 586883231 AEPKKIQDPFDGSU-ZETCQYMHSA-N 342.624 3.991 0 1 EHAF Cc1ccc2nc(COc3ccc(Br)cc3C)[nH]c2n1 586980871 GQPKRUDHRSEELU-UHFFFAOYSA-N 332.201 3.916 0 1 EHAF C[C@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC[C@@H]1O 586992852 YURCREZYTWYUID-BMIGLBTASA-N 331.371 3.562 0 1 EHAF COc1cc(-c2nc3cnncc3[nH]2)cc(Cl)c1OCC(C)C 587045654 ARPJJDZNZFDBNG-UHFFFAOYSA-N 332.791 3.717 0 1 EHAF CC(=O)Nc1cccc(Cc2nc3cccc(Br)c3[nH]2)c1 587241904 DKJVVAFZJFJSEW-UHFFFAOYSA-N 344.212 3.875 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(OCC3CC3)c1)O2 587399949 NZBPGUMNCQCTON-SFHVURJKSA-N 339.391 3.778 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCc4c1[nH]c1ccccc41)[C@@H](C2)C3=O 587438605 PCIXRSCTNKCCNV-BTYIYWSLSA-N 331.371 3.766 0 1 EHAF CCOC(=O)[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525815 SCNNFWHAZJIERT-UZLBHIALSA-N 328.408 3.633 0 1 EHAF Cc1nn(C)cc1-c1[nH]c2cc(F)ccc2c1C(=O)C(F)(F)F 587633612 IBXJAEHZVHFHEM-UHFFFAOYSA-N 325.265 3.761 0 1 EHAF COc1ccc(-c2ccc(-c3nc4c(=N)[nH]ccc4[nH]3)cc2)cc1OC 587928511 HZGVQAWRYGMRGR-UHFFFAOYSA-N 346.390 3.722 0 1 EHAF COc1ccc([C@H](O)[C@@H](C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 587934152 BJTSMDBVRBEEOJ-XLKFXECMSA-N 335.766 3.596 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(C[C@H](O)c2ccccn2)N1 962958205 PDJJNJDAWNAKOP-RFVSGWPVSA-N 335.451 3.826 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cnc(Cl)cc1C 963634081 IYNWNVFCRCVKID-ADLMAVQZSA-N 332.831 3.684 0 1 EHAF CSc1ccc([C@@]2(C(C)(C)C)c3nn(C)cc3CCN2C)cc1 963956033 UIDXGJWIKUXGGZ-IBGZPJMESA-N 329.513 3.920 0 1 EHAF CNc1ccc2ncnc(Nc3cccc(Br)c3)c2n1 20362 MKXXQHSAJJMCBR-UHFFFAOYSA-N 330.189 3.573 0 1 EHAF COC(=O)c1cc(C)ccc1C[C@@H](Cc1cccc(C)c1)C(=O)OC 1646088 HVUQYOHRPAQDRZ-GOSISDBHSA-N 340.419 3.664 0 1 EHAF C[C@H](CN(C)C)OC(=O)c1cc2ccccc2n1Cc1ccccc1 1654528 KUOGMXLMHOVAHX-MRXNPFEDSA-N 336.435 3.797 0 1 EHAF COC(=O)Cc1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1C(=O)OC2 5734512 STOHZNYQWIBESP-FQEVSTJZSA-N 330.424 3.930 0 1 EHAF COc1cccc(C(=O)NCC2(c3ccccc3)CCC(=O)CC2)c1 13488531 UTCUVIWUXLZPSV-UHFFFAOYSA-N 337.419 3.506 0 1 EHAF O=c1cc(N2CCOCC2)oc2c(-c3ccc(Cl)cc3)cccc12 13677235 HYBIQRLHJUFHFC-UHFFFAOYSA-N 341.794 3.950 0 1 EHAF in-vivo C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1CCCCO1 27103796 AELLXJKOLLIMNZ-ZBFHGGJFSA-N 337.427 3.569 0 1 EHAF CS(=O)(=O)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 28712000 ZVCIOOZRRPFPGF-UHFFFAOYSA-N 331.315 3.624 0 1 EHAF CCc1nnc(NC(=O)c2cc3ccc4ccc(C)nc4c3[nH]2)s1 35373882 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EHAF Cc1c(F)ccc2c1[C@](CCCC(=O)O)(c1cccc(F)c1)NCC2 962300839 QRIUVAJDYBCJFT-FQEVSTJZSA-N 345.389 3.917 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnn(CC(F)F)c2C)N1 962951544 UBZJDRYTUXSNNZ-CWTRNNRKSA-N 344.409 3.952 0 1 EHAF CC1CCN(C(=O)c2c(-c3ccc(Cl)cc3)noc2[C@@H](C)O)CC1 2356631584 HMTUTKWEMXOIIM-GFCCVEGCSA-N 348.830 3.920 0 1 EHAF Cc1cc(=O)c2c(o1)O[C@]1(C)[C@H](CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]31C)C2 2356669216 RCJJNXSFMKDPPQ-LDLGKWBMSA-N 346.467 3.855 0 1 EHAF O=C(c1ccc(F)cc1Cl)N(Cc1ccccn1)C[C@H]1CCCO1 201457298 NUUOFLNXQRFFFS-OAHLLOKOSA-N 348.805 3.696 0 3 EHAF O[C@]1(CSc2ccc(-c3ccccc3)cc2)CN2CCC1CC2 16766 VENATLDJGBZYNB-FQEVSTJZSA-N 325.477 3.902 0 1 EHAF CCC=CCC=CC[C@H](O)[C@H](O)C=C[C@H]1CC=CCCCC(=O)O1 2356490585 OIBRTSVGCWTYLU-CEXWTWQISA-N 334.456 3.609 0 1 EHAF CC(C)N1C[C@H](F)[C@@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 2356342530 FMEKQHYLCPHZRQ-FZMZJTMJSA-N 345.340 3.529 0 1 EHAF CC1=CCC(=O)[C@H](C)CC(=O)[C@H]([C@H](C)C(=O)O)[C@@H]2[C@@H](CC1)C2(C)C 2356477963 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IVIZDSYPQCSSEI-MRXNPFEDSA-N 349.333 3.894 0 1 EHAF COC(=O)Nc1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 587243587 OSPKWAYEMIIHMF-UHFFFAOYSA-N 347.172 3.566 0 1 EHAF Cc1cc(Br)cc2nc(C(C)(C)SCC(=O)O)[nH]c12 586960093 RUEPMPUYHQGONC-UHFFFAOYSA-N 343.246 3.687 0 1 EHAF COc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cc1Cl 587137269 WSEMCNWSVUUPGB-UHFFFAOYSA-N 327.693 3.891 0 1 EHAF Cc1c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905476 QLYIMSKYLBKAAB-JTQLQIEISA-N 337.301 3.915 0 1 EHAF COc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1C 587043463 QWSQUCIXIWTWDP-ZDUSSCGKSA-N 333.457 3.500 0 1 EHAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(F)cc(F)c2[nH]1 587116593 IJNZPRMHPTWIDI-UHFFFAOYSA-N 336.651 3.914 0 1 EHAF COC1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587812053 PBDQQBGIKSDPQW-WCVRRQIGSA-N 342.252 3.907 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1occc1Br)[C@@H](C2)C3=O 587412611 JFQSAACFGHGZFQ-QFYYESIMSA-N 349.180 3.714 0 1 EHAF CC(=O)Nc1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 5003135 SBFPOEBTWGKLKU-UHFFFAOYSA-N 330.343 3.599 0 3 EHAF CCN1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1 2921807 RVACPJVBDYOQLT-UHFFFAOYSA-N 336.414 3.578 0 1 EHAF O=C1N(c2ccccc2)C[C@@H]2C[C@@H](/C=C/c3ccco3)N3CCC[C@@]123 12719025 MVRGYFOMSOPOKB-DPBZAHIMSA-N 334.419 3.563 0 1 EHAF N=C1CCN(CC[C@H](O)COc2ccccc2-c2ccccc2)CC1 28469001 BQIQDLCMJPEBGY-IBGZPJMESA-N 338.451 3.599 0 1 EHAF CC(C)=CCC[C@](O)(CO)[C@H]1CC/C(=C\CCc2ccoc2)CO1 29042228 JRRKNNHWQABOMA-ZKCRXDLMSA-N 334.456 3.787 0 1 EHAF CC[C@@H]1C[C@H]2C[C@@H](C(=O)OC)c3[nH]c4ccccc4c3CCN(C2)C1 31948162 OXTRSDFIRKYKEX-RVKKMQEKSA-N 340.467 3.719 0 1 EHAF biogenic Cc1cccc(CC2CCN(C(=O)c3nc4ccc(O)cc4[nH]3)CC2)c1 35259642 YDZMDZHUSDVILG-UHFFFAOYSA-N 349.434 3.672 0 1 EHAF COc1ccc(/C=C(\F)c2cc(OC)c(OC)c(OC)c2)cc1N 40874894 ZUMOXDRSPFSJNV-QPEQYQDCSA-N 333.359 3.771 0 1 EHAF Cc1ccc(N2CCN(c3cc(=O)oc4ccc(C)cc34)CC2)cc1 49615288 GFXLHTAEMCVYNJ-UHFFFAOYSA-N 334.419 3.736 0 1 EHAF CC(C)CC(=O)Nc1nc(-c2ccccc2)c(-c2ncon2)s1 58575912 OZCSFIXYRIPWAT-UHFFFAOYSA-N 328.397 3.845 0 1 EHAF CC1(C)C=Cc2cc([C@H](O)c3cn(Cc4ccccc4)nn3)ccc2O1 72182019 HAQRAWLDPZTTAJ-FQEVSTJZSA-N 347.418 3.592 0 1 EHAF NC(=S)Nc1cccc(-c2nnc(SCc3ccccc3)o2)c1 73164665 WPASTAXOCAKYDN-UHFFFAOYSA-N 342.449 3.684 0 1 EHAF CCN(C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc(C)c1 82160080 HPDYERVYJNVPCY-UHFFFAOYSA-N 340.471 3.636 0 1 EHAF O=C(NC1CCCC1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95597319 RHVOATXSWKOVKB-UHFFFAOYSA-N 347.846 3.756 0 1 EHAF O=C1CCC2(CCC(NCc3cccnc3)CC2)N1Cc1ccccc1 96075886 LPTAETNZIDBFBG-UHFFFAOYSA-N 349.478 3.675 0 1 EHAF COc1ccc(-c2ccnc(N(C)C)n2)cc1OCc1ccccc1 96937579 UHJGJXOANNRSIY-UHFFFAOYSA-N 335.407 3.797 0 1 EHAF O=C(NO)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 114362775 AABXKPIHZYSISK-UHFFFAOYSA-N 346.386 3.576 0 1 EHAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 118933918 ODNGPDQXZHFBIW-OOPQRHICSA-N 330.468 3.852 0 1 EHAF COc1c(O)ccc2c1-c1ccc3cc4c(cc3c1N(C)C2)OCO4 473088046 NOIICSGPJVVYQI-UHFFFAOYSA-N 335.359 3.900 0 1 EHAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586888995 KJRPDDLLDPUHSB-RNCFNFMXSA-N 332.347 3.760 0 1 EHAF CCc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)cc1Br 586975958 AFDNUCVFTIJTNU-UHFFFAOYSA-N 343.228 3.839 0 1 EHAF N[C@@H](c1ccsc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587025185 IXCJIUGGDSFNBO-JTQLQIEISA-N 344.184 3.713 0 1 EHAF CC(C)(C)Oc1cc(-c2nc3cnc(Cl)[nH]c-3n2)c(N)cc1F 587136303 MWEFRILGMMDCIT-UHFFFAOYSA-N 335.770 3.524 0 1 EHAF COC1=C[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351437 MTTGGLANQGREOV-UYAOXDASSA-N 340.350 3.953 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)ccn1)O2 587374373 XLTVEKNCDWOISU-MRXNPFEDSA-N 347.212 3.615 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)N(C)C(=O)OC(C)(C)C)O2 587388237 YWCKLOWXXQLARJ-OAHLLOKOSA-N 348.443 3.557 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C)C(=O)O)(c1ccccc1)O2 587407341 ILJRABMBDVOIFF-ZUOKHONESA-N 339.391 3.549 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccnc4ccc(F)cc14)[C@@H](C2)C3=O 587428689 QCCSMTOOSVTONK-MGPUTAFESA-N 335.334 3.871 0 1 EHAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)N)CC2=O 587472859 NRMBGWFNLJPDGO-RBZFPXEDSA-N 325.408 3.553 0 1 EHAF O=C1C[C@H](c2n[nH]cc2Br)Oc2c1ccc1c2CCCC1 587501244 ZZKVKISQOSCYBC-CQSZACIVSA-N 347.212 3.758 0 1 EHAF CO[C@H](c1cncs1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536774 ZZAAOZZCPBVNOB-YJBOKZPZSA-N 329.421 3.743 0 1 EHAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587586490 INZWFLTXRXQSOA-GHTZIAJQSA-N 347.370 3.973 0 1 EHAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 587587645 NROVEYUFQGNWIK-XLIONFOSSA-N 333.343 3.799 0 1 EHAF Cn1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)n1 587629309 JTILBGDLQNSTIK-UHFFFAOYSA-N 327.693 3.809 0 1 EHAF C/C(=C\N(C)C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587741524 OBGZERARCKASBA-MZOZHOLYSA-N 327.241 3.629 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCn3cccc32)N1 587773376 QXKLUYKWLDTFCZ-QFYYESIMSA-N 335.220 3.571 0 1 EHAF CC(C)(C)[C@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962903436 XHRCJRCUICMZNN-OXJNMPFZSA-N 345.389 3.853 0 1 EHAF COc1ccc([C@@H]2C[C@@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1OC 1772592557 LWSUMCKFRZPDBU-WHJMJZORSA-N 336.403 3.589 0 1 EHAF COc1cccc2cc3c(cc12)C(=O)N(CCc1ccc(F)cc1)C3=O 1857562113 TZBNKLNJZOVSJQ-UHFFFAOYSA-N 349.361 3.826 0 1 EHAF Cc1ccc(NC(=O)CSc2cnc(-c3ccccc3O)[nH]2)cc1 1857597003 COFILWDIEYUEJN-UHFFFAOYSA-N 339.420 3.822 0 1 EHAF CCOC(=O)Nc1cc(-c2c(C3CC3)n[nH]c2C)cc2[nH]ncc12 1857751716 HFLJALJPXQJGSS-UHFFFAOYSA-N 325.372 3.707 0 1 EHAF CCCCN(C(=O)CC)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 2356828013 IRJSPDGRXZWKSG-LJQANCHMSA-N 345.487 3.610 0 1 EHAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@H](C)[C@H]2CC[C@@](C)(O)[C@@H](CC1)O2 2356861444 UIXXPUQGCNBHRT-YRNPXERVSA-N 334.456 3.683 0 1 EHAF CC[C@H](C)NC(=O)c1sc2ncnc(N3CCC(C)CC3)c2c1C 223797 OEJPGNKHARDEFL-LBPRGKRZSA-N 346.500 3.764 0 1 EHAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NC[C@H](O)CC 4212270 FIFMXACLTWHOMK-NZSAHSFTSA-N 346.471 3.588 0 1 EHAF CCN1[C@H]2CC[C@H]1CC(OC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C2 102071580 ZFYZETKHCWUZHQ-SNPRPXQTSA-N 337.847 3.666 0 1 EHAF COc1ccc([C@@H](C)NC(=O)Cc2ccc(C(C)(C)C)cc2)nc1 66156886 XNJZKWRGHNXPBD-CQSZACIVSA-N 326.440 3.808 0 1 EHAF C[C@@H]1O[C@@H]2O[C@H](c3ccoc3)C[C@]2(c2cccc3c2OCC3=O)[C@H]1C 2356527782 MXUISQQTSVGKKO-ZDIRXWHLSA-N 340.375 3.635 0 1 EHAF Oc1cc2c(cc1Br)[nH]c1c(C3=NCCC3)nccc12 6119109 OBXOGGAUVYIAIJ-UHFFFAOYSA-N 330.185 3.767 0 1 EHAF biogenic CN1CCN(C2=Nc3ccc(Cl)cc3Oc3cc(F)ccc32)CC1 36473767 NBMDNUKKIXJADO-UHFFFAOYSA-N 345.805 3.911 0 1 EHAF Clc1ncnc2c1nc(Br)n2[C@@H]1C[C@H]2CC[C@@H]1C2 72109217 JFLULGZRMTXFGV-XLPZGREQSA-N 327.613 3.603 0 1 EHAF Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 40379912 IRDOMFKPNLFWGW-UHFFFAOYSA-N 333.391 3.537 0 1 EHAF C[C@@H]1O[C@@H](CCc2cccc(Cl)c2)Cc2[nH]c(=S)[nH]c(=O)c21 95602313 QJGGWLCEZDOFTP-CABZTGNLSA-N 336.844 3.721 0 3 EHAF Cc1n[nH]c(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)n1 143350384 XYFUMLHEKGBRJC-INIZCTEOSA-N 331.297 3.559 0 1 EHAF COc1ccc(-c2ccccc2[C@@H]2N[C@@H](C(=O)O)CC[C@H]2C)cc1 253979396 OUYDJLDGKVKXPM-UPRAQXHNSA-N 325.408 3.876 0 1 EHAF COc1cc(-c2nc(-c3ccsc3)cnc2O)cc(OC)c1OC 299839517 SJXPTBKJNMSAFQ-UHFFFAOYSA-N 344.392 3.604 0 1 EHAF C[C@]1([C@@]2(C)CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587618280 TXGPKYWNZBFODL-DBVUQKKJSA-N 340.375 3.682 0 1 EHAF Cc1cnccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587795 PWEBNDJBXJJZHK-RXVVDRJESA-N 347.370 3.973 0 1 EHAF O=C1O/C(=C/c2nc3cc(C(F)(F)F)ncc3[nH]2)c2ccccc21 586906557 NWRXYDCKQGZMEX-WUXMJOGZSA-N 331.253 3.645 0 1 EHAF Cc1ccc(SCc2nc3nc(Br)c[nH]c-3n2)c(C)c1 586963326 HONUVVGXIYQHHN-UHFFFAOYSA-N 349.257 3.976 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccn1)[C@@H](C2)C3=O 587420853 HVQIOQIEWXDJRV-ZBEGNZNMSA-N 335.281 3.598 0 1 EHAF O=C(O)c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1F 587152503 OSCXLJHSIALVAU-RKDXNWHRSA-N 332.281 3.950 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccnc(Cl)c2[nH]1 586916102 KGKQDXWKEBGFKI-SGTLLEGYSA-N 341.798 3.828 0 1 EHAF Clc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)OCCO4)O2 587080414 MTMGOLJDUALTEW-INIZCTEOSA-N 328.755 3.664 0 1 EHAF Cc1cnc(Cl)c2[nH]c([C@@H](CN)Cc3ccc(Cl)cc3)nc12 587071275 ZAMVQAUBJHOTLS-LLVKDONJSA-N 335.238 3.858 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c(C(C)=O)c1C)[C@@H](C2)C3=O 587439983 XWPFJZMEEQPEMX-XOBRGWDASA-N 339.391 3.506 0 1 EHAF CC(=O)NC1(c2nc3ccc(OC(C)C)cc3[nH]2)CCC(C)CC1 587234745 USQSCAOIVPURLV-UHFFFAOYSA-N 329.444 3.892 0 1 EHAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 586885200 BRIRDCJHHVYOKF-HWPZZCPQSA-N 328.343 3.546 0 1 EHAF O=C(O)CC[C@@]1(c2ccc[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 587524732 JVYFXMNOXWGASQ-FQEVSTJZSA-N 339.391 3.619 0 1 EHAF O=C(O)c1c[nH]c2cc(-c3cc4c5c(cccc5n3)CC4)ccc2c1=O 587211695 HUYUFVXESGXQIA-UHFFFAOYSA-N 342.354 3.540 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc([C@H](C)N(C)C)cc1)[C@@H](C2)C3=O 587429599 QFAXSMNQRBTVQQ-LJOBPSPCSA-N 337.419 3.807 0 1 EHAF COC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2n1 587110275 YGXWZBOXXAVHGI-UHFFFAOYSA-N 339.248 3.569 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnn(C4CCCCC4)c1)[C@@H](C2)C3=O 587431622 LAWJFOUOIIYHGJ-OXJNMPFZSA-N 338.407 3.886 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CSCc4c(F)cccc41)[C@@H](C2)C3=O 587426366 CRBVGJAYDMIFJE-IFXJQAMLSA-N 342.391 3.724 0 1 EHAF COc1ccc([C@@H]2NCCc3cccc(Cl)c32)cc1OC(C)=O 963389476 ALFXQVRMMPBLFH-SFHVURJKSA-N 331.799 3.509 0 1 EHAF CC(C)Nc1nc(Nc2cncc(F)c2)nc(-c2ccccc2F)n1 222735034 WWXORIVZQLAVGN-UHFFFAOYSA-N 342.353 3.776 0 1 EHAF Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(Cl)c1 146808813 BNEDYWDXODJLAY-UHFFFAOYSA-N 343.770 3.506 0 1 EHAF CC(C)(O)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2 13480863 HEIKHXMGSYQVGA-NSISKUIASA-N 332.440 3.715 0 1 EHAF COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC(C)C 169342047 SWMXKAZFVMQVPA-UHFFFAOYSA-N 332.400 3.524 0 1 EHAF Cc1cc(C(=O)O)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169700063 KTODOJCZZWDEPR-UHFFFAOYSA-N 347.374 3.652 0 1 EHAF O=N[C@@H](CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 169719687 KWFLSEGDWNNROP-KRWDZBQOSA-N 344.846 3.755 0 1 EHAF C/C=C(\C)C(=O)O[C@H]1C[C@@]2(C)CC[C@@H](C(C)C)[C@@]2(O)CC[C@@]1(C)O 5480238 SARMJLPHTLNPQI-RCQGFUFYSA-N 338.488 3.603 0 1 EHAF COc1cccc(-n2ccnc2-c2cc(OC)c(OC)c(OC)c2)c1 1857553565 OEWCCHZOLKKZEK-UHFFFAOYSA-N 340.379 3.574 0 1 EHAF O=c1cc(OCCOc2cccc(F)c2)ccn1-c1ccc(F)cc1 1857629556 YMIYIWDTOKUAOY-UHFFFAOYSA-N 343.329 3.574 0 1 EHAF C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)cc23)c1C 1857768670 GRZLYXQCDVBNTB-UHFFFAOYSA-N 333.391 3.675 0 1 EHAF CC(C)=CCC[C@H](C)[C@@H]1[C@H](O)CC(C)=CCC=C2C(=O)O[C@@H](O)[C@]21C 2356389401 UDBMXSHEOFDSFE-UMBWAWJWSA-N 348.483 3.894 0 1 EHAF CCc1nnc(NC(=O)c2cc3c(C)nc4ccccc4c3o2)s1 4902742 MZJZBQQWXCEHIH-UHFFFAOYSA-N 338.392 3.956 0 1 EHAF O=C1Nc2ccc(F)cc2C1(c1ccc(O)cc1)c1ccc(O)cc1 28883989 IJIHPPHCPHSQDI-UHFFFAOYSA-N 335.334 3.523 0 1 EHAF COc1cc2c(cc1OC)[C@H](c1ccccc1Br)NCC2 29125337 AXOQZSCPPBRDTD-KRWDZBQOSA-N 348.240 3.701 0 1 EHAF CCOC(=O)/C=C(/C)COc1ccc(C[C@H]2CCCC[C@@H]2O)cc1 28878172 IXHIMBPFWQOBGZ-MEIBIQBFSA-N 332.440 3.668 0 1 EHAF O=C(NCc1ccccc1)[C@@H]1CCC[C@H]1[C@@H](O)CCc1ccccc1 28571633 HXBYYOUDUSAAAQ-NJYVYQBISA-N 337.463 3.713 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](O)[C@]12C 2356569760 RHWFWNVZBUNMDN-CLKWJJAWSA-N 332.396 3.502 0 1 EHAF Clc1cccc(-n2nnnc2N[C@H]2COc3ccccc32)c1Cl 35846085 CXQYQQWAWYAFEE-NSHDSACASA-N 348.193 3.515 0 1 EHAF O=c1cc(-c2ccccc2)oc2c(-c3cccnc3)c(O)cc(O)c12 72118049 RQGMCSGTLHPVCO-UHFFFAOYSA-N 331.327 3.933 0 1 EHAF C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(O)ccc(O)c3cc12 15266375 WXLYRCGVTYXHMS-FQEVSTJZSA-N 334.327 3.671 0 1 EHAF biogenic Cc1ccc(Nc2nccc(NC[C@@H](O)c3cccc(C)c3)n2)cc1 45202119 BPYMCSAAQSNAPH-GOSISDBHSA-N 334.423 3.983 0 1 EHAF CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCC1CCCCC1 49067543 YVFSEWHRDYADAH-OAQYLSRUSA-N 343.467 3.734 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1[S@@]2=O 40587722 MIMHZFDDUBVDSD-WGDRFTRLSA-N 347.263 3.550 0 1 EHAF COc1ccc([C@H]2C[C@H]2c2ccc(OC)c(OC)c2OC)cc1N 95580773 FDLBBDCAFVBHTA-KGLIPLIRSA-N 329.396 3.574 0 1 EHAF CCCCOC(=O)c1ccc(NC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 299808453 UITXTNXEIFGSBI-QRTARXTBSA-N 330.428 3.954 0 1 EHAF CCOC(=O)c1ccccc1-n1nc(C)c2c1CC(C)(C)CC2=O 299835965 XDIFSYAQXYESOU-UHFFFAOYSA-N 326.396 3.513 0 1 EHAF O=CNc1ccccc1-c1[nH]c2cc(Cl)c(F)cc2c1CC(=O)O 587631628 RHGMCSQFSLTVPX-UHFFFAOYSA-N 346.745 3.823 0 1 EHAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)no1 587587475 NYPPMDNHVXUESI-LPHOPBHVSA-N 337.331 3.566 0 1 EHAF C[C@]1([C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355708 GDDGTUBPXSNBLC-CFSSXQINSA-N 342.366 3.685 0 1 EHAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cc(Cl)ccc1O 587637965 HNCOOAKJYBEHEQ-UHFFFAOYSA-N 329.739 3.765 0 1 EHAF Cc1cc(F)c2[nH]c([C@H](N)Cc3c[nH]c4ccc(F)cc34)nc2c1 587175817 WPGDQBFAAACMNV-CQSZACIVSA-N 326.350 3.873 0 1 EHAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cncc(Cl)c2[nH]1 587233172 JXEMISLQJGBRNB-ONGXEEELSA-N 336.823 3.772 0 1 EHAF CC[C@@H](C)Sc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587409994 OYNACAYGVMMQBA-BDJLRTHQSA-N 343.452 3.964 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C)CCOCC2)N1 587835529 PHNSFHMKNVMOJQ-MEBBXXQBSA-N 342.252 3.980 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C[C@@H]1CCCOC1 587615338 GPBKSADKOTVIEI-VHSSKADRSA-N 340.375 3.539 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCC=CO2)N1 587836314 ZYTXTRMIVBVDCU-DDHOLCJHSA-N 326.209 3.856 0 1 EHAF COC(=O)[C@@H](N=O)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587105054 ZVTRRKQHYLDUCM-SFHVURJKSA-N 346.342 3.735 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CC(C)C)(C(=O)OCC)CC2=O 587476953 BWOYZTMCPJFTOR-LJQANCHMSA-N 334.412 3.658 0 1 EHAF COc1c(O)cccc1[C@@H]1c2cccc(Br)c2CCN1C 963270647 QIKDVZGQPXQMJZ-INIZCTEOSA-N 348.240 3.741 0 1 EHAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2cnc3[nH]ccnc2-3)cc1 962662651 FLWNEGRNKRSNJZ-LJQANCHMSA-N 326.403 3.812 0 1 EHAF CC(C)[C@H]1CC[C@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 5442676 QTYCMDBMOLSEAM-KBAYOESNSA-N 333.863 3.588 0 1 EHAF in-vitro CC(=O)c1cccc(-c2cnc3ccc(-c4cccc(N)c4)nn23)c1 1857610184 UYXPPVRPPHJGQA-UHFFFAOYSA-N 328.375 3.848 0 1 EHAF CC(=O)N(CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O 412542 UBFDGFJFNNKPQF-UHFFFAOYSA-N 348.446 3.736 0 3 EHAF Cc1c(Cc2c(F)cccc2F)nc(N(C)c2ccccc2)[nH]c1=O 28866200 HDVRTCXSRDLUCU-UHFFFAOYSA-N 341.361 3.715 0 1 EHAF CN1CCN(c2nc3ccccc3nc2Sc2ccccc2)CC1 29053972 WCRJHTJTIYOSMJ-UHFFFAOYSA-N 336.464 3.533 0 1 EHAF Cc1cnc(CN(CCCCN)[C@H]2CCCc3cccnc32)c(C)c1 66074551 RWOKPEBGBZGDQJ-FQEVSTJZSA-N 338.499 3.712 0 1 EHAF O=C1[C@H]2[C@H]3C=C[C@H](C3=C3CCCCC3)[C@H]2C(=O)N1Cc1ccccc1 36383755 XOSPGPNKDYEJGU-TZRIAGMCSA-N 333.431 3.864 0 1 EHAF CC(=O)Nc1cccc(-c2ccc3c(c2)COCC(=O)N3C(C)C)c1 74374993 ADCTUKPMRSNBGI-UHFFFAOYSA-N 338.407 3.584 0 3 EHAF CCN(CC)C(=O)[C@H]1CCCc2c1c1c(OC)cccc1n2CCF 73198865 ZVDVQPLDTTXLKI-AWEZNQCLSA-N 346.446 3.908 0 1 EHAF CCN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1 40425276 GYJUQRIRWMPONQ-UHFFFAOYSA-N 344.421 3.936 0 1 EHAF CCCC(=O)N1CCc2cc(OC)c(O)c3c2[C@@H]1Cc1ccccc1-3 198810417 WAUASOMBVUHOLC-INIZCTEOSA-N 337.419 3.850 0 1 EHAF O=C(c1cnc(NCC2CC2)nc1-c1ccccc1)N1CCCCC1 82133161 QANPHMGNSLRVGO-UHFFFAOYSA-N 336.439 3.592 0 1 EHAF O=C1O[C@]2(Oc3c(cccc3-c3ccccc3)C2=O)c2ccccc21 95590465 UDVMUFNZIBMVGE-OAQYLSRUSA-N 328.323 3.952 0 1 EHAF CCC(=O)OCc1cccc2oc(OC)c(CC=C(C)C)c(=O)c12 238762906 JBAWIJKVLQIHAW-UHFFFAOYSA-N 330.380 3.764 0 1 EHAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(C)c(Cl)c1 253848666 AVKXQSPVMFIMNB-VWOABYHWSA-N 331.843 3.688 0 1 EHAF O=C1Nc2ccc(Cl)cc2[C@@](/C=C/C2(O)CC2)(C(F)(F)F)O1 299832888 GWQADCYXDAUKHR-GFUIURDCSA-N 333.693 3.741 0 1 EHAF C[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3Cl)=NN2C1=O 653692073 WMNWUDGVCSLKCA-BDJLRTHQSA-N 326.783 3.799 0 1 EHAF Nc1ccnc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498539 IWYBFGUXAWWQBH-OAHLLOKOSA-N 328.799 3.903 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(OC(F)F)c1)[C@@H](C2)C3=O 587422258 CPLJFAFQGMPXJU-SUMWQHHRSA-N 332.302 3.785 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)C[C@@H](C)N4C)[C@@H](C2)C3=O 587438344 OLLWJZGJVVMFOA-DBLBYYFGSA-N 335.403 3.565 0 1 EHAF N[C@H](N=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 587161377 QURWTEIUXDSHNI-CYBMUJFWSA-N 349.163 3.855 0 1 EHAF CC(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 587126033 JLOVBYDCSSZINX-UHFFFAOYSA-N 326.318 3.706 0 1 EHAF COCC[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429144 SWUOIYSMJBSPIN-UZLBHIALSA-N 342.366 3.514 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccnn1-c1ccccc1C)[C@@H](C2)C3=O 587433470 YSHIDSLTWOUUJI-YCRPNKLZSA-N 346.386 3.678 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)cccc1Br)O2 587378146 SASZMSCDDJZACY-CQSZACIVSA-N 348.196 3.752 0 1 EHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)F 587622121 YBZYVTMZDPOBMU-UHFFFAOYSA-N 346.106 3.860 0 1 EHAF COc1ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2n1 587068935 GLSNPJGWZAWTOZ-JTQLQIEISA-N 329.787 3.996 0 1 EHAF Cc1c(-c2c(F)cc(F)cc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587650488 XUHHUXDAYOHNRX-UHFFFAOYSA-N 339.338 3.964 0 1 EHAF NC(=O)c1cccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 587174295 GOWLOWQEJNEGBO-UHFFFAOYSA-N 328.734 3.603 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](N=O)[C@H]2CC[C@]1(C)C2(C)C 587386359 INTUQTLNVGUJQD-QUSXHRHCSA-N 328.412 3.872 0 1 EHAF Cc1cncc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587204838 MKLZYMADPWWXTQ-CYBMUJFWSA-N 332.448 3.748 0 1 EHAF Cc1n[nH]c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587800602 BUTBHOGKRGHWAM-ZIDLFYJRSA-N 338.224 3.552 0 1 EHAF CCOC(=O)[C@H]1CCCCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587398184 CMOBMSCZSRTNHX-QRWLVFNGSA-N 345.439 3.815 0 1 EHAF Cc1ccc2c([C@@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)c(C)[nH]c2c1 963036607 UKHXJHPSWGSBNA-RCDICMHDSA-N 345.446 3.927 0 1 EHAF CC(=O)Nc1sc2c(c1-c1nc3ccc(C)cc3s1)CCNC2 142995289 JCEHLMPYPYRIEI-UHFFFAOYSA-N 343.477 3.937 0 1 EHAF O=C1Cc2ccccc2N1C1CCN([C@H]2CCc3ccccc3C2)CC1 13561279 MGIADQYKMHMDKW-NRFANRHFSA-N 346.474 3.598 0 1 EHAF O[C@H](C[C@@H]1CCCCN1)[C@@H]1CC=Nc2c1cccc2C(F)(F)F 169338226 BXDJPRAMIBKNMC-YWPYICTPSA-N 326.362 3.788 0 1 EHAF CC(=O)[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 2356316149 IDNNKANZNRRSDH-LOVDNMFISA-N 332.484 3.918 0 1 EHAF COCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 2483083 NTNZRSZCGAVBNW-UHFFFAOYSA-N 340.354 3.524 0 1 EHAF Cc1ccccc1N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 2907977 ZYOMAYKYHBBZOY-RTBURBONSA-N 344.480 3.697 0 1 EHAF Nc1nc(/C=C/c2ccccc2)c2ncn(Cc3ccccc3)c2n1 6581065 QRVFONIBSNLLRW-VAWYXSNFSA-N 327.391 3.627 0 1 EHAF CC(=O)C[C@@H]1c2cc(Cl)ccc2N=C(n2ccnc2)N1C(C)C 103182381 XGOVOQFDCBFCKP-MRXNPFEDSA-N 330.819 3.817 0 1 EHAF CCOC1(OCC)[C@H]2c3ccccc3[C@@H]([n+]3ccsc32)C1(C)C 100726802 WIVKIBWBECIUDK-JKSUJKDBSA-N 330.473 3.879 0 1 EHAF COc1ccccc1CN1CCC(CCCC(=O)c2ncco2)CC1 29126679 FVIGQEDZDBFLQP-UHFFFAOYSA-N 342.439 3.948 0 1 EHAF CCCc1cc(CCC)n2nc(SCc3cccnc3)nc2n1 27423054 RUSGYQOSZHYENU-UHFFFAOYSA-N 327.457 3.717 0 1 EHAF Cc1ccc2nc(NC(=O)NCc3nc4ccccc4[nH]3)sc2c1 28864067 JPWWZYLEZHPUGI-UHFFFAOYSA-N 337.408 3.803 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)[C@H](O)CC[C@]21C 2356471768 YSIVERHSGIJYEX-KMJHBWPFSA-N 338.488 3.762 0 1 EHAF CCN(CC)CCCN1CC/C(=C\c2ccc(OC)c(OC)c2)C1 27083308 ZQTPOLGXTRSJKA-NBVRZTHBSA-N 332.488 3.525 0 1 EHAF CC(C)N1C(=O)N[C@@H](c2cccc(F)c2)c2cc3c(cc21)OCO3 39290285 SLSJIUVGQLHRNL-KRWDZBQOSA-N 328.343 3.582 0 1 EHAF CC(C)[C@H]1c2ccc(O)cc2C[C@@H]2C(=O)N(C3CCCCC3)C(=O)N12 45301474 WNTLCYJHJNHJFK-MSOLQXFVSA-N 342.439 3.611 0 1 EHAF O=C(O)c1cn(C2(c3ccccc3)CC2)c2c(F)ccc(F)c2c1=O 45390595 FZLQCFPOJOPOJG-UHFFFAOYSA-N 341.313 3.515 0 1 EHAF OCCCOc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1 84596413 OHKJESZTLRXJBS-UHFFFAOYSA-N 345.402 3.849 0 1 EHAF CC[C@]12CCCN(CCc3c([nH]c4ccccc34)[C@H](C(=O)OC)C1)C2 85982299 JFLTVMWSBAMWAW-UTKZUKDTSA-N 340.467 3.863 0 1 EHAF O=C(c1cccnc1Oc1ccc(Nc2ccccn2)cc1)N1CCC1 147975705 PJWFTRKZYKEGCB-UHFFFAOYSA-N 346.390 3.858 0 1 EHAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2cccc(C)c2)C1=S 95872976 YRWANVLDMWTYRA-UHFFFAOYSA-N 346.452 3.788 0 1 EHAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2[C@@H](OC)C[C@]2(C)C(=O)CCC[C@@H]12 238735065 HZJBJVDHAZGTAN-JYDIPVGNSA-N 344.451 3.841 0 1 EHAF CC(=O)Oc1cc(OC(C)=O)cc(-c2cc3c4c(cccc4n2)CC3)c1 587213029 FHIXKPBWTRRSNT-UHFFFAOYSA-N 347.370 3.851 0 1 EHAF C[C@]1(c2nc3cc(F)cc(F)c3[nH]2)C=C(c2ccccc2F)NO1 587156744 POVPCXQJDCBMPD-QGZVFWFLSA-N 331.297 3.771 0 1 EHAF COc1ccc2c(c1)OCCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587415012 XPHSLOACCKLWLR-FQEVSTJZSA-N 339.391 3.619 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c[nH]cc32)N1 587794094 SUGMTWLBHJZUKX-XXFAHNHDSA-N 335.220 3.640 0 1 EHAF Cc1ccc2c(ccc3nc(/C=C/S(=O)(=O)c4ccccc4)[nH]c32)n1 586924303 OWFZHEAGPKGPHK-VAWYXSNFSA-N 349.415 3.864 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc4cccc(OC)c4[nH]1)[C@@H](C2)C3=O 587439876 XRXAESQNMWTDGY-RNODOKPDSA-N 335.359 3.674 0 1 EHAF C[C@H]1CCc2sc(-c3nc4nc(Br)c[nH]c-4n3)cc2C1 587034703 YHHBDZINSHZKBV-ZETCQYMHSA-N 349.257 3.920 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](C1(CN(C)C)CCCC1)CC2=O 587467764 GRDCMLKICYYYQM-SFHVURJKSA-N 331.456 3.801 0 1 EHAF CN[C@H](c1cccnc1)c1nc2cc(Br)c(C)c(C)c2[nH]1 587224354 RUJANKYHCDARRL-OAHLLOKOSA-N 345.244 3.646 0 1 EHAF COC(=O)c1cc2[nH]c(-c3cc(N)cc4ccccc34)nc2cc1OC 587252275 VFKULROBWRPBBN-UHFFFAOYSA-N 347.374 3.761 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](CO)C2)N1 587820275 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DNSXJXGGBCLFCW-QXKQMHMISA-N 342.266 3.944 0 1 EHAF COc1cccc2[nH]c3c(c12)C[C@H]1c2cc4c(cc2CCN1C3)OCO4 209381175 BUYJSSDFOQMYKS-KRWDZBQOSA-N 348.402 3.561 0 1 EHAF CCN(CC(C)C)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1 1857647049 VOSYKQISLUAHRQ-UHFFFAOYSA-N 340.467 3.847 0 1 EHAF Nc1n[nH]c2cccc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12 36176946 XUAVZPFKUWDJJL-UHFFFAOYSA-N 335.411 3.876 0 1 EHAF Cc1cccc(NC(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)n1 429567 PTSXMLYQWFJIGV-UHFFFAOYSA-N 335.388 3.699 0 1 EHAF CN(C)C(=O)c1ccc(-c2cncnc2NCc2cccs2)cc1 4268308 HRZFDUKLBGMGJD-UHFFFAOYSA-N 338.436 3.519 0 1 EHAF C[C@@H]1CC(=O)NN=C1c1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1 27201711 MVLVRFZXYXFSCK-MRVPVSSYSA-N 344.827 3.805 0 1 EHAF COc1cccc2c(=O)oc(-c3ccc(Br)cc3)nc12 28382196 YCJBRCXHCRNGMZ-UHFFFAOYSA-N 332.153 3.626 0 1 EHAF CC1(C)c2ccccc2N2CC(=O)N[C@@]21C=Cc1ccccc1Cl 2356544960 KOQXQTUEKMHWEK-FQEVSTJZSA-N 338.838 3.977 0 1 EHAF CC1=C[C@H]2C[C@H]3[C@]4(C[C@H](c5ccoc5)OC4=O)[C@@H](C)CC[C@]13C(=O)O2 2356677453 DBKVXSDHPBHJOE-CBZLVPCGSA-N 342.391 3.562 0 1 EHAF Cc1nc2ccncc2n1-c1nccc(N[C@@H](C)c2ccccc2)n1 40576170 ULUXLMLAWYUOPB-ZDUSSCGKSA-N 330.395 3.692 0 1 EHAF CC1(C)Oc2cc(C(=O)c3ccoc3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 84655258 PVZPLGQDXPRLRL-RBSFLKMASA-N 342.391 3.632 0 1 EHAF CCn1ccc2cc([C@H](O)c3cc(OC)c(OC)c(OC)c3)ccc21 45497565 KNZMHOYGFRZDBM-IBGZPJMESA-N 341.407 3.769 0 1 EHAF CCOC(=O)c1c(-c2ccccc2C)[nH]c2cccc(OC)c2c1=O 49072601 SCHZXSQKRAVGNV-UHFFFAOYSA-N 337.375 3.689 0 1 EHAF Clc1ccc(N2C[C@H]3C[C@@H]2CN3Cc2c[nH]c3ncccc23)cc1 96305016 YOODWDNGWLMMGG-IAGOWNOFSA-N 338.842 3.679 0 1 EHAF Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(-n3ccnc3)cc2)n1 98083438 VUAGHHMAXKPFGS-UHFFFAOYSA-N 331.354 3.718 0 1 EHAF C[C@@H](CO)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)OC(C)(C)C 95557294 RXVXPAQIOBOCFF-YVEFUNNKSA-N 330.428 3.631 0 1 EHAF CC(=O)[C@H]1C[C@@H](O)[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255261422 QQVGVJQPAJHUGT-YGJPYRPGSA-N 334.500 3.566 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCOCc1ccccc1)O2 587401253 VCPAVJBHSCJULJ-INIZCTEOSA-N 325.408 3.908 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(F)c(F)c(F)c1F)[C@@H](C2)C3=O 587424521 OXOLTYWVWPRFEW-XYZCENFISA-N 338.256 3.740 0 1 EHAF COc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cn1 587060838 NUVAFOVVXACHES-UHFFFAOYSA-N 326.743 3.942 0 1 EHAF N[C@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@H]1c1ccccc1F 587156725 PHXVTKMFETZXJR-VXJOIVPMSA-N 337.185 3.745 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCn3cccc32)N1 587773918 SGBLBUIJBMRQEK-GTNSWQLSSA-N 349.247 3.961 0 1 EHAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587929887 ATHXOKCHVABRSF-SZNDQCEHSA-N 347.418 3.901 0 1 EHAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1OC 587518969 RQQHFWSOGGXYNI-QGZVFWFLSA-N 339.391 3.684 0 1 EHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(CO)cc2[nH]1 587928236 ZBTRIGDFAUVUIN-AWEZNQCLSA-N 326.396 3.614 0 1 EHAF Oc1ccc(C2(c3nc4cc(F)c(F)c(F)c4[nH]3)CCOCC2)cc1 586913134 NBHZIOMVPGQFFV-UHFFFAOYSA-N 348.324 3.782 0 1 EHAF COc1cccc(CCc2nc3ccc(Br)c(O)c3[nH]2)c1 587930515 HDMPYIXHUGHZHO-UHFFFAOYSA-N 347.212 3.825 0 1 EHAF COC(=O)[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587524713 MKEHKCJMOFCOHH-VLIAUNLRSA-N 328.408 3.633 0 1 EHAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2n1 587024154 XDLMRWSQUBPKBM-UHFFFAOYSA-N 336.376 3.535 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cn3ccnc3)cc1)O2 587392531 ZIEOLRGNUAGGAI-LJQANCHMSA-N 333.391 3.529 0 1 EHAF c1sc2c(c1-c1nc3cc4c(cc3[nH]1)OCCCO4)CCOC2 587031684 KVJAKIKOYYMUHI-UHFFFAOYSA-N 328.393 3.525 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCOc4cc(C)c(C)cc41)[C@@H](C2)C3=O 587453251 NFVWMBAIKDMAJQ-KKSFZXQISA-N 336.387 3.737 0 1 EHAF Oc1c([C@@H](Nc2ncccn2)c2ccccc2)ccc2cccnc12 5395132 HTUANJZXBHLBOJ-KRWDZBQOSA-N 328.375 3.932 0 1 EHAF Nc1nc(N)c2c(CNc3ccc4c(c3)Cc3ccccc3-4)coc2n1 5939447 ODAGVXOQWQWXRK-UHFFFAOYSA-N 343.390 3.571 0 1 EHAF C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(C2CCCCC2)o1 13116518 NMXYKASOGGHWSV-BETUJISGSA-N 337.489 3.999 0 3 EHAF c1ccc(CCN2CCC(c3cc(-c4cccnc4)[nH]n3)CC2)cc1 13763840 XTZZQQZBOKCCIX-UHFFFAOYSA-N 332.451 3.894 0 1 EHAF COC(=O)C1=C[C@@]2(c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 169339389 VQRFUQBWZBYASP-OGZUCYPRSA-N 328.383 3.706 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C/C(N)=O 206203231 CRCRHJZVUKINHV-UKDKKPPQSA-N 329.484 3.722 0 1 EHAF CN1C(=O)[C@@H](c2ccc(C#Cc3cccc(Cl)c3)cn2)CC1(C)C 204407232 SFEBOGPWHLPAMA-QGZVFWFLSA-N 338.838 3.859 0 1 EHAF OCc1ccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1 146263580 MXFOHEDQRSNTRZ-UHFFFAOYSA-N 348.381 3.640 0 1 EHAF CC(C)=CCCC1=C[C@H](CC(C)=CCCC(=CCO)CO)OC1=O 2356470176 QNEQTAOUNJRRBL-IBGZPJMESA-N 334.456 3.612 0 1 EHAF CC(C)(C)CN1CC[C@@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356312521 DLMORKCFINWIRD-LSDHHAIUSA-N 343.471 3.564 0 1 EHAF CN(c1ccnc(Nc2ccc(C(=O)O)cc2)n1)C1CCCCC1 1911582729 SNXSBHRORYNWID-UHFFFAOYSA-N 326.400 3.687 0 1 EHAF Cc1ccc2c(C(=O)N3CCC(c4cccc(CN)c4)CC3)c[nH]c2c1 28460747 NPTUYUKNLOHLPT-UHFFFAOYSA-N 347.462 3.955 0 1 EHAF O=C(O)c1ccc2ccc(/C=C/c3ccc4c(c3)OCO4)nc2c1O 27524866 SGVOYHAQLAYYLY-ORCRQEGFSA-N 335.315 3.538 0 1 EHAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(F)cc1 2356707376 UBVUVNFFNOHXDY-SCTDSRPQSA-N 333.447 3.679 0 1 EHAF CN(C)C=C(NC(=O)Nc1ccc(F)c(Cl)c1)C(F)(F)F 2356822962 GHKCQRARXQZBDZ-UHFFFAOYSA-N 325.693 3.566 0 1 EHAF O=C1Nc2ccc(Br)cc2[C@]12C[C@H]2COc1ccccc1 34817237 PDEPHVGNADLLMU-APPDUMDISA-N 344.208 3.738 0 1 EHAF CC(C)(C)OC(=O)N[C@H](/C=C/c1ccccc1)C(=O)OC(C)(C)C 36387565 YDZYITQVLYVRAJ-RDRICISKSA-N 333.428 3.935 0 3 EHAF O=C(c1c[nH]c2ccc(O)cc12)c1nccc2c1[nH]c1ccc(O)cc12 13393233 OATSYJQLKPRTBO-UHFFFAOYSA-N 343.342 3.840 0 1 EHAF biogenic,in-vivo CO[C@H](C)c1cncc2c1C[C@H]1c3[nH]c4ccccc4c3CCN1C2=O 238768550 GZMHVARUJUPCNI-BLVKFPJESA-N 347.418 3.566 0 1 EHAF O=C(COc1cccc2c1NC(=O)CC2)Nc1ccc2ccccc2c1 95596953 VVLJVXJSGADDMI-UHFFFAOYSA-N 346.386 3.742 0 1 EHAF CC/C=C/C/C=C/C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O 256085854 BISQPGCQOHLHQK-LDHRVXFCSA-N 334.456 3.934 0 1 EHAF in-vitro Cc1cc(C)cc(Nc2nccc(-n3cc(C)c(CN(C)C)c3)n2)c1 473123204 UDGFLVFNRPXBCU-UHFFFAOYSA-N 335.455 3.998 0 1 EHAF O=C1Nc2ccccc2/C1=C\c1cc[n+](Cc2ccc(F)cc2)cc1 299835546 XGAZSFAJTGCPEZ-UHFFFAOYSA-O 331.370 3.654 0 1 EHAF CCCn1nc(C)c(Cl)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587378860 RAXWULBTZNXPIF-AWEZNQCLSA-N 333.819 3.852 0 1 EHAF CC(=O)SCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586994517 VXGYFMXZDPJDQD-UHFFFAOYSA-N 349.411 3.974 0 1 EHAF COc1ccc(C[C@@H](C)[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440637 CCJQASOYKPWOND-LAECCNGNSA-N 338.403 3.699 0 1 EHAF COc1cc(OC)c2[nH]c(-c3ccc(OC)c(C)c3OC)nc2c1 587788270 UUHXQFXIVUEERY-UHFFFAOYSA-N 328.368 3.573 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCO)N1 587824367 BGPQZSBBJLZZSU-BMIGLBTASA-N 330.241 3.500 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCC=CO2)N1 587836313 ZYTXTRMIVBVDCU-BCQZVRRWSA-N 326.209 3.856 0 1 EHAF CCOC(=O)[C@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989168 ADNNQMNYCLXIIF-LLVKDONJSA-N 347.370 3.818 0 1 EHAF CC[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813059 MRZAEHMLDAYPJD-ULMHFPJVSA-N 342.252 3.953 0 1 EHAF CC[C@@H]1CCC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587817865 BIVLOWJKJKBKOM-RDGWCUKFSA-N 340.236 3.707 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COC2(C)C)N1 587835687 XRCFLCKXLWKLRS-RFAUZJTJSA-N 326.209 3.640 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cnn(C)c3c1)CC2=O 587482147 ZOUJLQOETZUNJN-LJQANCHMSA-N 336.391 3.938 0 1 EHAF O=S(=O)(c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)C(F)F 587210672 VLBKAFKTMLJLNH-UHFFFAOYSA-N 345.370 3.997 0 1 EHAF Cc1c(Br)cc2nc(C[S@@](=O)CC3CC3)[nH]c2c1C 586958910 KBPAIYKVNZOVRZ-IBGZPJMESA-N 341.274 3.601 0 1 EHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H]([C@H]2C[C@@H]2c2ccc(Cl)cc2)N1 962907010 SBHDLWBGQNBVFH-OAOQPFQOSA-N 345.801 3.923 0 1 EHAF COc1ccc2c(c1OC)[C@](CN=O)(c1ccccc1)N(C)[C@@H](C)C2 962642152 YOWOYNLQAPCKKL-XOBRGWDASA-N 340.423 3.590 0 1 EHAF COc1cc2c(cc1OC)[C@@](C)(c1cncc(Cl)c1)N(C)[C@H](C)C2 962572930 RAINXPBPZSBJLS-CWTRNNRKSA-N 346.858 3.892 0 1 EHAF Cc1ccnc2c1CCN[C@@]21CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 963071055 IYHZIDXSZUALRC-QNWVGRARSA-N 347.506 3.806 0 1 EHAF COc1cccc(-c2n[nH]c3c2CN(CCc2ccccc2)CC3)c1 12306677 BHYILAGCOGEINJ-UHFFFAOYSA-N 333.435 3.686 0 1 EHAF CCCCCCC(=O)N[C@@H]1CCCCN(Cc2ccccc2C)C1=O 200049514 GTUNPWXUMMNXTI-LJQANCHMSA-N 344.499 3.963 0 3 EHAF O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCOc2ncccc21 205619132 HBKPYZFWFANAAR-LBPRGKRZSA-N 337.206 3.571 0 1 EHAF NC(=O)c1ccc(-c2cc(-c3cc(F)c(F)c(F)c3)cnc2N)cc1 1857618239 YTXHSADDWQHKBT-UHFFFAOYSA-N 343.308 3.514 0 1 EHAF CC(C)(NC(=O)[C@H](Br)C(C)(C)C)c1ccc(O)cc1 4655187 RWGOIUJFOUERJO-LBPRGKRZSA-N 328.250 3.553 0 1 EHAF biogenic CC(C)=CCC(=O)[C@H](C)CCC[C@@]1(C)OC/C(=C/CO)CC[C@@H]1O 27425714 XRDHAXIOHKTIGF-JUUNOLGESA-N 338.488 3.567 0 1 EHAF COc1ccc([C@H](O)c2nc(-c3ccccc3Cl)c[nH]2)cc1F 61898080 PBLJKVQKQCPTJN-INIZCTEOSA-N 332.762 3.960 0 3 EHAF COC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)OC[C@@]4(C)[C@@H]3CC[C@]12C 29409733 SZAGBXYCBORFKQ-HKOMUCLVSA-N 334.456 3.581 0 1 EHAF CC(C)C1=C[C@@H]2C(=O)C[C@@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@]2(O)CC1 2356654277 ZPVSHWFBDPCXIO-QSQZVVNTSA-N 334.456 3.580 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](O)C(=O)[C@@]4(C)CC[C@@H]32)C1 2356686393 DEFGFJXDFQPYFM-RCDSDNGVSA-N 348.483 3.501 0 1 EHAF CCc1nc(N)nc(N)c1-c1ccc(N[C@H](C)c2ccccc2)c(N)c1 26504053 YXWLSKAOHGRNML-GFCCVEGCSA-N 348.454 3.626 0 1 EHAF COc1cccc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)c1 72184240 CJPRIWFRTWQRLL-UHFFFAOYSA-N 349.434 3.672 0 1 EHAF CCN(CC)CCCNCCCOc1ccnc2cc(Cl)ccc12 45353091 BIHUYZLGGJGPIK-UHFFFAOYSA-N 349.906 3.979 0 1 EHAF CC(=O)C[C@@H]1OC(=O)C=C1/C=C\c1cc(O)c(/C=C\C(C)C)c(O)c1 238773650 RSLQUXPTQHZYMB-SYTJRJAYSA-N 342.391 3.611 0 1 EHAF Cc1cccc(NCc2ccc(C(=O)Nc3nc(C)cs3)o2)n1 95755549 ZKUHDWKPGBMATP-UHFFFAOYSA-N 328.397 3.612 0 1 EHAF CCOc1nn(-c2ncc(CC)cn2)c(C)c1Oc1ccccc1F 299855944 BGRPAQQLCUQAGU-UHFFFAOYSA-N 342.374 3.863 0 1 EHAF C[C@@H](O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21CO 299850356 ROFPAWOFLPYVLV-XKNGAHBPSA-N 334.500 3.568 0 1 EHAF CC[C@H](C)[C@@H]1N=C(C)c2ccc(C(=O)OC(C)(C)C)cc2NC1=O 473154066 DUKODBLXZXSPOM-ZBEGNZNMSA-N 330.428 3.818 0 1 EHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)n1 587079860 LGPJYCCLTNUVCD-XLKFXECMSA-N 332.795 3.775 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCSC2)N1 587859135 VXAPAJNQJHUWTL-LKFCYVNXSA-N 330.266 3.845 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1C(=O)O)CC2=O 587478420 AWLXILTUIBHWFK-FQEVSTJZSA-N 340.375 3.924 0 1 EHAF COc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Cl 586908504 RKMKDNVDNSGWBP-SECBINFHSA-N 330.771 3.806 0 1 EHAF COc1cccc(C2(c3nc4nc(Cl)c[nH]c-4n3)CCCC2)c1 587929966 BJBWWBLDNAJBNJ-UHFFFAOYSA-N 328.803 3.827 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)s1)[C@@H](C2)C3=O 587448793 CLPNKSRMEBLAHJ-DJJJIMSYSA-N 341.432 3.846 0 1 EHAF Fc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587007099 MBIIGDUCIJRRIS-UHFFFAOYSA-N 331.148 3.779 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCCc3scnc31)CC2=O 587496003 QYYTZXFWLUREQN-GOSISDBHSA-N 329.421 3.998 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1c(F)cccc1OC)[C@@H](C2)C3=O 587424901 XMCRTDOWLQGAPY-BUXKBTBVSA-N 328.339 3.506 0 1 EHAF COc1ccc2c(c1)[C@H](c1c(C)nc3sccn13)N[C@@H]1CC[C@@H]21 962995189 MHIBJHNLAXDCEU-NUEKZKHPSA-N 325.437 3.651 0 1 EHAF CC(C)=C[C@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186816 RHUDZPGJWSSZFF-CHWSQXEVSA-N 333.737 3.965 0 1 EHAF C[C@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccc(F)cc2)=NO1 12726752 NNJXSIVGVUKGSI-LJQANCHMSA-N 337.354 3.839 0 3 EHAF C[C@@H]([C@@H](C)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 13860893 FMFWSCUDHOPQTG-QWHCGFSZSA-N 343.298 3.867 0 1 EHAF Cc1cnc(NC(=O)CCCOc2cc(C(F)(F)F)ccn2)s1 1857551685 RDRZVSGBLWRGSC-UHFFFAOYSA-N 345.346 3.663 0 1 EHAF CCC[C@@H](CO)NCc1nc2cccc(OCC3CCCCC3)c2[nH]1 1857608839 REEKEDUHHCRRJY-INIZCTEOSA-N 345.487 3.773 0 1 EHAF Cc1ccc(-c2nnn(CCCN3CCC[C@H]3c3ccccc3)n2)cc1 1857614916 SKYHCYCYFABYDT-FQEVSTJZSA-N 347.466 3.876 0 1 EHAF CC(C)NC(=O)N[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 13608277 LDEUSBDRKIFANX-GFCCVEGCSA-N 341.249 3.759 0 1 EHAF Cc1cncc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)c1 26573153 XPZCBEDYVOZMSZ-UHFFFAOYSA-N 338.338 3.544 0 1 EHAF COc1cc(Nc2cc(O)ccc2C)nc(-n2cnc3ccccc32)n1 36187675 ISFNKUSTYAJVQU-UHFFFAOYSA-N 347.378 3.582 0 1 EHAF C[C@H](Nc1ccnc(-n2cnc3ccncc32)n1)c1ccc(F)cc1 36348857 PPOFTHNFMSSOFB-LBPRGKRZSA-N 334.358 3.523 0 1 EHAF CCS(=O)(=O)c1ccc2oc(-c3ccc4ccccc4n3)nc2c1 71296281 RYTDWCGLUDPQGA-UHFFFAOYSA-N 338.388 3.837 0 1 EHAF COc1cc(-c2cnc3ccc(-c4ccccc4OC)nn23)ccc1O 74386152 MYXYBGKKGFOKRM-UHFFFAOYSA-N 347.374 3.786 0 1 EHAF CCCCCNc1ncnc2c1nc(CCC)n2C[C@@H]1CCCO1 82186841 OXDDJQTWHUHECQ-AWEZNQCLSA-N 331.464 3.560 0 1 EHAF CCCC[C@]12C[C@]1(C(=O)NC(C)C)C(=O)Nc1ccc(Cl)cc12 101169703 SDMBZJATDBGDMX-MSOLQXFVSA-N 334.847 3.635 0 1 EHAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3[nH]nc(C)c32)cc1OC 101646947 JKZDQGHSFFQSFQ-KRWDZBQOSA-N 339.395 3.949 0 1 EHAF CCCCNC(=O)c1cn(C)nc1Oc1cccc(C(F)(F)F)c1 103293469 LIPQKENZSLOVRJ-UHFFFAOYSA-N 341.333 3.761 0 1 EHAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H]2C[C@@H](O)[C@H]1C/C=C/CCCC(=O)O2 169290086 KBFCVOAVUKWCPS-VMCSBDKGSA-N 336.472 3.523 0 1 EHAF Cn1c(=N)n(CCOc2ccc(Cl)cc2)c2c(Cl)cccc21 169310425 YZIRBCYAHVLHMU-UHFFFAOYSA-N 336.222 3.845 0 1 EHAF CC(C)[C@H](CO)NCc1nc(-c2ccc(F)c(Cl)c2)ccc1F 204418690 OJGCLTFQCOTNGA-KRWDZBQOSA-N 340.801 3.787 0 1 EHAF O=C(NCC1CCC1)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 219757989 PPBMCOUZQAEJFO-UHFFFAOYSA-N 339.374 3.686 0 1 EHAF O=C1c2ccccc2-c2cc(C[C@@H]3CCCO3)nc3ccc(O)c1c23 586989945 BAPXGEOYRPZCET-ZDUSSCGKSA-N 331.371 3.873 0 1 EHAF Clc1ccccc1-c1nc(-c2nc3c(Cl)ncnc3[nH]2)co1 587063582 WWGWOLSRQDVVNM-UHFFFAOYSA-N 332.150 3.982 0 1 EHAF Clc1ccc(-n2cc(-c3nc4cc(Cl)cnc4[nH]3)nn2)cc1 587076358 QYDBSVXWNQNQCP-UHFFFAOYSA-N 331.166 3.512 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C3CC3)nn1C(C)C)O2 587392012 QDHDROSJBZYJLB-SFHVURJKSA-N 325.412 3.939 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ncc(Cl)cc1C)[C@@H](C2)C3=O 587423009 SECPKJGHXHZENT-SCLBCKFNSA-N 329.783 3.715 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)[nH]c(C(C)=O)c1C)[C@@H](C2)C3=O 587439981 XWPFJZMEEQPEMX-VBKZILBWSA-N 339.391 3.506 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](CCn1nc(C)cc1C)CC2=O 587474728 HGFCCLFUEFPDIG-AWEZNQCLSA-N 328.412 3.582 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(O)c(C=O)c1)CC2=O 587490865 SJIPVVQTDYONRG-GOSISDBHSA-N 340.375 3.878 0 1 EHAF C[C@@H]1C[C@]2(CC[C@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 587530902 WLIJOZSMVISGHD-WVSMJXTDSA-N 328.408 3.790 0 1 EHAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 587590102 XSDPRNZFNOPBNG-NQIIRXRSSA-N 347.370 3.973 0 1 EHAF O=C(c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602021 HYTSJTNEUMRVPR-UWJYYQICSA-N 346.338 3.605 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cn2)N1 587729926 IHZPILKFYGZDHO-GLEZIHRCSA-N 339.183 3.746 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2F)N1 587737188 CZVHEHAJLRBFSF-RMLUDKJBSA-N 339.183 3.746 0 1 EHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1 587783781 ADEIYLSQNYVUKE-VXGBXAGGSA-N 327.771 3.555 0 1 EHAF CC(=O)[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814792 VSNFRUVLEMPEPX-CEFVDNRUSA-N 328.225 3.563 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@]2(C)CCCO2)N1 587835095 UXDGKFSIEMUCNS-GTTSAUCSSA-N 342.252 3.907 0 1 EHAF COc1ccc(CCCc2nc3c(F)cnc(Cl)c3[nH]2)c(OC)c1 587928267 ADKGGDLAQQJFHL-UHFFFAOYSA-N 349.793 3.943 0 1 EHAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(S)nc(S)nc2[nH]1 587952951 YDVZOKNIHVVLNY-BBBLOLIVSA-N 338.502 3.977 0 1 EHAF Cc1c(F)ccc2c1[C@@H](c1[nH]c3nccc-3c(Cl)c1F)NCC2 962298466 MEWIWZDNOFBTMF-HNNXBMFYSA-N 333.769 3.990 0 1 EHAF C=CC(=O)NC(C)(C)C[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963102154 KHZLFSMXBAUQMI-OXJNMPFZSA-N 330.447 3.532 0 1 EHAF CCO[C@H](C)n1nccc1[C@H]1NCCc2c(Cl)cc(Cl)cc21 963117439 DZGNCUJEKNGLPU-HWPZZCPQSA-N 340.254 3.980 0 1 EHAF CCC[S@@](=O)c1sc2nc(-c3nccs3)cc(C)c2c1N 1772602417 DSYMJUVGXQAWHS-OAQYLSRUSA-N 337.495 3.828 0 1 EHAF Cc1ncc(CN=c2[nH]c3ccccc3n2Cc2ccccc2)s1 1857588636 HSINNMKZNSYSQT-UHFFFAOYSA-N 334.448 3.884 0 1 EHAF CCC(CC)CN=c1c(C(N)=O)c[nH]c2ccc(-c3ccncc3)cc12 1857594362 HBYVDORXKRHBBS-UHFFFAOYSA-N 348.450 3.666 0 1 EHAF O=C(Nc1cccc(Br)c1)c1coc2ccccc2c1=O 1857763125 RUJCXBGZGHGBRS-UHFFFAOYSA-N 344.164 3.808 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]12 2356643781 FKNIRWOLOYSZSG-HZPYRXDASA-N 332.440 3.953 0 1 EHAF COc1cc(C[C@@H]2C[C@H]3CO[C@H]2c2cc(O)c(OC)cc23)ccc1O 2356778075 LOHDMDZVDAWZCR-MTJIALIYSA-N 342.391 3.533 0 1 EHAF CCOC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 61903064 FVVGWAJHMJSBRO-INIZCTEOSA-N 343.345 3.511 0 3 EHAF Cn1cc(-c2ccc3c(c2)COCC(=O)N3CC2CCCCC2)cn1 74375374 AIENKCWZGCOUKY-UHFFFAOYSA-N 339.439 3.531 0 3 EHAF CNC(=O)[C@@H](OC)c1cccc(COc2ccc(Cl)cc2C)c1 103177228 VPMKTYSAKJDJJF-KRWDZBQOSA-N 333.815 3.661 0 1 EHAF FC(F)(F)COC[C@@]1(c2ccc(Cl)c(Cl)c2)[C@H]2CNC[C@H]21 101317694 RXLIIMKHNRHPBV-IWIIMEHWSA-N 340.172 3.659 0 1 EHAF O=C1c2ccccc2[C@@H](Nc2ccc(Cl)cn2)N1c1ccccn1 20213647 UKEQQUYLXANNTR-KRWDZBQOSA-N 336.782 3.901 0 3 EHAF aggregator CC(=O)Oc1cc(C)cc(C)c1/C=C\C(=O)N(C)Cc1ccccc1 29475158 AJSABQSOZHITFG-KHPPLWFESA-N 337.419 3.901 0 1 EHAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C(=O)O 2356673572 PNWSAUSJYHVEQY-LSTHTHJFSA-N 330.424 3.970 0 1 EHAF COc1cc(C[C@@H]2CCCCC2=O)cc(Br)c1OC 73197495 LOVSSYPMOZUFIM-NSHDSACASA-N 327.218 3.768 0 1 EHAF CO[C@@H](Cc1ccccc1)[C@@H](C)C[C@H](C)CC[C@H](N)[C@H](C)C(=O)O 33821183 SWTFXINHZPXNOX-DZBHQSCQSA-N 335.488 3.735 0 1 EHAF in-vivo C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1Br 64453741 MGAGJKNDSAFONJ-KOLCDFICSA-N 325.202 3.549 0 1 EHAF c1ccc(CNCc2ccc(CN[C@@H]3CCc4cccnc43)cc2)nc1 49112945 GSCRMXPAVFDDAJ-OAQYLSRUSA-N 344.462 3.544 0 1 EHAF FC(F)(F)c1cccc(-c2nnc3ccc(NCC4CC4)nn23)c1 40835105 QBOSRPRLPGKQCX-UHFFFAOYSA-N 333.317 3.632 0 1 EHAF COc1nc2sccn2c1/C=C1/C(=O)Nc2cccc(Cl)c21 84708367 CPVQFSXOEWIAPD-BQYQJAHWSA-N 331.784 3.551 0 1 EHAF Fc1ccc(Nc2nc(NC3CCCCC3)nc3[nH]ncc23)cc1 96928143 JROSEQJBDJESRI-UHFFFAOYSA-N 326.379 3.980 0 1 EHAF C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255264212 SCPADBBISMMJAW-CXAIKJKASA-N 336.516 3.502 0 1 EHAF Cc1ccc2nc(NCc3ccccc3)nc(NCCN(C)C)c2c1 299867267 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JRJNNIQIIMBQNV-UKRRQHHQSA-N 332.758 3.846 0 1 EHAF CS(=O)(=O)c1cccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 586927596 VSLINXMFWCUFDQ-UHFFFAOYSA-N 326.421 3.512 0 1 EHAF O=C1c2ccccc2-c2cc([C@H]3CCCCN3)nc3ccc(O)c1c23 586989814 RAENFQOWSAOKQD-OAHLLOKOSA-N 330.387 3.966 0 1 EHAF FC1(F)Oc2cc3nc(-c4ccc(Br)o4)[nH]c3cc2O1 587006901 DEYNDPJHCXMVGF-UHFFFAOYSA-N 343.083 3.907 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCn3cccc32)N1 587773917 SGBLBUIJBMRQEK-DIFFPNOSSA-N 349.247 3.961 0 1 EHAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1ccc2snnc2c1 963095664 DHHCWICKSZZXNU-KBXCAEBGSA-N 325.412 3.940 0 1 EHAF C[C@@H]1C[C@]2(CN1C1CC1)c1cccc(F)c1CCN2[C@H]1CCSC1 962713515 SCNGCNLEXAXZJT-IIMJZQEZSA-N 346.515 3.641 0 1 EHAF Cc1cc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c2ccccc2n1 963031852 OSZDPIUEDPVOAK-PEBXRYMYSA-N 343.430 3.686 0 1 EHAF Cc1c(S(=O)(=O)NCc2cccc(Cl)c2)[nH]c2ccccc12 203661521 MUAGOPDRSMYUJE-UHFFFAOYSA-N 334.828 3.608 0 1 EHAF Cc1noc(C)c1[C@@H](c1ccc(C(C)C)cc1)N1CCN(C)CC1 19364628 CRMNFKWFQPZNEH-HXUWFJFHSA-N 327.472 3.752 0 1 EHAF Cc1cc(C)cc(-c2nc(O)c3c4c(sc3n2)CN(C)CC4)c1 1857553825 UOBBCJJVOWPLDT-UHFFFAOYSA-N 325.437 3.669 0 1 EHAF COc1cc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1 13471762 PYSIIZCKWCWZPP-VOTSOKGWSA-N 330.380 3.900 0 1 EHAF CN(C)c1ccc(-c2cc3ncccc3c(NCCCCCN)n2)cc1 13489179 YILVJKOGTCCHOC-UHFFFAOYSA-N 349.482 3.904 0 1 EHAF C[C@@H]1CO[C@@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CN1 117722715 ODDKKIURLFRFMA-SJKOYZFVSA-N 330.815 3.642 0 1 EHAF CNCc1cc(C(N)=O)ccc1Oc1ccc(Cl)cc1Cl 29129579 HEBFKAQNVHADTH-UHFFFAOYSA-N 325.195 3.604 0 1 EHAF Cc1ccc(O)c(C(=O)NCCCCN2CCC[C@@H]3CCCC[C@@H]32)c1 29393657 HTSKEHDGBLQKAM-HKUYNNGSSA-N 344.499 3.865 0 1 EHAF COc1cc2c(ccn2-c2ccc(N(C)C)cc2)c(OC)c1OC 72113141 RJSVMADFJNMPNG-UHFFFAOYSA-N 326.396 3.722 0 1 EHAF CC(C)=CCc1cc(C(=O)CC(=O)c2ccc(O)cc2)c(O)cc1O 102943533 VAWLLIOUAFRMHN-UHFFFAOYSA-N 340.375 3.768 0 1 EHAF biogenic,in-vitro Cc1cc(=O)c2c(o1)O[C@@]1(C)[C@@H](CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]31C)C2 103239290 RCJJNXSFMKDPPQ-BKRLDNPDSA-N 346.467 3.855 0 1 EHAF COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc(Cl)c1O 114425065 KFWFFDXFUSPCRV-MRXNPFEDSA-N 331.799 3.862 0 1 EHAF Cc1ccnc(NC(=O)Nc2cccc3c2[C@H]2CCCCN2C3=O)c1 118087897 HKOGEZCYHMAXBA-OAHLLOKOSA-N 336.395 3.715 0 1 EHAF CC(C)(C)OC(=O)/C=C1/C(=O)N(Cc2ccccc2)c2ccccc21 200685495 AJOFDBMGGTXSSJ-GHRIWEEISA-N 335.403 3.959 0 1 EHAF CN(C)[C@@]12CC(=O)N[C@@H]([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 253686395 VBLXFIUIBZBCFM-MWJRXLOASA-N 334.463 3.537 0 1 EHAF COc1ccc2nc(-c3nc4cc([C@@H](N)N=O)ccc4[nH]3)sc2c1 587034933 KCYKNMIPCBFSJX-AWEZNQCLSA-N 339.380 3.572 0 1 EHAF O=C(O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587080053 KSSKQWCRNBFIKA-UHFFFAOYSA-N 325.755 3.918 0 1 EHAF Cc1cnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 587080878 UVTOWTFUNMPPCA-ZDUSSCGKSA-N 325.803 3.644 0 1 EHAF COc1cc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1C 587175544 UJBRLCKVXDJKAE-CQSZACIVSA-N 338.386 3.743 0 1 EHAF Cc1ccnc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc12 587235054 DTTYZFISHJXRNP-CHWSQXEVSA-N 330.432 3.817 0 1 EHAF COc1cc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587376529 SDPGHGZWWJLCKG-OAHLLOKOSA-N 333.771 3.651 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1C[C@H]2C=C[C@H]1C2 587604947 VYZINUFXSGILQS-ULQFAQFHSA-N 334.371 3.935 0 1 EHAF Cn1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)n1 587629756 GLVLXYMNZGOPDK-UHFFFAOYSA-N 345.683 3.944 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COC2(C)C)N1 587829755 CGTKMUAZQAYVHW-BJOHPYRUSA-N 326.209 3.640 0 1 EHAF CC[C@]1(c2ccc3c(c2)OCO3)N[C@@H]2CC[C@@H]2c2ccc(OC)cc21 962995194 MLQYMDWKQJYIGS-HGHGUNKESA-N 337.419 3.927 0 1 EHAF CN1C(=O)C[C@H]2CN[C@@](C)(c3cc(F)ccc3Cl)c3cccc1c32 963015886 ATQGZWXGZRNACJ-JEOXALJRSA-N 344.817 3.796 0 1 EHAF C[C@H](Cc1ccccc1)n1cnc(-c2cc(-c3cnn[nH]3)ccn2)c1 1857770457 IHONAIAVRWABIE-CQSZACIVSA-N 330.395 3.534 0 1 EHAF CC(C)(C)OC(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1=O 61920906 PNCNYTBTIYLYGB-UHFFFAOYSA-N 348.786 3.928 0 3 EHAF Cc1ccc(CN2C(=O)COCc3cc(Br)ccc32)cc1 74375796 GZQGWBGQDPGDHN-UHFFFAOYSA-N 346.224 3.821 0 3 EHAF C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 2356429146 LXJUYLCCZZZHNK-ZFOUZFEASA-N 334.500 3.710 0 1 EHAF Cc1c(C(=O)NC[C@@H](C)c2ccccc2)oc2c1-c1[nH]ncc1CC2 6748384 ZJYBPNQDGIPRSY-GFCCVEGCSA-N 335.407 3.610 0 1 EHAF CCCCN(C)C(=O)c1cnn(-c2ccc(C)cc2)c1-n1cccc1 6939751 HNMSUADTCGTVAY-UHFFFAOYSA-N 336.439 3.844 0 1 EHAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2[C@H](O)C(F)(F)F 58614560 FSULAQVXMVICFX-MRLBHPIUSA-N 333.781 3.830 0 1 EHAF O=C1C[C@H](O)C[C@@H](/C=C/c2ccc(Br)c3ccccc23)O1 27878313 ZBMMHOBZFMPSQP-MVTQWGDUSA-N 347.208 3.682 0 1 EHAF Cn1cccc1C(=O)Nc1ccc(F)c(-c2nc3ncccc3o2)c1 103259372 XQFKTUZLXPBEBK-UHFFFAOYSA-N 336.326 3.620 0 1 EHAF COc1cccc2c1Sc1ccccc1C[C@@H]2N1CCN(C)CC1 22460881 SRVOKYAXROISDD-KRWDZBQOSA-N 340.492 3.691 0 1 EHAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@H](C)S2 29342568 XXRGHPOTSMBULK-JTQLQIEISA-N 342.424 3.847 0 1 EHAF O=S1(=O)N=C(Oc2cccc(-c3ccccc3)c2)c2ccccc21 64621983 NEWUQKAMOXDFTJ-UHFFFAOYSA-N 335.384 3.882 0 1 EHAF CN(C)c1ccnc2sc3c(=O)n(-c4ccc(F)cc4)ccc3c12 35284738 SRXXXPYJRYRCQG-UHFFFAOYSA-N 339.395 3.806 0 1 EHAF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1C/C=C(\CO)C(=O)C(=O)O 43511141 JATLKGIQGCADFB-PMRVYMKBSA-N 334.456 3.748 0 1 EHAF CC[C@H](C)CNc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 82160651 NNTLDKGTMZCZPO-LBPRGKRZSA-N 331.416 3.627 0 1 EHAF COc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1 43021590 DVAFTUPEVMCRKD-UHFFFAOYSA-N 335.451 3.935 0 1 EHAF O=C1N(c2cnc3[nH]ccc3c2)CCN1c1ccc2ncsc2c1 149460322 GQTUNDPBGKHWCU-UHFFFAOYSA-N 335.392 3.619 0 1 EHAF C/C=C/c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)C1CCCC1)[C@H](CO)N2 95864522 XPHKRKLLUXSWJW-BJDAWIIQSA-N 340.467 3.586 0 1 EHAF CCc1cc(OC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1Cl 618016113 RLICJXOGWGHQGT-IIAWOOMASA-N 335.831 3.503 0 1 EHAF Cc1cc(Cl)ccc1OCCCc1nc2nc(Cl)c[nH]c-2n1 587066852 SRFBGKJTQZSMFJ-UHFFFAOYSA-N 337.210 3.931 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCSCC2 587620098 XDIDSJQHHAEWEX-HNNXBMFYSA-N 328.389 3.620 0 1 EHAF CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(F)c1F 587381803 LJEWMAGMFSNIOR-HNNXBMFYSA-N 333.334 3.961 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C(F)(F)F)cs1)O2 587383668 UZPIIWWWRPBHGZ-SNVBAGLBSA-N 328.315 3.759 0 1 EHAF C[C@]1(c2ccns2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620357 YKTNVCWAVRJWIQ-CRAIPNDOSA-N 339.372 3.726 0 1 EHAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(Cl)cc3[nH]1)C2 587245983 CBCKXGQVZWDKOF-GOSISDBHSA-N 327.815 3.568 0 1 EHAF COc1ccc(C[C@H](C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587385855 QROURUMGJWJXRW-BUXKBTBVSA-N 343.398 3.938 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(COc3ccc(Cl)cc3C1)O2 587379227 GMKFACGNVLJWLY-GOSISDBHSA-N 329.783 3.570 0 1 EHAF Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)C4)-c1ccccc1C2=O 587101597 OSADKZPSAXELJD-LLVKDONJSA-N 329.355 3.554 0 1 EHAF CCN(CC)CC1([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CCCC1 587388217 YAHVKRZFLOVYLC-SFHVURJKSA-N 330.472 3.813 0 1 EHAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 587961432 FWDDPRVGBXVPEQ-SFYZADRCSA-N 325.181 3.622 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cscn2)N1 587851409 BRYJWBLDXMKDIR-FUXBKTLASA-N 327.222 3.668 0 1 EHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)cn1 587247556 OSKYSWOELKFVFP-UHFFFAOYSA-N 347.781 3.797 0 1 EHAF CC(=O)C(C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107053 MMOKTUKTVXVPPK-UHFFFAOYSA-N 329.355 3.708 0 1 EHAF CC(C)COc1cc2nc([C@H](N)[C@@H](C)F)[nH]c2cc1Br 587126774 YODNUDFQHGOMMP-AMIZOPFISA-N 344.228 3.718 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ncccn1)CC2=O 587470952 NOGAHDRNUGTRLI-SFHVURJKSA-N 349.390 3.632 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncs2)N1 587854635 RHLKEGVAHVUXCV-CLAHSXSESA-N 341.249 3.842 0 1 EHAF CCOC(=O)c1ccc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2c1 587785992 AEHXMWVRCKUSBM-UHFFFAOYSA-N 340.379 3.732 0 1 EHAF COc1ccc(NC(C)(C)c2nc3cc(OC)c(OC)cc3[nH]2)cc1 587201675 VGHCZDDEFPNBAT-UHFFFAOYSA-N 341.411 3.936 0 1 EHAF Cc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1F 587005231 DGONGYOWMZKTNG-UHFFFAOYSA-N 341.571 3.883 0 1 EHAF Cc1nscc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619465 SZMDCJQKOCYFJJ-QAPCUYQASA-N 339.372 3.860 0 1 EHAF CC[C@@H](C)Oc1ccc([C@@H]2NCCc3c(C)ccnc32)cc1OC 963070095 FCYQYQNZXXBJDH-KUHUBIRLSA-N 326.440 3.811 0 1 EHAF C=C=C[C@@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976473 ZXXHMUSMPJHAPT-YVEFUNNKSA-N 341.785 3.800 0 1 EHAF COc1ccccc1CCNC[C@H]1C[C@H]1c1cc(F)ccc1OC 1772634593 KRFJMGWOCHPLGB-NVXWUHKLSA-N 329.415 3.779 0 1 EHAF Cc1ccc(NC(=O)c2scnc2CCc2cnoc2)c(F)c1 14946562 KFBJPQREQLLUNY-UHFFFAOYSA-N 331.372 3.616 0 1 EHAF CC(=O)[C@]12[C@H](c3ccccc3)[C@@H]3CCN(C(=O)N[C@@H]1c1ccccc1)[C@@H]32 169313522 ALNREWIJIWNNFA-MOFJNDHNSA-N 346.430 3.514 0 1 EHAF NC(=O)c1sc2nc3c(c(-c4ccccc4Cl)c2c1N)CCC3 2924984 OZRDZIBNOQBTGN-UHFFFAOYSA-N 343.839 3.787 0 1 EHAF C[C@@H](CNC(=O)c1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 6822589 ZFVHMEMLANAYAU-LBPRGKRZSA-N 341.798 3.924 0 1 EHAF COC(=O)C1=CN(Cc2ccccc2)C=C[C@@H]1c1ccccc1OC 103081175 CMZIBTZSUHYDQF-QGZVFWFLSA-N 335.403 3.865 0 1 EHAF C[C@@H](C(=O)N(C)C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27556580 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COc1cc(C)c2nc3[nH]nc(C)c3c(NC[C@@H]3CCCCO3)c2c1 82157541 RCUCFFJDNMXZAV-ZDUSSCGKSA-N 340.427 3.718 0 1 EHAF C/C=C(/C)C(=O)O[C@@H](C)c1cc2c(cc1OC)OC(=C(C)C)C(=O)O2 238756335 FFIALSMUEXIKJC-RDQDRAATSA-N 346.379 3.857 0 1 EHAF CC[C@H](C)N1C(=O)c2ccccc2[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 245257640 AZFAKNIDWIODHW-KDQHYCTGSA-N 342.483 3.923 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)s1)CC2=O 587492228 BLTCEFRVTGWUCB-AWEZNQCLSA-N 346.404 3.899 0 1 EHAF COc1cc2c3c(c1)O[C@@](c1ncc[nH]1)(C1CCCCC1)[C@@H](C2)C3=O 587439610 WVIQDRJBAUFLOH-YWZLYKJASA-N 338.407 3.642 0 1 EHAF CCOc1n[nH]c(-c2nc3cccc(Br)c3[nH]2)c1Cl 587065459 RAJHVPFQQCSBES-UHFFFAOYSA-N 341.596 3.768 0 1 EHAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 587794579 NGWMHKATPNLOCE-AYVTZFPOSA-N 339.208 3.682 0 1 EHAF Cc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587772894 PMRUGEWPNFODCG-MGPLVRAMSA-N 335.220 3.915 0 1 EHAF CCc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)c(Cl)c1 587369033 RNSWUUCFUKZDQN-UHFFFAOYSA-N 336.178 3.972 0 1 EHAF CC(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175572 UNWDJJJQWNXUIN-OAHLLOKOSA-N 336.370 3.628 0 1 EHAF COC(=O)c1cccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587151476 IBJLNFJTXMRTJI-NEPJUHHUSA-N 328.318 3.899 0 1 EHAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1OC 587377768 YWTDDJNYFMNUEZ-HNNXBMFYSA-N 347.798 3.954 0 1 EHAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncc[nH]c-3n2)cc1 586881646 XEDSBVMGMNCQPL-UHFFFAOYSA-N 330.347 3.645 0 1 EHAF CNc1cc(Cl)ccc1-c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587066667 QHFRXQMBCOMFSH-UHFFFAOYSA-N 345.786 3.720 0 1 EHAF c1ccc(-c2nccnc2C2CN(c3nc4ccccc4[nH]3)C2)cc1 139834074 PIULQLKCJFQBOG-UHFFFAOYSA-N 327.391 3.624 0 1 EHAF CCOC(=O)[C@@]1(c2ccc(CC)cc2)NCCc2ccc(F)c(C)c21 962148657 SQLKXCYTDYVEPL-NRFANRHFSA-N 341.426 3.649 0 1 EHAF CCCN1[C@H](c2cnc3c(c2)OCCN3C)c2ccccc2C[C@H]1C 963228035 KLFMREYWRUTTGM-FOIQADDNSA-N 337.467 3.656 0 1 EHAF Cn1cc2cccc([C@@]3(C)c4c(F)cccc4C[C@H]4CCCN43)c2n1 963101872 MHKQYPFHQWNRTM-IERDGZPVSA-N 335.426 3.996 0 1 EHAF C[C@]1(c2ccc3c(c2)CNCC3)c2c(F)cccc2C[C@@H]2CCCN21 963112525 TVVMYBLTQCOTHS-UGKGYDQZSA-N 336.454 3.755 0 1 EHAF Fc1ccc([C@@H](Oc2ccc3c(c2)OCO3)[C@@H]2CCCNC2)cc1 13530775 SLRMTXCNWZOPSK-AUUYWEPGSA-N 329.371 3.674 0 1 EHAF O=C(Nc1cccc2c1C[C@H](O)C2)N[C@H]1CC[C@H](c2ccccc2)C1 169704857 YZQTXNNYKDDAPW-RYQLBKOJSA-N 336.435 3.604 0 1 EHAF O=C(O)c1cc(C[C@@H]2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 1855500 ASHCVHNGCCGOMG-GOSISDBHSA-N 346.426 3.960 0 1 EHAF CC(C)CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(CO)c3C[C@@]2(C)[C@H]1C 2356428868 AHYLUCJNWGSOAE-WJBZZZKMSA-N 348.439 3.521 0 1 EHAF CCCN(C(=O)COc1onc(C(F)(F)F)c1C)c1ccccc1 103187994 XXELLHQECAAFIG-UHFFFAOYSA-N 342.317 3.824 0 1 EHAF CC=C1CN2CCc3c4n(c5ccccc35)C=C(C(=O)OC)[C@H]1C[C@H]42 2356396440 KWUAPQXLTMRFKM-QFBILLFUSA-N 334.419 3.534 0 1 EHAF COC(=O)C1=CCC[C@H]2[C@]1(C)[C@H](O)C[C@@H](C)[C@@]2(C)CCC1=CCOC1 2356746069 RMDVTBQPOFJSNM-OMFXLVFUSA-N 348.483 3.646 0 1 EHAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnnc3)c2F)cn1 224553494 FCHPSNAPZOMUNW-UHFFFAOYSA-N 337.358 3.715 0 1 EHAF O=C(Nc1cccc(Oc2cncnc2)n1)c1cccc(Cl)c1 96175625 KFFMCQNGTCTUIQ-UHFFFAOYSA-N 326.743 3.570 0 1 EHAF Cc1csc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 95554208 ZAKASYSMYUXBQI-GJZGRUSLSA-N 337.448 3.671 0 1 EHAF O=C1Nc2ccccc2/C1=C\c1cc[n+](Cc2cccc(F)c2)cc1 299826511 HPDQXIDYRIYFJT-UHFFFAOYSA-O 331.370 3.654 0 1 EHAF COC(C)(C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796160 SIDUSHJGXOOLFB-BJOHPYRUSA-N 330.241 3.763 0 1 EHAF CC[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348611 AGDUQKUNAZVQEO-MJGOQNOKSA-N 328.339 3.628 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)NC1CCCCCC1)O2 587391414 TTYQUGWWTSCTGU-FQEVSTJZSA-N 344.455 3.530 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnc3n[nH]c(C)c3c1)CC2=O 587486707 SVYHAAHAEPFUQS-KRWDZBQOSA-N 337.379 3.631 0 1 EHAF COc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1Cl 587087754 GHXXQYYDBJXCSU-MRVPVSSYSA-N 327.762 3.975 0 1 EHAF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1 587085041 XGOLATIYEAXKSA-UHFFFAOYSA-N 335.194 3.634 0 1 EHAF CCCOc1cc2nc(C[C@@H](C)N(C)C)[nH]c2cc1Br 587190540 IFMSUTSMLYQKOB-SNVBAGLBSA-N 340.265 3.607 0 1 EHAF Cc1c(Br)ccc2nc(C[C@H](C)CCC(=O)O)[nH]c12 587960085 FGUIFAFZWONPKF-MRVPVSSYSA-N 325.206 3.677 0 1 EHAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(F)cc4[nH]3)cc2N1 587125286 RIMKKLUKAOMZSD-JMCQJSRRSA-N 339.296 3.873 0 1 EHAF Sc1nc(S)c2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2n1 587073702 LKPXEIDFNAFKAQ-UHFFFAOYSA-N 348.884 3.858 0 1 EHAF COc1ccc2c([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c2c1 587397042 RCLYLLXCMVTZLU-HXUWFJFHSA-N 336.391 3.948 0 1 EHAF C[C@]1(C2CCOCC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962696648 AIYPZJHZTCZOJV-KXBFYZLASA-N 335.488 3.831 0 1 EHAF Cc1cc(-c2nnc(SCCC(=O)O)o2)c(Cl)cc1Cl 1857611152 IBDQQKNUSIWWFU-UHFFFAOYSA-N 333.196 3.919 0 1 EHAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)CNC3=O 1772646609 BICKYNKDFFMMHJ-MOPYOMAISA-N 331.456 3.520 0 1 EHAF Cc1ccc(-c2nc(CN(Cc3cnn(C)c3)C(C)C)c(C)o2)o1 12297411 VYNCDGSFMVMHAE-UHFFFAOYSA-N 328.416 3.696 0 3 EHAF O=C(Nc1ccc(OS(=O)(=O)c2ccccc2)cc1)C1CCCC1 1857617317 YPGLAIJFSZRSFJ-UHFFFAOYSA-N 345.420 3.583 0 1 EHAF C[C@]1(O)C[C@@H](C2=CC=CC=CC=C2)c2c(c3ccccc3oc2=O)O1 1857621397 LMJHSJCEICXGOL-HRAATJIYSA-N 334.371 3.976 0 1 EHAF COc1ccc(-c2[nH]c(=N)sc2-c2ccc3ncccc3n2)cc1 1857640090 URKCHDKGTQCXLB-UHFFFAOYSA-N 334.404 3.841 0 1 EHAF Cc1cccc2c1Oc1cc(Cl)ccc1[C@H]2NC(=O)CN(C)C 1624561 OXVAMFOKPUJRPQ-QGZVFWFLSA-N 330.815 3.521 0 1 EHAF COc1cc2c(cc1OC)CC(=O)c1cc(OC)c(OC)cc1C=C2 1650714 QOZMAWTZZQSRHW-UHFFFAOYSA-N 340.375 3.630 0 1 EHAF CN(C)CCSc1nc(-c2cccs2)cc(-c2cccn2C)n1 6072428 DHITVGBSDWRITB-UHFFFAOYSA-N 344.509 3.864 0 1 EHAF N[C@H](CCCCC[P@](=O)(c1ccccc1)[C@@H]1C=CC=CC1)C(=O)O 105525144 MPRXIYJLNGKBGR-GGUMNFRJSA-N 347.395 3.532 0 1 EHAF Oc1nc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)no1 73386266 KACKNDWWNBLGEU-OAHLLOKOSA-N 340.770 3.784 0 1 EHAF CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2O 66101246 WTPQRFSKUFBXKY-WWNBULGVSA-N 330.424 3.552 0 1 EHAF in-vitro CCCc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 29484335 ICWQIBMTIKAXDW-UHFFFAOYSA-N 347.462 3.697 0 1 EHAF Cc1ccc(CN2CC[C@@]2(C)C(=O)N[C@@H]2CCc3ccccc32)cc1 61908055 FFYCKUCVUJACLO-IRLDBZIGSA-N 334.463 3.763 0 3 EHAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356552435 QIVOTMOKECOCJC-DMEIWPGESA-N 334.500 3.566 0 1 EHAF CCC(=O)Oc1c(OC)c(OC)c(OC(=O)CC)c2c(C)cccc12 29314027 OYXVINHXYXINRH-UHFFFAOYSA-N 346.379 3.796 0 1 EHAF CCN(CC)CC(=O)N(COC(=O)C(C)(C)C)c1c(C)cccc1C 72178949 XKTLAGLKVXWFKB-UHFFFAOYSA-N 348.487 3.525 0 1 EHAF O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@]1(O)c1ccoc1 71333663 YKXLQKLADKPSRH-LJQANCHMSA-N 339.778 3.716 0 1 EHAF CCCCNc1ncc(C(=O)N[C@H](C)CC)c(-c2ccccc2)n1 82133232 IHXLLWHNHRXCRJ-CQSZACIVSA-N 326.444 3.884 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)C1=CC=C2n1ccnc1 147988107 AEPVGYINADKBGN-DBXVSBKESA-N 349.478 3.943 0 1 EHAF Nc1cccc(/C=C2\SC(=O)N(Cc3cccc(F)c3)C2=O)c1 96905867 IVKOJQUBPQDCQS-DHDCSXOGSA-N 328.368 3.644 0 1 EHAF CC1=N[C@@H](CC(C)C)C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc21 473158134 VFEQYIFWTMCFSK-INIZCTEOSA-N 330.428 3.818 0 1 EHAF CC[C@@H](Cc1ccc(C(=O)NCc2ccccc2C)cc1)C(=O)O 653793147 BPXISJBZFLMUBC-INIZCTEOSA-N 325.408 3.578 0 1 EHAF COc1cc(COc2cc3nccc(C(=O)O)c3[nH]2)ccc1Cl 653732539 VTUTUCVVSXMISL-UHFFFAOYSA-N 332.743 3.502 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(CCC)c1C)CC2=O 587475014 JZCNZDLUNPNVFQ-GOSISDBHSA-N 328.412 3.966 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccccc1 587602977 LXLAENWIIPMAEJ-RTBURBONSA-N 332.355 3.965 0 1 EHAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587441727 LZFBTUUYPGBQRD-VLIAUNLRSA-N 340.375 3.591 0 1 EHAF CCCSc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587409558 MLEQBMPBBSKTBM-OAHLLOKOSA-N 329.425 3.576 0 1 EHAF Cc1c(F)cc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1F 587132372 CZFXCHVWCXUUSV-UHFFFAOYSA-N 331.366 3.757 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=COCCC2)N1 587835840 QTFSBUXDXWZLIX-RFAUZJTJSA-N 326.209 3.858 0 1 EHAF O=C(CSCc1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587653699 DSWAVAHASAUYIX-UHFFFAOYSA-N 344.823 3.624 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC[C@H]2CCOC2)N1 587834643 LVIAXLUFFRTXFH-UHIISALHSA-N 342.252 3.980 0 1 EHAF Oc1ccc2c(c1)[C@](c1cccs1)(c1cccnc1Cl)NCC2 963350199 AAWZROOHMUSFDN-SFHVURJKSA-N 342.851 3.940 0 1 EHAF COc1c(Br)c(OC)c(C(C)=O)c2c1C=CC(C)(C)O2 1857752111 UEONWFOAVQSBSL-UHFFFAOYSA-N 341.201 3.853 0 1 EHAF COc1ccc(-c2ccccc2)c2cc(C(=O)N3CCOCC3)oc12 169346537 MNDYIAJHMUZJFH-UHFFFAOYSA-N 337.375 3.581 0 1 EHAF CCc1ccc(CN2C(=O)CC[C@]2(C)C(=O)NC2CCCCC2)cc1 218820 JAQRIXKSFUVHQD-OAQYLSRUSA-N 342.483 3.579 0 1 EHAF CN(C)c1nc(NN)c2c(-c3ccccc3)c(-c3ccccc3)oc2n1 1650422 PJZMQJHPXPAZDS-UHFFFAOYSA-N 345.406 3.908 0 1 EHAF COc1c2c(cc3occc13)O[C@@](OC)(c1ccccc1)C[C@@H]2O 14677180 JGLSWGKFWYOQEY-IFXJQAMLSA-N 326.348 3.757 0 1 EHAF biogenic CC(C)=CC(=O)O[C@@H]1CCC(C)(C)[C@@]2(C)[C@@H]3[C@@H](O)OC[C@@H]3C[C@@]12C 14765667 HAGIFKNVVLJIBB-BFPQKVGOSA-N 336.472 3.682 0 1 EHAF C/C(=C\C(=O)O)CC[C@@H]1[C@](C)(O)CC[C@H]2[C@](C)(CO)CCC[C@@]12C 36378668 IYSBWLRXTOIYFZ-GPNSTIHRSA-N 338.488 3.764 0 1 EHAF CCN(CC)CCC[C@@H](C)NCc1coc(-c2ccc(OC)cc2)n1 72185257 DOVDAQGJGVSJMH-MRXNPFEDSA-N 345.487 3.950 0 1 EHAF O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1Cc1ccncc1 84636015 NEWHUPHIYZQUDH-HMMYKYKNSA-N 339.398 3.912 0 1 EHAF O=C1[C@H]([C@@H](O)C/C=C/c2ccccc2)CCCN1Cc1ccccc1 103284490 WWGNCARHBCWSLP-AVFFBBGUSA-N 335.447 3.890 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C(=O)O 238732850 SFPQRJXDXQUVHX-RGUPTRDRSA-N 346.423 3.682 0 1 EHAF CC[C@]12CCCN3CC[C@@]4(c5ccc(OC)c(OC)c5N[C@H]4CC1)[C@@H]32 238783608 OCEROFXLARYYKO-FIRPJDEBSA-N 342.483 3.794 0 1 EHAF CCN1C(=O)/C(=C/C(=O)Nc2ccc3ncccc3c2)c2ccccc21 299854787 AOKNBIJZBMPALQ-GHRIWEEISA-N 343.386 3.623 0 1 EHAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OCCO4)c1F 587151287 GXITYQSKFOEZDC-QWRGUYRKSA-N 328.318 3.883 0 1 EHAF CN[C@H](c1cccnc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587220997 FBGHPWLRGHUGJG-GFCCVEGCSA-N 340.736 3.939 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-n3ccnc3)cs1)O2 587410106 KYZPIFGGAXFDDD-HNNXBMFYSA-N 325.393 3.531 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)s1)([C@H](C)O)O2 587410711 ONRGPOPPNVDVDW-FVMDXXJSSA-N 337.828 3.534 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4[nH]cc(C)c41)[C@@H](C2)C3=O 587440018 YIBPKHSBZQHMNA-LHSJRXKWSA-N 337.419 3.947 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1CC(=O)OCC)CC2=O 587485482 WTWYBSVDHNZKLT-XCLFUZPHSA-N 346.423 3.802 0 1 EHAF Cc1nn(C)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C 587622749 GOXSGLKVFPWTAX-UHFFFAOYSA-N 344.216 3.824 0 1 EHAF COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccc(Cl)cc1 587633092 RIZWZEAXCGTVCR-UHFFFAOYSA-N 331.730 3.978 0 1 EHAF COc1ccc(/C=C\Cc2nc3c(Cl)ccnc3[nH]2)c(OC)c1 587928461 DEMUKYHZCKZKRQ-ARJAWSKDSA-N 329.787 3.884 0 1 EHAF CC(C)c1nn(C)c2c1[C@@H](c1cnc3ccccc3c1Cl)NCC2 962923933 ZJNALKHPEYUBIA-LJQANCHMSA-N 340.858 3.980 0 1 EHAF CCOC(=O)c1ccnc([C@H]2N[C@H](CC)Cc3c2[nH]c2ccccc32)c1 962956979 ZFAIXEBQZJQWAQ-JLTOFOAXSA-N 349.434 3.753 0 1 EHAF Cc1nccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)c1O 962998740 QBWUQNKWXLQDAV-SFHVURJKSA-N 337.448 3.700 0 1 EHAF C[C@@H]1C[C@H]2Cc3ncc([C@H]4CCCCN4)cc3[C@]3(C1)NCCC[C@H]23 1857550515 CBXOHGXYZLTBEW-UNYZBHEASA-N 325.500 3.693 0 1 EHAF Cc1noc(C)c1-c1cc(O)cc([C@@H](O)c2ccc(Cl)cn2)c1 1857637960 HDZUDLHMKDHTLY-QGZVFWFLSA-N 330.771 3.794 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@]2(C)C(=O)CC[C@H]32)C1 2356501322 VEIFMBQHUYNEPN-DFCDKVORSA-N 346.467 3.709 0 1 EHAF CCCc1sc(C)nc1C(=O)N(C)C[C@H]1CCCN2CCCC[C@@H]12 2356737715 SMFKKURWDOXJIO-CVEARBPZSA-N 349.544 3.741 0 1 EHAF CC1=C[C@H](CNC2=CC=C[CH]N2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356841630 XCGMDJFNBVUVFK-KSZLIROESA-N 341.479 3.527 0 1 EHAF CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCC(C)CC2)c1C 2929556 DDOXGABSHASLPI-UHFFFAOYSA-N 338.451 3.925 0 3 EHAF CC(=O)c1cccc2c1O[C@H](C)C(=O)N2Cc1ccc(Cl)cc1 61904771 OQDAVYUWUGKWLZ-GFCCVEGCSA-N 329.783 3.857 0 3 EHAF COCCN1C(=O)COCc2ccc(-c3cccc(C(C)C)c3)cc21 74375561 BHJVHTLFDWUVLY-UHFFFAOYSA-N 339.435 3.987 0 3 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)NCC[C@@]4(C)[C@@H]3CC[C@]12C 29412532 NRBYKRJQRQZVLV-KFYPDWBNSA-N 347.499 3.687 0 1 EHAF c1coc(CNc2nc3ccccc3n3nc(-c4ccco4)nc23)c1 29124502 OZJYVUMBRBPLLL-UHFFFAOYSA-N 331.335 3.743 0 1 EHAF CCC(=O)N(c1cccc(Br)c1)[C@H]1CCC[C@H]1N(C)C 28242297 JJWFDAVLZOUOOZ-CABCVRRESA-N 339.277 3.675 0 1 EHAF COc1ccc(Oc2c(C)[nH]c3cc(S(C)(=O)=O)ccc23)cc1 28356771 ZEFPPDBVBWXRHW-UHFFFAOYSA-N 331.393 3.681 0 1 EHAF CCN(CC)CCOC(=O)[C@](C)(c1ccccc1)c1ccc(O)cc1 29321828 WFXACEPWPCLBGC-OAQYLSRUSA-N 341.451 3.583 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](NC(N)=O)CC[C@@]43C)[C@H]1CCC2=O 2356746074 RQUJDLYPEZVGRT-GHPQEMMVSA-N 330.472 3.555 0 1 EHAF COc1ccc2c(c1)C1=C(C)c3ccc(OC)c(OC)c3CN1CC2 2356809580 ARGKFIOBMZCYNC-UHFFFAOYSA-N 337.419 3.972 0 1 EHAF N[C]1Sc2ccccc2N1CC(=O)c1ccc(Br)cc1 2356852373 ARPGOAIQZDMSNC-UHFFFAOYSA-N 348.245 3.650 0 1 EHAF CCc1c(Oc2cc(C)cc(C)c2)n(CC2=CCCC2)c(=O)[nH]c1=O 43060001 NSNPXHYFVBJUNC-UHFFFAOYSA-N 340.423 3.618 0 1 EHAF Cc1ccc(-n2ncc(Cl)c(Oc3ccc(O)cc3)c2=O)cc1 95558398 FMFCQSRXVMJDLE-UHFFFAOYSA-N 328.755 3.692 0 1 EHAF COc1ccccc1CN1CC[C@@H](c2nc3cc(F)ccc3[nH]2)C1 51076688 GSUUDDCXAMPFMB-CQSZACIVSA-N 325.387 3.700 0 1 EHAF biogenic CC(C)(CC(=O)O)Cc1nc2ccc(F)c(Br)c2[nH]1 587956358 YFGZEJCZOFSZDL-UHFFFAOYSA-N 329.169 3.508 0 1 EHAF C[C@@]1(c2ccc(Cl)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 587499106 LEUKCELUKAELQU-SFHVURJKSA-N 328.799 3.889 0 1 EHAF O=C1C[C@H](c2ccccc2-n2cncn2)Oc2c1ccc1c2CCCC1 587517169 IGSCFLIZHYRPFO-HXUWFJFHSA-N 345.402 3.853 0 1 EHAF Cc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Cl 586923942 AYQYYHFAPDOQSJ-BQYQJAHWSA-N 332.812 3.969 0 1 EHAF O=C1c2ccccc2-c2cc([C@@]3(F)CCOC3=O)nc3cccc1c23 587103175 GJYPMZFMCPSNSG-FQEVSTJZSA-N 333.318 3.558 0 1 EHAF COc1ccc2nccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587395097 OKAWSEMKUBNQIK-IBGZPJMESA-N 334.375 3.841 0 1 EHAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587589140 UDVHLKDUPKVMFN-FXAWDEMLSA-N 333.343 3.799 0 1 EHAF COC(C)(C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587796164 SIDUSHJGXOOLFB-RFAUZJTJSA-N 330.241 3.763 0 1 EHAF Fc1ccc2nc(C(F)(Br)Br)[nH]c2c1F 587088853 SNWZCZUZPZSXTF-UHFFFAOYSA-N 343.928 3.711 0 1 EHAF Cc1cc(Br)cc2[nH]c(-c3ccc(NC(N)=O)cc3)nc12 587244073 WIOQJRKHGSYBEB-UHFFFAOYSA-N 345.200 3.791 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cn(C)c4ccccc14)[C@@H](C2)C3=O 587430300 GKQXGGLBERTFIE-BTYIYWSLSA-N 333.387 3.850 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(COc3ccc(F)cc3)nc2c1 587167865 AGAZADOTIOFULC-UHFFFAOYSA-N 334.734 3.721 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(C=COc3ccc(N)cc31)CC2=O 587472530 JGZKJCOWIPAHGK-HXUWFJFHSA-N 337.375 3.694 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccncc3)c1)CC2=O 587474983 JIMFTBWJSZFDIQ-LJQANCHMSA-N 349.390 3.632 0 1 EHAF CCO[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599303 DYOCRDAIANGRCM-MBOZVWFJSA-N 340.375 3.682 0 1 EHAF C[C@@H](Cn1sc2ccccc2c1=O)n1sc2ccccc2c1=O 1772617177 YRNQFVHMJLDVJI-NSHDSACASA-N 342.445 3.701 0 1 EHAF CCOC(=O)Nc1ccc(NCc2ccc3ccccc3c2)nc1N 1772583407 LGZNUOHSEPPVGG-UHFFFAOYSA-N 336.395 3.998 0 1 EHAF CCN1C(=O)CSc2ccc(C(=O)NCCC3=CCCCC3)cc21 260891 FNBJCZLFBUPQRQ-UHFFFAOYSA-N 344.480 3.766 0 1 EHAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4207474 NIXCSHRGIWFKQE-NVXWUHKLSA-N 346.814 3.941 0 1 EHAF CN(C)CCS[C@H]1c2ccccc2COc2ccc(C(=O)O)cc21 4631709 REZNTTJXTCGLCG-SFHVURJKSA-N 343.448 3.661 0 1 EHAF O[C@@]1(c2ccc(Cl)cc2)c2c(ccc3ccccc23)C2=NCCN21 13491115 LQCWQIGQIHPKEY-FQEVSTJZSA-N 334.806 3.762 0 1 EHAF Cc1ncccc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCCO1 13579715 JNAPEGOHICELQS-SFHVURJKSA-N 346.858 3.713 0 1 EHAF COc1ccc(CC[C@@H]2c3cc(OC)c(O)cc3CCN2C)cc1 14929279 IIZILRNADRBANM-GOSISDBHSA-N 327.424 3.571 0 1 EHAF biogenic NCc1cccc(C2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c1 28473721 MQGBZTPKIUNIBN-UHFFFAOYSA-N 333.435 3.646 0 1 EHAF C[C@]12CC[C@]3(C1)[C@@H](CC(=O)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O)CC2=O 40412263 AAHBHLKJLHUIPH-QOAIFKQFSA-N 332.440 3.622 0 1 EHAF CC1=C2CC/C(C)=C/C[C@H](O)[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1=O 40424349 PLXYTNVUDOBBTD-RMDRXMPUSA-N 332.440 3.603 0 1 EHAF Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(N2CCCCC2)n1 40892274 HYPUFMVVGWWDNR-UHFFFAOYSA-N 343.402 3.830 0 1 EHAF N=C(N)SCc1cccc2c1oc1c(CSC(=N)N)cccc12 43199849 DYFMZELGKHUTCS-UHFFFAOYSA-N 344.465 3.839 0 1 EHAF O=C(Nc1cccnc1-c1cccc(Cl)c1)c1cnn2cccnc12 95578551 MQGLDOPILNOMIH-UHFFFAOYSA-N 349.781 3.697 0 1 EHAF Cc1cccc(C#CC=C2CCN(C(=O)Cc3ccccc3)CC2)n1 142087466 RLOLKWLPQCITPX-UHFFFAOYSA-N 330.431 3.533 0 1 EHAF O=C1NCCc2[nH]c(-c3cccc4ccc(NC5CCCC5)nc34)cc21 222434190 XRZKMAHDTNYENT-UHFFFAOYSA-N 346.434 3.870 0 1 EHAF COc1cc2ccc(=O)oc2cc1OC/C=C(/C)C/C=C/C(C)(C)O 238735112 RZHGIBONLJZHIW-KPBXGNTFSA-N 344.407 3.844 0 1 EHAF Cc1c(Br)cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1C 586891018 MHAXGOSDIUNHPF-HNNXBMFYSA-N 347.212 3.730 0 1 EHAF COc1ccc2nc(-c3nc4cc5c(cc4[nH]3)OCCO5)sc2c1 587034434 FURKPEKNVWSPHE-UHFFFAOYSA-N 339.376 3.619 0 1 EHAF c1ccc(CN2CCO[C@H](c3cc4c5c(cccc5n3)CC4)C2)cc1 587212384 OPTHGIRVGBXTNM-NRFANRHFSA-N 330.431 3.907 0 1 EHAF O=C(/C=C\c1nc2cccc(Br)c2[nH]1)Nc1ccccc1 587245394 XJULFBDUFYTKNI-KTKRTIGZSA-N 342.196 3.977 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(C)cn1)O2 587375049 BKPGXTKZNQZGMR-OAHLLOKOSA-N 347.212 3.750 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2CC12CCOCC2 587415243 YXXUBOJGRSSTCL-JOCHJYFZSA-N 349.430 3.791 0 1 EHAF COc1cc2c3c(c1)O[C@@]1([C@@H](N=O)[C@H]4CC[C@]1(C)C4(C)C)[C@@H](C2)C3=O 587427116 CASCLXGKBZMYKU-ICLIJLJDSA-N 341.407 3.773 0 1 EHAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587441725 LZFBTUUYPGBQRD-JLTOFOAXSA-N 340.375 3.591 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C1(C)CC1)CC2=O 587478792 HFBNZJHMSUPWMA-FQEVSTJZSA-N 346.423 3.802 0 1 EHAF C=Cn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587759372 KOTVPWGQMWOICK-RFAUZJTJSA-N 336.208 3.509 0 1 EHAF COc1ccccc1CC(=O)c1nc2ncc(Cl)c(Cl)c2[nH]1 587932208 VQMGRQMNRREZMY-UHFFFAOYSA-N 336.178 3.699 0 1 EHAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587963720 RBOGCMIMVBXPDL-JGVFFNPUSA-N 347.287 3.770 0 1 EHAF Cc1cc2c(cc1F)[C@@](C)(c1c[nH]c(Br)c1C)NCC2 962149800 XUYXJHYHBDTJAJ-INIZCTEOSA-N 337.236 3.942 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(Cc2ncccc2C(=O)O)N1 962949628 PZNMBBUVHWZGER-YEJXKQKISA-N 349.434 3.643 0 1 EHAF COc1ccc(-c2cnc3cnc(-c4ccc5c(c4)OCO5)cn23)cc1 1857608974 LDVRUVPGLCNUEX-UHFFFAOYSA-N 345.358 3.801 0 1 EHAF COc1cc2c3c(c1OC)-c1cc(N(C)C)ccc1C[C@@H]3N(C)CC2 1911582997 HCTOCIWVPDVRFX-KRWDZBQOSA-N 338.451 3.522 0 1 EHAF O=C1[C@H]2CC[C@H](C2)[C@@]12C[C@]1(c3ccccc3)C(=O)c3ccccc3N1O2 1633311 BPLOZJUEXDCQPQ-LGAWVEOZSA-N 345.398 3.658 0 1 EHAF COc1cc2c(cc1-c1cc(=O)c3ccc4occc4c3o1)OCO2 14677171 BRFFHCOMPMJEIK-UHFFFAOYSA-N 336.299 3.944 0 1 EHAF biogenic CN1CCN(C2=Nc3cc(Cl)ccc3Nc3cscc32)CC1 27999979 KOCCKIVKQCCVIN-UHFFFAOYSA-N 332.860 3.784 0 1 EHAF CC[C@@H](Oc1cccc2nc(N)nc(N)c12)c1ccc(Cl)cc1 28971975 QKQJBXQVZYPHHL-CYBMUJFWSA-N 328.803 3.978 0 1 EHAF CC1=CN([C@@H]2OC(=O)[C@@H]3[C@@H](C)CC[C@@H]3[C@H]2C)C(=O)[C@@H]2[C@@H](C)CC[C@H]12 34235517 QTRZXLVUEGDULY-ZQRXIWEDSA-N 331.456 3.576 0 1 EHAF Cc1cc2ncc(S(=O)(=O)c3ccccc3)c(-c3ccccc3)n2n1 72120337 OJYVHWRDOUWIMS-UHFFFAOYSA-N 349.415 3.538 0 1 EHAF CC[C@H]1COc2cccc3c(=O)c(C(=O)N(C(C)C)C(C)C)cn1c23 95552224 NWQXSGCFNCWPHK-AWEZNQCLSA-N 342.439 3.604 0 1 EHAF O=C(c1ccc(Cl)c(O)c1)N1CCC[C@H]2c3ccccc3C[C@@H]21 96169423 ALHIQLXEDHIVKE-RDJZCZTQSA-N 327.811 3.990 0 1 EHAF O=C(Nc1nc(CF)cs1)c1cc(F)cc(Oc2cncnc2)c1 96939179 REAQGCOITRLVMV-UHFFFAOYSA-N 348.334 3.586 0 1 EHAF Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CC=CC3)cc12 118605375 PHIWHRQKTGUGOF-UHFFFAOYSA-N 332.816 3.559 0 1 EHAF CC(=O)O[C@@H](CCc1ccc(O)cc1)CC(=O)CCc1ccccc1 238757670 ZGRUCQHBPJJURU-NRFANRHFSA-N 340.419 3.849 0 1 EHAF O=C(O)/C=C\c1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 586879760 NJTCWXJTURYGRC-WAYWQWQTSA-N 333.269 3.742 0 1 EHAF Fc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1F 587007189 NPBBHDWVZGVTKW-UHFFFAOYSA-N 349.138 3.918 0 1 EHAF Cc1nc(Br)sc1-c1nc2cc(Cl)cnc2[nH]1 587012467 YFMUDQSUJJNLFI-UHFFFAOYSA-N 329.610 3.806 0 1 EHAF Oc1c(Br)ccc2nc(-c3cnc(Cl)s3)[nH]c12 587020951 DMTZJQLGQYCZLI-UHFFFAOYSA-N 330.594 3.808 0 1 EHAF Clc1ccc(C2=C[C@H](c3nc4c(Cl)ccnc4[nH]3)ON2)cc1 587077059 RLUHUFCAVIBDAR-GFCCVEGCSA-N 333.178 3.882 0 1 EHAF Cc1cc(Cl)cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 587128133 HBQWUUSAPNTYLG-UHFFFAOYSA-N 334.717 3.567 0 1 EHAF FC(F)Oc1ccc(-c2nc3cnc(Br)cc3[nH]2)cc1 587131146 ZZFHHDCZTLOBSM-UHFFFAOYSA-N 340.127 3.989 0 1 EHAF Fc1ccc2c(c1)C[C@H](c1nc3c(Br)ccnc3[nH]1)O2 587175094 WHXQRINALJGAOH-LLVKDONJSA-N 334.148 3.536 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3cccc(F)c3)c1)O2 587386017 WUILFSWUBMTQOO-SFHVURJKSA-N 337.354 3.609 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)nn1C1CCCC1)O2 587392645 USZMOGWKHFGHLA-GOSISDBHSA-N 325.412 3.904 0 1 EHAF Cc1cccc(-c2n[nH]cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587395727 GYABTUHCHDUROI-GOSISDBHSA-N 333.391 3.982 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(CN3CCCC3)c1)O2 587397287 ZIRAJAQHRWXHJP-FQEVSTJZSA-N 336.435 3.880 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C1CCOCC1)O2 587415299 ZROQFXZWTZMYNR-NRFANRHFSA-N 337.419 3.865 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)c4ccc(C)cc14)[C@@H](C2)C3=O 587430362 HCEFAPYZRNKXTD-YCRPNKLZSA-N 333.387 3.984 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1c(CC)nn(C)c1CC)CC2=O 587474764 HZEQNSWZKQXUFG-SFHVURJKSA-N 342.439 3.910 0 1 EHAF Cc1nc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)co1 587588102 RVRASJPYPQRZTI-QFBILLFUSA-N 337.331 3.566 0 1 EHAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C 587755372 PEPYFNIXORBAAH-ABKXIKBNSA-N 337.236 3.859 0 1 EHAF COC[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587791631 KFIKUWVJEZQQBI-MEBBXXQBSA-N 330.241 3.620 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(O)CCCC2)N1 587823728 VVVNXBDPQOTONP-ZUZCIYMTSA-N 342.252 3.643 0 1 EHAF COc1cc(C(=O)NCc2ccc(C(=O)O)cc2)ccc1C(C)(C)C 1772613445 URXVDQSLWXJJME-UHFFFAOYSA-N 341.407 3.621 0 1 EHAF NCc1cc(=O)c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2o1 1857572970 TYOVPVFSXXQTGN-UHFFFAOYSA-N 349.308 3.850 0 1 EHAF CC[C@@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)C(=O)C[C@]4(C)[C@H]3CC[C@]12C 2356565382 AYTMEYVBLXAHPT-OKTIHRIGSA-N 332.484 3.774 0 1 EHAF CCCCCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@@H]1[C@@H]1CCCC(=O)O1 2356607591 MYTQAYDWGRSARV-PJVZLEMVSA-N 336.472 3.523 0 1 EHAF C[C@H](NC(=O)CCc1ccccc1)c1cc2c(cc1Cl)OCCO2 4656388 DVUZSQXYXFGICU-ZDUSSCGKSA-N 345.826 3.921 0 3 EHAF CCc1cc(OC)c(OC)cc1[C@H](C)NC(=O)c1ccc(OC)cc1 356792 YENBFWVQXKROQU-ZDUSSCGKSA-N 343.423 3.766 0 1 EHAF C[C@H](Oc1ccccc1)C(=O)NCCSc1c[nH]c2ccccc12 2721033 HYQZLWGEZBICPM-AWEZNQCLSA-N 340.448 3.844 0 1 EHAF Cc1ccc(O)c(C(=O)NCCCN2[C@@H](C)CC[C@@H]3CCCC[C@@H]32)c1 29393546 JYSCQQFMBWWEBV-LNLFQRSKSA-N 344.499 3.864 0 1 EHAF O=C1C[C@@H](c2cccc(Br)c2)Oc2cc(O)cc(O)c21 40863329 NYKQDHRWOHMWTF-ZDUSSCGKSA-N 335.153 3.567 0 1 EHAF COc1ccc2oc(C(=O)c3cc(OC)c(OC)c(OC)c3)cc2c1 45351599 FLKHRHPYYLXENS-UHFFFAOYSA-N 342.347 3.698 0 1 EHAF c1ccc([C@H](Cc2ccccc2OCC2CC2)N2CCNCC2)cc1 49110621 AQGRUVIDIWOMIH-NRFANRHFSA-N 336.479 3.664 0 1 EHAF in-vitro O=C(N[C@H](c1ccccc1)C1CCNCC1)c1ccc2cnccc2c1 72179041 HERLPXJOFZEMRL-OAQYLSRUSA-N 345.446 3.706 0 1 EHAF O=C1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1 95607763 ZLDCLRRKTDHPKZ-UNMCSNQZSA-N 335.447 3.700 0 1 EHAF O=C(Nc1cc(Oc2cccnc2)ncn1)c1cccc(Cl)c1 96175609 LUTAUMDETUZKCG-UHFFFAOYSA-N 326.743 3.570 0 1 EHAF COc1ccc(C(=O)N2CCC(=CC#Cc3cccc(C)n3)CC2)cc1 141056231 YZZMULHNICLQPX-UHFFFAOYSA-N 346.430 3.613 0 1 EHAF Nc1cnc(Nc2ccccc2Cl)nc1Nc1cc(C2CC2)[nH]n1 203008141 YHWVXNNNYCXXRR-UHFFFAOYSA-N 341.806 3.800 0 1 EHAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@@H]3CC[C@]12C 253712447 VQISOTOPDCGBAH-JBAAOHBASA-N 349.515 3.924 0 1 EHAF Cc1cc2c3cnccc3cc(CCc3nc4ccccc4n3C)n2n1 299829056 PIJWWJLVISVNPQ-UHFFFAOYSA-N 341.418 3.863 0 1 EHAF COC(=O)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1OC 586885049 TZDKVWZWLPSVFT-WKQBDYJTSA-N 340.423 3.826 0 1 EHAF CC(C)c1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(O)c(C(C)C)c1 586896452 LZAKJGFEWCZZEG-UHFFFAOYSA-N 345.834 3.990 0 1 EHAF COc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1Cl 586908505 RKMKDNVDNSGWBP-VIFPVBQESA-N 330.771 3.806 0 1 EHAF COC(=O)c1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cn1 587074519 WPJWXPCPMRNQHS-UHFFFAOYSA-N 341.798 3.868 0 1 EHAF CCn1nc(C(F)(F)F)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587383721 VIXGKMVJBROIJV-CYBMUJFWSA-N 339.317 3.519 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(=O)c1ccc3ccccc3c1)O2 587406655 TXIHMSNNUZKALR-LJQANCHMSA-N 331.371 3.947 0 1 EHAF CC(=O)Sc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587408805 DMFAIOZMAOCJLA-QGZVFWFLSA-N 327.405 3.922 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](OCC(C)C)C1(C)C)[C@@H](C2)C3=O 587442758 NNCOQTMNFCZVDR-NBQZKYEYSA-N 330.424 3.653 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1CC(=O)OC)CC2=O 587480996 QIIYBFRLILPYHI-XCLFUZPHSA-N 346.423 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)cn1)CC2=O 587489718 VTIBNGBZVFSEHZ-GOSISDBHSA-N 327.380 3.845 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)O)s1)CC2=O 587496628 YWDYMBAAZAPNMH-SFHVURJKSA-N 346.404 3.985 0 1 EHAF CC1(C)C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587614907 DPCPTBFTIZPLLG-OXJNMPFZSA-N 340.375 3.682 0 1 EHAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587775035 YEFVERTWIZRBGZ-QFYYESIMSA-N 335.220 3.915 0 1 EHAF Cc1cncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587776610 YHEYCRZNGGWSPY-QLJPJBMISA-N 335.220 3.915 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(-c3c(C)cccc3OC)nc2c1 587786881 NNDCOIWOXYVJAF-UHFFFAOYSA-N 330.771 3.987 0 1 EHAF CC(=O)c1c(O)c2n(c1O)C(C)(C)[C@@H]1Cc3cccc4[nH]cc(c34)[C@H]21 957999558 QMBUCWVILCOIEG-WBMJQRKESA-N 336.391 3.636 0 1 EHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](C2=C(Cl)c3ccccc3C2)N1 962899018 GTSHHQVNHGPSOG-FUHWJXTLSA-N 343.785 3.672 0 1 EHAF COc1ccccc1C[C@@]1(C)NCCc2cnc3c(OC)cccc3c21 963044794 CXYAAYPLOYMQOS-JOCHJYFZSA-N 348.446 3.856 0 1 EHAF COC(=O)c1cc([C@H]2c3ccc(C)c4c3C3(CC3)CN42)cnc1Cl 963733611 WUOBEAKRQJCRBP-INIZCTEOSA-N 340.810 3.785 0 1 EHAF COc1ccc2c(ccn2C(=O)c2cc(C)nc3ccccc23)c1N 1857572878 SLVIEWPEHKTIOR-UHFFFAOYSA-N 331.375 3.777 0 1 EHAF COc1ccc2c(c1)CCN(C[C@@H](F)CCc1ccccc1)C[C@H]2O 1857621007 PNYGMIYJAXICCW-GHTZIAJQSA-N 343.442 3.558 0 1 EHAF CC(C)C[C@H](C(=O)N(C)C[C@H]1CCCN2CCCC[C@@H]12)n1cccc1 2356761499 MFDNVVHRBFBNBY-HSALFYBXSA-N 345.531 3.798 0 1 EHAF O=C1[C@@H]2CCCN2[C@H](c2cccc(F)c2)N1c1cccc(Cl)c1 104042717 DBECWDJCJBSIMI-IRXDYDNUSA-N 330.790 3.989 0 3 EHAF CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 767987 SOJLNCMLNPFNMG-WBVHZDCISA-N 346.789 3.659 0 1 EHAF COc1cccc(-c2cc(N)nn2C(=O)Nc2ccc(Cl)cc2)c1 4908536 ZARJTISKTPONHU-UHFFFAOYSA-N 342.786 3.875 0 3 EHAF aggregator C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 7997561 ZESRJSPZRDMNHY-ZTEVBBAKSA-N 330.468 3.696 0 1 EHAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1ccc(Cl)cc1 100025676 HDAJKNDDOIPHFG-NWCRWOLESA-N 335.787 3.761 0 1 EHAF C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102048671 MHGMYQNJCFLCSU-XIRDDKMYSA-N 345.483 3.920 0 1 EHAF FC(F)(F)Oc1cccc(Nc2nnnc3ccc(Cl)nc23)c1 103272006 HQSBUUWPDMGLHJ-UHFFFAOYSA-N 341.680 3.715 0 1 EHAF Cc1cn(-c2ccc(Nc3nccc(-c4ccncc4)n3)cc2)cn1 26654412 DMSPLBCHQDVOIO-UHFFFAOYSA-N 328.379 3.776 0 1 EHAF COc1cc2c(cc1OC)[C@@H]1CC(=O)C[C@H](c3ccccc3)N1CC2 2356842690 MXHIARMXHDFQBN-MOPGFXCFSA-N 337.419 3.707 0 1 EHAF COc1cc(C)c2nc3[nH]nc(C)c3c([C@H](O)c3ccccc3)c2c1 73200375 WSTGMPPXVXPWAQ-LJQANCHMSA-N 333.391 3.818 0 1 EHAF CC[C@]1(c2cccc(-c3cccc(Cl)c3)c2)NC(=N)N(C)C1=O 84632665 JDGYHXLXMUDRKO-GOSISDBHSA-N 327.815 3.609 0 1 EHAF CN1C(=N)N[C@](c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C1=O 84597094 BMNNJCHHHVKNJT-IBGZPJMESA-N 339.826 3.609 0 1 EHAF Cc1cccc(-c2cnnc(NCc3cc(-c4ccccc4)[nH]n3)n2)c1 95560436 JQLCXCXWSKZINP-UHFFFAOYSA-N 342.406 3.849 0 1 EHAF C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 299821145 WABPWKRYVLWCHS-FSUJSGGDSA-N 345.483 3.621 0 1 EHAF CCc1nn2cc(-c3nc4ccc(OC(C)C)cc4o3)nc2s1 653667574 SGCWALGQSZFDSG-UHFFFAOYSA-N 328.397 3.949 0 1 EHAF O=C(CCCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(Cl)cn1 587081695 UBYQVWLVBMNFHY-UHFFFAOYSA-N 339.786 3.693 0 1 EHAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sn1 587616303 BOWAGHJFLOIIDG-CRAIPNDOSA-N 339.372 3.860 0 1 EHAF COc1cccc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587929929 ARZXRDIUWYPZMG-UHFFFAOYSA-N 344.418 3.994 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=O)c1cccc(Cl)c1)O2 587376949 DYODWUZQOWXNKQ-SFHVURJKSA-N 329.783 3.837 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCOc4cc(C)cc(C)c41)[C@@H](C2)C3=O 587454716 WCHISROGYCSHCE-YCRPNKLZSA-N 336.387 3.737 0 1 EHAF Fc1cc(Cl)cc2nc(CSc3nnc(S)s3)[nH]c12 587025805 RKWXPSPIENFDMJ-UHFFFAOYSA-N 332.838 3.788 0 1 EHAF COC(=O)c1cc2nc(CCSCc3ccc(C)cc3)[nH]c2cn1 586971261 PYLUQXYWJZMORW-UHFFFAOYSA-N 341.436 3.529 0 1 EHAF O[C@@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccccc1Cl 587058601 HKGXRSHRKLBYNV-CYBMUJFWSA-N 330.668 3.854 0 1 EHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(O)cc2[nH]1 587081143 WIDFWDMZFASPLL-CYBMUJFWSA-N 326.787 3.646 0 1 EHAF Nc1cncc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587254905 YDAUUKHOUIKDNV-UHFFFAOYSA-N 328.681 3.759 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3nc(C)no3)c1)O2 587394596 IJHRGFXOJSJJEO-QGZVFWFLSA-N 335.363 3.642 0 1 EHAF COC(=O)c1cccc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c12 587928724 BLUPWKNZNJNDGA-XOBRGWDASA-N 336.391 3.803 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CCOC)(C1CCOCC1)CC2=O 587485681 JQSKVJCSXUSECQ-HXUWFJFHSA-N 348.439 3.512 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1c(C)ccc(C)c12 962943307 GPEUVUQZTREPJI-FPTDNZKUSA-N 345.446 3.905 0 1 EHAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cc2c(cc1N)OCO2 963222493 BKVKZFHJZDIBEJ-QKKBWIMNSA-N 338.451 3.918 0 1 EHAF COC(=O)N1CCc2cc(OC)c(OC)c3c2[C@H]1Cc1ccccc1-3 13481266 NZPPZYPCWOGFIQ-OAHLLOKOSA-N 339.391 3.593 0 1 EHAF endogenous,in-man NC(=O)c1ccc2[nH]c(-c3ccc(Oc4cccc(O)c4)cc3)nc2c1 13612095 PMCFOCQQFLSWEU-UHFFFAOYSA-N 345.358 3.827 0 1 EHAF in-vitro CC(C)NC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)n1 169699711 UCAXXLONPOURJE-UHFFFAOYSA-N 334.375 3.558 0 1 EHAF O=c1[nH]c2ccc(-c3csc(-c4ccc(F)cc4CO)n3)cc2o1 207631280 VNWSZYLVBOEIFI-UHFFFAOYSA-N 342.351 3.543 0 1 EHAF CC[C@@H](C)N1C(=O)c2ccccc2[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 427177 AZFAKNIDWIODHW-LTFPAQTLSA-N 342.483 3.923 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@@H]([C@@]32C)[C@]1(C)CC[C@@H]1CCOC1=O 2356420435 AOIVVVYELQRCFE-ISKMHPMOSA-N 332.440 3.644 0 1 EHAF Cc1cc(C)n2nc3nc(N4CCCC4)nc(-c4ccccc4)c3c2n1 3896171 CNXNLUBRFFVBSF-UHFFFAOYSA-N 344.422 3.557 0 3 EHAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4049872 FFEBFQZLVGUBTQ-WBVHZDCISA-N 328.437 3.756 0 1 EHAF COc1ccccc1CNc1ncncc1-c1ccccc1CN(C)C 4267672 GSHLEEBTZACNQS-UHFFFAOYSA-N 348.450 3.826 0 1 EHAF COc1ccc(/C(F)=C\c2cc(OC)c(OC)c(OC)c2)cc1N 6733330 PEQCBYIUCYFGKO-NTUHNPAUSA-N 333.359 3.771 0 1 EHAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)C4CCC4)C[C@@H]2N3)cc1 100085163 UFARXCJWPNOPQW-KOUNCHBCSA-N 346.474 3.728 0 1 EHAF O=c1[nH]ccc2nc(NCc3ccncc3)c(-c3ccccc3)cc12 64559126 KRBUNJKMPNSZEH-UHFFFAOYSA-N 328.375 3.597 0 1 EHAF CCOc1cc2c(cc1OCC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@H]3CN1CC2 28765438 ANDOQLXQJYNBHQ-BMFAXAFESA-N 345.483 3.564 0 1 EHAF COc1cccc(CN2CCC(CCCC(=O)c3ncco3)CC2)c1 29126675 LCYFGBZVLTYHBI-UHFFFAOYSA-N 342.439 3.948 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CNC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29405415 UOHCSROFYMVISA-BJFZXJCHSA-N 347.499 3.687 0 1 EHAF CC(C)CC[C@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 27886415 MJERNKUXPGQCMF-UJMXGEILSA-N 342.520 3.679 0 1 EHAF Fc1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1 66258382 OXIOVAKICLOVIB-UHFFFAOYSA-N 346.475 3.799 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]23O[C@H]2CC[C@H](C)[C@@]13C 238781943 DYUUYSPIUJKIFD-SBTMICPBSA-N 344.407 3.909 0 1 EHAF COc1ccccc1Cn1c2ccccc2c2cc(C(=O)O)ncc21 473128564 CFDRABDCZPPRKA-UHFFFAOYSA-N 332.359 3.945 0 1 EHAF COc1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cn1 587076226 QYAHBCRJDNASFZ-UHFFFAOYSA-N 339.786 3.781 0 1 EHAF N[C@@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1cccc2ccccc12 587258482 LFQLNINGBSIGRZ-AWEZNQCLSA-N 343.390 3.541 0 1 EHAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 587961434 FWDDPRVGBXVPEQ-YUMQZZPRSA-N 325.181 3.622 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1CCc1ccccn1)O2 587389229 GDTRFKLLLMYDAT-HXUWFJFHSA-N 347.418 3.723 0 1 EHAF COc1cccc(OC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527836 YZYHFGVEAJLAPM-KRWDZBQOSA-N 338.403 3.987 0 1 EHAF Brc1ccc2[nH]c(-c3ccc(Br)o3)nc2n1 587007695 NXNJQWUZIKIKDK-UHFFFAOYSA-N 342.978 3.743 0 1 EHAF Clc1ccc(C2=C[C@H](c3nc4cc(Cl)ncc4[nH]3)ON2)cc1 587077762 ZOEUFQJWOJGHLB-CYBMUJFWSA-N 333.178 3.882 0 1 EHAF CCc1ccccc1NC(=O)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587240880 KAFNRRNOQCXZOV-UHFFFAOYSA-N 345.305 3.699 0 1 EHAF CO[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587812448 QUXYGDPWENEEMF-JQAFLVLXSA-N 342.252 3.907 0 1 EHAF COC(=O)[C@@H](OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096175 HLVRZOGZNHWHPV-FQEVSTJZSA-N 347.370 3.615 0 1 EHAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC(F)F)c1 587381940 IVIZDSYPQCSSEI-INIZCTEOSA-N 349.333 3.894 0 1 EHAF Cc1ccc([C@@]2(c3cccc(F)c3)NCCc3ccc(O)cc32)cn1 963341173 MBVSUSNVYBXYKH-OAQYLSRUSA-N 334.394 3.672 0 1 EHAF CC(C)N1CCC(C)(NC(=O)c2c(Cl)cccc2Cl)CC1 1857602566 KNQSDTKKLWQCNT-UHFFFAOYSA-N 329.271 3.986 0 1 EHAF CCCC(=O)NC[C@H]1CCCCc2c1c1cc(OC)ccc1n2C 13777913 QTBHGNLTPMFKDT-CQSZACIVSA-N 328.456 3.913 0 1 EHAF O=C(CCc1ccccc1)c1c(O)[nH]c2cc(Cl)ccc2c1=O 13833633 NGKRXWFHUFEHOL-UHFFFAOYSA-N 327.767 3.703 0 1 EHAF Oc1nc2c(Cl)cc(Cl)cc2c2nc(-c3ccccc3)nn12 13860968 LHOMBPYUYAHXIV-UHFFFAOYSA-N 331.162 3.957 0 1 EHAF COc1cc2ncc3c(c(-c4ccccc4F)nn3C)c2cc1OC 169704847 UKHUNEONKVZNBJ-UHFFFAOYSA-N 337.354 3.945 0 1 EHAF Cc1cc(-c2cnc3ccn(CC(=O)N4CCCC4)c3c2)ccc1F 1857599773 UTCTYCLIJAXLMT-UHFFFAOYSA-N 337.398 3.773 0 1 EHAF CC(C)[C@H](CC1CCCCC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 1857633463 MJZYLOZSZJXEHY-VQTJNVASSA-N 344.499 3.518 0 1 EHAF COc1ccc2[nH]cc(CCNc3ccnc(-c4ccoc4)n3)c2c1 4264578 BUIPJAXBVPYADU-UHFFFAOYSA-N 334.379 3.881 0 1 EHAF COc1ccc2c(c1)CCCN1CCc3cc(OC)c(OC)cc3[C@@H]21 6411805 XCUJHGZDLPCNTA-OAQYLSRUSA-N 339.435 3.606 0 1 EHAF Brc1ccc(C2=Nc3ncnn3[C@H](c3ccco3)C2)cc1 13124833 ARHSCUPMOUGUMY-ZDUSSCGKSA-N 343.184 3.748 0 1 EHAF CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(S(C)(=O)=O)c3c2C1 13741727 WXMITIKKXMDVPX-HNNXBMFYSA-N 348.512 3.551 0 1 EHAF C[C@@H]1Oc2cc(O)c3c(c2C1(C)C)O[C@H](c1ccc(O)cc1)CC3=O 14825090 KITUBOBTRYFYBY-BONVTDFDSA-N 340.375 3.863 0 1 EHAF biogenic NCCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 36520095 WRSYZAHQXJDLAH-UHFFFAOYSA-N 329.783 3.527 0 1 EHAF CC(C)C(=O)CC[C@]1(C)CCc2c(c3ccccc3n(C)c2=O)O1 40897194 JEYMMXXYHADRSB-FQEVSTJZSA-N 327.424 3.628 0 1 EHAF biogenic COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1 100809848 XVOOTZXSASFQRD-NKGOVDKUSA-N 333.431 3.879 0 1 EHAF CCCCCSCc1cc(O)n2nc(Cc3ccccc3)nc2n1 103236958 LQTWIMPPRWDCEB-UHFFFAOYSA-N 342.468 3.844 0 1 EHAF CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)C[C@H]1C(C)(C)C 144731391 OUDHLZMJARLHAV-SFHVURJKSA-N 333.435 3.768 0 1 EHAF Oc1cccc([C@H](O)c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 586890443 JNXOJRUKGFRUIM-FQEVSTJZSA-N 346.386 3.929 0 1 EHAF Fc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1F 587006835 QCMIYDSJNFSQAG-UHFFFAOYSA-N 349.138 3.918 0 1 EHAF Cc1cc(F)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587043377 ZGTIOTRZOUZCRU-CVEARBPZSA-N 327.428 3.957 0 1 EHAF COc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1C 587177406 HXWOPUIVNPDWKE-UHFFFAOYSA-N 326.375 3.681 0 1 EHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(CO)cc2[nH]1)C(C)(C)C 587205403 QYBKORDNXUJEAB-HNNXBMFYSA-N 347.459 3.537 0 1 EHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1 587230916 JTVBSWOICRJOHK-OLZOCXBDSA-N 349.862 3.561 0 1 EHAF COc1ccc(C[C@@H](C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587385849 QROURUMGJWJXRW-BLVKFPJESA-N 343.398 3.938 0 1 EHAF Cc1ccc([C@@]2(c3nccn3C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587389030 DHWPEPBAIAFNNM-OAQYLSRUSA-N 347.418 3.528 0 1 EHAF CCc1nc(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587451444 OHFZFNYYMUDRHF-KZULUSFZSA-N 329.421 3.685 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c(C)c(C(=O)O)c1C)CC2=O 587484547 PLBKEIZPAKNJGH-OAHLLOKOSA-N 343.379 3.694 0 1 EHAF C[C@]1(C[C@@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616243 JJOSGWYAAQTDDQ-QKMWGZLOSA-N 340.375 3.682 0 1 EHAF CC(=O)c1c(C(F)(F)Br)[nH]c2c(C(=O)O)cccc12 587637620 DQZLQDINHATPLH-UHFFFAOYSA-N 332.100 3.513 0 1 EHAF Cc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856728 XOWNGUOCYSDMPZ-UOWDBTKRSA-N 341.249 3.977 0 1 EHAF CC[C@@]1([C@@H]2CCCNC2)NC2(CC2)Cc2ccc(Br)cc21 961617804 WIZRSXMGEZGYAK-KDOFPFPSSA-N 349.316 3.732 0 1 EHAF O=Cc1ccnc(-c2cc([C@@H]3NCCc4cc(Cl)ccc43)ccn2)c1 963391047 PAKLKNTYMZMDAF-FQEVSTJZSA-N 349.821 3.845 0 1 EHAF CC[Si](C)(C)c1ccc(CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 1772614119 FGDYQXYJIJOBJL-IGBVOLGGSA-N 343.587 3.795 0 1 EHAF C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 1857543556 LTYYEIAHBORAIW-ZDUSSCGKSA-N 328.799 3.740 0 1 EHAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@](C)(O)[C@@]12C 2356567001 CPGDJQWAOHOBFE-LGWHJFRWSA-N 346.423 3.892 0 1 EHAF CC[C@@]1(CCC(=O)OC)CCCN2C(=O)c3[nH]c4ccccc4c3[C@@H]21 2356570501 KJJBKPSOHHAYCX-QUCCMNQESA-N 340.423 3.808 0 1 EHAF C[C@H](CC[C@@H]1[C@](C)(O)[C@H](O)C[C@H]2C(C)(C)CCC[C@]21C)CC(=O)O 2356783267 LACGHZYLBIIQEJ-YSBNHYEQSA-N 340.504 3.842 0 1 EHAF CCOc1cccc(OCC)c2c(C)[n+](C[C@H]3CCCO3)c(C)c1-2 198836 IOZMBKCMBOCANU-MRXNPFEDSA-N 330.448 3.672 0 3 EHAF C[C@@]1(c2nnc(Cc3ccccc3)o2)CC(c2cccc(F)c2)=NO1 12726031 SKDDNYXLTAFCCS-IBGZPJMESA-N 337.354 3.839 0 3 EHAF COc1ccc(-c2nccc3[nH]nc(-c4ccncc4)c23)cc1OC 74388676 BTMLIJLSKZPYCJ-UHFFFAOYSA-N 332.363 3.704 0 3 EHAF Cc1nc2ccc(Cl)cc2c(=O)n1-c1nc2ccccc2s1 384518 BPXHWJJLASFCDU-UHFFFAOYSA-N 327.796 3.957 0 1 EHAF Cc1cccc(Nc2ncnc3c2nnn3CCc2ccccc2)c1 13778515 BZKYXXHXXFNVIV-UHFFFAOYSA-N 330.395 3.516 0 1 EHAF CCc1c(O)n(-c2ccccc2)c(SCc2ccccc2)nc1=O 103572228 SYLAFSXUQPPLTM-UHFFFAOYSA-N 338.432 3.793 0 1 EHAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)Nc1cccc(Cl)c1 117728765 NQMYZWASXVDGBG-INIZCTEOSA-N 331.803 3.645 0 1 EHAF O=C1Cc2ccccc2N1[C@@H]1C[C@@H]2C[C@@H](C1)N(Cc1ccccc1)C2 169363599 KMSRSLBWGAQZCH-YSIASYRMSA-N 332.447 3.629 0 1 EHAF Fc1cccc(-c2c(Cl)cnc3[nH]c([C@@H]4CCCNC4)cc23)n1 220184435 UPIXYBWVULYEJI-SNVBAGLBSA-N 330.794 3.884 0 1 EHAF Cc1ccn(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586987934 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CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(CO)C(CO)=CCC[C@@H]21 2356565255 SUIJWPJRFXANRY-QOJCHSLYSA-N 336.472 3.541 0 1 EHAF C[C@@H]1C(=O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)[C@H]4COCN4C5)[C@@H]2CC[C@H]1C3 2356783504 LODXPMYUQBAQMQ-SXMFIMJCSA-N 343.511 3.866 0 1 EHAF CC1(C)CN(C2CCCCC2)C(=O)[C@H]1CC(=O)Nc1ccccc1 61923215 GJWLQYRHGJFTDD-QGZVFWFLSA-N 328.456 3.833 0 3 EHAF C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@]45C[C@@H]4CC[C@]35C)[C@@H]1CC[C@]21C=CC(=O)O1 2356311985 OUBYDRMNFCCAQT-MLJNPGKQSA-N 342.479 3.852 0 1 EHAF Cc1c(C(=O)N2CCCC2)sc2ncnc(N3CCCC[C@H]3C)c12 2924262 CRWGXAIRJQDPNV-GFCCVEGCSA-N 344.484 3.615 0 1 EHAF O=C1[C@@H]([C@H](O)c2ccccc2Cl)CCCN1Cc1ccccc1 103284582 NFEWELYMDNXMCD-SJLPKXTDSA-N 329.827 3.812 0 1 EHAF O=c1cc(-c2cccnc2)[nH]c2cc([C@H](O)c3ccccc3)ccc12 66258566 JUCHZXYUHOLVCC-OAQYLSRUSA-N 328.371 3.672 0 1 EHAF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2ccco2)O[C@@H]1c1cccnc1 27723335 PGLLRZHYBMXBPA-OBPSWUCTSA-N 343.379 3.889 0 1 EHAF O=[S@](CCCCCc1ccccc1)c1nnc(-c2ccccn2)o1 28352922 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C/C=C(\C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](O)c3c(C)coc3C(=O)[C@H]12 238732375 JSAITVSNDUGDOQ-QBSSENITSA-N 346.423 3.748 0 1 EHAF Clc1ccc2c(NCc3ncc(CN4CCCC4)[nH]3)ccnc2c1 95562069 LQIIESHCEKKFNI-UHFFFAOYSA-N 341.846 3.819 0 1 EHAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@](C)(O)[C@@H](O)[C@@H]21 238740707 TZGCTXUTNDNTTE-BWZSVYRMSA-N 348.483 3.901 0 1 EHAF C[C@H]1CN2C[C@H]3CCC4=CCC[C@H]4[C@@]45CCC(=O)OC[C@]34CC[C@H]1[C@H]25 238746560 BEBRNYKNDUWCNV-RELGKXPHSA-N 341.495 3.787 0 1 EHAF COc1cc2oc(-c3ccc(F)cc3F)cc(=O)c2c(OC)c1OC 653794071 FQDHBCSJWIUMHB-UHFFFAOYSA-N 348.301 3.764 0 1 EHAF C[C@@H]1[C@@H](NC(=S)n2ncc3ccc(Cl)cc3c2=O)CCC[C@H]1C 587653707 DZUJJXLDUCYXOU-ZETOZRRWSA-N 349.887 3.597 0 1 EHAF CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F 587426399 MPLZJMPGOPSBAV-YJYMSZOUSA-N 328.339 3.722 0 1 EHAF CCOC(=O)[C@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587105766 DRXWNZTYQUDRCP-GFCCVEGCSA-N 343.382 3.724 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cc4cccc(O)c4o1)[C@@H](C2)C3=O 587456474 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LEUINGAMNRVXHK-UHFFFAOYSA-N 342.248 3.509 0 1 EHAF COc1cccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587929980 DXIHSAQSWNEQKD-UHFFFAOYSA-N 342.708 3.576 0 1 EHAF O[C@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1Cl 587058594 HIKQTHJFNQGRCD-NSHDSACASA-N 328.586 4.000 0 1 EHAF Cc1c(-c2cncn2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987860 SWHGCOPPPXJMAU-UHFFFAOYSA-N 341.370 3.861 0 1 EHAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccc(-c2nn[nH]n2)c1 963236178 XSGIIUFCOFVRSS-IFXJQAMLSA-N 333.439 3.613 0 1 EHAF Nc1nc(N)c2c(CSc3ccc(Cl)c(Cl)c3)c[nH]c2n1 13652163 VHDZNWUGIADNIP-UHFFFAOYSA-N 340.239 3.721 0 1 EHAF Cc1cc(=O)n2c(n1)CC/N=C(\c1ccccc1)c1cc(Cl)ccc1-2 169293114 UCWRPRUQRVRROF-LSDHQDQOSA-N 349.821 3.588 0 1 EHAF CCC(C)(C)N=c1nc(-c2ccncc2Cl)[nH]c2cnccc12 1857569749 OXIMJDPCKQGAMC-UHFFFAOYSA-N 327.819 3.763 0 1 EHAF Cc1cnc(NC(=O)CCCOc2cccc(C(F)(F)F)n2)s1 1857583442 YADXHYGKXJNCGM-UHFFFAOYSA-N 345.346 3.663 0 1 EHAF CCc1nc(C)cn1-c1ccc2nc(O)c3c(C)nc(CC)n3c2c1 13047 WSEIXVLFQCKSDH-UHFFFAOYSA-N 335.411 3.515 0 1 EHAF O=C(Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12)NC1CCCCC1 211873 HDXDWDJDDVCIAL-UHFFFAOYSA-N 334.803 3.511 0 1 EHAF O=C(NCc1cccs1)c1cc2c(=O)[nH]c3ccccc3c2s1 429592 ATBCMYDPIWEUDQ-UHFFFAOYSA-N 340.429 3.734 0 1 EHAF CC(C)=C1[C@H]2C=C[C@@H]1[C@@H](C(=O)Nc1cc(C)ccc1C)[C@@H]2C(=O)O 7991236 WXJDHIUYCWULNV-MJSCVDMRSA-N 325.408 3.711 0 1 EHAF O=c1[nH]c(/C=C/c2ccccc2)nc2ccc(Br)cc12 29464633 GZYFJIWNVOVZTF-RMKNXTFCSA-N 327.181 3.856 0 1 EHAF O=P(O)(O)[C@@H](NCc1ccccc1)c1cccc2ccccc12 26278862 TUWDVNPXMPBNDB-GOSISDBHSA-N 327.320 3.806 0 1 EHAF COC(=O)c1c(NC(=O)Nc2ccc(F)cc2)cc(C(C)(C)C)n1C 28223784 PVLJHCGNLKOJPV-UHFFFAOYSA-N 347.390 3.892 0 1 EHAF CC(C)=CCCOc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O 2356744060 ZLSZTJRWLQRSTQ-UHFFFAOYSA-N 340.375 3.674 0 1 EHAF CCN1CCC[C@H](c2c(-c3ccccc3)ncn2CCc2c[nH]cn2)C1 65462285 IWPGYRCPWHDNLS-SFHVURJKSA-N 349.482 3.715 0 1 EHAF Cc1ccc(-c2nnc(NC(=O)COc3ccccc3F)o2)cc1C 66136422 VOUMDFQXSXRKCI-UHFFFAOYSA-N 341.342 3.510 0 1 EHAF CC(=O)N[C@@H]1CC[C@H](C(=O)N(C)c2ccc(-c3ccccc3)cc2)C1 72125217 SSUPGTNPEZPMHH-RBUKOAKNSA-N 336.435 3.621 0 1 EHAF C[C@H]1CN2C[C@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 35075256 HUPDWIIWCCBRMP-ZHODDXKCSA-N 336.479 3.705 0 1 EHAF CC(C)CCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21 38142852 BJNUQHPOWZAQPO-UHFFFAOYSA-N 334.423 3.774 0 1 EHAF CC(C)c1cccc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)n1 77565777 DHNZFYAPKDFVLQ-HXUWFJFHSA-N 327.472 3.576 0 1 EHAF COc1cc(/C=C/C(=O)OCCc2ccccc2)cc(Cl)c1O 40935435 SILXDQNQGJPDTM-BQYQJAHWSA-N 332.783 3.853 0 1 EHAF CC[C@H](C)CN1C(=O)CSC[C@]1(C)C(=O)Nc1c(C)cccc1C 199231847 GAOWONUXEUPBAE-ORAYPTAESA-N 348.512 3.622 0 3 EHAF Clc1cccnc1N1CCc2ncnc(Nc3ccccc3)c2C1 147154418 SAFQILJTHSUDDZ-UHFFFAOYSA-N 337.814 3.831 0 1 EHAF COc1ccc2nc(-c3nc4c(C(=O)O)cccc4[nH]3)sc2c1 587035536 RRBPEBPORFAPAR-UHFFFAOYSA-N 325.349 3.546 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(O)ccc(Cl)c1F)[C@@H](C2)C3=O 587425330 BSSPPDWLXASNLE-XYZCENFISA-N 334.730 3.682 0 1 EHAF COC(=O)[C@H](OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096179 HLVRZOGZNHWHPV-HXUWFJFHSA-N 347.370 3.615 0 1 EHAF COc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1Cl 587087755 GHXXQYYDBJXCSU-QMMMGPOBSA-N 327.762 3.975 0 1 EHAF C[C@]1(c2cncs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616376 CSZHQAPXWGQDTP-CRAIPNDOSA-N 339.372 3.726 0 1 EHAF C[C@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580156 QZJTZAGLKNGKDS-GHTZIAJQSA-N 347.370 3.851 0 1 EHAF CC(C)Oc1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 586924517 RJBGALJAHFOJHK-KHPPLWFESA-N 342.420 3.795 0 1 EHAF CC(C)C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990766 GTBXOMBDQIFIAX-UHFFFAOYSA-N 331.371 3.919 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1coc(-c4ccccc4)n1)[C@@H](C2)C3=O 587435591 HGPXGFPGKCUUFL-LIRRHRJNSA-N 333.343 3.839 0 1 EHAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587028828 ZNTIOHMEZZEATL-UHFFFAOYSA-N 349.419 3.875 0 1 EHAF C[C@@H](c1ccc2c(O)nc(O)nc2n1)c1ccccc1C(F)(F)F 587368236 KVLQKPUEPINRDF-MRVPVSSYSA-N 335.285 3.607 0 1 EHAF COc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2n1 587075086 AWGIVCGBQDSWLP-UHFFFAOYSA-N 339.786 3.781 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncs2)N1 587854121 QAUSRUXSXWVZQE-RMLUDKJBSA-N 341.249 3.842 0 1 EHAF CCc1cccnc1[C@@]1(C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962619980 HYNRPMJKARPTDM-LHSJRXKWSA-N 340.467 3.801 0 1 EHAF CN1CCC[C@@H]1COc1cnc(Cl)c(/C=C/c2ccncc2)c1 22308 RWKPRGCPWHRQIL-DWTRPJMMSA-N 329.831 3.773 0 1 EHAF in-vitro Cc1ccc(Nc2nc(Cl)nc3[nH]cnc23)c(-c2cc(C)[nH]n2)c1 1772633995 GRVPPQQQVLQGGX-UHFFFAOYSA-N 339.790 3.757 0 1 EHAF CC(C)(C)C12COC(c3ccc(Br)cc3)(OC1)OC2 5351513 WVJTXFQAOGLCIC-UHFFFAOYSA-N 327.218 3.669 0 1 EHAF CC(C)[C@H](CO)NCc1nc([C@@H](C)c2ccc(F)cc2)ccc1F 204423735 KIQXDLZDEBTALM-DJJJIMSYSA-N 334.410 3.618 0 1 EHAF CN1CC[C@H](C(=O)c2cncc(-c3cccc4ccccc34)c2)C1=O 205750920 DPKXAAMNOXNCKV-LJQANCHMSA-N 330.387 3.563 0 1 EHAF O=C1c2ccccc2[C@@]2(c3ccc(Cl)cc3)N[C@H]3CCCC[C@@H]3N12 1862002 MXXCXERMDNXHFJ-BJLQDIEVSA-N 338.838 3.911 0 1 EHAF COc1ccc2nc3c(O)n(Cc4ccc(Cl)cc4)cnc-3c2c1 103533898 ISZYOVXBDRFJDN-UHFFFAOYSA-N 339.782 3.952 0 1 EHAF Cc1cc(=O)n2c(n1)CCN=C(c1ccccc1)c1cc(Cl)ccc1-2 39247865 UCWRPRUQRVRROF-UHFFFAOYSA-N 349.821 3.588 0 1 EHAF O=C(OCc1ccccc1)N1CCC(CNc2cccnc2)CC1 33993395 FMAJVYNCYIOPMK-UHFFFAOYSA-N 325.412 3.542 0 1 EHAF CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@@]1(C)Oc2ccccc2C1=O 40951747 UOANXIRYYUJTRQ-SXOKQHHWSA-N 348.402 3.744 0 1 EHAF CCc1cc2c(nc1CC)CCCN2S(=O)(=O)c1ccccc1C 199725197 KIMYVPZVTRVXQG-UHFFFAOYSA-N 344.480 3.656 0 3 EHAF Cc1cc(C(=O)O)cc(-c2cnc(N)c(N[C@H](C)c3ccccc3)n2)c1 96284815 YHOZUAHPPJGNAH-CYBMUJFWSA-N 348.406 3.906 0 1 EHAF O=C(Nc1cc2c3c(c1)CCCC3CCC2)c1ccc(C(=O)O)nc1 96907586 OAOPNICFAVZYDG-UHFFFAOYSA-N 336.391 3.788 0 1 EHAF COC(=O)c1cccc(Nc2[nH]nc3c2Cc2cc(OC)ccc2-3)c1 473136239 OJMPOJMXEHHJBT-UHFFFAOYSA-N 335.363 3.520 0 1 EHAF COc1cccc(OC(=O)Cc2nc3cccc4c3c(c2C)CC4)c1 587213725 KOKAHSSVTWENNS-UHFFFAOYSA-N 333.387 3.799 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc([C@H](C)N(C)C)c1)[C@@H](C2)C3=O 587427648 DSAIJBSGXPBEJO-ODLKPZKQSA-N 337.419 3.807 0 1 EHAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(Br)nc2[nH]1 587168373 HBVZYVQVOJOILB-MRVPVSSYSA-N 336.164 4.000 0 1 EHAF COc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cn1 587232619 WNFYLHQCHSROFT-UHFFFAOYSA-N 334.379 3.516 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)n(C)n1)[C@@H](C2)C3=O 587433607 ZLWWSBPXLHSFSP-YCRPNKLZSA-N 346.386 3.584 0 1 EHAF Cc1oncc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793088 JLJRGSPFPMIXAK-VXJOIVPMSA-N 339.208 3.682 0 1 EHAF COc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1F 586983379 ZYDGNHWVQLQRFY-UHFFFAOYSA-N 349.159 3.953 0 1 EHAF FC(F)(F)c1c(Br)ccc2nc([C@@H]3CCOC3)[nH]c12 586912441 RXJKTMAUFFNHND-ZCFIWIBFSA-N 335.123 3.848 0 1 EHAF O=C1C[C@H](c2cnn(-c3ccccn3)c2)Oc2c1ccc1c2CCCC1 587517361 LXZJRHQJCSGHKA-LJQANCHMSA-N 345.402 3.853 0 1 EHAF Cc1ccnc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc12 587206862 YFKGZCMPJBECOV-LBPRGKRZSA-N 332.448 3.748 0 1 EHAF O=C1C[C@@H](c2cccc(-n3cncn3)c2)Oc2c1ccc1c2CCCC1 587517566 PSQOTTKUBGADDX-FQEVSTJZSA-N 345.402 3.853 0 1 EHAF Clc1ccc(CN2CCC[C@H]2c2nc3c(Cl)ncnc3[nH]2)cc1 587074339 SREIJACNDFCNCT-LBPRGKRZSA-N 348.237 3.997 0 1 EHAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccnc(O)c2[nH]1 587782883 RMXOLLKTMROUFD-UHFFFAOYSA-N 333.347 3.615 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cnn1CC)CC2=O 587459931 FAUOWMWPAFRWAH-OAHLLOKOSA-N 334.803 3.921 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(=O)C(C)C)C(=O)OCC 963225574 FLKAQYDEYPAKFO-IIBYNOLFSA-N 345.483 3.717 0 1 EHAF C[C@@H]1N=C(c2cccc3ccccc23)Nc2nc3ccccn3c2C1=O 1772619078 BEMJKBWGKKGUIM-ZDUSSCGKSA-N 340.386 3.931 0 1 EHAF CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1ccccc1Br 5886527 UEGXJOKDHRQSOS-UHFFFAOYSA-N 349.272 3.665 0 1 EHAF C[C@]1(c2nnc(-c3ccc(Cl)cc3)o2)CC(c2ccncc2)=NO1 13660330 SRCVTYGMOHBCER-QGZVFWFLSA-N 340.770 3.825 0 3 EHAF N[C@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1 14961041 OKPZLGADXZOPNX-HNNXBMFYSA-N 335.798 3.721 0 1 EHAF COc1ccc([C@H]2c3c(n[nH]c3C)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1 169690526 ZRHYTCOPPFMLFP-ZWKOTPCHSA-N 337.423 3.950 0 1 EHAF COc1ccccc1N1CCN(CC[C@@H](N=O)c2ccccc2)CC1 169717036 HHOMYFRSRZWYOK-GOSISDBHSA-N 339.439 3.715 0 1 EHAF Cc1cc([C@@H](CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl 1857604323 KAYDCNXQTQFWMU-CYBMUJFWSA-N 329.787 3.537 0 1 EHAF CCCc1nc(SCC(=O)NC2CCCC2)c2ccccc2n1 1342694 SONHTIPKNGQDNS-UHFFFAOYSA-N 329.469 3.733 0 3 EHAF C[C@@H]1Oc2c(c(O)cc3oc(=O)cc(-c4ccccc4)c23)C(=O)[C@H]1C 1617585 DLUPGSAQAPMEDY-QWRGUYRKSA-N 336.343 3.765 0 1 EHAF CC(C)Cc1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2[nH]c1=O 2500005 HYWPZZZGGWIZLQ-RHSMWYFYSA-N 340.471 3.676 0 1 EHAF CCCn1c(=O)n(-c2ccccc2)c(=O)c2sc3ccccc3c21 6739253 XNWFIXNEJBVCIQ-UHFFFAOYSA-N 336.416 3.777 0 1 EHAF COc1cc(Nc2ncc(Cl)c(=Nc3ccccc3C)[nH]2)ccn1 1911578362 SNYJZDUOFHESPH-UHFFFAOYSA-N 341.802 3.751 0 1 EHAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)c1ccc(Cl)cc1)C2 101323954 ORCABDYHKMFFSB-CQSZACIVSA-N 330.767 3.595 0 1 EHAF CNC(=O)c1ccc(-c2nc(CN3CCc4ccccc43)c(C)o2)cc1 8608146 SIXHGYVLOPQPEC-UHFFFAOYSA-N 347.418 3.572 0 1 EHAF CN1CCCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 22778615 MTLBWLDYHWAFEN-MRXNPFEDSA-N 347.915 3.985 0 1 EHAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@H](C2)[C@H]1CCC(=O)C3 29471281 NNUUOAQJUHMLDS-FCEUIQTBSA-N 339.479 3.733 0 1 EHAF C[C@@]12CC[C@H]3[C@H](CC[C@H]4C[C@]5(C)NC[C@@](C)(O5)[C@@]43C)[C@@H]1C[C@H](O)C2 2356479409 OKHJETVYDDGMLT-UXXFREBZSA-N 333.516 3.705 0 1 EHAF O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)Oc1ccccc1 33494170 WBXNJYFKHKHSQN-UHFFFAOYSA-N 330.453 3.618 0 1 EHAF CCN(CC)Cc1ccc(C(=O)c2ccc(OC)c(OC)c2)cc1 40423975 KOWJTVNFWKBGJT-UHFFFAOYSA-N 327.424 3.777 0 1 EHAF Fc1ccc(N2CCN(CCCn3ccc4ccccc43)CC2)cc1 87722056 ROSNMWHSNPNNNC-UHFFFAOYSA-N 337.442 3.993 0 1 EHAF CN1CC[C@@H]2[C@H](CCC[C@H]2NC(=O)c2ccc(C(F)(F)F)cc2)C1 253700183 VAZHUCJZNBKCDN-FVQBIDKESA-N 340.389 3.556 0 1 EHAF CC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255202169 CIUZTBJZAMUYJU-PWPXMAOPSA-N 334.500 3.710 0 1 EHAF CN(CCc1ccccc1)Cc1cnc([C@@]2(C)CCCCO2)nc1 299850723 JQLHCTWTNUFXBW-HXUWFJFHSA-N 325.456 3.567 0 1 EHAF COC(=O)[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587105857 AXCQBXYQGNQUPO-OAHLLOKOSA-N 329.355 3.649 0 1 EHAF O=Cc1cc(Br)cc(-c2nc3c(Cl)ccnc3[nH]2)c1 586982724 OXPBEIGDHUEGGR-UHFFFAOYSA-N 336.576 3.853 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc(C(=O)O)c1)O2 587378034 MAGDFGOPFJYBLX-OAHLLOKOSA-N 331.755 3.635 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C)c(F)c1F)[C@@H](C2)C3=O 587422804 FUZHVSYRCGMQHI-DJJJIMSYSA-N 330.330 3.945 0 1 EHAF Fc1cnc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 587126759 GHBNKKKJGMRIJN-UHFFFAOYSA-N 337.236 3.539 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2F)N1 587728178 RJALIMSQBMWNLH-VXJOIVPMSA-N 339.183 3.746 0 1 EHAF N=c1[nH]c(-c2cccc(-c3nc4cncc(Cl)c4[nH]3)c2)cs1 587022167 VKGYPCSJLUNFQZ-UHFFFAOYSA-N 327.800 3.814 0 1 EHAF COC(=O)Nc1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cn1 587244582 GLQBCYHEFWQXCH-UHFFFAOYSA-N 338.154 3.505 0 1 EHAF CC(C)(C)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 587127854 CBUFUGFVYOLXFP-UHFFFAOYSA-N 342.353 3.903 0 1 EHAF COC(=O)c1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)n1C 962661878 KWJKJMIULHXNHC-OAQYLSRUSA-N 346.430 3.714 0 1 EHAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(C)cc2)cc1OC 203678182 FRPDTQNAJHUNFC-ZWKOTPCHSA-N 340.419 3.587 0 1 EHAF C[C@H](CO)c1c(O)ccc2c1CC[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C 15117827 LJYJNFNZISKIBV-KRVNLHHGSA-N 332.440 3.583 0 1 EHAF C/C=C(\C)C(=O)O[C@H]1C[C@@]2(C)CC[C@H](C(C)C)[C@]2(O)CC[C@@]1(C)O 5480235 SARMJLPHTLNPQI-RGOCFINGSA-N 338.488 3.603 0 1 EHAF COC=C(c1cc(OC)cc(OC)c1)c1ccc(OC)c(OC)c1 1857623309 XTZJATGJPJIUEC-UHFFFAOYSA-N 330.380 3.757 0 1 EHAF CN1CC[C@@H]2[C@H](CCC[C@@H]2NC(=O)c2ccc(Cl)cc2Cl)C1 1841688 WORUCROBZFMMIS-KFNAQCHYSA-N 341.282 3.844 0 1 EHAF CC1(C)[C@H]2CC[C@]3(C)C[C@H]([C@@](C)(O)CO)CC[C@H]3[C@@]2(C)CC[C@H]1O 2356330255 QDHSQPWXQCVCIZ-VMXMZTHUSA-N 338.532 3.750 0 1 EHAF Cn1cccc1[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl 3182038 YFZLEIOJJYDKRI-GFCCVEGCSA-N 331.630 3.866 0 3 EHAF CCC(=O)Nc1cc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1 4093259 DYBQITVHPHGELY-UHFFFAOYSA-N 341.455 3.893 0 3 EHAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1C[C@@H](CCCO)[C@@H]2O 28655105 BLJHCXGIQLFCAK-OQJMNXIRSA-N 348.527 3.958 0 1 EHAF CC[C@]1(C(=O)N[C@@H](C)COc2ccccc2)[C@H](C)C1(Cl)Cl 29341335 IHMYHDMFLZNJLA-SLEUVZQESA-N 330.255 3.790 0 1 EHAF COc1ccc([C@](C)(O)c2nc(-c3cccc(O)c3)cs2)cc1 61928418 WQHVQIHVLAYRJP-SFHVURJKSA-N 327.405 3.780 0 3 EHAF CC=C1CN2CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1CCOC 2356535087 OJQWEELBMCSJSY-LIRRHRJNSA-N 326.440 3.775 0 1 EHAF CCOc1c(Cl)cccc1O[C@H](c1ccccc1)[C@H]1CNCCO1 29049117 FUHOKNRCOVAKDB-QZTJIDSGSA-N 347.842 3.847 0 1 EHAF in-vitro CC(C)c1cccc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)n1 77565773 DHNZFYAPKDFVLQ-FQEVSTJZSA-N 327.472 3.576 0 1 EHAF O=C1C[C@H](c2ccccc2Br)n2c(nc3ccccc32)N1 72178655 CUKFGLVUIVXNLP-CQSZACIVSA-N 342.196 3.730 0 1 EHAF COc1ccc([C@@H]2Oc3ccc(C)cc3C[C@H]2OC(C)=O)cc1OC 45353809 MBCLXHCYRIDILA-UXHICEINSA-N 342.391 3.620 0 1 EHAF CN1CCC[C@H]1COc1cnc(Cl)c(/C=C\c2ccncc2)c1 199018504 RWKPRGCPWHRQIL-AWFCHZOYSA-N 329.831 3.773 0 1 EHAF in-vitro CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NSc1ccccc1 95596572 SMQKHQYPWWLYRU-SFHVURJKSA-N 340.448 3.939 0 1 EHAF C[C@H](CCC(=O)O)Cc1nc2cc(Br)cc(F)c2[nH]1 587962228 BQNHPDMNWCTQGE-SSDOTTSWSA-N 329.169 3.508 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2OCCC2(C)C)N1 587828834 AAPRGHRLDIVNFC-TURNYIBQSA-N 342.252 3.979 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)CN(C)C)N1 587741232 MJKFYNLJSGKFCN-MEBBXXQBSA-N 343.284 3.751 0 1 EHAF CCOC(=O)C1(C)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587524365 NBOKRIPSOSNBOG-UHFFFAOYSA-N 328.408 3.633 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCC[C@H](C(F)(F)F)C1)[C@@H](C2)C3=O 587424151 XQUHPXSRFSKBRY-PKWAYOAASA-N 326.314 3.934 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncn1Cc1ccccc1)O2 587390181 KYAANASEJJPLCV-IBGZPJMESA-N 333.391 3.529 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(COc1ccc(F)c(F)c1)[C@@H](C2)C3=O 587427849 WJZXZVUTTICVPO-ORAYPTAESA-N 346.329 3.559 0 1 EHAF CCC1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1 587616247 JJZSTDYAIVNYBC-LPHOPBHVSA-N 340.375 3.539 0 1 EHAF CCc1nc2c(s1)[C@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587413588 HRDQSXNQLMJXJC-SFHVURJKSA-N 328.437 3.793 0 1 EHAF O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc(F)cc(Cl)c12 1772651904 BIHPJDRKTXPLAC-UHFFFAOYSA-N 336.794 3.603 0 1 EHAF CC(C)[C@@]1(O)CCC2=C(CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]23C)[C@@H]1O 207321893 HBNMFHJIMJHWIA-PPLKHSGQSA-N 336.472 3.516 0 1 EHAF C[C@@H](CC(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 2464404 JNDAQUMQXJWVKQ-ULQDDVLXSA-N 338.451 3.767 0 1 EHAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occc13)C=C[C@H](O)[C@@H]2C 2356453363 VTTQQQRAJGAPLK-LRDDRELGSA-N 342.391 3.942 0 1 EHAF c1ccc2oc(-c3cncc(-c4cnn(C5CCNCC5)c4)c3)nc2c1 53246986 PSCOYMZGAITFRJ-UHFFFAOYSA-N 345.406 3.678 0 1 EHAF OC1=C2C(=Nc3cc4c(cc3[C@@H]2c2ccc(F)cc2)OCO4)CO1 101919317 HQLDRFOGWGLUIT-INIZCTEOSA-N 325.295 3.572 0 1 EHAF CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)OCC(=CCO)CC[C@H]1O 2356415022 XRDHAXIOHKTIGF-AHRSYUTCSA-N 338.488 3.567 0 1 EHAF O=[S@@](C[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12)c1ccccc1 27884184 HTVFYUVEJALYGO-SGIRGMQISA-N 345.467 3.938 0 1 EHAF C=Cc1ccc(C(=O)c2c(SC)cc3n2CC[C@@H]3C(=O)O)cc1 28225619 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MFHQYQOIPCWNJA-UHFFFAOYSA-N 340.452 3.686 0 1 EHAF Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1 13680744 WWENIERBTIAOJG-UHFFFAOYSA-N 341.223 3.600 0 1 EHAF COc1ccc([C@H]2CCN(C(=O)C(C)C)C2)cc1OC1CCCC1 13741121 VBFVRCZURXZXLS-INIZCTEOSA-N 331.456 3.989 0 1 EHAF O=C(Cn1cc(Cc2csc3ccccc23)nn1)Nc1ccccc1 169327269 CVHBTIZLSLSURM-UHFFFAOYSA-N 348.431 3.722 0 1 EHAF Cc1ccc(-c2cn(Cc3ccc(-c4cnn(C)c4)cc3)nn2)cc1 1857533853 VZHPNWDSQYCLOK-UHFFFAOYSA-N 329.407 3.702 0 1 EHAF C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](COC(C)=O)[C@@H]2Cc1c3[nH]c2ccccc12 5382393 WNCGZDXLEZTMEA-DELGFTFSSA-N 336.435 3.595 0 1 EHAF Cc1ccc2c(c1)-c1onc(C(=O)N3[C@@H](C)CCC[C@H]3C)c1CO2 9439936 ZUOMOUSYNRJUBC-BETUJISGSA-N 326.396 3.946 0 1 EHAF CC(=O)Nc1cccc(-c2cncc(NCc3cccc(F)c3)n2)c1 13679293 JHOWTFRMOUVWQN-UHFFFAOYSA-N 336.370 3.853 0 1 EHAF C[C@@H]1C(=O)C[C@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1 15193732 GJTVYZYQXAMSQY-PTLICHBZSA-N 328.408 3.707 0 1 EHAF biogenic C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]3CC[C@@]4(CCCO4)[C@]3(C)CC[C@H]12 26388092 PJPLXNAOJADMRD-VVIZTZINSA-N 329.484 3.833 0 1 EHAF CCCN(CC)[C@@H](C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1 27738903 FJGMITXSYCJCQR-INIZCTEOSA-N 342.483 3.580 0 1 EHAF O=C(O)C[C@H]1C[C@@H]1c1ccc(OCCCNc2ccccn2)cc1 28648077 JNJNTZUNBGRNAA-NVXWUHKLSA-N 326.396 3.541 0 1 EHAF C[C@@H]1SC2=N[C@H]3c4ccccc4CC[C@@H]3N2[C@@]1(O)c1ccccc1 28769195 GASCQHZZZZWUTG-RMXWXBJUSA-N 336.460 3.695 0 1 EHAF CCN(CC)CCCNc1c2ccccc2nc2c1c(C)nn2C 32239313 LYGQGBPQBFBMME-UHFFFAOYSA-N 325.460 3.574 0 1 EHAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CNCC2 36381551 BBMVEWGZHZDJKB-UHFFFAOYSA-N 329.450 3.629 0 1 EHAF CCOc1ccc(OCC)c(CCc2ccc(O)c(C(=O)OC)c2)c1 40975951 PNCKHQIJAXWWSS-UHFFFAOYSA-N 344.407 3.761 0 1 EHAF CC[C@@H](C)[C@@H](Cc1coc2nc(N)nc(N)c12)c1ccccc1OC 45350893 AYLKSELOGWVDPG-BXUZGUMPSA-N 340.427 3.768 0 1 EHAF C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 72135698 HABYHHAEXZCLGB-BATBZWGFSA-N 333.516 3.847 0 1 EHAF COc1ccc(CCC(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 103236403 RZROLGMBGCSWEZ-UHFFFAOYSA-N 335.407 3.705 0 1 EHAF N[C@@H]1Cc2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2C1 164978189 YGZVYIKJCPRANR-CYBMUJFWSA-N 348.427 3.541 0 1 EHAF CCOC(=O)C1=C(c2ccccc2)N=C(CC)[C@@H](C(=O)OCC)[C@@H]1C 169715636 LZBXZZZIZRFRAE-BBRMVZONSA-N 343.423 3.641 0 1 EHAF COC(=O)C1=C[C@]2(c3ccc(OC)cc3[C@@H](OC)[C@@H]2C)[C@H]2C=C[C@H]1C2 195344639 UTUGSVCJDIQAGE-KIUUWXQCSA-N 340.419 3.576 0 1 EHAF C[C@H]1CCN(C)CCN1C(=O)[C@H](Cc1ccccc1)c1ccccc1 254092999 KXJXNZBOUCKKFY-GHTZIAJQSA-N 336.479 3.566 0 1 EHAF O=C(O)CCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCO 535384802 YKIUQPPQZSVUED-OWUUJSQLSA-N 334.456 3.936 0 1 EHAF in-vitro CC(=O)c1ccc(-c2cccc(-c3nc4cc(=N)[nH]cc4[nH]3)c2)cc1 586881770 ZHIHLKDAVKIFMI-UHFFFAOYSA-N 328.375 3.907 0 1 EHAF COc1nccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587028989 CTNAESDTUINFMZ-UHFFFAOYSA-N 338.392 3.669 0 1 EHAF Cc1c(F)ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587041942 QJHBKWJJECSCOF-JKSUJKDBSA-N 327.428 3.957 0 1 EHAF CS(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587152782 QOPAWYBLFGBAPN-NEPJUHHUSA-N 348.374 3.516 0 1 EHAF CCN1C(=O)[C@@H](c2cc3c4c(cccc4n2)CC3)C(=O)c2ccccc21 587211656 HPNBEHOTDUNIFL-FQEVSTJZSA-N 342.398 3.666 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O)c1Br)O2 587376489 IVCMNUOEBGBSQI-CQSZACIVSA-N 348.196 3.752 0 1 EHAF CCOc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587397794 BAAWDUIQBPQHHE-QGZVFWFLSA-N 327.380 3.691 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCCc4ncc(Cl)cc41)[C@@H](C2)C3=O 587423569 VWKBBSCRGZLTJK-LIRRHRJNSA-N 341.794 3.723 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3nn(C)cc3c1)CC2=O 587475500 MOAVXEHYKPLDRE-IBGZPJMESA-N 336.391 3.938 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCN[C@@H]3CCCC[C@@H]31)CC2=O 587488113 YGQAWELXEGDEAX-RZQQEMMASA-N 329.440 3.601 0 1 EHAF N[C@@H](Cc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12)C(=O)O 587630720 BLFUXLPHRHDIDD-LBPRGKRZSA-N 332.762 3.582 0 1 EHAF Cc1noc(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587793102 JOOVOUYZQSGUPJ-NZFNHWASSA-N 339.208 3.817 0 1 EHAF CC(=O)C(C)(C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587809669 IYFQLLQQTBEKBY-JDNHERCYSA-N 342.252 3.953 0 1 EHAF COc1cc(C(=O)O)ccc1-n1nc2cc1Oc1ccc(F)cc1-2 587874582 FQSMBRWRAUCAIF-UHFFFAOYSA-N 326.283 3.491 0 1 EHAF CO[C@@]12OC(=O)C(C)=C1C=C1CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]1[C@H]2O 653808306 COANPWQVZJMCBO-JDYRRTIPSA-N 346.467 3.746 0 1 EHAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1NCCc2cccc(Cl)c21 963392423 ZSTQQMLUNQKMBH-ZBFHGGJFSA-N 336.863 3.926 0 1 EHAF COC(=O)[C@]1(C=C2c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@H]2C=CC[C@@H]21 1857622543 KKBJCVBSAUGNEH-ONTLCZMESA-N 328.383 3.912 0 1 EHAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccccc4)C[C@@H]3F)[nH]c2c1 2356299970 RHBKNBUEWYUFJY-QFBILLFUSA-N 339.414 3.610 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C=C(C)CC[C@]2(O)[C@H](C(C)C)CC(=O)[C@]12C 2356590272 IVSKJBHOJBAMEK-ZSXHRAQDSA-N 334.456 3.587 0 1 EHAF O=C(NC[C@H]1CCCO1)c1ccc(CSCc2cccc(F)c2)o1 3059424 XSTXRXKYECBZAA-OAHLLOKOSA-N 349.427 3.761 0 3 EHAF COc1ccccc1[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2CCCN21 8548269 YSPMFQJSWDVJME-WMZOPIPTSA-N 342.826 3.858 0 3 EHAF CC(C)(C)OC(=O)N[C@@H](/C=C/c1ccccc1)C(=O)OC(C)(C)C 36387564 YDZYITQVLYVRAJ-LHNRBYRGSA-N 333.428 3.935 0 3 EHAF c1cnc2nc(-c3ccsc3)c(Nc3ccc4c(c3)OCO4)n2c1 428782 ZZIJEEXPIRKIMJ-UHFFFAOYSA-N 336.376 3.930 0 1 EHAF COc1cccc(Oc2ncccc2C(=O)NCc2ccccc2)c1 13860724 KNHDISMMLBIKBQ-UHFFFAOYSA-N 334.375 3.813 0 1 EHAF NC1=Nc2ccccc2Sc2nnc(-c3ccc(Cl)cc3)n21 17255543 AKCWYYNYRGNFBJ-UHFFFAOYSA-N 327.800 3.558 0 1 EHAF CCc1c(Sc2cc(C)cc(C)c2)n(CC2CCC2)c(=O)[nH]c1=O 33982440 RQLJMFJBLWRMIZ-UHFFFAOYSA-N 344.480 3.667 0 1 EHAF COc1cccc(CN2C(=O)C(=O)c3c(Cl)ccc(Cl)c32)c1 40395686 NPOMIKJMXRXVAI-UHFFFAOYSA-N 336.174 3.732 0 1 EHAF Cc1cnc(N2CCSCC2)nc1N[C@@H](C)c1ccc(F)cc1 82202361 BTMIYXWLLQLLQL-ZDUSSCGKSA-N 332.448 3.650 0 1 EHAF CCCN(CC1CC1)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 82231796 BXIDXSGXCBIRET-UHFFFAOYSA-N 334.423 3.612 0 1 EHAF COc1cc(-c2ccc3ccn4ccnc4c3n2)cc(OC)c1OC 84596242 BKLDOGIRFAJXRB-UHFFFAOYSA-N 335.363 3.575 0 1 EHAF COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3)n2)c1 95593476 WMZQATIJDWATFY-UHFFFAOYSA-N 349.390 3.786 0 1 EHAF COc1ccc(/C=C\c2c(CCN(C)C)ccc(OC)c2O)cc1 95912776 GVZVHYFESLXAML-XFFZJAGNSA-N 327.424 3.684 0 1 EHAF biogenic,in-vitro CCCCC[C@@H]1/C=C\[C@@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O1 100759094 PAPRKPWTFGPHGR-QHKNBTGTSA-N 336.472 3.955 0 1 EHAF CO[C@@H](C(=O)N(C)C)c1cccc(COc2cc(C)ccc2C)c1 103177364 RWPCPPRBMBKCNC-LJQANCHMSA-N 327.424 3.658 0 1 EHAF CCOC(=O)/N=c1/sc(C)cn1-c1cccc(C(F)(F)F)c1 103293645 FJZRXVIPEJNNNZ-LDADJPATSA-N 330.331 3.923 0 1 EHAF CC(C)Oc1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1 116195208 OOZUHXDNVHWMQK-GOSISDBHSA-N 336.395 3.621 0 1 EHAF C[C@H]1CCN1C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144705759 FIERJLCQXGOLMV-VOJFVSQTSA-N 347.336 3.700 0 1 EHAF O[C@]1(C(F)(F)F)c2ccccc2-c2c(-c3cncnc3)cccc21 144792107 ZNLJDCWSBWFFTI-QGZVFWFLSA-N 328.293 3.922 0 1 EHAF C[C@H](c1cccc(C(F)(F)F)c1)[S@@](=O)c1ccc(C(=O)O)nc1 169337693 RAFHDDVDIRXOMJ-XQHREBAHSA-N 343.326 3.667 0 1 EHAF C[C@H]1CCCN(c2ncnc3[nH]cc(-c4cnc5[nH]ccc5c4)c23)C1 224886939 AJXZFJQZUDXGFM-LBPRGKRZSA-N 332.411 3.738 0 1 EHAF Cc1cccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc12 586950124 AZQUHHSKEWFMPO-UHFFFAOYSA-N 329.425 3.688 0 1 EHAF COc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587007331 HNZBFPRJATUISV-UHFFFAOYSA-N 343.184 3.649 0 1 EHAF CCOC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099318 YUDLPJWCLXQSHG-UHFFFAOYSA-N 331.371 3.860 0 1 EHAF Oc1nc2cc3nc([C@@H]4C[C@H]4c4cccc(F)c4F)[nH]c3cc2[nH]1 587151469 HZJBARNEPMKZCP-DTWKUNHWSA-N 326.306 3.694 0 1 EHAF Fc1cc(-c2nc3cnc4ccccc4c3[nH]2)cc(N2CCCC2)n1 587177245 FAXNCQKSTYRFLB-UHFFFAOYSA-N 333.370 3.912 0 1 EHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc(O)c3[nH]2)c1 587242350 TWHXRRRGIPOOHI-UHFFFAOYSA-N 341.367 3.988 0 1 EHAF Cc1cnc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587379117 ZSBFYPDDKXAVEQ-CQSZACIVSA-N 347.212 3.750 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnn(CC(C)C)c1)(C(F)F)O2 587382248 LATNPIBMULLHLD-SFHVURJKSA-N 349.381 3.556 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)c(-c4ccccc4)n1)[C@@H](C2)C3=O 587430963 LHDHNKDAFCZJNI-MGPUTAFESA-N 346.386 3.584 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1C1CC1)CC2=O 587476101 PAWLWKGLOIUNHG-KRWDZBQOSA-N 326.396 3.662 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1[C@H](C(=O)OCC)C1(C)C)CC2=O 587485334 VJQBDVNCDKEKQC-GVDBMIGSSA-N 346.423 3.514 0 1 EHAF CO[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587812446 QUXYGDPWENEEMF-GTTSAUCSSA-N 342.252 3.907 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC[C@H]2CCOC2)N1 587834641 LVIAXLUFFRTXFH-SUNKGSAMSA-N 342.252 3.980 0 1 EHAF Cc1cc(Br)c2[nH]c(CC(C)(C)CC(=O)O)nc2c1 587955841 QSAKPWSNBYQSCN-UHFFFAOYSA-N 325.206 3.677 0 1 EHAF O=C(COc1cc(=O)oc2ccccc12)Nc1ccc2ccccc2c1 653799970 OZIJOCPMFKGOQT-UHFFFAOYSA-N 345.354 3.964 0 1 EHAF CCOC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 653823897 ZGNROOOFYPKLJH-OAGGEKHMSA-N 330.405 3.532 0 1 EHAF CCO[C@@H](C)n1nccc1[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963117441 DZGNCUJEKNGLPU-MGPLVRAMSA-N 340.254 3.980 0 1 EHAF C[C@H](Oc1cc(-c2cn[nH]c2)cnc1N)c1cc(F)ccc1Cl 1857599553 VPUZUVOAKUROBZ-VIFPVBQESA-N 332.766 3.986 0 1 EHAF O=c1cccccc1NCCCCCCCNc1cccccc1=O 1613633 GVFCKYHCSZYSGV-UHFFFAOYSA-N 338.451 3.882 0 3 EHAF COc1ccc(NC(=O)[C@@]2(C)CCN2CC2CCCCC2)cc1OC 61903294 GSSUABVUUVKRJR-HXUWFJFHSA-N 346.471 3.687 0 3 EHAF C[C@H]1CN2CCN(c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 52971540 SQRKIMSOSQTNKG-UCNVEGJOSA-N 336.479 3.881 0 1 EHAF CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)C2=O 66101250 VUAJCLNFGUYDIL-UWVAXJGDSA-N 328.408 3.701 0 1 EHAF in-vitro CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4OC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]12C 2356487060 NJHXENDODLZLSB-GJTYRDJPSA-N 332.440 3.642 0 1 EHAF O=C(O)CCNC/C=C/c1ccc(OCCCc2ccccc2)cc1 66074497 BEUKFQKPJYSMAR-XBXARRHUSA-N 339.435 3.776 0 1 EHAF C=C[C@]1(C)CC[C@]2(O[C@H](CC(C)=O)[C@]3(O)C(C)(C)CCC[C@]23C)O1 15267391 JZZGZPDAPNARSZ-XLSIIYIISA-N 336.472 3.763 0 1 EHAF biogenic Cc1cc(=O)oc2cc(N3C(=O)CS[C@H]3c3ccccc3)ccc12 49723132 BJZPUUVDOKCOAI-IBGZPJMESA-N 337.400 3.880 0 1 EHAF CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@]1(C)c1ccc(C)cc1 49113192 NXXILQHZQOOQFC-GOSISDBHSA-N 343.452 3.988 0 1 EHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](O)(C1CCCCC1)C(=O)N2 220520729 DJHFENWCGFCQSD-LJQANCHMSA-N 326.396 3.678 0 1 EHAF CCCN(CC1CC1)c1cc(Oc2cc(OC)cc(OC)c2)ncn1 82067729 JYBJHSLQXPIXSR-UHFFFAOYSA-N 343.427 3.913 0 1 EHAF Cc1noc(-c2ccc(OCc3c(-c4ccccc4)noc3C)nc2)n1 141352092 CNCJROICTJZDEO-UHFFFAOYSA-N 348.362 3.982 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cccc(OC(F)F)c1)[C@@H](C2)C3=O 587424518 ZMXJSMZDCUJGBK-IFXJQAMLSA-N 346.329 3.959 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](c3ncccc3O)C1)O2 587393936 OKBZTEJNLVMUFI-RBZFPXEDSA-N 338.407 3.740 0 1 EHAF Cc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587856729 XOWNGUOCYSDMPZ-WJWGPLDTSA-N 341.249 3.977 0 1 EHAF COc1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2c1 587950398 LHSDFPHAJQSZGY-RCRDTURJSA-N 340.423 3.725 0 1 EHAF CC[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352786 XOWWZMWBIBYXPH-MJGOQNOKSA-N 330.355 3.685 0 1 EHAF CCOC(=O)c1ccc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2c1 586918785 UJKHBOMACLXFCU-UHFFFAOYSA-N 334.331 3.513 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1ccco1 587870344 FGHSLPCMWKVUNQ-UHFFFAOYSA-N 328.343 3.954 0 1 EHAF Cc1[nH]c2c(C)cc(Cl)cc2c1-n1c(=O)oc(=O)c2ccccc21 587625983 AUYKNFPTXVKDBD-UHFFFAOYSA-N 340.766 3.695 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@@H]2C)N1 587818320 QLEIOQHNSLISNU-KCWFYHRYSA-N 340.236 3.707 0 1 EHAF O=C(c1cc2c(s1)CCCC2)n1ncc2ccc(Cl)cc2c1=O 587653822 MFMGLGAZGWGNNH-UHFFFAOYSA-N 344.823 3.679 0 1 EHAF C[C@@H]1C[C@@]2(CN1C1CC1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962713508 SCNGCNLEXAXZJT-AKCHCHLHSA-N 346.515 3.641 0 1 EHAF Fc1ccccc1-c1cnn2c(NCCc3ccccn3)ccnc12 141309459 AHTKZYHOZQRCKG-UHFFFAOYSA-N 333.370 3.585 0 1 EHAF O=c1cc(-c2cccc(C(F)(F)F)c2)[nH]c2cc3c(cc12)OCO3 5580614 CVUVXQOSMQTCRB-UHFFFAOYSA-N 333.265 3.943 0 1 EHAF COc1ccc(-c2c(C)nn3c(NC4CC4)cc(C)nc23)cc1OC 5058901 TVIUBEVVSQZJPB-UHFFFAOYSA-N 338.411 3.605 0 1 EHAF COc1ccc(C2=NNC(=O)[C@@H]3CCCC[C@@H]23)cc1OC1CCCC1 13474136 VVVNSVYXTOMPJW-HZPDHXFCSA-N 342.439 3.657 0 1 EHAF CN(CCc1ccccn1)c1cc(O)n(-c2ccc(Cl)cc2)c1O 169691777 XVTDDHUZSCBUTA-UHFFFAOYSA-N 343.814 3.616 0 1 EHAF COCCCNC(=O)N[C@H](C)c1c(-n2cccc2)sc(C)c1C 6750425 XLKBJBIROWDKQS-CYBMUJFWSA-N 335.473 3.552 0 1 EHAF COc1ccc2c(c1)CNc1c(NCc3ccccc3)ncnc1O2 28572344 GTJIBRAODDVZRM-UHFFFAOYSA-N 334.379 3.815 0 1 EHAF Cc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1O 114337493 FUXNTHGNLGWQIQ-GOSISDBHSA-N 336.439 3.653 0 1 EHAF CCCCC(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C 66259779 CSRFJBSEOYJEEA-INIZCTEOSA-N 330.380 3.609 0 1 EHAF N[C@H](CCSCc1ccc(Cl)c(Cl)c1Cl)C(=O)O 28570308 FTFTWVIFFSIXMK-MRVPVSSYSA-N 328.648 3.682 0 1 EHAF COC(=O)C[C@]1(C)CCC[C@]2(C)[C@@H]3Cc4occc4C[C@@H]3CC[C@]12O 2356713765 RJICMYVKEJSBBD-BLMGWGJXSA-N 346.467 3.895 0 1 EHAF CC1(C)CCC[C@]2(C)[C@H]1CC=C(C1OCCCO1)[C@]21COC(=O)O1 2356744067 ADYKSSXMRVBPFN-GDIGMMSISA-N 336.428 3.818 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)N[C@@]4(C)CC[C@@H]32)C1 71334623 BMRATVBKWIJONH-QWSDNZPMSA-N 345.483 3.750 0 1 EHAF COc1ccc2nc(-c3ccc(Cl)cc3)c(O)c(C(=O)O)c2c1 35086999 QCQPLDSTABRHBX-UHFFFAOYSA-N 329.739 3.968 0 1 EHAF CCCCC/C=C\C[C@H](O)[C@H](O)/C=C/[C@H]1C[C@@H]1[C@H]1CCCC(=O)O1 38883700 GUCRVQJMZMFWEY-VBBTXEEJSA-N 336.472 3.523 0 1 EHAF Cc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2 40919292 YTTPBZOWLZFAGN-MRXNPFEDSA-N 333.391 3.575 0 1 EHAF COC(=O)[C@H]1[C@@H](c2cccc(-c3cccn3C)c2)C[C@@H]2CC[C@H]1O2 84616954 HYHKAAKSUZBYDJ-ISARSNTHSA-N 325.408 3.516 0 1 EHAF CCc1c(C)sc2[nH]c(=S)n(CCCn3cnc(C)c3)c(=O)c12 138362098 QQTKYDPTXNKNOO-UHFFFAOYSA-N 348.497 3.587 0 1 EHAF CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2N)cc1 84704229 IWZBLJMOBBFYCP-UHFFFAOYSA-N 327.453 3.693 0 1 EHAF CC(C)Cc1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231705 HYWPZZZGGWIZLQ-YOEHRIQHSA-N 340.471 3.676 0 1 EHAF S=c1oc(-c2ccc3c(c2)OCCO3)nn1CNC1CCCCC1 96935210 YYURDIUXGRMNDO-UHFFFAOYSA-N 347.440 3.524 0 1 EHAF O=C1N[C@@H](c2ccccc2OCc2ccccc2)Nc2ncccc21 473089365 LFZMXIWHCDUPBS-IBGZPJMESA-N 331.375 3.515 0 1 EHAF Cn1ccc([C@@H]2CC(O)=C(Sc3ccccc3Cl)C(=O)O2)n1 299838385 QHPANKXLSBAXCF-LBPRGKRZSA-N 336.800 3.623 0 1 EHAF Cc1ccc2c3c(c4c(nc13)CC[C@H](CO)C4)-c1ccccc1C2=O 587100715 FNEKBWDXCCAZFE-ZDUSSCGKSA-N 329.399 3.852 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc(C)nc1Cl)O2 587380238 RFGQMFXBGMRFCG-NSHDSACASA-N 338.194 3.689 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOCC2)N1 587837171 ZWYHZLRIHVQCLE-BMIGLBTASA-N 328.225 3.518 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1nc2ccccc2[nH]c1=S 587653979 FYTJIBNPXAQDHJ-UHFFFAOYSA-N 340.795 3.645 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)cn1)CC2=O 587489723 VTIBNGBZVFSEHZ-SFHVURJKSA-N 327.380 3.845 0 1 EHAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)n1 587518706 NTEJOYPTOUIGPG-KRWDZBQOSA-N 339.391 3.684 0 1 EHAF Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C 587791790 NCNKILFVXAJDFI-UOWDBTKRSA-N 338.224 3.552 0 1 EHAF Cn1cc(Cl)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587500364 OFXHMWZUOYIVTJ-SFHVURJKSA-N 330.815 3.833 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccnc(Cl)n1)CC2=O 587458660 AEAYMRXTZWUSCL-QGZVFWFLSA-N 332.787 3.669 0 1 EHAF COc1cccc(N2C[C@@H](C(=O)c3coc4ccccc34)CC2=O)c1 587281107 VUCCKLAHABWLCI-ZDUSSCGKSA-N 335.359 3.677 0 1 EHAF COc1cc(C)c(N)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1 587250447 OZIIAAAATMGFPL-UHFFFAOYSA-N 348.200 3.597 0 1 EHAF Cc1ccc2c(n1)NCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521180 AREAFVQIKNXTFV-OAQYLSRUSA-N 334.419 3.945 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccns1 587616524 DICSMOAZKLXVMQ-YOEHRIQHSA-N 325.345 3.552 0 1 EHAF C[C@@H](O)CCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587834052 QLQJRFMOLSRTNE-FCHSOHFDSA-N 330.241 3.715 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncc(F)c1 587572267 USZBLZWBLJCKKW-APWZRJJASA-N 337.306 3.629 0 1 EHAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cnncc3[nH]2)cc1 586878927 FQPJHSUPSWBAQV-UHFFFAOYSA-N 330.347 3.694 0 1 EHAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2c(Br)cnc(Cl)c2[nH]1 587963773 STEIWSSQQLGQDM-NKWVEPMBSA-N 342.624 3.532 0 1 EHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 587784424 GYJVFEQPRPCIOY-GHMZBOCLSA-N 345.761 3.694 0 1 EHAF CC(=O)[C@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587811480 GLQSIKGOMRPFGP-HWPZZCPQSA-N 342.252 3.953 0 1 EHAF CSc1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587119466 XZIPCRXFYGHVQA-UHFFFAOYSA-N 326.347 3.743 0 1 EHAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)on1 587790378 BQRANTSETRZQRZ-ANRSDYALSA-N 339.208 3.682 0 1 EHAF CCSc1ccc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963033126 PTDWAXDUWVWCDY-VBKZILBWSA-N 338.476 3.941 0 1 EHAF C[S@](=O)/C=C/CCNC(=S)SCc1ccc(Cl)cc1 1857764725 JHQPUQAFVCWAMK-VZJZHNIPSA-N 333.931 3.730 0 1 EHAF Cc1cccc(-c2cc(=O)c(C(=O)O)cn2-c2ccc(F)cc2F)c1 13879123 LJROXEWCJRLDLP-UHFFFAOYSA-N 341.313 3.789 0 3 EHAF COc1cc([C@H]2Oc3c(OC)cc(CC(C)=O)cc3[C@@H]2C)ccc1O 14584497 JSZPLRAHDGBRIJ-BUXKBTBVSA-N 342.391 3.778 0 1 EHAF biogenic CCCCCCNC(=N)NC(=N)Nc1ccc(C(F)(F)F)cc1 169337206 CFNUYLRZXJEETP-UHFFFAOYSA-N 329.370 3.746 0 1 EHAF Cc1cc(C)cc(Cn2c(O)c(Cc3c[nH]c4ccccc34)oc2=O)c1 169713920 VVMZNKYRKWPWCN-UHFFFAOYSA-N 348.402 3.884 0 1 EHAF CCC(=O)Nc1ccc2[nH]nc(-c3ccc4c(ccn4CCO)c3)c2c1 1857573230 DWPQWXMRDMWQIN-UHFFFAOYSA-N 348.406 3.525 0 1 EHAF CCOC1(OCC)[C@H]2c3c(O)cccc3[C@@H]([n+]3ccccc32)C1(C)C 100714998 NFUOQTJOVHTHFE-RTBURBONSA-O 340.443 3.524 0 1 EHAF COc1cccc(Nc2nc([C@H](N)Cc3ccc(F)cc3)cs2)n1 61930397 TXCPZCUGFOQEKI-CYBMUJFWSA-N 344.415 3.672 0 3 EHAF COc1cc2sc(-c3c(-c4ccco4)n[nH]c3N)nc2cc1F 114400309 DMBRXIUZLCCHIY-UHFFFAOYSA-N 330.344 3.676 0 1 EHAF Cc1cc(=O)c2c(o1)O[C@]1(C)[C@H](CC[C@@H]3C(C)(C)[C@H](O)CC[C@]31C)C2 2356669215 RCJJNXSFMKDPPQ-GNPZUCITSA-N 346.467 3.855 0 1 EHAF CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1cccc(OC(C)C)c1 61930582 LPZMSXRMFFOHFM-LJQANCHMSA-N 332.444 3.594 0 3 EHAF CC[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@@H](O)CC[C@H](C)[C@@]12C 40862048 IAWIPMBPDIXBBM-NYKQURONSA-N 348.439 3.828 0 1 EHAF COc1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cnc2N)cn1 95572240 GXOKGTYDFIBJNC-UHFFFAOYSA-N 343.390 3.587 0 1 EHAF CC(C)=CCc1ccc(O)c(C(=O)c2c(O)cc(C)cc2C=O)c1O 143199958 KGZNOUBMMQKVJS-UHFFFAOYSA-N 340.375 3.664 0 1 EHAF Cc1cc(C)c2c(OCCOC(=O)Nc3ccccc3)nsc2n1 96913309 JUGODKRFWVHPOB-UHFFFAOYSA-N 343.408 3.936 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H]([C@H](OC)c1cncs1)CC2=O 587496710 STGQQTNYAHGQFG-PBHICJAKSA-N 333.409 3.523 0 1 EHAF Fc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c(F)c1F 587075401 HSXVAHVPTQZOKW-UHFFFAOYSA-N 349.703 3.881 0 1 EHAF COc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1F 587156789 QBBNJSLIWJRQSP-GOSISDBHSA-N 343.333 3.641 0 1 EHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1cccc(Cl)c1 587648616 CNTUZTFDKHGJSX-UHFFFAOYSA-N 347.823 3.764 0 1 EHAF Fc1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)cc(N2CCCC2)n1 587177638 RMCJLIFJNMMVLL-UHFFFAOYSA-N 335.745 3.552 0 1 EHAF COc1ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2n1 587135915 IESSJGFYPLJSII-UHFFFAOYSA-N 330.363 3.532 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(C)c(C=O)n4ccccc14)[C@@H](C2)C3=O 587435768 JVVXALWFVYFPBL-QKKBWIMNSA-N 347.370 3.558 0 1 EHAF O=[S@](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)CC1CC1 586958757 ILSNKALBICBHTP-NRFANRHFSA-N 334.388 3.834 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc4cccc(F)c4n1)[C@@H](C2)C3=O 587429003 SDUGMOOSOWUKJC-RNODOKPDSA-N 335.334 3.871 0 1 EHAF Cc1c(Br)cc2nc(-c3c(N)cccc3O)[nH]c2c1C 587250407 OIGXSXMKUAAARR-UHFFFAOYSA-N 332.201 3.897 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cn3c(n2)CCCC3)N1 962952838 WAJNKKRGMSGTGD-SPLOXXLWSA-N 334.467 3.889 0 1 EHAF CC[C@@]1(c2ccc(CN)cc2)NCCc2cnc3c(OC)cccc3c21 963036916 PPBSYEPOEKZQFZ-QFIPXVFZSA-N 347.462 3.501 0 1 EHAF Cc1nn(-c2ccccc2)c2c1N=C(C(=O)O)CC(c1ccccc1)=N2 5940518 WIPBGLBPKDWPCY-UHFFFAOYSA-N 344.374 3.862 0 1 EHAF CC[C@H]1CN2CCc3c([nH]c4cc(OC)ccc34)[C@@H]2C[C@@H]1CCO 13459096 CAPOXAFTSMHBKG-NJSLBKSFSA-N 328.456 3.504 0 1 EHAF CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1 13680775 GWFWUVLSFKBNLH-UHFFFAOYSA-N 336.420 3.700 0 1 EHAF CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@H](C(=O)O)[C@@H](C)N=C(N1)N23 165713953 AQRHDCLNKZPZEH-DFBDCSAJSA-N 349.519 3.781 0 1 EHAF CC(C)Oc1cccc(-c2c[nH]c3ccc(-c4noc(N)n4)cc23)n1 204773619 IVGLUWWICIQZOH-UHFFFAOYSA-N 335.367 3.649 0 1 EHAF Cc1cc(-n2ccnc2)ccc1-c1ccc(-c2nn[nH]n2)cc1Cl 1857775052 QFCYUYNLMBHPKB-UHFFFAOYSA-N 336.786 3.681 0 1 EHAF Cc1nc2c3c(c(C4=NCCO4)cn2c1C)CC[C@@H](c1ccccc1)O3 28867306 FHUKUZLISTZZHW-SFHVURJKSA-N 347.418 3.794 0 1 EHAF CCNC(=O)CO[C@H]1CC(c2ccccc2)=Nc2cccc(CC)c21 26666539 FAQVSTCNASPAKL-IBGZPJMESA-N 336.435 3.967 0 1 EHAF Cc1cc(C[C@@H](N)C(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 27647569 QHHWMOKQVCJRPS-QGZVFWFLSA-N 343.423 3.879 0 1 EHAF Cc1c(N(CCC(F)(F)F)S(C)(=O)=O)sc2ccccc12 115233627 JCYGWTFNVMGIMO-UHFFFAOYSA-N 337.388 3.928 0 1 EHAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)[C@H](O)c2c(C)coc2C1 2356680572 MDOFFBZEZOKVIK-CWYSQHEVSA-N 334.456 3.839 0 1 EHAF CC/C=C\C/C=C\C[C@@H]1OC(=O)CCC/C=C\C[C@H](O)/C=C/[C@H]1O 238749739 STBQZNSMPFUZOI-OYAGULCTSA-N 334.456 3.609 0 1 EHAF Fc1cc(F)cc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)c1 96271411 OTEGAEZJYWGAMW-UHFFFAOYSA-N 341.317 3.763 0 1 EHAF Cc1cc(C(=O)Nc2cccc([C@]3(C)CCSC(N)=N3)c2)c(C)o1 146711753 AFVVAWRGFVCRMO-SFHVURJKSA-N 343.452 3.816 0 1 EHAF O=C(Nc1ccccc1Br)n1sc2ccccc2c1=O 96271390 AMZPKQVABXOTRQ-UHFFFAOYSA-N 349.209 3.906 0 1 EHAF O=C1CCOc2cc(OCc3cccc(Br)c3)ccc21 653808041 FPJNTKXBZPFLAK-UHFFFAOYSA-N 333.181 3.993 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)cnc1OC)CC2=O 587490547 YBZXRSOQRFBYJL-FQEVSTJZSA-N 341.407 3.937 0 1 EHAF N=c1[nH]c(-c2cccc(-c3nc4cc(Cl)cnc4[nH]3)c2)cs1 587021027 GTBMMCAYSKIXKV-UHFFFAOYSA-N 327.800 3.814 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCN(C)[C@H]3CCC[C@H]31)CC2=O 587489095 RXOAMYRPZCLDNS-GQIGUUNPSA-N 329.440 3.553 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccs2)N1 587854590 RBUXBYGDDSUYRO-JMCQJSRRSA-N 327.222 3.668 0 1 EHAF CCc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454575 UPMSTAIMQFXINR-IIBYNOLFSA-N 336.387 3.683 0 1 EHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1O 587376810 UBVUJTKHCKLDBJ-CQSZACIVSA-N 333.771 3.651 0 1 EHAF CCO/C=C(\C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598721 UUDCJQJGBLBYQV-SBGWCXSDSA-N 326.348 3.663 0 1 EHAF COc1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1OC 587137988 AQKJVTMUTRLXLE-UHFFFAOYSA-N 336.313 3.783 0 1 EHAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587930761 POTDZUTZWNIYBY-FMEYXAORSA-N 336.395 3.740 0 1 EHAF CC(C)COC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521037 HTAVSSSILLVDPT-HXUWFJFHSA-N 330.424 3.879 0 1 EHAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587775059 YMGKWYFAKJHIBY-QFYYESIMSA-N 335.220 3.915 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)OC 587863866 CGXIHWFBLKKXTP-SNVBAGLBSA-N 342.317 3.643 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCN(C)CC2)N1 587770215 RFNSKKXVRVKUJZ-QFYYESIMSA-N 341.268 3.505 0 1 EHAF Cc1ccc2ccccc2c1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586884832 ZLFUATZIZZLAOM-UHFFFAOYSA-N 338.388 3.938 0 1 EHAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587196749 YMOSZUNJFKLHEV-SECBINFHSA-N 335.333 3.541 0 1 EHAF COc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1C 587070625 TYHCZAOPDQLFFW-ZDUSSCGKSA-N 329.831 3.818 0 1 EHAF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@@H](C)O)CC2=O 587493872 IGEWJTHFBITVCA-ZMZPIMSZSA-N 332.421 3.648 0 1 EHAF O=C(O)c1ccc([C@@]2(c3ccccc3)NCCc3ccc(O)cc32)cc1 963340757 HVZCITOTJFQSOG-JOCHJYFZSA-N 345.398 3.528 0 1 EHAF C=CC(=O)NC(C)(C)C[C@@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963102151 KHZLFSMXBAUQMI-JXFKEZNVSA-N 330.447 3.532 0 1 EHAF COC(=O)c1cc(C)ccc1[C@@H]1CN=N[C@]12Cc1ccc(C)cc1C2=O 5539798 MHBBUIFYOBDBRL-GHTZIAJQSA-N 348.402 3.817 0 1 EHAF O=C1Cc2ccccc2N1C1CCN([C@@H]2CCc3ccccc3C2)CC1 13561278 MGIADQYKMHMDKW-OAQYLSRUSA-N 346.474 3.598 0 1 EHAF CCCCC[C@](C)(O)CCCN(CCCCCCC(=O)O)C(C)=O 169334148 DHWZBERWTDERPP-IBGZPJMESA-N 343.508 3.982 0 1 EHAF Cc1cccc(CN=c2[nH]c3cnc(-c4ccccc4)cc3n2C)c1 1857617870 GMQPGPQTNJKQMU-UHFFFAOYSA-N 328.419 3.978 0 1 EHAF CCCc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1OC 2356416986 MOQVDNNZKAXGQZ-QGZVFWFLSA-N 328.364 3.765 0 1 EHAF Cc1nc(C(=O)NC23C[C@@H]4CC2C[C@H](C4)C3)c(C)n1-c1ccccc1 101393835 GGUIFPPTHFTTLY-BVRFTUQKSA-N 335.451 3.798 0 1 EHAF C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3c(O)ccc4ccccc34)CCN12 26279027 GYGWBIPHAOYNEY-HYVNUMGLSA-N 338.451 3.681 0 1 EHAF Cc1c(-c2cccs2)nc(OC[C@@H](C)N)nc1-c1cccs1 28524319 INJNHDAWCLCHBW-SNVBAGLBSA-N 331.466 3.968 0 1 EHAF Oc1cccc(C[C@H](c2ccccc2)N2CCN(CC3CC3)CC2)c1 29477126 HVNYMSXCSLUUOV-JOCHJYFZSA-N 336.479 3.704 0 1 EHAF CN1[C@H]2CC[C@@H]1[C@H]([C@@H](O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 28762758 FSULAQVXMVICFX-NJVJYBDUSA-N 333.781 3.830 0 1 EHAF Nc1cccc(-c2csc(NC(=O)CCCCCCC(=O)O)n2)c1 66251105 SECJGWLVHSDCNI-UHFFFAOYSA-N 347.440 3.756 0 1 EHAF COc1cc(C)c2nc3[nH]nc(C)c3c(NCC3CCOCC3)c2c1 73196880 VFFZRVLFFCXMEW-UHFFFAOYSA-N 340.427 3.575 0 1 EHAF C[C@@H]1C(=O)O[C@@H]2OC(=O)[C@@H]3CCC([C@@]4(C)CCCC(C)(C)C4)=C1[C@@H]23 14918848 CITWWGQNJPHWFE-PHRCSFSESA-N 332.440 3.992 0 1 EHAF biogenic COc1ccc(CCNC(=O)CCc2ncc(C(C)(C)C)s2)cc1 72179131 NFEYLHWHQNAXFF-UHFFFAOYSA-N 346.496 3.741 0 1 EHAF Cc1ccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 72122745 KFELQHRSEJMEEJ-UHFFFAOYSA-N 347.466 3.722 0 1 EHAF CCCCNc1ncc(C(=O)N2CCCC2)c(-c2ccccc2F)n1 82151425 XLMAOGGZHUKDBS-UHFFFAOYSA-N 342.418 3.731 0 1 EHAF COc1ccc2cc(C3=[N+]([O-])c4ccccc4C3=O)cc(OC)c2c1 45257085 JNSHUCYGOPGUDH-UHFFFAOYSA-N 333.343 3.684 0 1 EHAF CCc1c(Oc2cc(C)cc(C)c2)n(CC2CCCC2)c(=O)[nH]c1=O 43022319 JXFZCVFDARIQRL-UHFFFAOYSA-N 342.439 3.698 0 1 EHAF CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccn[nH]1 45291673 WECTZTUUKXNETR-ZDUSSCGKSA-N 347.893 3.580 0 1 EHAF C[C@@]1(O)OC[C@@]23CC[C@@H]4[C@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@H]2CC[C@H]31 253706483 RVRUDXHMJRUDLB-OKXBOQJJSA-N 332.484 3.645 0 1 EHAF NC(=O)c1cccc(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)n1 254135306 ZDHOTOWEQKLEGE-HDJSIYSDSA-N 338.407 3.596 0 1 EHAF CC(=O)c1ccccc1OCc1ccc2c(c1)[N+](=O)C(C)(C)N2O 377466630 ISIXMSTURGGRMJ-UHFFFAOYSA-N 327.360 3.824 0 1 EHAF CCc1ccc(C(=O)CCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 587957151 QYYSGKGHHYORJS-IBGZPJMESA-N 336.395 3.665 0 1 EHAF Clc1ccccc1OCc1ccc(-c2nc3ncc[nH]c-3n2)o1 587065331 XWHZKQJXVSRYJZ-UHFFFAOYSA-N 326.743 3.797 0 1 EHAF O=C(O)c1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1F 587032048 GBDNGWXVKUYYKV-UHFFFAOYSA-N 328.324 3.988 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(O)cc31)CC2=O 587493232 UDBZGUIIYLCOAJ-HXUWFJFHSA-N 340.375 3.694 0 1 EHAF Nc1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n[nH]c2c1 587528297 YTRVSNKCWKVSME-GOSISDBHSA-N 333.391 3.730 0 1 EHAF O=C(O)CCC(=O)Nc1c(-c2ccccc2)[nH]c2cc(F)ccc12 587635762 REZGDRDTCCJYEV-UHFFFAOYSA-N 326.327 3.777 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCOc4cc(C)cc(C)c41)[C@@H](C2)C3=O 587454715 WCHISROGYCSHCE-BTYIYWSLSA-N 336.387 3.737 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CSCc3c(F)cccc31)O2 587385535 DJXINCLHUSXLIG-SFHVURJKSA-N 329.396 3.824 0 1 EHAF Cc1ccc2c3c(c4c(nc13)C[C@@H](CC(=O)O)C4)-c1ccccc1C2=O 587101429 SUAVHLYPFFPSNR-LBPRGKRZSA-N 343.382 3.944 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ncccc32)N1 587778626 NMTNYOFMGINWAH-BTDLBPIBSA-N 347.231 3.707 0 1 EHAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3ncc(F)cc3[nH]2)s1 587023443 PYPLHPTWSKFDHE-UHFFFAOYSA-N 335.364 3.568 0 1 EHAF CCOC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587523276 HGBCNJMCVIXBQT-GOSISDBHSA-N 339.391 3.777 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccnc1Br)O2 587373015 OWGLPZJDKCBRJU-MRXNPFEDSA-N 347.212 3.615 0 1 EHAF C/C=C(/NOCC)C1C(=O)CC(c2c(C)cc(C)cc2C)CC1=O 957684345 ACQFBPOGSZSBSR-OMCISZLKSA-N 329.440 3.689 0 1 EHAF CC1(C)CCC[C@@]12N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962708831 KYAVXWSFFFJWGD-BBRMVZONSA-N 345.336 3.849 0 1 EHAF Cn1c(Cl)nc(Cl)c1[C@@H]1c2c(F)cccc2C[C@H]2CCCN12 963105171 VDMKGZYTGDGIPN-MFKMUULPSA-N 340.229 3.976 0 1 EHAF COc1ccc([C@H](c2cc3ccc(OC)cc3o2)n2cncn2)cc1 13680626 VUWROJIVKURNQN-LJQANCHMSA-N 335.363 3.679 0 1 EHAF O=C1CCC[C@H]2C[C@H](NCc3ccc(F)cc3F)CC[C@]23CCCN13 205705969 ZJUJIAWCSKSOKM-XAUMDUMWSA-N 348.437 3.768 0 3 EHAF COc1cc2c(cc1N)CC[C@H]1C(C)(C)c3nc(C)ncc3C[C@]21C 1857606180 OBPITWSCEMOCBI-GHTZIAJQSA-N 337.467 3.730 0 1 EHAF NCCSc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O 3814473 GJWREBSBNVGINK-UHFFFAOYSA-N 327.384 3.591 0 1 EHAF COc1cc(C=CCO)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@H]2C 2356392763 OGQCHHKOBZTHRP-BUXKBTBVSA-N 340.375 3.667 0 1 EHAF COC(=O)C1=C(c2cccc(-c3nccs3)c2)C[C@@H]2CC[C@@H]1O2 101501235 DWPZMURPWZHSTE-ZFWWWQNUSA-N 327.405 3.688 0 1 EHAF Cc1ccc(-c2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)cc2)o1 102605271 FKSLNBYCLBTOCK-KNCCTNLNSA-N 337.375 3.716 0 1 EHAF COC(=O)c1cccc([C@@H]2[C@H](C)N=CN2Nc2cccc(Cl)c2)c1 29327291 OHGGTSHOCBRKHO-SJCJKPOMSA-N 343.814 3.927 0 1 EHAF CC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118932671 CIUZTBJZAMUYJU-GMMUJKBGSA-N 334.500 3.710 0 1 EHAF C[C@]12CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]1CC[C@](C)(C(=O)O)O2 2356562689 AFCHCPCDNUGZTB-GLKQISNASA-N 338.444 3.706 0 1 EHAF O[C@@]1(Cc2ccc(Cl)cc2Cl)c2ccccc2C2=NCCCN21 34821436 QJKYNRVTOMYEGT-SFHVURJKSA-N 347.245 3.847 0 1 EHAF CCCN1CCC(c2cccc(S(=O)(=O)C3CCCC3)c2)CC1 95589519 YICMRDZOCUCKAX-UHFFFAOYSA-N 335.513 3.992 0 1 EHAF C[C@H](Nc1nccc(N2C(=O)OCC23CCCC3)n1)c1ccccc1 142110298 USWGFWRISXHLOA-AWEZNQCLSA-N 338.411 3.919 0 1 EHAF Brc1ccccc1CSc1nnc(-c2cnccn2)o1 95575561 JEIOFKNZPKJGTM-UHFFFAOYSA-N 349.213 3.581 0 1 EHAF Cc1nc(CC(=O)c2cncc(Oc3cccnc3)c2)sc1F 96178152 IAZQKECMCGMGMI-UHFFFAOYSA-N 329.356 3.598 0 1 EHAF C[C@H]1c2ccoc2C[C@H]2[C@H]1CC[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C(=O)O 238767999 QRMVWXGDIZSPKK-QQLLTZMLSA-N 346.423 3.927 0 1 EHAF O=c1cc(CO)oc([C@@H](Sc2ccccc2)c2ccccc2)c1O 299833359 RTMHYNWHDZWBRO-IBGZPJMESA-N 340.400 3.719 0 1 EHAF O=C1c2ccccc2-c2cc(-c3cncnc3)nc3ccc(O)c1c23 586987995 KEGFUFXTUHQNFK-UHFFFAOYSA-N 325.327 3.609 0 1 EHAF COc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(Cl)n1 587084268 WIQNRLRQHZBCGQ-UHFFFAOYSA-N 331.656 3.843 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1 587609680 OWVRYGPDFRIDNV-FXAWDEMLSA-N 334.327 3.801 0 1 EHAF Oc1cccc(CCCCc2nc3cc(Br)cnc3[nH]2)c1 586896465 RIBLMOMJYSJHRX-UHFFFAOYSA-N 346.228 3.991 0 1 EHAF C[C@@H]1SCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587619948 WDAUXWRFSNLCAO-POHZPAGDSA-N 328.389 3.618 0 1 EHAF CCOC(=O)[C@@H]1[C@H](C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587520995 CBYQBCXTNIKCKD-LZHZSBQWSA-N 342.435 3.879 0 1 EHAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)s1 587015133 YDBPPGDIZZORKG-MRVPVSSYSA-N 349.387 3.930 0 1 EHAF CCCC(=O)O[C@H](C)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587482813 JNLGLCSRJXPMLP-CWTRNNRKSA-N 334.412 3.800 0 1 EHAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)n1 587078828 BWEXPFMCVYMLFM-ZETCQYMHSA-N 336.754 3.888 0 1 EHAF O=C(c1ccccc1-n1cccc1)n1ncc2ccc(Cl)cc2c1=O 587653618 ZMQZWIDPDLDDHQ-UHFFFAOYSA-N 349.777 3.529 0 1 EHAF COc1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1C 587497853 HEFWGHXZGWAZMD-CQSZACIVSA-N 346.814 3.667 0 1 EHAF c1ccc(OCc2ccc([C@@H]3NCCc4nc5ccccn5c43)o2)cc1 962982700 JGFHFXZOJCMLNH-FQEVSTJZSA-N 345.402 3.741 0 1 EHAF Cc1cc2c(cc1F)[C@@H](c1ccc(-c3cccc(CO)n3)cc1)NCC2 962369792 BBFMABYDEJOHKL-JOCHJYFZSA-N 348.421 3.924 0 1 EHAF CC(C)(C)[C@@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962903435 XHRCJRCUICMZNN-JXFKEZNVSA-N 345.389 3.853 0 1 EHAF CCN(CC)CCOc1ccc2c(=O)c3ccc(F)cc3[nH]c2c1 145340110 PEOIFAPNPODXOK-UHFFFAOYSA-N 328.387 3.541 0 1 EHAF COC(=O)[C@]1(C=C2c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@H]2CCCO[C@H]21 1857622035 KAIRBWGUKDEUFM-XXOPDAEVSA-N 346.398 3.515 0 1 EHAF COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(CC(=O)O)cc1 1857651563 UXBFPNLMBZBGAF-UHFFFAOYSA-N 341.407 3.872 0 1 EHAF NC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 584630312 YECUTBRZQVKCTE-UHFFFAOYSA-N 333.269 3.540 0 1 EHAF Cc1ccc2nc3c(O)n(CCCN4CCCC[C@H]4C)cnc-3c2c1 103903996 SKNKQUVNSOZFFL-OAHLLOKOSA-N 338.455 3.815 0 1 EHAF CCCCOC(=O)COc1ccc(Oc2nc(C)cc(C)n2)cc1 103279223 CGEWPYIBCSGCJV-UHFFFAOYSA-N 330.384 3.608 0 1 EHAF O=C(O)CSc1ncnc2c(C3CC3)c(C(F)(F)F)sc12 113839021 CCIVFZSBGGHSSZ-UHFFFAOYSA-N 334.344 3.764 0 1 EHAF CC=C(C)[C@@H]1[C@H](C)C(=O)[C@]2(O)CCC[C@H](C)[C@H]2[C@H]1C=CC=CC(=O)O 2356657260 ZXYZBGMCPBTWIA-PAQFRHATSA-N 346.467 3.768 0 1 EHAF Cc1ccc(O)cc1Nc1cc(C(F)(F)F)nc(-c2cnccn2)n1 40893558 DDAFEGVTPQQYPD-UHFFFAOYSA-N 347.300 3.710 0 1 EHAF O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCN2CCC1CC2 43020939 QAUSYNLQLSUQSO-UHFFFAOYSA-N 338.407 3.758 0 1 EHAF CC(C)CNc1ncnc2c1nc(C(C)C)n2CCN1CCCCC1 82178121 UEIYOKDGMRVAGB-UHFFFAOYSA-N 344.507 3.504 0 1 EHAF Cc1nn(-c2ccccc2)c2cc(N3CCN(C(C)C)CC3)ccc12 147354441 WCMWLHFGFCISLO-UHFFFAOYSA-N 334.467 3.864 0 1 EHAF CCOC(=O)[C@@H]1[C@H](c2ccc3c(ccn3CC)c2)C[C@H]2CC[C@H]1N2C 253665696 CVPBQVINTITVFJ-PIKOESSRSA-N 340.467 3.791 0 1 EHAF C[C@H](CCO)CC[C@@H]1C(C(=O)O)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C 34579785 XEDCLIOKVSOTJJ-AWOJCUAASA-N 338.488 3.619 0 1 EHAF biogenic CCOC(=O)[C@H]1[C@@H](c2ccccc2OC)[C@H]1C(=O)c1cccs1 653829444 GWDNXYRWQYUBFZ-XHSDSOJGSA-N 330.405 3.532 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(C=C(C)Oc4ccc(F)cc41)[C@@H](C2)C3=O 587426356 CJDJADLOTBRCMS-MGPUTAFESA-N 338.334 3.773 0 1 EHAF C[C@@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576516 HDSZEJOZYMUDPP-NQIIRXRSSA-N 347.370 3.851 0 1 EHAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(N)c(N)cc2[nH]1 587068909 FRXKCTYWLBNWQA-VIFPVBQESA-N 328.803 3.757 0 1 EHAF COC(=O)c1ccnc2[nH]c(-c3cc(Cl)nc4ccccc34)nc12 587084500 BFSNDZGRPAFNRG-UHFFFAOYSA-N 338.754 3.613 0 1 EHAF CCN(CC)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587739140 GBDLTKVSKVDSBC-BDJLRTHQSA-N 343.284 3.679 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc4cc(F)ccc4[nH]1)[C@@H](C2)C3=O 587428949 REQKEGIUMPSYMJ-XOBRGWDASA-N 337.350 3.978 0 1 EHAF CCS(=O)(=O)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586887683 HEURNGFYPNBSGI-CTQRGLTFSA-N 344.480 3.824 0 1 EHAF C[C@H](CCC(=O)O)Cc1nc2cc(F)cc(Br)c2[nH]1 587963451 WRUHHOFCCBUDLI-SSDOTTSWSA-N 329.169 3.508 0 1 EHAF COc1ccc(CN=O)cc1Cn1nc(C)c(Br)c1C 957563986 OERRJPWHKRKDCS-UHFFFAOYSA-N 338.205 3.586 0 1 EHAF CN1CCN(c2cc3[nH]c(-c4ccc(Cl)cc4)nc3cc2F)CC1 5543942 AHLDICFOVWNWRW-UHFFFAOYSA-N 344.821 3.774 0 1 EHAF CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1C(=O)CO 5923449 IJLXLZGJDSJGIQ-BILPMHSYSA-N 344.495 3.942 0 1 EHAF in-vitro COc1cc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(C)=O)ccc1O 1857749723 DDBOVZJFZPFQFA-INIZCTEOSA-N 344.798 3.752 0 1 EHAF CCCCCOC(=O)CCCOC(=O)Cc1cccc(Cl)c1 13644453 JQTLSSLSLKWJOH-UHFFFAOYSA-N 326.820 3.939 0 1 EHAF CN(CCc1ccc2c(c1)OCO2)C[C@@H]1CCCc2c(O)cccc21 13761400 MECKYHKPXNUNIA-INIZCTEOSA-N 339.435 3.715 0 1 EHAF COc1ccc(NC(=O)Nc2ccc(OC(C)(C)C(=O)O)cc2)cc1 26400380 WZEKUXIXSRNHEL-UHFFFAOYSA-N 344.367 3.581 0 1 EHAF N=C1CCN(CC[C@@H](O)COc2ccccc2-c2ccccc2)CC1 28469004 BQIQDLCMJPEBGY-LJQANCHMSA-N 338.451 3.599 0 1 EHAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1 64539074 BIBGXFSSSRGJCD-UHFFFAOYSA-N 349.415 3.695 0 1 EHAF O=c1c(Cl)cn(Cc2coc(-c3ccc(F)cc3)n2)cc1Cl 72183702 QUJVSVXGOHYDMJ-UHFFFAOYSA-N 339.153 3.998 0 1 EHAF Clc1ccc(CNC[C@@H]2C[C@@]3(c4ccccc4)CCN2C3)cc1 95589176 DMKTXCHCQOLXOW-PMACEKPBSA-N 326.871 3.846 0 1 EHAF COc1ccc(-n2c(SC)nc3c4ccccc4nc-3c2O)cc1 100705626 PUFHGSXVMBHHAR-UHFFFAOYSA-N 337.404 3.961 0 1 EHAF Cn1cc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 143273744 QVJJBCYFQPYLFU-KRWDZBQOSA-N 330.309 3.866 0 1 EHAF CCN(C)C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144694379 ZNHXQHGYXCIWNK-KRWDZBQOSA-N 335.325 3.557 0 1 EHAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC)cc3)oc2c1 168823715 FSYZIGUKYWOTFF-GFCCVEGCSA-N 349.390 3.754 0 1 EHAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@@H](O)[C@H]1CC=CCCCC(=O)O2 253633008 KBFCVOAVUKWCPS-OJMKUTMCSA-N 336.472 3.523 0 1 EHAF COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2CCCO[C@@H]21 299812229 KAIRBWGUKDEUFM-VSDBXLHJSA-N 346.398 3.515 0 1 EHAF Cc1[nH]nc2c1[C@H](c1cccs1)c1c(nc3c(c1N)CCCC3)O2 299830991 ZPUVDDFGHXTOSN-AWEZNQCLSA-N 338.436 3.922 0 1 EHAF Cc1c(-c2nccn2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986893 GPIVGKDVBICEKV-UHFFFAOYSA-N 341.370 3.861 0 1 EHAF Oc1nc2cc3nc(-c4cccc(F)c4C(F)(F)F)[nH]c3cc2[nH]1 587098582 UEMTVOPSVNPYGE-UHFFFAOYSA-N 336.248 3.970 0 1 EHAF C[C@@]1(CC2COC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356991 LUNJNCXZZRQBHY-ICSRJNTNSA-N 342.366 3.685 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(C)s1)O2 587409684 IYWIAVMTSFWJJM-SFHVURJKSA-N 345.420 3.673 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)O)cc1)CC2=O 587489048 MMQWOCUFDASWAH-KRWDZBQOSA-N 326.348 3.749 0 1 EHAF CCc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587528405 YVNQRZCYHUUGDB-JOCHJYFZSA-N 347.414 3.941 0 1 EHAF CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cc(Cl)c(F)cc12 587632839 RZGNYSPYSLIRHH-UHFFFAOYSA-N 346.745 3.768 0 1 EHAF Cc1c(F)ccc2c1[C@@H](c1ccc(CN3CCSCC3)o1)NCC2 962301399 RLGSWRPNRKTUGG-LJQANCHMSA-N 346.471 3.511 0 1 EHAF Cc1sc(-c2cccc3ccccc23)nc1C(=O)N1CCOCC1 1772631928 RBOLRWCNQCFKSZ-UHFFFAOYSA-N 338.432 3.744 0 1 EHAF Cc1cc(N)nc(CCc2cc(CCCN(C)C)cc(F)c2F)c1 1857541875 IOUZWWFXRZKIKT-UHFFFAOYSA-N 333.426 3.530 0 1 EHAF C[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(F)cc3)=NN2C1=O 1857746312 SIPQOEKTGLDIQD-QLJPJBMISA-N 344.773 3.938 0 1 EHAF CC=C1CC[C@@H]2C3=Nc4ccccc4[C@@]34C[C@@H](C[C@@H]4OC(C)=O)N2C1 2356624960 VNHKEWIAYPUPDF-KBMWQNTOSA-N 336.435 3.529 0 1 EHAF COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1 13470716 QEJVHQDLWUVNET-UHFFFAOYSA-N 326.440 3.785 0 1 EHAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@@H](c1ccccc1)C3 13983747 CHLXKGQFNLQYNC-QGZVFWFLSA-N 347.462 3.925 0 1 EHAF CC(C)=CCc1cc2c(cc1O)OC[C@H](c1ccc(O)cc1O)C2=O 14819436 DEWZIAAJECGHQI-MRXNPFEDSA-N 340.375 3.671 0 1 EHAF biogenic Cc1noc(-c2ncn3c2CN=C(c2ccccc2)c2ccccc2-3)n1 26391390 ANOLUDBKOVBFRI-UHFFFAOYSA-N 341.374 3.582 0 1 EHAF Oc1cc(O)c(-c2[nH]ncc2-c2ccc3c(c2)OCCO3)cc1Cl 28468707 VCOQUJZTHUQIBZ-UHFFFAOYSA-N 344.754 3.580 0 1 EHAF CCC[C@H]1CC(=O)C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@H]13 29474237 JMRCYEFEEQSEKU-ZEWNOJEFSA-N 327.468 3.589 0 1 EHAF Fc1ccc(-c2ccc3c(-c4ccnc(NC5CC5)n4)cnn3n2)cc1 38410885 RVSCHTJBVVTPSV-UHFFFAOYSA-N 346.369 3.567 0 1 EHAF Cc1cccc(C[C@@H](NC(=O)c2ccc3ccccc3c2)C(=O)O)c1 49124556 ZDRUGIXKFVQOIJ-LJQANCHMSA-N 333.387 3.574 0 1 EHAF in-vivo CN1C[C@H]2CCN(c3ccc4cc(Br)ccc4c3)[C@H]2C1 58603429 FJTFXYXTBVCQSP-PBHICJAKSA-N 331.257 3.743 0 1 EHAF C[Si]1(C)CC[Si](C)(C)c2cc(C(=O)Nc3ccccc3)ccc21 170193307 BAEMXHOCCYKDPE-UHFFFAOYSA-N 339.587 3.783 0 1 EHAF C[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC(=O)c1ccoc1 238777446 IDSNFIYMRQMCAN-BHPSNQOYSA-N 334.456 3.817 0 1 EHAF CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255209112 FGDFFHLIMDMCJI-VMXORCFCSA-N 334.500 3.566 0 1 EHAF O=C(CCCc1nc2cc(Cl)cnc2[nH]1)c1ccc(Cl)cn1 587082575 SMADIJUXYDLKTC-UHFFFAOYSA-N 335.194 3.865 0 1 EHAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587195493 KUQRUWMZKGRROL-JTQLQIEISA-N 327.359 3.618 0 1 EHAF CC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)COC1 587355247 CTIOBAMYPSGRNU-YLJYHZDGSA-N 342.366 3.685 0 1 EHAF COc1cccc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n(C)c12 587389098 FDMDFRMKLPAVTC-SFHVURJKSA-N 336.391 3.784 0 1 EHAF O=C(O)Cc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587528566 BZFAXANMKSFBBQ-LJQANCHMSA-N 336.387 3.899 0 1 EHAF C[C@@H]1CCC[C@@H](NC(=S)n2ncc3ccc(Cl)cc3c2=O)[C@@H]1C 587653706 DZUJJXLDUCYXOU-UEKVPHQBSA-N 349.887 3.597 0 1 EHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 587787994 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KDSUMUIGPOBVAS-CQSZACIVSA-N 339.307 3.993 0 1 EHAF Cc1c(Cc2ccc(C(F)(F)F)cc2F)c[nH]c1C(=O)NC1CC1 1911576267 HLDSAPKKTAWHGH-UHFFFAOYSA-N 340.320 3.964 0 1 EHAF CCCC[C@H](O)CCCCCC[C@@H](C=CC(=O)O)N=c1cc[cH-][nH]1 2356296994 PJTWZAYRIXGWTR-IRXDYDNUSA-N 335.468 3.535 0 1 EHAF CCC=CC[C@@H]1O[C@H]2[C@@H](O)C[C@H]1[C@H]2C=CCC=CCCCC(=O)O 2356545967 UOGXOGGKPUJKPV-AISVETHESA-N 334.456 3.865 0 1 EHAF CC(=O)c1cccc(-c2cnc3ccc(-c4cccc(CO)c4)nn23)c1 74385955 AQQNAHOSRQOSPU-UHFFFAOYSA-N 343.386 3.758 0 3 EHAF Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCOCC1 23128538 LMSZKBHWWXMAJN-UHFFFAOYSA-N 326.318 3.501 0 1 EHAF COCCOc1ccc(-c2cn3nc(SC(C)C)ccc3n2)cc1 36377851 HUANCFZTINBOBD-UHFFFAOYSA-N 343.452 3.922 0 1 EHAF CC[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C(\C)C[C@@H](C)[C@H]1OC(=O)[C@H]1C 33937524 WOISDAHQBUYEAF-ATPNVYIPSA-N 338.488 3.769 0 1 EHAF in-vitro COc1ccc(CNCc2coc(-c3ccc(F)cc3)n2)cc1OC 72182526 UHVSPZNUPSSQCX-UHFFFAOYSA-N 342.370 3.788 0 1 EHAF COc1cccc(-c2nc3/c(=N/c4ccccc4)[nH]ccc3[nH]2)c1F 74386790 JEMOZPBBQZJWMW-UHFFFAOYSA-N 334.354 3.938 0 1 EHAF COCCNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc(C)c2)n1 82173894 SPWGJFXDEAJAMX-UHFFFAOYSA-N 338.411 3.782 0 1 EHAF Cc1ccc(Nc2nccc(NC[C@H](O)c3cccc(F)c3)n2)cc1 45195304 NLHQWAJPELMIKN-KRWDZBQOSA-N 338.386 3.813 0 1 EHAF CN1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 95556911 SQEVCSTZAPUFAD-OZMCLOMFSA-N 343.467 3.781 0 1 EHAF Cc1cc(O)n2nc(SCc3c(Cl)cccc3Cl)nc2n1 95574564 YLLDHXHYUHYJMK-UHFFFAOYSA-N 341.223 3.737 0 1 EHAF C[C@H]1CC[C@@]2(C)C(C(=O)O)=CC=C[C@H]2[C@]1(C)CCC1=CC(=O)OC1 238731278 XVTYNOXQGXBEAH-NCJOTSGUSA-N 330.424 3.889 0 1 EHAF c1ccc([C@@H]2Oc3ccccc3C3=NN[C@@H](c4ccncc4)[C@H]32)cc1 653869219 FODVSPVMCYTCET-DYXWJJEUSA-N 327.387 3.880 0 1 EHAF Fc1ccc(-c2cnn(Cc3nc4ccnc(Cl)c4[nH]3)c2)cc1 587164803 BADDDCCILQRPKL-UHFFFAOYSA-N 327.750 3.662 0 1 EHAF COC(=O)C[C@@H]1Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587097333 LKRLYZWHEHGEMJ-LBPRGKRZSA-N 343.382 3.957 0 1 EHAF Cc1c(F)ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 587175258 WTRDLASLVIZRET-GOSISDBHSA-N 328.318 3.778 0 1 EHAF Fc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1F 587042993 XBMJPGZZSCARNL-HOTGVXAUSA-N 331.391 3.787 0 1 EHAF O=C1CC2(CCN(c3ccncc3)CC2)Oc2c1ccc1c2CCCC1 587511959 BAIHEDJBMVMMTM-UHFFFAOYSA-N 348.446 3.965 0 1 EHAF COc1ccc(-c2ccc(-c3nc4ncc[nH]c-4n3)c(F)c2)c(F)c1 587149800 BESVSXKAXACMPE-UHFFFAOYSA-N 338.317 3.925 0 1 EHAF CC(=O)CCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587813799 PWJJGHSDVAFCMB-BJOHPYRUSA-N 328.225 3.923 0 1 EHAF COc1ncc(F)cc1-c1nc2cc(F)c(Br)cc2[nH]1 587176089 MKNRVKDBWGFZBD-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF CCC(=O)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587403661 PLRYXCMRKRSYGZ-KRWDZBQOSA-N 325.364 3.599 0 1 EHAF COc1cncc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 587070204 QPTJBRJIVKXXJV-JTQLQIEISA-N 329.787 3.996 0 1 EHAF N=c1[nH]c(-c2cccc(-c3nc4cc(Cl)ncc4[nH]3)c2)cs1 587020533 BAEASUJJFQLMFK-UHFFFAOYSA-N 327.800 3.814 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnc(C)n1-c1ccccc1)[C@@H](C2)C3=O 587430532 INNWUUDIKHJDBE-KKSFZXQISA-N 346.386 3.678 0 1 EHAF CC(C)(C)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2n1 586967803 FPODAZDGEMUFHD-UHFFFAOYSA-N 342.424 3.641 0 1 EHAF N=c1[nH]ccc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587507694 RRYITKJNZKXIAW-HNNXBMFYSA-N 328.799 3.733 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)cc2)N1 587748030 TVZZDUNRMCCRLV-BMLIUANNSA-N 349.247 3.968 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)NCc1ccccc1 587872416 XMWREUMBTCLFAF-UHFFFAOYSA-N 339.370 3.846 0 1 EHAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2nc(Cl)c[nH]c-2n1 587069411 KBHXHHVRNIRIFU-QMMMGPOBSA-N 335.194 3.988 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(Cn1nc(C)cc1C)CC2=O 587477911 VSRWRWRJAXEXIQ-LJQANCHMSA-N 328.412 3.582 0 1 EHAF CCC1CCC([C@@H]2CCc3nc4nc(O)nc(O)c4cc3C2)CC1 587560962 DFNWSUCICXQUCB-WXRRBKDZSA-N 327.428 3.757 0 1 EHAF Cc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(F)c1 587146495 NTZNMQLLNGPNEQ-UHFFFAOYSA-N 325.387 3.510 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)[C@@H](C(=O)OC)C(F)(F)F 963228668 MKIPRXHWSKNXAW-VMGRFDJRSA-N 343.389 3.910 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)C[C@@]43C)[C@@H]1CC=C2n1ccnn1 169274639 PQTPTEHEYLJZIZ-SWEGMTMGSA-N 325.456 3.951 0 1 EHAF CCCCN(Cc1ccc(O)c(OC)c1)Cc1ccc(O)c(OC)c1 1857772019 LBOLKQUGYRPJEI-UHFFFAOYSA-N 345.439 3.917 0 1 EHAF COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C)cc1)CC3 13764644 GCSJTLWMFLOWBK-UHFFFAOYSA-N 335.403 3.668 0 1 EHAF Cc1c([C@@H](C)c2c(F)cccc2F)nc(N2CCC(C)CC2)[nH]c1=O 28866754 ZYLLDCUWDALJQP-LBPRGKRZSA-N 347.409 3.745 0 1 EHAF Fc1ccc(-c2cc(NCc3ccc4c(c3)OCO4)ncn2)cc1F 82162037 NGLRRMJXGPFTNG-UHFFFAOYSA-N 341.317 3.763 0 1 EHAF O=C(NC1CC1)c1ccc(-n2cnc3c(Cl)cc(F)cc32)s1 84597089 ZTOWOHQMIIBVJV-UHFFFAOYSA-N 335.791 3.772 0 1 EHAF CC[C@@]1(c2cccc(-c3cccc(Cl)c3)c2)NC(=N)N(C)C1=O 84632663 JDGYHXLXMUDRKO-SFHVURJKSA-N 327.815 3.609 0 1 EHAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccc2ccccc12 100809710 JKAFFXOGVDWHNS-ZGSOFYHKSA-N 333.431 3.879 0 1 EHAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccccc1 103270554 NBJKYSYCMBMYPD-INIZCTEOSA-N 325.408 3.958 0 1 EHAF Cc1nc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc2[nH]1 117625248 SFTDFKZWZIZWFX-XLIONFOSSA-N 331.419 3.816 0 1 EHAF N=c1oc2c(O)cccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1 166498333 GBMLRSFSAQCBHP-UHFFFAOYSA-N 348.280 3.889 0 1 EHAF COC(=O)C1=C[C@@]2(c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 169339395 VQRFUQBWZBYASP-DYGMFVABSA-N 328.383 3.706 0 1 EHAF CC(C)=CC(=O)O[C@@H]1[C@H]2CO[C@H](O)[C@H]2[C@]2(C)C(C)(C)CCC[C@]12C 238764988 HMZLPTZFNMJDIY-GPTASGHESA-N 336.472 3.682 0 1 EHAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)s1 587014848 RQTSNAABWBSQSG-YMTOWFKASA-N 345.428 3.816 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(F)c(N)c(F)c3)nc2c1 587135078 SGLZAVHLRSDKOW-UHFFFAOYSA-N 337.713 3.530 0 1 EHAF CC(C)[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)N(C)C 587198195 AZSVNLMWGNNHIB-NSHDSACASA-N 336.308 3.871 0 1 EHAF COc1cc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2cc1F 587247948 ZAVFVYXUSLBVCF-UHFFFAOYSA-N 342.374 3.757 0 1 EHAF COc1cc2c3c(c1)O[C@](c1ccc(N)cc1)(C1CCC1)[C@@H](C2)C3=O 587433969 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NDFNRBWLVZWETQ-UHFFFAOYSA-N 331.301 3.510 0 1 EHAF CCCS/C=C(/C)n1c(C(=O)c2ccc(Cl)cc2)noc1=O 40423099 BFBJRRJDDKUDQJ-KTKRTIGZSA-N 338.816 3.682 0 1 EHAF CC[C@@H](C)NC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1 82133241 JWLLOHNFQSHXHU-OAHLLOKOSA-N 340.471 3.764 0 1 EHAF CCCCOCCCNc1cc(-c2cc(OC)ccc2OC)ncn1 82160750 PVQBUZOKSPWSMS-UHFFFAOYSA-N 345.443 3.780 0 1 EHAF O=C1C(c2c(O)[nH]c3c(Br)cccc23)=Nc2ccccc21 84623679 HQEUNYHHPDEVEG-UHFFFAOYSA-N 341.164 3.953 0 1 EHAF O=C(NO)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12 146913289 MTPNUPIJFRGYKP-UHFFFAOYSA-N 345.358 3.937 0 1 EHAF O=C1c2ccc(OCc3cccc(F)c3)nc2CCN1CC1CCC1 142332643 BDJUUYFFRXWHHT-UHFFFAOYSA-N 340.398 3.598 0 1 EHAF C/N=c1\c(NC(=O)c2cccc(Cl)c2)c(O)oc2ccccc12 617997473 KQGWREGNNXXHFF-RGEXLXHISA-N 328.755 3.575 0 1 EHAF CNc1nc(-c2ccccc2)c(S(=O)(=O)c2ccccc2)s1 299857834 DCHOQSJXFBRXCW-UHFFFAOYSA-N 330.434 3.685 0 1 EHAF CSc1nccc(N2CCC(N(C)Cc3ccc(C)cc3)CC2)n1 299854683 AJNISDIHIVPIHP-UHFFFAOYSA-N 342.512 3.608 0 1 EHAF Fc1ccc2c(c1)C[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)O2 587173728 IBGDWZDFBROZNO-QGZVFWFLSA-N 338.317 3.703 0 1 EHAF CC[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348609 AGDUQKUNAZVQEO-IEBWSBKVSA-N 328.339 3.628 0 1 EHAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sn1 587855084 FKMCNTHFFLCWJJ-JKYUHCHBSA-N 341.249 3.977 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)ccn1)O2 587374372 XLTVEKNCDWOISU-INIZCTEOSA-N 347.212 3.615 0 1 EHAF Cc1ccnc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 587127016 KOFPGUKIGWZQQO-UHFFFAOYSA-N 333.273 3.708 0 1 EHAF C[C@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)cnc2[nH]1 586960274 ANIDEHXQJDTYFU-ZETCQYMHSA-N 325.319 3.620 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccnc32)N1 587780027 XQUALFYPTUWERX-BMLIUANNSA-N 347.231 3.707 0 1 EHAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(SC)cc2[nH]1 586922389 MCAGXPSZBIQSIP-UHFFFAOYSA-N 332.450 3.745 0 1 EHAF Fc1ccc2c(-c3nc4nc(Br)c[nH]c-4n3)coc2c1 587174448 JKBBNIPKVFQTJS-UHFFFAOYSA-N 333.120 3.619 0 1 EHAF CN(C)C(=O)c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 587151223 XKTARVHKDCNFTG-VMPITWQZSA-N 327.334 3.713 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ncc(C(C)(C)C)s1)[C@@H](C2)C3=O 587453136 UTGBEZIULYPKGI-ZBEGNZNMSA-N 329.421 3.938 0 1 EHAF Cc1ccnc2c1CCN[C@]21CC[C@H](OCc2ccccc2)C[C@H]1F 963072483 SFMFUSHMCSTNAZ-DSKINZAPSA-N 340.442 3.838 0 1 EHAF Cn1nc2c([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cccc2c1C=O 963113028 YQCNTNZRIWRRKT-BTYIYWSLSA-N 349.409 3.635 0 1 EHAF COc1cccc2cc3c(nc12)[C@]1(CCC[C@H]2[C@H]1C2(F)F)NCC3 963039187 UBEKBZRUKJDYAL-FDQGKXFDSA-N 330.378 3.650 0 1 EHAF Cn1ccc(Cn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)n1 1772593756 CRYKKCVVHRIZJU-UHFFFAOYSA-N 338.745 3.587 0 1 EHAF O=C(/C=C/C=C/CC/C=C/c1ccc2c(c1)OCO2)N1CCCC1 13838492 XWQSYLYFCJTIEL-BTLPPRQPSA-N 325.408 3.944 0 1 EHAF biogenic,in-vitro Clc1ccc(C2=NO[C@@]3(CCCCO3)[C@H]2Br)cc1 207607332 MGYIZIQWYFBJEI-STQMWFEESA-N 330.609 3.735 0 1 EHAF CC1(C)C[C@H](c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)NC1=O 1857599396 RBNTVMSBECTUTB-QGZVFWFLSA-N 347.418 3.521 0 1 EHAF CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 214788 FXVOAYCWENHZHU-IRXDYDNUSA-N 342.464 3.527 0 1 EHAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 1700143 XHCCPSKYYJBSAA-AUKSTXNNSA-N 332.484 3.774 0 1 EHAF biogenic c1ccc(-c2noc3c(Nc4ccc5c(c4)OCCO5)ncnc23)cc1 20858629 OWIIRFPVNJCQOA-UHFFFAOYSA-N 346.346 3.800 0 1 EHAF CCCOCCCNC(=S)Nc1ccc(Br)c(C)c1 33925132 VPTBGHNVWFSEAG-UHFFFAOYSA-N 345.306 3.861 0 1 EHAF CC1(C)C(=O)C=C[C@]23C[C@@]24[C@@H](CC[C@@H]13)[C@]1(C)CCC(=O)[C@@]1(C)C[C@H]4O 38694786 WDERTWRXKAEKCP-KVIBCQEESA-N 342.479 3.694 0 1 EHAF O=C(c1ccccc1)c1sc(N2CCCC2)nc1Br 96907305 WHKZUAXNKGNPDT-UHFFFAOYSA-N 337.242 3.737 0 1 EHAF Cc1cn2c(c/c1=[O+]/C(F)(F)F)CSn1c-2nc2ccccc21 98043958 MCZZCHCEAWDGRW-UHFFFAOYSA-N 338.334 3.561 0 1 EHAF in-man Nc1cc(-c2ccccc2)nn1C(=O)c1csc(-c2ccccc2)n1 98082836 HESJFBATHIJVIA-UHFFFAOYSA-N 346.415 3.944 0 1 EHAF C[C@]1(c2cccc(Nc3ccccc3OC(F)F)c2)COCC(N)=N1 143056929 IIOABHPKSLIUSW-GOSISDBHSA-N 347.365 3.634 0 1 EHAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCOc2ncccc21 205619142 HBKPYZFWFANAAR-GFCCVEGCSA-N 337.206 3.571 0 1 EHAF Clc1ccccc1-c1ncnc2c1cnn2CCN1CCCCC1 207187103 NMTSIFPNIVXUAQ-UHFFFAOYSA-N 341.846 3.633 0 1 EHAF CCCN(CCC)C[C@@H]1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21 253652323 YDPKSNJHDPWZFQ-MFPFFRNPSA-N 349.515 3.944 0 1 EHAF Clc1nccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587007135 MLLYPNFZZJICIY-UHFFFAOYSA-N 348.591 3.917 0 1 EHAF CCc1ccc2nc(C(F)(Br)Br)[nH]c2c1 587087283 NWHJKHMFZPWBPY-UHFFFAOYSA-N 336.002 3.995 0 1 EHAF Fc1ccc(-c2cnn(Cc3nc4cncc(Cl)c4[nH]3)c2)cc1 587165187 MEEHJPBKOIZTKO-UHFFFAOYSA-N 327.750 3.662 0 1 EHAF Cc1cnc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 587168444 WJSBVLQCVYSNKM-OAHLLOKOSA-N 339.374 3.774 0 1 EHAF CS(=O)(=O)c1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1 587173861 BSJQUYUCQVYALZ-UHFFFAOYSA-N 330.340 3.519 0 1 EHAF COc1ccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1 587212652 CBJFQZUIBNHOMG-GOSISDBHSA-N 329.399 3.989 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](n3nc(C)cc3C)C1)O2 587391977 PTDKTHCQSDZHRA-YWZLYKJASA-N 339.439 3.910 0 1 EHAF CCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC 587401748 XSUOWNXUULKYLT-KRWDZBQOSA-N 327.380 3.691 0 1 EHAF COc1cc2c3c(c1)O[C@]1(Cc4cccc(Cl)c4C1)[C@@H](C2)C3=O 587418457 BGHUBBGFDHICQU-LIRRHRJNSA-N 326.779 3.634 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@H](C)O)CC2=O 587489484 NRTJDYXSABNMNB-LHSJRXKWSA-N 340.419 3.672 0 1 EHAF O=C1C[C@@H](c2ccccc2-n2cncn2)Oc2c1ccc1c2CCCC1 587517168 IGSCFLIZHYRPFO-FQEVSTJZSA-N 345.402 3.853 0 1 EHAF CCOC(=O)/C(=C\N(C)C)c1[nH]c2cc(Cl)c(F)cc2c1CC 587630059 FDRNCGMPNBALOA-XFXZXTDPSA-N 338.810 3.988 0 1 EHAF Cc1coc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587772132 DJQKOIIILKUKAI-VXJOIVPMSA-N 339.208 3.682 0 1 EHAF CCCOc1cccc(Cc2nc3cc(OC)cc(OC)c3[nH]2)c1 587778034 FYPJRJMXQHWRAM-UHFFFAOYSA-N 326.396 3.960 0 1 EHAF CO[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587808572 GWENNBSBFHZEIX-SIVJFFJCSA-N 342.252 3.907 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(O)cc1 587870713 QENDXRSDCHLWAM-UHFFFAOYSA-N 340.354 3.676 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc(C)nc1C 587873209 VYSCBMBKXURUES-UHFFFAOYSA-N 345.399 3.850 0 1 EHAF CC/C(=C\c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(C)cc1 587967085 KSQWMFRYLCQMDY-GXDHUFHOSA-N 330.395 3.798 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1c(C)ccc(C)c12 962943315 GPEUVUQZTREPJI-RCDICMHDSA-N 345.446 3.905 0 1 EHAF C[C@@]1(COc2cccc(C=O)c2)c2c(F)cccc2C[C@H]2CCCN21 963095005 BXPHABVHEZKAPN-DYESRHJHSA-N 339.410 3.953 0 1 EHAF O=C(O)c1csc(-n2nc(-c3cccc4ccccc34)cc2O)n1 1772587608 KNXNUOITJHWHJC-UHFFFAOYSA-N 337.360 3.553 0 1 EHAF O=C1Nc2ccc(Nc3ccc(F)cc3)cc2[C@]1(O)Cc1ccccc1 1857555003 HMBYRHLJLLWBES-OAQYLSRUSA-N 348.377 3.952 0 1 EHAF OC(CO[C@@H]1CC[C@H]2[C@H]3CC[C@@H](C3)[C@H]21)(C(F)(F)F)C(F)(F)F 2356562964 LDINMRIWMAKHOC-LADJIXMOSA-N 332.284 3.683 0 1 EHAF CC(=O)OC[C@@H]1c2ccccc2[C@@H]2CCC[C@@](C)(COC(C)=O)[C@@H]12 2356699636 CRJPIQLOYYZXCG-NMLBUPMWSA-N 330.424 3.800 0 1 EHAF Fc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1F 3942082 NVDYRDZHCINQQB-MRXNPFEDSA-N 342.393 3.918 0 1 EHAF COC(=O)c1cc(C)ccc1[C@H]1CN=N[C@@]12Cc1ccc(C)cc1C2=O 5539813 MHBBUIFYOBDBRL-NQIIRXRSSA-N 348.402 3.817 0 1 EHAF Cc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 13523651 WSZSOPNGNAEERM-UHFFFAOYSA-N 348.450 3.933 0 1 EHAF O=C1c2c(O)cccc2C(OCc2ccccc2)c2cccc(O)c21 13606534 GPWJHESFKQNGLV-UHFFFAOYSA-N 332.355 3.948 0 1 EHAF Cc1cccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)c1 13832022 ISICIJTYDOIXSR-UHFFFAOYSA-N 348.446 3.579 0 1 EHAF CCCN1CCc2cc(F)cc3c2[C@H]1Cc1cccc(OC=O)c1-3 29041614 XSLIKTVGDRTDPM-QGZVFWFLSA-N 325.383 3.893 0 1 EHAF C[C@H]1CO[C@](Cn2ccnc2)(c2ccc3c(c2)Cc2ccccc2-3)O1 29346571 LQQIQVLTAPFYIK-BTYIYWSLSA-N 332.403 3.743 0 1 EHAF COC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)OC[C@@]4(C)[C@@H]3CC[C@]12C 29409735 SZAGBXYCBORFKQ-VVCMKPAYSA-N 334.456 3.581 0 1 EHAF CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1C1CCCCC1 34029466 RLMGQZOUXZOSKE-KRWDZBQOSA-N 343.423 3.666 0 1 EHAF COc1cc(C[C@@H]2CCCC[C@H]2O)cc(Br)c1OC 73197499 IDQRGCHJUZGJGW-WCQYABFASA-N 329.234 3.560 0 1 EHAF Cn1cc(-c2ccc(CN3C(=O)CCc4ccccc43)c(F)c2)cn1 95593984 MPCPECLKVIQFTG-UHFFFAOYSA-N 335.382 3.706 0 1 EHAF C[C@@H]1C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2F)c2ccccc21 101655232 KNHQQAUXYVUKEB-ZDUSSCGKSA-N 335.382 3.877 0 1 EHAF Cc1nn(Cc2c(F)cccc2Cl)c2cc(CC(=O)O)ccc12 205653310 UNSPLLJKFQPIRX-UHFFFAOYSA-N 332.762 3.813 0 1 EHAF O[C@@H]1C[C@@H](c2nc3cccc(Br)c3[nH]2)c2ccccc21 586900229 AUFBGWFXEWDTJQ-BXUZGUMPSA-N 329.197 3.894 0 1 EHAF Cc1oc2c(c1-c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)C(=O)CCC2 586903200 HNTIXEGLJBSXEG-UHFFFAOYSA-N 346.289 3.972 0 1 EHAF COC(=O)c1cc2nc([C@H](C)SCc3ccccc3)[nH]c2cn1 586961550 KAUAWWONLIXJRZ-NSHDSACASA-N 327.409 3.739 0 1 EHAF NC1CC(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C1 587255607 SCSZJVAQOQCFLV-UHFFFAOYSA-N 348.166 3.624 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)c(F)c1F)[C@@H](C2)C3=O 587424717 SVLRFZCQRZGRKR-BBATYDOGSA-N 334.293 3.775 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C(C)C)CC2=O 587483581 RGYPFIYDVVERKR-LJQANCHMSA-N 334.412 3.658 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc(C(C)C)n1)CC2=O 587489367 LIBHGCSIBRBCJV-QGZVFWFLSA-N 326.396 3.965 0 1 EHAF CCN(CC)C(=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587622526 CGSLUEWQPZXVCG-UHFFFAOYSA-N 349.232 3.597 0 1 EHAF Cc1[nH]c2cc(Cl)c(F)cc2c1-n1cnc2ccccc2c1=O 587631932 MRROTMKWZFHGGS-UHFFFAOYSA-N 327.746 3.968 0 1 EHAF Cc1ccc([C@H]2C[C@@H]2C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652343 PJBSIUWGXLXOLW-WBVHZDCISA-N 338.794 3.802 0 1 EHAF Cc1ccnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587767836 BIMXRQWBYPMJNU-MGPLVRAMSA-N 335.220 3.915 0 1 EHAF CCC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810467 CPTPOTBFNMUJSN-RFAUZJTJSA-N 328.225 3.707 0 1 EHAF C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)[C@@H]1C 587818477 DUAJYLIZILXXDN-PIAUOXEZSA-N 340.236 3.563 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccncn1 587866177 XAWHENKBOPXEAJ-UHFFFAOYSA-N 334.301 3.747 0 1 EHAF COC(=O)c1cccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c12 587970392 GLLFPYRINAXLQM-UHFFFAOYSA-N 348.402 3.779 0 1 EHAF COc1ccc([C@H](O)c2cc(O)cc(-c3c(C)noc3C)c2)cc1 1857750836 VNEXJLVRKPRBMX-IBGZPJMESA-N 325.364 3.754 0 1 EHAF O=C(O)[C@H]1Cc2ccccc2C=C1C1=Cc2ccccc2C[C@@H]1C(=O)O 2356538370 BXDCWQGAILMPMH-PMACEKPBSA-N 346.382 3.667 0 1 EHAF CC1(C)Oc2cc3c(cc2C[C@@H]1O)[C@H]1Oc2cc(O)ccc2[C@H]1CC3 2356615850 NCIDZOIOOOCWGG-XPGWFJOJSA-N 338.403 3.630 0 1 EHAF CC[C@H]1CN2CC[C@H]1C[C@H]2COC(=O)Nc1ccc(C(C)=O)cc1 2356874555 YWXKSFFRGPKTAN-ZVZYQTTQSA-N 330.428 3.558 0 1 EHAF CCc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 201227 IRTUNITZXBJNDE-SFHVURJKSA-N 338.407 3.619 0 3 EHAF Cc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)o1 3896494 OZYLJAIYPGSIHE-UHFFFAOYSA-N 334.335 3.770 0 3 EHAF CCNC(=O)[C@@]1(C)CCN(Cc2cccc(Oc3ccccc3)c2)C1 61897689 UUVHBNITRITSKM-NRFANRHFSA-N 338.451 3.827 0 3 EHAF CC(C)[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(Cl)cc2)O1 95569216 AWGCJEWWXJXBLJ-OCCSQVGLSA-N 336.844 3.773 0 3 EHAF COc1ccc(CN2C(=O)CCC[C@@]2(C)c2nc3ccccc3[nH]2)cc1 199209712 ITZOEBUZVWXYIR-NRFANRHFSA-N 349.434 3.999 0 3 EHAF 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337.306 3.629 0 1 EHAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)no1 587587477 NYPPMDNHVXUESI-VQIMIIECSA-N 337.331 3.566 0 1 EHAF CC(=O)CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813940 QWCXMAGALYIPPI-BJOHPYRUSA-N 328.225 3.707 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COC2(C)C)N1 587835688 XRCFLCKXLWKLRS-VFZGTOFNSA-N 326.209 3.640 0 1 EHAF CN(Cc1ccc(F)cc1)c1cc(NC(=O)c2ccccc2)ncn1 1772633834 GSSBGRLMXFBZGK-UHFFFAOYSA-N 336.370 3.504 0 1 EHAF CC1=C[C@H]2OC(=O)C(C)=C2CCC(C)=CCC[C@](C)(O)C(=O)CC1 2356330916 WFFGMWPCPCUPGU-XLIONFOSSA-N 332.440 3.795 0 1 EHAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356410882 DOPNAZPVNCZMLH-MWSNVTOISA-N 334.500 3.566 0 1 EHAF CC=C1CN2CCc3c([nH]c4ccc(O)cc34)[C@H]2C[C@@H]1CCOC 2356535085 OJQWEELBMCSJSY-IFXJQAMLSA-N 326.440 3.775 0 1 EHAF CC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 8578939 CRRACWHCQBUBBT-UHFFFAOYSA-N 326.440 3.826 0 3 EHAF CN(C)C(=O)c1ccc(-c2nccc(NCc3cccs3)n2)cc1 4266754 RQHGGBANDJASSV-UHFFFAOYSA-N 338.436 3.519 0 1 EHAF Cc1ccc2c(c1Br)CCN2C(=O)Nc1cccnc1 13779424 NLNBNROVVZQUSP-UHFFFAOYSA-N 332.201 3.747 0 1 EHAF CN[C@H]1c2cc(OC)ccc2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1O 13835650 RJYHGFMJSOIYHN-ULQDDVLXSA-N 338.234 3.769 0 1 EHAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)NCC[C@@]4(C)[C@@H]3CC[C@]12C 29412530 NRBYKRJQRQZVLV-FCOYLTGOSA-N 347.499 3.687 0 1 EHAF Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CCO)s3)n2)c1 40394270 QIYHYLDEYCTUSQ-UHFFFAOYSA-N 340.452 3.804 0 1 EHAF CCOC(=O)c1cc2cc([C@]3(Cc4ccccc4)CCNC3)ccc2[nH]1 40862247 JIQNPRNQHOWEMG-QFIPXVFZSA-N 348.446 3.818 0 1 EHAF Cc1ccnc(N2C(=O)CS[C@@H]2CC23CC4CC(CC(C4)C2)C3)n1 40980418 SLIJYYCQWSWZDP-MUGCCGGLSA-N 343.496 3.797 0 1 EHAF CCOc1cc(/C=C(\C)[N+](=O)[O-])ccc1OC(=O)c1ccccc1 64539121 ABDGTQZECOQETM-ACCUITESSA-N 327.336 3.942 0 1 EHAF Cc1ccc(/C=C/Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)cc1 71340748 BZVHOSNBTNCHKY-ONEGZZNKSA-N 337.350 3.861 0 1 EHAF CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CC(C)C)nc3n2)C1 82231333 LBBIKZDEZKCWBB-KBPBESRZSA-N 328.460 3.532 0 1 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0 1 EHAF COc1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2cc1C 587952470 RNSNELIIOVBEBF-WLYUNCDWSA-N 332.444 3.958 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CNC(=O)OC(C)(C)C)N1 962954966 RJQVLOMCXRZSGB-RNODOKPDSA-N 343.471 3.832 0 1 EHAF Fc1ccc(-c2nc(-c3nn[nH]n3)cc3c2[nH]c2ccccc23)cc1 1857572897 GOLUONLJMICBFK-UHFFFAOYSA-N 330.326 3.702 0 1 EHAF Cc1ccsc1CN(C(=O)Nc1cccc(Cl)c1)n1cnnc1 1857752723 DREODKVMBUTWIM-UHFFFAOYSA-N 347.831 3.672 0 1 EHAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@]1(C)C[C@H]([C@@](C)(O)CO)CC[C@@H]21 2356330253 QDHSQPWXQCVCIZ-GJDYGTDVSA-N 338.532 3.750 0 1 EHAF CCC=CCC=C[C@@H](O)[C@H](O)C=CC=CCC=CCCCC(=O)O 2356576358 XJVATZRQYYFGGW-RTBURBONSA-N 334.456 3.934 0 1 EHAF CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@@H]2C1 2356629502 HVYJQUZFHNFBAD-QEGZRPRASA-N 332.440 3.953 0 1 EHAF CC=C(CO)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3C[C@H]2C1 2356709720 RMYNXUZHSPSIKZ-MNFOOTCESA-N 332.440 3.589 0 1 EHAF COc1cc2c(cc1OC)CCc1cc(OC)c(OC)cc1CC2 1650715 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3.692 0 1 EHAF C[C@@H]1C(=O)c2ccc3c(c2[C@@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 230068342 ZTOORMQTJNUZOQ-VGTOOOLASA-N 338.359 3.744 0 1 EHAF endogenous,in-man C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC(=O)[C@H](C)[C@@]12C 238755218 AQLZNBNHVVROJC-CZLCPFRWSA-N 344.407 3.956 0 1 EHAF O=C(Nc1cc(Cl)c(O)cc1O)C1(c2ccc(O)cc2)CCC1 473126211 ZWRJEGNTYNQXOE-UHFFFAOYSA-N 333.771 3.517 0 1 EHAF O=C1[C@@H](c2ccc(O)cc2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1 299819279 BMKPNQVPLOCMLU-PMACEKPBSA-N 347.370 3.675 0 1 EHAF COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2cccc(F)c12 587633884 MVGYSMJNJXYTPY-UHFFFAOYSA-N 333.265 3.608 0 1 EHAF Cc1nc(N(C)C)ncc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587194217 AWDQNVJZINULHL-UHFFFAOYSA-N 339.296 3.552 0 1 EHAF COc1cccc(OC)c1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873530 GUNDWUFJBSKMGF-UHFFFAOYSA-N 340.310 3.501 0 1 EHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1Cl 587376797 UBNMLTYHOLRLMJ-INIZCTEOSA-N 347.798 3.954 0 1 EHAF COC(=O)c1ccnc2[nH]c(CCCCCCCCCCCO)nc12 586894493 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339.208 3.682 0 1 EHAF CN(C)c1ncccc1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 587196528 ZDTRQCFWKUAATH-UHFFFAOYSA-N 342.402 3.922 0 1 EHAF COC(=O)c1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 587258579 OABBYVVHTPOHOC-KRWDZBQOSA-N 345.402 3.745 0 1 EHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 587784508 IDKQMMJINWOSFD-RYUDHWBXSA-N 328.318 3.785 0 1 EHAF O=C1C[C@H](c2cccn2-c2ncccn2)Oc2c1ccc1c2CCCC1 587511529 HIDPNRPGPPIPTC-LJQANCHMSA-N 345.402 3.853 0 1 EHAF C[C@H](c1ccc2c(O)nc(O)nc2n1)c1ccccc1C(F)(F)F 587368237 KVLQKPUEPINRDF-QMMMGPOBSA-N 335.285 3.607 0 1 EHAF O=C(c1nc2nc(Cl)ncc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133317 OCTTXNRQZQZBJT-UHFFFAOYSA-N 345.548 3.683 0 1 EHAF COC[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597131 SKQPYBBZINLMHK-FXAWDEMLSA-N 342.391 3.785 0 1 EHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccnc(OC)c2[nH]1 587925998 FJZOHTUFZUENIA-GFCCVEGCSA-N 327.384 3.526 0 1 EHAF CN1CCN(c2ccc3[nH]c(-c4cc5c(s4)CCC5)nc3c2)CC1 587036609 HJWVEXPJRBCLBL-UHFFFAOYSA-N 338.480 3.532 0 1 EHAF Oc1ccc2c(c1)[C@H](c1cc(F)cc(F)c1Br)NCC2 963350311 AUGCVSALUOGOPX-OAHLLOKOSA-N 340.167 3.668 0 1 EHAF CC(C)c1ccc2c(c1)[C@]1(CCO2)NCCc2c1c(C(C)C)nn2C 962917220 LRPMJIYGHFNFDT-NRFANRHFSA-N 339.483 3.839 0 1 EHAF COc1ccc([C@@H]2C[C@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1 1772633639 JKTGAMFHACPSFR-QTUASDBPSA-N 336.403 3.589 0 1 EHAF O[C@]1(c2ccc(/C=C/c3ccccc3)cc2)CN2CCCC[C@H]2CO1 1857745578 GUDNLQXNRRGELR-TXLWKQMCSA-N 335.447 3.887 0 1 EHAF CC(C)N(c1ccc(CCNC(=O)c2ccc(O)cc2)cc1)C(C)C 1857761792 JBCNQENWGSOMGS-UHFFFAOYSA-N 340.467 3.988 0 1 EHAF COc1ccc2c(Cl)c(C(=O)n3nnc4ccccc43)sc2c1 499086 NKFRDMCRPRHLMT-UHFFFAOYSA-N 343.795 3.997 0 1 EHAF COc1cc2c(cc1OC)[C@H]1Cc3cc(OC)c(OC)cc3[C@@H](C2)O1 1653442 BSTRZFRADQWXKM-HZPDHXFCSA-N 342.391 3.632 0 1 EHAF CNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCC1)O3 6793481 NUEFGVHEYWNLGW-UHFFFAOYSA-N 327.380 3.769 0 1 EHAF C[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@H]1COC(=O)C1 2356456168 TUFKWTIZKAZNKT-VJWDDSFOSA-N 332.440 3.646 0 1 EHAF Cc1c(C(F)(F)F)noc1OCC(=O)N(c1ccccc1)C(C)C 103189798 PHLPYXQTLBENKK-UHFFFAOYSA-N 342.317 3.822 0 1 EHAF c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c2cc[nH]c2c1 114772102 YFPQLFJPEVEYOZ-UHFFFAOYSA-N 334.379 3.664 0 1 EHAF CO/C(O)=C1\C(C)=Nc2ccccc2S(=O)(=O)[C@@H]1c1ccccc1 101348964 LYLFHOWODXMJSS-GROYHEBESA-N 343.404 3.724 0 1 EHAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)CCC2(CCCCC2)O3)S1 26968807 FKXHLUKUGNBQJT-HNNXBMFYSA-N 331.437 3.609 0 1 EHAF O=c1c(O)c(-c2ccc(O)c(Br)c2)oc2ccccc12 29133734 PRCKYUAOQHQLJO-UHFFFAOYSA-N 333.137 3.634 0 1 EHAF CC=C(C)[C@@H]1[C@H](C)C(=O)[C@]2(O)CCC[C@H](C)[C@H]2[C@@H]1C=CC=CC(=O)O 2356657261 ZXYZBGMCPBTWIA-WUJRGEEMSA-N 346.467 3.768 0 1 EHAF Nc1ncc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)cn1 68243573 MPTRQLXNBJOFSI-UHFFFAOYSA-N 326.363 3.750 0 1 EHAF Fc1cccc(Cl)c1[C@H]1C[C@@H](c2ccccn2)Nc2ncnn21 72105961 WDPFDEYCTLVXDM-UONOGXRCSA-N 329.766 3.612 0 1 EHAF Nc1c(C(=O)c2ccc(F)cc2)oc2ncc(Br)cc12 71282303 NNBNMPPAGAVHJJ-UHFFFAOYSA-N 335.132 3.543 0 1 EHAF Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C)cc1CN1CCOCC1 45291471 DJDCZALMEJMMLS-APWZRJJASA-N 330.472 3.592 0 1 EHAF CC[C@H](C)C(=O)OCc1ccc([C@]2(C)CO2)c(OC(=O)C(C)C)c1 15169430 NLNNOYIIACIFGJ-DJJJIMSYSA-N 334.412 3.583 0 1 EHAF biogenic C/C1=C/C=C/[C@H](C)C(=O)C[C@H](C(C)C)[C@H]2C=C(CC(=O)C1)C(=O)O2 40421777 BMKPIWHFMRABEY-PKOCSPPNSA-N 330.424 3.571 0 1 EHAF C[C@@H]1CC[C@]2(C)C(CO)=CCC[C@@H]2[C@]1(C)CC/C(=C/C(=O)O)CO 82123151 LRLROPFPFABQRF-HWBMROOVSA-N 336.472 3.541 0 1 EHAF CCCOc1ccc2nc(-c3cn4nc(CC)sc4n3)oc2c1 143885919 ASXTXRFEDVOSJU-UHFFFAOYSA-N 328.397 3.950 0 1 EHAF COc1ccc([C@@H]2N(c3cccc(Cl)c3)C(=O)[C@@H]3CCCN32)cc1 250591186 XRVWHSCURBBRDW-ROUUACIJSA-N 342.826 3.858 0 3 EHAF O=C1CCOc2cc(OCc3ccc(Br)cc3)ccc21 653808128 REJQKHNSNKPWNF-UHFFFAOYSA-N 333.181 3.993 0 1 EHAF N[C@@H](Cc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCCCO3 587058845 JUOCELNAAYHLTM-ZDUSSCGKSA-N 343.814 3.620 0 1 EHAF O=C1c2ccc(O)cc2O[C@@]2(CCn3cccc32)[C@@H]1c1ccc(F)cc1 587339962 RJEARERHASDINQ-TZIWHRDSSA-N 349.361 3.991 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)nc3ccccn13)O2 587381007 ZNUDRHONLLACPI-GOSISDBHSA-N 341.798 3.759 0 1 EHAF C[C@H]1C[C@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657186 XXFJAWSFVLGJMG-CMPLNLGQSA-N 340.329 3.638 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCOC2)N1 587836661 XBLPLCVYTLUQJZ-HFBDOXOYSA-N 328.225 3.590 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=O)c1cccc(Cl)c1)O2 587376943 DYODWUZQOWXNKQ-GOSISDBHSA-N 329.783 3.837 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc4cccc(OC)c4n1)[C@@H](C2)C3=O 587434967 ANTOLCGOWDXODA-QKKBWIMNSA-N 347.370 3.741 0 1 EHAF Cc1c(-c2nc3c(Br)cncc3[nH]2)oc2c1[C@H](O)CCC2 586904944 DLQSEHZVIFOMBX-SNVBAGLBSA-N 348.200 3.659 0 1 EHAF CCC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)COC1 587832053 AVJVSUHEPXUAJI-XPTSAGLGSA-N 328.225 3.590 0 1 EHAF Cc1[nH]c2cc(Cl)c(F)cc2c1CCOc1ccccc1C(N)=O 587630702 APGYXOKHZOSEDI-UHFFFAOYSA-N 346.789 3.989 0 1 EHAF COc1nc2ccccc2cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587396311 YWYFAWLNJVUKFM-GOSISDBHSA-N 334.375 3.841 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cnccc12 587584458 AEJFIZYJDUCIEC-WIYYLYMNSA-N 345.354 3.591 0 1 EHAF COc1ccc(C[C@@H](C)c2nc3cc(Cl)cnc3[nH]2)cc1OC 587927475 UYFQHMIUHZDYEC-SNVBAGLBSA-N 331.803 3.975 0 1 EHAF Cc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1F 587038465 IRFNIGZHQFERFS-UHFFFAOYSA-N 349.391 3.876 0 1 EHAF Cc1sc2c(c1C)CCN[C@@]2(CC1OCCO1)c1ccccc1F 963004380 CHPFTESJPJZBFO-IBGZPJMESA-N 347.455 3.656 0 1 EHAF COc1ccc2c(c1)[C@]1(CCCN3CCCC[C@@H]31)N(C(C)C)CC2 962086846 DGSNXFFTVBMEEF-RTWAWAEBSA-N 328.500 3.805 0 1 EHAF CCN(CC)CCCNc1ncc(C)c2c1c1cc(O)ccc1n2C 5139276 NFAVXWHNAASLHL-UHFFFAOYSA-N 340.471 3.884 0 1 EHAF CC(C)CN1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 19742050 ATTNYRKXHYFZJL-IBGZPJMESA-N 335.923 3.582 0 3 EHAF Nc1nc(N)c2cc(Sc3c(F)c(F)cc(F)c3F)ccc2n1 169337653 ABDPSMYEPUAXOX-UHFFFAOYSA-N 340.305 3.502 0 1 EHAF COc1cc(OC)c2c(=O)cc(-c3ccc(OCCF)cc3)oc2c1 169349816 CQOYFDFJQWWIQU-UHFFFAOYSA-N 344.338 3.826 0 1 EHAF C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(C=O)cc3)cc2)C1=O 169717831 JAVMDZBXQKOBNG-ZUOKHONESA-N 338.428 3.946 0 1 EHAF N=C(N)c1ccc(OCCNc2ccnc3cc(Cl)ccc23)cc1 1857538575 WUHDZHIOHAQLMM-UHFFFAOYSA-N 340.814 3.663 0 1 EHAF CO/C(O)=C1/C(C)=Nc2nc(SC)nc(O)c2[C@@H]1c1cccs1 104110892 RONGBNLOFDBPRL-AHEVQNHNSA-N 349.437 3.620 0 1 EHAF CCN(Cc1ccncc1)Cc1nc(Cc2ccccc2Cl)no1 59874856 QDPWVEPDTPDUAK-UHFFFAOYSA-N 342.830 3.731 0 3 EHAF C[C@@H](N)c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 61927851 IYYFGNRMDWXTTJ-SSDOTTSWSA-N 330.335 3.826 0 3 EHAF CCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2)on1 28758831 OSDQSHRFDQDFCJ-UHFFFAOYSA-N 328.412 3.806 0 1 EHAF C[C@@]12C(=O)N(c3ccccc3F)C(=O)N1CCc1c2[nH]c2ccccc12 2111894 YAYYRMWEQPXECH-HXUWFJFHSA-N 349.365 3.547 0 1 EHAF biogenic C[C@@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)C1CCOCC1 73257561 GRIJGLMNIRAJPK-CXAGYDPISA-N 332.444 3.752 0 1 EHAF O=S(=O)(c1cccc(Cl)c1Cl)n1ccc2ncccc21 43119951 IMVFIYWXXPXZHL-UHFFFAOYSA-N 327.192 3.580 0 1 EHAF Cc1cccc(-c2cc(Nc3ccc4nccc(N)c4c3)nc(N)n2)c1 95579939 HANFANSZBGFAFU-UHFFFAOYSA-N 342.406 3.908 0 1 EHAF O=C(Nc1ncccc1F)c1cc(Cl)cc(Oc2cncnc2)c1 96938954 JONFYKSOZZHLQN-UHFFFAOYSA-N 344.733 3.709 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)C[C@H](O)[C@H]32)C1 255201871 CEFAOKKMPAXYIR-RIWGUVNYSA-N 348.483 3.501 0 1 EHAF CCN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](C)Oc1ccc(Cl)cc1)C2 253867373 ZFYZETKHCWUZHQ-QEJZJMRPSA-N 337.847 3.666 0 1 EHAF CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587627759 BURUPFDGUHOMRN-UHFFFAOYSA-N 337.656 3.725 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccnc4ccc(F)cc14)[C@@H](C2)C3=O 587428691 QCCSMTOOSVTONK-YWZLYKJASA-N 335.334 3.871 0 1 EHAF CCn1ncc([C@@]2(C(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587431608 KVXKYZDOLKSYDB-QRWLVFNGSA-N 340.423 3.519 0 1 EHAF FC(F)(F)Oc1ccc2nc(Cc3csc4nccn34)[nH]c2c1 587041168 WINWONMLDPYKKU-UHFFFAOYSA-N 338.314 3.762 0 1 EHAF CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587628482 LSUZBTDYUINGHR-UHFFFAOYSA-N 337.656 3.725 0 1 EHAF CC(C)C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810914 DRZNPSXAVHRBEY-HWPZZCPQSA-N 342.252 3.953 0 1 EHAF CCN(C)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587427138 CAUDGCAXGBDUGX-DYESRHJHSA-N 337.419 3.814 0 1 EHAF Fc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1F 587005377 GKKSAEMACPFESV-UHFFFAOYSA-N 345.534 3.714 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cn2)N1 587729925 IHZPILKFYGZDHO-AYVTZFPOSA-N 339.183 3.746 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccccn1 587589583 VTBVRXFWKAFKAL-MJGOQNOKSA-N 347.370 3.750 0 1 EHAF CCOC(=O)c1ccc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2c1 586904600 YTRSHTCAAACAII-UHFFFAOYSA-N 338.363 3.827 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCc4cc(F)cc(F)c41)[C@@H](C2)C3=O 587428481 OTZIOGXQDKPOTB-ORAYPTAESA-N 328.314 3.563 0 1 EHAF COc1ccc(OC(C)(C)C)n1-c1cnc(C)c(Br)n1 587942367 WNAIGYJMVWDGTN-UHFFFAOYSA-N 340.221 3.524 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)nc1 587570289 ODQYWZXUKUIDCQ-QFBILLFUSA-N 337.306 3.629 0 1 EHAF O=C(O)c1ccccc1/C=C/c1nc2cc(Br)ncc2[nH]1 586881424 FXFBKGBJVISHIW-AATRIKPKSA-N 344.168 3.589 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(N(C)C)c(C)c1)CC2=O 587466798 BFNFTJMOKBRRBM-SFHVURJKSA-N 340.423 3.821 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(Cl)nc2[nH]1 586916456 MNMIHOVKGVYXPM-KZULUSFZSA-N 341.798 3.828 0 1 EHAF C[C@@H](F)[C@@H](N)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587126748 XZHZWXUQYQSYIT-SPGJFGJESA-N 340.118 3.702 0 1 EHAF Oc1cccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587028856 ALWZZNSUVKYDCW-UHFFFAOYSA-N 347.403 3.790 0 1 EHAF CCOC(=O)[C@@H](F)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587501495 BZJYTOLGOFRODI-IEBWSBKVSA-N 334.387 3.581 0 1 EHAF O=C1CCc2cc3nc(CCc4cc(F)c(F)c(F)c4)[nH]c3cc2N1 587138380 JRXPSJUTARODJT-UHFFFAOYSA-N 345.324 3.650 0 1 EHAF C=CN1CCCC[C@@H]([C@]2(C3CC3)NCCc3cc(C)c(F)cc32)C1=O 962095811 XLYNFBJZGUVPDR-UTKZUKDTSA-N 342.458 3.657 0 1 EHAF O=C([C@@H]1Cc2ccccc2[C@@H](c2cc3ccncc3o2)N1)C(F)(F)F 962771081 VAQPFVFKJAGYEV-BBRMVZONSA-N 346.308 3.563 0 1 EHAF CC(C)N(O)C(=O)NCCCSc1nc2ccccc2s1 13650914 URJRTMHMDNJDSK-UHFFFAOYSA-N 325.459 3.588 0 1 EHAF 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3.768 0 1 EHAF COc1cccc([C@H](C)Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 587930542 JLWWVYJWSUJKKK-SNVBAGLBSA-N 328.343 3.755 0 1 EHAF O=C(O)c1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1F 587780997 OENXKYWWMPLNDF-DAXSKMNVSA-N 326.327 3.630 0 1 EHAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 587049960 KRWRNTCSSDGQPJ-HNNXBMFYSA-N 343.774 3.565 0 1 EHAF Oc1cc(C2CCCCC2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 587946862 XYARBJQTMQIYDY-UHFFFAOYSA-N 342.374 3.860 0 1 EHAF Cc1cc(F)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 587084529 BYPSLVVIAVRZAM-UHFFFAOYSA-N 345.809 3.838 0 1 EHAF CC(=O)Oc1c(-c2ccc(Cl)cn2)[nH]c2c(C(=O)O)cccc12 587638590 OBHBTFVXPQYSGV-UHFFFAOYSA-N 330.727 3.507 0 1 EHAF Cc1ccccc1C(=O)c1c(CO)oc2cc(Br)cnc12 587275854 GOPHUBZWFSRVOA-UHFFFAOYSA-N 346.180 3.622 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)cc1N(C)C)O2 587384676 HOPWGBVATWMSFP-IBGZPJMESA-N 328.387 3.663 0 1 EHAF Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@H](O)C4)-c1ccccc1C2=O 587100543 COJPLEJUBMIAMG-KPZWWZAWSA-N 329.399 3.850 0 1 EHAF 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3.733 0 1 EHAF CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(N)c2)cc1 84704232 PLRWFHORFFDUBU-UHFFFAOYSA-N 327.453 3.693 0 1 EHAF CCN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCCC1 40973146 ISXTVMLLUKKPCR-UHFFFAOYSA-N 344.421 3.936 0 1 EHAF COC(=O)c1cc2cc(NCc3ccccc3C(F)(F)F)cnc2[nH]1 148962290 MFAPLYWBOUSVJJ-UHFFFAOYSA-N 349.312 3.980 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@]12CC[C@@]1(C=COC1)O2 257505563 OQLCWZJEAYGVQE-GSAXKUOUSA-N 332.440 3.596 0 1 EHAF CC/N=c1\c(NC(=O)c2cccc(Cl)c2)c(O)oc2ccccc12 617997448 CAWLYJABYVRBKE-HKWRFOASSA-N 342.782 3.965 0 1 EHAF O=C1C[C@H](CCCCCO)Oc2c(Br)cc(Cl)cc21 299841191 YMDYUBJAADQUSE-JTQLQIEISA-N 347.636 3.989 0 1 EHAF OCc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586978877 ASANNTCVIIZCEZ-UHFFFAOYSA-N 338.592 3.533 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)cc1OC)[C@@H](C2)C3=O 587422357 YTGUXPXRFFZLNS-SCLBCKFNSA-N 330.767 3.846 0 1 EHAF CCC[C@H](C)CN1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437517 JEAIWKUIVFMULV-WMLDXEAASA-N 343.467 3.713 0 1 EHAF 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CTLKQFQFWJFDLP-UHFFFAOYSA-N 327.391 3.638 0 1 EHAF COc1ccc(F)c(-c2csc(NC(=O)c3oc(C)nc3C)n2)c1 1857771794 RODKOXQUNXAIHJ-UHFFFAOYSA-N 347.371 3.815 0 1 EHAF COc1cc(C=CCO)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C 2356392764 OGQCHHKOBZTHRP-CWTRNNRKSA-N 340.375 3.667 0 1 EHAF CNc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N 2391785 WUWMKQIRTKOCMN-UHFFFAOYSA-N 344.216 3.760 0 1 EHAF COC(=O)[C@H]1[C@H](c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H]1[S@@]2=O 101102897 MIMHZFDDUBVDSD-KPDMKQMHSA-N 347.263 3.550 0 1 EHAF COC(=O)c1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 116910244 HSWLEGZVPLEDSX-HNNXBMFYSA-N 342.700 3.905 0 1 EHAF OC1=C2C(=Nc3nnnn3[C@@H]2c2ccc(Cl)c(Cl)c2)CCC1 103628074 GDZIUQQZYWIJOA-CYBMUJFWSA-N 336.182 3.651 0 1 EHAF Nc1nc(-c2ccco2)nc2sc(CNC3CCCCC3)cc12 118599962 IEJJEPFSVOJDJL-UHFFFAOYSA-N 328.441 3.956 0 1 EHAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@]1(C)[C@H](CCC[C@]1(C)O)C2=O 2356439959 JAUSPTWEASSNRQ-UOWJPWOOSA-N 348.439 3.972 0 1 EHAF C[C@@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)O[C@H]1O 2356595715 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O=c1oc2ccc(Br)cc2cc1CSc1ncc[nH]1 205731590 CBUJRRYTCIUXIQ-UHFFFAOYSA-N 337.198 3.571 0 1 EHAF CN1CC[C@@]23C4=Nc5ccccc5[C@]2(CCN4C)C1=Nc1ccccc13 13382756 PXTQEXWLEGUDPA-FGZHOGPDSA-N 342.446 3.621 0 1 EHAF CCCCCCC(=O)N[C@H]1CCCCN(Cc2ccccc2C)C1=O 200049550 GTUNPWXUMMNXTI-IBGZPJMESA-N 344.499 3.963 0 3 EHAF COc1ccc(Cl)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 26672802 HVWRVAHBKREIOR-HKUYNNGSSA-N 330.859 3.932 0 1 EHAF CCCCC[C@@H](O)c1cccc(OCc2cccc(C(=O)O)n2)c1 25986795 CIWKGUMRBGOESV-GOSISDBHSA-N 329.396 3.973 0 1 EHAF COc1ccc2cc(CC[C@H](C)[C@H]3SC(=O)NC3=O)ccc2c1 26656277 LTWRJTXVTNEKPC-MEDUHNTESA-N 329.421 3.769 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H]4[C@@H](C[C@@H]21)[C@@]4(C)[C@H]3O 2356581297 RDPBMMCACGFEDD-QAUHHMMNSA-N 332.484 3.789 0 1 EHAF COc1ccc2c(c1)c(CCO)c(C)n2C(=O)c1ccc(Cl)cc1 28862899 JIAQEPVMVLWTJM-UHFFFAOYSA-N 343.810 3.835 0 1 EHAF Cn1ccc2c3ccccc3nc-2c1C[C@@]1(C)CC[C@@H](C(C)(C)O)O1 135898143 QYWQQLPGAZOYAL-GHTZIAJQSA-N 338.451 3.929 0 1 EHAF CC[P@@](=O)(OC)C1=CCN(C(=O)OCC[Si](C)(C)C)CC1 195477724 HVOZYIAQUCRSPJ-HXUWFJFHSA-N 333.441 3.995 0 1 EHAF CN(C)CCCCOC(=O)c1coc(-c2ccc3ccccc3c2)n1 82086437 AYBIEOVHBZILQM-UHFFFAOYSA-N 338.407 3.993 0 1 EHAF O=C(Nc1ccc(F)cc1)c1ccc(SC[C@H]2CCCO2)nc1 145069243 GBHWJQZMOREPNL-OAHLLOKOSA-N 332.400 3.744 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2[C@@H](O)CC[C@H](C)[C@@]12C 238754623 FEVYLFPXBKQRPU-IZQIXQJPSA-N 346.423 3.748 0 1 EHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(O)cc2[nH]1 587081144 WIDFWDMZFASPLL-ZDUSSCGKSA-N 326.787 3.646 0 1 EHAF O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccc3c(c2)OCO3)C1)CC4 587215111 BMNMHMQJDCBDGK-MRXNPFEDSA-N 343.382 3.709 0 1 EHAF N=c1cc[nH]cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587249281 LEPISQWGHUJZFC-UHFFFAOYSA-N 328.681 3.589 0 1 EHAF C[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)n1cc(Cl)cn1 587080750 YHLGRGYAGUCZPD-LURJTMIESA-N 343.587 3.924 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)F)N1 587703893 HMOVXKIMGGYABO-KSBSHMNSSA-N 326.131 3.900 0 1 EHAF CC[C@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587398640 GHRKHJWCCDSTIL-HXUWFJFHSA-N 341.407 3.865 0 1 EHAF CC1(C)O[C@@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2O1 587535998 QAHCJAXYEHBPRZ-POAQFYNOSA-N 328.408 3.583 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N)c2)N1 587747297 PMLYKZNRCPYDFK-DYZYQPBXSA-N 349.247 3.968 0 1 EHAF COc1nccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586895100 OOQOWYWYPNUASA-UHFFFAOYSA-N 331.375 3.793 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)NCCS3)O2 587415604 VNBSEDTWTQSNFF-INIZCTEOSA-N 326.421 3.801 0 1 EHAF CC(=O)Nc1cc(OCC(C)C)nc(SCc2ccccc2)n1 169350216 FYMXTTSUUFYJRU-UHFFFAOYSA-N 331.441 3.762 0 1 EHAF Cc1ccc(CN2CCCC[C@@H](NC(=O)C3CCCCC3)C2=O)cc1 200052484 OBIJJRAEGNYEAA-LJQANCHMSA-N 342.483 3.573 0 3 EHAF O=C(NCCc1ccccc1F)c1ccc(-c2ccsc2)cn1 1857572577 JESIHYGSRBYUFX-UHFFFAOYSA-N 326.396 3.922 0 1 EHAF O=C(c1ccncc1)N1CCC2(CC1)CCN(c1ccccc1)CC2 3955936 HHEGUMZQSJGBHY-UHFFFAOYSA-N 335.451 3.604 0 1 EHAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(C)cc(C)n2)cc1 103285619 NROWPUAQJSMCAL-UHFFFAOYSA-N 348.328 3.974 0 1 EHAF COc1ccc(/C=C/c2ccc(OC)c(OC)c2OC)cc1OC 103297536 VBMOJZPXLYHFBT-SOFGYWHQSA-N 330.380 3.900 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ccncc2)/C1=C(\O)OC1CCCC1 27558751 AIWPYENYTPMLDC-XIGQLOAZSA-N 343.383 3.877 0 1 EHAF COC(=O)[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H]1N2C 100739564 AMIHUYQKNJHXPT-YIKOMLBNSA-N 328.239 3.733 0 1 EHAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1F 104059857 PCFLHLNODJYVIU-VZHUHSAUSA-N 330.363 3.699 0 1 EHAF C[C@@]12N[C@H](Cc3ccc(I)cc31)c1ccccc12 100649208 RRYINJUHCRONBF-CVEARBPZSA-N 347.199 3.755 0 1 EHAF CC[C@H](C)C(=O)C(=O)NCCc1c(-c2cccnc2)[nH]c2ccccc12 29465837 VTKDECRRGTYHBN-AWEZNQCLSA-N 349.434 3.504 0 1 EHAF O=C(O)CC1=C(c2ccccc2)N=C(S)N[C@@H]1c1cccs1 29416143 AXMNQKSHSSEJOY-HNNXBMFYSA-N 330.434 3.564 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccsc3)cc2)C[C@@H]2CC[C@H]1N2 28132393 BFMOQGLGYMZXPC-MLHJIOFPSA-N 327.449 3.812 0 1 EHAF CS(=O)(=O)Nc1cccc(-c2cn3c(n2)sc2ccccc23)c1 27305560 PPDJDLSMIIFYSK-UHFFFAOYSA-N 343.433 3.588 0 1 EHAF C[C@H]1C=C[C@H]2CCC[C@@H](C)[C@@H]2[C@@]12C(=O)N[C@H](Cc1ccccc1)C2=O 2356678968 ZUCYLMDAXHXTEP-XELDHIEJSA-N 337.463 3.541 0 1 EHAF O=C(CCCc1nc(-c2ccccn2)no1)Nc1ccccc1Cl 71927999 WQSFINRHDQIOHV-UHFFFAOYSA-N 342.786 3.746 0 1 EHAF CCOC(=O)Cn1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21 473115589 UKUNYSLKFZQMGM-UHFFFAOYSA-N 346.386 3.713 0 1 EHAF COC(=O)c1occc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587529383 BAUZWDICBATMHY-INIZCTEOSA-N 326.348 3.652 0 1 EHAF Fc1cc2c(c(Cc3nc4cc(Cl)c(F)cc4[nH]3)c1)OCOC2 587170544 CRHVFBLPNJKSSL-UHFFFAOYSA-N 336.725 3.952 0 1 EHAF COC(=O)c1cc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc2cc1OC 587161836 RGUUTPMSSRCOMT-QWHCGFSZSA-N 340.354 3.768 0 1 EHAF COc1ccc([C@H](C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587401139 VPPPHWUFENWJFO-SGTLLEGYSA-N 341.407 3.732 0 1 EHAF Cc1ccc2c3c(cc(-c4ncc[nH]c4=N)nc13)-c1ccccc1C2=O 587097023 GQEZBBHBGVNCAK-UHFFFAOYSA-N 338.370 3.624 0 1 EHAF N[C@@H](N=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587080661 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GPEUVUQZTREPJI-PEBXRYMYSA-N 345.446 3.905 0 1 EHAF C[C@@]12CC[C@@H]3c4ccc(OCC(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O 13099027 XSDCLHQDGODZPZ-PDOICOKGSA-N 328.408 3.575 0 1 EHAF O=C(Nc1cccnc1C(=O)O)c1cccc(Oc2ccccc2)c1 13611224 PLLICDZDXNLAJI-UHFFFAOYSA-N 334.331 3.824 0 1 EHAF O=C(Nc1nc2ncccn2c1-c1ccc(F)cc1)c1ccccc1 203465933 KDGUYUBKYBTDNW-UHFFFAOYSA-N 332.338 3.788 0 3 EHAF C/C=C(/C)C(=O)O[C@H]1CCC2=C[C@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 5132554 KBPMNOLIWDLUPI-NJXRHRCWSA-N 330.424 3.873 0 1 EHAF COc1c(C(C)C)ccc2c1CC[C@@H]1[C@]2(C)CC[C@H](O)[C@@]1(C)CO 13302561 WWWGODYSDJATPL-JYRKZWEQSA-N 332.484 3.792 0 1 EHAF biogenic O=C(Cc1nc2ccccc2n(-c2ccccc2)c1=O)c1ccccc1 18030974 RZILHYHAHUNFDI-UHFFFAOYSA-N 340.382 3.811 0 1 EHAF C[C@@H](Oc1cccc2nc(N)nc(N)c12)c1cccc(C(F)(F)F)c1 28971529 LJQSGWVHQFAIDI-SECBINFHSA-N 348.328 3.953 0 1 EHAF Fc1ccc(Nc2ncnc3cc4c(cc23)OCCO4)cc1Cl 45367722 DMQKZROGVBEXMF-UHFFFAOYSA-N 331.734 3.937 0 1 EHAF FC1(F)CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 49832273 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O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4CNC4)cc3)cc12 216019994 GVWIYOPIFUBACO-UHFFFAOYSA-N 326.783 3.873 0 1 EHAF CC(=O)[C@@H]1[C@@H](O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257414531 FGDFFHLIMDMCJI-OCDNZBLCSA-N 334.500 3.566 0 1 EHAF endogenous,in-man CC(C)(SCc1nc2cc(Br)c(F)cc2[nH]1)C(=O)O 586959402 NSGKNYMAWDKLNK-UHFFFAOYSA-N 347.209 3.561 0 1 EHAF O=C(O)c1cc(F)cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587152082 JRZXFTIHJOIDGN-ZJUUUORDSA-N 332.281 3.950 0 1 EHAF O=C(O)c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1F 587152500 OSCXLJHSIALVAU-BDAKNGLRSA-N 332.281 3.950 0 1 EHAF COc1ccccc1[C@H]1CC(=O)Cc2nc3cccc4c3c(c21)CC4 587215030 YZXJCXFAQFCGBT-QGZVFWFLSA-N 329.399 3.989 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C3CCC(C)CC3)CC1)O2 587396523 UCZQJIUUDOCOGL-UHFFFAOYSA-N 342.483 3.956 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ncc(C)s1)O2 587411293 CROVVCNTCNYXKQ-INIZCTEOSA-N 339.420 3.839 0 1 EHAF CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F 587425966 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CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC)n1)CC2=O 587489943 XIGRHAKQKZCWLO-LJQANCHMSA-N 327.380 3.629 0 1 EHAF COC(=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 587161522 UOTFLFLCCDTIKR-UHFFFAOYSA-N 349.159 3.918 0 1 EHAF Oc1cccc(CCCCc2nc3cc(Br)ncc3[nH]2)c1 586896437 QGSAQFHDAXELHW-UHFFFAOYSA-N 346.228 3.991 0 1 EHAF CC[C@@]1(Cc2nc3nc(Cl)c[nH]c-3n2)CC(=O)c2ccccc2C1 587962276 WRVJZQUDJPDPKM-SFHVURJKSA-N 340.814 3.726 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)nc3F)nc2c1 587177242 DZYDOGBOEQVUCX-UHFFFAOYSA-N 340.141 3.857 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2OCCC2(C)C)N1 587828835 AAPRGHRLDIVNFC-ZWZTZDBGSA-N 342.252 3.979 0 1 EHAF CCn1c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 587390728 NMIQQQXLMRTDQL-HXUWFJFHSA-N 335.407 3.827 0 1 EHAF Cn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 586987200 LDXJIVBLKALPIY-UHFFFAOYSA-N 327.343 3.552 0 1 EHAF C[C@@]1(c2nc3ccc4ncccc4c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174936 SXOFTWAENLJQFZ-FQEVSTJZSA-N 347.349 3.879 0 1 EHAF 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COc1ccc(CCCCc2cc(OC)c(OC)c(OC)c2)cc1O 13452163 LJJCASYVBZTJCR-UHFFFAOYSA-N 346.423 3.992 0 1 EHAF O=C(O)c1c[nH]c2cc(F)c(-c3ccc(OCCCO)cc3)c(F)c12 216010895 SCAHVVCQFKIVSO-UHFFFAOYSA-N 347.317 3.573 0 1 EHAF CCN(CC)C(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1 429610 XINBWAABOBIUPS-UHFFFAOYSA-N 343.452 3.792 0 1 EHAF C[C@@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2C1 2356308929 JUYGGJYDZYGDIK-CQSZACIVSA-N 348.402 3.593 0 1 EHAF O=C(N[C@@H](CO)c1ccc2ccccc2c1)[C@@H]1C[C@H]1c1ccccc1 3960015 ZSCFETLRKPSUJK-HBMCJLEFSA-N 331.415 3.793 0 1 EHAF CC(=O)C[C@H]1OC(=O)C=C1C=Cc1cc(O)c(C=CC(C)C)c(O)c1 2356388792 RSLQUXPTQHZYMB-LJQANCHMSA-N 342.391 3.611 0 1 EHAF Cc1ccc(Cl)cc1NC(=S)NCC1(C(=O)O)CCCCC1 26492690 XQHDDVBPUFJFOK-UHFFFAOYSA-N 340.876 3.970 0 1 EHAF Cc1ccccc1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1 64559569 KSIDACILJMPROB-OAHLLOKOSA-N 344.354 3.598 0 1 EHAF CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2ccncc2)cs1 61904885 TUTHUWWELODEFV-INIZCTEOSA-N 345.374 3.709 0 3 EHAF CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccsc32)CC1 27993423 BHHLPCHKPFDKJQ-UHFFFAOYSA-N 332.860 3.784 0 1 EHAF CCCC(=O)N(Cc1ccco1)[C@@H](CC)C(=O)NCc1ccccc1 2356858951 TXGBZMNXEODLIV-SFHVURJKSA-N 342.439 3.503 0 1 EHAF Cc1cc(Nc2nc(Nc3ccccc3)ncc2Br)[nH]n1 35790117 CIYASHNQNMTNOT-UHFFFAOYSA-N 345.204 3.758 0 1 EHAF Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)o1 587589503 XGLVOYRAJQOPLM-BEFAXECRSA-N 337.331 3.700 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCSC2)N1 587854566 CWYIVELBTYXNAX-PWZJLYFZSA-N 330.266 3.917 0 1 EHAF COC(=O)c1cccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c12 587022119 VPXDDCWYMSYSEL-UHFFFAOYSA-N 338.392 3.777 0 1 EHAF Cc1cc2c(Br)ccc(-c3nc4cc(=N)[nH]cc4[nH]3)c2o1 587004699 YXWZPJPGNSLOBG-UHFFFAOYSA-N 343.184 3.855 0 1 EHAF COC(=O)c1ccnc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc12 587084594 CZWDNJQERXRQDX-UHFFFAOYSA-N 338.754 3.613 0 1 EHAF C[C@H](O)CCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587835776 YAOIIPDYYKKIBI-NRUUGDAUSA-N 330.241 3.715 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(Cc3ccccc3)c1)O2 587392709 WDKSTDXQDOLFQH-LJQANCHMSA-N 333.391 3.529 0 1 EHAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(F)cc3[nH]2)C(F)(F)C1 587132204 MSITUZATDYYUDH-SNVBAGLBSA-N 341.333 3.672 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCCOc4cc(C)ccc41)[C@@H](C2)C3=O 587454932 ZNNQFCGZUWFVOC-HRAATJIYSA-N 336.387 3.819 0 1 EHAF Cc1c(F)ccc2c1[C@](C)(c1c(F)cccc1-n1ccnc1)NCC2 962149583 WZQGIYXAVYCAAK-HXUWFJFHSA-N 339.389 3.868 0 1 EHAF COc1ccc2c(c1OC)[C@@](c1ccccn1)(C(C)C)N(C)[C@H](C)C2 962642653 ZKVOXIXNBLGGTJ-VFNWGFHPSA-N 340.467 3.875 0 1 EHAF Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(F)c1 225946401 IJXQPIKMXWVJMM-UHFFFAOYSA-N 331.734 3.640 0 1 EHAF O[C@H](c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12)C1CC1 141969584 BRLDZMBOIRWMNY-INIZCTEOSA-N 339.826 3.906 0 1 EHAF CNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)cc3)ncc12 1772593617 UYDFMHVNEDIXMK-SECBINFHSA-N 344.806 3.536 0 1 EHAF CC(C)CNC(=O)Nc1ccc(-c2csc3ncnc(N)c23)cc1 13673614 IZZSIDQJHNRLFW-UHFFFAOYSA-N 341.440 3.718 0 1 EHAF CN(C)CC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 13746634 QHHRPUJOBJAVFG-YHDSQAASSA-N 341.495 3.939 0 1 EHAF N=C(N)N(CCCCCCN1CCCC1)Cc1ccc(Cl)cc1 13809092 RBTAQAYFOYCRJJ-UHFFFAOYSA-N 336.911 3.692 0 1 EHAF Cc1ccc([S@](N)(=O)=NC(=O)N(C)c2ccc(Cl)cc2)cc1 13902872 JDPXKYUDIVYVFK-JOCHJYFZSA-N 337.832 3.605 0 1 EHAF O=C(Cc1ccc(-c2ccc3c(c2)OCO3)cc1)NCc1ccco1 169351983 CSOBYZBKLGXUDV-UHFFFAOYSA-N 335.359 3.534 0 1 EHAF Cc1ccccc1N1CCN(CCSCc2c(C)noc2C)CC1 1857554930 VJODPSLKCQUCOY-UHFFFAOYSA-N 345.512 3.655 0 1 EHAF O=C(Nc1nc2cc(-c3ccccc3)ccn2n1)c1cccc(F)c1 1857560102 MKHWSEHBBAQKAS-UHFFFAOYSA-N 332.338 3.788 0 1 EHAF CC(=O)Nc1nc2ncncc2cc1-c1c(Cl)cccc1Cl 27406632 IFZZIWTVNOSPGS-UHFFFAOYSA-N 333.178 3.957 0 1 EHAF Cc1cc(NC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)ccn1 103183460 CFGXRYRALDWWCT-UHFFFAOYSA-N 346.312 3.847 0 1 EHAF CCOC(=O)/C(=C\Nc1cc(F)cc(F)c1)c1ccc(OC)cc1 101491206 KLVIRDXFGUEWDX-BOPFTXTBSA-N 333.334 3.990 0 1 EHAF Cc1ccc(F)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1 28950532 QUHRPPOZZXVLSG-UHFFFAOYSA-N 337.358 3.510 0 1 EHAF CC(=O)[C@@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356469880 FGDFFHLIMDMCJI-NOBXJXFTSA-N 334.500 3.566 0 1 EHAF C[C@@H]1CN2[C@H](c3ccc(Br)cc3)[C@H](C)CC[C@@H]2C(=O)O1 64539369 UVNCKUCDEJMPKS-FKGLVLAHSA-N 338.245 3.536 0 1 EHAF O=C(O)CCCCCCCNC(=O)c1ccccc1OC(F)(F)F 39159396 DEVXRGVDSYIVET-UHFFFAOYSA-N 347.333 3.740 0 1 EHAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)[nH]n1 72123065 HZVGJIKQVXSXJM-UHFFFAOYSA-N 349.390 3.814 0 1 EHAF C[C@@]1(c2ccccc2)CCCN(C(=O)NCCCc2cccnc2)C1 49014058 ALFVRYXSTFHIKR-OAQYLSRUSA-N 337.467 3.778 0 1 EHAF CCCCCCC(=O)Nc1nnc(-c2ccc(O)c(OC)c2)s1 96916865 IITOGCQJPPIAMI-UHFFFAOYSA-N 335.429 3.828 0 1 EHAF COC[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591782 FBHPVVYEGFCEER-FXAWDEMLSA-N 340.375 3.539 0 1 EHAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(Br)ccnc2[nH]1 587163179 HUTRXTPTULVECW-ZDUSSCGKSA-N 349.207 3.511 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)O)c(F)c1)CC2=O 587465154 BHDZZXXWRTUCJT-KRWDZBQOSA-N 344.338 3.889 0 1 EHAF CC(C)[C@H](N)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339760 USBSOSHOBXTEGZ-YZGWKJHDSA-N 343.398 3.632 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(F)c(F)cc(F)c1F)[C@@H](C2)C3=O 587422895 GQKUXVAYMNIINA-QPFGOUBPSA-N 338.256 3.740 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@H](CC)CCC(=O)OC)CC2=O 587476435 COVMHOXLKXRVNC-PXAZEXFGSA-N 334.412 3.658 0 1 EHAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)s1 587014847 RQTSNAABWBSQSG-XPTSAGLGSA-N 345.428 3.816 0 1 EHAF Cc1cc2c(Br)ccc(-c3nc4cnnc(O)c4[nH]3)c2o1 587002864 DYTIBPHXHWPAMP-UHFFFAOYSA-N 345.156 3.543 0 1 EHAF C=C1C=C(C)n2ncc([C@H]3c4c(F)cccc4C[C@@H]4CCCN43)c2N1 963105486 MMHAGAVWODRVCO-KXBFYZLASA-N 336.414 3.932 0 1 EHAF COc1ccc2c(c1)[C@](C)(c1cc(F)ccc1N)N(C(C)C)CC2 962092949 OCKGRINFAUAUKD-HXUWFJFHSA-N 328.431 3.947 0 1 EHAF Cc1cccc(-c2nn3c(c2-c2ccc4ncn(C)c4c2)CCC3)n1 13684169 SXNCFFITOIFUMU-UHFFFAOYSA-N 329.407 3.753 0 1 EHAF COC(=O)c1ccc2c(c1)C[C@@]1(O2)[C@@H](C)CC[C@@H](OC(C)=O)C1(C)C 169396545 YATLABLTRNDGCJ-LCIZUOBNSA-N 346.423 3.535 0 1 EHAF C[C@@]12CC3CC(NC(=O)c4ccc(C(N)=S)cc4)(C1)C[C@](C)(C3)C2 206909072 PYHVFHMJPOBRKR-GOSFSIBNSA-N 342.508 3.800 0 1 EHAF COc1ccccc1CNc1cc(-c2ccccc2CN(C)C)ncn1 4267014 UGRGUXQARXUXJD-UHFFFAOYSA-N 348.450 3.826 0 1 EHAF CCCCCC[C@H](C)C=C(C)[C@@H]1OC(=O)C(=CCC(=O)O)C[C@@H]1O 2356439626 XMARGTUPGWFYOK-OWQGQXMQSA-N 338.444 3.617 0 1 EHAF CC1=C[C@@H]2C[C@H]3[C@]4(C[C@@H](c5ccoc5)OC4=O)[C@@H](C)CC[C@]13C(=O)O2 103289189 DBKVXSDHPBHJOE-YDXIFLSHSA-N 342.391 3.562 0 1 EHAF Cc1cccc(C(=O)Nc2c(-c3ccccc3)nc3ncccn23)c1 107368050 KZWLYYHPNRCCDZ-UHFFFAOYSA-N 328.375 3.957 0 3 EHAF COc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cn1 29128023 HYTVQRGWHWAIPX-UHFFFAOYSA-N 348.406 3.537 0 1 EHAF CN(C)CCCNC(=O)c1cccc2ccc(-c3ccccc3)nc12 27330090 MVIISPVAPUKUMK-UHFFFAOYSA-N 333.435 3.583 0 1 EHAF CC(=O)O[C@H](CCc1ccc(O)cc1)C[C@H](O)C=Cc1ccccc1 2356411444 PMPAJIJYADFUOO-NHCUHLMSSA-N 340.419 3.721 0 1 EHAF COC(=O)c1cccc([C@H]2[C@H](C)N=CN2Nc2cccc(Cl)c2)c1 29327296 OHGGTSHOCBRKHO-YVEFUNNKSA-N 343.814 3.927 0 1 EHAF C[C@@H]1C(=O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)[C@H]4COCN4C5)[C@H]2CC[C@H]1C3 2356783503 LODXPMYUQBAQMQ-IEHJXIPISA-N 343.511 3.866 0 1 EHAF O=C1NCc2ccccc2C[C@]12CCCN(CCCc1ccccc1)C2 71993621 LUYMHDONIAWMHI-QHCPKHFHSA-N 348.490 3.574 0 1 EHAF O=c1oc(CCCO)cc2c1c1ccccc1n2Cc1ccccc1 199499772 DRNYYDPDWCZPNP-UHFFFAOYSA-N 333.387 3.721 0 1 EHAF Oc1cccc2c1O[C@@H]1[C@@H]3CCC[C@]21CCN3CCc1ccccc1 40860368 YTPGCIDYPZFQSQ-BWAGFHJFSA-N 335.447 3.892 0 1 EHAF CCOc1ccc(Nc2nc3cc(C(N)=O)ccc3n2C(C)C)cc1 82191529 VSVOCWHQJCVYGX-UHFFFAOYSA-N 338.411 3.858 0 1 EHAF CCC[C@@H]1C[C@H]2[C@H](CC(=O)OC)[C@H](Cc3ccccc3)C[C@H]1N2C 253646363 NYHLSJFRSGAHTE-WAPOTWQKSA-N 329.484 3.917 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccn(C)c2)N1 587755772 QNLLNVNCOKDOGF-MGPLVRAMSA-N 337.236 3.724 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(OC)cc(C)c3N)nc2c1 587249626 PKAPVBPOBLAIMM-UHFFFAOYSA-N 345.786 3.569 0 1 EHAF CC[C@@]1(c2ccc(C(=O)OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 587400678 RZBVRNIJAQZOAD-FQEVSTJZSA-N 339.391 3.635 0 1 EHAF N=c1nc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c[nH]1 587052077 XRJNRGUCVNPOPZ-UHFFFAOYSA-N 346.177 3.999 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@H]3CCCC[C@@H]3C)CC1)O2 587395544 ODAGJDQTBMXOQQ-YJBOKZPZSA-N 342.483 3.956 0 1 EHAF Cc1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2c1C 586950540 ISELKYIHRYKGJE-UHFFFAOYSA-N 343.452 3.997 0 1 EHAF Nc1ccc2oc(-c3nc4cc(Br)ncc4[nH]3)cc2c1 587251990 PWLZTJBHKNFDDB-UHFFFAOYSA-N 329.157 3.716 0 1 EHAF CC[C@@H]1CC[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587823019 OAJICEZRRYPEMI-IEVXNVSRSA-N 340.236 3.707 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)N[C@@H]2CCCC[C@H]21 587481890 ISKMCFUJXPFCRQ-TXRZWFJJSA-N 343.467 3.989 0 1 EHAF Cc1cc(C)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587523803 HXJKKXFOZOYNNE-QFIPXVFZSA-N 347.414 3.995 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C1CCN(C)CC1 587863950 UPTFGEAXDUURHU-UHFFFAOYSA-N 339.361 3.844 0 1 EHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cccc(O)c1 587868500 NGKZYDZJBJCIOW-UHFFFAOYSA-N 349.312 3.726 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCOc4c(C)ccc(C)c41)[C@@H](C2)C3=O 587454808 YMUGSRKQNJBDHD-YCRPNKLZSA-N 336.387 3.737 0 1 EHAF CCOC(=O)CNc1ccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)cc1 587226964 GNEXFNMNOGDLMJ-UHFFFAOYSA-N 349.312 3.622 0 1 EHAF COCC(C)(C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587788922 AJBMQOATCXVUFD-YMTOWFKASA-N 330.241 3.836 0 1 EHAF CC(C)(C)c1cccc2nc(CCNC(=O)Cc3ccccc3)[nH]c12 587228576 OKXBUCGQDBVTET-UHFFFAOYSA-N 335.451 3.762 0 1 EHAF O=C1C[C@](C(=O)O)(c2ccccc2F)Oc2c1ccc1c2CCCC1 587500352 BEHFQXKHBCXPAL-HXUWFJFHSA-N 340.350 3.650 0 1 EHAF CO[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346181 HMELGGNEMDSURQ-JPJOULJCSA-N 330.355 3.684 0 1 EHAF Cc1cc(Br)c2[nH]c(Cc3cc(N)ccc3F)nc2c1 587141393 QGMVAVQMNCEYSY-UHFFFAOYSA-N 334.192 3.946 0 1 EHAF Oc1nc(NCc2ccccc2)c2nc(-c3ccoc3C3CC3)nc-2[nH]1 586901401 KKWJDSJILYHDRD-UHFFFAOYSA-N 347.378 3.760 0 1 EHAF CN(C)C(=O)C[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587503675 HQDULSCGWRLDSI-BTYIYWSLSA-N 341.451 3.548 0 1 EHAF COc1ccc2c(c1)[C@H](c1cnc(C)nc1C(F)(F)F)N[C@H]1CC[C@H]21 962991861 FSHVDXAAVXSOKN-UHOFOFEASA-N 349.356 3.751 0 1 EHAF CC(C)(F)c1ncncc1[C@@H]1c2c(F)cccc2C[C@H]2CCCN21 963095799 DQXNREZOAVVMQH-CXAGYDPISA-N 329.394 3.930 0 1 EHAF Cn1c(-c2ccccc2)cc2c(N3CCCC3)nc(N3CCCC3)nc21 13651940 NLORRUUYAMBAPG-UHFFFAOYSA-N 347.466 3.836 0 1 EHAF CCN(CC)C[C@H](O)Cn1c2c(c3cc(Cl)ccc31)CCCC2=O 74827 WJHALUUIKUOUNA-AWEZNQCLSA-N 348.874 3.516 0 1 EHAF CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=S)N1CCCC1 1629039 HTBOVAIZEKLASI-OAHLLOKOSA-N 334.485 3.546 0 1 EHAF CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 3054380 LKQDFQLSEHWIRK-PECKBWEZSA-N 334.500 3.710 0 1 EHAF Cc1ccc(Cl)cc1NC(=O)COC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 101636077 BOYZVVONRGESGF-MGPQQGTHSA-N 335.831 3.956 0 1 EHAF COc1ccc(NC(=O)c2ccco2)cc1-c1nc2ncccc2o1 103259435 ANUDYVCGEPYKBF-UHFFFAOYSA-N 335.319 3.744 0 1 EHAF O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)c3ccccc3)cc21 103274661 WXATTZGHVLANOY-INIZCTEOSA-N 343.382 3.519 0 1 EHAF FC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1 114879271 PHUZESTUSFSONE-UHFFFAOYSA-N 348.206 3.709 0 1 EHAF O=C(Nc1ccccc1)OCc1cc(=O)n(-c2ccccc2)s1 40950908 ATHCOMBSKXLIKN-UHFFFAOYSA-N 326.377 3.648 0 1 EHAF CCC(CC)N(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1 49033779 PMZYRKGBQBCWOA-LBPRGKRZSA-N 329.271 3.986 0 1 EHAF COc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3C)cc2)c1 142964550 UNTHSXKVNOYBRL-UHFFFAOYSA-N 336.395 3.715 0 1 EHAF O=C(COc1ccc2[nH]c(=O)ccc2c1)Nc1ccc2ccccc2c1 95597270 VULSCLKYLGRHDD-UHFFFAOYSA-N 344.370 3.699 0 1 EHAF C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCCC(=C23)[C@@]12C[C@@H](c1ccco1)OC2=O 95913832 IQEKRSIWCDUGJG-YPYHOGKESA-N 342.391 3.706 0 1 EHAF biogenic,in-vitro C[C@]12CCC(=O)C[C@@H]1CC1(OCCO1)[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 35995762 AESLIOMWUFZQOI-OBHOOXMTSA-N 346.467 3.520 0 1 EHAF biogenic COc1ccccc1[C@@H]1CCn2nc(COc3ccccc3)cc2C1=O 299838896 ORSZXICPDDDNMX-SFHVURJKSA-N 348.402 3.841 0 1 EHAF CC(=O)C[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814185 RNWPXZDEGVXPGM-MGPLVRAMSA-N 342.252 3.953 0 1 EHAF CC[C@]1(Cc2nc3ccc(CCO)cc3[nH]2)CC(=O)c2ccccc2C1 587961803 VAHSHCYIJHRWBM-JOCHJYFZSA-N 348.446 3.866 0 1 EHAF FC(F)(F)C(F)(F)c1cc2nc(-c3cnc(Cl)nc3)[nH]c2cn1 587085686 AYYOPFFXZIHIQX-UHFFFAOYSA-N 349.650 3.722 0 1 EHAF COC(=O)[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587105853 AXCQBXYQGNQUPO-HNNXBMFYSA-N 329.355 3.649 0 1 EHAF COc1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cn1 587076395 LQYCYIDTPJOMNU-MRXNPFEDSA-N 342.830 3.957 0 1 EHAF C[C@H](c1nc2cc(F)cc(Br)c2[nH]1)n1cc(Cl)cn1 587079425 JVZKLWOMIALFKP-ZCFIWIBFSA-N 343.587 3.924 0 1 EHAF COC[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597132 SKQPYBBZINLMHK-PXNSSMCTSA-N 342.391 3.785 0 1 EHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(F)c(F)c2[nH]1 586881686 HVUIPFIIPNMFHK-UHFFFAOYSA-N 328.318 3.770 0 1 EHAF c1cc2c(s1)[C@H](Cc1nc3cc4c(cc3[nH]1)OCCCO4)OCC2 587035096 LHKGCZBHPRDTRR-INIZCTEOSA-N 342.420 3.642 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](Cc1cccc(Br)c1)O2 587378987 YLSJUSFVQWAZKU-CYBMUJFWSA-N 346.224 3.916 0 1 EHAF CCc1cc(OCc2nc3cc(C(=O)OC)ncc3[nH]2)ccc1Cl 587052645 FTFQKBWQNMHLRA-UHFFFAOYSA-N 345.786 3.539 0 1 EHAF Cc1coc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587776983 ZSMFIGDFLMQHMI-GLEZIHRCSA-N 339.208 3.682 0 1 EHAF CCCCC[C@H](C[C@@H](O)CCc1ccc(O)c(OC)c1)OC(C)=O 15256931 SLEAGHNVFZTGGH-DLBZAZTESA-N 338.444 3.596 0 1 EHAF endogenous,in-man O=C1c2ccc(OCc3ccccc3)nc2CCN1Cc1ccccc1 169331107 QFHIZTIQKQPCIE-UHFFFAOYSA-N 344.414 3.859 0 1 EHAF Fc1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1 169340318 IKKBSTHJSYHHHQ-UHFFFAOYSA-N 326.356 3.840 0 1 EHAF CNC(=O)c1c(Cl)c2cc(OCc3ccccc3)ccc2n1C 1857588200 DDQSABUMDLMDQM-UHFFFAOYSA-N 328.799 3.770 0 1 EHAF Cc1cccc(OCCCOc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 1857771552 YSUZPMOYIQCPNL-HNNXBMFYSA-N 342.391 3.794 0 1 EHAF CC(C)Cc1ccc([C@@H](C)C(=O)NCCCN2CCCCC2)cc1 1553463 CBPDDVSWMWHKRC-GOSISDBHSA-N 330.516 3.981 0 1 EHAF Cc1ccc2c(c1)O[C@@H]1O[C@]3(CC[C@@]21O)c1ccc(C)cc1O[C@@H]3C 2356417412 AGFAYIPDDGSEBN-OOBDGNPPSA-N 338.403 3.696 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@H](C(C)C)C[C@H]2[C@]1(C)O 2356437237 LZCAMMRMUKFTQK-UZKILMIQSA-N 336.472 3.667 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3ccc(O)cc3CC[C@@H]21 100620813 DVSRNXVDLALNTQ-FPOVZHCZSA-N 346.430 3.985 0 1 EHAF FC(F)(F)c1ccc2nc([C@@H]3CCN(Cc4ccccn4)C3)[nH]c2c1 51076742 LYCWJOGHXXWECF-GFCCVEGCSA-N 346.356 3.966 0 1 EHAF biogenic Cc1ncccc1CNc1nncn1-c1cccc(Cl)c1Cl 29126451 WWYGMQSTXVLVMT-UHFFFAOYSA-N 334.210 3.890 0 1 EHAF CC[C@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 29310973 RUNRCUXZMMKEMO-RWXMBLCBSA-N 339.479 3.676 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@H]1S2 28644445 RARSABFRLWAEFW-DGAVXFQQSA-N 341.270 3.990 0 1 EHAF Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 117624195 DNXXGYFANIDRKV-UZLBHIALSA-N 331.419 3.816 0 1 EHAF Cc1cnc(Nc2nc(NC(C)C)ncc2Br)s1 63540353 QCOULMVHIHJKFY-UHFFFAOYSA-N 328.239 3.568 0 1 EHAF Cc1ccc(CNC[C@@H](O)Cn2c3c(c4ccccc42)CCCC3)cc1 73140557 WZJUMFSDXOLPBB-LJQANCHMSA-N 348.490 3.979 0 1 EHAF COC(=O)[C@@]1(C)CCC[C@]2(C)C3=CC(=O)O[C@H](C(C)C)C3=CC[C@@H]12 34568042 FCETVXGBHNPYHQ-QOJCHSLYSA-N 332.440 3.810 0 1 EHAF CCCOCCCNC(=S)Nc1ccc(F)cc1Br 33929391 SEUUPZATKKFQGW-UHFFFAOYSA-N 349.269 3.691 0 1 EHAF C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]13COC(=O)C1=CCC[C@@H]32 32297058 BLXXJMVVAYFKDR-TZPXMIBGSA-N 342.391 3.564 0 1 EHAF Cc1csc2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)cc12 33964016 WMNHZMMTFIEDCY-GOSISDBHSA-N 328.437 3.631 0 1 EHAF CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(Cl)c21 45302800 YLXJJHBNSKFHOT-AEFFLSMTSA-N 332.806 3.604 0 1 EHAF CC1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 144704939 QFCQRNMKEFNJTM-GOSISDBHSA-N 347.336 3.557 0 1 EHAF CC(C)[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(Cl)cc2)O1 95569218 AWGCJEWWXJXBLJ-TZMCWYRMSA-N 336.844 3.773 0 3 EHAF Cc1c(Br)cnc2[nH]c(-c3cc(F)c(N)c(F)c3)nc12 587135294 YKSSIXTUZANZKI-UHFFFAOYSA-N 339.143 3.556 0 1 EHAF C[C@@H]1SCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587857003 JXKAKXNDEUYGPL-ITMYJUKJSA-N 330.266 3.843 0 1 EHAF CCOC(=O)c1cn(-c2c(C)[nH]c3ccc([C@H](C)CC)cc23)nn1 587643703 WQERXEQCLDUJOY-LLVKDONJSA-N 326.400 3.747 0 1 EHAF O=C(Cc1cc2c3c(cccc3n1)CC2)NCc1ccc(Cl)cc1 587209260 MCJWDKVDRYWBQC-UHFFFAOYSA-N 336.822 3.846 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(C)n1)O2 587375571 DQNIANJXZGWKCQ-OAHLLOKOSA-N 347.212 3.750 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N)N1 587748130 UXOKZSLRVJSDQC-ABKXIKBNSA-N 335.220 3.794 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1nc(C(F)(F)F)cs1)[C@@H](C2)C3=O 587420985 JAWDFBDNQREXPI-SDBXPKJASA-N 341.310 3.659 0 1 EHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(F)c(F)cc4[nH]1)(C3)C2 587950861 OODNSWXBNYBGJK-ORMMXULVSA-N 346.377 3.995 0 1 EHAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccc(C)c1)[C@@H](C2)C3=O 587427867 GRGWKSSTUZZCDT-PSQWMWCVSA-N 349.430 3.722 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Br)s1)O2 587410980 AHANNBYSAXEWAB-SNVBAGLBSA-N 339.214 3.503 0 1 EHAF CCOC1CC([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C1 587812117 PSFSTGMLKKHYME-ZDAQOXLSSA-N 342.252 3.979 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1-n1cccn1)O2 587386631 VQDNJIIHSNUBPH-SFHVURJKSA-N 337.354 3.609 0 1 EHAF C/C(=C\N(C)C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587741519 OBGZERARCKASBA-AZZDBCTDSA-N 327.241 3.629 0 1 EHAF COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587531421 FXKTXGMSOFQLDU-QGZVFWFLSA-N 326.348 3.652 0 1 EHAF CCOc1c(OC)cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440239 FKOUKNJLBXZBJP-KUHUBIRLSA-N 340.375 3.591 0 1 EHAF COC(=O)Nc1ccc(-c2nc3ccc(OC(C)C)cc3[nH]2)cn1 587244819 LGMFSJRKVUMVRL-UHFFFAOYSA-N 326.356 3.590 0 1 EHAF CNc1c(F)cccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587136001 UYCRSGBZOVUBQJ-UHFFFAOYSA-N 345.687 3.825 0 1 EHAF NC(=O)N1CCc2sccc2[C@]12CCCCc1ccc(F)cc12 962720706 XSRIFJQPKIWARD-SFHVURJKSA-N 330.428 3.794 0 1 EHAF CN(C)CCOc1ccc(-c2cccc(N)n2)c2c1CCCCC2 13559842 UWOZQXPAWBDKCL-UHFFFAOYSA-N 325.456 3.540 0 1 EHAF CCn1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 13737471 WXIGXEUIMTVEEY-LPHOPBHVSA-N 337.448 3.643 0 1 EHAF O=C(O)COc1c(C(=O)O)sc2cc(-c3ccccc3)ccc12 14954984 MAHKAVCLFODMTH-UHFFFAOYSA-N 328.345 3.730 0 1 EHAF O=C(O)COc1c(C(=O)O)sc2c1sc1c(Cl)cccc12 14955020 YEIAZWYQXXIORC-UHFFFAOYSA-N 342.781 3.931 0 1 EHAF Cc1ccc(OC[C@H](O)CNCC2(c3cccs3)CCCC2)cc1 1857646620 YGSZOLBJQDRZDM-QGZVFWFLSA-N 345.508 3.898 0 1 EHAF O=C1CCN([C@@H]2CCCC[C@H]2OCCc2cccc3ccccc23)C1 3981725 OCJAMRRVVABJIC-FGZHOGPDSA-N 337.463 3.985 0 1 EHAF Cc1ccc(NC(=O)CN2C(=O)C[C@@H](C)Sc3ccccc32)cc1 5052140 QRWZMAFFQAVVMR-CQSZACIVSA-N 340.448 3.851 0 1 EHAF CC(=O)N1[C@H](Nc2cnc3ccccc3c2)CCN1c1ccccc1 5498708 LXANJGTUJXRVRZ-FQEVSTJZSA-N 332.407 3.647 0 1 EHAF CSc1ccc(-c2nc(CN(C)C3CCOCC3)c(C)o2)cc1 11713170 WIAZCXWVMTWOTG-UHFFFAOYSA-N 332.469 3.983 0 1 EHAF CC(C)=Cc1cc(/C=C/S(N)(=O)=O)cc(C(=O)c2ccccc2)c1 13438156 LBYJPBNSKPQLQT-CMDGGOBGSA-N 341.432 3.600 0 1 EHAF C[C@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 29479339 HOYGOGLDLPJTHF-SVWBVHECSA-N 339.479 3.676 0 1 EHAF Cc1ccc(NC(=O)c2ccc(N3CCc4ccccc4C3)nc2)nc1 95590266 JTGDJTKSQCPIIX-UHFFFAOYSA-N 344.418 3.600 0 1 EHAF O=C(c1ccccc1)c1[nH]c2nc[nH]c(=O)c2c1-c1cccc(Cl)c1 96921513 CFVWONDWOIFITE-UHFFFAOYSA-N 349.777 3.803 0 1 EHAF C[C@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@]2(CCN3CC2CCC2)CC1=O 101194516 JGGKOMOQMSZYOH-SHXMKPCDSA-N 339.479 3.676 0 1 EHAF O=c1ccc(-c2nc3ccccc3nc2-c2ccc(Cl)cc2)n[nH]1 103295618 GSVXUNPRLOXCIQ-UHFFFAOYSA-N 334.766 3.701 0 1 EHAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc2ccccc2c1 169314082 XVOOTZXSASFQRD-UQUVTDGQSA-N 333.431 3.879 0 1 EHAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3cccs3)cc1)N2 169346395 OJTSMYGJKFOMBK-UIBIWLFHSA-N 327.449 3.812 0 1 EHAF Cc1nnc2sc(C(=O)N3CC(C4CCCCC4)C3)c(N)c2c1C 221831997 OKTRXHCQUPKLFU-UHFFFAOYSA-N 344.484 3.543 0 1 EHAF CC(C)(C)NCCCCCNC(=O)c1cccc(Br)c1 261082595 BYRHNWKYVYERTD-UHFFFAOYSA-N 341.293 3.737 0 1 EHAF Cc1nc2[nH]c(CCc3cccc(O)c3)nc2cc1Br 586897066 QGGLZVAIUWHORA-UHFFFAOYSA-N 332.201 3.520 0 1 EHAF FC1(F)Oc2cc3nc([C@@](F)(Cl)C(F)(F)F)[nH]c3cc2O1 587090441 QLYHEWAAHSRCJK-QMMMGPOBSA-N 332.587 3.808 0 1 EHAF OCc1ccc(F)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 587140817 ROFOKXZBKZHVIM-UHFFFAOYSA-N 339.139 3.763 0 1 EHAF CCS(=O)(=O)c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 587152063 YLSOGTZZZQAROD-YWEYNIOJSA-N 348.374 3.805 0 1 EHAF COc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Cl 587158956 ZFYQHSGEEINOEE-BTDLBPIBSA-N 331.778 3.706 0 1 EHAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587164052 QPVZJLOBMVDTAK-ZDUSSCGKSA-N 338.308 3.767 0 1 EHAF CCOC(=O)Cc1ccc2nc([C@H](C)Oc3ccc(F)cc3)[nH]c2c1 587168661 KKRQGKFTPSDYKG-LBPRGKRZSA-N 342.370 3.948 0 1 EHAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cnccc2[nH]1 587191642 WHYACRHLQSJMDC-MRXNPFEDSA-N 338.411 3.914 0 1 EHAF NC(=O)Nc1cccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587242739 YPWCFJDGZCNLQA-UHFFFAOYSA-N 338.264 3.878 0 1 EHAF O=C(/C=C/c1nc2cc(C(F)(F)F)cnc2[nH]1)Nc1ccccc1 587245504 YMVPAUQIQYHGKX-VOTSOKGWSA-N 332.285 3.629 0 1 EHAF COc1cccc(-c2cc([C@@H](N)NO)nc3c2oc2ccccc23)c1 587363125 QDAAKPJJJDJDLF-IBGZPJMESA-N 335.363 3.593 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)cc(F)c1F)[C@@H](C2)C3=O 587424757 UGMXHZIWZIKSHO-KPZWWZAWSA-N 334.293 3.775 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(F)cc4c1OCCC4)[C@@H](C2)C3=O 587428785 PLVQAWFCKFEDJP-XOBRGWDASA-N 340.350 3.648 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)c4cc(C)ccc14)[C@@H](C2)C3=O 587431027 LONGDCUQYZBSLB-YCRPNKLZSA-N 333.387 3.984 0 1 EHAF CCc1ccc(OC)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587440796 BANGZHHEPSBZOZ-IIBYNOLFSA-N 338.403 3.929 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc3nn(C)cc13)CC2=O 587477342 QPBBVSOUFOZRFL-IBGZPJMESA-N 336.391 3.938 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1nccnc1CC)CC2=O 587490749 ZIRZEKDEXYVNPQ-IBGZPJMESA-N 326.396 3.578 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(CC1(C(=O)O)CCC1)CC2=O 587492740 YJTUVIJPJIIAPV-GOSISDBHSA-N 332.396 3.714 0 1 EHAF O=C(O)c1ccc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529405 BMZQSTRBKLDWEB-GOSISDBHSA-N 338.359 3.676 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1 587607336 IALUSXSEDLJMTA-XLIONFOSSA-N 334.327 3.801 0 1 EHAF 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CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C 12493639 QPLFSAZMHUAMKE-INFZVHENSA-N 334.500 3.710 0 1 EHAF CCCCCCC1=NOC[C@@]1(C)C(=O)NCc1ccccc1OC 4295230 IPKIKQBUOXDNPI-LJQANCHMSA-N 332.444 3.674 0 1 EHAF CC(C)(C)CC/N=c1/c(-c2ccc(C(F)(F)F)cc2)c(O)c1=O 101022999 SEYDXARVTAEXOU-BKUYFWCQSA-N 325.330 3.651 0 1 EHAF COc1ccc(-n2nc3c(cnc4ccc(Cl)cc43)c2O)cc1 100726342 WSISIXWASQRSDO-UHFFFAOYSA-N 325.755 3.941 0 1 EHAF C[C@@H](Oc1cccc2ccccc12)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100752403 SYHSXECRAFMSGC-PVAVHDDUSA-N 339.435 3.776 0 1 EHAF CO[C@H]1C[C@@H](CC(=O)O)N(c2ccc(Oc3ccccc3C)cc2)C1 116640494 ICLVOAQOGKOXII-WMZOPIPTSA-N 341.407 3.856 0 1 EHAF Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3)o2)cc1C 66113998 GUTPDQJXUCPAHD-CQSZACIVSA-N 337.379 3.759 0 1 EHAF CNCCCN1CCSc2cc(NC(=N)c3cccs3)ccc21 113970938 RBSUARBYNZSWNQ-UHFFFAOYSA-N 346.525 3.707 0 1 EHAF COC1=CC(c2ccc[nH]2)=NC1=Cc1[nH]c(-c2ccc[nH]2)cc1OC 2356586226 QEVDCWRFEOZGOP-UHFFFAOYSA-N 334.379 3.721 0 1 EHAF 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JNBWZDNHBGVYCJ-UHFFFAOYSA-N 346.390 3.722 0 1 EHAF Fc1ccc2[nH]nc([C@H]3c4c(F)cccc4C[C@@H]4CCCN43)c2c1 963115641 VWLWXDHGGSOEAF-ORAYPTAESA-N 325.362 3.951 0 1 EHAF COc1cncc(CC[C@H]2c3ccc(F)cc3C[C@H]3CCCN23)c1 963110160 QPGAZDGXOPMMEX-XLIONFOSSA-N 326.415 3.924 0 1 EHAF CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(F)cc2F)C1 5560591 PODWDIABNHWHEZ-MLGOLLRUSA-N 329.412 3.554 0 1 EHAF Nc1cccc(-c2ccc(OCCN3CCCC3)c3ccccc23)n1 13559824 YGNDGXONMOELRB-UHFFFAOYSA-N 333.435 3.959 0 1 EHAF O=C(Nc1nc(-c2ccccn2)nc2ccccc12)c1ccccc1 13781364 JQMAQOJNNLVOTP-UHFFFAOYSA-N 326.359 3.944 0 1 EHAF O=C(Nc1ccc(Cl)cn1)c1noc2c1CCc1sccc1-2 15733242 WRTHEAMPTBPBCE-UHFFFAOYSA-N 331.784 3.802 0 1 EHAF O=C1[C@H]2CC[C@@H]3C(=O)C(Cl)(Cl)[C@@H]3CC[C@@H]2C1(Cl)Cl 1642229 OJSQVYQBBPSAHU-DKXJUACHSA-N 330.038 3.538 0 1 EHAF Oc1ccc2nc(CN3CCC(Cc4cccc(F)c4)CC3)[nH]c2c1 13560455 MCPJEMSOWLNCCI-UHFFFAOYSA-N 339.414 3.862 0 1 EHAF COC(=O)c1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1 14964267 UZPAVLYUTWNUSX-UHFFFAOYSA-N 340.408 3.627 0 1 EHAF COc1ccc(CC(=O)c2ccccc2C(=O)N2CCCCC2)cc1 26252460 FPFLTLQIGFDCGR-UHFFFAOYSA-N 337.419 3.747 0 1 EHAF COc1cccc(NC2=NC(C)(C)Nc3cc(OC)c(OC)cc32)c1 26393423 QVEBABIBKILGLO-UHFFFAOYSA-N 341.411 3.733 0 1 EHAF N=c1sc2c(n1CC(=O)c1ccc(C(F)(F)F)cc1)CCCC2 28528117 LVBPJOGIFSJINJ-UHFFFAOYSA-N 340.370 3.810 0 1 EHAF O[C@]1(c2ccc(Cl)cc2)CCN(CCc2c[nH]c3ccccc23)C1 40863438 PRUAALOHVVCQPZ-HXUWFJFHSA-N 340.854 3.957 0 1 EHAF in-vitro Cc1ccc2c(c1)c1c(n2CCc2scnc2C)CCN(C)C1 95556944 GDHAOICWFSXJCG-UHFFFAOYSA-N 325.481 3.945 0 1 EHAF O=C(Nc1ccccc1)c1cc(-c2cnccn2)nc2ccccc12 95573615 OPPGZSNTZPUSFU-UHFFFAOYSA-N 326.359 3.944 0 1 EHAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3cccs3)ccc12 96905438 PWAARORPZKTDIE-QGZVFWFLSA-N 342.445 3.677 0 1 EHAF CN(C)CCCOc1nc2c(-c3ccccc3)cnn2c2ccccc12 96933149 KGYDBWWYBXNMOT-UHFFFAOYSA-N 346.434 3.880 0 1 EHAF O=C(O)CC[C@H]1CCCc2[nH]c(/C=C3\C(=O)Nc4ccccc43)cc21 101087139 YJTRJTNNIPXFJB-COOUDCDJSA-N 336.391 3.792 0 1 EHAF Cc1cccnc1NC(=O)Nc1cccc2c1[C@@H]1CCCCN1C2=O 118091648 YWZXVOUKTPVGKU-HNNXBMFYSA-N 336.395 3.715 0 1 EHAF O=c1[nH]nc(-c2ccc3[nH]cc(-c4ccc(F)cc4F)c3c2)s1 204766338 ANHCZPUIUBMDSC-UHFFFAOYSA-N 329.331 3.925 0 1 EHAF Cc1cc(OCCCN2CCC(C)CC2)nc(-c2ccccc2)n1 299838568 QPVMNTXKEPCQRH-UHFFFAOYSA-N 325.456 3.953 0 1 EHAF CCOC(=O)Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989319 DUPPYGQMSVHCMM-UHFFFAOYSA-N 347.370 3.566 0 1 EHAF Cc1c(F)ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 586998032 WKCULGPETYEHFS-CQSZACIVSA-N 335.176 3.855 0 1 EHAF Cc1ccc2c3c(cc(CN4CCOCC4)nc13)-c1ccccc1C2=O 587097833 QGDNDAFIFUGUOU-UHFFFAOYSA-N 344.414 3.587 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ncccc1OC)CC2=O 587488694 RMSMLHUOMMWYKO-IBGZPJMESA-N 327.380 3.629 0 1 EHAF CCCC[C@]1(C(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602368 JNZKBIXEOCOVPU-FXAWDEMLSA-N 340.375 3.872 0 1 EHAF COC(=O)C(=O)c1c(-c2ccncc2)[nH]c2c(C)cc(Cl)cc12 587626954 YKTUDYLIISHATP-UHFFFAOYSA-N 328.755 3.547 0 1 EHAF C[C@@H]1C(=O)[C@@]2(C[C@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587818171 CIXSPRCMHHXJHP-PXTZTZFBSA-N 340.236 3.563 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H]2CCCO2)N1 587832963 LUQCZEQMPLKEKQ-RSAASHCRSA-N 342.252 3.907 0 1 EHAF NC(=O)/C(=C\c1ccccc1O)c1nc(-c2ccc(F)cc2)cs1 587921878 DQYXRECPKAFOEV-NTEUORMPSA-N 340.379 3.681 0 1 EHAF COc1ccc([C@H](C(=O)NC2CCCC2)N2CCC[C@H](C)C2)cc1 621442486 ZZHFTMFQSLAOAG-HNAYVOBHSA-N 330.472 3.527 0 1 EHAF COCc1cc([C@H]2NCCc3c(OC)ccc(Cl)c32)ccc1OC 963257653 MHMQJGXWXWFYQD-LJQANCHMSA-N 347.842 3.739 0 1 EHAF COc1cc2c(c(OC)c1OC)[C@@H](c1ccccc1Cl)NC(=O)N2 1857644544 MISFASNNPCWRIV-CQSZACIVSA-N 348.786 3.590 0 1 EHAF Cc1cc(=O)c(O)c([C@@H](O)c2ccc(/C=C/c3ccccc3)cc2)o1 1857770764 XHXRTVHZUVAOJS-UCFODXPJSA-N 334.371 3.906 0 1 EHAF Cc1ccc(C)c(NC(=O)[C@H]2CCCN2C(=O)NC2CCCCC2)c1 1359187 NXIKVPNMIJLGKK-GOSISDBHSA-N 343.471 3.749 0 3 EHAF C[C@H]1[C@@H](NCc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713359 PYROSQDZCXTVTC-BOFXEDATSA-N 326.484 3.736 0 3 EHAF CC[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C)[C@@H]4CC1)[C@H]32 2356383711 VTDXGWFEGNRRSX-AYWYSENESA-N 326.484 3.810 0 1 EHAF CC/N=c1\c(NC(=O)C2CCC(C)CC2)c(O)oc2ccccc12 6823452 JVCWRKMIWPGDQE-SILNSSARSA-N 328.412 3.824 0 1 EHAF Cc1ccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)c(C)c1 29478267 GATROASBDNPUEG-UHFFFAOYSA-N 349.360 3.576 0 1 EHAF CO[C@@]1(C)C[C@H](c2ccccc2)c2c(c3cccc(O)c3oc2=O)O1 27560931 ZYGQQWWTOAMQBQ-JLTOFOAXSA-N 338.359 3.776 0 1 EHAF Brc1ccccc1C[C@@H](c1ccccc1)N1CCNCC1 36093240 KVNXQYJMNFSXRE-SFHVURJKSA-N 345.284 3.638 0 1 EHAF in-vivo CCC[C@@H]1C[C@H]2[C@H](CC(=O)OC)[C@H](Cc3ccccc3)C[C@@H]1N2C 36177345 NYHLSJFRSGAHTE-UEDWAMCQSA-N 329.484 3.917 0 1 EHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](N)(C1CCCCC1)C(=O)N2 219377162 TYYNTGOPTCKZTN-LJQANCHMSA-N 325.412 3.645 0 1 EHAF CC[C@@H](C)c1nc2nc(N(CC(C)C)CC(C)C)ccc2[nH]c1=O 82231698 GCDNOKAUFOLDDV-CQSZACIVSA-N 330.476 3.950 0 1 EHAF Nc1ccc(O)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 299835616 MCHHKMCZDVCVBP-UHFFFAOYSA-N 329.359 3.749 0 1 EHAF O=c1c2sc3ccccc3c2nnn1-c1ccc(F)c(Cl)c1 299834038 AZWKVNKDMMPSDB-UHFFFAOYSA-N 331.759 3.788 0 1 EHAF C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 299819578 IGTBWNRPQOIMSD-HGSZHJPXSA-N 347.499 3.845 0 1 EHAF CCOC1CC([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587603085 ZUYLXMBEWMJMNO-MFKVBOFJSA-N 340.375 3.538 0 1 EHAF Fc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F 587042994 XBMJPGZZSCARNL-HZPDHXFCSA-N 331.391 3.787 0 1 EHAF CC[C@@H](CCC(=O)OC)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527008 VSTOXHQTHLKWBD-UGSOOPFHSA-N 330.424 3.879 0 1 EHAF COCCCc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441723 LYWJXULCXQQDGD-DYESRHJHSA-N 338.403 3.763 0 1 EHAF Sc1nc(S)c2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2n1 587085600 WFXMQTNCVRWXHI-UHFFFAOYSA-N 345.840 3.799 0 1 EHAF CC[C@@]1(c2ccc(C(=O)O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587409830 WUXJUZUSGGMLHE-IBGZPJMESA-N 325.364 3.546 0 1 EHAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 586885223 BRIRDCJHHVYOKF-QLJPJBMISA-N 328.343 3.546 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc(C)cc1)CC2=O 587492941 ZNNFMPHZCZXVNR-FQEVSTJZSA-N 326.392 3.506 0 1 EHAF CCS(=O)(=O)c1ccc2nc(-c3sc(C4CC4)nc3C)[nH]c2c1 587011043 APAZZQSBGNDTBL-UHFFFAOYSA-N 347.465 3.666 0 1 EHAF Cc1c(-c2cc(F)c(F)c(F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649896 MLZPEDGSHZNOSA-UHFFFAOYSA-N 339.338 3.964 0 1 EHAF Cc1cncc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587030002 VPGQWWHNSXIYBR-UHFFFAOYSA-N 346.419 3.788 0 1 EHAF CCC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)COC1 587832054 AVJVSUHEPXUAJI-YMTOWFKASA-N 328.225 3.590 0 1 EHAF CC(C)OCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592349 GRTBHJOZEZDYRX-XLIONFOSSA-N 342.391 3.928 0 1 EHAF CCc1cc(O)nc(SCc2nc3cc(C)c(Cl)cc3[nH]2)n1 586967008 RGFVITVGRLKJJX-UHFFFAOYSA-N 334.832 3.875 0 1 EHAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587932222 WBCGQVRHNQGHSW-CWTRNNRKSA-N 340.354 3.854 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CC(=O)c2cccnc2)N1 962961620 XQANZVGYTKLIJB-YCRPNKLZSA-N 333.435 3.975 0 1 EHAF O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc(Cl)ccc1O 1639555824 QSUIVGFCESPKHM-UHFFFAOYSA-N 332.762 3.639 0 1 EHAF Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 12464887 ZERLGUKUJNNCCS-CYBMUJFWSA-N 331.799 3.977 0 3 EHAF O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1N(CC1CCC1)CC3 13532272 OOATVKPPMTVMQN-HFSMHLIXSA-N 325.452 3.891 0 1 EHAF CCCCN1CCC(COC(=O)c2cccc3c2OCCCO3)CC1 13732257 NYHDPNCXJLDGDU-UHFFFAOYSA-N 347.455 3.517 0 1 EHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1CCC(=O)C3 169298981 NNUUOAQJUHMLDS-KSEOMHKRSA-N 339.479 3.733 0 1 EHAF CN(C)CCNc1nc2ccccc2nc1-c1nc2ccccc2s1 1857741870 NQQCPYPGVFAEMZ-UHFFFAOYSA-N 349.463 3.880 0 1 EHAF CCc1ccc(NC(=O)N(CCN(C)C)[C@@H](C)c2cccnc2)cc1 262130 ZOOFQSUBSINCNH-INIZCTEOSA-N 340.471 3.801 0 3 EHAF C[C@]1(C(=O)NC2CCCCCC2)CCC(=O)N1Cc1ccc(F)cc1 427053 UMFKUUXTQXLIOB-HXUWFJFHSA-N 346.446 3.546 0 1 EHAF CCCC[C@H](O)CCCCCC[C@H](C=CC(=O)O)N=c1cc[cH-][nH]1 2356296995 PJTWZAYRIXGWTR-SJORKVTESA-N 335.468 3.535 0 1 EHAF Cc1nn2c(O)cc(-c3ncccn3)nc2c1-c1ccc(Cl)cc1 1911582052 ZSUIYRNAKVXUIM-UHFFFAOYSA-N 337.770 3.521 0 1 EHAF Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)nc1 103183466 MZHUEGLWNWVKBO-UHFFFAOYSA-N 346.312 3.847 0 1 EHAF CCOC(=O)[C@@H]1[C@@H](c2ccc3c(ccn3CC)c2)C[C@@H]2CC[C@@H]1N2C 100875659 CVPBQVINTITVFJ-KVPLUYHFSA-N 340.467 3.791 0 1 EHAF COC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@@]12C 58563337 SZAGBXYCBORFKQ-VLGLRNQCSA-N 334.456 3.581 0 1 EHAF CC[C@@H](C)C(=O)C(=O)NCCc1c(-c2cccnc2)[nH]c2ccccc12 29465834 VTKDECRRGTYHBN-CQSZACIVSA-N 349.434 3.504 0 1 EHAF Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCC2)c1 34819352 TWZLGHODZAWAGP-UHFFFAOYSA-N 342.439 3.869 0 1 EHAF COc1ccc2c(c1OC)NC13CCC4(CCCN5CC[C@]21[C@H]54)CC3 13373747 CUWCJMATGRBAQN-WCHWRFHJSA-N 340.467 3.548 0 1 EHAF biogenic COc1cc2c(c(OC)c1O)C[C@@H]1[C@@H](C2=O)c2ccccc2C1(C)C 13383521 XIHRWFBCNJIXNK-WBVHZDCISA-N 338.403 3.839 0 1 EHAF biogenic CC(=O)n1c(=O)n(Cc2cc(C)cc(C)c2)c2cc(Cl)ccc21 40916555 PEHXRYLTWWSVNH-UHFFFAOYSA-N 328.799 3.782 0 1 EHAF CC(=O)Nc1cc(-c2cc(C)cc(C)c2)nc(-n2nc(C)cc2C)n1 40421576 MTHGBVNUWKGCGT-UHFFFAOYSA-N 335.411 3.521 0 1 EHAF FC(F)(F)c1ccccc1-c1nnc2ccc(-n3cccc3)nn12 82060601 FEVRSRIUFHWCLE-UHFFFAOYSA-N 329.285 3.601 0 1 EHAF CC(=O)[C@@]12[C@@H](c3ccccc3)NC(=O)N3CC[C@H]([C@@H]1c1ccccc1)[C@@H]32 195487063 ALNREWIJIWNNFA-BEZXDORVSA-N 346.430 3.514 0 1 EHAF COc1ccc2c(c1)SCc1c[nH]c(=NCc3ccccc3)nc1-2 473145360 QDRIJABFPYKRMA-UHFFFAOYSA-N 335.432 3.792 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3ccc(F)cc31)O2 587384539 LVSYLYMSMLZLRB-LJQANCHMSA-N 327.355 3.750 0 1 EHAF CO/C=C/[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346016 AQLAFRGDNDJHIQ-NYPDKFTISA-N 328.339 3.809 0 1 EHAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587169541 YSLXQDSWAXQGTP-NSHDSACASA-N 327.359 3.544 0 1 EHAF COc1cc2c3c(c1)O[C@H](CCc1cccc(F)c1C)[C@@H](C2)C3=O 587424439 OGMRPDNOWSJWKT-NVXWUHKLSA-N 326.367 3.892 0 1 EHAF O=C1c2ccccc2-c2cc(C3C(=O)CCCC3=O)nc3cccc1c23 587208237 SYFRQBRZYWQQJY-UHFFFAOYSA-N 341.366 3.852 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CN(C)C)N1 587739899 HZQWFKVQECWFMC-MEBBXXQBSA-N 343.284 3.751 0 1 EHAF Cc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587852177 DPRJDCMPSGDLNI-UHLUBPPHSA-N 341.249 3.977 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCC[C@H](c4cccnc4)C1)[C@@H](C2)C3=O 587436176 MVYJHENCQRBLTB-GTXQTCRKSA-N 335.403 3.934 0 1 EHAF Fc1cc(Br)ccc1-c1nc2cc3c(cc2[nH]1)OCO3 587142588 GTXIZYFPWBMPMU-UHFFFAOYSA-N 335.132 3.860 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccnc1Cl)[C@@H](C2)C3=O 587421193 ODDSHJQWALQSOS-BJOHPYRUSA-N 336.174 3.886 0 1 EHAF Cc1csc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587614471 SQCMJZHHNVEBFK-PBHICJAKSA-N 339.372 3.860 0 1 EHAF CC1=NN2C(=O)[C@H](C)Oc3c(Br)cc(Cl)cc3[C@@H]2C1 1857747811 QJKLJVOOGFRFBC-CPCISQLKSA-N 343.608 3.533 0 1 EHAF Cc1nc(C(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)cs1 12306492 WAXPWQSDFZNSFV-INIZCTEOSA-N 329.469 3.785 0 3 EHAF CCN(CC)C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 13740273 HVKNYGIHMRFIPC-MLHJIOFPSA-N 334.891 3.775 0 1 EHAF C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](C)[C@@H](O)c1ccc2c(c1)OCO2 14646567 SDXLCXZRXWWAGW-MRRFBWAASA-N 342.391 3.692 0 1 EHAF endogenous,in-man O=C(c1cccc(F)c1)N1CCC2(CC1)CN(Cc1ccccc1)C2 3956314 UFHJCGVJTMIISN-UHFFFAOYSA-N 338.426 3.564 0 1 EHAF COC(=O)NCCc1ccc(OC)cc1C=Cc1ccc(OC)cc1 2356430377 TVEXPIGSANSGBA-UHFFFAOYSA-N 341.407 3.773 0 1 EHAF COc1ccc([C@H](C)Cn2ccnc2O)cc1O[C@@H]1C[C@@H]2CC[C@@H]1C2 100906553 GWUQKOQGKGTLBN-GZOSKZMVSA-N 342.439 3.968 0 1 EHAF O=C1Cc2ccccc2N1[C@@H]1C[C@H]2C[C@H](C1)N(Cc1ccccc1)C2 101376227 KMSRSLBWGAQZCH-MISYRCLQSA-N 332.447 3.629 0 1 EHAF N#CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21 53000917 UKEIFJKFCFJJOR-UHFFFAOYSA-N 333.435 3.863 0 1 EHAF Cc1ccc(Cn2[nH]cc3nc(-c4ccc(-n5ccnc5)cc4)nc2-3)o1 103584472 QJOUIUUOQBCDNR-UHFFFAOYSA-N 344.378 3.513 0 1 EHAF C=Cc1c(-c2ccccc2)nn(C)c(=O)c1NCCc1ccccc1 28655284 ITITUVYHOPGAEN-UHFFFAOYSA-N 331.419 3.745 0 1 EHAF Nc1nc(=O)[nH]c2c1[C@H](c1ccccc1)c1ccc3ccccc3c1O2 103290770 RCBCWBCBQCVADP-MRXNPFEDSA-N 341.370 3.791 0 1 EHAF CCCN1c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2OC[C@H]1CC 28953778 HBQWNCDTSSINCD-SNVBAGLBSA-N 340.345 3.934 0 1 EHAF O=c1cc(Cn2ccnc2)c2ccc(Oc3cccc(F)c3)cc2o1 66124462 MIDTWNZTIOXMOF-UHFFFAOYSA-N 336.322 3.969 0 1 EHAF Cn1nc(C(C)(C)C)cc1NCc1coc(-c2ccc(O)cc2)n1 72180233 WKFRGCSBLNKNSS-UHFFFAOYSA-N 326.400 3.690 0 1 EHAF CC1(C)C=Cc2cc([C@@H](O)n3cc(-c4ccccc4)nn3)ccc2O1 72178625 OWZVURAUHWKPFP-LJQANCHMSA-N 333.391 3.669 0 1 EHAF NC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O 43068878 XLSKYJYTEGNOBA-UHFFFAOYSA-N 329.359 3.762 0 1 EHAF in-vitro CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)[C@@H](C(=O)OC)C1)C2 14829287 JFLTVMWSBAMWAW-LAUBAEHRSA-N 340.467 3.863 0 1 EHAF biogenic COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1ccccc1O[C@@H]3C 40875750 FQHXWJRYPIJDJT-LLVKDONJSA-N 337.375 3.676 0 1 EHAF COC(=O)C1=C[C@]2(c3ccc(OC)cc3[C@@H](OC)[C@H]2C)[C@H]2C=C[C@H]1C2 195344623 UTUGSVCJDIQAGE-LIPMLEPZSA-N 340.419 3.576 0 1 EHAF CN(C)c1ccc(CN2CC[C@@H](c3nc4ccc(F)cc4[nH]3)C2)cc1 51048207 NJBSSJMSDXZFEO-OAHLLOKOSA-N 338.430 3.758 0 1 EHAF biogenic Cc1cc(C)c(-n2c(C)nc3c(cnn3-c3ccccc3)c2=O)c(C)c1 473247926 JRDALRXHIGYAGK-UHFFFAOYSA-N 344.418 3.805 0 1 EHAF COC(=O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1OC 587028502 YPYYYWFSPKNHEU-UHFFFAOYSA-N 348.449 3.853 0 1 EHAF Cc1ccnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 587006246 KFPSHZXBCOQEPQ-UHFFFAOYSA-N 327.185 3.949 0 1 EHAF CCO[C@H](C)c1nc(C)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)s1 587014057 GVGLJZCTVZMZRH-MRVPVSSYSA-N 343.412 3.674 0 1 EHAF COc1ccc(C[C@H](C)c2nc3ccc(Cl)nc3[nH]2)cc1OC 587927414 UJSZAYLWEBYEJU-JTQLQIEISA-N 331.803 3.975 0 1 EHAF COc1cc2c3c(c1)O[C@@H](C(C)(C)CN1CCC(C)CC1)[C@@H](C2)C3=O 587438647 QKYWWNSUWZHJAW-OXJNMPFZSA-N 343.467 3.569 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccc3)nc1)O2 587393018 AVMJBDDJTUUUBZ-GOSISDBHSA-N 331.375 3.741 0 1 EHAF COc1ccc(CCCc2nc3cncc(Cl)c3[nH]2)cc1OC 587925669 GIWWCMNQXKGOJA-UHFFFAOYSA-N 331.803 3.804 0 1 EHAF CC[C@@]1(c2ccc3c(c2)CCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451556 IDKFRMMGVNMZNX-IERDGZPVSA-N 336.387 3.683 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cn2)N1 587735308 TULWCGWMLYMOKV-GLEZIHRCSA-N 339.183 3.746 0 1 EHAF Fc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c(F)c1F 587123978 MDWAHZSVHYSYIT-UHFFFAOYSA-N 329.228 3.686 0 1 EHAF CCCC1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCC1 586877576 FELXHOJTEUNXDY-UHFFFAOYSA-N 337.427 3.844 0 1 EHAF COC(C)(C)C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587792736 MGZHQCLTNAECCG-JOYOIKCWSA-N 330.241 3.979 0 1 EHAF COc1ccc2c(c1)[C@@]1(C)Cc3c(CO)noc3C(C)(C)[C@@H]1CC2 1772616141 WESGQEQEACZLGZ-FXAWDEMLSA-N 327.424 3.530 0 1 EHAF O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 13133471 HKQNHESHJCTPJH-HYRRULHTSA-N 328.195 3.679 0 1 EHAF CC1=NC(=S)N[C@H](c2cccs2)[C@@H]1C(=O)Nc1ccccc1C 169689999 UCGKQOANRVJJAT-HUUCEWRRSA-N 343.477 3.702 0 1 EHAF CC(=O)Nc1sc2c(c1-c1nc3cc(F)ccc3s1)CCNC2 1857615744 OGPXKWPTGHRLHX-UHFFFAOYSA-N 347.440 3.768 0 1 EHAF COC(=O)C/C=C/[C@@H](C)[C@@H](Cc1ccccc1Br)OC 8682236 OEXFZJIMWVCZMM-LWAQFNMXSA-N 341.245 3.762 0 1 EHAF CCS(=O)(=O)c1ccc2oc(-c3ccc4[nH]ccc4c3)nc2c1 59097899 SMWSLHSQQJCGDF-UHFFFAOYSA-N 326.377 3.770 0 1 EHAF Oc1cc2[nH]c3c(C4=NCCC4)nccc3c2cc1Br 2356320931 ZIOAAXSKSCIUQX-UHFFFAOYSA-N 330.185 3.767 0 1 EHAF CCOC(=O)[C@@H]1[C@@H](c2ccc3c(ccn3CC)c2)C[C@@H]2CC[C@H]1N2C 27527190 CVPBQVINTITVFJ-ONCXSQPRSA-N 340.467 3.791 0 1 EHAF COC(=O)C[C@]1(C)CC[C@]2(OC(=O)C[C@H]3C(C)(C)CCC[C@]32C)O1 2356529412 GLAMGKFUSHSJAV-YFYLHZKVSA-N 338.444 3.594 0 1 EHAF COc1ccc2c(c1N)CCC=C2c1cc(OC)c(OC)c(OC)c1 34007802 MKAJNQGWJAFIBW-UHFFFAOYSA-N 341.407 3.681 0 1 EHAF COc1cc(C)c2nc3[nH]nc(C)c3c([C@@H](O)c3ccccc3)c2c1 73200377 WSTGMPPXVXPWAQ-IBGZPJMESA-N 333.391 3.818 0 1 EHAF CC(C)NC(=O)N(c1ccc(F)cc1)c1ccnc(NC(C)C)n1 40763374 XFRROYWYWLLETL-UHFFFAOYSA-N 331.395 3.692 0 1 EHAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)nc1 142456437 ASSPIKQZPRLGDN-SECBINFHSA-N 343.185 3.611 0 1 EHAF COc1ccc(C[C@@H]2C(c3cccnc3)=N[C@@H]3CC[C@H]2C3)c(OC)c1 96938712 GPGGKQZICYGAAI-YJLNNSPDSA-N 336.435 3.929 0 1 EHAF CC[C@]1(C(=O)N[C@H](C)[C@@H]2CC2(Cl)Cl)[C@H](C)C1(Cl)Cl 299847803 RQLQTDYMCOZYRT-CHIQAWFVSA-N 333.086 3.905 0 1 EHAF C[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN2C1=O 653692037 NYYBLRBTEDPENR-BZNIZROVSA-N 326.783 3.799 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC1(COC1)C3 587209416 PKLBRFXFDUNZMF-UHFFFAOYSA-N 327.383 3.952 0 1 EHAF COC(=O)CCCC[C@H](C)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440842 BLQWLOZOAZKOCJ-VHPWJVAPSA-N 346.423 3.571 0 1 EHAF Cc1nccc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 587078961 DQRLAGLOQRXGFB-ZDUSSCGKSA-N 325.803 3.644 0 1 EHAF Cc1onc(-c2nc3ncc[nH]c-3n2)c1COc1ccccc1Cl 587063644 RGIVRPWRNHJPKU-UHFFFAOYSA-N 341.758 3.500 0 1 EHAF C[C@@H](F)[C@H](N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587122255 CEDMUXQAFQGGLO-VHWMUFPASA-N 340.118 3.702 0 1 EHAF Brc1c[nH]c2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc-2n1 586885456 UZLFEHFAPPPDHR-AMDHYVTDSA-N 333.233 3.535 0 1 EHAF CCCC[C@@H](O)[C@@]1(CCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452466 VAEPNQHRTLXRBF-MDYRTPRTSA-N 332.440 3.923 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Cl)c(CO)n1 587870863 KFGFAJNBFOIKCY-UHFFFAOYSA-N 347.777 3.618 0 1 EHAF Oc1nc(O)c2ccc(-c3cccc(Oc4ccccc4)c3)nc2n1 587561633 SVPSGOPQHNGHNK-UHFFFAOYSA-N 331.331 3.895 0 1 EHAF COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)oc1C 587532691 MXRMHGWWISQYJB-GOSISDBHSA-N 340.375 3.960 0 1 EHAF CC(C)(O[C@@](C(=O)O)(c1ccccc1)c1ccc(Cl)cc1)C(=O)O 169343453 NJZZFWWWTJNJEN-SFHVURJKSA-N 348.782 3.548 0 1 EHAF COc1cc([C@@H]2NCCc3ccc(O)cc32)ccc1OCC=C(C)C 963351367 GTYADTMFHLPHAO-NRFANRHFSA-N 339.435 3.981 0 1 EHAF CC(C)(C)c1ccc(CN(Cc2cccs2)n2cncn2)cc1 5950658 MQLREQDMUMFFGH-UHFFFAOYSA-N 326.469 3.976 0 1 EHAF CC(=O)NCCc1c[nH]c2ccc(OCCCc3ccccc3)cc12 169333383 NWHYEFMMIIPWTL-UHFFFAOYSA-N 336.435 3.858 0 1 EHAF CC[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CCCC(=O)O 169622106 XFYXZNAYFJZWSH-KYMDWNKJSA-N 334.456 3.934 0 1 EHAF C[C@H](Cc1ccc(OCc2ccc(Cl)cc2)cc1)N(C)CC(=O)O 1857767661 NEVTVFZDDMXSEZ-CQSZACIVSA-N 347.842 3.866 0 1 EHAF CC(C)(C)CN1CC[C@H](CC(=O)O)[C@@H](Cc2nc3ccccc3[nH]2)C1 2356312519 DLMORKCFINWIRD-CABCVRRESA-N 343.471 3.564 0 1 EHAF COc1ccc(-c2cc(C(F)(F)F)nc(-n3cc(C)cn3)n2)cc1 2466107 LIGOGCYRDCNSSQ-UHFFFAOYSA-N 334.301 3.665 0 1 EHAF CC(=O)N1CCC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26945067 PAPPHBRFOXAGKW-IVECGHKRSA-N 333.516 3.991 0 1 EHAF C[C@H]1CC[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CCC2)[C@H](C4)[C@@H]13 26715995 KWLWXFFESXKWNZ-BJPKZRLKSA-N 339.479 3.868 0 1 EHAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@@]1(C)[C@H](C(=O)CC[C@H]1C)[C@@H]2O 2356615260 BNWIGXGAONVBGL-OSZBCMERSA-N 348.439 3.887 0 1 EHAF CCC(=O)N1c2ccccc2[C@@H]2CN(CCc3ccccc3)CC[C@@H]21 36216084 KIEDKQOTIJJPES-FPOVZHCZSA-N 334.463 3.844 0 1 EHAF COc1ccc(F)cc1-c1ccc2c(c1)N(CC1CC1)C(=O)COC2 74374889 GKQCMYXLWGWUCN-UHFFFAOYSA-N 341.382 3.775 0 3 EHAF COc1cc([C@H](O)[C@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)ccc1O 14646636 GSIZVLCQLAZSSP-MRRFBWAASA-N 344.407 3.678 0 1 EHAF biogenic O=S(=O)(c1ccccc1)N(c1ccc(O)cc1)c1ccc(O)cc1 40976494 GGDVYAAOTWPRCA-UHFFFAOYSA-N 341.388 3.625 0 1 EHAF Cc1cc(O)cc2oc(=O)cc(CSc3nc4ccccc4[nH]3)c12 96910557 KPMCCNISDIONNP-UHFFFAOYSA-N 338.388 3.976 0 1 EHAF O[C@@H](C[C@@H](O)CSc1nc2ccccc2s1)c1ccccc1 95785025 JMWBBAHHMDMYOL-HIFRSBDPSA-N 331.462 3.873 0 1 EHAF C[C@H]1O[C@@H](CCc2cccc(Cl)c2)Cc2[nH]c(=S)[nH]c(=O)c21 95602312 QJGGWLCEZDOFTP-SKDRFNHKSA-N 336.844 3.721 0 3 EHAF CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1 96269679 CSWXXYOKFXHTOD-SFHVURJKSA-N 325.408 3.517 0 1 EHAF Cc1ccc(CN2CC[C@@]2(C)C(=O)N[C@H]2CCc3ccccc32)cc1 254044363 FFYCKUCVUJACLO-UNMCSNQZSA-N 334.463 3.763 0 3 EHAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(C(C)C)cc1 253633402 KAPVAOFZIVUJFB-BYQVLKJJSA-N 325.452 3.849 0 1 EHAF CCc1ncccc1Oc1cc(CC(C)C)cnc1NC(=O)NC 299819656 BALRZLCXFDPYFL-UHFFFAOYSA-N 328.416 3.781 0 1 EHAF CCCCOC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 299808452 UITXTNXEIFGSBI-JLJPHGGASA-N 330.428 3.954 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)cc2)N1 587748035 TVZZDUNRMCCRLV-QGHHPUGFSA-N 349.247 3.968 0 1 EHAF Cc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1F 587038777 BQHOEWZFFRVULN-SJORKVTESA-N 327.428 3.957 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1O)CC2=O 587484121 WPMXLLDHHJGEIA-QGZVFWFLSA-N 328.364 3.765 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(Cl)n1)CC2=O 587458838 BMOVSIGUGQCRBQ-OAHLLOKOSA-N 333.771 3.805 0 1 EHAF CC[C@@H]1C(=O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587817362 KSRXVAGOGXHXRB-ZYSBLVPFSA-N 340.236 3.707 0 1 EHAF COc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1F 587156797 QBBNJSLIWJRQSP-SFHVURJKSA-N 343.333 3.641 0 1 EHAF Cc1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587614472 SQCMJZHHNVEBFK-RHSMWYFYSA-N 339.372 3.860 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ncc[nH]1)(C1CCCCC1)O2 587398002 ZRQTVVZGRMFRLQ-IBGZPJMESA-N 325.412 3.741 0 1 EHAF COc1nccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587133706 AEADXHDVJHZMRR-NSCUHMNNSA-N 341.239 3.832 0 1 EHAF Cn1cc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)cn1 587629420 PILKIQLOAZSQHP-UHFFFAOYSA-N 327.693 3.863 0 1 EHAF Oc1nccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587195978 LORJYVHFQSBFBT-UHFFFAOYSA-N 330.391 3.870 0 1 EHAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(Cl)c(C)c2[nH]1 586922730 RPGBWRYFFCINAM-UHFFFAOYSA-N 334.828 3.985 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc3c1OC(F)(F)O3)O2 587382949 VXNPZKVPWKDMQI-KRWDZBQOSA-N 347.317 3.779 0 1 EHAF OCC12CCC(c3nc4cc(Cl)nc(Cl)c4[nH]3)(CC1)CC2 586895322 DYZPYZUVNPJLDO-UHFFFAOYSA-N 326.227 3.849 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cscn2)N1 587857272 ZHSUMSXDMPCQPR-XLKFXECMSA-N 341.249 3.842 0 1 EHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(F)cnc(Cl)c2[nH]1 587174212 GKPCUUQYVSAUAJ-LLVKDONJSA-N 347.756 3.613 0 1 EHAF CCOCc1ccc(-c2nc3nc(C)c(Br)cc3[nH]2)o1 586903090 LODHSRKDZXYXCK-UHFFFAOYSA-N 336.189 3.825 0 1 EHAF Cc1cccnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587767353 APCUUQCREUKVGO-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3nc(O)[nH]c3c2)N1 962963810 XEGSVSBUMSCJNG-KZULUSFZSA-N 332.407 3.764 0 1 EHAF COCc1cc([C@@H]2NCCc3c(OC)ccc(Cl)c32)ccc1OC 963257652 MHMQJGXWXWFYQD-IBGZPJMESA-N 347.842 3.739 0 1 EHAF CCCc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 8697863 OUYHGAMIDVMMIS-UHFFFAOYSA-N 326.421 3.988 0 1 EHAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)NCCCc1ccccc1 169354019 QYAXRPTVRYWGEX-HINBXAKRSA-N 335.403 3.734 0 1 EHAF O=C(NCc1cc(F)cc(F)c1)Nc1nc(-c2ccncc2)cs1 165444958 IHWNKPJPEKETTJ-UHFFFAOYSA-N 346.362 3.805 0 1 EHAF Clc1ccc(CN=c2nc3c(c[nH]2)CSc2ncccc2-3)cc1 1857599593 FKUXRCQPKMQTMD-UHFFFAOYSA-N 340.839 3.832 0 1 EHAF Cc1nc[nH]c1CCCCNC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C1(C)C 1857642944 QHSUSPBVSNKVPY-ROUUACIJSA-N 343.446 3.736 0 1 EHAF CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccncc1 3814248 RDJZUBCTKUBHFU-UHFFFAOYSA-N 337.467 3.737 0 1 EHAF CC[C@@H]1CCCN1Cn1cnc2c3cc(Cl)ccc3nc-2c1O 8680487 GQNIQVDSKGKUEL-GFCCVEGCSA-N 330.819 3.727 0 1 EHAF CN1CC[C@H]2[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)CCC[C@H]2C1 26189505 QEHYKCMIGAKKMG-ZENOOKHLSA-N 341.282 3.844 0 1 EHAF CC[C@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356553701 KKKOTCYOROYVJG-IRVQFTQWSA-N 334.500 3.566 0 1 EHAF C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](Oc1ccccc1Cl)CC2 36520836 MWHSRYBROGTQTJ-DYVFJYSZSA-N 343.858 3.599 0 1 EHAF CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@@]12CCCCCC2=O 49116417 ATKURRGKWDEHAC-NHCUHLMSSA-N 340.467 3.813 0 1 EHAF CC[C@H](O)C1=CCCC[C@@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 40862008 ZPCBCTMUZXBEBJ-HOTGVXAUSA-N 346.851 3.644 0 1 EHAF CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)C[C@H]1C1CCCC1 143955522 GTFBYEDJEHFGKP-FQEVSTJZSA-N 345.446 3.912 0 1 EHAF Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)O)cn1 142295995 GSYQJUXQFDAEFC-UHFFFAOYSA-N 344.754 3.976 0 1 EHAF COc1cc(-c2nc(-c3ccccc3)cnc2O)cc(OC)c1OC 299822520 CXRNTHYDCWARFR-UHFFFAOYSA-N 338.363 3.542 0 1 EHAF O=C1[C@@H](c2ccccc2)[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1 299821454 JHRCZSAGRUZCAI-PMACEKPBSA-N 331.371 3.970 0 1 EHAF COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1F 587210878 YAGXICIJPLQRIK-UHFFFAOYSA-N 337.350 3.775 0 1 EHAF COc1ccc(C2(c3nc4cc[nH]c(=N)c4[nH]3)CC3(CCC3)C2)cc1 587934580 DIFIHXAYJRUCNW-UHFFFAOYSA-N 334.423 3.629 0 1 EHAF CC[C@H](C)c1nc2c(Br)cnc(Br)c2[nH]1 587956817 WZLAMSKGZFFDMV-YFKPBYRVSA-N 333.027 3.996 0 1 EHAF CO[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586993649 YYKPCVJFLWKPPP-NSHDSACASA-N 331.371 3.656 0 1 EHAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)c(F)cc2[nH]1 587964189 ZRNPJOIKZFZZEZ-YUMQZZPRSA-N 325.181 3.622 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(C)c(C=O)n4ccccc14)[C@@H](C2)C3=O 587435766 JVVXALWFVYFPBL-LHSJRXKWSA-N 347.370 3.558 0 1 EHAF CCCc1c(O)ccc2c1O[C@](COC(C)=O)(C(C)(C)C)CC2=O 587481547 NGACZAWJHCTRBN-LJQANCHMSA-N 334.412 3.658 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)nc2)N1 587740988 ZYDFNTKHYXPVKV-VXJOIVPMSA-N 339.183 3.746 0 1 EHAF N=C(N)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 586980096 IMUZQTYPSZMXOS-UHFFFAOYSA-N 349.619 3.930 0 1 EHAF COc1ccc2c(c1)C[C@@H](c1nc3cc(OC)c(OC)cc3[nH]1)CC2 587944970 BYUJZTROIFLWIP-ZDUSSCGKSA-N 338.407 3.861 0 1 EHAF FC(F)(F)c1ncc2nc(CCc3ccccc3Cl)nc-2[nH]1 587057507 AJRDWJNHEBXYIZ-UHFFFAOYSA-N 326.709 3.762 0 1 EHAF Cc1cc(C)cc(OCc2nc3ccnc(Br)c3[nH]2)c1 587564620 MSOLDPQSAJZYMQ-UHFFFAOYSA-N 332.201 3.916 0 1 EHAF Cc1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2n1 587235071 FMZFDNDGHCYVMB-CHWSQXEVSA-N 330.432 3.817 0 1 EHAF C[C@H](CCc1ccccc1)[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962919747 LCVNTVZKDHMABA-ZNZDAUKMSA-N 327.399 3.735 0 1 EHAF COc1ccc2c(c1)[C@H](c1cnc(C)nc1C(F)(F)F)N[C@@H]1CC[C@@H]21 962991854 FSHVDXAAVXSOKN-APHBMKBZSA-N 349.356 3.751 0 1 EHAF CSCCNC(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 12431540 DGQPRWGVBOAZKP-UHFFFAOYSA-N 344.411 3.651 0 3 EHAF CCOC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13610527 CWUFAEFVVZEOIQ-CBQIQWOPSA-N 330.468 3.872 0 1 EHAF O[C@@H](CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1 13861762 MDAQRCAZAXMXKJ-KRWDZBQOSA-N 336.888 3.647 0 1 EHAF COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169324887 IVJOAORQVUYFDW-WAMNDUJFSA-N 347.499 3.639 0 1 EHAF O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ncccn12)C1CC1 203466017 BUNBPRHBZNBPFT-UHFFFAOYSA-N 346.312 3.764 0 3 EHAF CCN(CC)C(=O)C1=CN(C)C(=CC=C2C=Nc3ccccc32)C=C1 1857622299 IJMGRQRIHGVZPB-UHFFFAOYSA-N 333.435 3.924 0 1 EHAF C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccccc2O)cs1 1857621376 HJEZSDBKOZYSOE-UHFFFAOYSA-N 341.392 3.531 0 1 EHAF CN1CCCC[C@@H]1CCN1c2ccncc2Sc2ncccc21 1857748557 ISCLMZLMGLVXAT-CQSZACIVSA-N 326.469 3.954 0 1 EHAF COc1ccc([C@@H](C)C(=O)c2ccc(N(C)C)cc2OC)cc1OC 1857760861 ILNCTOPCXSAVKY-CYBMUJFWSA-N 343.423 3.765 0 1 EHAF O=C1c2ccccc2[C@]2(c3ccc(Cl)cc3)N[C@H]3CCCC[C@@H]3N12 1862003 MXXCXERMDNXHFJ-CMKODMSKSA-N 338.838 3.911 0 1 EHAF Cc1cccc(N2CCC[C@H]2CNC(=O)Nc2ccc(F)cc2)c1 1912203 AFSPKFUYYYKPTB-SFHVURJKSA-N 327.403 3.925 0 1 EHAF C=C1C=C(C(F)F)n2ncc(C(=O)Nc3ccccc3OCC)c2N1 104686068 NBVXSTLIUNQXBT-UHFFFAOYSA-N 346.337 3.579 0 1 EHAF O=S(=O)(CCCCN1CC[C@H]2CCCC[C@@H]2C1)c1ccccc1 28571487 MTIXJHOVOPGZFL-QZTJIDSGSA-N 335.513 3.753 0 1 EHAF CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3sccc3c2)CC1 61897673 WQQDNWODEXCNNL-ZDUSSCGKSA-N 331.437 3.707 0 3 EHAF Cc1c(Cl)cc(C(N)=O)c2c1Oc1ccc(Cl)cc1C(=O)N2 2356704218 LKTXNDBBKSMZRJ-UHFFFAOYSA-N 337.162 3.759 0 1 EHAF COc1cccc(CCc2nnc(-c3ccc4[nH]cnc4c3)s2)c1 72317054 BYYVFQBHUCNZMX-UHFFFAOYSA-N 336.420 3.875 0 1 EHAF COc1ccc(CC[C@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1F 33997310 BHDFVGKYAAFRKM-LJQANCHMSA-N 334.387 3.602 0 1 EHAF COc1ccc2cc(-c3ccc(CO)cc3)cc(CCNC(C)=O)c2c1 40406744 ZFPVPOGVAGJIQY-UHFFFAOYSA-N 349.430 3.686 0 1 EHAF in-vitro CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2C(=O)N1CCCC1 84609973 FDJNTRXHKYKJDR-BDXSIMOUSA-N 332.875 3.529 0 1 EHAF CN(C)c1cccc(-c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)c1 95596909 DHRARBBNRADNIQ-UHFFFAOYSA-N 333.435 3.861 0 1 EHAF C/C(=C/C(=O)O)CC[C@@]1(C)[C@H](C)CC=C2[C@@H]1C[C@@H](O)[C@@H](O)C2(C)C 238788133 WFFSKSWERRSCHE-CJEANWTJSA-N 336.472 3.538 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3C[C@H]4OC[C@@]5(CC[C@@H](O)C=C45)[C@H]3CC[C@]12C 253637650 XHPCETFDAYEZPD-LQROXGITSA-N 330.468 3.504 0 1 EHAF C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 299819580 IGTBWNRPQOIMSD-YHUMXLBCSA-N 347.499 3.845 0 1 EHAF NC(=O)c1cccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587960378 BQDMCJBLQZGHHF-UHFFFAOYSA-N 327.387 3.920 0 1 EHAF COc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(OC)c1O 587785236 JOGIOZPFJSFFDN-UHFFFAOYSA-N 340.713 3.884 0 1 EHAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)no1 587587476 NYPPMDNHVXUESI-QFBILLFUSA-N 337.331 3.566 0 1 EHAF CC(=O)Nc1cccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587872979 ACCDKZAEDYSEKV-UHFFFAOYSA-N 337.310 3.442 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CC(C)(C)O 587866139 VAIWVWDVIFVBGL-UHFFFAOYSA-N 328.334 3.739 0 1 EHAF COc1cccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)F)c1 587637896 QLDWSZLYJLMLIB-UHFFFAOYSA-N 345.301 3.990 0 1 EHAF O=C(O)c1ccccc1/C=C\c1nc2c(Br)ccnc2[nH]1 586882172 LFCMSBDLCPJSGA-WAYWQWQTSA-N 344.168 3.589 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(C(=O)C4CC4)c1)[C@@H](C2)C3=O 587445469 KAPTVNIAMVQRPI-KKSFZXQISA-N 334.371 3.777 0 1 EHAF O=C(O)c1cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1F 587175592 VUZXAPKRPDFDGH-UHFFFAOYSA-N 327.290 3.611 0 1 EHAF COC(=O)c1ccc2nc(C(C)(C)c3ccccc3C)[nH]c2c1OC 587954610 BVNLWQMSPJVURJ-UHFFFAOYSA-N 338.407 3.992 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4[nH]c(C)cc41)[C@@H](C2)C3=O 587438644 PKZSNCUABMFJIS-YCRPNKLZSA-N 337.419 3.947 0 1 EHAF CC[C@@H]1C[C@@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587832513 KMNHWVSDFDQRRD-NSODJVPESA-N 342.252 3.907 0 1 EHAF Cc1ccnc(CCc2cccc([C@H](N)Cc3cc(C)cc(N)n3)c2)c1 169333438 NRRPWROZZNIOKD-OAQYLSRUSA-N 346.478 3.703 0 1 EHAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1NC(C)(C)C 206074299 IANCYKFILINNSQ-SNVBAGLBSA-N 349.438 3.948 0 1 EHAF Fc1ccc(-c2cc(-c3ccc([C@H]4CNCCO4)cc3F)[nH]n2)cc1 205118330 DOXYUGSMSNMNNS-LJQANCHMSA-N 341.361 3.683 0 1 EHAF O=C(C1CCC1)N1CCC[C@@H](c2nc(-c3cccc(Cl)c3)no2)C1 324561 SVDUTEHSNVPABA-CQSZACIVSA-N 345.830 3.896 0 1 EHAF COc1cccc2c1CCC[C@@H]2CCCNCCOc1ccccn1 13470660 HETKYUVAGHVYTA-QGZVFWFLSA-N 340.467 3.959 0 1 EHAF CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCc2ccccc21 20900784 DLKZSHWURDPNLS-UHFFFAOYSA-N 338.432 3.531 0 1 EHAF CN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 21289037 FKFFXIBNVYSRTJ-UHFFFAOYSA-N 344.216 3.597 0 1 EHAF O=C(NCCc1ccccc1)Oc1ccc(C2=NCCS2)cc1 42921248 OQTBUQQEXIHDRR-UHFFFAOYSA-N 326.421 3.511 0 1 EHAF Cc1ccc(C)c(C(=O)C[C@H](C(=O)Nc2ccccc2)n2ccnc2)c1 45373730 PHIIFIGTXQOGFD-LJQANCHMSA-N 347.418 3.953 0 1 EHAF CC(C)Nc1nc(NC(C)C)nc(N2CCCc3ccccc32)n1 58602834 DJTZLSHMUDZOID-UHFFFAOYSA-N 326.448 3.597 0 1 EHAF O=c1cc(-c2ccccc2)oc2c(-c3ccncc3)c(O)cc(O)c12 72119017 NDRNJMYHGVBPRY-UHFFFAOYSA-N 331.327 3.933 0 1 EHAF COc1ccc(-c2nc(CNCCCN3CCCC[C@H]3C)co2)cc1 72183304 ILMDRMDPWJIMLW-MRXNPFEDSA-N 343.471 3.704 0 1 EHAF Oc1ccc([C@H]2CCc3c(cc(O)c([C@H]4CCCCN4)c3O)O2)cc1 72318259 HJXKFAYALLCBOA-NVXWUHKLSA-N 341.407 3.684 0 1 EHAF CC1=Nc2ncnn2[C@@H](c2c[nH]c3ccccc23)/C1=C(\O)OC(C)C 101633014 XQCRLBSPAUUZLV-UYTDBDHRSA-N 337.383 3.649 0 1 EHAF aggregator C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1CC[C@]13COC(=O)C1=CCC[C@@H]23 105375872 BLXXJMVVAYFKDR-NPACWLSJSA-N 342.391 3.564 0 1 EHAF CCCC[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 299845955 PVOMKYBSCRQMHQ-KBAYOESNSA-N 331.456 3.795 0 1 EHAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NC[C@@H](O)CC 299876261 FIFMXACLTWHOMK-QXAKKESOSA-N 346.471 3.588 0 1 EHAF O=C(O)c1cc(F)cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c12 586899399 ZSIBJSYVUDOTBL-UHFFFAOYSA-N 326.327 3.652 0 1 EHAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 586906695 GIWWPWWICKSLRJ-ZETCQYMHSA-N 336.178 3.846 0 1 EHAF Cc1nc2ccc(O)c3c2c(c1[C@H]1CCOC1)-c1ccccc1C3=O 586989963 BKKWXZPTGRKMDV-LBPRGKRZSA-N 331.371 3.964 0 1 EHAF COc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1Cl 587123070 HPLWTUFOFISQGE-UHFFFAOYSA-N 339.729 3.931 0 1 EHAF Nc1c(F)c(F)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1F 587136296 FWKICDJBKBLYGS-UHFFFAOYSA-N 333.100 3.931 0 1 EHAF Fc1ccc(-c2nc3cnc(Cl)cc3[nH]2)nc1Br 587155902 VDADKCZZYNIPDW-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF CC(C)[C@H](c1nc2nc(Cl)c[nH]c-2n1)N(C)C(=O)OC(C)(C)C 587197273 CDWNRNNLNAPVPU-SNVBAGLBSA-N 339.827 3.522 0 1 EHAF COc1ccc(C)cc1NCCCc1nc2ccc(Cl)nc2[nH]1 587229095 NTOBSXXYGFMJER-UHFFFAOYSA-N 330.819 3.973 0 1 EHAF Cc1ccc(NC2(c3nc4c(O)nc(S)nc4[nH]3)CCCC2)cc1 587236624 BNNYBEMEHYJTAQ-UHFFFAOYSA-N 341.440 3.537 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C)O2 587401978 ULDJIGYEDDVIOC-OWCLPIDISA-N 345.439 3.525 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(OC)cc1C)CC2=O 587488550 PLNYXVIZGAWSIY-KRWDZBQOSA-N 327.380 3.763 0 1 EHAF COc1ccc(-c2ccccc2-c2ccc3c(O)nc(O)nc3n2)cc1 587560723 DVBRYPOVWXVOOP-UHFFFAOYSA-N 345.358 3.779 0 1 EHAF CC(=O)Oc1c(-c2ccc(F)cc2F)[nH]c2c(C(=O)O)cccc12 587637466 JPUUTUFLBUMLOK-UHFFFAOYSA-N 331.274 3.737 0 1 EHAF Cc1ccc(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587654902 POBMHHGXERYUKU-UHFFFAOYSA-N 344.823 3.791 0 1 EHAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C 587752998 GRXZBSLWMDJVOK-XXFAHNHDSA-N 337.236 3.859 0 1 EHAF CC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815054 KAOUBMTWSLMBTE-ABKXIKBNSA-N 340.236 3.707 0 1 EHAF Cc1ncc(-n2c(C)cc3c2CC(C)(C)CC3=O)nc1Br 587940056 IAYOMNZMESANQR-UHFFFAOYSA-N 348.244 3.802 0 1 EHAF COc1ccc2oc([C@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)cc2c1 963039649 ZGIVOUMZLKRSDH-ZSEKCTLFSA-N 348.402 3.584 0 1 EHAF C[C@@H]1Cc2c(O)cc3c(c2[C@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 2356399379 UFGNCOLKCKXERC-YRUZYCQGSA-N 340.375 3.810 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC(C)=CCCC(C)=C[C@@H]2O[C@H](O)[C@@H](C)[C@H]21 2356416424 STIMKRWEFJAFHV-STEXWYFWSA-N 334.456 3.910 0 1 EHAF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CC=C[C@]3(C)CC[C@H]21 2356438174 VIAZXGSKYDTXOR-GTXWJXBTSA-N 330.424 3.729 0 1 EHAF COC(=O)C=C(C)CC[C@@H]1C(=O)CC[C@H]2C(C)(C)C(=O)CC[C@]12C 2356504442 RLSAQUYQTNBTEO-PTSWNOGYSA-N 334.456 3.877 0 1 EHAF CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3ccccc3c2)C1 61904184 PKVBGGRCJUWNEZ-OAQYLSRUSA-N 338.451 3.608 0 3 EHAF COc1cc2nc(=S)n(Cc3ccc(F)cc3)c(O)c2cc1OC 253496752 YZEUEFAUHMYQPF-UHFFFAOYSA-N 346.383 3.676 0 3 EHAF Cc1cccc(NC(=O)c2cc(-c3cc(F)cc(F)c3)ccn2)n1 28900356 CVBWBHLJBLFSFF-UHFFFAOYSA-N 325.318 3.983 0 1 EHAF O=C(O)[C@@H]1Cc2ccccc2C=C1C1=Cc2ccccc2C[C@H]1C(=O)O 2356538371 BXDCWQGAILMPMH-WOJBJXKFSA-N 346.382 3.667 0 1 EHAF CCCCc1nc2[nH]ncc2c2nc(-c3cccc(Cl)c3)nn12 27210614 GJFLKCHEPONTBP-UHFFFAOYSA-N 326.791 3.664 0 1 EHAF COc1cc2c(cc1O)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 2356670811 CXZSMUPWCVAGRO-MGNBDDOMSA-N 346.379 3.664 0 1 EHAF C[C@H](C1CCCCC1)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 29253249 OAJRZWJPYGFQRQ-SSDOTTSWSA-N 329.293 3.808 0 1 EHAF CC1(C)CCC[C@]2(C)[C@@H]1CC=C(C1OCCCO1)[C@]21COC(=O)O1 2356744069 ADYKSSXMRVBPFN-NIKGAXFTSA-N 336.428 3.818 0 1 EHAF CN1CCN(C2=Nc3cc(Cl)ccc3Oc3c(F)cccc32)CC1 36473905 CWUMXJUVPLMCHV-UHFFFAOYSA-N 345.805 3.911 0 1 EHAF CC(=O)c1c(O)c(C=O)c(O)c2c1O[C@]1(CC2)[C@@H]2CC[C@@H](C2)C1(C)C 72110313 IPTOUBBZPOBHBO-XXRNEEKGSA-N 344.407 3.633 0 1 EHAF COc1cc([C@@H]2Oc3c(OC)cc(CC(C)=O)cc3[C@@H]2C)ccc1O 14584495 JSZPLRAHDGBRIJ-HXPMCKFVSA-N 342.391 3.778 0 1 EHAF biogenic Cc1cc(O)c(C)c2c1Oc1c(C=O)c(O)c(Cl)c(C)c1C(=O)O2 14636960 CHULJMFHZUSCAC-UHFFFAOYSA-N 348.738 3.814 0 1 EHAF biogenic Cc1c(Br)cnc2[nH]c(CCc3ccccc3F)nc12 587150458 QSCBETJTUQNABC-UHFFFAOYSA-N 334.192 3.953 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC[C@@H]2CCOC2)N1 587832259 BCZWJKAZMFRAQB-UVWXRNBGSA-N 342.252 3.980 0 1 EHAF Oc1cc(Cc2ccccc2)c(O)n1-c1ccnc(Br)c1 587940930 QKCMZNFLYQFFMF-UHFFFAOYSA-N 345.196 3.637 0 1 EHAF COC(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587951495 WPOWKONKBMULIM-UHFFFAOYSA-N 340.423 3.835 0 1 EHAF Fc1c(F)c(F)c2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1F 587123888 KRVBFIJCOUBNHL-UHFFFAOYSA-N 347.218 3.825 0 1 EHAF COc1cc2[nH]c(C(=O)Cc3ccccc3OC)nc2cc1Cl 587928887 DBEKQPHPNIESNK-UHFFFAOYSA-N 330.771 3.659 0 1 EHAF COc1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(Cl)n1 587083603 BRXDCICSLISMHC-UHFFFAOYSA-N 329.574 3.989 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccns2)N1 587854467 BWICZDYFRLOUSU-XLKFXECMSA-N 341.249 3.842 0 1 EHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)cc1 587786477 QSHAIFQPPRMQBI-WDEREUQCSA-N 346.308 3.924 0 1 EHAF COc1cc2nc(-c3oc4c(c3C)[C@@H](O)CCC4)[nH]c2cc1OC 586905581 URISWRHSUCKTKL-LBPRGKRZSA-N 328.368 3.518 0 1 EHAF N=c1[nH]ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587151301 WWUUZEQTKYRNAF-MRXNPFEDSA-N 333.370 3.711 0 1 EHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1O 587377331 WITBTVJLBRPDHF-HNNXBMFYSA-N 333.771 3.651 0 1 EHAF Oc1nc(O)c2cc3c(nc2n1)[C@H](c1cccc(C(F)(F)F)c1)CC3 587368996 ZIHRRKMWPGTPNS-NSHDSACASA-N 347.296 3.533 0 1 EHAF Cc1c(F)ccc2c1[C@@H](c1cnn(-c3cccc(F)c3)c1)NCC2 962094681 UNNNDVWPFLIAHL-LJQANCHMSA-N 325.362 3.694 0 1 EHAF COc1cccc2cc3c(nc12)C[C@@H]1CCCC(=O)N2CCC[C@@]12C3 205706187 IMBZHXYACJKJDM-HRAATJIYSA-N 336.435 3.503 0 3 EHAF C[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(F)cc3)=NN2C1=O 1857746311 SIPQOEKTGLDIQD-QFYYESIMSA-N 344.773 3.938 0 1 EHAF Cc1nc(C)c(C(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)s1 19560037 SVXYTKADSQTWFY-CYBMUJFWSA-N 340.452 3.656 0 1 EHAF COc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2ccccc23)cc1 5831 AJSBECYNSFDQSQ-UHFFFAOYSA-N 333.391 3.906 0 1 EHAF COc1ccc2c(c1)C(=O)CCc1cc(OC)c(OC)c(OC)c1-2 1654958 LCUPINWVEJYXRG-UHFFFAOYSA-N 328.364 3.517 0 1 EHAF COc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1 103226051 UZECJQREBUGVGC-UHFFFAOYSA-N 335.407 3.660 0 1 EHAF Nc1nccc2cc(OC3CCN(Cc4ccccc4)CC3)ccc12 66102459 PHZXMRQUAYLRPH-UHFFFAOYSA-N 333.435 3.860 0 1 EHAF CO[C@H](Cc1ccc(O)cc1)CN1CCC(Cc2ccccc2)CC1 26292353 RFZWEUQLVBBRPQ-JOCHJYFZSA-N 339.479 3.904 0 1 EHAF NC(=O)c1cccc2c(NCc3cccc(C(F)(F)F)c3)ccnc12 114344189 VNLDWMOEKZFKDP-UHFFFAOYSA-N 345.324 3.965 0 1 EHAF Cc1cc(C(=O)Nc2ccc(Cl)cc2)n(CCc2ccncc2)n1 28822060 JLBOPYOYNAUDRW-UHFFFAOYSA-N 340.814 3.735 0 1 EHAF CC(=CCCC1=CC(=O)OC1)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356629096 QHQVIZDBKVYMNF-GOSISDBHSA-N 336.472 3.835 0 1 EHAF C[C@@H]1[C@H](O)c2cc3c(cc2[C@@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 2356692374 UFSWDRBHUMUFRO-URSLPWQFSA-N 340.375 3.595 0 1 EHAF COc1ccccc1[C@@]1(C)ON(c2ccccc2C(F)(F)F)C1=O 36387701 VBZOIBNXBLCDGK-MRXNPFEDSA-N 337.297 3.908 0 3 EHAF CCNCc1nc2c3ccccc3ncc2n1Cc1ccc(OC)cc1 72177067 SURPFWIVAXNIFK-UHFFFAOYSA-N 346.434 3.751 0 1 EHAF CC[C@H](C)NC(=O)c1cnc(N2CCCC2)nc1-c1cccc(C)c1 82146571 VMWMIFYMMOAYSZ-HNNXBMFYSA-N 338.455 3.581 0 1 EHAF Cc1ccc(N[C@H]2C[C@H](Oc3ncccc3C3CCOCC3)C2)nc1 146902735 IDVOWFCUTYLYRH-CALCHBBNSA-N 339.439 3.701 0 1 EHAF CN1C(=O)C[C@@]2(C)C1=CC[C@H]1[C@@H]3CC=C(n4ccnc4)[C@@]3(C)CC[C@@H]12 144117035 JSXCZKTYSAQVQM-KUVPCWQVSA-N 337.467 3.932 0 1 EHAF C/C=C1/CN2CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1CCOC 238748705 OJQWEELBMCSJSY-LTIDUTCTSA-N 326.440 3.775 0 1 EHAF CCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1 143787339 ZEULTTXWDCGGSX-NSHDSACASA-N 331.343 3.789 0 1 EHAF CCOC(=O)CC[C@H]1CC[C@]2(CCCN(Cc3ccccc3)C2)O1 96018977 HHBONMCNBXBBEN-ICSRJNTNSA-N 331.456 3.544 0 3 EHAF C[C@H](COC(=O)c1ccc(O)cc1)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C 96935055 VUEGOCMVCWNSSX-HKAGCZBPSA-N 332.440 3.762 0 1 EHAF CN1CCc2c3n(c4cc(Br)ccc24)[C@@H](O)CCC[C@H]31 33768480 SEKCREXSGCGPFK-HIFRSBDPSA-N 335.245 3.608 0 1 EHAF biogenic FC(F)(F)c1cnc2[nH]c(-c3csc4c3CCOC4)nc2c1 587031065 ACSCRNCPGFUWTK-UHFFFAOYSA-N 325.315 3.778 0 1 EHAF Fc1cnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1 587134215 KKDLHRPPEVSBJA-UPHRSURJSA-N 329.203 3.963 0 1 EHAF C[C@]1(c2cccc3oc(=N)[nH]c23)CC(=O)c2ccc3c(c2O1)CCCC3 587512122 UKPVTMLMWVJXIP-OAQYLSRUSA-N 348.402 4.000 0 1 EHAF O=C(CCCc1nc2cccc(C(=O)O)c2[nH]1)c1ccc(Cl)cn1 587080418 CNRNBNCEVBCWRU-UHFFFAOYSA-N 343.770 3.515 0 1 EHAF COC[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587791623 KFIKUWVJEZQQBI-BMIGLBTASA-N 330.241 3.620 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(N)sc3c1CCC3)O2 587413557 HFLJHDDTCKNBMF-SFHVURJKSA-N 328.437 3.590 0 1 EHAF O=C(c1nc(-c2ccccc2)no1)n1nc2cc1Oc1ccc(F)cc1-2 587875461 OVNHRMHZSVVYKY-UHFFFAOYSA-N 348.293 3.533 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(Br)s1)O2 587412555 IYFCOQGSLOJTNR-JTQLQIEISA-N 339.214 3.503 0 1 EHAF CC(=O)Nc1cccc(Cc2nc3ccc(Br)cc3[nH]2)c1 587242797 RXAWIVDDPIHRQA-UHFFFAOYSA-N 344.212 3.875 0 1 EHAF Cc1cnc(Cl)c2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc12 587172910 PYJQHHKQBPBNHD-QGZVFWFLSA-N 345.761 3.687 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4cccc(C)c4)c1)[C@@H](C2)C3=O 587430887 HUQNNBZGBPORHI-UWJYYQICSA-N 346.386 3.678 0 1 EHAF Cn1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C(F)(F)F)c1 587113705 XLENIIDOZVCALR-UHFFFAOYSA-N 349.291 3.912 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc4nc(C)ccc4o1)[C@@H](C2)C3=O 587436773 SZIAEUREUSGVIL-RBZFPXEDSA-N 335.359 3.808 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C(C)=O)(c1ccc(F)cc1)CC2=O 587468435 VCRYSQWHNCQQJK-HXUWFJFHSA-N 342.366 3.934 0 1 EHAF Cc1nc2c(c(C)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 13585102 ZXBYTVYUILLVEF-UHFFFAOYSA-N 343.601 3.686 0 1 EHAF C[C@]12CC[C@@H]3c4cc(CCCO)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13755878 OMLNKIQCBRKHOW-OKSLILNBSA-N 330.468 3.534 0 1 EHAF CCCc1ccc(/C=C2\CN3[C@@H]4CC[C@@H]3[C@@H](C(=O)OC)[C@@H]2C4)s1 169371537 WPYLGFOVJBBYHQ-AJRRMXJCSA-N 331.481 3.740 0 1 EHAF COc1ccc(COc2cccc3o[nH]c(=Nc4cccnc4)c23)cc1 1857758454 YVWYAOORPTXEPR-UHFFFAOYSA-N 347.374 3.976 0 1 EHAF Cc1c(C(=O)NC(C)C)sc2ncnc(N3CCCC[C@H]3C)c12 223788 HUBGCHARCIVIBW-LLVKDONJSA-N 332.473 3.517 0 1 EHAF CC1(C)c2cc(C(=O)O)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114801540 IBEJVUMAOGHPCA-UHFFFAOYSA-N 330.343 3.608 0 1 EHAF COc1ccc([C@@H]2C[C@H](c3ccc(OC)c(O)c3)OC[C@@H]2OC)cc1 2356550722 KAETWBBZOZEGPL-DBVUQKKJSA-N 344.407 3.670 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cccc(SC)c1 2356587434 KPBXPNWCHWXDRD-YCPHGPKFSA-N 349.569 3.815 0 1 EHAF c1ccc2c(Cc3nc4ccc(N5CCNCC5)cc4[nH]3)cccc2c1 45253130 ZAPRICXOFXFLFL-UHFFFAOYSA-N 342.446 3.717 0 1 EHAF Cc1noc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)n1 144722901 PKLHDMPVOCHSBW-MRXNPFEDSA-N 332.281 3.824 0 1 EHAF CCCOC(=O)CCN[C@@]1(c2ccccc2Cl)CCCCC1=O 96910541 GSLQTNIISBAJKM-GOSISDBHSA-N 337.847 3.611 0 1 EHAF CCCOc1nc([C@@](C)(O)c2ccc(OC)cc2)c2ccccc2n1 299861543 IKLWYERODXZVMW-FQEVSTJZSA-N 338.407 3.683 0 1 EHAF C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511831 SAZMXYLJIGLJNE-SJCJKPOMSA-N 345.439 3.812 0 1 EHAF CC(C)COC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521036 HTAVSSSILLVDPT-FQEVSTJZSA-N 330.424 3.879 0 1 EHAF Cc1cc(F)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 586966907 KSHFEAMATIHKLX-UHFFFAOYSA-N 341.371 3.748 0 1 EHAF O=S(=O)(O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587087635 MMSFJMOJMYZMJE-UHFFFAOYSA-N 347.783 3.611 0 1 EHAF COc1ccc2nc(-c3nc4cc(F)c(C(=O)O)cc4[nH]3)sc2c1 587034002 BHNOUZMQVYGOFR-UHFFFAOYSA-N 343.339 3.686 0 1 EHAF CCc1ccccc1NC(=O)c1nc2cnc(C(F)(F)F)cc2[nH]1 587241321 UFKTYMLRMVQPCK-UHFFFAOYSA-N 334.301 3.791 0 1 EHAF Cc1cccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 586996650 IQGMDIFQTAMYAP-CYBMUJFWSA-N 330.229 3.876 0 1 EHAF CCC(=O)[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811463 GIVHUWFOMQEGRM-VFZGTOFNSA-N 328.225 3.707 0 1 EHAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 587051354 WDQHROGVHMKQEJ-UHFFFAOYSA-N 347.733 3.679 0 1 EHAF COC(=O)CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097663 NELUFNOOBLPPKY-UHFFFAOYSA-N 331.371 3.860 0 1 EHAF O=C1C[C@@H](c2ccc(C3OCCO3)o2)Oc2c1ccc1c2CCCC1 587533606 RNBMDYDXHGVESY-SFHVURJKSA-N 340.375 3.910 0 1 EHAF Oc1cccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587126887 HJJLTXFGHVFZJO-UHFFFAOYSA-N 334.257 3.710 0 1 EHAF O=C(Cc1noc2ccccc12)n1nc2cc1Oc1ccc(F)cc1-2 587873122 CISZKPBIFNPYTO-UHFFFAOYSA-N 335.294 3.819 0 1 EHAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587169531 YOPQOXHXACWKER-CYBMUJFWSA-N 343.402 3.782 0 1 EHAF Cc1sc2c(c1C)CCN[C@@]2(C(=O)c1ccco1)c1ccco1 963034452 YUBJVUIKSGSAOJ-GOSISDBHSA-N 327.405 3.823 0 1 EHAF COc1cccc(-c2ncc([C@@H]3NCCc4ccc(F)c(C)c43)cn2)c1 962149402 VUXCPBBHGJJCMN-FQEVSTJZSA-N 349.409 3.835 0 1 EHAF COCn1ncc(C)c1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962668674 NVJVRSIHUHQTJR-HXUWFJFHSA-N 333.435 3.698 0 1 EHAF CCOc1ccc(-c2[nH]nc3nc(C(C)C)cc(C(=O)O)c23)cc1 13363528 KIPIMJVYHBUZNN-UHFFFAOYSA-N 325.368 3.845 0 1 EHAF CCC(CC)N1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 13561120 XWHSFKWQSMVQHW-UHFFFAOYSA-N 342.405 3.581 0 1 EHAF COc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1 13581706 QKZMTKSDWIVRRP-UHFFFAOYSA-N 338.338 3.788 0 1 EHAF CCc1c(Sc2ccc3ccccc3c2)[nH]c2nc(N)nc(N)c12 14967413 FWCRIJARCDMCDD-UHFFFAOYSA-N 335.436 3.989 0 1 EHAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@@H]1CCCC[C@@H]21 169343381 KQYOJTINKKYFQN-HTQZYQBOSA-N 329.179 3.927 0 1 EHAF CCCCCc1ccc(C(=O)Nc2ccc3[nH]c(=N)n(C)c3c2)cc1 1857537051 WLEILQOOFAPTKP-UHFFFAOYSA-N 336.439 3.971 0 1 EHAF NC(=O)c1cc(-c2ccc3nccc(-c4ccncc4)c3n2)ccc1F 1857638344 SUVNRUJPMRENAY-UHFFFAOYSA-N 344.349 3.597 0 1 EHAF CCOc1ccc(Oc2ncc(/C=C/[C@H](C)NC(C)=O)s2)cc1 1857756810 CWVWOIDGHRSLAW-DJTWPOEFSA-N 332.425 3.872 0 1 EHAF COc1cc(/C=C/c2ccc(OC(C)=O)cc2)cc(OC)c1OC 1625608 SYAOAXJVQVJDPD-AATRIKPKSA-N 328.364 3.808 0 1 EHAF O=C(O)c1ccc(CSc2nccc(-c3nccs3)n2)cc1 101352677 OPUGSNVOIFBLEH-UHFFFAOYSA-N 329.406 3.591 0 1 EHAF CCCN(CCC)[C@@H]1COc2c(cccc2C(=O)c2ccoc2)C1 29334197 VZQTUQHHRRWIAE-KRWDZBQOSA-N 327.424 3.936 0 1 EHAF CCN1CCN([C@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 22925229 KVCCOUNQAONHEJ-INIZCTEOSA-N 347.915 3.985 0 1 EHAF Cc1cc(OC(F)(F)F)cc2c1O[C@H](C(F)(F)F)C(C(=O)O)=C2 64540015 JOBQMBHNCXPGBC-JTQLQIEISA-N 342.191 3.685 0 1 EHAF S=C(NCc1ccccc1Cl)N1CCC(c2ccccc2)=N1 38278307 HNDAEWVBWDPESP-UHFFFAOYSA-N 329.856 3.825 0 1 EHAF CC(C)CCC[C@H](C)CCCC1(C)O[C@H]([C@@H](C)O)[C@@H]([C@@H](C)O)O1 34329455 VWFGBMFJJPHJPW-YYWYGQEZSA-N 330.509 3.881 0 1 EHAF COC(=O)[C@]1(CO)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@H]12 35906477 BJNVOKJLYMPWOF-WVDARTDPSA-N 346.467 3.924 0 1 EHAF C[C@H]1CN(c2ncnc3c2oc2ccc(Cl)cc23)C[C@H](C)N1C 49087780 QHJWYUAMRUHBEJ-QWRGUYRKSA-N 330.819 3.558 0 1 EHAF Cc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)[C@@H](C)[C@H]4O)OC(C)(C)C=C3 14681752 AAPFBQWCKBJQGL-GLKRBJQHSA-N 342.391 3.736 0 1 EHAF biogenic COc1cc(C[C@H](C)[C@@H](C)[C@@H](O)c2ccc(O)c(OC)c2)ccc1O 14646624 WRCSGYHRSMRAFZ-MRRFBWAASA-N 346.423 3.663 0 1 EHAF biogenic C[C@@H](/C=C/C(=O)O)[C@H]1O[C@@H](CC(=O)c2ccc(N)cc2)[C@H](C)C[C@H]1C 83920934 RHBKNRVHUONUJZ-LKSRRTKUSA-N 345.439 3.548 0 1 EHAF in-vitro COc1cccc(CSc2nnc(-c3ccc(O)c(OC)c3)o2)c1 84690094 MRYICXYULVSGKR-UHFFFAOYSA-N 344.392 3.752 0 1 EHAF O=C1OC[C@@H](c2ccccc2)N1c1ccnc(NCc2ccccc2)n1 142049931 LAWLEYKLFLHHQT-KRWDZBQOSA-N 346.390 3.787 0 1 EHAF O=C1N(c2ccccc2)c2nc(=S)sc(O)c2[C@@H]2CCCN12 96935401 VVRYHRRWYJYANS-JTQLQIEISA-N 331.422 3.987 0 1 EHAF O=C(Nc1ccccn1)c1cc(Cl)cc(Oc2cncnc2)c1 96938953 KLPIAHKPLHLYQO-UHFFFAOYSA-N 326.743 3.570 0 1 EHAF CC(=O)[C@@H]1[C@H](O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257414532 FGDFFHLIMDMCJI-XFBIMCBUSA-N 334.500 3.566 0 1 EHAF endogenous,in-man CCCc1c(O)ccc2c1O[C@@H](c1ncc([C@H](C)O)s1)CC2=O 587498101 YQHGBTPFHGGIKK-LKFCYVNXSA-N 333.409 3.561 0 1 EHAF Brc1cc2nc([C@H]3CCOC3)[nH]c2cc1Br 586912032 OOMBDWAAMOBZMJ-LURJTMIESA-N 346.022 3.592 0 1 EHAF O=C(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)OCc1ccccc1 587782138 QFSZHMJKNVPZKA-UHFFFAOYSA-N 336.178 3.551 0 1 EHAF Cc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587857247 ZDFPCKCFJHIBQQ-WPPNPWJKSA-N 341.249 3.977 0 1 EHAF Oc1cccc2c1OCC(c1nc3ncc(C(F)(F)F)cc3[nH]1)=C2 586909235 VLCAQCICTMICRY-UHFFFAOYSA-N 333.269 3.615 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c(C(=O)OCC)c1)CC2=O 587480041 BUFJARDBZNXHME-QGZVFWFLSA-N 343.379 3.556 0 1 EHAF CN1C(=O)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518771 PIANRMUVLFHANX-QFIPXVFZSA-N 347.414 3.793 0 1 EHAF C[C@@]1(CCCCO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348582 DGHJNQJPMHUHCI-QUCCMNQESA-N 344.382 3.812 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)nc2)N1 587740986 ZYDFNTKHYXPVKV-AYVTZFPOSA-N 339.183 3.746 0 1 EHAF Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587587586 OUQICQKCNMAMLW-YLJYHZDGSA-N 333.343 3.799 0 1 EHAF CC[C@@H]1C[C@]2(CCO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587832510 KMNHWVSDFDQRRD-IETSOEAISA-N 342.252 3.907 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(O)ccc1OC)CC2=O 587476070 COROMVLRLQJYJI-FQEVSTJZSA-N 342.391 3.940 0 1 EHAF COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587397130 SYEZTIJOYFDAGO-SFHVURJKSA-N 349.390 3.682 0 1 EHAF FC(F)(F)c1nc2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2[nH]1 587120776 VIJSUNJRRYTXJV-UHFFFAOYSA-N 346.268 3.854 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1)[C@@H](C2)C3=O 587417033 HSQQQSHRUNMBMZ-GUYCJALGSA-N 345.192 3.946 0 1 EHAF COCCCc1nnc(SC)n1-c1ccc(Cl)cc1Cl 1857571911 UQDISJVOMDOFOE-UHFFFAOYSA-N 332.256 3.875 0 1 EHAF CCC(=O)c1c(O)n(O)c2cc(NC(=O)Nc3ccccc3)ccc12 17991491 ORFUKKLWBBRHAW-UHFFFAOYSA-N 339.351 3.821 0 1 EHAF CC1=C2CC/C(C)=C\CC[C@@]3(C)O[C@H]3CC[C@](C)(O)/C=C/2OC1=O 169348037 ISOHZXFJJWEPNL-QQBSXMEISA-N 332.440 3.953 0 1 EHAF O=N[C@@H](CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 169719685 CGDVKEVRIPZJMP-SFHVURJKSA-N 342.418 3.631 0 1 EHAF CN(C(=O)Cc1c(C(=O)O)[nH]c2ccccc12)c1ccc(Cl)cc1 201574 HHGMUTDUSURUFF-UHFFFAOYSA-N 342.782 3.725 0 1 EHAF CNC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@@H](c1ccccc1)C2 13983767 KXVHKHXRXCNPOC-MRXNPFEDSA-N 333.435 3.583 0 1 EHAF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)C2=O 14410757 DLFBGJCOHIZRGA-BJLQDIEVSA-N 332.440 3.862 0 1 EHAF biogenic Cc1nc(C)c(CCN2CCC(Oc3ccccc3F)CC2)s1 19745755 PEVUSTAKROWEMY-UHFFFAOYSA-N 334.460 3.985 0 1 EHAF CC(=O)c1ccc(N2CCc3[nH]nc(-c4ccccc4C)c3C2)nc1 23153384 CYQYCNIWPLCAES-UHFFFAOYSA-N 332.407 3.545 0 1 EHAF CO[n+]1c(Nc2c(C)cccc2Cl)c2cncn2c2ccccc21 26575749 RXKBSHCWCXTANE-UHFFFAOYSA-O 339.806 3.539 0 1 EHAF CCC[C@H]1CC[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13 26675373 PGBXOIHYFFYKQT-PLIGNYQWSA-N 327.468 3.781 0 1 EHAF Clc1ccc(Nc2nc(N3CCOCC3)nc3ccccc23)cc1 26731898 WDJQOCMHRCDUPP-UHFFFAOYSA-N 340.814 3.863 0 1 EHAF Oc1c2cnc3c(c2nn1-c1ccc(OC(F)(F)F)cc1)CCCC3 27088192 QQIVOICVQUEJEG-UHFFFAOYSA-N 349.312 3.904 0 1 EHAF COCCn1cc(-c2ccnc(Nc3ccccc3)n2)c2cccnc21 28976015 DFYNTWPTJNRDNA-UHFFFAOYSA-N 345.406 3.883 0 1 EHAF CCOC(=O)c1c(O[C@H]2CCC[C@H](C)[C@@H]2C)c(CC)c(C)[nH]c1=O 40431104 WSTNUSIDCUJELH-HUBLWGQQSA-N 335.444 3.626 0 1 EHAF COc1cccc2c1[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1CC[C@H](O)C3 64415694 ZVDWBZIPULXMGB-VWNVYAMZSA-N 341.495 3.525 0 1 EHAF COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1cccc(-c3nccs3)c1)O2 84605152 GICLXVPHVQLGJY-CAOSSQGBSA-N 329.421 3.634 0 1 EHAF OC1=C2C(=Nc3nc(S)nc(O)c3[C@H]2c2cccc(F)c2)CCC1 103909470 CPEDBJGNWHJFMJ-LBPRGKRZSA-N 343.383 3.824 0 1 EHAF Cc1cc(C)n2cc(CCc3nc(-c4ccccc4)cn3C)nc2n1 113420740 CKTXMYVIEZZKTR-UHFFFAOYSA-N 331.423 3.532 0 1 EHAF CC(C)(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O 113733657 RGXDSPVREBKZMQ-UHFFFAOYSA-N 336.391 3.784 0 1 EHAF C[C@H](NC[C@H](O)COc1ccccc1)[C@@H](C)Sc1ccccc1 169330213 WOPAACGUGOUTPK-BBWFWOEESA-N 331.481 3.585 0 1 EHAF COC(=O)[C@H]1C[C@H]2CC[C@H]([C@H]1c1ccccc1)N2Cc1ccccc1 169341572 YPWXCLJIHSHWFD-MHTWAQMVSA-N 335.447 3.996 0 1 EHAF O=C1c2ccc(Cl)cc2O[C@@H]2c3[nH]c4ccc(O)cc4c3CCN12 220322076 TVBDNGRZUVGNMS-GOSISDBHSA-N 340.766 3.616 0 1 EHAF CC(C)[C@@]1(O)CC[C@H]2[C@H](C1)C(=O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C 238740047 ZGBSZOWVGHOHGO-KQEADHDNSA-N 336.472 3.660 0 1 EHAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(C(C)C)cc1 253633403 KAPVAOFZIVUJFB-ILWBXEGPSA-N 325.452 3.849 0 1 EHAF COc1cccc([C@H]2CC[C@@H](NCCOc3ccccn3)CC2)c1 261157139 QEJVHQDLWUVNET-MAEOIBBWSA-N 326.440 3.785 0 1 EHAF FC(F)(F)Oc1cc(Br)c2[nH]c(C3=COCC3)nc2c1 586913613 RFEJPUHEPGULLE-UHFFFAOYSA-N 349.106 3.985 0 1 EHAF C[C@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)ncc2[nH]1 586961338 HLJQBOCLAPSMNS-ZETCQYMHSA-N 325.319 3.620 0 1 EHAF Clc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2n1 587006587 IJULKVSMDWTTEM-UHFFFAOYSA-N 348.591 3.917 0 1 EHAF N=c1[nH]ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016605 ZBGLPTJJKIOIAB-UHFFFAOYSA-N 327.800 3.814 0 1 EHAF COC(=O)c1cccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587151477 IBJLNFJTXMRTJI-NWDGAFQWSA-N 328.318 3.899 0 1 EHAF Fc1cc(Br)cnc1-c1nc2ccnc(Cl)c2[nH]1 587154574 BDNBBMXACYEDGY-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnn1-c1ccccc1C)O2 587393056 YNQFMPFHTPYOKR-LJQANCHMSA-N 333.391 3.778 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](C)Cc1ccc3c(c1)OCO3)O2 587406898 FLBPOACTWAQBML-XIKOKIGWSA-N 339.391 3.519 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1nccs1)O2 587412542 ITXMIKWSLMWYJU-LJQANCHMSA-N 336.416 3.943 0 1 EHAF COc1cc2c3c(c1)O[C@H]([C@](C)(Cl)c1ccccc1)[C@@H](C2)C3=O 587416777 FDTAIROTSWNBQB-ZOCIIQOWSA-N 328.795 3.965 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CCC)(CC(=O)OCC)CC2=O 587476895 BKHSUDGPMXERTA-LJQANCHMSA-N 334.412 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)cc1O)CC2=O 587481201 QAUDAAVBMCKJIK-GOSISDBHSA-N 328.364 3.765 0 1 EHAF O=C1C[C@@H](c2n[nH]cc2Br)Oc2c1ccc1c2CCCC1 587501239 ZZKVKISQOSCYBC-AWEZNQCLSA-N 347.212 3.758 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(CSC3)C2)N1 587853964 BVIRNZCUUZBXJJ-VIFPVBQESA-N 342.277 3.845 0 1 EHAF COC(=O)c1ccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2c1 587925953 FXANXNBQUFZGGQ-UHFFFAOYSA-N 336.391 3.746 0 1 EHAF COc1cccc2cc3c(nc12)[C@@H](c1ccnc(C(F)F)c1)NCC3 963048128 RZXXLHFKACLWHD-QGZVFWFLSA-N 341.361 3.811 0 1 EHAF CCCc1cc(O)cc(OC(=O)c2c(O)cc(O)cc2CCC)c1 1772573710 HDJHRTWCUBLNES-UHFFFAOYSA-N 330.380 3.928 0 1 EHAF COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)CCO3)c(F)c1 1772596782 UVYHBRGYPMPLDC-ONEGZZNKSA-N 327.399 3.914 0 1 EHAF O=C(/C=C/c1ccco1)NCCNc1ccnc2cc(Cl)ccc12 1772632887 PMGFFGCQLWCFLJ-GQCTYLIASA-N 341.798 3.723 0 1 EHAF O[C@H](c1ccc(F)c(F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 61902386 CBCRQYYZNFMVOG-MRXNPFEDSA-N 347.342 3.899 0 3 EHAF CCN(CC)C[C@@H](C)OC(=O)[C@@H]1CCCC[C@]1(O)C1CCCCC1 5650130 XPYLKZZOBVLVHB-KPFFTGBYSA-N 339.520 3.762 0 1 EHAF in-man CCNC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 13686206 YYYKGWKTHWSOEJ-UHFFFAOYSA-N 338.451 3.827 0 1 EHAF C[C@H](C(=O)c1ccc2c(c1)OCO2)[C@H](C)Cc1ccc2c(c1)OCO2 14646500 CQXBMXDDWLNDQB-OLZOCXBDSA-N 340.375 3.842 0 1 EHAF biogenic CC(=O)N1N=C(c2cc(C)nc3ccccc23)O[C@@H]1c1cccs1 21941146 JDCYWPDCWIIEGQ-GOSISDBHSA-N 337.404 3.844 0 1 EHAF C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28095170 MHGMYQNJCFLCSU-FOGSRIBSSA-N 345.483 3.920 0 1 EHAF Nc1ccccc1NC(=O)c1ccc(CNc2cccc(F)n2)cc1 29128025 WGZXNMYTKWFBCR-UHFFFAOYSA-N 336.370 3.667 0 1 EHAF CN(C)CC(C)(C)CNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 40845252 CNZJYNXLIROXSK-UHFFFAOYSA-N 334.847 3.918 0 1 EHAF Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1Nc1ccc2c(c1)CCC2 82203625 GOPZFLQSVGWUJG-GASCZTMLSA-N 338.455 3.631 0 1 EHAF Cc1ccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)s1 95557637 HOYSJTOUCXULQP-GJZGRUSLSA-N 337.448 3.671 0 1 EHAF O=C(O)c1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243549 IBEHOYYOSXKTLP-UHFFFAOYSA-N 330.723 3.724 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C[C@@]43C)[C@@H]1CC=C2n1ccnn1 169212750 AQXJZPBPRCLKNO-MCMLKMLFSA-N 327.472 3.742 0 1 EHAF C/C=C(/C)C(=O)O[C@@]12Cc3occ(C)c3C[C@]1(C)[C@@H](C)C[C@@H](O)C2 238769521 YAVCGZXBKFFNQX-LJFIHQKLSA-N 332.440 3.732 0 1 EHAF CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC[C@H]3C)ncc2C)C1 299876991 GNYIQFMKIVKSSX-LTIDMASMSA-N 332.492 3.779 0 1 EHAF Cc1ncc(-c2nc3ccc(CCO)cc3[nH]2)c(C)c1Br 586979392 LSXYNVSXHHCASN-UHFFFAOYSA-N 346.228 3.539 0 1 EHAF Cc1c(-c2nc3cc(F)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029362 MVRYPGGTXKWEAC-UHFFFAOYSA-N 340.383 3.852 0 1 EHAF CCOC(=O)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1 587069096 BVVCYZASZHJDIK-UHFFFAOYSA-N 342.782 3.818 0 1 EHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(F)c(F)c2[nH]1 587174500 JVSSOBVUHNDEOS-GFCCVEGCSA-N 330.313 3.704 0 1 EHAF COCC[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587386431 YIWCAEQVZTYATI-IBGZPJMESA-N 329.371 3.614 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](C)Cc1ccc3c(c1)OCO3)O2 587406897 FLBPOACTWAQBML-SGTLLEGYSA-N 339.391 3.519 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(C)c1OC)[C@@H](C2)C3=O 587444686 TUGDVIHDQQXKAF-VBKZILBWSA-N 340.375 3.510 0 1 EHAF COc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2CC(=O)O)ccn1 587632374 VOWXJPDURCXPEC-UHFFFAOYSA-N 334.734 3.658 0 1 EHAF Oc1ccc(OCc2ccccc2)n1-c1ccnc(Br)c1 587940931 QKJRJQCXAWIQSA-UHFFFAOYSA-N 345.196 3.919 0 1 EHAF Fc1cccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)c1 653760114 PSUHJJVSGRFNFC-UHFFFAOYSA-N 333.322 3.931 0 1 EHAF CCN1CC[C@]2(C[C@@H]1C)c1cccc(Br)c1CCN2C 963270447 PCBKERVZGNUXNK-GUYCJALGSA-N 337.305 3.637 0 1 EHAF CCCOC(=O)Nc1nc2ccc([S@@](=O)CCC)cc2s1 1857765444 VUSYUDFNLSKTHU-NRFANRHFSA-N 326.443 3.772 0 1 EHAF Fc1ccc([C@H](Cn2cncn2)OCc2ccccc2F)c(F)c1 1857765579 NPTLXSNVYFMDFH-KRWDZBQOSA-N 333.313 3.654 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC(C)=C2C=CC(C)=C2[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356579494 APSKLIXBMOHBGY-NZPGVSJUSA-N 328.408 3.649 0 1 EHAF C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)C(CC(=O)O)=CC[C@H]12 4900248 QZBWVBCUNAJAMC-GTKPJJQQSA-N 342.435 3.708 0 1 EHAF COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1cc(C)c(C)cc1C2=O 5539825 KFYPYRIWJJGRNM-NQIIRXRSSA-N 348.402 3.817 0 1 EHAF CC(C)=CC(=O)O[C@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)[C@H]2O[C@]12C 15160702 VZFXAIKRRNKQFU-GALPBTBASA-N 336.472 3.785 0 1 EHAF Cc1nn(C)cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 28863055 GGGPOYPNHTZKFQ-OAHLLOKOSA-N 334.467 3.971 0 1 EHAF Cc1ccnc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)n1 33493261 WYTXWFUOXKQOQS-ZDUSSCGKSA-N 340.235 3.870 0 1 EHAF COc1ccc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1 45387825 LSHNKPWXTNLQGT-UHFFFAOYSA-N 342.347 3.698 0 1 EHAF CC(=O)Nc1cccc(-c2ccc([C@@](O)(c3c[nH]cn3)C3CC3)cc2)c1 59972530 WAXZAJPOBWYNFU-NRFANRHFSA-N 347.418 3.681 0 1 EHAF CC(C)(C)O[C@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)C1 73162123 PJCXLKOOAWGTHN-NEPJUHHUSA-N 327.222 3.552 0 1 EHAF O=C(c1ccc2c(c1)C=NC2)N1CCC[C@H]2c3ccccc3CC[C@@H]21 100620917 JWZQINPTJQEIHC-SFTDATJTSA-N 330.431 3.954 0 1 EHAF CN1C[C@H]2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)[C@H]1C2 101438128 VERXRKORTGMYCE-AHRSYUTCSA-N 335.447 3.628 0 1 EHAF CCc1ccccc1N(C)C(=O)COc1onc(C(F)(F)F)c1C 103188160 CFFGCIFFZRYBLY-UHFFFAOYSA-N 342.317 3.606 0 1 EHAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ncc[nH]c-3n2)c1 586882404 RSSDFFFUQIRLSI-UHFFFAOYSA-N 328.375 3.819 0 1 EHAF O=C(O)c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1F 587152502 OSCXLJHSIALVAU-IUCAKERBSA-N 332.281 3.950 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(CC(F)(F)F)s1)O2 587381754 LCQFVSLQZIYDSQ-NSHDSACASA-N 342.342 3.845 0 1 EHAF CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(CC)CC 587442171 KGVDTZNVBPRSFU-KKVAFCGZSA-N 330.424 3.797 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](C(=O)O)CC1)CC2=O 587478500 AZTFGMVBWAMIAD-CWTRNNRKSA-N 332.396 3.714 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C=O)ccc1O)CC2=O 587489455 NQBCPTRZKHSWLC-SFHVURJKSA-N 326.348 3.569 0 1 EHAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587586491 INZWFLTXRXQSOA-NQIIRXRSSA-N 347.370 3.973 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1Cc1ccc(Br)cc1 587651422 SSCWMRSVNUTYDD-UHFFFAOYSA-N 349.615 3.861 0 1 EHAF COc1cc(-c2nc3cccc(Br)c3[nH]2)cc(OC)c1O 587785786 OQZWBQQFALHFMS-UHFFFAOYSA-N 349.184 3.715 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCC(C)C 587872822 RJEARHASSDLRFB-UHFFFAOYSA-N 335.448 3.857 0 1 EHAF COc1ccc(CCCc2nc3cc4cn[nH]c4cc3[nH]2)cc1OC 587924753 FAXQXDCLYWQGRR-UHFFFAOYSA-N 336.395 3.632 0 1 EHAF COC(=O)c1cccc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c12 587928721 BLUPWKNZNJNDGA-JLTOFOAXSA-N 336.391 3.803 0 1 EHAF CC(C)=CCC/C(C)=C\c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587968436 QMOSBCHFMJLAHQ-OWBHPGMISA-N 347.484 3.963 0 1 EHAF CCO[C@H]1C[C@@]2([C@@H](C)O)CCCN3CCc4c(n1c1ccccc41)[C@H]32 653720545 GBKQBTZVLYMPAM-BLEKSLEDSA-N 340.467 3.640 0 1 EHAF Cc1noc(C)c1-c1cc([C@@H](O)[C@H]2CCCCN2)c2ccccc2n1 1857544377 AVQOYZNLALJJRG-YLJYHZDGSA-N 337.423 3.682 0 1 EHAF CCCCC(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 2724693 ZQVJXEVRZKUECJ-HXUWFJFHSA-N 340.398 3.886 0 3 EHAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4207472 NIXCSHRGIWFKQE-WBVHZDCISA-N 346.814 3.941 0 1 EHAF CCOC1(OCC)[C@@H]2c3ccccc3[C@H]([n+]3ccsc32)C1(C)C 100726795 WIVKIBWBECIUDK-CVEARBPZSA-N 330.473 3.879 0 1 EHAF Cc1cccc2cc(CO)c(N3Cc4cnc(C(C)(C)C)nc4C3)nc12 67947975 RQVUPEPQVMHIEB-UHFFFAOYSA-N 348.450 3.643 0 1 EHAF CCCC(=O)N(Cc1ccco1)[C@H](CC)C(=O)NC1CCCCC1 2356863499 VGNZLQVZMFEWJW-QGZVFWFLSA-N 334.460 3.636 0 1 EHAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 36381380 IVXCCONSJKCOIB-UHFFFAOYSA-N 329.450 3.629 0 1 EHAF COc1ccccc1Oc1cc(N2CCc3ccccc3C2)ncn1 35931677 RDPLEDLDZVQHCP-UHFFFAOYSA-N 333.391 3.840 0 1 EHAF CCCN1C(=O)COCc2cc(-c3cccc(COC)c3)ccc21 74374750 JJXGOFYTVVUGJB-UHFFFAOYSA-N 325.408 3.773 0 3 EHAF COc1ccc(C(=O)[C@@H]2CC=CCN2Cc2ccccc2)cc1OC 82055917 DFEOTQWNZIVYGJ-SFHVURJKSA-N 337.419 3.717 0 1 EHAF CCN(CC)CCCNCCOc1ccnc2cc(Cl)ccc12 84382916 HWGVLITXDFMWNI-UHFFFAOYSA-N 335.879 3.589 0 1 EHAF CC(C)NC(=O)c1ccc2c(c1)-c1ccccc1[C@@]2(O)C(F)(F)F 144700975 UEIKXHJOWDDNQL-KRWDZBQOSA-N 335.325 3.603 0 1 EHAF CCC(=O)c1ccc2c(c1)sc(=O)n2CCN1CCCCCC1 96916499 HWLXQCIHHQWINI-UHFFFAOYSA-N 332.469 3.532 0 1 EHAF C[C@@H]1[C@@H](O)c2cc3c(cc2[C@H](c2ccc4c(c2)OCO4)[C@H]1C)OCO3 147031882 UFSWDRBHUMUFRO-YTZNFABESA-N 340.375 3.595 0 1 EHAF O=C1N[C@@H](c2cccc(OCc3ccccc3)c2)Nc2ncccc21 473096495 ZFTGCHAIVRZOJG-SFHVURJKSA-N 331.375 3.515 0 1 EHAF OCc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232138 KZMZFKLXUOEFED-UHFFFAOYSA-N 333.391 3.605 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc4ncccc4c1)[C@@H](C2)C3=O 587435547 GXYCRYHNQCIJLS-HRAATJIYSA-N 331.371 3.906 0 1 EHAF CSCC(C)(C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586969697 VVOBNVONPJNUPG-UHFFFAOYSA-N 343.246 3.664 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1ccccc1)O2 587390462 HPYRZJSIJNPORG-SFHVURJKSA-N 333.391 3.684 0 1 EHAF COc1cc(C2(c3nc4ccc([C@H](N)N=O)cc4[nH]3)CC2)ccc1C 587927088 NKKQGJOBQZSKTE-QGZVFWFLSA-N 336.395 3.684 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CC)C(=O)OCC)CC2=O 587476799 AWZGFSWWPINGFU-IFXJQAMLSA-N 334.412 3.658 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc4ncsc4c1)[C@@H](C2)C3=O 587449506 AXJNKDGDKYPNKV-ORAYPTAESA-N 337.400 3.968 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1nc(C)no1)O2 587395645 SZGYFWODIILHFA-QGZVFWFLSA-N 335.363 3.642 0 1 EHAF COc1cc(-c2nc3c(C)nc(C)cc3[nH]2)nn1-c1ccccc1F 587157228 YFCURPUQONLDIQ-UHFFFAOYSA-N 337.358 3.575 0 1 EHAF C=CC(=O)Nc1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 587243329 BMRILWSUSOBDBB-UHFFFAOYSA-N 332.285 3.768 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C=O)cc(C=O)c1)CC2=O 587485419 VETNYNFLFSHLPU-IBGZPJMESA-N 338.359 3.676 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Br)cc1C)O2 587373477 QYMZGADLIMHXKL-CQSZACIVSA-N 347.212 3.750 0 1 EHAF COC(=O)c1ccnc2nc(-c3ccc(-c4ccccc4N)cc3)[nH]c12 587248652 AHAURQCYRQPGLS-UHFFFAOYSA-N 344.374 3.661 0 1 EHAF CC(=O)OCc1c(C)cc(C)c([C@H]2NCCc3c(C)ccnc32)c1C 963072555 MLHJRGRVEVFQPP-OAQYLSRUSA-N 338.451 3.613 0 1 EHAF CSc1ccccc1C[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962901901 LSHHABDLXDEDMS-HNAYVOBHSA-N 345.439 3.604 0 1 EHAF C[C@H]([C@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C 13884739 MJVPVUAVZUCLJO-MLGOLLRUSA-N 343.298 3.867 0 1 EHAF Cc1ccc(-c2nc3nc(CNc4ccccc4C)cc(O)n3n2)cc1 14609044 VRJYWQOFKUDCKY-UHFFFAOYSA-N 345.406 3.726 0 1 EHAF CCCn1cc(-c2ccc(NC(=O)N3Cc4ccccc4C3)cn2)cn1 166863805 IYUSOPDMRRZCJX-UHFFFAOYSA-N 347.422 3.903 0 1 EHAF Nc1nc(N)c2nc(CSc3ccc4ccccc4c3)ccc2n1 5975042 KZQPPNIWGDASNT-UHFFFAOYSA-N 333.420 3.635 0 1 EHAF COc1cc2c(cc1OC)Oc1c(O)ccc(CCN(C)C)c1C=C2 14693744 DBGGUODEECPLSS-UHFFFAOYSA-N 341.407 3.790 0 1 EHAF biogenic,in-vivo O=C1CCN([C@@H]2CCCC[C@@H]2OCCc2cccc3ccccc23)C1 28653847 OCJAMRRVVABJIC-YADHBBJMSA-N 337.463 3.985 0 1 EHAF COc1ccccc1-c1cncnc1N1CCC(c2[nH]cnc2C)CC1 36176427 MLAWOXNCSWOIBV-UHFFFAOYSA-N 349.438 3.568 0 1 EHAF Cc1cc(=O)n2c(n1)CN=C(c1ccccc1)c1cc(Cl)ccc1-2 39247881 OSFHYSTVWSHJSK-UHFFFAOYSA-N 335.794 3.545 0 1 EHAF CCOC(=O)C1=NO[C@@H](c2ccc(-c3ccc(OC)c(F)c3)cc2)C1 40918154 GGWPYQSSGFGWGB-GOSISDBHSA-N 343.354 3.882 0 1 EHAF C[C@H](c1cccc(F)c1)n1cnc2c(Nc3cccc(N)c3)ncnc21 40934708 VKIGGKAXMPBIEE-GFCCVEGCSA-N 348.385 3.901 0 1 EHAF COc1cccc(-c2c(O)[nH]c3cc(Cl)cc(N(C)C)c3c2=O)c1 43059916 UTOPOESZMJNDJN-UHFFFAOYSA-N 344.798 3.629 0 1 EHAF CCN(CC)C(=O)[C@@H]1CCCc2c1c1cc(O)ccc1n2CCF 73198862 OYYWZOCFFUKRPC-CQSZACIVSA-N 332.419 3.605 0 1 EHAF Cc1ccc(-c2cc(=O)n(C[C@H]3CCCNC3)c3ccccc23)cc1 95587901 FJCOVBOBUYSQLW-KRWDZBQOSA-N 332.447 3.977 0 1 EHAF COc1csc(NC(=O)c2ccc(COc3ccccc3)o2)n1 95755598 MNGGPAXZZJIKCX-UHFFFAOYSA-N 330.365 3.576 0 1 EHAF Cc1cccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1 101661818 XZIRZAZVBVOJAB-UHFFFAOYSA-N 327.405 3.667 0 1 EHAF CC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118921408 CIUZTBJZAMUYJU-SZELBSGTSA-N 334.500 3.710 0 1 EHAF O=N[C@@H](CCN1CCN(c2ccccn2)CC1)c1ccccc1Cl 169719689 NLYACOFISJTOGP-KRWDZBQOSA-N 344.846 3.755 0 1 EHAF O=C(O)CCC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 299840590 VMLRYTSSDFQWRN-MRVPVSSYSA-N 347.592 3.691 0 1 EHAF O=C(O)c1cc(F)cc2nc(CCCCc3cccc(O)c3)[nH]c12 586896314 PJSVYKIPVXENIE-UHFFFAOYSA-N 328.343 3.671 0 1 EHAF C[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1=O 586990314 BEJUXZQDPIGRIM-JTQLQIEISA-N 329.355 3.917 0 1 EHAF CN(C)C(=O)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1 587095500 HGVIBBSUYBFWMD-UHFFFAOYSA-N 348.328 3.533 0 1 EHAF Nc1c(F)c(F)cc(-c2nc3cccc(Br)c3[nH]2)c1F 587137089 SMWSYWAMOFLJFV-UHFFFAOYSA-N 342.118 3.992 0 1 EHAF CC[C@H](Oc1ccccc1F)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587156525 UPOCSNHAHLDOTQ-GOEBONIOSA-N 328.347 3.956 0 1 EHAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(=N)[nH]cc2[nH]1 587247852 VENJTGDMPRBJKU-UHFFFAOYSA-N 345.406 3.785 0 1 EHAF NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc12 587250581 MHNVSHGSIYBKCU-UHFFFAOYSA-N 328.375 3.578 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(F)cc3)c1)O2 587384342 KKMWHHYCZSQZIF-GOSISDBHSA-N 337.354 3.609 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cnn(C)c3)s1)O2 587409766 JKFAWVRQXGMREN-HNNXBMFYSA-N 339.420 3.746 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3cccs3)n(C)n1)O2 587411189 BPICSSQGXJTDAD-MRXNPFEDSA-N 339.420 3.746 0 1 EHAF CCO[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587809201 IFRHTMBQUYOHMO-WNMQOVRZSA-N 342.252 3.907 0 1 EHAF C[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587819930 XGSFLYXRSBEMEG-LYGAQUJYSA-N 340.236 3.707 0 1 EHAF C=C1C=C(C)n2nc(O)c(Cc3cccc(Br)c3)c2N1 957575064 WKKWDPPHEUELJX-UHFFFAOYSA-N 332.201 3.742 0 1 EHAF COc1ccc2c(c1OC)[C@](CN=O)(c1ccccc1)N(C)[C@H](C)C2 962642151 YOWOYNLQAPCKKL-VLIAUNLRSA-N 340.423 3.590 0 1 EHAF CC(=O)Oc1ccccc1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963099455 AFPZPJLNLGYMQN-UZLBHIALSA-N 325.383 3.861 0 1 EHAF CC(C)(C(=O)O)[C@H]1CC[C@]23C=C[C@@](C)(C2)C(=O)C[C@@H]3[C@@]1(C)CC(=O)O 2356480066 NTNYEJFDYFYWKG-SVQGFOMOSA-N 348.439 3.530 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1C(C)=CC[C@H]2[C@@]1(C)C[C@@H](O)C[C@@]2(C)CO 2356727474 OZALBTCYJOTRKW-NIMBFUQJSA-N 336.472 3.540 0 1 EHAF CCCCNC(=S)N1CCC(c2cccc(Br)c2)=N1 103193049 UQLYYPREKFCFJL-UHFFFAOYSA-N 340.290 3.534 0 1 EHAF COc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)c(Cl)c2)nc1 66074231 WCTBJCFOTPQBJY-SNVBAGLBSA-N 339.222 3.817 0 1 EHAF COc1ccc(-c2ccccc2[C@@H]2N[C@H](C(=O)O)CC[C@H]2C)cc1 34148399 OUYDJLDGKVKXPM-ZNZDAUKMSA-N 325.408 3.876 0 1 EHAF O=C(C1CCC1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1 71331242 JDYKHTCWXLKMDP-OAHLLOKOSA-N 329.375 3.729 0 1 EHAF CCC(CC)c1nc2c(NCC(C)C)ncnc2n1C[C@H]1CCCO1 82178161 QOBXDZJFWUYLEI-OAHLLOKOSA-N 345.491 3.977 0 1 EHAF C[C@@H](O)c1ncc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)s1 587022398 QHXICZCPSWFFAC-ZCFIWIBFSA-N 329.303 3.638 0 1 EHAF Nc1c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)[nH]c2ccccc12 587876638 UZEZCNOEIKCZQG-UHFFFAOYSA-N 334.310 3.547 0 1 EHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(O)cc2[nH]1 587234958 BMCIWXTWKUWVBS-CHWSQXEVSA-N 331.416 3.819 0 1 EHAF COc1cc(-c2nc3ccc(F)cc3[nH]2)nn1-c1ccccc1F 587157120 WIIRNNDUMPKYKP-UHFFFAOYSA-N 326.306 3.702 0 1 EHAF COc1c(F)ccc(F)c1-c1nc2ccnc(Br)c2[nH]1 587132325 AWFSUMJEKJDFSA-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF C=Cn1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587583046 SZAWHIKOOLDEGQ-FXAWDEMLSA-N 348.358 3.701 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1nc(C(F)(F)F)cs1 587651443 JIIXPKYCYHHYTI-UHFFFAOYSA-N 331.706 3.514 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cccnc12 587590004 ZDWBPXYNLKEKPC-UWJYYQICSA-N 345.354 3.591 0 1 EHAF O=C(O)c1ccccc1/C=C/c1nc2cncc(Br)c2[nH]1 586882480 VJXBJYKWGMXBDO-AATRIKPKSA-N 344.168 3.589 0 1 EHAF Clc1c[nH]c2nc(-c3cnc(Cc4ccccc4)s3)nc-2n1 587021967 RTSROQBYEPLZDL-UHFFFAOYSA-N 327.800 3.672 0 1 EHAF COC(=O)C[C@H](C)Cc1nc2cc(Br)c(C)c(C)c2[nH]1 587783724 ZPCOFLMNWKTHHT-MRVPVSSYSA-N 339.233 3.684 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3OCCC[C@H]32)N1 587840987 LCWVYHNHKNIHIB-NZLORHDLSA-N 340.236 3.517 0 1 EHAF Cc1ccsc1[C@]1(CCC(=O)O)NCCc2cc(Cl)ccc21 963378481 FUMORKSOBWAPEG-QGZVFWFLSA-N 335.856 3.964 0 1 EHAF C[C@@H](CCc1ccccc1)[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962919743 LCVNTVZKDHMABA-AGRHKRQWSA-N 327.399 3.735 0 1 EHAF CCCn1c(C)cc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1C 963028473 PDIUEKOAWNBNJG-YCRPNKLZSA-N 337.467 3.658 0 1 EHAF CN(C)CCCc1c(/C=C2\C(=O)Nc3ccccc32)[nH]c2c1CCCC2 13588470 FWTOUWIXFUMZEK-JXAWBTAJSA-N 349.478 3.880 0 1 EHAF COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccc(Cl)cc2)cc1 169299085 RETFPVAKHLMRAT-ROUUACIJSA-N 342.826 3.858 0 3 EHAF FC(F)(F)c1ccc(-c2nc3ccc([C@@H]4CNCCO4)cc3o2)cn1 205124606 JGTOJOKRBLWQLT-AWEZNQCLSA-N 349.312 3.570 0 1 EHAF Cc1ccc2[nH]ccc2c1N1CCN(C(=O)Nc2ccccc2)CC1 1148683095 RBQKSHWFLVPAES-UHFFFAOYSA-N 334.423 3.830 0 1 EHAF CCc1ccc2nc(N3CCC(C(=O)NC(C)C)CC3)sc2c1 213138 VSUSUXXHEMJUCP-UHFFFAOYSA-N 331.485 3.600 0 1 EHAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 2356300432 KLMHSZDBXYZWAK-NOLJZWGESA-N 340.389 3.556 0 1 EHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc(Cl)cc1 103522697 HDAJKNDDOIPHFG-XERWBJCMSA-N 335.787 3.761 0 1 EHAF C=CCc1ccc(O[C@@]23C[C@@H](CC=C)C(=O)C=C2OCO3)c(OC)c1 13453954 OVKOILXZORKADM-QRWLVFNGSA-N 342.391 3.552 0 1 EHAF biogenic Cc1c(-c2ccc(OCCn3ccnc3)cc2)[nH]c2ccccc2c1=O 84652819 WRYRFRXPJNLIEJ-UHFFFAOYSA-N 345.402 3.779 0 1 EHAF CC(=O)Nc1ccc(Oc2ccc([S@@](=O)C[C@@H]3CS3)cc2)cc1 473090614 WWTIQZDEOKXNTE-HJPURHCSSA-N 347.461 3.660 0 1 EHAF Clc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cn1 587006618 JZKLXDNSFPWAIN-UHFFFAOYSA-N 348.591 3.689 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cccnn1 587865815 KEZIIMOGYVRTCH-UHFFFAOYSA-N 348.328 3.806 0 1 EHAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(Cl)ccnc2[nH]1 587041527 XBAMPATVJJZWFM-VIFPVBQESA-N 340.836 3.594 0 1 EHAF COc1cc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1F 587173893 CKZJWRXHGGMRQK-CYBMUJFWSA-N 342.349 3.574 0 1 EHAF Cc1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1C 587194502 VAHQKHVOWKENOD-CQSZACIVSA-N 346.475 3.697 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1nccs1)O2 587413866 QKZWINOSXFPUQB-HNNXBMFYSA-N 325.393 3.531 0 1 EHAF Cc1coc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587774922 OJHJWZSUYDLIQZ-FUXBKTLASA-N 325.181 3.508 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C2CC2)N1 587813152 BJGKGXQBSJQRJB-JDNHERCYSA-N 340.236 3.707 0 1 EHAF Cc1c(-c2cnn(C)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986832 FGZHUNJPXPDIBV-UHFFFAOYSA-N 341.370 3.861 0 1 EHAF Cc1ccc2c(ccc3nc(CC(=O)OCc4ccccc4)[nH]c32)n1 587782203 IMXBQDJVNIRORS-UHFFFAOYSA-N 331.375 3.705 0 1 EHAF Cc1c(Br)cc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2c1C 586907808 XPKXBOPVYBHJGY-SECBINFHSA-N 337.217 3.751 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc4[nH]nc(Cl)c4c1)[C@@H](C2)C3=O 587420816 MBZCLXBAJCRNIL-SJCJKPOMSA-N 340.766 3.714 0 1 EHAF O=C1c2ccccc2-c2c(C[C@H]3CCOC3)cnc3ccc(O)c1c23 586992860 ZBOHVFCLSKLZPW-GFCCVEGCSA-N 331.371 3.731 0 1 EHAF Cc1[nH]c2c([C@@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)cccc2c1C 963023492 JUXXLICTTIKHLG-SPLOXXLWSA-N 345.446 3.927 0 1 EHAF Cc1ccc([C@]2(Cc3ccncc3)NCCc3ccc(O)cc32)cc1 963343433 VZWFLQNDZOQUJJ-QFIPXVFZSA-N 330.431 3.728 0 1 EHAF CCc1cc(CNC)cc(OCc2ccc3c(C)cc(N)nc3c2)c1 1772633426 YRXIWPFDEWMIOD-UHFFFAOYSA-N 335.451 3.986 0 1 EHAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)cc3)ncc12 1772633865 JUKAXWXNFKBLNN-SECBINFHSA-N 345.790 3.503 0 1 EHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](CC(=O)O)C2=O 13681822 DIVODIURBCPHCK-KKFGISDUSA-N 328.408 3.518 0 1 EHAF O=C(O)CCN1CCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1 1857563328 QKIIMGYFVXGJBA-INIZCTEOSA-N 337.379 3.501 0 1 EHAF CCOCc1nc2c(=N)[nH]c3cc(Cl)ccc3c2n1CC(C)C 1911583291 VKGYJTKACRVLNG-UHFFFAOYSA-N 332.835 3.843 0 1 EHAF O=C(N[C@@H]1CCCc2ccccc21)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 101762203 GVLXTBMWZDIKCU-PXWGPDOFSA-N 325.452 3.512 0 1 EHAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1F 116231794 GNRXVCZFRPECGI-UHFFFAOYSA-N 339.370 3.979 0 1 EHAF O=C1CCc2ccccc2C1(Cc1ccncc1)Cc1ccncc1 27977426 NZTWILOSYYXEJO-UHFFFAOYSA-N 328.415 3.715 0 1 EHAF COc1c(C)c(O)c(C=O)c2c1[C@@H](OC)C[C@@H](c1ccccc1)O2 15217556 YQWKJLXULCUUKI-GJZGRUSLSA-N 328.364 3.733 0 1 EHAF biogenic CC(C)CCN1CCC2(CC1)OCCc1c2cnn1-c1ccccc1 72114875 BGONCWNJYFFRJI-UHFFFAOYSA-N 339.483 3.782 0 1 EHAF CCOC(=O)c1c(O[C@@H]2CCC[C@H](C)[C@@H]2C)c(CC)c(C)[nH]c1=O 40431102 WSTNUSIDCUJELH-SLEUVZQESA-N 335.444 3.626 0 1 EHAF Cc1noc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)n1 144722682 PKLHDMPVOCHSBW-INIZCTEOSA-N 332.281 3.824 0 1 EHAF Nc1nccn2c(C3CCC3)nc(-c3ccc(C[C@H]4CCCO4)cc3)c12 96168095 MEIGYLFIXRUSSD-QGZVFWFLSA-N 348.450 3.968 0 1 EHAF c1ccc(-c2ncc(-c3c[nH]c(CCc4cccnc4)n3)cn2)cc1 144751903 AVKOSEPLIZVSMM-UHFFFAOYSA-N 327.391 3.714 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@H]2C1 238737771 BTWJKKIMLXVHOF-YEDCBCNDSA-N 332.440 3.953 0 1 EHAF COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)CCC(N)=N2)cc1 95921321 MLDNPVIFXVSEGX-OAQYLSRUSA-N 344.418 3.547 0 1 EHAF in-vitro COc1ccc(C[C@@H](C)c2nc3ccnc(Cl)c3[nH]2)cc1OC 587927418 UKPSLWHKKWRKKQ-SNVBAGLBSA-N 331.803 3.975 0 1 EHAF CN(C)CCOc1ccc2nc(CNc3ccccc3Cl)[nH]c2c1 587062271 QDAYABUQNIHWKI-UHFFFAOYSA-N 344.846 3.769 0 1 EHAF C[C@H](CC(=O)O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990930 OGAPNDBNMUNZLW-SNVBAGLBSA-N 333.343 3.730 0 1 EHAF COc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1C 586997751 UFJBAINMTDLRNO-OAHLLOKOSA-N 347.212 3.724 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCc1ccco1 587872068 GMEXTFBQUJPKGW-UHFFFAOYSA-N 345.399 3.604 0 1 EHAF CC[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 587410578 YJUMSFOHCAHUDU-LJQANCHMSA-N 325.364 3.577 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@]3(C)O[C@@H]23)N1 587840550 ZEMPOGVLCULDIS-OSBCIYBTSA-N 340.236 3.659 0 1 EHAF Clc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cn1 587004517 VRTWCYMBSKQOMN-UHFFFAOYSA-N 348.591 3.917 0 1 EHAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 587068716 BRZFGXLZHUEWOA-SECBINFHSA-N 339.201 3.689 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(F)c1-n1cccn1)O2 587382534 SDYQXEXNSXCZTN-QGZVFWFLSA-N 337.354 3.609 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1C[C@@H]2C=C[C@H]1C2 587604934 VYZINUFXSGILQS-BZCXNRGFSA-N 334.371 3.935 0 1 EHAF CCOc1ccccc1OCc1nc2cc(OC)cc(OC)c2[nH]1 587780625 WGGGZENRGJFQIX-UHFFFAOYSA-N 328.368 3.558 0 1 EHAF COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C(N)=O)c1 1772614334 SDBDFJVQVAYINN-UHFFFAOYSA-N 346.386 3.713 0 1 EHAF CCN(CC)CCCNc1ncc(C)c2c1c1cnccc1n2C 5139280 SFHINVDDPUSFOC-UHFFFAOYSA-N 325.460 3.574 0 1 EHAF CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 767865 NAEAQJCWPRNAQC-WBVHZDCISA-N 346.789 3.659 0 1 EHAF CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1577703 LKQDFQLSEHWIRK-FVRKDBNCSA-N 334.500 3.710 0 1 EHAF CCN1CCN(C(=O)c2cc3c(s2)-c2ccccc2SC3)CC1 58070707 NDUQRLWIFBEYOE-UHFFFAOYSA-N 344.505 3.799 0 1 EHAF CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924836 FGDFFHLIMDMCJI-PNZAEPHISA-N 334.500 3.566 0 1 EHAF endogenous,in-man COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)CCC(C(C)C)=C1C[C@H](O)[C@@H]2C 2356754829 PLJKAXMGXOUMBM-OVBLOAMVSA-N 334.500 3.854 0 1 EHAF COc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1-c1cn[nH]c1 213920316 CYPOEEIUKVOVGO-GFCCVEGCSA-N 339.370 3.715 0 1 EHAF Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCCC2)ncn1 49033236 GBLRSAQQHUKUBZ-UHFFFAOYSA-N 340.427 3.878 0 1 EHAF Cc1cnc(N2CCSCC2)nc1N[C@H]1C[C@@H](C)CC(C)(C)C1 82202600 NCNIQPVXMZBBAY-HIFRSBDPSA-N 334.533 3.965 0 1 EHAF Cc1cnc(N[C@@H](C)c2ccccc2)nc1N1C(=O)OC[C@@H]1C(C)C 142138194 YGAJEOANPDKAOV-GOEBONIOSA-N 340.427 3.939 0 1 EHAF Cn1c(CCc2ccc3ncccc3n2)nc2c3cccnc3ccc21 95572896 AHWABUMXYAQNGX-UHFFFAOYSA-N 339.402 3.850 0 1 EHAF Cc1nc(N2C(=O)CS[C@@H]2c2ccccc2Cl)nc(C)c1C 95564451 IOKNTSLYECPHHU-OAHLLOKOSA-N 333.844 3.834 0 1 EHAF CN1Cc2cc(NCCO)ccc2[C@@H](c2ccc3sccc3c2)C1 299824303 AKCCORFIPGKYKO-LJQANCHMSA-N 338.476 3.883 0 1 EHAF COc1c(F)ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1N 587133627 WULPNFDYUDGATP-UHFFFAOYSA-N 325.265 3.979 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccns2)N1 587854466 BWICZDYFRLOUSU-RTHLEPHNSA-N 341.249 3.842 0 1 EHAF N=c1[nH]cc2nc(/C=C\c3ccccc3Oc3ccccc3)nc-2[nH]1 587949215 BWJCQAUGDHWPKU-KHPPLWFESA-N 329.363 3.680 0 1 EHAF O=S(=O)(Cc1ccccc1-c1nc2cnccc2[nH]1)c1ccccc1 586922401 UNSJHOZRCGDWCO-UHFFFAOYSA-N 349.415 3.599 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(OC)ccc4n1C)[C@@H](C2)C3=O 587432183 UOZLCENZYQHWSO-YCRPNKLZSA-N 349.386 3.684 0 1 EHAF O=C(O)Cc1c(-c2ccc(F)c(F)c2)nc2cccc3c2c1CC3 587210305 NRBVBEVKKFSOJY-UHFFFAOYSA-N 325.314 3.906 0 1 EHAF O=C1c2ccc(O)cc2O[C@@]2(CCn3cccc32)[C@H]1c1ccc(F)cc1 587339961 RJEARERHASDINQ-PZJWPPBQSA-N 349.361 3.991 0 1 EHAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587770360 IVPWMYDEYLSVAC-QFYYESIMSA-N 335.220 3.915 0 1 EHAF COC(=O)Nc1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 587243769 QEXFMPFEKLVRRT-UHFFFAOYSA-N 347.172 3.566 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc4c(cc1OC)CCC4)[C@@H](C2)C3=O 587444519 TZQHQXYXJIJXRY-HRAATJIYSA-N 336.387 3.681 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1oc4ccccc4c1N)[C@@H](C2)C3=O 587434502 WNQSFPILEQNRIG-RBZFPXEDSA-N 335.359 3.686 0 1 EHAF CCOc1ccccc1OCc1nc2cncc(Br)c2[nH]1 587780706 YZAZYZNMOPLENG-UHFFFAOYSA-N 348.200 3.698 0 1 EHAF COC(=O)C(=O)c1c(-c2cccnc2)[nH]c2c(C)cc(Cl)cc12 587626059 CMWAJQAYRCGFKL-UHFFFAOYSA-N 328.755 3.547 0 1 EHAF CC(C)Oc1cc2nc(C[C@@H](C)N(C)C)[nH]c2cc1Br 587192673 YXHGISTUHQQNOS-SNVBAGLBSA-N 340.265 3.605 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1Cl)[C@@H](C2)C3=O 587420535 QFADRWIZHKGOKQ-KPZWWZAWSA-N 330.767 3.846 0 1 EHAF C[C@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576520 HDSZEJOZYMUDPP-WIYYLYMNSA-N 347.370 3.851 0 1 EHAF O=Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587604788 YNFWTTHQXMBPLO-WIYYLYMNSA-N 346.338 3.908 0 1 EHAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cncnc3[nH]2)c1 587198836 RZWFKVVIUMMEFF-UHFFFAOYSA-N 339.399 3.700 0 1 EHAF C[C@](O)(c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12)C(F)(F)F 587638016 SKJPVUFSCHSBPD-NSHDSACASA-N 341.207 3.655 0 1 EHAF NC(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131255 AMWMHIRXRRWFBG-UHFFFAOYSA-N 327.334 3.543 0 1 EHAF COc1cc2c3c(c1)O[C@@H](CCc1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587426446 NVNMHKPMBJQFMU-ZBFHGGJFSA-N 342.366 3.592 0 1 EHAF O=C(O)c1ccnc(-c2cn(CCc3cccc(Cl)c3)cn2)c1 225945699 BESMUAVQUOPJOH-UHFFFAOYSA-N 327.771 3.539 0 1 EHAF Cc1ccc2c(C)c(C(=O)N3CCN(c4ccncc4)CC3)oc2c1C 12072564 KEABGQGSDUPMFG-UHFFFAOYSA-N 349.434 3.715 0 3 EHAF CN(C)CCNc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12 13761233 GAWCNEFBSQRVAI-UHFFFAOYSA-N 341.842 3.822 0 1 EHAF CC(=O)Nc1cccc(-c2ccc(CC(=O)NCc3ccco3)cc2)c1 169351975 PMQNTVFESMUTOW-UHFFFAOYSA-N 348.402 3.764 0 1 EHAF CC(C)N1CCC[C@@H](NC(=O)c2c(Cl)cccc2Cl)CC1 1857604317 IPVHAHFWPXTHLM-GFCCVEGCSA-N 329.271 3.986 0 1 EHAF c1ccc2c(c1)C[C@@H]1c3cc(CC4CCNCC4)sc3CCN1C2 1857631015 KEPCDSWIJBRMCX-HXUWFJFHSA-N 338.520 3.946 0 1 EHAF CN[C@@H](Cc1cc(Br)ccc1N)c1sccc1C 11689159 JTYQCFCUCXGIFP-ZDUSSCGKSA-N 325.275 3.904 0 1 EHAF CC(C)CC(=O)NCC1CCC([C@H](c2ccccn2)N(C)C)CC1 19446720 XXXXXRSURBEUEF-LBXVMSDZSA-N 331.504 3.653 0 1 EHAF Nc1ccc(-c2cc(=O)c3c(N)c(F)c(Cl)c(F)c3o2)cc1F 26181023 MRXZODZOKDGGHD-UHFFFAOYSA-N 340.688 3.695 0 1 EHAF Cc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1 28393837 QHCGIZIPARWWFS-UHFFFAOYSA-N 331.354 3.839 0 1 EHAF Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12 29129658 UYICFVSQIQCCIA-UHFFFAOYSA-N 344.378 3.851 0 1 EHAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3nccs3)cc1)O2 35941750 JIQLOBNPZMPPDO-JONQDZQNSA-N 329.421 3.634 0 1 EHAF NC(=O)c1sc2nc3c(c(-c4ccoc4)c2c1N)CCCCCC3 49111010 ZQCKXIWNXAGQNH-UHFFFAOYSA-N 341.436 3.896 0 1 EHAF COc1ccc(-c2cnccn2)c2cc(C(=O)Nc3ccncc3)oc12 49113462 CUMOYQKOANCFEZ-UHFFFAOYSA-N 346.346 3.546 0 1 EHAF O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccno1 96914427 GVTPBDKKOLTELI-UHFFFAOYSA-N 340.726 3.784 0 1 EHAF CC(C)c1cc(C(=O)O)c([C@@]2(C)CCC[C@@]3(C)COC(=O)[C@H]23)cc1O 140763175 XEYFSNHIPLMFRB-FFZOFVMBSA-N 346.423 3.835 0 1 EHAF Cc1cccc(F)c1N1C[C@@H](C(=O)Nc2cccc(Cl)c2)CC1=O 205766138 UNLPOMAEVBVRJD-LBPRGKRZSA-N 346.789 3.779 0 1 EHAF C[C@@H]1C2=CC(=O)OC2=C[C@@H]2[C@@H]1CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 238730941 PXLAMDZQSUFKAD-CMWJJRDCSA-N 330.424 3.927 0 1 EHAF C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 299821146 WABPWKRYVLWCHS-HGSZHJPXSA-N 345.483 3.621 0 1 EHAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]12C 299872635 QIVOTMOKECOCJC-KEXTXCCRSA-N 334.500 3.566 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2c1 586888146 WOGQTAUPRODUQS-VWYCJHECSA-N 344.798 3.642 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Cl)ncc2[nH]1 586917278 RXQAUBMWHAIJON-KZULUSFZSA-N 341.798 3.828 0 1 EHAF CCS(=O)(=O)c1ccccc1-c1nc2cc(C)c(Cl)cc2[nH]1 586921767 FQCGFYWNFYLIPM-UHFFFAOYSA-N 334.828 3.985 0 1 EHAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(Cl)cc3[nH]2)c1 586921804 GETZJIAUTBAQOY-UHFFFAOYSA-N 334.828 3.601 0 1 EHAF Cc1c(Cl)ccc2nc(CSc3nnc(S)s3)[nH]c12 587025870 SEAKXCLPBIXTNR-UHFFFAOYSA-N 328.875 3.957 0 1 EHAF O[C@@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1Cl 587058592 HIKQTHJFNQGRCD-LLVKDONJSA-N 328.586 4.000 0 1 EHAF O=C(CCc1nc2cc(F)c(F)c(F)c2[nH]1)Nc1cccc(F)c1 587163569 RREFLKDBEAKHSP-UHFFFAOYSA-N 337.276 3.691 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1occc1Br)O2 587376771 KHESHXRFSOMYDU-OAHLLOKOSA-N 336.185 3.813 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)(c1cccs1)O2 587413115 MGUDSVQDMGIPMT-IBGZPJMESA-N 336.416 3.943 0 1 EHAF COc1cc2c3c(c1)O[C@]1([C@H]4C[C@H]5C[C@@H]1C[C@@](Cl)(C5)C4)[C@@H](C2)C3=O 587420935 JPWASGNALZKXGE-ZFSQADPSSA-N 344.838 3.999 0 1 EHAF C[C@@]1(c2[nH]nc3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587525576 NWTVIKSJFNJJGO-FQEVSTJZSA-N 333.391 3.717 0 1 EHAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587589146 UDVHLKDUPKVMFN-YLJYHZDGSA-N 333.343 3.799 0 1 EHAF CC(C)OC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591815 FBZDJTGAVXNQMT-VQIMIIECSA-N 328.364 3.538 0 1 EHAF CC(C)O[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587598899 CCQXWDUYEKPDFJ-HLIPFELVSA-N 340.375 3.680 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2OC2(C)C)N1 587831666 IQFOAZVBKCYBPD-YVILZHTOSA-N 328.225 3.515 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CCCOC2)N1 587835548 PLTZWJFMRWOSDT-PSLIRLAXSA-N 326.209 3.510 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cscn2)N1 587851410 BRYJWBLDXMKDIR-UHLUBPPHSA-N 327.222 3.668 0 1 EHAF COc1nc(N2CCCC2)ccc1[C@H]1NCCc2c1sc(C)c2C 963019398 GWPDKNKNYFCFJO-QGZVFWFLSA-N 343.496 3.604 0 1 EHAF CCCCn1c(O)c2n(c1=O)Cc1ccccc1N=C2c1ccccc1 1779851378 IWQPCEIUTLBJQE-UHFFFAOYSA-N 347.418 3.686 0 1 EHAF Cc1cn2ccc(N3CCN(c4cncc5ccccc45)CC3)cc2n1 1857578449 XOHXODIIMIEHPW-UHFFFAOYSA-N 343.434 3.518 0 1 EHAF Cc1nc[nH]c1CCCCNC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C1(C)C 1857642942 QHSUSPBVSNKVPY-MSOLQXFVSA-N 343.446 3.736 0 1 EHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](O)[C@@]2(C)O 2356532335 JWWWAEIMVGEDRK-DHLLDYARSA-N 338.488 3.762 0 1 EHAF COc1cc(OC)c2c(=O)c(-c3ccccc3)c(C)oc2c1OC 3472674 BFCBHPPLWHZOIQ-UHFFFAOYSA-N 326.348 3.794 0 3 EHAF biogenic,in-vitro CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 772942 SAZDOYSOSRVVEC-NVXWUHKLSA-N 346.789 3.659 0 1 EHAF CN(Cc1cccc2ccccc12)c1ccc2nc(N)nc(N)c2c1 3814866 XPVNRORENSGCQA-UHFFFAOYSA-N 329.407 3.584 0 1 EHAF N=C(N)c1ccc(Oc2cccc(Oc3ccc(C(=N)N)cc3)c2)cc1 12354909 XWYDBEAPGXZEHX-UHFFFAOYSA-N 346.390 3.839 0 1 EHAF CCCCn1nc2c3ccccc3n(Cc3cccc(N)c3)cc-2c1=O 26648541 REEBQUBUIWCBKJ-UHFFFAOYSA-N 346.434 3.733 0 1 EHAF CCC[C@H]1C[C@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1N2C 27421129 NYHLSJFRSGAHTE-HVTWWXFQSA-N 329.484 3.917 0 1 EHAF O=C1NC(=O)/C(=C/c2cc(F)ccc2OCc2ccccc2)S1 28360053 CHNUHWFFDXZFSU-DHDCSXOGSA-N 329.352 3.729 0 1 EHAF COc1cccc2c(=O)oc(-c3ccccc3Br)nc12 28382531 JDCWLTKCBBFHDD-UHFFFAOYSA-N 332.153 3.626 0 1 EHAF CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1 28821272 YKESQPGCPVQXIU-UHFFFAOYSA-N 346.515 3.708 0 1 EHAF CC(=O)O[C@H]1C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccccc1 29318599 RVFARYZDHOFDPL-WOJBJXKFSA-N 331.371 3.859 0 1 EHAF COc1ccc2[nH]c([C@@H]3CCN(Cc4ccc(F)c(F)c4)C3)nc2c1 51076776 MXFMOTDEWPHQOX-CYBMUJFWSA-N 343.377 3.839 0 1 EHAF biogenic COc1cc2[nH]c(C)c(/C=C/C(=O)OC(C)(C)C)c(=O)c2cc1Cl 64541150 RKGYVWAKNRSOJG-VOTSOKGWSA-N 349.814 3.853 0 1 EHAF Cc1ccc(-c2nc3cc(NC(=O)CN4CCCC4)ccc3[nH]2)cc1 72106663 HIJKKOGFITTXIL-UHFFFAOYSA-N 334.423 3.573 0 1 EHAF COc1ccc(CN2C[C@@H]3CCC[C@@H]2CN3Cc2ccccc2)cc1 103290063 GMUOMGSEWQGKDD-LEWJYISDSA-N 336.479 3.934 0 1 EHAF O=C(Nc1cc(Cl)c(F)cc1-c1ccccc1)NC1(C(=O)O)CC1 218414898 NCEAGHYBYGWNMV-UHFFFAOYSA-N 348.761 3.885 0 1 EHAF Oc1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006113 HUEODFHJGLBUTC-UHFFFAOYSA-N 328.169 3.951 0 1 EHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc3ncccc3c2[nH]1 587051831 FUKIQKZMYBYQKS-CYBMUJFWSA-N 338.798 3.713 0 1 EHAF COc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1OC 587070558 PHUAUNVPCNOGOV-LBPRGKRZSA-N 345.830 3.519 0 1 EHAF CN(C)CCOc1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587162624 XTPBLQQGRSAVCK-IRXDYDNUSA-N 339.414 3.914 0 1 EHAF Fc1ccc2[nH]cc(Cc3nc4cnc(C(F)(F)F)[nH]c-4n3)c2c1 587174314 HDLVJWSAABVTKV-UHFFFAOYSA-N 335.264 3.535 0 1 EHAF COC(=O)c1cccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c12 587258240 BTOPHEGRUGCVIT-KRWDZBQOSA-N 345.402 3.745 0 1 EHAF CC1(C)OC=C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587359504 YSCPNGPXBNYHRC-YLJYHZDGSA-N 340.350 3.952 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC(F)F)c1)[C@@H](C2)C3=O 587422256 CPLJFAFQGMPXJU-GUYCJALGSA-N 332.302 3.785 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)nc1Cl)[C@@H](C2)C3=O 587424469 ZSKFAEFSQAMLEM-BONVTDFDSA-N 336.174 3.886 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(OC)c1)CC2=O 587475579 AVYHSJCTKABLGI-KRWDZBQOSA-N 328.364 3.765 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)OCO3)CC2=O 587493176 SRDKCXMCKXDVOE-QGZVFWFLSA-N 326.348 3.780 0 1 EHAF CCOc1cc(-c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)ccc1C 587779890 ITYLEPRUFFNRNW-UHFFFAOYSA-N 344.436 3.731 0 1 EHAF Clc1cc(Br)c2[nH]c(CCOCC3CC3)nc2c1 587785012 XLWJCFWQVFSRSR-UHFFFAOYSA-N 329.625 3.948 0 1 EHAF CC(C)O[C@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587810266 KCGGNHWMQXTZFM-AKWBHNSASA-N 342.252 3.905 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](C)C2=O)N1 587822837 MPVRPISOHVYUJV-XIZWVBILSA-N 340.236 3.707 0 1 EHAF CCC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)COC1 587832040 ATRSMZPXACPKDX-OTYXRUKQSA-N 328.225 3.590 0 1 EHAF C[C@H](CCC(=O)O)Cc1nc2ccc(Br)c(F)c2[nH]1 587962196 AWCBOKJNCYVRAH-SSDOTTSWSA-N 329.169 3.508 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C(=O)O)(c2ccccc2F)N1 962961582 XPFNKXHMIVKDNE-FKIZINRSSA-N 338.382 3.560 0 1 EHAF C[C@@H]1CO[C@]2(C)Oc3cc4c(cc3C[C@H]12)C[C@@H]1[C@H](C)CO[C@]1(C)O4 2356645825 GKWTWWJVLKOABN-NCNUWRQDSA-N 330.424 3.554 0 1 EHAF CN1O[C@](C)(CC(=O)Nc2ccccc2)N=C1c1cccc(Cl)c1 74374631 NAHDILFOTNXGKP-GOSISDBHSA-N 343.814 3.709 0 3 EHAF Cc1c(-c2ccccc2)[n+]([O-])c(-c2ccc(Cl)cc2)c(C)[n+]1[O-] 2845450 RPQOPPBHEFQEND-UHFFFAOYSA-N 326.783 3.558 0 1 EHAF CC(C(=O)O[C@@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 3642692 WOPPGGGGQFNBFL-HXUWFJFHSA-N 335.447 3.630 0 1 EHAF c1ccc2c(c1)O[C@H](N1CCCCC1)c1cnc(N3CCCC3)nc1-2 29207860 CYEUFERVPRLJQW-IBGZPJMESA-N 336.439 3.621 0 1 EHAF CC1([C@H]2Cc3cc(C[C@@H]4SC(=O)NC4=O)ccc3O2)CCCCC1 26953174 ZLMTUWOFDPKKQN-JKSUJKDBSA-N 345.464 3.855 0 1 EHAF COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(Br)cc1)S2 101103137 RARSABFRLWAEFW-RQJABVFESA-N 341.270 3.990 0 1 EHAF CO[C@H](C(=O)Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(Cl)cc1 117721684 GOVLTNJMPDLEMK-QAPCUYQASA-N 344.842 3.743 0 1 EHAF C[C@H](CCO)CC[C@]1(C)[C@H](C)CC[C@@]2(CO)C(C(=O)O)=CCC[C@@H]21 2356646760 OJYNMAREYBQEPO-LHPFGNHRSA-N 338.488 3.621 0 1 EHAF O=C1CS[C@H](C23CC4CC(CC(C4)C2)C3)N1CCN1CCCCC1 28713225 CESNWDLEXHYWHC-OFGIBPIPSA-N 348.556 3.590 0 1 EHAF O=C(NCCc1cccs1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12 73157492 CVJDWPOZUNTTIU-UHFFFAOYSA-N 336.420 3.592 0 1 EHAF Fc1cccc(-c2nc3c(NCCc4ccccn4)nccc3[nH]2)c1 74386543 AASGWABUCKCKAA-UHFFFAOYSA-N 333.370 3.814 0 1 EHAF CS(=O)(=O)c1ccc(-c2ssc(=O)c2-c2ccccc2)cc1 40405274 BRKACCZUYVTYIY-UHFFFAOYSA-N 348.470 3.907 0 1 EHAF O=C(NCCC1=CCCCC1)c1coc(-c2ccc3c(c2)OCO3)n1 82086239 MPRYZNYINOUDGA-UHFFFAOYSA-N 340.379 3.691 0 1 EHAF Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1 43059617 ROZDWXUZSYSLTR-JTQLQIEISA-N 340.210 3.707 0 1 EHAF in-vitro CCN(C)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1 82133813 HDLZIVOLHUDTLB-UHFFFAOYSA-N 338.455 3.980 0 1 EHAF c1ccc(-c2nccnc2C2CN(c3nncc4ccccc34)C2)cc1 140179699 WBGUTSYAZIDDNF-UHFFFAOYSA-N 339.402 3.691 0 1 EHAF C[C@H]1C[C@H](N2CCc3cc(NC(=N)c4cccs4)ccc32)CCN1 95559115 VMFWQYNIDQYSKD-XJKSGUPXSA-N 340.496 3.689 0 1 EHAF CC(C)=CCc1cc2c(cc1O)OC(=O)[C@@H]1c3ccc(O)cc3O[C@H]21 34646699 ONTGHSPILBIJMK-RTBURBONSA-N 338.359 3.743 0 1 EHAF biogenic CS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587152783 QOPAWYBLFGBAPN-NWDGAFQWSA-N 348.374 3.516 0 1 EHAF Cc1nnc(-n2nc3cc2Oc2ccc(F)cc2-3)n1-c1ccccc1 587875947 VYHGFNWRGXETLM-UHFFFAOYSA-N 333.326 3.673 0 1 EHAF Brc1c[nH]c2nc(CCc3cc4ccccc4o3)nc-2n1 586902822 CITWCZHKGSNBCN-UHFFFAOYSA-N 343.184 3.598 0 1 EHAF Cc1nc(COc2cccc(-c3nc4ccnc(O)c4[nH]3)c2)cs1 587020895 ZTUMZNQHSNGKJR-UHFFFAOYSA-N 338.392 3.674 0 1 EHAF COC(C)(C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587789967 DWWOZPYVUSCZJW-PSLIRLAXSA-N 330.241 3.763 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@@H]3C(=O)O 587207989 ZTCCJTNSEDUATJ-AWEZNQCLSA-N 329.355 3.951 0 1 EHAF COc1cc(-c2nc3cc(Cl)cnc3[nH]2)nn1-c1ccccc1F 587155959 JRMJBCGPFZFPFT-UHFFFAOYSA-N 343.749 3.612 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1[C@@H](C(=O)OC(C)(C)C)C1(C)C)O2 587401979 ULDJIGYEDDVIOC-PMPSAXMXSA-N 345.439 3.525 0 1 EHAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccc(F)nc1F 962374150 NYHWVJISTANHJW-QGZVFWFLSA-N 345.418 3.908 0 1 EHAF Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cc(C(C)C)n[nH]2)C1 11664014 PLAQKQHDPRQZQQ-CQSZACIVSA-N 331.485 3.998 0 3 EHAF C[C@]1(c2nnc(Cc3ccccc3)o2)CC(c2cccc(F)c2)=NO1 12726033 SKDDNYXLTAFCCS-LJQANCHMSA-N 337.354 3.839 0 3 EHAF O=C(N[C@@H]1CCCc2ccccc21)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 13135735 GVLXTBMWZDIKCU-SZGBIAQMSA-N 325.452 3.512 0 1 EHAF Cc1ncc(C)n2nc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)nc12 1857631051 ZOZHIFOCCJPYGJ-UHFFFAOYSA-N 340.390 3.951 0 1 EHAF CCOc1ccc([C@@H]2C[C@@H](c3ccc(C)c(C)c3)Nc3nnnn32)cc1 2919602 SDPAEQSWGPJHMW-OALUTQOASA-N 349.438 3.835 0 1 EHAF Cc1ccc2oc(=O)c3cc(C(=O)Nc4cc(C)on4)sc3c2c1 4939283 OFXPXZLSOVWRRJ-UHFFFAOYSA-N 340.360 3.865 0 1 EHAF C[C@@H](NC(=O)N1C(=O)C[C@H]1SCc1ccccc1)c1ccccc1 6494411 YSIYYNWVNIFWQJ-RDTXWAMCSA-N 340.448 3.949 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3ccc(O)cc3CC[C@H]21 100620812 DVSRNXVDLALNTQ-TZIWHRDSSA-N 346.430 3.985 0 1 EHAF C/C=C1/C(=O)O[C@@H]2CC(C)=C([C@H](C)CCCC(C)=O)[C@@H](OC(C)=O)[C@H]12 59587919 UKRMILBDFWSESA-MGUGEENMSA-N 348.439 3.522 0 1 EHAF biogenic,in-vitro CCO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@H]1c1cccnc1 101502092 WSCWHCGUYUFRNV-HVESIFNPSA-N 334.379 3.933 0 1 EHAF O[C@H](CNc1cc(-c2ccc(Cl)cc2)ncn1)c1ccccc1 103260500 JRKMUBXKUGJNAA-QGZVFWFLSA-N 325.799 3.943 0 1 EHAF CCN1c2ncccc2-c2ncc(C)n2-c2ccc(N3CCCC3)nc21 29468528 SAMGQVAPQBIJDZ-UHFFFAOYSA-N 346.438 3.709 0 1 EHAF C[C@@]1(c2ccc(O)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O 28978494 LDQVCKQENSZRBU-INIZCTEOSA-N 336.174 3.792 0 1 EHAF O=C1Nc2ccccc2[C@H]1CCCCN1CCN(c2ccccc2)CC1 72123327 LYGQIGIJXNWACG-HXUWFJFHSA-N 349.478 3.715 0 1 EHAF COc1cc(CC[C@@H](O)CC(=O)CCc2ccccc2)ccc1C 70455134 AMIHBCGEEMDAQM-HXUWFJFHSA-N 326.436 3.889 0 1 EHAF biogenic,in-vitro CC(C)(O)COc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2 84564509 FMXJFRYNHUCJIE-UHFFFAOYSA-N 345.483 3.548 0 1 EHAF C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CCc1ccccc1 40393999 RUMQBVLWLNKHTD-POCHDABASA-N 348.490 3.552 0 1 EHAF COC(=O)C1=C(N)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 98083854 UMMRDSOZUXURFK-QGZVFWFLSA-N 341.357 3.922 0 1 EHAF O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 143471489 JZYSPVZUKACIEZ-UHFFFAOYSA-N 347.823 3.565 0 1 EHAF Cc1ccc(-c2cnnc(NCc3cc(-c4ccccc4)[nH]n3)n2)cc1 95560764 AEQAPPTUQCEAKM-UHFFFAOYSA-N 342.406 3.849 0 1 EHAF O=C1OCc2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c21)OCO4 32064395 LUPBOBWJAIWMIH-UHFFFAOYSA-N 348.310 3.635 0 1 EHAF biogenic O=C(COc1ccc2oc(=O)ccc2c1)Nc1ccc2ccccc2c1 653811134 ULUZXJBQCLOGIW-UHFFFAOYSA-N 345.354 3.964 0 1 EHAF O=C(COc1cc2ccccc2oc1=O)Nc1ccc2ccccc2c1 653808153 YVJOQXPGNMHVOQ-UHFFFAOYSA-N 345.354 3.964 0 1 EHAF CCCc1sc(=N)[nH]c1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587013020 GQATYRGYDDYPJQ-UHFFFAOYSA-N 342.346 3.950 0 1 EHAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc(F)cc1F 587637316 GKODPWWFMAGRHA-UHFFFAOYSA-N 330.290 3.705 0 1 EHAF COc1ccc(CCCc2nc3cc(Cl)cnc3[nH]2)cc1OC 587926235 LGGVDSVNEUUULC-UHFFFAOYSA-N 331.803 3.804 0 1 EHAF COc1c(F)cc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587382895 VLMJHEQOORKVSW-LBPRGKRZSA-N 347.361 3.831 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncccc1Br)O2 587378565 VRRVEYPTMDVXSO-INIZCTEOSA-N 347.212 3.615 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCSCC2 587620099 XDIDSJQHHAEWEX-OAHLLOKOSA-N 328.389 3.620 0 1 EHAF CC[C@H](O)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 586900334 FYNPGLCSMSKJRU-LBPRGKRZSA-N 327.222 3.804 0 1 EHAF CC[C@@]1(c2ccc(O)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587401400 XNMQLAAMIYWSAB-IBGZPJMESA-N 327.380 3.562 0 1 EHAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cnncc3[nH]2)c1 587241553 VTFPJGBLFVJCSH-UHFFFAOYSA-N 330.395 3.963 0 1 EHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)cc(C)c3[nH]1)C2 587246301 FYYIOZPELNHINV-LJQANCHMSA-N 341.842 3.876 0 1 EHAF COc1ccccc1CC(=O)c1nc2c(Cl)nc(Cl)cc2[nH]1 587931829 UBBDFYLMJGMCDS-UHFFFAOYSA-N 336.178 3.699 0 1 EHAF Nc1c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc2ccccc12 587253330 HWWJMOIBSKVXGL-UHFFFAOYSA-N 328.375 3.850 0 1 EHAF Cc1cccc2[nH]cc([C@@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)c12 963027315 NUQMFTZCCLGDFS-LRTDBIEQSA-N 331.419 3.619 0 1 EHAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C 1691625 YZZVVLUNOZJXCM-LANMLWSUSA-N 326.436 3.679 0 1 EHAF CC(C)(C)c1cc(C(=O)C[S@@](=O)CC2CC2)cc2c1OCC2(C)C 13779213 ITPACPHPCYAFQJ-XMMPIXPASA-N 348.508 3.996 0 1 EHAF COc1ccc2sc(-n3c(O)c4c(c3O)CC(C)=CC4)nc2c1 169689711 WKAXZESZCYMRQE-UHFFFAOYSA-N 328.393 3.552 0 1 EHAF C[C@@H](O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 1857610108 OFWWSHNAQHDEIN-DAWPJYNSSA-N 334.500 3.566 0 1 EHAF CCN(CC)C[C@@H](C)OC(=O)[C@H]1CCCC[C@@]1(O)C1CCCCC1 1846345 XPYLKZZOBVLVHB-YVWKXTFCSA-N 339.520 3.762 0 1 EHAF in-man CO[C@]1(C)C[C@@]23CC[C@H]4[C@](C)([C@@H](O)CC[C@@]4(C)C(=O)O)[C@H]2C=C[C@H]1C3 2356332800 JMCDUBQYQMSCGT-SGTDZJLXSA-N 348.483 3.636 0 1 EHAF Cc1c(C(=O)NC[C@H]2C[C@@H]3C[C@H](C2)C3(C)C)ncn1-c1ccccc1 101321139 CQIUWBKHCDNSQM-BJWYYQGGSA-N 337.467 3.983 0 1 EHAF Cc1ccc(C)n1CCCC(=O)N(C)C[C@@H]1CCCN2CCCC[C@@H]12 2356605616 MOUNWOZOZDKKEF-PMACEKPBSA-N 345.531 3.608 0 1 EHAF Cc1ccc(C=C[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1 2356752758 ORKPDSLAYAWIOF-JOCHJYFZSA-N 332.447 3.941 0 1 EHAF COc1cc2c(cc1O)[C@H](c1ccc3c(c1)OCO3)[C@H](C)[C@H](C)C2=O 14726901 PJUJSNARYVMNSV-FDMGOTLNSA-N 340.375 3.730 0 1 EHAF biogenic FC(F)(F)Oc1ccc(CNc2cc(Cl)nc3ccnn23)cc1 40395220 WXSASVGDPLNPKM-UHFFFAOYSA-N 342.708 3.893 0 1 EHAF COc1ccc(Nc2nccc(-c3nc4ccccc4n3C)n2)cc1 84708005 QYUAAGZZXLCOSX-UHFFFAOYSA-N 331.379 3.783 0 1 EHAF CCC(CC)Nc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 82160238 NKZOFIIODUXXTD-UHFFFAOYSA-N 331.416 3.770 0 1 EHAF CCCC[C@H](CC)C[C@@](O)(/C=C(/CC)[C@@H](O)CC(=O)OC)CC 95590644 PVKQNBZAJBAVBB-QHLNRCHPSA-N 328.493 3.994 0 1 EHAF COc1c(O)cc2cc1Oc1ccc(cc1)CCCOC(=O)/C=C\2 238789156 NARIIGSALMKHIM-TWGQIWQCSA-N 326.348 3.696 0 1 EHAF CC(C)C(=O)N(C)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 254047949 UADBUNNUDNCSNG-MZMPZRCHSA-N 338.442 3.508 0 1 EHAF CCN(CC)C(=O)C1=CN(C)/C(=C/C=C2\C=Nc3ccccc32)C=C1 377829995 IJMGRQRIHGVZPB-VKXALQBDSA-N 333.435 3.924 0 1 EHAF CN=c1nc(-c2ccc(C)cc2)c(-c2cc(F)c(O)c(F)c2)c[nH]1 473093289 SZXVKXAUZJIMFQ-UHFFFAOYSA-N 327.334 3.566 0 1 EHAF Fc1ccc(CNC2CCN(Cc3cnc(Cl)s3)CC2)cc1 299867141 XKBBJUZUOSWWDL-UHFFFAOYSA-N 339.867 3.690 0 1 EHAF CN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 299853875 RKDGVPZXUHBKCP-UHFFFAOYSA-N 336.435 3.585 0 1 EHAF C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc(Cl)c(O)cc1O 653633713 YZOMOQFRSNGZMJ-VIFPVBQESA-N 335.762 3.872 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 586917376 CXVDYEDONIWLRH-AWEZNQCLSA-N 344.754 3.515 0 1 EHAF CC(C)Oc1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587024436 AEUKRQYMAGKVQF-UHFFFAOYSA-N 338.483 3.783 0 1 EHAF COc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1F 587090865 AQNPPSBPHLBVKP-UHFFFAOYSA-N 341.264 3.714 0 1 EHAF COc1cccc(CCc2nc3c(Br)ccnc3[nH]2)c1 587930009 CAZZEORYBMXPJZ-UHFFFAOYSA-N 332.201 3.514 0 1 EHAF O=Cc1ccc(OCCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587566329 HCWDCQJAWIVMJI-UHFFFAOYSA-N 336.725 3.929 0 1 EHAF CCOCc1ccc(-c2nc3c(Cl)cc(C(=O)OC)cc3[nH]2)o1 586904062 YVORNFPZOMLWPD-UHFFFAOYSA-N 334.759 3.799 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)ccn1)CC2=O 587486806 LOWXEPSYBVQHSR-IBGZPJMESA-N 327.380 3.629 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc4c(C)cc(=O)oc4c1)[C@@H](C2)C3=O 587450822 GOEBSOZQQOKYCR-YCRPNKLZSA-N 348.354 3.599 0 1 EHAF O=C1c2ccccc2-c2cc(CCn3cccn3)nc3cccc1c23 587104781 IOFSZXZIBWIPPN-UHFFFAOYSA-N 325.371 3.885 0 1 EHAF CCS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587163926 VMLNZTXJHNIWIE-HUUCEWRRSA-N 344.411 3.767 0 1 EHAF CCO[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351687 GXQGRHCEEWNYJO-HBFSDRIKSA-N 342.366 3.828 0 1 EHAF CCOC(=O)c1ccnc([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c1 963097177 FQGBPRVXZPYXLR-VQIMIIECSA-N 340.398 3.507 0 1 EHAF Cc1sc2c(c1C)CCN[C@@]2(Cc1c[nH]c2ccccc12)C(=O)O 963033024 WLFFCTTZXXBNIX-LJQANCHMSA-N 340.448 3.515 0 1 EHAF COc1ccc2c(c1OC)[C@@](C)(c1cc(N)ccc1F)N(C)[C@H](C)C2 962577075 XLWUMDAEWIOGIF-MPBGBICISA-N 344.430 3.565 0 1 EHAF CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cccc(Br)c1 5886358 BKMWUGPRZGMWOW-UHFFFAOYSA-N 349.272 3.665 0 1 EHAF CN1C[C@@H]2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)[C@H]1C2 13456300 VERXRKORTGMYCE-DBVUQKKJSA-N 335.447 3.628 0 1 EHAF CCCCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCC)O2)O1 13535609 XZNKTKFFQRIQAN-BZIXAJQCSA-N 342.520 3.964 0 1 EHAF CCCn1c(=O)c2[nH]c(C(C3CC3)C3CC3)nc2n(CCC)c1=S 13832606 PHSVHWIHVRHART-UHFFFAOYSA-N 346.500 3.979 0 1 EHAF Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@@H](C)C(=O)O)cc2)c1 27526185 DJOLXKNVIMVTDH-LBPRGKRZSA-N 347.798 3.682 0 1 EHAF C[C@@H]1CC(=CC(=O)O)C2OC3(CC(=O)[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]13)O2 2356429819 IZFWOIUEWBPLPY-FQPPSIONSA-N 348.439 3.528 0 1 EHAF CC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 3642690 WOPPGGGGQFNBFL-FQEVSTJZSA-N 335.447 3.630 0 1 EHAF 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VCRHYTWUCCKHCT-UHFFFAOYSA-N 331.366 3.927 0 1 EHAF CC1=CC=C[C@H](C)C(=O)C[C@H](C(C)C)[C@H]2C=C(CC(=O)C1)C(=O)O2 253664574 BMKPIWHFMRABEY-POZUXBRTSA-N 330.424 3.571 0 1 EHAF CCOC(=O)c1c(O[C@H]2C[C@@H](C)C[C@@H](C)C2)c(CC)c(C)[nH]c1=O 102095411 VUCDLZIIDNYGHR-DABQJJPHSA-N 335.444 3.626 0 1 EHAF CC(=O)OC[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccc(Cl)c1)CN32 100806997 NULBFCVSTMAXPP-SENYVFCCSA-N 331.843 3.769 0 1 EHAF COc1c(O)cc2cc1Oc1ccc(cc1)CCCOC(=O)C=C2 2356639334 NARIIGSALMKHIM-UHFFFAOYSA-N 326.348 3.696 0 1 EHAF CCCCSc1nncc(-c2cnnc(SCCCC)n2)n1 64548339 WFSQPEIEWUHMFA-UHFFFAOYSA-N 336.490 3.508 0 1 EHAF Nc1nnc2c3ccccc3c(Oc3ccc(Cl)cc3Cl)nn12 64453968 JDTYHAUMFIFTPC-UHFFFAOYSA-N 346.177 3.959 0 1 EHAF Nc1nccnc1C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 72184677 UDPDFFDUHGFWJW-UHFFFAOYSA-N 346.217 3.650 0 1 EHAF O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1cccc(Cl)c1 43065463 JGRQIRDAIIUUCX-UHFFFAOYSA-N 347.890 3.704 0 1 EHAF CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)CCc1ccccc1 84653363 RJCQPOIUXHTRQG-QFIPXVFZSA-N 335.447 3.812 0 1 EHAF CCCC[C@H](CC(=O)O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 40866949 NRBPDHRILYXIDY-HIFRSBDPSA-N 344.411 3.772 0 1 EHAF c1cncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140198653 NCCZRGLAOHWLIZ-UHFFFAOYSA-N 339.402 3.691 0 1 EHAF Cc1ccc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc12 95572887 AZOOBRKWMCUHJL-UHFFFAOYSA-N 331.423 3.532 0 1 EHAF COc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1OC 587095530 JFJNESOPXFBJTG-UHFFFAOYSA-N 337.301 3.848 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1c(O)cccc1OC)CC2=O 587481179 QAOBWVCSTJLCRB-KRWDZBQOSA-N 328.364 3.765 0 1 EHAF Cc1c(Cl)ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 586924472 QMQUFWQYQCJVNN-MDZDMXLPSA-N 332.812 3.969 0 1 EHAF Cc1ccc(CCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1N 587249451 APHSJQSDXYRERD-UHFFFAOYSA-N 331.322 3.560 0 1 EHAF CS(=O)(=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1F 587210605 SAYDQQMUIHMVII-UHFFFAOYSA-N 342.395 3.511 0 1 EHAF CC1(C)CCO[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616659 LQUHMKCTGXHHQY-KFKAGJAMSA-N 340.375 3.538 0 1 EHAF CCCn1nc(C2CC2)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433552 ZBQLBIPIGKGZRH-JLTOFOAXSA-N 338.407 3.668 0 1 EHAF Fc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1F 587118225 KAQVJHWOHDORQU-UHFFFAOYSA-N 342.271 3.982 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1nc2ccc(Cl)cc2o1 587651511 KZWCVFODVDMTCZ-UHFFFAOYSA-N 332.146 3.834 0 1 EHAF O=C1O/C(=C\c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c2ccccc21 586907719 VYLIXZJTDQRSLA-YVMONPNESA-N 334.228 3.788 0 1 EHAF Cn1c(=O)oc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587518665 MVUYBYXGPLWTNN-GOSISDBHSA-N 349.386 3.717 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(C3CCCC3)c1)O2 587393210 ZTMGQVFFKKDSMO-LJQANCHMSA-N 325.412 3.769 0 1 EHAF CCCCC/C=C\C[C@@H](O)[C@H](O)/C=C/[C@@H]1C/C=C\CCCC(=O)O1 14768283 MDCUPALPRUQMSF-LWKIYNMMSA-N 336.472 3.833 0 1 EHAF NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3ccccc3)c[nH]1)C(=O)N2 14962672 SOZLQZRDILXEMY-YVLHZVERSA-N 344.374 3.665 0 1 EHAF COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@]12C 169309948 SZAGBXYCBORFKQ-AOFZEPQVSA-N 334.456 3.581 0 1 EHAF O=C(CCCn1sc2ccccc2c1=O)NCCC1=CCCCC1 6800192 MIJXKOUAXRJIEL-UHFFFAOYSA-N 344.480 3.850 0 1 EHAF Cc1cc(-c2ccc(S(=O)(=O)NC3CCCCCC3)s2)on1 7005501 HLUVVEXPAMLCNI-UHFFFAOYSA-N 340.470 3.713 0 1 EHAF O=C1C[C@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)c3ccccc3)cc21 103274659 WXATTZGHVLANOY-MRXNPFEDSA-N 343.382 3.519 0 1 EHAF CCOC(=O)c1[nH]c(/C=C/c2ccc(O)cc2)c(C(=O)OCC)c1C 103221845 ULOXJWGGRXRUPZ-DHZHZOJOSA-N 343.379 3.553 0 1 EHAF O=c1sc(=S)[nH]c2c1[C@H]1CCCN1C(=S)N2c1ccccc1 103152758 GPHAHDUWJHQRHH-SNVBAGLBSA-N 347.490 3.739 0 1 EHAF C[C@@H]1C(=O)C[C@@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3[C@H]1C 102193067 OPCNDODYLHTBLM-PNSCVHASSA-N 339.479 3.532 0 1 EHAF Nc1nc(NCc2ccccc2)ccc1NC(=O)Oc1ccccc1 26815548 SAUWSMUPNIEDLE-UHFFFAOYSA-N 334.379 3.887 0 1 EHAF O=C(c1cccs1)c1cc2c(c(Cl)c1Cl)O[C@H](C(=O)O)C2 26492645 ALLLEKJCUDAZJR-QMMMGPOBSA-N 343.187 3.674 0 1 EHAF CN(C)c1ccc(-c2cn(-c3ccc(OCCCF)cc3)nn2)cc1 28701629 WACVKHAXTKMTHO-UHFFFAOYSA-N 340.402 3.739 0 1 EHAF Cc1cccc(NN2C(S)=N[C@@H](C)[C@@H]2c2cccc(C(=O)O)c2)c1 29334024 LEVWIYFEQNHQQC-BLLLJJGKSA-N 341.436 3.751 0 1 EHAF COc1c(-c2nnn[nH]2)oc2c3ccccc3n(-c3ccccc3)c12 29388418 PWSDIAIDLOFYPB-UHFFFAOYSA-N 331.335 3.565 0 1 EHAF O=c1cc(-c2cccnc2)[nH]c2cc([C@@H](O)c3ccccc3)ccc12 66258565 JUCHZXYUHOLVCC-NRFANRHFSA-N 328.371 3.672 0 1 EHAF COc1cc2c(cc1OC)[C@H](c1cccc(C(F)(F)F)c1)NCC2 33636300 SPNMLVPOPPPSCH-KRWDZBQOSA-N 337.341 3.958 0 1 EHAF CCCCCC12CCC(C(=O)N[C@H]3CCCCNC3=O)(CC1)CC2 35930254 KNDFKRSFYXXTPN-DZIBYMRMSA-N 334.504 3.692 0 1 EHAF Cc1c(S(N)(=O)=O)cc2c(c1C)O[C@@](C)(CCCC(C)C)CC2 220732448 BWIXYHYMTKUOAF-SFHVURJKSA-N 339.501 3.861 0 1 EHAF COc1cc(CSc2nc3ccc(OC)cc3[nH]2)cc(OC)c1 45498016 WXFIODYGMHZQAT-UHFFFAOYSA-N 330.409 3.881 0 1 EHAF O[C@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 138921011 NXVVXBAUUOIKAG-INIZCTEOSA-N 348.406 3.584 0 1 EHAF C[C@H](c1c(F)cccc1F)n1cc(C(=O)NCCF)c2ncccc21 223151289 TUTUJRQZMBAECO-LLVKDONJSA-N 347.340 3.623 0 1 EHAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)COC3=O 40379344 GSAAVBGTKPELAN-MOPYOMAISA-N 332.440 3.947 0 1 EHAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C3(C)CC3)nnc2c1 84741417 GHUGNRKOFHYTON-UHFFFAOYSA-N 346.434 3.648 0 1 EHAF CC(C)NCCN1CCCc2cc(NC(=N)c3cccs3)ccc21 95554036 MTKCFACMHLTTIZ-UHFFFAOYSA-N 342.512 3.936 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC)n1)CC2=O 587483976 FTJWPRXCGGXJJL-QGZVFWFLSA-N 327.380 3.845 0 1 EHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 587787995 YNYAPZKUMJZQDM-NWDGAFQWSA-N 328.318 3.785 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2)N1 587835144 VJISEUGITQEVHH-FVMDXXJSSA-N 336.204 3.917 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C(C)C)CC2=O 587483578 RGYPFIYDVVERKR-IBGZPJMESA-N 334.412 3.658 0 1 EHAF COC(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587105791 AECKHNDYKAGSOX-UHFFFAOYSA-N 334.297 3.959 0 1 EHAF Cc1cnccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587773127 IEGKDVPVXQUAJR-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF CC(C)(C)c1nc2nc(O)nc(O)c2cc1Cc1ccc(Cl)cc1 587369279 YFTGNRUIVRDRPF-UHFFFAOYSA-N 343.814 3.978 0 1 EHAF CSC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587614666 UGYONFBFHKWLEU-PBHICJAKSA-N 328.389 3.618 0 1 EHAF Cc1cnc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 587204099 IJIPEDLKOHIRCF-ZDUSSCGKSA-N 332.448 3.748 0 1 EHAF CC1(C)O[C@@H]2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2O1 587535999 QAHCJAXYEHBPRZ-YVWKXTFCSA-N 328.408 3.583 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COC2(C)C)N1 587829757 CGTKMUAZQAYVHW-RFAUZJTJSA-N 326.209 3.640 0 1 EHAF O=C(O)C[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587206373 JHDPXNPVGNRGGM-NSHDSACASA-N 329.355 3.951 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c(CC)nn(C)c1CC)CC2=O 587474763 HZEQNSWZKQXUFG-GOSISDBHSA-N 342.439 3.910 0 1 EHAF CN(C)C(=O)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586886227 FLTGUICWEHFSTR-IIBYNOLFSA-N 331.419 3.636 0 1 EHAF CCSc1ccc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963033127 PTDWAXDUWVWCDY-VLIAUNLRSA-N 338.476 3.941 0 1 EHAF CC(C)=C[C@@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186828 RHUDZPGJWSSZFF-STQMWFEESA-N 333.737 3.965 0 1 EHAF COc1c(C(C)C)ccc2c1CC[C@H]1C(=O)CCC[C@]21CO[N+](=O)[O-] 1772655201 MEHLZSHQXVLALI-LPHOPBHVSA-N 347.411 3.580 0 1 EHAF OC12C[C@H]3C[C@@H](C1)CC(NCc1cc(C4CCCCC4)on1)(C3)C2 1772598580 OMODRCIQMAKMJD-JNKARSBBSA-N 330.472 3.896 0 1 EHAF O=C(c1cc2cccc(O)c2[nH]1)N1CCC(Cc2ccccc2)CC1 13554239 IWBBGNZPEIAVFV-UHFFFAOYSA-N 334.419 3.968 0 1 EHAF O=C1Nc2ccc(F)cc2CN1c1csc(-c2ccncc2)n1 14974670 SFDWUKJFXSWJPJ-UHFFFAOYSA-N 326.356 3.896 0 1 EHAF Cc1cccc(C(=O)Nc2nc3cc(-c4ccccc4)ccn3n2)c1 1857567678 QGUAPOUAZSCXSM-UHFFFAOYSA-N 328.375 3.957 0 1 EHAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H]2OC(=O)CCCC=CC[C@H]12 253917754 LJEHYEYWZYPKKY-YYRYGKNKSA-N 334.456 3.731 0 1 EHAF CC[C@H](C)N1C(=O)c2ccccc2[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 4134232 AZFAKNIDWIODHW-ZZGLYJMHSA-N 342.483 3.923 0 1 EHAF CC(C)CC[C@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 27886402 MJERNKUXPGQCMF-UHZRXMQZSA-N 342.520 3.679 0 1 EHAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccncc1 100704889 LUWKSORQLIJYEN-GFCCVEGCSA-N 340.408 3.513 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cccc(O)c3CC[C@H]21 100620775 DMFDAOOIIRJWAQ-YLJYHZDGSA-N 346.430 3.985 0 1 EHAF COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CN)C=C3C)[nH]c2c1 2356677208 KPVCNCWWBZJPJD-UXLLHSPISA-N 327.472 3.927 0 1 EHAF COc1cccc2c1Nc1c(c(=O)[nH]c3c(OC)cccc13)S2 64417075 YSQONNLFURIGIF-UHFFFAOYSA-N 326.377 3.754 0 1 EHAF COc1ccc(-c2ccc3c(c2)COCC(=O)N3CC2CC2)c(C)c1 74375479 GDDOVMDOVFLWNR-UHFFFAOYSA-N 337.419 3.944 0 3 EHAF COC(=O)c1nc(C2CCCC2)n(-c2ccc(C(F)(F)F)cc2)n1 72179789 XOYFLNJPQBXTQA-UHFFFAOYSA-N 339.317 3.730 0 1 EHAF COc1ccccc1[C@H](Cc1coc2nc(N)nc(N)c12)CC(C)C 45386102 FZTBMWCWXXNRIA-LBPRGKRZSA-N 340.427 3.768 0 1 EHAF CC[C@@H](C)NC(=O)c1cnc(NCC2CC2)nc1-c1cccc(C)c1 82160141 CYMMMYXDQYINNR-CQSZACIVSA-N 338.455 3.802 0 1 EHAF CC(=O)CC[C@H](/C=C/[C@](C)(O)C/C=C/[C@]1(C)CCC(=O)O1)C(C)C 85908353 NONYMPHQXUGMIU-DTTZUJFISA-N 336.472 3.977 0 1 EHAF COc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncnc1C 144810117 YDFLHGSVGMBJJD-UHFFFAOYSA-N 347.378 3.833 0 1 EHAF CC1CCC(C(=O)N2CC(c3nc(-c4cccc(F)c4)no3)C2)CC1 95578355 SAJDGDCMMHSQEI-UHFFFAOYSA-N 343.402 3.628 0 1 EHAF C[C@H](CO)CCC[C@](C)(O)CCC[C@@H](C)CCC(=O)[C@H](C)CCO 144555667 KVWYIWRSDKQRFM-AJYBTWMASA-N 344.536 3.710 0 1 EHAF in-vitro CCN1CCCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)CC1 95552187 KXSDMGBKEOZRMI-OAQYLSRUSA-N 336.479 3.567 0 1 EHAF Cc1cc(CO)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 473170927 SUVOOSJLFUMICX-UHFFFAOYSA-N 346.235 3.595 0 1 EHAF Oc1nc2nc(Nc3ccccc3)nc(O)c2cc1-c1ccc(F)cc1 653918639 RDQRDSSEEMJHDZ-UHFFFAOYSA-N 348.337 3.986 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3n1C)CC2=O 587475711 ODSRKVQKSSUQQB-SFHVURJKSA-N 336.391 3.938 0 1 EHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)cccc3[nH]2)cc1 586939442 OWZINDHMRIWNTO-CYBMUJFWSA-N 343.452 3.615 0 1 EHAF Cc1cc(Br)ccc1OCc1nc2ccc(CO)cc2[nH]1 586981263 NFKWHBHBHGXYSS-UHFFFAOYSA-N 347.212 3.705 0 1 EHAF Cc1coc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587774923 OJHJWZSUYDLIQZ-UHLUBPPHSA-N 325.181 3.508 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1nc(C(F)F)cc(C2CC2)n1 587651658 NMPZQURMURVTPP-UHFFFAOYSA-N 348.740 3.644 0 1 EHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCCC1 587868122 GTLPOLRNZRPHPJ-UHFFFAOYSA-N 339.317 3.803 0 1 EHAF O=C(O)c1cc(F)cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587081121 SSWAXLSXWCSXFE-ZDUSSCGKSA-N 332.718 3.730 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccn1C 587862986 OCSZLCSODVWNNI-UHFFFAOYSA-N 349.312 3.605 0 1 EHAF COc1ccc2c(c1)C[C@H](c1nc3cc(C(=O)O)c(F)cc3[nH]1)CC2 587938260 SIRGQSOIHRGZBO-LLVKDONJSA-N 340.354 3.681 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Cl)ncc2[nH]1 586917279 RXQAUBMWHAIJON-SGTLLEGYSA-N 341.798 3.828 0 1 EHAF CCO[C@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCC2 587444084 SCPFKQZHCIPTGH-IIMJZQEZSA-N 328.408 3.551 0 1 EHAF COc1ccccc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867810 CAQUTRDWBOHYCL-UHFFFAOYSA-N 349.312 3.970 0 1 EHAF CCCC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963610371 OXTUVRDFHCUTLO-RBZFPXEDSA-N 331.456 3.603 0 1 EHAF Cc1cccc(C[C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962728516 FEGCBXJBDWQUCZ-IAGOWNOFSA-N 333.353 3.925 0 1 EHAF O=C(O)Cc1ccc2oc(C34CC5CC(CC(C5)C3)C4)cc(=O)c2c1 13581690 YMIYXLNOLHRFSQ-UHFFFAOYSA-N 338.403 3.888 0 1 EHAF O[C@@]1(c2ccc(-c3nc4ccccc4s3)cc2)CN2CCC1CC2 13757116 PKDJSXUFSNOCDM-HXUWFJFHSA-N 336.460 3.877 0 1 EHAF CCCCC[C@@H](O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O 15256916 OEGIGAPIFHYJOL-IAGOWNOFSA-N 338.444 3.596 0 1 EHAF endogenous,in-man CCCCC[C@@H](C[C@H](O)CCc1ccc(O)c(OC)c1)OC(C)=O 15256934 SLEAGHNVFZTGGH-SJORKVTESA-N 338.444 3.596 0 1 EHAF endogenous,in-man Cc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)c2cc[nH]c12 1148684912 KXFKUVHSCVQQCS-UHFFFAOYSA-N 334.423 3.830 0 1 EHAF COc1ccc(-c2csc3c2-n2cccc2C3=O)cc1OC(C)=O 25487 ZFVGCKDMRBXIFM-UHFFFAOYSA-N 339.372 3.684 0 1 EHAF CCOc1ccccc1N1CSc2nnc(-c3ccccc3)n2C1 1652658 CNBLFSCTOANWLF-UHFFFAOYSA-N 338.436 3.871 0 1 EHAF CN1CCC(NC2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1 13492085 YYFLIYHRHHWXBK-UHFFFAOYSA-N 341.846 3.554 0 1 EHAF CCOC(=O)c1cn(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1 13642390 KDSSJBBYZLOXLQ-UHFFFAOYSA-N 328.318 3.994 0 1 EHAF COc1ccc(C(=O)N[C@@H](CCN(C)C)c2ccc(Cl)cc2)cc1 13684626 OVAAWKPKVVAHKR-SFHVURJKSA-N 346.858 3.771 0 1 EHAF CCCCC(=O)NC[C@@H]1CCCc2c1c1cc(OC)ccc1n2C 13777791 FBAYSUPNUJMWMO-AWEZNQCLSA-N 328.456 3.913 0 1 EHAF CCCCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1 14965018 GUFYXBDBRAROGG-UHFFFAOYSA-N 333.409 3.528 0 1 EHAF in-vivo COc1ccc(C(=O)c2cn(C[C@H]3CCCN3C)c3ccccc23)cc1 26281079 TXPOENCRRSVEEK-QGZVFWFLSA-N 348.446 3.975 0 1 EHAF COc1cncc(/C=C/c2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 28896773 USLJLFIVPBIWSH-ONEGZZNKSA-N 347.378 3.536 0 1 EHAF CCCCC[C@H](O)[C@H](O)[C@@H](/C=C/CCCCCCCC(=O)O)OC 33820473 VLWJNSLOMXQTLE-CYROHTFOSA-N 344.492 3.675 0 1 EHAF COc1ccc(-c2nccn2-c2cc(OC)c(OC)c(OC)c2)cc1 40576506 NRFSVLJKNUSJIN-UHFFFAOYSA-N 340.379 3.574 0 1 EHAF CCN(CC)[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1 49126194 JJWNFTHIOIOXBG-OAQYLSRUSA-N 347.462 3.796 0 1 EHAF Nc1ncnc2c1c(-c1ccc3ncccc3c1)nn2C1CCCC1 64510325 DBZCDBKTCUKQPQ-UHFFFAOYSA-N 330.395 3.739 0 1 EHAF CC(=O)c1c(NNc2nc(-c3ccccc3)cs2)cc(C)oc1=O 73280564 BGYRKZJKNBZTHY-UHFFFAOYSA-N 341.392 3.713 0 1 EHAF CC(C)(C)c1ccc(-c2cnc3c(CNC(=N)N)cccc3n2)cc1 96915142 FRTFXVPQDPHIPB-UHFFFAOYSA-N 333.439 3.577 0 1 EHAF C[C@]12CC3CC(C(=O)NC(=S)N4CCCCC4)(C1)C[C@](C)(C3)C2 100463441 NXIDHFGQIKRMOT-NBLCHNQSSA-N 334.529 3.870 0 1 EHAF COc1c(C)c(O)c(C(=O)CCc2ccc(O)cc2)c(OC)c1C 238738639 MPXVDNYRTVNSJM-UHFFFAOYSA-N 330.380 3.547 0 1 EHAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cccc(Br)c2[nH]1 586908513 RNPUSGJRDLSZGC-SECBINFHSA-N 345.196 3.906 0 1 EHAF C[C@@]1([C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360484 VNEGSTNKPWULOM-NSHGMRRFSA-N 342.366 3.828 0 1 EHAF COc1cc(Cl)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O 587376467 DCFCBQMIQJRPET-AWEZNQCLSA-N 333.771 3.651 0 1 EHAF O=C1c2ccc(O)cc2O[C@@]2(CCSC2)[C@@H]1c1ccc(F)cc1 587376767 YAYXXZHDGVEJMU-SJLPKXTDSA-N 330.380 3.766 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)cc(Br)c1)O2 587377626 OFYYYWNNISCBGF-HNNXBMFYSA-N 348.196 3.752 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-n1ccnc1C)O2 587389015 DBPNKWBLGKWVIG-IBGZPJMESA-N 333.391 3.778 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCC1OCCO1)(C1CC1)O2 587411754 KCEUCPDASDTLSE-FQEVSTJZSA-N 345.439 3.625 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4nccc(Cl)c14)[C@@H](C2)C3=O 587418460 BIUIYCFQDSMUPI-BTDLBPIBSA-N 340.766 3.714 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnn(C)c1C(F)F)CC2=O 587466125 LVWHVUDKVSCWJA-AWEZNQCLSA-N 336.338 3.722 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(CCCC(=O)OCC)CC2=O 587485488 WUWMLIDQINGXKH-IBGZPJMESA-N 334.412 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(C=O)c1O)CC2=O 587487527 GCMKLKGZJICTCH-SFHVURJKSA-N 340.375 3.878 0 1 EHAF Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)F)n1 587505485 LHTONHDVYNTTLI-OAHLLOKOSA-N 332.350 3.943 0 1 EHAF Cc1sc(=N)[nH]c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587533997 ACFKRDPHEIVRKF-GOSISDBHSA-N 328.437 3.623 0 1 EHAF C[C@@H](O)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535660 NKWMBUTYYBIYSF-BMIGLBTASA-N 329.421 3.782 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)nc2)N1 587739247 UVTBKKLZZNLAFU-VXJOIVPMSA-N 339.183 3.746 0 1 EHAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 587775012 YAPSMTSZOGVMLH-QLJPJBMISA-N 335.220 3.915 0 1 EHAF Brc1ccnc2[nH]c(COC/C=C/c3ccccc3)nc12 587781327 SYXQUHVIQDCTSM-QPJJXVBHSA-N 344.212 3.950 0 1 EHAF CC(C)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4C(=O)O)[C@]3(C)CC[C@@]2(C)CC1 2356323640 CLMHTTFHYDETIT-VNEALKQTSA-N 332.440 3.658 0 1 EHAF CC(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@@H]1Cc1occ(C)c1[C@@H]2OC(C)=O 2356470036 LDQOXMVEVCLTTM-STMZPRSESA-N 334.412 3.732 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1C[C@H]1C(=O)C[C@@]3(C(C)C)CC[C@@]12O3 2356507018 OEGVTAZVZYUFGW-REYOSZHASA-N 348.483 3.909 0 1 EHAF Cc1cc(Nc2ccc(Br)c(C)c2)n2nc(C)nc2n1 4822587 DJYOQJGWWQRCHG-UHFFFAOYSA-N 332.205 3.556 0 3 EHAF C[C@H](CC(=O)O)Cc1ccc(OCCCNc2ccccn2)cc1 28648067 MNMNKSRAIMNXQS-HNNXBMFYSA-N 328.412 3.616 0 1 EHAF CCC(=O)N(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1N(C)C 28240700 JJRZMZGAQAOCDL-HUUCEWRRSA-N 328.378 3.931 0 1 EHAF Cc1nc2cc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)ccc2[nH]1 117625249 SFTDFKZWZIZWFX-PXNSSMCTSA-N 331.419 3.816 0 1 EHAF Fc1cccc(F)c1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 28456239 CDYWYBPJJSBVOC-UHFFFAOYSA-N 335.317 3.670 0 1 EHAF COc1cc([C@@H]2CCCc3cc4c(cc32)OCO4)cc(OC)c1OC 26488608 AASYTIVGSFEPCK-AWEZNQCLSA-N 342.391 3.909 0 1 EHAF C[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CC[C@@H]1COC(=O)C1 2356456166 TUFKWTIZKAZNKT-PHJMNMFVSA-N 332.440 3.646 0 1 EHAF COc1ccc(S(=O)(=O)c2ccc(OC)c3ccccc23)cc1 60329764 NLDCUXHIAKMEBJ-UHFFFAOYSA-N 328.389 3.690 0 1 EHAF CC(C)=CCC[C@H](C)[C@H]1[C@H]2C(=CCC=C(C)C[C@H]1O)C(=O)O[C@@H]2O 2356804833 ZLVXQIPQKMUARK-FXTJJVCJSA-N 334.456 3.504 0 1 EHAF O=c1nc(SCc2ccccc2)nc(SCC2CCCC2)[nH]1 72124341 VMGDMEVHQBABGF-UHFFFAOYSA-N 333.482 3.740 0 1 EHAF COc1ccc(-c2ccc3c(c2)N(C(C)C)C(=O)COC3)cc1OC 74375632 ZCUZXCOUUJDHEZ-UHFFFAOYSA-N 341.407 3.642 0 3 EHAF CCCCCN1C(=O)N[C@@H](c2ccccc2)C(C(=O)OCC)=C1C 43078708 MKHYYSJGHCNACA-KRWDZBQOSA-N 330.428 3.780 0 1 EHAF CCCNCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 45391266 OPEIRBWEZYBFFC-UHFFFAOYSA-N 339.391 3.544 0 1 EHAF COC(=O)C1=C(N)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 98083855 UMMRDSOZUXURFK-KRWDZBQOSA-N 341.357 3.922 0 1 EHAF N[C@@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1cccc2ccccc12 587258805 SSIFWCRAOIHVLS-INIZCTEOSA-N 331.375 3.657 0 1 EHAF CC[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348607 AGDUQKUNAZVQEO-HKUYNNGSSA-N 328.339 3.628 0 1 EHAF CCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587443118 UBICZQYKUDKVJE-QRWLVFNGSA-N 340.375 3.678 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cccnc2)N1 587775845 AGMMFPBOXKJKKD-DIFFPNOSSA-N 349.247 3.975 0 1 EHAF CC(C)=CCC/C(C)=C/c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587966671 DJVKGZYTORSFKS-SDNWHVSQSA-N 347.484 3.963 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)ccc(C)c1F)[C@@H](C2)C3=O 587427199 QVRMGHLMDHAAHU-HXPMCKFVSA-N 330.330 3.945 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCCc4cccc(OC)c41)[C@@H](C2)C3=O 587441623 HXFLGQJOJHFDAE-YCRPNKLZSA-N 336.387 3.683 0 1 EHAF Cc1cccc(NC(=O)Cc2nc3ccc4ncccc4c3[nH]2)c1C 587238604 DKXIMKUCXXOONJ-UHFFFAOYSA-N 330.391 3.909 0 1 EHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Cl)nc4[nH]1)(C3)C2 587951714 YNTJNWLJBIXYFV-CCHVVGMOSA-N 345.830 3.765 0 1 EHAF CCOC(=O)Cc1ccc2nc(-c3cc(F)c(C)c(F)c3)[nH]c2c1 587132654 HKZWSWMFRVYPKC-UHFFFAOYSA-N 330.334 3.922 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cn3ccnc3)cc1)O2 587392529 ZIEOLRGNUAGGAI-IBGZPJMESA-N 333.391 3.529 0 1 EHAF COc1cc(OC)c2[nH]c([C@@H](O)[C@H](C)c3ccc(C)cc3)nc2c1 586885417 CEBDPMHWZUSEMA-XIKOKIGWSA-N 326.396 3.726 0 1 EHAF CCC1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)COC1 587831915 AKNDCXMEHQTUNA-BONVTDFDSA-N 342.252 3.764 0 1 EHAF CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F 587426398 MPLZJMPGOPSBAV-BFUOFWGJSA-N 328.339 3.722 0 1 EHAF COc1ccc([C@H]2NCCc3cc(C)c(F)cc32)cc1OC(F)F 962142829 GGAQYXNVCLFUFO-QGZVFWFLSA-N 337.341 3.979 0 1 EHAF Oc1ccc2c(c1)[C@@H](c1nc3ccc(C(F)(F)F)cc3[nH]1)NCC2 963330234 VUEOMBWNOXRAKB-HNNXBMFYSA-N 333.313 3.522 0 1 EHAF COc1ccc([C@@H]2CCN(C(=O)C(C)C)C2)cc1OC1CCCC1 13741120 VBFVRCZURXZXLS-MRXNPFEDSA-N 331.456 3.989 0 1 EHAF CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(S(C)(=O)=O)c3c2C1 13741726 WXMITIKKXMDVPX-OAHLLOKOSA-N 348.512 3.551 0 1 EHAF CC(C)[C@]1(O)CCC[C@@]2(O)[C@H]1CC[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 207162462 KWAJHVRAGSUICW-BPEACIIKSA-N 338.488 3.596 0 1 EHAF C[C@H](CC(=O)NCc1ccc2nc[nH]c2c1)c1c(F)cccc1F 1857558252 OLIPHIMGKIVIEY-LLVKDONJSA-N 329.350 3.651 0 1 EHAF Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1C1CC1 1857611161 JVSHTWYQKXJQDS-UHFFFAOYSA-N 348.450 3.866 0 1 EHAF Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)CC(=O)N2 212197 ZFRILYCOHBCHEC-HXUWFJFHSA-N 346.386 3.772 0 1 EHAF COc1ccc(-c2cc(NCc3ccc(F)cc3)n3cnnc3n2)cc1 6743073 YAFIYJMYLLHDMF-UHFFFAOYSA-N 349.369 3.551 0 1 EHAF C[C@H](CNC(=O)c1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 6822590 ZFVHMEMLANAYAU-GFCCVEGCSA-N 341.798 3.924 0 1 EHAF CN1C[C@@H]2C[C@H](OC(=O)C(c3ccccc3)c3ccccc3)C[C@@H]1C2 101280147 PCEDEEWEONTUHP-VDGAXYAQSA-N 335.447 3.844 0 1 EHAF NC(=O)c1cccc(-c2csc([C@H](O)c3cccc(Cl)c3)n2)c1 61925933 CXFHHISXWBJIIE-OAHLLOKOSA-N 344.823 3.644 0 3 EHAF CC[C@@H](O)/C=C/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCCC(=O)O 112974838 RWHZIKMTLJOOEH-RFJSMVBGSA-N 334.456 3.934 0 1 EHAF CCN(CC)CCCNCCNc1ccnc2cc(Cl)ccc12 29054174 SINGRHBWDUEREU-UHFFFAOYSA-N 334.895 3.622 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccccc3[C@@](C)(C(=O)OC)[C@@]12C 2356568636 NXHWSMFFHROORB-IVAOSVALSA-N 344.451 3.758 0 1 EHAF CCCCC[C@H](O)C=C[C@H]1[C@@H]2CC=CCCCC(=O)O[C@H]2C[C@H]1O 2356623658 ZVWMOTMHZYWJPF-FKSLSLAPSA-N 336.472 3.523 0 1 EHAF C[C@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)C1CCOCC1 73257562 GRIJGLMNIRAJPK-SUMWQHHRSA-N 332.444 3.752 0 1 EHAF c1ccc2cc(Cc3nc4c(N5CCNCC5)cccc4[nH]3)ccc2c1 45246065 LUCKOIPIDNSDGW-UHFFFAOYSA-N 342.446 3.717 0 1 EHAF OCc1c(CO)c2sc3ccccc3n2c1-c1ccc(F)cc1 84670921 WFPZKOMYUKONFM-UHFFFAOYSA-N 327.380 3.945 0 1 EHAF C[C@H](Nc1nccc(N2C(=O)O[C@H](C)C2(C)C)n1)c1ccccc1 142095971 NCEFBFCHUPRVHY-QWHCGFSZSA-N 326.400 3.773 0 1 EHAF O=C(Nc1ccc(F)cc1)c1ccc(SCC2CCOCC2)nc1 145069447 BRBBPFBOWPYCAY-UHFFFAOYSA-N 346.427 3.992 0 1 EHAF CNC(=O)n1c2ccc(Cl)cc2c2ccc([C@H](C)C(=O)O)cc21 95555563 OBIQZTVPDHHSIT-VIFPVBQESA-N 330.771 3.824 0 1 EHAF Oc1n[nH]c2c1[C@@H](c1ccc(F)cc1)O[C@H](CCc1ccccc1)C2 95568646 IZNJIUCXCSSYRS-VQIMIIECSA-N 338.382 3.918 0 3 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13C[C@H]4[C@@H](C[C@@H]21)[C@@]4(C)C3 238762559 FHAKHBBLAZVFBS-QAUHHMMNSA-N 332.484 3.789 0 1 EHAF O=C1c2ccccc2-c2nc3c(CN4CCCCC4)cccc3nc21 653713050 WAAWFIUFNHPIPN-UHFFFAOYSA-N 329.403 3.827 0 1 EHAF CCS(=O)(=O)c1cccc(Cc2nc3cc(C)cc(C)c3[nH]2)c1 586921790 MTMZMIUEFHLPFJ-UHFFFAOYSA-N 328.437 3.564 0 1 EHAF Cc1occc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659915 JZOIJXSKHGXRSK-UHFFFAOYSA-N 348.333 3.793 0 1 EHAF O=C(c1ccc(O)cc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587639100 VPJOWJYGKPVCSF-UHFFFAOYSA-N 349.264 3.822 0 1 EHAF 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N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Cl)nc2[nH]1 587080270 OHAXUSVADUVCLS-NSHDSACASA-N 346.221 3.989 0 1 EHAF Cc1cc(F)c2[nH]c(Cn3nc(C)c(Br)c3C)nc2c1 586979260 USBAMRRQNDOXFQ-UHFFFAOYSA-N 337.196 3.635 0 1 EHAF c1c2c(cc3[nH]c(COC45CC6CC(CC(C6)C4)C5)nc13)OCO2 587951454 VNOKSCCPOVVXKW-UHFFFAOYSA-N 326.396 3.777 0 1 EHAF N=c1[nH]ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083502 XFBQYISSJFBNEG-UHFFFAOYSA-N 330.178 3.892 0 1 EHAF Cc1c(-c2cnccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587623821 QPYHXBBLQRUURC-UHFFFAOYSA-N 328.173 3.572 0 1 EHAF Cc1ccncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587776645 YLEXLLGNESONBL-QLJPJBMISA-N 335.220 3.915 0 1 EHAF Clc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2n1 587006607 JKGKSPIRBJLNOU-UHFFFAOYSA-N 348.591 3.689 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ncccc12 587584928 CAEFSFBJVMRWEC-WIYYLYMNSA-N 345.354 3.591 0 1 EHAF Cc1ccccc1-c1ccc(Cc2nc3c(O)nc(S)nc3[nH]2)cc1 587958985 JJQGCIGUMTVTIE-UHFFFAOYSA-N 348.431 3.913 0 1 EHAF COc1nccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c12 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CC1(C)[C@@H]2OCC[C@@H]2[C@]12NC1(CC1)Cc1ccc(Br)cc12 961314783 ANLXIWRJICEZRB-JCKWVBRZSA-N 348.284 3.768 0 1 EHAF O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cc(Cl)ccc1O 146324045 FKLGWJUBUPDJJI-UHFFFAOYSA-N 327.123 3.860 0 1 EHAF C[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@@H]13 1857566597 RVRUDXHMJRUDLB-OCHQKFOUSA-N 332.484 3.645 0 1 EHAF O=P(O)(O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 1857771459 UQDPJUVPJLLQFN-UHFFFAOYSA-N 326.292 3.916 0 1 EHAF NC(=O)c1sc(Oc2ccccc2)c2c1CCc1cnsc1-2 584649056 XALHKECHUOZBNB-UHFFFAOYSA-N 328.418 3.861 0 1 EHAF O=C1[C@H]2CCCN2[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccccn1 58046631 PFOFZGNHVJJPRT-GDBMZVCRSA-N 348.233 3.898 0 3 EHAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@H](O)COc1ccccc1 26730532 WDZDIEKLAXEABE-KRWDZBQOSA-N 338.451 3.519 0 1 EHAF COc1ccc(CC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1OC 100802476 MYWGABFUFPKNBK-MGPUTAFESA-N 331.456 3.674 0 1 EHAF CC(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1 29134653 QBQUJQMXMJYXBA-UHFFFAOYSA-N 346.490 3.859 0 1 EHAF CN1C(=N)N[C@](c2ccccc2)(c2cccc(-c3ccccc3)c2)C1=O 64514094 LZIMGTBHFLKUPS-JOCHJYFZSA-N 341.414 3.594 0 1 EHAF O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCc2cc(O)ccc2C1 29132790 JLUAPAOQSDAJAM-MRXNPFEDSA-N 329.827 3.509 0 1 EHAF CCCC[C@]12C[C@@]1(C(=O)NC(C)C)C(=O)Nc1ccc(Cl)cc12 34821554 SDMBZJATDBGDMX-QZTJIDSGSA-N 334.847 3.635 0 1 EHAF CCc1cc2c(cc1O[C@@H]1CCOC1)Cc1c(-c3cccnc3)n[nH]c1-2 43069689 VSPPNECXPLDRSL-MRXNPFEDSA-N 347.418 3.773 0 1 EHAF O=C(O)c1cn(Cc2ccccc2C(F)(F)F)c2ccccc2c1=O 45393058 RWAQXBCKMQXAIY-UHFFFAOYSA-N 347.292 3.767 0 1 EHAF O=C1C[C@@H](C2CCN(CCc3ccccc3)CC2)Oc2ccccc21 45259178 DPYSIQOGDICBEW-QFIPXVFZSA-N 335.447 3.975 0 1 EHAF C[C@@H]1Oc2ccc(CN3CCC(c4ccccc4)CC3)cc2NC1=O 96274126 PFEWYNQWEUWTKM-HNNXBMFYSA-N 336.435 3.786 0 1 EHAF CNc1ccc(-c2nc3ccc(OCCOCCF)cc3s2)cn1 95576418 DGHZKSJYIKNNSV-UHFFFAOYSA-N 347.415 3.765 0 1 EHAF Cc1ncsc1[C@@H](c1ccccc1)n1cc(-c2ccccn2)nn1 95556328 COCNOVYTKSZUDO-QGZVFWFLSA-N 333.420 3.743 0 1 EHAF CCc1cc(NCCN(C)C)n2nc(C)c(-c3ccc(C)cc3)c2n1 95558421 YEZIRXYKKRUAJA-UHFFFAOYSA-N 337.471 3.549 0 1 EHAF Cc1ccnc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1 96938957 UQJIMMAOWKSDDK-UHFFFAOYSA-N 340.770 3.878 0 1 EHAF CCn1ncc2c(Cl)cc(C(=O)Nc3nnc(C4CC4)s3)cc21 653852910 IRABSHZNSSYRSW-UHFFFAOYSA-N 347.831 3.691 0 1 EHAF CCc1ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 587194154 MVNAUIKZTREGAR-OAHLLOKOSA-N 346.475 3.643 0 1 EHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(O)ccc2[nH]1 587147695 AUCBIAUOUASJON-UHFFFAOYSA-N 326.306 3.614 0 1 EHAF Cc1ccccc1C(C)(C)c1nc2nc(Br)c[nH]c-2n1 587955430 OWUDRZVFZUMZLH-UHFFFAOYSA-N 331.217 3.701 0 1 EHAF COC(=O)c1cc(Br)c2[nH]c(C(C)(C)Cl)nc2c1 587008033 GEIFKEGLDILLCV-UHFFFAOYSA-N 331.597 3.586 0 1 EHAF FC(F)(F)Oc1cc(Br)cc2nc(C3=COCC3)[nH]c12 586913513 PNCJSRUMEZZNPR-UHFFFAOYSA-N 349.106 3.985 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)cn1)O2 587382801 OLNDSGXQXADMNM-MRXNPFEDSA-N 336.313 3.872 0 1 EHAF Oc1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc2c1CCCC2 586898299 OGCIYYZXPHNQPQ-UHFFFAOYSA-N 334.301 3.575 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)cc1Cl)[C@@H](C2)C3=O 587417934 FSJYIGAWXTUUHE-UGSOOPFHSA-N 330.767 3.717 0 1 EHAF COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)CCO3)N(C)[C@H](C)C2 962636805 NIPLOZPZMMDEAV-LRTDBIEQSA-N 339.435 3.605 0 1 EHAF COc1ccc(Cl)cc1OC[C@@H]1CN(Cc2ccccc2)CCO1 13579723 QQUDXXZNNWIXGN-KRWDZBQOSA-N 347.842 3.628 0 1 EHAF C=Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1COc2ncccc21 205615980 AOUAOQLBLIAOBQ-AWEZNQCLSA-N 349.217 3.824 0 1 EHAF Cc1ccc2c(c1)[C@H]1CCC[C@@H]3[C@@H]1N2CC(=O)N3Cc1ccccc1 3894267 PZJPBWRMOCJEBR-NQSCKRDGSA-N 332.447 3.862 0 1 EHAF O=C(N[C@H]1CCCc2ccccc21)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 6112837 GVLXTBMWZDIKCU-FHLOFIBASA-N 325.452 3.512 0 1 EHAF O=C1c2ccccc2[C@H](Nc2ccc(Cl)cn2)N1c1ccccn1 20213644 UKEQQUYLXANNTR-QGZVFWFLSA-N 336.782 3.901 0 3 EHAF aggregator CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cc(C)cc(C)c1 2356301112 REDLAXLXLHLQSW-BQFCYCMXSA-N 331.529 3.710 0 1 EHAF CC(=O)[C@@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356493702 CIUZTBJZAMUYJU-DDKLBDGZSA-N 334.500 3.710 0 1 EHAF CCC[C@@H]1CC(=O)C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@@H]13 29469262 JMRCYEFEEQSEKU-QAJUQPOASA-N 327.468 3.589 0 1 EHAF COc1ccc(CN2C(=O)CC[C@@]2(C)c2nc3ccccc3[nH]2)cc1 72135084 XSBVEELFUHUQPX-FQEVSTJZSA-N 335.407 3.609 0 3 EHAF CN1CC[C@@H](c2nccc3c2[nH]c2cc(Br)ccc23)O1 14659450 FJNATDQAXALGTR-ZDUSSCGKSA-N 332.201 3.787 0 1 EHAF biogenic O=c1c2ccccc2nc(/C=C/c2ccncc2)n1-c1cccc(O)c1 221076309 VUYFTRAQVCEKBB-CMDGGOBGSA-N 341.370 3.657 0 1 EHAF CC(C)Cc1ccc(C2=NN(CN3CCCCC3)C(=O)CC2)cc1 49802629 DGKTVYWJKAZQFV-UHFFFAOYSA-N 327.472 3.655 0 1 EHAF C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 40685561 IGTBWNRPQOIMSD-IMKWXWIASA-N 347.499 3.845 0 1 EHAF Cc1ncn(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C 142181917 VSPHYHKTPNTWDM-UHFFFAOYSA-N 337.467 3.935 0 1 EHAF CCOc1ccccc1[C@@H]1SCC(=O)Nc2ncc(Cl)cc21 653782513 ROGCMSZNEDDVNO-HNNXBMFYSA-N 334.828 3.908 0 1 EHAF CCOC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@H]1c1ccc(OCC)cc1 653823884 XNJXEEMFEIOKBW-ZACQAIPSSA-N 344.432 3.922 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3ccccc3n1)CC2=O 587490064 OILBPSSEZOMTTF-LJQANCHMSA-N 334.375 3.994 0 1 EHAF Cc1nscc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587858778 UFOFHXTYLJPFIU-JKYUHCHBSA-N 341.249 3.977 0 1 EHAF CCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576628 JWBFSPRDVYMLPE-FXAWDEMLSA-N 335.359 3.917 0 1 EHAF CC[C@@]1(C2CCC(OC)CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442040 JOYMJCREWGOSHD-VHCLKTQPSA-N 330.424 3.797 0 1 EHAF Clc1ncnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 587231416 AOOBUXLVTQULGY-UHFFFAOYSA-N 339.786 3.556 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1N(C)C)[C@@H](C2)C3=O 587422622 QUWCFCQMFREMOS-BUXKBTBVSA-N 343.810 3.903 0 1 EHAF Cc1cc(C)cc(OCc2nc3ccc(Br)nc3[nH]2)c1 587564361 JRNSZQPHVKGXPK-UHFFFAOYSA-N 332.201 3.916 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(Cl)c1OC)[C@@H](C2)C3=O 587421531 MZAXHRARHRCUPX-YVEFUNNKSA-N 330.767 3.846 0 1 EHAF C1=N\c2ncccc2OCCOc2cccnc2/N=C\c2ccccc2/1 169299135 HDDXUMSQLAFKEY-GACBQCINSA-N 344.374 3.749 0 1 EHAF CC(C)[C@]1(C)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 2003278 ICVHCELCKWOSFJ-HNNXBMFYSA-N 331.195 3.858 0 1 EHAF O=C(NCCc1c[nH]c2ccccc12)c1nsc(Cl)c1Cl 6732813 ANSYVHLZRCZOTD-UHFFFAOYSA-N 340.235 3.904 0 1 EHAF O=C(N[C@@H]1C=CC=CN1)N(CC1CCCC1)c1ccc(F)c(F)c1 28120685 SOHZGZPPOZASET-QGZVFWFLSA-N 333.382 3.670 0 1 EHAF CN[C@H]1c2cc(OC)ccc2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1O 27552011 RJYHGFMJSOIYHN-IKGGRYGDSA-N 338.234 3.769 0 1 EHAF CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1CCCO 26003953 WDLHEVRFVVGGDU-UHFFFAOYSA-N 340.419 3.794 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCCC(=C23)[C@]12C[C@H](c1ccoc1)OC2=O 2356506200 FEOANYGAJPRFDP-XHMIZYAZSA-N 342.391 3.706 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2cccnc2)/C1=C(\O)OCC(C)C 27560909 PGCPQMWCSBRDIJ-PWVLXBNSSA-N 331.372 3.590 0 1 EHAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](CC=C(C)[C@H](O)CC1)[C@H](C)C(=O)O2 2356799982 PNMCIBFBQPGVAE-ZIVNCQHPSA-N 336.472 3.523 0 1 EHAF CC(=O)Nc1cccc(-c2csc([C@@H](O)c3ccc(F)cc3)n2)c1 61896244 LKTXLLYRJUZEIN-KRWDZBQOSA-N 342.395 3.989 0 3 EHAF CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)OCC)C1CC(C)=O 34513001 BFWHOTYHLOLTSE-UHFFFAOYSA-N 348.399 3.548 0 1 EHAF CC[C@H]1C[C@@H]2C[C@@H](C(=O)OC)c3[nH]c4ccccc4c3CCN(C1)C2 31948160 OXTRSDFIRKYKEX-HDMKZQKVSA-N 340.467 3.719 0 1 EHAF Cn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O 34804059 MHWRNXHKFDXQQP-UHFFFAOYSA-N 342.354 3.588 0 1 EHAF CC(C)=CCc1cc([C@@H]2Oc3cc(O)ccc3C[C@@H]2O)ccc1O 14819212 PTZNBCJWCJFLPQ-ICSRJNTNSA-N 326.392 3.644 0 1 EHAF biogenic COc1ccc2c(c1N)CCC[C@@H]2c1cc(OC)c(OC)c(OC)c1 84619849 ZATRGLGDKGEQHP-CYBMUJFWSA-N 343.423 3.771 0 1 EHAF NC(=O)c1ccc2nc(-c3ccc([C@H](O)C4CCCCC4)cc3)[nH]c2c1 142994865 CCFNDEPLCRZDTI-LJQANCHMSA-N 349.434 3.943 0 1 EHAF C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@H]23)[C@@]12CC[C@]1(C=COC1)O2 198239303 OQLCWZJEAYGVQE-HXZUJCDCSA-N 332.440 3.596 0 1 EHAF COc1cc2c(O)cc(O)cc2[o+]c1-c1cc(OC)c(O)c(OC)c1 95913675 GXYSHDPUDFPNHL-UHFFFAOYSA-O 345.327 3.524 0 1 EHAF biogenic,in-vitro COC(OC)c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587384117 ARLBJMLZDPAENY-INIZCTEOSA-N 345.370 3.714 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)c4cc(OC)ccc14)[C@@H](C2)C3=O 587431081 MLKQYKKWGBXFBA-YCRPNKLZSA-N 349.386 3.684 0 1 EHAF CC[C@H](Oc1ccccc1F)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587156717 YDXXCZUPMIVDLA-INIZCTEOSA-N 341.386 3.934 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc3cnc(Cl)nc13)O2 587415253 QSPFMAGMQWOLNN-GFCCVEGCSA-N 345.811 3.942 0 1 EHAF Fc1cc(Br)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 587085710 BZYHDSABNTWGIN-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF COc1cc(C)c(N)c(-c2nc3cc(Br)c(C)nc3[nH]2)c1 587250304 MHGUYCNPPJDBBY-UHFFFAOYSA-N 347.216 3.595 0 1 EHAF CCc1ccc(C(=O)CCc2nc3ccc(C(=O)OC)cc3[nH]2)cc1 587956720 KZJNOMUQASYSIU-UHFFFAOYSA-N 336.391 3.727 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCSC2)N1 587858772 UEKYXJAHMAUKKO-TVLCNXBWSA-N 330.266 3.917 0 1 EHAF O=C(O)CSc1ncccc1-c1nc2cc(F)c(Cl)cc2[nH]1 586967020 OYRBPCRDNCNNIF-UHFFFAOYSA-N 337.763 3.594 0 1 EHAF Cc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)oc2c1[C@H](O)CCC2 586903705 NKMMPOAQUPDGGI-CYBMUJFWSA-N 340.379 3.662 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ncc(Cl)cc14)[C@@H](C2)C3=O 587420614 ISUPBZMIMRTIFE-YVEFUNNKSA-N 340.766 3.714 0 1 EHAF OCCc1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587079874 ICOVMCZSUBAIQC-UHFFFAOYSA-N 325.799 3.754 0 1 EHAF COC1=C[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351427 MTTGGLANQGREOV-ICSRJNTNSA-N 340.350 3.953 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nccs1 587617765 KVMLENQHBICIQH-XJKSGUPXSA-N 325.345 3.552 0 1 EHAF CC(C)(F)c1ncncc1[C@H]1c2c(F)cccc2C[C@H]2CCCN12 963095802 DQXNREZOAVVMQH-DYVFJYSZSA-N 329.394 3.930 0 1 EHAF Cc1ccccc1C1=NO[C@@H](COc2ccc3ccc(=O)oc3c2)C1 1772634302 KSAGZCDNTPHSBF-MRXNPFEDSA-N 335.359 3.673 0 1 EHAF Cc1cc(O)nc(C[S@@](=O)C(c2ccccc2)c2ccccc2)n1 1772622831 ZYSWIJDLMFVJDT-XMMPIXPASA-N 338.432 3.529 0 1 EHAF COc1ccc2c3c([nH]c2c1)CN1CCc2cc4c(cc2[C@@H]1C3)OCO4 1772623299 JCWOYZLADPGGTP-IBGZPJMESA-N 348.402 3.561 0 1 EHAF Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)[C@H](C)[C@H]3O 13407783 VFKOXOKVQKGOTG-XMZIXOGTSA-N 342.391 3.736 0 1 EHAF CN(C)C(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21 13758874 HZSUEYGRIZDDHM-UHFFFAOYSA-N 336.370 3.680 0 1 EHAF CCOC(=O)[C@@H]1Nc2c(F)cc(C)cc2[C@@H]2c3ccccc3C[C@@H]21 15952465 NVUWQTLUUFNIEY-VDZJLULYSA-N 325.383 3.796 0 3 EHAF CSc1ccc([C@H]2NC(=O)N=C(C)[C@@H]2C(=O)OC2CCCC2)cc1 169719576 HYLLFLYEXAQCCC-JKSUJKDBSA-N 346.452 3.736 0 1 EHAF CC(=O)N1CCC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13812899 PAPPHBRFOXAGKW-CYMYHSCOSA-N 333.516 3.991 0 1 EHAF COc1cc(C(=O)[C@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)ccc1O 14646607 UFCKYLUYWNYRRX-QWHCGFSZSA-N 342.391 3.827 0 1 EHAF biogenic COC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CCCCC2 21087838 CWPRSIZJZOGQEM-UHFFFAOYSA-N 345.424 3.843 0 1 EHAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)C(=O)OC3 40835175 ZENRAMDHYOLFQK-DJLVLGKWSA-N 332.440 3.947 0 1 EHAF COc1cc2c(cc1C(=O)O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 49014113 RXORJKDPAQKESD-YQFFHJAMSA-N 330.424 3.610 0 1 EHAF Cc1c([C@H](C)OC(=O)Nc2ccccc2)oc2nc(C3CC3)nn12 66258370 NRUKXBVEHWTHOE-NSHDSACASA-N 326.356 3.818 0 1 EHAF CCOC(=O)[C@H]1CCCCN1Cc1coc(-c2ccccc2Cl)n1 68253498 BXOWNBJUBGQPPO-MRXNPFEDSA-N 348.830 3.913 0 1 EHAF Cc1noc2c1[C@H](c1ccc(Br)cc1)SCC(=O)N2 73220698 NUODFLXPXBUAKD-LBPRGKRZSA-N 339.214 3.520 0 1 EHAF CC1(C)O[C@@]2([C@H]3CCC[C@@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@H](N)C2 85543281 WTYWRDMLYRGBFY-BKXHUWGXSA-N 343.515 3.688 0 1 EHAF biogenic,in-vitro CCCCN(C)C(=O)N1CCC(=CC#Cc2cccc(C)n2)CC1 141512029 DUDLUGRLTVPTNX-UHFFFAOYSA-N 325.456 3.616 0 1 EHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCCCC2)n1 142145809 GGAAGJSJNOCFDF-DZGCQCFKSA-N 332.448 3.839 0 1 EHAF CC1(C)CCC[C@]2(C)[C@@H]1CC=C(CO)[C@@]21CC[C@](C)(CC(=O)O)O1 238780730 RBVRYDWTKMWSNY-XLNTUCKNSA-N 336.472 3.924 0 1 EHAF CC(=O)OC[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccc(Cl)c1 253633764 NULBFCVSTMAXPP-XQLFDJSDSA-N 331.843 3.769 0 1 EHAF O=C1[C@H]2CC[C@@H](C2)[C@]12C[C@@]1(c3ccccc3)C(=O)c3ccccc3N1O2 299815061 BPLOZJUEXDCQPQ-XTFZGKQASA-N 345.398 3.658 0 1 EHAF Cc1cc(NCc2c(F)cccc2F)c2cccc(C(N)=O)c2n1 473094784 WDDJRHSJISFKGW-UHFFFAOYSA-N 327.334 3.532 0 1 EHAF Fc1cc(F)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 587008520 XQCYPWRLIKAFEF-UHFFFAOYSA-N 349.138 3.918 0 1 EHAF Fc1ccc(-c2nc3c(Cl)nccc3[nH]2)nc1Br 587155728 PUWUDXPWSLYRFO-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(C)c(OC)cc(C)c1O)[C@@H](C2)C3=O 587444716 TZAXQRYOQLEUDE-RNODOKPDSA-N 340.375 3.515 0 1 EHAF Cc1c(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)cnn1C 587633733 KEKFWRBMEYWZSO-UHFFFAOYSA-N 325.265 3.599 0 1 EHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CCc1ccccn1 587868717 QAHHNYOZRJPRFE-UHFFFAOYSA-N 348.328 3.610 0 1 EHAF COc1cccc2cc3c(nc12)[C@]1(CCC[C@@H]2[C@H]1C2(F)F)NCC3 963039192 UBEKBZRUKJDYAL-MZMPZRCHSA-N 330.378 3.650 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@]12CC[C@H]1[C@H]2[C@@H]1C(=O)OCC 963232386 RXZZHZIZAWYNMH-LTOQYOECSA-N 327.468 3.758 0 1 EHAF COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCO3)cc1F 1857537768 CFJZZUQFEYTRLC-ONEGZZNKSA-N 343.398 3.751 0 1 EHAF NCc1cc(Oc2cccc3c2ccn3Cc2ccccc2)ncn1 1857578098 TXWUKJQCCDILDK-UHFFFAOYSA-N 330.391 3.731 0 1 EHAF C[C@H](NC(=O)N1C(=O)C[C@H]1Sc1ccccc1F)c1ccccc1 1857607719 KMQFJQNAKXNSSS-YVEFUNNKSA-N 344.411 3.947 0 1 EHAF COC(=O)[C@@]1(C=C2c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@H]2OCCC[C@@H]21 1857622032 KAIRBWGUKDEUFM-DUWMESLASA-N 346.398 3.515 0 1 EHAF COC[C@@]1(O)[C@@]2(C)CC[C@@H]([C@]2(C)C2CCCCC2)[C@@]12CCC[C@H]2O 2356465850 JXDQBFSPOGSUAB-NXMWLWCLSA-N 336.516 3.912 0 1 EHAF CC(=O)[C@@H]1CC[C@@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356475606 JTVJZIIJXYOXCP-JPSLMIEHSA-N 332.484 3.630 0 1 EHAF FC(F)Oc1ccc(NC(=S)NCc2nc3ccccc3[nH]2)cc1 13684263 HSCACEVUJCFZMQ-UHFFFAOYSA-N 348.378 3.651 0 3 EHAF COc1cc(F)ccc1-c1ccc2c(c1)COCC(=O)N2CC1CC1 74374766 QJRQSHIYYHMTCO-UHFFFAOYSA-N 341.382 3.775 0 3 EHAF COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(C)o2)cc1Cl 75402968 LHULDYOHOFDUNM-WMLDXEAASA-N 346.814 3.760 0 3 EHAF CCOC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(C(C)C)cc1 103168394 ZLPIVRHACKANHV-PEKVBPLLSA-N 331.456 3.917 0 1 EHAF CCCC[C@@H](N)CCCCCC[C@H](C=CC(=O)O)N=c1cc[cH-][nH]1 2356297209 QACAYNNIVKQBHR-IAGOWNOFSA-N 334.484 3.502 0 1 EHAF COc1cc2c(cc1OC)[C@@H]1C=N[C@@H](C2)c2cc(OC)c(OC)cc21 102942940 KLXPNUUNKBVTII-HOTGVXAUSA-N 339.391 3.535 0 1 EHAF COc1c(OC(C)C)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12 103208068 OBNGERGWZDHLKG-UHFFFAOYSA-N 342.347 3.667 0 1 EHAF CC/C=C\C/C=C\[C@H](O)[C@H](O)/C=C\C=C/C/C=C\CCCC(=O)O 111442699 XJVATZRQYYFGGW-YOPGZRCQSA-N 334.456 3.934 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC(C)=C[C@H]2[C@@H]1[C@@]1(C)CCC[C@@]2(C)C(=O)O1 2356575369 KREPOBCVKLZNPY-HRYJEPKJSA-N 332.440 3.953 0 1 EHAF CCCc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1 38208194 AAGSCHYEYUFUBH-UHFFFAOYSA-N 333.391 3.642 0 1 EHAF COc1ccc(CNCc2coc(-c3cccc(F)c3)n2)cc1OC 72101918 SAEDMMLDOJEFDA-UHFFFAOYSA-N 342.370 3.788 0 1 EHAF c1cc2c(cc1O[C@@H]1CCOC1)CCC1(CCN(C3CCC3)CC1)O2 73224506 MIXXPXMCFRJNIY-LJQANCHMSA-N 343.467 3.566 0 1 EHAF CN(C)C12CC(=O)NC([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 40577048 VBLXFIUIBZBCFM-CDNGDFIJSA-N 334.463 3.537 0 1 EHAF COC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253699420 IVJOAORQVUYFDW-HMDBXAMFSA-N 347.499 3.639 0 1 EHAF C[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3Cl)=NN2C1=O 653692076 WMNWUDGVCSLKCA-ZBEGNZNMSA-N 326.783 3.799 0 1 EHAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587929883 ATHXOKCHVABRSF-QKKBWIMNSA-N 347.418 3.901 0 1 EHAF Cc1cc(Br)c(-c2nc3cccc(C(N)=O)c3[nH]2)cc1F 587137686 GHKCXOVUJNANRN-UHFFFAOYSA-N 348.175 3.539 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(C(F)(F)c3ccccn3)nc2c1 587089266 NUARMPHGXDHRAM-UHFFFAOYSA-N 337.713 3.538 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ncccn3)c1)O2 587393527 ILBFSROBLOQYAF-SFHVURJKSA-N 331.375 3.741 0 1 EHAF C[C@@H](Sc1ncccn1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586961674 KQBFVRDMXUNJEC-RXMQYKEDSA-N 328.294 3.763 0 1 EHAF COC(C)(C)C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587795096 QORUWHZJQDOZCH-LKFCYVNXSA-N 330.241 3.979 0 1 EHAF Clc1ccc(C2=C[C@H](c3nc4cc(Cl)cnc4[nH]3)ON2)cc1 587076984 QCRFOWCTVMHXMR-CYBMUJFWSA-N 333.178 3.882 0 1 EHAF Fc1ccc(-c2nc3nccc(Cl)c3[nH]2)nc1Br 587155570 OKLMFPDJDQEYTP-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF O=C1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587532144 NLSCXOFHZIGIAH-OAQYLSRUSA-N 334.371 3.735 0 1 EHAF Nc1ncccc1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587254775 ZAWSGKSWKZKADA-UHFFFAOYSA-N 330.391 3.710 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnc(C(C)(C)C)s1)[C@@H](C2)C3=O 587453612 XPZZJPZVCRTYGI-MEDUHNTESA-N 329.421 3.938 0 1 EHAF Cc1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2cc1Br 587248280 LKLCPIHVDGYHCW-UHFFFAOYSA-N 346.184 3.581 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)nc1Cl)[C@@H](C2)C3=O 587424472 ZSKFAEFSQAMLEM-ZUZCIYMTSA-N 336.174 3.886 0 1 EHAF COc1ccc2c(c1OC)[C@](c1ccccn1)(C(C)C)N(C)[C@H](C)C2 962642649 ZKVOXIXNBLGGTJ-QVKFZJNVSA-N 340.467 3.875 0 1 EHAF Cc1ccnc2c1CCN[C@]2(C)c1cccc(NC(=O)C2CCC2)c1 963070575 OMGOEXAPHMWHHM-OAQYLSRUSA-N 335.451 3.538 0 1 EHAF C[S@@](=O)/C=C/CCNC(=S)SCc1ccc(Cl)cc1 1857764724 JHQPUQAFVCWAMK-JFKHNGDKSA-N 333.931 3.730 0 1 EHAF CC1=CC(=O)O[C@]12C[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@H](O)[C@@]1(C)O2 1772638019 AXKUJLZPRKGUNV-IGVOXGPPSA-N 334.456 3.578 0 1 EHAF Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)c1oc2ccccc2c1C 169330729 TWXVQJZZRYWJNC-UHFFFAOYSA-N 332.359 3.760 0 1 EHAF COc1cc2ccc([C@](O)(c3cnco3)C(C)C)cc2cc1OC 169338903 KFGRUSFLKJSLMJ-IBGZPJMESA-N 327.380 3.737 0 1 EHAF Cc1nc(O)c2c(C)nn([C@@H](C)c3ccc(C(F)(F)F)cc3)c2n1 1857758948 DRGQECKERMZWAG-VIFPVBQESA-N 336.317 3.777 0 1 EHAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1cc(C)ccc1C 100025581 XACTYFHSPTXDSY-LXMVLSBBSA-N 329.396 3.725 0 1 EHAF O=C1[C@H]2CCCN2[C@@H](c2cccc(Cl)c2)N1c1ccc(F)cc1 58047406 DHRPDKSOYBHBLZ-IAGOWNOFSA-N 330.790 3.989 0 1 EHAF CC(C)C[C@@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc21 58582854 MQBQMYOSDZAGET-ZDUSSCGKSA-N 336.867 3.774 0 1 EHAF CC(C)COc1ccccc1[C@@H](c1ccns1)N1CCN(C)CC1 28249043 XDISHWVWTIZFLX-IBGZPJMESA-N 345.512 3.515 0 1 EHAF CCCCNC(=O)[C@@H](c1ccccc1)N1C(=O)C[C@@H]1c1ccccc1 28524701 IWQRUGAZWGKBCY-UYAOXDASSA-N 336.435 3.618 0 1 EHAF CCOC(=O)[C@@H]1CCCN(C(=O)c2oc3ccccc3c2C)CC1 61907464 KXLJYXFXZBTXRN-CQSZACIVSA-N 329.396 3.547 0 3 EHAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1ccc2ccn(C)c2c1 2356762875 ZEDSWABWPAGTSU-RTBURBONSA-N 339.483 3.515 0 1 EHAF C/C(=C\C(=O)O)CC[C@H]1[C@](C)(O)CC[C@H]2[C@](C)(CO)CCC[C@@]12C 36378667 IYSBWLRXTOIYFZ-WCUSIZJPSA-N 338.488 3.764 0 1 EHAF CCCCC(=O)NCCCCN(CCC)C1Cc2ccccc2C1 71316614 WLQXVFLJINOZPU-UHFFFAOYSA-N 330.516 3.952 0 1 EHAF CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(CN)c2)cc1 84709963 RYLAQFGPKGKGAR-UHFFFAOYSA-N 341.480 3.570 0 1 EHAF CC[C@H](C)NC(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccccc1 82133574 LTJXSIZVVQNKJC-KBPBESRZSA-N 326.444 3.882 0 1 EHAF CC[C@@H](c1ccc(OC)cc1)N1CCC2(CCC(O)CC2)OC1=O 146060637 KZLCGDKLCCEGFM-RMXPPQQLSA-N 333.428 3.662 0 1 EHAF Nc1cc(C(=O)N2CCC[C@@H]3c4ccccc4C[C@@H]32)ccc1Cl 96169452 MQSHZJOEGPXUAT-QAPCUYQASA-N 326.827 3.867 0 1 EHAF CO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O 238783186 DRGAKKLILXXLIA-QZTJIDSGSA-N 346.508 3.901 0 1 EHAF COc1ccc(-c2cnc3c(-c4cnc5ccccn45)cnn3c2)cc1 96923892 KRMWOFZHKCTDAZ-UHFFFAOYSA-N 341.374 3.720 0 1 EHAF COc1cc(C)c(N)c(-c2nc3cccc(Br)c3[nH]2)c1 587250292 LZNDXCANRJYKQV-UHFFFAOYSA-N 332.201 3.892 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(F)cc1 587870718 QGHJDXOKOBTCFK-UHFFFAOYSA-N 328.318 3.916 0 1 EHAF COc1ccc(CCCc2nc3ccc(Cl)nc3[nH]2)cc1OC 587927895 YSSNKQVLVHLQEB-UHFFFAOYSA-N 331.803 3.804 0 1 EHAF Brc1cncc2nc(COC/C=C/c3ccccc3)[nH]c12 587781316 SUXLKRCKSRXPGB-QPJJXVBHSA-N 344.212 3.950 0 1 EHAF CCO/C=C(\C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598719 UUDCJQJGBLBYQV-DUSJZKHYSA-N 326.348 3.663 0 1 EHAF Nc1c(-c2nc3cc(F)c(F)c(F)c3[nH]2)cnc2c(F)cccc12 587175944 CVQVJICDKDHDDU-UHFFFAOYSA-N 332.260 3.917 0 1 EHAF CC[C@]1(Cc2nc3ccc(OC)nc3[nH]2)CC(=O)c2ccccc2C1 587958937 AGXZHLHKTIIYCR-HXUWFJFHSA-N 335.407 3.735 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1nc(C(C)C)n4ccccc14)[C@@H](C2)C3=O 587436207 NVQBZRKJVNXPFT-VBKZILBWSA-N 348.402 3.955 0 1 EHAF Oc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587004036 PZLFAQCBEGPICL-UHFFFAOYSA-N 329.157 3.574 0 1 EHAF CCOC(=O)Cc1ccc2nc(CCc3ccccc3F)[nH]c2c1 587149947 ORTUISDSBWVVFP-UHFFFAOYSA-N 326.371 3.593 0 1 EHAF COc1cnc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1Cl 587065137 UURYFKLDVUGLKF-UHFFFAOYSA-N 329.574 3.989 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@H]1COC(CC)(CC)O1)CC2=O 587488910 SKXJAWRAAIBOKS-DLBZAZTESA-N 334.412 3.610 0 1 EHAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(C(N)=O)cc2[nH]1 587170518 BQPIIGMXNZHIPO-SNVBAGLBSA-N 329.400 3.697 0 1 EHAF CCCCCc1cc2c(O)nc(O)nc2nc1-c1ccc(O)cc1 587561796 WARBDUHFVJAGQY-UHFFFAOYSA-N 325.368 3.541 0 1 EHAF COc1c(C)cc([C@H]2NCCc3c2c(C(C)C)nn3C)c(C)c1C 962917632 GBUIMVMCVGBVMC-LJQANCHMSA-N 327.472 3.712 0 1 EHAF COc1ccc2c(c1)[C@H](c1ccccc1-n1cncn1)N(C(C)C)CC2 962095616 ZHSLTXSQJGOHDW-NRFANRHFSA-N 348.450 3.632 0 1 EHAF O=C1CC[C@@H](COc2cccc(F)c2Oc2ccc(Cl)cc2)N1 1772654385 ZFQNFEHBNONJHL-LBPRGKRZSA-N 335.762 3.929 0 1 EHAF Cc1ccc(Cl)cc1NC(=O)CNC(=O)c1cc2ccccc2o1 5012548 WQTLJXCECHYWPF-UHFFFAOYSA-N 342.782 3.763 0 1 EHAF c1cc(CN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)cs1 11843176 IMAMVNYJICEILJ-UHFFFAOYSA-N 340.404 3.690 0 1 EHAF CN1CCC[C@H]1COc1cnc(Cl)c(/C=C/c2cccnc2)c1 13474391 LSIVPWOKOMMEHN-MOEXGYKKSA-N 329.831 3.773 0 1 EHAF CN1C[C@@](O)(c2ccc(-c3ccccc3F)cc2)O[C@@H]2CCCC[C@@H]21 169291110 DVRJPNBGRUZGDS-HBMCJLEFSA-N 341.426 3.911 0 1 EHAF CN1CCN(C2=Nc3ccc(Cl)cc3N(C)c3cscc32)CC1 169338712 OTWAXKMHUUBTKW-UHFFFAOYSA-N 346.887 3.809 0 1 EHAF C[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)NCc3ccccc3)C2)[C@H]2CCCCN12 203467865 HPFZLWXUQMLUGQ-IKLKHMQRSA-N 328.456 3.564 0 3 EHAF C[C@H]1C[C@@H](NC(=O)c2cccc(-c3cccc(Cl)c3)n2)CCO1 207727713 OVABTRALKDLHGA-WFASDCNBSA-N 330.815 3.699 0 1 EHAF Cc1nc2c(s1)-c1nc(Nc3ccc(N(C)C)cc3)ncc1CC2 6744728 LQAKEBHLLHQRTR-UHFFFAOYSA-N 337.452 3.817 0 1 EHAF S=C(Nc1ccc(Br)cn1)N[C@@H]1C[C@@H]1c1ccccc1 14943866 WDYJSZQUBJOQCI-CHWSQXEVSA-N 348.269 3.687 0 1 EHAF CC1(C)N=C(N)N=CN1c1ccc(CCc2c[nH]c3ccccc23)cc1 29410318 BAQVCXUZERIQIT-UHFFFAOYSA-N 345.450 3.852 0 1 EHAF COC(=O)[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C 34044530 AMIHUYQKNJHXPT-UOVKNHIHSA-N 328.239 3.733 0 1 EHAF CN[C@@H]1CCN(c2ncnc3c2oc2ccc(-c4ccccc4)cc23)C1 49066808 KLCJXUWBFHXMOJ-MRXNPFEDSA-N 344.418 3.841 0 1 EHAF COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(C)c3)C[C@H]1C=N2 49808389 KAFCSPINUTUFQH-INIZCTEOSA-N 348.402 3.984 0 1 EHAF COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2)n1 82162508 NMMISHLCCNVWNV-UHFFFAOYSA-N 338.411 3.864 0 1 EHAF C[C@H](N[C@H](C[C@H](O)c1ccc(Cl)cc1)C(=O)O)c1ccccc1 84615710 XEIVNVLGRBAYEH-VUCTXSBTSA-N 333.815 3.568 0 1 EHAF CCOC(=O)c1ccc(OC[C@H](CC)Oc2ccc(C)nc2)cc1 90470746 JHCYJYNSSVBFDD-INIZCTEOSA-N 329.396 3.803 0 1 EHAF CNCc1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)cn2c1 95560505 CFOTXBVSBAUSMW-UHFFFAOYSA-N 336.439 3.604 0 1 EHAF C[C@H]1[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC(=O)[C@@H]1C 100786871 OPCNDODYLHTBLM-HAPKUAMDSA-N 339.479 3.532 0 1 EHAF CCO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccncc1 101505484 JAHBJGLHBUFHGD-GROYHEBESA-N 334.379 3.933 0 1 EHAF O=S(=O)(c1ccccc1)n1c(-c2ccccc2)cc2cccnc21 140168078 XRRXBCAONGTTJH-UHFFFAOYSA-N 334.400 3.940 0 1 EHAF C[C@H](Nc1nccc(N2CCOC2=O)n1)c1ccc2ccccc2c1 142148594 RRQQUACBKGXHNJ-ZDUSSCGKSA-N 334.379 3.760 0 1 EHAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 153243453 RFTIRMPAYWBDKJ-GSTFJIRZSA-N 334.500 3.566 0 1 EHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)ncc2[nH]1 586882378 PSMIQUXMAIOCMQ-UHFFFAOYSA-N 327.771 3.540 0 1 EHAF COc1ccc(C=O)c2cc(-c3nc4c(Cl)ncc(F)c4[nH]3)oc12 586904120 QCBLDVYHTXDTFA-UHFFFAOYSA-N 345.717 3.985 0 1 EHAF Fc1ccc2c(c1)C[C@@H](c1nc3c(F)c(F)c(F)c(F)c3[nH]1)O2 587175272 XCQZWALSDSUGIG-QMMMGPOBSA-N 326.224 3.935 0 1 EHAF COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587397061 RKNWOGOLTRUVLU-KRWDZBQOSA-N 337.379 3.616 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c4c(c1)OCO4)[C@@H](C2)C3=O 587424357 YZCNUPQZZKSDBG-GTNSWQLSSA-N 344.750 3.566 0 1 EHAF COc1cc2c3c(c1)O[C@]1(C[C@H](OCC(C)C)C1(C)C)[C@@H](C2)C3=O 587442754 NNCOQTMNFCZVDR-DKICVRJWSA-N 330.424 3.653 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cnccc32)N1 587780050 XWMAHGLKFHGIPL-BMLIUANNSA-N 347.231 3.707 0 1 EHAF Cc1csc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587853095 OXXYBAQVNFUCOB-CPFSXVBKSA-N 341.249 3.977 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC(=O)C2CC2)(C(F)F)N1 962939510 BNAAXUPTDPKAMT-CWTRNNRKSA-N 332.394 3.922 0 1 EHAF COc1ccccc1NC(=O)COc1cc(C)nc2ccc(C)cc12 1857757142 RYQLJUVDHBTIKC-UHFFFAOYSA-N 336.391 3.878 0 1 EHAF CC=C(C)C(=O)O[C@]1(C)CC[C@]2(O)[C@H](C(C)C)CC[C@]2(C)CC1=O 2356417486 BVJPUZCDZDGQEQ-OBZTUIKSSA-N 336.472 3.811 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC(C)=CCCC(C)=C[C@H](O)[C@@H]1[C@H](C)CO 2356610419 ZZBPVABDPAAVGR-HCXYKTFWSA-N 336.472 3.546 0 1 EHAF CC(=O)Nc1ccc(CN2CC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 51076719 CZCVZFBZFBXGGJ-MRXNPFEDSA-N 334.423 3.511 0 1 EHAF biogenic COc1c(-c2ccccc2F)oc2ccc(NC(C)=O)cc2c1=O 58569306 CRLRRHRYIYDXEO-UHFFFAOYSA-N 327.311 3.566 0 1 EHAF C[S@](=O)c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 28464466 PXYKBLUVLPAXCV-PODFHKILSA-N 332.465 3.555 0 1 EHAF CC1=CCC[C@](C)(O)[C@H](O)CCC(C)=C[C@H]2OC(=O)C(C)=C2CC1 2356596565 KISXSEZMRISOQB-GGPKGHCWSA-N 334.456 3.587 0 1 EHAF CC(C)(C)c1cnc([C@H]2COCCN2Cc2ccc(Cl)cc2)[nH]1 2356695319 CAFUONYBWYZYGW-OAHLLOKOSA-N 333.863 3.934 0 1 EHAF Cc1csc(NC(=O)c2cc(Sc3ccccn3)ccc2N)n1 40423098 XGWOVHWNRPREDT-UHFFFAOYSA-N 342.449 3.832 0 1 EHAF CCC[C@@H](C)NC1CCN(c2ccc(-n3ccnc3C)cc2)CC1 48148033 XRWVBKZDAYQPOD-MRXNPFEDSA-N 326.488 3.928 0 1 EHAF CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(F)cc1 40379211 YGUOPDGSSBTXSR-GOSISDBHSA-N 326.371 3.922 0 1 EHAF O=C(O)c1cn(Cc2ccc(C3CC3)cc2)c2cccc(F)c2c1=O 45390611 SEKJBGRSRGGNOW-UHFFFAOYSA-N 337.350 3.765 0 1 EHAF CC1(C)CCC[C@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 98084527 CCLRWJSXRVNSCU-QAPCUYQASA-N 333.863 3.732 0 1 EHAF O=C(O)c1ccccc1-n1cnc(CN2CCCc3ccccc32)c1 257232028 GJCQJOVZCMUSSU-UHFFFAOYSA-N 333.391 3.523 0 1 EHAF COc1ccc(C=O)cc1-c1nc2ccc(Br)cc2[nH]1 587785772 CGUAVECOWVINRK-UHFFFAOYSA-N 331.169 3.814 0 1 EHAF COc1cc2c3c(c1)O[C@]1(C=COc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423479 ULLJCWAFWUIINW-LIRRHRJNSA-N 340.762 3.898 0 1 EHAF Cn1nc(C(F)(F)F)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587119155 ZDGFZJAHYUAUAJ-UHFFFAOYSA-N 336.104 3.684 0 1 EHAF O=C1C[C@](c2ccncc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 587528345 XQEKPVXUMQDDHO-NRFANRHFSA-N 345.402 3.593 0 1 EHAF OCc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005331 TXXRPBRLPRTSDD-UHFFFAOYSA-N 338.592 3.533 0 1 EHAF N[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C1CC1 587255533 JVKOHPPYLOIRPV-SECBINFHSA-N 334.139 3.754 0 1 EHAF CC[C@@H]1C[C@@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587831159 GZRYURONRPMSJK-NSODJVPESA-N 342.252 3.907 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](COCc1ccccc1)CC2=O 587481002 QKQBESYPFSQREQ-HNNXBMFYSA-N 326.392 3.895 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCCN3CCCC[C@@H]31)N(C(C)C)CC2 962086843 DGSNXFFTVBMEEF-NHCUHLMSSA-N 328.500 3.805 0 1 EHAF Cc1cccc([C@@]2(c3ncccc3C)NCCc3c(C)ccnc32)c1 963072458 RYHURRQZHMFWKR-QFIPXVFZSA-N 329.447 3.839 0 1 EHAF O[C@]1(Cc2cc(-c3cn[nH]c3)on2)CC[C@H](Cc2ccccc2)CC1 1772652345 JVPOHQBKCRIEMN-MOBUCQHHSA-N 337.423 3.771 0 1 EHAF O=C1CSc2cc(Nc3cc(C(F)(F)F)ccn3)ccc2N1 169353131 URYSLFPRZAGVOS-UHFFFAOYSA-N 325.315 3.888 0 1 EHAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1C1CCCCCC1 427199 ATWUPPDIQIBNRK-KSSFIOAISA-N 328.456 3.821 0 1 EHAF O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1cc(F)ccc12 100018450 LRRMMDLRIBPLLY-UHFFFAOYSA-N 341.317 3.626 0 1 EHAF Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1cccc(C(=O)O)c1 28374701 ARXGWWJAFSVHBR-VLGSPTGOSA-N 345.811 3.733 0 1 EHAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356768444 POSRZCYCETZXQQ-BBWFWOEESA-N 327.428 3.521 0 1 EHAF COC(=O)c1c2c(c3ccccc3c1OC(C)=O)OC(C)(C)C=C2 39158167 CAJUOEHGLGBBGH-UHFFFAOYSA-N 326.348 3.736 0 1 EHAF CC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(c3c(C)cccc3oc2=O)O1 14611510 WLCNFVPYTHKEQD-JXFKEZNVSA-N 328.408 3.902 0 1 EHAF biogenic COc1cccc(CNC(=O)Nc2ccc(-c3ccnc(N)c3)cc2)c1 142971756 IFVYEXXVNRWBHH-UHFFFAOYSA-N 348.406 3.661 0 1 EHAF CC1=CC[C@@H]2C(C)(C)[C@H](O)C(=O)C[C@@]2(C)[C@@H]1CC[C@@H](C)CC(=O)O 238751819 MBQOTTVGQWAFTC-ZMOJJHALSA-N 336.472 3.826 0 1 EHAF Cc1ncc([C@@H](CNC(=O)c2ccccc2Cl)CC2CC2)cn1 473199260 YQMNSYVACMEVJK-CQSZACIVSA-N 329.831 3.752 0 1 EHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCN(C)C 587623170 MVKAAGRBEOEZRT-UHFFFAOYSA-N 335.249 3.609 0 1 EHAF COc1ccccc1-c1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)F 587637385 HVIGSOATHBSQHK-UHFFFAOYSA-N 345.301 3.990 0 1 EHAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(C(=O)OC)cccc3[nH]2)n1 587078768 AWCTWLHMROEBBK-VIFPVBQESA-N 332.791 3.837 0 1 EHAF CCOc1cc(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)ccc1C 587778097 JCGUYFVEKVXFSJ-UHFFFAOYSA-N 340.379 3.732 0 1 EHAF CCCCC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600998 DOZWNMPEMOVMNZ-YLJYHZDGSA-N 340.375 3.872 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(F)c1 587572270 USZBLZWBLJCKKW-VQIMIIECSA-N 337.306 3.629 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc3ccccc3nc1C)O2 587396117 WYOBEHNYRVTEPP-HXUWFJFHSA-N 333.391 3.709 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C[C@H]1CCCOC1 587615333 GPBKSADKOTVIEI-BVGQSLNGSA-N 340.375 3.539 0 1 EHAF CN(C)C(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587501002 AOALJRXNDMCMLD-HXUWFJFHSA-N 349.430 3.974 0 1 EHAF Fc1cnc(Br)c2[nH]c(-c3cnc(Cl)s3)nc12 587022878 CFZKMKJEOSJWNS-UHFFFAOYSA-N 333.573 3.636 0 1 EHAF CC1(C)C[C@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587614910 DPCPTBFTIZPLLG-UZLBHIALSA-N 340.375 3.682 0 1 EHAF CSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587531561 HMWQRSBMXBLWEN-MRXNPFEDSA-N 326.421 3.784 0 1 EHAF O=C(O)c1cc(O)cc(-n2c(O)cc(-c3cccc(Cl)c3)c2O)c1 587926806 OWAQRASUAJYCIG-UHFFFAOYSA-N 345.738 3.613 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1N)O2 587378312 UFSJTQZBFZPLMU-OAHLLOKOSA-N 347.212 3.628 0 1 EHAF CCS(=O)(=O)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 587042031 RPEGCOINNJPERD-INIZCTEOSA-N 344.461 3.746 0 1 EHAF CC(C)[C@H](c1nc2cc3c(cc2[nH]1)OCO3)N(C)C(=O)OC(C)(C)C 587197605 KCMYADFBQXFXMO-OAHLLOKOSA-N 347.415 3.856 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c(OC)c1)[C@@H](C2)C3=O 587419483 DNTNDTOYOCLXHI-KPZWWZAWSA-N 330.767 3.846 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c[nH]cc32)N1 587791257 KPWUADWDQCQBQH-JDNHERCYSA-N 335.220 3.640 0 1 EHAF Cc1cc2c(cc1F)[C@](C)(c1ccncc1Br)NCC2 962093049 OODLEKUGXTVIKE-INIZCTEOSA-N 335.220 3.701 0 1 EHAF COc1ccc2c(c1)c1c(NC[C@H](C)CN(C)C)ncc(C)c1n2C 5161444 SAYXMTKNSPFYNB-ZDUSSCGKSA-N 340.471 3.653 0 1 EHAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CNCCc1ccccn1)O2 13651338 WQAXIFPOJZCRJH-NRFANRHFSA-N 340.467 3.628 0 1 EHAF CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccc(C)nc3Cl)cc21 205019410 DXSZMIUZTMRCMF-UHFFFAOYSA-N 338.798 3.922 0 1 EHAF O=C(O)c1cccc(Nc2cccc(C(F)(F)F)c2)c1C(=O)O 29133874 POLWGJXZXDZMQJ-UHFFFAOYSA-N 325.242 3.845 0 1 EHAF COc1ccc(C)cc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 28394999 WWWMVWMDQURWSQ-UHFFFAOYSA-N 343.390 3.708 0 1 EHAF CCOC1(OCC)C(C)(C)[C@H]2c3ccccc3[C@]1(C)c1cccc[n+]12 27442948 OIKLTEIZRYPUJI-TZIWHRDSSA-N 338.471 3.992 0 1 EHAF Nc1nc2nc(C3CC3)ncc2cc1-c1ccccc1Br 27301508 ZLHGGIGBRYCDIY-UHFFFAOYSA-N 341.212 3.914 0 1 EHAF Cc1ccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)cc1C 29479485 YFINXGWJMAGKJW-UHFFFAOYSA-N 349.360 3.576 0 1 EHAF C[C@H]1C2=CC(=O)OC2=C[C@H]2[C@H]1CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C 38342669 PXLAMDZQSUFKAD-ITCUASGVSA-N 330.424 3.927 0 1 EHAF biogenic,in-vitro CCCCOc1cccc2cc(C(=O)NC3CCCC3)c(=O)oc12 211043831 UDOGQHXIXUMLJP-UHFFFAOYSA-N 329.396 3.644 0 1 EHAF Cc1nn(C(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c2ccccc12 36127424 QCBLBMZUEVXGGC-GRDNDAEWSA-N 341.455 3.706 0 1 EHAF CC[C@@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)Nc1ccccc1 25427234 OBVBNLAYESNFSI-CVEARBPZSA-N 340.423 3.797 0 1 EHAF biogenic CCOC(=O)c1ccc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 586884927 BHYAFOJMZNYAIT-UGSOOPFHSA-N 338.407 3.885 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1nc4ccc(F)cc4s1)[C@@H](C2)C3=O 587428678 QADSLNAALONILM-GTNSWQLSSA-N 341.363 3.933 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CN(C)C)N1 587741231 MJKFYNLJSGKFCN-BONVTDFDSA-N 343.284 3.751 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cn(C)c4c(C)cccc14)[C@@H](C2)C3=O 587432030 TWRVTTGOZGTPPW-BTYIYWSLSA-N 333.387 3.984 0 1 EHAF CN(C)c1ncccc1-c1nc2c(F)c(Br)ccc2[nH]1 587195090 BBUVTCKQEVNTDO-UHFFFAOYSA-N 335.180 3.593 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCCc4c(OC)cccc41)[C@@H](C2)C3=O 587440215 BFQJSOSBRRMMOD-KKSFZXQISA-N 336.387 3.683 0 1 EHAF O[C@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)C1CCOCC1 586913172 IZXBHSBARCHBGV-LBPRGKRZSA-N 332.347 3.635 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C)[C@H](OC)C12CCC2 587487721 GZQWHFRJDTYXJL-CCMJGWDWSA-N 330.424 3.884 0 1 EHAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2n1 587024155 XEJZALNURIEIJT-UHFFFAOYSA-N 342.405 3.597 0 1 EHAF COc1ccccc1[C@@H]1CC(=O)Cc2nc3cccc4c3c(c21)CC4 587215029 YZXJCXFAQFCGBT-KRWDZBQOSA-N 329.399 3.989 0 1 EHAF COC(=O)c1cccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587151478 IBJLNFJTXMRTJI-RYUDHWBXSA-N 328.318 3.899 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H]2CCOC2)N1 587834021 JSCUADSOGURWCJ-OHUAYANFSA-N 342.252 3.764 0 1 EHAF CN1CCC[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 586988668 VEJRVGDSHSTBAL-ZDUSSCGKSA-N 344.414 3.961 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)nc1C)O2 587373191 RVGSKLYKNNEPCG-AWEZNQCLSA-N 347.212 3.750 0 1 EHAF Cc1cc(-c2nc3ccccc3n2Cc2ccccc2)cn(C)c1=O 1772603640 DOQOYKCTPOYVQT-UHFFFAOYSA-N 329.403 3.759 0 1 EHAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(CO)C(CO)=CCC[C@@H]21)CC(=O)O 13402911 RPHNSADJHUEKRG-DTTGVSNYSA-N 338.488 3.621 0 1 EHAF CC1(C)C=Cc2c(ccc3c2O[C@@H](O)[C@@H]2c4ccc(O)cc4O[C@H]32)O1 13431326 YTPKRSILLIAZAA-BHIYHBOVSA-N 338.359 3.505 0 1 EHAF O=S1(=O)c2cccc3cccc(c23)N1CCCCN1CCCCC1 13531191 NHEYYRVPHAQJEP-UHFFFAOYSA-N 344.480 3.615 0 1 EHAF C=CC[C@H]1CC(c2ccc3nc(-c4ccccc4)oc3c2)=NNC1=O 169023131 KZWORJVMTQPOSU-HNNXBMFYSA-N 331.375 3.911 0 1 EHAF Cc1cc(N2CCCCC2)nc(SCc2nc3ccccc3[nH]2)n1 169349043 WMBIDGNYGGNUQP-UHFFFAOYSA-N 339.468 3.944 0 1 EHAF 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CC(C)C1CCN(C(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)CC1 12209328 HPRBZAFUTGTRGU-SFHVURJKSA-N 348.531 3.842 0 3 EHAF CC(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)NCC(C)(C)C)cc1 61925847 WMRVJUUXUIEJLV-OAQYLSRUSA-N 344.499 3.506 0 3 EHAF CCN(CC)CC[C@H]1COC(c2ccccc2)(c2ccccc2)[C@@H]1O 26718652 OLNWUMKYDNNISB-GHTZIAJQSA-N 339.479 3.669 0 1 EHAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)CC[C@@H](C2CCCCC2)O3)S1 26962931 JFWPCWZTIJKSEU-DOTOQJQBSA-N 345.464 3.855 0 1 EHAF O[C@H]1CCN([C@@H]2CCCC[C@H]2OCCc2cccc3ccccc23)C1 28653874 YGFOYGMYBHFEOM-KSEOMHKRSA-N 339.479 3.777 0 1 EHAF CC(C)c1ccc(NC(=O)c2c(NCc3ccncc3)cnn2C)cc1 28889853 DLYDQCVZBQEHHR-UHFFFAOYSA-N 349.438 3.803 0 1 EHAF CC1=C[C@]2(O[C@H](COc3ccccc3)C1)C(=O)N(C)c1ccccc12 36382058 CMXOKAIKBGBGQL-LAUBAEHRSA-N 335.403 3.673 0 1 EHAF CN1CCN2c3ccc(Cl)cc3C(Cc3ccccc3)=NC[C@@H]2C1 40526048 HHJVIBOGXUWTMJ-QGZVFWFLSA-N 339.870 3.506 0 1 EHAF CNc1cc(Cl)cc2[nH]c(O)c(-c3cccc(OC)c3)c(=O)c12 43070335 JQLVRHWSVSHKPY-UHFFFAOYSA-N 330.771 3.604 0 1 EHAF 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CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)c(C)o1)CC2=O 587486048 WPTJADHROIQTFH-KRWDZBQOSA-N 344.363 3.739 0 1 EHAF CCS(=O)(=O)c1ccc2nc(COc3cccc(C)c3C)[nH]c2c1 587563209 APPTVROFDKVXLL-UHFFFAOYSA-N 344.436 3.552 0 1 EHAF COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1cccc(Cl)c1 587633116 SMQYULHESDIHJI-UHFFFAOYSA-N 331.730 3.978 0 1 EHAF Cc1nn(-c2c(C)[nH]c3c(C(=O)O)cccc23)c(C)c1Br 587636915 PKXRKBTWJBFILI-UHFFFAOYSA-N 348.200 3.740 0 1 EHAF C[C@H]1CC(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1C 587818497 DWBMOKHXLZARNY-PIAUOXEZSA-N 340.236 3.563 0 1 EHAF CC[C@@H]1C[C@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587831160 GZRYURONRPMSJK-SIVJFFJCSA-N 342.252 3.907 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C[C@H]1CCCO1 587863088 QKOAXWLAQYZXHH-LLVKDONJSA-N 326.318 3.757 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cnccn1 587865748 HNTUDHUJRYACDX-UHFFFAOYSA-N 334.301 3.747 0 1 EHAF Nc1nc2nc3ccc(O)cc3c-2c(NCc2ccc(Cl)cc2)[nH]1 1772639771 VRMWGDJTEVKHID-UHFFFAOYSA-N 339.786 3.616 0 1 EHAF 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3.911 0 1 EHAF CC[C@@H](C)CN1C(=O)CSC[C@]1(C)C(=O)Nc1c(C)cccc1C 199231829 GAOWONUXEUPBAE-BFUOFWGJSA-N 348.512 3.622 0 3 EHAF COc1c(C(C)C)ccc2c1CC[C@@H]1[C@]2(C)CC[C@H](O)[C@]1(C)CO 145424993 WWWGODYSDJATPL-KOUHRCEDSA-N 332.484 3.792 0 1 EHAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccccc3)ccc12 96905948 NTLBTYGEJKWRLJ-LJQANCHMSA-N 336.416 3.615 0 1 EHAF Cc1ccc(C(=O)Nc2cccc3cccc(S(=O)(=O)O)c23)cc1 299820157 CFXUCXNPYZIOJN-UHFFFAOYSA-N 341.388 3.647 0 1 EHAF Cc1coc2ccc(-c3cc(=O)n4ncc(-c5ccccn5)c4[nH]3)cc12 653665231 NIJXLVZJQXURSV-UHFFFAOYSA-N 342.358 3.806 0 1 EHAF CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2cc(F)ccc12 587636049 YIIWIMBCEPQNJS-UHFFFAOYSA-N 336.363 3.508 0 1 EHAF COc1cc(-c2nc3c(N)ccnc3[nH]2)cc(Cl)c1OCC(C)C 587045944 KBEDQDQCAWOTDM-UHFFFAOYSA-N 346.818 3.904 0 1 EHAF CCCOc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1Br 586885571 BTMWCTMBNSDGCA-OAHLLOKOSA-N 341.249 3.978 0 1 EHAF COC(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2n1 587034289 RQHMOLPLXFLBBH-SECBINFHSA-N 327.409 3.598 0 1 EHAF COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cc(F)ccc12 587632670 GUFUDQQCIVLUQX-UHFFFAOYSA-N 331.730 3.983 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCC(=O)O)N1 587832111 YTPRDPTUGIJXKE-PSLIRLAXSA-N 344.224 3.593 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CC1CCOCC1 587612030 TVAGSJFRYBPDJF-QZTJIDSGSA-N 340.375 3.539 0 1 EHAF CN(C)C(=O)c1ccc2nc(-c3cccc4c3OCC4(C)C)[nH]c2c1 586911993 NOBVYJSFKAEVLT-UHFFFAOYSA-N 335.407 3.602 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccncc1)O2 587394609 IYXMFXXBPYYPLE-NRFANRHFSA-N 330.387 3.881 0 1 EHAF C[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610522 QCTIYMPLQNGKBZ-RXVVDRJESA-N 348.354 3.975 0 1 EHAF COc1ccc(CCCc2nc3ccc(C(C)=O)cc3[nH]2)c(OC)c1 587928372 FDLUZQZXPDFPDU-UHFFFAOYSA-N 338.407 3.958 0 1 EHAF O=c1oc2cc(O)cc(O)c2cc1-c1cc(Br)cs1 1772637176 BRYSHKMJTJPOSZ-UHFFFAOYSA-N 339.166 3.695 0 1 EHAF CCCn1cc(-c2cc[nH]c(=N)n2)c2ccc(Br)cc21 1857537504 XHUJKLYZVHHOTJ-UHFFFAOYSA-N 331.217 3.683 0 1 EHAF Cc1cc(CNc2cc(Br)cc3[nH]ncc23)ccc1O 1857551989 IZMPZMIOIWUIIC-UHFFFAOYSA-N 332.201 3.952 0 1 EHAF NC(=O)c1c(F)ccc2[nH]c(-c3ccc(-c4ccncc4)cc3)nc12 1857580518 WGOPSSSZYKVRLR-UHFFFAOYSA-N 332.338 3.530 0 1 EHAF CN(C)CCCNc1nc2ccccc2nc1-c1nc2ccccc2o1 1857591172 WULICCOJGPWQTR-UHFFFAOYSA-N 347.422 3.802 0 1 EHAF CCOCC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 2069789 BPGICJTTYIFAEL-UHFFFAOYSA-N 332.787 3.567 0 3 EHAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1ccc(Cl)cc1 2356381092 ACROTYZPFLXEFQ-WWGRRREGSA-N 337.920 3.747 0 1 EHAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1OC(C)(C)C)C2 100809318 KUCREJGSOGHLBH-HUUCEWRRSA-N 331.460 3.611 0 1 EHAF O=[S@](C[C@@]12N[C@H](Cc3ccccc31)c1ccccc12)c1ccccc1 100649166 HTVFYUVEJALYGO-RQTOMXEWSA-N 345.467 3.938 0 1 EHAF CCOC(=O)Cc1nc(-c2ccc(OC)cc2)oc1-c1ccco1 28224015 URSTXNUDNQWACG-UHFFFAOYSA-N 327.336 3.716 0 1 EHAF COC(=O)C(C=CC1=C(C)CCCC1(C)C)=CO[C@H]1C=C(C)C(=O)O1 2356520171 CKPATFHQOSFGEL-QGZVFWFLSA-N 346.423 3.972 0 1 EHAF O=C1OCC(Nc2ccc(O)cc2)=C1c1ccc(Br)cc1 72119776 NQMRTTGGVWLFGL-UHFFFAOYSA-N 346.180 3.535 0 1 EHAF CN1C[C@H]2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)[C@@H]1C2 36289000 VERXRKORTGMYCE-UXPWSPDFSA-N 335.447 3.628 0 1 EHAF CC(C)c1cccc(-c2nc3c(N4CCN(C)CC4)nccc3[nH]2)c1 74386627 BPYFDKZRNPRWQH-UHFFFAOYSA-N 335.455 3.500 0 3 EHAF CN1C/C(=C\c2cccs2)C2=NN(C)[C@@H](c3cccs3)[C@@H]2C1 33917372 IGQWEABOPCBVFJ-ARCVRQHBSA-N 329.494 3.797 0 1 EHAF COc1ccc(C2=NO[C@@H](Cc3ccc4c(c3)OCO4)CC2)cc1 40913887 CLNDGMYVDWZQBQ-MRXNPFEDSA-N 325.364 3.550 0 1 EHAF CCCCNC(=O)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82136219 VOKNMSADRRKDIJ-UHFFFAOYSA-N 342.418 3.635 0 1 EHAF Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c(C)c1 145159698 NABZXOUEDLQIKE-UHFFFAOYSA-N 337.427 3.847 0 1 EHAF O=C(c1ccc(-c2cc3ccccc3oc2=O)nc1)c1ccccc1O 98085362 VAMZHXJNVXTEFR-UHFFFAOYSA-N 343.338 3.792 0 1 EHAF CC[C@@H](Oc1ccccc1Cl)c1nc2c(C(=O)OC)ccnc2[nH]1 587062301 QWZQBWWLUPBNMA-GFCCVEGCSA-N 345.786 3.928 0 1 EHAF CCc1oc2ccccc2c1-c1nc2c(S)nc(S)nc2[nH]1 586904649 XOVDUGVECPZJRP-UHFFFAOYSA-N 328.422 3.906 0 1 EHAF CC(=O)[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587823592 QGFXNKAQDLTKHD-HCYDYPBKSA-N 340.236 3.707 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)(C1CC1)CC2=O 587476741 AOHFJNXUBZZHTQ-HXUWFJFHSA-N 346.423 3.802 0 1 EHAF Brc1c[nH]c2nc(C=C3C4CC5CC(C4)CC3C5)nc-2n1 587965466 TZUNFQPIUCBHPO-UHFFFAOYSA-N 345.244 3.907 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)n1 587571954 SMXIGFFWQLJKLC-LPHOPBHVSA-N 337.306 3.629 0 1 EHAF Cc1cnc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2c1 587201423 MIXYZTSVWSCKDL-UHFFFAOYSA-N 332.448 3.847 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(O)c(C)c(C)c1O)O2 587403565 IRQHIXWQYKSIDK-OAHLLOKOSA-N 327.380 3.620 0 1 EHAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(Br)nc3[nH]2)cc1 586889413 NOUIPRYXIWDYDY-HZMBPMFUSA-N 346.228 3.866 0 1 EHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cccc(C(=O)O)c2[nH]1 587926070 HGNHXZTZAZOPNM-GFCCVEGCSA-N 340.379 3.820 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)c(OC)c1)[C@@H](C2)C3=O 587422107 CBRYDACBZBZWLW-DJJJIMSYSA-N 328.339 3.506 0 1 EHAF CC[C@H]1C(=O)C[C@@H]2[C@H]3CC[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 685935956 RFTIRMPAYWBDKJ-MNLHMHOASA-N 334.500 3.566 0 1 EHAF biogenic,in-vitro COc1ccc(Cl)c2c1CCN[C@H]2c1cccn1C[C@H]1CCCO1 963259032 QRRPXULASOGEPQ-YJYMSZOUSA-N 346.858 3.564 0 1 EHAF COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1c(C)cc(C)cc1C2=O 5539699 UXAZKBHZGZZGML-RXVVDRJESA-N 348.402 3.817 0 1 EHAF O=C(c1ccsc1)N1CCC[C@@](CO)(CCc2ccccc2)C1 11996984 UMMLEAXWRDLCFP-LJQANCHMSA-N 329.465 3.596 0 1 EHAF CCCCn1nc(C)c2c(=O)[nH]c(-c3ccccc3OCCC)nc21 13755568 FVTSLDAXXBMRGN-UHFFFAOYSA-N 340.427 3.684 0 1 EHAF COc1ccc2[nH]c([C@@H]3C(=O)Nc4ccc(F)cc43)c(N=O)c2c1 169723377 IUPMZLLDLMDWGZ-CQSZACIVSA-N 325.299 3.798 0 1 EHAF O=C(OCc1cn(-c2cc(Cl)ccc2Cl)nn1)c1ccccc1 1857629316 DGPBEHCZERVQPW-UHFFFAOYSA-N 348.189 3.931 0 1 EHAF CC(C)(C)c1ccc(OCCCN2CCN([C@H]3CCCO3)CC2)cc1 1857630316 KAEQFAZXMAIKRZ-HXUWFJFHSA-N 346.515 3.507 0 1 EHAF FC(F)(F)c1cc2[nH]c(-c3ccncc3)nc2cc1-n1ccnc1 12632 AZWPOGOYJKUZCU-UHFFFAOYSA-N 329.285 3.829 0 1 EHAF COc1cc2ncnc(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC(C)=O 4617803 ZXXUUYKUUAWFJM-WMLDXEAASA-N 349.390 3.532 0 1 EHAF O=C(O)c1ccc2c(c1)nc(-c1ccc(CO)o1)n2C1CCCCC1 28104158 PCNSQMSHCZZTCX-UHFFFAOYSA-N 340.379 3.992 0 1 EHAF C[C@@H](CN1C(=O)CC(=O)N(C2CCCC2)C1=O)c1cccc(Cl)c1 101678011 WMPUQAUODFPTRQ-LBPRGKRZSA-N 348.830 3.567 0 1 EHAF O=[S@@]1Cc2c(nn(-c3ccc(Cl)cc3)c2O)-c2ccccc21 100987293 QQOODIYPXDKHTG-QFIPXVFZSA-N 330.796 3.520 0 1 EHAF CC(C)=CCCC(C)=CCC[C@H]1[C@@H]2CC[C@H]3[C@@H](O)O[C@@H](O[C@H]1O)[C@H]23 2356484714 FGMCHIORPBCHGW-SLLBGGHUSA-N 336.472 3.741 0 1 EHAF CCOc1ccc2c(c1)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 1728550 XVRUBQATFSXBHX-INIZCTEOSA-N 325.408 3.552 0 1 EHAF biogenic CC(C)=CC(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@H]2C(=O)CC[C@H](C)[C@]12C 15058485 YZMCEIPMEWQHNJ-NYXTUMHJSA-N 346.423 3.807 0 1 EHAF biogenic CC[C@]1(O)C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]2(C)[C@@H]1O 17312970 MIAWQCWOHVVLMH-VXAANUECSA-N 330.468 3.663 0 1 EHAF biogenic O=C(Nc1ccccc1)N1CCN(Cc2ccnc3ccccc23)CC1 136437692 PIXYXAIQXDILON-UHFFFAOYSA-N 346.434 3.585 0 1 EHAF COc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1 40423647 OOAGGWFWEDEIEG-UHFFFAOYSA-N 331.379 3.852 0 1 EHAF C/C=C(\C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)/C(C)=C/C)CO1 238759727 DHODRBNDPARNFW-MMLSZFSYSA-N 344.407 3.602 0 1 EHAF CC(C)CCNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 95599919 OMJNHIJMAFILJP-UHFFFAOYSA-N 325.334 3.871 0 3 EHAF c1ccc(-c2nc3c(c(OCCCN4CCCCC4)n2)CCC3)cc1 299826059 YKWKBXRACYQMES-UHFFFAOYSA-N 337.467 3.887 0 1 EHAF COC(=O)c1ccc(NC(=O)Nc2nc3ccc(F)cc3s2)cc1 653882804 AQXVBIHSCKSSOA-UHFFFAOYSA-N 345.355 3.866 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1nccnc1CC)CC2=O 587490750 ZIRZEKDEXYVNPQ-LJQANCHMSA-N 326.396 3.578 0 1 EHAF COC[C@@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796321 UBKYAIZZYFSDAK-QFYYESIMSA-N 342.252 3.764 0 1 EHAF COc1ccc(NC(C)(C)c2nc3cccc(C(=O)O)c3[nH]2)cc1 587201329 KJGBKTFFTMJTOY-UHFFFAOYSA-N 325.368 3.617 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(N)c1)O2 587377224 LUZUXHZNWYNAFX-OAHLLOKOSA-N 347.212 3.628 0 1 EHAF Fc1ccc(-c2cnn(Cc3nc4cc(F)c(F)cc4[nH]3)c2)cc1 587164801 AZZIPDBATXKWNF-UHFFFAOYSA-N 328.297 3.892 0 1 EHAF CSCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612257 IZUMUQGHQZKPDK-QAPCUYQASA-N 330.405 3.866 0 1 EHAF C[C@@H](F)[C@H](N)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587126750 XZHZWXUQYQSYIT-VHWMUFPASA-N 340.118 3.702 0 1 EHAF COc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1C 587162271 IQNFRDAULLOJRD-UHFFFAOYSA-N 327.359 3.590 0 1 EHAF C[C@]1(Cc2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586636 KXKGDCPJBHILCW-GHTZIAJQSA-N 347.370 3.750 0 1 EHAF COC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCC1 587600525 OEABARBUNNUSAH-QFBILLFUSA-N 340.375 3.682 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CCCOC2)N1 587833433 GJXROGAGTYGAOP-BJOHPYRUSA-N 326.209 3.510 0 1 EHAF CSCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614700 USDCDQYNGPISGY-HOCLYGCPSA-N 330.405 3.866 0 1 EHAF Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnn1C 586986287 ABZQFGZVHPTNRK-UHFFFAOYSA-N 341.370 3.861 0 1 EHAF O=C(Oc1ccccc1)N1CCc2nc3cccc4c3c(c2CC1)CC4 587212365 ODEFHDLZHVUPJM-UHFFFAOYSA-N 344.414 3.933 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)F)c(O)c1)O2 587381261 DVAKDJFMRSEOGI-OAHLLOKOSA-N 335.306 3.591 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCCO2)N1 587832855 LFGVVSGSHXRHFE-BCQZVRRWSA-N 328.225 3.733 0 1 EHAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cccc(-c2nn[nH]n2)c1 963236182 XSGIIUFCOFVRSS-LIRRHRJNSA-N 333.439 3.613 0 1 EHAF CCOC(=O)[C@@]1(c2ccccc2)N=C(CC)N(C)Cc2ccccc21 13600334 XPGQIYFZIZKCPS-NRFANRHFSA-N 336.435 3.747 0 1 EHAF O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 13861703 WSPGJGOBUJGMBV-UHFFFAOYSA-N 328.843 3.735 0 1 EHAF c1ccc(-c2ncoc2-c2ccc3nnc(-c4ccno4)n3c2)cc1 14961252 LOUVMERWKDIHEE-UHFFFAOYSA-N 329.319 3.706 0 1 EHAF c1ccc(CSc2ccc3nnc(-c4cccs4)n3n2)nc1 4271407 NJUIEZYFGRIYHE-UHFFFAOYSA-N 325.422 3.540 0 1 EHAF CN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1N1CCCC1 6018040 CSVWEZDKEMVZHC-MSOLQXFVSA-N 334.891 3.748 0 1 EHAF CCC/N=c1\c(NC(=O)c2cccs2)c(O)oc2ccccc12 6917509 XJEDJBJGSDWDJK-JXAWBTAJSA-N 328.393 3.763 0 1 EHAF CN(CCCn1cnc2c3ccccc3nc-2c1O)C1CCCCC1 103533761 VGPSWABMTXPQES-UHFFFAOYSA-N 338.455 3.896 0 1 EHAF O=C(O)CC1=C(c2ccccc2)N=C(S)N[C@H]1c1cccs1 29416146 AXMNQKSHSSEJOY-OAHLLOKOSA-N 330.434 3.564 0 1 EHAF CCOC(=O)CCCN1C=C2c3ccccc3CCC[C@H]2CC1=O 103297180 QABCUJZRPKZTTM-INIZCTEOSA-N 327.424 3.556 0 1 EHAF NC(=S)N1N=C(c2ccccn2)C[C@@H]1c1cccc2ccccc12 103193123 MZDKDAJEUARZIB-GOSISDBHSA-N 332.432 3.630 0 1 EHAF CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc(F)ccc2[C@H]1C 27627510 SCAXRYFJSQKDMF-GFCCVEGCSA-N 340.402 3.657 0 1 EHAF CC(C)=CC[C@@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 27882080 NVOIVNCGPIYQLV-MFKWGIFDSA-N 340.504 3.599 0 1 EHAF O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2ncccc12 40865336 XLAQXVYOJWUPCD-UHFFFAOYSA-N 333.435 3.700 0 1 EHAF c1cncc(CNc2cc(Oc3cccc4cccnc34)ncn2)c1 82068309 CVMWAPUKGVZLMA-UHFFFAOYSA-N 329.363 3.824 0 1 EHAF COc1cc(F)cc2c1nnc1c(C)nc(-c3cccc(F)c3C)n12 84711401 NZCMIAMNCOZWCF-UHFFFAOYSA-N 340.333 3.848 0 1 EHAF COc1ccc(Oc2cc(NCc3ccccc3OC)ncn2)cc1 82068276 YJXVZLMDDWYFGJ-UHFFFAOYSA-N 337.379 3.898 0 1 EHAF CC(C)c1cc2c(NC[C@@H](C)N)nc(-c3ccncc3)nc2s1 223673367 NSBZXFHSKFXCGL-LLVKDONJSA-N 327.457 3.636 0 1 EHAF COC(=O)[C@]12C=NC[C@@]3(CCC1)[C@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@H]32 238788612 LLVMHQOQVUMUSA-UJYBSYEXSA-N 341.451 3.996 0 1 EHAF Cc1cccc(-c2noc(C3CN(C(=O)[C@@H]4CCC[C@H](C)C4)C3)n2)c1 95574238 MFVPSSXAOAFJQR-GOEBONIOSA-N 339.439 3.797 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1C=C(C)[C@@]2(O)C[C@H](C(C)C)CC[C@@]2(C)C1=O 238743623 UNKODKJXJLZFHB-BFDSLJDDSA-N 334.456 3.587 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](CC(=O)OC)[C@H]1C)CC2=O 587478287 ISGJIUOAIOISDI-VFGMZZLHSA-N 346.423 3.658 0 1 EHAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587151766 VQJMAGXQDKOUSL-LURJTMIESA-N 344.243 3.742 0 1 EHAF COc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1C 587177952 IOVITWLWAXRATR-UHFFFAOYSA-N 336.164 3.844 0 1 EHAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(F)cnc2[nH]1 587201357 LAOLRZPSNSHPPA-UHFFFAOYSA-N 336.411 3.678 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587419649 HMHJKBDUIXJSJT-BONVTDFDSA-N 336.174 3.886 0 1 EHAF Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C 587791792 NCNKILFVXAJDFI-WJWGPLDTSA-N 338.224 3.552 0 1 EHAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 587587644 NROVEYUFQGNWIK-PXNSSMCTSA-N 333.343 3.799 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(Cl)ccnc2[nH]1 586917651 ULCQOAMJELWHKV-KPZWWZAWSA-N 341.798 3.828 0 1 EHAF CC[C@]1(Cc2nc3c(Cl)ncnc3[nH]2)CC(=O)c2ccccc2C1 587962599 XRKWVMYWLITQMX-GOSISDBHSA-N 340.814 3.774 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCC(F)F)c1)O2 587382487 LWWGGDJNEIUVHG-INIZCTEOSA-N 333.334 3.928 0 1 EHAF N[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587334447 JNJNMGFVSQGNSV-WNYOCNMUSA-N 341.382 3.530 0 1 EHAF O=C(c1ccccc1)c1ccc2nc(-c3cccc(CO)c3)[nH]c2c1 586895031 LPTHRRMZIMAPHV-UHFFFAOYSA-N 328.371 3.953 0 1 EHAF Fc1cc2[nH]c(-c3ncccc3C(F)(F)F)nc2cc1-n1cccn1 587109191 VEEJBVPZWWPFSB-UHFFFAOYSA-N 347.275 3.969 0 1 EHAF Nc1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587511423 PXNJMTMVOCTXRO-OAQYLSRUSA-N 335.403 3.791 0 1 EHAF CCOc1cc2nnnc(Nc3ccc(Cl)cc3)c2cc1OC 118203843 IRQXLROBFXMJQR-UHFFFAOYSA-N 330.775 3.829 0 1 EHAF Cc1nc(N2CCCC[C@@H]2CCO)c2[nH]c(-c3ccccc3)cc2n1 13835007 SCUJDTWWAAGNNN-MRXNPFEDSA-N 336.439 3.675 0 1 EHAF Clc1ccc2ncnc(Nc3ccc([C@H]4CNCCO4)cc3)c2c1 150009386 JIQVQBMDTBJVJE-QGZVFWFLSA-N 340.814 3.688 0 1 EHAF CC(C)n1c(O)nc2ccc(OCCOc3cccc(F)c3)cc21 1857563037 LWGKYLZORQUIJE-UHFFFAOYSA-N 330.359 3.920 0 1 EHAF FC(F)(F)c1ccc(-c2cccc(CNCC3CCNCC3)n2)cc1 1857767105 UBQQCKJUQUISHO-UHFFFAOYSA-N 349.400 3.857 0 1 EHAF C[C@@H](Nc1nnc(Nc2ccc(Cl)cc2)nn1)c1ccccc1 58599254 LISJXWGALHIDGE-LLVKDONJSA-N 326.791 3.837 0 1 EHAF O=C1N[C@@H](c2c[nH]c3ccc(Br)cc23)Nc2ccccc21 103297242 QPAUXWJLCLEWAG-HNNXBMFYSA-N 342.196 3.785 0 1 EHAF CN1C[C@@H]2C[C@H]1[C@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 26282039 VERXRKORTGMYCE-LSTHTHJFSA-N 335.447 3.628 0 1 EHAF COc1ccc2nc(C(=O)Nc3ccc([C@H]4CCNC4)cc3)ccc2c1 117726098 HCCQLOQQCSGPSC-INIZCTEOSA-N 347.418 3.573 0 1 EHAF CC(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@H]21 2356417263 WIPNMFLFZURMNZ-BMVSQZNASA-N 344.451 3.975 0 1 EHAF Oc1n[nH]c(C(F)(F)F)c1Cc1ccc(OC(F)(F)F)cc1 27307769 FMSKDHFRDRSBHD-UHFFFAOYSA-N 326.196 3.624 0 1 EHAF CC[C]1C=CC(=C2NC(I)=CC=C2O)C=C1 2356826683 YLMCQFMUBULXKV-UHFFFAOYSA-N 326.157 3.672 0 1 EHAF COc1cc(Sc2c[nH]c3ccc(N)cc23)cc(OC)c1OC 28651321 XHDDQZSEXRPSPD-UHFFFAOYSA-N 330.409 3.927 0 1 EHAF Cc1cn(Cc2coc(-c3ccccc3Br)n2)c(C)n1 72142714 IOMBCTGSWFDMFI-UHFFFAOYSA-N 332.201 3.966 0 1 EHAF CC(C)(O)CCc1c(O)ccc2c1O[C@@H](c1ccc(O)cc1)CC2 15115021 AEMKOWDOUOTRQW-GOSISDBHSA-N 328.408 3.868 0 1 EHAF biogenic CC(C)CN(C(=O)c1cccc(C(F)(F)F)c1Cl)[C@@H]1CCNC1 215926310 CCXVQWDBHGEOJC-LLVKDONJSA-N 348.796 3.819 0 1 EHAF in-vitro CC(C)(C)c1cccc([C@@]2(c3ccccc3)N=C(N)N3CCCN=C32)c1 45319387 ADMMMBVWAVNVKS-JOCHJYFZSA-N 346.478 3.660 0 1 EHAF COC[C@@H](C)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O 43077370 DYWGXFSFJDUCMV-CYBMUJFWSA-N 335.835 3.773 0 1 EHAF CO[C@@H]1CC[C@@H]1N1C(=O)CS[C@H]1c1c(Cl)cccc1Cl 40979245 JWBWEGWRAAKCHC-WDMOLILDSA-N 332.252 3.745 0 1 EHAF Cc1ccccc1-c1csc(N2CCC[C@H]2C(=O)NCC(C)C)n1 82191977 BYMCCYZLJCKGTE-KRWDZBQOSA-N 343.496 3.860 0 1 EHAF CC(C)=CCc1c(O)ccc([C@@H]2COc3cc(O)ccc3[C@H]2O)c1O 142036401 VJHBTCCKVUQBRP-OXJNMPFZSA-N 342.391 3.522 0 1 EHAF CC1(C)CCN(c2ccc(C#Cc3cc(F)ccc3F)cn2)C(=O)C1 143937074 JWAPZTBXKGEHLZ-UHFFFAOYSA-N 340.373 3.913 0 1 EHAF C[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@H](O)CC[C@]54C)[C@@H]2CC[C@H]13 299848389 OPBWRTJTMOOQDF-PPIROARLSA-N 334.500 3.725 0 1 EHAF CN(C)C(=O)c1ccc(-c2cnc3cnc(-c4ccsc4)cn23)cc1 653757344 HKNQJXOVIYWJCX-UHFFFAOYSA-N 348.431 3.827 0 1 EHAF CCC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)COC1 587832049 AVJVSUHEPXUAJI-LKFCYVNXSA-N 328.225 3.590 0 1 EHAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc(O)c2[nH]1 587201815 WBNZDHQJDGZQIF-UHFFFAOYSA-N 333.432 3.849 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc(C)cnc1Cl)[C@@H](C2)C3=O 587420896 MQPQVAIPMHMFFF-SGTLLEGYSA-N 329.783 3.715 0 1 EHAF COc1ccc2c(c1)C[C@H](c1nc3cc(F)cc(C(=O)O)c3[nH]1)CC2 587947095 SKAIMKBFYRJPPI-LLVKDONJSA-N 340.354 3.681 0 1 EHAF Cc1ccnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587660571 HAXMQYKQNZSAKI-UHFFFAOYSA-N 331.350 3.895 0 1 EHAF COc1ccc(CC[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441518 HHXFXBSCLCTUGG-UTKZUKDTSA-N 338.403 3.843 0 1 EHAF COc1ccc(OC(C)(C)C)n1-c1nc(N2CCCCC2)ncc1F 587945211 LVNYYERIEUGZBS-UHFFFAOYSA-N 348.422 3.583 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1N)O2 587378964 XUABWKUIHHXFSW-OAHLLOKOSA-N 347.212 3.628 0 1 EHAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(C(=O)OC)ccnc2[nH]1 587952487 RXNFCYSLVZLCCK-BZPMIXESSA-N 331.416 3.791 0 1 EHAF CCC[C@@]1(C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810167 CAKCZMOBLDAZRC-VFZGTOFNSA-N 328.225 3.707 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)C(C)(C)Br 963642517 YRFOJSDFNAGYTL-QFYYESIMSA-N 342.277 3.627 0 1 EHAF CC(C)[C@]1(CCCCCCC(=O)O)NCCc2nc3ccccn3c21 962991328 VBVYFKPWACJNIS-FQEVSTJZSA-N 343.471 3.757 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(Cl)cnc1C 963056168 LFJXLSOYQHKPKA-LJQANCHMSA-N 339.826 3.835 0 1 EHAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1ccc2snnc2c1 963095670 DHHCWICKSZZXNU-KDOFPFPSSA-N 325.412 3.940 0 1 EHAF CC(C)(Cc1csc(-c2ccccc2)n1)NC(=O)N1CCCC1 1772603770 QDNNWECBYLSWQZ-UHFFFAOYSA-N 329.469 3.937 0 1 EHAF CN1Cc2c(C3=CCNCC3)[nH]c3ncc(F)c(c23)-c2ccccc21 1772589759 RCPVPRBBMXMZMR-UHFFFAOYSA-N 334.398 3.696 0 1 EHAF Cc1ccc(Oc2sc(C(N)=O)c3c2-c2sncc2CC3)cn1 1772603623 CDVRWNCFJKEAKY-UHFFFAOYSA-N 343.433 3.565 0 1 EHAF CCN1CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)C[C@@H]1C 169291062 ILZHSLITVGQLJG-GHTZIAJQSA-N 336.479 3.566 0 1 EHAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1 169314085 XVOOTZXSASFQRD-POGVKLQHSA-N 333.431 3.879 0 1 EHAF CC(C)[C@H](CO)NCc1nc(-c2cnc3ccccc3c2)ccc1F 204412260 NGMIWWJIKLMEEZ-FQEVSTJZSA-N 339.414 3.542 0 1 EHAF COC(=O)c1cc2cc(NC(=O)c3c(C)cccc3Cl)cnc2[nH]1 205524542 UVFLAWMNLLGDNC-UHFFFAOYSA-N 343.770 3.564 0 1 EHAF Clc1cc(NCC2CC2)c2ncc(-c3ccc4nc[nH]c4c3)n2n1 1857598100 BCZVWAYFOJYNBL-UHFFFAOYSA-N 338.802 3.748 0 1 EHAF CCc1cc(-n2ccnc2C)ccc1-c1ccc(-c2nn[nH]n2)cc1 1857774478 UUGNAEZDLWOKIU-UHFFFAOYSA-N 330.395 3.590 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ccccn2)/C1=C(\O)OCC(C)C 27558807 BFPFNLZJTIHVSQ-PWVLXBNSSA-N 331.372 3.590 0 1 EHAF Cn1nnc2cc(-c3noc(-c4ccccc4C(F)(F)F)n3)ccc21 64979890 WNXQODMNKJLXOB-UHFFFAOYSA-N 345.284 3.704 0 1 EHAF CC=C(C)C(=O)O[C@@H]1[C@@H]2CO[C@H](O)[C@@H]2[C@@]2(C)C(C)(C)CCC[C@@]12C 2356680146 WYCGITBNEASEQG-WLCXVKOPSA-N 336.472 3.682 0 1 EHAF O=C(c1ccccc1)C1CCN(C(=O)c2cc3ccc(O)cc3[nH]2)CC1 35259671 WFLDEUOINAAHBR-UHFFFAOYSA-N 348.402 3.609 0 1 EHAF O=C1CCCCCCCCCCCCCCC(=O)O[C@@H](CO)CO1 15261840 IYZZWBYZVBUCPI-KRWDZBQOSA-N 342.476 3.909 0 1 EHAF biogenic CCC[C@@H](Cc1coc2nc(N)nc(N)c12)c1ccccc1OC 45386588 YGUDCFAGRCRLHT-NSHDSACASA-N 326.400 3.522 0 1 EHAF O=C(O)c1cc(N(Cc2ccccc2F)Cc2ccccc2F)n[nH]1 43019128 WRYLGVZPOKRCNP-UHFFFAOYSA-N 343.333 3.593 0 1 EHAF Oc1cc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]n1 95552771 UCAUVGXSNXVHHN-UHFFFAOYSA-N 326.196 3.732 0 1 EHAF CCNC(=O)Nc1nc2ccc(-c3ccccc3OC)nc2s1 95603218 ZHTHDLSBMQXTFG-UHFFFAOYSA-N 328.397 3.508 0 1 EHAF COC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253699415 IVJOAORQVUYFDW-GHMCFOSQSA-N 347.499 3.639 0 1 EHAF CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C(C)/C2=C(\O)OC)cc1 621435218 LVEPLQAHYPGZQW-LXMVLSBBSA-N 345.395 3.506 0 1 EHAF Cc1nc(C)c(C(=O)O)c(-c2ccccc2C(F)(F)F)c1C(=O)O 38891752 HARMPNHCXGTUAU-UHFFFAOYSA-N 339.269 3.781 0 1 EHAF biogenic COC(=O)c1cc2[nH]c(/C=C/c3ccc(C)c(F)c3)nc2cc1OC 587146327 INMYRKUJLFQDCJ-VOTSOKGWSA-N 340.354 3.976 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)cc1Br)O2 587377113 KYCWDPYAMDQNKK-HNNXBMFYSA-N 348.196 3.752 0 1 EHAF COC(=O)c1cc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2cc1OC 586886464 GDORTHVKPJCNTK-YCRPNKLZSA-N 348.402 3.730 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cnc1N)CC2=O 587460740 HQKOTFHPGJGRDO-HNNXBMFYSA-N 332.787 3.682 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(N)cc31)CC2=O 587472548 JMZNRNGYURCTPJ-HXUWFJFHSA-N 339.391 3.570 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnc(Cl)cc1Cl)[C@@H](C2)C3=O 587423309 WOOMLIKSLNUKQI-XXFAHNHDSA-N 336.174 3.886 0 1 EHAF Cc1cc(Br)cc2nc(C[C@H](C)CCC(=O)O)[nH]c12 587961075 PHPYVJBHYMNYLC-MRVPVSSYSA-N 325.206 3.677 0 1 EHAF Cc1ccncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589181 WBCGICHQTVOUIE-XLIONFOSSA-N 333.343 3.799 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ncc[nH]1)CC2=O 587480120 CGPRILWNOMZKDE-NRFANRHFSA-N 348.402 3.977 0 1 EHAF Cc1oc(-c2cccs2)nc1[C@H]1NCCc2nc3ccccn3c21 962987449 WMVGPWMOYKYMDL-MRXNPFEDSA-N 336.420 3.594 0 1 EHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCCC23CCC3)N1 962972242 IEHXTICNFWRHPX-SJCJKPOMSA-N 341.785 3.767 0 1 EHAF CN1C[C@@H]2C[C@@H](OC(=O)C(c3ccccc3)c3ccccc3)C[C@H]1C2 13446468 PCEDEEWEONTUHP-PWIZWCRZSA-N 335.447 3.844 0 1 EHAF COc1cccc(C(=O)N2CCc3cc(-c4cccnc4)ccc32)c1 169350422 QIQXRCAYJBPXCD-UHFFFAOYSA-N 330.387 3.960 0 1 EHAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3cccc(OC)c3)oc2c1 168915070 ZBCOXRMDWKRAOY-GFCCVEGCSA-N 349.390 3.754 0 1 EHAF O=S(=O)(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccnc1 1857551534 NOHWXXLUILKIEZ-SOFGYWHQSA-N 328.315 3.513 0 1 EHAF COc1ccc2c(c1)CCN1C[C@H]2O[C@H]1[C@@H](F)CCc1ccccc1 1857587091 PPEZGVNEPSXGQA-HBMCJLEFSA-N 341.426 3.922 0 1 EHAF CC1(C)[C@H](C(=O)NCC2CCC(C(=O)O)CC2)[C@H]1c1ccc(F)cc1 1857771654 GBWVWDFLDLELOX-BLMDWJLWSA-N 347.430 3.573 0 1 EHAF COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)cc2c1 34214888 JDZINPGYLDQVQR-XMMPIXPASA-N 344.436 3.505 0 1 EHAF COC(=O)c1cc(C)ccc1C[C@@H](Cc1ccccc1C)C(=O)OC 1646087 CDVMJIHYSQQTGH-GOSISDBHSA-N 340.419 3.664 0 1 EHAF C[C@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O 5573706 HMAABAHMPJEWDJ-VNPNUMMWSA-N 342.391 3.564 0 1 EHAF CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 13782843 XLHVWZIVNKAJOS-SFTDATJTSA-N 337.463 3.898 0 1 EHAF O=c1ccc2cnc(Nc3ccccc3)nc2n1[C@@H]1C[C@H]2CC[C@@H]1C2 13835432 QAWADIWIAIIMDV-JJRVBVJISA-N 332.407 3.896 0 1 EHAF CC[C@@H]1CN(C(=O)C(C)(C)C)CC[C@@H]1CC(=O)NC1CCCCC1 25430056 XOIADDPQMVOAEX-HZPDHXFCSA-N 336.520 3.746 0 1 EHAF biogenic c1ccc2cc(Cn3c(N4CCNCC4)nc4ccccc43)ccc2c1 26183909 LUAPLNWRHHWKLK-UHFFFAOYSA-N 342.446 3.647 0 1 EHAF C[C@@H]1CC[C@@H](C)N1CCN[C@H]1c2ccccc2OCc2ncccc21 27883607 QHSLZSOMQYGRSK-WHSLLNHNSA-N 337.467 3.526 0 1 EHAF Cc1csc(Cn2c([C@@H]3CCCN(C)C3)nc3ccccc32)n1 49110293 NBMXJNMUHLTYPM-CQSZACIVSA-N 326.469 3.659 0 1 EHAF O=C1CS[C@@H](c2ccc3c(c2)OCO3)c2c(ccc3[nH]ccc23)N1 82158132 DWZORTUBHHHDQD-SFHVURJKSA-N 338.388 3.671 0 1 EHAF CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCC[C@@H]3C)ncc2C)C1 82202468 GNYIQFMKIVKSSX-QAETUUGQSA-N 332.492 3.779 0 1 EHAF Cc1cc2c(c3c1C[C@@H]1[C@@H](C)CO[C@]1(C)O3)C[C@@H]1[C@@H](C)CO[C@]1(C)O2 96900521 VERLQDJLQOGTHS-IBRLSAIRSA-N 344.451 3.862 0 1 EHAF COc1ccc(C(=O)CSc2nccc(-c3ccccn3)n2)cc1 101352691 NWCMXCAWQAUHKD-UHFFFAOYSA-N 337.404 3.522 0 1 EHAF CC[C@H]1C(=O)NN=C(c2ccc3nc(-c4ccccc4)oc3c2)[C@H]1C 168466189 JWSNHFHRGRQMPP-SWLSCSKDSA-N 333.391 3.991 0 1 EHAF CCCSc1nc(Cc2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352170 AHDSZKKOHPUYRX-UHFFFAOYSA-N 326.824 3.964 0 1 EHAF COc1cc(OC)c2[nH]c(CCCCc3cccc(O)c3)nc2c1 586896776 XVOHYLCZOOZHRH-UHFFFAOYSA-N 326.396 3.851 0 1 EHAF Ic1cccc(/C=C/c2nc3cnccc3[nH]2)c1 587184749 VKZOMDYCRFWRRE-SNAWJCMRSA-N 347.159 3.733 0 1 EHAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587196553 VQKJZVAYEWSIOD-JTQLQIEISA-N 327.359 3.618 0 1 EHAF NC(=O)Nc1cccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587241692 GCDYIZBCSZVRGM-UHFFFAOYSA-N 338.264 3.878 0 1 EHAF Cc1cc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2cc1Br 587249498 NBECSTPQSUIONG-UHFFFAOYSA-N 346.184 3.581 0 1 EHAF COC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587377468 IQCVLEHYTJMHBY-GOSISDBHSA-N 331.799 3.738 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc3ccccc3nc1C)O2 587396115 WYOBEHNYRVTEPP-FQEVSTJZSA-N 333.391 3.709 0 1 EHAF COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@H](N=O)[C@H]2CC[C@]1(C)C2(C)C 587427121 CASCLXGKBZMYKU-LQLFEPIYSA-N 341.407 3.773 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](CO)C2)N1 587827035 MVTKPGFHNQTWIC-UVWXRNBGSA-N 342.252 3.500 0 1 EHAF COc1ccc(CCCc2nc3ccnc(Cl)c3[nH]2)c(OC)c1 587929503 VIKYGCCFZPOAKK-UHFFFAOYSA-N 331.803 3.804 0 1 EHAF NCCOc1c(Cl)cc(Nc2cnc3ccccn23)cc1Cl 653796446 XCJDXRXRZWAGSS-UHFFFAOYSA-N 337.210 3.722 0 1 EHAF CC(=O)c1cnn(C)c1[C@@]1(C)NCCc2cc(-c3ccccc3)ccc21 962668910 YUPVDZCQEMQASW-QFIPXVFZSA-N 345.446 3.699 0 1 EHAF COc1cccc(-c2nc(C)c(COc3cccc(C(=O)O)c3)o2)c1 1857645329 KBDJKXRBZJTLTC-UHFFFAOYSA-N 339.347 3.936 0 1 EHAF C(=Cc1nn2c(COc3ccccc3)nnc2s1)c1ccccc1 2356312166 DVEHWDNQXKRNBR-UHFFFAOYSA-N 334.404 3.935 0 1 EHAF CC1=CC=C[C@H](C)C(=O)C[C@@H](C(C)C)[C@H]2C=C(CC(=O)C1)C(=O)O2 2356550103 BMKPIWHFMRABEY-UCLAIMLFSA-N 330.424 3.571 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@H]12 2356643782 FKNIRWOLOYSZSG-QWNWYNEWSA-N 332.440 3.953 0 1 EHAF CCCN1C(=O)CN(C2CCC(C)CC2)C(=O)[C@@H]1c1ccc(F)cc1 217233 ZTEHFMNTMVLVRX-YVNUBYTISA-N 346.446 3.526 0 1 EHAF Cc1nc(N2CCCC[C@H]2C)c2c(C)c(C(=O)NC(C)C)sc2n1 223792 DTSDASDFCHAUTQ-LLVKDONJSA-N 346.500 3.825 0 1 EHAF CCCCc1nc2[nH]ncc2c2nc(-c3ccc(Cl)cc3)nn12 3945778 JNERZSAIKWMKMW-UHFFFAOYSA-N 326.791 3.664 0 1 EHAF COc1cc2c3c(cn(-c4ccc(F)cc4)c3c1OC)CN(C)CC2 28105270 WZSCCMIZBBXQBU-UHFFFAOYSA-N 340.398 3.775 0 1 EHAF COc1ccc2c(c1)[C@@H]1CN[C@H]2Cc2ccc(Br)cc21 29569598 WDZZIONYDSCSJX-SJORKVTESA-N 330.225 3.790 0 1 EHAF CN(CCC[C@H](O)c1ccc(F)cc1)CCN(C)Cc1ccccc1 26749237 BPHPPPLCTOOLKW-NRFANRHFSA-N 344.474 3.703 0 1 EHAF COc1ccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)cn1 61908080 MIARLQISBWHLQE-OAHLLOKOSA-N 334.347 3.574 0 3 EHAF C[C@H](O)CCCCCCC[C@@H]1C[C@H](O)[C@@H](Cc2ccccc2)N1C 2356801871 RSAHLKSYUJIVEC-KCLUMXDGSA-N 333.516 3.774 0 1 EHAF C[C@H](CO)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@H]1CC2=O 14774491 YNCLENYSOZNFFY-CVWILIBFSA-N 332.440 3.864 0 1 EHAF biogenic COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 139673046 MIGZPDXSSYXRKK-VOTSOKGWSA-N 330.380 3.900 0 1 EHAF O=c1cc(-c2cc(F)c(Cl)nc2Cl)c2c(O)cc(O)cc2o1 45370603 QMYKFVAVNONCNP-UHFFFAOYSA-N 342.109 3.712 0 1 EHAF O=C(c1ccc2c(c1)OCO2)c1c[nH]c2cc(Br)ccc12 50165819 NSELYMMJSJQFNQ-UHFFFAOYSA-N 344.164 3.890 0 1 EHAF COC(=O)c1cc2c(o1)c1ccccc1n2Cc1ccc2c(c1)OCO2 96917751 XPNBIEBLLGKIOM-UHFFFAOYSA-N 349.342 3.951 0 1 EHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cn1ccnc1C 587622873 IOOGIARTDZANQO-UHFFFAOYSA-N 344.216 3.668 0 1 EHAF C[C@H](N=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332255 CXEXYRFBBDDOKG-MENVHETRSA-N 329.327 3.804 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(F)F)cc1)[C@@H](C2)C3=O 587423252 SOIDXBQHGZRGKC-LIRRHRJNSA-N 346.329 3.828 0 1 EHAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587931858 UHNHRRJFRFPQDJ-DJJJIMSYSA-N 340.354 3.854 0 1 EHAF NC(=O)Nc1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 587243886 SJJVOECBMDMINB-UHFFFAOYSA-N 349.163 3.622 0 1 EHAF Oc1ncnc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc12 587163483 JSXIULYBYMCWEH-XYOKQWHBSA-N 338.367 3.848 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cccc(OC)c14)[C@@H](C2)C3=O 587438097 MBHIURLKZXOBGW-FKIZINRSSA-N 335.359 3.674 0 1 EHAF COc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(Cl)n1 587084320 YHYABNBTAOTDTF-UHFFFAOYSA-N 328.681 3.701 0 1 EHAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(CO)cc3[nH]2)c1 587052053 WIAOXHHSKRMJSZ-UHFFFAOYSA-N 343.814 3.970 0 1 EHAF CN1C(=O)C[C@H]2CN[C@@]3(C=C(c4ccccc4)CC3)c3cccc1c32 963036646 UOWFOOSGRBRTSV-JTSKRJEESA-N 330.431 3.813 0 1 EHAF Cc1c(F)ccc2c1[C@H](c1cccnc1OCC(F)(F)F)NCC2 962093924 SACOGYVXLXSRCC-HNNXBMFYSA-N 340.320 3.705 0 1 EHAF COc1ccc2oc([C@@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)cc2c1 963039646 ZGIVOUMZLKRSDH-LRTDBIEQSA-N 348.402 3.584 0 1 EHAF CC[C@@]1([C@H]2CCCNC2)c2ccsc2CCN1Cc1cccnc1 963006202 IJVUUFRPMPFTOB-FXAWDEMLSA-N 341.524 3.806 0 1 EHAF Cc1nccc([C@H]2c3ccsc3CCN2Cc2cccnc2)c1O 962998739 QBWUQNKWXLQDAV-GOSISDBHSA-N 337.448 3.700 0 1 EHAF CC1=C2CC[C@H](C)[C@@H]3CC[C@](C)(O)[C@H](CC/C(C)=C\[C@@H]2OC1=O)O3 169290279 UIXXPUQGCNBHRT-AUEWVCSYSA-N 334.456 3.683 0 1 EHAF Cc1ccc(-c2nn(CCc3ccccc3)c3ncnc(N)c23)cc1 1857564279 YNBSYWAMRUKAMA-UHFFFAOYSA-N 329.407 3.627 0 1 EHAF Cc1nn(-c2ccccc2)c2nc(C)n3nc(-c4ccccc4)nc3c12 1857587422 CQZVNDACLKPANX-UHFFFAOYSA-N 340.390 3.747 0 1 EHAF COc1cccc(-c2nc(CN(C)Cc3ccccc3)c[nH]2)c1OC 5518 SPRWFPWRLMRUIZ-UHFFFAOYSA-N 337.423 3.726 0 1 EHAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCC(C)C)cc1 774477 SQEHEJPZSVCTJD-UHFFFAOYSA-N 340.379 3.996 0 1 EHAF Cc1cc2cccc(-c3nc(-c4c(C)ncc5c4CCNC5)no3)c2o1 19743115 MCWRYUWOTQMHNS-UHFFFAOYSA-N 346.390 3.807 0 1 EHAF CNC(=O)N(C)[C@H]1c2ccc(C(F)(F)F)cc2Oc2ncccc21 28006979 KEPHBXZJUZRJMK-ZDUSSCGKSA-N 337.301 3.567 0 1 EHAF Cc1cc(=O)oc2c1c(-c1ccccc1)nn2-c1ccc(C(=O)O)cc1 36057365 NMACKEIFEVKKFU-UHFFFAOYSA-N 346.342 3.652 0 1 EHAF CCN(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2F)C1 39455292 RHYKZWUZAJGIJC-IBGZPJMESA-N 327.447 3.707 0 1 EHAF Cc1ccc2[nH]c3c(c2c1)CCN(CCCCN)[C@@H]3c1cccc(O)c1 49799651 BXICQWZRPBPABK-JOCHJYFZSA-N 349.478 3.868 0 1 EHAF CC(=O)Nc1cc(O)nc(SCc2ccc(C(C)(C)C)cc2)n1 73223506 MRFXHCWDSYRUJX-UHFFFAOYSA-N 331.441 3.730 0 1 EHAF C=CC1=CNC=C(C(=O)OC)[C@@H]1Cc1nccc2c1[nH]c1ccccc12 86020439 JQGGYOXTWZQQLY-MRXNPFEDSA-N 345.402 3.605 0 1 EHAF CCN(CC)CC(=O)Nc1nc(-c2ccc(F)cc2Cl)cs1 103168256 FVOKTWCJANQACA-UHFFFAOYSA-N 341.839 3.883 0 1 EHAF Cc1nc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)no1 143331581 DKFFXAMVDBTBOY-INIZCTEOSA-N 332.281 3.824 0 1 EHAF COc1nn2cc(-c3cc4cc(Cl)c(OC)cc4o3)nc2s1 143842417 OVFCXMBHMZVZTL-UHFFFAOYSA-N 335.772 3.875 0 1 EHAF O=C(N[C@H]1CCc2cc(Cl)cc(Cl)c21)[C@@H]1COc2ncccc21 205100389 KWFRKVWOJFLNAF-OCCSQVGLSA-N 349.217 3.668 0 1 EHAF COc1ccc([C@@H]2C[C@H](c3ccc(OC)c(O)c3)OC[C@H]2OC)cc1 238758265 KAETWBBZOZEGPL-PWIZWCRZSA-N 344.407 3.670 0 1 EHAF NC(=O)c1cccc(NCc2cc(-c3ccc(Cl)cc3)on2)c1 473122400 RUTWXYLTTQTZFD-UHFFFAOYSA-N 327.771 3.706 0 1 EHAF CCCC(Br)(CCC)c1nc2c(O)nc(S)nc2[nH]1 586970490 FQYBFBPNYUCYNO-UHFFFAOYSA-N 345.266 3.538 0 1 EHAF COC(=O)C[C@@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587105941 HKZIAXWVEXIXDN-LBPRGKRZSA-N 343.382 3.724 0 1 EHAF Cc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2n1 587120942 KDTHAXCULJADJQ-UHFFFAOYSA-N 335.211 3.694 0 1 EHAF COC(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 587138280 FJXNTIUPHMHMJA-UHFFFAOYSA-N 334.297 3.552 0 1 EHAF Fc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)OCCCO4)O2 587173598 GBKKNYWYPYTIQP-KRWDZBQOSA-N 326.327 3.540 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCCOCC2)[C@H]1c1ccc(F)cc1 587355157 CMFDZAMKAQERIB-ICSRJNTNSA-N 342.366 3.830 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc4c1OCC4)[C@@H](C2)C3=O 587420231 HUARXHYTISGGIW-ORAYPTAESA-N 342.778 3.772 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn(CC)nc1C)CC2=O 587475343 MMKZZWONNFCRBB-LJQANCHMSA-N 328.412 3.750 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](CC(=O)OC)[C@H]1C)CC2=O 587478283 ISGJIUOAIOISDI-MTJIALIYSA-N 346.423 3.658 0 1 EHAF C[C@]1(c2ccc(NC(=N)N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587509682 DUGNXVSATNSBIJ-OAQYLSRUSA-N 349.434 3.751 0 1 EHAF CCOC(=O)[C@@H]1[C@H](C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587520996 CBYQBCXTNIKCKD-MPKWNAGQSA-N 342.435 3.879 0 1 EHAF Cc1ccc2c(n1)NCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521165 AREAFVQIKNXTFV-NRFANRHFSA-N 334.419 3.945 0 1 EHAF Cc1sc(=N)[nH]c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587533999 ACFKRDPHEIVRKF-SFHVURJKSA-N 328.437 3.623 0 1 EHAF CCC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812130 IIRRFOKAFHXTJM-BJOHPYRUSA-N 328.225 3.707 0 1 EHAF CC(=O)C[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815056 KAOUBMTWSLMBTE-JDNHERCYSA-N 340.236 3.707 0 1 EHAF COc1ccccc1NCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874266 ZSSUMWPGHUBQDB-UHFFFAOYSA-N 339.326 3.556 0 1 EHAF Cc1c(F)ccc2c1[C@]1(CCCc3cc(C(=O)O)ccc31)NCC2 962297743 KXAMPVGBYVOJFS-HXUWFJFHSA-N 325.383 3.558 0 1 EHAF Cc1ncsc1[C@@]1(C)c2cccc(Br)c2CCN1C 963288439 BBDCFBLMMYYJNV-OAHLLOKOSA-N 337.286 3.965 0 1 EHAF CCCCNc1nc(N)nc(C)c1CCCN1Cc2ccccc2C1 1772644304 IVMNOKMUWPUSRR-UHFFFAOYSA-N 339.487 3.528 0 1 EHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)[C@H](O)C[C@]2(C)C(C)=C[C@H](O)C[C@H]21 2356456068 QKDIWLCDONOATB-UELOQWINSA-N 336.472 3.538 0 1 EHAF CC(C)=CCCC(C)=CCC[C@@H]1[C@H](O)O[C@@H]2O[C@H](O)[C@@H]3CC[C@H]1[C@@H]23 2356484713 FGMCHIORPBCHGW-RCGQGYBOSA-N 336.472 3.741 0 1 EHAF CC(=O)CC[C@H](C=C[C@@](C)(O)CC=C[C@@]1(C)CCC(=O)O1)C(C)C 2356571285 NONYMPHQXUGMIU-HOJAQTOUSA-N 336.472 3.977 0 1 EHAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](CC[C@H](C)C(=O)CC1)[C@@H](C)C(=O)O2 2356793289 HDOYVDPCFMGFJE-QQRQNBNMSA-N 336.472 3.811 0 1 EHAF O=C(NCCCc1ccccc1)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2 263590767 PEKYICJRHKGXDZ-IYWMVGAKSA-N 342.483 3.608 0 3 EHAF COC(=O)C1=CN(Cc2ccccc2)C=C[C@H]1c1ccccc1OC 103081173 CMZIBTZSUHYDQF-KRWDZBQOSA-N 335.403 3.865 0 1 EHAF Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NC1CCCCC1 8600195 UBSAPPJHSXLYIG-UHFFFAOYSA-N 348.468 3.878 0 1 EHAF aggregator CCCCN(c1sc2ccccc2c1[C@@H](C)O)S(=O)(=O)CC 115232067 BCBUUPCUUSMGSU-GFCCVEGCSA-N 341.498 3.911 0 1 EHAF C[C@H]1CCc2c1nn(C)c2C(=O)NCc1ccc(C(C)(C)C)cc1 103183785 BQEMKYJJYVNLQD-ZDUSSCGKSA-N 325.456 3.697 0 1 EHAF O=C(O)CN(C(=O)c1cc(Cl)cc(Cl)c1S)C1CCCC1 26988816 WUOIOJVZFNVEAT-UHFFFAOYSA-N 348.251 3.752 0 1 EHAF CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 22937735 BOFPIRRSGDHUCZ-UYAOXDASSA-N 328.406 3.789 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1C[C@@H]1C(=O)C[C@@]3(C(C)C)CC[C@@]12O3 2356507015 OEGVTAZVZYUFGW-REGGBKMVSA-N 348.483 3.909 0 1 EHAF CSc1ccc(C(=O)c2cc(Cl)cc(CC(=O)O)c2N)cc1 28770799 SOVJXDNFKOBZQF-UHFFFAOYSA-N 335.812 3.502 0 1 EHAF C[C@@H](O)c1onc(-c2cccs2)c1C(=O)N(C)Cc1ccccc1 2356539419 NTQWJNQJKKGOAQ-GFCCVEGCSA-N 342.420 3.729 0 1 EHAF c1ccc(CSc2ncnc3c2cnn3Cc2cccnc2)cc1 28894594 DDJYJNSEQQZHLS-UHFFFAOYSA-N 333.420 3.562 0 1 EHAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 2356810894 BCLMPJIZRTZMRI-ZCNNSNEGSA-N 329.484 3.882 0 1 EHAF Oc1ccc2c(c1)[C@]13CCN(CCc4ccccc4)[C@H](CC[C@H]1O2)C3 72177321 NEVNFUOTQDJGBE-ZPMCFJSWSA-N 335.447 3.892 0 1 EHAF C=CC1=C([C@H](C)c2cccc3c2COC3=O)[C@@H](c2ccoc2)OC1=O 14690292 SOQMKYUDTQPTRT-ADLMAVQZSA-N 336.343 3.834 0 1 EHAF biogenic COc1cc2occc2c2c1[C@@H](O)C[C@@](OC)(c1ccccc1)O2 13460316 JJNUOQQTGRIGHV-LIRRHRJNSA-N 326.348 3.757 0 1 EHAF biogenic C[C@H](CCO)CC[C@@H]1[C@@](C)(O)CC[C@@H]2[C@@](C)(CO)CCC[C@@]12C 238781286 UZGDKJBLEYPIOA-HUTLCRKWSA-N 326.521 3.751 0 1 EHAF CNC(=O)C(C)(C)[C@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1 95558403 XXWMAMCGORMRNI-IBGZPJMESA-N 348.450 3.988 0 1 EHAF Cc1nscc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619464 SZMDCJQKOCYFJJ-MAUKXSAKSA-N 339.372 3.860 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](C(=O)c1cc(F)ccc1F)CC2=O 587468974 ZGMGPJUHZCOFPF-QGZVFWFLSA-N 346.329 3.840 0 1 EHAF O=C(O)CC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587529593 PWWJDGLRFBFEMX-UHFFFAOYSA-N 328.408 3.934 0 1 EHAF CCc1cccc2c1OCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449584 CJRRVCYODUKCOT-IERDGZPVSA-N 336.387 3.683 0 1 EHAF C=Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587582982 SHPPGKXDCBGAFG-XLIONFOSSA-N 348.358 3.701 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCSC2)N1 587854565 CWYIVELBTYXNAX-PJCOJXEDSA-N 330.266 3.917 0 1 EHAF Cc1cc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c(C)n1 587119434 CPZHFPBYGYNRON-UHFFFAOYSA-N 349.360 3.717 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc4cccc(OC)c4n1C)[C@@H](C2)C3=O 587429884 DLXPRMPUNYQQGJ-LHSJRXKWSA-N 349.386 3.684 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CO)(c1cc(C)ccc1C)CC2=O 587488479 JOALNTCPFIKUBG-OAQYLSRUSA-N 340.419 3.815 0 1 EHAF CC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCOCC1 587610711 QJDJNVVNMGGYNI-QFBILLFUSA-N 340.375 3.539 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3nc(Cl)sc3C1)O2 587413572 HLGJJMPJFTWVJR-INIZCTEOSA-N 334.828 3.580 0 1 EHAF Nc1ncnc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 587063111 PAQSIMXSNPYADA-UHFFFAOYSA-N 335.798 3.846 0 1 EHAF Nc1c(CCC(=O)O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625870 ORVGCHNFRLACBY-UHFFFAOYSA-N 340.223 3.805 0 1 EHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](C2=C(Cl)c3ccccc3C2)N1 962899022 GTSHHQVNHGPSOG-WMZOPIPTSA-N 343.785 3.672 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccn1)[C@@H]1CCNC1 963237689 YUQDCKQCBRPDGT-SFGWALBWSA-N 335.495 3.591 0 1 EHAF COc1ccc(NC(=O)c2cccc(Oc3cc(CN)ccn3)c2)cc1 1772624984 KKSAXTCEFKJMEZ-UHFFFAOYSA-N 349.390 3.594 0 1 EHAF CCCCCOC[C@H](CO[P@](=O)(O)OC)OCCCCC 13760005 FAPLIUDWFWTHIL-CQSZACIVSA-N 326.370 3.532 0 1 EHAF CC[C@]12CCCN(CCc3c([nH]c4ccccc34)[C@@H](C(=O)OC)C1)C2 14829289 JFLTVMWSBAMWAW-UWJYYQICSA-N 340.467 3.863 0 1 EHAF C/C=C(\C)C(=O)O[C@H]1C[C@@]2(C)CC[C@H](C(C)C)[C@@]2(O)CC[C@@]1(C)O 5480236 SARMJLPHTLNPQI-BBROINOVSA-N 338.488 3.603 0 1 EHAF O=C(N[C@H]1CCCO[C@@H](c2ccc(Cl)cc2)OC1)c1ccccc1 28826749 KLIZWJJGAVGMNY-PKOBYXMFSA-N 345.826 3.964 0 1 EHAF C[C@H](CCO)CC[C@@H]1C(C(=O)O)=CC[C@H]2C(C)(C)[C@H](O)CC[C@@]12C 34579783 XEDCLIOKVSOTJJ-IQMMLEMLSA-N 338.488 3.619 0 1 EHAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)O)CC[C@H]4[C@H]3CC[C@@H]12 34801234 SMKOQYDIZVBLMS-IZMABDFUSA-N 333.472 3.551 0 1 EHAF Cc1nc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C4(C)C)c2)n[nH]1 73196563 UCBNDXRILWMIMP-UHFFFAOYSA-N 332.407 3.985 0 1 EHAF c1cc(N2CCC(N3CCCC3)CC2)ccc1CCCN1CCCC1 103298421 FWDODVLDFMFFSW-UHFFFAOYSA-N 341.543 3.780 0 1 EHAF Nc1nnc(-c2ccc3[nH]cc(-c4ccc5nccnc5c4)c3c2)s1 204781022 XJKLJBWCTWFTPQ-UHFFFAOYSA-N 344.403 3.879 0 1 EHAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C=C2OC(=O)CCCC=CC[C@@H]21 253663287 HAFYDMYOJDWJFN-DOAZCFDASA-N 332.440 3.856 0 1 EHAF CC(C)CC(=O)NC[C@H]1CC[C@H]([C@@H](c2ccccn2)N(C)C)CC1 257367457 XXXXXRSURBEUEF-ZWOKBUDYSA-N 331.504 3.653 0 1 EHAF Cc1cnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 587006454 NWIHIJFBVDHVKK-UHFFFAOYSA-N 327.185 3.949 0 1 EHAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccccc2[nH]1 587042845 NIFLJKOWPSJHCJ-CQSZACIVSA-N 329.812 3.872 0 1 EHAF COc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1C 587043915 OXFXTLGCOOWBND-UHFFFAOYSA-N 325.393 3.591 0 1 EHAF C[C@H](c1nc2cc(Br)c(F)cc2[nH]1)n1cc(Cl)cn1 587080696 XOBSTIOUQYIVAD-ZCFIWIBFSA-N 343.587 3.924 0 1 EHAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Br)cnc2[nH]1 587164417 VDLFCMRHFFPBDM-ZDUSSCGKSA-N 349.207 3.511 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC4CC4)cc1)[C@@H](C2)C3=O 587442817 MDSKVGAKGJNFEC-UWJYYQICSA-N 336.387 3.973 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1OCCO3)CC2=O 587485586 IVWXFSDWJPTGCV-GOSISDBHSA-N 340.375 3.822 0 1 EHAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 587934002 DQNIFIAMOKPHCB-HXUWFJFHSA-N 348.406 3.868 0 1 EHAF O=C1Nc2cc(F)ccc2[C@]12NCCc1cc(-c3ccccc3)ccc12 962672080 VQUSGGFLMZRIDX-QFIPXVFZSA-N 344.389 3.834 0 1 EHAF CN(Cc1c[nH]nc1-c1cc2ccccc2o1)CC1CCOCC1 12434124 RUGCDUOLGBBZBT-UHFFFAOYSA-N 325.412 3.681 0 3 EHAF COc1ccc([C@@]2(C)ON(c3ccccc3C(F)(F)F)C2=O)cc1 36387703 ZXEBJOBPDCFZOQ-MRXNPFEDSA-N 337.297 3.908 0 3 EHAF Cc1ccc([C@H](C)N(CCCCN)Cc2nc3ccccc3[nH]2)nc1 66076149 KGGFZZBLEQCXHG-INIZCTEOSA-N 337.471 3.568 0 1 EHAF O=C(O)COc1ccc2c(-c3ccc(F)cc3F)noc2c1Cl 27438286 RRYIVQMASQDBBH-UHFFFAOYSA-N 339.681 3.890 0 1 EHAF CSc1nc2nc(C(=O)c3ccccc3)cn2c2c1CC[C@@H](C)C2 28229677 ZHMYZKAJPBSRTE-GFCCVEGCSA-N 337.448 3.807 0 1 EHAF Cc1nccn1CC[C@@](C(N)=O)(c1ccccc1)C1CCCCC1 26260515 ISWILNCXMZCXAE-HXUWFJFHSA-N 325.456 3.585 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC(C)=CCCC(C)=C[C@H](O)[C@@H]1[C@@H](C)CO 2356610425 ZZBPVABDPAAVGR-OKYOBFRVSA-N 336.472 3.546 0 1 EHAF COc1ccc(Cc2nc3c(Br)cccc3[nH]2)cc1OC 313772368 OITBRYPATBCVPN-UHFFFAOYSA-N 347.212 3.933 0 1 EHAF CNc1nc(NCC2CCCCC2)nc2cc(OC)c(OC)cc12 82131940 AVVMJWZKZVNFBD-UHFFFAOYSA-N 330.432 3.681 0 1 EHAF CC1=CC=C[C@@H](N2CCN(C(=O)Nc3cccc(C)c3)C[C@H]2C)C1 40394194 FHPMCTWHYXFYGV-IEBWSBKVSA-N 325.456 3.808 0 1 EHAF Cc1ccc(Nc2c(Cl)ccc(C(=O)O)c2F)c(CC(=O)O)c1 95618647 DAMRUBXLPVLGQF-UHFFFAOYSA-N 337.734 3.856 0 1 EHAF world CC1(C)C(=O)C=C[C@@]2(C)[C@H]1C[C@@H](O)[C@]1(C)[C@@H]2CC[C@]23C[C@@]21CCC3=O 36433886 XWDCWGUIUXQKTB-OTKSRTPSSA-N 342.479 3.694 0 1 EHAF biogenic c1cncc(C2=NOC3(CCN(Cc4c[nH]c5ccccc45)CC3)C2)c1 299850267 VWCQSHHSXONTKH-UHFFFAOYSA-N 346.434 3.722 0 1 EHAF FC(F)c1c(-c2nc3cc4ccccc4cc3[nH]2)cnc2ncnn12 587127916 CWCFPYLDBKFJCU-UHFFFAOYSA-N 336.305 3.758 0 1 EHAF COc1ccc(N2C[C@@H](C(=O)c3coc4ccccc34)CC2=O)cc1 587281116 WPJVRBBJQUAFLH-ZDUSSCGKSA-N 335.359 3.677 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1-n1ccnc1)O2 587389003 CUKJQADQADZZKQ-HXUWFJFHSA-N 333.391 3.644 0 1 EHAF COc1cc(C)c(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587399015 HVBLOBOZEGPQGJ-MRXNPFEDSA-N 327.380 3.615 0 1 EHAF COC(=O)c1cc2[nH]c(-c3ccc4ccccc4c3N)nc2cc1OC 587253100 ALMVODOBIVQJHD-UHFFFAOYSA-N 347.374 3.761 0 1 EHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(F)cc(F)c2[nH]1 586963086 JTZBVEUPLYNGAS-NSHDSACASA-N 336.367 3.889 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCCOc4cc(C)ccc41)[C@@H](C2)C3=O 587454933 ZNNQFCGZUWFVOC-KKSFZXQISA-N 336.387 3.819 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H]2CCCO2)N1 587836252 ZDYIJLXJWPCFSQ-XAGWURHQSA-N 342.252 3.907 0 1 EHAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(Br)o3)nc2c1 587006072 BPBZHHXGICMWJT-UHFFFAOYSA-N 349.184 3.691 0 1 EHAF CCc1cccnc1[C@]1(C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962619985 HYNRPMJKARPTDM-SZNDQCEHSA-N 340.467 3.801 0 1 EHAF O=c1c(Nc2ccc(F)c(F)c2)nccn1-c1ccc(Cl)cc1 13362870 JQMUITLGRIMSLG-UHFFFAOYSA-N 333.725 3.908 0 1 EHAF COc1cc(CNC(=S)N/C=C\c2ccc(Cl)cc2)ccc1O 13604988 QEXGENGEJFFRFX-HJWRWDBZSA-N 348.855 3.689 0 1 EHAF Cc1nnc(CN(C)Cc2nc(-c3ccccc3Cl)oc2C)o1 14962789 FYIQGHICUMINJW-UHFFFAOYSA-N 332.791 3.627 0 1 EHAF C[C@H]1C[C@H](C)CN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 6139292 FTOFNKAAGDMWQK-GJZGRUSLSA-N 348.450 3.804 0 1 EHAF COc1ccccc1OCCCc1c(O)c2ccccc2oc1=O 100361735 OSAWRYZTKWWVLR-UHFFFAOYSA-N 326.348 3.519 0 1 EHAF CCc1ccsc1-c1cnc(N)c(C2CCC(C(=O)O)CC2)n1 58639108 QTTNDIPJKXHHFL-UHFFFAOYSA-N 331.441 3.708 0 1 EHAF in-vitro CN1C[C@H]2CC[C@@H](OCc3ccccc3)[C@@H]1CN2Cc1ccccc1 28712977 JJHDWXSGTNAYDL-BHIFYINESA-N 336.479 3.550 0 1 EHAF CN[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 102790392 OHAWOWDKOKNZTD-JOCHJYFZSA-N 337.832 3.842 0 1 EHAF CC(C)[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5ccc(O)cc45)C(=O)C1)[C@H]32 27883394 UZNYKCBLAQNDBV-PHVMSGICSA-N 338.451 3.800 0 1 EHAF CC(C)=CCc1cccc(C(=O)Oc2c(O)cc(C)cc2CO)c1O 2356561377 AUSCIPIKWIHZBB-UHFFFAOYSA-N 342.391 3.626 0 1 EHAF COC(=O)C1=CCC[C@@H]2[C@](C)(CCC3=CCOC3)[C@H](C)C[C@@H](O)[C@@]12C 2356746067 RMDVTBQPOFJSNM-BUQAOYBGSA-N 348.483 3.646 0 1 EHAF COc1cc(CCC(=O)O)ccc1Oc1ccc(CCC(=O)O)cc1 14620417 SLWZVKXLJQIUKB-UHFFFAOYSA-N 344.363 3.522 0 1 EHAF biogenic C[C@H](C(=O)O)c1ccc(C[C@H]2CCC[C@H]2O)cc1-c1ccc(O)cc1 72106784 OVRYSRXEAMSVQR-GQWAEJPESA-N 340.419 3.951 0 1 EHAF O=C(Nc1ccc(F)cc1)c1csc([C@@H](O)Cc2ccccc2)n1 82083636 XGSFANKWCPMDSD-INIZCTEOSA-N 342.395 3.811 0 3 EHAF CCn1nc(-c2ccnc(Nc3cccc(O)c3)n2)c2ccccc21 84742120 XWZMZPFBKSBOTF-UHFFFAOYSA-N 331.379 3.962 0 1 EHAF O=C(NCC1CCNCC1)c1cccc(F)c1-c1cccc(Cl)c1 49034069 ZJDOYJCSRHXEEW-UHFFFAOYSA-N 346.833 3.876 0 1 EHAF CO[C@H]1OC(c2ccccc2)=C(c2cnc(N)nc2)c2ccc(F)cc21 96020777 WNJANSDZCUSUET-IBGZPJMESA-N 349.365 3.790 0 3 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 238747121 DOPNAZPVNCZMLH-WFIZBNAKSA-N 334.500 3.566 0 1 EHAF CC(C)(C)n1nnc2c1CC[C@@H](c1nc(C3CCCCC3)no1)C2 653751562 WWNTZZFTQLZTTN-CYBMUJFWSA-N 329.448 3.736 0 1 EHAF N=c1[nH]c(-c2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)cs1 587020794 FLMIDNIEDXARNB-UHFFFAOYSA-N 332.392 3.642 0 1 EHAF O=C1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]2C1 586991244 RXRMJXFNPPTFRC-HZMBPMFUSA-N 341.366 3.771 0 1 EHAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccnc(Br)c2[nH]1 587168820 NPFALVXMVFZXHM-MRVPVSSYSA-N 336.164 4.000 0 1 EHAF CC(=O)Sc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587408802 DMFAIOZMAOCJLA-KRWDZBQOSA-N 327.405 3.922 0 1 EHAF C[C@H](O)c1ncc(-c2nc3ccc(F)c(Br)c3[nH]2)s1 587021290 GYNZGLKCFQKIHF-YFKPBYRVSA-N 342.193 3.641 0 1 EHAF CN(C)C(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587150331 CHDBGUKGLCFHGS-OLZOCXBDSA-N 341.361 3.814 0 1 EHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(C)c(OC)cc3[nH]2)cc1 587785385 NYWVHRHMLPQGDE-GJZGRUSLSA-N 336.391 3.823 0 1 EHAF O=Cc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601802 HTMDQHOIEOOUNG-GHTZIAJQSA-N 346.338 3.908 0 1 EHAF OCCc1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 587161008 JFEQREAFPSSYSV-UHFFFAOYSA-N 335.176 3.666 0 1 EHAF CCc1cccc2c1OCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449588 CJRRVCYODUKCOT-IIBYNOLFSA-N 336.387 3.683 0 1 EHAF CC(C)Oc1cc2nc(-c3cncc(N)c3)[nH]c2cc1Br 587254078 KZYDCUFXHWMCPZ-UHFFFAOYSA-N 347.216 3.757 0 1 EHAF CCOC(=O)[C@]1(c2ccc(CC)cc2)NCCc2ccc(F)c(C)c21 962148660 SQLKXCYTDYVEPL-OAQYLSRUSA-N 341.426 3.649 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@]31CCc2ccc(F)cc2C1 963047373 ONTAAVSPTJTEMU-QFIPXVFZSA-N 348.421 3.912 0 1 EHAF CCCc1c[nH]c([C@@H]2Cc3ccccc3N2C(=O)c2ccccc2N)n1 13588012 HWYGMBDTAYATLK-IBGZPJMESA-N 346.434 3.889 0 1 EHAF O=C(NCCc1ccccc1Cl)c1ncc(-c2ccccc2)o1 1857564034 KTEXOTSLQZSLHE-UHFFFAOYSA-N 326.783 3.968 0 1 EHAF CC[C@H](C)C(=Cc1coc2nc(=N)[nH]c(N)c12)c1ccccc1OC 1857621634 GGNUJBNONVTLHE-NSHDSACASA-N 338.411 3.813 0 1 EHAF CCOc1cc2c(cc1O)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 5541811 CBJHVMQFLMDNFG-XRTCRYGSSA-N 330.424 3.648 0 1 EHAF CC1=C2CC[C@H](C)[C@@H]3CC[C@](C)(O)[C@H](CC/C(C)=C/[C@@H]2OC1=O)O3 101630901 UIXXPUQGCNBHRT-VMXWDQETSA-N 334.456 3.683 0 1 EHAF CC[C@@H](C)Sc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1 104088399 VMYMQMWXPICLPR-GFCCVEGCSA-N 328.441 3.568 0 3 EHAF COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26391848 IVJOAORQVUYFDW-DXVUAXGJSA-N 347.499 3.639 0 1 EHAF COc1cc(C=CC(=O)O)ccc1Oc1ccc(C=CC(=O)O)cc1 2356427740 LIDBMKQHEFEVDP-UHFFFAOYSA-N 340.331 3.683 0 1 EHAF C[C@]1(C(=O)O)CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 61895871 ARMUJRANUXUGPD-SFHVURJKSA-N 349.858 3.865 0 3 EHAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCOc2ncsc21 220850596 IPHHRDGKSAMNQS-SNVBAGLBSA-N 343.235 3.632 0 1 EHAF CCn1ncc2c(Cl)c(C(=O)NCc3ccc(Cl)cc3)cnc21 49067122 VVVTVUWZXUCKPC-UHFFFAOYSA-N 349.221 3.688 0 1 EHAF CC[C@H](c1ccc(O)c(CO)c1)[C@H](CC)c1ccc(O)c(CO)c1 40466013 SEDSWSMQSLWPEX-QZTJIDSGSA-N 330.424 3.770 0 1 EHAF CCNC(=O)Nc1nc2ccc(-c3ccncc3OC)cc2s1 95603928 GSWKIUPSAIYBOM-UHFFFAOYSA-N 328.397 3.508 0 1 EHAF Cc1c(C(=O)Nc2ccnc(Cl)c2)nn(C)c1-c1ccc(F)cc1 95603962 HHQNDKZHVIQITA-UHFFFAOYSA-N 344.777 3.835 0 1 EHAF Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4nnc(C)n4C=N[C@@H]32)cc1 98085183 VYPIWPLPCKAJIY-VQTJNVASSA-N 341.418 3.756 0 1 EHAF O=C(CCCCN1CCCCC1)Nc1cc(-c2ccccc2)[nH]n1 299864685 RVSCCPPOAMFEOB-UHFFFAOYSA-N 326.444 3.671 0 1 EHAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sn1 587854066 BJKJOENPEQYBKF-JKYUHCHBSA-N 341.249 3.977 0 1 EHAF O=C1c2ccccc2-c2cc(C[C@H]3CCOC3)nc3ccc(O)c1c23 586991485 OBEWCYPRMCEWLB-GFCCVEGCSA-N 331.371 3.731 0 1 EHAF OCc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017702 PACIUWCPUMWLOT-UHFFFAOYSA-N 349.415 3.781 0 1 EHAF CC(C)CC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602112 WFBFRVDBVKTTCB-XLIONFOSSA-N 340.375 3.728 0 1 EHAF Cn1cc(-c2nc3c(Br)ccnc3[nH]2)c(C(F)(F)F)c1 587113259 UVGZGKMURFWDLK-UHFFFAOYSA-N 345.122 3.745 0 1 EHAF Cc1c(Cl)ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c12 587228583 ORZIEFUKFZAAQK-UHFFFAOYSA-N 343.814 3.994 0 1 EHAF Cc1ccccc1C(=O)c1cccn1CC(=O)N1C[C@H](C)C[C@@H](C)C1 5143392 ZKLXFARKOIJDNW-HZPDHXFCSA-N 338.451 3.532 0 1 EHAF COc1ccc2oc(Cc3cccc(F)c3)c(CCNC(C)=O)c2c1 13474342 XPHWKBYACZVHCL-UHFFFAOYSA-N 341.382 3.850 0 1 EHAF CCOC(=O)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21 13608382 JQRSURYDJXDMLC-NSHDSACASA-N 328.206 3.797 0 1 EHAF CC(=O)N1CCC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13812896 PAPPHBRFOXAGKW-SVMVYQPLSA-N 333.516 3.991 0 1 EHAF COc1cc2c(c(OC)c1OC)CC[C@](OC)(c1ccccc1)O2 200009226 VJRBPZHNRLEEOC-LJQANCHMSA-N 330.380 3.537 0 1 EHAF Cc1ncc2cc(-c3c(Cl)cccc3Br)c(N)nc2n1 27299696 PGKBSDCDJXHQHU-UHFFFAOYSA-N 349.619 3.998 0 1 EHAF Nc1nc(N)c2c(Sc3ccc(Br)cc3)cccc2n1 5974267 VDGOQYRSERCBNW-UHFFFAOYSA-N 347.241 3.708 0 1 EHAF CCCO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O 13641938 CTLQFYUFHCJUKV-OAHLLOKOSA-N 338.816 3.683 0 1 EHAF COc1ccc([C@H](C(=O)NC2CCCC2)N2CCC[C@@H](C)C2)cc1 20108386 ZZHFTMFQSLAOAG-DNVCBOLYSA-N 330.472 3.527 0 1 EHAF Cc1ccc2cc(C(C)C)c(=O)oc(=O)c2c1CCC(=O)C(C)C 26661662 ATCZEOCXJCHNDQ-UHFFFAOYSA-N 328.408 3.743 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccco3)cc2)C[C@@H]2CC[C@H]1N2C 28565871 JHSDPTHVDPIYLW-FAJBIJEISA-N 325.408 3.686 0 1 EHAF O=C(CCCC1CCN(C(=O)Cc2ccccc2)CC1)c1ncco1 29126386 VQGPWHQAPNTGCD-UHFFFAOYSA-N 340.423 3.509 0 1 EHAF Cc1cc(O[C@H](C)C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)ccc1Cl 29414243 ICKBYTJVAIXITK-GODZRQRCSA-N 337.847 3.584 0 1 EHAF COC(=O)[C@@H]1[C@H](c2ccc(-c3nccs3)cc2)C[C@@H]2CC[C@H]1N2C 34334422 XUJAZHYZOMZFOS-MWDXBVQZSA-N 342.464 3.549 0 1 EHAF COc1ccc([C@H]2Oc3ccc(C)cc3C[C@@H]2OC(C)=O)cc1OC 45349175 MBCLXHCYRIDILA-VQTJNVASSA-N 342.391 3.620 0 1 EHAF Cc1ccc(Oc2ccc(C[C@H]3SC(=O)NC3=O)cc2)c(C)c1 45357114 ZLIRARCVHMGDHN-MRXNPFEDSA-N 327.405 3.990 0 1 EHAF O=[P@@]1(O)OC(c2ccccc2)=C(Br)c2ccccc21 49054870 BTIXAINVBOEUPM-UHFFFAOYSA-N 337.109 3.748 0 1 EHAF CS(=O)(=O)c1ccc(-c2cncn2-c2cccc(Cl)c2)cc1 53297680 OFWWYAFRQITXKN-UHFFFAOYSA-N 332.812 3.596 0 1 EHAF COc1ccc(NC(=O)C(=O)c2c[nH]c3c(Cl)cccc23)cc1 73053698 CGEDTWXKKDUWMN-UHFFFAOYSA-N 328.755 3.651 0 1 EHAF COc1cc2c(cc1OCCCCCN1CCCCC1)C(=O)CC2 84690667 JJWSATBBRAKOQA-UHFFFAOYSA-N 331.456 3.859 0 1 EHAF Cc1ccccc1-c1cc(=O)n(C[C@H]2CCCNC2)c2ccccc12 95588482 BELSRMINJKGCEV-KRWDZBQOSA-N 332.447 3.977 0 1 EHAF CCC[C@@H]1C[C@@H]2[C@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1N2C 103253932 NYHLSJFRSGAHTE-UJMXGEILSA-N 329.484 3.917 0 1 EHAF O=C(Nc1cccc2c1C[C@H](O)C2)N[C@@H]1CC[C@H](c2ccccc2)C1 169704850 YZQTXNNYKDDAPW-CGTJXYLNSA-N 336.435 3.604 0 1 EHAF C[C@H](NC[C@@H](O)COc1ccccc1)[C@H](C)Sc1ccccc1 299849194 WOPAACGUGOUTPK-YESZJQIVSA-N 331.481 3.585 0 1 EHAF Fc1cc2c(cc1-c1cccnc1)CCc1nnc(-c3ccncc3)n1-2 299861917 MDQJCNKGZCAMKN-UHFFFAOYSA-N 343.365 3.629 0 1 EHAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 586888305 JQNNUYHRKHNVGU-BUXKBTBVSA-N 335.407 3.593 0 1 EHAF FC(F)(F)c1ncc2nc([C@@H]3SCCc4sccc43)nc-2[nH]1 587037346 UEJNKHHLWIHXAU-SECBINFHSA-N 342.371 3.764 0 1 EHAF Cc1ccc2c3c(c4c(nc13)C=C(C(=O)O)C4)-c1ccccc1C2=O 587102317 VMVDTTDEVUHJCQ-UHFFFAOYSA-N 327.339 3.779 0 1 EHAF COc1ccc2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 587394816 JXSIPMKRIWNUPJ-LJQANCHMSA-N 334.375 3.841 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)n(C)n1)[C@@H](C2)C3=O 587433606 ZLWWSBPXLHSFSP-BTYIYWSLSA-N 346.386 3.584 0 1 EHAF COc1cc2c3c(c1)O[C@]1(C[C@@H](OCC(C)C)C1(C)C)[C@@H](C2)C3=O 587442762 NNCOQTMNFCZVDR-YYFZDKIDSA-N 330.424 3.653 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1N1CCCC1)[C@@H](C2)C3=O 587444424 OPVYPCJWSSBKFT-KKSFZXQISA-N 335.403 3.784 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)nc(C)n1)CC2=O 587463047 VIPMCTYEPOVVRF-HNNXBMFYSA-N 332.787 3.803 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ccccn13)CC2=O 587487088 DCGYDRQITKAMEI-FQEVSTJZSA-N 336.391 3.873 0 1 EHAF COC(=O)c1c(-c2cncc(Br)c2)[nH]c2cc(F)ccc12 587632849 SIQQEJIWJCESSV-UHFFFAOYSA-N 349.159 3.918 0 1 EHAF CC(=O)CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813943 QWCXMAGALYIPPI-VFZGTOFNSA-N 328.225 3.707 0 1 EHAF COc1ccc(/C=C/Cc2nc3cc(Cl)ncc3[nH]2)c(OC)c1 587928636 GMOFCJNNASRINT-ONEGZZNKSA-N 329.787 3.884 0 1 EHAF COc1ccc(/C=C/Cc2nc3cc(Cl)cnc3[nH]2)c(OC)c1 587930739 UXPLRUYMOUJKGT-ONEGZZNKSA-N 329.787 3.884 0 1 EHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2ccccc2F)(C2CCC2)N1 962896068 IVGUDYDFPJDYOE-FXAWDEMLSA-N 343.373 3.607 0 1 EHAF CC[C@@]1([C@@H]2CCCNC2)c2ccsc2CCN1Cc1cccnc1 963006206 IJVUUFRPMPFTOB-YLJYHZDGSA-N 341.524 3.806 0 1 EHAF COC(=O)CC=C[C@H](C)[C@H](OC)c1ccccc1Br 1857622786 WPCOPGOEBYZGMO-NHYWBVRUSA-N 327.218 3.892 0 1 EHAF CCC(C)=CCCC[C@@H](C)CCO[P@](=O)(O)OP(=O)(O)O 2356319129 FFBTVOMODCZDNV-GFCCVEGCSA-N 344.281 3.766 0 1 EHAF O=C(CCCCCCCCc1ccccc1)[C@@H]1[C@@H](O)C=C(O)C[C@@H]1O 2356522649 OHWWYOHXWKGLHF-PCCBWWKXSA-N 346.467 3.713 0 1 EHAF CCOc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1CNCCO1 29048950 MYIGEQURFWGOFU-MOPGFXCFSA-N 347.842 3.847 0 1 EHAF in-vitro CCCc1cc(CCC)n2nc(SCc3ccncc3)nc2n1 27425019 SOKBPEKGMQCEPU-UHFFFAOYSA-N 327.457 3.717 0 1 EHAF CN(C)c1ccc(-c2cc3ncccc3c(NC(C)(C)CN)n2)cc1 40898612 OYBNLAZVXNJRBB-UHFFFAOYSA-N 335.455 3.512 0 1 EHAF CCN(C(=O)COc1ccc(C(C)C)cc1)c1ccc(OC)nc1 49072815 VOCDFHHFBZMKIX-UHFFFAOYSA-N 328.412 3.646 0 1 EHAF COc1c(O)c(C(C)C)c2oc(-c3ccc(O)cc3)cc(=O)c2c1O 85633040 YZXOGQNVFAWBQA-UHFFFAOYSA-N 342.347 3.709 0 1 EHAF biogenic,in-vitro C[C@@H](C(=O)N[C@@H]1COc2ncccc21)c1ccc(Cl)cc1Cl 146518099 WJPNUTYLRJIVMN-YMTOWFKASA-N 337.206 3.742 0 1 EHAF CCOC(=O)C(CC)(CC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401802 YPCVEBRCKQMDGI-SFHVURJKSA-N 333.428 3.671 0 1 EHAF Fc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F 587042995 XBMJPGZZSCARNL-JKSUJKDBSA-N 331.391 3.787 0 1 EHAF C[C@@H]1C[C@]2(CC[C@@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 587530900 WLIJOZSMVISGHD-TUXXCZFBSA-N 328.408 3.790 0 1 EHAF CC(=O)[C@H](N=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988995 VRXUJPJWUBJXTJ-SFHVURJKSA-N 332.315 3.548 0 1 EHAF N[C@H]1CC[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587246310 GBKIGEXKPAPGBZ-FSPLSTOPSA-N 334.139 3.549 0 1 EHAF CCn1c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 587390727 NMIQQQXLMRTDQL-FQEVSTJZSA-N 335.407 3.827 0 1 EHAF O=C(O)c1cccnc1SCc1nc2cc(Cl)cc(F)c2[nH]1 586967289 TUEKYDYOAGCTPL-UHFFFAOYSA-N 337.763 3.741 0 1 EHAF N=c1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c[nH]1 587064148 BXWYPBXFCRVJOL-UHFFFAOYSA-N 340.770 3.863 0 1 EHAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(F)cnc2[nH]1)C1CCCC1 587224984 JEOXIPIAVCJLJE-ZDUSSCGKSA-N 334.395 3.853 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)o1)[C@@H](C2)C3=O 587416700 CIDDHUPUJPVIBO-MGPLVRAMSA-N 349.180 3.714 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(F)c2)N1 587737720 GVFZVZSWSAALFB-ANRSDYALSA-N 339.183 3.746 0 1 EHAF FC(F)(F)c1cc(Br)c2[nH]c([C@@H]3CCOC3)nc2c1 586910974 DUSPNHOKDKBYOC-ZCFIWIBFSA-N 335.123 3.848 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H]2CCOC2)N1 587832839 DEGXZHLSLIRNMB-OHUAYANFSA-N 342.252 3.764 0 1 EHAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cccc(C(C)(C)C)c2[nH]1 586961372 HVTODXOBZHTHMH-SECBINFHSA-N 343.456 3.792 0 1 EHAF COc1cccc([C@@H](C)Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587931996 QRYMDLPQKSULAZ-LBPRGKRZSA-N 335.407 3.802 0 1 EHAF CNc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577743 LLZFDVVXHRAIOU-LPHOPBHVSA-N 348.358 3.532 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1(C(F)F)CC1 587557751 SRQHGZKNMIRGCJ-CZUORRHYSA-N 332.302 3.768 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCO[C@@H](C)C2)N1 587841708 NMZANRASDSYNPJ-AMJWSMQMSA-N 328.225 3.517 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCCc1sc(N)nc12 963233419 UCIKNQWDRPFSRK-BFUOFWGJSA-N 327.497 3.962 0 1 EHAF CC1(C)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 13374952 XIIINVJICGOJHC-OAHLLOKOSA-N 344.363 3.848 0 1 EHAF biogenic,in-vitro O=C(/C=C/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)cn1 169354018 HBHPCAZFYWWFST-ZPUQHVIOSA-N 328.755 3.672 0 1 EHAF COc1cccc([C@@H]2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1 584630298 XMMVGDBBDROGRJ-IBGZPJMESA-N 333.391 3.606 0 1 EHAF Cc1ccc2cc(CCNC(=O)CC3CCCCC3)c(=O)[nH]c2c1C 6309491 GKUHFZOJZBGBAP-UHFFFAOYSA-N 340.467 3.774 0 1 EHAF O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1cccs1 6543413 RTTPDLQQSHHVLM-UHFFFAOYSA-N 343.429 3.922 0 1 EHAF Oc1ccc(C2=c3ccc4n3[C@H](C=CC=4)[C@H]2CCc2ccccc2)cc1 26481793 JPTLGQQTIHMDCX-FGZHOGPDSA-N 339.438 3.547 0 1 EHAF CN(C(=O)[C@H]1Cc2c(sc3ccccc23)CN1)C1CCCCC1 27179859 GCQNUUXHRJUIAP-MRXNPFEDSA-N 328.481 3.707 0 1 EHAF CCCCCCOC(=O)C1=NO[C@@H](CCCC[C@H]2CCC(=O)O2)C1 40955286 RYUJHDWBLOLTGH-GJZGRUSLSA-N 339.432 3.521 0 1 EHAF COc1ccc2cc(C(=O)[C@H]3CN=C4C=CC=C(C)N4C3)ccc2c1 43018021 WUNJUTYIIGYMLB-SFHVURJKSA-N 332.403 3.835 0 1 EHAF Cc1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2c1 49088396 FGMMALRBLYFEOL-UHFFFAOYSA-N 334.347 3.561 0 1 EHAF O=C(c1cnn(-c2ccc(F)c(F)c2)c1)c1cc(Cl)ccc1O 58590900 LWSLSPNNIPMAFF-UHFFFAOYSA-N 334.709 3.741 0 1 EHAF O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2COC3)cc1 96923885 GPNXISRKJBWIQC-UHFFFAOYSA-N 347.374 3.545 0 1 EHAF COc1ccc(-c2cc(-c3ccc(-n4ccnc4)cc3)nc(N)n2)cc1 103181502 ZBTPLBYWNVMISC-UHFFFAOYSA-N 343.390 3.587 0 1 EHAF CC(C)[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1 148950939 NTOPUQMJNQWIBW-MSOLQXFVSA-N 339.391 3.530 0 1 EHAF COC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C2CCCCC2)n1 150152031 LELCIEQQGKKZQA-RDJZCZTQSA-N 344.455 3.591 0 1 EHAF Cc1cc2c(cc1C)N(C)c1cscc1C(N1CCN(C)CC1)=N2 169326375 NBTOZRMGNSMFPT-UHFFFAOYSA-N 340.496 3.772 0 1 EHAF COC(=O)c1ccc(Nc2cc(O)n(-c3ccccc3C)c2O)cc1 169686871 XQCGIHLRBVEWAH-UHFFFAOYSA-N 338.363 3.727 0 1 EHAF C/C=C(\C)C(=O)O[C@@]1(C)C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)C=CC=C(C)[C@H]21 238785009 VIAZXGSKYDTXOR-GJQFIMDESA-N 330.424 3.729 0 1 EHAF CC(C)(C)c1cccc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc12 586950993 OYRGTZZYZPEKGN-UHFFFAOYSA-N 343.452 3.899 0 1 EHAF Oc1nc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cs1 587016978 GTYDRCUHRJBADV-UHFFFAOYSA-N 335.694 3.944 0 1 EHAF Clc1c[nH]c2nc(-c3csc(-c4ncccc4Cl)n3)nc-2n1 587017917 SXFVSNQNIWQFFJ-UHFFFAOYSA-N 349.206 3.797 0 1 EHAF CN(C)C(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587037327 TXDBGPJUOKJILN-HNNXBMFYSA-N 343.477 3.705 0 1 EHAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccnc(Br)c2[nH]1 587163560 MMNMMEADRBZAAF-ZDUSSCGKSA-N 349.207 3.511 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)[nH]n1)[C@@H](C2)C3=O 587438888 IVUSZABNXNZYGQ-VBKZILBWSA-N 332.359 3.574 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C[C@H]1N=O 587470921 WXDGDUWXGIZBBP-UYAOXDASSA-N 337.375 3.897 0 1 EHAF CCCC[C@@]1(COC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 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3.868 0 1 EHAF O=C(Nc1ccccc1)N1CCN(Cc2ccc3c(c2)CCC3)CC1 139177783 SEJNHPYSVZDYJE-UHFFFAOYSA-N 335.451 3.525 0 1 EHAF CCCC1=N[C@@H](CC(N)=O)c2onc(C)c2-c2sc(C)c(C)c21 96284471 KPAWGWFSHZEMEO-LBPRGKRZSA-N 331.441 3.848 0 1 EHAF CC(C)C1=C[C@@H]2C(=O)C[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@@]2(O)CC1 238747484 ZPVSHWFBDPCXIO-TVFZMDHNSA-N 334.456 3.580 0 1 EHAF OC1CCC(NCc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccoc2)CC1 95920796 MQYHCTJCBXXBCX-UHFFFAOYSA-N 349.434 3.634 0 1 EHAF in-vitro COc1cc2c3c(c1)O[C@@H](c1cc4ccc(C)cc4nc1O)[C@@H](C2)C3=O 587435306 DKDOBUVQICYUEK-VBKZILBWSA-N 347.370 3.746 0 1 EHAF Cc1cc(OC(C)(C)C)n(-c2cnc(C)c(Br)n2)c1O 587940848 NJCJRKONTSCMAY-UHFFFAOYSA-N 340.221 3.530 0 1 EHAF COC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1-c1ccc(F)c(F)c1 587637850 PMOYFIAKNMGHTB-UHFFFAOYSA-N 345.301 3.527 0 1 EHAF CCc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587526977 SNORIBDESLAWOW-JOCHJYFZSA-N 347.414 3.941 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12Cc1ccccc12 587602241 GZVUMXPLUCMXKW-WIYYLYMNSA-N 330.339 3.805 0 1 EHAF Nc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C(F)(F)F)c1 587095927 ZLJMSNJXUPUBGZ-UHFFFAOYSA-N 347.222 3.591 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3O[C@@H]32)[C@H]1c1ccc(F)cc1 587360345 VBJITWCPJXIPCZ-LWCVALJOSA-N 340.350 3.580 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)C[C@H](C)N4C)[C@@H](C2)C3=O 587438348 OLLWJZGJVVMFOA-VQDICGIKSA-N 335.403 3.565 0 1 EHAF COc1ccc(Cl)cc1-c1nc2nc(O)nc(O)c2cc1C(C)C 587369037 RSMGBAMXUXUREJ-UHFFFAOYSA-N 345.786 3.888 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccn2)N1 587733611 RJPNSLQJQHJSHC-VXJOIVPMSA-N 339.183 3.746 0 1 EHAF Cc1cnn(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c1 587623169 MUTVXEGMHJZVDG-UHFFFAOYSA-N 330.189 3.609 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cccs1)O2 587411008 AJDLZZCBGMZWRX-HPFMTEOYSA-N 328.437 3.575 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc3cc(C)nn3c2)N1 962945669 JOYSDPFSYPAINV-IFXJQAMLSA-N 331.423 3.533 0 1 EHAF O=C1CCC2(CCC3(CC2)NCCc2cccc(-c4ccccc4)c23)N1 962664174 FXKWCLYNCSEOOZ-UHFFFAOYSA-N 346.474 3.917 0 1 EHAF O=C([C@H](O)c1cn(Cc2ccccc2)c2ccccc12)N1CCCCC1 5582243 JOBPVBRVGAXFPX-OAQYLSRUSA-N 348.446 3.736 0 1 EHAF O=C(c1cc2cc(O)ccc2[nH]1)N1CCC(Cc2ccccc2)CC1 13554237 PSSKCBVZPHCABL-UHFFFAOYSA-N 334.419 3.968 0 1 EHAF CC(C)(C)c1cc(/C=C2\OC(=S)NC2=O)cc(C(C)(C)C)c1O 13734149 YCDGZQICHRMMKB-LCYFTJDESA-N 333.453 3.759 0 1 EHAF CSc1ccc2ncnc(OCc3ccc4c(c3)OCO4)c2c1 13737685 XBZAWJVQORGHFE-UHFFFAOYSA-N 326.377 3.659 0 1 EHAF CCCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21 13824818 KWZZRQDEJAQJKD-UHFFFAOYSA-N 342.830 3.620 0 1 EHAF COc1cc(C[C@H](C)[C@H](C)C(=O)c2ccc3c(c2)OCO3)ccc1O 14646508 ZKPRUPNPBRCANP-STQMWFEESA-N 342.391 3.827 0 1 EHAF biogenic,in-vitro CN(C)CCc1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 169315790 KSCJAEFWSGPUHX-UHFFFAOYSA-N 349.471 3.694 0 1 EHAF CC(C)(C)Nc1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1 206084471 HMFFXQOXUNOHJJ-UHFFFAOYSA-N 334.423 3.726 0 1 EHAF CCN(CC)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 205428804 CZPMTQKYMJNOID-UHFFFAOYSA-N 339.370 3.980 0 1 EHAF 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Cc1nscc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619575 SZMDCJQKOCYFJJ-YJBOKZPZSA-N 339.372 3.860 0 1 EHAF O=C1O/C(=C/c2nc3cc(Cl)nc(Cl)c3[nH]2)c2ccccc21 586905844 DZPLXHUDPGWSFJ-UXBLZVDNSA-N 332.146 3.933 0 1 EHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cccc(C(=O)O)c3[nH]2)c1 587242338 SXPXRYFIECPFHB-UHFFFAOYSA-N 337.379 3.913 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1cnccc1C)O2 587394592 IDZWTOZONUOVJL-OAQYLSRUSA-N 345.402 3.585 0 1 EHAF Cc1ccc([C@@]2(c3occc3N)CC(=O)c3cc(C)cc(N)c3O2)cc1 587389537 LCJMPZJHQXEPLS-OAQYLSRUSA-N 348.402 3.970 0 1 EHAF Oc1cccc2c1OCC(c1nc3cc(F)c(-n4cccn4)cc3[nH]1)=C2 586909311 XCNIDZNSKMTHSX-UHFFFAOYSA-N 348.337 3.526 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCCO2)N1 587828877 AOZQEUGPQSMOSL-NKZPBKNFSA-N 328.225 3.733 0 1 EHAF COC(=O)[C@H]1Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587098855 VOJWIBAXYFQERV-AWEZNQCLSA-N 329.355 3.567 0 1 EHAF c1ccc(N=c2[nH][nH]c3c2-c2nc4cccc5c4c(c2CC3)CC5)cc1 587211644 IIIZPIIUPWNNRS-UHFFFAOYSA-N 338.414 3.988 0 1 EHAF CC/C=C1/Nc2ccccc2C(=O)N1CC(=O)c1ccc(OC)cc1 957725151 HMSBATCUSNJJOW-SWNXQHNESA-N 336.391 3.697 0 1 EHAF COc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cn1 1772606736 DNAPBTWUCAKMFW-UHFFFAOYSA-N 339.439 3.804 0 1 EHAF C1=C(c2cccs2)CC[C@@H](N2CCN(c3ccccn3)CC2)C1 13890950 CXONTQZSVJEICK-KRWDZBQOSA-N 325.481 3.901 0 1 EHAF in-vivo CN1C(=O)[C@@H](c2ccc(C#Cc3ccc(F)cc3)cn2)CCC1(C)C 204406499 FOSSAPOSUHCFIO-GOSISDBHSA-N 336.410 3.735 0 1 EHAF CN1CC=[N+](C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 1857582818 NLIKVGVFKKIVKF-UHFFFAOYSA-N 325.823 3.504 0 1 EHAF Cc1n[nH]c2nccc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12 1857628266 YLOORDZYGNCPIR-UHFFFAOYSA-N 335.411 3.997 0 1 EHAF CCc1nn(C2CCCC2)c2c1CCN(c1cccc(OC)c1)C2=O 19403 AUHPGOLYFSHALS-UHFFFAOYSA-N 339.439 3.772 0 1 EHAF CCOc1ccc2c(c1)sc(N)[n+]2Cc1cccc2cccnc12 3171973 KKQLAXCQMTYGCM-UHFFFAOYSA-O 336.440 3.766 0 3 EHAF Cc1ccc(CNC(=O)c2cccc(-n3cnc4cccnc43)c2)cc1 8592298 GMWZKPSBBGTJJT-UHFFFAOYSA-N 342.402 3.659 0 1 EHAF OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(OC(F)F)cc2)CCC1 103538685 OXKASAMFVAPJAE-CQSZACIVSA-N 332.310 3.551 0 1 EHAF OC1=C2C(=Nc3nnnn3[C@@H]2c2ccc(Cl)cc2Cl)CCC1 103627975 MGIHQNUGDBXKGK-CYBMUJFWSA-N 336.182 3.651 0 1 EHAF Nc1cccc(Nc2ccc3c(c2)OCc2ccc(N)cc2C3=O)c1 103273330 FEKOZABSEVTSEL-UHFFFAOYSA-N 331.375 3.718 0 1 EHAF C[C@@H]1CCC[C@@H](C)N1CCCC(O)(c1ccccn1)c1ccccn1 29558716 LXKWJTWZTYWAPV-QZTJIDSGSA-N 339.483 3.756 0 1 EHAF COC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29407121 IVJOAORQVUYFDW-RLJSVBKGSA-N 347.499 3.639 0 1 EHAF COC(=O)[C@]12C=C[C@@H]1[C@@H]1[C@](O)(CC[C@H](C)[C@]1(C)CCc1ccoc1)C2 2356587947 DIESKYKUAGQRNF-XCRXSRCGSA-N 344.451 3.745 0 1 EHAF COc1cc(CCN[C@@H](C)COc2c(C)cc(C)cc2C)ccc1O 66166934 FWLVKBPAXMEZBS-KRWDZBQOSA-N 343.467 3.926 0 1 EHAF COc1ccccc1/C=C/CN1CC[C@]2(CCCN(CC3CC3)C2)C1 39460904 KRWJXUKCBZEHGN-ZMTJCJBESA-N 340.511 3.906 0 1 EHAF C[C@@H]1C(=O)c2cc3c(cc2[C@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 14726877 QJSBINYNDXOXHY-FDMGOTLNSA-N 338.359 3.744 0 1 EHAF biogenic COc1ccc(-c2cc3c(S(=O)(=O)O)c[nH]c3cc2Cl)cc1 216024032 MMGOAYXPWRRJPK-UHFFFAOYSA-N 337.784 3.744 0 1 EHAF CC(=O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253632636 CIUZTBJZAMUYJU-FFWOKMQNSA-N 334.500 3.710 0 1 EHAF O=C(C[C@H]1OC(=O)c2ccccc21)c1ccccc1Br 653852884 AMDOYSLRGVECID-OAHLLOKOSA-N 331.165 3.934 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCn3cccc32)N1 587773919 SGBLBUIJBMRQEK-PIGZYNQJSA-N 349.247 3.961 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(NC(C)C)nc1)CC2=O 587469093 HYDVHMPCRIWPHB-KRWDZBQOSA-N 341.411 3.662 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](CC)C(=O)OCC)CC2=O 587476798 AWZGFSWWPINGFU-AUUYWEPGSA-N 334.412 3.658 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](C(=O)O)CC3 587206719 LSOWSILSMTUXGN-LLVKDONJSA-N 329.355 3.636 0 1 EHAF Oc1cccc(CCCCc2nc3ccnc(Br)c3[nH]2)c1 586896794 YHQROVJZQAZBNO-UHFFFAOYSA-N 346.228 3.991 0 1 EHAF COC(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1OC 587162658 YBDWYFXWXHPXSF-KBPBESRZSA-N 340.354 3.768 0 1 EHAF Cc1nccc2[nH]c(CCNc3ccc(Br)cc3)nc12 586996043 QQFHLWYKVDQUBK-UHFFFAOYSA-N 331.217 3.683 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC[C@H]2CCOC2)N1 587832253 BCZWJKAZMFRAQB-GDLVEWKHSA-N 342.252 3.980 0 1 EHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(F)c4[nH]3)cc2N1 587126625 ZIQMGZXGINAOQU-HQJQHLMTSA-N 339.296 3.873 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(C)cc1OC)[C@@H](C2)C3=O 587441673 GSRAAPXLOSDLNI-KKSFZXQISA-N 338.403 3.983 0 1 EHAF COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2c1OC 587169187 VLUYFEOEWOHOMK-SNVBAGLBSA-N 344.342 3.637 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](C(=O)O)C3 587207651 UQLPRANLVDKJNW-NSHDSACASA-N 329.355 3.636 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1cnn3C(C)C)O2 587391936 PGRXZXVPICBTCD-LJQANCHMSA-N 325.412 3.552 0 1 EHAF Cc1cc(Cl)cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c12 587223774 GAGGXYAWWSZUNH-LBPRGKRZSA-N 343.814 3.608 0 1 EHAF CC[C@H](Oc1ccccc1Cl)c1nc2cccc(C(N)=O)c2[nH]1 587062240 OXBHCXUCVIWHON-ZDUSSCGKSA-N 329.787 3.845 0 1 EHAF O=Cc1cc(Br)cc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 586981832 FVSKKCNJLQBYEC-UHFFFAOYSA-N 345.152 3.503 0 1 EHAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CCCC23CCC3)N1 962972256 IEHXTICNFWRHPX-YVEFUNNKSA-N 341.785 3.767 0 1 EHAF Cc1ccnc2c1CCN[C@@]21CC[C@H](OCc2ccccc2)C[C@H]1F 963072485 SFMFUSHMCSTNAZ-FBBABVLZSA-N 340.442 3.838 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1cccc2c1CCC2 963637679 TVOXVTUEZUYKMI-FPTDNZKUSA-N 337.463 3.990 0 1 EHAF c1ccc(CCNc2nn3c(-c4ccsc4)cnc3s2)nc1 117605740 QFYJDYJRRPLHJZ-UHFFFAOYSA-N 327.438 3.569 0 1 EHAF COc1ccccc1C(=O)N1CCC(=CC#Cc2cccc(C)n2)CC1 140811689 CPCBQVROYOGMHU-UHFFFAOYSA-N 346.430 3.613 0 1 EHAF c1ccc2cc(-c3cnnc(NCCN4CCCCC4)n3)ccc2c1 12594774 KMCZVDQOSNWYMW-UHFFFAOYSA-N 333.439 3.590 0 1 EHAF N[C@H](COc1cnccc1/C=C/c1ccncc1)Cc1ccccc1 14957747 QZKSMRVWWGOLAV-YJJPMGAVSA-N 331.419 3.596 0 1 EHAF CCCc1cc(O)n2nc(NCc3ccc(C(C)C)cc3)nc2n1 6636454 WZISDIBFFWDQFZ-UHFFFAOYSA-N 325.416 3.518 0 1 EHAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@]54C)[C@H]2CC[C@H]13 1857567490 ODNGPDQXZHFBIW-PZTYYIBOSA-N 330.468 3.852 0 1 EHAF Cc1cccc(Nc2nc3nonc3nc2Nc2ccccc2F)c1 1857570383 PHAMRBRFIUDRMY-UHFFFAOYSA-N 336.330 3.948 0 1 EHAF F[C@H]1CN(CC2CCCCC2)C[C@@H]1OCc1nc2ccccc2o1 2356299978 RJBMRRLNAIAWGT-YJBOKZPZSA-N 332.419 3.947 0 1 EHAF COc1cc(C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1OC(C)=O 2105904 KUGMSYFFXZDRGR-JNAXZKDPSA-N 346.423 3.992 0 1 EHAF COc1ccc(/C=C(/F)c2cc(OC)c(OC)c(OC)c2)cc1N 6733320 ZUMOXDRSPFSJNV-NTUHNPAUSA-N 333.359 3.771 0 1 EHAF CCCn1c(OC2CCCC2)nc2nc(C3CCCC3)[nH]c2c1=O 117400243 SVIXZCUMQSKZPM-UHFFFAOYSA-N 330.432 3.509 0 1 EHAF N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cc(C(F)(F)F)ccc12 118569943 VZDFRMBKSJGFTM-UHFFFAOYSA-N 346.264 3.925 0 1 EHAF CC[C@](O)(c1ccc(-c2cccc(NC(C)=O)c2)cc1)c1c[nH]cn1 59972035 LSNINMQJLNWRJL-FQEVSTJZSA-N 335.407 3.681 0 1 EHAF O=C1OC[C@H]2CCN(Cc3ccccc3F)Cc3ccc(F)cc3N12 2356466065 QZSHCLBOZYZPOP-MRXNPFEDSA-N 344.361 3.696 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)[C@H](O)C[C@H]32)C1 15046109 DEFGFJXDFQPYFM-PUNHBPBZSA-N 348.483 3.501 0 1 EHAF biogenic c1cncc(-n2cc(CSc3nc4ccccc4s3)nn2)c1 82153377 UCPYRFKZAGOUDV-UHFFFAOYSA-N 325.422 3.564 0 1 EHAF CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 145841346 JLDCFKOXVDYUIO-UHFFFAOYSA-N 334.379 3.762 0 1 EHAF O=c1[nH]c2cc(-c3ccc(F)cc3)ccc2c(Br)c1O 96903229 LWNUJYSZDAFRCB-UHFFFAOYSA-N 334.144 3.802 0 1 EHAF C[C@H](O)[C@H]1CC[C@]2(O)[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255209640 FOTMUZAAVBPQAN-ZUWDPFIISA-N 336.516 3.502 0 1 EHAF c1ccc(CNc2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)cc1 299854949 APPSICVVQOQHSJ-UHFFFAOYSA-N 346.438 3.922 0 1 EHAF COc1cccc(-c2cccc3c2Cc2c-3nc(O)c3nccn23)c1 299862996 OHJPXVVYLKITPA-UHFFFAOYSA-N 329.359 3.682 0 1 EHAF O=C(O)CSc1ncccc1-c1nc2cc3ccccc3cc2[nH]1 586968661 PSOACEBVRFLWND-UHFFFAOYSA-N 335.388 3.955 0 1 EHAF COc1cccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 586996213 BCVXKFFVAXFGON-GFCCVEGCSA-N 346.228 3.577 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CCSC2)N1 587858671 STXMFEIUCHKDNC-XLKFXECMSA-N 328.250 3.837 0 1 EHAF Clc1ccccc1NCc1nc2c(Br)ccnc2[nH]1 587060716 SCPIYTKZDOKYRF-UHFFFAOYSA-N 337.608 3.986 0 1 EHAF CO[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586993647 YYKPCVJFLWKPPP-LLVKDONJSA-N 331.371 3.656 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1nc4c(s1)CCCC4)[C@@H](C2)C3=O 587454073 UTJMUZJUFWAXGR-HXPMCKFVSA-N 341.432 3.693 0 1 EHAF CC[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352785 XOWWZMWBIBYXPH-IEBWSBKVSA-N 330.355 3.685 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](N=O)[C@H]2CC[C@]1(C)C2(C)C 587386366 INTUQTLNVGUJQD-YDISMWLMSA-N 328.412 3.872 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ncccn1)CC2=O 587470950 NOGAHDRNUGTRLI-GOSISDBHSA-N 349.390 3.632 0 1 EHAF CCC1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1 587616248 JJZSTDYAIVNYBC-QFBILLFUSA-N 340.375 3.539 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(SCC)nc1)CC2=O 587494009 VSQVHZWWDIHFNA-MRXNPFEDSA-N 344.436 3.953 0 1 EHAF O=C(O)c1ccccc1/C=C/c1nc2cc(Br)cnc2[nH]1 586882367 PBHWNRULTKJOLP-AATRIKPKSA-N 344.168 3.589 0 1 EHAF CC[C@H](O)c1nc2cc(Br)c(Br)cc2[nH]1 586901680 XEMAIKPJYZZYLH-VIFPVBQESA-N 334.011 3.531 0 1 EHAF Cc1cc(C)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587523801 HXJKKXFOZOYNNE-JOCHJYFZSA-N 347.414 3.995 0 1 EHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(C)(C)O 587858540 JNZNGXYBQJJXCF-UHFFFAOYSA-N 343.210 3.667 0 1 EHAF CCOc1cc([C@H]2NCCc3c2c(C(C)C)nn3C)c(F)c(F)c1C 962925333 ZDNOEKWRQNPXCK-LJQANCHMSA-N 349.425 3.764 0 1 EHAF Fc1cccc2c1[C@](C1=COCC1)(C(F)(F)F)N1CCC[C@@H]1C2 963113323 QUSVBFHROSXHIX-CZUORRHYSA-N 327.321 3.908 0 1 EHAF CN1Cc2c(C3CCNCC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772581590 RYCUFYDCYDPQLV-UHFFFAOYSA-N 336.414 3.786 0 1 EHAF O=C1Nc2cccc(F)c2CN1c1csc(-c2ccncc2)n1 14974656 XVUWYNOULLGRIG-UHFFFAOYSA-N 326.356 3.896 0 1 EHAF CC[C@@H]1[C@@H](C)[C@@H](Cc2ccc(C(=O)NC(=N)N)cc2)CCC1(C)C 169339861 YKHCAUNZHILION-IAOVAPTHSA-N 329.488 3.951 0 1 EHAF C[C@H](N)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1Cl 1655281 YCLYRNDXVSQENG-VIFPVBQESA-N 331.828 3.902 0 1 EHAF O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1cccc2ccccc12 13681657 PGWGUIYFBIXWOQ-UHFFFAOYSA-N 338.366 3.888 0 1 EHAF Nc1nc(N)c2c(Cl)c(CNc3ccc(Cl)cc3)ccc2n1 29467015 POABSTJQVCGAIB-UHFFFAOYSA-N 334.210 3.713 0 1 EHAF CO/C=C(\c1cc(OC)cc(OC)c1)c1ccc(OC)c(OC)c1 34059137 XTZJATGJPJIUEC-ATVHPVEESA-N 330.380 3.757 0 1 EHAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]3CC[C@@]4(CCCO4)[C@]3(C)CC[C@H]12 34801317 PJPLXNAOJADMRD-XHOBZQISSA-N 329.484 3.833 0 1 EHAF COc1ccc(Cn2cnc(-c3cncnc3-c3ccco3)c2)cc1 49803150 RGLJTCFSNQABDK-UHFFFAOYSA-N 332.363 3.657 0 1 EHAF COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(N)=S)cc1 53314884 DHEZMKZYJNFVFC-GOSISDBHSA-N 339.464 3.707 0 1 EHAF CCOC(=O)c1c(N)oc2c1c(SCC)c(O)c1ncccc12 66099280 XANOHHKWXONNRK-UHFFFAOYSA-N 332.381 3.558 0 1 EHAF Cc1cccc(-c2nc(N)nc3c2CN(C(=O)C2CCCC2)[C@H]3C)c1 67433939 PPRWPQWKWLGWHO-ZDUSSCGKSA-N 336.439 3.628 0 1 EHAF O=c1ncn2nc(Sc3ccccc3)ccc2c1-c1ccccc1 84604626 LVRZPSIXICEYCW-UHFFFAOYSA-N 331.400 3.908 0 1 EHAF COC(=O)/C(=C/c1ccc(F)cc1)CSc1nc(C)cc(C)n1 169308063 CFLVXEAXQWIHDB-NTEUORMPSA-N 332.400 3.581 0 1 EHAF CCCCC[C@@H]1/C=C/[C@H]2C(=O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 195147535 HZYSFMCHNGCKLZ-FNLGWFRMSA-N 334.456 3.731 0 1 EHAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC[C@H](O)CCC/C=C/2 199786053 NGLVGORGJHOUAU-YORMDBTCSA-N 348.439 3.977 0 1 EHAF CC(C)(NC(=O)c1nn(C(C)(C)C)c2c1C[C@H]1C[C@@H]21)c1ccccc1 218904877 QTMSLDWWPPFWAP-UKRRQHHQSA-N 337.467 3.963 0 1 EHAF Brc1cncc2nc(-c3csc4c3CCOC4)[nH]c12 587031838 MUCDVKRTODDMSP-UHFFFAOYSA-N 336.214 3.522 0 1 EHAF COc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1C 587041315 MVKYYFZOMNQGFQ-WMZOPIPTSA-N 339.464 3.826 0 1 EHAF CC(C)Oc1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 587042053 HOKPGFNUHCPWMU-HNNXBMFYSA-N 347.484 3.970 0 1 EHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)ncc2[nH]1 587114012 QANNJXKPHFBJAW-JTQLQIEISA-N 340.736 3.873 0 1 EHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587164337 SOKSVNWHDGKITF-CQSZACIVSA-N 338.308 3.767 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N)cccc1Br)O2 587375464 CLUYIVJEKVHXSN-CQSZACIVSA-N 347.212 3.628 0 1 EHAF COc1cc2c3c(c1)O[C@@](/C=C(\C)N(C)C)(c1ccccc1)[C@@H](C2)C3=O 587429146 NVKBXMCHJQSQER-CSTZELCDSA-N 349.430 3.804 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)c4cccc(C)c14)[C@@H](C2)C3=O 587430402 HNAFTPQRWOSKJC-LHSJRXKWSA-N 333.387 3.984 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)CCCN4)[C@@H](C2)C3=O 587438882 IQYJMGRWKQEFBP-HRAATJIYSA-N 335.403 3.716 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1C(=O)OC)CC2=O 587477816 HGDZTCIZBZELIB-GOSISDBHSA-N 340.375 3.838 0 1 EHAF C[C@H](O)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587529207 LJEVZOJLNSQIKR-NYHFZMIOSA-N 336.431 3.893 0 1 EHAF COC(=O)c1ccoc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587533202 OSEFIQQHAAVMGN-MRXNPFEDSA-N 326.348 3.652 0 1 EHAF COCc1c(-c2ccc(F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648906 CKALGPRWKBLEQC-UHFFFAOYSA-N 333.384 3.524 0 1 EHAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(Br)c(F)c2[nH]1 587961482 GEASOHPVDIYITO-HTQZYQBOSA-N 325.181 3.622 0 1 EHAF O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(Cl)ccc21 653787297 CXXGOFBGPSCPPY-UHFFFAOYSA-N 344.798 3.829 0 1 EHAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2cnc3[nH]ccnc2-3)cc1 962662648 FLWNEGRNKRSNJZ-IBGZPJMESA-N 326.403 3.812 0 1 EHAF Cn1cc(CC[C@H]2c3ccsc3CCN2Cc2ccco2)cn1 962704876 HYYODUQESHVDIT-KRWDZBQOSA-N 327.453 3.807 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@]31CCCc2ccc(O)cc21 963040264 VRXVNKMCYBFQHX-QFIPXVFZSA-N 346.430 3.675 0 1 EHAF C=C1C=C(C)n2ncc([C@@H]3c4c(F)cccc4C[C@@H]4CCCN43)c2N1 963105485 MMHAGAVWODRVCO-HNAYVOBHSA-N 336.414 3.932 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1cccc2c1CCC2 963638322 TVOXVTUEZUYKMI-RCDICMHDSA-N 337.463 3.990 0 1 EHAF COc1cc2ccc(=O)oc2cc1OCC=C(C)CCC=C(C)CO 2356417181 TVDKTNHSAAVHMX-UHFFFAOYSA-N 344.407 3.846 0 1 EHAF COc1ccc([C@@H]2CC(=O)N(C)c3ccccc3S2)cc1OC 253153 ZJWCOLQBMCCBOW-KRWDZBQOSA-N 329.421 3.904 0 3 EHAF CC(C)(C)C(=O)N1Cc2cc(-c3ccccc3)ccc2-n2nncc2C1 95599348 PCICGCIMPAKZHZ-UHFFFAOYSA-N 346.434 3.823 0 3 EHAF CO[C@]1(C)C[C@@H](c2ccccc2)c2c(c3ccc(O)cc3oc2=O)O1 27557340 MELHIKRKNJZGHR-YWZLYKJASA-N 338.359 3.776 0 1 EHAF C[C@H](Oc1cccc2nc(N)nc(N)c12)c1ccccc1C(F)(F)F 28971584 NCCAPKUIDRABLN-VIFPVBQESA-N 348.328 3.953 0 1 EHAF COc1ccc2c(c1)c(CCN)c(C)n2C(=O)c1ccc(Cl)cc1 28862919 AZIINBAVIXTVNX-UHFFFAOYSA-N 342.826 3.801 0 1 EHAF Fc1ccc(F)c(-c2cccc(-n3nnc(-c4ccccn4)n3)c2)c1 28385526 OEQNQVYFEFZJEX-UHFFFAOYSA-N 335.317 3.670 0 1 EHAF CC1=CCC[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@H](C)CC(=O)[C@]13CO4 2356532200 HNNFHZJWACUQJP-LWUBGYQZSA-N 328.408 3.963 0 1 EHAF C[C@H]1Oc2cc(O)c3c(=O)c(O)c(-c4ccccc4)oc3c2C1(C)C 2356680067 SJQMEUQHXJRNHG-SNVBAGLBSA-N 338.359 3.930 0 1 EHAF CCCCC[C@H](O)C1=C[C@@H]2c3c(ccc(O)c3CO)C[C@@H]2C(C)(C)O1 13373567 QVNSKPMXIWUANR-ZVZYQTTQSA-N 346.467 3.774 0 1 EHAF biogenic O=S(=O)(c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(F)F 40505269 LMJBWRFOPVSTII-UHFFFAOYSA-N 334.347 3.740 0 1 EHAF COC(=O)Cc1cc(O)cc2oc(-c3ccc(Cl)cc3)cc(=O)c12 84671537 AHZWJVHIOULPCU-UHFFFAOYSA-N 344.750 3.535 0 1 EHAF Clc1ccc([C@@H](CCN2CCOCC2)N2CCCC2)cc1Cl 148897272 UPVLRNUPSLZGHM-QGZVFWFLSA-N 343.298 3.853 0 1 EHAF C[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3O[C@@]32C)[C@@]1(C)CCC1=CC(=O)O[C@H]1O 238764080 JMOKYZIRKYSDQA-XMIJRRTNSA-N 334.456 3.578 0 1 EHAF Cn1cnc2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc21 96169304 TWQVKEXSMJKFOA-ICSRJNTNSA-N 345.446 3.908 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255215398 HHUZGDMRRLQZIQ-CJRFFIMPSA-N 334.500 3.566 0 1 EHAF CO[C@H](c1ccccc1)[C@H](C)[C@H](OC)[C@H](C)[C@@H](OC)[C@H](C)C(C)=O 253947821 WPRYXYGHRKNLKD-WXTOSUBFSA-N 336.472 3.901 0 1 EHAF CCCCCCN1C(=O)C=C(Br)/C1=C/Br 473154361 GOYLVEHKEVSTLL-NTMALXAHSA-N 337.055 3.924 0 1 EHAF CC[C@@H](Cc1ccc(C(=O)NCc2ccccc2Cl)cc1)C(=O)O 653793227 LVAXENRMEXDZKF-AWEZNQCLSA-N 345.826 3.923 0 1 EHAF CCC[C@]1(CNC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587388187 XJFJJIXZNDGPDO-LJQANCHMSA-N 348.443 3.606 0 1 EHAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]4C(=O)O)-c1ccccc1C2=O 587100891 INSZHVRADOEROB-AWEZNQCLSA-N 329.355 3.869 0 1 EHAF COCCc1c(COC)nc2cccc3c2c1-c1ccccc1C3=O 587108150 VRKAPKJZCLNLHR-UHFFFAOYSA-N 333.387 3.782 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccccc32)N1 587816823 DQSJOCIHTDDUKJ-BMLIUANNSA-N 332.216 3.922 0 1 EHAF COc1cc(OC)c2[nH]c([C@H](CN)Cc3ccc(Cl)cc3)nc2c1 587069196 FRGDKZRYRMYOQO-LBPRGKRZSA-N 345.830 3.519 0 1 EHAF Cc1cc(C)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 586967011 OUIDXLYLOSJBNZ-UHFFFAOYSA-N 337.408 3.917 0 1 EHAF Cc1ccc2c(ccc3nc([C@@]4(N)C[C@@H]4c4ccccc4F)[nH]c32)n1 587154314 DDQZRDVYAWTJRH-JLTOFOAXSA-N 332.382 3.900 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccns1 587616521 DICSMOAZKLXVMQ-PBHICJAKSA-N 325.345 3.552 0 1 EHAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1Cl 587377195 VEVHARATDIRZQT-SFHVURJKSA-N 346.814 3.702 0 1 EHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(F)cc4[nH]3)cc2N1 587125297 RIMKKLUKAOMZSD-JVXZTZIISA-N 339.296 3.873 0 1 EHAF COC(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 587969842 ANDIMCHWQOMYFP-UHFFFAOYSA-N 348.402 3.779 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2)N1 587833753 PCEOTWWERROTAA-XXFAHNHDSA-N 336.204 3.917 0 1 EHAF CN(C)CCCN1C(=O)Nc2ccc(Cl)cc2[C@H]1c1ccco1 13553543 GTOFKQKNYGAZDA-INIZCTEOSA-N 333.819 3.822 0 1 EHAF CC(C)(C)NS(=O)(=O)c1ccc2c(c1)Nc1ccccc1CC2 169330437 SSHCWPYEEBMNBO-UHFFFAOYSA-N 330.453 3.606 0 1 EHAF C/C=C1/C(=O)O[C@@H](c2ccoc2)/C1=C(\C)c1cccc2c1COC2=O 155873047 XBLYNGFLAFKITF-CJQQDHPZSA-N 336.343 3.968 0 1 EHAF COc1ccc2c(c1)NC(=O)CCCN2c1nc(C)nc2ccccc12 1857598350 PUVVLCZMYQSYHZ-UHFFFAOYSA-N 348.406 3.817 0 1 EHAF Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2ccc(-c3ccccc3)cc2)n1 58590929 KNERKZOFGJZSHK-NQIIRXRSSA-N 345.446 3.540 0 1 EHAF CC[C@H](c1ccccc1)c1n[nH]c2c1CN(Cc1ccccn1)CC2 20869434 NOEOGXQZOQLUKK-GOSISDBHSA-N 332.451 3.905 0 1 EHAF COC(=O)C(C=CC1=C(C)CCCC1(C)C)=CO[C@@H]1C=C(C)C(=O)O1 2356520170 CKPATFHQOSFGEL-KRWDZBQOSA-N 346.423 3.972 0 1 EHAF O=C(Nc1cccc(Cl)c1)c1cccnc1NCc1ccncc1 28957125 BYYGTPFQKSTOIQ-UHFFFAOYSA-N 338.798 3.994 0 1 EHAF CC=C(C)C(=O)OC[C@]1(O)CC[C@H](C(C)C)[C@@H]2[C@@H](C(C)=O)CC[C@@H]21 2356563978 HCLBHWFWGBSTRW-BFMVXSJESA-N 336.472 3.524 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC(=O)[C@@H](C)[C@@]12C 2356750730 AQLZNBNHVVROJC-NGVQZCTJSA-N 344.407 3.956 0 1 EHAF CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 28572286 KFCPOTABOSFYOA-SFHVURJKSA-N 344.361 3.792 0 1 EHAF CC(C)N1C(=O)N[C@@H](c2ccc(F)cc2)c2cc3c(cc21)OCO3 39290287 XYMKIBFAOOSHTB-KRWDZBQOSA-N 328.343 3.582 0 1 EHAF COc1ccc2c(c1)c(/C=C/C(=O)O)cn2Cc1ccc(F)cc1 84634517 IXMVBGOWRAXWGA-RUDMXATFSA-N 325.339 3.935 0 1 EHAF Fc1cc2[nH]c([C@@H]3COc4ccccc4O3)nc2cc1Br 93729054 PDYPGKXWLHHJNU-AWEZNQCLSA-N 349.159 3.977 0 1 EHAF c1ccc(CNc2nc(Cc3ccccc3)cc3c2CCNCC3)cc1 299852346 QQMIHTAMSXWKTQ-UHFFFAOYSA-N 343.474 3.973 0 1 EHAF CCCn1c(-c2ccco2)nc2c(N)nc(NCc3ccccc3)nc21 653807611 ZUYTYAOCIXZTBJ-UHFFFAOYSA-N 348.410 3.691 0 1 EHAF Cc1cccc(-n2cc(COC(=O)c3cc4ccccc4[nH]3)nn2)c1C 653738929 VMYNCOGIMUVLED-UHFFFAOYSA-N 346.390 3.722 0 1 EHAF COc1cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1OC 587174365 IJMSQVCWPFGELK-UHFFFAOYSA-N 325.343 3.791 0 1 EHAF CC[C@@]1(c2ccc(Cl)c(N)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424164 XRDPDMMRSOFTDG-YJYMSZOUSA-N 343.810 3.984 0 1 EHAF CC[C@]1(c2cc(C(=O)O)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 587381033 FKSMDEQYJLXOLY-LJQANCHMSA-N 343.354 3.685 0 1 EHAF CC[C@]1([C@@H]2CCOC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587837101 ZKCLASIRHBPISI-KANYHAFZSA-N 342.252 3.764 0 1 EHAF Cc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587185636 VPUDNZMEPHZPRW-UHFFFAOYSA-N 335.148 3.538 0 1 EHAF COC(=O)c1cc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2cn1 587172175 YJQKFTUVVPUZFE-SNVBAGLBSA-N 345.399 3.779 0 1 EHAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587163553 MJJBPYBFZFZSQP-SFHVURJKSA-N 341.386 3.514 0 1 EHAF Cc1ncsc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587851786 CMLJUBPJQLCOGD-UHLUBPPHSA-N 341.249 3.977 0 1 EHAF N[C@H](N=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587152812 RIRPWHPOJYXTEA-LYOVBCGYSA-N 328.322 3.836 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CN1CCC3CC1 586990596 ZNAZUNMAOGCJOI-UHFFFAOYSA-N 342.398 3.845 0 1 EHAF CC[C@]1(Cc2nc3cnc(Cl)[nH]c-3n2)CC(=O)c2ccccc2C1 587959490 FMNDKZJMLLAARP-GOSISDBHSA-N 340.814 3.726 0 1 EHAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 586921770 FQEYZHFMFDBDLQ-UHFFFAOYSA-N 343.452 3.716 0 1 EHAF O=C(Cc1nc2cccc(Br)c2[nH]1)OCc1ccccc1 587782754 XPTXKGYRDWPLPL-UHFFFAOYSA-N 345.196 3.611 0 1 EHAF Fc1cc(Br)c(Cl)cc1-c1nc2cnncc2[nH]1 587137934 SRNDKNPMQYGGPY-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF CCOc1ccc(OCC(=O)COc2ccc(OCC)cc2)cc1 169334112 YJGQGSHPGSLPFW-UHFFFAOYSA-N 330.380 3.511 0 1 EHAF CC(C)(C)Oc1ccccc1[C@H]1NCCc2c(C(=O)O)cccc21 963124405 QEPCXGIPLDGIPC-SFHVURJKSA-N 325.408 3.797 0 1 EHAF COc1cc(-c2cn[nH]c2)cc(F)c1C(=O)N[C@H](C)c1ccccc1 1772589506 SMVSFIUZEOJMAF-GFCCVEGCSA-N 339.370 3.715 0 1 EHAF CC(C)CCC[C@@H](C)NC1=NS(=O)(=O)c2sc(Cl)cc2N1 13491166 BZBUMLJYBBIGDL-SECBINFHSA-N 349.909 3.676 0 1 EHAF C[C@@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 13911745 IIKHDOHLMOEJTH-SQPSOYEMSA-N 339.888 3.989 0 1 EHAF CCCCn1c(=O)c2c(c3cc(C(=O)N(C)C)ccc31)CCCCC2 169328419 BRDYMRDSCDERMS-UHFFFAOYSA-N 340.467 3.772 0 1 EHAF CCNC(=O)c1cccc2cc(-c3cccc4[nH]nc(N)c34)ccc12 169350194 NLNWDQZXNMUIRE-UHFFFAOYSA-N 330.391 3.715 0 1 EHAF NCCCn1cc(-c2ccc3c(c2)CC[C@H]3N=O)c(-c2ccncc2)n1 169686125 QEGWQNKUFAZZCG-LJQANCHMSA-N 347.422 3.715 0 1 EHAF COc1ccc(CN2C(=O)[C@@H](n3cccc3)c3cc(OC)ccc32)cc1 206026717 NTUCJHYRNGQHDR-FQEVSTJZSA-N 348.402 3.642 0 3 EHAF O=C1[C@@H]([C@@H](O)c2ccccc2Cl)CCCN1Cc1ccccc1 103284585 NFEWELYMDNXMCD-AEFFLSMTSA-N 329.827 3.812 0 1 EHAF CN1CCN(CCCCN2c3ccccc3CCc3ccccc32)CC1 26664535 BDLIOZRJQHUGMF-UHFFFAOYSA-N 349.522 3.951 0 1 EHAF CCCCC[C@@H]1/C=C\[C@@H]2C(=O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 101170428 HZYSFMCHNGCKLZ-WGHFDTRWSA-N 334.456 3.731 0 1 EHAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)CCC2(CCCCCC2)O3)S1 26943354 IHLBBMFEGKIFIH-INIZCTEOSA-N 345.464 3.999 0 1 EHAF CCOC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)CC1 61897990 BWCQYLVGXJIUDX-INIZCTEOSA-N 325.408 3.645 0 3 EHAF CCC(=O)N(c1cccc(Br)c1)[C@H]1CCC[C@@H]1N(C)C 28242281 JJWFDAVLZOUOOZ-GJZGRUSLSA-N 339.277 3.675 0 1 EHAF COc1ccc(-c2nc(CN)c(C)o2)c2ccc(C(F)(F)F)nc12 28950184 USDLDQFGJULIGM-UHFFFAOYSA-N 337.301 3.684 0 1 EHAF C[C@@H]1c2ccoc2C[C@@H]2[C@@H]1CC[C@H]1[C@]2(C(=O)O)CCC[C@@]1(C)C(=O)O 2356598464 QRMVWXGDIZSPKK-YSTZINBVSA-N 346.423 3.927 0 1 EHAF CCOC(=O)c1nn(C(=O)c2cccc(Cl)c2)c2ccccc12 72177714 NWMGGTNAFQKOLP-UHFFFAOYSA-N 328.755 3.555 0 1 EHAF COc1ccc2nc(CCc3cc4c(cc3Cl)OCO4)[nH]c2c1 40379176 XQSPJBNOQWTWFM-UHFFFAOYSA-N 330.771 3.739 0 1 EHAF COc1ccc(CSc2nnc(-c3ccc4c(c3)CCO4)o2)cc1 40395086 KDBVFKKUBSCXLU-UHFFFAOYSA-N 340.404 3.972 0 1 EHAF COc1nc2sccn2c1/C=C1/C(=O)Nc2ccc(Cl)cc21 84712791 CSEWBSBQTZFSDB-JXMROGBWSA-N 331.784 3.551 0 1 EHAF C[C@@H](O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1-c1cn[nH]c1 224679273 PWWJBQFUGNBNDJ-ZIAGYGMSSA-N 335.407 3.621 0 1 EHAF NC1=N[C@@H](c2cccc(CC(=O)c3ccc(Cl)cn3)c2)CCS1 96174332 LVYYIVDJWVBOFF-CQSZACIVSA-N 345.855 3.653 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=COCCC2)N1 587835841 QTFSBUXDXWZLIX-VFZGTOFNSA-N 326.209 3.858 0 1 EHAF COc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OCCC(=O)O 587211955 NDRLFEARIYITTM-UHFFFAOYSA-N 349.386 3.863 0 1 EHAF COCCCn1nccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516248 BGCDRFOJOFIAOF-LJQANCHMSA-N 340.423 3.505 0 1 EHAF Oc1c(Br)ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 587090762 XHTNQURACQVZQH-MRVPVSSYSA-N 347.493 3.954 0 1 EHAF Cn1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(C(F)(F)F)c1 587115405 NDJUCNXAXUUUAQ-UHFFFAOYSA-N 337.301 3.749 0 1 EHAF O=C(N[C@H](c1ccccc1)c1nc2ccc(O)cc2[nH]1)c1ccccc1 587218291 HZFRWARIXDTTQL-LJQANCHMSA-N 343.386 3.788 0 1 EHAF Brc1ccc2nc(Cc3csc4nccn34)[nH]c2c1 587039249 BZORNVLFJRUPOU-UHFFFAOYSA-N 333.214 3.625 0 1 EHAF COc1ccc(/C=C\Cc2nc3ccc(Cl)nc3[nH]2)c(OC)c1 587930157 QKBQEKPECGXPLQ-ARJAWSKDSA-N 329.787 3.884 0 1 EHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)cnc2[nH]1 586882410 RZHBSJDKKWJLFV-UHFFFAOYSA-N 327.771 3.540 0 1 EHAF NC(=O)Nc1cccc(-c2nc3ccc(F)c(Br)c3[nH]2)c1 587242175 OMUVRNYLERXQRH-UHFFFAOYSA-N 349.163 3.622 0 1 EHAF O=C(O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587020971 FGWDECSRFIEHEP-UHFFFAOYSA-N 335.388 3.975 0 1 EHAF COc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1OC 587092000 KRIQCEVWBBMWGU-UHFFFAOYSA-N 341.289 3.730 0 1 EHAF Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587853791 RSOLMFZEKWUJSL-JKYUHCHBSA-N 341.249 3.977 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCC3(C[C@@H]1C)OCCO3)CC2=O 587482244 DJGBQXZOOJJUDW-DJJJIMSYSA-N 346.423 3.612 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(C)[nH]c4ccc(O)cc14)[C@@H](C2)C3=O 587439820 XCWXVGUMJHAMTR-XOBRGWDASA-N 335.359 3.679 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@H]3C(=O)O 586992202 ZNUQOOMRRBKBLR-GFCCVEGCSA-N 345.354 3.656 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4cc(F)ccc14)[C@@H](C2)C3=O 587430104 YCKVDIOVWSUFNB-XOBRGWDASA-N 337.350 3.978 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccn3)[nH]n1)CC2=O 587487416 VRQLAQHUCBGDFI-LJQANCHMSA-N 349.390 3.836 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2)N1 587833790 PITMNBJHTZSAIT-JDNHERCYSA-N 336.204 3.917 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)[C@@H]1C(=O)OCC)CC2=O 587479410 IGPXHMZAJXJXIC-WYAVIUHXSA-N 346.423 3.658 0 1 EHAF C[C@@]1(C2CCOCC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962696646 AIYPZJHZTCZOJV-HNAYVOBHSA-N 335.488 3.831 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2nc(N)sc2C)N1 962939008 BGWSWRGNYIGIGU-ADLMAVQZSA-N 326.469 3.703 0 1 EHAF Cc1cc(C)n(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)n1 13651173 WOQQHRYQNNEDPW-HXUWFJFHSA-N 346.430 3.802 0 1 EHAF Cc1cccc(-c2nn3c(c2-c2ccc4c(c2)ncn4C)CCC3)n1 13684194 LRHPWFKAMHVCJC-UHFFFAOYSA-N 329.407 3.753 0 1 EHAF CC1(C)C=C(N2CCCC2=O)c2ccc(Br)cc2C1=O 13832171 MTUPOSWAKSSOFE-UHFFFAOYSA-N 334.213 3.635 0 1 EHAF CN1C[C@@](O)(c2ccc(-c3ccc(F)cc3)cc2)O[C@@H]2CCCC[C@@H]21 169291093 ACXMYGZDRUPYQF-HBMCJLEFSA-N 341.426 3.911 0 1 EHAF O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)[C@H]1CCCC[C@@H]21 169343382 KQYOJTINKKYFQN-SFYZADRCSA-N 329.179 3.927 0 1 EHAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCO)c(F)c3)cc12 216018386 UTVDEYDIYNHTPQ-UHFFFAOYSA-N 349.745 3.697 0 1 EHAF COc1ccc(OC)c(-n2c(N)nc3cc(C(F)(F)F)ccc32)c1 6558 RUTNWAGOFFGBCZ-UHFFFAOYSA-N 337.301 3.644 0 1 EHAF CC1=CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC(=CCO)CO 2356384285 NVNBXFPYJOINAR-RAUXBKROSA-N 336.472 3.541 0 1 EHAF CCc1ccc([C@@H]2C[C@@H](c3cccc(C)c3)n3nc(N)nc3N2)cc1 2472117 YVWSLWSKOYUHDI-ROUUACIJSA-N 333.439 3.877 0 1 EHAF O[C@H]1Cc2ccccc2C[C@@H]1N1[C@H]2CC[C@H]1CC(c1ccccc1)C2 100799615 ZLZAFQPDXYRKBT-MLCQCVOFSA-N 333.475 3.925 0 1 EHAF Cc1cc(Br)c(Cl)cc1-n1cnc2ccc(O)nc21 118274251 KSWCVVPMGZVFCM-UHFFFAOYSA-N 338.592 3.850 0 1 EHAF Cc1ccc(-n2ccc3c(sc4nccc(N(C)C)c43)c2=O)cc1 35283128 FKCGAOJXLFANNO-UHFFFAOYSA-N 335.432 3.975 0 1 EHAF NC(=O)N1Cc2ccc(Br)cc2CCc2ccccc21 36311173 QBLHWKCUKKYYGO-UHFFFAOYSA-N 331.213 3.633 0 1 EHAF COc1ccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)cc1 34686921 QCGYWEFYNAFTIU-IBGZPJMESA-N 347.842 3.628 0 1 EHAF Cc1ncsc1[C@H](c1ccccc1)n1cc(-c2ccncc2)nn1 95556903 CJLHXCGLKPCPPL-KRWDZBQOSA-N 333.420 3.743 0 1 EHAF CC(=O)C[C@@H]1OC(=O)C=C1/C=C\c1cc(O)c(/C=C/C(C)C)c(O)c1 238773664 RSLQUXPTQHZYMB-CZKSIERCSA-N 342.391 3.611 0 1 EHAF CCCn1c(Br)nc2c(NCc3ccccc3)ncnc21 653795365 NJVWKROFIGALGW-UHFFFAOYSA-N 346.232 3.611 0 1 EHAF C[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)n1cncn1 587105196 SGRCZEGUCJUHRV-GFCCVEGCSA-N 326.359 3.647 0 1 EHAF O=C1C[C@H](c2ccn(CC(F)F)n2)Oc2c1ccc1c2CCCC1 587505552 LVVYINPQGSTFQR-MRXNPFEDSA-N 332.350 3.734 0 1 EHAF CO[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587808562 GWENNBSBFHZEIX-IETSOEAISA-N 342.252 3.907 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(Cc1c(C)n[nH]c1C)CC2=O 587485809 QZUXPUWTDDCBPT-LJQANCHMSA-N 328.412 3.651 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCC=CO2)N1 587830845 FXGZFXKUTULYGM-TURNYIBQSA-N 326.209 3.856 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1sccc1C(=O)O)CC2=O 587495342 QCOFIWOYQQXIFD-AWEZNQCLSA-N 332.377 3.811 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CCC[C@H](C1)N2C 587486749 LAUPGYJYJOEIIG-VTEUUUEMSA-N 329.440 3.695 0 1 EHAF Nc1ccc(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 587251449 HNRBCCDRYQNIHI-ZZXKWVIFSA-N 339.708 3.729 0 1 EHAF CCCCS(=O)(=O)N[C@H](c1nc2cc(C)c(C)cc2[nH]1)C(C)C 586932862 KCPBIISBQPONEB-INIZCTEOSA-N 337.489 3.596 0 1 EHAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 587961430 FWDDPRVGBXVPEQ-JGVFFNPUSA-N 325.181 3.622 0 1 EHAF CC1=C[C@]2(NCCc3ccc(C(=O)N(C)C)cc32)[C@@H](C(C)C)CC1 962927971 GDUOELGXFIAIEX-NQIIRXRSSA-N 326.484 3.742 0 1 EHAF C=C=C[C@]1(C(C)(C)C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976452 ZXXHMUSMPJHAPT-SJCJKPOMSA-N 341.785 3.800 0 1 EHAF Nc1nc(N)c2c(CNc3ccccc3Oc3ccccc3)coc2n1 5939146 GXOWALMMPBQPIM-UHFFFAOYSA-N 347.378 3.792 0 1 EHAF O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCCC1 12711648 CAOJWNDEQIIKDT-UHFFFAOYSA-N 340.301 3.508 0 3 EHAF OC[C@@]1(Cc2ccc(F)cc2)CCCN(CCc2ccccc2)C1 12725530 KLWZHGYLWYANKZ-OAQYLSRUSA-N 327.443 3.685 0 3 EHAF COc1ccccc1[C@H]1N[C@@H](c2ccccc2OC)[C@@H](C)C(=O)[C@@H]1C 13139708 NLSCCGAGHJFEOU-FQZPYLGXSA-N 339.435 3.931 0 3 EHAF NC(=O)[C@@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12 13440146 HHYJJFFVZCZRNO-OAQYLSRUSA-N 343.430 3.507 0 1 EHAF NC(=O)C(=O)CCCCCCOc1ccc(-c2ccccc2)cc1 13553316 BKJJKEGIJADFCS-UHFFFAOYSA-N 325.408 3.737 0 1 EHAF COc1cc2ccc(=O)oc2cc1OC/C=C(\C)CC/C=C(/C)CO 15253763 TVDKTNHSAAVHMX-XQKUNLABSA-N 344.407 3.846 0 1 EHAF CCOCCCNC(=O)c1csc(Nc2ccc(Cl)cc2)n1 1857556007 HKFYJXQTNHZYMO-UHFFFAOYSA-N 339.848 3.697 0 1 EHAF CN(C)C(=O)Cn1ccc2ncc(-c3cccc(C(F)(F)F)c3)cc21 1857611229 XLLXNJWERSVYQO-UHFFFAOYSA-N 347.340 3.810 0 1 EHAF C[C@@H](Oc1ccccc1)C(=O)NCCSc1c[nH]c2ccccc12 2721034 HYQZLWGEZBICPM-CQSZACIVSA-N 340.448 3.844 0 1 EHAF C[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2[nH]c3ccccc3c21 102948767 STDMHHFEFLFPDE-MRAWALMUSA-N 330.387 3.948 0 1 EHAF CCOP(=O)(OCC)[C@H](C)OC(=O)COc1ccc(C)cc1 103277830 WGEBMURQBQVAFO-CYBMUJFWSA-N 330.317 3.529 0 1 EHAF CCN(CC)CCOc1ccc(C[C@H]2C(=O)Nc3ccccc32)cc1 103028894 OUVIXGVDAJWSJY-LJQANCHMSA-N 338.451 3.686 0 1 EHAF NC(=O)C(c1ccc(F)cc1)(c1ccccc1F)c1ccccc1F 29135915 OHDYQIXWGRLRPZ-UHFFFAOYSA-N 341.332 3.924 0 1 EHAF CC(C)(C)CN1CC[C@H](CC(=O)O)[C@H](Cc2nc3ccccc3[nH]2)C1 2356312520 DLMORKCFINWIRD-HUUCEWRRSA-N 343.471 3.564 0 1 EHAF O=C(O)CCCC=C1C[C@@H]2C[C@H](O)[C@H](C=C[C@H](O)C3CCCC3)[C@@H]2C1 2356499440 DKLGLHQHLFISGJ-UEDWAMCQSA-N 348.483 3.682 0 1 EHAF Cc1cc(C)c(NC(=O)[C@H]2CCCC[C@@H]2C)cc1CN1CCOCC1 45245652 UZYWZYRCHHGYCC-KXBFYZLASA-N 344.499 3.900 0 1 EHAF COc1ccc(Cn2ccc3cc(OC)c(OC)c(OC)c32)cc1 95589806 LFAUCYYABGBRPX-UHFFFAOYSA-N 327.380 3.724 0 1 EHAF O=C1COc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 587523077 GWVKCAHJILSSAW-GOSISDBHSA-N 349.386 3.603 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCO[C@@H](C)C2)N1 587841715 NMZANRASDSYNPJ-YHAQOWFVSA-N 328.225 3.517 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COC2CCC2)N1 587811091 MPDOTBSXFBLARR-VFZGTOFNSA-N 328.225 3.733 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(C)cc4)c1)[C@@H](C2)C3=O 587429743 AMUWFLJLFHZCAS-UWJYYQICSA-N 346.386 3.678 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccn2)N1 587770291 ILEYISZXJNKLLH-QFYYESIMSA-N 335.220 3.781 0 1 EHAF NC(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587958746 JDYYZXAWLYBSMR-UHFFFAOYSA-N 327.387 3.920 0 1 EHAF Cc1oc(-c2ccsc2)nc1Cc1nc2cccc(C(=O)O)c2[nH]1 587026781 IGTIJLNDIMDGPQ-UHFFFAOYSA-N 339.376 3.877 0 1 EHAF Cc1[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C(=O)O 587527189 RJANQILZTDRXMB-INIZCTEOSA-N 339.391 3.915 0 1 EHAF Brc1ccc(-c2nc3c(Br)nccc3[nH]2)o1 587008825 YMHUHGOPHNPVAQ-UHFFFAOYSA-N 342.978 3.743 0 1 EHAF O=C1C[C@@]2(C[C@@H]3C[C@@H](C(=O)O)C[C@@H]3C2)Oc2c1ccc1c2CCCC1 587528505 AHXJCARCWHEARZ-CKPNERPTSA-N 340.419 3.790 0 1 EHAF C[C@H](Sc1ncccn1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586963294 ZJDPEBCMVPFYFM-LURJTMIESA-N 326.212 3.908 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(C(C)C)cc21 587402315 XBLDUXMRSBUOPF-HXUWFJFHSA-N 336.391 3.513 0 1 EHAF OCC1(C[C@@H]2CCCCO2)CCN(C/C=C/c2ccccc2)CC1 11662803 ZQOYMBFIUOAQRR-ZGBFETHSSA-N 329.484 3.734 0 3 EHAF CCOc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1 13492154 RQKDJNHEETXIKP-UHFFFAOYSA-N 347.374 3.645 0 1 EHAF CN1CCC(c2c[nH]c3ccc(NC(=O)C4CCCC4)nc23)CC1 13523748 ZWNFGXDUPNOZMG-UHFFFAOYSA-N 326.444 3.501 0 1 EHAF CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(Cl)cc1 169730684 YHJNZEZLDFZNKP-HOTGVXAUSA-N 345.782 3.726 0 1 EHAF COc1ccc(/C=C/c2cc(OC)c(OC(C)=O)c(OC)c2)cc1 1625613 GDHFPJWOVNLKQP-AATRIKPKSA-N 328.364 3.808 0 1 EHAF C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CCOC1=O 209369598 ZKUWHVKICYZVFY-LONLNUGOSA-N 330.424 3.566 0 1 EHAF CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1cccc(F)c1 427468 ITSLHTUINUQDCU-KXBFYZLASA-N 342.370 3.994 0 1 EHAF COc1cc2ncnc(N[C@H]3C[C@H]3c3ccccc3)c2cc1OC(C)=O 3815267 ZXXUUYKUUAWFJM-YOEHRIQHSA-N 349.390 3.532 0 1 EHAF C[C@@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 3972544 ISWUXQKIYIOEJI-VGVPKUIYSA-N 339.838 3.808 0 1 EHAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCCOC 4213988 JRINWKZOIABMSN-RTBURBONSA-N 346.471 3.853 0 1 EHAF Cc1ccc(C(OCCN2CCOCC2)c2ccc(C)cc2)cc1 103171594 CMZLWBAHCYKTEF-UHFFFAOYSA-N 325.452 3.742 0 1 EHAF CN1CCN2c3ccc(Cl)cc3C(Cc3ccccc3)=NC[C@H]2C1 28097315 HHJVIBOGXUWTMJ-KRWDZBQOSA-N 339.870 3.506 0 1 EHAF c1cc(CCO[C@@H]2CCCC[C@H]2N2CCOCC2)c2ccoc2c1 28653674 VBTPQGSUPRVQBS-UYAOXDASSA-N 329.440 3.635 0 1 EHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)C(=O)[C@H](O)[C@@]2(C)C(C)=CCC[C@@H]12 2356695660 QBTMVLQTZBMTNE-OPTDIUSFSA-N 334.456 3.746 0 1 EHAF Cc1cc(=O)c2c(o1)O[C@@H]1[C@H](CC[C@@H]3C(C)(C)C(=O)CC[C@]31C)C2 2356717628 CPKRFLHGFOUEQI-RFZLVVEASA-N 330.424 3.673 0 1 EHAF COc1c2ccoc2cc2oc(-c3ccc4c(c3)OCO4)cc(=O)c12 15251591 BKQQOWSJCUCPPA-UHFFFAOYSA-N 336.299 3.944 0 1 EHAF biogenic COc1cccc2c(NCc3ccccc3)nc(Nc3ncc[nH]3)nc12 219003204 GDXSKHHXHWOTIQ-UHFFFAOYSA-N 346.394 3.717 0 1 EHAF O=C(N[C@H]1COc2ncccc21)[C@H]1CCc2cc(Cl)cc(Cl)c21 144940773 RUYVBXHBGOCWLC-JSGCOSHPSA-N 349.217 3.668 0 1 EHAF Brc1cccc(-c2nnc3sc(-c4ccoc4)nn23)c1 96904282 VLFPJNJFSRTVCQ-UHFFFAOYSA-N 347.197 3.875 0 1 EHAF CCC(=O)NC[C@H]1CCc2ccc(OC)cc2N1Cc1ccccc1 473114664 OJGMZWDPMCTRRL-GOSISDBHSA-N 338.451 3.543 0 1 EHAF Cc1oncc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585257 CWJNFIYSOUAPKA-LPHOPBHVSA-N 337.331 3.566 0 1 EHAF O=C(COc1cc(F)ccc1F)n1nc2cc1Oc1ccc(F)cc1-2 587874119 QJIPLUFDRNXBKJ-UHFFFAOYSA-N 346.264 3.792 0 1 EHAF Cc1cncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587585696 GZTSWXKYJAAVRS-NQIIRXRSSA-N 347.370 3.973 0 1 EHAF COc1ccc(C)cc1NCCCc1nc2ccnc(Cl)c2[nH]1 587229394 WSVNGKNNFSZZCH-UHFFFAOYSA-N 330.819 3.973 0 1 EHAF CC(C)c1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cs1 587653777 KXLFZCQXDYHZAQ-UHFFFAOYSA-N 332.812 3.923 0 1 EHAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 587793885 LYCVHVBJUYSTOO-WJWGPLDTSA-N 325.181 3.508 0 1 EHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccnc(Br)c2[nH]1 587163559 MMNMMEADRBZAAF-CYBMUJFWSA-N 349.207 3.511 0 1 EHAF Cc1c(Br)cnc2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc12 587174471 PRGQIBYLPRWWNC-LBPRGKRZSA-N 348.175 3.844 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc3c1OCOC3)O2 587378744 DMVBVQKFGLLCCN-INIZCTEOSA-N 345.782 3.804 0 1 EHAF CCC[C@@H](O)[C@@]1(CCC)NCCc2cc3cccc(OC)c3nc21 963062139 ZXMVXULKZLOUPV-YLJYHZDGSA-N 328.456 3.546 0 1 EHAF Cn1ncc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c1C(F)(F)F 963114528 UPUMQGWRMIKHAC-DOMZBBRYSA-N 339.336 3.688 0 1 EHAF O=C1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1 208842867 WYUATOSBIIZTMQ-UHFFFAOYSA-N 340.814 3.973 0 1 EHAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@@](C)(O)[C@@H](O)CCC(C)=CCC1 2356422404 BOERTAMGLQYYOW-CMKODMSKSA-N 334.456 3.587 0 1 EHAF COc1cc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc(OC)c1OC 29237288 UUSGIZZJRRKUKZ-ZWKOTPCHSA-N 339.435 3.995 0 1 EHAF O[C@H]1CC[C@@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1 113135376 OKAUIWRBORRFHW-SHTZXODSSA-N 342.830 3.765 0 1 EHAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N)CC[C@@]54C)[C@@H]2CC[C@@H]13 2356487762 LFGPYDIPRZAYQB-UPNKYFOVSA-N 329.484 3.818 0 1 EHAF COc1cc(Cl)ccc1C(=O)Nc1cccc2c1CCN(C)C2 26734278 USSYTRCQZKPSRI-UHFFFAOYSA-N 330.815 3.589 0 1 EHAF Nc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1 34279807 IBIAUAYUNZFZJA-UHFFFAOYSA-N 327.391 3.689 0 1 EHAF Cc1ccccc1CNC[C@H](O)Cn1c2c(c3ccccc31)CCCC2 73166366 OWYBAYHJHUDXAO-IBGZPJMESA-N 348.490 3.979 0 1 EHAF CC(C)[C@@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2)n1 142118557 CUTPLPKYQGWUBC-HIFRSBDPSA-N 326.400 3.631 0 1 EHAF CC(C)[C@H]1OC(=O)[C@@H]1NC(=O)OC(C)(C)CCCCc1ccccc1 148818369 XRAXSDGTIALKGM-IAGOWNOFSA-N 347.455 3.854 0 1 EHAF Cc1nc(NC(=O)Nc2ccccc2)c2nn(-c3ccccc3)cc2n1 95583059 YPAFVDLUTOJDKC-UHFFFAOYSA-N 344.378 3.768 0 1 EHAF O=c1ccc2cnc(Nc3ccccc3)nc2n1[C@@H]1C[C@H]2CC[C@H]1C2 253738194 QAWADIWIAIIMDV-GRDNDAEWSA-N 332.407 3.896 0 1 EHAF OCc1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 586895158 RNECSWFKHFIOPK-UHFFFAOYSA-N 338.592 3.533 0 1 EHAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 587792483 IECRWKCXGMHQPV-UOWDBTKRSA-N 325.181 3.508 0 1 EHAF COCc1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534678 DPVUFZPRXKJURI-INIZCTEOSA-N 329.421 3.875 0 1 EHAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(=O)O)cc3[nH]2)s1 587014433 LSETZVSSYSUOSS-SECBINFHSA-N 331.397 3.791 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1F 587568306 HMDTWVRWMPKQLI-APWZRJJASA-N 337.306 3.629 0 1 EHAF COC(=O)C[C@H](C)Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587787954 YBOAXGYJEHPWQZ-CQSZACIVSA-N 338.407 3.884 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(S)c(OC)c1)[C@@H](C2)C3=O 587451056 IXGOQJIWTXVFSA-ORAYPTAESA-N 342.416 3.655 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(C34CCC(CO)(CC3)CC4)nc2c1 586895783 YPZKTAFZOGYVKV-UHFFFAOYSA-N 348.830 3.587 0 1 EHAF Nc1ccnc2[nH]c(COc3ccccc3C3SCCS3)nc12 587042886 IFGZEAFSWLPGHM-UHFFFAOYSA-N 344.465 3.598 0 1 EHAF CNc1c(F)cccc1-c1nc2c(C)c(Br)cnc2[nH]1 587135512 FIZMDUXJIKBOET-UHFFFAOYSA-N 335.180 3.877 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cncc3cnccc13)CC2=O 587491500 UAFPWYRDAWLBAJ-LJQANCHMSA-N 334.375 3.994 0 1 EHAF Oc1nncc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587164123 OEHFUXCWFNMIMU-XYOKQWHBSA-N 338.367 3.848 0 1 EHAF C[C@]1(c2cccc(NC(=N)N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509542 DGXWFPAVRISWCL-OAQYLSRUSA-N 349.434 3.751 0 1 EHAF Cc1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587772237 FCHGSBJMYVTJQX-JKYUHCHBSA-N 339.208 3.817 0 1 EHAF Cc1nn(C)cc1C(=O)c1c(C(F)(F)Cl)[nH]c2cccc(F)c12 587633539 GCNCLUBEYRPBEZ-UHFFFAOYSA-N 341.720 3.868 0 1 EHAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587238046 AJSMLOZYDNQXIQ-UHFFFAOYSA-N 336.729 3.961 0 1 EHAF O=C1CCC[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 586883722 GEIFAVUYWQCMLX-SSDOTTSWSA-N 342.624 3.991 0 1 EHAF O=Cc1cc(C=O)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525334 ODIRLCZOTONZRE-HXUWFJFHSA-N 334.371 3.897 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(F)c1 587571945 SKDWCAVMFJROTA-APWZRJJASA-N 337.306 3.629 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1[C@@H](C(=O)OCC)C1(C)C)CC2=O 587485333 VJQBDVNCDKEKQC-BBWFWOEESA-N 346.423 3.514 0 1 EHAF CCOC(=O)[C@@H]1[C@H](C)CC[C@]12NCCc1c(Cl)cc(Cl)cc12 963102659 DNSXJXGGBCLFCW-TYFHEEPYSA-N 342.266 3.944 0 1 EHAF COc1ccc2c(c1OC)[C@@]1(CC(C)(C)OC1(C)C)N(C)[C@@H](C)C2 962625237 LSRWRIQOAZEMOS-RNODOKPDSA-N 333.472 3.753 0 1 EHAF Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cnn(C(C)C)c2)C1 13594530 LYKFSUAMJRHABL-MRXNPFEDSA-N 331.485 3.929 0 3 EHAF O=C(O)c1ccc2c(c1)nc(NCCN1CCCC1)c1ccsc12 167747023 DIBCAQNJNISCLH-UHFFFAOYSA-N 341.436 3.655 0 1 EHAF C[C@@H](NC(=O)N1C(=O)C[C@@H]1Sc1ccc(F)cc1)c1ccccc1 1857542571 NSIPFBFYAKEYEQ-PXAZEXFGSA-N 344.411 3.947 0 1 EHAF NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(C(=O)O)c1 1857543541 JXZJEOCXQIMIJO-UHFFFAOYSA-N 331.371 3.742 0 1 EHAF O=C(CCCCCc1cccc(C(F)(F)F)c1)N1CCOC1=O 1857762107 FCUGMUSKRFVBGM-UHFFFAOYSA-N 329.318 3.787 0 1 EHAF CNC(=O)c1cccc(NC(=O)OCc2ccc3ccccc3c2)c1 25905 CYABFXOTXZNMFT-UHFFFAOYSA-N 334.375 3.948 0 1 EHAF CC(=O)N(c1ccccc1)C1(C(=O)NC2CCCC2)CCCCC1 246611 KUZKOQXYMACPHE-UHFFFAOYSA-N 328.456 3.801 0 1 EHAF CC=C1C(=O)O[C@@H]2CC(C)=C([C@H](C)CCCC(C)=O)[C@H](OC(C)=O)[C@@H]12 2356353914 UKRMILBDFWSESA-KSSRHRQWSA-N 348.439 3.522 0 1 EHAF CCc1nc(SC)ncc1C(=O)N[C@@H](C)CCc1ccccc1 6938398 IZFPASLLZPYFAL-ZDUSSCGKSA-N 329.469 3.512 0 1 EHAF COC(=O)[C@@H](c1ccccc1C(F)(F)F)N1CCc2ccccc2C1 103268940 JIIAPWBCIPYVRW-QGZVFWFLSA-N 349.352 3.978 0 1 EHAF S=c1n(-c2ccccc2)nnn1-c1ccccc1Br 53243357 GOYXRSDIPBVGBQ-UHFFFAOYSA-N 333.214 3.550 0 1 EHAF O=C1[C@@H](c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2 26273177 LQRUHPTVKTXHPR-LJQANCHMSA-N 339.410 3.543 0 1 EHAF O=C1OC[C@H](COC(=O)c2ccccc2)C=C1c1ccc(Cl)cc1 64550016 DVCQSVAAVKMPIP-ZDUSSCGKSA-N 342.778 3.753 0 1 EHAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)C3=C(CC[C@H]21)CNC3=O 2356787222 BICKYNKDFFMMHJ-QPDGGIQXSA-N 331.456 3.520 0 1 EHAF COc1cc(-c2ccc3ccccc3c2)ccc1[C@]1(C)OC(=O)NC1=O 71332906 KVWWPJAEYKWOHZ-NRFANRHFSA-N 347.370 3.997 0 1 EHAF CN(C[C@@H]1C[C@@]1(CO)c1ccccc1)C12CC3CC(CC(C3)C1)C2 34093339 AETYSQAVZQJJIL-GNXLQELYSA-N 325.496 3.837 0 1 EHAF OC1CCC(Nc2nccc3[nH]c(-c4ccccc4Cl)nc23)CC1 74386795 OFOBQTBBQPTQFQ-UHFFFAOYSA-N 342.830 3.994 0 3 EHAF O=C(Nc1nnc(-c2cccs2)o1)NC12CC3CC(CC(C3)C1)C2 96271170 KHVOWDVVVDBYMB-UHFFFAOYSA-N 344.440 3.888 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc3[nH]c(=N)oc13)CC2=O 587473434 UUOJHARXCPBCHZ-INIZCTEOSA-N 338.363 3.605 0 1 EHAF Clc1cccc(C2(c3nc4cncc(Br)c4[nH]3)CC2)n1 587084097 GFSOZQLRJNTUAC-UHFFFAOYSA-N 349.619 3.849 0 1 EHAF Cc1nccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988235 NUBVNYUOUDKJRF-UHFFFAOYSA-N 339.354 3.917 0 1 EHAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586911354 RPVDBBFEBYQFJV-ZCFIWIBFSA-N 348.708 3.924 0 1 EHAF C[C@H]1C[C@@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657286 XXFJAWSFVLGJMG-JQWIXIFHSA-N 340.329 3.638 0 1 EHAF O=C1CCc2cc3nc([C@@H]4SCCc5sccc54)[nH]c3cc2N1 587036774 MYBZNUTZFFGBGP-MRXNPFEDSA-N 341.461 3.888 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(CCCCCCC(=O)O)[C@@H](C2)C3=O 587446628 CMXAPLLOAGAPBY-LIRRHRJNSA-N 332.396 3.627 0 1 EHAF Clc1c[nH]c2nc(-c3cc4ccc(Br)cn4c3)nc-2n1 587006754 RKJIWHAYHWKMLM-UHFFFAOYSA-N 348.591 3.640 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccoc1Br)[C@@H](C2)C3=O 587416968 HCDFQFCJCXWNFP-HZMBPMFUSA-N 335.153 3.539 0 1 EHAF C[C@]1(CC2COC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356989 LUNJNCXZZRQBHY-AZUAARDMSA-N 342.366 3.685 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Cl)cnc2[nH]1 586918041 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CCCc1c(O)ccc2c1O[C@H](c1c(N)ccnc1Cl)CC2=O 587460831 KHUSIJPKEDFSDZ-AWEZNQCLSA-N 332.787 3.682 0 1 EHAF C[C@H](CCC(=O)O)Cc1nc2cc(Br)c(F)c(F)c2[nH]1 587963311 SKMIQBNECPTAJD-ZCFIWIBFSA-N 347.159 3.647 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2N)N1 587746844 IFPSMCYGCMSCEA-QGHHPUGFSA-N 349.247 3.968 0 1 EHAF O=C1c2ccccc2-c2cc(Cc3cnccn3)nc3ccc(O)c1c23 586987805 GPYPCKXCTFVBRW-UHFFFAOYSA-N 339.354 3.533 0 1 EHAF COc1ccc(C)cc1-c1nc2cccc3c2c(c1CC(=O)O)CC3 587214889 WRTUYGZSHXRFKI-UHFFFAOYSA-N 333.387 3.945 0 1 EHAF COc1c(F)cc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587382893 VLMJHEQOORKVSW-GFCCVEGCSA-N 347.361 3.831 0 1 EHAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 586907019 ITRWCJAUTJHPCR-MRVPVSSYSA-N 335.285 3.558 0 1 EHAF Cc1c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)oc2c1[C@H](O)CCC2 586905598 VFIZJYPWLNIMER-SNVBAGLBSA-N 337.301 3.915 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CP(=O)(OC)OC)CC2=O 587487140 NARWSATZTPXAAH-INIZCTEOSA-N 342.328 3.555 0 1 EHAF CCc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587008216 KHBLKOGPDZUGDC-UHFFFAOYSA-N 342.200 3.598 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cccnc1 587873224 WDCJYWITTSEIEO-UHFFFAOYSA-N 342.399 3.728 0 1 EHAF C[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354829 RSTSJQMEQXSBDA-PKOBYXMFSA-N 344.338 3.514 0 1 EHAF CC(=O)Nc1ncccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514889 XILVVPHCJJEMMI-SFHVURJKSA-N 336.391 3.625 0 1 EHAF CC[C@@H]1CCCCN1C(=O)C[C@]1(C)NCCc2c1sc(C)c2C 963035109 YZVJIAMPKYSETM-BEFAXECRSA-N 334.529 3.907 0 1 EHAF C[C@H]1CC[C@]2(CO)C(CO)=CCC[C@@H]2[C@@]1(C)CC[C@@H](C)CC(=O)O 13402922 RPHNSADJHUEKRG-UPSZCFJUSA-N 338.488 3.621 0 1 EHAF N=C(N)c1ccc2[nH]c(-c3cccc(Br)c3O)cc2c1 13863700 YBSXFYTXULBNOE-UHFFFAOYSA-N 330.185 3.587 0 1 EHAF Clc1ccc(N2CCN(CCc3nc4ccccc4o3)CC2)cc1 169350282 YAYOCPNPBHLJQS-UHFFFAOYSA-N 341.842 3.846 0 1 EHAF CC[C@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CCCC(=O)O 169622105 XFYXZNAYFJZWSH-SEHBETEGSA-N 334.456 3.934 0 1 EHAF CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC[C@](C)(O)/C=C\2OC1=O 166393535 ISOHZXFJJWEPNL-VMOCXLGFSA-N 332.440 3.953 0 1 EHAF N=c1ncc(-c2cncc(OCc3ccc(Cl)cc3Cl)c2)c[nH]1 1857764065 MGFUYBDYJVNDEE-UHFFFAOYSA-N 347.205 3.837 0 1 EHAF COc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1F 3814654 RSYPHTZEXAJUHX-UHFFFAOYSA-N 347.411 3.576 0 1 EHAF O/N=C(\NC(=S)Nc1cc(Cl)ccc1Cl)c1ccccn1 4322719 YNEIOYIXFDWENY-UHFFFAOYSA-N 341.223 3.511 0 1 EHAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@@H](c2ccccc2O)O3)O1 13380054 CTXOXNJBBDQWCE-HNNXBMFYSA-N 338.359 3.989 0 1 EHAF biogenic CC(C)OCCCNc1ncnc2onc(-c3ccc(F)cc3)c12 20574450 NHUFIWBZCGQRMT-UHFFFAOYSA-N 330.363 3.651 0 1 EHAF O=C(NCCN1CCCCC1)[C@@H](c1ccccc1)C1CCCCC1 26379596 KFLCQGDXXUKTRK-FQEVSTJZSA-N 328.500 3.953 0 1 EHAF CCCc1c(OCCCSCCC(=O)O)ccc(C(C)=O)c1O 27898668 OPSWNVSEUPWARX-UHFFFAOYSA-N 340.441 3.524 0 1 EHAF CC1=C[C@H]2O[C@@H]3OC(=O)[C@@]4(C)CCC[C@]3([C@H]1CC(=O)c1ccoc1)[C@@H]24 40938712 WRANWQZSRYWETI-VLIYOEBASA-N 342.391 3.503 0 1 EHAF biogenic,in-vitro O=C(NC[C@H](c1ccc(F)cc1)n1ccnc1)c1cc2ccccc2o1 53229549 CNWPTKQRIRDBPW-QGZVFWFLSA-N 349.365 3.788 0 1 EHAF CC(C)c1csc(-c2nnc3n2N[C@H](c2ccc(O)cc2)S3)n1 64448013 BMVWWKROXZKGJS-ZDUSSCGKSA-N 345.453 3.579 0 1 EHAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C2(C)C 72111309 FLRTUTCEBWFJHR-UHFFFAOYSA-N 334.419 3.784 0 1 EHAF CC(C)NC(=O)CNc1nc(-c2cccc(C(F)(F)F)c2)cs1 82192044 TWHCMNNOZJIRJL-UHFFFAOYSA-N 343.374 3.765 0 1 EHAF O=C1Nc2ccccc2/C1=C\c1c(-c2ccccn2)nc2sccn12 84730100 FPAFBEIWRSKAPG-ACCUITESSA-N 344.399 3.951 0 1 EHAF O=c1cc(-c2ccc(-c3ccco3)cc2)sc(N2CCOCC2)c1 101076449 QWIYDICJMVICDA-UHFFFAOYSA-N 339.416 3.872 0 1 EHAF C[C@@H]1C[C@@H]2CCC[C@H]2[C@@]2(O1)C(=O)Nc1cccc(Br)c12 254047290 PPUCNCZUATVEEY-IDYSPNNHSA-N 336.229 3.822 0 1 EHAF O=C([C@H](Cc1ccccc1)c1ccccc1)N1CCN2CCCC[C@H]2C1 254092529 KDGYKSGVNUMKPP-FCHUYYIVSA-N 348.490 3.710 0 1 EHAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CN=O)CC[C@]12O 261102668 GRYREDDLNNCBBT-UYGJGQANSA-N 335.488 3.888 0 1 EHAF COc1ccc(-c2ccsc2)cc1S(=O)(=O)NC1CCCC1 473112363 DQWIVYUJZVLZCQ-UHFFFAOYSA-N 337.466 3.645 0 1 EHAF Nc1ccc(-c2ccc3nc(CCc4cccc(O)c4)[nH]c3c2)cc1N 586896093 JTOPBWCVGGZTNU-UHFFFAOYSA-N 344.418 3.885 0 1 EHAF C[C@H]1CCO[C@H](c2nc3cc(Br)cc(C(=O)O)c3[nH]2)C1 586917269 OQUKIIFJYMWPAJ-CPCISQLKSA-N 339.189 3.511 0 1 EHAF Cc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Cl 586923943 AYQYYHFAPDOQSJ-FPLPWBNLSA-N 332.812 3.969 0 1 EHAF COC(=O)Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097337 LNVLFYDPCDGGOZ-UHFFFAOYSA-N 331.371 3.779 0 1 EHAF Cc1cnc(Cl)c2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc12 587124511 BBTMCGNSSFJSBV-UHFFFAOYSA-N 333.741 3.860 0 1 EHAF Oc1c(Br)ccc2nc(CCc3ccccc3F)[nH]c12 587148707 FBXHWLADLSGALQ-UHFFFAOYSA-N 335.176 3.955 0 1 EHAF Clc1ncc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2n1 587231934 INSFLIZMOGKQQL-UHFFFAOYSA-N 339.786 3.556 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cn1)[C@@H](C2)C3=O 587424053 WUHBTIGATLWVSH-MEDUHNTESA-N 335.281 3.598 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1nc4c(s1)CCCC4)[C@@H](C2)C3=O 587454072 UTJMUZJUFWAXGR-BUXKBTBVSA-N 341.432 3.693 0 1 EHAF Cc1csc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587614474 SQCMJZHHNVEBFK-YOEHRIQHSA-N 339.372 3.860 0 1 EHAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587769982 HFAHQYKGGOIXDK-QLJPJBMISA-N 335.220 3.915 0 1 EHAF Cc1n[nH]c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587800601 BUTBHOGKRGHWAM-NZFNHWASSA-N 338.224 3.552 0 1 EHAF C[C@H](O)CCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587835780 YAOIIPDYYKKIBI-OUJBWJOFSA-N 330.241 3.715 0 1 EHAF c1ccc(OCc2ccc([C@H]3NCCc4nc5ccccn5c43)o2)cc1 962982701 JGFHFXZOJCMLNH-HXUWFJFHSA-N 345.402 3.741 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)[C@H](OC)c1ccccc1 963607771 KEGQCFITCIKJHV-DLPLYFIVSA-N 341.451 3.841 0 1 EHAF N#CN1CCC[C@@H](NC(=O)Nc2cccc(Oc3ccccc3)c2)C1 1857584503 MQCRFGXSNFOGHX-MRXNPFEDSA-N 336.395 3.546 0 1 EHAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)CC2=C(C)C(=O)O[C@H]2C1 2356484983 OFDXQVMWNHHDDC-YRNPXERVSA-N 334.456 3.683 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@]2(C)[C@@H]1C 2356513394 XXBKFKJZAXTGFB-TWRCCJGTSA-N 332.440 3.953 0 1 EHAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1ccc2c(ccn2C)c1 2356762233 IXJQBERGWKZQMS-ICSRJNTNSA-N 339.483 3.515 0 1 EHAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCC[C@H](C)[C@H](O)CC(=O)O 2356874081 YSGUUARLOQGQKX-UHOFOFEASA-N 326.433 3.632 0 1 EHAF O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(Cc2ncc[nH]2)C1 11817311 SZJGJDCYJAXUEA-KRWDZBQOSA-N 345.446 3.756 0 3 EHAF CN1CCC(=O)N([C@H](CSc2ccccc2)c2ccccc2)CC1 12474587 MMBVRZOCPGIYRT-LJQANCHMSA-N 340.492 3.684 0 3 EHAF COC(=O)[C@@H](NC(=O)N(C1CCCCC1)C1CCCCC1)C(C)C 538206 STEHQEOMYUNOAE-KRWDZBQOSA-N 338.492 3.861 0 3 EHAF OCCNc1ncnc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12 6475919 MPJYGQHMIFDQIN-UHFFFAOYSA-N 330.391 3.696 0 1 EHAF in-vivo Cc1cc(-c2ccc(C)c(S(=O)(=O)NC3CCCCC3)c2)on1 8600419 ADWITKXUWDOVCU-UHFFFAOYSA-N 334.441 3.569 0 1 EHAF O=S(=O)(CCCCN1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1 58558323 MTIXJHOVOPGZFL-ROUUACIJSA-N 335.513 3.753 0 1 EHAF CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1NC1CCCC1 9286702 ZYBXBSZDLSZFRI-UHFFFAOYSA-N 332.469 3.815 0 1 EHAF FC(F)(F)c1ccc2nc([C@@H]3CCN(Cc4cccnc4)C3)[nH]c2c1 51076744 NAQRYLBQJWTGAH-CYBMUJFWSA-N 346.356 3.966 0 1 EHAF biogenic O[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2cncc21 27190159 ZBYUCNDWIVKTRN-QGZVFWFLSA-N 327.746 3.507 0 1 EHAF CN1[C@H]2CC[C@@H]1[C@@H]([C@H](O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 28763178 FSULAQVXMVICFX-QRTUWBSPSA-N 333.781 3.830 0 1 EHAF COc1ccc2c(c1)Cc1c-2nc2cc(OC)c(OC)c3c2c1CCN3 27190877 PMLCCTDOHWROIB-UHFFFAOYSA-N 348.402 3.800 0 1 EHAF CC[C@H](O)CCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(CO)=C[C@@H]21 29234546 TVERZASQEULZFR-GVDBMIGSSA-N 346.467 3.679 0 1 EHAF c1nc(NC[C@@H]2CCCO2)c2ccc(-c3ccc4c(c3)OCO4)cc2n1 38142940 AMGKPWQGTQNUJA-HNNXBMFYSA-N 349.390 3.616 0 1 EHAF C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@@H](CO)CCO 38493519 BIRYTQFFNQPJBQ-CTZQRVGRSA-N 338.488 3.621 0 1 EHAF biogenic,in-vitro C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)c(Br)c1 72104605 PZGSQYYQQYLHSL-JOYOIKCWSA-N 325.202 3.549 0 1 EHAF O=C(C[C@H](C(=O)Nc1ccccc1)N1CCCCC1)c1ccccc1 45394515 DEYAXFNTLXBHRA-LJQANCHMSA-N 336.435 3.753 0 1 EHAF Cc1ccnc(N2C(=O)CS[C@H]2CC23CC4CC(CC(C4)C2)C3)n1 40980416 SLIJYYCQWSWZDP-QBNKABOXSA-N 343.496 3.797 0 1 EHAF CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@H]2CN(CC3CC3)CC[C@@H]2C1 84707591 MNGWTAUWWMTWIH-IRLCGGMMSA-N 342.483 3.652 0 1 EHAF C[C@@]12CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]1C=CC=C2C(=O)O 238773978 NKKNCIDSGPSJTA-UKSSEWCLSA-N 342.391 3.887 0 1 EHAF CNC(=O)Cc1coc2cc(OCc3cccc(Cl)c3)ccc12 95585757 LTVKFFPWIZIXIO-UHFFFAOYSA-N 329.783 3.954 0 1 EHAF CC(C)(C(=O)O)c1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 143513275 ZWVDZTLAIKVFGU-UHFFFAOYSA-N 345.826 3.675 0 1 EHAF CN(Cc1ccc(CN(C)Cc2cccnc2)cc1)Cc1cccnc1 653822655 NCNATKWPOFAPSI-UHFFFAOYSA-N 346.478 3.741 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCOC2)N1 587834659 MFDFGBULLALEEB-OSQNNJELSA-N 328.225 3.590 0 1 EHAF CC[C@@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354238 PZGTXYJXJLCVED-HKUYNNGSSA-N 344.338 3.514 0 1 EHAF Cc1scnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587856748 XQCFIIICTQPMGO-UOWDBTKRSA-N 341.249 3.977 0 1 EHAF COc1ccc(-c2nc3cncc(Br)c3[nH]2)c(OC)c1C 587788319 XNLNEQLYHNRMBB-UHFFFAOYSA-N 348.200 3.713 0 1 EHAF Clc1ccc(C2=C[C@H](c3nc4cc5c(cc4[nH]3)OCO5)ON2)cc1 587076500 MNOCQODAHYKLTO-MRXNPFEDSA-N 341.754 3.562 0 1 EHAF COc1ccc(C=O)c(-c2nc3c(F)cc(Cl)cc3[nH]2)c1OC 587786605 LZVSEYMJFZQQTA-UHFFFAOYSA-N 334.734 3.852 0 1 EHAF O=C(O)/C=C/C=C/c1nc2c(Cl)cc(Br)cc2[nH]1 587966949 ZRJMGGCCVKINBU-ZPUQHVIOSA-N 327.565 3.633 0 1 EHAF N=C(N)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587242838 USLSASJLFKBCBQ-UHFFFAOYSA-N 343.390 3.963 0 1 EHAF Cc1cncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587776609 YHEYCRZNGGWSPY-QFYYESIMSA-N 335.220 3.915 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCOc4cc(Cl)ccc41)[C@@H](C2)C3=O 587423600 WFQWKSPTQAITHI-LIRRHRJNSA-N 342.778 3.774 0 1 EHAF COc1nccc2nc(-c3cc(F)c(C)cc3Br)[nH]c12 587137606 CHNRBHJNVIWWMB-UHFFFAOYSA-N 336.164 3.844 0 1 EHAF Fc1c(F)c(-c2nc3cc4c(cc3[nH]2)OCO4)c(F)c(F)c1S 587135372 YOYMPSWUUROETG-UHFFFAOYSA-N 342.273 3.804 0 1 EHAF O=C1c2ccc(O)cc2O[C@@]2(CCCOCC2)[C@@H]1c1ccc(F)cc1 587355163 CMFDZAMKAQERIB-UYAOXDASSA-N 342.366 3.830 0 1 EHAF CCc1nn(CC)c2c1[C@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587392941 XVIDMDBXWQXMPM-FQEVSTJZSA-N 339.439 3.553 0 1 EHAF C[C@]1(c2nc3ccnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587159108 ZMCGMVBFLCRVCJ-MRXNPFEDSA-N 330.750 3.542 0 1 EHAF C[C@@]1(c2nccnc2Cl)NCCc2c(Cl)cc(Cl)cc21 963101430 AXAQFTPYEOMRAU-CQSZACIVSA-N 328.630 3.846 0 1 EHAF Cc1sc2c(c1C)CCN[C@H]2c1nc(Br)cs1 963014814 VIOZTPHLKANYPI-SNVBAGLBSA-N 329.288 3.819 0 1 EHAF COc1ccc2c(c1OC)[C@H](c1ccnn1CC(C)C)N(C)[C@H](C)C2 962615925 APCVRBSIFYMOJQ-KUHUBIRLSA-N 343.471 3.522 0 1 EHAF COc1ccc2c(c1)[C@](C)(Cc1ccnc(OC)c1)N(C(C)C)CC2 962090903 JKANGRMTDBBPGM-NRFANRHFSA-N 340.467 3.823 0 1 EHAF NC(=O)N1CCc2sccc2[C@@H]1c1ccc(N2CCCCC2)s1 962701325 AOJTUCMTBFFUJV-MRXNPFEDSA-N 347.509 3.826 0 1 EHAF Cc1cc2c(cc1F)[C@]1(C[C@H](OC(C)(C)C)[C@H]1n1cccn1)NCC2 962095822 XNGXMLMEUKANBH-NSHGMRRFSA-N 343.446 3.500 0 1 EHAF COc1cc(Nc2nc(-c3ccccc3)n[nH]2)ccc1-c1cnco1 13860199 RVYOYPAKDVQWTP-UHFFFAOYSA-N 333.351 3.879 0 1 EHAF CN1CCN([C@@H]2Cc3ccc(F)cc3Sc3ccccc32)CC1 19802272 PICQGXBCTSFNCV-QGZVFWFLSA-N 328.456 3.822 0 1 EHAF CCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)O[C@@H](C)CC3=O 29133562 VOCPUOQHFWTXRO-UWVGGRQHSA-N 326.348 3.503 0 1 EHAF CC(C)Cc1ccc([C@@H](C)C(=O)CN2C(=O)c3ccccc3C2=O)cc1 29480923 TZPABJVPAMBQMQ-OAHLLOKOSA-N 349.430 3.854 0 1 EHAF COc1ccc2nc(C)c3c(C)nc(CCc4ccccc4)n3c2n1 49110439 KPRLWRVEXAZMEW-UHFFFAOYSA-N 332.407 3.688 0 1 EHAF CNCC[C@H](c1ccc2ccccc2c1)n1nnc(-c2ccccc2)n1 58581369 YOKLHHAUYHPONI-HXUWFJFHSA-N 343.434 3.692 0 1 EHAF COc1ccc(O)c(-c2cc(-c3ccccc3Cl)nc(N)n2)c1 73274715 OGLNJIWEATXUHK-UHFFFAOYSA-N 327.771 3.760 0 1 EHAF N=C(Nc1ccc2c(c1)CCN2CCN1CCCC1)c1cccs1 95558667 PALXFAOADSCVKN-UHFFFAOYSA-N 340.496 3.644 0 1 EHAF CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 100878611 FGDFFHLIMDMCJI-JHRQTXSFSA-N 334.500 3.566 0 1 EHAF endogenous,in-man CCCCN(c1sc2ccccc2c1[C@H](C)O)S(=O)(=O)CC 115232069 BCBUUPCUUSMGSU-LBPRGKRZSA-N 341.498 3.911 0 1 EHAF Clc1ccc(N2C[C@@H]3C[C@@H]2CN3Cc2c[nH]c3ncccc23)cc1 169292910 YOODWDNGWLMMGG-DLBZAZTESA-N 338.842 3.679 0 1 EHAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]1C 252022874 XSTZSCYENOCESX-USJZOSNVSA-N 328.456 3.677 0 1 EHAF O=C(NCc1nc2cnc3ccccc3c2[nH]1)c1cc2c(s1)CCC2 587035080 NREMMCXBUWJJPS-UHFFFAOYSA-N 348.431 3.591 0 1 EHAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(F)ccc2[nH]1 587039647 UIJKRSXTCBQCAQ-UHFFFAOYSA-N 335.364 3.568 0 1 EHAF COc1c(F)ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1N 587133687 ZPZATNXCVVCRCF-UHFFFAOYSA-N 327.146 3.662 0 1 EHAF Fc1ccc2[nH]cc(Cc3nc4c(Br)ccnc4[nH]3)c2c1 587175233 UAPFIAJSHXQMCE-UHFFFAOYSA-N 345.175 3.932 0 1 EHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)c(F)cc3[nH]1)C2 587247498 SNWYCMPQWSKINJ-SFHVURJKSA-N 345.805 3.707 0 1 EHAF CCCCOc1cc2nc([C@H](N)C3CC3)[nH]c2cc1Br 587256098 YGVKRDKUGVNDMA-CQSZACIVSA-N 338.249 3.914 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1occc1Br)O2 587376768 KHESHXRFSOMYDU-HNNXBMFYSA-N 336.185 3.813 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1OC(F)(F)O3)O2 587380966 DLBGJMPTAUDPKJ-CQSZACIVSA-N 333.290 3.605 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC(C)(C)NC(=O)OC(C)(C)C)O2 587386337 IKGMOSPNUKWVNO-LBPRGKRZSA-N 348.443 3.604 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](C)COCc1ccccc1)O2 587399922 KVLUTTKEVNAUQY-KUHUBIRLSA-N 325.408 3.764 0 1 EHAF CC(C)Nc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587511209 JHWHNKFSRAFFKU-SFHVURJKSA-N 337.423 3.882 0 1 EHAF COC(=O)C[C@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587524279 LIIQEHAJDZBUME-XCLFUZPHSA-N 328.408 3.633 0 1 EHAF C[C@@H]1Nc2ccccc2C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527082 SWAQJCSFLNDFEI-XMHCIUCPSA-N 347.414 3.966 0 1 EHAF Cn1cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576758 KLKWDVRTDMEVRO-FXAWDEMLSA-N 335.359 3.608 0 1 EHAF CO[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601204 RLGRDUYCOGPUJC-HLIPFELVSA-N 340.375 3.682 0 1 EHAF Cc1c(-c2cnn(C)c2C)[nH]c2c1c(Br)cc1n[nH]cc12 587622825 HPSYKLOMVBGVCO-UHFFFAOYSA-N 344.216 3.824 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)F)N1 587703799 GXROPCXXZIZWCE-UPONEAKYSA-N 326.131 3.900 0 1 EHAF C=Cn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587762377 YEEFVFTUYYFUPX-PSLIRLAXSA-N 336.208 3.509 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2)N1 587833739 PCEOTWWERROTAA-ABKXIKBNSA-N 336.204 3.917 0 1 EHAF C[C@@]1([C@@]2(C)CCCO2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962704734 LNXHPPDDAQYACF-ZMYBRWDISA-N 335.488 3.974 0 1 EHAF O=C(C(F)F)[C@@H]1CCC[C@]12NCCc1c(Cl)cc(Cl)cc12 963124492 QOMCDYTWLUMDLI-BONVTDFDSA-N 334.193 3.969 0 1 EHAF Oc1ccc2c(c1)[C@H](c1ccc(Br)c(F)c1F)NCC2 963329606 PKRZVJWBLPDEGM-HNNXBMFYSA-N 340.167 3.668 0 1 EHAF COc1ccc2c(c1)[C@@](C)(CCCc1ccc(N(C)C)cc1)C(=O)N2 1772634817 YYSAZOBZJNCLGU-OAQYLSRUSA-N 338.451 3.994 0 1 EHAF Cc1c[nH]c2ncc(-c3cccc(NC(=O)/C=C/CN(C)C)c3)cc12 1772652995 POFBZQXDWPOYEW-VMPITWQZSA-N 334.423 3.595 0 1 EHAF COCCCN1CCC2(CC1)Cc1ccc(C(F)(F)F)cc1N2C 1911582247 QJZCDMFKEXXJNS-UHFFFAOYSA-N 342.405 3.569 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@@H]([C@@]32C)[C@]1(C)CC[C@@H]1COC(=O)C1 2356437019 DUNXJKRKMIDKNP-DGYWYYSSSA-N 332.440 3.644 0 1 EHAF O=C1OC[C@H]2CCN(CC3CCCCC3)Cc3ccc(F)cc3N12 2356651517 QFSHJMREGNKKNB-QGZVFWFLSA-N 332.419 3.937 0 1 EHAF CC(C)C1=C[C@@H]2C(=O)C[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@]2(O)CC1 2356654278 ZPVSHWFBDPCXIO-ZTTMTSROSA-N 334.456 3.580 0 1 EHAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@]12O)[C@@]3(C)[C@@]12CCC[C@@H]1CC[C@H]4C2 2356841389 NIBKGJSRUQHHMN-IVZRFRNUSA-N 344.495 3.584 0 1 EHAF O=C(NN1CCOCC1)c1c(-c2ccccc2)sc2ccccc12 61948009 ABYNJUIKHUKRQG-UHFFFAOYSA-N 338.432 3.545 0 3 EHAF O=C(O)[C@@]1(C(F)(F)CCCCCOc2ccc(Cl)cc2)CO1 1537403 NHILGKPNUSFGDP-CQSZACIVSA-N 334.746 3.768 0 1 EHAF CN(C)CCS[C@@H]1c2ccccc2COc2ccc(C(=O)O)cc21 3794642 REZNTTJXTCGLCG-GOSISDBHSA-N 343.448 3.661 0 1 EHAF CN(C)c1ccc(-c2nc(NC3CCNCC3)c3ccccc3n2)cc1 4258485 APXUEUHXKWJFSM-UHFFFAOYSA-N 347.466 3.527 0 1 EHAF COCc1cc(O)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 8206279 AFFOVCVXSAHTOR-UHFFFAOYSA-N 331.375 3.915 0 1 EHAF COc1ccc(COc2ccc3nc4ccc(=O)cc-4oc3c2)cc1 115244780 PSOPUJORTBRJMH-UHFFFAOYSA-N 333.343 3.880 0 1 EHAF CCN(CC)C(=O)[C@H]1CCCc2c1c1c(OC)cccc1n2CC[18F] 101468220 ZVDVQPLDTTXLKI-LSKWOKDISA-N 345.449 3.908 0 1 EHAF CCCCCC/N=c1\sc(C(=O)OCC)c(N)n1-c1ccccc1 103179536 VMQZUIDACRWQRX-ZZEZOPTASA-N 347.484 3.779 0 1 EHAF N=C1Nc2ccccc2NC=C1C(=O)Nc1nc2ccccc2s1 45283389 AWFVAFBMGNTHAE-UHFFFAOYSA-N 335.392 3.634 0 1 EHAF CCCCC(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 42921583 AGEHOAYDTWSQIS-UHFFFAOYSA-N 325.387 3.971 0 1 EHAF C[C@H](O)Cc1nsc(Nc2cc(C(F)(F)F)ccc2Cl)n1 82052293 AVWNSCYJCYGZIV-LURJTMIESA-N 337.754 3.877 0 1 EHAF O=C1c2ccccc2[C@H](c2nc3ccccc3[nH]2)N1c1ccccn1 199396770 FFQHGAJDAZMKGN-GOSISDBHSA-N 326.359 3.708 0 3 EHAF Cn1cc(-c2cc(CO)ccc2Oc2ccccc2)c2cc[nH]c2c1=O 146294205 SFDROCHFRBBUBF-UHFFFAOYSA-N 346.386 3.818 0 1 EHAF CC(C)(C)CC(=O)Nc1nn2cccnc2c1-c1ccc(F)cc1 95563528 PPOGGVLGMKLLBA-UHFFFAOYSA-N 326.375 3.910 0 1 EHAF CC[C@H]1CN(C(=O)c2ccco2)CC[C@@H]1CC(=O)Nc1ccccc1 25427232 OBVBNLAYESNFSI-JKSUJKDBSA-N 340.423 3.797 0 1 EHAF biogenic CN1CCc2c3n(c4cc(Br)ccc24)[C@H](O)CCC[C@@H]31 31853420 SEKCREXSGCGPFK-DZGCQCFKSA-N 335.245 3.608 0 1 EHAF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C)CCOCC2)N1 587834958 NLMAJJOFVJRGOQ-ZUZCIYMTSA-N 342.252 3.980 0 1 EHAF CC(C)(C)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2n1 587051239 BFVHEJGVRHTPOU-GFCCVEGCSA-N 344.846 3.857 0 1 EHAF COC(=O)[C@@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106597 JVCKZFARGJNUEN-CQSZACIVSA-N 329.355 3.649 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O 587437502 GEZHQSPNBZSEML-VBKZILBWSA-N 335.359 3.674 0 1 EHAF N=c1[nH]cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)nc-2[nH]1 587163374 IHLKJXKURNZUQL-XYOKQWHBSA-N 337.383 3.507 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c[nH]cc12 587590657 SXKCBBAGYQEDRG-XLIONFOSSA-N 333.343 3.524 0 1 EHAF CCOC(=O)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586989228 BXNXCWITVSHIDT-UHFFFAOYSA-N 333.343 3.637 0 1 EHAF Nc1nc(Cl)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502426 VLOATMRKEHUHDM-OAHLLOKOSA-N 328.799 3.903 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CCC)(C1CCNCC1)CC2=O 587478729 BLNYHUJNXLHAGT-HXUWFJFHSA-N 331.456 3.848 0 1 EHAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3ccccc3cc2[nH]1 587225348 QBHYGJWFZRGEGK-AWEZNQCLSA-N 345.402 3.800 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccccc3)nn1C)O2 587389378 AJTJEWRAGOSXNZ-LJQANCHMSA-N 333.391 3.684 0 1 EHAF Clc1cnn(COc2cccc(-c3nc4cnccc4[nH]3)c2)c1 587081471 ABTHOGGOTDSNEO-UHFFFAOYSA-N 325.759 3.511 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4[nH]c(O)cc4c1)[C@@H](C2)C3=O 587438898 RFKCYXHRGAIAGQ-XOBRGWDASA-N 335.359 3.545 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1CCc1ccccn1)O2 587389227 GDTRFKLLLMYDAT-FQEVSTJZSA-N 347.418 3.723 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cnc(Cl)cc1C 963634084 IYNWNVFCRCVKID-ZMZPIMSZSA-N 332.831 3.684 0 1 EHAF COc1cc(O)cc(-c2oc3c(ccc4occc43)c(=O)c2OC)c1 13340707 WMVUNKYYHUBTIU-UHFFFAOYSA-N 338.315 3.929 0 1 EHAF biogenic,in-vitro Cc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13436235 FQJOALWXRJKJFW-UHFFFAOYSA-N 331.368 3.860 0 1 EHAF O=C1Nc2cncc(n2)OCCCCCOc2ccc(Cl)cc2N1 14958160 JRSWWYITYIOHOP-UHFFFAOYSA-N 348.790 3.716 0 1 EHAF in-vivo Cc1cc(=O)oc2cc(NC(=O)c3cc(-c4ccccc4)[nH]n3)ccc12 16054143 GDHCLQZJPUUWSQ-UHFFFAOYSA-N 345.358 3.744 0 1 EHAF CCC[C@H]1CC[C@@H](n2c(O)nc3ccc(NC(C)=O)cc3c2=O)CC1 1857533642 XGYGSACHNHVGBK-OTVXOJSOSA-N 343.427 3.592 0 1 EHAF O=C(Nc1nc2cc(-c3ccncc3)ccn2n1)c1cccc(Cl)c1 1857590409 JXFVXIFWFGLJKR-UHFFFAOYSA-N 349.781 3.697 0 1 EHAF Cc1cccc(CSCc2ccc(C(=O)NC[C@H]3CCCO3)o2)c1 263143 DJSJWPOMMKNWSI-MRXNPFEDSA-N 345.464 3.930 0 3 EHAF COc1ccc(NC(=S)c2ccoc2C)cc1CC(=O)OC(C)C 6483677 SGKMPSZPIABAFD-UHFFFAOYSA-N 347.436 3.878 0 1 EHAF CN(C)/C(N)=C1\N=NN=C1SCc1ccc(Cl)c(Cl)c1 104013694 YGZZONBUWMAZRB-KHPPLWFESA-N 330.244 3.695 0 3 EHAF CC(C)CCC[C@H](C)CCC[C@@]1(C)O[C@H]([C@H](C)O)[C@@H]([C@@H](C)O)O1 2356395761 VWFGBMFJJPHJPW-UIWVKPTASA-N 330.509 3.881 0 1 EHAF C[C@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C(F)(F)F)cc1 29411436 HMPZQTNOBUQTRI-AEZOWIDVSA-N 341.373 3.977 0 1 EHAF C[C@]12CC[C@H](OC=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NC=O 2356710458 FFINRYRFPXXAGN-LWYCANNGSA-N 347.499 3.685 0 1 EHAF COc1ccc2nc(C)c3c(C)nc(-c4sc(C)nc4C)n3c2n1 73162238 FHILGPQALCJBPN-UHFFFAOYSA-N 339.424 3.643 0 1 EHAF COC(=O)c1ccc(N(C)c2nc(Cl)nc3ccccc23)cc1 136894166 RYAGEVXEBUGPAF-UHFFFAOYSA-N 327.771 3.838 0 1 EHAF COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@H]2C)[C@@H]2CCCO[C@@H]21 195294787 KAIRBWGUKDEUFM-MVIKNITJSA-N 346.398 3.515 0 1 EHAF C[Si](C)(C)CCC[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 195901353 OUDTZLNARFNZPX-MRXNPFEDSA-N 337.927 3.938 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)[C@@H](C(C)C)C[C@H]2[C@@]1(C)O 238752820 LZCAMMRMUKFTQK-XYPACCPZSA-N 336.472 3.667 0 1 EHAF CCCCCC[C@@H](C)/C=C(\C)[C@H](O)[C@H]1C/C(=C/CC(=O)O)C(=O)O1 238747355 NNWCGBORNRHSIQ-CVOVPIIXSA-N 338.444 3.617 0 1 EHAF O=C(O)[C@@H]1CCc2sc3nc(=S)n(-c4ccccc4)c(O)c3c21 253497938 OXIPFYXDQOGZRI-SECBINFHSA-N 344.417 3.636 0 3 EHAF Fc1c(Br)ccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 586919204 ZNAFYDDBRMTNJE-LBPRGKRZSA-N 349.159 3.977 0 1 EHAF COC(=O)c1cc2nc(CCCCCCCCCCCO)[nH]c2cn1 586894469 HDLKYUKOYWHNQT-UHFFFAOYSA-N 347.459 3.790 0 1 EHAF CCC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354434 QQMKRCKMPXBDOO-LPHOPBHVSA-N 344.338 3.514 0 1 EHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccn1C 587860261 PGCDSZKLJTUSQR-UHFFFAOYSA-N 337.210 3.978 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1scc3c1OCCO3)CC2=O 587492971 DOLKKRIYJSCSLT-CQSZACIVSA-N 346.404 3.884 0 1 EHAF Cc1cccnc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585857 HBSOALCQUVVURZ-DYESRHJHSA-N 347.370 3.973 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2)N1 587833782 PITMNBJHTZSAIT-ABKXIKBNSA-N 336.204 3.917 0 1 EHAF CC[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348612 AGDUQKUNAZVQEO-PKOBYXMFSA-N 328.339 3.628 0 1 EHAF C=Cc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 586882010 QMLGXMRUIQNCBU-UHFFFAOYSA-N 343.390 3.932 0 1 EHAF O=CNC[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587103296 FFKYVYTWXAZNDY-ZDUSSCGKSA-N 342.398 3.612 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCCSC1 587619174 RDUXPPGPXSCKGO-GFJSAUFNSA-N 342.416 3.866 0 1 EHAF Clc1cccc(C2(c3nc4cc5c(cc4[nH]3)OCCCO5)CC2)n1 587084778 SXVGKBHGJUXVAR-UHFFFAOYSA-N 341.798 3.853 0 1 EHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(F)cc3[nH]2)cs1 587013893 CWAQXFWFDIWCRL-UHFFFAOYSA-N 348.403 3.850 0 1 EHAF CC(C)(NC(=O)Nc1ccc(Cl)cc1)c1cccc(C(=N)NO)c1 584905504 NZOIAPIDYRJDOM-UHFFFAOYSA-N 346.818 3.701 0 1 EHAF in-vitro Cc1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 587094927 WMOFKGONJMRCED-AWEZNQCLSA-N 341.358 3.629 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)cn1)O2 587371777 MURSAFSDOIHMJC-INIZCTEOSA-N 347.212 3.615 0 1 EHAF COC(=O)c1ccccc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963108811 YQMYYQSXHSPUJA-DNVCBOLYSA-N 325.383 3.722 0 1 EHAF CCCc1cc2c(OC)noc2c(CCC)c1OC(C)(C)C(=O)O 12358567 OOLAPGQQNIFHGH-UHFFFAOYSA-N 335.400 3.983 0 1 EHAF Cc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1 13525162 SDIQCJPTAHZCAD-UHFFFAOYSA-N 346.839 3.905 0 1 EHAF CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCSCC(=O)O 169337994 MMTQOFIJCUDWFS-MACJZMCQSA-N 342.501 3.677 0 1 EHAF CC/C=C\C[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCC(=O)O 1857574271 UMALRBCNGZNIDK-KKCXLIGHSA-N 334.456 3.934 0 1 EHAF CCOC(=O)c1cccc(OC[C@H](CC)Oc2ccc(C)nc2)c1 103282112 JSXPRSYBKBSOHL-INIZCTEOSA-N 329.396 3.803 0 1 EHAF CCOC(=O)CC1=N[C@](C)(c2ccccc2)c2ccccc2CN1C 100883596 ATVQXTOQFFTBTC-OAQYLSRUSA-N 336.435 3.747 0 1 EHAF CC(C)COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12 113654187 NMBRMHDNSOUGEZ-UHFFFAOYSA-N 344.802 3.670 0 1 EHAF COc1cc(C(=O)Nc2ccc([C@H]3CCNC3)cc2)nc2ccccc12 117718194 JAWUPFXIFCWYIM-HNNXBMFYSA-N 347.418 3.573 0 1 EHAF CCN(CC)CCN1C(=O)c2c(c3sccc3c3ccoc23)C1=O 29124386 VZXDEAJWVVOSIW-UHFFFAOYSA-N 342.420 3.585 0 1 EHAF O=C(Nc1ccccc1)[C@@H]1C(=O)N2c3ccccc3Cc3cccc1c32 26165591 BXDMMGLLWOKUHH-LJQANCHMSA-N 340.382 3.991 0 1 EHAF c1ccc2c(c1)Cc1ccccc1[C@H]1C[C@H](CN3CCOCC3)O[C@H]21 26669488 GPVDPKZTACUYNW-STZQEDGTSA-N 335.447 3.537 0 1 EHAF C[C@@H]1CO[C@]2(C)Oc3cc4c(cc3C[C@H]12)C[C@@H]1[C@@H](C)CO[C@@]1(C)O4 2356645823 GKWTWWJVLKOABN-IUMOAVTFSA-N 330.424 3.554 0 1 EHAF CC(C)c1nn2ccccc2c1C1=NN(Cc2ccccc2)C(=O)CC1 71332825 DRLAPHCVJIIJPV-UHFFFAOYSA-N 346.434 3.984 0 1 EHAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccccc3)cc2)[nH]n1 72126925 DQCUINPTCSZJPV-UHFFFAOYSA-N 335.363 3.506 0 1 EHAF Cc1cccc(C)c1Oc1ccc(=O)n(Nc2ccc(F)cc2)n1 72118059 FHBDQLHILWTDPG-UHFFFAOYSA-N 325.343 3.667 0 1 EHAF CN(C)c1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1 45339834 PQAPPBGOLPCBEP-UHFFFAOYSA-N 345.402 3.927 0 1 EHAF C[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H](O)[C@]2(C)O)[C@@]12C=C(c1ccoc1)OC2 138765174 ZHETXDMTDBQVIV-SHMFVNDVSA-N 332.440 3.595 0 1 EHAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3cccnn3)c2F)cn1 224575970 HGGGJURYJSJPLJ-UHFFFAOYSA-N 337.358 3.715 0 1 EHAF O=C(Nc1ccc(-c2ccncc2)cc1)[C@@H]1COc2ccccc2O1 40943597 WFRVZENQQASYRN-IBGZPJMESA-N 332.359 3.527 0 1 EHAF O=C1[C@H]2CCCN2[C@@H](c2ccncc2)N1c1ccc(Cl)c(Cl)c1 49669359 DYCDZHBMUFVLST-HZPDHXFCSA-N 348.233 3.898 0 3 EHAF CC[C@@H](c1ccc(OC)cc1)N1CCC2(CCC(=O)CC2)OC1=O 146061902 BLJDBMAAZJGUDL-KRWDZBQOSA-N 331.412 3.871 0 1 EHAF Cc1ccc2nc([C@@H]3CCN(Cc4ccc(N(C)C)cc4)C3)[nH]c2c1 51076656 VBFNHFCZDZPFPB-QGZVFWFLSA-N 334.467 3.927 0 1 EHAF biogenic O=C1COc2ccc(Cl)cc2[C@H]2CC(c3ccccc3F)=NN12 653692052 QTWYCSDPBHPWOR-OAHLLOKOSA-N 330.746 3.549 0 1 EHAF COc1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1OC 586895863 CDBKNWXLRFKYNF-UHFFFAOYSA-N 326.396 3.851 0 1 EHAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C 587579573 UUXXZDVFCPMZIZ-YLJYHZDGSA-N 335.359 3.742 0 1 EHAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CCC[C@H](C1)N2C 587486744 LAUPGYJYJOEIIG-RAKKMVLPSA-N 329.440 3.695 0 1 EHAF Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C 587791399 LWPAJDKSBZDTMZ-NXSYQRQQSA-N 338.224 3.552 0 1 EHAF C[C@H](O)c1ncc(-c2nc3cc(F)cc(Br)c3[nH]2)s1 587021479 IOYYEHQZJXGCQX-YFKPBYRVSA-N 342.193 3.641 0 1 EHAF Oc1cccc([C@H](O)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 586890938 LWGSLWBGJCLCNA-ZDUSSCGKSA-N 326.249 3.508 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccco4)s1)[C@@H](C2)C3=O 587451698 JWPXUQMASWUUJF-APPDUMDISA-N 339.372 3.900 0 1 EHAF N=c1[nH]ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587065010 RETFGYREMLYKIX-UHFFFAOYSA-N 340.770 3.863 0 1 EHAF Nc1cccc(C(=O)O)c1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587248763 VSEFFTZHFPIROQ-UHFFFAOYSA-N 339.248 3.668 0 1 EHAF Cc1cc2c(cc1F)[C@]1(C[C@@H](OC(C)(C)C)[C@H]1n1cccn1)NCC2 962095820 XNGXMLMEUKANBH-GGPKGHCWSA-N 343.446 3.500 0 1 EHAF c1csc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)cc2)c1 143736516 ZVBBLPYIXPIVPZ-SFHVURJKSA-N 336.464 3.940 0 1 EHAF COc1ccccc1OC[C@@H]1CN(Cc2cccc(Cl)c2)CCO1 13579598 GUSPDCIUVZTXMP-KRWDZBQOSA-N 347.842 3.628 0 1 EHAF COc1ccc([C@H]2c3c(n[nH]c3C)N=C3CC(C)(C)CC(=O)[C@H]32)cc1 169690527 ZRHYTCOPPFMLFP-ROUUACIJSA-N 337.423 3.950 0 1 EHAF CC(=O)c1ccc(OCCCCN2CCc3ccccc3C2)cc1O 1857582651 NOUDIJSWICGUNT-UHFFFAOYSA-N 339.435 3.812 0 1 EHAF Cc1ccc(C(=O)Nc2nc([C@@H](N)Cc3ccccc3)cs2)cc1 1857608037 FFOVBFIADVOZQK-INIZCTEOSA-N 337.448 3.946 0 1 EHAF Cc1[nH]nc2c1[C@H](c1ccccc1)c1c(nc3c(c1N)CCCC3)O2 1857637123 OMYCYCMCFWGJPT-INIZCTEOSA-N 332.407 3.860 0 1 EHAF C=C1C(=O)O[C@@H]2C(=O)[C@@H](C)CCCC(C)=CCC[C@@]3(C)O[C@@H]3C[C@@H]12 253664681 FGMVUGQMSRSYDL-WESCHGGQSA-N 332.440 3.747 0 1 EHAF COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@@H](C2)[C@@H]1CCC(=O)C3 101686126 NNUUOAQJUHMLDS-BVSLBCMMSA-N 339.479 3.733 0 1 EHAF CCOC(=O)[C@@H](C)Oc1ccc(N(C)c2nc3ccccc3o2)cc1 103293831 WOMNKGNYXPTMEE-CYBMUJFWSA-N 340.379 3.926 0 1 EHAF COc1ccccc1/C(=C/c1coc2nc(N)nc(N)c12)CC(C)C 58633326 GSEWOBPWXZKJLQ-FMIVXFBMSA-N 338.411 3.983 0 1 EHAF in-vitro CCN(CC)CCCNc1[nH]cc(C)c2nc3ccc(O)cc3c1-2 100904690 NRKVZEHWLUFCAJ-UHFFFAOYSA-N 326.444 3.826 0 1 EHAF CCOc1c(-c2nnn[nH]2)oc2c3ccccc3n(-c3ccccc3)c12 29394156 JOINTFUOXCQRLQ-UHFFFAOYSA-N 345.362 3.956 0 1 EHAF CCc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@H](C)CC3=O 29133556 VOCPUOQHFWTXRO-NXEZZACHSA-N 326.348 3.503 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC(C)=CCCC(C)=C[C@H](O)[C@H]1[C@H](C)CO 2356610417 ZZBPVABDPAAVGR-FCGDIQPGSA-N 336.472 3.546 0 1 EHAF CCCCCCN1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2112064 CSENKUPTUGUKMX-HXUWFJFHSA-N 339.439 3.784 0 1 EHAF biogenic Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1 73222863 IESJRUUOIHDONG-UHFFFAOYSA-N 331.460 3.525 0 1 EHAF COc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CC(C)(C)C 35308315 NJBNIWCMOWPAQD-UHFFFAOYSA-N 347.440 3.779 0 1 EHAF CC[C@H](O)C1=CCCC[C@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 40862012 ZPCBCTMUZXBEBJ-JKSUJKDBSA-N 346.851 3.644 0 1 EHAF CC1=CCC[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@@H](C)C[C@H](O)[C@@]13CO4 238748341 UQXIOGAOBOQKTA-ZABSUHAISA-N 330.424 3.755 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)[C@H]2O[C@]12C 238732681 JYFQGNVUDRLGJK-UDTYDRNGSA-N 336.472 3.785 0 1 EHAF CC/C=C\C[C@H]1/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 231931117 BZTIGFGJIMLNRE-LHGLDCFUSA-N 332.440 3.507 0 1 EHAF CC(C)OC(=O)CCN[C@@]1(c2ccccc2Cl)CCCCC1=O 96910583 OYHDMPDRGZQTIM-GOSISDBHSA-N 337.847 3.610 0 1 EHAF C[C@@H]1CCCc2c1nc1[nH]c(=S)nc(N)c1c2-c1cccn1C 299861770 ITQYJFPPWKSSIQ-SECBINFHSA-N 325.441 3.715 0 1 EHAF COc1ccc2[nH]c3c(c2c1)CCCN1C(=O)c2ccccc2N(C)[C@H]31 473088057 HSAPOWSUMOBMSO-FQEVSTJZSA-N 347.418 3.714 0 1 EHAF O=C(Nc1cnc2cnc(-c3ccsc3)cn12)c1cccs1 653671277 LQYNCSOXZQSPPE-UHFFFAOYSA-N 326.406 3.772 0 1 EHAF Cc1cc2cc(-c3cc(=O)n4ncc(-c5ccccn5)c4[nH]3)ccc2o1 653668356 VFSWGKIDOKRAKP-UHFFFAOYSA-N 342.358 3.806 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC)c(N)c1)CC2=O 587469037 GNVLGUCGPXMOFX-FQEVSTJZSA-N 340.423 3.849 0 1 EHAF COC(=O)[C@@]1(c2ccccc2)CCc2nc3cccc4c3c(c2C1)CC4 587214600 SYQPNZSBIIMZRU-QHCPKHFHSA-N 343.426 3.933 0 1 EHAF Cc1cccc(OCc2nc3c(Br)ccnc3[nH]2)c1C 587564267 QDPVWBAJAUJOQG-UHFFFAOYSA-N 332.201 3.916 0 1 EHAF COc1cncc(N)c1-c1nc2c(OCc3ccccc3)cccc2[nH]1 587254655 UEKMRVHKYUJLEQ-UHFFFAOYSA-N 346.390 3.795 0 1 EHAF CC(=O)c1ccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2c1 587246507 BNEVCUNPNGJRHK-UHFFFAOYSA-N 336.395 3.812 0 1 EHAF Nc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1N 587135192 VFHMTUXFRAMGSQ-UPHRSURJSA-N 340.255 3.593 0 1 EHAF COc1cncc(N)c1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 587252832 PHRWPSNSNPFJJK-UHFFFAOYSA-N 340.330 3.828 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4ccnc4)cc1)[C@@H](C2)C3=O 587431643 PVLKEPGWRKYRLK-LAUBAEHRSA-N 346.386 3.544 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnn(C4CCCCC4)c1)[C@@H](C2)C3=O 587431621 LAWJFOUOIIYHGJ-JXFKEZNVSA-N 338.407 3.886 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@]3(C)O[C@H]23)N1 587839564 SXIIENMDIMYMGL-JIWMEVSISA-N 340.236 3.659 0 1 EHAF COc1ccccc1OCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873181 DGSXYKVFABYTKY-UHFFFAOYSA-N 340.310 3.523 0 1 EHAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 587028172 LTNMWYBCGZBTHR-UHFFFAOYSA-N 342.355 3.827 0 1 EHAF Cc1cnc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587029865 URZUMDXMVODZGU-UHFFFAOYSA-N 346.419 3.788 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(F)c1OC)[C@@H](C2)C3=O 587422479 DTYVCTKUIMNFPA-DJJJIMSYSA-N 328.339 3.506 0 1 EHAF O=C(N[C@@H](c1ccccc1)c1nc2cccc(O)c2[nH]1)c1ccccc1 587224291 RDYOPZIDOWXCEQ-SFHVURJKSA-N 343.386 3.788 0 1 EHAF COC(=O)[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587107435 SOFPUPXEHORRHW-LBPRGKRZSA-N 343.382 3.724 0 1 EHAF Cc1cc(Br)ccc1OCc1nc2cncc(C)c2[nH]1 586980859 GNCNSOPCVZXJGV-UHFFFAOYSA-N 332.201 3.916 0 1 EHAF COc1cc2c(cc1OC)[C@@](C)(c1cncc(Cl)c1)N(C)[C@@H](C)C2 962572932 RAINXPBPZSBJLS-HXPMCKFVSA-N 346.858 3.892 0 1 EHAF CC(C)(c1ccccc1)[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962903542 MNMCIVDHHHEGNP-JXFKEZNVSA-N 327.399 3.618 0 1 EHAF O=c1ccc2ccc(OC[C@@H]3CC(c4ccc(F)cc4)=NO3)cc2o1 1772641477 KMGHUSGIHILLLC-INIZCTEOSA-N 339.322 3.504 0 1 EHAF O[C@]1(c2ccc(Cl)cc2)c2ccccc2C2=N[C@@H]3CCCC[C@@H]3N21 13491110 KLRMDPMJYLBCKY-WSTZPKSXSA-N 338.838 3.920 0 1 EHAF O=C1CS[C@@H](c2ccc(Br)cc2)N1Cc1ccco1 2474460 LGNPEEJTOWOHMZ-AWEZNQCLSA-N 338.226 3.816 0 1 EHAF CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4655227 LKQDFQLSEHWIRK-LCGKLAOVSA-N 334.500 3.710 0 3 EHAF CN(C)[C@H]1C[C@H](c2c[nH]c3ccc(C(=O)NCc4ccccc4)cc32)C1 100959235 GCMJIDLORVWRLW-HDICACEKSA-N 347.462 3.906 0 1 EHAF O=C(C1CCCCC1)N1CC(=S)N2CCCc3ccccc3[C@H]2C1 26180774 BNCIFJVZVIWSRW-GOSISDBHSA-N 342.508 3.726 0 1 EHAF COC(=O)C1=CCC[C@H]2[C@]1(C)[C@@H](O)C[C@@H](C)[C@@]2(C)CCC1=CCOC1 2356746068 RMDVTBQPOFJSNM-MGMMFMINSA-N 348.483 3.646 0 1 EHAF CCOc1ccc(-c2cncc(C(=O)NCc3ccccc3C)n2)cc1 64448241 ONXXBNABQCHJHC-UHFFFAOYSA-N 347.418 3.781 0 1 EHAF CC[C@H](Oc1cccc2nc(N)nc(N)c12)c1ccc(Cl)cc1 28971979 QKQJBXQVZYPHHL-ZDUSSCGKSA-N 328.803 3.978 0 1 EHAF CC1=CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H](C(=O)O)C1 34114551 UJZUTRKGRCXYBR-QWHCGFSZSA-N 328.195 3.989 0 1 EHAF Oc1ccc2c(c1)[C@]13CCN(CCc4ccccc4)[C@H](CC[C@@H]1O2)C3 72177322 NEVNFUOTQDJGBE-VOQZNFBZSA-N 335.447 3.892 0 1 EHAF Cc1cc(C(=O)N2CCC2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 143482807 IFSCBPVTGKFEPZ-SFHVURJKSA-N 347.336 3.620 0 1 EHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 587784427 GYJVFEQPRPCIOY-WDEREUQCSA-N 345.761 3.694 0 1 EHAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)ncc2[nH]1 587233638 UVGXUSHYHBYJRP-UWVGGRQHSA-N 336.823 3.772 0 1 EHAF CS[C@H](C)C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609284 UXASCEKJIDPTTP-RLCCDNCMSA-N 330.405 3.864 0 1 EHAF Cc1c(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)cnn1C 587633381 BYXNYNZLDLSPEN-UHFFFAOYSA-N 325.265 3.599 0 1 EHAF COC(=O)[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587524715 MKEHKCJMOFCOHH-XOBRGWDASA-N 328.408 3.633 0 1 EHAF N=c1[nH]c(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535051 HZNCJEZTSWTWHK-GFCCVEGCSA-N 334.828 3.794 0 1 EHAF Cc1[nH]c2ccc(F)c(Cl)c2c1-n1c(=O)oc(=O)c2ccccc21 587631503 CLMYFXNZVCTBBJ-UHFFFAOYSA-N 344.729 3.526 0 1 EHAF COC[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792976 MJIMZPRETWKJJB-WMFXKJRFSA-N 330.241 3.620 0 1 EHAF N[C@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1Cl 587058404 VDBCCCGKGSCEGW-SNVBAGLBSA-N 340.736 3.873 0 1 EHAF COC(=O)c1cccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587037694 WXMLHAQJUGYBKK-CQSZACIVSA-N 330.434 3.790 0 1 EHAF CN[C@@H](c1cccnc1)c1nc2cc(Br)c(C)c(C)c2[nH]1 587224345 RUJANKYHCDARRL-HNNXBMFYSA-N 345.244 3.646 0 1 EHAF O=c1ccn(C2CCN(Cc3ccccc3)CC2)c(C(F)(F)F)c1 957615268 OMMVPHJLTYXMDF-UHFFFAOYSA-N 336.357 3.704 0 1 EHAF CC(C)[C@@]1(c2cccs2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963031901 RSKUIDNWQOSBOT-BFUOFWGJSA-N 326.465 3.701 0 1 EHAF Cc1ccc(C(=O)Nc2nccn3cc(-c4ccccc4)nc23)cc1 1772643352 PJVLVWBZDBVOFD-UHFFFAOYSA-N 328.375 3.957 0 1 EHAF CCC(=O)Nc1cccc(S[C@H](CC(=O)O)c2cccnc2)c1 13589291 VUBLBSWDGISZTL-OAHLLOKOSA-N 330.409 3.738 0 1 EHAF CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1CC 13672324 UWAQMGMZQGUHOO-UHFFFAOYSA-N 341.407 3.973 0 1 EHAF N=C(N)c1ccc(/C=C/c2ccc3c(c2)C[C@@H](CC(=O)O)CC3)cc1 13781408 SINNJNBKUKNJTA-PYKQWIPUSA-N 334.419 3.721 0 1 EHAF O=C(CCN1CCN(c2ccccc2Cl)CC1)c1ccsc1 13861764 MKCNVRNKIVAEJX-UHFFFAOYSA-N 334.872 3.797 0 1 EHAF CC(C)Oc1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12 14961294 MJYLXFFGAPFRNQ-UHFFFAOYSA-N 338.342 3.978 0 1 EHAF O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccsc1)c1ccccc1 3976435 JZXJMFOSRNVGHQ-SFHVURJKSA-N 342.464 3.986 0 1 EHAF Nc1ncccc1C(=O)NCc1ccc(Oc2cccc(F)c2)s1 58583007 MTYNEIUFXQHBPH-UHFFFAOYSA-N 343.383 3.587 0 1 EHAF O=C(O)[C@H]1Cc2cc([C@@H](O)c3cccs3)c(Cl)c(Cl)c2O1 27991098 IOSWZADOXNEVNX-PRHODGIISA-N 345.203 3.525 0 1 EHAF c1ccc(CN(Cc2ccccn2)Cc2coc(-c3ccco3)n2)nc1 72183477 GWENKOUCBIMKLU-UHFFFAOYSA-N 346.390 3.927 0 1 EHAF C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C(C)CC[C@@H]3OC(=O)[C@@H](C)CC)C[C@@H]12 14452019 ODZCVPMDHQHNOP-ZKSYOSKBSA-N 332.440 3.953 0 1 EHAF biogenic O=C(C[C@@H]1OC(=O)c2ccccc21)c1cccc(Br)c1 39131709 IAODWKGGYOMKGY-HNNXBMFYSA-N 331.165 3.934 0 1 EHAF CNC(=O)n1c2ccc(Cl)cc2c2ccc([C@@H](C)C(=O)O)cc21 95555564 OBIQZTVPDHHSIT-SECBINFHSA-N 330.771 3.824 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cc4cc(F)ccc4[nH]1)[C@@H](C2)C3=O 587428948 REQKEGIUMPSYMJ-VBKZILBWSA-N 337.350 3.978 0 1 EHAF Cn1cc(-c2nc3ccnc(Br)c3[nH]2)c(C(F)(F)F)c1 587113703 XLCXPAJSMHDQMF-UHFFFAOYSA-N 345.122 3.745 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(C)nc(C)cc2[nH]1 586916374 LRHRMDWBVIUPFG-MGPUTAFESA-N 335.407 3.791 0 1 EHAF N=c1cc[nH]cc1[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587507078 ADOZCXRKDPEZDC-NRFANRHFSA-N 334.419 3.644 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(F)cc1F)[C@@H](C2)C3=O 587423035 HZYSGWYAQFBYAU-VOJFVSQTSA-N 334.293 3.775 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccccc1F)O2 587384267 CKIRZIVFMRYDBR-QGZVFWFLSA-N 337.354 3.813 0 1 EHAF C[C@@H]1CSC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587859043 VDVSJTATIYSZDS-NUPCCRGMSA-N 330.266 3.701 0 1 EHAF O[C@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C1CCOCC1 586912763 GNMJNNBUZHAUIS-LBPRGKRZSA-N 334.725 3.695 0 1 EHAF COC(=O)[C@@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587096656 GCKQGDZSNPFBJU-LBPRGKRZSA-N 343.382 3.642 0 1 EHAF Fc1c(Br)ccc2nc(-c3cnc(Cl)nc3)[nH]c12 587086072 RCWVJKMWLIFFDY-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587609777 DEWITPJYURHKPI-RHSMWYFYSA-N 339.372 3.860 0 1 EHAF C[C@@H]1CCc2sc(-c3nc4c(S)nc(S)nc4[nH]3)cc2C1 587033183 GKVNEFJHXZQGFA-ZCFIWIBFSA-N 334.495 3.784 0 1 EHAF C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cccc(F)c2c1CCCO 587636389 ZPDLEXJARTZYPX-NSHDSACASA-N 336.407 3.818 0 1 EHAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(F)cc4[nH]3)cc2N1 587125299 RIMKKLUKAOMZSD-KRTXAFLBSA-N 339.296 3.873 0 1 EHAF COc1ccc2[nH]c3c(c2c1)[C@@]1(c2cccc(O)c2)CCN(C)[C@@H](C3)C1 13756000 QRSAMOUGQMIXEX-NYHFZMIOSA-N 348.446 3.819 0 1 EHAF Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3cnccn3)nc(N)c12 13835472 NYBQVXSVPZQOJI-CQSZACIVSA-N 344.422 3.697 0 1 EHAF COc1cccc([C@@H]2c3c(C)n[nH]c3N=C3CC(C)(C)CC(=O)[C@@H]32)c1 18166000 YCICWUAORVRKBE-QZTJIDSGSA-N 337.423 3.950 0 1 EHAF CCCN1C(=O)CN(C2CCC(C)CC2)C(=O)[C@H]1c1ccc(F)cc1 217235 ZTEHFMNTMVLVRX-ITXXBFQVSA-N 346.446 3.526 0 1 EHAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)NC2CCCCC2)cc1 100093155 AZZLMUIKRHLIRX-ULGLWMGMSA-N 339.483 3.502 0 1 EHAF CCc1cccc(NC(=O)c2cccnc2NCc2ccncc2)c1 28957118 VPSIZGXQXQGXAD-UHFFFAOYSA-N 332.407 3.903 0 1 EHAF CC(C)(Oc1cccc2nc(N)nc(N)c12)c1cccc(Cl)c1 28971618 SKKLBNVZUPIKCP-UHFFFAOYSA-N 328.803 3.762 0 1 EHAF CN(C(=O)Cc1ccccc1Cl)[C@H]1CCCC[C@@H]1N1CCCC1 26843041 NEEMFRCNPHEXRX-ROUUACIJSA-N 334.891 3.748 0 1 EHAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccc(-c2ccccc2)o1 28463426 DABUOUNBUGOTTL-YHYVQYDKSA-N 347.414 3.995 0 1 EHAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@@H]2C=C[C@H](O)[C@]21C 2356756456 HRUZZZOEFXPPFR-BQOQNOCCSA-N 346.511 3.732 0 1 EHAF COc1cccc(/C=C/C(=O)CC(=O)/C=C/c2cccc(OC)c2)c1 33925589 WSJHJHWGIOGUSG-WGDLNXRISA-N 336.387 3.959 0 1 EHAF C[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN2C1=O 653692036 NYYBLRBTEDPENR-BDJLRTHQSA-N 326.783 3.799 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](CCO)CCC3 586991913 QXHCFAIUGJYDOJ-LBPRGKRZSA-N 345.398 3.954 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)cc(C)n1)CC2=O 587485557 IKIGUIZBVHWKPZ-GOSISDBHSA-N 327.380 3.763 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C[C@@H](C)O)c1)CC2=O 587486979 YDOKHZJPXDDQOU-XCLFUZPHSA-N 340.419 3.975 0 1 EHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccn1)[C@@H](C2)C3=O 587434857 BNELHYWHFKRJDX-JTSKRJEESA-N 343.382 3.781 0 1 EHAF C[C@H](c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1C(F)(F)F 587099046 WHCIWRAJYXUGBO-LURJTMIESA-N 340.330 3.518 0 1 EHAF Fc1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)nc1Br 587155317 JYMKRHUZZHLSSS-UHFFFAOYSA-N 345.534 3.714 0 1 EHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cncc(OC)c2[nH]1 587927670 SGAJQAHSKYSCLN-LBPRGKRZSA-N 327.384 3.526 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCc4cc(Cl)ccc41)[C@@H](C2)C3=O 587422620 RCSIYIREEOCXRZ-KXBFYZLASA-N 326.779 3.938 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](CC)C(=O)OCC)CC2=O 587476803 AWZGFSWWPINGFU-LIRRHRJNSA-N 334.412 3.658 0 1 EHAF COc1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2cn1 587012960 WECOVTRMPRKBMC-UHFFFAOYSA-N 336.420 3.989 0 1 EHAF COc1nccc2nc(COc3ccc(Br)cc3C)[nH]c12 586980694 DUMHRJOURCSWNF-UHFFFAOYSA-N 348.200 3.616 0 1 EHAF COC(=O)c1ccnc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc12 587085781 HICSIDNJXDKAAC-UHFFFAOYSA-N 338.754 3.613 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C)[C@@H](C)C2=O)N1 587818476 DUAJYLIZILXXDN-IOOBAMJDSA-N 340.236 3.563 0 1 EHAF O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(Cl)cc1O 1556375103 ZZKMJQFVAWUYDJ-UHFFFAOYSA-N 332.762 3.639 0 1 EHAF CCCn1cnc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962695813 FPFCOPYSPDWARB-KUHUBIRLSA-N 345.487 3.885 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cn3c(n2)CCCC3)N1 962952832 WAJNKKRGMSGTGD-LHSJRXKWSA-N 334.467 3.889 0 1 EHAF COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)CCO3)N(C)[C@@H](C)C2 962636809 NIPLOZPZMMDEAV-YEJXKQKISA-N 339.435 3.605 0 1 EHAF CC1(CN)CCC2(CC1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962723227 YRILWCUCIMAZOF-APMMTJHUSA-N 348.531 3.924 0 1 EHAF O=C(/C=C/c1ccccc1C(F)(F)F)N1CCC=C(Cl)C1=O 1772590434 JOCFLCXTIRKUTF-BQYQJAHWSA-N 329.705 3.600 0 1 EHAF O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3[nH]ncc3c2)n1 14960327 GCBJDOWIQHMCMR-UHFFFAOYSA-N 346.350 3.538 0 1 EHAF COc1ccc(CNC(=O)c2ccc3nc(C)cc(C)c3c2)cc1F 1857758412 PMRJVLFDFOIIDK-UHFFFAOYSA-N 338.382 3.929 0 1 EHAF Cc1noc(C)c1-c1nc(NCc2cccnc2)c2ccccc2n1 4258532 CEQLQASMSSMHDS-UHFFFAOYSA-N 331.379 3.909 0 1 EHAF CCc1ccc2c(c1)N=C(c1ccncc1)N=C(c1ccncc1)N2 6743735 ZRWNFLQAVUROFI-UHFFFAOYSA-N 327.391 3.990 0 1 EHAF CC(C)(C)C(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 20766597 DUPTYLSZFPSMAQ-UHFFFAOYSA-N 348.490 3.989 0 3 EHAF COc1ccc2cc(-c3nc(CO)[nH]c3-c3ccncc3)ccc2c1 84739498 YPCLFTBAMVRXKB-UHFFFAOYSA-N 331.375 3.793 0 1 EHAF O[C@@H](CSc1nc2ccccc2s1)C[C@@H](O)c1ccccc1 95785022 JMWBBAHHMDMYOL-UKRRQHHQSA-N 331.462 3.873 0 1 EHAF Clc1ccc([C@@H]2c3nnnn3-c3ccccc3N2CC2CC2)cc1 149905823 LLBMBJSSNZJMLU-QGZVFWFLSA-N 337.814 3.635 0 1 EHAF Cc1ccc(NC(=O)c2cscn2)cc1-c1nc2ncccc2o1 96914400 OQWQMRGSYXNZHN-UHFFFAOYSA-N 336.376 3.907 0 1 EHAF O=C1O[C@H](C2CCOCC2)CC(O)=C1Sc1ccccc1Cl 299839868 TWCPFKSZSTZLLQ-ZDUSSCGKSA-N 340.828 3.944 0 1 EHAF CC(=O)N[C@@H](Cc1nc2cccc(Cl)c2[nH]1)c1ccc(C)cc1 587205701 DLGKHAWDBDWYPN-INIZCTEOSA-N 327.815 3.945 0 1 EHAF O=C1C[C@H](c2cccn2-c2cnccn2)Oc2c1ccc1c2CCCC1 587514356 XEQFNWYIBFZXMW-LJQANCHMSA-N 345.402 3.853 0 1 EHAF Nc1ccc2oc(-c3nc4ccnc(Br)c4[nH]3)cc2c1 587251726 MCCBQQBBLFWEOH-UHFFFAOYSA-N 329.157 3.716 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC=C(NNc3ccccc3)C1)O2 587390634 OVZPRLFGXYQDDU-OAQYLSRUSA-N 349.434 3.966 0 1 EHAF COc1cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1OC 587194866 CKKWTVCUTRJXHR-LBPRGKRZSA-N 325.412 3.798 0 1 EHAF COc1cncc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c12 587076241 RSTMBLUCHTXKBC-UHFFFAOYSA-N 339.786 3.781 0 1 EHAF COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cccc(F)c12 587632448 CCLKGBPRSAHVLY-UHFFFAOYSA-N 331.730 3.983 0 1 EHAF COc1nccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 587201552 RWBSSOLAFOQSDB-UHFFFAOYSA-N 348.447 3.547 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c[nH]cc32)N1 587794092 SUGMTWLBHJZUKX-JDNHERCYSA-N 335.220 3.640 0 1 EHAF Cc1cc(CNC(=O)c2ccc(C(C)(C)C)cc2)ccc1C(=O)O 1772602426 FLDBTHKTEGUSDQ-UHFFFAOYSA-N 325.408 3.921 0 1 EHAF COc1ccc2c(c1)[C@@]1(C)Cc3c(C(=O)O)noc3C(C)(C)[C@@H]1CC2 1772579409 RQENOLRTBOMMQL-MGPUTAFESA-N 341.407 3.735 0 1 EHAF O=C1c2ccccc2OC[C@@H]1CN1CCC(Cc2ccccc2)CC1 13607223 ODWZSCLUZWGCOH-IBGZPJMESA-N 335.447 3.833 0 1 EHAF in-vivo COC(=O)[C@@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@H]2CC=C[C@H]21 169338044 KKBJCVBSAUGNEH-FEFWYAJISA-N 328.383 3.912 0 1 EHAF CCCc1cc(=O)oc2cc(OCCCO)c3c(c12)OC(C)(C)C=C3 169342064 GBMYQYFHUVHFHK-UHFFFAOYSA-N 344.407 3.691 0 1 EHAF O=C(OCc1cn(-c2cc(Cl)ccc2Cl)nn1)C1CCCC1 1857631868 BNPGJHTZCAHSDH-UHFFFAOYSA-N 340.210 3.808 0 1 EHAF COc1ccc(C=CC(=O)O)cc1CC=C(C)[C@@H](O)CC=C(C)C 2356498597 YQBWMLNIUYVJNW-SFHVURJKSA-N 330.424 3.999 0 1 EHAF Cc1c(C(=O)N2CCCC2)sc2ncnc(N3CCCC[C@@H]3C)c12 2924264 CRWGXAIRJQDPNV-LBPRGKRZSA-N 344.484 3.615 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 3983979 DUHUCHOQIDJXAT-KEGGPASISA-N 332.484 3.774 0 1 EHAF C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CC[C@@H]1COC(=O)C1 103289336 TUFKWTIZKAZNKT-CJRNAPGESA-N 332.440 3.646 0 1 EHAF C[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@]2(CCN3CC2CCC2)CC1=O 29218125 JGGKOMOQMSZYOH-QXHRYPSCSA-N 339.479 3.676 0 1 EHAF O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2c(Cl)cccc2Cl)C1 22023251 WLNBVANUSJPCGE-OLZOCXBDSA-N 349.261 3.774 0 1 EHAF CCc1nn(C)c(C(=O)NCc2ccc(CC(C)(C)C)nc2)c1Cl 103177053 OONVJNWWZRRJEU-UHFFFAOYSA-N 348.878 3.550 0 1 EHAF CSC=CCOC(C)(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 2356497789 ZGEFAXVVRGCCEZ-MRXNPFEDSA-N 332.421 3.768 0 1 EHAF Clc1ccc(COc2ccc3c(c2)CCCc2nncn2-3)cc1 103219004 XKBVGRHIPKCKHM-UHFFFAOYSA-N 325.799 3.988 0 1 EHAF COc1cc(NC(=O)c2cccs2)ccc1-n1cnc(Cl)c1 103235468 PONMRMPTENAACB-UHFFFAOYSA-N 333.800 3.848 0 1 EHAF O=C(Nc1nnc(-c2ccco2)o1)c1cc(Cl)nc2ccccc12 66114257 VMGNYYWWEHDPKH-UHFFFAOYSA-N 340.726 3.784 0 1 EHAF CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)OC(C)(C)CN2C(C)C)cc1 117790288 XYDVQERSGZVUCE-QGZVFWFLSA-N 346.471 3.553 0 1 EHAF COc1ccc(C(=O)Nc2ccncc2Cl)c2cc(C(C)=O)oc12 26267142 SHWIKYNKCMPTHS-UHFFFAOYSA-N 344.754 3.945 0 1 EHAF CCCCCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@@H]1[C@H]1CCCC(=O)O1 2356607592 MYTQAYDWGRSARV-XCDZQEORSA-N 336.472 3.523 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C=C(C)CC[C@]2(O)[C@@H](C(C)C)C(=O)C[C@]12C 2356733281 LHKYRISHBMMAIZ-BWPNAZKDSA-N 334.456 3.587 0 1 EHAF [O-][n+]1nc2c(-c3ccco3)cnn2c2cc(-c3ccsc3)ccc21 71295975 NTTSGIDSHLKKOO-UHFFFAOYSA-N 334.360 3.504 0 1 EHAF O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12 43195060 FGLPGUCHBHILNS-UHFFFAOYSA-N 333.273 3.688 0 1 EHAF COCOCc1cc(OC)ccc1-c1cc2ccc(C)cc2c(=O)[nH]1 40395246 GWBSGSYSJJEMRQ-UHFFFAOYSA-N 339.391 3.633 0 1 EHAF CC(=O)O[C@H](/C=C/c1ccccc1)C[C@H](O)CCc1ccc(O)cc1 238774014 MAQHCBOMAHBYCF-TZDIIKNNSA-N 340.419 3.721 0 1 EHAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(F)c(F)c2[nH]1 587787295 MYQAOBQUJLOMBF-UHFFFAOYSA-N 330.334 3.974 0 1 EHAF Cc1ccc(SCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C)c1 586965143 RMOPRMPBAHGQOF-UHFFFAOYSA-N 339.420 3.803 0 1 EHAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(C(=O)OC)ccc3[nH]2)n1 587080536 QFDLRVIZICDAJI-VIFPVBQESA-N 332.791 3.837 0 1 EHAF Fc1cnc2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 587029226 LKDDUHFPQGFKRK-UHFFFAOYSA-N 326.356 3.800 0 1 EHAF Cc1c(-c2nc3cc(N)c(N)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076279 UGPZMAVYGVFAKH-UHFFFAOYSA-N 338.802 3.542 0 1 EHAF C[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608062 JFYNOXGBNCXEDI-PXNSSMCTSA-N 340.375 3.539 0 1 EHAF CN(C)c1ncccc1-c1nc2c(Br)c(F)ccc2[nH]1 587195568 JFIASLZNEPSUQW-UHFFFAOYSA-N 335.180 3.593 0 1 EHAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 587049961 KRWRNTCSSDGQPJ-OAHLLOKOSA-N 343.774 3.565 0 1 EHAF CCOC(=O)CSC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587533156 RAZGPBNZDYHOAB-LJQANCHMSA-N 348.464 3.586 0 1 EHAF C[C@H]1CCO[C@H](c2nc3cccc(I)c3[nH]2)C1 586916876 HSUCAENRYRAORI-KWQFWETISA-N 342.180 3.655 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CSC[C@@H]2C)N1 587855797 GVONOJWPJCDFDR-ATEUNZGCSA-N 330.266 3.701 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@@H]2C)N1 587816590 AQWCISGGFNJHQL-LSYCYVAJSA-N 340.236 3.707 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCn3cccc32)N1 587769896 GYINXFGEIFDISL-QLJPJBMISA-N 335.220 3.571 0 1 EHAF CCOC(=O)CC[C@@]1(c2cccs2)NCCc2ccc(F)c(C)c21 962300582 PULKFYMOZDFQMB-IBGZPJMESA-N 347.455 3.928 0 1 EHAF c1ccc(Cn2nnc3c(NC4CC4)nc(-c4ccccc4)nc32)cc1 13589734 SYAPUNIGANZCMR-UHFFFAOYSA-N 342.406 3.511 0 1 EHAF CN1CCN(c2nc3ccccc3c3c2CCc2sccc2-3)CC1 13797040 UQLASFOWQSFVMZ-UHFFFAOYSA-N 335.476 3.814 0 1 EHAF CC(=O)Nc1cccc(-c2ccnc3c(O)c(NC(C)=O)ccc23)c1 1857547480 LKXYWZUURDEORL-UHFFFAOYSA-N 335.363 3.524 0 1 EHAF Cc1ccc2nc([C@@](O)(c3ccccc3)c3ncccc3F)n(C)c2c1 1857615085 UOJLTUAOVMKKQO-OAQYLSRUSA-N 347.393 3.700 0 1 EHAF NCCCNc1cc(N2CCc3ccccc3C2)nc2ccccc12 1857749663 QBNISQSMYVLRHP-UHFFFAOYSA-N 332.451 3.558 0 1 EHAF COc1cc(N2CC[C@H](c3ccccc3)C2=O)ccc1-c1cnco1 584629201 AQPXDMHEBODRFE-MRXNPFEDSA-N 334.375 3.871 0 1 EHAF COc1ccc(-c2ncnn2-c2cccc(C(F)(F)F)c2)cc1OC 4030582 FMGKFEBVSUZTDD-UHFFFAOYSA-N 349.312 3.970 0 1 EHAF Cc1[nH]c2ccccc2c1[C@H]1Cc2ccccc2N1C(=O)/C=C\C(=O)O 102958733 BLCOALNKHFNYCK-RXQFDZFGSA-N 346.386 3.748 0 1 EHAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccccc4)C[C@H]3F)[nH]c2c1 2356299971 RHBKNBUEWYUFJY-VQIMIIECSA-N 339.414 3.610 0 1 EHAF Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1S(C)(=O)=O 27307781 ZPAFDYRUNMYZFP-UHFFFAOYSA-N 342.445 3.928 0 1 EHAF CC[C@@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 101824350 RUNRCUXZMMKEMO-FJGOKHBRSA-N 339.479 3.676 0 1 EHAF Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 102720107 HEYZGOBFERKUEY-BRWVUGGUSA-N 328.456 3.527 0 1 EHAF CN1CCN(CCCCOc2ccccc2Cc2ccccc2)CC1 29248237 ULJRRXIFMQVQEB-UHFFFAOYSA-N 338.495 3.684 0 1 EHAF Fc1ccccc1-c1cccc(CN2CCN(c3ncccn3)CC2)c1 26163692 MZCVVBNYRQNALN-UHFFFAOYSA-N 348.425 3.605 0 1 EHAF Cc1ccccc1NC(=S)Nc1cnn(Cc2c(C)noc2C)c1 116672263 RSAZZVAIOYUFEA-UHFFFAOYSA-N 341.440 3.654 0 1 EHAF c1ccc(CCCSc2nsnc2[C@H]2CN3CC[C@H]2C3)cc1 26732458 BGEXBXZDZUBPIB-GJZGRUSLSA-N 331.510 3.682 0 1 EHAF CCCN1CCO[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 27561651 GHUKWEAJCPSIQW-UKRRQHHQSA-N 335.245 3.638 0 1 EHAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)[C@@H](O)c2c(C)coc2C1 2356680574 MDOFFBZEZOKVIK-MQLHOLDLSA-N 334.456 3.839 0 1 EHAF CC(C)CNc1ncnc2c1nc(C(C)C)n2CC[C@H]1CCCN1C 82178134 MPTZHJXMZNRVKM-OAHLLOKOSA-N 344.507 3.502 0 1 EHAF Cc1cccc(NC(=O)c2nc(C)cc3c(-c4ccccn4)c[nH]c23)n1 95572474 DSIOZKXTPFLKJZ-UHFFFAOYSA-N 343.390 3.889 0 1 EHAF CC(C)(Cl)[C@H](O)CCOc1c2ccoc2cc2oc(=O)ccc12 238748997 YAXURPLQFBFYFN-CQSZACIVSA-N 336.771 3.686 0 1 EHAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](CC[C@]3(C)O[C@@H]3CC1)[C@@H](C)C(=O)O2 299814900 WDEIQHZSEQJHHX-VFCLNGDNSA-N 336.472 3.763 0 1 EHAF COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3ccccc3)c2c1 473107735 KBXBYJUQOSJVJK-UHFFFAOYSA-N 330.409 3.523 0 1 EHAF CN(C)C(=O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 587028424 YCIWFSLRSYMKNI-UHFFFAOYSA-N 331.466 3.760 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ncccc12 587584926 CAEFSFBJVMRWEC-NQIIRXRSSA-N 345.354 3.591 0 1 EHAF CCN(CC)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587741366 MVFLKZFNJJHVPC-BDJLRTHQSA-N 343.284 3.679 0 1 EHAF CCCCNC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660110 NNKAHDJDEISDNK-UHFFFAOYSA-N 339.370 3.560 0 1 EHAF CCOC(=O)COc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587211281 DAGOYEVHLUOYGO-UHFFFAOYSA-N 333.387 3.942 0 1 EHAF C[C@H]1CC2(C[C@H](C)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 587829908 CYDDWXKOHUZMFD-VWYCJHECSA-N 342.252 3.905 0 1 EHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 587787996 YNYAPZKUMJZQDM-RYUDHWBXSA-N 328.318 3.785 0 1 EHAF COC(=O)c1cc2[nH]c(CSCc3ccsc3)nc2cc1OC 587025472 GRUBLLVCXMYJCW-UHFFFAOYSA-N 348.449 3.853 0 1 EHAF CC[C@]1(Cc2nc3ccc(CO)cc3[nH]2)CC(=O)c2ccccc2C1 587961014 PEFRNISFVNQFJM-OAQYLSRUSA-N 334.419 3.823 0 1 EHAF CC[C@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587827298 KHZHJHGBXCIYFA-BJOHPYRUSA-N 344.224 3.593 0 1 EHAF CC(C)[C@H](c1nc2ccc(C(=O)O)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197280 CHDUEYBCSOQIKN-CQSZACIVSA-N 347.415 3.825 0 1 EHAF CC[C@@H](C)Oc1ccccc1CNC(=O)c1ccc2cnccc2n1 5845864 QBIVRVOTCLJESK-CQSZACIVSA-N 335.407 3.737 0 1 EHAF CCCCOc1c(C(=O)c2c(F)cccc2F)cnc2[nH]ncc12 13535792 RHOFDJKXENXNLN-UHFFFAOYSA-N 331.322 3.646 0 1 EHAF C[C@H]1CCC[C@@H](n2cnc3c(sc4nccc(N(C)C)c43)c2=O)C1 13676132 ZAFIKJPXKKFWNF-NWDGAFQWSA-N 342.468 3.823 0 1 EHAF O=C(Nc1cccc2c1C[C@@H](O)C2)N[C@H]1CC[C@@H](c2ccccc2)C1 169704872 YZQTXNNYKDDAPW-NJAFHUGGSA-N 336.435 3.604 0 1 EHAF CC/C=C/C/C=C/C[C@H](O)/C=C/C=C/C=C/[C@H](O)CCCC(=O)O 4556781 BISQPGCQOHLHQK-QNWZOKBASA-N 334.456 3.934 0 1 EHAF in-vitro COc1cc2cncc(Cc3coc4ccccc4c3=O)c2cc1OC 584636087 WPVZPABDQJMNCD-UHFFFAOYSA-N 347.370 3.949 0 1 EHAF Cc1nnc(SCC(=O)NC2CCCCC2)n1C1CCCCC1 382753 SBSIHZVEPRIRRM-UHFFFAOYSA-N 336.505 3.633 0 3 EHAF CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4211331 NQMMFQKPYJNYNV-RDJZCZTQSA-N 328.799 3.520 0 1 EHAF CN(C(=O)Cc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1 6018037 WVFITRUKRNWDMA-MSOLQXFVSA-N 334.891 3.748 0 1 EHAF C[C@@H]1CO[C@](Cn2ccnc2)(c2ccc3c(c2)Cc2ccccc2-3)O1 29346567 LQQIQVLTAPFYIK-VFNWGFHPSA-N 332.403 3.743 0 1 EHAF O=C1[C@@H]([C@@H](O)c2ccc3ccccc3n2)CCCN1Cc1ccccc1 103295704 GKEQPPKDUAESCX-WIYYLYMNSA-N 346.430 3.707 0 1 EHAF Cc1cc(C)n(-c2[nH]nc(N3CCCCC3)c3c4ccccc4nc2-3)n1 101269160 NBDSVWFSYOKGIM-UHFFFAOYSA-N 346.438 3.856 0 1 EHAF CO/C=C\[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 28569998 OTRGSZVOULSZGL-LORCSUAASA-N 332.484 3.811 0 1 EHAF COc1cc2c(cc1OC)CN1CCc3c([nH]c4ccccc34)[C@@H]1C2 26666667 ADXLVAIEPFQCAH-SFHVURJKSA-N 334.419 3.841 0 1 EHAF CCCc1sc(C)nc1C(=O)N(C)C[C@@H]1CCCN2CCCC[C@@H]12 2356737716 SMFKKURWDOXJIO-HOTGVXAUSA-N 349.544 3.741 0 1 EHAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5[nH]nc(O)c5C[C@]43C)[C@H]1CCC2=O 504659324 IBVOKGNUOPSVJY-CRJNXFOESA-N 328.456 3.642 0 1 EHAF biogenic C[C@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(O)ccc(O)c3cc12 15266372 WXLYRCGVTYXHMS-HXUWFJFHSA-N 334.327 3.671 0 1 EHAF biogenic Fc1cccc(NCc2ccc(CNc3cccc(F)n3)cc2)n1 72108615 KNICRNGVYFFABK-UHFFFAOYSA-N 326.350 3.979 0 1 EHAF COc1ccc(C)cc1CSc1nc2ccccc2n1CC(=O)O 84654046 XXCQZOLANCDLPA-UHFFFAOYSA-N 342.420 3.730 0 1 EHAF COc1ccc2c(c1O)CCC[C@H]2c1cc(OC)c(OC)c(OC)c1 84619856 ZLMYBFQFGZNVHN-ZDUSSCGKSA-N 344.407 3.895 0 1 EHAF Clc1cccc(-c2cnn3ccc(NCC4CCOCC4)nc23)c1 299839659 SWFAGSRXXWSCDS-UHFFFAOYSA-N 342.830 3.888 0 1 EHAF OCCN1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1 473118038 KJENGQHGPDRMLH-IBGZPJMESA-N 326.827 3.761 0 1 EHAF CC1(O)[C@H]2CC3C[C@H]1CC(NCc1cc(-c4cccs4)on1)(C3)C2 653689417 KCXBDCFRTSSVCD-SPNVMKBUSA-N 344.480 3.822 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc([C@H](C)N(C)C)cc1)[C@@H](C2)C3=O 587429600 QFAXSMNQRBTVQQ-ODLKPZKQSA-N 337.419 3.807 0 1 EHAF FC(F)(F)[C@](F)(Cl)c1nc2cncc(Br)c2[nH]1 587090239 OEEGJTVIYCMXOG-ZETCQYMHSA-N 332.482 3.644 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)n1 587571956 SMXIGFFWQLJKLC-VQIMIIECSA-N 337.306 3.629 0 1 EHAF O=C1O/C(=C\c2nc3cccc(Br)c3[nH]2)c2ccccc21 586905812 CSRDANTXRMKYFI-JYRVWZFOSA-N 341.164 3.994 0 1 EHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(F)c4[nH]3)cc2N1 587126622 ZIQMGZXGINAOQU-CPCISQLKSA-N 339.296 3.873 0 1 EHAF COc1ccc2nc(-c3nc4cc(F)c(OC)cc4[nH]3)sc2c1 587033993 BCVRYUZQFIRFTC-UHFFFAOYSA-N 329.356 3.996 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)cc(C)n1)CC2=O 587485559 IKIGUIZBVHWKPZ-SFHVURJKSA-N 327.380 3.763 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Cn3ccnc3)c1)O2 587392232 XQMLHVJEDDIQSO-LJQANCHMSA-N 333.391 3.529 0 1 EHAF O=C(/C=C\c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)Nc1ccccc1 587244562 POHIGHQYEUTWDA-SREVYHEPSA-N 343.289 3.536 0 1 EHAF CS(=O)(=O)c1ccc2[nH]c(C(=O)O)c(-c3ccc(Cl)cc3)c2c1 587648532 AYHQZUCHOAHIPS-UHFFFAOYSA-N 349.795 3.590 0 1 EHAF Cc1ccnc2c1CCN[C@@]21CCN(Cc2ccccc2)C2(CC2)C1 963071273 QJNJOSUYAKPDEP-JOCHJYFZSA-N 333.479 3.560 0 1 EHAF CCCN(CCC)C[C@]1(C)NCCc2cnc3c(OC)cccc3c21 963053085 GFEWHYFVNMYLAF-NRFANRHFSA-N 341.499 3.726 0 1 EHAF COc1ccc([C@]2(c3cccs3)NCCc3c(C)ccnc32)cc1 963067352 JLWNOOWWUAHRGQ-HXUWFJFHSA-N 336.460 3.898 0 1 EHAF COc1cccc2c1c(CC(N)=O)c(C)n2Cc1cccc(Cl)c1 13446034 YVSDRWOATASBPX-UHFFFAOYSA-N 342.826 3.688 0 1 EHAF CC(=O)N[C@H]1[C@@H]2C=C(C)C[C@@H]1c1c(nc3cc(Cl)ccc3c1N)C2 169354717 SRBWAIWJMGLCDO-LCCAYYTGSA-N 341.842 3.581 0 1 EHAF CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3)nnn2C)cc1 1857554905 QXLAYDJFJPDBOC-UHFFFAOYSA-N 349.438 3.581 0 1 EHAF CN1CCN(C2=Cn3cccc3Sc3ccc(Cl)cc32)CC1 13532216 HJNMOCAMMZEOBF-UHFFFAOYSA-N 331.872 3.809 0 1 EHAF O=C(O)[C@H]1CS[C@H](c2cccc(OCc3ccccc3Cl)c2)N1 2472442 AGTMYOZRLWANDT-HZPDHXFCSA-N 349.839 3.707 0 1 EHAF COC(=O)c1cc(C)ccc1C[C@H](Cc1ccc(C)cc1)C(=O)OC 6487144 QVAOJWNFWVPXOP-SFHVURJKSA-N 340.419 3.664 0 1 EHAF COc1ccccc1[C@H]1N(c2ccc(Cl)cc2)C(=O)[C@H]2CCCN21 57011183 YSPMFQJSWDVJME-SJLPKXTDSA-N 342.826 3.858 0 3 EHAF O=C(Nc1ccc([C@@H]2CCCNC2)cc1)OC1Cc2ccccc2C1 117732204 OGMSPHDOOFWCJW-GOSISDBHSA-N 336.435 3.870 0 1 EHAF O=C(N[C@H]1CCO[C@H](c2ccc(Cl)cc2)OC1)c1ccccc1 28826665 UAJOLQRCZQPYNW-WMZOPIPTSA-N 331.799 3.574 0 1 EHAF CCOC(=O)[C@H](C)c1ccnc2c(-c3ccc(Cl)cc3)cnn12 115651418 BOXWOZZJLLOCEA-LLVKDONJSA-N 329.787 3.716 0 1 EHAF CCc1ccc(C(=O)c2c(SC)cc3n2CC[C@H]3C(=O)O)cc1 28224409 KRPNGZFFKMDWAF-CYBMUJFWSA-N 329.421 3.575 0 1 EHAF C[C@H]1CC=CCc2ccc(o2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 2356509145 FMTPUVKFUGIZNF-JTQLQIEISA-N 348.782 3.983 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C(=O)O 2356565971 SFPQRJXDXQUVHX-PCFVDWANSA-N 346.423 3.682 0 1 EHAF COC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1 34595822 HJOZJSHSAQKXHM-SECBINFHSA-N 325.723 3.607 0 1 EHAF COC(=O)c1nc(-c2ccc(Cl)cc2)sc1-c1nc(C)no1 71318064 IOLYHIBRGRQPDP-UHFFFAOYSA-N 335.772 3.609 0 1 EHAF COc1cc2nncc(-c3ccc(NC4CCC4)nc3)c2cc1OC 73310246 ZYYDVAISQSWNEJ-UHFFFAOYSA-N 336.395 3.673 0 1 EHAF CN1CCC[C@@H]1[C@@H]1C[S@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 40955540 UNZBDOQVZFAUNP-ZBNTXBBCSA-N 347.524 3.661 0 1 EHAF COc1cc(C(=O)NC(C)(C)c2ccccc2)ccc1-c1cn[nH]c1 221729986 SWFHDLGGWNNIBV-UHFFFAOYSA-N 335.407 3.750 0 1 EHAF O=C(/C=C/c1ccccc1)NCCCCOC(=O)/C=C/c1ccccc1 238778522 NAFBBGZYPIGEDV-WXUKJITCSA-N 349.430 3.853 0 1 EHAF O[C@H](C[C@H]1CCCCN1)[C@H]1CC=Nc2c1cccc2C(F)(F)F 299849548 BXDJPRAMIBKNMC-TYNCELHUSA-N 326.362 3.788 0 1 EHAF N=C(N)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068110 HLCVCHBCGMXRDU-UHFFFAOYSA-N 336.786 3.557 0 1 EHAF CC(C)COc1cccc(OCc2nc3c(Cl)ncnc3[nH]2)c1 587565745 JQOIKQJURVJCOJ-UHFFFAOYSA-N 332.791 3.620 0 1 EHAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(F)F 587383822 WCYLUNHTSACXKR-OAHLLOKOSA-N 349.333 3.894 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)O)s1)CC2=O 587493770 HTVJZWIICCHGME-CYBMUJFWSA-N 332.377 3.811 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)nc(C)n1 587862460 AUWDSUZYPZVSEW-UHFFFAOYSA-N 348.328 3.974 0 1 EHAF Cc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2n1 587029183 JHNYTYDJDUMHHO-UHFFFAOYSA-N 346.419 3.788 0 1 EHAF Cc1cnc(Cl)c2[nH]c(C3(C(=O)OC(C)C)CC(F)(F)C3)nc12 587130055 DILJUZGZGHAVMA-UHFFFAOYSA-N 343.761 3.538 0 1 EHAF CC(C)(C)Oc1cc(-c2nc3ccc(CCO)cc3[nH]2)c(N)cc1F 587135706 BHGOTTLWICFLMM-UHFFFAOYSA-N 343.402 3.663 0 1 EHAF COC[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792973 MJIMZPRETWKJJB-AMJWSMQMSA-N 330.241 3.620 0 1 EHAF FC(F)(F)c1ncc2nc(CSCc3ccsc3)nc-2[nH]1 587028123 VVEQNESRKUBALQ-UHFFFAOYSA-N 330.360 3.818 0 1 EHAF Fc1ccc2c(c1)C[C@H](c1nc3ccc(Br)nc3[nH]1)O2 587174657 QWRXULMMGXCYQK-LLVKDONJSA-N 334.148 3.536 0 1 EHAF C[C@H]1CCO[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)C1 586917998 ZHRPVYIVAGTCPA-XPUUQOCRSA-N 330.613 3.861 0 1 EHAF COc1cccc(OCc2ccc(-c3nc4ncncc4[nH]3)cc2)c1 587781578 LGRWWVXUWFLCIX-UHFFFAOYSA-N 332.363 3.608 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccnc(OC)c1)CC2=O 587487738 NPPJYPFUFDUTHA-AWEZNQCLSA-N 341.407 3.715 0 1 EHAF Cc1n[nH]c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587800599 BUTBHOGKRGHWAM-KWKYVRJSSA-N 338.224 3.552 0 1 EHAF CCCCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963613560 UYEKGHMTPZHDAV-JLTOFOAXSA-N 349.471 3.577 0 1 EHAF NCCNc1cc(N2CCCc3ccccc3C2)nc2ccccc12 205298300 JUWZQBRMSFXSPH-UHFFFAOYSA-N 332.451 3.558 0 1 EHAF O=C(Cn1cccc1C(=O)c1ccccc1)NCCC1=CCCCC1 5142351 FDILESNYXQTCCL-UHFFFAOYSA-N 336.435 3.726 0 3 EHAF Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N[C@H](C)C(C)C 13587410 VIJXCAHIZOBABG-SECBINFHSA-N 327.450 3.573 0 1 EHAF CN(C)CCNC(=O)c1cccc2c1Oc1cccc(Cl)c1O2 13650212 CKMMEUIWUJKEDB-UHFFFAOYSA-N 332.787 3.529 0 1 EHAF C[C@@H](CC(=O)NCc1ccc2nc[nH]c2c1)c1c(F)cccc1F 1857558253 OLIPHIMGKIVIEY-NSHDSACASA-N 329.350 3.651 0 1 EHAF Cc1ccc(C(=O)NC[C@H]2c3ccccc3CCN2CC(C)C)cc1 1857628248 RMVRRMAGWIHRBV-NRFANRHFSA-N 336.479 3.980 0 1 EHAF CCc1ccc(-c2nc(CSCC(=O)NC3CC3)c(C)o2)cc1 6772237 SUCKTGWMLQGJGX-UHFFFAOYSA-N 330.453 3.724 0 3 EHAF O[C@@]1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCCC[C@H]2CO1 58549821 QYZRXDDFXNRNLE-PMACEKPBSA-N 327.399 3.523 0 1 EHAF Cc1nc(NCc2ccc(Br)cc2)nc(C(F)(F)F)n1 103282902 KHGFQYKEJVWCOQ-UHFFFAOYSA-N 347.138 3.573 0 1 EHAF Fc1ccc(Cc2nc3c(c(-c4ccc(F)cc4)n2)CNCC3)cc1 29126505 ICXYYFPLSKPKJE-UHFFFAOYSA-N 337.373 3.658 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3ccc(O)cc3CC[C@H]21 117623460 MUKAIKNFWZOKFG-FXAWDEMLSA-N 347.418 3.603 0 1 EHAF NC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1cccc(F)c1 29135813 PZAMAMVNJOKHHZ-UHFFFAOYSA-N 341.332 3.924 0 1 EHAF COc1ccc(N2C(=O)/C(=C3/CCCN3C)c3ccccc32)cc1F 27518208 VZEPMNASMUXYAT-ZPHPHTNESA-N 338.382 3.949 0 1 EHAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4OC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 2356487062 NJHXENDODLZLSB-WNEXGZFFSA-N 332.440 3.642 0 1 EHAF COc1cc2c(c(O)c1C(C)C)CC[C@@H]1[C@@](C)(CO)C(=O)CC[C@@]21C 2356577438 DRRKGPWOHIAOQU-ORYQWCPZSA-N 346.467 3.706 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@](C)(O)[C@]12C 2356604902 KGZOYCGNWWQQRH-KORVSZGISA-N 346.423 3.892 0 1 EHAF C[C@@H]1COc2c1cc1c(c2O)[C@@]23CCCC(C)(C)[C@@H]2C[C@H]1OC3=O 2356780799 GNMZEYKZSUSJFQ-XICGMEGGSA-N 328.408 3.954 0 1 EHAF C[C@H](O)c1ccc(-c2ccc3ncnc(NC[C@@H]4CCCO4)c3c2)o1 66136472 NNECUTCEQUMTAQ-JSGCOSHPSA-N 339.395 3.534 0 1 EHAF O=C(CCc1ccc2cc(O)ccc2c1)NC1=C(C(=O)O)CCCC1 34852821 ALVRTKGVHQDHNJ-UHFFFAOYSA-N 339.391 3.507 0 1 EHAF CCCCNC(=O)N1CCN(Cc2sc3ccccc3c2C)CC1 43063904 CQXVTUJXLJSFMV-UHFFFAOYSA-N 345.512 3.837 0 1 EHAF CCCCCNC(=O)NC(=O)c1ccccc1OCc1ccccc1 299868687 SEONVJDPOPVYGZ-UHFFFAOYSA-N 340.423 3.895 0 1 EHAF Cc1coc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774284 LVYMDRUGJRKTRA-CPFSXVBKSA-N 325.181 3.508 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(=O)OC)c1)CC2=O 587477026 DKLYPBKHWWHCSD-GOSISDBHSA-N 340.375 3.838 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COC2CCC2)N1 587811090 MPDOTBSXFBLARR-RFAUZJTJSA-N 328.225 3.733 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC4CC4)cc1)[C@@H](C2)C3=O 587442814 MDSKVGAKGJNFEC-LAUBAEHRSA-N 336.387 3.973 0 1 EHAF Cc1c(C2=NCCS2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992490 BWAUOWYFRXCFQH-UHFFFAOYSA-N 346.411 3.954 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc(OC)ccc1F)[C@@H](C2)C3=O 587425945 IPYZOJFYKUHXMP-IFXJQAMLSA-N 328.339 3.506 0 1 EHAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(Cl)nc2[nH]1 587109537 XQWZJRGBJBYJAS-UHFFFAOYSA-N 341.676 3.995 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1n[nH]c4c(C)cc(F)cc14)[C@@H](C2)C3=O 587429372 UROSVRRABRBSCY-ORAYPTAESA-N 338.338 3.508 0 1 EHAF Cc1cc(Cl)c2c(c1)[C@]1(CCCO2)NCCc2ccc(O)cc21 963341603 NBMHBCAPBVHZQQ-LJQANCHMSA-N 329.827 3.916 0 1 EHAF CCNC(=O)Nc1noc2cc(-c3c(C4CC4)n[nH]c3C)ccc12 1772586364 UHFYJUBUTQDCGS-UHFFFAOYSA-N 325.372 3.545 0 1 EHAF O=C(O)c1cccc(COc2cc(Br)cc3n[nH]cc23)c1 1772616839 CUMITIYHYFLFNZ-UHFFFAOYSA-N 347.168 3.603 0 1 EHAF C[C@H](NC(=O)CSc1nc(O)c2ccccc2n1)C1CCCCC1 1857632846 NGBDGYOVFPAATF-LBPRGKRZSA-N 345.468 3.513 0 1 EHAF CCn1c(=S)sc2c(=O)n(-c3ccccc3)c(SC)nc21 425148 NPWPMBIBNWIXIZ-UHFFFAOYSA-N 335.479 3.720 0 3 EHAF CC(=O)C[C@@H]1OC(=O)C=C1C=Cc1cc(O)c(C=CC(C)C)c(O)c1 2356388791 RSLQUXPTQHZYMB-IBGZPJMESA-N 342.391 3.611 0 1 EHAF N[C@H](CCCCC[P@@](=O)(c1ccccc1)[C@H]1C=CC=CC1)C(=O)O 6004788 MPRXIYJLNGKBGR-HOOSLVGPSA-N 347.395 3.532 0 1 EHAF Cc1ccc(C2=Nn3c(nc4sc(C)c(C)c4c3=O)SC2)cc1 6006829 AFPAYUWLXSIEPJ-UHFFFAOYSA-N 341.461 3.741 0 1 EHAF Cc1cc(O[C@@H](C)C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)ccc1Cl 29414246 ICKBYTJVAIXITK-ZNUWXHPXSA-N 337.847 3.584 0 1 EHAF O=C(c1cccs1)c1cc2c(c(Cl)c1Cl)O[C@@H](C(=O)O)C2 26492648 ALLLEKJCUDAZJR-MRVPVSSYSA-N 343.187 3.674 0 1 EHAF COc1cc2c(cc1OC)CCC(/C=C/C(=O)N1CCCCC1)=C2 64553704 WAQIPRQDUBHCAW-VQHVLOKHSA-N 327.424 3.602 0 1 EHAF Oc1cccc2c1CCN(C(=S)NCCc1ccc(Cl)cc1)C2 29132101 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Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4nnc(C)n4C=N[C@@H]32)cc1 98085182 VYPIWPLPCKAJIY-WOJBJXKFSA-N 341.418 3.756 0 1 EHAF CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H](C(=O)Nc1cc(C)ccc1C)[C@@H]2C(=O)O 169294815 WXJDHIUYCWULNV-LBTBCDHLSA-N 325.408 3.711 0 1 EHAF C[C@@H](NC(=O)[C@@H]1COc2ncccc21)c1ccc(Cl)cc1Cl 205624553 GOCMKLPZAAFVSY-NOZJJQNGSA-N 337.206 3.742 0 1 EHAF COc1ccc([C@H](C)Cn2ccnc2O)cc1O[C@@H]1C[C@H]2CC[C@H]1C2 253682244 GWUQKOQGKGTLBN-YQYZPQCESA-N 342.439 3.968 0 1 EHAF Clc1ccc(C2=C[C@@H](c3nc4cc5c(cc4[nH]3)OCO5)ON2)cc1 587076498 MNOCQODAHYKLTO-INIZCTEOSA-N 341.754 3.562 0 1 EHAF Clc1ccc(-c2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)nn1 587085186 MSEBVIJSXYCXCW-UHFFFAOYSA-N 343.177 3.784 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2n[nH]cc21 587488103 YFWXDOHGGABVKZ-FQEVSTJZSA-N 340.423 3.901 0 1 EHAF CCNC(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587860147 MWUAVGUIEUSBFN-UHFFFAOYSA-N 328.199 3.833 0 1 EHAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 587934001 DQNIFIAMOKPHCB-FQEVSTJZSA-N 348.406 3.868 0 1 EHAF N[C@H](N=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587951709 YJPZLNLDDWFLOW-HYSHOPAUSA-N 340.427 3.772 0 1 EHAF COc1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2cc1F 587952536 STXNBUWPKSWLSA-PNESKVBLSA-N 336.407 3.788 0 1 EHAF COc1ccc2c(c1OC)[C@@H](c1cc(C(C)(C)C)n[nH]1)N(C)[C@@H](C)C2 962618920 FJBMDMVRHOGINM-KPZWWZAWSA-N 343.471 3.690 0 1 EHAF COc1cccc(C)c1[C@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962702553 BAWLHDMJTXZEKK-YOEHRIQHSA-N 349.352 3.739 0 1 EHAF Cc1nccnc1[C@@]1(C)c2ccsc2CCN1Cc1cccnc1 963019720 YQBLBKYYZBJDDZ-LJQANCHMSA-N 336.464 3.563 0 1 EHAF COCCNc1nc(-c2ccccn2)nc2sc3c(c12)CCCC3 1772611586 HLGHRJUCLMZLNQ-UHFFFAOYSA-N 340.452 3.690 0 1 EHAF C[N+]1=CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 1857582821 QJXJBCZTVXQIPI-UHFFFAOYSA-N 325.823 3.504 0 1 EHAF CC(=O)N1c2ccccc2N(Cc2ccccc2N(C)C)C[C@@H]1C1CC1 1857754907 AAKUQSYDOBFTFG-JOCHJYFZSA-N 349.478 3.904 0 1 EHAF CCC[C@H](O)CCCCC[C@@H]1C[C@H](O)[C@@H](Cc2ccccc2)N1C 2356800863 QITOQUWXCAMNFM-MHTWAQMVSA-N 333.516 3.774 0 1 EHAF Cc1ccc(CNC(=O)c2nnc(Cc3ccc(Cl)cc3)o2)cc1 4928494 OXKIGVNYSSZHTP-UHFFFAOYSA-N 341.798 3.552 0 3 EHAF CCCCCOc1ncccc1[C@@H](O)C/C=C/CCCC(=O)OC 28525703 BJQATQHPNWIWFJ-UABRLCRWSA-N 335.444 3.974 0 1 EHAF CO[C@H](C=Cc1ccc(O)cc1)C[C@H](O)CCc1ccc(O)cc1 2356407478 ZZFXUFPDEDISBX-WOJBJXKFSA-N 328.408 3.510 0 1 EHAF CC(=O)O[C@@H](C/C(C)=C/C(=O)O)c1ccc2c(c1)CCC(C)(C)O2 26157499 XRYPDFYRUHHVCT-JICACKBISA-N 332.396 3.815 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@@H]12)C[C@@]45C(=O)O 2356457282 KWHAEXKTUBKWAW-IDOJFDILSA-N 346.467 3.883 0 1 EHAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@H]1CC=CCCCC(=O)O1 2356504979 MDCUPALPRUQMSF-CEXWTWQISA-N 336.472 3.833 0 1 EHAF CC(=O)N[C@@H](c1ccccc1)c1nc(-c2cccc(CO)c2)cs1 61895661 QAOMTIXDFMIDKP-SFHVURJKSA-N 338.432 3.528 0 3 EHAF CC(C)[C@]1(O)CCC2=C(CC[C@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)[C@@H]1O 2356639166 HBNMFHJIMJHWIA-ORFRNNEJSA-N 336.472 3.516 0 1 EHAF CC[C@@H](C)NC(=O)C=CC=CC[C@@H]1CCc2cc3c(cc2O1)OCO3 2356723872 VYDGWIUGIRBBJD-GDBMZVCRSA-N 343.423 3.526 0 1 EHAF Brc1cc(Br)c[n+](CCc2ccccc2)c1 36381198 MRXWSIGLXNUTIQ-UHFFFAOYSA-N 342.054 3.742 0 1 EHAF COc1cc2nncc(-c3ccc(C(F)(F)F)nc3)c2cc1OC 73298011 BDYGAQBBJHJESM-UHFFFAOYSA-N 335.285 3.728 0 1 EHAF C/C=C(\C)C(=O)O[C@H]1CC[C@]2(C)C[C@H]3CO[C@H](O)[C@H]3[C@]2(C)C1(C)C 238770519 POPAGGXDYJJYSP-IEXYIUATSA-N 336.472 3.682 0 1 EHAF CC(C)Cc1nc2ccc(C(N)=O)cc2c(-c2ccccc2)c1CN 149949429 JVKJMSUGFIETDM-UHFFFAOYSA-N 333.435 3.658 0 1 EHAF CN(C(=O)c1ccccc1)c1cccc(Nc2ccccc2C(N)=O)c1 95572507 JHAZSTQMWVKAMV-UHFFFAOYSA-N 345.402 3.806 0 1 EHAF NNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3 96903268 RMNZEFXKRSOCFD-UHFFFAOYSA-N 325.441 3.698 0 1 EHAF O=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCC(c2ccccc2)CC1 653796608 KARJXFUPRVEWJP-UHFFFAOYSA-N 347.422 3.883 0 1 EHAF CCOC(=O)Cc1ccc2nc(-c3cc4cc(N)ccc4o3)[nH]c2c1 587252256 BCNXZRZOQFXQEU-UHFFFAOYSA-N 335.363 3.664 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(OC)cc1C)CC2=O 587488551 PLNYXVIZGAWSIY-QGZVFWFLSA-N 327.380 3.763 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)cc(C(=O)O)cc1C)O2 587408993 SJUMLMUWILQTLK-MRXNPFEDSA-N 325.364 3.599 0 1 EHAF COc1cc(Cl)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC 587376432 CKXNNOJFPRREJR-OAHLLOKOSA-N 347.798 3.954 0 1 EHAF C[C@]1(c2cc(Cl)ncn2)CC(=O)c2ccc3c(c2O1)CCCC3 587496254 AMTCIQIRBGRSLY-GOSISDBHSA-N 328.799 3.889 0 1 EHAF Nc1cc(F)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1N 587137353 WFKZYIGSAIPQTB-UHFFFAOYSA-N 346.365 3.764 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC[C@@H]1CCOC1 587619814 ZLQULOGJNOXWEA-SKDZVZGDSA-N 340.375 3.539 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12Cc1ccccc12 587602240 GZVUMXPLUCMXKW-RXVVDRJESA-N 330.339 3.805 0 1 EHAF Oc1nc(O)c2ccc(-c3cc(F)c(Cl)cc3Cl)nc2n1 587368021 GNQFYXNUFMGKTI-UHFFFAOYSA-N 326.114 3.549 0 1 EHAF N[C@H](c1nc2cccc(Br)c2[nH]1)c1ccc(F)cc1F 587148956 BXJVFDQHGDCXRF-LBPRGKRZSA-N 338.155 3.652 0 1 EHAF CCOc1n[nH]c(-c2nc3ccc4nc(C)ccc4c3[nH]2)c1Cl 587065742 YCZQWUIHSXTOLC-UHFFFAOYSA-N 327.775 3.862 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(C(=O)O)c1Cl)[C@@H](C2)C3=O 587419387 LNBNOIMYOVIDPA-SJCJKPOMSA-N 344.750 3.536 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccccc3)c1)O2 587392350 SWTONFLXBMUATD-FQEVSTJZSA-N 333.391 3.644 0 1 EHAF CCC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810463 CPTPOTBFNMUJSN-PSLIRLAXSA-N 328.225 3.707 0 1 EHAF COc1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2n1 587201327 KFUWQZVBACVJQI-UHFFFAOYSA-N 348.447 3.547 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(C4CC4)nn1C(C)C)[C@@H](C2)C3=O 587430942 IDGMDLJVVGFSGS-VBKZILBWSA-N 338.407 3.839 0 1 EHAF Nc1c(-c2nc3cnncc3[nH]2)sc2cc(Br)ccc12 587030909 JNMMAAHWENWDQQ-UHFFFAOYSA-N 346.213 3.579 0 1 EHAF Fc1cnc2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 587005328 SYVBDBDRETYTHM-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cnccn3)c1)O2 587393751 LGIMQVHPXYETIL-LJQANCHMSA-N 331.375 3.741 0 1 EHAF Fc1ccc(-c2cccc([C@H]3NCCc4nc5ccccn5c43)n2)cc1 962987400 LDPYWJYGUKJZFS-HXUWFJFHSA-N 344.393 3.771 0 1 EHAF COc1cccc2cc3c(nc12)[C@]1(CCC[C@H]2[C@@H]1C2(F)F)NCC3 963039198 UBEKBZRUKJDYAL-QANKJYHBSA-N 330.378 3.650 0 1 EHAF CC(C)c1n[nH]c2c(NCc3ccccc3Br)ncnc12 13538199 STDNEMKKQXVNNS-UHFFFAOYSA-N 346.232 3.851 0 1 EHAF CN(CCN1CCCC1)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 19365474 XOVFYKRTWRZVSX-OAHLLOKOSA-N 327.299 3.878 0 1 EHAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(C(C)C)cc1 169313837 KAPVAOFZIVUJFB-VIXIBMKQSA-N 325.452 3.849 0 1 EHAF CN1C[C@H](c2ccc3c(c2)OCO3)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21 169317785 DWXWESOUQKEWHA-SPYBWZPUSA-N 346.430 3.809 0 1 EHAF O=C(O)C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccccc1 314907068 KVJKFGONBUUATD-ZDUSSCGKSA-N 338.190 3.939 0 1 EHAF CC(C)(O)c1cc2c(cc1O)[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1CC2 13480864 HEIKHXMGSYQVGA-UXPWSPDFSA-N 332.440 3.715 0 1 EHAF biogenic COc1ccc(Cc2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1 13736919 WIJKMGOPOWYODA-UHFFFAOYSA-N 346.382 3.832 0 1 EHAF C1=C(c2ccc(CN3CCCC3)cc2)N2CCN=C2c2ccccc21 13740217 SSMILBSXSKDVOF-UHFFFAOYSA-N 329.447 3.856 0 1 EHAF COc1ccc(CCCc2cc(OC)c(C[C@H](C)N)cc2OC)cc1 13809608 QQVQBSXATXKAAM-HNNXBMFYSA-N 343.467 3.777 0 1 EHAF Cc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)ccn1 26572708 YTSSGFNSZSGKJF-UHFFFAOYSA-N 338.338 3.544 0 1 EHAF CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(C(F)(F)F)c23)N1CC 28953765 FMHFBBNHFCCUEW-SECBINFHSA-N 326.318 3.544 0 1 EHAF COc1cc(C[C@H](C)[C@H](C)[C@H](O)c2ccc(O)c(OC)c2)ccc1O 35465025 WRCSGYHRSMRAFZ-QAJFTPDKSA-N 346.423 3.663 0 1 EHAF biogenic,in-vitro O=C(c1ccc(-n2sc3ccccc3c2=O)cc1)N1CCCCC1 64468925 WMSGCMJWJBGJLH-UHFFFAOYSA-N 338.432 3.678 0 1 EHAF Cc1ccnc([C@@H](C)N(CCCCN)Cc2nc3ccccc3[nH]2)c1 66077551 VRGGKSBJOQZJCX-MRXNPFEDSA-N 337.471 3.568 0 1 EHAF COc1ccccc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1 103236377 KVOKJFRUAUXLHL-UHFFFAOYSA-N 335.407 3.705 0 1 EHAF CC[C@@H](C)C(=O)O[C@@H]1CC(C)=C[C@H](O)[C@@H]1[C@@](C)(O)CCC=C(C)C 238733545 JUXQSTHZYPGVLK-GJNTUIEKSA-N 338.488 3.769 0 1 EHAF CC[C@H](O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586900847 NSBBKRYFFFVVFG-QMMMGPOBSA-N 339.111 3.667 0 1 EHAF CSc1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1 586969368 WSYKNKRFIXNXLF-UHFFFAOYSA-N 331.422 3.524 0 1 EHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccnc(Cl)c2[nH]1 587079241 IBXRSAWDWACOGA-NSHDSACASA-N 346.221 3.989 0 1 EHAF O=C1COc2cc3[nH]c(-c4cccc(C(F)(F)F)c4)nc3cc2N1 587114238 XSZWGSRPIAVDHB-UHFFFAOYSA-N 333.269 3.580 0 1 EHAF N=c1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c[nH]1 587137946 TYNUJZLNCYWOLS-UHFFFAOYSA-N 341.571 3.592 0 1 EHAF COCC[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587386432 YIWCAEQVZTYATI-LJQANCHMSA-N 329.371 3.614 0 1 EHAF CCN(CC)c1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 587412653 JWDBNQYWIIJUAG-AWEZNQCLSA-N 331.441 3.586 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1nc4cc(F)ccc4s1)[C@@H](C2)C3=O 587428397 OJPBYHHJCZZMBZ-GTNSWQLSSA-N 341.363 3.933 0 1 EHAF COc1cc2c3c(c1)O[C@]1(C[C@@H](C)Oc4ccc(F)cc41)[C@@H](C2)C3=O 587428647 PKSQODHFYKUHAQ-YERPZDBWSA-N 340.350 3.648 0 1 EHAF O=C(O)c1ccc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529406 BMZQSTRBKLDWEB-SFHVURJKSA-N 338.359 3.676 0 1 EHAF 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29222814 MHWVLTMJWYBMQO-UHFFFAOYSA-N 349.386 3.920 0 1 EHAF COc1ccc([C@@H](O)c2nc(-c3ccccc3OC)cs2)cc1 61898442 WQLAXRPNVBCFBR-QGZVFWFLSA-N 327.405 3.909 0 3 EHAF CC[C@@]12CCN(Cc3ccc(F)cc3)C[C@@H]1Oc1c(O)cccc12 38141965 SHZRGJVVFYZPIA-ICSRJNTNSA-N 327.399 3.846 0 1 EHAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]12 74377776 QRBRRCDXVPDTHM-IRXDYDNUSA-N 340.810 3.524 0 3 EHAF O=C(c1cc2ccccc2o1)N1CCN(Cc2ccc(F)cc2)CC1 40409360 DWLIFZXOELFYNR-UHFFFAOYSA-N 338.382 3.530 0 1 EHAF COC(=O)C1=C[C@]2(c3ccc(F)cc3[C@@H](OC)[C@H]2C)[C@H]2C=C[C@H]1C2 195365759 VQRFUQBWZBYASP-KXAPIBPYSA-N 328.383 3.706 0 1 EHAF COc1ccc(C[C@@H]2C(c3cccnc3)=N[C@H]3CC[C@@H]2C3)c(OC)c1 96938710 GPGGKQZICYGAAI-LJHODMEESA-N 336.435 3.929 0 1 EHAF CC1=N[C@H](CC(C)C)C(=O)N(CC(C)C)c2cc(C(=O)O)ccc21 473148647 GODXTFLSKAMDLY-MRXNPFEDSA-N 330.428 3.611 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(F)cc(Cl)c1O)[C@@H](C2)C3=O 587425603 FTRRRGLBRQRWFF-BTDLBPIBSA-N 334.730 3.682 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cnc1OC)CC2=O 587469542 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C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 138170689 MUZMXKKQNPFGNS-CWIIRWMDSA-N 332.484 3.774 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@]4(C)[C@H]3C(=O)C[C@@]12C 82070579 AHRWWYGWQKBKBF-DCPYWNBSSA-N 330.468 3.982 0 1 EHAF CNC[C@@H](O)[C@H](c1cccc(F)c1)N1C[C@H](C(C)C)c2ccccc21 45391739 BFQOTQMSOCASOW-NRSPTQNISA-N 342.458 3.707 0 1 EHAF CCN(C)CCN1CCCc2cc(NC(=N)c3cccs3)ccc21 95552482 GDMWZTBOBNMXTL-UHFFFAOYSA-N 342.512 3.890 0 1 EHAF COc1cccc(/C=C/c2cn(/C=C/c3ccc(O)c(OC)c3)nn2)c1 653795356 LVRFTRHYMDBSNW-UMYLGFLZSA-N 349.390 3.799 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc([C@@H]3CCCO3)s1)O2 587412737 KMQKWFQBEZTYMU-UONOGXRCSA-N 330.409 3.592 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccc3)nc1)O2 587393026 AVMJBDDJTUUUBZ-SFHVURJKSA-N 331.375 3.741 0 1 EHAF CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1C1CC1 587517140 HTBRXBXHIZEKTF-NRFANRHFSA-N 337.419 3.568 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(CCc1cccc(F)c1)[C@@H](C2)C3=O 587427630 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346.423 3.802 0 1 EHAF Cc1cc(C)cc(OCc2nc3ccc(OCCN(C)C)cc3[nH]2)c1 587565122 XDKAWRZMNXQLRF-UHFFFAOYSA-N 339.439 3.699 0 1 EHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2nc(Cl)c[nH]c-2n1 587928188 XNSIXWDQEGZUPO-SNVBAGLBSA-N 332.791 3.517 0 1 EHAF COc1ccc(NC(C)=O)cc1[C@@]1(C)NCCc2cc(C)c(F)cc21 962145869 NBLJAQKQOFNCFK-FQEVSTJZSA-N 342.414 3.510 0 1 EHAF C[C@@]1(c2c(Cl)[nH]c3ccccc23)NCCc2nc3ccccn3c21 962991263 UULAWOOEWGOVGA-IBGZPJMESA-N 336.826 3.878 0 1 EHAF O=C(O)c1cccc2c1[C@]1(NCCc3ccc(O)cc31)c1ccccc1-2 963339683 AIZWBWINBUDZIQ-QFIPXVFZSA-N 343.382 3.508 0 1 EHAF C1=C(c2occc2-c2cccc(N3CCOCC3)c2)C2CCN1CC2 13766649 QZQDZBWQUNVCFF-UHFFFAOYSA-N 336.435 3.850 0 1 EHAF CN1CCN(c2nc(-c3ccsc3)cc(-c3cccs3)n2)CC1 13808389 LTAXYRNNPCTBJP-UHFFFAOYSA-N 342.493 3.685 0 1 EHAF COc1ccc(-c2cc3c(NC(=O)CCSC)ncnc3o2)cc1 14946130 UUFYPVYZDHBVAQ-UHFFFAOYSA-N 343.408 3.590 0 1 EHAF c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ccc3[nH]ccc3c2)n1 207556730 MERRGQWRCCBKDB-UHFFFAOYSA-N 345.410 3.914 0 1 EHAF 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EHAF CC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 38493177 SSHZGKZSPWBEMO-PCIARNIUSA-N 332.484 3.918 0 1 EHAF COc1c2ccoc2cc2occ(-c3ccc4c(c3)OCO4)c(=O)c12 33831312 FRVADZRMUKVHBJ-UHFFFAOYSA-N 336.299 3.944 0 1 EHAF biogenic,in-vitro Nc1cnc(-c2ccc(-c3ccccc3-c3cnccn3)cc2F)cn1 224748394 VCUPCOKBFPFTNI-UHFFFAOYSA-N 343.365 3.989 0 1 EHAF C[C@H](N)CNc1nc(-c2ccncc2)nc2cc(C(C)(C)C)sc12 223682183 JIAZEJCFIULJRI-NSHDSACASA-N 341.484 3.810 0 1 EHAF CCC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354436 QQMKRCKMPXBDOO-QFBILLFUSA-N 344.338 3.514 0 1 EHAF CC[C@@H]1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587823026 OAJICEZRRYPEMI-XIZWVBILSA-N 340.236 3.707 0 1 EHAF O=C1c2ccccc2-c2cc(C3(O)CCCC3)nc3ccc(O)c1c23 586991888 QSKFMQKVFXIMDP-UHFFFAOYSA-N 331.371 3.913 0 1 EHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1 587783778 ADEIYLSQNYVUKE-NEPJUHHUSA-N 327.771 3.555 0 1 EHAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587775011 YAPSMTSZOGVMLH-QFYYESIMSA-N 335.220 3.915 0 1 EHAF COc1cc2c3c(c1)O[C@@H](CCc1cccc4ccncc14)[C@@H](C2)C3=O 587434993 AQLXNGKGVDOUDA-MJGOQNOKSA-N 345.398 3.992 0 1 EHAF Cc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587395682 FOZAMVMLKILSPI-SFHVURJKSA-N 333.391 3.982 0 1 EHAF COc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cn1 587116444 XIPVQYFUHILAMF-UHFFFAOYSA-N 345.284 3.596 0 1 EHAF CC(C)Oc1cc2nc([C@@H](N)C(C)C)[nH]c2cc1Br 587259683 YUYUYPYGRFRMCX-ZDUSSCGKSA-N 326.238 3.768 0 1 EHAF O=C(c1nc2cc(CO)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133511 RLDJBYDGOSAOAE-UHFFFAOYSA-N 339.153 3.732 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1 586915494 DQPQFKNJVLZNKM-XOBRGWDASA-N 346.390 3.656 0 1 EHAF C[C@H](S/C=C1/NC(=O)c2c(-c3ccccc3)csc2N1)C(=O)O 958054854 OGEDMUIRXQDHKR-RILYUOAZSA-N 346.433 3.576 0 1 EHAF CCOc1ccc([C@@H]2c3ccsc3CCN2C(N)=O)cc1Cl 962710129 LGWJHMRVBXQMLN-OAHLLOKOSA-N 336.844 3.826 0 1 EHAF c1ccc(COc2nn3c(C4CCC4)nnc3c3ccccc23)nc1 13560010 IDTSXEWVFBEMPN-UHFFFAOYSA-N 331.379 3.519 0 1 EHAF O=C(O)C1=C[C@@H](C2CCCCC2)C[C@@H](OCc2ccc(CO)cc2)O1 13634700 MBMFGAPMPFKKPN-MJGOQNOKSA-N 346.423 3.607 0 3 EHAF CCc1cc(C(C)=O)c(O)cc1OCCCCCCC(=O)N(C)C 13650590 NBAGYMOSAHPARO-UHFFFAOYSA-N 335.444 3.575 0 1 EHAF C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 13797534 CIGSBJHMSOROSY-UHFFFAOYSA-N 343.749 3.685 0 1 EHAF O=C(NSC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 166632655 QDMVZLAYUJSUKH-UHFFFAOYSA-N 325.311 3.924 0 1 EHAF Cc1cccc(Cl)c1Cn1nc(C)c2ccc(CC(=O)O)cc21 203424010 UWKOVYZHOSMSSW-UHFFFAOYSA-N 328.799 3.982 0 1 EHAF Fc1ccc(Cn2c(=NCc3ccco3)[nH]c3ccccc32)c(F)c1 1857602848 OAYASNFOXGLCMJ-UHFFFAOYSA-N 339.345 3.990 0 1 EHAF CCCCc1cc2cc(Cl)cc(Cn3nc(C(=O)O)cc3C)n2n1 1857628077 FXZLSWANEQHAPO-UHFFFAOYSA-N 346.818 3.582 0 1 EHAF O=c1c(O)c(-c2ccccc2F)cc(-c2ccccc2F)c(O)c1O 27418765 OHKLPFULZRSIOS-UHFFFAOYSA-N 342.297 3.776 0 1 EHAF O=C(c1cc(Cl)n[nH]1)N(Cc1cccc2[nH]ccc12)CC1CCC1 103232628 CISLGIZTSRLFTL-UHFFFAOYSA-N 342.830 3.987 0 1 EHAF C[C@H](O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118921406 FOTMUZAAVBPQAN-NPSMOEOMSA-N 336.516 3.502 0 1 EHAF Cc1ccc(-c2nsc(S(=O)(=O)c3ccc(C)cc3)n2)cc1 29123935 BQVPCQQZZBFXSZ-UHFFFAOYSA-N 330.434 3.655 0 1 EHAF Cc1ccc(-c2cc(NO)c(C(=O)Nc3ccccc3)c(=O)o2)cc1 103238574 RBAPULOBAIEOCI-UHFFFAOYSA-N 336.347 3.669 0 1 EHAF O=C(O)CC1=C(c2ccc(Cl)cc2)N=C(S)N[C@@H]1c1ccco1 29464377 FKIHMOWQJCWDJU-HNNXBMFYSA-N 348.811 3.749 0 1 EHAF C[n+]1ccn(CCCCCCCCCCCCCn2cc[n+](C)c2)c1 68203559 QJMQXISUQLMXOP-UHFFFAOYSA-N 346.563 3.930 0 1 EHAF Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3)n2)n[nH]1 116698709 KPIIAFIPCLHFJM-UHFFFAOYSA-N 348.410 3.528 0 1 EHAF CC(C)=CC[C@]12CCN(C)[C@H]1Nc1c(Br)ccc(O)c12 2356659877 WRWGGTSCHPLAPY-HZPDHXFCSA-N 337.261 3.836 0 1 EHAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@H]12)CNC3=O 2356787221 BICKYNKDFFMMHJ-BLMTYFJBSA-N 331.456 3.520 0 1 EHAF OC(c1cccnc1)(c1cccnc1)[C@@H](c1ccccc1)N1CCCC1 35846019 KVQINTYARDHBBP-OAQYLSRUSA-N 345.446 3.550 0 1 EHAF O=C(CCc1ccc(Cl)cc1)C(=O)N1CC[C@@H](c2ccccc2)C1 1911571997 LABAXFOIJDVUCD-QGZVFWFLSA-N 341.838 3.858 0 1 EHAF O=C1N[C@@H](c2cccc(C(F)(F)F)c2)c2c(-c3ccccc3)n[nH]c21 199890253 ZGCCBEHXMOXCID-AWEZNQCLSA-N 343.308 3.928 0 3 EHAF CCN(CC)CCOc1ccc(C[C@@H]2C(=O)Nc3ccccc32)cc1 95561941 OUVIXGVDAJWSJY-IBGZPJMESA-N 338.451 3.686 0 1 EHAF C[C@@H](CF)OC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 253659130 ISWUXQKIYIOEJI-FEMNKSEZSA-N 339.838 3.808 0 1 EHAF Cc1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 587094928 WMOFKGONJMRCED-CQSZACIVSA-N 341.358 3.629 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4nc1OC)[C@@H](C2)C3=O 587434882 AFZYNBYNSFWYJP-VBKZILBWSA-N 347.370 3.741 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(=O)c1ccccc1 587602019 HYTSJTNEUMRVPR-LAUBAEHRSA-N 346.338 3.605 0 1 EHAF FC(F)(F)c1c(Br)ccc2nc([C@H]3CCOC3)[nH]c12 586912440 RXJKTMAUFFNHND-LURJTMIESA-N 335.123 3.848 0 1 EHAF COC(=O)c1coc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529417 BSPUGIORGXOKIF-KRWDZBQOSA-N 326.348 3.652 0 1 EHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(SC)cc3[nH]1)C2 587246706 ITKVEIAQDFPUIB-IBGZPJMESA-N 339.464 3.636 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1nc2ccc(Cl)cc2[nH]1 587652080 VOACGNAIFXTTAC-UHFFFAOYSA-N 331.162 3.569 0 1 EHAF COC1=C[C@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587810712 LKRXKEMEEWNGIG-PSLIRLAXSA-N 326.209 3.642 0 1 EHAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C 587752993 GRXZBSLWMDJVOK-ABKXIKBNSA-N 337.236 3.859 0 1 EHAF CS(=O)(=O)c1cccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 586927906 ZIINUUOAMAGPRZ-UHFFFAOYSA-N 342.754 3.565 0 1 EHAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)no1 587791800 GWOIQFRUVUNLHG-GLEZIHRCSA-N 339.208 3.682 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(Cl)nc1Cl)O2 587380261 RWQWOYJCASFWCC-HNNXBMFYSA-N 338.194 3.555 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1c(N)cc(F)cc1F)CC2=O 587465997 LDPLJLTXQYKLKI-INIZCTEOSA-N 333.334 3.912 0 1 EHAF Cc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587197699 SYPGOGBGRHPJJA-AWEZNQCLSA-N 345.443 3.787 0 1 EHAF c1sc([C@@H]2CCCO2)nc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587016567 NFPGQVADCRDEQP-ZDUSSCGKSA-N 343.408 3.699 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncs1 587620130 XOWDDNJDMAEXBG-WMLDXEAASA-N 325.345 3.552 0 1 EHAF CN1c2ccccc2C(=S)N2CCn3c(cc4cc(F)ccc43)[C@H]21 222001801 QBLVXBREJROPFW-SFHVURJKSA-N 337.423 3.920 0 1 EHAF Clc1nccc2[nH]c(-c3ccccc3)c(CN3CCOCC3)c12 1772604908 MHBYBBYMHVUPEH-UHFFFAOYSA-N 327.815 3.716 0 1 EHAF CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 12867349 AQQROLPNBMFHBE-CYGHRXIMSA-N 336.520 3.648 0 1 EHAF CC(C)(Oc1ccc(CNC(=O)c2cccc(Cl)c2)cc1)C(=O)O 13649322 HPQRZKISTSCACV-UHFFFAOYSA-N 347.798 3.512 0 1 EHAF Cc1ccnc(N(C(=O)Nc2ccccc2)C2=NC[C@@H](C)S2)c1 86894 GWFKWPARKNSLHC-CYBMUJFWSA-N 326.425 3.920 0 1 EHAF COC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F 1644578 ASBZDWHFZWAFRZ-UHFFFAOYSA-N 330.228 3.584 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3c(O)cccc3CC[C@@H]21 100620737 SBYWPYQCUMRVQD-MJGOQNOKSA-N 346.430 3.985 0 1 EHAF CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1ccc(Br)cc1 28460920 YVRJIUVJXRCXMY-UHFFFAOYSA-N 349.272 3.665 0 1 EHAF Brc1ccc(C[n+]2ccn(Cc3ccccc3)c2)cc1 58502263 SZAIVQDBVCPTMJ-UHFFFAOYSA-N 328.233 3.635 0 1 EHAF CCOc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@@H]1CNCCO1 29048940 MYIGEQURFWGOFU-RBUKOAKNSA-N 347.842 3.847 0 1 EHAF in-vitro O=C(O)C[C@@]1(O)CCC[C@@H](/C=C/[C@@H](O)CCCCc2ccccc2)C1 36189843 HGDRLKMEWSBKRS-VGZAARGKSA-N 346.467 3.713 0 1 EHAF O=Cc1ccc2c(c1)[C@H](c1cc(O)cc(O)c1)[C@@H](c1ccc(O)cc1)O2 13340014 TYAYDVXOPBERFS-LEWJYISDSA-N 348.354 3.882 0 1 EHAF biogenic CC(C)(O)C1=C[C@]2(O)CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1 15045680 VBEKTMIFJPKWJA-LGEIONFXSA-N 336.472 3.516 0 1 EHAF biogenic CC(C)c1n[nH]c2c(Nc3ccccc3Br)ncnc12 72108228 PELADIIPXUDULH-UHFFFAOYSA-N 332.205 3.982 0 1 EHAF Nc1nccc2cc(O[C@@H]3CCCN(Cc4ccccc4)C3)ccc12 43169152 IZFFAYAQVHNZHH-LJQANCHMSA-N 333.435 3.860 0 1 EHAF CCOC(=O)/C=C/c1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1 89456449 HSMVFHJCOGHULU-BJMVGYQFSA-N 336.343 3.742 0 1 EHAF c1ccc2cc(Cc3nc4ccc(N5CCNCC5)cc4[nH]3)ccc2c1 45244970 LVIVSXZSQFOYOT-UHFFFAOYSA-N 342.446 3.717 0 1 EHAF O=C(c1ccc2c(c1)OCO2)c1c[nH]c2c(Br)cccc12 1911584967 WQNYXAWYDFCZPI-UHFFFAOYSA-N 344.164 3.890 0 1 EHAF Clc1ccc2[nH]c3nc(SCc4cccnc4)nnc3c2c1 44895072 HADYVMIQLVOYOO-UHFFFAOYSA-N 327.800 3.847 0 1 EHAF COC(OC)[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccc1 95556544 LPWGGLFKGASBIV-HXUWFJFHSA-N 336.435 3.886 0 1 EHAF CC(=O)Nc1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1 147822035 UBOGPGCPMSEBJS-SFTDATJTSA-N 336.435 3.786 0 1 EHAF COc1ccc(-c2cccc3nc(Nc4ccnc(C)c4)nn23)cc1 96282541 GCLMTOAQWBBGCE-UHFFFAOYSA-N 331.379 3.852 0 1 EHAF CC(=O)O[C@@H](c1ccc(F)cc1)[C@@H](Cn1ccnn1)c1ccccc1 96286439 RHGAFWMGLUFSHI-OALUTQOASA-N 339.370 3.505 0 1 EHAF COC(=O)[C@H](Cc1c[nH]c2ccccc12)NSc1ccccc1 95595830 HIAQGDLQZVMHDO-KRWDZBQOSA-N 326.421 3.549 0 1 EHAF CC[C@]1(C(=O)N[C@H](C)[C@H]2CC2(Cl)Cl)[C@H](C)C1(Cl)Cl 299847805 RQLQTDYMCOZYRT-IBCQBUCCSA-N 333.086 3.905 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3cccnc3)s1)O2 587411665 FMWGWZAXYWZDQK-OAHLLOKOSA-N 337.404 3.802 0 1 EHAF COc1cc2c3c(c1)O[C@@H](C(C)(C)CN1CCC[C@@H](C)C1)[C@@H](C2)C3=O 587438550 QFKPGVSROVDHBI-JOTOCRJQSA-N 343.467 3.569 0 1 EHAF Cc1cnc(Cl)c2[nH]c([C@@]3(C)C=C(c4ccccc4F)NO3)nc12 587155631 JGXGFBLKJZRHFB-QGZVFWFLSA-N 344.777 3.850 0 1 EHAF Nc1ccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C(F)(F)F)c1 587095857 XTKUCBRHAOYVNN-UHFFFAOYSA-N 339.248 3.668 0 1 EHAF C=Cn1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587583047 SZAWHIKOOLDEGQ-PXNSSMCTSA-N 348.358 3.701 0 1 EHAF Nc1ccc(-c2ccc3nc(-c4cnc(Cl)nc4)[nH]c3c2)cc1N 587085893 MRQZWNMRENFEPU-UHFFFAOYSA-N 336.786 3.505 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@H]2CCOC2)N1 587834346 KZZHFMBNRQNDCX-FCHSOHFDSA-N 328.225 3.590 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H]2CCOC2)N1 587834018 JSCUADSOGURWCJ-GDLVEWKHSA-N 342.252 3.764 0 1 EHAF COc1cc(OC)c2[nH]c(Cc3c[nH]c4ccc(F)cc34)nc2c1 587173932 ASAVKPRQQNBBMV-UHFFFAOYSA-N 325.343 3.791 0 1 EHAF O=C1C[C@H](c2ccnc3c2OCCC3)Oc2c1ccc1c2CCCC1 587521988 CKTHNBDIOZGSJF-LJQANCHMSA-N 335.403 3.992 0 1 EHAF NC(=O)Nc1cccc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 587242472 UNXINDJGKSIZTM-UHFFFAOYSA-N 349.163 3.622 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc(Cl)ccc31)O2 587380234 RARLLJREYRLEFX-SFHVURJKSA-N 329.783 3.874 0 1 EHAF CN(C)c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)nc1 587195680 ZYQVXEUWDGETOQ-UHFFFAOYSA-N 335.180 3.593 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3cccn3)cc1)O2 587391464 MQCQATJIRZKFLO-HXUWFJFHSA-N 333.391 3.644 0 1 EHAF COc1cc(C2(c3nc4cc5c(cc4[nH]3)OCCO5)CC2)ccc1C 587927145 ODJOSUUDODMCDA-UHFFFAOYSA-N 336.391 3.731 0 1 EHAF CCOC(=O)CCc1ccc(OCc2cccc(OC)c2OC)cc1 169342453 ZWUKXSDAKAEICC-UHFFFAOYSA-N 344.407 3.779 0 1 EHAF CO[C@H]([C@@H](C)[C@@H](OC)c1ccccc1)[C@@H](C)[C@@H](OC)[C@@H](C)C(C)=O 13783005 WPRYXYGHRKNLKD-LVNOUGRESA-N 336.472 3.901 0 1 EHAF Cc1cc(Br)cnc1Nc1ccc([C@H]2CNCCO2)cc1 150049796 UUOTZTDVSOZEQT-OAHLLOKOSA-N 348.244 3.557 0 1 EHAF C[C@@H]1[C@@H](C)O[C@@H]2O[C@@H](c3ccoc3)C[C@]12c1cccc2c1COC2=O 169666278 CTDRGEIVHYZZCA-IKICYEBISA-N 340.375 3.730 0 1 EHAF COc1ccc([C@@H]2C(=O)c3cccn3-c3ccccc3[S@@]2=O)cc1 13739848 WQMAAXKMWKSSCM-NTKDMRAZSA-N 337.400 3.531 0 1 EHAF Cc1onc(-c2ccccc2F)c1C(=O)NCCc1ccccc1F 775354 CJQFKXMHQWPONX-UHFFFAOYSA-N 342.345 3.901 0 1 EHAF CO[C@H](CCCCCCCCO)[C@@H](O)CCCCCCCC(=O)O 2356482095 DRGAKKLILXXLIA-ZWKOTPCHSA-N 346.508 3.901 0 1 EHAF CC[C@@H]1CCCCN1C(=O)Cn1c(C(=O)OC)cc2sc(C)cc21 6820531 PSGUDKJFXUPARZ-CYBMUJFWSA-N 348.468 3.589 0 1 EHAF CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C 7997113 DBPWSSGDRRHUNT-RLLAOZKESA-N 330.468 3.838 0 1 EHAF CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 101871269 IZPXQAAGSHQWQM-OVBOUOSKSA-N 346.559 3.798 0 1 EHAF CCOC(=O)c1c[nH]c(=S)n1[C@@H](CC)c1ccc(F)c(F)c1 28355514 YMRHTWPUSFANPA-LBPRGKRZSA-N 326.368 4.000 0 1 EHAF COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@@H]1N2C 101103172 OVLMCLBVTLFJPW-HZMBPMFUSA-N 326.223 3.787 0 1 EHAF CN(C)C(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccccc1 64251672 VBHCUZDKZGJZIM-NHCUHLMSSA-N 336.479 3.913 0 1 EHAF CCCNC(=O)[C@]1(C)CCN(Cc2ccc(-c3ccccc3)o2)C1 61907460 QRNXBKXNAGXCHH-HXUWFJFHSA-N 326.440 3.685 0 3 EHAF Cc1cc(-c2c(F)cc3/c(=N/N)ccn(C4CC4)c3c2F)cc(C)n1 27322524 LQLJPJIOOGJXRA-LFVJCYFKSA-N 340.377 3.708 0 1 EHAF c1ccc2c(c1)Cc1cc(C3(CCn4ccnc4)OCCO3)ccc1-2 29342124 CPRGKYLMCCOZSY-UHFFFAOYSA-N 332.403 3.744 0 1 EHAF COc1cc([C@@H]2c3cc(O)c(OC)cc3C(=O)[C@H](C)[C@@H]2C)ccc1O 14726851 WFNWOPFVZGRWFA-ZDCWMAILSA-N 342.391 3.715 0 1 EHAF biogenic CCc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc2c(c1)OCCO2 71294748 WXULTKVAYIDINC-FQEVSTJZSA-N 334.419 3.737 0 1 EHAF CC[C@@H](O)C1=CCCC[C@@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 40862010 ZPCBCTMUZXBEBJ-CVEARBPZSA-N 346.851 3.644 0 1 EHAF Oc1n[nH]c2c1[C@H](c1ccc(F)cc1)O[C@H](CCC(F)(F)F)C2 95569093 MWOGXHYVUQUOLF-MFKMUULPSA-N 330.281 3.628 0 3 EHAF CC(C)(C)c1ccc(-c2ccnc3c(CNC(=N)N)ccnc23)cc1 96915507 BQAPBOBYFZVYEJ-UHFFFAOYSA-N 333.439 3.577 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCN[C@@H]3CCCC[C@H]31)CC2=O 587488110 YGQAWELXEGDEAX-JXXFODFXSA-N 329.440 3.601 0 1 EHAF Cc1c(Cl)ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 587117211 BBIQBRZFTZKQDX-UHFFFAOYSA-N 328.725 3.983 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccsc1C(=O)OC)CC2=O 587493320 FTTYRAZXQHERLW-HNNXBMFYSA-N 346.404 3.899 0 1 EHAF Cc1cnc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 587224408 SFRQZNBRQUACEH-SFHVURJKSA-N 342.402 3.786 0 1 EHAF COCCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587789520 CLARAQLYKXRFQQ-BMIGLBTASA-N 330.241 3.764 0 1 EHAF O=C(c1cnn(-c2ccccc2)c1)n1nc2cc1Oc1ccc(F)cc1-2 587876671 VIEOZGSLEWAZNX-UHFFFAOYSA-N 346.321 3.669 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCO2)N1 587835321 VHVTYCXOOKWBPH-TURNYIBQSA-N 328.225 3.517 0 1 EHAF O=C(O)CCC(=O)Nc1ccccc1-c1cc2c3c(cccc3n1)CC2 587213225 PMIMNTRNNBKPOU-UHFFFAOYSA-N 346.386 3.804 0 1 EHAF O=C(O)c1cc(F)cc2nc(COC/C=C\c3ccccc3)[nH]c12 587780587 DYHGYTGUMNDLIF-DAXSKMNVSA-N 326.327 3.630 0 1 EHAF CCOC(=O)c1c(-c2ccccc2F)[nH]c2c(C(=O)O)cccc12 587637253 FZNKICTZZSJPPK-UHFFFAOYSA-N 327.311 3.849 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(Cc1c[nH]c4ccccc14)[C@@H](C2)C3=O 587439814 XBQREUQEJQUTOS-HRAATJIYSA-N 333.387 3.925 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccnc1C 587863280 XEBRPCJJZQTXET-UHFFFAOYSA-N 334.301 3.665 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCN(C)CC2)N1 587770213 RFNSKKXVRVKUJZ-HWPZZCPQSA-N 341.268 3.505 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@@]3(CSC)C(F)(F)F 963057848 OYRPVVOPJVSLLU-OAHLLOKOSA-N 342.386 3.510 0 1 EHAF O=C(O)c1ccnc(-c2ncn(CC3CC3)c2-c2ccc(F)cc2)c1 225952795 CRVQLJOEUPYQFD-UHFFFAOYSA-N 337.354 3.859 0 1 EHAF CC1(C)CC(=O)c2c(SCCCO)sc(-c3cc[nH]n3)c2C1 13520378 RQVLKKWTJBIEOX-UHFFFAOYSA-N 336.482 3.768 0 1 EHAF O=C(NCc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1 14973795 NPLQZQGAZAUUTB-UHFFFAOYSA-N 345.200 3.647 0 1 EHAF CCC/C=C/[S@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O 169729688 XCEOUXHWXRIWSV-CJHOVAGGSA-N 336.409 3.690 0 1 EHAF C[C@H](Cc1n[nH]c(=O)c2c1CCCC2)c1cccc(Br)c1 167534110 WXKXLYANSQVEQR-LLVKDONJSA-N 347.256 3.757 0 1 EHAF NC(=O)c1cc(-c2ccc(Cl)cc2)ccc1N[C@H]1CC[C@H](O)CC1 1857628908 FSKURKQFMNEPQD-WKILWMFISA-N 344.842 3.821 0 1 EHAF C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C(=O)c5[nH]ncc5C[C@]4(C)[C@@H]3CC[C@@]21C 5546144 JIKWZDFWABFBJE-JQKLCNKPSA-N 342.483 3.758 0 1 EHAF C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(C(=O)CO)=CC[C@H]12 6469386 WEOYXWGUTMJDSH-FIZLFTKOSA-N 328.452 3.616 0 1 EHAF biogenic COc1ccccc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579603 YRAUTLYWIVLAAX-QGZVFWFLSA-N 347.842 3.628 0 1 EHAF Cc1ccc([C@H]2OC(=O)O[C@]2(Cn2cncn2)c2ccc(C)cc2)cc1 26008660 SZECVRQNFDXUCS-UYAOXDASSA-N 349.390 3.699 0 1 EHAF Cc1ccc2c(c1)NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 28884034 NEFBWKSWDVSXTN-UHFFFAOYSA-N 331.371 3.693 0 1 EHAF COc1ccc([C@H]2CC[C@@H](OCCc3cccnc3)O2)cc1OC 29318212 MOXOXGNMYAFZBJ-APWZRJJASA-N 329.396 3.536 0 1 EHAF Cc1ccccc1CN1CCC(Cn2c(=O)oc3ccccc32)CC1 40406502 SZLZXAYSBXQTJH-UHFFFAOYSA-N 336.435 3.815 0 1 EHAF O=C1O[C@H](COc2ccccc2)C=C1c1ccc(Br)cc1 45366703 GSXJOZFWPHEFML-HNNXBMFYSA-N 345.192 3.837 0 1 EHAF CC(=O)N1N=C(c2ccncc2)O[C@H]1c1ccc(Cl)cc1Cl 72178686 KNHFSCIJTQXKOW-HNNXBMFYSA-N 336.178 3.628 0 1 EHAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1cccc(-c3nccs3)c1)O2 84605150 GICLXVPHVQLGJY-FXUDXRNXSA-N 329.421 3.634 0 1 EHAF CC1=N[C@@](c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N 95575068 TVFLMALGICYVSV-OAQYLSRUSA-N 326.403 3.781 0 1 EHAF C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1cnc2cnc3[nH]ccc3c21 95580005 ZPKCXUJQHWHDAJ-BEFAXECRSA-N 345.450 3.996 0 1 EHAF CCNC(=O)/N=c1/[nH]c2ccc(-c3ccccc3OC(C)C)cc2[nH]1 95604193 WQTQFCFZCPXAEF-UHFFFAOYSA-N 338.411 3.580 0 1 EHAF Cc1cc(C(=O)Cc2cccc([C@]3(C)CCSC(N)=N3)c2)c(C)o1 96172028 PWSYYQDLKFZDTH-IBGZPJMESA-N 342.464 3.989 0 1 EHAF CCC[C@@H]1C(C(=O)OCCSC)=C(C)N=C(C)/C1=C(/O)OCC 100038053 FTDCOGCKEIHMLU-YZGLPLCXSA-N 341.473 3.864 0 1 EHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccsc3)cc2)C[C@H]2CC[C@H]1N2 101004822 BFMOQGLGYMZXPC-BRSBDYLESA-N 327.449 3.812 0 1 EHAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccccc1 169728422 GPCICTPUAJXVQX-ROUUACIJSA-N 325.408 3.677 0 1 EHAF CC(C)Oc1cccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)c1 204412233 REDFIIMQDPZYLN-FQEVSTJZSA-N 346.446 3.781 0 1 EHAF Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@@H]2CCCN(C(C)C)C2)n1 299850811 GOAOXOWRJXCDTK-QGZVFWFLSA-N 339.439 3.738 0 1 EHAF CC[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586889004 KJRPDDLLDPUHSB-ZANVPECISA-N 332.347 3.760 0 1 EHAF CCOC(=O)c1ccc2[nH]c(C(=O)Nc3ccccc3Cl)nc2c1 587060300 KMWMSKRZMYTTBV-UHFFFAOYSA-N 343.770 3.645 0 1 EHAF C[C@@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357392 NMLQNYNCDQDVKV-OACQNMCBSA-N 342.366 3.828 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CO)(c1ccccc1Cl)CC2=O 587461375 JWPYWTJVKYMMSC-LJQANCHMSA-N 346.810 3.851 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)ccn1)CC2=O 587483373 CLYLFAWHRGGOBN-GOSISDBHSA-N 327.380 3.845 0 1 EHAF O=C1C[C@@](CO)(c2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 587506054 OFPWXHULMGGJQL-HXUWFJFHSA-N 344.357 3.697 0 1 EHAF COCC(C)(C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587788919 AJBMQOATCXVUFD-OTYXRUKQSA-N 330.241 3.836 0 1 EHAF Cc1noc(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587793104 JOOVOUYZQSGUPJ-ZIDLFYJRSA-N 339.208 3.817 0 1 EHAF Cc1n[nH]c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587808355 YVJGQTVOCDWSIC-ZIDLFYJRSA-N 338.224 3.552 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCC(=O)O)N1 587832116 YTPRDPTUGIJXKE-VFZGTOFNSA-N 344.224 3.593 0 1 EHAF C[C@H]1C(=O)CC[C@H]1Cc1nc2c(Br)cnc(Cl)c2[nH]1 587963775 STEIWSSQQLGQDM-RQJHMYQMSA-N 342.624 3.532 0 1 EHAF Cc1cc2c(cc1F)[C@](CC(=O)C(F)F)(c1ccccc1)NCC2 962303844 XEJLTEOQWXESEQ-IBGZPJMESA-N 333.353 3.748 0 1 EHAF CC(C)[C@@]1(Cn2cncn2)NCCc2cccc(-c3ccccc3)c21 962659146 ARVFBMABYPJOLR-OAQYLSRUSA-N 332.451 3.642 0 1 EHAF CCOC(=O)C1([C@]2(C)c3ccsc3CCN2Cc2ccco2)CC1 962717993 WEMFBRZWFCXRII-SFHVURJKSA-N 345.464 3.958 0 1 EHAF COc1ccc2c(c1)CCN(C[C@H](F)CCc1ccccc1)C[C@H]2O 1857621010 PNYGMIYJAXICCW-WIYYLYMNSA-N 343.442 3.558 0 1 EHAF CCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(C(F)(F)F)cc2)C1 61905382 NUEJMIBYCGHVDS-KRWDZBQOSA-N 342.405 3.834 0 3 EHAF Cc1cc(C)nc(Nc2nc([C@H](N)CCc3ccccc3)cs2)n1 61907647 CVCLBXLQRVKPNW-OAHLLOKOSA-N 339.468 3.926 0 3 EHAF CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 767985 SOJLNCMLNPFNMG-NVXWUHKLSA-N 346.789 3.659 0 1 EHAF Cc1ccc2c(c1)O[C@@H](C)[C@@]21CC[C@@]2(O)c3ccc(C)cc3O[C@@H]2O1 2356417410 AGFAYIPDDGSEBN-DJJZHVJBSA-N 338.403 3.696 0 1 EHAF O=C(NCc1ccc(Cl)cc1)c1cc2cccc(O)c2cc1O 6567628 GWKYLSPGXDVNHO-UHFFFAOYSA-N 327.767 3.834 0 1 EHAF O[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2cncc21 27190153 ZBYUCNDWIVKTRN-KRWDZBQOSA-N 327.746 3.507 0 1 EHAF Nc1nc(=O)[nH]c2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 103290776 KQXAJSLBLWQJHK-INIZCTEOSA-N 341.370 3.791 0 1 EHAF N=c1c(Cc2ccccc2)c[nH]c(=O)n1-c1ccc(Cl)c(Cl)c1 101052852 GUVJDSPNXVQTRH-UHFFFAOYSA-N 346.217 3.543 0 1 EHAF CCN1CCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 22925224 KVCCOUNQAONHEJ-MRXNPFEDSA-N 347.915 3.985 0 1 EHAF CC(C)N(CCN[C@@H]1c2ccccc2OCc2ncccc21)C(C)C 27868610 QQAMLROJZCNSPD-NRFANRHFSA-N 339.483 3.772 0 1 EHAF Cc1cc2c(s1)c1cnn(Cc3cccc(C)c3F)c(=O)c1n2C 36380292 UWMMRQQGHBJVJX-UHFFFAOYSA-N 341.411 3.754 0 1 EHAF COc1cc(-c2nnc(SCc3ccccc3F)o2)ccc1O 84708671 FQDZLXJVYATVCI-UHFFFAOYSA-N 332.356 3.882 0 1 EHAF O=C(NCCCCCCn1nnc2ccccc21)Oc1ccccc1 473126375 SKEPRJMFJSLILD-UHFFFAOYSA-N 338.411 3.780 0 1 EHAF COC(=O)c1ccc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1OC 587252143 RVGXODCPXUBSFQ-UHFFFAOYSA-N 347.374 3.761 0 1 EHAF CCN(C)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587427141 CAUDGCAXGBDUGX-UTKZUKDTSA-N 337.419 3.814 0 1 EHAF CC(C)OC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591808 FBZDJTGAVXNQMT-APWZRJJASA-N 328.364 3.538 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(CCOCc3ccccc3)nc2c1 587566161 YJRGBXRAENKGKD-UHFFFAOYSA-N 344.798 3.762 0 1 EHAF FC(F)(F)c1cc(Cc2nc3ncc[nH]c-3n2)cc(C(F)(F)F)c1 587110351 RYJFICVPJVLLRG-UHFFFAOYSA-N 346.234 3.933 0 1 EHAF CCOC(=O)[C@H](CC)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587400192 OSDFCXLGCZUXRB-LIRRHRJNSA-N 333.428 3.527 0 1 EHAF CCc1nc(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587451446 OHFZFNYYMUDRHF-XIKOKIGWSA-N 329.421 3.685 0 1 EHAF Fc1cnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 587016914 DZYZLDLDPSQMHZ-UHFFFAOYSA-N 338.367 3.822 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1nc4ccc(C)cc4[nH]1)[C@@H](C2)C3=O 587438330 NPTMLWREIPSEOI-RBZFPXEDSA-N 334.375 3.543 0 1 EHAF COc1ccc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2c1 587156494 OUUYDYGMMLKXFX-UHFFFAOYSA-N 338.342 3.572 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C(=O)O)(c2ccccc2F)N1 962961589 XPFNKXHMIVKDNE-YUNKPMOVSA-N 338.382 3.560 0 1 EHAF CC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 13223225 UGJQCBGRYMZZFI-UHFFFAOYSA-N 341.374 3.712 0 1 EHAF COc1cc2ccc1Oc1cc(ccc1O)[C@@H](O)CC(=O)CCCC2 15251173 LSAKHXDZRQBYTG-KRWDZBQOSA-N 342.391 3.912 0 1 EHAF endogenous,in-man Clc1cc(Nc2n[nH]c3cccnc23)cnc1Oc1ccccn1 166956235 NMEOSLOGBBVUHF-UHFFFAOYSA-N 338.758 3.937 0 1 EHAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 153244448 KKKOTCYOROYVJG-QFXSYEANSA-N 334.500 3.566 0 1 EHAF COc1ccc2[nH]c([S@](=O)Cc3ncc(C)c(OC)c3C)cc2c1 34214887 JDZINPGYLDQVQR-DEOSSOPVSA-N 344.436 3.505 0 1 EHAF CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 772702 UYUSJPFZSHEEPY-HIFRSBDPSA-N 334.828 3.582 0 1 EHAF C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102048674 MHGMYQNJCFLCSU-PVAVHDDUSA-N 345.483 3.920 0 1 EHAF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OC[C@@H](O)CO)cc1 27519129 UEBADXJHEPLDRY-TYPHKJRUSA-N 344.451 3.812 0 1 EHAF CSc1nc(Nc2ccc(C(=O)O)cc2)cc(C(F)(F)F)n1 100904043 FEKDECHFDPRFAE-UHFFFAOYSA-N 329.303 3.659 0 1 EHAF O=c1c2c(c3cccnc3n1-c1cccc(Cl)c1)OCCCC2 28761724 GOYPPWWSRFSSFQ-UHFFFAOYSA-N 326.783 3.754 0 1 EHAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccn(C)c1 26672617 WLINDUAPIMNTOK-UHFFFAOYSA-N 335.429 3.815 0 1 EHAF C[C@H](Oc1ccc(Oc2cnc3cccc(Cl)c3n2)cc1)C(=O)O 29468810 LFJUCBUDWUQOHV-JTQLQIEISA-N 344.754 3.927 0 1 EHAF COc1ccc(Cl)cc1NC(=O)Nc1cc(=O)[nH]c2ccccc12 64274558 ACPVKVVXBYJLMT-UHFFFAOYSA-N 343.770 3.834 0 1 EHAF CCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1 34640620 ACIQALGPUWKCIP-GOSISDBHSA-N 346.386 3.881 0 1 EHAF Cc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)n1 33504926 WDGHSVAGRWFNGR-CQSZACIVSA-N 337.807 3.665 0 1 EHAF CCCCCC[C@@H]1OC(=O)C[C@@]1(Cc1ccc(OC)cc1)C(=O)OC 73167262 AQDJCCLMFUHPEN-FXAWDEMLSA-N 348.439 3.683 0 1 EHAF Nc1nccc(-c2ccc3nc([C@@H]4COc5ccccc5C4)oc3c2)n1 40860237 IAGRGOGDETYHFL-AWEZNQCLSA-N 344.374 3.586 0 1 EHAF Cc1ccccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc21 40979559 BLFLCAHRUVIFSV-UHFFFAOYSA-N 335.281 3.623 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC(C)=O)c1)CC2=O 587476960 GXNJNMDQUBEYTK-IBGZPJMESA-N 340.375 3.977 0 1 EHAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587587764 OFXGLVINUTYFMQ-WIYYLYMNSA-N 347.370 3.973 0 1 EHAF CCCC(Br)(CCC)c1nc2cccc(C(N)=O)c2[nH]1 586971632 WIFBHLUGKJVDPK-UHFFFAOYSA-N 338.249 3.852 0 1 EHAF CCOc1ccc(OCC)c(-c2nc3cccc(C(=O)O)c3[nH]2)c1 587778014 HGUCYEWHLFHSEO-UHFFFAOYSA-N 326.352 3.726 0 1 EHAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CO 587527596 XEMUKNHYFZSPDT-HXUWFJFHSA-N 338.403 3.773 0 1 EHAF C=Cn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587759371 KOTVPWGQMWOICK-PSLIRLAXSA-N 336.208 3.509 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)n2)N1 587738294 MMMNNETWPSNMMZ-GLEZIHRCSA-N 339.183 3.746 0 1 EHAF O=C1CCc2cc3nc(Cc4c[nH]c5ccc(F)cc45)[nH]c3cc2N1 587174744 KVCMUKAQHXNSJV-UHFFFAOYSA-N 334.354 3.659 0 1 EHAF COC(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1OC 587162660 YBDWYFXWXHPXSF-KGLIPLIRSA-N 340.354 3.768 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1O 587607292 HNNZBXSFGWBFDU-YLJYHZDGSA-N 334.327 3.801 0 1 EHAF Cc1cncc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587080231 NXAWHUHSSYVRIB-CYBMUJFWSA-N 325.803 3.644 0 1 EHAF N[C@H](N=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587080662 OEQJTKKEVLUDSI-QGZVFWFLSA-N 339.786 3.943 0 1 EHAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 587791802 GWOIQFRUVUNLHG-VXJOIVPMSA-N 339.208 3.682 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COc3ccc(Cl)cc31)O2 587379290 HLLGPSJFWMQDEB-SFHVURJKSA-N 327.767 3.997 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn3c(n1)CCCC3)CC2=O 587492768 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LLGNUOUFJSRIQB-VIFPVBQESA-N 326.318 3.544 0 1 EHAF Nc1nc2ncncc2cc1-c1c(Cl)cccc1Br 27301781 JKBHYDVAGSEMTJ-UHFFFAOYSA-N 335.592 3.690 0 1 EHAF Fc1c(F)c(F)c(CSC2=N[C@@H]3C=CC=CC3=N2)c(F)c1F 28644631 HJJCGCKDFLXRPI-SSDOTTSWSA-N 330.281 3.921 0 1 EHAF CCc1c(F)c(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)O[C@@H](C)CC3=O 29133854 LNKUYPYNHHUQPX-IUCAKERBSA-N 344.338 3.642 0 1 EHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)/C(=C/C(=O)O)CC[C@@H]4[C@@H]3CC[C@@H]12 40662721 RSHSEAUIGQPKLY-AXKIDSALSA-N 345.483 3.861 0 1 EHAF CNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45385157 SXHYASJCSPRVCT-SNVBAGLBSA-N 338.251 3.525 0 1 EHAF Cc1c(-c2nnnn2Cc2ccccc2)ccc(N2CCCC2)c1C 53159599 IURZFSRREOBDQF-UHFFFAOYSA-N 333.439 3.605 0 1 EHAF Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)cc(C(F)(F)F)c12 82053403 BNCRQXXLFYHLLP-UHFFFAOYSA-N 327.693 3.694 0 1 EHAF Cc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCC(C)C)n2)cc1 82191981 WDGIDBOLCBMHMW-KRWDZBQOSA-N 343.496 3.860 0 1 EHAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccc(F)c1 104115573 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FBHPVVYEGFCEER-XLIONFOSSA-N 340.375 3.539 0 1 EHAF C[C@H]1C[C@]2(C[C@@H](C)O1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587616177 JAISILYTLFJLFW-IBLWWLKCSA-N 340.375 3.680 0 1 EHAF CC(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649274 GMSRSARGLOISMG-UHFFFAOYSA-N 331.368 3.580 0 1 EHAF CCOc1ccc(OCC)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 587777785 DLTHQNMMSQWJRZ-UHFFFAOYSA-N 344.342 3.865 0 1 EHAF COc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)NC(=O)CC4)CC2 587946020 IJFPFSSHVDDFHK-AWEZNQCLSA-N 347.418 3.729 0 1 EHAF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587951868 UQYVYUSGFXUZRJ-UHFFFAOYSA-N 326.327 3.999 0 1 EHAF CC1=CCC[C@]2(C)[C@H]3CC[C@@](C)(O3)[C@@H]2CC2=C(C)C(=O)O[C@]2(O)C1 2356436976 CBMQMSLEHCTTCY-SCQOQHIRSA-N 332.440 3.642 0 1 EHAF CCCCNC(=O)c1ccc2c(c1)N(C)C(=O)c1ccccc1S2 3039900 HGKJRPVSHTWUCH-UHFFFAOYSA-N 340.448 3.958 0 3 EHAF O=C(OCc1c(-c2ccccc2)ncc2ccccc12)N1CCOCC1 36388734 KIKKRAULJOYTIN-UHFFFAOYSA-N 348.402 3.871 0 3 EHAF CC[C@H](C)NC(=O)COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2 423306 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C=CC(C)=CC=C[C@]1(C)C[C@H](OC(=O)C(C)=CC)[C@@H](O)C(C)(C)O1 2356541283 IJRHIVJLUNPRSS-SQGPQFPESA-N 334.456 3.871 0 1 EHAF CC(C)NC(=O)[C@@]1(C)CCCCN1Cc1cccc(C(F)(F)F)c1 61928472 GNQRLSOJDAIFTD-QGZVFWFLSA-N 342.405 3.975 0 3 EHAF CC(C)[C@H]1c2ccc(O)cc2C[C@H]2C(=O)N(C3CCCCC3)C(=O)N21 45301470 WNTLCYJHJNHJFK-ROUUACIJSA-N 342.439 3.611 0 1 EHAF COc1ccc(NS(=O)(=O)/C=C/c2c(F)cc(F)cc2F)cc1 96908637 NSDFKXQJFBBBBA-VOTSOKGWSA-N 343.326 3.525 0 1 EHAF C/C=C/c1ccc(OCc2cn(Cc3ccccc3)nn2)c(OC)c1 299872112 ZZWGBXPYTRPWHD-XVNBXDOJSA-N 335.407 3.947 0 1 EHAF COc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(OC)c1C 587786054 BSHPHPZLAQRTGY-UHFFFAOYSA-N 337.301 3.969 0 1 EHAF C[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584869 BJBCZKGCPBUDLD-YLJYHZDGSA-N 333.343 3.664 0 1 EHAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cnnc(O)c2[nH]1 587013970 DYHPEBMXBNPNIO-UHFFFAOYSA-N 343.799 3.811 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccc4)[nH]1)[C@@H](C2)C3=O 587436786 AQXNYZUAOPPAHB-LIRRHRJNSA-N 332.359 3.574 0 1 EHAF O=C1c2ccccc2-c2cc(-c3ccc(O)nc3)nc3ccc(O)c1c23 586988884 YZFZUCVFIBGLAC-UHFFFAOYSA-N 340.338 3.919 0 1 EHAF Oc1cc(-c2ccc(F)cc2)c(O)n1-c1ccnc(Br)c1 587940240 NUWORQQVFPAADT-UHFFFAOYSA-N 349.159 3.852 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1C[C@@H]2C=C[C@H]1C2 587604949 VYZINUFXSGILQS-WWCJSBTHSA-N 334.371 3.935 0 1 EHAF O=C(/C=C\c1nc2cc(C(F)(F)F)cnc2[nH]1)Nc1ccccc1 587245502 YMVPAUQIQYHGKX-SREVYHEPSA-N 332.285 3.629 0 1 EHAF CCO[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587814495 ZWSIQJMPKASXOF-JQAFLVLXSA-N 342.252 3.907 0 1 EHAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 586906290 AVQIBPHEUFGKSI-SSDOTTSWSA-N 336.178 3.846 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2)N1 587771725 CMJUGTVXZJEMAG-QFYYESIMSA-N 335.220 3.781 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(F)cc3)c1)O2 587384343 KKMWHHYCZSQZIF-SFHVURJKSA-N 337.354 3.609 0 1 EHAF CCOc1ccc(OCC)n1-c1cnc(Cc2ccc(F)cc2)nc1 587944761 HCWHBJKNXAGCFE-UHFFFAOYSA-N 341.386 3.795 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2)N1 587835146 VJISEUGITQEVHH-XXFAHNHDSA-N 336.204 3.917 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(OC)cc1C)[C@@H](C2)C3=O 587444029 QZYZRSHVHZHWLE-KKSFZXQISA-N 338.403 3.983 0 1 EHAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587772884 PKFUSIFQEJLTRP-QFYYESIMSA-N 335.220 3.915 0 1 EHAF Oc1cc([C@H]2c3ccsc3CCN2Cc2ccco2)c(F)cn1 962713207 UIZRHAJIRJMGLA-QGZVFWFLSA-N 330.384 3.729 0 1 EHAF C[C@@H]1C[C@H](NC(=O)c2cccc(-c3cccc(Cl)c3)n2)CCO1 207727583 OVABTRALKDLHGA-IUODEOHRSA-N 330.815 3.699 0 1 EHAF C[C@@H]1C(=O)c2c(O)cc3oc(=O)cc(-c4ccccc4)c3c2O[C@@H]1C 1617583 DLUPGSAQAPMEDY-WDEREUQCSA-N 336.343 3.765 0 1 EHAF COc1ccc2sc3c(c2c1)N[C@@H](Cc1ccccc1)CNC3=O 3647038 GMMKBMFISPUHMR-ZDUSSCGKSA-N 338.432 3.677 0 1 EHAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]13COC(=O)C1=CCC[C@H]32 15155556 BLXXJMVVAYFKDR-YCHIWFMISA-N 342.391 3.564 0 1 EHAF biogenic CCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O 27867551 ATTQDJZYFIDUQX-UHFFFAOYSA-N 330.391 3.635 0 1 EHAF COc1ccc(-c2cnccc2[C@@H]2SCC(=O)N2CC(C)C)cc1 28819665 PZEJSLYZZGUHMD-IBGZPJMESA-N 342.464 3.987 0 1 EHAF OC(c1cccnc1)(c1cccnc1)[C@H](c1ccccc1)N1CCCC1 35846017 KVQINTYARDHBBP-NRFANRHFSA-N 345.446 3.550 0 1 EHAF CC(C)N[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O 40953490 FYWASTRPGPTOHI-YTCCEPPISA-N 349.559 3.727 0 1 EHAF CC1=CCC[C@@H]2[C@@](C)(CC/C(=C\C(=O)O)CO)[C@H](C)C[C@H](O)[C@@]12C 49032286 WRCVUQWHXHGCEC-RULSARSZSA-N 336.472 3.540 0 1 EHAF Cc1ccc2cc(-c3n[nH]c4ccc(NC(=O)CN(C)C)cc34)[nH]c2c1 66102278 VRSZUJMYAOBAFC-UHFFFAOYSA-N 347.422 3.520 0 1 EHAF Cc1nc(Cc2cccc3ccccc23)c(CCC(=O)O)c(C=O)c1O 103242025 AUWOHRUFVOQPRJ-UHFFFAOYSA-N 349.386 3.669 0 1 EHAF CC1(C)CC2=Nc3nc(O)nc(O)c3[C@@H](c3ccccc3)C2=C(O)C1 104082757 MEIYKRYMBPRODQ-ZDUSSCGKSA-N 337.379 3.738 0 1 EHAF O=C(CCc1ccccc1Cl)Nc1ccc([C@@H]2CCNC2)cc1 117743952 BTZDJKQJJANFCG-MRXNPFEDSA-N 328.843 3.988 0 1 EHAF Cc1ccc(OCC(=O)N(Cc2cccs2)c2c[nH]nc2C)cc1 166801457 XTMMOEXDBPKQKN-UHFFFAOYSA-N 341.436 3.700 0 1 EHAF C[C@@H](NC(=O)Nc1cc2n[nH]c(C(F)F)c2cn1)c1ccc(F)cc1 219773477 DPHJYLWRYNLWGL-MRVPVSSYSA-N 349.316 3.917 0 1 EHAF C/C(=C\C(=O)O)CC[C@@H]1[C@@](C)(O)C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 238770114 SJCQJLXYLFQJRA-JMELESISSA-N 338.488 3.762 0 1 EHAF CN1C[C@](O)(c2ccc(-c3cccs3)cc2)O[C@H]2CCCC[C@H]21 261139941 MXIZKFJQVCWRGU-ZIFCJYIRSA-N 329.465 3.833 0 1 EHAF COC(=O)c1cc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2cc1OC 586886460 GDORTHVKPJCNTK-VFNWGFHPSA-N 348.402 3.730 0 1 EHAF O=C1CCc2cc3nc(CCc4ccccc4Cl)[nH]c3cc2N1 587059531 SLYAGLIIRXWGNK-UHFFFAOYSA-N 325.799 3.886 0 1 EHAF FC(F)(F)[C@](F)(Cl)c1nc2c(Br)ccnc2[nH]1 587090691 VPDXVSRPLGGHGX-ZETCQYMHSA-N 332.482 3.644 0 1 EHAF COc1ccc(NC(C)(C)c2nc3cc(OC)cc(OC)c3[nH]2)cc1 587201175 IULNFZGNKZYVNC-UHFFFAOYSA-N 341.411 3.936 0 1 EHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(Cl)cc3[nH]1)C2 587245988 CBCKXGQVZWDKOF-SFHVURJKSA-N 327.815 3.568 0 1 EHAF CC(=O)[C@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587378449 OQGFHZNTYUOYFK-SFHVURJKSA-N 329.783 3.680 0 1 EHAF C[C@@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2c(C(=O)O)cccc12 587637048 BELGGLAZAHUJEP-SECBINFHSA-N 327.311 3.860 0 1 EHAF CC(C)OC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587791212 JFUSFSDHHOCHKT-BONVTDFDSA-N 330.241 3.763 0 1 EHAF CC(C)C(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587809829 BGRYRPHTTZFPAX-QLJPJBMISA-N 342.252 3.953 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)o2)N1 587826197 DENJSTRTYWUTLQ-GLEZIHRCSA-N 338.176 3.617 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C(F)(F)F)[nH]n1 587870834 JIINNSSSTPWAPU-UHFFFAOYSA-N 340.280 3.819 0 1 EHAF CN1CC[C@@H](C(=O)c2cncc(-c3ccc(Cl)c(Cl)c3)c2)C1=O 653717578 YMCQNJBDSASQQM-ZDUSSCGKSA-N 349.217 3.716 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnc3cc(C)nn3c2)N1 962945671 JOYSDPFSYPAINV-LIRRHRJNSA-N 331.423 3.533 0 1 EHAF CN(C)c1ccc2cc([C@H]3NCCc4c(C(=O)O)cccc43)ccc2c1 963121890 MCQFEPUERPFTLN-OAQYLSRUSA-N 346.430 3.839 0 1 EHAF COc1cc(F)c([C@H]2NCCc3c(OC)ccc(Cl)c32)c(F)c1 963268901 AQLWRKJJMDHFMG-KRWDZBQOSA-N 339.769 3.871 0 1 EHAF CN1CCc2c(Br)cccc2[C@H]1c1ccc2nccn2c1 963269362 IQAKKIAKIYAPQI-QGZVFWFLSA-N 342.240 3.674 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)[C@@H](OC)c1ccccc1 963607776 KEGQCFITCIKJHV-WVFSVQOHSA-N 341.451 3.841 0 1 EHAF CC(C)(N=c1nc(-c2ccncc2)[nH]c2cnccc12)c1ccccc1 1857596111 BWCJBDIOQYEFSB-UHFFFAOYSA-N 341.418 3.856 0 1 EHAF COc1ccc(C(F)(F)F)c2c(O)c(C(C)=O)c(SC)nc12 1857633775 XJPRZYKVTJSIKU-UHFFFAOYSA-N 331.315 3.892 0 1 EHAF Fc1ccc(-c2[nH]c3cc4c(cc3c2Cn2ccnc2)OCO4)cc1 1857636308 PEHACQGHHXBHHK-UHFFFAOYSA-N 335.338 3.948 0 1 EHAF COc1cc(OC(C)=O)c2c(c1Cl)O[C@H](c1ccccc1)CC2=O 2356303392 TUJQYDQSLRHDRP-ZDUSSCGKSA-N 346.766 3.980 0 1 EHAF CC[C@@H]1c2ccc(OC)cc2N2C(=O)C[C@]34C=CCN(C)[C@]23[C@@H]1CC4 2356478316 ZPZZXKOHHNKQTR-UAMLPYHUSA-N 338.451 3.533 0 1 EHAF CCOC(=O)CNCCCCOc1ccc(Cc2ccccc2)cc1 13475287 HRPQBRHASJDGSW-UHFFFAOYSA-N 341.451 3.589 0 1 EHAF O=C1NCCn2c(-c3ccc(F)cc3)c(-c3cc[nH]n3)c3cccc1c32 13584554 QLAWXEAEDQPMMS-UHFFFAOYSA-N 346.365 3.581 0 1 EHAF Clc1ccc(-c2noc(-c3occc3Br)n2)nc1 13671442 HNLXMMPRJSANGA-UHFFFAOYSA-N 326.537 3.808 0 1 EHAF Cc1nc(N2CCCC[C@@H]2CN(C)C)c2[nH]c(-c3ccccc3)cc2n1 13835010 DRPLTFIHCZOFME-QGZVFWFLSA-N 349.482 3.854 0 1 EHAF C[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1 14967356 YAQFNSNOLMJAPU-VIFPVBQESA-N 338.329 3.544 0 1 EHAF CC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 28951590 AZIZGTFREXFXEG-LMYCACMUSA-N 327.424 3.831 0 1 EHAF COc1ccc(C[C@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1C 45187119 MJWDZKNNOLMQIR-KBXCAEBGSA-N 333.859 3.911 0 1 EHAF CN1C(=O)[C@@]2(Nc3ccccc3S2)c2cc(Br)ccc21 49052113 JRGMOULFDBPXFQ-OAHLLOKOSA-N 347.237 3.796 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3cccn3C)cc1)O2 84616439 YOFKXSATJFBEHG-FPAYPSAMSA-N 325.408 3.516 0 1 EHAF CNC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1 95558402 XXWMAMCGORMRNI-LJQANCHMSA-N 348.450 3.988 0 1 EHAF CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCCCO2 95590251 TVTANTTXMLBIDA-SFHVURJKSA-N 336.391 3.546 0 1 EHAF CNc1ccc(-c2ccc3c(c2)CNC[C@H]3c2ccc(F)cc2)nn1 114505556 FBUHCPMYBAXIMM-SFHVURJKSA-N 334.398 3.560 0 1 EHAF Cc1cccc(NC(=O)Nc2cccc3c2[C@H]2CCCCN2C3=O)n1 116945154 PWWHQERJKXLERO-OAHLLOKOSA-N 336.395 3.715 0 1 EHAF c1csc(-c2cnc3sc(NCCc4ccncc4)nn23)c1 117613357 CAKXZZCCVXKAMY-UHFFFAOYSA-N 327.438 3.569 0 1 EHAF CCC[C@]12CCN(CC3CCC3)[C@H](Cc3ccc(O)cc31)[C@@]2(C)O 169316834 ZALKYEVJULRFOC-NJYVYQBISA-N 329.484 3.612 0 1 EHAF Oc1cccc(CCCCc2nc3c(Br)ccnc3[nH]2)c1 586896111 KVWUULTXXLJQOG-UHFFFAOYSA-N 346.228 3.991 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc2c1 586903479 PORKGOGDDBZWNS-IUODEOHRSA-N 342.782 3.572 0 1 EHAF Cc1nn(Cc2nc3ccc(F)c(C)c3[nH]2)c(C)c1Br 586978850 KXEDZTLSHBZGRO-UHFFFAOYSA-N 337.196 3.635 0 1 EHAF Clc1ccccc1NCc1nc2cc3c(cc2[nH]1)OCCCO3 587061913 LJZRARRZANVOPQ-UHFFFAOYSA-N 329.787 3.990 0 1 EHAF OCc1ccc(F)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 587140154 HJZOGTFAAKGTTM-UHFFFAOYSA-N 339.139 3.763 0 1 EHAF COc1ccc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587386158 SNILTGMKMGGEPN-CYBMUJFWSA-N 329.371 3.692 0 1 EHAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587399516 KLQRMOSKDTZYCF-KRWDZBQOSA-N 327.380 3.691 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc4cc(OC)ccc4n1C)[C@@H](C2)C3=O 587432182 UOZLCENZYQHWSO-BTYIYWSLSA-N 349.386 3.684 0 1 EHAF COc1cc2c3c(c1)O[C@@H](C(=O)c1ccc4ccccc4c1)[C@@H](C2)C3=O 587445427 JVVVOQNGELLBLZ-HTAPYJJXSA-N 344.366 3.847 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CC(=O)O)cc1)CC2=O 587489797 PCVDTBXWZGXQAM-GOSISDBHSA-N 340.375 3.678 0 1 EHAF C[C@@]1(c2cccc(C(=O)O)n2)CC(=O)c2ccc3c(c2O1)CCCC3 587513662 DPCMQYRIEIEPBL-FQEVSTJZSA-N 337.375 3.539 0 1 EHAF CC[C@H](CCC(=O)OC)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527004 VSTOXHQTHLKWBD-FZKQIMNGSA-N 330.424 3.879 0 1 EHAF COc1ccccc1-c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587559761 NMYRCVKIOBRHFZ-UHFFFAOYSA-N 345.358 3.779 0 1 EHAF CSCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614698 USDCDQYNGPISGY-GDBMZVCRSA-N 330.405 3.866 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cscn1 587619319 RSJIZYNTVXJQIQ-WMLDXEAASA-N 325.345 3.552 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1CCSCC1 587620339 YETJIYHLKMGJPC-APWZRJJASA-N 342.416 3.866 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCO[C@H](C)C2)N1 587841714 NMZANRASDSYNPJ-WMFXKJRFSA-N 328.225 3.517 0 1 EHAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 587963768 SRCIHHQQUJTLHZ-BQBZGAKWSA-N 343.171 3.761 0 1 EHAF C=C=C[C@@]1(C(C)(C)C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976469 ZXXHMUSMPJHAPT-SJKOYZFVSA-N 341.785 3.800 0 1 EHAF O=C(O)c1ccc([C@]2(c3ccccc3)NCCc3ccc(O)cc32)cc1 963340758 HVZCITOTJFQSOG-QFIPXVFZSA-N 345.398 3.528 0 1 EHAF NC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccccc1 1772600389 FWWDVBKRCMKPSY-HXUWFJFHSA-N 344.414 3.556 0 1 EHAF Oc1cccc(-c2ccnc3[nH]nc(-c4ccc5c(c4)OCO5)c23)c1 1857614954 ZDJSFIUCHYTHPL-UHFFFAOYSA-N 331.331 3.726 0 1 EHAF O=c1cc(-c2ccccc2)oc2cc(OC[C@@H]3CS3)cc(O)c12 1857748778 SUPTYJMPLBBDGW-CYBMUJFWSA-N 326.373 3.660 0 1 EHAF O=C(O)C(=O)Nc1ccc(/C=C\c2ccc(C(F)(F)F)cc2)cc1 1911572177 VDLNDIFFGWXVCP-UPHRSURJSA-N 335.281 3.899 0 1 EHAF O[C@@H](c1ccc(F)c(F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 61902388 CBCRQYYZNFMVOG-INIZCTEOSA-N 347.342 3.899 0 3 EHAF COc1c(C)cc([C@H](O)c2nc(-c3cccc(F)c3)c[nH]2)cc1C 61904359 RDBFMNJGLQGDQR-KRWDZBQOSA-N 326.371 3.923 0 3 EHAF COc1ccc2[nH]cc(CN3CCC(O)(c4ccccc4)CC3)c2c1 53244074 DGGPZCDYOYMIGP-UHFFFAOYSA-N 336.435 3.660 0 1 EHAF Nc1cc(/C=C2\SC(=O)NC2=O)ccc1OCCC1CCCCC1 115791080 GLOHGHRITYOSLB-WJDWOHSUSA-N 346.452 3.942 0 1 EHAF CC1(C)CC2=Nc3nc(O)nc(O)c3[C@@H](c3cccs3)C2=C(O)C1 100704004 GVBBBWCLFVUZEK-LBPRGKRZSA-N 343.408 3.799 0 1 EHAF CC(=O)N1CCC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26944184 PAPPHBRFOXAGKW-MZNAPKCPSA-N 333.516 3.991 0 1 EHAF CCN1CC[C@@H]2[C@H](C1)c1ccc(C)cc1[C@H]2c1ccc(C(N)=O)cc1 27867398 ORWVORZOUAFLJX-NRSPTQNISA-N 334.463 3.665 0 1 EHAF CCNC(=O)[C@@]1(C)CCCN(Cc2csc(-c3ccccc3)n2)C1 61908054 AUMDRXRCZSXOEB-IBGZPJMESA-N 343.496 3.548 0 3 EHAF COCCNc1nc(Oc2cncc(Cl)c2)c2sccc2n1 61903439 DPYYBSWDHJHMLK-UHFFFAOYSA-N 336.804 3.590 0 3 EHAF CC1=NN(CCOc2ccc3c(c2)Nc2ccccc2S3)C(=O)C1 27656818 BPLZAZKFQLXARJ-UHFFFAOYSA-N 339.420 3.882 0 1 EHAF C[C@H]1SCN(CCCNc2ccnc3cc(Cl)ccc23)C1=O 35091127 YRMQOBKLBSVRPJ-LLVKDONJSA-N 335.860 3.612 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C 13543340 JSGVCWDJNUVILL-XITMGRHOSA-N 348.458 3.786 0 1 EHAF biogenic CC[C@H](C)NC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1F 82152288 KDJGUUUEKQRRNQ-LBPRGKRZSA-N 342.418 3.633 0 1 EHAF Oc1cccc(-c2nc3ccc(C4=N[C@H]5CCCC[C@@H]5N4)cc3[nH]2)c1 45226518 VKALQAQSZJKIQG-HOTGVXAUSA-N 332.407 3.597 0 1 EHAF C/C1=C\CC[C@@H](C)[C@@H]2CC[C@](C)(O2)[C@H](O)[C@@H](O)c2c(C)coc2C1 238755775 MDOFFBZEZOKVIK-RYDWTECCSA-N 334.456 3.839 0 1 EHAF COC(=O)[C@@]12C=C[C@@H]1[C@@H]1[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]1(O)C2 238749135 DIESKYKUAGQRNF-PAHSBEQXSA-N 344.451 3.745 0 1 EHAF Cc1cc(C)cc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)c1 299826819 UBLIDZNUTFMUEI-UHFFFAOYSA-N 338.342 3.672 0 1 EHAF CO[C@H](C)COC1CCC(c2nc3c(C)cnc(Cl)c3[nH]2)CC1 587952322 OTJNVPNEWOZKPS-PNESKVBLSA-N 337.851 3.997 0 1 EHAF Nc1cnc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)nc1 587252813 NSXDCOIKVLFJBW-UHFFFAOYSA-N 347.222 3.640 0 1 EHAF Clc1ccccc1OCc1ccc(-c2nc3ncncc3[nH]2)o1 587065098 SWKIVLYQRDTRLC-UHFFFAOYSA-N 326.743 3.845 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2NCCc3cccc1c32 587481834 ICRAOFHKAZDNPL-VGSWGCGISA-N 349.430 3.796 0 1 EHAF FC(F)(F)c1cc2nc(-c3csc4c3CCOC4)[nH]c2cn1 587031771 LZKBXAFLBYWJPQ-UHFFFAOYSA-N 325.315 3.778 0 1 EHAF COC(=O)C[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1C 587521300 BTXOQDUSNVFQFJ-YHQOMNDMSA-N 342.435 3.879 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1C(=O)OCC)CC2=O 587479958 MLVSODFEHGNENA-YWZLYKJASA-N 346.423 3.802 0 1 EHAF COc1cc2c3c(c1)O[C@@](c1ccccn1)(c1cccs1)[C@@H](C2)C3=O 587453552 XEJTYGGNDLHQHM-XOBRGWDASA-N 349.411 3.843 0 1 EHAF FC(F)COc1cccc(-c2nc3c(ccc4ncccc43)[nH]2)n1 587122997 HHSNZGZNVSAMOF-UHFFFAOYSA-N 326.306 3.817 0 1 EHAF CC1=C(c2ccc3nc(CC4CCCCCC4)[nH]c3c2)NNC(=O)C1 587961050 PATOUAQWZAHEMR-UHFFFAOYSA-N 338.455 3.831 0 1 EHAF Nc1cc(Cl)ncc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503020 WBTMCJTULCUEBC-INIZCTEOSA-N 328.799 3.903 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4cncnc4)c1)[C@@H](C2)C3=O 587435134 CCOOFEGQSVCYMK-LAUBAEHRSA-N 344.370 3.641 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C2CC2)N1 587814092 FVUNHJSNMBNGEK-JDNHERCYSA-N 340.236 3.707 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)(c1cccs1)O2 587413117 MGUDSVQDMGIPMT-LJQANCHMSA-N 336.416 3.943 0 1 EHAF CCC1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)COC1 587832003 ASOOOGRVSFHUKT-BONVTDFDSA-N 342.252 3.764 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C(=O)O)(c2ccccc2F)N1 962961584 XPFNKXHMIVKDNE-MPBGBICISA-N 338.382 3.560 0 1 EHAF Cc1ccnc(NC(=O)c2ccccc2-n2cc3ccccc3n2)c1 1772636912 KJBVTJICLKZPBC-UHFFFAOYSA-N 328.375 3.981 0 1 EHAF Cc1cc(C)c(C[S@@](=O)c2nc3cc(Cl)ccc3[nH]2)nc1C 13603909 SNZFTTBUGOTTEW-QFIPXVFZSA-N 333.844 3.844 0 1 EHAF COC(=O)N1C[C@H](C)[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 13745007 FJLVGNYIAHIESD-XJKSGUPXSA-N 333.428 3.818 0 1 EHAF CCc1csc(NC(=S)NCCc2c(F)cccc2F)n1 13744913 JOHAYHVXYQNTLV-UHFFFAOYSA-N 327.425 3.513 0 1 EHAF COC1=C[C@@H]2[C@H](C=C1)Sc1ccccc1N2C[C@H](C)CN(C)C 169296096 WNYJOWFYNPMSRO-BJZITVGISA-N 330.497 3.634 0 1 EHAF CCC(C)(C)CSCCCNC[C@@H](O)COc1ccccc1 169331252 BGOLCSCOTCCXRB-MRXNPFEDSA-N 325.518 3.575 0 1 EHAF CC1(C)CN(c2ccccc2)C(=O)[C@H]1OC(=O)[C@@]1(C)C[C@@H]2C=C[C@H]1C2 5963657 LTORIIULGWJLFO-QJLMEOIESA-N 339.435 3.574 0 1 EHAF C[C@@H](CCO)CC[C@H]1C(C(=O)O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C 13330325 DWSLSQNKRUODOY-FHXVVSRQSA-N 338.488 3.619 0 1 EHAF CC[C@@]12C=CCN(CCc3c([nH]c4ccccc34)[C@H](C(=O)OC)C1)C2 14829295 DWRWMNKQJGGHFK-DYESRHJHSA-N 338.451 3.639 0 1 EHAF biogenic O=C(O)COc1ccc2c(-c3cc(F)ccc3F)noc2c1Cl 27517484 DIMRKVXHUJSSHY-UHFFFAOYSA-N 339.681 3.890 0 1 EHAF Cc1c(-c2cccs2)nc(OC[C@H](C)N)nc1-c1cccs1 28524320 INJNHDAWCLCHBW-JTQLQIEISA-N 331.466 3.968 0 1 EHAF Clc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1 28530942 OEIWNDGDGDPXIO-UHFFFAOYSA-N 328.803 3.641 0 1 EHAF CC[C@@H](C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O 28951012 KUSYVEXRVZWVBV-SSDOTTSWSA-N 348.255 3.551 0 1 EHAF FC(F)(F)c1cc(Nc2ccncc2)nc(NCc2ccncc2)n1 45393621 ADZDYXMEINDEGV-UHFFFAOYSA-N 346.316 3.641 0 1 EHAF CCC(CC)Oc1ccc(-c2nc(CNCCCN(C)C)co2)cc1 72102475 SVTUDXYDYGSYGU-UHFFFAOYSA-N 345.487 3.950 0 1 EHAF CC[C@H](C)NC(=O)c1cnc(NCC2CC2)nc1-c1cccc(C)c1 82160142 CYMMMYXDQYINNR-AWEZNQCLSA-N 338.455 3.802 0 1 EHAF O=C(NCc1ccccc1F)Nc1nc(-c2ccncc2)cs1 165456946 WAJISDOQPUVLIR-UHFFFAOYSA-N 328.372 3.666 0 1 EHAF CCCCC[C@H]1/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 231931107 BJXHXZDHQUYRMA-BRNHSORCSA-N 334.456 3.731 0 1 EHAF C[C@@H](CCCN1CCN(C)CC1)Nc1ccnc2cc(Cl)ccc12 299837932 SUYZCCHDUDHNJY-HNNXBMFYSA-N 346.906 3.716 0 1 EHAF CCc1cc(O)nc(SCc2nc3ccc(C(C)(C)C)nc3[nH]2)n1 586967111 UUMZZFZCLVJOIP-UHFFFAOYSA-N 343.456 3.606 0 1 EHAF COc1ncc(F)cc1-c1nc2c(C)cc(Br)cc2[nH]1 587176383 QWMODIJZZBZAMD-UHFFFAOYSA-N 336.164 3.844 0 1 EHAF COc1cccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)c1 587214516 RNTSLRNSPFGPIF-GOSISDBHSA-N 329.399 3.989 0 1 EHAF COc1cccc(N2C[C@H](C(=O)c3coc4ccccc34)CC2=O)c1 587281106 VUCCKLAHABWLCI-CYBMUJFWSA-N 335.359 3.677 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)OC(F)(F)O3)O2 587381282 GHXABHGBZXFWPS-AWEZNQCLSA-N 333.290 3.605 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)c(F)c(O)c(F)c1F)O2 587382707 UFJAUVSEDROONM-SECBINFHSA-N 341.260 3.546 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nc3scc(C)n13)O2 587412346 ANMQWIHVTILBLI-CQSZACIVSA-N 327.409 3.610 0 1 EHAF Cc1ncsc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616907 HFEYNPKSPMFJLY-RHSMWYFYSA-N 339.372 3.860 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(CO)CC2)N1 587825366 HKPDTNFNSLNLJQ-SGWRBKMISA-N 342.252 3.500 0 1 EHAF CC(C)Cn1cc(-c2cc[nH]c(=N)n2)c2ccc(Br)cc21 1857536731 WDBUNLSNACSTOT-UHFFFAOYSA-N 345.244 3.929 0 1 EHAF C[C@H](c1ccc(O)cc1)[C@H](O)N1CCC(Cc2ccccc2)CC1 1857547475 JOVJMUHKBUFINJ-IERDGZPVSA-N 325.452 3.769 0 1 EHAF c1ccc(O[C@@H]2COCCN(c3nc4ccccc4s3)C2)cc1 2356448920 UQVMFGXCXWSWGY-HNNXBMFYSA-N 326.421 3.581 0 1 EHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@H](O)[C@]2(C)O 2356532337 JWWWAEIMVGEDRK-HFJXXIIPSA-N 338.488 3.762 0 1 EHAF CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2cncs2)C1 12227952 PCMJRELXJDVGBZ-LBPRGKRZSA-N 346.477 3.600 0 3 EHAF COC(=O)c1cc(OC)c2[nH]c3ccccc3c2c1C=CC(C)(C)O 2356397618 GOGHABCCDYNZSW-UHFFFAOYSA-N 339.391 3.900 0 1 EHAF O=C(CSc1nccc(-c2cccnc2)n1)c1ccc(F)cc1 2523482 OHUWPRZKNUSWIB-UHFFFAOYSA-N 325.368 3.653 0 1 EHAF C[C@H]1CCC[C@@H](C)N1CCCC(O)(c1ccccn1)c1ccccn1 29558719 LXKWJTWZTYWAPV-HDICACEKSA-N 339.483 3.756 0 1 EHAF CN(C)CCCN1c2ccccc2Sc2ccc(C(=O)O)cc21 29325379 AUZCQLVUNHMYAJ-UHFFFAOYSA-N 328.437 3.939 0 1 EHAF CCC(CC)CN1CCC(CN2C(=S)NC[C@@H]2[C@@H](C)CC)CC1 61936137 BRVPGLDCVJGWRS-MAUKXSAKSA-N 339.593 3.739 0 3 EHAF CCCNC(=S)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc[nH]1 28653527 PFSGEFFUKDWKEA-KRWDZBQOSA-N 326.469 3.759 0 1 EHAF COc1cc2c(cc1OCC(C)C)CCN=C2C(=O)c1ccccc1 27559948 BLJRVGIGGBUYBX-UHFFFAOYSA-N 337.419 3.958 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@@]2(CO)[C@H]1C 2356679477 WQFXWUMJCAMKEK-DKYLXPRQSA-N 332.440 3.589 0 1 EHAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCC[C@H](C)[C@@H](O)CC(=O)O 2356874080 YSGUUARLOQGQKX-KCXAZCMYSA-N 326.433 3.632 0 1 EHAF COc1cc2occc2c2occ(-c3ccc4c(c3)OCO4)c(=O)c12 6017913 HEOAJOAZVYRLMA-UHFFFAOYSA-N 336.299 3.944 0 1 EHAF biogenic COc1ccc(F)cc1-c1ccc2c(c1)COCC(=O)N2CC1CC1 74375037 VXWGPMNLANDEPO-UHFFFAOYSA-N 341.382 3.775 0 3 EHAF CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@@H](C(=O)O)[C@@H](C)N=C(N1)N23 212768110 AQRHDCLNKZPZEH-ZBRFXRBCSA-N 349.519 3.781 0 1 EHAF Cc1ccc(O)c(-n2cc(C(=O)c3ccc4ccccc4c3)nn2)c1 220581065 ARVYYAUMDWRFGX-UHFFFAOYSA-N 329.359 3.666 0 1 EHAF CN(Cc1ccccc1-c1cccc(Cl)c1)C(=O)C1CCNCC1 49055144 KMOSCYPQQAYAGB-UHFFFAOYSA-N 342.870 3.965 0 1 EHAF CC(C)(C)n1nnnc1[C@H](c1cc2ccccc2o1)N1CCCCC1 95570987 YPRJPRGCKQZKHR-KRWDZBQOSA-N 339.443 3.750 0 3 EHAF NC(=O)c1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1 299852438 SBFSSKKJPPYCSR-UHFFFAOYSA-N 347.403 3.596 0 1 EHAF Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C 587791789 NCNKILFVXAJDFI-NXSYQRQQSA-N 338.224 3.552 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC1(COC1)C3 586990645 HOKFKCKXUCCFJL-UHFFFAOYSA-N 343.382 3.657 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc(C)nc1Cl)O2 587380237 RFGQMFXBGMRFCG-LLVKDONJSA-N 338.194 3.689 0 1 EHAF CC[C@@H]1C[C@@]2(CCO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587831157 GZRYURONRPMSJK-KANYHAFZSA-N 342.252 3.907 0 1 EHAF CCN1CCCc2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 587445021 TVZKWSJTDDIGDK-VGSWGCGISA-N 349.430 3.956 0 1 EHAF COc1ccc2c(c1)C[C@@H](c1nc3cc(F)cc(C(=O)O)c3[nH]1)CC2 587947096 SKAIMKBFYRJPPI-NSHDSACASA-N 340.354 3.681 0 1 EHAF CN(C)c1ncccc1-c1nc2cc(-c3ccc(N)c(N)c3)ccc2[nH]1 587195565 JABROBAMPJDQGZ-UHFFFAOYSA-N 344.422 3.522 0 1 EHAF Cc1ccc2c(c1)-c1nc3cccc4c3c(c1CCS2(=O)=O)CC4 587216685 JRDVAOAJWJZYTC-UHFFFAOYSA-N 335.428 3.639 0 1 EHAF CCn1cc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)F)c(C)n1 587637611 LTRFDCOCPNYEEE-UHFFFAOYSA-N 347.321 3.506 0 1 EHAF O=CNC[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587103295 FFKYVYTWXAZNDY-CYBMUJFWSA-N 342.398 3.612 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1Cl)[C@@H](C2)C3=O 587421455 MFBWEWIYHLJCGV-UGSOOPFHSA-N 330.767 3.846 0 1 EHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(F)c(OC)cc3[nH]2)cc1 587785343 NELSTXAYNDPYDX-OLZOCXBDSA-N 340.354 3.654 0 1 EHAF C=C(NOCCCCCC(=O)O)c1cccc(Br)c1F 957644942 XYVNFKUFFNSXSD-UHFFFAOYSA-N 346.196 3.725 0 1 EHAF O=C(O)Cc1csc(Nc2ccc(OCCC(F)(F)F)cc2)n1 1772610970 WAHXDJUVVCTCST-UHFFFAOYSA-N 346.330 3.845 0 1 EHAF COc1ccc2c(c1)/C(=C\c1c(C)nc3sc(C)cn13)C(=O)N2 5800889 XUFZEPMSQVCWNC-NTUHNPAUSA-N 325.393 3.514 0 1 EHAF c1ccc(CCCN2CCC[C@]3(CCN(C4CCOCC4)C3)C2)cc1 15063774 MJNKBMDSCARIDC-QFIPXVFZSA-N 342.527 3.586 0 1 EHAF CCCCC[C@@H]1/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 169641029 BJXHXZDHQUYRMA-GKEZHNTDSA-N 334.456 3.731 0 1 EHAF Cc1cccc(OCc2cn3c(=O)n(-c4ccc(F)cc4)ccc3n2)c1 203690050 SLBUCFBPKYJQBD-UHFFFAOYSA-N 349.365 3.512 0 1 EHAF O=c1[nH]c2ccc(O)c(-c3ccc4c(c3)CNCC4)c2c2ccsc12 204653410 XWMZMQPUMXKNCF-UHFFFAOYSA-N 348.427 3.761 0 1 EHAF O=C(N=c1nc2cc(-c3ccccc3)ccn2[nH]1)c1ccc(Cl)cc1 1857544299 ZEUOXGHSOKZXLU-UHFFFAOYSA-N 348.793 3.724 0 1 EHAF O=C1/C(=C\c2ccccc2)c2[nH]cnc2CCN1Cc1ccccc1 1857644758 AICWUISKHGHLRZ-AQTBWJFISA-N 329.403 3.535 0 1 EHAF C[C@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 29325143 HOYGOGLDLPJTHF-ZTVIYSTHSA-N 339.479 3.676 0 1 EHAF CCOC(=O)c1c(-c2ccccc2C)[nH]c2cc(OC)ccc2c1=O 49072662 ZVTKISFUIZSQJH-UHFFFAOYSA-N 337.375 3.689 0 1 EHAF Clc1ccc(Oc2nc3ccsc3c3nnnn23)c(Cl)c1 84689647 NFLVXAGSWUUFIF-UHFFFAOYSA-N 338.179 3.833 0 1 EHAF COc1ccc(CNc2cc(-c3cccc(C(C)=O)c3)ncn2)cc1 82161685 BSRNYSFDJLJWKW-UHFFFAOYSA-N 333.391 3.967 0 1 EHAF C[C@H]1OC(=O)[C@]23CC[C@@H]4[C@H](CC=C5C[C@@H](O)CC[C@]54C)[C@H]2CC[C@@H]13 299808285 ODNGPDQXZHFBIW-SOPAGPRASA-N 330.468 3.852 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](CN(C)C(=O)OC(C)(C)C)CC2=O 587467022 BPEIKZMALRABIA-LBPRGKRZSA-N 349.427 3.545 0 1 EHAF OCc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134806 OVZPUBSWYJXTIT-DUXPYHPUSA-N 340.251 3.921 0 1 EHAF Clc1nccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587043432 ZLWZYLZVAWVFDI-QWHCGFSZSA-N 330.844 3.558 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(F)c2)N1 587737723 GVFZVZSWSAALFB-VXJOIVPMSA-N 339.183 3.746 0 1 EHAF Cc1nonc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990032 UEOJSVJRMPBYBS-UHFFFAOYSA-N 329.315 3.510 0 1 EHAF NC(=O)Nc1cccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1 587242612 VSLRPIONUOHMBC-UHFFFAOYSA-N 349.163 3.622 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1[C@@H]1CCCN1C)O2 587392500 ANZPHSDSOLZXMC-SYNHAJSKSA-N 328.456 3.566 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc4ccc(C)cc4nc1O)[C@@H](C2)C3=O 587435308 DKDOBUVQICYUEK-XOBRGWDASA-N 347.370 3.746 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC(=O)C2CC2)(C(F)F)N1 962939499 BNAAXUPTDPKAMT-BLVKFPJESA-N 332.394 3.922 0 1 EHAF C[C@@H]1C[C@H]([C@H]2NCCc3ccc(O)cc32)CCN1C(=O)OC(C)(C)C 963342016 QCVZNLLYCQGIPU-DDUZABMNSA-N 346.471 3.615 0 1 EHAF CC[C@@]1([C@H]2CCCNC2)NC2(CC2)Cc2ccc(Br)cc21 961617805 WIZRSXMGEZGYAK-KSSFIOAISA-N 349.316 3.732 0 1 EHAF COc1cc2nccc(C(=O)c3ccc4c(ccn4C)c3)c2cc1OC 1772592504 JYEZIVOVAFBJIX-UHFFFAOYSA-N 346.386 3.975 0 1 EHAF COc1cc2nccc([C@H](O)c3ccc4c(ccn4C)c3)c2cc1OC 1772608678 VBXXUTOOXGEABI-OAQYLSRUSA-N 348.402 3.825 0 1 EHAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3cccc(O)c3)nc21 5841929 IKZVNDBXJCSUFF-UHFFFAOYSA-N 346.390 3.597 0 1 EHAF O=Cc1ccc2c(c1)[C@@H](c1cc(O)cc(O)c1)[C@@H](c1ccc(O)cc1)O2 13340011 TYAYDVXOPBERFS-NHCUHLMSSA-N 348.354 3.882 0 1 EHAF biogenic CC1=C2CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)CC/C(C)=C/[C@@H]2OC1=O 15049265 KISXSEZMRISOQB-LZKPFJJBSA-N 334.456 3.587 0 1 EHAF C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CCc1ccccc1 169369870 RUMQBVLWLNKHTD-YTJPUZGESA-N 348.490 3.552 0 1 EHAF Cc1nc2nn(-c3ccccc3)c(O)c2c(O)c1Cc1ccccc1 103524119 ZCUONUSKWCYGAZ-UHFFFAOYSA-N 331.375 3.731 0 1 EHAF COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(-c3cccn3C)cc1)O2 101501364 YOFKXSATJFBEHG-JFRXWTBNSA-N 325.408 3.516 0 1 EHAF COc1cc2nc3c(c4c2c(c1OC)NCC4)CCc1ccccc1-3 28010437 CTZMLPIQJHTXEW-UHFFFAOYSA-N 332.403 3.986 0 1 EHAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2oc3ccccc3c2C)C1 61930241 YRVIGHNZGTUUGF-FQEVSTJZSA-N 342.439 3.510 0 3 EHAF CC[C@H](O)[C@H](O)/C=C/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O 112974830 WYCMUVNNXSREQB-BBJRFLMCSA-N 334.456 3.934 0 1 EHAF Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2CCN(C)CC2)sn1 28250271 ZHKDBOFRFXVGBP-LJQANCHMSA-N 329.513 3.912 0 1 EHAF Oc1ccc2c(c1)CN(C(=S)NCCc1ccc(Cl)cc1)CC2 29132022 MPGMAVMVSHUEPF-UHFFFAOYSA-N 346.883 3.521 0 1 EHAF CC(C)COc1ccccc1[C@H](c1ccns1)N1CCN(C)CC1 28249032 XDISHWVWTIZFLX-LJQANCHMSA-N 345.512 3.515 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C 2356513395 XXBKFKJZAXTGFB-YTRSDULBSA-N 332.440 3.953 0 1 EHAF CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356709242 UUOHXXXJRQGPLC-QHPZEKNNSA-N 332.484 3.918 0 1 EHAF C[C@@H](Oc1cccc(Oc2cnc3ccc(Cl)cc3n2)c1)C(=O)O 29478795 MUWRAQSYIBCRSZ-SNVBAGLBSA-N 344.754 3.927 0 1 EHAF CCCCC[C@@H](O)C(C)(C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 2356811420 BOLGBOZCCGUULF-IAGOWNOFSA-N 347.455 3.544 0 1 EHAF COc1cc2c(cc1OC)[C@@H](c1cccc(C(F)(F)F)c1)NCC2 33636302 SPNMLVPOPPPSCH-QGZVFWFLSA-N 337.341 3.958 0 1 EHAF COc1cc(CCC(=O)O)cc2cc(-c3ccc4c(c3)OCO4)oc12 13340686 CPAUEIICKFHUBY-UHFFFAOYSA-N 340.331 3.854 0 1 EHAF biogenic O=C(Nc1ccncc1)c1ccc2c(c1)Nc1ccccc1NC2=O 45302101 NZRFZJAHSHAEAC-UHFFFAOYSA-N 330.347 3.643 0 1 EHAF Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 96905857 NKBGPYFCMGMISS-DHDCSXOGSA-N 328.368 3.644 0 1 EHAF Fc1ccc2c(c1)nc1n2CCOc2ccc(Br)cc2-1 299869177 UDICFWKTQORNKI-UHFFFAOYSA-N 333.160 3.997 0 1 EHAF COc1cc(Cn2c3ccccc3c3cc(CO)cnc32)cc(OC)c1 653699380 DIYBTVCUASZXRH-UHFFFAOYSA-N 348.402 3.747 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(C(=O)c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419105 JKSYDQGKGKCWLI-IFXJQAMLSA-N 342.778 3.738 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)cnn1C)CC2=O 587463557 YRDQDQKTUBRXLQ-KRWDZBQOSA-N 334.803 3.612 0 1 EHAF Cc1ncc(-c2nc3ccc(C(=O)O)cc3[nH]2)c(C)c1Br 586979940 YRULXGAMNXXVSZ-UHFFFAOYSA-N 346.184 3.702 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2CCOCC2)N1 587835281 OWTAHDDBRSLWBS-QMTHXVAHSA-N 342.252 3.980 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1C)O2 587390752 IMWJWRSLCVKOCC-LJQANCHMSA-N 333.391 3.778 0 1 EHAF FC(F)COc1cccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)n1 587121966 AVFCQHYCGZCVAX-UHFFFAOYSA-N 345.136 3.971 0 1 EHAF Cc1cc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c(C)n1 587118754 OIWLSSBRAJSMRI-UHFFFAOYSA-N 335.333 3.716 0 1 EHAF COc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cn1 587132569 DKBITUZMINKDQZ-UHFFFAOYSA-N 340.141 3.643 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccccc1C(=O)O 587871404 GRELBZKJXNUXEX-UHFFFAOYSA-N 326.327 3.775 0 1 EHAF Cc1cnccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587790 PWEBNDJBXJJZHK-GHTZIAJQSA-N 347.370 3.973 0 1 EHAF CCCC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963610374 OXTUVRDFHCUTLO-XCLFUZPHSA-N 331.456 3.603 0 1 EHAF Clc1nc2ccccc2cc1Cn1nnc(Cc2ccccc2)n1 1772626632 LAPPZYOPOCJGJD-UHFFFAOYSA-N 335.798 3.514 0 1 EHAF Cn1c2c(c3ccccc31)C[C@@H]1c3cc4c(cc3CCN1C2)OCO4 209381312 PSSDQZMRAAKBRL-GOSISDBHSA-N 332.403 3.563 0 1 EHAF CC=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 1857554713 MBIOJNQCQZHPTQ-LATRNWQMSA-N 338.451 3.563 0 1 EHAF CNC(=O)c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2c1 584639792 RDJKDXOOXNKSCO-UHFFFAOYSA-N 342.402 3.662 0 1 EHAF C[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CCC1=CCOC1=O 2356418207 ZKUWHVKICYZVFY-JMLZYGAQSA-N 330.424 3.566 0 1 EHAF CC(C)=CC[C@H](O)C(C)=CC[C@]1(O)OC(=O)C(C)=C2CCC[C@]21C 2356426133 QHIGIWVSGGPMOB-SXLOBPIMSA-N 334.456 3.792 0 1 EHAF CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1OCC)C2 4373325 ZJDIMJHGWXGDLC-ALOPSCKCSA-N 330.472 3.611 0 1 EHAF CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)n1sc2ccccc2c1=O 6800101 ICCRVYGUBABUKA-AEGPPILISA-N 332.469 3.709 0 1 EHAF COc1ccc([C@@H]2C[C@@H](c3ccc(OC)c(O)c3)[C@H](OC)CO2)cc1 2356762181 FSYSRGAUQPAVQZ-FFZOFVMBSA-N 344.407 3.670 0 1 EHAF COc1cccc2c1Sc1ccccc1C[C@H]2N1CCN(C)CC1 22460876 SRVOKYAXROISDD-QGZVFWFLSA-N 340.492 3.691 0 1 EHAF CC(C)CN(Cc1ccccc1OC(F)(F)F)C1CCNCC1 36093169 DPQLHMMSFBIQBE-UHFFFAOYSA-N 330.394 3.795 0 1 EHAF COc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1 72123588 XRWMNWDIMGIJRH-UHFFFAOYSA-N 332.406 3.544 0 1 EHAF Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@@H]3c1ccccc1 73157627 RDMBAVXJFMQPBA-OAHLLOKOSA-N 334.400 3.973 0 1 EHAF COc1ccc2c(c1O)CCC=C2c1cc(OC)c(OC)c(OC)c1 84633883 KMHXPLFYVAJLJK-UHFFFAOYSA-N 342.391 3.805 0 1 EHAF O=C(NCCSCc1cccc(F)c1)c1c(F)cccc1F 49808119 AIILGIAVELVTNM-UHFFFAOYSA-N 325.355 3.767 0 1 EHAF CC[C@@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2ccc(F)cc2)n1 82216477 CHTNVLGHYOZNNZ-GFCCVEGCSA-N 330.407 3.585 0 1 EHAF CC[C@]12CCN(CCc3ccc(F)cc3)C[C@H]1Oc1c(O)cccc12 299848711 VVHSUUHMZLJMTM-TZIWHRDSSA-N 341.426 3.889 0 1 EHAF CC(C)CC(=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812834 LBNTZZJSHXTMAS-QFYYESIMSA-N 342.252 3.953 0 1 EHAF CCOC1CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587806930 BQIMNKBOZMTBOD-IWPPJYEWSA-N 328.225 3.517 0 1 EHAF CC(=O)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 587092551 VUDLBFBPZZUFQH-UHFFFAOYSA-N 335.285 3.769 0 1 EHAF N=c1[nH]c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 587507206 BAFHXHVFFSFIRV-QGZVFWFLSA-N 334.375 3.826 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnn(CCC)c1C)CC2=O 587475015 JZCNZDLUNPNVFQ-SFHVURJKSA-N 328.412 3.966 0 1 EHAF CC[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810524 CYZJTXRELNVBQA-ULMHFPJVSA-N 342.252 3.953 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=N)c1ccccn1 587862355 LJHFZSWMKGHLRJ-UHFFFAOYSA-N 346.312 3.846 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1Br)[C@@H](C2)C3=O 587413778 QEHNPLNWKCDHII-SJCJKPOMSA-N 345.192 3.946 0 1 EHAF O=C(Cc1ccccc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651309 QGMUHBOSPMWXAJ-UHFFFAOYSA-N 333.174 3.586 0 1 EHAF OCc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 586895791 ZDVAYSVOPLXUJW-UHFFFAOYSA-N 339.139 3.763 0 1 EHAF CC(=O)N[C@H](Cc1nc2cc(C)c(F)cc2[nH]1)c1ccc(C)cc1 587207406 SNSCIJDLLGBQOE-MRXNPFEDSA-N 325.387 3.739 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CC[C@H]1OCc1ccccc1)[C@@H](C2)C3=O 587441281 FXJNPXBETAQFMF-YRISNDGFSA-N 336.387 3.561 0 1 EHAF CCOC(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587865744 HLEWDOBLFCPOBQ-UHFFFAOYSA-N 328.290 3.972 0 1 EHAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(F)(F)F)c2c1 587648828 BIFGKNXZWDHKQJ-UHFFFAOYSA-N 331.237 3.609 0 1 EHAF O=C(C(F)F)[C@H]1CCC[C@@]12NCCc1c(Cl)cc(Cl)cc12 963124494 QOMCDYTWLUMDLI-MEBBXXQBSA-N 334.193 3.969 0 1 EHAF CC(C)c1nn(C)c2c1[C@@](COCc1ccccc1)(C(C)C)NCC2 962913264 BZQNCIYLNVEPKP-OAQYLSRUSA-N 341.499 3.757 0 1 EHAF CCCn1cnc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962695811 FPFCOPYSPDWARB-AUUYWEPGSA-N 345.487 3.885 0 1 EHAF C[C@]12CC[C@H]3c4ccc(OCC(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O 13099025 XSDCLHQDGODZPZ-CLWJZODNSA-N 328.408 3.575 0 1 EHAF CN1CC[C@@H](C(=O)c2cncc(-c3ccc4ccccc4c3)c2)C1=O 205754181 AIBQHSMFBZHRQJ-IBGZPJMESA-N 330.387 3.563 0 1 EHAF Oc1ccc(CN2CCC(COCc3ccc(F)cc3)CC2)cc1 14961 OMXNVQLATBAEOI-UHFFFAOYSA-N 329.415 3.960 0 1 EHAF CCc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)NC2CCCCC2)cc1 218822 JAQRIXKSFUVHQD-NRFANRHFSA-N 342.483 3.579 0 1 EHAF COC(=O)c1cc(C)ccc1C[C@@H](Cc1ccc(C)cc1)C(=O)OC 1646086 QVAOJWNFWVPXOP-GOSISDBHSA-N 340.419 3.664 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(Cl)cc1 2356381091 ACROTYZPFLXEFQ-DVOMOZLQSA-N 337.920 3.747 0 1 EHAF O=C(c1ccccc1)c1cc(Br)ccc1Cn1ccnc1 28709497 NYMBGOIIYJYZCF-UHFFFAOYSA-N 341.208 3.925 0 1 EHAF c1cc(-c2nc3c[nH]n(Cc4cccs4)c-3n2)cc(-n2cccn2)c1 103594597 NGAQFISXGWGZNT-UHFFFAOYSA-N 346.419 3.674 0 1 EHAF Cc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C)c2n1 2356784360 OGTIAUUKWWUSMT-UHFFFAOYSA-N 343.434 3.916 0 1 EHAF COc1cc(C(=O)c2cc(-c3ccccc3)on2)cc(OC)c1OC 72117127 FHAYTMOYZAXSDQ-UHFFFAOYSA-N 339.347 3.598 0 1 EHAF CCC(CC)NC(=O)c1cccnc1N1CCC[C@@H]1c1ccccn1 39229584 QBOWISKBDAQHNT-GOSISDBHSA-N 338.455 3.737 0 1 EHAF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@H]1[C@@H](O)C2=O 14410754 DLFBGJCOHIZRGA-NSHGMRRFSA-N 332.440 3.862 0 1 EHAF biogenic N[C@@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1ccccc1 73409969 UMULGPSQNQMYNC-ROUKRRSUSA-N 331.419 3.596 0 1 EHAF O=C(COc1ccc2ccc(=O)[nH]c2c1)Nc1ccc2ccccc2c1 95595847 PCHLJXKZECACSS-UHFFFAOYSA-N 344.370 3.699 0 1 EHAF O=[S@@](c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 143517579 QVAJKLQSNTZUMP-JOCHJYFZSA-N 331.824 3.899 0 1 EHAF CCCN(CC)C(=O)c1cn(C)nc1OCc1ccc(SC)cc1 98084553 BYNNWMWCNADMMQ-UHFFFAOYSA-N 347.484 3.593 0 1 EHAF COC(=O)C1=CN(Cc2ccccc2OC)C=C[C@@H]1c1ccccc1 95584114 KBDXCEPLUKJGSU-GOSISDBHSA-N 335.403 3.865 0 1 EHAF CNCc1cc(-c2ccccc2)c(S(=O)(=O)c2ccc(C)cc2)o1 299859911 GDKWHNJASYTARZ-UHFFFAOYSA-N 341.432 3.807 0 1 EHAF Cc1nc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 587774115 LMFWWILZOMYAAE-VXJOIVPMSA-N 339.208 3.682 0 1 EHAF N=c1ncc(-c2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)c[nH]1 587254592 OQIOLTKSTNEJKM-UHFFFAOYSA-N 341.296 3.517 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C(=O)O)cc1 587871105 ABROCGYVKQFJQK-UHFFFAOYSA-N 326.327 3.775 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(C)cc1)CC2=O 587478688 BJROSTIPMRYAKU-HXUWFJFHSA-N 340.375 3.598 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1ccccc1 587602975 LXLAENWIIPMAEJ-RBUKOAKNSA-N 332.355 3.965 0 1 EHAF Oc1nc2cc3nc(Cc4ccccc4C(F)(F)F)[nH]c3cc2[nH]1 587108723 UHQPREHMFHRXIP-UHFFFAOYSA-N 332.285 3.754 0 1 EHAF COc1ccc([C@H](O)[C@H](C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 587938714 ZDQXJNALIJITMF-ZUZCIYMTSA-N 331.803 3.765 0 1 EHAF CCCCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963613564 UYEKGHMTPZHDAV-XOBRGWDASA-N 349.471 3.577 0 1 EHAF Cc1[nH]c([C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)c(C)c1C(=O)O 963113581 UTCAYCZXTUSYRF-VBKZILBWSA-N 342.414 3.753 0 1 EHAF O=C1/C(=C/c2ccc(Cl)cc2)N=C2C=CC(Br)=CN12 1772575241 NUXZWORJTHNEJI-GHXNOFRVSA-N 335.588 3.728 0 1 EHAF CCN1CCN(c2nc3ccccc3c3c2COc2ccccc2-3)CC1 13742139 IYTZBBHXVFCSPQ-UHFFFAOYSA-N 345.446 3.936 0 1 EHAF CN1CCN(C2=Nc3ccccc3N(C)c3c2csc3Cl)CC1 169325777 UTCSCKDGHCEPAM-UHFFFAOYSA-N 346.887 3.809 0 1 EHAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(C)c(Cl)c1 169359949 AVKXQSPVMFIMNB-PDGJQINXSA-N 331.843 3.688 0 1 EHAF O=NCC1=NCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 169726211 NYSUZQKDSLWJIC-UHFFFAOYSA-N 339.239 3.705 0 1 EHAF CNC(=O)c1ccc(NCc2cc3cc(Cl)ccc3nc2O)cc1 1857568131 ASUSIIKTTAIBGT-UHFFFAOYSA-N 341.798 3.566 0 1 EHAF O=[S@@](Cc1ccccn1)c1nc2ccccc2nc1-c1ccccc1 5593691 GZHHJTLCHPDKSZ-RUZDIDTESA-N 345.427 4.000 0 1 EHAF O=C(O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H]1C[C@H]1c1ccccc1 5999511 LBCNHUJFDVBZDB-STQMWFEESA-N 338.338 3.747 0 1 EHAF CCOC(=O)COc1cc(-c2ccccc2)nc2cc(F)ccc12 13215650 PSWRUZTZJHWESA-UHFFFAOYSA-N 325.339 3.983 0 1 EHAF CS(=O)(=O)Nc1ccncc1Oc1cc(Cl)cc(Cl)c1 13586676 VRIWDPTYEUKRHY-UHFFFAOYSA-N 333.196 3.552 0 1 EHAF Cc1cc(Cl)cc(Cl)c1OCCCCCN1CCNCC1 22577140 UEYHUODIJFQLJY-UHFFFAOYSA-N 331.287 3.756 0 1 EHAF CC(C)N(CC[C@@](CC(C)(C)C)(C(N)=O)c1ccccn1)C(C)C 27521077 JPMOKTZWWUXLNH-FQEVSTJZSA-N 333.520 3.750 0 1 EHAF COc1ccc(OCc2ccc(C(=O)Nc3nc(C)cs3)o2)cc1 28576166 PGEISGQCCMENBS-UHFFFAOYSA-N 344.392 3.884 0 1 EHAF Cc1cc(F)c(NC(=O)[C@H]2CCCC[C@H]2C)cc1CN1CCOCC1 45289792 SKKAXSRZRMJLJV-PBHICJAKSA-N 348.462 3.731 0 1 EHAF Cc1ccc2[nH]cc3c(=O)n(-c4nc5ccccc5s4)nc-3c2c1 102828888 MOBMNYYUJNITPV-UHFFFAOYSA-N 332.388 3.737 0 1 EHAF O=C(O)c1csc(-n2nc(-c3ccccc3)c3cc(F)ccc32)n1 103254785 TUEMTQXNGVSWLL-UHFFFAOYSA-N 339.351 3.986 0 1 EHAF Cc1ccc2c(c1)N(CCCN(C)C)C(=O)/C(=C/c1ccccc1)O2 169321615 WFRXDOWHZQZZKZ-HKWRFOASSA-N 336.435 3.713 0 1 EHAF O=N[C@@H]1CCc2cc(-c3cn(CCCO)nc3-c3ccncc3)ccc21 169686112 KGRIQNZEDBESQH-LJQANCHMSA-N 348.406 3.748 0 1 EHAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2[C@@H](O)CC[C@H](C)[C@@]12C 238753968 FEVYLFPXBKQRPU-GLWSKMHLSA-N 346.423 3.748 0 1 EHAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)O2 587173727 IBGDWZDFBROZNO-KRWDZBQOSA-N 338.317 3.703 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nccn1Cc1ccccc1)O2 587391271 RAUGHTDDSZLHFF-SFHVURJKSA-N 333.391 3.529 0 1 EHAF CCCC[C@H](O)[C@@]1(CCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452468 VAEPNQHRTLXRBF-SYNHAJSKSA-N 332.440 3.923 0 1 EHAF Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2cccc(F)c12 587635996 WJHPCUMTXCSRMZ-UHFFFAOYSA-N 326.371 3.749 0 1 EHAF O=C(c1ccc(-n2cccc2)cc1)n1ncc2ccc(Cl)cc2c1=O 587653221 SFASRMSQIBKZHR-UHFFFAOYSA-N 349.777 3.529 0 1 EHAF COc1ccccc1CC(=O)c1nc2c(F)c(F)c(Cl)cc2[nH]1 587929879 NJLZXUVPNLNPAW-UHFFFAOYSA-N 336.725 3.929 0 1 EHAF O=C(O)C1CCN(c2ccnc3cc(Cl)cc(Cl)c23)CC1 957595116 ASYXYMMHYVTXAM-UHFFFAOYSA-N 325.195 3.843 0 1 EHAF COc1cc(OC)cc(-c2cnc3cnc(-c4cccc(N)c4)cn23)c1 1857607044 BMPKDPQGEXIFBJ-UHFFFAOYSA-N 346.390 3.663 0 1 EHAF COc1cc2cc(c1OC)Oc1ccc(cc1)CCC(=O)OCCC2 1857611366 SJWJSHRDLDLUEB-UHFFFAOYSA-N 342.391 3.918 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCC1=CCOC1=O)[C@]32C 2356529134 VAGWFVOITDPYDG-JJOBAADDSA-N 330.424 3.564 0 1 EHAF CC1=C[C@H]2C[C@@H]3[C@@]1(CC[C@H](C)[C@]31C[C@@H](c3ccoc3)OC1=O)C(=O)O2 2356677454 DBKVXSDHPBHJOE-WFJTXCSTSA-N 342.391 3.562 0 1 EHAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)cc1 234410 WNXOTSCXVRFWCT-AZUAARDMSA-N 336.435 3.990 0 1 EHAF COc1ccc2nc3sc(C(=O)NCc4cccnc4)cc3cc2c1 428367 NPGHJVCSAHTOKX-UHFFFAOYSA-N 349.415 3.783 0 1 EHAF CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 769066 NVDZDOGGAQQFMS-WBVHZDCISA-N 328.799 3.520 0 1 EHAF C=Cc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=C(C)/C1=C(\O)OC 100025616 JLSXYRJHVWQOPU-KCGBVJQISA-N 327.380 3.751 0 1 EHAF COc1c(C(C)(C)C)cc(Cc2cnc(N)nc2N)cc1C(C)(C)C 28265747 PWXGOQREGLRIRB-UHFFFAOYSA-N 342.487 3.835 0 1 EHAF CCc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1 28877817 LPIIUYILVKOZEX-UHFFFAOYSA-N 334.379 3.706 0 1 EHAF CC(=O)N1N=C(c2cc(C)nc3ccccc23)O[C@H]1c1cccs1 21941149 JDCYWPDCWIIEGQ-SFHVURJKSA-N 337.404 3.844 0 1 EHAF C[C@@H](C(=O)O)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1CNC2=O 2356792573 JWDJVNHLOBMBGX-ODXCJYRJSA-N 329.440 3.976 0 1 EHAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5[nH]nc(O)c5C[C@]43C)[C@@H]1CCC2=O 504659325 IBVOKGNUOPSVJY-NIDNKTOYSA-N 328.456 3.642 0 1 EHAF biogenic CN1CCCC[C@@]12Cc1ccccc1CN(C(=O)C1CCCC1)C2 71988533 NDEHURXEHOBFJW-NRFANRHFSA-N 326.484 3.616 0 1 EHAF C=CCc1ccc(O[C@]23C[C@H](CC=C)C(=O)C=C2OCO3)c(OC)c1 13453950 OVKOILXZORKADM-MGPUTAFESA-N 342.391 3.552 0 1 EHAF biogenic CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C=O)c3CC[C@@H]21 45392621 DCYQDLXNSVPRHU-AZUAARDMSA-N 341.838 3.793 0 1 EHAF CN(C)C12CC(=O)NC([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 40577046 VBLXFIUIBZBCFM-IVCWUUCSSA-N 334.463 3.537 0 1 EHAF CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(N)cc3CC[C@@H]21 45358668 WUHZOOKLPVGRAI-PKOBYXMFSA-N 328.843 3.562 0 1 EHAF CCCC[C@H](CC(=O)O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 40829392 YZNULDWRNNKMJD-CJNGLKHVSA-N 343.427 3.508 0 1 EHAF COc1cc(Cc2cncc3cc(OC)c(OC)cc23)ccc1O 196734195 XIQRNTUXDAFHAN-UHFFFAOYSA-N 325.364 3.557 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@]12CC[C@]1(C=COC1)O2 257505564 OQLCWZJEAYGVQE-HSZRPRSMSA-N 332.440 3.596 0 1 EHAF O=C(Nc1cc(Nc2c(Cl)ccc3c2OCO3)ccn1)C1CCC1 653889539 JWRGOSAZFXTJLY-UHFFFAOYSA-N 345.786 3.946 0 1 EHAF Cc1c(Br)ccc2nc(-c3cnc([C@H](C)O)s3)[nH]c12 587021554 IVKBDZNFHXRYFZ-ZETCQYMHSA-N 338.230 3.811 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)Oc3ccc(F)cc31)O2 587383752 FXFKOPPFSBIQSW-WYRIXSBYSA-N 327.355 3.748 0 1 EHAF Cc1ccc2c(ccc3nc(-c4cccc(NC(N)=O)c4C)[nH]c32)n1 587239248 OAMOULDUBPKKOZ-UHFFFAOYSA-N 331.379 3.886 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c[nH]cc32)N1 587794087 SUGMTWLBHJZUKX-ABKXIKBNSA-N 335.220 3.640 0 1 EHAF CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 587791719 GDGPZXRLOOPPGE-AYVTZFPOSA-N 339.208 3.762 0 1 EHAF Cc1nn(C)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987741 RTDSWHWCJADERL-UHFFFAOYSA-N 341.370 3.861 0 1 EHAF Cc1cnc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587379116 ZSBFYPDDKXAVEQ-AWEZNQCLSA-N 347.212 3.750 0 1 EHAF COC(=O)C[C@@]1(C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587527604 XYRQEYDYOYQQPR-HXUWFJFHSA-N 328.408 3.633 0 1 EHAF Cc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587856725 XOWNGUOCYSDMPZ-JKYUHCHBSA-N 341.249 3.977 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2c1 586888145 WOGQTAUPRODUQS-OUAUKWLOSA-N 344.798 3.642 0 1 EHAF Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587589004 STWDKDVBWMALOA-XLIONFOSSA-N 333.343 3.799 0 1 EHAF COc1ccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1OC 587926513 HWVCNZJJYXJMLH-UHFFFAOYSA-N 338.194 3.873 0 1 EHAF Cc1n[nH]c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587808353 YVJGQTVOCDWSIC-MLXNANBUSA-N 338.224 3.552 0 1 EHAF CCOc1ccccc1OCc1nc2cc(Br)ncc2[nH]1 587780189 NDGCNJZAYULXMC-UHFFFAOYSA-N 348.200 3.698 0 1 EHAF CCCC[C@]1(C)NCC2(CCOCC2)c2cc(OC)c(OC)cc21 963191481 OVDMGXNUGJMCDH-IBGZPJMESA-N 333.472 3.761 0 1 EHAF Cn1nc2c([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)cccc2c1C=O 963113030 YQCNTNZRIWRRKT-QVKFZJNVSA-N 349.409 3.635 0 1 EHAF COC(=O)c1c(C)cccc1[C@H]1CN=N[C@@]12Cc1c(C)cccc1C2=O 5537997 DASKQNHFZMISBD-UTKZUKDTSA-N 348.402 3.817 0 1 EHAF O=C(NCCc1ccccn1)c1ccc2c(c1)ncn2C1CCCCC1 201490052 AFYARACDDDHSCN-UHFFFAOYSA-N 348.450 3.909 0 3 EHAF O=C(Nc1cccc(NC(=O)c2ccccn2)c1)NC1CCCCC1 1857539434 KOFUQOSYLNBEDS-UHFFFAOYSA-N 338.411 3.788 0 1 EHAF CCOC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2CCO 103226347 QKFDTAGQRRRQMX-UHFFFAOYSA-N 344.798 3.526 0 1 EHAF C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1cccc(N)c1)N1CCN(c2ccccc2)CC1 101511249 DQUHVPKZBIBNCW-WKJJFCIUSA-N 347.506 3.962 0 1 EHAF O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1)c1cccc(F)c1 102006797 PKYQDHABCZQNOI-WOJBJXKFSA-N 338.426 3.751 0 1 EHAF CCCC[C@@H](C(=O)C(=O)NC1C2CC3CC(C2)CC1C3)C(=O)C(C)C 102977865 XPCHNDLQEKKZFY-SVXFNXITSA-N 347.499 3.528 0 1 EHAF COc1ccccc1-c1ncn2c1c(=O)n(C(C)C)c1ccccc12 27303892 GJWURWCTYYAHEK-UHFFFAOYSA-N 333.391 3.906 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ncccc2C)/C1=C(/O)OC(C)C 29488731 MEFPNBADIPEBBC-CPZHOGDASA-N 331.372 3.651 0 1 EHAF COc1ccc(C(=O)c2nc(C(=O)O)cc3c2[nH]c2ccccc23)cc1 66098617 LQTUFQHDJGTMDW-UHFFFAOYSA-N 346.342 3.654 0 1 EHAF COc1ccc(C2=CCc3ccccc3N=C2N2CCN(C)CC2)cc1 100764931 XFNZUYOVTDDHPP-UHFFFAOYSA-N 347.462 3.612 0 1 EHAF Nc1cccc(Nc2ncnc3c2ncn3CCc2cccc(F)c2)c1 40410611 IYYKARCXHKEOSX-UHFFFAOYSA-N 348.385 3.534 0 1 EHAF Cc1cc(COc2cc(F)c(F)cc2F)nc(-c2ccccn2)n1 653808118 ODZIIBJIDDNRRG-UHFFFAOYSA-N 331.297 3.843 0 1 EHAF O=C1CC2(CCC(n3cnnc3)CC2)Oc2c1ccc1c2CCCC1 587516483 UHBVPUMBELRZHT-UHFFFAOYSA-N 337.423 3.676 0 1 EHAF Cc1scnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587851882 DAPGGZQOJDUONP-NXSYQRQQSA-N 341.249 3.977 0 1 EHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(C(C)=O)ccc3[nH]2)cc1 587785867 PFQYYKATWOMYMF-HOTGVXAUSA-N 334.375 3.709 0 1 EHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1O 587377333 WITBTVJLBRPDHF-OAHLLOKOSA-N 333.771 3.651 0 1 EHAF Clc1ccc(-n2cc(-c3nc4ccnc(Cl)c4[nH]3)nn2)cc1 587076348 QMCPXBXKCJSTCO-UHFFFAOYSA-N 331.166 3.512 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C2CC2)N1 587814089 FVUNHJSNMBNGEK-ABKXIKBNSA-N 340.236 3.707 0 1 EHAF Cc1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1 587041302 YFHATAYUXSZTMW-UHFFFAOYSA-N 347.241 3.934 0 1 EHAF CCn1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C(F)(F)F 587384170 YFHPUGZPKCOQHI-ZDUSSCGKSA-N 339.317 3.519 0 1 EHAF Cc1cnc(Cl)c2[nH]c(Cc3cc(F)cc4c3OCOC4)nc12 587172136 WRHIMUMQOFZGMK-UHFFFAOYSA-N 333.750 3.516 0 1 EHAF O=[S@@](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)CC1CC1 586958909 KBFBPPNRVBGFRA-XMMPIXPASA-N 340.448 3.801 0 1 EHAF N=c1[nH]c(-c2cccc(-c3nc4ccnc(Cl)c4[nH]3)c2)cs1 587020865 FYDGYYLZAQWYOX-UHFFFAOYSA-N 327.800 3.814 0 1 EHAF C[C@@]1(c2cccnc2N)c2ccsc2CCN1Cc1ccco1 962713217 UQUGBQSIOBZFDL-SFHVURJKSA-N 325.437 3.640 0 1 EHAF COc1cc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)ccc1Cl 225942049 WDNVDHFDAHTYMI-UHFFFAOYSA-N 343.770 3.509 0 1 EHAF COc1cc(NC(=S)N2c3ccccc3C[C@@H]2C)cc(OC)c1 13839109 SDMKNIWYWRGHEQ-LBPRGKRZSA-N 328.437 3.852 0 3 EHAF Cc1ccc(/C=C2\CNC[C@@H]3C2=NC(=O)N[C@@H]3c2ccc(C)cc2)cc1 169729999 LMFKZPIECIZZIM-FPZBBQJASA-N 345.446 3.812 0 1 EHAF COc1ccc(C[C@]2(O)CCC[C@H]3C(C)(C)[C@@H](O)CC[C@@]32C)cc1 1857604306 HGPMJIYXGCNCCX-JYAXBFRTSA-N 332.484 3.956 0 1 EHAF COc1ccc([C@H]2C(=O)c3cccn3-c3ccccc3[S@@]2=O)cc1 13739849 WQMAAXKMWKSSCM-YADARESESA-N 337.400 3.531 0 1 EHAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occc13)C=C[C@H](O)[C@H]2C 2356453365 VTTQQQRAJGAPLK-WBMJQRKESA-N 342.391 3.942 0 1 EHAF COc1ccc2c(c1)nc1n2[C@H](CN(C2CCC2)C2CCC2)COC1 2356302865 HFUKEPXJKRXVCG-MRXNPFEDSA-N 341.455 3.523 0 1 EHAF O=C1c2ccc(-c3ccccc3F)cc2CCN1CCN1CCCC1 59113340 LOXZVEKDMPWGAL-UHFFFAOYSA-N 338.426 3.587 0 1 EHAF COc1cc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc(OC)c1OC 29230104 UUSGIZZJRRKUKZ-ROUUACIJSA-N 339.435 3.995 0 1 EHAF Clc1ccc(CN2CC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 28642187 VYZJFSWYQODVMI-QGZVFWFLSA-N 326.831 3.903 0 1 EHAF COc1ccc2nc(C(=O)Nc3ccc([C@@H]4CCNC4)cc3)ccc2c1 117726097 HCCQLOQQCSGPSC-MRXNPFEDSA-N 347.418 3.573 0 1 EHAF C[C@]12CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@@H]1CC[C@](C)(C(=O)O)O2 2356562690 AFCHCPCDNUGZTB-IPWHYPCCSA-N 338.444 3.706 0 1 EHAF COc1cc2c(cc1O)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 2356670812 CXZSMUPWCVAGRO-MLCYQJTMSA-N 346.379 3.664 0 1 EHAF COc1cccc(OC)c1CNCc1coc(-c2cccc(F)c2)n1 72183088 BRPIWZOVICQKCJ-UHFFFAOYSA-N 342.370 3.788 0 1 EHAF CNC(=O)c1ccc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c(OC)c1 222342540 BHMRWHRWBMLFNH-UHFFFAOYSA-N 349.312 3.617 0 1 EHAF N#Cc1ccc(C(=O)c2c(Cl)ccc([C@H](N)C3CC3)c2F)cc1 220746627 FGLZSTIHAOEZCA-QGZVFWFLSA-N 328.774 3.992 0 1 EHAF O=C(O)c1cc(-c2ccccc2)cc2c1cnn2Cc1ccncc1 95583989 MSQCCVFBAIIPFQ-UHFFFAOYSA-N 329.359 3.845 0 1 EHAF Cc1cnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 95565353 SZOHXTBKPCUEJP-UHFFFAOYSA-N 343.736 3.520 0 1 EHAF CC(C)[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(Cl)cc2)O1 95569217 AWGCJEWWXJXBLJ-GXTWGEPZSA-N 336.844 3.773 0 3 EHAF O=C1Cc2c(cccc2-c2ccc3cc(NC(=O)C4CC4)ncc3c2)N1 144257820 XBXYJNVDIOQSHF-UHFFFAOYSA-N 343.386 3.745 0 1 EHAF Cc1ccc2ncnc(N3CCC(Oc4ccc(C)nc4)CC3)c2c1 653831296 GAMKZRJKLNGZSK-UHFFFAOYSA-N 334.423 3.689 0 1 EHAF CCO/C=C(\C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598720 UUDCJQJGBLBYQV-RCDKPBPISA-N 326.348 3.663 0 1 EHAF C[C@@]1(c2ccc3oc(=N)[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508955 HJJUCBVZSZHUNN-NRFANRHFSA-N 348.402 4.000 0 1 EHAF COc1cc(F)ccc1-c1cccc(Cc2nc3c(N)ccnc3[nH]2)c1 587159577 SKSOYQLOKFLFCR-UHFFFAOYSA-N 348.381 3.946 0 1 EHAF COc1cc2c3c(c1)O[C@H](C(C)(C)CN1CCC(C)CC1)[C@@H](C2)C3=O 587438645 QKYWWNSUWZHJAW-JXFKEZNVSA-N 343.467 3.569 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccccc1)[C@@H](C2)C3=O 587441904 UWMQHIBUEXMZLK-XOBRGWDASA-N 332.359 3.574 0 1 EHAF CCOc1ccc(F)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427082 GRZMUPKDKJLCCU-KUHUBIRLSA-N 328.339 3.722 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Cl)ncc2[nH]1 586917277 RXQAUBMWHAIJON-KPZWWZAWSA-N 341.798 3.828 0 1 EHAF COC(=O)c1[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587526211 ORVISWOVNZGCNF-QGZVFWFLSA-N 339.391 3.695 0 1 EHAF Cc1cnc(Cl)c2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc12 587165506 XUTGDWIROPYCLM-UHFFFAOYSA-N 341.777 3.971 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ncnc(Cl)c3s1)O2 587413335 GXNLLELVSZTIBN-LBPRGKRZSA-N 345.811 3.942 0 1 EHAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587196752 YMOSZUNJFKLHEV-VIFPVBQESA-N 335.333 3.541 0 1 EHAF Oc1ccc(C2(c3nc4cncc(Br)c4[nH]3)CC2)cc1 586896605 VDZBIJXKZJKRKQ-UHFFFAOYSA-N 330.185 3.506 0 1 EHAF Cc1ccnc2c1CCN[C@@]2(c1ccccn1)c1cc2ccccc2o1 963071417 RSTIJHCPGPNBOE-QFIPXVFZSA-N 341.414 3.969 0 1 EHAF C[C@H](CO)c1c(O)ccc2c1CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 15117823 LJYJNFNZISKIBV-HSTAFOSESA-N 332.440 3.583 0 1 EHAF biogenic O=C(OCc1ccc(COC(=O)c2ccccc2)o1)c1ccccc1 15219962 ZJXNMOONTZSEFF-UHFFFAOYSA-N 336.343 3.994 0 1 EHAF biogenic CN(C)c1ccccc1-c1cn2c(-c3ccc(CO)cc3)cnc2cn1 1857579126 CKIKGTGCNMRTSG-UHFFFAOYSA-N 344.418 3.622 0 1 EHAF Oc1ccccc1C1=N[C@@H](Cc2cnc[nH]2)[C@H](c2ccccc2)S1 1857638929 BDLSNMGOWYNTSL-WMZOPIPTSA-N 335.432 3.961 0 1 EHAF COC(=O)[C@@]12CCC[C@]3(C=NC1)[C@@H]2CC[C@@H]1[C@@H](C)c2ccoc2C[C@H]13 2356424143 PEBWOTHMOKLLMG-KEGKJOPBSA-N 341.451 3.996 0 1 EHAF Cc1cnc(CNc2cc(-c3ccccc3C(F)(F)F)ncn2)cn1 4265097 CFXCNRRSZHHKDK-UHFFFAOYSA-N 345.328 3.873 0 1 EHAF Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NC[C@@H]1CCCCN21 28097184 FGRRLJHQOHDCFS-HNNXBMFYSA-N 328.847 3.592 0 1 EHAF CCCCOC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 26832638 UITXTNXEIFGSBI-YSVLISHTSA-N 330.428 3.954 0 1 EHAF O=C1NC(=O)/C(=C/c2cccc(-c3cc(=O)c4ccccc4o3)c2)S1 34190024 JWZOTSXNISXUQW-MFOYZWKCSA-N 349.367 3.784 0 1 EHAF Cc1cc2c(s1)c1cnn(Cc3c(F)cccc3F)c(=O)c1n2C 36380280 ZBXCVGUUAANFDY-UHFFFAOYSA-N 345.374 3.585 0 1 EHAF COC(=O)CCCCC(=O)N(C)c1nc(-c2ccccc2)cs1 96930069 CIOXSYMZZVLBBG-UHFFFAOYSA-N 332.425 3.506 0 1 EHAF Fc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1 95604156 YATJCPHZSDATHI-UHFFFAOYSA-N 329.385 3.538 0 1 EHAF CC(C)=CC[C@@]12CCN(C)[C@@H]1Nc1c(Br)ccc(O)c12 49000266 WRWGGTSCHPLAPY-HOTGVXAUSA-N 337.261 3.836 0 1 EHAF biogenic CC[C@@H](C)NC(=O)NC(=O)c1ccccc1OCc1ccccc1 299854598 ACSCQXRMIGPQLU-CQSZACIVSA-N 326.396 3.504 0 1 EHAF CCOC(=O)[C@H](C1CCCC1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401765 YCCBJWCDDXMLSP-PXNSSMCTSA-N 345.439 3.671 0 1 EHAF CC(C)COc1cc2nc([C@H]3CC[C@@H]3N)[nH]c2cc1Br 587246111 CRBCXLBJLCDQDQ-ONGXEEELSA-N 338.249 3.565 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC[C@@H]2CCOC2)N1 587834640 LVIAXLUFFRTXFH-JTNHKYCSSA-N 342.252 3.980 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)nc1C)[C@@H](C2)C3=O 587421780 MZNIMZJJBIOAKV-UGSOOPFHSA-N 329.783 3.715 0 1 EHAF [O-][n+]1ccccc1SCc1nc2ccc(C(F)(F)F)cc2[nH]1 586969894 PUBZDMVDPNSFJC-UHFFFAOYSA-N 325.315 3.507 0 1 EHAF Cc1nccc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 587121185 WPTYFRZFXQNXKV-UHFFFAOYSA-N 335.211 3.694 0 1 EHAF CCOC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587523278 HGBCNJMCVIXBQT-SFHVURJKSA-N 339.391 3.777 0 1 EHAF O=C(c1nc2ncnc(Cl)c2[nH]1)c1c(Cl)ccc(F)c1Cl 587133464 QFPDTCAPWVTOOH-UHFFFAOYSA-N 345.548 3.683 0 1 EHAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)n1 587080549 QICCIIGENJNZSU-ZETCQYMHSA-N 336.754 3.888 0 1 EHAF FC(F)(F)c1cncc(-c2nc3ccc(Br)nc3[nH]2)c1 587115404 NCYRXFBXVCAUGC-UHFFFAOYSA-N 343.106 3.801 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCc4cccc(Cl)c41)[C@@H](C2)C3=O 587421753 MWUOVKLPCVSHIH-ORAYPTAESA-N 326.779 3.938 0 1 EHAF COc1cc(F)c2nnc3c(c(-c4ccccc4Cl)nn3C)c2c1 146603745 GGJRGPLWGXGDJD-UHFFFAOYSA-N 342.761 3.985 0 1 EHAF COc1cccc2cc3c(nc12)[C@H](c1ccnc(C(F)F)c1)NCC3 963048126 RZXXLHFKACLWHD-KRWDZBQOSA-N 341.361 3.811 0 1 EHAF O=C(O)[C@H]1C[C@H]2C[C@H]1[C@]1(C2)c2ccsc2CCN1Cc1ccco1 962704206 JJFUMJFKNLQVNN-SJMGXHDFSA-N 343.448 3.725 0 1 EHAF COC(=O)CCCCN[C@@]1(c2ccccc2Cl)CCCCC1=O 205381047 QFFBIIVCZDWTKZ-GOSISDBHSA-N 337.847 3.611 0 1 EHAF C[C@H](Cn1sc2ccccc2c1=O)n1sc2ccccc2c1=O 1772617175 YRNQFVHMJLDVJI-LLVKDONJSA-N 342.445 3.701 0 1 EHAF C=C1OC(=O)C=C1Cc1ccc(NC(=O)Cc2ccccc2F)cc1 1772640514 GBOCRHIPUNSELM-UHFFFAOYSA-N 337.350 3.546 0 1 EHAF O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H]1COc2ncccc21 205620507 ZWWSHVDBQKBJJT-IBGZPJMESA-N 346.386 3.666 0 1 EHAF COc1ccccc1CNc1ncncc1-c1ccc(N(C)C)cc1 4258600 ZQMPNVTWOMDQPE-UHFFFAOYSA-N 334.423 3.830 0 1 EHAF COc1ccc2c(c1)c(OC(C)C)c(-c1nnn[nH]1)n2-c1ccccc1 28769484 RLCWLYLFLBWWBV-UHFFFAOYSA-N 349.394 3.606 0 1 EHAF Cc1cccc(NC(=O)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccco2)c1 101857587 DTFOSUNUSLBGHY-ROUUACIJSA-N 339.439 3.905 0 1 EHAF C[C@H]1c2cccc3c2N(CC3)c2ccccc2N1C(=O)CCN(C)C 28770381 MPXURRMUXYOHGS-HNNXBMFYSA-N 335.451 3.740 0 1 EHAF CC1(C)[C@H](C(=O)NCCc2csc(Cl)c2)C1(Cl)Cl 103272406 SKCBWGQAPLHFDO-VIFPVBQESA-N 326.676 3.890 0 1 EHAF Clc1ccccc1OC[C@H]1CCCN1c1ccnc2nsnc12 116065502 DFGSTBBUQSYXJQ-LLVKDONJSA-N 346.843 3.788 0 1 EHAF O=C(N1CCCc2ccccc21)N1[C@H]2CC[C@@H]1C[C@H](c1cc[nH]n1)C2 101407803 XBWSJCDFRIBITA-BJWYYQGGSA-N 336.439 3.693 0 1 EHAF CCC(=O)N1c2ccccc2[C@H]2CN(CCc3ccccc3)CC[C@@H]21 27878705 KIEDKQOTIJJPES-CTNGQTDRSA-N 334.463 3.844 0 1 EHAF CC(C)c1c(O)ccc2c1CC[C@@H]1[C@@](C)(C(=O)O)CC(=O)C[C@@]21C 2356565614 FIIHHPSSDWHEQS-VDGAXYAQSA-N 330.424 3.790 0 1 EHAF O=C(c1ccccc1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 40894833 FXQFRAJLWAPPQJ-INIZCTEOSA-N 349.261 3.998 0 1 EHAF N=c1oc2ccc(Br)cc2cc1C(=O)NC1CCCCC1 84671484 YTWOLYAFAHWBBS-UHFFFAOYSA-N 349.228 3.737 0 1 EHAF Cn1cc(-c2ccc(CN3C(=O)OCc4ccccc43)c(F)c2)cn1 95596970 NDAOHLXJFMJNMY-UHFFFAOYSA-N 337.354 3.883 0 1 EHAF CCC(=O)NC[C@@H]1CCc2c(OC)cccc2N1Cc1ccccc1 473115902 VLPGTHUDTCBGRU-KRWDZBQOSA-N 338.451 3.543 0 1 EHAF in-vitro COC(=O)Nc1ccc(-c2nc3ccc4nc(C)ccc4c3[nH]2)cn1 587244677 HWYIHVNOVLBIFK-UHFFFAOYSA-N 333.351 3.660 0 1 EHAF C[C@H]1C[C@H](C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587823098 OGDHUSKSVNPKBD-DGIRIXITSA-N 340.236 3.563 0 1 EHAF C=C(NC(C)=O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587202170 ATBPFSIXOQYGDQ-UHFFFAOYSA-N 337.223 3.707 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn3cc(Cl)ccc3n1)O2 587381434 IVJLYKNUXABYEO-HNNXBMFYSA-N 327.771 3.585 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cnccc12 587584456 AEJFIZYJDUCIEC-NQIIRXRSSA-N 345.354 3.591 0 1 EHAF N=c1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c[nH]1 587196387 RVKLTOMFIDSAQG-UHFFFAOYSA-N 329.407 3.577 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cn3c(F)cccc3n1)CC2=O 587470210 FIUQAVNYVVBIAQ-INIZCTEOSA-N 340.354 3.838 0 1 EHAF COc1ccc(C[C@H](C)c2nc3cc4cn[nH]c4cc3[nH]2)cc1OC 587925260 DHISGKFDRSBAQX-NSHDSACASA-N 336.395 3.803 0 1 EHAF O=C1C[C@]2(CCN[C@H]3CCCC[C@@H]32)Oc2c1ccc1c2CCCC1 587525188 SYUJFASZKLTSPF-WFXMLNOXSA-N 325.452 3.822 0 1 EHAF Nc1cccc(O)c1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587250471 PMVPJAWFQWAYQE-UHFFFAOYSA-N 340.127 3.558 0 1 EHAF C[C@@]1(c2ncc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348392 RMLPJAKRBDDSNT-QFBILLFUSA-N 338.338 3.529 0 1 EHAF CC(C)(CCc1ccncc1)[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962917566 HKOMQMARVBTLBZ-ZWKOTPCHSA-N 342.414 3.520 0 1 EHAF COc1ccc(-c2ccccc2[C@@H]2N[C@H](C(=O)O)CC[C@@H]2C)cc1 13782972 OUYDJLDGKVKXPM-FASAQXTFSA-N 325.408 3.876 0 1 EHAF CC(C)(C)OC(=O)Oc1ccc(Cn2ccnc2)c2cccnc12 1857616036 GBHRZQDNOKVUAU-UHFFFAOYSA-N 325.368 3.794 0 1 EHAF COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1CC(=O)O 1857650442 DZFXDVQWOXZOEB-UHFFFAOYSA-N 341.407 3.872 0 1 EHAF COc1ccc(NC(=O)c2ccsc2NC(=O)C(F)(F)F)cc1 103300928 VTJMCUHRTQUBMQ-UHFFFAOYSA-N 344.314 3.510 0 1 EHAF COc1cc(OC)c(OC)cc1/C=C/c1ccc(OC)c(OC)c1 103297539 JXLMETXAOBEHRY-SOFGYWHQSA-N 330.380 3.900 0 1 EHAF CCOc1ccc(-c2cc(NC[C@@H](O)c3ccccc3)ncn2)cc1 103261296 KIAHAWDPHGYPJL-LJQANCHMSA-N 335.407 3.688 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Br)cc1)S2 101103042 RARSABFRLWAEFW-CRWXNKLISA-N 341.270 3.990 0 1 EHAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN[C@H]1N2C 29547355 QJNHONPWJGXIOZ-ICSRJNTNSA-N 337.423 3.633 0 1 EHAF COc1cc(C(=O)Nc2ccc([C@@H]3CCNC3)cc2)nc2ccccc12 117718193 JAWUPFXIFCWYIM-OAHLLOKOSA-N 347.418 3.573 0 1 EHAF Nc1nc(Oc2cc(-c3cc4ccccc4s3)ncn2)ncc1F 49792620 DBAZFEKNAWXRSM-UHFFFAOYSA-N 339.355 3.662 0 1 EHAF CN1C[C@](O)(c2ccc(-c3cccs3)cc2)O[C@H]2CCCC[C@@H]21 40866616 MXIZKFJQVCWRGU-JENIJYKNSA-N 329.465 3.833 0 1 EHAF CC#CC(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1F 220896850 HBWIVNIJPLFQBT-UHFFFAOYSA-N 327.746 3.984 0 1 EHAF CCCCC[C@H]1/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 83329131 BJXHXZDHQUYRMA-ARSRFYASSA-N 334.456 3.731 0 1 EHAF COC(=O)C1=C(c2ccc(-c3nccs3)cc2)C[C@H]2CC[C@@H]1O2 84602058 OBDQYTHBVATJAH-HIFRSBDPSA-N 327.405 3.688 0 1 EHAF O=c1cc(-c2ccc(Cl)cc2)[nH]c2c(Cc3ccccc3)cnn12 653663533 NMUAMFFGGBBURL-UHFFFAOYSA-N 335.794 3.934 0 1 EHAF CCS(=O)(=O)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 587042033 RPEGCOINNJPERD-MRXNPFEDSA-N 344.461 3.746 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2F)N1 587725162 BQPNUYDAEUNEEK-XLKFXECMSA-N 339.183 3.746 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(Cl)ccnc2[nH]1 586917658 ULCQOAMJELWHKV-SGTLLEGYSA-N 341.798 3.828 0 1 EHAF COc1cc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2cc1Cl 587787256 SZVXWMFQPQBZLE-UHFFFAOYSA-N 346.770 3.722 0 1 EHAF C[C@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580159 QZJTZAGLKNGKDS-WIYYLYMNSA-N 347.370 3.851 0 1 EHAF O=C1c2ccccc2-c2cc([C@@]3(Cl)CCOC3=O)nc3cccc1c23 587104112 OAOMZZUSTAQYOL-FQEVSTJZSA-N 349.773 3.827 0 1 EHAF COc1ccc(Cn2nc3cc2Oc2ccc(F)cc2-3)cc1OC 587874665 HPHOLOXWQKJIPX-UHFFFAOYSA-N 326.327 3.860 0 1 EHAF CCOC(=O)CC[C@@]1(C(F)(F)F)NCCc2c1sc(C)c2C 963007837 IJGUZPRGHBSPGV-CQSZACIVSA-N 335.391 3.612 0 1 EHAF C[C@H]1CCC[C@H](NC(=O)CSc2ncnc3ccccc23)[C@@H]1C 5505311 HQZJLACXBCOYLB-GUTXKFCHSA-N 329.469 3.663 0 1 EHAF Fc1cc(/C=C/c2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 13560814 KJGHMCBOHXWQRX-XGACYXMMSA-N 333.794 3.570 0 1 EHAF c1ccc(CN[C@H](c2ccc[nH]2)c2nnc(-c3ccccc3)o2)cc1 169307874 SGIZAOVFJBYLBZ-GOSISDBHSA-N 330.391 3.944 0 1 EHAF COc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1OC 29306427 VYULJJQJMNQFPT-XLIONFOSSA-N 343.423 3.926 0 1 EHAF O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)-c1c(O)cccc1OC3 29043131 WNDZQGRJOXXLKI-UHFFFAOYSA-N 333.265 3.812 0 1 EHAF CC(C)C(=O)N(Cc1cc(Cl)cc(Cl)c1Cl)[C@H]1CCNC1 35950086 VGSCEHIVOAIVKK-LBPRGKRZSA-N 349.689 3.993 0 1 EHAF COc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CCC2)cc1 43064958 CZKJPEYBHWATBK-UHFFFAOYSA-N 343.448 3.563 0 1 EHAF COC(=O)CCSC/C=C(\C)CCn1cc(-c2ccccc2)nn1 84708422 DSVRJYKGIGJWNU-OQLLNIDSSA-N 345.468 3.578 0 1 EHAF CC(=O)[C@H]1CC[C@]2(O)[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 85615831 JTVJZIIJXYOXCP-QCPSMULASA-N 332.484 3.630 0 1 EHAF CC(C)Sc1nnc(COc2ccccc2)n1-c1cccnc1 95596761 NTVCFPSUWYORTO-UHFFFAOYSA-N 326.425 3.742 0 1 EHAF COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC(C)=O)cc1)CC2 238739486 PHOXHMRWOMKFHA-KRWDZBQOSA-N 328.364 3.695 0 1 EHAF CCOc1cc(/C=C/C(=O)O)ccc1OC(=O)CCc1ccccc1 299818847 AJOOYPYYZAPQCL-FMIVXFBMSA-N 340.375 3.721 0 1 EHAF CC(C)C(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810915 DRZNPSXAVHRBEY-MGPLVRAMSA-N 342.252 3.953 0 1 EHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(CCO)cc3[nH]2)c1 587242640 XWAZVINWAXPKGT-UHFFFAOYSA-N 337.423 3.749 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1nnc(-c2ccccc2)s1 587653746 JYGSAGXXAAUDDU-UHFFFAOYSA-N 340.795 3.558 0 1 EHAF COc1ccc(/C=C/Cc2nc3cc(OC)c(F)cc3[nH]2)c(OC)c1 587929657 OLUFOFRUWQLDJH-SNAWJCMRSA-N 342.370 3.984 0 1 EHAF N[C@@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1cccc2ccccc12 587259055 PQXBRLAQDXZCRH-INIZCTEOSA-N 349.365 3.796 0 1 EHAF C[C@H]1[C@H](C)CCC[C@H]1NC(=S)n1ncc2ccc(Cl)cc2c1=O 587653705 DZUJJXLDUCYXOU-JRPNMDOOSA-N 349.887 3.597 0 1 EHAF O=C(Nc1ccccc1)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 587243855 JPRQKCSKQBTQCH-UHFFFAOYSA-N 349.781 3.877 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@H](C)O)CC2=O 587493869 IGEWJTHFBITVCA-BBATYDOGSA-N 332.421 3.648 0 1 EHAF N[C@@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@H]1c1ccccc1F 587155251 IZRXHLBSCNYSBC-AYVTZFPOSA-N 337.185 3.745 0 1 EHAF COc1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1OC 587080773 POGYFLNCPJYWIK-MRXNPFEDSA-N 330.771 3.910 0 1 EHAF CC[C@@H]1C[C@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587832514 KMNHWVSDFDQRRD-SIVJFFJCSA-N 342.252 3.907 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCSc4c(F)cccc41)[C@@H](C2)C3=O 587429050 SPIWXWPPQADZJC-DJJJIMSYSA-N 342.391 3.973 0 1 EHAF COc1cc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2cn1 587066921 UMAQYXDZESVHRJ-UHFFFAOYSA-N 331.803 3.940 0 1 EHAF CN(Cc1cc(F)cc(F)c1F)C(=O)C1(C(F)(F)F)CCC1 1772628725 PSPFBXRXYPDHDJ-UHFFFAOYSA-N 325.252 3.795 0 1 EHAF NCc1c(-c2ccc(C(F)(F)F)cc2)c(C(=O)O)c2ccccn12 1772570702 CKEXLUQJXWXJOI-UHFFFAOYSA-N 334.297 3.782 0 1 EHAF O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC=C(Cl)C1=O 1772647571 UVQITJCRRCZHDS-VMPITWQZSA-N 329.705 3.600 0 1 EHAF O=C(O)Cc1ccc(CSc2nnc(-c3cccnc3)s2)cc1 13442464 DDKQEIHCGULREH-UHFFFAOYSA-N 343.433 3.520 0 1 EHAF COc1ccc(C(=O)N[C@H](CCN(C)C)c2ccc(Cl)cc2)cc1 13684630 OVAAWKPKVVAHKR-GOSISDBHSA-N 346.858 3.771 0 1 EHAF Cc1c2n(c3ccc(Oc4ccccc4)cc13)CC[C@@H]2N(O)C(N)=O 13760631 JEAYXPUXRGEAHW-KRWDZBQOSA-N 337.379 3.957 0 1 EHAF Cc1ccccc1/C=C1\CNC[C@@H]2C1=NC(=O)N[C@H]2c1ccccc1C 169730025 YKPZXTZEYIUSDB-ZARCXQAASA-N 345.446 3.812 0 1 EHAF COc1ccc2c3ccnc(C)c3n(CCCCCC(N)=O)c2c1 1857577794 KKYOYFUVFJOGLN-UHFFFAOYSA-N 325.412 3.552 0 1 EHAF COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(Cl)cc1)NC(=O)N2 1857639052 INEUTDAKFOBHIC-CQSZACIVSA-N 348.786 3.590 0 1 EHAF CCOC(=O)[C@@H]1C[C@H](c2c[nH]c3ccccc23)N(c2ccccc2)O1 1857765479 CRPHAPYWEGQJIX-MOPGFXCFSA-N 336.391 3.983 0 1 EHAF NS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)CCC2)cc1 3814652 PZDSRZQDLSVQIG-UHFFFAOYSA-N 335.375 3.707 0 1 EHAF O=C(COc1ccc(-n2ccnc2)cc1)Nc1cccc(Cl)c1 3422435 APPFQFOFMNCGGA-UHFFFAOYSA-N 327.771 3.543 0 3 EHAF C[C@H]1C[C@@H](C)CN(CCCn2cnc3c4ccccc4nc-3c2O)C1 103591777 KQGJPBKUKCWRFK-GASCZTMLSA-N 338.455 3.610 0 1 EHAF C[C@@H](NC(=O)c1ccc(C(=O)C(F)(F)F)s1)c1ccccc1 29069811 DPKHRWMGXRDLLO-SECBINFHSA-N 327.327 3.984 0 1 EHAF Cc1cnc2[nH]cc(Cc3cnc(NCc4cccc(C)n4)nc3)c2c1 117427758 QEZRYOVBHVLYKM-UHFFFAOYSA-N 344.422 3.568 0 1 EHAF CNc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F 71296974 NPAKRXKEFGFWCS-UHFFFAOYSA-N 328.372 3.694 0 1 EHAF O=C(O)c1ccc2nc(-c3ccc(Cl)cc3)c(O)c(C(=O)O)c2c1 35086957 ADDZENDNSBUVTE-UHFFFAOYSA-N 343.722 3.657 0 1 EHAF Cc1cc(N)nc(CCc2ccc(CCc3cc(C)nc(N)c3)cc2)c1 71316558 IKWCDRYKIHJFFS-UHFFFAOYSA-N 346.478 3.828 0 1 EHAF CC(C)(C)CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1 49033999 GSMFLJBANXQXTM-NSHDSACASA-N 329.271 3.844 0 1 EHAF Cc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(C)cc1O 143987030 OBCWOTVOBQQVEL-UHFFFAOYSA-N 340.427 3.796 0 1 EHAF O=S(=O)(c1ccc(Cl)cc1)c1ccc2oc3c(c2c1)CNCC3 143489911 PQPADYVAWXCNJP-UHFFFAOYSA-N 347.823 3.565 0 1 EHAF CCC(=O)OCCCN1CCC2(CCC(c3ccccc3)CC2)C1=O 96019341 NQRBIFHLYPDERM-UHFFFAOYSA-N 343.467 3.906 0 3 EHAF O=C(Nc1cccc(F)n1)Nc1cccc2c1[C@H]1CCCCN1C2=O 95578027 PRRNEKPNFWMEPT-CYBMUJFWSA-N 340.358 3.546 0 1 EHAF Cc1ccc(Oc2cncc(NC(=O)c3cccc(Cl)c3)n2)cn1 96175617 LSNZOABCOXDEPF-UHFFFAOYSA-N 340.770 3.878 0 1 EHAF Nc1nc(NCc2ccccc2)c(N=O)c(NCc2ccccc2)n1 95558335 JDQZNMDUHVXPLJ-UHFFFAOYSA-N 334.383 3.681 0 1 EHAF CS/C=C\COC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 238782986 ZGEFAXVVRGCCEZ-FAOGRTBUSA-N 332.421 3.768 0 1 EHAF C[C@@H]1CC[C@@]23OC(=O)[C@@]2(C)CCC[C@]3(C)[C@@]1(O)CCc1ccoc1 95486133 DMXTZCAYOFLPFQ-DSFJHFMVSA-N 332.440 3.865 0 1 EHAF biogenic,in-vitro C[C@@H]1C(=O)c2ccc3c(c2[C@@H](c2ccc4c(c2)OCO4)[C@H]1C)OCO3 257800073 ZTOORMQTJNUZOQ-PSVSLLHZSA-N 338.359 3.744 0 1 EHAF endogenous,in-man C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COC2CCC2)N1 587807920 FIYKOTAROIKGDU-TVQRCGJNSA-N 328.225 3.733 0 1 EHAF Clc1cnc2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 587007843 SXZKNPYVMUXPQB-UHFFFAOYSA-N 348.591 3.689 0 1 EHAF Cc1c(-c2nc3c(Br)nccc3[nH]2)oc2c1[C@@H](O)CCC2 586905399 NRBNEJJNWRNVSR-VIFPVBQESA-N 348.200 3.659 0 1 EHAF Oc1ccccc1C1(c2nc3cc(Br)cnc3[nH]2)CC1 586897099 QVHZPWOITVTXAI-UHFFFAOYSA-N 330.185 3.506 0 1 EHAF C[C@@]1(c2cnc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346391 MGRVDPOWGPGTKS-HKUYNNGSSA-N 338.338 3.529 0 1 EHAF C[C@H](c1ccc(N(C)C)cc1)c1nc2c(Br)ccnc2[nH]1 587196573 AAUNFIQFSPQLHL-SNVBAGLBSA-N 345.244 3.938 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncs2)N1 587852111 DDQVPKNYYIRDDT-CPFSXVBKSA-N 327.222 3.668 0 1 EHAF CO[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587811156 NFDBHLZGYYTCQH-SIVJFFJCSA-N 342.252 3.907 0 1 EHAF COc1ccc(C=O)cc1-c1nc2ccc(Br)c(F)c2[nH]1 587785918 DXAGNYQQVANANZ-UHFFFAOYSA-N 349.159 3.953 0 1 EHAF Fc1cnc2[nH]c(CCNc3ccc(Br)cc3)nc2c1 586996299 USYLDQLWHNMVGL-UHFFFAOYSA-N 335.180 3.514 0 1 EHAF O=C1C[C@H](c2cnc3n2C=CCC3=O)Oc2c1ccc1c2CCCC1 587514062 GBHLDWJFQCSOSD-GOSISDBHSA-N 334.375 3.526 0 1 EHAF Fc1ccc2[nH]cc(Cc3nc4cc(Br)cnc4[nH]3)c2c1 587174281 FZALJLQXQJMGTD-UHFFFAOYSA-N 345.175 3.932 0 1 EHAF CCCC(Br)(CCC)c1nc2ccc(C(N)=O)cc2[nH]1 586971630 WGGOWPAKVWHXGM-UHFFFAOYSA-N 338.249 3.852 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)co1)[C@@H](C2)C3=O 587416862 FZIVWIYVYDOKPH-ZUZCIYMTSA-N 335.153 3.539 0 1 EHAF CC(C)SC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605742 DZUGBZLDFUMSQT-HOTGVXAUSA-N 330.405 3.864 0 1 EHAF CN1C(=O)C[C@@H]2CN[C@H](c3cc4cccnc4cc3F)c3cccc1c32 963015724 ADMLDQMHNLPNIR-ASSNKEHSSA-N 347.393 3.517 0 1 EHAF Cc1ncc(C)n2nc(CCc3ccc4cc(Cl)ccc4n3)nc12 1772640112 VHJYDBZUHADEJZ-UHFFFAOYSA-N 337.814 3.728 0 1 EHAF CCC(CC)C(=O)NC[C@@H]1Cc2cc(-c3ccc(C)cn3)ccc2O1 11880395 YRFRBBVAQSNZEC-SFHVURJKSA-N 338.451 3.913 0 1 EHAF Cn1cc(CN2CCC[C@](CO)(Cc3ccccc3)C2)c2ccccc21 13594448 JCRUNEMYOKOKDJ-QHCPKHFHSA-N 348.490 3.996 0 3 EHAF Cc1c(C)c2c(c(C)c1N)C[C@@](C)(C[S@](=O)c1ccccc1)O2 13652124 MKKHLYVTXBQPAB-WMZHIEFXSA-N 329.465 3.695 0 1 EHAF Cc1ccccc1-c1ccc([C@H](C)[C@H](N)C(=O)N2CC[C@H](F)C2)cc1 14948192 IKQCBLCQFCETKP-QSFXBCCZSA-N 340.442 3.663 0 1 EHAF c1ccc(Cc2cn(C3CCN(Cc4ccccc4)CC3)nn2)cc1 1857534130 SACMWQXEALUQNE-UHFFFAOYSA-N 332.451 3.706 0 1 EHAF CC(=O)O[C@@H]1CCC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1 1857596466 KMNSIAPKJGLEHX-KXVBPSPBSA-N 348.439 3.666 0 1 EHAF COc1ccc2c(c1)CCN(C[C@H](F)CCc1ccccc1)C[C@@H]2O 1857621008 PNYGMIYJAXICCW-NQIIRXRSSA-N 343.442 3.558 0 1 EHAF COc1ccc([C@H]2OC(c3ccc(Cl)cc3)=NN2C(C)=O)cc1 564359 FNVFZEITICOIRI-QGZVFWFLSA-N 330.771 3.588 0 1 EHAF Cc1onc(-c2ccccc2F)c1C(=O)NCCc1ccc(F)cc1 774998 QYKOKXSKCSKMOY-UHFFFAOYSA-N 342.345 3.901 0 1 EHAF CC1=CC[C@H]2CCC3=C(C2(C)C)[C@](O)(C[C@H](C)CC(=O)C1)OC3=O 2356383649 SQWYOIGSEWYOLB-CKNLXJGOSA-N 332.440 3.690 0 1 EHAF O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@H]2C(=O)N1Cc1ccccc1 101157858 XOSPGPNKDYEJGU-LFGUQSLTSA-N 333.431 3.864 0 1 EHAF COC(=O)/C=C/[C@H]1CC[C@]2(O)CC3(CC[C@]12C)SCCCS3 26945996 PSBAOYYJFPVOPT-IRRRZFFYSA-N 342.526 3.613 0 1 EHAF CCC1=CCCN(CC[C@@H]2c3ccccc3N[C@@H]2[C@@H](C)C(=O)OC)C1 2356555056 HJKVRGWAXPVPRV-XFQXTVEOSA-N 342.483 3.806 0 1 EHAF O=Cc1c(O)ccc2nc(-c3cccc(C(=O)N4CCCC4)c3)ccc12 221063872 PWENXWKVQOHRHQ-UHFFFAOYSA-N 346.386 3.656 0 1 EHAF O=c1c2cnc3c(c2[nH]n1-c1ccc(OC2CCC2)cc1)CCCC3 140078246 IPNDIJKHPQRKNW-UHFFFAOYSA-N 335.407 3.524 0 1 EHAF Cc1ccc([C@@H]2SCC(=O)N2c2ccc3c(C)cc(=O)[nH]c3c2)o1 96905436 IDHOKCIPMOIEAK-SFHVURJKSA-N 340.404 3.517 0 1 EHAF COc1cc([C@]2(C)[C@H](C)C=C[C@@H]3CCC[C@H](C)[C@H]32)oc(=O)c1CO 28967146 PERPSPRSLXTSHY-WIHDJKEXSA-N 332.440 3.657 0 1 EHAF biogenic CC(C)C[C@](CCN1[C@H](C)CCC[C@H]1C)(C(N)=O)c1ccccn1 253644979 JXYNQQWXHSCGTC-HLIPFELVSA-N 331.504 3.504 0 1 EHAF CCc1ccc([C@@H]2N(c3ccc(OC)cc3)C(=O)[C@@H]3CCCN32)cc1 250512844 MCKKTZFQSKELSC-PMACEKPBSA-N 336.435 3.767 0 3 EHAF COc1cc(OC)c2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2c1 587138862 UNTDBCATVAWCDC-UHFFFAOYSA-N 336.313 3.783 0 1 EHAF Cc1ncccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587774190 TUPXEOZNHIGJJH-JDNHERCYSA-N 335.220 3.915 0 1 EHAF COc1ccc(C)cc1NCCCc1nc2cncc(Cl)c2[nH]1 587228412 CIQCSCBWSFFKFL-UHFFFAOYSA-N 330.819 3.973 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1nc(C)no1)CC2=O 587481801 IIJMUCRPMXZKCP-AUUYWEPGSA-N 342.395 3.708 0 1 EHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1 587783805 AOFKAWWJKUNKNR-NWDGAFQWSA-N 327.771 3.555 0 1 EHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(C)nc(C)cc2[nH]1 586963400 MRLLRBMNJUNAIG-LBPRGKRZSA-N 329.429 3.622 0 1 EHAF COc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587081177 WWFQOSYGWYYDPS-AWEZNQCLSA-N 340.814 3.949 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)c(-c3ccccc3)n1)O2 587392084 WCJYOVKHFFCLJT-SFHVURJKSA-N 333.391 3.684 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCn3cccc32)N1 587769881 GYINXFGEIFDISL-HWPZZCPQSA-N 335.220 3.571 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(s1)C[C@H](C)CC3)O2 587414649 NYNDZRGENDXAQY-RFAUZJTJSA-N 328.437 3.865 0 1 EHAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 587585218 CSNCQXALJAMANU-VQIMIIECSA-N 337.331 3.566 0 1 EHAF Oc1ncnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 587784138 MLBJJHWBIAHXNO-DHZHZOJOSA-N 344.374 3.808 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C3CC3)nc3sccn13)O2 587414156 KTKDGPGQGWGFLW-AWEZNQCLSA-N 339.420 3.870 0 1 EHAF Cc1cnc(Cl)c2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc12 587247397 LAYGGSXGCHEGCN-UHFFFAOYSA-N 343.818 3.966 0 1 EHAF COc1ccc(C=O)c(-c2nc3c(cnc4ccccc43)[nH]2)c1OC 587798385 VKYQMJIBJZYNIH-UHFFFAOYSA-N 333.347 3.608 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N)cc1Cl)[C@@H](C2)C3=O 587418047 GSAQEAGJZOPOAS-UGSOOPFHSA-N 329.783 3.594 0 1 EHAF C[C@@H](CC(=O)O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990927 OGAPNDBNMUNZLW-JTQLQIEISA-N 333.343 3.730 0 1 EHAF COC(=O)CC=C[C@@H](C)[C@H](OC)c1ccccc1Br 1857622784 WPCOPGOEBYZGMO-ABAIWWIYSA-N 327.218 3.892 0 1 EHAF COc1ccc(NC(=O)c2ccccc2-c2ccccc2)c(C(N)=O)c1 1772612141 PAYRDTMHGWSFDO-UHFFFAOYSA-N 346.386 3.713 0 1 EHAF COC[C@@]1(c2ccc(Cl)cc2)c2ccccc2C2=NCCCN21 13491089 MUEXSYLRFIXODP-LJQANCHMSA-N 326.827 3.696 0 1 EHAF COc1cc(-c2nccn2-c2ccc(F)cc2)cc(OC)c1OC 1857576599 NBAPRLAXAQNOHD-UHFFFAOYSA-N 328.343 3.704 0 1 EHAF Cc1ccc(CNC(=O)c2cc3c(Cl)ccc4c3n2CCO4)o1 20560055 RQPKDGSMCPNHAZ-UHFFFAOYSA-N 330.771 3.519 0 1 EHAF COc1ccc([C@@H]2CC(=O)c3c(O)c(C)c(OC)c(C)c3O2)cc1 32233128 LLBVNCCXXBDXBS-HNNXBMFYSA-N 328.364 3.733 0 1 EHAF biogenic Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2C(C)C)cc1 45389702 WZOJBEBFIMFXPM-GOSISDBHSA-N 345.464 3.603 0 1 EHAF COc1cc(-c2nnc(Cc3ccccc3)o2)ccc1-n1cnc(C)c1 72113349 HZONFCQWZKNULG-UHFFFAOYSA-N 346.390 3.830 0 1 EHAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)c1ccccc1Cl)C2 101324010 YMMWPMZCOBVCJT-CYBMUJFWSA-N 330.767 3.595 0 1 EHAF Clc1ccc([C@H](CCN2CCOCC2)N2CCCC2)cc1Cl 148897489 UPVLRNUPSLZGHM-KRWDZBQOSA-N 343.298 3.853 0 1 EHAF COc1ccc2[nH]c(-c3cc(O)cc(O)c3)c(-c3ccncc3)c2n1 169323367 DAFIALGILPWCBE-UHFFFAOYSA-N 333.347 3.712 0 1 EHAF COc1ccc(/C=C/c2c(OC)ccc(OC)c2OC)c(OC)c1 169330264 ICYLAFWPNFMVMB-VQHVLOKHSA-N 330.380 3.900 0 1 EHAF COc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2O)cc1 299840490 XKPGGURLSDNEFA-INIZCTEOSA-N 335.812 3.833 0 1 EHAF CC1(C)N(O)c2ccc(/C=C/c3ccc4c(c3)OCO4)cc2[N+]1=O 377815955 GSJGTUHSTHCCNY-ONEGZZNKSA-N 325.344 3.941 0 1 EHAF Cc1cc(-c2nc3cnncc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879507 JTJZZMHTLRWTCU-UHFFFAOYSA-N 330.347 3.694 0 1 EHAF O=C1CCc2cc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3cc2N1 586890972 RNUJHUGMEVEFMP-BTYIYWSLSA-N 329.403 3.819 0 1 EHAF COC(=O)c1cc2nc([C@@H]3O[C@H]3C)[nH]c2c(F)c1Nc1ccccc1 586917123 LPXUBCKWOMZVGR-XXFAHNHDSA-N 341.342 3.692 0 1 EHAF CCc1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1 586978836 JZDJPODHFXJKFA-UHFFFAOYSA-N 333.233 3.749 0 1 EHAF C[C@H](O)c1ncc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)s1 587021863 LQHFMLHSAOIGLY-NSHDSACASA-N 349.415 3.971 0 1 EHAF Cc1cc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c(C)n1 587079163 HDRZOMCQOOODGG-AWEZNQCLSA-N 339.830 3.952 0 1 EHAF COC(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587081442 WKDYHPXKLINXHW-OAHLLOKOSA-N 328.755 3.679 0 1 EHAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc4cn[nH]c4cc3[nH]2)n1 587118261 LSGMPBZPJDZZLY-UHFFFAOYSA-N 346.316 3.580 0 1 EHAF COc1nccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 587120177 BFAJRLUYQKBHDN-UHFFFAOYSA-N 333.273 3.529 0 1 EHAF COc1nccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c12 587198354 ZBCDZYPWARARGT-CYBMUJFWSA-N 334.420 3.531 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OC)cc1O)[C@@H](C2)C3=O 587418949 CCRRTKTZNHIKAQ-VOJFVSQTSA-N 346.766 3.552 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(O)[nH]c4cc(C)ccc14)[C@@H](C2)C3=O 587437707 JGNXRGQBEQGTQB-ORAYPTAESA-N 335.359 3.679 0 1 EHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1 587785775 OPRMQSFGBMKBLT-QWHCGFSZSA-N 327.771 3.555 0 1 EHAF C[C@H]1C[C@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587833549 NMZANRASDSYNPJ-FTGAXOIBSA-N 328.225 3.517 0 1 EHAF Cc1ncsc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587851781 CMAKDYIUFJTKFT-FUXBKTLASA-N 341.249 3.977 0 1 EHAF CCOc1ccc(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 587944993 CXLWLIUGXKEHRU-UHFFFAOYSA-N 332.419 3.644 0 1 EHAF CC1(C)CCC[C@]12N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962708846 KYAVXWSFFFJWGD-XJKSGUPXSA-N 345.336 3.849 0 1 EHAF COc1cc(OC)c([C@]2(C)NCCc3c2sc(C)c3C)c(OC)c1 963016402 YQAHFFGERSHCMH-IBGZPJMESA-N 347.480 3.800 0 1 EHAF CC1(C)Oc2cc3c(cc2C[C@@H]1O)[C@H]1Oc2cc(O)ccc2[C@@H]1CC3 2356615853 NCIDZOIOOOCWGG-YSSFQJQWSA-N 338.403 3.630 0 1 EHAF CCOC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2C(F)(F)F)C1 61906659 BBTUNWCMSJBUBP-MRXNPFEDSA-N 343.345 3.511 0 3 EHAF COc1cccc(-c2c[nH]c([C@H](O)c3ccc(Cl)c(F)c3)n2)c1 61926383 FQIOKUUTUGVIHB-MRXNPFEDSA-N 332.762 3.960 0 3 EHAF COP(=O)(OC)[C@H](Nc1ccc(C(=O)O)cc1)c1ccccc1 3092820 WHQFKVXQCJGLRI-HNNXBMFYSA-N 335.296 3.981 0 3 EHAF O=C1c2ccc(-c3ccc(F)cc3)cc2CCN1CCN1CCCC1 59113078 GHRKTWSYAPPZEP-UHFFFAOYSA-N 338.426 3.587 0 1 EHAF CCCc1ccc(/C=C2\CN3[C@@H]4CC[C@@H]3[C@H](C(=O)OC)[C@@H]2C4)s1 100969810 WPYLGFOVJBBYHQ-JZWXPDRQSA-N 331.481 3.740 0 1 EHAF COc1ccc2nc3c(O)n(Cc4ccccc4Cl)cnc-3c2c1 103533873 WUUUOJGASWABGL-UHFFFAOYSA-N 339.782 3.952 0 1 EHAF C[C@@](O)(c1ccccc1)c1nc(-c2cccc(C(=O)O)c2)cs1 61930339 JQHFDNPHIMXAOI-GOSISDBHSA-N 325.389 3.764 0 3 EHAF CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1N1CCCC1 28223356 NHNWFJNWIOZOLV-UHFFFAOYSA-N 334.803 3.701 0 1 EHAF CC=Cc1ccc(O[C@@H](C)[C@H](O)c2ccc(O)c(OC)c2)c(O)c1 2356651569 RXZPLAHSPWAGJM-BUXKBTBVSA-N 330.380 3.640 0 1 EHAF Cc1ccc(CN2CC[C@]2(C)C(=O)N[C@@H]2CCc3ccccc32)cc1 61908056 FFYCKUCVUJACLO-IFMALSPDSA-N 334.463 3.763 0 3 EHAF CCCN1C(=O)COCc2cc(-c3cc(F)ccc3OC)ccc21 74374887 KOXHDHXAUFCBPI-UHFFFAOYSA-N 329.371 3.775 0 3 EHAF C[C@H](O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801415 HABYHHAEXZCLGB-ZKUNIUGESA-N 333.516 3.847 0 1 EHAF NCCc1cn(Cc2coc(-c3ccc(F)cc3)n2)c2ccccc12 72103406 IDAJWHWUDNEOFJ-UHFFFAOYSA-N 335.382 3.985 0 1 EHAF CC[C@@H](C)Oc1ccc(-c2nc(CNCCCN(C)C)co2)cc1 72186298 UJRRQSZGLYIANC-OAHLLOKOSA-N 331.460 3.560 0 1 EHAF COc1ccc(N)c(C2=NN(C(=O)C3CCCCC3)C(C)(C)S2)c1 73278991 SJXRBRBLZIUUTJ-UHFFFAOYSA-N 347.484 3.831 0 1 EHAF Nc1ccnc(SC(F)(F)c2nc3c(Cl)cccc3o2)n1 73195842 RTUAZGGORQTXOF-UHFFFAOYSA-N 328.731 3.695 0 1 EHAF CC(C)[C@@H](CO)NCc1nc(-c2ccc3scnc3c2)ccc1F 216158779 LEBGTCPLQZNFPG-QGZVFWFLSA-N 345.443 3.604 0 1 EHAF O=C(COc1cccc(Br)c1)c1ccc(Cl)nc1 73165679 OAHDDRYOGWUGCS-UHFFFAOYSA-N 326.577 3.759 0 1 EHAF CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1C(F)(F)F 40973320 DKMITNDZRUDDGX-IRXDYDNUSA-N 337.341 3.944 0 1 EHAF COc1cc(O)c2c(c1)CC(=O)CCCC/C=C/C[C@@H](C)OC2=O 96905613 WPFPHTQEYJIBCM-DIECRNLCSA-N 332.396 3.578 0 1 EHAF CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255226634 LKQDFQLSEHWIRK-BNGGPYSISA-N 334.500 3.710 0 3 EHAF COc1cc(C(=O)c2ccn(-c3ccccc3)c2)cc(OC)c1OC 299825711 FFGBBUFSYUQLCM-UHFFFAOYSA-N 337.375 3.734 0 1 EHAF C[C@H](Oc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)O 653858592 AXTVJWQMDIHWNQ-NSHDSACASA-N 348.786 3.514 0 1 EHAF Cc1nscc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587854054 BFEUBWPFPJDILB-JKYUHCHBSA-N 341.249 3.977 0 1 EHAF Cc1nc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 587776313 WMPCWHFUGNNVHR-AYVTZFPOSA-N 339.208 3.682 0 1 EHAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(Br)ccnc2[nH]1 587196570 AAUNFIQFSPQLHL-JTQLQIEISA-N 345.244 3.938 0 1 EHAF C[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608060 JFYNOXGBNCXEDI-FXAWDEMLSA-N 340.375 3.539 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCCCC3)s1)O2 587413425 NSTHOQZAZFGEIV-HNNXBMFYSA-N 343.452 3.731 0 1 EHAF CC1(C)O[C@@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351739 JJLQSGNBHLPVSI-KPFFTGBYSA-N 342.366 3.826 0 1 EHAF Fc1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1Br 586917487 FVZXTHNDPPPBDJ-LBPRGKRZSA-N 349.159 3.977 0 1 EHAF CC(C)SC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605746 DZUGBZLDFUMSQT-JKSUJKDBSA-N 330.405 3.864 0 1 EHAF O=C(/C=C/c1nc2cc(C(F)(F)F)ncc2[nH]1)Nc1ccccc1 587243181 CROUIHUDDGYXKZ-VOTSOKGWSA-N 332.285 3.629 0 1 EHAF CCCCN/C(=C1/N=CN(CCCC)C1=O)c1cc2ccccc2[nH]1 206782990 IURGMCHLXJZKGT-VHEBQXMUSA-N 338.455 3.897 0 1 EHAF O=C(Nc1cccnc1)c1ccc(OC(F)F)c(OCC2CC2)c1 1772573152 UZHICMGVAYPCLG-UHFFFAOYSA-N 334.322 3.724 0 1 EHAF O=C(O[C@H]1CN2CCC1CC2)N1Cc2ccccc2[C@H]1c1ccccc1 13674411 WMJTZVTXTCGPDB-LEWJYISDSA-N 348.446 3.822 0 1 EHAF O=c1ccoc2cc(OCCCN3CCc4ccccc4C3)ccc12 13860943 JBBKVIZRIKLARL-UHFFFAOYSA-N 335.403 3.620 0 1 EHAF Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)c1 1359189 NXIKVPNMIJLGKK-SFHVURJKSA-N 343.471 3.749 0 3 EHAF CCc1cccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 3906296 VLWXHGAPFPESKB-GOSISDBHSA-N 338.407 3.619 0 1 EHAF CCCCCC[C@H](C)C=C(C)[C@H]1OC(=O)C(=CCC(=O)O)C[C@@H]1O 2356439627 XMARGTUPGWFYOK-QANKJYHBSA-N 338.444 3.617 0 1 EHAF CO[C@]1(C)C[C@@H](c2ccccc2)c2c(c3cc(O)ccc3oc2=O)O1 27555400 BZHUMHCHTRYRMG-YWZLYKJASA-N 338.359 3.776 0 1 EHAF CN(Cc1ccccc1)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3 118734844 QNILRULQYXFJMQ-UHFFFAOYSA-N 333.435 3.518 0 1 EHAF CC1(C)CN(Cc2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 61923221 LJWOEHFLMUWVTR-GOSISDBHSA-N 336.435 3.700 0 3 EHAF Fc1ccc(Nc2ncc3c(n2)CCN(Cc2ccccc2)C3)cc1 21639822 FYOLWAUQXDNHIY-UHFFFAOYSA-N 334.398 3.918 0 1 EHAF CN1CCc2c(c(-c3ccc(F)cc3)nn2CCc2ccccc2)C1 28006311 GSXYWPMZPIKWBL-UHFFFAOYSA-N 335.426 3.920 0 1 EHAF CCC=CCC=CC[C@H](O)[C@@H](O)C=C[C@@H]1CC=CCCCC(=O)O1 2356490586 OIBRTSVGCWTYLU-FHWLQOOXSA-N 334.456 3.609 0 1 EHAF CC1(C)c2ccccc2N2CC(=O)N[C@]21C=Cc1ccccc1Cl 2356544961 KOQXQTUEKMHWEK-HXUWFJFHSA-N 338.838 3.977 0 1 EHAF CC1(C)Oc2cc3cc(-c4cc(O)cc(O)c4)oc3cc2C[C@@H]1O 2356587503 NKPFHPBRHZODPH-SFHVURJKSA-N 326.348 3.585 0 1 EHAF CCN(CC)CCN1CCc2c([nH]c3ccccc23)[C@H]1c1cccnc1 22922365 ZLBQRZFRWCJAPS-JOCHJYFZSA-N 348.494 3.852 0 1 EHAF CCC=CC[C@@H]1C=C[C@@H]2[C@H](O)CC(=O)[C@@H]2CC=CCCCC(=O)O1 2356721369 BZTIGFGJIMLNRE-VXIBKDFQSA-N 332.440 3.507 0 1 EHAF COC(=O)c1sc2cc(-c3ccc(C(C)=O)cc3)cnc2c1N 66259503 GILZDXPUDLJTNV-UHFFFAOYSA-N 326.377 3.535 0 1 EHAF CN1[C@H]2CC[C@@H]1[C@H](C(=O)N1CCCC1)[C@H](c1ccc(Cl)cc1)C2 36271739 FDJNTRXHKYKJDR-WNRNVDISSA-N 332.875 3.529 0 1 EHAF Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C)cc(CN2CCOCC2)c1C 45259920 WSOHKASMFUAWFD-QRWLVFNGSA-N 344.499 3.900 0 1 EHAF COc1cccc(CNc2cncc(Oc3ccccc3)n2)c1OC 82068589 DDAOPNHQCNDBTF-UHFFFAOYSA-N 337.379 3.898 0 1 EHAF Fc1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)o2)c(F)c1 96282992 QJNFIVBBKIQWKQ-UHFFFAOYSA-N 326.306 3.676 0 1 EHAF CC1=N[C@](c2ccc(F)cc2)(c2cccc(-c3cccnc3)c2)N=C1N 95577467 PXUUVOWXCHBBOB-NRFANRHFSA-N 344.393 3.921 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@]4(C)[C@H]3CC[C@@]12C 253991736 QMLITUVHFWKQTB-FXKZTBAMSA-N 347.499 3.829 0 1 EHAF CC(C)(Oc1ccc(Br)cc1)c1nc2c(N)ccnc2[nH]1 586995929 MANSGNSXWMVJNK-UHFFFAOYSA-N 347.216 3.617 0 1 EHAF COc1ccc(/C=C/Cc2nc3ccc(Cl)nc3[nH]2)c(OC)c1 587930160 QKBQEKPECGXPLQ-ONEGZZNKSA-N 329.787 3.884 0 1 EHAF C[C@H](O)c1ncc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)s1 587022397 QHXICZCPSWFFAC-LURJTMIESA-N 329.303 3.638 0 1 EHAF COC(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587153412 ZSZYBSODBVMMSG-RYUDHWBXSA-N 328.318 3.899 0 1 EHAF C[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620056 WQOIUTDCRMLPJH-KSSFIOAISA-N 339.372 3.726 0 1 EHAF Cc1c(-c2nc3c(Cl)ncnc3[nH]2)cnn1-c1ccc(Cl)cc1 587076679 YLOFPDIOJCAVGR-UHFFFAOYSA-N 345.193 3.821 0 1 EHAF COC(=O)c1ccc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 587929397 ISBCPHLDDONQKX-VBKZILBWSA-N 336.391 3.803 0 1 EHAF CCOc1ccc(O)n1-c1cnc2cc(Br)ccc2c1 587939181 IXOHXWWWSYHUMH-UHFFFAOYSA-N 333.185 3.892 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc(Cl)ncc1C)CC2=O 587460969 LMLHWBUAUIUADT-GOSISDBHSA-N 346.814 3.977 0 1 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0 1 EHAF FC(F)(F)[C@](F)(Cl)c1nc2ccc(Br)nc2[nH]1 587090387 PSPUQLVQHSURHI-ZETCQYMHSA-N 332.482 3.644 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cnc1OC)CC2=O 587484726 FXPBVOAJADNABF-QGZVFWFLSA-N 327.380 3.763 0 1 EHAF CN1C(=O)C[C@@H]2CN[C@](C)(C(F)(F)c3ccccc3)c3cccc1c32 963021474 JKLAYTZCTJBJHQ-YJYMSZOUSA-N 342.389 3.747 0 1 EHAF O=C(O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1 13759001 XUDLXBFOMJEHND-UHFFFAOYSA-N 325.343 3.616 0 1 EHAF CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NC2CCOCC2)C1 15063734 GFPKSEXZFQNEAW-SFHVURJKSA-N 343.446 3.794 0 1 EHAF Nc1ccccc1NC(=O)CCc1ccc(CC(=O)c2ccccc2)o1 167027702 GRPAPMCJSYGKFO-UHFFFAOYSA-N 348.402 3.859 0 1 EHAF FC(F)(F)c1ccccc1-c1cncnc1NCCc1cnc[nH]1 4239470 NTSULYAGONAQME-UHFFFAOYSA-N 333.317 3.540 0 1 EHAF CCCCCCC1=NOC[C@@]1(C)C(=O)NCCc1ccccc1F 4295060 RVKCQOSZFLNFDZ-LJQANCHMSA-N 334.435 3.847 0 1 EHAF COc1ccc(/C=C(/F)c2cc(OC)c(OC)c(OC)c2)cc1O 6733325 BSMFLBRBIHSDRE-NTUHNPAUSA-N 334.343 3.894 0 1 EHAF CN(Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCCN2CCCC[C@H]12 55133490 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EHAF CCCC[C@H](Cc1coc2nc(N)nc(N)c12)c1ccccc1OC 45349015 VYSGSWCDOXJVNF-GFCCVEGCSA-N 340.427 3.912 0 1 EHAF CCN(CC)C(=O)[C@H]1CCCc2c1c1ccc(OC)cc1n2CCF 82154715 OJLXUHNMGMOOSB-INIZCTEOSA-N 346.446 3.908 0 1 EHAF COc1ccc(/C=C/Cc2cc(OC)c(OC)c(OC)c2)cc1OC 45364061 KBJCUMGVKQSYFH-VOTSOKGWSA-N 344.407 3.986 0 1 EHAF C/C=C(/C)C(=O)OCc1c2c(c(OC)c3occc13)C=C[C@H](O)[C@@H]2C 238739370 VTTQQQRAJGAPLK-UCVNCGJNSA-N 342.391 3.942 0 1 EHAF C=CC(=O)OC[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 621485885 RPQPGPGDNYCDFT-NSHDSACASA-N 342.222 3.575 0 1 EHAF Cc1ccc(-c2cnc(C3(NCc4cncnc4)CCCC3)[nH]2)cc1 473096605 ZLOOMTUKQUHEKI-UHFFFAOYSA-N 333.439 3.734 0 1 EHAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 587930884 QGUPVMYIPOKBEE-QFYYESIMSA-N 348.328 3.777 0 1 EHAF COc1cc(/C=C\c2nc3cccnc3[nH]2)ccc1Br 586976606 GSBUCHDUSINDTM-ALCCZGGFSA-N 330.185 3.899 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc3cn(C)nc13)CC2=O 587475385 LEKLATPUWNGYDL-SFHVURJKSA-N 336.391 3.938 0 1 EHAF Fc1cc(F)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587040586 IEBPYNVTQVDYMW-CABCVRRESA-N 331.391 3.787 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCn3cccc32)N1 587768958 FHGXBGQVXVSPHX-DIFFPNOSSA-N 349.247 3.961 0 1 EHAF Cc1cc(-c2nc3c[nH]c(=N)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586881773 YFDYPZBRIOOJRE-UHFFFAOYSA-N 344.374 3.711 0 1 EHAF CCO[C@@H]1CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587811185 NIHODDKRGZIVAU-TURKWSHLSA-N 328.225 3.517 0 1 EHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cccc(F)c2[nH]1 586972665 KFRMEBPWANAOCS-INIZCTEOSA-N 343.427 3.813 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)C(C)(C)C1)CC2=O 587488520 KJWLHXBYBXMSOI-JLTOFOAXSA-N 346.423 3.960 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(C3CCCCC3)c1)O2 587392696 VWYWITMFSDBPPG-GOSISDBHSA-N 325.412 3.985 0 1 EHAF CC[C@H](C)CC(=O)c1c(CO)oc2cc(Br)cnc12 587273723 OEGFUSLVQJZLFL-QMMMGPOBSA-N 326.190 3.702 0 1 EHAF CCc1ccc(OC)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587440793 BANGZHHEPSBZOZ-IERDGZPVSA-N 338.403 3.929 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(SC)c1)[C@@H](C2)C3=O 587451041 IOVDRCJJQRRAPP-DJJJIMSYSA-N 342.416 3.914 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ncccn3)c1)O2 587393526 ILBFSROBLOQYAF-GOSISDBHSA-N 331.375 3.741 0 1 EHAF C=Cn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587762379 YEEFVFTUYYFUPX-VFZGTOFNSA-N 336.208 3.509 0 1 EHAF Cc1cccc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587388266 ZIPLFACYUCHFTF-SHBDEGQCSA-N 336.435 3.822 0 1 EHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cnc(Cl)[nH]c-2n1 587926072 HKJAWKAMCPLUPB-JTQLQIEISA-N 332.791 3.517 0 1 EHAF COc1ccc(Cl)c2c1CCN[C@H]2c1cccn1C[C@@H]1CCCO1 963259030 QRRPXULASOGEPQ-DJJJIMSYSA-N 346.858 3.564 0 1 EHAF O=C1OCC(c2ccc(O)cc2)=C1c1ccc(Br)cc1 1857652814 JOLDIURYCFPCKL-UHFFFAOYSA-N 331.165 3.622 0 1 EHAF COCc1ccc(CN2CC[C@@]3(CCCN(CC4CCC4)C3)C2)o1 11839666 UZAXBANMOFVARR-HXUWFJFHSA-N 332.488 3.514 0 1 EHAF CC(=O)OC[C@@]12CO[C@H]3c4ccccc4O[C@@](C)(C[C@@H]1C)[C@H]3[C@@H]2C 12285423 YMPPYMYJLCYPBO-FPXFSHPISA-N 330.424 3.751 0 1 EHAF c1ccc(Nc2nccc(-c3c(C4CC4)nn4ncccc34)n2)cc1 13582764 BWBMBCPGRIOUNV-UHFFFAOYSA-N 328.379 3.807 0 1 EHAF Cc1nn(-c2ccccc2)c2c1c(=O)c1cc(Cl)ccc1n2O 14959949 NLNVCPSZHKGGDI-UHFFFAOYSA-N 325.755 3.540 0 1 EHAF CCCCc1c(C)nc2nc(NCc3ccc(Cl)cc3)nn2c1O 15668910 VZIPDSKASYXHKY-UHFFFAOYSA-N 345.834 3.746 0 1 EHAF COC(=O)[C@@]12C=NC[C@@]3(CCC1)[C@@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@@H]23 2356393502 LLVMHQOQVUMUSA-DCYWNPPLSA-N 341.451 3.996 0 1 EHAF CC(C)c1ccc2c(c1)NC(=O)CC(c1cccc(-n3ccnn3)c1)=N2 101491841 KMAYCBMPGJSAQM-UHFFFAOYSA-N 345.406 3.854 0 1 EHAF CCC[C@@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl 103277674 YZWQWQQFDKLZPS-QMMMGPOBSA-N 348.177 3.860 0 1 EHAF CC(C)NCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 103290701 YCEJUJDELCGUJN-UHFFFAOYSA-N 339.391 3.542 0 1 EHAF O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc([C@H]2CCCN2)s1 23214660 HFYRHHWMZWJMMN-OAHLLOKOSA-N 338.436 3.815 0 1 EHAF CO[C@]1(C)C[C@@H](c2ccc(O)cc2)c2c(c3ccccc3oc2=O)O1 27554869 ADZNYMHOFIXDFZ-YWZLYKJASA-N 338.359 3.776 0 1 EHAF COc1ccc(-c2csc([C@@H](O)c3cccc(Cl)c3)n2)cn1 61929322 MVHBCXVKZONCHC-HNNXBMFYSA-N 332.812 3.949 0 3 EHAF Cc1ccccc1-c1nc(CN2CCN(c3ccccc3)CC2)co1 72142857 NAVNQBGEILUORK-UHFFFAOYSA-N 333.435 3.972 0 1 EHAF CCc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C 36380019 VWLICWIIYRNSBY-UHFFFAOYSA-N 341.411 3.700 0 1 EHAF C[C@H]1CCCC(=O)[C@@H](C)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 40981241 UUJWDQDIRVJCGT-KMEVASEGSA-N 332.396 3.826 0 1 EHAF COCc1ccccc1CCN1CCCC[C@H]1[C@H](O)c1ccccc1 85486955 OQGFTWNDUDCPTQ-FCHUYYIVSA-N 339.479 3.964 0 1 EHAF biogenic,in-vitro CCc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC(C)C)n2)cc1 82191957 UDJLHXGMYCYMOA-KRWDZBQOSA-N 343.496 3.866 0 1 EHAF Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NC2CC2)cn1 142728028 FZJSANSRPNZTNR-UHFFFAOYSA-N 348.406 3.549 0 1 EHAF CCC1=CCCN(CC[C@@H]2c3ccccc3N[C@H]2[C@H](C)C(=O)OC)C1 238743497 HJKVRGWAXPVPRV-CVAIRZPRSA-N 342.483 3.806 0 1 EHAF O=C1Cc2ccccc2N1CCCCN1CC[C@H]2CCCC[C@@H]2C1 299834521 YNLOXAYJVKNVTG-IEBWSBKVSA-N 326.484 3.868 0 1 EHAF N=c1[nH]ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587113676 WPZJSNAZNBNBSW-UHFFFAOYSA-N 329.285 3.604 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@H]1C(=O)OC)CC2=O 587480893 PXFHTNVYWKREAW-MGPUTAFESA-N 346.423 3.802 0 1 EHAF C[C@@H](O)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587531901 NMARWRGXFACZLI-BLVKFPJESA-N 328.433 3.868 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccnc4)o1)[C@@H](C2)C3=O 587436526 QDRXFZHIZBYAJQ-XOBRGWDASA-N 333.343 3.839 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)cc(C)c1OC)[C@@H](C2)C3=O 587440770 ARVYBDRVUNLBGO-YCRPNKLZSA-N 338.403 3.983 0 1 EHAF C=C(c1cnccn1)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862334 KLHHHMXFYLCIKW-UHFFFAOYSA-N 346.312 3.887 0 1 EHAF COc1cc(OC)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587017186 SNKPGGPKVLWZKD-LBPRGKRZSA-N 331.397 3.555 0 1 EHAF OCC12CCC(c3nc4ccc(Br)cc4[nH]3)(CC1)CC2 586895597 OUUJMDTUXWIDIW-UHFFFAOYSA-N 335.245 3.910 0 1 EHAF CC(=O)Nc1cccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587241936 GCNNHPGANLMJKT-UHFFFAOYSA-N 335.194 3.814 0 1 EHAF CC(C)CC(=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812835 LBNTZZJSHXTMAS-QLJPJBMISA-N 342.252 3.953 0 1 EHAF CC[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccccc1 587651900 GSZAQVROONBLTB-OAHLLOKOSA-N 326.783 3.884 0 1 EHAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587195496 KUQRUWMZKGRROL-SNVBAGLBSA-N 327.359 3.618 0 1 EHAF CCOC(=O)C1([C@@]2(C)c3ccsc3CCN2Cc2ccco2)CC1 962717989 WEMFBRZWFCXRII-GOSISDBHSA-N 345.464 3.958 0 1 EHAF C[C@]1(c2nccnc2Cl)NCCc2c(Cl)cc(Cl)cc21 963101425 AXAQFTPYEOMRAU-AWEZNQCLSA-N 328.630 3.846 0 1 EHAF CCSc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962902768 LXXJMYJACDRAJG-RDJZCZTQSA-N 331.412 3.626 0 1 EHAF CC[C@]12C=CCN3CCc4c(n(c5ccccc45)C(C(=O)OC)=C1)[C@@H]32 14829311 ZOOBFVQMUFLESF-CTNGQTDRSA-N 334.419 3.534 0 1 EHAF biogenic CC(=O)OC[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccc(Cl)c1 169313665 NULBFCVSTMAXPP-SAQUHLLZSA-N 331.843 3.769 0 1 EHAF CCOC(=O)c1ccc(OCCCCSc2nccn2C)cc1 169346997 JRDVSRCOEGEFTE-UHFFFAOYSA-N 334.441 3.548 0 1 EHAF NCCCn1cc(-c2ccc3c(c2)CC[C@@H]3N=O)c(-c2ccncc2)n1 169686124 QEGWQNKUFAZZCG-IBGZPJMESA-N 347.422 3.715 0 1 EHAF Cc1ccc(NC(=O)[C@]2(C)CCN2Cc2ccccc2Cl)cc1O 1857619149 IPKYDXBNKWNYGZ-IBGZPJMESA-N 344.842 3.957 0 1 EHAF O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc([C@@H]2CCNC2)cc1 117723913 UZIHSWAETLBUMR-OAHLLOKOSA-N 348.368 3.964 0 1 EHAF CC[C@@H](C)NC(=O)c1sc2ncnc(N3CCC(C)CC3)c2c1C 223796 OEJPGNKHARDEFL-GFCCVEGCSA-N 346.500 3.764 0 1 EHAF CN1CCC=C(c2nsnc2SCCCc2ccccc2)C1 2014707 YPIJABWYOZAYLQ-UHFFFAOYSA-N 331.510 3.982 0 1 EHAF CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@H]1CCC[C@H](C)[C@H]1C 3895735 AQQROLPNBMFHBE-CIRFHOKZSA-N 336.520 3.648 0 1 EHAF C[C@]12CC(=O)[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@@H]1CCCC2=CCO 2356308013 JTOOMWOXUKJUIP-DEGLRSDFSA-N 346.511 3.878 0 1 EHAF Cc1cc(NCCN2[C@H]3CCC[C@H]2CC3)nnc1-c1ccccc1O 100989468 JFRJXKLPHVKXSH-HOTGVXAUSA-N 338.455 3.586 0 1 EHAF COC(=O)c1cc2c([nH]1)c(OC)cc1nc(-c3ccccc3)cc(O)c12 28570990 COZYLVXQETWOEC-UHFFFAOYSA-N 348.358 3.884 0 1 EHAF COc1cc(OC)cc([C@H]2CC(c3ccccc3F)=NN2C(C)=O)c1 64303485 UGMHUGPJIMPQMA-LJQANCHMSA-N 342.370 3.541 0 1 EHAF CCCc1c(OCc2ccccc2C(=O)O)ccc(C(C)=O)c1O 27894657 GXHZNAZYRKOIFC-UHFFFAOYSA-N 328.364 3.825 0 1 EHAF O=C1[C@H](c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2 26273170 LQRUHPTVKTXHPR-IBGZPJMESA-N 339.410 3.543 0 1 EHAF CC(=CCCC1=CC(=O)OC1)CCC=C(C)CC[C@H](O)C(C)(C)O 2356629097 QHQVIZDBKVYMNF-SFHVURJKSA-N 336.472 3.835 0 1 EHAF Cc1ccccc1[C@@H]1CC(c2ccccn2)=NN1C(=O)c1ccncc1 38243982 XPATUSNQYPUKRF-FQEVSTJZSA-N 342.402 3.777 0 1 EHAF O=c1ccc(Cc2ccc(Cl)c(Oc3ccccc3)c2F)n[nH]1 40404526 NOVPOXGMADEKPP-UHFFFAOYSA-N 330.746 3.946 0 1 EHAF in-vivo CN1CCCc2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc21 40764486 MWCXKERYRUMEMG-UHFFFAOYSA-N 332.407 3.507 0 1 EHAF CN1CCC[C@H]1[C@H]1C[S@@](=O)[C@@](c2ccccc2)(C2CCCCC2)O1 40429985 UNZBDOQVZFAUNP-VKDGWMQASA-N 347.524 3.661 0 1 EHAF O=C(c1ccc(-c2nc(-c3ccncc3)no2)s1)C(F)(F)F 40861292 LMQNGVNXXKVSAT-UHFFFAOYSA-N 325.271 3.605 0 1 EHAF CCN(C)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccco1 82142892 BSUCGAQTVSUNJM-UHFFFAOYSA-N 328.416 3.573 0 1 EHAF O=C(Nc1ccc(-n2ccnc2)cc1)NC12CC3CC(CC(C3)C1)C2 84757401 JZIJKHPOTZLYCO-UHFFFAOYSA-N 336.439 3.963 0 1 EHAF C/C(=C/CC/C(=C/CC/C(C)=C/CCC1=CCOC1=O)C(=O)O)CO 238747953 PBCSYPQMDFCIIL-JLGVZOGISA-N 348.439 3.706 0 1 EHAF COc1ccc2c(c1)CCCN2c1nc(=NC2CC2)[nH]c2ccccc12 473096822 BQVHGVQPQZFDCZ-UHFFFAOYSA-N 346.434 3.719 0 1 EHAF CC(C)(C)NC(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 299829420 KGDIYZJCXWPIDC-UHFFFAOYSA-N 346.406 3.563 0 1 EHAF O=C(O)/C=C\c1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 586879909 OGTISILSHMNFHX-WAYWQWQTSA-N 333.269 3.742 0 1 EHAF CSc1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587228732 XJKIOCBKRUOOBB-UHFFFAOYSA-N 341.436 3.754 0 1 EHAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(O)cccc3[nH]2)s1 587023414 PJPIQYNJAMTCFA-UHFFFAOYSA-N 332.385 3.739 0 1 EHAF CC[C@H](C)Sc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587409997 OYNACAYGVMMQBA-ZBEGNZNMSA-N 343.452 3.964 0 1 EHAF C[C@]1(c2scnc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587535773 OJOZZPDDUOGIRC-GOSISDBHSA-N 343.404 3.601 0 1 EHAF CC(C)(C)Sc1ccccc1-c1ccc2c(O)nc(O)nc2n1 587563685 VPEOOJMQEOFAQE-UHFFFAOYSA-N 327.409 3.994 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1nccc4ccccc14)[C@@H](C2)C3=O 587435119 CUYLKLAGTRHMCE-HRAATJIYSA-N 331.371 3.906 0 1 EHAF Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587634322 YRDYANCXRGTGPV-UHFFFAOYSA-N 325.265 3.599 0 1 EHAF COc1ccc(C2=NN(c3nsc4ccccc34)C(=O)CC2)cc1 5844080 UBLFVASNCCFPTJ-UHFFFAOYSA-N 337.404 3.836 0 1 EHAF CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 12867364 AQQROLPNBMFHBE-FZCLSBEQSA-N 336.520 3.648 0 1 EHAF CC(C)CC/C=C/C=C/C(=O)Nc1cc(CCC(=O)O)c(O)cc1O 169330549 YNZQGWOIMLILOA-PBOULFJWSA-N 347.411 3.602 0 1 EHAF CN(C)[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 206040945 VWWCLDFVCYPVPK-FCIYXJNOSA-N 340.511 3.731 0 3 EHAF Fc1ccc(-c2cc(-c3ccc([C@@H]4CNCCO4)cc3)n[nH]2)c(F)c1 205114563 SBBCKCFCSKBBPJ-IBGZPJMESA-N 341.361 3.683 0 1 EHAF CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1)C2=O 2033842 PKFGHAIJIHZQFD-UHFFFAOYSA-N 335.382 3.777 0 1 EHAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4OC(=O)C=C[C@]4(C)[C@H]3CC[C@@]12C 2356487061 NJHXENDODLZLSB-VITWEKAKSA-N 332.440 3.642 0 1 EHAF CNCCC[C@@H]1Cc2cc(F)ccc2N(c2ccc(C)cc2)C1=O 6716516 BEKVIGOVWYQMOT-OAHLLOKOSA-N 326.415 3.971 0 1 EHAF COc1ccc(-c2cc(=O)n(C3CC3)nc2-c2ccc(OC)cc2)cc1 26399267 UFYYAZUWJJKGJZ-UHFFFAOYSA-N 348.402 3.929 0 1 EHAF COC(=O)[C@@H]1[C@@H](c2cccc(-c3ccco3)c2)C[C@@H]2CC[C@H]1N2C 26257959 ITEKLFIKJBIAEP-DODZYUBVSA-N 325.408 3.686 0 1 EHAF Cc1noc(/C=C/c2ccccc2OC[C@@H](O)CNC(C)(C)C)c1C 29239175 ZBYCHQJNNCJNJD-DVQDXYAYSA-N 344.455 3.590 0 1 EHAF CC(C)[C@H]1CC[C@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 31318553 QTYCMDBMOLSEAM-NXHRZFHOSA-N 333.863 3.588 0 1 EHAF CC(=O)NCCN1C(C)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 72123596 FVINCYMHTZGLMU-IBGZPJMESA-N 341.842 3.931 0 1 EHAF C[C@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 40449286 WABPWKRYVLWCHS-VHFVMGIOSA-N 345.483 3.621 0 1 EHAF COC(=O)[C@H]1[C@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1[S@@]2=O 40767504 MIMHZFDDUBVDSD-FFAYZJBMSA-N 347.263 3.550 0 1 EHAF CCSCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccco1)C2 198593776 OGOORNQQCFUZAH-LLVKDONJSA-N 333.409 3.696 0 1 EHAF in-vivo C[C@]12CC[C@H]3[C@@H](C(=O)c4occ5c4[C@]3(C)CCC5=O)[C@@H]1CCC2=O 95579494 CDGIQLQWGYQLIH-CLQZEHDMSA-N 326.392 3.722 0 1 EHAF O=C1Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)cc2S1 96169383 MOTFTWUWLXTIEO-MSOLQXFVSA-N 349.455 3.806 0 1 EHAF C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C[C@H]1OC(=O)CC[C@H]1CC 238773424 UKUHYDSKNMYCAN-FSEPSNHWSA-N 326.477 3.723 0 1 EHAF in-vitro CCO[C@@H](CC(=O)O)c1ccc(O[C@H]2CCc3ncccc32)cc1 473107419 IVDDLPSTCYZUTO-ROUUACIJSA-N 327.380 3.700 0 1 EHAF c1ccc(-c2csc(Nc3ccc(N4CCOCC4)cc3)n2)nc1 473135290 HCDREACMELFKJV-UHFFFAOYSA-N 338.436 3.785 0 1 EHAF CC(C)Oc1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 587157370 TUTXDNHFCAHWCS-IFXJQAMLSA-N 325.387 3.831 0 1 EHAF Cc1oc2c(c1-c1nc3cc(Br)ncc3[nH]1)C(=O)CCC2 586903703 NJSAHWQXDNRDKA-UHFFFAOYSA-N 346.184 3.808 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O 587421655 WENTUAGODBQBCK-KPZWWZAWSA-N 330.767 3.846 0 1 EHAF Fc1cnc(Cl)c2[nH]c(-c3ncoc3CCC(F)(F)F)nc12 587091219 CJMLRRSERJTIRW-UHFFFAOYSA-N 334.660 3.900 0 1 EHAF COc1cc(C2(c3nc4cc(F)cc(C(=O)O)c4[nH]3)CC2)ccc1C 587927645 VJQXDFCADSPUKO-UHFFFAOYSA-N 340.354 3.797 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c[nH]c3nccc(Cl)c13)O2 587379630 JTTOMHAZULAEMF-GOSISDBHSA-N 341.798 3.988 0 1 EHAF C[C@H](c1nc2cc(Br)cc(F)c2[nH]1)n1cc(Cl)cn1 587080819 YPKBFAVRLIYZIS-ZCFIWIBFSA-N 343.587 3.924 0 1 EHAF O=C1C[C@@H](c2cc3c(cc2O)OCO3)Oc2c1ccc1c2CCCC1 587535559 LBCHDHWYAORULI-KRWDZBQOSA-N 338.359 3.706 0 1 EHAF COC(OC)c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587384119 ARLBJMLZDPAENY-MRXNPFEDSA-N 345.370 3.714 0 1 EHAF Cc1cc2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc2c(C)n1 587041586 ZKXUSNIVPWGCEB-LBPRGKRZSA-N 334.445 3.557 0 1 EHAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587952105 LYLUDCIZZFAUHI-HSMVNMDESA-N 343.427 3.940 0 1 EHAF C[C@H](Sc1ncccn1)c1nc2ccc(Br)cc2[nH]1 586963022 WRLXHLOWYWFGKZ-QMMMGPOBSA-N 335.230 3.969 0 1 EHAF O=C(O)c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1F 587036662 IXJNOGBCRWIDGG-CYBMUJFWSA-N 334.397 3.840 0 1 EHAF Fc1ccc2nc(C(F)(Br)Br)[nH]c2c1 587086898 IHGQODYCNZQRFW-UHFFFAOYSA-N 325.938 3.572 0 1 EHAF CCSc1cccc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963494267 ZRSIFOPFFKMLPC-FUHWJXTLSA-N 343.448 3.501 0 1 EHAF CN1C(=O)C[C@@H]2CN[C@@H](c3cc4cccnc4cc3F)c3cccc1c32 963015725 ADMLDQMHNLPNIR-LRTDBIEQSA-N 347.393 3.517 0 1 EHAF COc1cccc2cc3c(nc12)[C@]1(CCCc2ccccc21)NCC3 963044013 BLCBBFWPQQADIC-JOCHJYFZSA-N 330.431 3.969 0 1 EHAF O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@@H](C(F)(F)F)C1 1857614542 IAKCKNSKGAFCTC-ZCFIWIBFSA-N 328.117 3.723 0 1 EHAF Nc1nc(NCc2ccccc2)c2c(n1)[nH]c1cc(Cl)c(O)cc12 1772589451 PAYCRDSPPPKSMH-UHFFFAOYSA-N 339.786 3.664 0 1 EHAF Cc1cc(Cl)c2oc(C(=O)N[C@@H](C)c3ccncn3)c(C)c2c1 11996911 HYJUQCQHBVDAIJ-NSHDSACASA-N 329.787 3.984 0 3 EHAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN[C@@H]1N2C 13797556 QJNHONPWJGXIOZ-QUCCMNQESA-N 337.423 3.633 0 1 EHAF Cc1cccc(CNc2ccnc(-c3ccc(C(=O)N(C)C)cc3)n2)c1 4268407 ISGFJSJTEUWYQX-UHFFFAOYSA-N 346.434 3.766 0 1 EHAF CN(Cc1cccc2ncccc12)c1nncc(-c2ccc(F)cc2)n1 12314031 FVWMFAKBNIDTGL-UHFFFAOYSA-N 345.381 3.862 0 1 EHAF CN1C[C@@H]2C[C@@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)[C@H]1C2 13456297 VERXRKORTGMYCE-PWIZWCRZSA-N 335.447 3.628 0 1 EHAF Cc1ccc2c(c1)C(NCC[C@@H]1CCCN1C)=Nc1cccnc1N2 13492103 RUWYMWYTNJZGOU-HNNXBMFYSA-N 335.455 3.599 0 1 EHAF CONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 13553621 UTBVGFBTLGXPST-UHFFFAOYSA-N 332.212 3.724 0 1 EHAF COc1cccc(CCN2CCCC2)c1OCCc1ccccc1 13795765 XCBHCSGECGOBJS-UHFFFAOYSA-N 325.452 3.955 0 1 EHAF CCc1nnc2c3ccccc3nc(Nc3cc(OC)cc(OC)c3)n12 20178102 DYRKACQGINEREG-UHFFFAOYSA-N 349.394 3.601 0 1 EHAF COc1ccc2cc(CC[C@@H](C)[C@@H]3SC(=O)NC3=O)ccc2c1 26656262 LTWRJTXVTNEKPC-BZNIZROVSA-N 329.421 3.769 0 1 EHAF Cc1cc(-c2ccc(F)cc2)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1 27655492 ANOPSFFNQJWFSF-NXVGNOFTSA-N 341.382 3.584 0 1 EHAF COc1ccc2c(c1)[C@@]13CCN(CC4CC4)[C@@H](C2)[C@H]1[C@H](C)CC(=O)C3 29480260 GFZHKWGREZBWQT-HIAIUQMRSA-N 339.479 3.589 0 1 EHAF CO[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 40953767 NHVGXRUGDHMMSO-GOSISDBHSA-N 329.465 3.785 0 1 EHAF Cc1ccc(-c2cccc3cnc(NC4CCC(O)CC4)nc23)cn1 71296485 GGSIOFMZSJTMMB-UHFFFAOYSA-N 334.423 3.716 0 1 EHAF CCOC(=O)c1nn(C(=O)c2ccccc2Cl)c2ccccc12 72177713 FWYFBLUJOXXZRL-UHFFFAOYSA-N 328.755 3.555 0 1 EHAF CSc1nc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1 95604993 DGVMYPWWHNIECE-UHFFFAOYSA-N 344.461 3.869 0 1 EHAF COc1cc2cc(c1O)-c1cc(ccc1O)CC[C@@H](O)CCCC2 96085498 AVDQDLSGSIPLPN-HNNXBMFYSA-N 328.408 3.793 0 1 EHAF in-vitro CC[C@@]1(C(=O)NCCc2cnc(Cl)s2)[C@H](C)C1(Cl)Cl 103296429 BQRCCTFLOJUJJL-CPCISQLKSA-N 341.691 3.675 0 1 EHAF Cc1cccc(F)c1N1C[C@H](C(=O)Nc2cccc(Cl)c2)CC1=O 205766115 UNLPOMAEVBVRJD-GFCCVEGCSA-N 346.789 3.779 0 1 EHAF O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCc2ncsc21 220861144 QOYIRVIYNIXXIM-JTQLQIEISA-N 327.236 3.796 0 1 EHAF Cc1cc(-c2ccc(C(=O)O)cc2)nc([C@H]2CCCN(C(C)C)C2)n1 299850810 GOAOXOWRJXCDTK-KRWDZBQOSA-N 339.439 3.738 0 1 EHAF Cc1ccc(NC(=O)c2c(NO)cc(-c3cccs3)oc2=O)cc1 473154230 FLQPVHHSVXSNBW-UHFFFAOYSA-N 342.376 3.730 0 1 EHAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Br)ncc3[nH]2)cc1 586891774 VOCXFTKYXDKPFE-BONVTDFDSA-N 346.228 3.866 0 1 EHAF CC[C@H]1OCCC[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586910712 JNWWGMMYAOFAGY-NKWVEPMBSA-N 334.729 3.649 0 1 EHAF O=C1c2ccccc2-c2cc([C@@H]3CCCCN3)nc3ccc(O)c1c23 586989812 RAENFQOWSAOKQD-HNNXBMFYSA-N 330.387 3.966 0 1 EHAF Fc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1F 587075329 GISOKRIXWFTXSP-UHFFFAOYSA-N 331.713 3.742 0 1 EHAF CC(=O)NC1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCC(C)CC1 587234135 GZFMXAKBKGWEBE-UHFFFAOYSA-N 341.242 3.806 0 1 EHAF N[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587334446 JNJNMGFVSQGNSV-LXGCGDOSSA-N 341.382 3.530 0 1 EHAF C[C@@H]1CCC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356828 SAAGEMGCENFADT-RTXGADQUSA-N 340.350 3.628 0 1 EHAF COc1cc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587377628 XFNDXFBGOMGOAU-HNNXBMFYSA-N 347.798 3.954 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-n1ccnc1C)O2 587389016 DBPNKWBLGKWVIG-LJQANCHMSA-N 333.391 3.778 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3ccnc3)cc1)O2 587389697 IKQQVTGFNOJGLG-HXUWFJFHSA-N 333.391 3.644 0 1 EHAF COc1cc2c3c(c1)O[C@](CSC)(c1ccccc1)[C@@H](C2)C3=O 587449476 OXFWHIAJQMFWSQ-HNAYVOBHSA-N 326.417 3.701 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@@H](CC)CCC(=O)OC)CC2=O 587476437 COVMHOXLKXRVNC-SJCJKPOMSA-N 334.412 3.658 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C)CCOCC2)N1 587834952 NLMAJJOFVJRGOQ-BMIGLBTASA-N 342.252 3.980 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCSCC2)N1 587858809 UNOHYVPANZNAKM-SECBINFHSA-N 330.266 3.845 0 1 EHAF Cc1cc2c(cc1F)[C@@]1(NCC2)c2ccccc2C(=O)c2cnccc21 962375511 NREIFSLJXWLROJ-JOCHJYFZSA-N 344.389 3.511 0 1 EHAF C[C@]1(c2ccc3cc(O)ccc3c2)NCCc2c(C(=O)O)cccc21 963125819 UZBVGPHSYKDCFS-OAQYLSRUSA-N 333.387 3.653 0 1 EHAF COc1ccc2c(c1)CCN1C[C@H]2O[C@H]1[C@H](F)CCc1ccccc1 1857587093 PPEZGVNEPSXGQA-NJYVYQBISA-N 341.426 3.922 0 1 EHAF COc1ccc2c(c1)CCN(CCCCc1cccs1)C[C@@H]2O 1857599975 NZVPKULKIVXSNV-IBGZPJMESA-N 331.481 3.671 0 1 EHAF C=C1OC(=O)C=C1Cc1ccc(NC(=O)Cc2ccc(C)cc2)cc1 1857744286 IUKHZQGPFUXAIA-UHFFFAOYSA-N 333.387 3.716 0 1 EHAF CN(C)C=C(NC(=O)Nc1ccccc1C(F)(F)F)C(F)(F)F 2356371256 HYTLKBGMHRHLFJ-UHFFFAOYSA-N 341.255 3.792 0 1 EHAF CC[C@H](O)CCCCCC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1C 2356788730 CJSSSEJSBABUJE-ANULTFPQSA-N 333.516 3.774 0 1 EHAF O=C(Nc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)N1CCCCC1 3742105 HYDMHCCEMFFYQZ-LJQANCHMSA-N 338.407 3.581 0 3 EHAF C[C@]12C=C[C@H](O)CC1=CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 254044043 AUOZSTYQILOQPO-SFUSBHMVSA-N 330.468 3.829 0 3 EHAF CN(C)C[C@H]1C[C@@H]2c3cc(F)ccc3Cc3ccc(F)cc3N2O1 3965841 GEDGEGJCGBTAON-VQIMIIECSA-N 330.378 3.682 0 1 EHAF CC(C)Oc1ccc(Oc2ccc(CC[C@@H](C)NC=O)cc2)cn1 66258588 PTOSUWZZOPTDOD-OAHLLOKOSA-N 328.412 3.728 0 1 EHAF CSc1cc2n(c1C(=O)c1ccc(C3CC3)cc1)CC[C@H]2C(=O)O 28225788 AOZFSANDLHHWLJ-CQSZACIVSA-N 341.432 3.890 0 1 EHAF COC(=O)[C@]1(O)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@H]12 2356531047 OUXSWZRXEDQYNX-SXLOBPIMSA-N 328.408 3.649 0 1 EHAF CC[C@@H](C)CNC=C1N=C(c2ccc(Br)[nH]2)C=C1OC 2356554975 DTZLODQOLXOKTM-SNVBAGLBSA-N 338.249 3.587 0 1 EHAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccccn4)cc3)[nH]c2c1 64528467 LELDXIXNROTYAC-UHFFFAOYSA-N 349.415 3.695 0 1 EHAF Cc1cc(F)cc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 28884308 WNYAEOYJQAUSPV-UHFFFAOYSA-N 349.361 3.832 0 1 EHAF CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@H]2O 2356576339 WTPQRFSKUFBXKY-BOSXTWCSSA-N 330.424 3.552 0 1 EHAF C[C@@H]1CC[C@]2(C)[C@H](CC[C@H](O)[C@]2(C)O)[C@]1(C)C[C@@H](O)c1ccoc1 2356734244 ZOVNGEHLBNZAPT-VEHDAFPHSA-N 336.472 3.668 0 1 EHAF O=C(CCc1ccc(-c2ccccc2)cc1)NC1=C(C(=O)O)CCC1 34852990 IATUECUDFVPEHT-UHFFFAOYSA-N 335.403 3.925 0 1 EHAF CC[C@@H](O)COc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2 73222743 PZONYCWNCPPYJG-GOSISDBHSA-N 345.483 3.548 0 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COc1c(O)c(/C=C/Cc2ccccc2)c(OC)c(OC)c1OC 238769026 IHWNGWBUZVFFLB-XYOKQWHBSA-N 330.380 3.683 0 1 EHAF C[C@@]12O[C@@H]1CC[C@@H]1[C@@](C)(CC(=O)c3ccoc3)[C@H](C(=O)O)CC[C@]12C 238748565 XWTXNZDOJIQFPB-WBHOZWEQSA-N 346.423 3.927 0 1 EHAF CCC(=O)N1[C@H]2CC[C@@H]1[C@H]1CC[C@@H]2N1C/C=C/c1cccc(Cl)c1 96299325 SQOZVRAOJBSOCO-ONMTYDCJSA-N 344.886 3.969 0 1 EHAF C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCCC(=C23)[C@@]12C[C@@H](c1ccoc1)OC2=O 238759895 FEOANYGAJPRFDP-YPYHOGKESA-N 342.391 3.706 0 1 EHAF CC(=O)Oc1cc(-c2c(C)noc2C)cc([C@H](O)c2ccccc2)c1 95587756 BLNKHZBHJDYSGF-HXUWFJFHSA-N 337.375 3.965 0 1 EHAF in-vitro CC(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810250 CFYZLZHDDZJYJJ-QFYYESIMSA-N 342.252 3.953 0 1 EHAF CCOc1cc(OC)ccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400843 RVXHMXBXNOZZHO-HXUWFJFHSA-N 341.407 3.865 0 1 EHAF Cc1ccc(NC(=O)CSCCc2nc3ccccc3[nH]2)cc1 586970692 OEJGFZLBPIFDAV-UHFFFAOYSA-N 325.437 3.786 0 1 EHAF COc1cc(F)ccc1-c1cccc(Cc2nc3cnncc3[nH]2)c1 587159244 OCNSDNVFTWMKFT-UHFFFAOYSA-N 334.354 3.758 0 1 EHAF O=C(/C=C/c1nc2cnc3ccccc3c2[nH]1)Nc1ccc(F)cc1 587167542 UQWCNSLDLQVFCD-MDZDMXLPSA-N 332.338 3.902 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cnn(C(C)(C)C)c1C)[C@@H](C2)C3=O 587429646 AEDUKISMVRAHKN-XOBRGWDASA-N 340.423 3.618 0 1 EHAF Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2C 587518685 NEWVBMDYZZCMFO-QFIPXVFZSA-N 347.414 3.711 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@@H]3CCC[C@H](C)C3)CC1)O2 587392586 BZOUFARKCQMUTJ-GOEBONIOSA-N 342.483 3.956 0 1 EHAF CC(=O)Nc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1 587212398 HVSLIIFMAAGJEA-UHFFFAOYSA-N 346.386 3.586 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(SCC)n1C)CC2=O 587490497 GWZNLRQJXQTBQK-INIZCTEOSA-N 346.452 3.897 0 1 EHAF Fc1cnc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c1 587092164 SHCNVLIJFLQJOM-UHFFFAOYSA-N 328.294 3.813 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(S)[nH]c4ccccc14)[C@@H](C2)C3=O 587452119 MBKCTVWJCQSPOZ-SGTLLEGYSA-N 337.400 3.954 0 1 EHAF Brc1cc2nc(C3=COCC3)[nH]c2cc1Br 586912638 JGUWVJYKYKPUJW-UHFFFAOYSA-N 344.006 3.849 0 1 EHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(F)cc(F)c2[nH]1 586882388 QUDZZMAKNILAIO-UHFFFAOYSA-N 328.318 3.770 0 1 EHAF O=C(O)c1cccnc1SCc1nc2cc(Cl)c(F)cc2[nH]1 586966637 HEWLGUVXZMIHNE-UHFFFAOYSA-N 337.763 3.741 0 1 EHAF O=C(c1ccc2nccnc2c1)n1nc2cc1Oc1ccc(F)cc1-2 587874251 ZKDPCWKMRILITC-UHFFFAOYSA-N 332.294 3.427 0 1 EHAF N[C@]1(c2nc3ccc(Br)cc3[nH]2)C[C@@H]1c1ccccc1F 587157885 VFJWEQCAEDDKDH-BDJLRTHQSA-N 346.203 3.806 0 1 EHAF Cc1sc2c(c1C)CCN[C@]2(CC1OCCO1)c1ccccc1F 963004381 CHPFTESJPJZBFO-LJQANCHMSA-N 347.455 3.656 0 1 EHAF CCc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)no1 11934289 QRABBZQNRIHBOV-CYBMUJFWSA-N 346.814 3.626 0 3 EHAF COc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12 13581092 PDGNKMACWXAEOS-UHFFFAOYSA-N 328.387 3.527 0 1 EHAF Cc1nccn1C[C@@H]1CCc2c(c3cccc4c3n2CCCC4)C1=O 13834028 MZDTWMVPTDBLAX-INIZCTEOSA-N 333.435 3.928 0 1 EHAF O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1)c1ccc(F)cc1 169350872 HFJYJJSTNVDFCB-RBUKOAKNSA-N 344.405 3.796 0 1 EHAF Cc1cc(NS(=O)(=O)c2ccccc2)c2ncccc2c1Cl 201606819 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CCN(CC)Cc1ccc([C@H](c2ccccc2)N2CCNCC2)cc1 22939701 LKBPJFREZQNIIF-QFIPXVFZSA-N 337.511 3.523 0 1 EHAF c1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCCCC1 103298403 SFVHTVVEESARSS-UHFFFAOYSA-N 341.543 3.780 0 1 EHAF Cc1ncc2cc(-c3cccc(Br)c3C)c(N)nc2n1 27303855 WEBRYMLJCNSEBS-UHFFFAOYSA-N 329.201 3.653 0 1 EHAF CC(C)CCC(=O)[C@H](C)CCC[C@]1(C)OC[C@@H](CCO)CC[C@H]1O 27887225 BXKQYIKPTRBPOZ-LFGUQSLTSA-N 342.520 3.727 0 1 EHAF CCN(CC)CCC[C@H](C)NCc1coc(-c2ccc(OC)cc2)n1 72185258 DOVDAQGJGVSJMH-INIZCTEOSA-N 345.487 3.950 0 1 EHAF Cc1ccc(CNc2ccc3ncc(Br)n3n2)c(C)c1 74387979 VBCKRAZYFFJUJY-UHFFFAOYSA-N 331.217 3.721 0 3 EHAF CO/C=C/[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]12 34799643 OTRGSZVOULSZGL-TXXPUXILSA-N 332.484 3.811 0 1 EHAF COc1cc(C(=O)n2ccc3cc(C)ccc32)cc(OC)c1OC 38883074 NIYIEKGGPBHIQK-UHFFFAOYSA-N 325.364 3.664 0 1 EHAF CC(=O)c1cn(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 49036417 KCOUPFLSOSTNNO-UHFFFAOYSA-N 333.796 3.734 0 1 EHAF O=C(Nc1cc(C(F)(F)F)no1)NC12CC3CC(CC(C3)C1)C2 96271178 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346.184 3.581 0 1 EHAF Oc1nc(O)c2ccc(-c3ccccc3CCC(F)(F)F)nc2n1 587369303 ZNURFGBMPXNSBK-UHFFFAOYSA-N 335.285 3.598 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNc3cc(Cl)ccc31)O2 587380850 XKCWKALGZJVEQZ-SFHVURJKSA-N 328.799 3.907 0 1 EHAF COCCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789523 CLARAQLYKXRFQQ-ZUZCIYMTSA-N 330.241 3.764 0 1 EHAF COC(=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2n1 587084603 DEDNYCXWPHPTKO-UHFFFAOYSA-N 338.754 3.613 0 1 EHAF O=Cc1ccc(OCc2occc2-c2nc3ccc(O)cc3[nH]2)cc1 586900445 JYHYOCUXHXUNRB-UHFFFAOYSA-N 334.331 3.920 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(N(C)C)s1)CC2=O 587495452 ONFPIBNMWOYVST-CQSZACIVSA-N 332.425 3.574 0 1 EHAF OCc1ccccc1-c1cccc(-c2nc3c(Cl)ncnc3[nH]2)c1 586894992 JYFZXNQAGGRKRK-UHFFFAOYSA-N 336.782 3.833 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C=O)o3)o1)O2 587415018 XRIWFKIQVPNQMA-GOSISDBHSA-N 337.331 3.949 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(C)cc1)[C@@H](C2)C3=O 587438430 FNJAMHNUGMNTOL-YCRPNKLZSA-N 346.386 3.882 0 1 EHAF C[C@]1(c2cn[nH]c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349282 UHHRYSSKJUKBCP-IEBWSBKVSA-N 338.338 3.529 0 1 EHAF COc1ccc(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(F)c1 587149333 QRPGISBZDGCVAT-UHFFFAOYSA-N 336.269 3.623 0 1 EHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(O)c2[nH]1)C(C)(C)C 587205016 NBOBXAVFNLSLEW-CYBMUJFWSA-N 333.432 3.750 0 1 EHAF Fc1ccc(-c2nc3c(Cl)cncc3[nH]2)nc1Br 587154564 AZSMTVWNNFVOQJ-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF CC[C@@]1(c2ccnn2C)c2ccsc2CCN1Cc1ccco1 962715719 XLBAXEKPSICZSD-SFHVURJKSA-N 327.453 3.787 0 1 EHAF COC[C@H](C)[C@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN12 962646647 VDDCSZUVROFVAM-WEYGHZABSA-N 336.479 3.757 0 1 EHAF CCOc1ccc([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963609224 MWTKCCJKIOQLKG-RNODOKPDSA-N 327.424 3.726 0 1 EHAF O=C(Nc1ccc(NC(=O)c2ccc(O)cc2)cc1)c1ccc(O)cc1 5569534 GNWILHBENZVGKQ-UHFFFAOYSA-N 348.358 3.602 0 1 EHAF COc1c(C(=O)CCc2ccccc2)c(O)c(OC)c2occc12 13560649 YWLXLGYDCWALHP-UHFFFAOYSA-N 326.348 3.971 0 1 EHAF NC1=N[C@@H](CCc2ccc(Nc3ccc(Cl)cc3F)cc2)CO1 169701153 NVLRFGHSXUKFLD-AWEZNQCLSA-N 333.794 3.869 0 1 EHAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1733801 HHUZGDMRRLQZIQ-OGFJIONKSA-N 334.500 3.566 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ccncc2)/C1=C(\O)OC(C)(C)C 27561555 RFNWUCHLSFDAIQ-LBFFYKKLSA-N 331.372 3.733 0 1 EHAF O=C(c1ccc2c(n1)N=CC2)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 100620829 NQVOFZRVSLCHHE-MJGOQNOKSA-N 331.419 3.675 0 1 EHAF CC1(C)COC(Cc2ccc3c(c2)C(=O)c2sccc2CO3)=N1 27210262 XSTFNEZQEMXGIC-UHFFFAOYSA-N 327.405 3.621 0 1 EHAF CC1=C[C@]2(CC[C@@H](C)C[C@@H]2C(=O)NCc2ccc(Cl)cc2)OC1=O 20676851 VNXDSBYOCABWNX-FXHACXQTSA-N 347.842 3.634 0 1 EHAF CC(=O)Nc1cccc(-c2csc([C@H](O)c3ccc(F)cc3)n2)c1 61896242 LKTXLLYRJUZEIN-QGZVFWFLSA-N 342.395 3.989 0 3 EHAF O=C(Nc1ccc(CC[C@@H]2CCCNC2)cc1)c1ncc(F)cc1F 117714896 UGXNRQIVFRBHEO-AWEZNQCLSA-N 345.393 3.544 0 1 EHAF CCC(=O)N(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[C@H]1N(C)C 28237887 JPHNQGBDWVDAIV-HUUCEWRRSA-N 328.378 3.931 0 1 EHAF COc1cc2c(c(OC)c1O)C[C@H]1[C@H](C2=O)c2ccccc2C1(C)C 13383518 XIHRWFBCNJIXNK-DOTOQJQBSA-N 338.403 3.839 0 1 EHAF biogenic CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC[C@@H]3C)ncc2C)C1 82202467 GNYIQFMKIVKSSX-NXOAAHMSSA-N 332.492 3.779 0 1 EHAF Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C)cc1CN1CCOCC1 45291462 DJDCZALMEJMMLS-QFBILLFUSA-N 330.472 3.592 0 1 EHAF COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccco2)n1 82166296 LIDZBCACCJMJFL-UHFFFAOYSA-N 330.413 3.535 0 1 EHAF O=c1[nH]c2ccccc2n2c(-c3cccnc3)nc(-c3ccccc3)c12 96913546 ADRRDUHOQIJADZ-UHFFFAOYSA-N 338.370 3.905 0 1 EHAF CCCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1OC 238755534 MOQVDNNZKAXGQZ-KRWDZBQOSA-N 328.364 3.765 0 1 EHAF O=C1Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc2C1 96169280 AIURBXRQZREDCO-YADHBBJMSA-N 345.442 3.689 0 1 EHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(OC)cc2[nH]1 586963678 QELIBJUNPDZLCW-ZDUSSCGKSA-N 330.413 3.619 0 1 EHAF C[C@@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580158 QZJTZAGLKNGKDS-RXVVDRJESA-N 347.370 3.851 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(C)ncc31)CC2=O 587491105 SDWYGJGPHAEMDE-FQEVSTJZSA-N 338.407 3.640 0 1 EHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(C(=O)C(F)F)c2c1 587650451 WKOQGGNIACHNGV-UHFFFAOYSA-N 349.358 3.686 0 1 EHAF Cc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1C 587008107 HJPWVWNLNNNKRF-UHFFFAOYSA-N 342.200 3.652 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cnn1CC)CC2=O 587459928 FAUOWMWPAFRWAH-HNNXBMFYSA-N 334.803 3.921 0 1 EHAF O=C(O)/C=C\c1ccccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586880204 OROUYHFBNSNCDM-WAYWQWQTSA-N 344.273 3.649 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]c3nccc(Cl)c13)O2 587379633 JTTOMHAZULAEMF-SFHVURJKSA-N 341.798 3.988 0 1 EHAF COC(=O)C1=Cc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O 587107083 NUCLBHYSZYZXMT-UHFFFAOYSA-N 341.366 3.949 0 1 EHAF CNc1ccc([C@H]2CCN3Cc4ccccc4N=C23)cc1C(=O)OC 13361022 UYHHGHQLVKQIQK-OAHLLOKOSA-N 335.407 3.548 0 1 EHAF biogenic,in-vitro CCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCc1ccccc1-2 13494153 UOIQMQBKLGFZQA-UHFFFAOYSA-N 348.446 3.942 0 1 EHAF Cc1ccc(CNc2nccn(-c3ccc(F)c(Cl)c3)c2=O)cc1 15732415 VZVIJPWEDBNGRA-UHFFFAOYSA-N 343.789 3.946 0 1 EHAF CCC[C@H]1C(=O)NN=C(c2ccc3nc(-c4ccco4)oc3c2)[C@@H]1C 169040715 HZQNMEWBBNIGTB-DGCLKSJQSA-N 337.379 3.974 0 1 EHAF CC/C=C\C/C=C\C[C@H](O)[C@H](O)/C=C/[C@@H]1C/C=C/CCCC(=O)O1 169293431 OIBRTSVGCWTYLU-IGACFYDGSA-N 334.456 3.609 0 1 EHAF CCOc1c(-c2ccc3c(c2)OCO3)oc2cc(OC)ccc2c1=O 1857547627 VHKKDKHDAUNDJB-UHFFFAOYSA-N 340.331 3.596 0 1 EHAF COc1cccc(-c2nc3ccc(NC(=O)CC(C)(C)C)cn3n2)c1 1857591334 ULDLMPKZAMBESI-UHFFFAOYSA-N 338.411 3.780 0 1 EHAF COc1ccccc1-c1nc(C)c(COc2ccccc2C(=O)O)o1 1857647253 BQNCBDJCTMMQQF-UHFFFAOYSA-N 339.347 3.936 0 1 EHAF CC1=CCC2(C(=O)OC(C)(C)OC2=O)[C@H](c2ccc(Cl)cc2)C1 1093200 SZIWSAYMSDSKDS-AWEZNQCLSA-N 334.799 3.986 0 1 EHAF C[C@@H](C=C[C@@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(O)CC[C@]21C)C(C)(C)O 2356391174 SHUNDKCHHXBLQQ-ZNSPSMSPSA-N 348.483 3.584 0 1 EHAF CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]1C 4134227 XSTZSCYENOCESX-JFTQMJAMSA-N 328.456 3.677 0 1 EHAF NC(=O)c1cccc(C[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 101363737 SKQZYGXREOYGMD-ZKTXZKFHSA-N 334.463 3.771 0 1 EHAF CC(=O)Nc1nc2ccc(Nc3ccccc3C(=O)O)cc2s1 58569010 KCOSGRQJQUSXFG-UHFFFAOYSA-N 327.365 3.697 0 1 EHAF Cc1ccc(NC(=O)Nc2ncnc3c2nc(-c2ccco2)n3C)cc1 103272045 CSLLNGSZGCWLDE-UHFFFAOYSA-N 348.366 3.576 0 1 EHAF CC[C@H](C)Sc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1 104088404 VMYMQMWXPICLPR-LBPRGKRZSA-N 328.441 3.568 0 3 EHAF CC(C)Cc1ccc(S(=O)(=O)Nc2noc3ccccc23)cc1 20442822 KDXSRCDJADGMBE-UHFFFAOYSA-N 330.409 3.827 0 1 EHAF CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3ccsc32)C1(C)C 29485172 WIVKIBWBECIUDK-HOTGVXAUSA-N 330.473 3.879 0 1 EHAF O=C(O)c1ccc2nc(N3CCCCC3)c(-c3ccccc3)nc2c1 116232553 VBOLZYIAZQWHMQ-UHFFFAOYSA-N 333.391 3.985 0 1 EHAF CCOC(=O)Cc1ccc(Nc2nc(NC)nc3ccsc23)cc1 61895350 YPZUZIFJEMUPLR-UHFFFAOYSA-N 342.424 3.582 0 3 EHAF CC(C)CC(=O)OC[C@]1(C)C=Cc2c(ccc3ccc(=O)oc23)O1 14696938 ONHZLVDNABLAEK-IBGZPJMESA-N 328.364 3.547 0 1 EHAF biogenic FC(F)(F)CN(Cc1ccccc1C(F)(F)F)C1CCNCC1 36093164 NHVHPBDEUUHKNU-UHFFFAOYSA-N 340.311 3.822 0 1 EHAF CC(C)(O)c1cc2c(cc1O)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2 13480862 HEIKHXMGSYQVGA-LSTHTHJFSA-N 332.440 3.715 0 1 EHAF biogenic CN(C)Cc1nc(O)c2sc3ccc(-c4cccnc4)cc3c2n1 45289455 ZPMOHPZPZFESPN-UHFFFAOYSA-N 336.420 3.674 0 1 EHAF C[C@@]1(c2cccc(Nc3ccccc3OC(F)F)c2)COCC(N)=N1 143057120 IIOABHPKSLIUSW-SFHVURJKSA-N 347.365 3.634 0 1 EHAF O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1CC1CCCCC1 95560061 ZTFSPYMLFUXOHH-UHFFFAOYSA-N 348.446 3.792 0 1 EHAF COC(=O)C1=C[C@]23C[C@@H](C)CC[C@@H]2[C@@]2(C)CC[C@H](C(C)C)[C@@](O)(O3)[C@@H]12 140380070 CWSSNRJGRZWATA-XWRYEVJRSA-N 348.483 3.682 0 1 EHAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cccc(C(F)(F)F)c2[nH]1 587093415 DREITIFBIHTGQL-LURJTMIESA-N 339.239 3.711 0 1 EHAF CCCn1cc(Cl)c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)n1 587874340 VZTLCLDZWCHDSO-UHFFFAOYSA-N 346.749 3.743 0 1 EHAF CC(C)(SCC(=O)O)c1nc2cc(Br)c(F)cc2[nH]1 586957988 BWWSCRFSVSNIBD-UHFFFAOYSA-N 347.209 3.517 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ncccn3)cc1)O2 587394521 WWLJFCLYGQEOKO-SFHVURJKSA-N 331.375 3.741 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(C)(C)O)cc1)[C@@H](C2)C3=O 587453594 ZOFYJLZGPOCCMU-KKSFZXQISA-N 338.403 3.585 0 1 EHAF CC[C@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354240 PZGTXYJXJLCVED-IEBWSBKVSA-N 344.338 3.514 0 1 EHAF CN1CCN(c2ccc3nc(C[C@@H]4C[C@H]4c4ccccc4)[nH]c3c2)CC1 587961512 RRWWSRWTMZUNEZ-HKUYNNGSSA-N 346.478 3.661 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1C(=O)OCC)CC2=O 587479272 MLVSODFEHGNENA-MGPUTAFESA-N 346.423 3.802 0 1 EHAF Cc1nccc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc12 587200960 CGPOQBPAFCMNHA-UHFFFAOYSA-N 332.448 3.847 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1n[nH]c3ccccc13)O2 587396371 JWDYCDYHOKXECU-FQEVSTJZSA-N 335.407 3.810 0 1 EHAF FC(F)Oc1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 587130705 OSNSZSOBZXSSGM-UHFFFAOYSA-N 330.216 3.640 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCC1CC1)[C@@H](C2)C3=O 587445452 ZFNLBAZBJWVFKH-HRAATJIYSA-N 336.387 3.973 0 1 EHAF CCc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1Cl 587369115 VMJVVKMLUQCUMD-UHFFFAOYSA-N 336.178 3.972 0 1 EHAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1O 587587505 NAMICUQBFVEWRA-LPHOPBHVSA-N 349.342 3.504 0 1 EHAF O=C(O)c1cc(F)cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587152075 JRZXFTIHJOIDGN-NXEZZACHSA-N 332.281 3.950 0 1 EHAF Oc1nc(O)c2ccc(-c3ccc(C(F)(F)F)cc3Cl)nc2n1 587368235 KVGMDEINCJUMAA-UHFFFAOYSA-N 341.676 3.775 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C(C)=O)(c1ccc(F)cc1)CC2=O 587468430 VCRYSQWHNCQQJK-FQEVSTJZSA-N 342.366 3.934 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc3c2C(=O)NC3)N1 962947125 NEOWJZMCJHXXFG-FPTDNZKUSA-N 345.446 3.599 0 1 EHAF COC[C@@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961786717 PZJFHXCMJAKUKU-FQEVSTJZSA-N 346.471 3.700 0 1 EHAF Cc1cc2c(c(O)n1)C(=O)O/C2=C/c1cc(Br)cs1 1857768037 OVVPMEBSTYXWBJ-ONNFQVAWSA-N 338.182 3.588 0 1 EHAF C[S@](=O)CCCCNC(=S)SCc1ccc(Cl)cc1 1857773858 PGDNFGNTOXLFAW-IBGZPJMESA-N 335.947 3.606 0 1 EHAF Cc1ccc([C@H]2S[C@H](C)C(=O)Nc3cc4c(cc32)OCO4)cc1 1772647641 YPZHHKSPKYTTJY-PIGZYNQJSA-N 327.405 3.887 0 1 EHAF C[C@@]1(c2nnc(-c3ccc(Cl)cc3)o2)CC(c2cccnc2)=NO1 12726798 VRTQOMLQULHOFM-KRWDZBQOSA-N 340.770 3.825 0 3 EHAF NCCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 13646301 GTIQUXGQYVTWOG-UHFFFAOYSA-N 330.391 3.927 0 1 EHAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N(C)C 4295643 QCTGOOPKPYSFQZ-MSOLQXFVSA-N 332.444 3.797 0 1 EHAF NC(=O)n1ccc2ccc(-c3ccc(CN4CCCCC4)cc3)nc21 103236255 HIBOPBGHLVWFCH-UHFFFAOYSA-N 334.423 3.616 0 1 EHAF Cc1ccc(C2=CCc3ccccc3N=C2N2CCN(C)CC2)cc1 101752141 JTLPFCAAFAPTQH-UHFFFAOYSA-N 331.463 3.912 0 1 EHAF C[C@]1(CCc2ccoc2)[C@H](CO)CC[C@]23COC(=O)C2=CCC[C@@H]31 2356543228 IUUPLAKTJXUQFN-RKOGWWSCSA-N 330.424 3.500 0 1 EHAF CC1=CCC[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@H](C)C[C@H](O)[C@@]13CO4 2356582714 UQXIOGAOBOQKTA-LODQPUINSA-N 330.424 3.755 0 1 EHAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H]2OC(=O)CCCC=CC[C@H]12 2356623661 ZVWMOTMHZYWJPF-NTZUZEMLSA-N 336.472 3.523 0 1 EHAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1CC(=O)[C@@]3(C)CC[C@]12C3 40411884 SZHDVQMEAOBEEE-LNDBJABFSA-N 348.483 3.502 0 1 EHAF Cc1ccc(-c2cc(=O)n(C[C@@H]3CCCNC3)c3ccccc23)cc1 95587900 FJCOVBOBUYSQLW-QGZVFWFLSA-N 332.447 3.977 0 1 EHAF CN(C)[C@H]1C[C@H](c2c[nH]c3ccc(C(=O)NCc4ccccc4)cc32)C1 253663233 GCMJIDLORVWRLW-IYARVYRRSA-N 347.462 3.906 0 1 EHAF COc1cc(-c2nnc3ccc(-c4cccc(F)c4)cn23)ccc1O 653686924 NFAYVGTVLRGRMV-UHFFFAOYSA-N 335.338 3.917 0 1 EHAF C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587351138 GDZBDGFWCXMEEP-CGQHOMIXSA-N 340.350 3.628 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COC2(C)C)N1 587829758 CGTKMUAZQAYVHW-VFZGTOFNSA-N 326.209 3.640 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncs2)N1 587854119 QAUSRUXSXWVZQE-CLAHSXSESA-N 341.249 3.842 0 1 EHAF COC(=O)c1ccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2c1 587027888 IQYYHAVVWMQKHY-UHFFFAOYSA-N 338.392 3.777 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cncnc3)cc1)O2 587394355 FKARBLBEILDUOX-LJQANCHMSA-N 331.375 3.741 0 1 EHAF COc1cc2c3c(c1)OC1(CC(c4ccccc4OC)C1)[C@@H](C2)C3=O 587444290 SWJOMEWHSLRCDW-ZRKSEFCZSA-N 336.387 3.768 0 1 EHAF O=S(=O)(Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C1CCCC1 586924028 FFMDBZLCNXSUTM-UHFFFAOYSA-N 333.240 3.727 0 1 EHAF NC(=O)c1cccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 586899459 XRINHUQHFLUGKN-UHFFFAOYSA-N 329.359 3.701 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C3CC3)n(C(C)C)n1)O2 587392960 YGWKGZAYMBHIIZ-SFHVURJKSA-N 325.412 3.939 0 1 EHAF CCCC(=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814181 RNUUVMBUFIHZJO-PSLIRLAXSA-N 328.225 3.707 0 1 EHAF Cc1c(-c2c(F)ccc(F)c2F)[nH]c2ccc(S(C)(=O)=O)cc12 587650578 ZVEBTXZAPGIGSW-UHFFFAOYSA-N 339.338 3.964 0 1 EHAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccnc(Cl)c2[nH]1 587038602 AFBPUZWFTPIKOX-VIFPVBQESA-N 340.836 3.594 0 1 EHAF COc1cccc(OCc2ccc(-c3nc4c[nH]c(=N)cc4[nH]3)cc2)c1 587781343 IFLUCRZNHHUHEF-UHFFFAOYSA-N 346.390 3.625 0 1 EHAF CC(=O)N[C@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586996876 QQQFAPSCTBCZPQ-GFCCVEGCSA-N 330.387 3.952 0 1 EHAF Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 587776073 WABLPOACCLOUHQ-JKYUHCHBSA-N 325.181 3.508 0 1 EHAF COc1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587004516 VRLJUEFCGVLAJR-UHFFFAOYSA-N 343.184 3.877 0 1 EHAF COc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1C 587156175 XWDQMAXHRUEULF-UHFFFAOYSA-N 336.164 3.844 0 1 EHAF COc1cccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1O 587787484 UNOSLQQNKCFFBK-UHFFFAOYSA-N 346.390 3.776 0 1 EHAF CN(C)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587104297 PSFHWRCWFHCBHM-ZDUSSCGKSA-N 328.415 3.865 0 1 EHAF CC(=O)C[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810249 CFYZLZHDDZJYJJ-MGPLVRAMSA-N 342.252 3.953 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C)O[C@H](C)C2)N1 587829234 BINQKQXWPVPMAH-DJQAVVSRSA-N 342.252 3.905 0 1 EHAF CC(C)COc1cccc(OCc2nc3cc4c(cc3[nH]2)OCO4)c1 587565967 NVLUJKYPLDFSOU-UHFFFAOYSA-N 340.379 3.905 0 1 EHAF CCC1(CC)OC[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1 587533733 UVGJIHPKCYGCKA-QZTJIDSGSA-N 330.424 3.831 0 1 EHAF Cc1ccc([C@H]2CCCN2CCCn2nnc(-c3ccccc3)n2)cc1 1857580458 FFUOIPUVVCQNCA-HXUWFJFHSA-N 347.466 3.876 0 1 EHAF Cc1cc(N)nc(CCc2cc(CC[C@H]3CCN3C)cc(F)c2F)c1 1857618196 STGWAFUVRUKRNW-KRWDZBQOSA-N 345.437 3.672 0 1 EHAF O=C(N=c1[nH][nH]c2ncc(-c3ccc(F)cc3)cc12)C1CCCCC1 1857763285 NNAQAMWKZGRMFH-UHFFFAOYSA-N 338.386 3.705 0 1 EHAF C[C@@H]1CC(=CC(=O)O)C2OC3(CC(=O)[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]13)O2 2356429821 IZFWOIUEWBPLPY-QBDJTVICSA-N 348.439 3.528 0 1 EHAF NC(=S)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccc(Cl)cc1 6576119 VUUOBSLBXXLNEM-WBVHZDCISA-N 341.867 3.907 0 1 EHAF COCn1c([C@](C)(O)C(F)(F)F)nc2cc(Cl)c(Cl)cc21 28817575 KZIAJOZBNJNOMM-NSHDSACASA-N 343.132 3.717 0 1 EHAF CCCNC(=O)[C@@]1(C)CCN(Cc2ccc(Cl)c(Cl)c2)C1 61897026 LYVJYIBNKSRYGX-INIZCTEOSA-N 329.271 3.732 0 3 EHAF O=C(O)c1ccc2sc(Cn3ccnc3)c(Br)c2c1 29398819 UQQJMHQQGOQHLX-UHFFFAOYSA-N 337.198 3.607 0 1 EHAF COc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 28642651 UCJIXVPTONWDEH-SFHVURJKSA-N 336.439 3.648 0 1 EHAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@H]1CCc1ccccc1 26745105 QDAZULNAIABWLW-IGGDJGDASA-N 343.423 3.963 0 1 EHAF COc1cccc([C@@H](O)c2nc(-c3ccc(N(C)C)cc3)cs2)c1 61902906 PGRQTCDVZDGLHU-GOSISDBHSA-N 340.448 3.966 0 3 EHAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1 2356552635 XWLRIWWRWZXNSY-IJEWVQPXSA-N 333.501 3.650 0 1 EHAF O=C1NCc2ccccc2OCCC/C=C\c2cncc3ccc1nc23 33817210 ASVDIATZMVBTPY-UQCOIBPSSA-N 345.402 3.746 0 1 EHAF CCOCc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)cc1 38317776 DEGNBKDJETUKJV-UHFFFAOYSA-N 342.420 3.577 0 1 EHAF COc1cc2c(cc1O)[C@H](c1ccc3c(c1)OCO3)[C@@H](C)[C@@H](C)C2=O 14726906 PJUJSNARYVMNSV-QQKBFRNYSA-N 340.375 3.730 0 1 EHAF biogenic Nc1ncc(-c2ccc(OC(F)(F)F)cc2)c(-c2ccccc2O)n1 40865678 IOZRTMSKGLTDCG-UHFFFAOYSA-N 347.296 3.997 0 1 EHAF COc1cc(Cl)ccc1O[C@H](c1ccc(C)cc1)[C@H]1CNCCO1 87723718 QQHREAWMTUYOBO-RTBURBONSA-N 347.842 3.766 0 1 EHAF in-vitro N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC(F)CC4)c23)c1F 224873659 AHNKWHJBFLDDJQ-UHFFFAOYSA-N 339.349 3.574 0 1 EHAF CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CC)CC)n1 82067048 XETAIDVBVGNZLR-CYBMUJFWSA-N 345.447 3.729 0 1 EHAF CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@H]2C1 238757085 HVYJQUZFHNFBAD-AYCDZVMBSA-N 332.440 3.953 0 1 EHAF COc1ccc([C@@H]2CCc3cc(OC)c(OC)cc3C2=O)c(OC)c1 299861003 HJYMNQBTQOZCOT-HNNXBMFYSA-N 342.391 3.634 0 1 EHAF CN1CC[C@H](C(=O)c2cncc(-c3ccc(Cl)cc3Cl)c2)C1=O 653717580 YNUSYDOIQWDZLI-CQSZACIVSA-N 349.217 3.716 0 1 EHAF FC(F)(F)c1cc(-c2nc3cccnc3[nH]2)c(Br)cn1 587116505 ZVYYYNHZNDZJEY-UHFFFAOYSA-N 343.106 3.801 0 1 EHAF Oc1nncc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587164120 OEHFUXCWFNMIMU-WQLSENKSSA-N 338.367 3.848 0 1 EHAF COc1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587156741 POVJRWBAXOUYPT-SFHVURJKSA-N 325.343 3.502 0 1 EHAF Clc1ccc(C2=C[C@H](c3nc4cncc(Cl)c4[nH]3)ON2)cc1 587075093 CHHZFABQYAOZGL-CYBMUJFWSA-N 333.178 3.882 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C2CC2)[nH]n1 587596317 QTUXJTHQSAVBSG-XLIONFOSSA-N 348.358 3.696 0 1 EHAF CCOC(=O)c1ccc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 586884925 BHYAFOJMZNYAIT-FZKQIMNGSA-N 338.407 3.885 0 1 EHAF CCOc1ccc(OCC)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 587778169 KNIMVWTYOGMBBH-UHFFFAOYSA-N 338.367 3.609 0 1 EHAF Cc1cnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 587003866 OSTAYJLCUJDKBK-UHFFFAOYSA-N 328.173 3.572 0 1 EHAF COc1ccc2c(c1)C[C@H](c1nc3cc(OC)cc(OC)c3[nH]1)CC2 587947225 TZRKKCOINOWIMR-CYBMUJFWSA-N 338.407 3.861 0 1 EHAF CC(=O)CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813942 QWCXMAGALYIPPI-RFAUZJTJSA-N 328.225 3.707 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](n3nc(C)cc3C)C1)O2 587391972 PTDKTHCQSDZHRA-MGPUTAFESA-N 339.439 3.910 0 1 EHAF C[C@@H]1O[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586917615 TXPHLBDJQJCFIQ-AJAUBTJJSA-N 337.095 3.684 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccnc4)o1)[C@@H](C2)C3=O 587436525 QDRXFZHIZBYAJQ-VBKZILBWSA-N 333.343 3.839 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccccc3)c1C)O2 587392893 WWAGXIWNGRDADT-NRFANRHFSA-N 347.418 3.952 0 1 EHAF CC[C@]1(c2ccc(CN)cc2)NCCc2cnc3c(OC)cccc3c21 963036914 PPBSYEPOEKZQFZ-JOCHJYFZSA-N 347.462 3.501 0 1 EHAF COc1ccc([C@@H]2C[C@@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1 1772633640 JKTGAMFHACPSFR-RSRPTUBKSA-N 336.403 3.589 0 1 EHAF CN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nc(N)nc(N)c2c1 13209472 XXVLFFLQJPHYNJ-UHFFFAOYSA-N 348.237 3.737 0 1 EHAF NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCCCC1CCCCC1 13662123 NITXILIYZADBDB-GOSISDBHSA-N 329.488 3.684 0 3 EHAF CC(=O)c1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 13779439 ZMQRHULNLRDMDR-UHFFFAOYSA-N 349.312 3.898 0 1 EHAF COc1ccc(CCC(=O)NC(=O)Nc2ccc(Cl)cc2)cc1 1857774128 NIFZLIDRYMJVRG-UHFFFAOYSA-N 332.787 3.630 0 1 EHAF C=C1C(=O)O[C@H]2C[C@@H]1C(=O)C[C@@H](C)CCCC(C)=CCC[C@@]2(C)O 254079909 URWWHNWSDGNIPC-PFSLXQJOSA-N 334.456 3.731 0 1 EHAF CN(Cc1ccco1)C(=O)c1nn(C)c2c1CSc1ccccc1-2 20485261 LBJOPEOKJCGLPB-UHFFFAOYSA-N 339.420 3.558 0 1 EHAF Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccnnc2)s1 28456219 ZWBMWMGIWHPPPH-UHFFFAOYSA-N 345.815 3.891 0 1 EHAF COc1ccc(C(=O)O)nc1-c1csc(Cc2ccccc2)n1 26265808 ILFWEVCRWDNARX-UHFFFAOYSA-N 326.377 3.503 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1[C@](C)(O)C[C@H](O)[C@H]2C(C)(C)CCC[C@]21C 2356624142 SJCQJLXYLFQJRA-NHQOTNMQSA-N 338.488 3.762 0 1 EHAF COc1cc(OC)c(-c2cnco2)cc1C/C=C(\C)CCC(=O)O 40980023 MBKPQEZSHVAZRO-UUILKARUSA-N 331.368 3.712 0 1 EHAF CCCCc1nc2nc(N(CC(C)C)CC(C)C)ccc2[nH]c1=O 82231731 GVIZJDJZQFENHW-UHFFFAOYSA-N 330.476 3.779 0 1 EHAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)C(=O)[C@H]2CC[C@@H]34)C1 45496493 YLAZTJOMKRZOCO-IRJMEDETSA-N 342.527 3.606 0 1 EHAF Nc1ccc(-c2cnn(-c3ccccc3-c3ccc(N)cc3)n2)cc1 473112724 GDDOZAMMMZXFDL-UHFFFAOYSA-N 327.391 3.766 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)nc1)O2 587374357 XGMXBPWGVPOPGX-INIZCTEOSA-N 347.212 3.615 0 1 EHAF O=Cc1ccc(OCc2occc2-c2nc3cccc(O)c3[nH]2)cc1 586901372 TXFFXVSNYMIJBH-UHFFFAOYSA-N 334.331 3.920 0 1 EHAF Cc1ncc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 586987973 JJLPKDRRUNQWBF-UHFFFAOYSA-N 339.354 3.917 0 1 EHAF FC(F)(F)CSc1cc(-c2nc3c(Cl)ncnc3[nH]2)ccn1 587090995 DMRQNKRFIWIPIY-UHFFFAOYSA-N 345.737 3.723 0 1 EHAF FC(F)(F)c1cncc(-c2nc3cc(Br)ncc3[nH]2)c1 587115622 SCRJQJKCOQBDHX-UHFFFAOYSA-N 343.106 3.801 0 1 EHAF CCC[C@@]1(c2cn(CC)nc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432099 NAIGKHXMCIEHND-FOIQADDNSA-N 340.423 3.663 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](c3ncccc3O)C1)O2 587393943 OKBZTEJNLVMUFI-ZUOKHONESA-N 338.407 3.740 0 1 EHAF Cc1coc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587589902 YPGMMCAAHKPCMR-KXBFYZLASA-N 337.331 3.566 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc4cc(F)ccc4n1)[C@@H](C2)C3=O 587426624 DOHLENVFUJQWPE-VBKZILBWSA-N 335.334 3.871 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)c(N)c1)CC2=O 587468331 WHWLCLDVZBDUTL-IBGZPJMESA-N 329.371 3.947 0 1 EHAF C[C@H](O)c1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535024 HGQQPFLEABRSOB-BONVTDFDSA-N 329.421 3.782 0 1 EHAF CC[C@H](C)Oc1ccc([C@@H]2NCCc3c(C)ccnc32)cc1OC 963070098 FCYQYQNZXXBJDH-LIRRHRJNSA-N 326.440 3.811 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)[C@H](C(=O)OC)C(F)(F)F 963228665 MKIPRXHWSKNXAW-PVUWLOKVSA-N 343.389 3.910 0 1 EHAF COc1cccc(C2=C[C@@H](c3ccc(Cl)cc3)NC(=S)N2)c1 1772641677 HVJVBTBJZIZXMG-HNNXBMFYSA-N 330.840 3.909 0 1 EHAF C[C@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2cccnc2)=NO1 12477426 BMROEZXHJZDRHL-QGZVFWFLSA-N 340.770 3.825 0 3 EHAF COC[C@]1(c2ccc(Cl)cc2)c2ccccc2C2=NCCCN21 13491088 MUEXSYLRFIXODP-IBGZPJMESA-N 326.827 3.696 0 1 EHAF CC1(C)CN(N2CCCC2=O)c2cc(Br)ccc2S1 13525437 FTGOFNYEKABOQF-UHFFFAOYSA-N 341.274 3.677 0 1 EHAF CC(=O)c1c(C(C)(C)C)[nH]c2c(S(C)(=O)=O)cc(Cl)cc12 169642163 VDDYUCRWIMXPAI-UHFFFAOYSA-N 327.833 3.725 0 1 EHAF CC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@H]21 200652340 WIPNMFLFZURMNZ-GIVJZPSRSA-N 344.451 3.975 0 1 EHAF Cc1ccc(NC(=O)[C@@]2(C)CCN2Cc2ccccc2Cl)cc1O 1857619150 IPKYDXBNKWNYGZ-LJQANCHMSA-N 344.842 3.957 0 1 EHAF CN(C)C(=O)c1ccc(-c2ccc3ncnc(NC4CC4)c3c2)cc1 4266130 AGIUXJHYRATCFR-UHFFFAOYSA-N 332.407 3.573 0 1 EHAF Cc1ccc2[nH]cc(CCNC[C@H](O)c3cccc(Cl)c3)c2c1 13488811 VRHUIBDSYGGKJC-IBGZPJMESA-N 328.843 3.995 0 1 EHAF COc1cc(Nc2ncc(-c3ccccc3)o2)ccc1-n1cncn1 13490422 IAWLYFOCBSNDJE-UHFFFAOYSA-N 333.351 3.675 0 1 EHAF Cc1ccc(C2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1 13802976 YRTKLZDQSKUCQM-UHFFFAOYSA-N 336.435 3.706 0 1 EHAF C[C@@H]1CC[C@]2(O)CC(C(=O)O)=CC=C[C@@H]2[C@@]1(C)CCc1ccoc1 14679538 NYKQUSBBQDKKGU-JBCDFXQESA-N 330.424 3.967 0 1 EHAF biogenic CC[C@@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)NC1CCCCC1 25430058 XOIADDPQMVOAEX-CVEARBPZSA-N 336.520 3.746 0 1 EHAF biogenic CCN(CC)CCN(CC)[C@@H]1c2ccccc2OCc2ncccc21 27882847 LJVIQVVPNUTCCZ-NRFANRHFSA-N 339.483 3.727 0 1 EHAF NCCCN(C(=O)c1c[nH]c2ccccc12)[C@@H]1CCc2ccccc2C1 28825852 CBRMUBMTRMALEN-GOSISDBHSA-N 347.462 3.516 0 1 EHAF COCC(=O)NCc1ccc2[nH]c(-c3ccccc3F)c(C)c2c1 39485394 KDQXWODCPPUDSU-UHFFFAOYSA-N 326.371 3.545 0 1 EHAF CCOC(=O)c1c(OC2CCC(CC)CC2)c(CC)c(C)[nH]c1=O 40425345 ZAUJCNRXVZBUBI-UHFFFAOYSA-N 335.444 3.770 0 1 EHAF Nc1ncc(-c2cc([C@H]3[C@@H]4COC[C@@H]43)n(C3CCCC3)n2)cc1Cl 148071311 CASJNYCSBRXIPG-LAQFHYBYSA-N 344.846 3.656 0 1 EHAF C[C@@H]1C(=O)S[C@](C)(Cc2ccc(C(=O)c3ccccc3)cc2)C1=O 169720213 GYDRFPNNAMYDNO-RNODOKPDSA-N 338.428 3.697 0 1 EHAF CC(C)[C@H](NC(=S)NCc1ccccc1)c1nc2ccccc2[nH]1 230504036 LAXVNBBUSDITHB-KRWDZBQOSA-N 338.480 3.924 0 1 EHAF C/C1=C\CC(=O)[C@@H](C)CC(=O)[C@H]([C@@H](C)C(=O)O)[C@@H]2[C@H](CC1)C2(C)C 238783075 OCVJELOLAGLKGF-PKUQMICPSA-N 334.456 3.890 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255215402 HHUZGDMRRLQZIQ-WCDLCACESA-N 334.500 3.566 0 1 EHAF O=C(O)c1ccccc1/C=C/c1nc2cc(C(F)(F)F)ncc2[nH]1 586880425 QIDLGGSUQOGUBK-AATRIKPKSA-N 333.269 3.845 0 1 EHAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(SC)cc3[nH]2)c1 586922101 QRMVPDJVMGQEKB-UHFFFAOYSA-N 346.477 3.669 0 1 EHAF COC(=O)C[C@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587105938 HKZIAXWVEXIXDN-GFCCVEGCSA-N 343.382 3.724 0 1 EHAF O=C(/C=C\c1nc2c(F)cnc(Cl)c2[nH]1)Nc1ccc(F)cc1 587166786 IYWCMMFPMRINTG-WAYWQWQTSA-N 334.713 3.541 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)nc3ccccn13)O2 587381010 ZNUDRHONLLACPI-SFHVURJKSA-N 341.798 3.759 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)cc1N)[C@@H](C2)C3=O 587419076 JIPLAYYXKUNXJF-UGSOOPFHSA-N 329.783 3.594 0 1 EHAF C[C@@]1(Cc2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588952 VPYOHEJQGBOFKT-NQIIRXRSSA-N 347.370 3.750 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H]2CCOC2)N1 587832840 DEGXZHLSLIRNMB-UVWXRNBGSA-N 342.252 3.764 0 1 EHAF Cn1c(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)nc2ccccc21 587874736 JDVUAAKEXBFGGI-UHFFFAOYSA-N 348.337 3.565 0 1 EHAF COc1ccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1OC 587926525 HYQVNUVQNXFXIZ-UHFFFAOYSA-N 340.276 3.727 0 1 EHAF Cn1cc(CC[C@@H]2c3ccsc3CCN2Cc2ccco2)cn1 962704878 HYYODUQESHVDIT-QGZVFWFLSA-N 327.453 3.807 0 1 EHAF Cc1ncc(C(=O)Nc2ccc(-c3cccc(C4CC4)c3)cn2)cn1 1772646337 ZFDSVPIYMGLGBE-UHFFFAOYSA-N 330.391 3.977 0 1 EHAF NC(=S)c1cccc(-c2cn(CC3CC3)c3cc(CO)ccc23)c1 1857549726 MDYNZZBODUJSMT-UHFFFAOYSA-N 336.460 3.845 0 1 EHAF CC(C)N1CC[C@H](NC(=O)c2c(Cl)cccc2Cl)[C@@H](F)C1 1857583506 GTUHXXVOMDJMHH-STQMWFEESA-N 333.234 3.544 0 1 EHAF O[C@@H](COc1ccc(Oc2ccccc2)cc1)CO[C@H]1CCCCO1 26390078 AVEWKRONOBTESG-JXFKEZNVSA-N 344.407 3.762 0 1 EHAF CCCCOc1ccc(/C=C(\[C@@H](O)C(C)(C)C)n2cncn2)cc1 27424775 KFNRMSKQSRWLEC-XCMFGDQWSA-N 329.444 3.862 0 1 EHAF CC(C)=CCc1ccc(O)c([C@@H]2OC(=O)c3c(O)cc(C)cc32)c1O 2356322736 ALQPPAOVZNSJLR-LJQANCHMSA-N 340.375 3.880 0 1 EHAF COc1ccc(OC)c([C@@H](O)c2ncc(-c3ccccc3Cl)[nH]2)c1 61905480 JFDTUCCKUNNPRB-QGZVFWFLSA-N 344.798 3.829 0 3 EHAF Cc1c(CN2CCN(C(=O)NC(C)(C)C)CC2)sc2ccccc12 43012313 NKWAOJHGZJOVCE-UHFFFAOYSA-N 345.512 3.835 0 1 EHAF CN1C(=O)[C@]2(Nc3ccccc3S2)c2cc(Br)ccc21 49052117 JRGMOULFDBPXFQ-HNNXBMFYSA-N 347.237 3.796 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CNCCC[C@]34C)[C@@H]1CC=C2n1ccnn1 146032338 NLVDZZBMJAKKJD-ZKHIMWLXSA-N 340.515 3.971 0 1 EHAF CCCCOc1cccc(CCNCC(=O)N(CCC)CCC)c1 142805184 XHAHBSNMOPQNHO-UHFFFAOYSA-N 334.504 3.646 0 1 EHAF C/C=C(/C)C(=O)OC[C@]12CC[C@@H]([C@H](C)CCC=C(C)C)C(=O)[C@H]1O2 238748348 JPLWCRKPJJCGPH-QRXSQLFASA-N 334.456 3.995 0 1 EHAF CC(=O)c1cccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 96702025 QYKDLMGIMKYBIW-UHFFFAOYSA-N 342.826 3.505 0 1 EHAF Cc1nn(C(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565890 IOGPTCCOMHKKMN-UHFFFAOYSA-N 337.826 3.732 0 1 EHAF CCCCOc1cccc2cc(C(=O)N[C@H](C)C(C)C)c(=O)oc12 299867832 QOHUMPFRGCFQJU-CYBMUJFWSA-N 331.412 3.746 0 1 EHAF Cc1cc2[nH]c(-c3ccc(N(C)C)cn3)nc2cc1Br 587195192 RYVXAFOFTVYMMU-UHFFFAOYSA-N 331.217 3.762 0 1 EHAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3occ4c3CCC4)nc1-2 586905153 HXLOVYFGQKWSHM-UHFFFAOYSA-N 328.681 3.725 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C2CC2)on1 587871637 LNXNGNVNPMEIFI-UHFFFAOYSA-N 341.342 3.642 0 1 EHAF COc1ccc2c(c1)C[C@H](c1nc3cc(OC)c(OC)cc3[nH]1)CC2 587944969 BYUJZTROIFLWIP-CYBMUJFWSA-N 338.407 3.861 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ncccc1C)O2 587388738 ANIPETJDRUIBFP-SFHVURJKSA-N 333.391 3.778 0 1 EHAF C[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)n1cc(Cl)cn1 587080695 XOBSTIOUQYIVAD-LURJTMIESA-N 343.587 3.924 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)ccc1N)[C@@H](C2)C3=O 587418549 JCGGCVZHVNKIFP-SCLBCKFNSA-N 329.783 3.594 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCN(C)CC2)N1 587770216 RFNSKKXVRVKUJZ-QLJPJBMISA-N 341.268 3.505 0 1 EHAF OC1CCN(c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)CC1 587213202 UKCMMCCFOLLLJP-UHFFFAOYSA-N 330.431 3.962 0 1 EHAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587087591 DVCNMFNBBHTNFM-JTQLQIEISA-N 347.344 3.637 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H](C)NC(=O)OC(C)(C)C)O2 587388167 XETWVQAEOQILPA-BUXKBTBVSA-N 348.443 3.604 0 1 EHAF COc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 586983690 HKVCHRQFJJYWLN-ZDUSSCGKSA-N 346.228 3.577 0 1 EHAF COCC(C)(C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587791832 IOZFGLGJVRDTAR-XPTSAGLGSA-N 330.241 3.836 0 1 EHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3cn[nH]c3cc2[nH]1 587927395 QABRUIMZNWYKKP-ZDUSSCGKSA-N 336.395 3.998 0 1 EHAF Cc1ncsc1CCc1nc2ccc(Br)c(O)c2[nH]1 587026798 IZWQPRAPQSNOQN-UHFFFAOYSA-N 338.230 3.581 0 1 EHAF Cc1c(Br)cnc2[nH]c([C@](F)(Cl)C(F)(F)F)nc12 587090684 VLHONWMFGJGHFK-MRVPVSSYSA-N 346.509 3.952 0 1 EHAF CC(C)c1nn(C)c2c1[C@@H](c1cc(Cl)c(F)cc1F)NCC2 962921535 OAYRFFILWWFJNK-MRXNPFEDSA-N 325.790 3.710 0 1 EHAF COc1ccc(N(C)c2nc(N)nc3[nH]c4cccc(C)c4c23)cc1 1772656713 QZYUTQCVLFLHGU-UHFFFAOYSA-N 333.395 3.778 0 1 EHAF Cc1occc1C(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 12575373 NYAWOVVANLFBCL-MRXNPFEDSA-N 332.831 3.636 0 3 EHAF Cc1ccc(F)cc1-c1cc(O)c2cc(NC(=O)C3CC3)ncc2n1 169700092 TVIZIXCYMOCLRG-UHFFFAOYSA-N 337.354 3.798 0 1 EHAF Cc1ccc(-c2nc3ccc(C4=NNC(=O)C[C@H]4C)cc3o2)s1 168208304 ULDHGGFVDCCJFT-SECBINFHSA-N 325.393 3.725 0 1 EHAF COc1ccc2c(c1)[C@]1(C)CCN(C(=O)C3CCCC3)[C@H](C2)[C@@H]1C 201099834 WZOJBZZGYNYQJG-UQIDSAAFSA-N 327.468 3.936 0 1 EHAF CC(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3CC=CC(=O)O3)[C@@H]21 2356417265 WIPNMFLFZURMNZ-VGWAMKAKSA-N 344.451 3.975 0 1 EHAF Cc1ncc2cc(-c3c(C)cccc3Br)c(N)nc2n1 27303848 GQTQNPAATBYNRE-UHFFFAOYSA-N 329.201 3.653 0 1 EHAF O=C(O)c1ccc(N2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1 28384205 CJUXHGFFZYKFMW-ZROIWOOFSA-N 343.335 3.765 0 1 EHAF OC1=C2C(=Nc3nc(O)nc(O)c3[C@@H]2c2ccc(Cl)cc2)CCC1 100703054 RILRXBVLQICFRT-GFCCVEGCSA-N 343.770 3.755 0 1 EHAF Oc1cccc(-c2nc(N3CCC(F)(F)CC3)c3ncccc3n2)c1 103255518 NPBGCHVKHZYPBC-UHFFFAOYSA-N 342.349 3.633 0 1 EHAF COc1ccc2c(c1)[C@@H]1CN[C@@H]2Cc2ccc(Br)cc21 100740079 WDZZIONYDSCSJX-IAGOWNOFSA-N 330.225 3.790 0 1 EHAF CC(=O)OC[C@@]12CO[C@H]3c4ccccc4O[C@@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C 101138345 YMPPYMYJLCYPBO-RIDBTVEUSA-N 330.424 3.751 0 1 EHAF COc1c(-c2ccc(Cl)cc2)oc2c(CC(=O)O)cccc2c1=O 27195384 YFFURTNASOCJJL-UHFFFAOYSA-N 344.750 3.749 0 1 EHAF CN(C)CCC(=O)NN1c2ccccc2Sc2cc(Cl)ccc21 66258596 OGSIAWJVXJZZOI-UHFFFAOYSA-N 347.871 3.926 0 1 EHAF Cc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC(C)C)n2)cc1 82191955 ZKGPOSGOGVSFIF-INIZCTEOSA-N 329.469 3.612 0 1 EHAF CC(=N)N(C(=S)N1CCC[C@H](CO)C1)c1ccc(C(C)C)cc1 82052078 MFFSTCLWLGPJID-HNNXBMFYSA-N 333.501 3.603 0 1 EHAF CCOc1cc2nc(SCCn3ccnc3)n(C)c2cc1Cl 96924275 QUBHDMYIDDMELI-UHFFFAOYSA-N 336.848 3.614 0 1 EHAF COc1ccc(-c2cc(-c3ccc4c(c3)CN(C(C)C)C4=O)on2)cn1 299856486 JAQSBCZWUVWMOU-UHFFFAOYSA-N 349.390 3.776 0 1 EHAF COc1ccc(-c2cc(/C=C3\C(=O)Nc4ccccc43)[nH]n2)cc1OC 299858885 FAYPMKOPLYBXCF-GDNBJRDFSA-N 347.374 3.587 0 1 EHAF C[C@@H](Sc1ncccn1)c1nc2cccc(Br)c2[nH]1 586962153 OUVJECDCHBXGSS-MRVPVSSYSA-N 335.230 3.969 0 1 EHAF CC(=O)NC(C)(C)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587513670 TXZOKNSVFMQNCC-HXUWFJFHSA-N 329.440 3.594 0 1 EHAF Nc1c(F)c(F)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1F 587137111 UBWNKKVXGBPDAD-UHFFFAOYSA-N 332.207 3.643 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(CC(F)(F)F)s1)O2 587381753 LCQFVSLQZIYDSQ-LLVKDONJSA-N 342.342 3.845 0 1 EHAF Cc1cc(C)n(-c2ccc(-n3nc4cc3Oc3ccc(F)cc3-4)nn2)n1 587875818 NMUMPZCINCYVAQ-UHFFFAOYSA-N 348.341 3.377 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CO)c1)CC2=O 587477824 JNBKFVJSGAGDGB-IBGZPJMESA-N 342.391 3.552 0 1 EHAF CCCCO[C@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C 587440286 BPPDQMZNOQYHSQ-IIMJZQEZSA-N 330.424 3.797 0 1 EHAF Cc1ccc2c(ccc3nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c32)n1 587094202 MQLGEKDTQOFFSD-SECBINFHSA-N 336.317 3.549 0 1 EHAF Cc1cc(Cc2nc3c(Cl)ncnc3[nH]2)ccc1Br 586976405 JKZLDCCEMLKMSK-UHFFFAOYSA-N 337.608 3.668 0 1 EHAF Cc1ccnc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc12 587241696 HJOMLBZXBQRAFC-UHFFFAOYSA-N 340.383 3.986 0 1 EHAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 587112412 JOPARCQFFQPXFX-QGZVFWFLSA-N 347.340 3.981 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c(C)c1C=O)CC2=O 587480238 DBZVJDXQHVGISS-KRWDZBQOSA-N 327.380 3.809 0 1 EHAF CC[C@]1(c2ccnc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421583 QCSVIADNLOHANQ-FZKQIMNGSA-N 329.783 3.797 0 1 EHAF Cc1cc2c(cc1F)[C@](Cc1ccccc1)([C@H]1CCCNC1)NCC2 962298575 MYKPXGSPEJFIBW-UGKGYDQZSA-N 338.470 3.717 0 1 EHAF Fc1cc(-c2ccncc2)ccc1[C@@H]1NCCc2nc3ccccn3c21 962992770 YZVJPCSYFDKABV-FQEVSTJZSA-N 344.393 3.771 0 1 EHAF CCn1ncc([C@]2(C(F)(F)F)NCCc3ccc(F)c(C)c32)c1C 962375554 NXXJWLGFKAHQDT-INIZCTEOSA-N 341.352 3.611 0 1 EHAF N[C@@H]1Cc2c(Cl)cccc2[C@@]12c1c(F)cccc1C[C@@H]1CCCN12 963094299 CJQOQEFRZAYYMB-VIZZQPHQSA-N 342.845 3.627 0 1 EHAF CCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@H]1C2 13453829 ZLFLUZOZKIPTJJ-ICSRJNTNSA-N 330.472 3.873 0 1 EHAF CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC/C=C/c1ccccc1 13583943 OHNURQITZQKALN-KXDZFCSZSA-N 337.463 3.913 0 1 EHAF c1ccc2c(C3=Nn4c(nnc4-c4ccncc4)SC3)cccc2c1 169309702 LHNTVDTYZJJHSC-UHFFFAOYSA-N 343.415 3.851 0 1 EHAF Cc1nn(C)c2nc3ccccc3c(NCCCNC(C)(C)C)c12 169326527 UVAWYYJOXMBESW-UHFFFAOYSA-N 325.460 3.620 0 1 EHAF O=c1oc2ccc(Cl)cc2n1Cc1ccc(O)c2ncccc12 1857583362 YXJNDTUHHXQKNL-UHFFFAOYSA-N 326.739 3.550 0 1 EHAF COc1cccc(Nc2cc(NC(=O)c3ccc(F)cc3)ncn2)c1 1857774048 VVXKPACSDDAWNQ-UHFFFAOYSA-N 338.342 3.620 0 1 EHAF Fc1c(F)c(F)c(OCC2CCN(CC3CC3)CC2)c(F)c1F 13730033 OVGYXPASCXSXCK-UHFFFAOYSA-N 335.316 3.883 0 1 EHAF Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)c(C)c1 1329803 XYCPJMIWTCJFFV-SFHVURJKSA-N 343.471 3.749 0 3 EHAF CCN(CC)c1cccc2c1[C@]1(O)CCC3(C[C@H]21)OCCCCO3 1634637 ODPASZXSVHFLOL-UZLBHIALSA-N 331.456 3.525 0 1 EHAF CC(=O)[C@@H]1C[C@@H](O)[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356374935 KNGHISXLFKDPCP-HCAKDQDKSA-N 332.484 3.774 0 1 EHAF CC(=O)O[C@@H](CCc1ccc(O)cc1)C[C@@H](O)C=Cc1ccccc1 2356411446 PMPAJIJYADFUOO-SFTDATJTSA-N 340.419 3.721 0 1 EHAF COC(=O)C/C=C\[C@H](C)[C@H](OC)c1ccccc1Br 3965529 WPCOPGOEBYZGMO-YJIUROCISA-N 327.218 3.892 0 1 EHAF OC1=C2C(=NC(=S)N[C@@H]2c2cccc(Br)c2)CCC1 103949046 HVOMCHQCVXUBKS-CYBMUJFWSA-N 337.242 3.815 0 1 EHAF COc1ccc(Cl)cc1N1C(=O)/C(=C\N(C)C)c2ccccc21 100918182 VHJPMNBCLKQSCV-KAMYIIQDSA-N 328.799 3.929 0 1 EHAF C[C@@H]1CC[C@]2(C)C(CO)=CCC[C@@H]2[C@]1(C)CCC(=CC(=O)O)CO 2356463780 LRLROPFPFABQRF-SJFSSXKUSA-N 336.472 3.541 0 1 EHAF CCCCCCNC1=NCc2nnc(C)n2-c2ccc(Cl)cc21 28000464 PZYNGDYDODDQEF-UHFFFAOYSA-N 331.851 3.659 0 1 EHAF COc1ccc(-c2csc3c2-n2cccc2C3=O)c(OC)c1OC 29250168 RSILIGGITRHHAH-UHFFFAOYSA-N 341.388 3.776 0 1 EHAF COc1cccc(C(=O)c2cccn2-c2cc(F)c(O)c(F)c2)c1 66099974 VDBUHKUPHPCRSG-UHFFFAOYSA-N 329.302 3.701 0 1 EHAF C[C@](O)(c1cccc(F)c1)c1nc(-c2cccc(C(=O)O)c2)cs1 61930760 VETSTSUPQJKUKO-SFHVURJKSA-N 343.379 3.903 0 3 EHAF Clc1cccc(CN2CC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 28642177 DBLHWYWZXQGUJM-KRWDZBQOSA-N 326.831 3.903 0 1 EHAF CC1=CCC[C@H]2[C@@]1(C)[C@@H](O)C[C@@H](C)[C@@]2(C)CCC(=CC(=O)O)CO 2356579287 WRCVUQWHXHGCEC-YTYFBAJQSA-N 336.472 3.540 0 1 EHAF C[C@H]1C=C[C@H]2CCC[C@@H](C)[C@H]2[C@@]12C(=O)N[C@H](Cc1ccccc1)C2=O 2356678967 ZUCYLMDAXHXTEP-OQXQQMKCSA-N 337.463 3.541 0 1 EHAF COCCOc1cccc(-c2nc3ccc(OC(C)C)nn3c2C)c1 72173230 ZPQBJXQHEXUYKY-UHFFFAOYSA-N 341.411 3.517 0 1 EHAF O=C1CCN(Cc2ccccc2)C(=O)c2c1ccn2Cc1ccccc1 72175462 YEXLKPLDGKCBQG-UHFFFAOYSA-N 344.414 3.765 0 1 EHAF CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc21 84669856 XVLBYYUDKFJBBH-UHFFFAOYSA-N 326.791 3.791 0 1 EHAF CN(c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1)C1CCCCC1 82231388 LHRAQAGOJIBILS-UHFFFAOYSA-N 334.423 3.754 0 1 EHAF CC[C@@H]1C(=O)O[C@@H]2[C@H]1O[C@]1(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]21 238735772 JNUVXMXKQPURQN-MTDIXYHDSA-N 334.456 3.517 0 1 EHAF COc1ccc(Oc2oc3cc(OC)ccc3c(=O)c2OC)cc1 95486296 RRBCREFCXBTCNK-UHFFFAOYSA-N 328.320 3.611 0 1 EHAF biogenic,in-vitro Cc1c(C(=O)N(Cc2ccco2)C2CCNCC2)oc2ccccc12 95578433 IWDPQZHAOYGBMR-UHFFFAOYSA-N 338.407 3.729 0 1 EHAF COc1ccc(-c2cc(/C=C3\C(=O)Nc4ccc(OC)cc43)[nH]n2)cc1 299868906 SQMNHDOHVIIMLZ-MFOYZWKCSA-N 347.374 3.587 0 1 EHAF OCc1ccc(F)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 587140596 ODCNCXPMLYDRRY-UHFFFAOYSA-N 339.139 3.763 0 1 EHAF Clc1c[nH]c2nc(-c3ccccc3OCc3cscn3)nc-2n1 587028920 BLQKZRCKCNFSRT-UHFFFAOYSA-N 343.799 3.660 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4noc(C)n4)c1)[C@@H](C2)C3=O 587438702 PXZZMKXWCKHQJC-KXBFYZLASA-N 348.358 3.542 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2F)N1 587737831 HOVIILLCDWCPTJ-XLKFXECMSA-N 339.183 3.746 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)O)o1)CC2=O 587478144 GKVFFCUULJCVET-GOSISDBHSA-N 330.336 3.517 0 1 EHAF COc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1OC 587017771 YZDWXYSZWUUMEV-LBPRGKRZSA-N 331.397 3.555 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)O[C@H](C)CC)CC2=O 587485711 QNCNUDOJPJEGHS-BLVKFPJESA-N 334.412 3.800 0 1 EHAF CO[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587808566 GWENNBSBFHZEIX-KANYHAFZSA-N 342.252 3.907 0 1 EHAF Oc1c(Br)ccc2nc(-c3ccc(Cl)nc3F)[nH]c12 587177623 QXUDGDSRAMYTGC-UHFFFAOYSA-N 342.555 3.886 0 1 EHAF CCS(=O)(=O)c1cccc(Cc2nc3cc(C)c(C)cc3[nH]2)c1 586921933 PDCUGZWLVMVABQ-UHFFFAOYSA-N 328.437 3.564 0 1 EHAF COc1cccc(C)c1[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962702550 BAWLHDMJTXZEKK-PBHICJAKSA-N 349.352 3.739 0 1 EHAF Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)O)cn3)n2)s1 1772655816 LASNORUOBAPSMP-UHFFFAOYSA-N 332.410 3.720 0 1 EHAF CC1CCC(n2cnc3c(sc4nccc(N(C)C)c43)c2=O)CC1 13676137 YYVZSQMPPRXPRD-UHFFFAOYSA-N 342.468 3.823 0 1 EHAF S=C(NCCc1c[nH]c2ccccc12)SCc1cccnc1 13679681 NTJWLQVNWVRBOO-UHFFFAOYSA-N 327.478 3.913 0 1 EHAF COc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)CCC2)cc1 13744714 AXHNSRKZLXKWPC-UHFFFAOYSA-N 328.799 3.989 0 1 EHAF CCN(CC)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21 13824811 BIZMICGZFYIFMT-UHFFFAOYSA-N 342.830 3.620 0 1 EHAF CCOC(=O)[C@H]1[C@@H](c2ccc3c(ccn3CC)c2)C[C@@H]2CC[C@@H]1N2C 169369079 CVPBQVINTITVFJ-HNJRGHQBSA-N 340.467 3.791 0 1 EHAF CC(C)(C)OC(=O)NCC(=O)Oc1ccc2ccc(Cl)ccc1-2 1857770860 CBRJOQLKRVDYRG-UHFFFAOYSA-N 335.787 3.875 0 1 EHAF CCCCCCC1=NOC[C@]1(C)C(=O)NCCc1ccc(F)cc1 4214457 WJBAGODRONBXEN-IBGZPJMESA-N 334.435 3.847 0 1 EHAF c1ccc(C(OCCN2CC[C@@H]3CC[C@@H](C2)N3)c2ccccc2)cc1 100870060 WSNBTUPOYQOKHZ-SFTDATJTSA-N 336.479 3.619 0 1 EHAF Cc1nc(C(=O)N[C@H]2[C@H]3C[C@@H]4C[C@@H](C3)[C@@H]2C4)c(C)n1-c1ccccc1 101321159 LNFIGJSRRJNZFD-OHTAKOAQSA-N 335.451 3.654 0 1 EHAF Oc1ccc(-c2nnc(COc3ccccc3Cl)s2)c(O)c1 28712195 GTFRHTYPCRHQFK-UHFFFAOYSA-N 334.784 3.849 0 1 EHAF C[C@H](C(=O)N(C)C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27556582 DVZKXLYXWWQKDT-NWANDNLSSA-N 331.481 3.973 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cccc(O)c3CC[C@@H]21 117625656 YSGRGDDXHXDDQL-BEFAXECRSA-N 347.418 3.603 0 1 EHAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CCCCCCC(N)=O 2356467978 MQRNEORINXRRAS-FGTMMUONSA-N 337.504 3.905 0 1 EHAF O=c1c(-c2ccc(O)cc2)coc2c(Cl)c(O)c(Cl)c(O)c12 2356675173 JRROJFOEHPNNPE-UHFFFAOYSA-N 339.130 3.884 0 1 EHAF COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc21 34640451 LHYWGVZKOTTYSZ-OAHLLOKOSA-N 337.467 3.859 0 1 EHAF C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 40449292 WABPWKRYVLWCHS-IMKWXWIASA-N 345.483 3.621 0 1 EHAF COc1ccc(-c2cc(=O)c3cc(F)ccc3o2)c(OC)c1OC 96142772 UROMRLJINSAREY-UHFFFAOYSA-N 330.311 3.625 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCCF)cc1)[C@@H](C2)C3=O 587424829 VVBLBXSJRYOSRX-JXFKEZNVSA-N 342.366 3.706 0 1 EHAF COc1ccc(C=O)c2cc(-c3nc4nc(Cl)ccc4[nH]3)oc12 586902598 ACYNLTUQYHWUOK-UHFFFAOYSA-N 327.727 3.846 0 1 EHAF COc1ccc2c(c1)cc([C@@H]1CC(=O)c3cc(C)cc(N)c3O1)n2C 587389324 HEVTWOYRIACBBL-IBGZPJMESA-N 336.391 3.784 0 1 EHAF COc1cc2c3c(c1)O[C@H](CCc1nc4ccccc4o1)[C@@H](C2)C3=O 587436971 VFLHRDARTUWDKY-UKRRQHHQSA-N 335.359 3.585 0 1 EHAF Cc1cc(F)c2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc2c1 586912505 FQKKYDKGUFVREY-UHFFFAOYSA-N 326.371 3.813 0 1 EHAF CCCC(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814182 RNUUVMBUFIHZJO-RFAUZJTJSA-N 328.225 3.707 0 1 EHAF O=C(c1ccc2c(c1)OCO2)c1c[nH]c2ccc(Br)cc12 37364163 VSVYHKIJKPEKIB-UHFFFAOYSA-N 344.164 3.890 0 1 EHAF CC(C)(F)c1ncncc1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963095806 DQXNREZOAVVMQH-GUYCJALGSA-N 329.394 3.930 0 1 EHAF O=C1CS[C@H](c2ccccc2)N1CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 13147317 CRUUIYIDIZATLS-CRDIQXKNSA-N 343.492 3.592 0 1 EHAF COCCNc1nc(-c2cc(-c3ccccc3)on2)cc(C(C)C)n1 13657594 YXKQAVMSWORRCI-UHFFFAOYSA-N 338.411 3.980 0 3 EHAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@@H](CC)N2 6412092 PSTKHBSTRDODOT-GFCCVEGCSA-N 339.399 3.557 0 1 EHAF Cc1ccnn1C[C@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2 101433118 FTQFUQZSKDXZNW-DLBZAZTESA-N 336.266 3.820 0 1 EHAF Cc1nc(C(=O)N[C@H]2[C@H]3C[C@H]4C[C@H]3C[C@H]2C4)c(C)n1-c1ccccc1 101321149 LNFIGJSRRJNZFD-KFYUBCHVSA-N 335.451 3.654 0 1 EHAF CN(C)CCNC(=O)c1cccc2c1Sc1ccccc1S2 27750329 VQXIWLHSMYESRH-UHFFFAOYSA-N 330.478 3.594 0 1 EHAF CCSCCn1/c(=N/O)sc2cc(OC(F)(F)F)ccc21 26675051 MLJVEEQZZKEZRH-WJDWOHSUSA-N 338.376 3.644 0 1 EHAF CC[C@@H]1c2ccc(OC)cc2N2C(=O)C[C@]34C=CCN(C)[C@@]23[C@H]1CC4 2356478317 ZPZZXKOHHNKQTR-UWGQAIRJSA-N 338.451 3.533 0 1 EHAF O=C(NCc1cccnc1)C1=Cc2sc3c(c2CS1)CCCC3 20557394 PLQXCVMNQBARBG-UHFFFAOYSA-N 342.489 3.926 0 1 EHAF CCOc1ccccc1-c1nc(C(=O)NCc2ccco2)cs1 35895898 UDGGXZQHHTWXLG-UHFFFAOYSA-N 328.393 3.732 0 1 EHAF OC[C@H]1CCCN1c1nccnc1-c1ccccc1Oc1ccccc1 45355073 TZPSGRBDYQACCS-MRXNPFEDSA-N 347.418 3.897 0 1 EHAF CC1(C)C[C@@H](NC(=S)Nc2cccnc2)c2cc(F)ccc2O1 45349576 OGOYKRYNXSISTM-CQSZACIVSA-N 331.416 3.810 0 1 EHAF C[C@@]1(c2cccc(NCc3ccc(Cl)cc3)c2)COCC(N)=N1 143123970 AMUVGZZEIPOFNT-SFHVURJKSA-N 329.831 3.555 0 1 EHAF Cn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144777857 BEINOJSOCXJQMT-QGZVFWFLSA-N 330.309 3.866 0 1 EHAF Nc1ccccc1NC(=O)CCC/C=C/CC(=O)Nc1ccccc1 95920872 WWKBRKDVEBSJBW-LZCJLJQNSA-N 337.423 3.963 0 1 EHAF in-vitro Cc1nc(NC(=O)Nc2cccc3c2[C@@H]2CCCCN2C3=O)cs1 95578071 QQGVIAUMZWZUCW-ZDUSSCGKSA-N 342.424 3.776 0 1 EHAF C[C@@H]1C[C@H](N2CCc3cc(NC(=N)c4cccs4)ccc32)CCN1 95559114 VMFWQYNIDQYSKD-CZUORRHYSA-N 340.496 3.689 0 1 EHAF Clc1ccc2c(NCCCNCc3cccnc3)ccnc2c1 96928859 WGZRJTHHSRUOOA-UHFFFAOYSA-N 326.831 3.875 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@](C)(O)[C@]12C 263637075 KGZOYCGNWWQQRH-YZSORVKRSA-N 346.423 3.892 0 1 EHAF CCOC(=O)[C@@H]1CC(=O)c2sccc2[C@H]1c1ccc(OC)cc1 653823863 UUPWUFYUUJXSHW-GDBMZVCRSA-N 330.405 3.654 0 1 EHAF C[C@@H]1C[C@@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657287 XXFJAWSFVLGJMG-PWSUYJOCSA-N 340.329 3.638 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c(OC)cccc14)[C@@H](C2)C3=O 587438797 QYZWHSKPVDKOMM-RNODOKPDSA-N 335.359 3.674 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c[nH]cc12 587590661 SXKCBBAGYQEDRG-YLJYHZDGSA-N 333.343 3.524 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccn2C)N1 587754977 NKSJICGBLFXFCQ-HWPZZCPQSA-N 337.236 3.724 0 1 EHAF CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccncc1 587651335 QUVAAJUYBOGYMG-UHFFFAOYSA-N 328.437 3.931 0 1 EHAF Nc1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1N 587074460 ATGLYYVJQSZVMM-KRWDZBQOSA-N 341.846 3.718 0 1 EHAF CCc1oc2ccccc2c1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586903519 LCGCPFWNRDQUGM-UHFFFAOYSA-N 340.404 3.942 0 1 EHAF O=C(O)c1ccccc1/C=C/c1nc2ccc(Br)nc2[nH]1 586882564 YBERDZIWZRRBIU-VMPITWQZSA-N 344.168 3.589 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccoc1 587862385 MFLSCCUZWVUQCK-UHFFFAOYSA-N 336.269 3.859 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1C1CCCCC1)[C@@H](C2)C3=O 587440828 QUKZQDRSQCRCDH-XOBRGWDASA-N 338.407 3.955 0 1 EHAF Oc1nc2cc3nc(-c4cc(F)cc(Br)c4)[nH]c3cc2[nH]1 587161569 XAGNLWUIKFOPNH-UHFFFAOYSA-N 347.147 3.713 0 1 EHAF O=C(c1ccccn1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587638789 PZFIUTLSAQIQPL-UHFFFAOYSA-N 334.253 3.511 0 1 EHAF CNc1c(F)cccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587135869 QNMVNQZRRQKKLA-UHFFFAOYSA-N 325.322 3.736 0 1 EHAF Oc1c(Br)ccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 586917574 SISYVCVVSGKASS-LBPRGKRZSA-N 347.168 3.544 0 1 EHAF COC(Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)OC 587095772 AKEOXTUEGWLQEH-UHFFFAOYSA-N 333.387 3.916 0 1 EHAF CN1C(=O)C[C@@H]2CN[C@](C)(c3cc(Cl)ccc3F)c3cccc1c32 963017488 CRTNKOKHKXIPQN-WYRIXSBYSA-N 344.817 3.796 0 1 EHAF CC[C@@]1(c2cccc(N)c2)NCCc2cnc3c(OC)cccc3c21 963072295 YLNJHHQHMDSLCF-NRFANRHFSA-N 333.435 3.625 0 1 EHAF COC(=O)c1cc([C@@H]2c3ccc(C)c4c3C3(CC3)CN42)cnc1Cl 963733613 WUOBEAKRQJCRBP-MRXNPFEDSA-N 340.810 3.785 0 1 EHAF Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1 1772597914 VQWCEMRHFCBWMO-UHFFFAOYSA-N 327.196 3.766 0 1 EHAF OC[C@]1(Cc2ccc(F)cc2)CCCN(CCCC(F)(F)F)C1 11706888 RRCSZSGBLAYNSV-INIZCTEOSA-N 333.369 3.785 0 3 EHAF CN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3ccccc32)CC1 13738214 XQIPQCHREHNRDI-UHFFFAOYSA-N 340.858 3.747 0 1 EHAF N#CN1CCC[C@H](NC(=O)Nc2cccc(Oc3ccccc3)c2)C1 1857584502 MQCRFGXSNFOGHX-INIZCTEOSA-N 336.395 3.546 0 1 EHAF COC(=O)c1ccc(-n2cnc3ccc(-c4ccncc4)cc32)cc1 1857772815 FECWKKFFXFRMBE-UHFFFAOYSA-N 329.359 3.874 0 1 EHAF CC(C)c1ccc(O)c(-c2nc(N[C@H]3CCNC3)c3ccccc3n2)c1 59276672 IEHXJJCKAJZPGU-HNNXBMFYSA-N 348.450 3.900 0 1 EHAF O=C1N[C@H](c2c[nH]c3ccc(Br)cc23)Nc2ccccc21 103297240 QPAUXWJLCLEWAG-OAHLLOKOSA-N 342.196 3.785 0 1 EHAF Nc1ccc(Cn2ccc(OCc3ccccc3)cc2=O)c(Cl)c1 29047644 VDPUOHFJPAWBKO-UHFFFAOYSA-N 340.810 3.711 0 1 EHAF CNC(=O)[C@H](OC)c1cccc(COc2ccc(Cl)cc2C)c1 103177230 VPMKTYSAKJDJJF-QGZVFWFLSA-N 333.815 3.661 0 1 EHAF COc1cc(O)c2c(=O)cc(-c3cccc(Br)c3)[nH]c2c1 28458378 MXWMGMKCSFXYPC-UHFFFAOYSA-N 346.180 3.672 0 1 EHAF O=c1c2cc(Cl)ccc2ncn1CCCCCCn1ccnc1 26381453 SABMBAZNVDQMNB-UHFFFAOYSA-N 330.819 3.507 0 1 EHAF CN(C)C(=O)N1N=C(c2cc(F)ccc2F)C[C@H]1c1ccccc1 28525185 OJTLBPPHFFUINF-KRWDZBQOSA-N 329.350 3.798 0 1 EHAF CN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H]2c3ccccc3OC[C@H]21 64573592 JRMUGUICVMPLSH-LZLYRXPVSA-N 327.811 3.629 0 1 EHAF CC(=O)n1cc(-c2ccnc(NC3CCCCC3)n2)c2cccnc21 36124468 UOXBVHRCZIPJEI-UHFFFAOYSA-N 335.411 3.898 0 1 EHAF CN1CCC(N2CCc3cc(NC(=N)c4cccs4)ccc32)CC1 95562958 CTXVBQLVJSTMSQ-UHFFFAOYSA-N 340.496 3.642 0 1 EHAF Cc1cccc2c(=O)nc(N(Cc3ccccn3)c3cccnc3)oc12 95561881 NGRBZYSCYZCFKF-UHFFFAOYSA-N 344.374 3.625 0 1 EHAF CC1CCN(c2cc(-c3ccc(C(F)(F)F)cc3)nc(N)n2)CC1 98209081 YZEUYKXNCFTYAI-UHFFFAOYSA-N 336.361 3.981 0 1 EHAF in-vitro C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)Cc3occ(C)c3C[C@]2(C)[C@H]1C 238780721 GXUMIIXHSIMDQI-UYHKUMSQSA-N 332.440 3.732 0 1 EHAF CNc1nc2ccccc2n2c(-c3ccc(OC)c(OC)c3)cnc12 653747444 VDOWSTKRHUQHPI-UHFFFAOYSA-N 334.379 3.608 0 1 EHAF COC(C)(C)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595447 OACDNPITNLMGDB-OXQOHEQNSA-N 342.391 3.928 0 1 EHAF COc1nccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c12 587065911 DWIKZUKGZFUPQZ-UHFFFAOYSA-N 331.803 3.940 0 1 EHAF FC(F)(F)c1cccnc1-c1nc2c(Br)ccnc2[nH]1 587108361 JWUGVXULBKDKJF-UHFFFAOYSA-N 343.106 3.801 0 1 EHAF Cc1c([C@@H]2CCCNC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989207 BIRNZRHVCHEGEQ-CYBMUJFWSA-N 344.414 3.927 0 1 EHAF Cc1c(Br)cnc2[nH]c(-c3cc(F)cc(F)c3O)nc12 587134628 RTGVRADHKMXBIG-UHFFFAOYSA-N 340.127 3.680 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccnn1-c1ccccc1)[C@@H](C2)C3=O 587432089 MWOWARQWBSXUCB-HRAATJIYSA-N 346.386 3.544 0 1 EHAF O=C(O)c1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O 587945342 MJUQNYSOLHICCV-UHFFFAOYSA-N 347.273 3.657 0 1 EHAF COc1ccc(CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1O 587398603 FUICNASGZFNZQL-FQEVSTJZSA-N 341.407 3.648 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccsc1)O2 587413876 QRFHYWYKXAFLDF-HNNXBMFYSA-N 325.393 3.735 0 1 EHAF O=C1c2ccc(O)cc2OC2(CCC(O)CC2)[C@H]1c1ccc(F)cc1 587356689 QLFXLNNALFZTKY-JMARDNNUSA-N 342.366 3.564 0 1 EHAF COc1ccc(/C=C/Cc2nc3ccc(C(=O)O)cc3[nH]2)c(OC)c1 587929006 JJAHWWPDEYIMGF-ONEGZZNKSA-N 338.363 3.534 0 1 EHAF CC[C@]1(C2CCC(OC)CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442043 JOYMJCREWGOSHD-XRLQIKMRSA-N 330.424 3.797 0 1 EHAF CC(C)(C)Oc1ccc(O)n1[C@H](COc1cc(F)cc(F)c1)N=O 587944282 DJDGQRUCMZRWCR-CYBMUJFWSA-N 340.326 3.993 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCO2)N1 587843963 VHVTYCXOOKWBPH-TZTCFGBESA-N 328.225 3.517 0 1 EHAF C[C@H](CCc1ccc2c(c1)-c1ccccc1S2(=O)=O)CC(=O)O 169321027 ZTYCTUXGWFRNDY-GFCCVEGCSA-N 330.405 3.543 0 1 EHAF COc1ccc2c(c1OC)[C@H](c1ccnn1CC(C)C)N(C)[C@@H](C)C2 962615927 APCVRBSIFYMOJQ-LIRRHRJNSA-N 343.471 3.522 0 1 EHAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1cnnn1-c1ccccc1 963092490 AYDCWSQVOZJYFL-XLIONFOSSA-N 334.398 3.516 0 1 EHAF C/C=C/C=C\C=C(/CO)[C@H](OCc1c(O)cccc1CCC)[C@H](C)O 169352294 XKIAQQKVGCCNKN-OXKRTCHGSA-N 346.467 3.662 0 1 EHAF COc1ccccc1-c1cccc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772606085 OQVPDPIZHMMVHI-INIZCTEOSA-N 338.363 3.660 0 1 EHAF C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C(=O)c5[nH]ncc5C[C@]4(C)[C@H]3CC[C@@]21C 5503647 JIKWZDFWABFBJE-UIICKWAJSA-N 342.483 3.758 0 1 EHAF Cc1nc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)cs1 12306491 WAXPWQSDFZNSFV-MRXNPFEDSA-N 329.469 3.785 0 3 EHAF CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O 13488376 XOPMUDZOEKPBQZ-NSNJOPQOSA-N 339.476 3.510 0 1 EHAF in-vivo C[C@@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CCc1ccccc1 169369869 RUMQBVLWLNKHTD-VZPUWSDOSA-N 348.490 3.552 0 1 EHAF CN(C)c1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1 203008388 LEEAADSACVLXAJ-UHFFFAOYSA-N 335.415 3.630 0 1 EHAF CC(C)Cn1cc(-c2cc[nH]c(=N)n2)c2cc(Br)ccc21 1857537930 SJHFBLRAGIDPCV-UHFFFAOYSA-N 345.244 3.929 0 1 EHAF Nc1cccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1 1857557030 MFVBQWOCJCAWKJ-UHFFFAOYSA-N 331.371 3.976 0 1 EHAF FC(F)(F)c1nsc2cc(N=c3[nH][nH]c4ncccc34)ccc12 1857609643 ANVSJEGVZCUEPF-UHFFFAOYSA-N 335.314 3.752 0 1 EHAF COc1cc2ncnc(Nc3cncc4ccccc34)c2cc1OC 3815158 VLKHXGYXGJCXCH-UHFFFAOYSA-N 332.363 3.939 0 1 EHAF O=C1c2ccc(-c3cccc(F)c3)cc2CCN1CCN1CCCC1 59113583 WLSIIBHMNYNDNS-UHFFFAOYSA-N 338.426 3.587 0 1 EHAF CC(=O)c1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114332643 RZPNBOIDKHKPQD-FQEVSTJZSA-N 348.450 3.842 0 1 EHAF C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@H]4CCC(C)(C)N4O3)[C@@H]12 28360949 YKBNCANYICUBKG-UBSPYCGRSA-N 345.483 3.857 0 1 EHAF C[C@@H]1O[C@@H]2O[C@H](c3ccoc3)C[C@@]2(c2cccc3c2OCC3=O)[C@@H]1C 2356527779 MXUISQQTSVGKKO-CONNMEPBSA-N 340.375 3.635 0 1 EHAF CC(=O)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356544333 LNEQZQKOSDQBNG-UIABNVFGSA-N 332.484 3.774 0 1 EHAF CC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C 2356581478 XJVNAZVHBATLOY-GGTXOSAVSA-N 333.516 3.677 0 1 EHAF CCC=CCC=CCC=CC=CC=C[C@H](O)[C@@H](O)CCCC(=O)O 2356794754 LJVFZEAYTLPINK-OALUTQOASA-N 334.456 3.934 0 1 EHAF Cc1cccc2sc(-n3[nH]c4c(c3=O)-c3ccccc3CC4)nc12 73219920 LDLVIGXNYIUKHG-UHFFFAOYSA-N 333.416 3.849 0 1 EHAF Clc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1 45290392 WKYNJMYOOGWDID-UHFFFAOYSA-N 336.892 3.799 0 1 EHAF C[C@@]1([C@@H]2CO2)C[C@@H]2CC[C@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@]23O[C@H]3C1 40741552 BAVAPCQGJJCZCO-INEBIRRGSA-N 334.456 3.630 0 1 EHAF Cc1cc(NC(=O)NC(=O)c2ccc(F)cc2)c(C(C)C)cc1O 84690712 WHUDEJDFCKJOLE-UHFFFAOYSA-N 330.359 3.925 0 1 EHAF C[C@H](N[C@H](CC(=O)c1ccccc1Cl)C(=O)O)c1ccccc1 84597075 SPELZRHAASKTIW-BLLLJJGKSA-N 331.799 3.717 0 1 EHAF CC(C)CNc1cccc2c1ncn2-c1ccc(C(=O)NC2CC2)cc1 147551726 AXLKQHJZSVWDDI-UHFFFAOYSA-N 348.450 3.986 0 1 EHAF CC(C)=C1C/C=C(\C)CC[C@H](O)[C@H](C(=O)O)[C@@H](O)C/C=C(\C)CC1 238786048 MUKKWTZBXOOCHN-QNIXXWJPSA-N 336.472 3.992 0 1 EHAF Nc1nc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)cc2s1 96169391 LHTMBWOHTNBLDC-WBVHZDCISA-N 349.459 3.823 0 1 EHAF CC1(C)C=Cc2c(ccc3c2O[C@H](c2ccc(O)cc2O)CC3=O)O1 238771302 ZMDUCZDAIRFUFA-SFHVURJKSA-N 338.359 3.989 0 1 EHAF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@]3([C@@H](OC4=O)O1)[C@H]2CC(=O)c1ccoc1 238777268 COSWXWSVBYDRKX-ULFLFZEMSA-N 344.407 3.727 0 1 EHAF Cc1ccc(NC2(c3nc4ccc(C(N)=O)cc4[nH]3)CCCC2)cc1 587236961 ILDYLDYMLUYUTG-UHFFFAOYSA-N 334.423 3.852 0 1 EHAF COC(C)(C)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595445 OACDNPITNLMGDB-OXJNMPFZSA-N 342.391 3.928 0 1 EHAF COc1cncc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 586900381 IBKSYAMDGUXKQG-UHFFFAOYSA-N 349.346 3.618 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)cc1C(=O)O)O2 587377868 KTDSBWONEMQEDY-OAHLLOKOSA-N 331.755 3.635 0 1 EHAF CC[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2cc(C)cc(N)c2O1 587406281 ATIHNMNRYFLNKY-FQEVSTJZSA-N 339.391 3.619 0 1 EHAF O=C(O)c1ccccc1/C=C/c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586879191 JLHHEVJAZJMJKA-AATRIKPKSA-N 336.244 3.988 0 1 EHAF Nc1ccc(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)cc1 587251407 GFQIMXQHXWUUFX-UTCJRWHESA-N 333.164 3.612 0 1 EHAF COC(=O)c1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2n1 587170600 DLVJMMMOMVLEGV-JTQLQIEISA-N 345.399 3.779 0 1 EHAF C[C@@H]1O[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 586918139 JFHQQXUNMXKLKE-AJAUBTJJSA-N 331.995 3.548 0 1 EHAF COc1cc(OC)c2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc2c1 587149423 GVESPYBKCSZOHS-SECBINFHSA-N 334.322 3.998 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)N(Cc3ccccc3)C1)O2 587393394 HWXYNAKJCDEESS-VFNWGFHPSA-N 336.435 3.576 0 1 EHAF COc1cnc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1Cl 587064341 JJMDUSCTDNDGAV-UHFFFAOYSA-N 329.574 3.989 0 1 EHAF CCCCC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600994 DOZWNMPEMOVMNZ-PXNSSMCTSA-N 340.375 3.872 0 1 EHAF Oc1c(Br)ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 586903182 NXCISRFADSDIFC-GWCFXTLKSA-N 345.196 3.600 0 1 EHAF COc1ccc(OC(F)F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587384211 YSSYXMQGJNJOCK-INIZCTEOSA-N 349.333 3.894 0 1 EHAF COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 587637921 GQINLZZNXMFXEO-UHFFFAOYSA-N 329.739 3.973 0 1 EHAF CCS(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc(F)cc3)[nH]c2c1 587167954 BAPQSNJINUWAGW-NSHDSACASA-N 348.399 3.636 0 1 EHAF CCc1c(C(=O)O)c2cc(OC)ccc2n1Cc1ccc(OC)cc1 957986582 CJPKRGXSHSDVGH-UHFFFAOYSA-N 339.391 3.967 0 1 EHAF O=S(=O)(c1ccc(Cl)cc1)n1c(Cl)nc2ccccc21 1857638266 LDUSWFHFZOAOFW-UHFFFAOYSA-N 327.192 3.580 0 1 EHAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)[C@@H]1C(C)(C)C(=O)CC[C@@]21C 14719601 VIRHHCMHBQFERA-QUCCMNQESA-N 346.423 3.689 0 1 EHAF biogenic,in-vitro CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cn2)ccn1 1857771079 OZMSMXIUMHBELF-UHFFFAOYSA-N 347.353 3.784 0 1 EHAF NC(=O)N(O)CC1=Cc2cc(Oc3ccc(F)cc3)ccc2OCC1 18052 VVFSNVDQMPEADJ-UHFFFAOYSA-N 344.342 3.554 0 1 EHAF CC(C)CN(CCNC(=O)c1csc2c1CCCC2)CC(C)C 6805797 FJSFMKPMOJDAIN-UHFFFAOYSA-N 336.545 3.971 0 1 EHAF Clc1ccc2c(NCCNc3nccc(Cl)n3)ccnc2c1 103260160 UIWMLBZNTFDFMP-UHFFFAOYSA-N 334.210 3.856 0 1 EHAF CO[C@]1(C)C[C@@]23CC[C@H]4[C@](C)([C@@H](O)CC[C@@]4(C)C(=O)O)[C@@H]2C=C[C@H]1C3 2356332802 JMCDUBQYQMSCGT-ZGSZLCPPSA-N 348.483 3.636 0 1 EHAF COc1ccc(-c2nn(-c3ccccc3)cc2Cn2ccnc2)cc1 10809716 CZOCKHTYPCJURT-UHFFFAOYSA-N 330.391 3.793 0 1 EHAF CC(C)(CNC(=O)c1cncc(-c2ccccc2)n1)c1ccccc1 28882362 PSAUKWPYCMUYSP-UHFFFAOYSA-N 331.419 3.851 0 1 EHAF COc1ccc2cc(CC[C@H](C)[C@@H]3SC(=O)NC3=O)ccc2c1 26656267 LTWRJTXVTNEKPC-ZBEGNZNMSA-N 329.421 3.769 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3ccccc3CC[C@H]21 117428730 LDXJDJWFSSSGPR-FXAWDEMLSA-N 331.419 3.898 0 1 EHAF CCCNC(=O)[C@]1(C)CCCN(C(=O)c2oc3ccccc3c2C)C1 61930239 YRVIGHNZGTUUGF-HXUWFJFHSA-N 342.439 3.510 0 3 EHAF CN1CC[C@@]23C1=Nc1ccccc1[C@@]21CCN(C)C1=Nc1ccccc13 1656842 SNXAFBQZJGRMKH-FGZHOGPDSA-N 342.446 3.621 0 1 EHAF biogenic C[C@]12C=CC(=O)C=C1[C@@H](CC=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 36471303 ZZWIVTZHEAIWFH-QAXSQSOOSA-N 326.436 3.679 0 1 EHAF CCCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCCC1 35899742 VYBNBPACLNMCHY-UHFFFAOYSA-N 328.456 3.915 0 1 EHAF CC1(C)C=Cc2c(ccc3c2O[C@H](O)[C@H]2c4ccc(O)cc4O[C@@H]32)O1 14954405 YTPKRSILLIAZAA-WDSOQIARSA-N 338.359 3.505 0 1 EHAF biogenic O=C(C1=N[C@@H](c2c[nH]c3ccccc23)CN1)c1c[nH]c2ccccc12 13885708 UUMCZZRLMTYDAM-GOSISDBHSA-N 328.375 3.575 0 1 EHAF biogenic Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(OCC2CC2)cc1 225952581 MWJQMQXBUJYTHO-UHFFFAOYSA-N 349.390 3.636 0 1 EHAF COc1cc(OC)c2c(OC(=O)c3ccccc3F)ccnc2c1 45300274 OEICNPYBPCPUTO-UHFFFAOYSA-N 327.311 3.610 0 1 EHAF C[C@]12CC[C@H]3[C@H](CCC4=C[C@H](NC(N)=O)CC[C@@]43C)[C@H]1CCC2=O 255263155 RQUJDLYPEZVGRT-VMGHMQSFSA-N 330.472 3.555 0 1 EHAF 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C[C@H]1CCCCN1C(=O)c1cc2c(=O)n(C)c3ccccc3c2s1 6771885 FXFKWVWQGHIXRY-LBPRGKRZSA-N 340.448 3.768 0 1 EHAF C[C@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CCc1ccccc1 101187664 RUMQBVLWLNKHTD-JFJYTDJESA-N 348.490 3.552 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@@H]3OC(=O)C(C)=C3C[C@@]2(C)[C@@H]1C 2356578880 KBPMNOLIWDLUPI-JPUXWFAOSA-N 330.424 3.873 0 1 EHAF CC=C(C)C(=O)O[C@@H]1[C@@H]2CO[C@H](O)[C@@H]2[C@@]2(C)C(C)(C)CCC[C@]12C 2356680145 WYCGITBNEASEQG-OMYYQHHGSA-N 336.472 3.682 0 1 EHAF CCNC(=O)[C@]1(C)CCCN(Cc2ccc(-c3ccccc3)o2)C1 61905770 MCJLDLJJLMOMOS-HXUWFJFHSA-N 326.440 3.685 0 3 EHAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)Nc3c(C)cccc3C)C[C@H]12 74378277 CMBRBMRAWOSLOH-ZWKOTPCHSA-N 349.434 3.879 0 3 EHAF COCCN1C(=O)COCc2cc(-c3cc4ccccc4o3)ccc21 74375814 UXDPDEOGUVKFMI-UHFFFAOYSA-N 337.375 3.609 0 3 EHAF FC(F)(F)c1ccccc1C[C@H](c1ccccc1)N1CCNCC1 36093215 MQGLAASXHMCXDS-GOSISDBHSA-N 334.385 3.894 0 1 EHAF CC(=O)N[C@@H]1[C@H]2CC(C)=C[C@H]1Cc1nc3cc(Cl)ccc3c(N)c12 195199806 SRBWAIWJMGLCDO-KLRAXDNASA-N 341.842 3.581 0 1 EHAF COC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C)nc1 143232824 AQLKYCITPJVXMD-UHFFFAOYSA-N 342.326 3.550 0 1 EHAF CCN(C(=O)c1ccccc1OCc1ccccc1)[C@@H]1CC[C@@H](N)C1 96940031 DYRQQRKOTMEQHY-QZTJIDSGSA-N 338.451 3.608 0 1 EHAF Cc1ccc(-c2cnc(C3(NCc4cnn(C)c4)CCCC3)[nH]2)cc1 473094729 VWRWNNAPCOOXIS-UHFFFAOYSA-N 335.455 3.678 0 1 EHAF O=C(NCCc1nc(-c2ccccc2F)cs1)c1cccs1 653840574 ACULFBMBJSPMCN-UHFFFAOYSA-N 332.425 3.983 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(s1)C[C@@H](C)CC3)O2 587414646 NYNDZRGENDXAQY-BJOHPYRUSA-N 328.437 3.865 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)OCO3)CC2=O 587484555 GVFWWAWALYCMAA-FQEVSTJZSA-N 340.375 3.954 0 1 EHAF COc1cc(-c2nc3cncc(Cl)c3[nH]2)nn1-c1ccccc1F 587157115 WFRGFPJSAXHDDT-UHFFFAOYSA-N 343.749 3.612 0 1 EHAF CCOc1n[nH]c(-c2nc3ccc(Br)cc3[nH]2)c1Cl 587065572 UNOUWTVPIAGLQR-UHFFFAOYSA-N 341.596 3.768 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(C)ccc4nc1O)[C@@H](C2)C3=O 587436073 LHTBHJOYNNHHOI-VBKZILBWSA-N 347.370 3.746 0 1 EHAF COc1ccc2c(c1)CCC=C2Cc1nc2cc3c(cc2[nH]1)OCCO3 587935088 PABWBPMGYIOVNM-UHFFFAOYSA-N 348.402 3.915 0 1 EHAF Oc1cccc2c1OCC(c1nc3cc(Br)ccc3[nH]1)=C2 586909213 USTJZZUMXYQMLO-UHFFFAOYSA-N 343.180 3.964 0 1 EHAF Nc1c(-c2nc3c(F)cnc(Cl)c3[nH]2)cnc2c(F)cccc12 587176805 SJTGEZXBBVAGFW-UHFFFAOYSA-N 331.713 3.687 0 1 EHAF CC[C@@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587814559 UJBYASSDPFRJNZ-PSLIRLAXSA-N 328.225 3.707 0 1 EHAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(C(N)=O)cc2[nH]1 587950553 CSSUEPVKIPZEIC-LBPRGKRZSA-N 331.375 3.955 0 1 EHAF Nc1ccc(F)c(Cc2nc3cc(Br)c(F)cc3[nH]2)c1 587141660 ZDPWCNVVAJIOAB-UHFFFAOYSA-N 338.155 3.777 0 1 EHAF CCO[C@@H](C)c1nc(C)c(-c2nc3cccc(C(=O)OC)c3[nH]2)s1 587014751 PQKKIXAFCKQNGS-JTQLQIEISA-N 345.424 3.879 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCCCc4cc(N)ccc41)[C@@H](C2)C3=O 587426948 BMJQZWGTYZVQSW-UWJYYQICSA-N 335.403 3.647 0 1 EHAF CC[C@]1(c2c(C)[nH]c3ccccc23)NCCc2nc3ccccn3c21 962988262 XQGMXCOLFUGYKH-OAQYLSRUSA-N 330.435 3.923 0 1 EHAF CSc1ccc([C@]2(C(C)(C)C)c3nn(C)cc3CCN2C)cc1 963956035 UIDXGJWIKUXGGZ-LJQANCHMSA-N 329.513 3.920 0 1 EHAF COc1ccc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)cn1 1772636135 REAGKCPEIZRMQR-OAHLLOKOSA-N 340.404 3.820 0 1 EHAF CC(C)n1cnc2c(NCc3ccccc3Br)ncnc21 13538229 ORNOLVOJUXTWQT-UHFFFAOYSA-N 346.232 3.782 0 1 EHAF C[C@]12OCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(O)cc13 169347129 XOZAXMMYGWQNQM-NJYVYQBISA-N 327.468 3.630 0 1 EHAF CC(C)N1C[C@H](F)[C@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 2356342731 FMEKQHYLCPHZRQ-SMDDNHRTSA-N 345.340 3.529 0 1 EHAF COc1cc2c(c(O)c1C(C)C)CC[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C 59297709 DRRKGPWOHIAOQU-MAODMQOUSA-N 346.467 3.706 0 1 EHAF OC1CCN(C2=Nc3ccccc3Cn3c2cc2ccccc23)CC1 53147273 VSPLNICDGXMJGW-UHFFFAOYSA-N 331.419 3.538 0 1 EHAF Cc1ccc([C@H]2CC3CCC2CC3)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26834164 JLQQCFATUIPBTG-ILEACXBISA-N 331.456 3.547 0 1 EHAF COc1c(Cl)cc(C(C)=O)c(O)c1C/C=C(\C)CCC(=O)O 27631839 CJLZDSNKIDQSTJ-RUDMXATFSA-N 326.776 3.610 0 1 EHAF CCCCCOc1ncccc1[C@H](O)C/C=C/CCCC(=O)OC 28525704 BJQATQHPNWIWFJ-QQOXCAACSA-N 335.444 3.974 0 1 EHAF COc1ccc(C(=O)OCC=C(C)C[C@H](O)C=C(C)C)cc1OC 2356537788 GNWZNLFPIZUSIZ-MRXNPFEDSA-N 334.412 3.524 0 1 EHAF CC[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356608622 RFTIRMPAYWBDKJ-RWTCHILISA-N 334.500 3.566 0 1 EHAF Cc1noc(/C=C/c2ccccc2OC[C@H](O)CNC(C)(C)C)c1C 29239182 ZBYCHQJNNCJNJD-SXSDINLZSA-N 344.455 3.590 0 1 EHAF C[C@@H]1CO[C@]2(C)Oc3cc4c(cc3C[C@H]12)C[C@@H]1[C@@H](C)CO[C@]1(C)O4 2356645824 GKWTWWJVLKOABN-MYXHIQCLSA-N 330.424 3.554 0 1 EHAF CC(=O)c1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 28394421 ZUBCBZXHDHERBN-UHFFFAOYSA-N 341.374 3.594 0 1 EHAF Nc1sc2cnccc2c1C(=O)c1ccc(Br)cc1 40753199 GVSLKBHPYXGRDZ-UHFFFAOYSA-N 333.210 3.872 0 1 EHAF C[C@H](Nc1ncc(F)c(N2C(=O)O[C@@H](C)C2(C)C)n1)c1ccccc1 142097518 PEUIRDUDCOCYJB-RYUDHWBXSA-N 344.390 3.913 0 1 EHAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccccc3)ccc12 96905947 NTLBTYGEJKWRLJ-IBGZPJMESA-N 336.416 3.615 0 1 EHAF CC(C)Sc1nnc(COc2cccnc2)n1-c1ccccc1 95597805 CNWZXNVUMPEQMV-UHFFFAOYSA-N 326.425 3.742 0 1 EHAF C[C@H](O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255209639 FOTMUZAAVBPQAN-GBZBPLOGSA-N 336.516 3.502 0 1 EHAF CN1CC[C@@H](C(=O)c2cncc(-c3ccc(Cl)cc3Cl)c2)C1=O 653717579 YNUSYDOIQWDZLI-AWEZNQCLSA-N 349.217 3.716 0 1 EHAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Cl)cnc2[nH]1 587107411 AECICCYVLZTSLQ-UHFFFAOYSA-N 341.676 3.995 0 1 EHAF Cc1ccc(Cc2nc3cccc(C(N)=O)c3[nH]2)cc1C(F)(F)F 587095602 MFJNJBMUIUAUGS-UHFFFAOYSA-N 333.313 3.580 0 1 EHAF OCCc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232375 RWRMDABVNFTBRK-UHFFFAOYSA-N 347.418 3.648 0 1 EHAF C[C@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357388 NMLQNYNCDQDVKV-FOPRYUNUSA-N 342.366 3.828 0 1 EHAF COc1ccc(C)cc1C(=O)CCc1nc2cc(F)c(F)cc2[nH]1 587788115 WNTJJXDHKHAPCC-UHFFFAOYSA-N 330.334 3.974 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCOC2)N1 587835497 PEJRYXSGZUSJGK-SIVJFFJCSA-N 342.252 3.764 0 1 EHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cnc3ccccc3c2[nH]1 587042976 OGDAGZJZIWUIIX-CQSZACIVSA-N 340.452 3.731 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ncccn4)cc1)[C@@H](C2)C3=O 587436322 NVHKENRYOLPULS-OXJNMPFZSA-N 344.370 3.641 0 1 EHAF OCC12CCC(c3nc4cc(Cl)c(Cl)nc4[nH]3)(CC1)CC2 586895746 WWIRNHCOFILXHU-UHFFFAOYSA-N 326.227 3.849 0 1 EHAF COc1ccc2sc(-n3ncc4ccc(Cl)cc4c3=O)nc2c1 587653188 FAMIQEOPSHBOHX-UHFFFAOYSA-N 343.795 3.657 0 1 EHAF CC1(C)CCO[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616660 LQUHMKCTGXHHQY-ZYSHUDEJSA-N 340.375 3.538 0 1 EHAF COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1C 587076843 WUCMXYSKRCJNFD-UHFFFAOYSA-N 339.786 3.781 0 1 EHAF Fc1cc(Br)cc(-c2nc3nc(Cl)c[nH]c-3n2)c1 587161180 MMHYERCFMRTMTQ-UHFFFAOYSA-N 327.544 3.527 0 1 EHAF CC(=O)C(C)(C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809668 IYFQLLQQTBEKBY-FVMDXXJSSA-N 342.252 3.953 0 1 EHAF Cc1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587084542 CFLHIAHCNVRVQP-UHFFFAOYSA-N 327.819 3.699 0 1 EHAF CN(C)[C@H]1CCC[C@@]2(C1)c1ccsc1CCN2Cc1cccn1C 962371715 HKIBKQIVPIAOHM-OXJNMPFZSA-N 343.540 3.844 0 1 EHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H]([C@@H]2C[C@H]2c2ccccc2)N1 963222403 KNIUKJDLBARZQX-JHOJWFKBSA-N 344.414 3.679 0 1 EHAF Cc1ccnc2c1CCN[C@@H]2c1cc2cc(Br)cnc2o1 963064732 CJBQKAVYXJWKSB-OAHLLOKOSA-N 344.212 3.529 0 1 EHAF COc1cccc2cc3c(nc12)[C@H](c1cccc(O)c1Cl)NCC3 963059254 PZCSBTZJCWJFSQ-IBGZPJMESA-N 340.810 3.838 0 1 EHAF O=C1C[C@@H](c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2 169347277 SSVPEPVAUZOGFB-MRXNPFEDSA-N 340.854 3.549 0 1 EHAF C[C@H]1CCCC(=O)[C@@H](C)CC/C=C\c2cc(O)cc(O)c2C(=O)O1 169368825 UUJWDQDIRVJCGT-PRHJHPOWSA-N 332.396 3.826 0 1 EHAF O=c1c2cn[nH]c2c2ccc(-c3ccccn3)cc2n1CC(F)(F)F 204958397 DFBCTHRFQFEYOJ-UHFFFAOYSA-N 344.296 3.502 0 1 EHAF CN1CCN(c2ccc(Nc3cc(-c4cccs4)[nH]n3)cc2)CC1 1857574098 HQSFEKLGTJQIPZ-UHFFFAOYSA-N 339.468 3.634 0 1 EHAF CC1=CC[C@H]2CCC3=C(C2(C)C)[C@](O)(C[C@@H](C)CC(=O)C1)OC3=O 2356383652 SQWYOIGSEWYOLB-YRVVQQKDSA-N 332.440 3.690 0 1 EHAF C[C@@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@H]2CC[C@H](C1)N2C 102929330 IIKHDOHLMOEJTH-MRVWCRGKSA-N 339.888 3.989 0 1 EHAF CN(CC[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)CC(=O)O 26167002 PJRFSDCLRQRPCM-QGZVFWFLSA-N 333.815 3.867 0 1 EHAF c1ccc(-c2cc3nc(NCc4ccc5c(c4)OCO5)ccn3n2)cc1 61902747 CFOXJOOKHPLBIC-UHFFFAOYSA-N 344.374 3.737 0 3 EHAF CCC=CCC=CC[C@@H]1OC(=O)CCCC=CC[C@H](O)C=C[C@H]1O 2356663099 STBQZNSMPFUZOI-OTWHNJEPSA-N 334.456 3.609 0 1 EHAF CCC[C@H](CC1(NC(=O)C2Cc3ccccc3C2)CCCC1)C(=O)O 35845968 BCZSKNIKZJRWIB-QGZVFWFLSA-N 343.467 3.721 0 1 EHAF O=C(Nc1ccc2c(c1)OCCO2)Nc1ccnc2c(F)cccc12 71333853 GKIPNFDEZBYGMM-UHFFFAOYSA-N 339.326 3.789 0 1 EHAF CC(C)C(=O)CC[C@H](C)[C@@H]1CC[C@@H](CO)c2c(O)cc(C(=O)O)cc21 15116887 PDZOLODXNDMEHY-YDHLFZDLSA-N 348.439 3.685 0 1 EHAF biogenic Cc1ccc([C@H]2SCC(=O)N2c2ccc3c(C)cc(=O)[nH]c3c2)o1 96905435 IDHOKCIPMOIEAK-GOSISDBHSA-N 340.404 3.517 0 1 EHAF CCOc1ccccc1-c1cccc(-c2nc3cnnc(O)c3[nH]2)c1 587779855 GYPCDEGWZDIZKU-UHFFFAOYSA-N 332.363 3.791 0 1 EHAF Cc1cc2c(n1-c1n[nH]c(-c3ccccc3F)n1)CC(C)(C)CC2=O 587946268 TXVCAPAQMSDJLT-UHFFFAOYSA-N 338.386 3.865 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(OC)c2[nH]1 586916076 JOUZKVOBBYHGPS-XOBRGWDASA-N 336.391 3.788 0 1 EHAF CCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587578031 PQQVMAMXAKYTFK-PXNSSMCTSA-N 335.359 3.917 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccnc(Cl)c1Cl)[C@@H](C2)C3=O 587418120 AVMSTDODYXELMI-ZUZCIYMTSA-N 336.174 3.886 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(C)(C)O)nc1)CC2=O 587484872 GTPZXCPLKBATMU-KRWDZBQOSA-N 341.407 3.674 0 1 EHAF COc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1F 587233904 WMGSLMOZCIHCAU-JQWIXIFHSA-N 349.406 3.871 0 1 EHAF COc1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 587117710 VILHVRWWOKNDBA-UHFFFAOYSA-N 330.697 3.644 0 1 EHAF CCS(=O)(=O)c1cccc(Cc2nc3cccc(Cl)c3[nH]2)c1 586922552 PPBSQYOOKBCEJN-UHFFFAOYSA-N 334.828 3.601 0 1 EHAF COc1ccccc1N1C(=O)[C@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O 13147100 DFGBJOCJIRNYHE-RQQUZUBOSA-N 347.414 3.624 0 1 EHAF CC(C)(O)C1=C[C@]2(O)CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 13480955 VBEKTMIFJPKWJA-PYIJOLGTSA-N 336.472 3.516 0 1 EHAF CCCCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O 15257085 DTUNXJRSMOTKGD-QGZVFWFLSA-N 336.428 3.805 0 1 EHAF biogenic,in-vitro CCOC(=O)[C@@H]1C(=N)Oc2ccc3ccccc3c2[C@@H]1c1cccnc1 169730678 LNWKDUHNZZCLBZ-HKUYNNGSSA-N 346.386 3.916 0 1 EHAF CCOC(=O)[C@H]1C(=N)Oc2ccc3ccccc3c2[C@@H]1c1cccnc1 169730679 LNWKDUHNZZCLBZ-PKOBYXMFSA-N 346.386 3.916 0 1 EHAF C[C@H]1[C@@H](NC(=O)C2CCCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711317 DOJNREOPLYXXRP-CNTRQJEFSA-N 346.515 3.643 0 3 EHAF COc1cc(C(=O)NCc2ccccc2Cl)ccc1-c1cn[nH]c1 209318067 MKOLBFDKJXCKJK-UHFFFAOYSA-N 341.798 3.669 0 1 EHAF Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@@H](C)CNC4=O)cc1 28902111 MEILYTFCNYTEMN-LBPRGKRZSA-N 333.391 3.576 0 1 EHAF Cc1ccc2c(c1)O[C@@H]1O[C@]3(CC[C@]21O)c1ccc(C)cc1O[C@H]3C 2356417411 AGFAYIPDDGSEBN-MGNXDGSBSA-N 338.403 3.696 0 1 EHAF CCC[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5cccc(O)c45)C(=O)C1)[C@H]32 27899610 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C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)nc2)N1 587740985 ZYDFNTKHYXPVKV-ANRSDYALSA-N 339.183 3.746 0 1 EHAF CCCCC1CCC(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CC1 586884326 MXOPIUCWQGGLNZ-UHFFFAOYSA-N 335.473 3.674 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC)n1)CC2=O 587483971 FTJWPRXCGGXJJL-KRWDZBQOSA-N 327.380 3.845 0 1 EHAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(Br)c(F)c2[nH]1 587961483 GEASOHPVDIYITO-JGVFFNPUSA-N 325.181 3.622 0 1 EHAF O=C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347923 BONPXMYMBNYEBY-GOSISDBHSA-N 340.350 3.772 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Cl)c(N)cc31)O2 587378352 BLZHCXTUNKSVCT-SFHVURJKSA-N 328.799 3.620 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCO[C@@H](F)C2)[C@@H]1c1ccc(F)cc1 587340737 VROIYFUAHADJNQ-LMMKCTJWSA-N 346.329 3.735 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2)N1 587833744 PCEOTWWERROTAA-FVMDXXJSSA-N 336.204 3.917 0 1 EHAF C[C@@H]1CCC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356829 SAAGEMGCENFADT-TZFGQJNGSA-N 340.350 3.628 0 1 EHAF CC(=O)Nc1cccc(C(=O)Cc2cc3c4c(cccc4n2)CC3)c1 587212932 MWGIWZGYKFAOAF-UHFFFAOYSA-N 330.387 3.717 0 1 EHAF O=C1CCc2cc3nc(CNc4ccccc4Cl)[nH]c3cc2N1 587061328 DPYXKDKMZZDOCY-UHFFFAOYSA-N 326.787 3.713 0 1 EHAF Cc1cc2c(cc1F)[C@@H](c1csc(-c3ccncc3)n1)NCC2 962090306 IGYKJSMQNRBFSD-KRWDZBQOSA-N 325.412 3.888 0 1 EHAF C[C@@H]1C[C@H]2C[C@]3(C[C@H]2C1)c1c(Cl)ccc2c1CCN3[C@H]2C(=O)O 962575811 SHRSMTVWHKDLGE-ICXRUXMDSA-N 331.843 3.989 0 1 EHAF CC(=O)CC[C@H](/C=C/[C@@](C)(O)C/C=C/[C@@]1(C)CCC(=O)O1)C(C)C 14501529 NONYMPHQXUGMIU-KSKXORJASA-N 336.472 3.977 0 1 EHAF CC(=O)Nc1ccc2c(c1)[C@H](c1[nH]c3ccccc3c1N=O)C(=O)N2 169722495 JGKMVFDNLDMZCI-OAHLLOKOSA-N 334.335 3.608 0 1 EHAF Cc1cc2c(s1)c(=O)[nH]c1ccc(O)c(-c3ccc(CN)cc3)c12 164931808 YLOILQKJJQZBAK-UHFFFAOYSA-N 336.416 3.883 0 1 EHAF O=C(NCc1ccncc1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 167412554 LASWVMLMPSJUTO-UHFFFAOYSA-N 346.365 3.694 0 1 EHAF CC(=O)C(=O)N(c1ccccc1C(=O)O)c1cccc2ccccc12 103211257 FPZKEUFUSLQLTH-UHFFFAOYSA-N 333.343 3.792 0 1 EHAF CNc1nc(NCCCN(C)C)c2cc(-c3ccccc3)sc2n1 103263056 SAQWQKKZCNUSDZ-UHFFFAOYSA-N 341.484 3.764 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)Cc3occ(C)c3C[C@@]2(C)[C@@H]1C 2356647279 GXUMIIXHSIMDQI-NLCWTHGUSA-N 332.440 3.732 0 1 EHAF CCC(=O)Nc1cccnc1SC[C@@H]1CCCN2CCCC[C@@H]12 2356729485 KNOFQEOCUDMJBE-HOCLYGCPSA-N 333.501 3.787 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3ccsc3)cc1)N2 36271331 BFMOQGLGYMZXPC-BDXSIMOUSA-N 327.449 3.812 0 1 EHAF C[C@]12C=CC(=O)N[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]21CCCO1 34801319 PJPLXNAOJADMRD-CDTADNOUSA-N 329.484 3.833 0 1 EHAF COC(=O)CNCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 71319040 RRIUPMQUTAUSKI-UHFFFAOYSA-N 342.826 3.606 0 1 EHAF CC1=C2C[C@H](O)/C(C)=C/CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1=O 38287377 RBYVYDNIAHQGRU-MLUCLQQPSA-N 332.440 3.603 0 1 EHAF Clc1cccc(N2CCN(Cc3coc(-c4ccco4)n3)CC2)c1 72185854 AXNCGSVTEFAHEB-UHFFFAOYSA-N 343.814 3.910 0 1 EHAF CC[C@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2cccc(C)c2)n1 82147656 MLFRFQCJDOGTNL-AWEZNQCLSA-N 326.444 3.754 0 1 EHAF COc1ccc(SC[C@H](O)Cn2ccc3ccccc32)c(OC)c1 84690727 GJQZBLWTGNJYIB-OAHLLOKOSA-N 343.448 3.812 0 1 EHAF O=[S@](c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 143517792 QVAJKLQSNTZUMP-QFIPXVFZSA-N 331.824 3.899 0 1 EHAF Cc1noc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)n1 144770025 SQYMIZSBDGJMHO-MRXNPFEDSA-N 332.281 3.824 0 1 EHAF O=C1c2ccc(O)cc2O[C@@]2(CCCCC2=O)[C@@H]1c1ccc(F)cc1 587351553 KDCYUVLZJZCTKH-UYAOXDASSA-N 340.350 3.772 0 1 EHAF CCc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 587956944 NAHIXZOFOLPWRV-UHFFFAOYSA-N 347.418 3.826 0 1 EHAF Cc1cc2c(Br)ccc(-c3nc4ncc[nH]c-4n3)c2o1 587002734 CTEKJZKJIDUWNF-UHFFFAOYSA-N 329.157 3.789 0 1 EHAF COc1ncc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587376972 FBBGXXGVMLLEIV-QGZVFWFLSA-N 332.787 3.515 0 1 EHAF Cc1cnc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 587127062 LHHIZNPZUYRLEZ-UHFFFAOYSA-N 333.273 3.708 0 1 EHAF COc1cncc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 587070208 QPTJBRJIVKXXJV-SNVBAGLBSA-N 329.787 3.996 0 1 EHAF C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589578 VSGFECRJWBLPRI-PXNSSMCTSA-N 333.343 3.664 0 1 EHAF N=c1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c[nH]1 587016318 VAZPZEZZLAFGLT-UHFFFAOYSA-N 327.800 3.814 0 1 EHAF COc1cc(Cl)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC 587376431 CKXNNOJFPRREJR-HNNXBMFYSA-N 347.798 3.954 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCc4ccc(Cl)cc41)[C@@H](C2)C3=O 587422040 OZFHYBDINRUQBR-HNAYVOBHSA-N 326.779 3.938 0 1 EHAF CCc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1Br 586977368 MBCZSADOQOKZCB-UHFFFAOYSA-N 337.608 3.950 0 1 EHAF CCCC(Br)(CCC)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586970198 BOWJELMOJRJVJV-UHFFFAOYSA-N 346.660 3.561 0 1 EHAF Cc1nccc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 587017272 IPSICBYJCGZVCT-UHFFFAOYSA-N 334.404 3.992 0 1 EHAF CCC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356793 RWHRCQGATUMYLA-IEBWSBKVSA-N 328.339 3.628 0 1 EHAF NC1=COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587508814 FMQGBDKKEKTCNL-NRFANRHFSA-N 333.387 3.619 0 1 EHAF O=c1ccc2cc(-c3nc4cnc(C(F)(F)F)cc4[nH]3)ccc2o1 586919072 YUUBYQLDFCYVCM-UHFFFAOYSA-N 331.253 3.750 0 1 EHAF CN1C(=O)C[C@H]2CN[C@@H](C(C)(C)Oc3ccccc3)c3cccc1c32 963020216 GCWRFZMTRFQURI-VBKZILBWSA-N 336.435 3.639 0 1 EHAF COC(=O)CCCCN[C@]1(c2ccccc2Cl)CCCCC1=O 205381033 QFFBIIVCZDWTKZ-SFHVURJKSA-N 337.847 3.611 0 1 EHAF COc1cccc(-c2n[nH]c(Cc3cccc(Br)c3)n2)c1 13589624 AMTQODPEYYUGIN-UHFFFAOYSA-N 344.212 3.834 0 1 EHAF Cc1cc(Cl)cc2c1N[C@H](c1c[nH]nc1-c1ccccc1)NC2=O 1857631429 DEMBTDVKDCOCSF-KRWDZBQOSA-N 338.798 3.893 0 1 EHAF CN1CC[C@H](c2nc(-c3ccc(F)cc3)c(-c3ccncn3)s2)C1 1857655641 BIHKCUWDBJCQIY-ZDUSSCGKSA-N 340.427 3.825 0 1 EHAF Cn1c(-c2ccccc2)cn(C2CCN(Cc3ccccc3)CC2)c1=O 19662 MXJQVJALKSFQKU-UHFFFAOYSA-N 347.462 3.691 0 1 EHAF COc1cc(NC(C)=O)c2[nH]c3c(C)cc(NC(C)=O)c(C)c3c2c1 1633043 OFMXWGJZUZJJPJ-UHFFFAOYSA-N 339.395 3.863 0 1 EHAF Cc1nn(C(=O)CCCC(=O)NC2CCCCC2)c2ccccc12 6768578 OVCJQPLQVOQJIK-UHFFFAOYSA-N 327.428 3.604 0 1 EHAF CC1CCC(NC(=O)CCCn2sc3ccccc3c2=O)CC1 6800178 HPFBAMZJMOXBJI-UHFFFAOYSA-N 332.469 3.538 0 3 EHAF C[C@H]1C[C@@H](C)[C@](O)(COC(=O)Nc2ccc(Cl)cc2)O[C@@H]1C 27656412 IKLCELXNALXBEU-LGSVPQMISA-N 327.808 3.658 0 1 EHAF COc1ccc([C@@H](C)Cn2ccnc2O)cc1O[C@@H]1C[C@@H]2CC[C@@H]1C2 100906547 GWUQKOQGKGTLBN-GARXJVFOSA-N 342.439 3.968 0 1 EHAF O=[S@](C[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12)c1ccccc1 27884191 HTVFYUVEJALYGO-FBLLAGFSSA-N 345.467 3.938 0 1 EHAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)c1ccc(Cl)cc1)C2 101323946 ORCABDYHKMFFSB-AWEZNQCLSA-N 330.767 3.595 0 1 EHAF O=C(O)CCCC(=O)NCc1ccc(CCCc2ccccc2)s1 26850086 JYQPADJNMOJJFK-UHFFFAOYSA-N 345.464 3.795 0 1 EHAF CN1OC[C@@H]2CN[C@H](c3ccc(-c4cc5ccccc5o4)cc3)C[C@@H]21 61924045 UZQJBUXVAXUKCN-FHWLQOOXSA-N 334.419 3.996 0 3 EHAF N[C@H]1CCc2c(Br)ccc(-c3ccccc3)c2CC1=O 72141470 XFZZDIHCNHYESF-INIZCTEOSA-N 330.225 3.501 0 1 EHAF in-vitro COCC1=C2[C@@H](CC1)[C@@H](C)[C@@H](O)CC1=C(C(C)C)CC[C@]1(C)[C@H]2O 1911579326 YLZAEWRGYUZTPZ-IDXWEEHESA-N 334.500 3.854 0 1 EHAF CC(C)(C)OC(=O)N1CC[C@@H]2CCN(CCc3ccccc3)C[C@@H]21 199267583 ZXPAKNNNSOJNPO-ROUUACIJSA-N 330.472 3.560 0 3 EHAF CC[C@@H](C)Nc1ncc(C(=O)NCC2CC2)c(-c2ccc(F)cc2)n1 82140198 GXQDZFPHMVUIJL-GFCCVEGCSA-N 342.418 3.633 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@H]2C(=O)CC[C@H](C)[C@@]12C 238756565 XYAOXXDJOGJSPN-ROGSYPLPSA-N 346.423 3.807 0 1 EHAF CC(=O)[C@H]1[C@H](O)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255209108 FGDFFHLIMDMCJI-JWBYDEKJSA-N 334.500 3.566 0 1 EHAF O=C1c2cc(COc3ccccc3)nn2CC[C@H]1c1ccc(F)cc1 299838174 LURXPGSUEHDSPD-SFHVURJKSA-N 336.366 3.971 0 1 EHAF Cc1nc2ccc(O)c3c2c(c1[C@H](C)C(=O)O)-c1ccccc1C3=O 586989818 FPCRPTSVXAHFES-VIFPVBQESA-N 333.343 3.648 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3ccnc3)c(F)c1)O2 587385334 NBJJYDHBDFZHML-SFHVURJKSA-N 337.354 3.609 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1CC(=O)OCC)CC2=O 587485478 WTWYBSVDHNZKLT-RBZFPXEDSA-N 346.423 3.802 0 1 EHAF Cn1c(=O)oc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587518666 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336.387 3.899 0 1 EHAF CC[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813062 MRZAEHMLDAYPJD-VYROHLMNSA-N 342.252 3.953 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](COC2CCC2)N1 587807919 FIYKOTAROIKGDU-RNCFNFMXSA-N 328.225 3.733 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)O)cc1)CC2=O 587492686 YBBPZWBXMJOCHR-HXUWFJFHSA-N 340.375 3.924 0 1 EHAF CS(=O)(=O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587968984 XKWVSPOVFPHAMR-UHFFFAOYSA-N 342.464 3.806 0 1 EHAF COc1ccc(-c2nc3cc(Br)cnc3[nH]2)c(OC)c1C 587788126 PZUYBCJKPQBQTC-UHFFFAOYSA-N 348.200 3.713 0 1 EHAF COC(=O)[C@]1(c2ccccc2)CCc2nc3cccc4c3c(c2C1)CC4 587214599 SYQPNZSBIIMZRU-HSZRJFAPSA-N 343.426 3.933 0 1 EHAF COc1cc2c(cc1O)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C 685935759 CXZSMUPWCVAGRO-XTZNXHDOSA-N 346.379 3.664 0 1 EHAF biogenic,in-vitro CCC[C@]1(c2sccc2C)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963490510 KHCILSLAUFKHFQ-KXBFYZLASA-N 345.464 3.713 0 1 EHAF O=C(O)c1cccc2c1CCN[C@@H]2c1c(Cl)cc(O)cc1Cl 963122417 MYGRXUSQSOLNRT-HNNXBMFYSA-N 338.190 3.632 0 1 EHAF CCCCCOC(=O)C[C@]1(C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963613563 UYEKGHMTPZHDAV-VLIAUNLRSA-N 349.471 3.577 0 1 EHAF CCCC(=O)C[C@]1(C(=O)OCC)c2ccccc2C[C@@H](C)N1CCC 963241197 MKHUSCHKHAHJIH-IIBYNOLFSA-N 345.483 3.861 0 1 EHAF Cn1nc2c([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cccc2c1C=O 963113035 YQCNTNZRIWRRKT-YCRPNKLZSA-N 349.409 3.635 0 1 EHAF COc1ccc(N(CCN)C(=O)c2ccc(Cl)cc2Cl)cc1 1772570635 YMBGFTNZKIUUFS-UHFFFAOYSA-N 339.222 3.608 0 1 EHAF CCCCC[C@@H]1/C=C\[C@@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 169290114 BJXHXZDHQUYRMA-HMAAKBTMSA-N 334.456 3.731 0 1 EHAF COc1ccc2c(c1)CCN(CC[C@H](F)Cc1ccccc1)C[C@@H]2O 1857572190 QOXHLGKIGZMADX-RXVVDRJESA-N 343.442 3.558 0 1 EHAF O=C(Nc1nccs1)c1nn(Cc2ccccc2)c2ccccc12 1857614764 UFPQBZBMHMPZKX-UHFFFAOYSA-N 334.404 3.793 0 1 EHAF COC(=O)[C@]1(C=C2c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2CCCO[C@@H]21 1857622033 KAIRBWGUKDEUFM-SBULQUSNSA-N 346.398 3.515 0 1 EHAF CCOc1ccc(S(=O)(=O)Nc2ccccc2C)c2cccnc12 211225 HNLUGYHSIUQCLC-UHFFFAOYSA-N 342.420 3.743 0 1 EHAF CCOc1ccccc1C(=O)n1nc(N)c2cc3ccc(C)cc3nc21 4961910 PPZSULQACIGLPC-UHFFFAOYSA-N 346.390 3.562 0 1 EHAF COc1cccc(Cn2cccc2C2=N[C@H](CC(C)C)CO2)c1OC 6729573 RGYWMYAUUKLDRU-MRXNPFEDSA-N 342.439 3.745 0 1 EHAF I[C@]12N[C@H](Cc3ccccc31)c1ccccc12 26012928 DRAHQLWRVJHXLH-CABCVRRESA-N 333.172 3.523 0 1 EHAF Cc1cc(C)cc([S@@](N)(=O)=NC(=O)Nc2ccc(Cl)cc2)c1 102073970 AAWWKGYIKBRMPN-QFIPXVFZSA-N 337.832 3.890 0 1 EHAF O=c1cccc2n1C[C@@H]1C[C@@H]2CN(Cc2c(Cl)cccc2Cl)C1 104320230 WLNBVANUSJPCGE-CHWSQXEVSA-N 349.261 3.774 0 1 EHAF COC(=O)[C@@]12C=NC[C@]3(CCC1)[C@@H]2CC[C@@H]1[C@@H](C)c2ccoc2C[C@H]13 2356393505 LLVMHQOQVUMUSA-WMNMGWTKSA-N 341.451 3.996 0 1 EHAF CC1=C2CC/C(C)=C/CC[C@@]3(C)O[C@H]3CC[C@](C)(O)/C=C/2OC1=O 102827822 ISOHZXFJJWEPNL-ZSFQQDTKSA-N 332.440 3.953 0 1 EHAF CC(=O)N1c2ccccc2S[C@@H]1c1ccc(OCCN(C)C)cc1 28015463 PJGSERJMYIARGY-LJQANCHMSA-N 342.464 3.784 0 1 EHAF O=C(Nc1nccs1)c1c(C(F)(F)F)nc2ccccc2c1O 29238576 IQJZLNVSISHLNM-UHFFFAOYSA-N 339.298 3.668 0 1 EHAF CCC1(CC)OC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O 28824020 DXYLRKUHNVMPFT-JTQLQIEISA-N 328.334 3.828 0 1 EHAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)C3=C(CC[C@@H]21)CNC3=O 2356787223 BICKYNKDFFMMHJ-YJKZWKBDSA-N 331.456 3.520 0 1 EHAF CCCCC[C@H](O)C(C)(C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 2356811422 BOLGBOZCCGUULF-SJORKVTESA-N 347.455 3.544 0 1 EHAF COC(=O)CCCCCCCCCCC[C@@H]1CC[C@H](O)[C@@H](C)N1 14713223 ABGJANZYEDTCMW-KURKYZTESA-N 327.509 3.952 0 1 EHAF biogenic CC(C)c1cc2c(c(O)c1O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC2=O 14774359 BJDDFWYEMCOHPH-STXHMFSFSA-N 332.440 3.862 0 1 EHAF biogenic O=C(NCC1(O)CCCCCC1)c1cc(-c2cnoc2)ccc1Cl 72179471 XYMYWMOFIPIHCA-UHFFFAOYSA-N 348.830 3.810 0 1 EHAF CO[C@H]1Cc2sccc2C2(CCN(Cc3cccs3)CC2)O1 40430808 ORJHMTAOZUCXLX-MRXNPFEDSA-N 335.494 3.846 0 1 EHAF CCN(CC)C(C)(C)CNc1cc(C)c(-c2ccccc2O)nn1 84587390 HEWVAQVRDUUHIV-UHFFFAOYSA-N 328.460 3.690 0 1 EHAF CCOc1ccc(CCNc2nc(N3CCC[C@H]3C)ncc2C)cc1 82202487 VZVNUJCNRRSICP-MRXNPFEDSA-N 340.471 3.827 0 1 EHAF COc1ccc(C[C@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1F 45201423 WFFGGONSESBFEY-SJCJKPOMSA-N 337.822 3.742 0 1 EHAF CC1(C)CCN(c2ccc(C#Cc3cc(F)ccc3F)cn2)C(=O)O1 145530991 SEILVPFGLWFQSN-UHFFFAOYSA-N 342.345 3.885 0 1 EHAF c1ccc(CN2CCC(n3cnc4cnc5[nH]ccc5c43)CC2)cc1 95574162 WKWXJWGOAKGEEM-UHFFFAOYSA-N 331.423 3.750 0 1 EHAF in-vitro C[C@H]1CC[C@@H]2C(=O)O[C@H](C)CN2[C@H]1c1ccc(Br)cc1 253952924 UVNCKUCDEJMPKS-RBDSIQFVSA-N 338.245 3.536 0 1 EHAF C[C@H](CCCN1CCN(C)CC1)Nc1ccnc2cc(Cl)ccc12 299837934 SUYZCCHDUDHNJY-OAHLLOKOSA-N 346.906 3.716 0 1 EHAF Cc1nc(-c2ccc(C(=O)O)cc2)cc([C@@H]2CCCN(C(C)C)C2)n1 299850441 GFQBNCDTJFMWIX-QGZVFWFLSA-N 339.439 3.738 0 1 EHAF Cc1cccc(C(=O)Nc2cc(C3CC3)ccc2N2CCN(C)CC2)c1 653843487 GOMGKQRBWYCBAW-UHFFFAOYSA-N 349.478 3.877 0 1 EHAF O=C(NC12C[C@H]3CC(O)(C[C@@H](C1)c1ccccc13)C2)N1CCCCC1 653798386 IBXWPTCAJBWAPJ-XBLGPDGASA-N 340.467 3.511 0 1 EHAF O=C(/C=C/c1nc2c(F)c(F)c(F)c(F)c2[nH]1)Nc1ccccc1 587243948 KOJZRHZRPNAKKH-VOTSOKGWSA-N 335.260 3.771 0 1 EHAF CC(=O)[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601527 SPLCGIAKTWHIOQ-XLIONFOSSA-N 340.375 3.728 0 1 EHAF O=C(O)Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529224 LTWARYWAPUCYOY-IBGZPJMESA-N 336.387 3.899 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cccnc2)N1 587778919 OXXPUYDHDLNUMZ-DIFFPNOSSA-N 349.247 3.975 0 1 EHAF COc1nccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587093695 QKTKVMLLXUHLRW-UHFFFAOYSA-N 340.330 3.683 0 1 EHAF COc1cc2c3c(c1)O[C@]1([C@@H](N=O)[C@H]4CC[C@]1(C)C4(C)C)[C@@H](C2)C3=O 587427135 CASCLXGKBZMYKU-ZVBFCMAISA-N 341.407 3.773 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1csc(C)n1 587872748 PXCMXHGGDKDSDT-UHFFFAOYSA-N 345.399 3.736 0 1 EHAF CC[C@H](C(=O)OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992101 NDCCKLDZZQEJMS-NSHDSACASA-N 347.370 3.818 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccnc(Cl)n1)CC2=O 587458651 AEAYMRXTZWUSCL-KRWDZBQOSA-N 332.787 3.669 0 1 EHAF Oc1ccccc1C1(c2nc3ccc(Br)c(O)c3[nH]2)CC1 586896975 NWPJVJJJNFIUAQ-UHFFFAOYSA-N 345.196 3.817 0 1 EHAF CC(=O)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587173316 BNRQSOQOGGIVHX-IBGZPJMESA-N 338.338 3.533 0 1 EHAF CC(=O)C[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814184 RNWPXZDEGVXPGM-HWPZZCPQSA-N 342.252 3.953 0 1 EHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1C 587401869 ZKERWRKNLZIUBA-SFHVURJKSA-N 327.380 3.609 0 1 EHAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C 587579562 UUXXZDVFCPMZIZ-FXAWDEMLSA-N 335.359 3.742 0 1 EHAF CC(C)(C)Oc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)c(N)cc1F 587135757 CYKDGDRMXWIIHD-UHFFFAOYSA-N 343.358 3.827 0 1 EHAF CC(C)COc1ccc([C@@H]2NCCc3c(C(=O)O)cccc32)cc1 963128059 ZMNUZUJXMCJHKO-IBGZPJMESA-N 325.408 3.655 0 1 EHAF C[C@]1(c2cnn(-c3ccc(Cl)cc3)c2)NCCc2ccc(O)cc21 963340017 DYCGTWAAYDNQOV-LJQANCHMSA-N 339.826 3.641 0 1 EHAF O=C1CC[C@@H](c2ccccc2)C(=O)/C1=N\Nc1ccc(Cl)cc1 33686211 DFCXNGHPYRBXCX-MUNYZGMTSA-N 326.783 3.824 0 1 EHAF Cc1nn(CC(=O)NC2CCCCC2)c2nc3ccccc3c(C)c12 1772604264 OFCCDEUGBOXQNJ-UHFFFAOYSA-N 336.439 3.650 0 1 EHAF COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C=C2 13553836 HXPAWDWDGLCLFF-HNNXBMFYSA-N 328.364 3.868 0 1 EHAF CC(C)COc1ccc(C(=O)c2ccccc2)cc1CCC(=O)O 13678362 WAWKHEKROOISQK-UHFFFAOYSA-N 326.392 3.970 0 1 EHAF CCCCC/C=C\C[C@H](O)[C@@H](O)/C=C/[C@@H]1C/C=C\CCCC(=O)O1 14768280 MDCUPALPRUQMSF-JQGBYENFSA-N 336.472 3.833 0 1 EHAF CC1=C2CC/C(C)=C/CC[C@](C)(O)[C@@H](O)CC/C(C)=C\[C@@H]2OC1=O 169315249 KISXSEZMRISOQB-YRWNJAEKSA-N 334.456 3.587 0 1 EHAF CC(C)c1cc(CNc2nccc(Nc3cc(C(C)C)[nH]n3)n2)on1 167140604 AETOPUNRONSDLZ-UHFFFAOYSA-N 341.419 3.790 0 1 EHAF CC(C)[C@H](CO)NCc1nc(/C=C/c2cccc(F)c2)ccc1F 204417404 PIGXFCTWFLKDCK-GHOSXJJBSA-N 332.394 3.637 0 1 EHAF CC(C)[C@H](CO)NCc1nc([C@@H]2CCc3ccccc3C2)ccc1F 204421388 ALPSJAIIZKWIQZ-UTKZUKDTSA-N 342.458 3.600 0 1 EHAF Cc1nc(NC2(c3ccc(C(F)(F)F)cc3)CC2)c2cnn(C)c2n1 1857641182 XBYSLZZQMIGOEQ-UHFFFAOYSA-N 347.344 3.792 0 1 EHAF CC(=O)OC1=C(c2ccccc2)[S@@](=O)c2ccccc2-n2cccc21 13739866 LBYXNQMLXASEOA-RUZDIDTESA-N 349.411 3.987 0 1 EHAF CC(=O)[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C1 2356316150 IDNNKANZNRRSDH-WRYGONFVSA-N 332.484 3.918 0 1 EHAF CC(=CC[C@@H](O)C(C)=CCO)CCC=C(C)[C@H]1CC=C(C)C(=O)O1 2356348680 AQSHRPRBLNBKLZ-RTBURBONSA-N 334.456 3.611 0 1 EHAF Cc1ccc(C)c(NC(=O)c2nc(C)c(C)nc2C(=O)OC(C)C)c1 103184289 UQUKBBSXPZZXOS-UHFFFAOYSA-N 341.411 3.528 0 1 EHAF Cc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1O 114337490 FUXNTHGNLGWQIQ-SFHVURJKSA-N 336.439 3.653 0 1 EHAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@]3(C[C@H](CO)CC34CCCC4)[C@H]1[C@@H](O)C2 2356537042 XCQUHWHYMLJKJX-GYSUMOBZSA-N 348.527 3.648 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1C(C)=CC[C@@H]2[C@](C)(CO)C[C@@H](O)C[C@]12C 2356727476 OZALBTCYJOTRKW-RISVGRPXSA-N 336.472 3.540 0 1 EHAF CCO[C@@H](Cc1cccc(C2=NO[C@@H](c3ccccc3)C2)c1)C(=O)O 40423581 DDXOKUHUAQEPLL-MOPGFXCFSA-N 339.391 3.585 0 1 EHAF Clc1sccc1-c1cc(-c2cnn(C3CCNCC3)c2)on1 42891650 KKGLVACLAMRVMM-UHFFFAOYSA-N 334.832 3.845 0 1 EHAF COc1ccccc1-c1csc(NCC(=O)NC2CCCCC2)n1 82192088 XYSWOGLPBQXXMG-UHFFFAOYSA-N 345.468 3.680 0 1 EHAF COC(=O)c1cc2cc(NCc3c(C)cccc3Cl)cnc2[nH]1 148961454 KNTPBVJWLVSQOV-UHFFFAOYSA-N 329.787 3.923 0 1 EHAF C/C(=C/C(=O)O)CC[C@@]1(C)[C@@H]2CC[C@H](O)[C@@](C)(O)[C@]2(C)CC[C@H]1C 238739630 JWWWAEIMVGEDRK-IOEMMHQASA-N 338.488 3.762 0 1 EHAF C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCC1=CC(=O)OC1 238760348 JPADNOYXVVHBCB-HCAQKZJRSA-N 330.424 3.566 0 1 EHAF CCc1cc(OC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)ccc1Cl 618016115 RLICJXOGWGHQGT-SQWLQELKSA-N 335.831 3.503 0 1 EHAF COCCC1([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCCCC1 587442640 RNCNCYRGBPUCEV-DNVCBOLYSA-N 330.424 3.798 0 1 EHAF COC(=O)c1cccc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c12 587946980 PFJRNHBRMYSMQY-CYBMUJFWSA-N 336.391 3.631 0 1 EHAF Cc1c(Br)cnc2[nH]c(CCc3cccc(O)c3)nc12 586896358 BTUUNKJLOJPGPL-UHFFFAOYSA-N 332.201 3.520 0 1 EHAF Fc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c(F)c1F 587017007 QUHDPUGDOMBFPV-SECBINFHSA-N 325.315 3.955 0 1 EHAF Cc1coc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587774287 LVYMDRUGJRKTRA-WPPNPWJKSA-N 325.181 3.508 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)cc(C)c(CO)c1C)O2 587405946 ZGTVDSHRXBGLGZ-GOSISDBHSA-N 325.408 3.701 0 1 EHAF Oc1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587120685 CUSVQDFDYXQMIL-UHFFFAOYSA-N 336.195 3.696 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCOCC2)N1 587837112 ZKTCDXNZFAQFCK-VFZGTOFNSA-N 328.225 3.590 0 1 EHAF O=[S@@](Cc1nc2cccnc2[nH]1)C(c1ccccc1)c1ccccc1 586958200 FCMXCBAZWLTNGG-VWLOTQADSA-N 347.443 3.996 0 1 EHAF COc1ccccc1C1=NO[C@](C)(c2nnc(Cc3ccccc3)o2)C1 12726025 AVCUXYHCQUSXJA-FQEVSTJZSA-N 349.390 3.709 0 3 EHAF CC(C)CCC[C@H](C)NC1=NS(=O)(=O)c2sc(Cl)cc2N1 13491167 BZBUMLJYBBIGDL-VIFPVBQESA-N 349.909 3.676 0 1 EHAF CCCCC1=C(C(=O)OCC)[C@@H](C(=O)OCC)Oc2ccccc21 13814546 DPJBQXDHCUGNIH-KRWDZBQOSA-N 332.396 3.518 0 3 EHAF CCc1nc2cc(F)ccc2n1-c1ccc(C(=O)NC2CC2)s1 169701608 RIEKGQFWFVMMDP-UHFFFAOYSA-N 329.400 3.681 0 1 EHAF Cc1[nH]c2ccccc2c1[C@@H]1Cc2ccccc2N1C(=O)/C=C/C(=O)O 1622302 BLCOALNKHFNYCK-ZGKFYVQTSA-N 346.386 3.748 0 1 EHAF N=C(N)c1ccc(/C=C/C=C/c2cc3cc(C(=N)N)ccc3o2)cc1 1995709 YXKRBIDJQNFLQU-ZPUQHVIOSA-N 330.391 3.728 0 1 EHAF CC(C)[C@@]1(C)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 2003276 ICVHCELCKWOSFJ-OAHLLOKOSA-N 331.195 3.858 0 1 EHAF CN1C[C@H]2C[C@H]1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 100647405 GVNGZGPVJXWAOP-LSTHTHJFSA-N 335.447 3.628 0 1 EHAF CCc1nnc2n1N=C(c1ccc(Cl)cc1)[C@H](OC(C)C)S2 103174251 PDGRRRXCLWDOIU-CQSZACIVSA-N 336.848 3.603 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3cccc(O)c3CC[C@@H]21 100620709 DMFDAOOIIRJWAQ-PXNSSMCTSA-N 346.430 3.985 0 1 EHAF COC(=O)CCCCCCCO[C@H](Cn1cncn1)c1ccccc1 103297123 IHJQEQCWEDAFJG-GOSISDBHSA-N 345.443 3.550 0 1 EHAF O=C(O)c1c[nH]c2cc(OCc3cccc4ccccc34)ccc2c1=O 27717306 BRKXEERDYJTXIZ-UHFFFAOYSA-N 345.354 3.959 0 1 EHAF CCN(CC)CCN[C@@H]1c2cc(Cl)ccc2OCc2ncccc21 26838650 FZIYUEIOSQFKNH-IBGZPJMESA-N 345.874 3.648 0 1 EHAF Clc1cc2nc(C3CCNCC3)n(-c3ncccn3)c2cc1Cl 27754890 VAFZWHAIBOKIOL-UHFFFAOYSA-N 348.237 3.589 0 1 EHAF COc1cc2cc(c1O)-c1cc(ccc1O)CCC[C@H](O)CCC2 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343.452 3.966 0 1 EHAF COC(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587153410 ZSZYBSODBVMMSG-NEPJUHHUSA-N 328.318 3.899 0 1 EHAF CCc1nnc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)o1 587394579 HUKUZXHMXKQRMU-KRWDZBQOSA-N 349.390 3.896 0 1 EHAF COCCCOc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401303 VUGUWFNPTPXXPI-LJQANCHMSA-N 341.407 3.699 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1sc(Cl)nc1Cl)[C@@H](C2)C3=O 587452676 SQONCVOFNXUDBX-CPCISQLKSA-N 342.203 3.947 0 1 EHAF COC(=O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521370 CRAHAARULKUCJU-NRFANRHFSA-N 336.387 3.599 0 1 EHAF N[C@H](c1ccsc1)c1nc2cc(Br)cc(F)c2[nH]1 587025940 TUONRUOGGJZVTB-SNVBAGLBSA-N 326.194 3.574 0 1 EHAF COC(=O)c1ccnc2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c12 587034089 OSLXVJFGHVJDIG-SECBINFHSA-N 327.409 3.598 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@@]12C(=O)Nc1cc(F)cc(F)c12 963223868 DKSSFOIKXNORKM-MPBGBICISA-N 342.389 3.817 0 1 EHAF CN1C(=O)C[C@@H]2CN[C@](C)(c3cc(F)ccc3Cl)c3cccc1c32 963015892 ATQGZWXGZRNACJ-WYRIXSBYSA-N 344.817 3.796 0 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EHAF CCC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812133 IIRRFOKAFHXTJM-VFZGTOFNSA-N 328.225 3.707 0 1 EHAF O=Cc1cc(Br)cc(-c2nc3cncc(Cl)c3[nH]2)c1 586982263 JEABDVRHPKWLPS-UHFFFAOYSA-N 336.576 3.853 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C[C@H](O)CC 587865727 GYVMKZPUHRVMFT-CYBMUJFWSA-N 328.334 3.739 0 1 EHAF C[C@@H](CCc1ccccc1)[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962919744 LCVNTVZKDHMABA-FASAQXTFSA-N 327.399 3.735 0 1 EHAF C[C@]1(Cc2ccccn2)NC2(CC2)Cc2ccc(Br)cc21 961613106 GHPAMQTXIZNKQR-QGZVFWFLSA-N 343.268 3.980 0 1 EHAF Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c(N)c1 205635904 IMVOLRAVULIZPI-UHFFFAOYSA-N 347.827 3.580 0 1 EHAF O=C(O)c1cccc(CNc2cc(Br)cc3[nH]ncc23)c1 1772628089 DTTKYZCUJXNQAA-UHFFFAOYSA-N 346.184 3.636 0 1 EHAF Cc1ccc(C2=Nc3c(N)nc(N)nc3N[C@H](c3ccccc3)C2)cc1 5504019 JMNFCUSKFATQJW-INIZCTEOSA-N 344.422 3.627 0 1 EHAF COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccccc2Cl)cc1 169300702 CNLXQDJTVQYTPX-ROUUACIJSA-N 342.826 3.858 0 3 EHAF Cc1nn(C(=O)c2ccncc2)c(N)c1-c1ccc(Cl)c(Cl)c1 1857765355 TZIBKLSDRAIUQS-UHFFFAOYSA-N 347.205 3.831 0 1 EHAF O=C(O)Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 21188 CNRROMUYEMRYQF-UHFFFAOYSA-N 337.322 3.932 0 1 EHAF Fc1ccc(N2CCN(CCOc3ccc4c(c3)CCC4)CC2)cc1 26502991 COSYVRVEUXGRHY-UHFFFAOYSA-N 340.442 3.515 0 1 EHAF C[C@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)CC1=O 29215907 JGGKOMOQMSZYOH-SKWWBAPZSA-N 339.479 3.676 0 1 EHAF Cc1cc(C)c(OC(=O)C[C@H]2CC(c3ccc(O)cc3)=NO2)c(C)c1 40762829 OESQBJKFHREHFC-QGZVFWFLSA-N 339.391 3.806 0 1 EHAF O=C1CS[C@@H](c2ccc(Cl)cc2)c2cc3c(cc2N1)OCO3 59085550 YJNYJVFCVQOUQK-INIZCTEOSA-N 333.796 3.843 0 1 EHAF COc1cc2c(cc1OC)[C@H]1C[C@@H](O)[C@@H](CC3CCCC3)CN1CC2 71332206 XALFRGKXCLWMIA-QXAKKESOSA-N 345.483 3.564 0 1 EHAF Cc1cc(C)c(Oc2ccc(=O)n(Nc3ccc(F)cc3)n2)c(C)c1 72118379 NSPQWCSTQKGQGA-UHFFFAOYSA-N 339.370 3.975 0 1 EHAF COCc1cccc2[nH]c(-c3n[nH]c4ncc(-c5cc[nH]c5)cc34)nc12 72177004 TUJOCGINXRWCJT-UHFFFAOYSA-N 344.378 3.643 0 1 EHAF COc1cccc(-c2cc(=O)n(C[C@@H]3CCCNC3)c3ccccc23)c1 95586209 WWQIGCBVELGIIG-MRXNPFEDSA-N 348.446 3.677 0 1 EHAF Fc1cc(F)c(F)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1F 95588704 QLILSXLCYHMHMR-ZBEGNZNMSA-N 325.305 3.973 0 1 EHAF Cc1nnc([C@@H](Cc2ccccc2)n2sc3ccccc3c2=O)o1 95595056 QVHCPXVTUUCORT-OAHLLOKOSA-N 337.404 3.587 0 1 EHAF COc1ccc2c(c1)[C@@]13CCN(CC4CC4)[C@H](C2)[C@H]1[C@H](C)CC(=O)C3 101795855 GFZHKWGREZBWQT-NPYCQEQBSA-N 339.479 3.589 0 1 EHAF COc1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1 169340309 COAQKUPDYYYTMU-UHFFFAOYSA-N 338.392 3.709 0 1 EHAF Cc1nc(C(=O)N[C@@H]2[C@H]3C[C@@H]4C[C@H]3C[C@H]2C4)c(C)n1-c1ccccc1 169362397 LNFIGJSRRJNZFD-DFMFOVPYSA-N 335.451 3.654 0 1 EHAF Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1 203413118 MAFSEYQCCGCGCL-UHFFFAOYSA-N 343.386 3.994 0 1 EHAF O=c1c(O)c(-c2ccccc2O)oc2ccc(Br)cc12 299867033 PRLVXCCXYJUTLR-UHFFFAOYSA-N 333.137 3.634 0 1 EHAF COC(=O)c1cccc2nc(-c3cc(NC(C)=O)ccc3Cl)[nH]c12 587050806 QYWTZANIXZOMIJ-UHFFFAOYSA-N 343.770 3.628 0 1 EHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(O)c2[nH]1)C(C)(C)C 587205017 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3.622 0 3 EHAF COc1ccc(C(=O)N2CCC3(CCN(CC(C)C)CC3)CC2)cc1 3955711 ORBAYKYJKZBCGW-UHFFFAOYSA-N 344.499 3.669 0 1 EHAF O[C@@H]1Cc2ccccc2C[C@H]1N1[C@H]2CC[C@@H]1CC(c1ccccc1)C2 29054381 ZLZAFQPDXYRKBT-KLARFABHSA-N 333.475 3.925 0 1 EHAF Cc1nc(NCCc2cccc(N3CCCCC3)c2)c2cc[nH]c2n1 27649896 SZMHZCHJRAMFCR-UHFFFAOYSA-N 335.455 3.911 0 1 EHAF CN1C[C@H](c2cccc(OCc3nc4ccccc4s3)c2)OC1=O 26178912 AZYTXHWPFPOTKL-OAHLLOKOSA-N 340.404 3.998 0 1 EHAF Cc1cccc(NC(=O)c2c(NO)cc(-c3ccccc3)oc2=O)c1 103241646 OJYYIQOHUXFKRP-UHFFFAOYSA-N 336.347 3.669 0 1 EHAF CCN(CC)CCCCNCc1cc2c3ccccc3n(C)c2cn1 53296017 AWUVRGBAEIFEJE-UHFFFAOYSA-N 338.499 3.938 0 1 EHAF CC(C)(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1CN 113738355 LPTVYYRTLZBPAC-UHFFFAOYSA-N 349.434 3.537 0 1 EHAF CC(C)(c1ccccc1)S(=O)(=O)Nc1cc(Cl)ccc1O 29464953 UGIFDEQPUPYNBI-UHFFFAOYSA-N 325.817 3.723 0 1 EHAF CCCCOc1ccc(/C=C/C(=O)OCCN2CCCCC2)cc1 27650964 NBFNFSMBJLNWIK-FMIVXFBMSA-N 331.456 3.908 0 1 EHAF C[C@H](Nc1nc(N)nc(NCCCc2ccccc2)n1)c1ccccc1 28363358 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348.446 3.780 0 1 EHAF CCN(CC)CCCNc1cc(OC)c2nc(C)ccc2c1OC 142369319 MKBHUAOCBJPPKE-UHFFFAOYSA-N 331.460 3.704 0 1 EHAF O=C(Nc1cccc2c1[C@@H]1CCCCN1C2=O)NC1CCCCC1 95576425 DQHHSWXUKBBFNA-INIZCTEOSA-N 327.428 3.822 0 1 EHAF C[C@@H]1[C@@H](C)C(=O)c2ccc3c(c2[C@H]1c1ccc2c(c1)OCO2)OCO3 230068346 ZTOORMQTJNUZOQ-CZIZLABSSA-N 338.359 3.744 0 1 EHAF CC(=O)Nc1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2n1 653823289 WVPWJZVPSPEJCP-UHFFFAOYSA-N 343.390 3.656 0 1 EHAF Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587609780 DEWITPJYURHKPI-WMLDXEAASA-N 339.372 3.860 0 1 EHAF Cc1c(-c2nc3nccc(Br)c3[nH]2)oc2c1[C@@H](O)CCC2 586905333 LGOHQHDHGLUMJZ-VIFPVBQESA-N 348.200 3.659 0 1 EHAF C[C@]1(c2nc3ccc4ncccc4c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174937 SXOFTWAENLJQFZ-HXUWFJFHSA-N 347.349 3.879 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c(F)c(F)c1F)O2 587383107 XNGODAUWGNYGCT-LBPRGKRZSA-N 325.261 3.840 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2F)N1 587737189 CZVHEHAJLRBFSF-RTHLEPHNSA-N 339.183 3.746 0 1 EHAF 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COc1ccc(Nc2cncc(-c3cccc(NC(C)=O)c3)n2)cc1 13679230 OGQIXTVTCCTJOB-UHFFFAOYSA-N 334.379 3.854 0 1 EHAF Cc1ccc(S(=O)(=O)c2cc(Cl)c(O)c3ncccc23)cc1 1857750007 KVRFOWUPRJDLSD-UHFFFAOYSA-N 333.796 3.735 0 1 EHAF CC(C)NC(=O)Nc1ccc2c(c1)N(C)C(=O)c1ccccc1S2 6795983 VMZBOPGHZHPAMQ-UHFFFAOYSA-N 341.436 3.958 0 1 EHAF COc1ccc(-c2nn(C(=O)c3ccc(O)cc3)c(=S)s2)cc1 103282861 VYEPFTKPKSCRRG-UHFFFAOYSA-N 344.417 3.744 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3c(O)cccc3CC[C@@H]21 100620739 SBYWPYQCUMRVQD-HKUYNNGSSA-N 346.430 3.985 0 1 EHAF CC[C@@]1(c2ccccc2)C(C(=O)OC)=C(C)N=C(C)/C1=C(/O)OC 100016116 FVADXYGDLLTBFF-LQATUXICSA-N 329.396 3.672 0 1 EHAF Cc1cnc(C)c(Nc2nc([C@@H](N)CCc3ccccc3)cs2)n1 61895581 YXEYVVSHLWYMRH-HNNXBMFYSA-N 339.468 3.926 0 3 EHAF N[C@H](c1ccccc1)c1csc(NC(=O)NCC2CCCCC2)n1 61904045 VVFYZSBERPMIJW-MRXNPFEDSA-N 344.484 3.893 0 3 EHAF CCC(=O)N1CCC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 64540472 AMYMRQIMJWIFBN-UHFFFAOYSA-N 344.242 3.516 0 1 EHAF CC(C)Cn1c2ccccc2c2ccnc(CNCCCN(C)C)c21 72118466 OHMXVZZICIOSFH-UHFFFAOYSA-N 338.499 3.887 0 1 EHAF Clc1ccc(C2=CCc3ccccc3N=C2N2CCNCC2)cc1 40639441 CTVHQADQHSBNRH-UHFFFAOYSA-N 337.854 3.915 0 1 EHAF O=C1CCCN1Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 196885376 BELFTQXCFIPCTM-UHFFFAOYSA-N 339.826 3.860 0 1 EHAF Cc1cnc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccccc2)o1 82162784 CANGNXXLRZKGOT-OAHLLOKOSA-N 336.395 3.698 0 1 EHAF Fc1cccc(-c2cc(-c3cnn(C4CCNCC4)c3)on2)c1Cl 40413897 OVOHNEZJVPQTDR-UHFFFAOYSA-N 346.793 3.922 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@@H](O)[C@H](C)[C@@]12C 238764533 BEWHLKZJDNKMGM-UEWLHAEMSA-N 346.423 3.748 0 1 EHAF CCc1oc2ccccc2c1-c1nc2ccc(-n3cnnn3)cc2[nH]1 586903963 OQVOIBAQOFCFHE-UHFFFAOYSA-N 330.351 3.514 0 1 EHAF CC(C)(C)c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2n1 587122877 GWYYZZKDCMVSNO-UHFFFAOYSA-N 332.354 3.961 0 1 EHAF Clc1ccnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 587039149 CNKOOKUPIDYEDZ-STQMWFEESA-N 330.844 3.558 0 1 EHAF O=C(O)c1cc(F)cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 587138599 MXZDKWIQHWIPEI-UHFFFAOYSA-N 338.260 3.603 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H]2CCCO2)N1 587836250 ZDYIJLXJWPCFSQ-RSAASHCRSA-N 342.252 3.907 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOCC2)N1 587833003 DKTAQMJGJKWRQB-BMIGLBTASA-N 328.225 3.518 0 1 EHAF Cc1nccc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 587008434 VRCQDYVDXVTAKZ-UHFFFAOYSA-N 328.173 3.572 0 1 EHAF N[C@H](Cc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12)C(=O)O 587630719 BLFUXLPHRHDIDD-GFCCVEGCSA-N 332.762 3.582 0 1 EHAF O=C(O)CCc1c(-c2cc(F)cc(F)c2)[nH]c2c(C(=O)O)cccc12 587638463 YHNIHPOVIKALCF-UHFFFAOYSA-N 345.301 3.829 0 1 EHAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(CO)ccc3[nH]2)cc1 587244960 SVFWDOQBNNGYMO-UHFFFAOYSA-N 343.386 3.975 0 1 EHAF COc1cccc2cc3c(nc12)[C@@]1(CCCc2ccccc21)NCC3 963044014 BLCBBFWPQQADIC-QFIPXVFZSA-N 330.431 3.969 0 1 EHAF O=C1c2ccccc2C[C@@]12c1ccsc1CCN2Cc1cccnc1 962994690 LIPIPENVNZGBJA-OAQYLSRUSA-N 346.455 3.836 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)[C@H](C(=O)OC)C(F)(F)F 963228663 MKIPRXHWSKNXAW-ISTRZQFTSA-N 343.389 3.910 0 1 EHAF O[C@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 13472053 OEBHJVBOMQYFSW-OAQYLSRUSA-N 337.463 3.502 0 1 EHAF C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 13833789 SKWFVNMXOGFNNC-DAXOMENPSA-N 328.481 3.611 0 1 EHAF CCOC(=O)c1c(C)nn(-c2ccc(OC(F)(F)F)cc2)c1C 14956518 DYVAJWMMWBDROM-UHFFFAOYSA-N 328.290 3.564 0 1 EHAF Cc1cccc(C)c1C(=O)N[C@@H](c1ccccc1)C12CC(CN1C)C2 1857641516 NVWAOCKTOOXEHN-DHHCDUQHSA-N 334.463 3.869 0 1 EHAF CN(C)c1ccc(-c2cc3ncccc3c(NCCCCO)n2)cc1 13489182 GSKBYSKQGCNRPJ-UHFFFAOYSA-N 336.439 3.547 0 1 EHAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)N[C@H]1CCCC[C@H]1O 775561 YIIBYBFYCXQKQH-QWHCGFSZSA-N 348.468 3.734 0 1 EHAF Cc1cc(-c2nc3ccc(F)cc3s2)ccc1NC(=O)[C@H](C)N 1658264 PHPJRNFQYQECSF-JTQLQIEISA-N 329.400 3.697 0 1 EHAF COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@H]2C)ccc1O 2356416348 QLZQNPQQNASFSL-PGICJIBASA-N 344.407 3.681 0 1 EHAF C[C@]12N[C@H](Cc3ccc(I)cc31)c1ccccc12 27893429 RRYINJUHCRONBF-HZPDHXFCSA-N 347.199 3.755 0 1 EHAF CCOC(=O)[C@@H](Cc1ccccc1)N(C)c1nc2ccccc2s1 28004483 JLMRWHZSCGCFTE-MRXNPFEDSA-N 340.448 3.907 0 1 EHAF CN1[C@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1OC(C)(C)C)C2 29568908 KUCREJGSOGHLBH-GOOCMWNKSA-N 331.460 3.611 0 1 EHAF CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1Nc1ccc(C)cc1 20465529 UIZQVIYFEWUBRY-UHFFFAOYSA-N 326.421 3.888 0 1 EHAF CC[C@]1(C(=O)N[C@H](C)COc2ccc(F)cc2)[C@@H](C)C1(Cl)Cl 29348064 FCANZSIVCOGJRL-UEKVPHQBSA-N 348.245 3.929 0 1 EHAF C[C@@H]1Oc2cc(O)c3c(c2C1(C)C)O[C@@H](c1ccc(O)cc1)CC3=O 14825094 KITUBOBTRYFYBY-ZUZCIYMTSA-N 340.375 3.863 0 1 EHAF biogenic COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(Cl)cc2)cc1 75402903 RETFPVAKHLMRAT-ZWKOTPCHSA-N 342.826 3.858 0 3 EHAF FC(F)(F)Oc1ccccc1CNc1cc(Cl)nc2ccnn12 40379985 ZQPVSDKTTNKMQX-UHFFFAOYSA-N 342.708 3.893 0 1 EHAF C[C@H](N[C@@H](C[C@H](O)c1ccc(Cl)cc1)C(=O)O)c1ccccc1 84615709 XEIVNVLGRBAYEH-ZLIFDBKOSA-N 333.815 3.568 0 1 EHAF O=C(Nc1cccc2c1[C@H]1CCCCN1C2=O)NC1CCCCC1 95576426 DQHHSWXUKBBFNA-MRXNPFEDSA-N 327.428 3.822 0 1 EHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cccc(C(=O)O)c2[nH]1 587926071 HGNHXZTZAZOPNM-LBPRGKRZSA-N 340.379 3.820 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(COCc3cccc(Cl)c31)O2 587379450 ISEDIMSOPSYBBL-GOSISDBHSA-N 329.783 3.622 0 1 EHAF CO[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587811154 NFDBHLZGYYTCQH-NSODJVPESA-N 342.252 3.907 0 1 EHAF CC(C)CC(=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814266 SWIUSRGYVIRUCJ-QFYYESIMSA-N 342.252 3.953 0 1 EHAF COc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cn1 587201168 IRUFGEGEDYAWGW-UHFFFAOYSA-N 348.447 3.547 0 1 EHAF C[C@@H]1CCc2sc(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)cc2C1 587032812 BFROYTAULAMCRZ-SECBINFHSA-N 339.420 3.747 0 1 EHAF O=C1C[C@@H](c2ccc(-n3cncn3)cc2)Oc2c1ccc1c2CCCC1 587517330 LBXNTYPWBIJCKN-FQEVSTJZSA-N 345.402 3.853 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(C)nc1C)CC2=O 587491502 UCMBQSWLQAWDHA-LJQANCHMSA-N 326.396 3.632 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2OC2(C)C)N1 587828829 AANOFBBIAFVXAU-BCSUUIJWSA-N 328.225 3.515 0 1 EHAF COc1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(Cl)n1 587083783 LKVNQRLLFJPWIX-UHFFFAOYSA-N 329.574 3.989 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@@H]3C1CCC(OC)CC1 963064133 GRFIBZRLUZXKCF-TYJKZOGGSA-N 326.440 3.635 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@@H]3C(C)(C)CN1CCCC1 963059739 UKSBURXDXLMXCX-FQEVSTJZSA-N 339.483 3.552 0 1 EHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](C2=C(Cl)c3ccccc3C2)N1 962911293 ZLZQACFMNODWHL-YJBOKZPZSA-N 343.785 3.672 0 1 EHAF O=C(c1ccc(F)c(O)c1)c1cccc(-c2ccc(O)c(F)c2)n1 1772649252 GULSOVVFSKZABL-UHFFFAOYSA-N 327.286 3.669 0 1 EHAF COc1cc2c(OC)c3ccoc3nc2cc1OC[C@@H]1OC1(C)C 15222503 GUBVTINFYNHSOX-HNNXBMFYSA-N 329.352 3.554 0 1 EHAF biogenic COc1ccc(/C=C/c2c(OC)cc(OC)cc2OC)c(OC)c1 169330263 NAQNOQDDHDVJDK-VQHVLOKHSA-N 330.380 3.900 0 1 EHAF COc1ccc2c(c1)[C@@]1(C)Cc3sc(=N)[nH]c3C(C)(C)[C@H]1CC2 1857610430 DMRPLQHOLANPCY-DNVCBOLYSA-N 328.481 3.918 0 1 EHAF COc1cccc(OC)c1[C@@H]1SCC(=O)N1c1cccc(C)c1 3626560 PHLGRMVGTOAQJZ-SFHVURJKSA-N 329.421 3.791 0 1 EHAF CCOc1nc2nc(C)cc(Nc3ccc(C(F)(F)F)cc3)n2n1 73296037 SNTNVQYCKZKZOP-UHFFFAOYSA-N 337.305 3.594 0 1 EHAF COC(CN(C)Cc1coc(-c2cccc3ccccc23)n1)OC 72182895 SYYGTSGSAYEYPK-UHFFFAOYSA-N 326.396 3.546 0 1 EHAF Cc1cc(OCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1 95557216 SVRATFOTJLMBDJ-UHFFFAOYSA-N 340.254 3.962 0 1 EHAF COc1ccc(-c2cc3cc(/C=C/C(=O)O)cc(OC)c3o2)cc1O 96934938 HZYMOFFWTGTUMR-ZZXKWVIFSA-N 340.331 3.920 0 1 EHAF CNc1c(-c2ccc3c(c2C=O)OCO3)ccc2cc3c(cc12)OCO3 238759051 UUOCDFGUEXAVIL-UHFFFAOYSA-N 349.342 3.818 0 1 EHAF C[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3Cl)=NN2C1=O 653692074 WMNWUDGVCSLKCA-BZNIZROVSA-N 326.783 3.799 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(F)c2)N1 587735377 UGJDXEKLXDZMOU-ANRSDYALSA-N 339.183 3.746 0 1 EHAF CO[C@H](C)COC1CCC(c2nc3ccc(C(C)=O)cc3[nH]2)CC1 587951919 JUFFUSYMPVBDCY-XEBKBJJBSA-N 330.428 3.843 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncc(Br)c1C)O2 587371593 LEPBVARNGGSKAH-HNNXBMFYSA-N 347.212 3.750 0 1 EHAF N[C@@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@@H]1c1ccccc1F 587154109 CYOVDHZGEMZEHK-BCTVWOGZSA-N 337.732 3.975 0 1 EHAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CC=CC[C@H]3C)[nH]c2c1 587970357 GEIUWZJKRCQJBB-UKRRQHHQSA-N 347.484 3.711 0 1 EHAF COc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cn1 587026158 BABJQGBBKFUWKA-UHFFFAOYSA-N 326.381 3.582 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccc(Cl)cc3n1C)O2 587380871 XOTRNISBOIWPLP-MRXNPFEDSA-N 341.798 3.824 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H]2CCCOC2)N1 587834557 LHVSQQYINCIRSD-UHIISALHSA-N 342.252 3.980 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(C3CCCC3)c1)O2 587393209 ZTMGQVFFKKDSMO-IBGZPJMESA-N 325.412 3.769 0 1 EHAF CC/C=C1\Nc2ccccc2C(=O)N1CC(=O)c1ccc(OC)cc1 957725150 HMSBATCUSNJJOW-KPSZGOFPSA-N 336.391 3.697 0 1 EHAF CNc1nc2cnc(Nc3cccc(C(C)C)c3)cc2n1CCOC 74388372 UUZLIYYMJCSZPD-UHFFFAOYSA-N 339.443 3.986 0 1 EHAF O=C(O)c1cc(F)cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)c1 963113276 QOQCZRNTKIYDCV-AEFFLSMTSA-N 329.346 3.773 0 1 EHAF COc1ccc(-c2nc(-c3ccc(OC)cc3)c3[nH]cnc3n2)cc1 13686514 ZGJSQGNKCRURQW-UHFFFAOYSA-N 332.363 3.704 0 1 EHAF in-vivo C[C@@H]1CN2[C@H]3[C@@H]1CC[C@]14COC(=O)CC[C@]31[C@@H]1CCC[C@@]13CC[C@@H]4[C@@H]23 169665602 SJPVIZHSTQMCEQ-FPTNXDLASA-N 341.495 3.619 0 1 EHAF O=C(O)c1n[nH]c2cc(Cl)c(-c3ccc([C@H]4C[C@H](O)C4)cc3)cc12 584617532 AAORADYAVNVBAV-HAQNSBGRSA-N 342.782 3.820 0 1 EHAF CCCCN1[C@H]2CCC[C@@H]1CC(NC(=O)c1cccc(OC)c1)C2 4888113 SFCXZTUIPCMBFB-AYHJJNSGSA-N 330.472 3.611 0 1 EHAF O=C(Cn1c(-c2cccs2)cc2ccccc21)NC[C@H]1CCCO1 6750734 LCPYRPRDFHPWKX-OAHLLOKOSA-N 340.448 3.665 0 1 EHAF O=C(O)c1ccc2nc(-c3cc4cc(Cl)ccc4oc3=O)[nH]c2c1 6917834 ANRVLLLFKHCZLP-UHFFFAOYSA-N 340.722 3.688 0 1 EHAF C[C@@H](O)c1onc(-c2ccccc2)c1C(=O)N(C)Cc1ccccc1 2356290585 XAGSIBKLXJTTOS-CQSZACIVSA-N 336.391 3.667 0 1 EHAF COc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1 34578010 QKTXEHDRNNYFGM-UHFFFAOYSA-N 347.440 3.779 0 1 EHAF COc1cc(C(=O)NCc2cccc(Cl)c2)ccc1-c1cn[nH]c1 221725164 TTWZABDARFQEGI-UHFFFAOYSA-N 341.798 3.669 0 1 EHAF Nc1ccccc1NC(=O)CCCCCC(=O)Nc1cccc(O)c1 220907597 BMXYFFISZBUUHQ-UHFFFAOYSA-N 341.411 3.502 0 1 EHAF Cc1sc2nc3ncc(-c4ccc(Cl)cc4)nn3c(=O)c2c1C 95590139 AXGKCWLARVUWPW-UHFFFAOYSA-N 342.811 3.636 0 1 EHAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCCC1 144695210 QSPJBNPNPUUZNP-GOSISDBHSA-N 347.336 3.701 0 1 EHAF O=C1C[C@H](Sc2ccc(F)cc2F)N1C(=O)NCc1ccccc1 299871456 YOYKYCURUBFSAC-INIZCTEOSA-N 348.374 3.525 0 1 EHAF CCOC(=O)c1c(C)[nH]c2ccc(OCCCN3CCCCC3)cc12 653720488 MZCMMBQAWGQIPD-UHFFFAOYSA-N 344.455 3.908 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c([C@](F)(Cl)C(F)(F)F)nc2c1 587090244 OJFWSYYNCVHWBB-SNVBAGLBSA-N 345.079 3.926 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Oc3ccc(N)cc31)O2 587388780 GQJYCHKAMVGBBO-HXUWFJFHSA-N 338.407 3.581 0 1 EHAF O=[S@@](Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)CC1CC1 586960166 UHCOSZAEKJBVHO-XMMPIXPASA-N 340.448 3.801 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCOC2)N1 587834661 MFDFGBULLALEEB-XDMRBOTDSA-N 328.225 3.590 0 1 EHAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(Br)nc2[nH]1 587163994 PTEJKEMTFJAFQX-ZDUSSCGKSA-N 349.207 3.511 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCCc4nc(Cl)ccc41)[C@@H](C2)C3=O 587420751 LVGANDYNLGLIJN-ORAYPTAESA-N 341.794 3.723 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OC)[C@@H](C2)C3=O 587417230 AWIMFIFONRDWDN-SCLBCKFNSA-N 330.767 3.846 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(/C=C/N1CCCCCC1)[C@@H](C2)C3=O 587440980 CHXIWSXQIRHIFY-MCTJEOJPSA-N 327.424 3.591 0 1 EHAF Cc1cccc2nc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cn12 587876238 PYGFGXNOKCDJQN-UHFFFAOYSA-N 334.310 3.440 0 1 EHAF CC(C)c1nc2nc(O)nc(O)c2cc1Cc1ccc(Cl)cc1 587369117 VQQZQJPKBKWTMS-UHFFFAOYSA-N 329.787 3.804 0 1 EHAF Cc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587587604 NKEOSYYMQPWRTB-UZLBHIALSA-N 349.342 3.504 0 1 EHAF COc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1C 587173568 FEYOOLBNIKHROW-IBGZPJMESA-N 340.354 3.647 0 1 EHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587042055 HPPVMYJOVCMIDB-LLVKDONJSA-N 341.839 3.976 0 1 EHAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(N)c(N)cc2[nH]1 587075884 OFABSYGVYLNJNN-UHFFFAOYSA-N 338.802 3.542 0 1 EHAF CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2ccc(F)c(Cl)c12 587632279 ITDNSPQQMTXVEH-UHFFFAOYSA-N 346.745 3.768 0 1 EHAF CN(C)C(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587107510 UEYKLORVEBYSSB-UHFFFAOYSA-N 347.340 3.874 0 1 EHAF COc1ccc2c(c1OC)[C@H](c1cc3ncccc3o1)N(C)[C@@H](C)C2 962631162 QNQOMDJGFMEAJR-BUXKBTBVSA-N 338.407 3.811 0 1 EHAF Cc1ccnn1C[C@@]1(C)c2ccsc2CCN1Cc1cccn1C 962398960 ONVVVERWMFAMQX-IBGZPJMESA-N 340.496 3.565 0 1 EHAF C[C@H](c1ccccc1)N1CCC(c2nnn3cnc4[nH]ccc4c23)CC1 1772636464 SYTKHVAFXFXSLD-CQSZACIVSA-N 346.438 3.546 0 1 EHAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C[C@H](O)c1ccccc1 1772586086 FYDXCISEJYSSCH-QWIYEXKTSA-N 337.463 3.650 0 1 EHAF CCN(CC)CCCN(C)c1ncc(C)c2c1c1cnccc1n2C 5139269 YAFKKADSOULORL-UHFFFAOYSA-N 339.487 3.598 0 1 EHAF Cc1ccc2[nH]c(C)c(C(=O)[C@@H]3CS[C@@H](c4cccnc4)N3)c2c1 13737512 RBNQXICCPSZXGJ-LPHOPBHVSA-N 337.448 3.766 0 1 EHAF COc1cc2ccc(=O)oc2cc1OC/C=C(\C)C/C=C/C(C)(C)O 15253810 RZHGIBONLJZHIW-SEGXDNKWSA-N 344.407 3.844 0 1 EHAF 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COc1ccc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2c1 587927040 RDEGQIHPKGVWFU-GFCCVEGCSA-N 326.396 3.935 0 1 EHAF COc1ccc(NC(C)(C)c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587200993 CYOPFCUBRDMKEL-UHFFFAOYSA-N 339.395 3.690 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(O)CCCC2)N1 587823726 VVVNXBDPQOTONP-BONVTDFDSA-N 342.252 3.643 0 1 EHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)ncc3[nH]2)cn1 587246736 FPZWBQSFLUFDGJ-UHFFFAOYSA-N 329.791 3.658 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3ccccc31)CC2=O 587481497 CFYYTUDISNNZPV-HXUWFJFHSA-N 338.359 3.515 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCC(=O)O)N1 587831753 XTYVQBCEYBDAIM-BJOHPYRUSA-N 344.224 3.593 0 1 EHAF COc1ccc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn(C)c2c1 587389022 DGRLNZWAMSHRBG-LJQANCHMSA-N 336.391 3.784 0 1 EHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C)c(Cl)cc2[nH]1 587231481 OVUIYCFYZYIAOL-OLZOCXBDSA-N 349.862 3.561 0 1 EHAF Cc1cc2c(cc1F)[C@@H](c1cccnc1NC(=O)C(C)(C)C)NCC2 962301452 RUYXWDGFVDKDRS-QGZVFWFLSA-N 341.430 3.749 0 1 EHAF Cc1cccc(-c2ncc(CN[C@@H]3COc4ccccc4C3)cn2)c1 19743013 WNKSDYLFHZLCNS-IBGZPJMESA-N 331.419 3.545 0 1 EHAF Clc1cc(NCC2CC2)c2ncc(-c3ccc4n[nH]cc4c3)n2n1 1857581872 FLFMYUGDCXTOQI-UHFFFAOYSA-N 338.802 3.748 0 1 EHAF NC(=O)c1ccccc1NC(=O)Nc1ccc(F)c(C(F)(F)F)c1 1857642126 IEGRWJVGNOOSAV-UHFFFAOYSA-N 341.264 3.587 0 1 EHAF CCCc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@H](CC)C2 1857648136 DODPNUPHPQSVMK-CQSZACIVSA-N 341.407 3.682 0 1 EHAF CCCCC[C@@H]1C=C[C@H]2[C@H](O)C[C@H](O)[C@@H]2CC=CCCCC(=O)O1 253693035 UTLCNJREJFJDLH-IEWDOMPSSA-N 336.472 3.523 0 1 EHAF CCCCCCOC[C@H](COP(=O)(O)O)OCCCCCC 13759999 SNKXLSABFHUJFS-OAHLLOKOSA-N 340.397 3.658 0 1 EHAF CC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2ccc(F)cc2F)C1 3262064 PODWDIABNHWHEZ-LRDDRELGSA-N 329.412 3.554 0 1 EHAF Cn1cccc1C(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1 3955853 PAZHTQMPRMMGKJ-UHFFFAOYSA-N 337.467 3.548 0 1 EHAF COc1ccc2c3c([nH]c2c1)C[C@H]1C[C@@]3(c2cccc(O)c2)CCN1C 100768792 OLISSJIVMPYVMP-OYHNWAKOSA-N 348.446 3.819 0 1 EHAF Cc1ccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)cc1 101661823 GHLHDMOPOHOCRY-UHFFFAOYSA-N 327.405 3.667 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCCC(=C23)[C@]12C[C@H](c1ccco1)OC2=O 2356476442 IQEKRSIWCDUGJG-XHMIZYAZSA-N 342.391 3.706 0 1 EHAF F[C@@H]1CN(CC2CCCCC2)C[C@H]1OCc1nc2ccccc2o1 2356299976 RJBMRRLNAIAWGT-CRAIPNDOSA-N 332.419 3.947 0 1 EHAF CC[C@H](O)/C=C/C=C\C=C\[C@H](O)C/C=C\C/C=C\CCCC(=O)O 112974800 RWHZIKMTLJOOEH-JBDMMMAVSA-N 334.456 3.934 0 1 EHAF C[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)cc4[C@]2(CCN3CC2CCC2)CC1=O 29215911 JGGKOMOQMSZYOH-YXXMBDFVSA-N 339.479 3.676 0 1 EHAF CC=C1CN2[C@H]3C[C@H]1[C@H](C(OC)OC)[C@H]2Cc1c3[nH]c2ccccc12 2356529839 UIOROXFKWQBBBX-OAOYMFHYSA-N 338.451 3.651 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)C[C@@H]3CO[C@H](O)[C@@H]3[C@]2(C)C1(C)C 2356666919 POPAGGXDYJJYSP-LIHUTXLRSA-N 336.472 3.682 0 1 EHAF C[C@@]1(C(=O)O)CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 61895872 ARMUJRANUXUGPD-GOSISDBHSA-N 349.858 3.865 0 3 EHAF CC(=O)N[C@H](C)CCc1ccc(Oc2ccc(OC(C)C)nn2)cc1 66258528 APNVLKPTTKDDIK-CQSZACIVSA-N 343.427 3.513 0 1 EHAF COC(=O)C/C=C\[C@@H](C)[C@@H](Cc1ccccc1Br)OC 73111230 OEXFZJIMWVCZMM-FZPADWTNSA-N 341.245 3.762 0 1 EHAF C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(CO)cc3)cc2)C1=O 38542296 ARSWEFWZYKJHJN-ZUOKHONESA-N 340.444 3.626 0 1 EHAF Cc1cc(NC(=O)NC(=O)c2ccccc2F)c(C(C)C)cc1O 84690711 BEKGWUOQBBZILB-UHFFFAOYSA-N 330.359 3.925 0 1 EHAF O=C(Nc1ccc(F)c(-c2nc3ncccc3o2)c1)c1cscn1 96914405 AZGRDYFPGAWEGX-UHFFFAOYSA-N 340.339 3.738 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@](C)(O)[C@@]12C 238744032 KGZOYCGNWWQQRH-JCZFAVSSSA-N 346.423 3.892 0 1 EHAF C[C@H](CF)OC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 253659132 ISWUXQKIYIOEJI-UFRBAHOGSA-N 339.838 3.808 0 1 EHAF Cc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2n1 587079828 KYSKVWFXXGKTSH-ZDUSSCGKSA-N 325.803 3.644 0 1 EHAF Cc1csc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587855424 VPBBTMQFLPYACZ-CPFSXVBKSA-N 341.249 3.977 0 1 EHAF C[C@]1(CSc2nncs2)CC(=O)c2ccc3c(c2O1)CCCC3 587535167 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RSOLMFZEKWUJSL-NXSYQRQQSA-N 341.249 3.977 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1(C(F)F)CC1 587557752 SRQHGZKNMIRGCJ-XJKSGUPXSA-N 332.302 3.768 0 1 EHAF COC(C)(C)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595443 OACDNPITNLMGDB-JXFKEZNVSA-N 342.391 3.928 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOCC2)N1 587837175 ZWYHZLRIHVQCLE-MEBBXXQBSA-N 328.225 3.518 0 1 EHAF O=C1O/C(=C\c2nc3ccc(Br)cc3[nH]2)c2ccccc21 586905851 FDHRWZFPBBWYCK-ZSOIEALJSA-N 341.164 3.994 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2nc(N)sc2C)N1 962939013 BGWSWRGNYIGIGU-ZMZPIMSZSA-N 326.469 3.703 0 1 EHAF Oc1cc(O)cc([C@H]2c3ccsc3CCN2Cc2ccco2)c1 962711552 PRQNBXSKYPHNEP-SFHVURJKSA-N 327.405 3.900 0 1 EHAF Cc1ccnc2c1CCN[C@@]2(c1ccc(CN2CCC2)cc1)C1CCC1 963066382 HFNXEKQXGMHELB-HSZRJFAPSA-N 347.506 3.785 0 1 EHAF CN1CCC[C@H]1COc1ccc(-c2cccc(N)n2)c2ccccc12 13559828 GNKJVGOVADALEV-HNNXBMFYSA-N 333.435 3.957 0 1 EHAF CCOC(=O)c1cn2ncnc(N[C@H](C)c3ccccc3)c2c1CC 14954028 IKFNDVGENZZACI-CYBMUJFWSA-N 338.411 3.642 0 1 EHAF CCCCC[C@@H]1/C=C/[C@@H]2C(=O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 169366229 HZYSFMCHNGCKLZ-IJUUQRTHSA-N 334.456 3.731 0 1 EHAF CCOC(=O)C1=C(c2ccccc2)N=C(CC)[C@H](C(=O)OCC)[C@H]1C 169715639 LZBXZZZIZRFRAE-CZUORRHYSA-N 343.423 3.641 0 1 EHAF CN(C)c1ccc(-c2cc3ncccc3c(NCC(C)(C)CN)n2)cc1 13489190 FPFIPHRGRQVPSC-UHFFFAOYSA-N 349.482 3.760 0 1 EHAF CCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O 416708 INOISHSPQRFJPO-UHFFFAOYSA-N 348.446 3.818 0 3 EHAF CC(=CC[C@]1(C)CC[C@@H](C(C)(C)O)[C@H]1CCC(=O)O)CCC(=O)O 2356347008 IDHHDXMWDQBKJS-SPYBWZPUSA-N 340.460 3.856 0 1 EHAF O=C(O)c1ccc(Cn2ccc(=O)c3cccc(C(F)(F)F)c32)cc1 103322585 ZOSMAIFZHCFILE-UHFFFAOYSA-N 347.292 3.767 0 1 EHAF CO/C(O)=C1/C(C)=Nc2nc(SC)nc(O)c2[C@H]1c1cccs1 104110898 RONGBNLOFDBPRL-ADVUTCEVSA-N 349.437 3.620 0 1 EHAF Cc1cc(CCCOc2c(C)cc(-c3nnc(C)o3)cc2C)on1 26493838 ZNXVWYRXISFHDT-UHFFFAOYSA-N 327.384 3.970 0 1 EHAF COc1ccc(Oc2c(C)[nH]c3cccc(S(C)(=O)=O)c23)cc1 28346382 NHYDZAXXUQBSOR-UHFFFAOYSA-N 331.393 3.681 0 1 EHAF C[C@@H](CCC[C@](C)(O)CCC[C@@H](C)CO)CCC(=O)[C@@H](C)CCO 64624812 KVWYIWRSDKQRFM-DMUMMCEESA-N 344.536 3.710 0 1 EHAF in-vitro Cc1nc[nH]c1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71764143 HIRKPHYOKGNZSN-HNNXBMFYSA-N 326.227 3.598 0 1 EHAF COc1cc(CCCO)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 14584472 JJPULWMQUWTWAT-BLVKFPJESA-N 342.391 3.586 0 1 EHAF biogenic Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2[C@H]1C[C@H](F)C1 1911583599 TXHXVNJDQPMZHD-MGCOHNPYSA-N 333.754 3.527 0 1 EHAF COc1ccc(-c2cn3nc(-c4ccccc4)c(C(=O)O)c3n2C)cc1 248024850 LCGFLERARPKSKP-UHFFFAOYSA-N 347.374 3.714 0 1 EHAF COc1cc(N(C)c2nc(C)nc3oc(C)cc23)cc(OC)c1OC 299860353 GNKOYELZMMGVRH-UHFFFAOYSA-N 343.383 3.633 0 1 EHAF Clc1cccc(-c2cc(-c3nc4ncnc(Cl)c4[nH]3)n[nH]2)c1 587068378 UDPTXMLQTCRDSA-UHFFFAOYSA-N 331.166 3.717 0 1 EHAF CCC1(CC)[C@H](OC)[C@H](C)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444305 SXOGEWFDQHTGGH-WNQYOYHGSA-N 330.424 3.653 0 1 EHAF O=C1C[C@H](c2cccc(-n3cncn3)c2)Oc2c1ccc1c2CCCC1 587517567 PSQOTTKUBGADDX-HXUWFJFHSA-N 345.402 3.853 0 1 EHAF CCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576630 JWBFSPRDVYMLPE-XLIONFOSSA-N 335.359 3.917 0 1 EHAF COC(C)(C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789970 DWWOZPYVUSCZJW-VFZGTOFNSA-N 330.241 3.763 0 1 EHAF O=Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587601168 FLMZVSSJSDMZQG-GHTZIAJQSA-N 346.338 3.908 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3)s1)O2 587411784 VRDFIQIGTAYVGZ-HNNXBMFYSA-N 328.437 3.945 0 1 EHAF CC(C)=C1Oc2cc(O)ccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587406984 GNCWDABMIFFPBP-FQEVSTJZSA-N 337.375 3.830 0 1 EHAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(F)cccc12 587508602 PZVQPTIONKWOAR-HXUWFJFHSA-N 337.350 3.517 0 1 EHAF Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587587129 LASDXJSYYNJOSG-FXAWDEMLSA-N 333.343 3.799 0 1 EHAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 587112410 JOPARCQFFQPXFX-KRWDZBQOSA-N 347.340 3.981 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-n1cccc1)[C@@H](C2)C3=O 587429259 AJABLHJBKVNWTH-KKSFZXQISA-N 331.371 3.975 0 1 EHAF Cc1coc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587774285 LVYMDRUGJRKTRA-FUXBKTLASA-N 325.181 3.508 0 1 EHAF CCC[C@@]1(c2c[nH]c(C(=O)O)c2)NCCc2c(OC)ccc(Cl)c21 963269481 JRZMQPJPMRCYPH-SFHVURJKSA-N 348.830 3.564 0 1 EHAF CC[C@]1([C@@H]2CCCNC2)c2ccsc2CCN1Cc1cccnc1 963006205 IJVUUFRPMPFTOB-XLIONFOSSA-N 341.524 3.806 0 1 EHAF N[C@@H]1Cc2c(Cl)cccc2[C@]12c1c(F)cccc1C[C@H]1CCCN12 963094296 CJQOQEFRZAYYMB-CFSSXQINSA-N 342.845 3.627 0 1 EHAF Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(=N)n(N)cnc32)cc1 5553455 JBWNVMWSJUKGMH-UHFFFAOYSA-N 349.825 3.649 0 1 EHAF CC(C)(C)[C@H]1C=C(C(=O)Nc2ccccc2)O[C@@H](OCCCCO)C1 12482453 AROXGCARACSYMF-MAUKXSAKSA-N 347.455 3.707 0 3 EHAF C/C(NNc1ccc(Cl)cc1)=C(/N=O)C(=O)Nc1ccccc1 13122478 USXFWRFQFFMKID-PTNGSMBKSA-N 330.775 3.893 0 3 EHAF CCCCCCC(=O)N[C@@H]1CCCCN(Cc2ccc(C)cc2)C1=O 200052189 JQOOFRCVTWKYSQ-LJQANCHMSA-N 344.499 3.963 0 3 EHAF CC(C)Oc1cccc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1 204754435 YNYGYKNLVMLFSO-UHFFFAOYSA-N 335.367 3.649 0 1 EHAF Nc1ccc2c(c1)sc(=O)n2CC(=O)c1ccc2ccccc2c1 1857576178 SBCCWBKAQIYKKV-UHFFFAOYSA-N 334.400 3.681 0 1 EHAF CN(C)Cc1cn(Cc2ccccc2)c2ncc(Br)cc12 1857775143 WXQQUVXSGPCXRV-UHFFFAOYSA-N 344.256 3.909 0 1 EHAF CCCn1c(CCC(=O)NC2CCCCCC2)nc2cccnc21 6737613 VGDNSLDYKFJYPM-UHFFFAOYSA-N 328.460 3.613 0 1 EHAF COc1ccc2c(c1)[C@H]1CN[C@H]2Cc2ccc(Br)cc21 100740082 WDZZIONYDSCSJX-IRXDYDNUSA-N 330.225 3.790 0 1 EHAF CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@H]2C(=O)O 104707636 XUGIJGUMARNJGR-AHCXZYCDSA-N 327.424 3.935 0 1 EHAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCOCC1 101109541 FIGPEMGECRRCGO-UHFFFAOYSA-N 331.416 3.917 0 1 EHAF CN(C(=O)CCCOc1ccc2c(c1)COC(=O)N2)C1CCCCC1 26822996 WRALSBOQUKPYRX-UHFFFAOYSA-N 346.427 3.699 0 1 EHAF C[C@@H]1CC[C@]2(C)C(CO)=CCC[C@H]2[C@@]1(C)CCC(=CC(=O)O)CO 2356463778 LRLROPFPFABQRF-PEFDPPPMSA-N 336.472 3.541 0 1 EHAF CCCCC[C@H](O)C=C[C@H](O)[C@@H]1C[C@H]1[C@H]1CC=CCCCC(=O)O1 2356523715 BUWOMMLMRPPTEZ-BRIYLRKRSA-N 336.472 3.523 0 1 EHAF CN(C)C=C(C(=O)Nc1ccccc1C(F)(F)F)C(F)(F)F 2356856891 SEJJDHNXZMYHST-UHFFFAOYSA-N 326.240 3.652 0 1 EHAF COc1ccc(C)c(Nc2ccnc(-n3cnc4ccccc43)n2)c1 36187670 RVVDPUXOUTYLSM-UHFFFAOYSA-N 331.379 3.876 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](NC(N)=O)CC[C@@]43C)[C@@H]1CCC2=O 84713788 MTTJAODBMLLQPF-NKURYSMOSA-N 332.488 3.635 0 1 EHAF NC(=O)N1CCCc2cc(-c3cncc(Oc4ccccc4)c3)cnc21 221466311 DXZUDMHKOVVKFW-UHFFFAOYSA-N 346.390 3.767 0 1 EHAF O=c1[nH]c2ccc(C(F)(F)F)cc2n1Cc1c(F)cccc1F 40845166 MSZLRJMCIIYHJP-UHFFFAOYSA-N 328.240 3.675 0 1 EHAF Nc1cnc(-c2ccc(-c3cccnc3N3CCCC3)cc2F)cn1 224709722 CKVDUVKINCGODG-UHFFFAOYSA-N 335.386 3.527 0 1 EHAF O=c1c(-c2ccc(O)c(Cl)c2)coc2c(Cl)c(O)cc(O)c12 140549651 DMNUOBBERBKDJU-UHFFFAOYSA-N 339.130 3.884 0 1 EHAF COC(=O)/C=C/c1ccc(OC/C=C(\C)C[C@@H](O)C=C(C)C)cc1 238769219 LTLZWHMFKURVPA-PKHGQIKDSA-N 330.424 3.915 0 1 EHAF Cc1ccc([C@@H]2C[C@H](O)Cc3cc(OC(F)(F)F)ccc3N2)o1 299829384 JWBCYOOOXOLSER-RISCZKNCSA-N 327.302 3.947 0 1 EHAF Cn1c2c(c(=O)c3ccc(C(F)(F)F)cc31)-c1ccccc1C2=O 473152732 VUNORLWCPMVUBI-UHFFFAOYSA-N 329.277 3.769 0 1 EHAF CCOc1ccc2nc(-c3cn4nc(SC)sc4n3)oc2c1 653670164 WJODHCFPTGMYAX-UHFFFAOYSA-N 332.410 3.720 0 1 EHAF Cc1cc(Cc2nc3nc(Cl)c[nH]c-3n2)ccc1Br 586977438 OVOJNBNLDWXRCW-UHFFFAOYSA-N 337.608 3.620 0 1 EHAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(OC)c(C)cc3[nH]2)cc1 587937181 NYCPKQYSSYPNEC-KPZWWZAWSA-N 326.396 3.726 0 1 EHAF NC(=O)c1cccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 587242750 QTKIEKZFMXRMSU-UHFFFAOYSA-N 344.374 3.778 0 1 EHAF O=C(c1n[nH]cc1Br)c1coc2ccc(Cl)cc12 587276160 LTNAEMWLVAQXST-UHFFFAOYSA-N 325.549 3.803 0 1 EHAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586894208 YVRPYWUVMVRXLZ-ORAYPTAESA-N 338.407 3.870 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCCc4ccc(OC)cc41)[C@@H](C2)C3=O 587442141 KCZDUWQFMMPODM-UWJYYQICSA-N 336.387 3.683 0 1 EHAF CCC(=O)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587403666 PLRYXCMRKRSYGZ-QGZVFWFLSA-N 325.364 3.599 0 1 EHAF Cc1scnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587851883 DAPGGZQOJDUONP-UOWDBTKRSA-N 341.249 3.977 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(O)CCCC2)N1 587823725 VVVNXBDPQOTONP-BMIGLBTASA-N 342.252 3.643 0 1 EHAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 587049401 HXIZRBJISRYBLP-UHFFFAOYSA-N 347.733 3.679 0 1 EHAF NC(=O)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587960586 FDBPQKCYNNXYKY-UHFFFAOYSA-N 327.387 3.920 0 1 EHAF Cc1[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C(=O)O 587527218 RJANQILZTDRXMB-MRXNPFEDSA-N 339.391 3.915 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(Cc3ccccc3)C1)O2 587396731 VXSVFFCXNIKBHR-NRFANRHFSA-N 336.435 3.577 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(F)c(F)cc(F)c1F)[C@@H](C2)C3=O 587422900 GQKUXVAYMNIINA-WNWIJWBNSA-N 338.256 3.740 0 1 EHAF Cc1c(F)ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966731 KFCNNXWOORJNMK-UHFFFAOYSA-N 341.371 3.748 0 1 EHAF CCS(=O)(=O)c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 587152062 YLSOGTZZZQAROD-XBXARRHUSA-N 348.374 3.805 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ncc(Cl)cc1F 963604808 FLMJHTCYZSFQBD-VVVCHXIZSA-N 336.794 3.515 0 1 EHAF CN1C(=O)C[C@@H]2CN[C@@](C)(c3cc(F)ccc3Cl)c3cccc1c32 963015888 ATQGZWXGZRNACJ-NSPYISDASA-N 344.817 3.796 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1c(C)cc(N)cc1C 963058354 OEDJVHQJRJFSAO-NRFANRHFSA-N 333.435 3.678 0 1 EHAF CNC(=O)C(=O)CCCCCCOc1ccc(-c2ccccc2)cc1 13553317 NCCVAHRKWSHQQH-UHFFFAOYSA-N 339.435 3.998 0 1 EHAF CC[C@@H](C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1 13725170 LGKGBFUZONVBIA-QGZVFWFLSA-N 347.503 3.539 0 1 EHAF CCc1ccc([S@@](N)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1 13902874 MIRLRFPIEZAJOE-QFIPXVFZSA-N 337.832 3.835 0 1 EHAF CC1(C)CCC[C@]2(C)[C@H]3CC(=O)c4c(coc4CO)[C@@H]3[C@@H](O)C[C@@H]12 15161680 KXSIOWQVBAURME-PRBYLRKDSA-N 332.440 3.655 0 1 EHAF COc1ccc2c(c1)CC[C@@H](C(=O)c1ccc(OC)cc1OC)C2 1857602904 XAYRCUVJDOKEFS-OAHLLOKOSA-N 326.392 3.700 0 1 EHAF Cn1c(C(=O)N[C@@H](CCO)c2ccccc2)cc2cc(Cl)ccc21 1857618685 VQWDPFZEZUXALX-INIZCTEOSA-N 342.826 3.685 0 1 EHAF CCCCC[C@@H](O)/C=C/[C@@H]1CCC(=O)N1CCCCCCC(=O)O 13488377 XOPMUDZOEKPBQZ-HZTRFMAJSA-N 339.476 3.510 0 1 EHAF Cc1ccccc1-c1cnnc(NCc2cc(-c3ccccc3)[nH]n2)n1 19792593 FIUKPTSXLASYQT-UHFFFAOYSA-N 342.406 3.849 0 1 EHAF CC[C@H]1CN2CC[C@H]1C[C@@H]2CN(Cc1ccco1)Cc1ccco1 20462711 XVYMYFVGEPSAIM-OKZBNKHCSA-N 328.456 3.995 0 1 EHAF biogenic C[C@@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CCc1ccccc1 40393997 RUMQBVLWLNKHTD-FQQGMQMYSA-N 348.490 3.552 0 1 EHAF CCS(=O)(=O)c1ccc2oc([C@@H]3CCc4ccccc4C3)nc2c1 59097012 XSNVXADZZMWFKD-OAHLLOKOSA-N 341.432 3.894 0 1 EHAF C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72135699 HABYHHAEXZCLGB-GRYWWZJOSA-N 333.516 3.847 0 1 EHAF CCOC(=O)c1c(N)sc2c1CCC(Br)=C2OCC 72138315 QNBFRLFMMANXHQ-UHFFFAOYSA-N 346.246 3.553 0 1 EHAF O[C@@](c1cccnc1)(c1cncc(F)c1)c1ccc(Cl)cc1F 72186607 SWZHALBNGGORGF-KRWDZBQOSA-N 332.737 3.692 0 1 EHAF Cc1cccc(-c2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)c1 96906572 NHDNZGVSBIDYEI-ROUUACIJSA-N 331.419 3.609 0 1 EHAF CN1C[C@H]2C[C@H]1[C@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2 100647393 VERXRKORTGMYCE-FFZOFVMBSA-N 335.447 3.628 0 1 EHAF COc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1-c1cn[nH]c1 221729915 NSQJYQIGGJGUKK-UHFFFAOYSA-N 341.798 3.669 0 1 EHAF COc1ccc(C=O)c2cc(-c3nc4cnc(Cl)cc4[nH]3)oc12 586902850 CMKZFCSJEJHYBF-UHFFFAOYSA-N 327.727 3.846 0 1 EHAF CCOC(=O)[C@H](N=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103785 JIFIMEKZEUMIMR-GOSISDBHSA-N 346.342 3.817 0 1 EHAF Cc1ccc2c(ccc3nc([C@@]4(N)C[C@H]4c4ccccc4F)[nH]c32)n1 587154316 DDQZRDVYAWTJRH-VBKZILBWSA-N 332.382 3.900 0 1 EHAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(C(=N)N)cc2[nH]1 587170164 KVGBXHZCBPVWRE-SNVBAGLBSA-N 328.416 3.882 0 1 EHAF CC(C)(C)OC(=O)NC1(c2nc3ccc(F)cc3[nH]2)CCC(=O)CC1 587234753 UZCUDUGYYWWXFR-UHFFFAOYSA-N 347.390 3.565 0 1 EHAF Oc1nc(O)c2cc3c(nc2n1)CC[C@@H]3c1ccc(C(F)(F)F)cc1 587369019 ZUJFLYANCDTSFO-SNVBAGLBSA-N 347.296 3.533 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)O2 587388166 XETWVQAEOQILPA-BLVKFPJESA-N 348.443 3.604 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCCC4)o1)[C@@H](C2)C3=O 587442386 JFANKUMRZWAHLA-VBKZILBWSA-N 339.391 3.767 0 1 EHAF CN(C)C(=O)C[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587503678 HQDULSCGWRLDSI-YCRPNKLZSA-N 341.451 3.548 0 1 EHAF Cn1nc(C(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587508991 VGMZYYSBBSGMNB-ZDUSSCGKSA-N 348.349 3.649 0 1 EHAF C[C@@H]1CC2(CC[C@@]13CC(=O)c1ccc4c(c1O3)CCCC4)OCCO2 587535165 JDQXRNPWLQWYMI-JLTOFOAXSA-N 342.435 3.833 0 1 EHAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc5c(cc4[nH]1)OC(F)(F)O5)(C3)C2 587970041 XOQPWIHZNRRZEH-JIIRDLKHSA-N 346.333 3.531 0 1 EHAF CCC(=O)O[C@H]([C@H](C)C(C)=O)[C@H](C)c1ccc(C)cc1C=CCO 2356841878 MIXMRTZVGMGBIC-STXHMFSFSA-N 332.440 3.651 0 1 EHAF COc1c(C)c(C/C=C(\C)CCCCO)c(OC)c(OC)c1OC 1650817 ZWSIESAPZRNMLS-JLHYYAGUSA-N 338.444 3.681 0 1 EHAF CC(C)[C@]1(O)CCC[C@]2(O)[C@@H]1CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]12C 2356397962 KWAJHVRAGSUICW-KFOHHENISA-N 338.488 3.596 0 1 EHAF CCCCN(CC)C(=O)c1nn(C)c2c1CSc1ccccc1-2 6817632 LXMMZIDASHRZQQ-UHFFFAOYSA-N 329.469 3.955 0 1 EHAF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1Cl 8239801 TZQMVDINOVVARO-LBPRGKRZSA-N 348.855 3.731 0 1 EHAF O=C(CSC1=NN/C(=C2/C=Nc3ccccc32)O1)c1ccccc1 100550541 JRGKDNOTOBKGKN-SAPNQHFASA-N 335.388 3.578 0 1 EHAF CSc1nnc(-c2nc3ccccc3n2Cc2ccc(F)cc2)o1 103283980 AYCNBGDCMQYVMU-UHFFFAOYSA-N 340.383 3.996 0 1 EHAF Cc1ccc(C(=O)CCCOc2ccc(C3=NCCO3)cc2)s1 27890501 HCMOVEPNVAIBLN-UHFFFAOYSA-N 329.421 3.875 0 1 EHAF O=C(NCc1nc2ccccc2[nH]1)Nc1nc2ccc(F)cc2s1 28864070 UOXXMPTZGKDCGX-UHFFFAOYSA-N 341.371 3.633 0 1 EHAF CC[C@]12CC=CCN1CCc1c([nH]c3ccccc13)[C@H](C(=O)OC)C2 2356611473 XVKIGDHYWANMRL-DYESRHJHSA-N 338.451 3.781 0 1 EHAF CC(=CC(=O)N[C@@H]1CCCCNC1=O)CC[C@@]1(C)C(C)=CCC[C@H]1C 2356676832 ZVDZALYKOIJILQ-OPYAIIAOSA-N 346.515 3.880 0 1 EHAF O=C(c1cccs1)N1CCC[C@H]1c1nc(-c2cccc(F)c2)no1 71341991 IQRJHPLBKRMXJJ-ZDUSSCGKSA-N 343.383 3.915 0 1 EHAF C[C@]12C=CC(=O)N[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCCO1 34801320 PJPLXNAOJADMRD-LVMMLMLSSA-N 329.484 3.833 0 1 EHAF Cc1ccccc1NC(=O)C[C@]1(C)N=C(c2ccccc2C)N(C)O1 74373201 VTZFQLAONOXZNS-HXUWFJFHSA-N 337.423 3.672 0 3 EHAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccccc3[nH]2)cs1 220716771 AICNOYKJROIDHS-UHFFFAOYSA-N 330.413 3.711 0 1 EHAF CC1=C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 85694488 OCBYZNFGCPOXBL-YANNOABASA-N 336.472 3.922 0 1 EHAF OCCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144777473 ZSZKCXNKKKHHSO-QGZVFWFLSA-N 338.325 3.617 0 1 EHAF CC[C@@]12CC=CCN1CCc1c([nH]c3ccccc13)[C@H](C(=O)OC)C2 238781627 XVKIGDHYWANMRL-UTKZUKDTSA-N 338.451 3.781 0 1 EHAF CN(c1cccc(O)c1)S(=O)(=O)c1ccc(-c2cccs2)cc1 96935502 HGIDCXXUTBGJIY-UHFFFAOYSA-N 345.445 3.946 0 1 EHAF Cc1ccncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587776643 YLEXLLGNESONBL-QFYYESIMSA-N 335.220 3.915 0 1 EHAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccnc(Cl)c3[nH]2)n1 587119742 VXUMXTLAVFOVJI-UHFFFAOYSA-N 341.724 3.752 0 1 EHAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ncc[nH]c-2n1 587121650 JFJKMKQHSDAJAX-UHFFFAOYSA-N 345.284 3.727 0 1 EHAF COC(=O)C[C@]1(C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587527603 XYRQEYDYOYQQPR-FQEVSTJZSA-N 328.408 3.633 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn3ccccc3n1)CC2=O 587490108 OMSMAOGGBHSEHY-HXUWFJFHSA-N 336.391 3.873 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)nn1C)[C@@H](C2)C3=O 587433374 WYJZVIDAVIZHJC-YCRPNKLZSA-N 346.386 3.584 0 1 EHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1nccs1)[C@@H](C2)C3=O 587454380 WYOYDXHGVNUMEO-MGPUTAFESA-N 349.411 3.843 0 1 EHAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c(S)nc(S)nc2[nH]1 587952948 YDVZOKNIHVVLNY-AEJSXWLSSA-N 338.502 3.977 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(F)c2)N1 587732443 MMUGYUFYDRCUCI-ANRSDYALSA-N 339.183 3.746 0 1 EHAF COC(=O)c1cccc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c12 587928723 BLUPWKNZNJNDGA-VLIAUNLRSA-N 336.391 3.803 0 1 EHAF COc1cccc2cc3c(nc12)[C@](Cc1ccccn1)(C1CC1)NCC3 963045558 HBNOANDUEQYUDV-QFIPXVFZSA-N 345.446 3.632 0 1 EHAF CN1Cc2c(C3=CCNCC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772638937 MBWPOBKGEBIBOJ-UHFFFAOYSA-N 334.398 3.696 0 1 EHAF COc1c2c(cc3occc13)O[C@](OC)(c1ccccc1)C[C@@H]2O 14677177 JGLSWGKFWYOQEY-LIRRHRJNSA-N 326.348 3.757 0 1 EHAF biogenic O=NCc1c(-c2ccc(Cl)cc2)n2c3c(cccc13)C(=O)NCC2 169718382 QEHIFSSBVSPFIV-UHFFFAOYSA-N 339.782 3.972 0 1 EHAF Cc1ccccc1/C=C1\CNC[C@@H]2C1=NC(=O)N[C@@H]2c1ccccc1C 169730023 YKPZXTZEYIUSDB-XCPVYAQNSA-N 345.446 3.812 0 1 EHAF COc1cc(OC)cc(-c2nc(Cc3c[nH]c4ccccc34)no2)c1 1857539500 FDGMXAOENDBXLR-UHFFFAOYSA-N 335.363 3.826 0 1 EHAF COc1cc(C(=O)c2cc3cc(C)ccc3[nH]2)cc(OC)c1OC 13471044 NBBXZKPKZILEFD-UHFFFAOYSA-N 325.364 3.733 0 1 EHAF CCCCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 6771957 SDUBKDSHBDEIKW-UHFFFAOYSA-N 331.416 3.971 0 1 EHAF O=C(N[C@@H]1CN2CCC1CC2)c1ccc(-c2ccccc2Cl)s1 28521319 DBQAISAIFZUCHJ-OAHLLOKOSA-N 346.883 3.893 0 1 EHAF CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCCC[C@H]1C 20900818 OCWXKTILNSVBCS-CQSZACIVSA-N 332.469 3.651 0 1 EHAF Cc1nccn1[C@@H](C)CC(C(N)=O)(c1ccccc1)c1ccccc1 26271353 IAUZDVPQNKBVGO-INIZCTEOSA-N 333.435 3.614 0 1 EHAF Cc1nc2ccc(CSC(=S)NC3CCCCC3)cc2c(=O)[nH]1 28333906 AGQSLGBLZKBVFZ-UHFFFAOYSA-N 347.509 3.672 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](O)[C@@]12C 2356569758 RHWFWNVZBUNMDN-BZDUDZIASA-N 332.396 3.502 0 1 EHAF CC1=C[C@]2(O[C@@H](COc3ccccc3)C1)C(=O)N(C)c1ccccc12 66123889 CMXOKAIKBGBGQL-DYESRHJHSA-N 335.403 3.673 0 1 EHAF CC(C)C[C@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 213625232 IZYVAELZXCDWDD-QWHCGFSZSA-N 336.237 3.852 0 1 EHAF CCc1nccnc1C(=O)CCN(Cc1ccccc1)C(C)(C)C 45366641 ITUBJSAQTPKAGG-UHFFFAOYSA-N 325.456 3.913 0 1 EHAF CCCCC[C@H]1C[C@@H](OC(=O)c2ccc[nH]2)C[C@@H]2C[C@H](C)OCN12 138354348 SGHXLRHVQDPMOF-LUKYLMHMSA-N 334.460 3.720 0 1 EHAF COC(=O)[C@@H](Cc1csc2ccccc12)NCc1ccccc1 45350584 KRGSHZQQRHSBRK-QGZVFWFLSA-N 325.433 3.775 0 1 EHAF COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(CCC(C)=O)CC3 147926042 XLVVIVMLBOGCGL-GIVPXCGWSA-N 327.468 3.733 0 1 EHAF Cc1cn(-c2ccc(F)cc2)c(=O)n2cc(COc3ccccc3)nc12 143346975 KKAQSQHMORWTJK-UHFFFAOYSA-N 349.365 3.512 0 1 EHAF COc1ccc([C@H](C(=O)NC2CCCC2)N2C[C@@H](C)C[C@@H](C)C2)cc1 621436822 PAQXPCNSQCVWRB-GQIGUUNPSA-N 344.499 3.773 0 1 EHAF COc1cc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1OC 586887734 IZDQPAUQIAGAOD-SGTLLEGYSA-N 326.396 3.726 0 1 EHAF CCOc1ccc(F)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427081 GRZMUPKDKJLCCU-AUUYWEPGSA-N 328.339 3.722 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCC2=O)N1 587823702 QZDSEXKFCYPEFR-SEFYAATASA-N 340.236 3.707 0 1 EHAF CC(C)(C)c1[nH]c2ccc(F)c(Cl)c2c1-n1cc(C(=O)O)nn1 587631994 OSWARPPTDLBPIZ-UHFFFAOYSA-N 336.754 3.537 0 1 EHAF COc1cncc2nc(CCCOc3ccc(Cl)cc3C)[nH]c12 587066149 KHLUYNZYDNGUFF-UHFFFAOYSA-N 331.803 3.940 0 1 EHAF COc1nccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074861 DTMNRRPIZDIKGU-HNNXBMFYSA-N 342.830 3.957 0 1 EHAF O=C([C@H]1CCN1Cc1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587877021 ZDWVKRZQEQDTFO-QGZVFWFLSA-N 349.365 3.710 0 1 EHAF COc1cncc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029972 WIXNYOFVDXSEBF-UHFFFAOYSA-N 338.392 3.669 0 1 EHAF FC(F)(F)c1cccnc1-c1nc2ccc(Br)nc2[nH]1 587109081 RQAUTKGMMQUAQZ-UHFFFAOYSA-N 343.106 3.801 0 1 EHAF COc1cc2c(cc1OC)[C@](C)(c1cncc(Cl)c1)N(C)[C@H](C)C2 962572924 RAINXPBPZSBJLS-BLVKFPJESA-N 346.858 3.892 0 1 EHAF COc1cccc(C)c1[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962702552 BAWLHDMJTXZEKK-WMLDXEAASA-N 349.352 3.739 0 1 EHAF Cc1cc(F)c(C(=O)Nc2ccccn2)cc1-n1cnc(C2CC2)c1 1772654193 CCQFNUGZTSLAOK-UHFFFAOYSA-N 336.370 3.845 0 1 EHAF C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(C(=O)c3ccccc3)cc2)C1=O 169720211 GYDRFPNNAMYDNO-RBZFPXEDSA-N 338.428 3.697 0 1 EHAF O=N[C@H]1c2ccccc2O[C@]2(C(=O)Nc3ccc(Cl)cc3)C[C@@H]12 169724340 AGFWFCJSFBBCIJ-JLJPHGGASA-N 328.755 3.937 0 1 EHAF CC(=O)c1cccc(-c2ccc3ncc(-c4cccc(O)c4)n3n2)c1 1857605450 QULLUPXWJNVQQE-UHFFFAOYSA-N 329.359 3.972 0 1 EHAF CCCCCCOc1ccc2c(CCC(=O)O)c(C(=O)O)[nH]c2c1 1857762834 LTXBACRGTNTVAA-UHFFFAOYSA-N 333.384 3.842 0 1 EHAF CC(=O)n1cc([C@H]2C[C@@]23N=C(c2ccccc2)OC3=O)c2ccccc21 1658322 COXOBFSHHBLWJW-DYESRHJHSA-N 344.370 3.531 0 1 EHAF CC[C@H](C)C(=O)O[C@@H]1CC(C)=C[C@H](O)[C@@H]1[C@](C)(O)CCC=C(C)C 2356470788 JUXQSTHZYPGVLK-HBWRTXEVSA-N 338.488 3.769 0 1 EHAF CC(C)=CCC(=O)[C@H](C)CCC[C@@]1(C)OCC(=CCO)CC[C@H]1O 2356415024 XRDHAXIOHKTIGF-NSISKUIASA-N 338.488 3.567 0 1 EHAF COc1cc2c(cc1OC)[C@@H](c1ccccc1Br)NCC2 29125338 AXOQZSCPPBRDTD-QGZVFWFLSA-N 348.240 3.701 0 1 EHAF COc1cc2[nH]c(C(=O)c3ccc(C)cc3)cc2c(OC)c1OC 66074248 LCSHDCIWDMUBDO-UHFFFAOYSA-N 325.364 3.733 0 1 EHAF C[C@@H]1C(=O)C[C@@]23CCN(CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@@H]3[C@H]1C 29219835 OPCNDODYLHTBLM-WLTKZORUSA-N 339.479 3.532 0 1 EHAF CC[C@H](c1ccc(CO)c(O)c1)[C@H](CC)c1ccc(CO)c(O)c1 27654273 QNSDMFYAVJZCQG-QZTJIDSGSA-N 330.424 3.770 0 1 EHAF CO[C@@H]1CC(=O)[C@@H]2[C@@]34CC[C@@H]5CCCC[C@@H]5[C@@]3(C)[C@@](C)(CC4)[C@@]12O 2356729286 UOMOARKIWGVFQS-IQQSKWPFSA-N 332.484 3.728 0 1 EHAF COC[C@H](CNC(C)=O)c1c(-c2ccccc2)n(C)c2ccccc12 36242981 HLSHWPRLCJLINM-KRWDZBQOSA-N 336.435 3.711 0 1 EHAF Nc1cccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)c1 96173949 DKOWWLJOPQFBMG-UHFFFAOYSA-N 326.363 3.636 0 1 EHAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2c(c1)OCO2 95588137 VADRURNWPYMJLW-MRXNPFEDSA-N 342.782 3.766 0 1 EHAF COc1ccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)cc1 143977730 AUSAEUSRJSKIJN-UHFFFAOYSA-N 334.375 3.846 0 1 EHAF Cc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587852179 DPRJDCMPSGDLNI-WPPNPWJKSA-N 341.249 3.977 0 1 EHAF Cc1cccnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587772635 OTHKUSMHJUHOKV-QLJPJBMISA-N 335.220 3.915 0 1 EHAF Cc1c(Br)cc2nc(CC(C)(C)CC(=O)O)[nH]c2c1C 587956320 WVGSJDHNAOMFSH-UHFFFAOYSA-N 339.233 3.986 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc([S@@](C)=O)cc1)CC2=O 587492182 NLGIEEHMJWGZNH-MHECFPHRSA-N 344.432 3.789 0 1 EHAF COc1ccc(C2(c3nc4c(N)ccnc4[nH]3)CC3(CCC3)C2)cc1 587934515 BWAQVGGEVQTGMF-UHFFFAOYSA-N 334.423 3.799 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1nn(C)c3ccccc13)CC2=O 587475304 LWNVFSPJCCSBTR-GOSISDBHSA-N 336.391 3.938 0 1 EHAF O=C1c2ccccc2-c2cc(-c3ccncc3O)nc3ccc(O)c1c23 586987987 JWEGIDZGCTVUJC-UHFFFAOYSA-N 340.338 3.919 0 1 EHAF COc1cccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 586983279 ADTJXLQLVKALFT-LBPRGKRZSA-N 346.228 3.577 0 1 EHAF N=c1[nH]ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587138202 ZYZARPSPZONKOP-UHFFFAOYSA-N 341.571 3.592 0 1 EHAF CS(=O)(=O)c1cccc(C(=O)c2coc3ccc(Cl)cc23)c1 587278377 GGEFEJBVPIVEPY-UHFFFAOYSA-N 334.780 3.721 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccc(OC)c(C)c14)[C@@H](C2)C3=O 587437560 GXSVYWKSQPDCDM-YEJXKQKISA-N 349.386 3.982 0 1 EHAF CCCc1sc(=N)[nH]c1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587012686 FIXWZTLLGJRPEN-UHFFFAOYSA-N 328.228 3.753 0 1 EHAF CC(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587041626 ODWFJEDDVZMZSH-MSOLQXFVSA-N 337.448 3.712 0 1 EHAF CCOC(=O)COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587211054 BKWKLCNMHMAKHK-UHFFFAOYSA-N 333.387 3.942 0 1 EHAF CC(C)[C@@H]1C[C@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)c2ccccc21 962889951 ABNVBYNSYPCOTN-NBHGPNQESA-N 339.410 3.812 0 1 EHAF Cn1cc2cccc([C@@]3(C)c4c(F)cccc4C[C@@H]4CCCN43)c2n1 963101875 MHKQYPFHQWNRTM-KKSFZXQISA-N 335.426 3.996 0 1 EHAF COc1cccc2c3c(cnc12)CCNC3(c1ccco1)c1ccco1 963036836 ORNRDGDFWAPDAQ-UHFFFAOYSA-N 346.386 3.867 0 1 EHAF Cn1ncc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1C(F)(F)F 963114532 UPUMQGWRMIKHAC-WFASDCNBSA-N 339.336 3.688 0 1 EHAF Cc1cccnc1CNc1nncc(-c2ccc(C(F)(F)F)cc2)n1 11667065 PRZGYYJJODBATF-UHFFFAOYSA-N 345.328 3.873 0 1 EHAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H]4[C@@H]5C(=O)CC[C@](C)([C@H]3CC[C@]12C)[C@@H]54 169302488 SIPQRLNNUOGJNE-MCISIEKSSA-N 330.468 3.996 0 1 EHAF Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c([C@@H]5CCCN5)n4)cc23)cc1 166664472 OJZXSLXDZLIMKD-INIZCTEOSA-N 348.385 3.579 0 1 EHAF Cc1cccc(Cl)c1Cn1nc(Cl)c2ncc(C(=O)O)cc21 203425291 APUYTWRFCHYMMA-UHFFFAOYSA-N 336.178 3.793 0 1 EHAF Cc1cccc([C@@H]2CCCN2CCCn2nnc(-c3ccccc3)n2)c1 1857544655 IEYFRHLUDPEPCX-FQEVSTJZSA-N 347.466 3.876 0 1 EHAF O=C(Nc1ccc([C@@H]2CCCNC2)cc1)Nc1ccc(Cl)cn1 117719527 RRCNBQYNNZHEQJ-CYBMUJFWSA-N 330.819 3.846 0 1 EHAF O=C1[C@H]2CC[C@@H]3C(=O)C(Cl)(Cl)[C@@H]3CC[C@H]2C1(Cl)Cl 1642227 OJSQVYQBBPSAHU-RULNZFCNSA-N 330.038 3.538 0 1 EHAF O=C(c1cc(C2CC2)n[nH]1)N(Cc1ccc(O)cc1F)CC1CCC1 103232645 RXJWEHCDANSLAH-UHFFFAOYSA-N 343.402 3.574 0 1 EHAF CS(=O)(=O)c1ccc(-n2cncc2-c2ccc(Cl)cc2)cc1 53312541 WEGKESGAOAICLZ-UHFFFAOYSA-N 332.812 3.596 0 1 EHAF CC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 64274871 JRFKMKQFKMZKTE-MRXNPFEDSA-N 349.217 3.910 0 1 EHAF CCc1cnc(Nc2nc([C@@H](N)Cc3ccc(F)cc3)cs2)nc1 61897254 IXROEEHBISLCJP-AWEZNQCLSA-N 343.431 3.621 0 3 EHAF CCCC(CCC)C(=O)OC[C@H](CO)OC(=O)C(CCC)CCC 38634374 VRHHCIFJHPYESE-KRWDZBQOSA-N 344.492 3.867 0 1 EHAF in-vitro C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(CC(=O)N1)C2 40394689 KGAVVPASANRIHQ-XGBBNYNSSA-N 333.472 3.743 0 1 EHAF CC(C)[C@@H](CO)Nc1nccc2[nH]c(-c3ccccc3Cl)nc12 82082483 ILRYMFOPXFAWAK-CQSZACIVSA-N 330.819 3.707 0 1 EHAF CC1=C[C@@H]2OC(=O)C(C)=C2C[C@H](O)C(C)=CCC[C@]2(C)O[C@H]2CC1 299806770 RBYVYDNIAHQGRU-JPLJXNOCSA-N 332.440 3.603 0 1 EHAF NCCOc1cccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)c1 473093013 SRNVWQXDZWXKFC-UHFFFAOYSA-N 342.345 3.737 0 1 EHAF CN(C)C(=O)c1ccc(-c2nc3cccnc3n2C2CCCC2)cc1 299829494 VFQXVEFEMKVMIS-UHFFFAOYSA-N 334.423 3.915 0 1 EHAF C[C@@H]1CC2(C[C@@H](C)O1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587616178 JAISILYTLFJLFW-PBFPGSCMSA-N 340.375 3.680 0 1 EHAF C[C@H]1C[C@@]2(C[C@@H](C)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 587829236 BINQKQXWPVPMAH-OJLPPKNESA-N 342.252 3.905 0 1 EHAF Cc1cc(Br)cc2[nH]c(-c3ccc(N(C)C)cn3)nc12 587195111 QZQOZPRBDBAKPV-UHFFFAOYSA-N 331.217 3.762 0 1 EHAF NCc1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587246244 NCBCLGXEJQSUAQ-UHFFFAOYSA-N 338.155 3.729 0 1 EHAF Cc1ccc(-n2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 587391603 NXHXOILRASMSBD-IBGZPJMESA-N 333.391 3.778 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccncc1Cl 587870840 JONRJLBYVREGGO-UHFFFAOYSA-N 345.761 3.825 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(C13CC(C(C)=O)(C1)C3)CC2=O 587489139 MQVSCNCICRXJNA-HDYDNRTBSA-N 328.408 3.828 0 1 EHAF COC(=O)Cc1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587783274 LTPJZTPCPLTJQI-UHFFFAOYSA-N 336.178 3.647 0 1 EHAF Cc1nc(C)c(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)s1 587012093 NWKUCCSASZJMEQ-UHFFFAOYSA-N 347.753 3.641 0 1 EHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(C)cnc(Cl)c2[nH]1 586963382 MJEYUPVZLXJODI-VIFPVBQESA-N 349.847 3.967 0 1 EHAF Cc1c(-c2nc3cccc(C(N)=O)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165714 AVIGJBKBRYTUJI-UHFFFAOYSA-N 348.381 3.782 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](Cn1cccn1)(C(C)(C)C)CC2=O 587480920 WTZVZXHVNPKRKZ-FQEVSTJZSA-N 342.439 3.992 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)nc3sccn13)O2 587415827 YSNXWPKEWLEDFI-INIZCTEOSA-N 347.827 3.820 0 1 EHAF CCN(CC)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 587386495 JZDNMGLACFOJRV-LJQANCHMSA-N 340.423 3.836 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(Br)cc1C)O2 587371156 ITNUTMBZSLUZSN-CQSZACIVSA-N 347.212 3.750 0 1 EHAF Nc1cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2cc1N 587164276 ZZFOWXLQKXUSRU-UHFFFAOYSA-N 346.365 3.764 0 1 EHAF Cc1n[nH]c(C)c1CCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874907 FGXWDBMMCUOANH-UHFFFAOYSA-N 326.331 3.408 0 1 EHAF O=c1ccn(-c2cc(-c3ccc(Cl)c(Cl)c3)ccn2)cc1O 149855317 GWOKGPRSSNNVTF-UHFFFAOYSA-N 333.174 3.912 0 1 EHAF CC1=C(C)[C@@]2(CC1)N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962969175 PTRSOFLFLDKNHW-MLGOLLRUSA-N 327.758 3.543 0 1 EHAF COc1cc(O)cc2c1C(=O)O[C@H](C)CCCC(=O)CCC/C=C/2 13143336 ICQQTCYRFZNFGZ-FLUIGGAXSA-N 332.396 3.883 0 1 EHAF CNCCC[C@H]1Cc2cc(F)ccc2N(c2ccc(C)cc2)C1=O 13978112 BEKVIGOVWYQMOT-HNNXBMFYSA-N 326.415 3.971 0 1 EHAF O=C(CC1CC1)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167137392 JVCXKFLAIRHROX-UHFFFAOYSA-N 335.407 3.973 0 1 EHAF CSc1nnc2c(n1)O[C@@H](/C=C/c1ccco1)Nc1ccccc1-2 86038 ZIXRBIBQIPHFCY-VFNNOXKTSA-N 338.392 3.697 0 1 EHAF N=C(N)c1ccc(NC(=O)c2cccc(-c3ccccc3)c2O)cc1 12354859 PDIGNHUONMVTCD-UHFFFAOYSA-N 331.375 3.596 0 1 EHAF COc1cc(C(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1OC(C)=O 12655402 KUGMSYFFXZDRGR-GZRFBZBPSA-N 346.423 3.992 0 1 EHAF C[C@@H]1CCCC[C@H]1n1cnc2c(sc3nccc(N(C)C)c32)c1=O 13676127 DJZFVYFKKWLWNN-VXGBXAGGSA-N 342.468 3.823 0 1 EHAF Cc1ccccc1S(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1 13728191 NGZZNYDMMUHLOO-UHFFFAOYSA-N 339.460 3.744 0 1 EHAF O=[S@@]1c2ccccc2CCC12CCN(Cc1ccccc1)CC2 13779397 QZTBMIWQKQVGNL-QHCPKHFHSA-N 325.477 3.775 0 1 EHAF CCC[C@@H](CC1(NC(=O)C2Cc3ccccc3C2)CCCC1)C(=O)O 35845967 BCZSKNIKZJRWIB-KRWDZBQOSA-N 343.467 3.721 0 1 EHAF COc1ccc(COc2ccc([C@@H](C3CC3)n3cncn3)cc2)cc1 96938225 NWFDTEFHXUYRJZ-HXUWFJFHSA-N 335.407 3.865 0 1 EHAF CO[C@H](C(=O)N(C)C)c1cccc(COc2cc(C)ccc2C)c1 103177362 RWPCPPRBMBKCNC-IBGZPJMESA-N 327.424 3.658 0 1 EHAF O=c1c(-c2nnc(-c3ccc(Cl)cc3)s2)cnc2ccccn12 103186731 STABEHLOFUCGKV-UHFFFAOYSA-N 340.795 3.533 0 1 EHAF COC(=O)c1ccc2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc2c1 200776114 BIORTLFUMKDRIV-UHFFFAOYSA-N 349.342 3.577 0 1 EHAF COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CCOC3)[C@H](C)C[C@H](O)[C@@]12C 238733135 RMDVTBQPOFJSNM-WTLMAMESSA-N 348.483 3.646 0 1 EHAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 586885221 BRIRDCJHHVYOKF-QFYYESIMSA-N 328.343 3.546 0 1 EHAF CC1(C)OC(=O)C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 586906297 KSWFHVJNCWXBGU-ZETCQYMHSA-N 343.608 3.788 0 1 EHAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(Cl)nc2[nH]1 587040640 PSVJSFBHUXOBKX-VIFPVBQESA-N 340.836 3.594 0 1 EHAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cnc(Cl)[nH]c-2n1 587068885 FHWPKGWNIVZVJB-QMMMGPOBSA-N 335.194 3.988 0 1 EHAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)n1 587079856 LGPJYCCLTNUVCD-RTHLEPHNSA-N 332.795 3.775 0 1 EHAF Clc1cnn2c(-c3nc4ncccc4[nH]3)cc(-c3ccccc3)nc12 587081797 VGNVYAQDCYIONM-UHFFFAOYSA-N 346.781 3.988 0 1 EHAF COc1cc(-c2nc3ccc(F)c(F)c3[nH]2)nn1-c1ccccc1F 587155400 FXJRVRGLCRTQRJ-UHFFFAOYSA-N 344.296 3.842 0 1 EHAF COC[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344950 DIRWMXGHESFBRQ-AZUAARDMSA-N 344.382 3.931 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2cccc3cccc1c23 587410316 ZZJDVNGBVWHGJM-NRFANRHFSA-N 329.355 3.787 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1nc(C)no1)[C@@H](C2)C3=O 587436891 CFIOKNYSFVDXKG-HNAYVOBHSA-N 348.358 3.542 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)ccn1)CC2=O 587483377 CLYLFAWHRGGOBN-SFHVURJKSA-N 327.380 3.845 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@@H](C2(C)C)[C@]1(C)O 587491962 XUXFVBNOJQTQKE-MWKWAHRJSA-N 344.451 3.866 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCOCC2)N1 587833077 FJIXOKCYTDXYKV-PSLIRLAXSA-N 328.225 3.590 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CCSC2)N1 587857758 MZODEOBTJQXTQT-CLAHSXSESA-N 328.250 3.837 0 1 EHAF CC(C)(C)c1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)[nH]n1 587874794 CHXYVZZMWNSSLE-UHFFFAOYSA-N 326.331 3.504 0 1 EHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(OC)nc2[nH]1 587928168 XCZWZXPFXFYGBU-GFCCVEGCSA-N 327.384 3.526 0 1 EHAF COc1ncc(-c2cccc3c2/C(=C/c2[nH]c(C)cc2C)C(=O)N3)cn1 653661106 RZNOMBRGJBNKBF-NVNXTCNLSA-N 346.390 3.590 0 1 EHAF CC1(C)CCC[C@@]12N[C@@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962708835 KYAVXWSFFFJWGD-CJNGLKHVSA-N 345.336 3.849 0 1 EHAF Cc1cccc(C[C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962728514 FEGCBXJBDWQUCZ-DLBZAZTESA-N 333.353 3.925 0 1 EHAF CC(C)[C@H]1C[C@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)c2ccccc21 962889941 ABNVBYNSYPCOTN-LKUPVBHCSA-N 339.410 3.812 0 1 EHAF Cc1ccc([C@]2(C3CC3)NCCc3ccc(C(=O)N(C)C)cc32)c(C)c1 962928049 GIKSOJBDJQQLGL-QHCPKHFHSA-N 348.490 3.805 0 1 EHAF CC(C)=C[C@@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186825 RHUDZPGJWSSZFF-QWHCGFSZSA-N 333.737 3.965 0 1 EHAF NCc1cc(Oc2cccc(-c3cn[nH]c3)c2)nc(C(F)(F)F)c1 1857571830 REAYFGLASQTHKB-UHFFFAOYSA-N 334.301 3.742 0 1 EHAF COc1cc(-c2cc3cccc(C)c3oc2=O)cc(OC)c1OC 1857583016 GJHMFSWAQGAFON-UHFFFAOYSA-N 326.348 3.794 0 1 EHAF Cc1cc(OCc2ncc(-c3ccccc3)o2)ccc1OCC(=O)O 1857584935 CADBJSZTACAEKU-UHFFFAOYSA-N 339.347 3.692 0 1 EHAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NC1CCCC1 2356589486 ZNOBXWDTHVUYMV-SNVBAGLBSA-N 334.803 3.721 0 1 EHAF NC(=O)[C@@H](Nc1ccccc1)c1ccccc1OCc1ccccc1 103262906 MYQAINVHTGAZET-FQEVSTJZSA-N 332.403 3.904 0 1 EHAF C[C@H]1O[C@@](/C=C/C2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O 29206074 HKJDKJAZZLLONW-SODKBZIWSA-N 329.293 3.907 0 1 EHAF CC(=O)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243509 IAJJQWGFMVPJSM-UHFFFAOYSA-N 343.766 3.984 0 1 EHAF C[C@@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCC1=CC(=O)O[C@H]1O 2356595713 QUBSKTZAKHEGEY-DWHJOXNESA-N 334.456 3.626 0 1 EHAF CC(=O)O[C@@H](C=Cc1ccccc1)C[C@@H](O)CCc1ccc(O)cc1 2356599051 MAQHCBOMAHBYCF-SFTDATJTSA-N 340.419 3.721 0 1 EHAF CCCC(=O)N(Cc1ccco1)[C@@H](CC)C(=O)NC1CCCCC1 2356863497 VGNZLQVZMFEWJW-KRWDZBQOSA-N 334.460 3.636 0 1 EHAF COc1ccc([C@@H]2COc3c(ccc4occc34)C2)c(OC)c1O 14710435 DGWRIGGEKQHRTA-LBPRGKRZSA-N 326.348 3.874 0 1 EHAF biogenic COc1cc(C(=O)c2oc3ccccc3c2C)cc(OC)c1OC 45367427 PUJIYWUJKVAXMJ-UHFFFAOYSA-N 326.348 3.998 0 1 EHAF COc1cc(Cl)ccc1O[C@@H](c1ccccc1C)[C@H]1CNCCO1 89465199 QMMAMXVYCMLPGH-MOPGFXCFSA-N 347.842 3.766 0 1 EHAF in-vitro Oc1cccc(Cc2ncc[nH]2)c1Oc1cccc(Cc2ncc[nH]2)c1 85996402 RQNSAUQJLRAUMV-UHFFFAOYSA-N 346.390 3.812 0 1 EHAF endogenous,in-man Cc1ccc([C@H](NCC(C)C)[C@H](CO)OCc2ccccc2)cc1 40955833 XUAWUCNOQRRJPU-SFTDATJTSA-N 327.468 3.859 0 1 EHAF COc1ccc(CCc2cc(=O)c3cc(O)cc(Cl)c3o2)cc1 238786306 GHIOLDKQWNBGJT-UHFFFAOYSA-N 330.767 3.946 0 1 EHAF COc1ccc(-c2ccccc2OC(F)(F)F)cc1OC1CNC1 96175874 LNAJGVAUKKGNMI-UHFFFAOYSA-N 339.313 3.611 0 1 EHAF C[C@@]1(c2cccc(-c3cccnc3)c2)N=C(N)c2c(F)cccc2O1 96906010 IOXZOQBTPNNBOY-HXUWFJFHSA-N 333.366 3.858 0 1 EHAF CCS(=O)(=O)c1ccccc1-c1nc2cnc3ccccc3c2[nH]1 586923022 WCRMKFNBHXPGAP-UHFFFAOYSA-N 337.404 3.572 0 1 EHAF Cc1cc(Br)cc2nc(-c3cccc(NC(N)=O)c3)[nH]c12 587241269 AMMYYXXVNIZMAM-UHFFFAOYSA-N 345.200 3.791 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(OC(F)F)c1)[C@@H](C2)C3=O 587424528 ZMXJSMZDCUJGBK-LIRRHRJNSA-N 346.329 3.959 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)ccc1OC)[C@@H](C2)C3=O 587426507 CZBXMRAGGZVFBR-LIRRHRJNSA-N 328.339 3.506 0 1 EHAF Cn1cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576764 KLKWDVRTDMEVRO-YLJYHZDGSA-N 335.359 3.608 0 1 EHAF COc1ccc(CCCc2nc3cc(OC)c(F)cc3[nH]2)c(OC)c1 587929583 XRXOWZHUIWSCOQ-UHFFFAOYSA-N 344.386 3.903 0 1 EHAF COc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cn1 587136162 KVZOZHADXNWEDA-UHFFFAOYSA-N 330.363 3.532 0 1 EHAF Cc1cnccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587770530 AKSDECPJAVFKER-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(C)c(C)c2[nH]1)C(C)C 586933151 NCBRSJIEZPQKTE-HNNXBMFYSA-N 337.489 3.596 0 1 EHAF Fc1cncc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587177272 TTXSDFSGSHJWDR-UHFFFAOYSA-N 328.091 3.805 0 1 EHAF COC[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791629 KFIKUWVJEZQQBI-BONVTDFDSA-N 330.241 3.620 0 1 EHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)ncc2[nH]1 587078705 AAFGKOZCVXRPIQ-NSHDSACASA-N 346.221 3.989 0 1 EHAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1CCF 587505581 MCOIKLSRCNTAAY-GOSISDBHSA-N 328.387 3.746 0 1 EHAF Cc1cc(F)c2[nH]c([C@]3(C)C=C(c4ccccc4F)NO3)nc2c1 587156383 MQDBPIKIFUBDQJ-SFHVURJKSA-N 327.334 3.941 0 1 EHAF C[C@H](c1nc2ccc(Br)cc2[nH]1)n1cc(Cl)cn1 587080698 XOKWRTIGITZYER-SSDOTTSWSA-N 325.597 3.785 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-n1cncn1)CC2=O 587476530 PMVAYSLPWHHDKK-LJQANCHMSA-N 349.390 3.632 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1nc4ccccc4nc1C)[C@@H](C2)C3=O 587435064 BFGDFQQZVFPVCC-LHSJRXKWSA-N 346.386 3.610 0 1 EHAF Sc1nnc(SCc2nc3ccc4c(c3[nH]2)CCCC4)s1 587025587 OPOAWUCXVDKSHI-UHFFFAOYSA-N 334.495 3.874 0 1 EHAF C[C@@]1(c2cccc3c2OCO3)c2c(F)cccc2C[C@@H]2CCCN21 963098089 FZTTVLOLYJOXNH-VBKZILBWSA-N 325.383 3.838 0 1 EHAF COc1ccc2c(c1OC)[C@@](c1ccccn1)(C(C)C)N(C)[C@@H](C)C2 962642646 ZKVOXIXNBLGGTJ-BTYIYWSLSA-N 340.467 3.875 0 1 EHAF COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@]12Cc1ccc(C)cc1C2=O 5539589 PAFFCZGLZIWCIM-LAUBAEHRSA-N 348.402 3.817 0 1 EHAF CCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1C2 13453833 ZLFLUZOZKIPTJJ-QUCCMNQESA-N 330.472 3.873 0 1 EHAF Cc1cc(NC(=O)c2ccc3nc(N4CCCC4)sc3c2)ccn1 169303184 GCCCDLMNPHCHCI-UHFFFAOYSA-N 338.436 3.852 0 1 EHAF Cn1c(=N)n(CCOc2ccc(Cl)cc2)c2cccc(Cl)c21 169310419 FQJGSCZELGDAHP-UHFFFAOYSA-N 336.222 3.845 0 1 EHAF CCC(C)(C)CSCCCNC[C@H](O)COc1ccccc1 169331253 BGOLCSCOTCCXRB-INIZCTEOSA-N 325.518 3.575 0 1 EHAF COC(=O)C1=C[C@]2(c3ccc(OC)cc3[C@@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 169333315 UTUGSVCJDIQAGE-NROOXJNGSA-N 340.419 3.576 0 1 EHAF CCCCCC(=O)N[C@@H]1CCCCN(Cc2ccc(C)cc2)C1=O 200052130 LPNOFQILIVPYFL-GOSISDBHSA-N 330.472 3.573 0 3 EHAF O=C(O)CCCSc1nnc(-c2ccccc2C(F)(F)F)o1 1857560937 GJROEWUCWLHYFX-UHFFFAOYSA-N 332.303 3.712 0 1 EHAF O=C1/C(=C/c2ccc3c(c2)OCO3)CCN1Cc1c(F)cccc1F 1857756059 ADURDKGZLDAFHP-MDWZMJQESA-N 343.329 3.509 0 1 EHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(\O)OCC)[C@@H]1c1ccccc1 100015288 QASJJMUUEHQQOT-LXMVLSBBSA-N 329.396 3.888 0 1 EHAF COc1ccc(Sc2ccc(NC3=NC(C)(C)CN3)cc2)cc1 25999805 HWPMWAPHWGWUIX-UHFFFAOYSA-N 327.453 3.996 0 1 EHAF Cc1ccc(C2=[N+]([O-])c3cc(-c4cnc(N)nc4)ccc3[C@H]2C)cc1 28455508 LIMOGRFVWSBSOR-CYBMUJFWSA-N 330.391 3.782 0 1 EHAF Cc1ccc(C=C[C@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1 2356752759 ORKPDSLAYAWIOF-QFIPXVFZSA-N 332.447 3.941 0 1 EHAF COc1cc(CCCO)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C 14584474 JJPULWMQUWTWAT-CWTRNNRKSA-N 342.391 3.586 0 1 EHAF biogenic COc1ccc(C2=C(CCNC(C)=O)c3c(ccc4c3CCO4)C2)cc1 71316508 CABJAVHFDRCPIL-UHFFFAOYSA-N 349.430 3.623 0 1 EHAF O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)O1)c1ccccc1 135822943 JRGKDNOTOBKGKN-VKAVYKQESA-N 335.388 3.578 0 3 EHAF CCCCCN1C(=O)CN(C)c2ncc(-c3ccc(F)c(F)c3)cc21 43059319 YNBYUDOSGPKINH-UHFFFAOYSA-N 345.393 4.000 0 1 EHAF Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H]3CCCO3)c2F)cn1 224552937 KKWBZMCSEGNNLQ-CYBMUJFWSA-N 343.402 3.690 0 1 EHAF CC[C@@]12CCCN(CCc3c([nH]c4ccccc34)[C@H](C(=O)OC)C1)C2 85982304 JFLTVMWSBAMWAW-DYESRHJHSA-N 340.467 3.863 0 1 EHAF CCCCCN(C)C[C@@H]1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21 299810809 KJPHFOMMCVAENK-MFPFFRNPSA-N 349.515 3.944 0 1 EHAF O=C(NC[C@@H]1CCc2ccccc2N1Cc1ccccc1)C1CCC1 473112250 BUSSQDIMFNHHOV-FQEVSTJZSA-N 334.463 3.924 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc[nH]1 587866870 RGHHXAAGMVHPTQ-UHFFFAOYSA-N 349.312 3.984 0 1 EHAF COC(=O)c1cc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1OC 586883063 GCJOZQJKKBEVKM-GAYGKOFMSA-N 340.423 3.826 0 1 EHAF CCOc1ccccc1OCc1nc2ccnc(Br)c2[nH]1 587779580 AXIOLIUSDFZEMD-UHFFFAOYSA-N 348.200 3.698 0 1 EHAF O=C1CCc2cc3nc(-c4ccc5c(c4O)CCCC5)[nH]c3cc2N1 586898964 UHEXXGHSEFIFPJ-UHFFFAOYSA-N 333.391 3.699 0 1 EHAF N[C@H](Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1F 587144673 PXXDIOCNPMLVPL-GFCCVEGCSA-N 334.192 3.707 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccn1)[C@@H](C2)C3=O 587420849 HVQIOQIEWXDJRV-MEDUHNTESA-N 335.281 3.598 0 1 EHAF Cc1c(-c2ncnn2C)nc2cccc3c2c1-c1ccccc1C3=O 587105112 OVLUMWCAJHAAAJ-UHFFFAOYSA-N 326.359 3.550 0 1 EHAF C=Cc1nc(C)c([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)[nH]1 587482487 JBRDHOWFYNBZBC-LJQANCHMSA-N 326.396 3.900 0 1 EHAF Fc1cc(F)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 587076316 PHTRHIREHGOELR-UHFFFAOYSA-N 331.713 3.742 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccccc1-n1cccc1)[C@@H](C2)C3=O 587429258 AJABLHJBKVNWTH-HRAATJIYSA-N 331.371 3.975 0 1 EHAF O[C@H]1CC[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 586899160 NBCQJPYPBINMLG-OTSSQURYSA-N 329.625 3.997 0 1 EHAF Cc1c(Br)cnc2[nH]c(/C=C\c3ccc(N)cc3)nc12 587251801 OGGPUEMZXIUSIN-DAXSKMNVSA-N 329.201 3.781 0 1 EHAF CC(C)[C@H](c1nc2cccc(C(=O)O)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197599 JQGOBHAVHGGOFJ-CQSZACIVSA-N 347.415 3.825 0 1 EHAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1OC 587398549 FGVQXWQXDFXWNS-FQEVSTJZSA-N 341.407 3.783 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](C(=O)c1cc(F)ccc1F)CC2=O 587468972 ZGMGPJUHZCOFPF-KRWDZBQOSA-N 346.329 3.840 0 1 EHAF O=C(c1ccc(O)c(Cl)c1)n1nc2cc1Oc1ccc(F)cc1-2 587873622 FDQPNCFPTLBMNW-UHFFFAOYSA-N 330.702 3.842 0 1 EHAF Oc1c(F)cc(F)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587134971 YOCDJDLRBSEXMQ-UHFFFAOYSA-N 326.205 3.535 0 1 EHAF O=C1C[C@@H](c2ccnc3c2OCCC3)Oc2c1ccc1c2CCCC1 587521952 CKTHNBDIOZGSJF-IBGZPJMESA-N 335.403 3.992 0 1 EHAF Cc1c(-c2nc3cnc(Br)cc3[nH]2)oc2c1[C@H](O)CCC2 586905539 SVMSWCOBCFDWQR-SNVBAGLBSA-N 348.200 3.659 0 1 EHAF COc1cc2c3c(c1)O[C@@](Cc1ccncc1)(C(C)(C)C)[C@@H](C2)C3=O 587436705 RXDCSWPIUBSBOV-HRAATJIYSA-N 337.419 3.865 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(C[C@@H](O)c2ccccn2)N1 962958210 PDJJNJDAWNAKOP-YFZFPPMRSA-N 335.451 3.826 0 1 EHAF CC1(C)CCc2ccccc2[C@@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962909146 VZOPXKFRIMTFKH-RXVVDRJESA-N 339.410 3.641 0 1 EHAF CCc1ccc(-c2nnc(SCCCC(=O)O)o2)c(Cl)c1 1857565449 GVYJBFQSFYLAGP-UHFFFAOYSA-N 326.805 3.909 0 1 EHAF Cc1ccccc1[C@H](c1ccc2cccnc2c1O)N1CCOCC1 115635013 GDKPKXYTPREKMU-HXUWFJFHSA-N 334.419 3.670 0 1 EHAF Cc1cccc(CNC(=O)CCc2nnc(C3CCCCC3)o2)c1 12596830 BDJZCLRIKJSJNM-UHFFFAOYSA-N 327.428 3.675 0 3 EHAF CCOc1cc2c(cc1O)CC(=O)C[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 169370461 SOIPLRPHJHQQGL-CCTJXGJQSA-N 344.451 3.577 0 1 EHAF Cc1nc2cccc(-c3cc4c([nH]3)[C@H](C)NC4=O)c2nc1NC1(C)CC1 206074344 LBUJNZMSBAMNNW-JTQLQIEISA-N 347.422 3.702 0 1 EHAF C[C@@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 101112165 ISWUXQKIYIOEJI-JCGSOOFXSA-N 339.838 3.808 0 1 EHAF CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1cccc(OC)c1 101506088 JHAFCHOLDGCVEL-UYTDBDHRSA-N 342.399 3.568 0 1 EHAF O=C(Nc1ccccc1O)c1cccc2[nH]c(-c3ccncc3)nc12 28347540 DFHUAARQMFTOTM-UHFFFAOYSA-N 330.347 3.583 0 1 EHAF CCN(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@H](C(F)(F)F)O2 66259177 SLCHLEMDQSMYSS-CYBMUJFWSA-N 349.736 3.583 0 1 EHAF S=C(NCCc1cc2ccccc2[nH]1)SCc1ccncc1 28567773 UFSPXHORGVLOIP-UHFFFAOYSA-N 327.478 3.913 0 1 EHAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@@H]4[C@H](C[C@H]12)[C@]4(C(=O)O)C3 2356649316 IZVVICZFHFZOPG-ZCNFGTEXSA-N 332.440 3.795 0 1 EHAF CC(C)CC(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72101822 GQLBZZPBCZRMLI-INIZCTEOSA-N 337.345 3.747 0 1 EHAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]12 74377790 QRBRRCDXVPDTHM-IAGOWNOFSA-N 340.810 3.524 0 3 EHAF c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 73196529 JMRMEWXQQQSRHM-UHFFFAOYSA-N 326.377 3.800 0 1 EHAF O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1 43200810 KCXFGPNQDBKDQK-UHFFFAOYSA-N 348.406 3.559 0 1 EHAF COc1cc(Nc2[nH]nc3c2Cc2cc(OC)ccc2-3)cc(OC)c1 473136514 SAZFETDTFQGKCW-UHFFFAOYSA-N 337.379 3.750 0 1 EHAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587931856 UHNHRRJFRFPQDJ-BFUOFWGJSA-N 340.354 3.854 0 1 EHAF Cn1cc(-c2nc3ccc(Br)nc3[nH]2)c(C(F)(F)F)c1 587111751 HKZFLXBZKOAKRB-UHFFFAOYSA-N 345.122 3.745 0 1 EHAF Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)co1 587588097 RVRASJPYPQRZTI-APWZRJJASA-N 337.331 3.566 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C3CC3)nc3sccn13)O2 587414157 KTKDGPGQGWGFLW-CQSZACIVSA-N 339.420 3.870 0 1 EHAF COc1cncc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c12 587011116 GXZGZNCPDJRCTQ-UHFFFAOYSA-N 336.420 3.989 0 1 EHAF O=C(O)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587229332 FYJZQOIGCREUTO-UHFFFAOYSA-N 344.374 3.935 0 1 EHAF COC(=O)C(C)(C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993554 YBJQMORGCKALIC-UHFFFAOYSA-N 347.370 3.602 0 1 EHAF Fc1ccc(S)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587141303 OKVIFORGJFJJSL-UHFFFAOYSA-N 328.347 3.983 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc2c(c1)OCCO2 587871124 AVKWNFOIVWKUCS-UHFFFAOYSA-N 340.354 3.848 0 1 EHAF Cc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587008418 VIOUJIOKUVMLMY-UHFFFAOYSA-N 327.185 3.949 0 1 EHAF COc1cc(C2(c3nc4ccc(C(=O)N(C)C)cc4[nH]3)CC2)ccc1C 587927570 RJMVBVQERVEYLO-UHFFFAOYSA-N 349.434 3.662 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3o[nH]c(=N)c3c1)CC2=O 587473525 WXNBVZQVTOSOPH-QGZVFWFLSA-N 338.363 3.605 0 1 EHAF COC(=O)c1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536556 WIGTYZXKBCRRKZ-CQSZACIVSA-N 343.404 3.515 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(O)c1)CC2=O 587482181 SKUPCWZAVUXRKO-HXUWFJFHSA-N 342.391 3.940 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(N)c1)CC2=O 587472900 OHFNTHVVQXJWIV-FQEVSTJZSA-N 341.407 3.816 0 1 EHAF Cc1cc(Cl)cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 586923973 CAIRFHWVOJEKJQ-FPLPWBNLSA-N 332.812 3.969 0 1 EHAF COC(=O)c1ccnc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc12 587073728 KPJMTBJFFHLBPU-UHFFFAOYSA-N 341.798 3.868 0 1 EHAF C[C@@]1(c2cccc3c2C(=O)NC3)NCCc2c(Cl)cc(Cl)cc21 963108273 NNIMJFYONFCSQU-SFHVURJKSA-N 347.245 3.646 0 1 EHAF COc1cc(C(=O)NC[C@H](C)c2ccccc2)ccc1-c1cn[nH]c1 1772600751 ZSRGQQNNHDFZKU-AWEZNQCLSA-N 335.407 3.619 0 1 EHAF CC[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C)[C@H]4CC1)[C@@H]32 2356383713 VTDXGWFEGNRRSX-ZIBCJSCZSA-N 326.484 3.810 0 1 EHAF COc1ccccc1CCc1nnc(-c2ccc3[nH]cnc3c2)s1 118803931 VODPEEMYYMDEAU-UHFFFAOYSA-N 336.420 3.875 0 1 EHAF O=C(O)C1CN([C@@H]2CC[C@@]3(Cc4ccccc4Oc4ccccc43)C2)C1 64448820 IRGGYSVFJCBILG-VGOFRKELSA-N 349.430 3.842 0 1 EHAF CO[C@H](c1ccccc1)c1scnc1C(=O)Nc1nccs1 28468944 ZAVRVDCGQLTDSH-GFCCVEGCSA-N 331.422 3.588 0 1 EHAF CCc1cc(/C=C/c2ccccc2OC[C@H](O)CNC(C)(C)C)on1 29248459 SSCQTZJXVYCFEN-SXSDINLZSA-N 344.455 3.535 0 1 EHAF O=C1C[C@H](O)C[C@H](CCc2ccc(Br)c3ccccc23)O1 27868579 PUSPAFQBBUKRQF-OLZOCXBDSA-N 349.224 3.601 0 1 EHAF COC(=O)C=C(C)CC[C@@H]1C(=O)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C 2356519609 JALUKZVNCFBPCF-PYQAKABTSA-N 336.472 3.668 0 1 EHAF COc1ccc([C@]2(C)ON(c3ccccc3C(F)(F)F)C2=O)cc1 36387702 ZXEBJOBPDCFZOQ-INIZCTEOSA-N 337.297 3.908 0 3 EHAF C[C@H](CCCCCCCCC(=O)O)N(CCO)C(=O)OC(C)(C)C 36389248 KAXHODCJUMDGNP-OAHLLOKOSA-N 345.480 3.810 0 3 EHAF C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72135701 HABYHHAEXZCLGB-WBRAJGQNSA-N 333.516 3.847 0 1 EHAF Cc1cc(-c2ccc(N)cc2)c(/C=C2\C(=O)Nc3ccc(N)cc32)[nH]1 71332547 VDUJMJVBJLQVIU-YVLHZVERSA-N 330.391 3.647 0 1 EHAF O=C1CSC(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)=N1 73296107 QVXSGBCTYAQMEU-MRXNPFEDSA-N 339.395 3.606 0 1 EHAF Cc1ccc(Cn2ncc3c4sc(C)cc4n(C)c3c2=O)c(F)c1 49050153 QIZMMFFCHBCEAA-UHFFFAOYSA-N 341.411 3.754 0 1 EHAF O=c1oc2ccccc2n1CC1CCN(Cc2ccc(F)cc2)CC1 40407008 GTMAVONEYLGFNB-UHFFFAOYSA-N 340.398 3.646 0 1 EHAF Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H]3CCCO3)c2F)cn1 224552892 KKWBZMCSEGNNLQ-ZDUSSCGKSA-N 343.402 3.690 0 1 EHAF COc1ccc(Nc2nccc3c2cc(-c2cnn(C)c2)n3C)cc1 82078103 XLZFYTBVUNPRQJ-UHFFFAOYSA-N 333.395 3.726 0 1 EHAF CN(C)CCCCOC(=O)c1csc(-c2ccc(Cl)cc2)n1 82086392 HEMAZYGUKGOKGC-UHFFFAOYSA-N 338.860 3.962 0 1 EHAF CC1(C)CCN(c2ccc(C#Cc3cncc(Cl)c3)cn2)C(=O)C1 144436556 RTNMVIBTUPXHHL-UHFFFAOYSA-N 339.826 3.683 0 1 EHAF CCNC(=O)/N=c1/[nH]c2ccc(-c3c(C)cccc3Cl)cc2[nH]1 95605566 KXAZJNVQZPHESJ-UHFFFAOYSA-N 328.803 3.755 0 1 EHAF 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CC(=O)[C@@H]1C(=O)CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587208395 VINHWDISDJNIJH-GOSISDBHSA-N 341.366 3.634 0 1 EHAF CC1CCN(C[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)CC1 587875331 JODJYGSYADPCKE-CYBMUJFWSA-N 343.402 3.803 0 1 EHAF COc1ccc2c(c1OC)[C@](C)(c1cc(N)ccc1F)N(C)[C@H](C)C2 962577080 XLWUMDAEWIOGIF-ODXCJYRJSA-N 344.430 3.565 0 1 EHAF C[C@]1(c2nnc(-c3ccncc3)o2)CC(c2cccc(Cl)c2)=NO1 12726932 MVEVHNUWMZOBRK-QGZVFWFLSA-N 340.770 3.825 0 3 EHAF Cc1cn2c(NC(=O)C3CCCCC3)nc(-c3ccccc3)nc2n1 13492000 AAZSAJNRFPVZLB-UHFFFAOYSA-N 335.411 3.619 0 1 EHAF O=C1c2c(O)cccc2Cc2cc(Cc3ccc(O)cc3)cc(O)c21 13736891 HAUHBQPZTRIQHF-UHFFFAOYSA-N 332.355 3.529 0 1 EHAF Cc1ccccc1C(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 13832021 PNCZQOGGHLFQKN-UHFFFAOYSA-N 348.446 3.579 0 1 EHAF COc1c(C)c(O)c2c(c1C)O[C@H](c1cc3c(cc1O)OCO3)CC2 14641533 OOZKPSALBMDMMI-AWEZNQCLSA-N 344.363 3.518 0 1 EHAF biogenic,in-vitro Cc1csc([C@@H]2CC[C@H](NC(=O)Nc3cccc4[nH]ncc34)C2)n1 204439204 MHISROGAGXEXMG-NEPJUHHUSA-N 341.440 3.786 0 1 EHAF COc1ccccc1CNC[C@@H]1C[C@]1(F)c1cc(F)ccc1OC 1857593597 QXPPIWPCEYSJBX-IFXJQAMLSA-N 333.378 3.817 0 1 EHAF C[C@H](C(=O)O)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O 216794 FAKZZRVHIRQEDG-ZBEGNZNMSA-N 345.395 3.554 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=CC2=CCC[C@H](C)[C@@]21C 2356469949 IUILTPPQAYRTKI-TUIFFPIZSA-N 328.408 3.998 0 1 EHAF Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)NC1CCCCC1 64837474 PAXZSBFZQIWSKA-UHFFFAOYSA-N 348.468 3.878 0 1 EHAF CN1[C@@H](Cc2ccccc2)[C@H](O)C[C@H]1CCCCCCCCC(=O)O 2356802478 SHNGUTOBVBMHGD-HSALFYBXSA-N 347.499 3.868 0 1 EHAF COc1cc(COc2ccc([C@@H](O)C3CC3)cc2)cc(OC)c1OC 66258353 OQVFDAHOGPRUCV-IBGZPJMESA-N 344.407 3.735 0 1 EHAF CCC(=O)N1CC[C@@]1(C)C(=O)Nc1cccc(Oc2ccccc2)c1 61905017 SCDNBDHNUZVLPN-FQEVSTJZSA-N 338.407 3.818 0 3 EHAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](O)[C@H](CC3CCCC3)CN1CC2 71332200 XALFRGKXCLWMIA-NZSAHSFTSA-N 345.483 3.564 0 1 EHAF O=C1Nc2ccc(Cl)cc2[C@]12NCCCc1c2[nH]c2ccccc12 49111800 XLPGZBXLXQTUGC-LJQANCHMSA-N 337.810 3.553 0 1 EHAF COC(=O)C1=C[C@]2(c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@H]2C=C[C@H]1C2 195365774 VQRFUQBWZBYASP-REHTZSIUSA-N 328.383 3.706 0 1 EHAF CN1C(=O)CCc2cc(-c3cncc(COc4ccccn4)c3)ccc21 221364604 GPKFENGNSKQHPO-UHFFFAOYSA-N 345.402 3.632 0 1 EHAF O=C(Nc1ccc2nc(-c3cccc(Cl)c3)nn2c1)c1ccco1 82081928 QOQDWYDUDSYFDJ-UHFFFAOYSA-N 338.754 3.895 0 1 EHAF Cc1c(C(=O)O)cccc1-c1cnc(N)c(N[C@H](C)c2ccccc2)n1 96284817 YGUARMWPZRIABU-CYBMUJFWSA-N 348.406 3.906 0 1 EHAF CCc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 95555972 XQRORLDBJBDWQK-OALUTQOASA-N 345.446 3.863 0 1 EHAF C[C@H]1C(=O)[C@@]23CC[C@@H]4[C@]5(C)CCC[C@@]4([C@@H]4OCCN4C5)[C@@H]2CC[C@@H]1C3 238774129 BGZNEAVTIQGRHL-WKACBPRSSA-N 343.511 3.866 0 1 EHAF C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(C=COC1)O2 238756731 OQLCWZJEAYGVQE-TYOHIEAGSA-N 332.440 3.596 0 1 EHAF CCc1cc(OC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)ccc1Cl 618016112 RLICJXOGWGHQGT-FMKPAKJESA-N 335.831 3.503 0 1 EHAF Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](CC(=O)O)c1ccccc1 299855128 DIKPQFGATRYVCD-HNNXBMFYSA-N 329.396 3.831 0 1 EHAF CC1(C)COc2c(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)cccc21 586911615 JMTZMXBIGQDLSR-UHFFFAOYSA-N 326.327 3.737 0 1 EHAF CCOc1ccccc1-c1cccc(-c2nc3c(O)ncnc3[nH]2)c1 587780195 NNITYIHPFWMHGG-UHFFFAOYSA-N 332.363 3.791 0 1 EHAF Cc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587007059 VDCLDWVDONLLGV-UHFFFAOYSA-N 327.185 3.949 0 1 EHAF COc1ccc2nc(-c3nc4cc(C(=O)O)ccc4[nH]3)sc2c1 587035881 VNCCLWKJUYDSNG-UHFFFAOYSA-N 325.349 3.546 0 1 EHAF Cc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2n1 587127186 NNJCOFOWCQLSBB-UHFFFAOYSA-N 333.273 3.708 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)c(F)c1)CC2=O 587465198 BVFIRIFJZSJIQH-LJQANCHMSA-N 329.371 3.947 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccccc1)[C@@H](C2)C3=O 587441903 UWMQHIBUEXMZLK-VBKZILBWSA-N 332.359 3.574 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(C(C)C)nc1)CC2=O 587488771 JOUWEKFDLGGRLP-QGZVFWFLSA-N 326.396 3.965 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1C[C@@H]2C=C[C@H]1C2 587604944 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344.455 3.845 0 1 EHAF CN(C)CCc1c[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12 27312395 LWFKPPGHZYRIFD-UHFFFAOYSA-N 325.387 3.663 0 1 EHAF CC(C)n1cc(-c2n[nH]c3ccnc(O[C@@H](C)C(F)(F)F)c23)cn1 114756279 GUMPWULEVGVOEL-VIFPVBQESA-N 339.321 3.732 0 1 EHAF O=C([C@H]1CS[C@H](c2cccnc2)N1)n1ccc2c(Cl)cccc21 26162909 HRZRCKXBQCMKEH-GDBMZVCRSA-N 343.839 3.734 0 1 EHAF O=C(O)c1cn(C2CC2)c2cc(N3CCCCCC3)c(F)cc2c1=O 138885544 TZHZWIQBEZEMCF-UHFFFAOYSA-N 344.386 3.554 0 1 EHAF CC=CC[C@H](C)[C@H](OC)[C@H](C)[C@H](O)C[C@H]1OC(=O)CC[C@H]1CC 2356740596 UKUHYDSKNMYCAN-DPIHELBLSA-N 326.477 3.723 0 1 EHAF COc1cc2c(cc1C(C)C)CC[C@@H]1C(C)(C)CC[C@H](O)[C@]1(O)C2 2356767525 DFSWPBVFNRYKAI-DYXWJJEUSA-N 332.484 3.836 0 1 EHAF C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1Br 64453743 MGAGJKNDSAFONJ-GXSJLCMTSA-N 325.202 3.549 0 1 EHAF Cc1ccccc1-c1nc(CN2CCN(Cc3ccccc3)CC2)co1 72182927 IRVHNDYPJLKLPN-UHFFFAOYSA-N 347.462 3.968 0 1 EHAF C[C@@H](O)[C@](C)(CO)NCc1ccc2c3c(cccc13)-c1ccccc1-2 45303132 CITBKHXTICVSII-PEBXRYMYSA-N 333.431 3.709 0 1 EHAF CN(C)C(C)(C)COC(=O)c1coc(-c2ccc3ccccc3c2)n1 82086436 WWABIEAODCBRFK-UHFFFAOYSA-N 338.407 3.992 0 1 EHAF Nc1cc(Cl)c(Cl)cc1C1=NN(C(=O)c2ccccc2)CC1 96907967 DHTQTCSHZUYOJA-UHFFFAOYSA-N 334.206 3.826 0 1 EHAF CC1=CCC[C@@](C)(O)[C@@H](O)CCC(C)=C[C@@H]2OC(=O)C(C)=C2CC1 299806678 KISXSEZMRISOQB-CMKODMSKSA-N 334.456 3.587 0 1 EHAF C[C@H](c1ccccc1)n1c(NC(=O)C2=NC(=O)N=N2)nc2ccccc21 618014672 DEHKZFFEYBUVSH-LLVKDONJSA-N 346.350 3.568 0 1 EHAF CCC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356796 RWHRCQGATUMYLA-PKOBYXMFSA-N 328.339 3.628 0 1 EHAF CC[C@@]1(Cc2nc3ccc(OC)nc3[nH]2)CC(=O)c2ccccc2C1 587958933 AGXZHLHKTIIYCR-FQEVSTJZSA-N 335.407 3.735 0 1 EHAF FC(F)(F)c1cncc(-c2nc3c(Br)ccnc3[nH]2)c1 587114951 AMIZKPHLCJUHDZ-UHFFFAOYSA-N 343.106 3.801 0 1 EHAF Cc1cncc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006452 NUWHBFJHNSUZAZ-UHFFFAOYSA-N 327.185 3.949 0 1 EHAF Cc1cc2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2c(C)n1 587081240 LSGDZWJYZSJUEA-UHFFFAOYSA-N 328.803 3.829 0 1 EHAF FC(F)(F)c1ncc2nc([C@H]3Cc4cc(Cl)ccc4O3)nc-2[nH]1 587080056 KUIUBRSEDKZPKJ-SNVBAGLBSA-N 340.692 3.653 0 1 EHAF O[C@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1Cl 587058470 GQFVCEHTRPSKNH-LBPRGKRZSA-N 327.693 3.712 0 1 EHAF CCC[C@]1(C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587810165 CAKCZMOBLDAZRC-RFAUZJTJSA-N 328.225 3.707 0 1 EHAF CN(C)C(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587080021 JYZRKESGRLVJKE-MRXNPFEDSA-N 341.798 3.594 0 1 EHAF Nc1ccc2c(c1)[C@@]1(C=CO2)CC(=O)c2ccc3c(c2O1)CCCC3 587512578 YUPOESHKOZMMCZ-OAQYLSRUSA-N 333.387 3.914 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)O)co1)CC2=O 587487425 ZXLSRCVCVYQCPE-SFHVURJKSA-N 330.336 3.517 0 1 EHAF N=c1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c[nH]1 587151369 XLFUARNGJYLVFZ-SFHVURJKSA-N 333.370 3.711 0 1 EHAF N[C@@H](Cc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12)C(=O)O 587631428 LWTKKMCBZUVLJT-AWEZNQCLSA-N 332.762 3.582 0 1 EHAF Cc1nn(C)cc1-c1[nH]c2cc(Cl)c(F)cc2c1N1CCOCC1 587631727 KEJNOSBMZGXKPT-UHFFFAOYSA-N 348.809 3.506 0 1 EHAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587585630 FMEFOHKKNIYDON-PXNSSMCTSA-N 333.343 3.799 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)F)N1 587703795 GXROPCXXZIZWCE-KGFZYKRKSA-N 326.131 3.900 0 1 EHAF Nc1n[nH]c2cccc(-c3ccc4c(C(=O)NC5CC5)cccc4c3)c12 169350197 QXOCJYVEXQVZSL-UHFFFAOYSA-N 342.402 3.858 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCc3nc(O)ccc32)N1 962950407 MVCQTQDQRNOFMM-ZSEKCTLFSA-N 333.435 3.773 0 1 EHAF COC(=O)CC=C[C@H](C)[C@H](Cc1ccccc1Br)OC 1857623047 OEXFZJIMWVCZMM-WFASDCNBSA-N 341.245 3.762 0 1 EHAF COc1ccc(C=C2CC[C@H]3[C@@H](CCCC34OCCO4)C2=O)cc1 16956436 VTTUERHBIOYDLZ-MSOLQXFVSA-N 328.408 3.601 0 1 EHAF O=S(=O)(N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccc(F)cc1 1772588613 HBNNGZXIFUUAMQ-KRWDZBQOSA-N 344.411 3.663 0 1 EHAF Cc1ccc2nc(Cl)c(Cn3nnnc3Cc3ccccc3)cc2c1 1772576650 LBSWJCXNWHTJQO-UHFFFAOYSA-N 349.825 3.822 0 1 EHAF O=C(N[C@H]1CCCc2ccccc21)[C@H]1CC(Cc2ccccc2)=NO1 12190404 MUKJFJMQGHGIIJ-VQTJNVASSA-N 334.419 3.568 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC)c(C=O)cc3CC[C@H]21 13600400 OUOIOYFLGHKBIG-MISYRCLQSA-N 330.424 3.691 0 1 EHAF CCc1cccc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 205765986 ISAMVFYOKVMMJZ-QGZVFWFLSA-N 336.435 3.857 0 1 EHAF COC[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccccc1 1857586489 HNDYCXUNTDDGPW-INIZCTEOSA-N 342.826 3.949 0 1 EHAF Nc1c2c(nc3c1[C@@H](c1ccc(Cl)cc1)NC(=S)N3)CCCC2 1857632799 YEFWMAZIZIXJFI-OAHLLOKOSA-N 344.871 3.585 0 1 EHAF CCN1CCC[C@@H]1CNc1[nH]cnc2c3cc(Cl)ccc3nc1-2 6498793 TZCZVSAUNQBVFA-GFCCVEGCSA-N 329.835 3.612 0 1 EHAF Cc1cc(NC(=O)NC(=O)NCCc2ccccc2)c2ccccc2n1 64549214 PVTXSKCIINPSHI-UHFFFAOYSA-N 348.406 3.617 0 1 EHAF CN(C)CCCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1 26657661 BAKUFMGDFQTFRS-UHFFFAOYSA-N 349.438 3.613 0 1 EHAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)OC3=CC(=O)O[C@H](O)C3=C[C@@H]12 2356582918 CEALEKGWMIZUGO-XUMMFJMYSA-N 332.440 3.703 0 1 EHAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@@H](CO)C(=O)O)[C@@H](O)C1 2356777642 APNQDBXMTOZFPF-OWSLCNJRSA-N 326.477 3.764 0 1 EHAF Cc1cc(C)nc(CN(CCCCN)[C@@H]2CCCc3cccnc32)c1 66079682 YFAGKMFPCCCDTH-HXUWFJFHSA-N 338.499 3.712 0 1 EHAF CCC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1 34640619 ACIQALGPUWKCIP-SFHVURJKSA-N 346.386 3.881 0 1 EHAF Cc1cc(=O)oc2cc(OC(=O)CNc3ccccc3Cl)ccc12 72116676 SJZPTPSWWZAZGD-UHFFFAOYSA-N 343.766 3.772 0 1 EHAF COc1cccc(F)c1[C@@H]1SCC(=O)N1c1cc(C)cc(C)n1 32138720 WARRVPIVVUTEQB-KRWDZBQOSA-N 332.400 3.625 0 1 EHAF CC1(C)OC(=O)c2c1ccn(Cc1ccc(Cl)cc1Cl)c2=O 84712464 RZOUAAQDKKKXGG-UHFFFAOYSA-N 338.190 3.609 0 1 EHAF CCC[C@@H](C)COc1ccc([C@H](CO)NC(=O)c2ccccc2)cc1 299870400 WFBXZWQTUSXOCC-UZLBHIALSA-N 341.451 3.965 0 1 EHAF Cc1c(-c2nc3ccc(C(N)=O)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165771 DDQUNVUFEGTKET-UHFFFAOYSA-N 348.381 3.782 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](OC)c1cncs1)CC2=O 587496711 STGQQTNYAHGQFG-RHSMWYFYSA-N 333.409 3.523 0 1 EHAF C[C@H](Oc1ccc(CCc2cc3c4c(cccc4n2)CC3)cc1)C(=O)O 587211448 HDRVUKOXPNCHKM-AWEZNQCLSA-N 347.414 3.971 0 1 EHAF C[C@H]1C[C@@]2(CCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587833552 NMZANRASDSYNPJ-HFBDOXOYSA-N 328.225 3.517 0 1 EHAF O=C(O)c1ccccc1/C=C/c1nc2cc(C(F)(F)F)cnc2[nH]1 586879825 NSGVRIJYADXKAX-AATRIKPKSA-N 333.269 3.845 0 1 EHAF CCOC(=O)[C@@H](CC)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587400189 OSDFCXLGCZUXRB-KUHUBIRLSA-N 333.428 3.527 0 1 EHAF Fc1cc2[nH]c(Cc3c(F)cncc3Cl)nc2cc1-n1cccn1 587176093 MOZLDNBJAHDUDE-UHFFFAOYSA-N 345.740 3.666 0 1 EHAF Cc1cncc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 586900921 OIDUBYARIFMAES-UHFFFAOYSA-N 333.347 3.918 0 1 EHAF N=c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c2ccccc2[nH]1 587254726 XIEPXZBDEHFZSR-UHFFFAOYSA-N 329.285 3.604 0 1 EHAF COc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(OC)c1C 587787618 MZVAPPAHWXDZAT-UHFFFAOYSA-N 348.305 3.877 0 1 EHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(O)cccc2[nH]1 587150183 QGLXJNUGAZEXQP-UHFFFAOYSA-N 326.306 3.614 0 1 EHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(C(=O)O)c2[nH]1 587112947 IQSZYEDJYAKNAO-LBPRGKRZSA-N 349.312 3.522 0 1 EHAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C 587755377 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Cc1cc(C)c(CN2CCC[C@]23Cc2ccccc2CNC3=O)c(C)c1 71993966 JEUNZKMJAGJKAD-HSZRJFAPSA-N 348.490 3.819 0 1 EHAF COC(=O)C/C=C/[C@H](C)[C@@H](Cc1ccccc1Br)OC 72136904 OEXFZJIMWVCZMM-AXGJVXDSSA-N 341.245 3.762 0 1 EHAF CCOc1ccc(-c2nc(CNCCOc3ccccc3)co2)cc1 72186047 ROYFXAHYAUXTGB-UHFFFAOYSA-N 338.407 3.909 0 1 EHAF CCN(CC)C(=O)[C@H]1CCCc2c1c1cc(OC)ccc1n2CCF 82149007 RFJZJDYWSLNICW-HNNXBMFYSA-N 346.446 3.908 0 1 EHAF COc1ccc(C(=O)N2CCC[C@H]3c4ccccc4CC[C@@H]32)cc1N 96169274 ISRHRYXQUNLBGD-HKUYNNGSSA-N 336.435 3.612 0 1 EHAF COC(=O)Nc1ncc(-c2ccnn2-c2cc(C)cc(C)c2)s1 96941850 BAELPOFEVJTLIT-UHFFFAOYSA-N 328.397 3.791 0 1 EHAF CC[C@H](NC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)C(=O)c1nc2ccccc2o1 100731835 YIPXRUISNFPJLA-TUVASFSCSA-N 340.423 3.732 0 1 EHAF CNC(=O)[C@@H](OC)c1cccc(COc2ccc(C)cc2Cl)c1 103199725 WYFQIFVIMXOXFB-KRWDZBQOSA-N 333.815 3.661 0 1 EHAF CN1[C@H]2CC[C@@H]1C[C@H](CC(C(N)=O)(c1ccccc1)c1ccccc1)C2 103236621 VCNVEWKKXRXISC-ZHPFXUNLSA-N 348.490 3.721 0 1 EHAF O=C(Nc1ccc(O)c(Cl)c1)c1cc(NC2CCCCC2)ncn1 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3.715 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCc4c1ccc(F)c4F)[C@@H](C2)C3=O 587428942 RAXXMPIMHIJJBV-DJJJIMSYSA-N 328.314 3.563 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnc(OC)c4ccccc14)[C@@H](C2)C3=O 587434758 ATDYSXMUOJVYBJ-YWZLYKJASA-N 347.370 3.741 0 1 EHAF Cc1ccc(OCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 587565938 XKJNDNICNPCFDR-UHFFFAOYSA-N 342.708 3.864 0 1 EHAF Cn1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576321 IQYMMDRMFWHNNG-PXNSSMCTSA-N 335.359 3.608 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cccnc2)N1 587778920 OXXPUYDHDLNUMZ-GTNSWQLSSA-N 349.247 3.975 0 1 EHAF C[C@H]1C[C@@H](C)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587823101 OGDHUSKSVNPKBD-LLZONULXSA-N 340.236 3.563 0 1 EHAF COc1ccc(/C=C\Cc2nc3cc(OC)c(F)cc3[nH]2)c(OC)c1 587929653 OLUFOFRUWQLDJH-PLNGDYQASA-N 342.370 3.984 0 1 EHAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587932227 WDKXTWRJKQAXCV-ZUOKHONESA-N 336.391 3.788 0 1 EHAF Cc1c(F)ccc2c1[C@]1(CCN(Cc3ccccc3)C[C@@H]1F)NCC2 962373971 KTPVVPNDKWAYQR-PZJWPPBQSA-N 342.433 3.719 0 1 EHAF CC(=O)C[C@@]1(O)C2=C3Nc4ccccc4[C@@H]3C=CN2c2ccccc21 2356306922 LBWYAILKPREKBJ-BTYIYWSLSA-N 330.387 3.622 0 1 EHAF O=C(CSc1ncccc1C(=O)O)c1cccc(C(F)(F)F)c1 3286011 JNITURYINBGBRJ-UHFFFAOYSA-N 341.310 3.774 0 3 EHAF Cc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3O)n2)cc1 347223 PUMAQRCKXOPBPM-UHFFFAOYSA-N 327.775 3.532 0 1 EHAF CC(=O)[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2O)C1 2356319494 JSZXWENPVDSORI-LZIOYECESA-N 334.500 3.710 0 1 EHAF CCC[C@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl 103277672 YZWQWQQFDKLZPS-MRVPVSSYSA-N 348.177 3.860 0 1 EHAF COc1ccc(OC)c(/C=C/c2nnc(S)n2-c2ccccc2)c1 103197379 UQPQHTFBVKOCQS-DHZHZOJOSA-N 339.420 3.744 0 1 EHAF CCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1 28825029 DMDURTAYDFNOSK-UHFFFAOYSA-N 339.439 3.521 0 1 EHAF C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCCC1 100804735 KHQLKMURGRQDRK-VOQZNFBZSA-N 342.527 3.792 0 1 EHAF COC(=O)C=C(C)CC[C@@H]1C(=O)CC[C@H]2C(C)(C)C(=O)CC[C@@]12C 2356504440 RLSAQUYQTNBTEO-IIMJZQEZSA-N 334.456 3.877 0 1 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O[C@@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)C1CCOCC1 586913085 HXHIOQNUPMYVHP-LJQANCHMSA-N 338.407 3.602 0 1 EHAF C[C@@]1(c2ccc(C(=O)O)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515469 OEQAAYXQCCNFGP-FQEVSTJZSA-N 337.375 3.539 0 1 EHAF CC(C)OC1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587602215 XHVRHDQOIUWIII-DJMMNXNOSA-N 340.375 3.680 0 1 EHAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(F)cccc2[nH]1 587038656 KJWCYZGCZZBRHQ-UHFFFAOYSA-N 335.364 3.568 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](CO)C2)N1 587827034 MVTKPGFHNQTWIC-OHUAYANFSA-N 342.252 3.500 0 1 EHAF NC1CCC(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 587256876 SGTUMVQZZPLKKO-UHFFFAOYSA-N 334.292 3.597 0 1 EHAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 587796874 QWORBABULPRHGW-UOWDBTKRSA-N 325.181 3.508 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnc([C@@H]4C[C@@H]4C)s1)[C@@H](C2)C3=O 587452546 NYRAAPBWDVYECS-UGIYMOITSA-N 327.405 3.764 0 1 EHAF O=S(=O)(/C=C\c1nc2cc(Cl)cc(F)c2[nH]1)c1ccccc1 586924104 HKZVVQQNLBCSTR-SREVYHEPSA-N 336.775 3.800 0 1 EHAF O=C1C[C@](C(=O)O)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587507284 VOCIQIDVFBQHHW-HXUWFJFHSA-N 340.350 3.650 0 1 EHAF CCCc1c(O)ccc2c1OC1(CCN(CC3CC3)CC1)CC2=O 587478006 ZBPUGZWWLJSSFB-UHFFFAOYSA-N 329.440 3.555 0 1 EHAF COc1cc2c3c(c1)O[C@@H](CCc1cccc(OC)c1F)[C@@H](C2)C3=O 587427232 RAEKTGMXUHARQF-CABCVRRESA-N 342.366 3.592 0 1 EHAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(F)cc(F)c2[nH]1 587040694 RIAPCJVDIWUFGU-NSHDSACASA-N 341.383 3.824 0 1 EHAF CCOC(=O)[C@H](CC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526570 UNIZEWHFUKITTA-OXJNMPFZSA-N 330.424 3.879 0 1 EHAF COc1ccc2c(c1OC)[C@@]1(CC(C)(C)OC1(C)C)N(C)[C@H](C)C2 962625246 LSRWRIQOAZEMOS-ZUOKHONESA-N 333.472 3.753 0 1 EHAF C[C@@]1(Cc2ccccc2Cl)N[C@H](C(=O)O)Cc2cccc(F)c21 962905313 ZUWLAQZLJCUACS-YJBOKZPZSA-N 333.790 3.536 0 1 EHAF O=C(c1ccsc1)[C@]1(c2ccsc2)NCCc2ccc(O)cc21 963353843 ULXBXHGRBBKIDK-GOSISDBHSA-N 341.457 3.787 0 1 EHAF CCCOc1cccc(-c2c[nH]c(SCCc3c[nH]cn3)n2)c1 13764195 JYLNAWBZJYSTMX-UHFFFAOYSA-N 328.441 3.923 0 1 EHAF CC(C)(C)NC(=O)Nc1nc2cc(N)ncc2cc1-c1ccccc1 13834858 KRTWNZSIDWGFLP-UHFFFAOYSA-N 335.411 3.799 0 1 EHAF CC(C)(C)c1nc(NC(=O)CCCC(=O)O)ncc1-c1ccccc1 169318544 GBYKKCCJZPQBJS-UHFFFAOYSA-N 341.411 3.635 0 1 EHAF CSc1cc2c(=N[C@H](C)c3ccc(F)cc3)[nH]c(C)nc2cn1 1857536097 GHJGFPXHZCPXAN-SNVBAGLBSA-N 328.416 3.789 0 1 EHAF Cc1ccccc1-c1nc(CSCC(=O)N2CCCC2)c(C)o1 3058521 PWESJIDVNCZRQF-UHFFFAOYSA-N 330.453 3.814 0 1 EHAF CCOC(=O)c1sc2c(=O)n(CC)nc(-c3ccccc3)c2c1C 13761891 QZPKJKXCLBIPCC-UHFFFAOYSA-N 342.420 3.630 0 1 EHAF CCCCC[C@@H](O)C[C@H](CCc1ccc(O)c(OC)c1)OC(C)=O 15256922 OEGIGAPIFHYJOL-SJORKVTESA-N 338.444 3.596 0 1 EHAF endogenous,in-man COc1ccccc1Cn1cnc2c(-c3ccco3)nc(Cl)nc21 28476405 SNSXJBJSKFTQKW-UHFFFAOYSA-N 340.770 3.797 0 1 EHAF c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)noc2c1 34801047 SAPBLMHILRUAOB-UHFFFAOYSA-N 327.472 3.883 0 1 EHAF O=C1NC(=O)c2c1c(-c1cccs1)cc1[nH]c3ccc(O)cc3c21 34804047 NVKJFZMZYDGRSH-UHFFFAOYSA-N 334.356 3.639 0 1 EHAF Clc1ccc(Cc2nnc(Cc3ccc(Cl)cc3)nn2)cc1 40505606 ZXZPXSMTZOSSID-UHFFFAOYSA-N 331.206 3.755 0 1 EHAF CCOC(=O)N1CCN([C@H]2CCCc3c2[nH]c2ccc(C)cc32)CC1 71932052 KCLKFSNIKSIDJF-SFHVURJKSA-N 341.455 3.628 0 1 EHAF C[C@@H]1C(=O)[C@@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCc1ccoc1)[C@]32C 85693053 CFELHBJGZFKRSN-SUKGEVETSA-N 328.408 3.705 0 1 EHAF O=C(c1ccccc1Cl)N1CCn2c(-c3ccccc3)cnc2C1 95565236 TXNLOXAUUHMBDN-UHFFFAOYSA-N 337.810 3.860 0 1 EHAF CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(Cl)cc1 104115732 NGUMRQOAPPHHLH-MRPLLJTBSA-N 347.806 3.608 0 1 EHAF CCOc1ccc(Cc2sc(Nc3ccccn3)nc2O)cc1 169687652 MQMMZWGUNUVVMF-UHFFFAOYSA-N 327.409 3.977 0 1 EHAF CCCCOc1cccc2cc(C(=O)N[C@@H](C)C(C)C)c(=O)oc12 299867834 QOHUMPFRGCFQJU-ZDUSSCGKSA-N 331.412 3.746 0 1 EHAF CC(=O)[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991109 INGBROSHYQLMQF-LLVKDONJSA-N 329.355 3.771 0 1 EHAF CC(=O)Nc1ccc(Cl)c(-c2nc3cccc(C(=O)O)c3[nH]2)c1 587049292 GEOJRARFOAPUEL-UHFFFAOYSA-N 329.743 3.540 0 1 EHAF O=C1CCc2cc3nc(C4(c5cccc(Cl)n5)CC4)[nH]c3cc2N1 587086174 VUSQIHGLRHYDMV-UHFFFAOYSA-N 338.798 3.576 0 1 EHAF FC(F)COc1cccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)n1 587123484 KCGDGKXBXBNMTO-UHFFFAOYSA-N 345.136 3.971 0 1 EHAF Cc1cc(Br)cc2nc(-c3cc(N)c(N)cc3F)[nH]c12 587136804 WDBCGVNGVMOXQC-UHFFFAOYSA-N 335.180 3.604 0 1 EHAF COc1ccc(NC(C)(C)c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 587201474 NHQDAAHYZQICAM-UHFFFAOYSA-N 337.383 3.501 0 1 EHAF CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc2c3c(cccc3n1)CC2 587213319 VGUCPSPNXOPVEB-QWHZDKJVSA-N 336.435 3.914 0 1 EHAF Nc1cccc(C(=O)O)c1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587248424 PILWPOLGBHOEGU-UHFFFAOYSA-N 339.248 3.668 0 1 EHAF COc1cc(F)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587380482 ACAGMBPWGXRSNK-IBGZPJMESA-N 345.370 3.614 0 1 EHAF CC(C)C(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587809785 BGRYRPHTTZFPAX-HWPZZCPQSA-N 342.252 3.953 0 1 EHAF CC[C@@H]1C[C@@]2(CCO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587832512 KMNHWVSDFDQRRD-KANYHAFZSA-N 342.252 3.907 0 1 EHAF CC[C@]1([C@@H]2CCOC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587837125 ZMXIDKORNNHPHV-NSODJVPESA-N 342.252 3.764 0 1 EHAF COc1ccc(NCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873588 IIMNBUNNJACZDH-UHFFFAOYSA-N 339.326 3.556 0 1 EHAF COc1cc(C2(c3nc4cnc(C(F)(F)F)[nH]c-4n3)CC2)ccc1C 587928078 YDDHKGGTJYHEBB-UHFFFAOYSA-N 348.328 3.720 0 1 EHAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 587930883 QGUPVMYIPOKBEE-MGPLVRAMSA-N 348.328 3.777 0 1 EHAF O=C(NCCc1nc(-c2ccccc2)cs1)NCc1ccccc1 653856247 NANQCVVYDCHAQL-UHFFFAOYSA-N 337.448 3.852 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccn1)[C@@H]1CCNC1 963237687 YUQDCKQCBRPDGT-JUXOCIIHSA-N 335.495 3.591 0 1 EHAF Fc1ccc2c(c1)C[C@H](CCN1CCCN(c3ccccn3)CC1)C2 1857572512 RVMUAKCKCUJBKV-QGZVFWFLSA-N 339.458 3.538 0 1 EHAF COc1cc2c(c(OC)c1OC)[C@H](c1ccc(Cl)cc1)NC(=O)N2 1857639051 INEUTDAKFOBHIC-AWEZNQCLSA-N 348.786 3.590 0 1 EHAF O[C@@]1(c2ccc(/C=C/c3ccccc3)cc2)CN2CCCC[C@@H]2CO1 1857745576 GUDNLQXNRRGELR-BBDDESMNSA-N 335.447 3.887 0 1 EHAF CCc1ccc([C@H]2C[C@H](c3cccc(C)c3)n3nc(N)nc3N2)cc1 2472120 YVWSLWSKOYUHDI-QZTJIDSGSA-N 333.439 3.877 0 1 EHAF O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1[C@@H]1CCc2ccccc21 4394367 DJSKYZPZDYNMTH-SECBINFHSA-N 335.256 3.527 0 1 EHAF C[C@@H]1CCC[C@@H](NC(=O)Cn2cccc2C(=O)c2ccccc2)[C@@H]1C 5142327 NDXAYMJKOPRLOU-JFIYKMOQSA-N 338.451 3.660 0 1 EHAF Cc1cc(=O)c2c(O)c3c(c(/C=C/C(C)(C)O)c2o1)OC(C)(C)C=C3 13404267 MEDZOWDIKBGDII-SOFGYWHQSA-N 342.391 3.775 0 1 EHAF CC(=O)NC[C@H]1CCCc2c1c1cc(OC(F)(F)F)ccc1n2C 13777810 OHZCSWVNDUVLFN-LLVKDONJSA-N 340.345 3.633 0 1 EHAF Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H]2C)s1 14952110 RUBISUIXANSRAF-VHSXEESVSA-N 349.843 3.952 0 1 EHAF O=C([C@H]1CS[C@@H](c2cccnc2)N1)n1ccc2ccc(Cl)cc21 26152432 AZRSJQNXHUUSTF-ZBFHGGJFSA-N 343.839 3.734 0 1 EHAF COc1ccc(C(=O)c2cn3c(cc(OC)c4ccccc43)n2)cc1 28228061 RYXWWJIUKOUUHY-UHFFFAOYSA-N 332.359 3.736 0 1 EHAF c1ccc(CSc2ncnc3c2cnn3Cc2ccncc2)cc1 28894604 PNHGRIFEKVRUKB-UHFFFAOYSA-N 333.420 3.562 0 1 EHAF COc1cc2c(cc1NC=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 38317383 MHJZSCYVFBOSQO-IDLUEMFASA-N 327.424 3.689 0 1 EHAF C[C@H]1Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2C1(C)C 42920506 YPVUORZILHLSOT-SNVBAGLBSA-N 338.359 3.930 0 1 EHAF biogenic COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@H]2CC[C@H]1S2 101103049 RARSABFRLWAEFW-SYQHCUMBSA-N 341.270 3.990 0 1 EHAF Cc1cccnc1NC(=O)Nc1cccc2c1[C@H]1CCCCN1C2=O 118091650 YWZXVOUKTPVGKU-OAHLLOKOSA-N 336.395 3.715 0 1 EHAF CC(C)[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1 142144334 XWWXLKFJSOKZBU-DZGCQCFKSA-N 326.400 3.631 0 1 EHAF N[C@H]1CCC[C@@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)C1 144966086 VNIWTXNUFSBXML-LSDHHAIUSA-N 341.846 3.732 0 1 EHAF C[C@@H]1[C@@H](NC(=O)Cn2cccc2C(=O)c2ccccc2)CCC[C@H]1C 299872692 NDXAYMJKOPRLOU-RYRKJORJSA-N 338.451 3.660 0 1 EHAF Cc1cc(-c2nc3ncc[nH]c-3n2)ccc1-c1ccc(C(=O)O)cc1 586881048 SUTVUVFTWHUXDN-UHFFFAOYSA-N 330.347 3.645 0 1 EHAF Brc1cc2[nH]c(-c3ccc(Br)o3)nc2cn1 587007744 ONHQBYNHFTZJPE-UHFFFAOYSA-N 342.978 3.743 0 1 EHAF COc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1F 587154579 BHBPQMAIGBCYGW-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF Fc1cc2c(c(Cc3nc4cc(F)c(F)c(F)c4[nH]3)c1)OCOC2 587171616 QEDNFMWFGREKGF-UHFFFAOYSA-N 338.260 3.577 0 1 EHAF CN(C)c1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)nc1 587194493 GXCXHATVRZCFML-UHFFFAOYSA-N 335.180 3.593 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(F)cc3)CC1)O2 587385532 TWANGHIKMHNQLH-UHFFFAOYSA-N 340.398 3.721 0 1 EHAF COc1cc2c3c(c1)O[C@H](/C(=C/N(C)C)c1ccc(C)cc1)[C@@H](C2)C3=O 587429172 OIGAGMPIPVDZMK-ACWUMNFQSA-N 349.430 3.722 0 1 EHAF CCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1OC 587443395 VCJWPUHDUNERQX-KUHUBIRLSA-N 340.375 3.591 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cccnc2)N1 587775847 AGMMFPBOXKJKKD-GTNSWQLSSA-N 349.247 3.975 0 1 EHAF CCOCCOCc1nc2cc(Br)cc(Cl)c2[nH]1 587778294 JYKRCDYTKNOHOP-UHFFFAOYSA-N 333.613 3.532 0 1 EHAF COc1ccc(C=O)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587787949 TXOUUOJUXHCKTG-UHFFFAOYSA-N 336.269 3.950 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(O)cc(C(C)C)n1 587871634 LMVARHXUILAIOF-UHFFFAOYSA-N 342.374 3.696 0 1 EHAF CCCC1CCC([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)CC1 963529782 YBROKIYAAZMXDB-XPYAJCMZSA-N 331.456 3.947 0 1 EHAF CN(C)c1ccc(Cc2nc3cn(Cc4ccc(F)cc4)[nH]c-3n2)cc1 1857763407 AXNHFRBBMJUDSD-UHFFFAOYSA-N 349.413 3.555 0 1 EHAF CO[C@@]12CC[C@H](O)[C@@](C)(CC[C@H]3C(=CC=CC(C)C)COC(=O)[C@@H]31)C2 2356559379 IKHSDIHGAKFQFO-GCGJSEPQSA-N 348.483 3.644 0 1 EHAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NC[C@H](O)CC 4212267 FIFMXACLTWHOMK-QRQLOZEOSA-N 346.471 3.588 0 1 EHAF O=C(COC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(F)cc1Cl 5445477 AGLKJFIFZCWIST-QJPTWQEYSA-N 339.794 3.787 0 1 EHAF Fc1ccccc1CN1CCC[C@]2(CCN(Cc3ccccn3)C2)C1 11938454 KQYLMRCYVHNSKW-NRFANRHFSA-N 339.458 3.709 0 1 EHAF CC(C)(C)c1nnc2c3ccccc3c(OCc3ccccn3)nn12 13560005 CFYASTOPBBPUEO-UHFFFAOYSA-N 333.395 3.549 0 1 EHAF CNN(Cc1ccccc1)c1nnc(-c2ccccc2Cl)s1 26385722 IRDGQLKZZPUQIQ-UHFFFAOYSA-N 330.844 4.000 0 1 EHAF Cc1ccc(Oc2ncccc2C(=O)N(C)CCCN(C)C)c(C)c1 39264241 OUGMSCUFHOWTSV-UHFFFAOYSA-N 341.455 3.514 0 1 EHAF Cc1ccsc1[C@@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1O 67935324 OOGMHJDRBLDPOI-RHSMWYFYSA-N 340.448 3.528 0 1 EHAF CC[C@H](C)c1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231689 YZEGVKBKEDNAEA-LZWOXQAQSA-N 340.471 3.991 0 1 EHAF O=C(N1CCCc2ccccc21)N1[C@H]2CC[C@@H]1C[C@@H](c1cc[nH]n1)C2 101407874 XBWSJCDFRIBITA-OSYLJGHBSA-N 336.439 3.693 0 1 EHAF NC(=O)Nc1cc(CCc2ccc(F)c(C(F)(F)F)c2)ccn1 141283777 ODRCHWWBMHQWDO-UHFFFAOYSA-N 327.281 3.515 0 1 EHAF C[C@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(C=O)cc3)cc2)C1=O 169717829 JAVMDZBXQKOBNG-XCLFUZPHSA-N 338.428 3.946 0 1 EHAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3ccsc3)cc1)N2 253636781 BFMOQGLGYMZXPC-FJIDUMEYSA-N 327.449 3.812 0 1 EHAF CCOC(=O)c1csc2nc(-c3ccc(NC(=O)CC)cc3)cn12 473115012 QMNZZJNQZIMOCG-UHFFFAOYSA-N 343.408 3.588 0 1 EHAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 586938467 KACIIQAIGRSCGE-CYBMUJFWSA-N 343.452 3.615 0 1 EHAF Cc1ccc(NC(=O)CSCCc2nc3cccc(F)c3[nH]2)cc1 586971551 ZCFAKGJDHNOZCM-UHFFFAOYSA-N 343.427 3.925 0 1 EHAF C[C@@H](O)c1ncc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)s1 587021861 LQHFMLHSAOIGLY-LLVKDONJSA-N 349.415 3.971 0 1 EHAF COc1cc2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2cc1OC 587070482 HKMGIQKQGKEULW-UHFFFAOYSA-N 330.771 3.659 0 1 EHAF Cc1ccc(CCc2nc3c(F)cnc(Br)c3[nH]2)cc1N 587251158 ZXOOYZPWSICEEF-UHFFFAOYSA-N 349.207 3.535 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=O)c1ccc(Cl)cc1)O2 587377505 JJHXQKUFXUJLHP-GOSISDBHSA-N 329.783 3.837 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nn(C)c1C)O2 587392389 ZCEGVRSNSGOGNN-GOSISDBHSA-N 347.418 3.993 0 1 EHAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1OC 587399079 IJQHYJQTCWSEJG-QGZVFWFLSA-N 327.380 3.609 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ncc(F)cc1Cl)[C@@H](C2)C3=O 587429058 STHQFVINPXATMK-APPDUMDISA-N 333.746 3.546 0 1 EHAF CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1C1CC1 587517141 HTBRXBXHIZEKTF-OAQYLSRUSA-N 337.419 3.568 0 1 EHAF CN(C)Cc1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535170 IWTWKRPTSMGRMU-QGZVFWFLSA-N 342.464 3.790 0 1 EHAF CC[C@]1([C@@H]2CCOC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587837123 ZMXIDKORNNHPHV-KANYHAFZSA-N 342.252 3.764 0 1 EHAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587952546 SXNAFBSCWJUCDR-JDFRZJQESA-N 340.431 3.585 0 1 EHAF CC[C@@]1(c2c(C)[nH]c3ccccc23)NCCc2nc3ccccn3c21 962988260 XQGMXCOLFUGYKH-NRFANRHFSA-N 330.435 3.923 0 1 EHAF Cc1ccc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c2cccnc12 963025418 MJOQPLHSXGWBGA-RCDICMHDSA-N 343.430 3.686 0 1 EHAF CCOc1c(Cl)ccc([C@H]2NCCc3c(C(=O)O)cccc32)c1F 963130965 LSLZLCWZEDDHNM-INIZCTEOSA-N 349.789 3.811 0 1 EHAF CC(=CC[C@]1(C)CC[C@@H](C(C)(C)O)[C@@H]1CCC(=O)O)CCC(=O)O 2356347010 IDHHDXMWDQBKJS-ZRGWGRIASA-N 340.460 3.856 0 1 EHAF C[C@H](CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@@H](O)[C@@]1(C)O)CC(=O)O 2356783266 LACGHZYLBIIQEJ-QORYDSDHSA-N 340.504 3.842 0 1 EHAF CCC(CC)CN1CCC(CN2C(=S)NC[C@@H]2CC(C)C)CC1 61936106 YCJSGDLBYDGNSI-SFHVURJKSA-N 339.593 3.739 0 3 EHAF COc1cc([C@H]2Oc3c(O)ccc(C(C)=O)c3[C@H]2C)cc(OC)c1O 2356417916 QJCUODNUWZTFOT-LZVRBXCZSA-N 344.363 3.555 0 1 EHAF Cc1cc(Nc2ccc(C)c(Br)c2)n2nc(C)nc2n1 4822994 QTVBAXDREOCNQN-UHFFFAOYSA-N 332.205 3.556 0 3 EHAF CCOC(=O)[C@]1(C)CCCN(C(=O)Cc2ccc3ccccc3c2)C1 61928057 RRAOQKJXEDPLGQ-OAQYLSRUSA-N 339.435 3.574 0 3 EHAF N[C@H](Cc1ccc(Cl)cc1)c1csc(Nc2ncccn2)n1 61896834 VMKGMYSCBOXYLD-GFCCVEGCSA-N 331.832 3.573 0 3 EHAF CCCc1ccc(/C=C2\CN3[C@H]4CC[C@@H]3[C@H](C(=O)OC)[C@@H]2C4)s1 36271071 WPYLGFOVJBBYHQ-LQCZWOKTSA-N 331.481 3.740 0 1 EHAF COc1cc2nncc(-c3ccc(NC(C)C)nc3C)c2cc1OC 73314317 SRWDZVGNJJXGHF-UHFFFAOYSA-N 338.411 3.838 0 1 EHAF Nc1cnc(-c2ccc(-c3ccccc3-c3cncnc3)cc2F)cn1 224755920 PUUKHOVAUQEMTM-UHFFFAOYSA-N 343.365 3.989 0 1 EHAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H]2OC(=O)CCC/C=C/C[C@H]12 195388008 LJEHYEYWZYPKKY-VQOKHPCSSA-N 334.456 3.731 0 1 EHAF N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)s3)s2)s1 473087419 FJYJMGUNCGYRRE-UHFFFAOYSA-N 332.479 3.773 0 1 EHAF COC(=O)C[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587520700 ATOVCOLSSLROBJ-FQEVSTJZSA-N 330.424 3.879 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc(C)ccn1)[C@@H](C2)C3=O 587432038 TZJYGSBHAZJROI-BTYIYWSLSA-N 346.386 3.678 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CCCOC2)N1 587833443 GJXROGAGTYGAOP-PSLIRLAXSA-N 326.209 3.510 0 1 EHAF O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587616690 LZRWYEWOGMHFDS-LPHOPBHVSA-N 336.299 3.501 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cscn2)N1 587855062 TXEWQUYTKNMSNG-WPPNPWJKSA-N 327.222 3.668 0 1 EHAF Clc1cnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 587001891 ABXCWRGCVAFYLO-UHFFFAOYSA-N 348.591 3.917 0 1 EHAF CCO[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351689 GXQGRHCEEWNYJO-QWFCFKBJSA-N 342.366 3.828 0 1 EHAF COC(=O)c1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cn1 587175190 RXHBBUZMJSWTGI-UHFFFAOYSA-N 344.733 3.685 0 1 EHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cncc(Br)c2[nH]1 587164585 WZQVPEIMSSQIRD-CQSZACIVSA-N 349.207 3.511 0 1 EHAF COC(=O)c1occc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587529384 BAUZWDICBATMHY-MRXNPFEDSA-N 326.348 3.652 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](C)C2=O)N1 587823636 QKTVBQNLHLTDFB-XIZWVBILSA-N 340.236 3.707 0 1 EHAF Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587587583 OUQICQKCNMAMLW-FXAWDEMLSA-N 333.343 3.799 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cc(OC)ccc14)[C@@H](C2)C3=O 587438646 PMTKRROOLZXZIR-VBKZILBWSA-N 335.359 3.674 0 1 EHAF O=C(O)c1cccc2c1CCN[C@@]2(c1ccc(F)c(Cl)c1)C1CC1 963119702 HKRIVJDMANQUBE-LJQANCHMSA-N 345.801 3.977 0 1 EHAF CCN1CC[C@](O)(c2ccc(C)cc2)[C@H](C(=O)c2ccc(C)cc2)C1 5807726 ADTJYHHPIOXMGN-UNMCSNQZSA-N 337.463 3.716 0 1 EHAF COc1cc(OC)c(O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 13555560 MLWQSGQEOKVYHW-UHFFFAOYSA-N 342.178 3.969 0 1 EHAF COc1ccc2c(c1)C[C@@H](CNC[C@@H](O)c1cccc(Cl)c1)CC2 13892625 PYINOBOAVYEMER-VBKZILBWSA-N 345.870 3.777 0 1 EHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc(C)n1 19911895 FQYARWLCOUXURS-PQMNFKMDSA-N 344.411 3.591 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC(C)=CCCC(C)=C[C@@H]2O[C@H](O)[C@H](C)[C@H]21 2356416422 STIMKRWEFJAFHV-JGLNRKDHSA-N 334.456 3.910 0 1 EHAF Cc1cc(NC(=O)CSc2c3c(nc4ccccc24)CCC3)no1 4923701 OCNGHSOQOOQYAP-UHFFFAOYSA-N 339.420 3.751 0 3 EHAF aggregator CC[C@@H]1CN2CC[C@H]1C[C@H]2CNCc1ccc(C(F)(F)F)cc1 2356301640 OCZUFEDAOYLRNU-VYDXJSESSA-N 326.406 3.915 0 1 EHAF CCCCCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cn1 103177051 NIJMXCRKMPRUOL-UHFFFAOYSA-N 348.878 3.694 0 1 EHAF O=C1c2cccc(O)c2N[C@H](c2c[nH]c3ccccc23)[C@@H]2CC=CN12 2356327947 LPMXORSOJRRADU-FUHWJXTLSA-N 331.375 3.769 0 1 EHAF CN1C[C@@H]2C[C@H]1C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C2 40476726 PCEDEEWEONTUHP-LSTHTHJFSA-N 335.447 3.844 0 1 EHAF CC(=O)N1N=C2/C(=C/c3ccccc3)CN(C)C[C@H]2[C@H]1c1ccccc1 196482142 CSNDORMQFXNGNJ-ZZFKQEHHSA-N 345.446 3.591 0 1 EHAF OCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96173954 ZOXSPDARSPXASJ-UHFFFAOYSA-N 341.374 3.546 0 1 EHAF Cc1ccn2nc(C)c(C(=O)NCc3ccc(C(F)(F)F)cc3)c2c1 473136341 QAXPYWMVRSQLEY-UHFFFAOYSA-N 347.340 3.900 0 1 EHAF CCOC(=O)[C@@H](F)[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587501498 BZJYTOLGOFRODI-MJGOQNOKSA-N 334.387 3.581 0 1 EHAF Cc1cc(Cl)cc2[nH]c(-c3cccnc3SCC(=O)O)nc12 586966626 GTZCPBSSXSRCLJ-UHFFFAOYSA-N 333.800 3.763 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccco1)(c1ccco1)O2 587413954 UMTNVPRBMRCHBK-LJQANCHMSA-N 337.331 3.507 0 1 EHAF CCO[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587809197 IFRHTMBQUYOHMO-CKUKBARFSA-N 342.252 3.907 0 1 EHAF Fc1c(Br)cc2nc(CCOCC3CC3)[nH]c2c1F 587784108 LKQUSMIAIUYTGA-UHFFFAOYSA-N 331.160 3.573 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1nc4c(s1)CCCC4)[C@@H](C2)C3=O 587451974 LZMKPGQUFQFBPP-GTNSWQLSSA-N 327.405 3.519 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1nc(C)c(C)nc1C)CC2=O 587485802 KSBATCTYXWQHIB-KRWDZBQOSA-N 326.396 3.766 0 1 EHAF Cc1cc(-c2nc3ncncc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880096 MMYXMLFCLJHUEC-UHFFFAOYSA-N 330.347 3.694 0 1 EHAF COc1c(F)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1F 587135045 QYWGFEGZEBJFLH-UHFFFAOYSA-N 344.296 3.842 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCn1cccc12 587589020 SWSPABWHPUYAQD-NQIIRXRSSA-N 347.370 3.845 0 1 EHAF CC(C)(C)OC(=O)N1CC[C@@]2(Cc3c2nc2cccc4c2c3CC4)C1 587211283 CINJWJFPLOSFCW-OAQYLSRUSA-N 336.435 3.768 0 1 EHAF Oc1nncc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587082746 FCRTVVKHNKMEKE-UHFFFAOYSA-N 332.150 3.581 0 1 EHAF Cc1ccc([C@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529092 ITZQXFLUJAILFH-NRFANRHFSA-N 336.387 3.819 0 1 EHAF COc1ccc(C[C@@H](C)c2nc3ccc(Cl)nc3[nH]2)cc1OC 587927415 UJSZAYLWEBYEJU-SNVBAGLBSA-N 331.803 3.975 0 1 EHAF Cc1ccn(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)n1 587623079 KNDCRPVDOOLHAR-UHFFFAOYSA-N 330.189 3.609 0 1 EHAF CCSc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962902765 LXXJMYJACDRAJG-DOTOQJQBSA-N 331.412 3.626 0 1 EHAF CN1CCN(c2nc3ccccc3c3c2CCc2ccccc2-3)CC1 13742145 XZWNYGIFEAIRIB-UHFFFAOYSA-N 329.447 3.752 0 1 EHAF Nc1nc(-c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)c[nH]1 169325408 VVKLPMVYOXKMBX-UHFFFAOYSA-N 335.342 3.532 0 1 EHAF Cc1onc(-c2ccccc2)c1COc1ccc(NC(=O)C2CC2)cn1 169707487 AHWOEIYYKQUHSN-UHFFFAOYSA-N 349.390 3.973 0 1 EHAF O=C(NC1CCCC1)c1csc([C@H](O)c2cccc(Cl)c2)n1 206056877 KZNSZSCZDAHIGE-CQSZACIVSA-N 336.844 3.551 0 3 EHAF Clc1ccccc1COC[C@@H](c1ccccc1)N1CCNCC1 22926729 IIULAYXWOUPTCC-IBGZPJMESA-N 330.859 3.503 0 1 EHAF CN1C/C(=C\c2cccs2)C2=NN(C)[C@H](c3cccs3)[C@H]2C1 26742612 IGQWEABOPCBVFJ-IKGBRALXSA-N 329.494 3.797 0 1 EHAF COC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 34801390 IVJOAORQVUYFDW-URAMZHTCSA-N 347.499 3.639 0 1 EHAF CN(Cc1ccccc1)[C@H]1CCN(c2ccc(-c3ccccc3)nn2)C1 45337212 TVOQOQZONORGPY-FQEVSTJZSA-N 344.462 3.854 0 1 EHAF COc1ccc(C(=O)N2CC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 51048124 UEJADNIGXDDRQM-OAHLLOKOSA-N 335.407 3.510 0 1 EHAF biogenic Ic1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 63546578 SJRCHEDNOLABOY-ZBFHGGJFSA-N 349.215 3.937 0 1 EHAF CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCCC2 66074443 OPYUMOYXDATHNQ-UHFFFAOYSA-N 348.395 3.591 0 1 EHAF Brc1ccc(-c2nc(CNCc3ccccn3)co2)cc1 72183368 QGHGNHIAFSRNJS-UHFFFAOYSA-N 344.212 3.789 0 1 EHAF CCCCOCCCNc1cncc(Oc2ccccc2OC)n1 82068635 NJKMQAIYKJABDK-UHFFFAOYSA-N 331.416 3.896 0 1 EHAF Cc1ccc(NC(=O)c2ccnc3nc(-c4ccc(F)cc4)[nH]c23)cn1 84668451 YETNXCCQDPJOKQ-UHFFFAOYSA-N 347.353 3.720 0 1 EHAF O=C(CCCCN1CCCCC1)Nc1cc(-c2ccc(F)cc2)[nH]n1 84740609 POWHTVORLJYXLJ-UHFFFAOYSA-N 344.434 3.811 0 1 EHAF O=C1[C@H]2CC[C@@H](C2)[C@@]12C[C@]1(c3ccccc3)C(=O)c3ccccc3N1O2 195501584 BPLOZJUEXDCQPQ-GYISASMLSA-N 345.398 3.658 0 1 EHAF O=C1CCc2cc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3cc2N1 586890974 RNUJHUGMEVEFMP-QVKFZJNVSA-N 329.403 3.819 0 1 EHAF Fc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1F 587091541 KVIBZOHPWRFWEB-UHFFFAOYSA-N 329.228 3.844 0 1 EHAF COc1cc(OC)c2[nH]c(-c3cn(C)cc3C(F)(F)F)nc2c1 587111941 ISRHPIYDYZXIEH-UHFFFAOYSA-N 325.290 3.604 0 1 EHAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(Cl)cnc3[nH]2)n1 587118263 LTFMQLOGQOORSM-UHFFFAOYSA-N 341.724 3.752 0 1 EHAF CC(=O)N[C@@H](Cc1nc2ccc3ncccc3c2[nH]1)c1ccc(C)cc1 587216819 NSWMNRXXAIPRAS-IBGZPJMESA-N 344.418 3.839 0 1 EHAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 587249355 JBPYRWCYESPDOH-UHFFFAOYSA-N 336.178 3.741 0 1 EHAF C[C@]1([C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355709 GDDGTUBPXSNBLC-CYFNAFFESA-N 342.366 3.685 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)cc1N)[C@@H](C2)C3=O 587419072 JIPLAYYXKUNXJF-SCLBCKFNSA-N 329.783 3.594 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(C(C)(C)C)CC2=O 587483408 WSFNLNXGQSZYNY-LJQANCHMSA-N 334.412 3.658 0 1 EHAF Cn1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C(F)F 587506291 NGHHUOBHIOOLQR-OAHLLOKOSA-N 332.350 3.943 0 1 EHAF Cn1cnc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc21 587515693 OJKSMALIKCKHIA-GOSISDBHSA-N 333.391 3.554 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1F 587566896 BBSQSZHOULDDFN-YJBOKZPZSA-N 337.306 3.629 0 1 EHAF COCC[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595555 KQLLXLQGAKYGEL-XLIONFOSSA-N 342.391 3.785 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccccn2)N1 587774279 VIRHZYCRJZVFQO-PIGZYNQJSA-N 349.247 3.975 0 1 EHAF Cc1nc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 587776315 WMPCWHFUGNNVHR-VXJOIVPMSA-N 339.208 3.682 0 1 EHAF COc1ccc(C=O)cc1-c1nc2cc(Br)c(F)cc2[nH]1 587786339 GCDWLJWMOITQOT-UHFFFAOYSA-N 349.159 3.953 0 1 EHAF COCC(C)(C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587791830 IOZFGLGJVRDTAR-OTYXRUKQSA-N 330.241 3.836 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(-n2cnnc2)cc1 587871352 FXEAMXRCCJFOOX-UHFFFAOYSA-N 349.369 3.658 0 1 EHAF O=C(CCCCN1CCOCC1)n1c2ccccc2c2ccccc21 653687483 UTUPVCPLHHTHEJ-UHFFFAOYSA-N 336.435 3.937 0 1 EHAF COC(=O)c1c(F)cccc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963100779 JKHIWLTXWQLXRK-LIRRHRJNSA-N 343.373 3.861 0 1 EHAF CC1=CC=C[C@@H](C)C(=O)C[C@H](C(C)C)[C@H]2C=C(CC(=O)C1)C(=O)O2 2356550099 BMKPIWHFMRABEY-LSBZLQRGSA-N 330.424 3.571 0 1 EHAF CC1=CCC[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@H](C)C[C@H](O)[C@]13CO4 2356582715 UQXIOGAOBOQKTA-RRWCZSPKSA-N 330.424 3.755 0 1 EHAF C[C@@H](C(=O)O)c1c([C@]2(C)CCCC(C)(C)C2)ccc2c1CNC2=O 2356792572 JWDJVNHLOBMBGX-MPBGBICISA-N 329.440 3.976 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC=C2C=C3NC(=O)C(C)=C3C[C@@]2(C)[C@H]1C 2356870421 XQZCSXJJKSLFPI-ZLXGRDSLSA-N 327.424 3.571 0 1 EHAF NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCC3 2925639 CHYAJKOQMTYFLM-UHFFFAOYSA-N 327.409 3.506 0 1 EHAF Cn1nc(C(=O)Nc2cccc(F)c2)c2c1-c1ccsc1CC2 9687696 RGQGCSJJBFGTBZ-UHFFFAOYSA-N 327.384 3.639 0 1 EHAF CC(C)(C)c1cc(Br)c2c(c1)C(=O)[C@@H](n1ccnc1)CO2 27329988 FORIFJIHUHJWDU-ZDUSSCGKSA-N 349.228 3.760 0 1 EHAF COc1ccc(-c2c(N)oc3cc(Cl)ccc3c2=O)cc1OC 101504558 FAHOBSMKRBECOZ-UHFFFAOYSA-N 331.755 3.713 0 1 EHAF CNC(=O)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61908358 XGFDXNBKZQVVGJ-LJQANCHMSA-N 346.386 3.590 0 3 EHAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@@]4(C)[C@@H]3CC[C@]12C 29416429 QMLITUVHFWKQTB-CLIDLRMUSA-N 347.499 3.829 0 1 EHAF c1coc(COc2nc3ccccc3n3nc(-c4ccco4)nc23)c1 29123979 CAHPUFMKSHIKQH-UHFFFAOYSA-N 332.319 3.710 0 1 EHAF Cc1ccc(C(=O)N[C@@H](Cc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 61945310 QKZBXAXQCYHDHQ-SFHVURJKSA-N 339.435 3.718 0 3 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H]4[C@@H](C[C@H]21)[C@@]4(C)[C@H]3O 2356581295 RDPBMMCACGFEDD-NWLMFXIXSA-N 332.484 3.789 0 1 EHAF CC1=CCC[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@H](C)C[C@@H](O)[C@]13CO4 2356582716 UQXIOGAOBOQKTA-ZBMCGTDOSA-N 330.424 3.755 0 1 EHAF CCCN1C(=O)COCc2cc(-c3cccc(NC(C)=O)c3)ccc21 74375503 HZQLQOMTRWJWHP-UHFFFAOYSA-N 338.407 3.585 0 3 EHAF CN(C)CCOc1ccc(C(N)=O)cc1/C=C/c1ccc(Cl)cc1 73197161 SZYUPZBOBVKUHE-ZZXKWVIFSA-N 344.842 3.550 0 1 EHAF COc1cc2c(cc1NC(N)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 49016534 AIHISFRJMKGSQU-OOVWBHHBSA-N 342.439 3.611 0 1 EHAF COCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C)cc2)c1 84709432 DSTCQYIRHICIAC-UHFFFAOYSA-N 341.432 3.847 0 1 EHAF Cc1c(Br)cnc2[nH]c([C@H]3Cc4cc(F)ccc4O3)nc12 587174469 PRGQIBYLPRWWNC-GFCCVEGCSA-N 348.175 3.844 0 1 EHAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(Br)nc3[nH]2)cc1 586889414 NOUIPRYXIWDYDY-IINYFYTJSA-N 346.228 3.866 0 1 EHAF Cc1cncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587585698 GZTSWXKYJAAVRS-WIYYLYMNSA-N 347.370 3.973 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(C(=O)O)c1)CC2=O 587466092 JPBRUUQQDMWENJ-QGZVFWFLSA-N 344.338 3.889 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4nccc-4c1Cl)[C@@H](C2)C3=O 587418544 BZACFVXBBSJEHQ-GTNSWQLSSA-N 340.766 3.665 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)cn1)O2 587371779 MURSAFSDOIHMJC-MRXNPFEDSA-N 347.212 3.615 0 1 EHAF COc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cn1 587226002 OAQMBSGJRGSOSC-OAHLLOKOSA-N 346.431 3.723 0 1 EHAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(Br)nc2[nH]1 587196860 ZEOIYCXGQQVSPL-JTQLQIEISA-N 345.244 3.938 0 1 EHAF CN(C)C(=O)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 586896082 JFSDBWWMRBEBQU-UHFFFAOYSA-N 337.423 3.536 0 1 EHAF CC(C)c1nn(C)c2c1[C@](CCCCCC(=O)O)(C1CCC1)NCC2 962918196 NHTRIAAIOKVWRX-FQEVSTJZSA-N 347.503 3.720 0 1 EHAF CC(C)(C)N1C[C@@H]2C[C@H](C1)C21c2c(F)cccc2C[C@@H]2CCCN21 963095125 CIIAFDRJKCLZEQ-VDXVPGQCSA-N 328.475 3.792 0 1 EHAF O=C1O[C@@H](CN2CCCCC2)CC1(c1ccccc1)c1ccccc1 13651086 WZMJBWBEEZNFQK-HXUWFJFHSA-N 335.447 3.774 0 1 EHAF Fc1cc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c(F)c1 13759878 FSXKIIYITCFGGK-UHFFFAOYSA-N 345.777 3.681 0 1 EHAF in-vivo CC(C)CCNC(=O)CCc1nc2cccnc2n1-c1ccccc1 6737647 PTJMJMXSLHISBS-UHFFFAOYSA-N 336.439 3.515 0 1 EHAF CCc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C(C)/C2=C(/O)OC)cc1 103544347 FQZRURWRSSNZFW-XMGGNUPJSA-N 329.396 3.670 0 1 EHAF Cc1ccc2c(c1)cc(-c1nc3cc(Cl)ccc3[nH]1)c1nnnn12 103201593 FVUIKRLNPAQZSU-UHFFFAOYSA-N 334.770 3.783 0 1 EHAF CSc1nc2sc3c(c2c(=O)n1-c1ccc(F)cc1)CCC3 28949177 CGTYDBQIOVHKEG-UHFFFAOYSA-N 332.425 3.797 0 1 EHAF CN1CCc2cccc3c2[C@H]1Cc1ccc(Br)c(O)c1-3 27656785 LOSIOYLXOVSGIE-CQSZACIVSA-N 330.225 3.907 0 1 EHAF O=S1(=O)N=C(N(c2ccccc2)C2CCCCC2)c2ccccc21 64573176 UDBVUIKVQRUURO-UHFFFAOYSA-N 340.448 3.975 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@@]2(C)[C@@H]1C(=O)O 2356565969 SFPQRJXDXQUVHX-FWYGIPPASA-N 346.423 3.682 0 1 EHAF COc1ccc(-n2nnc3ccc(NCc4ccc(F)cc4)nc32)cc1 73293821 LUUHQFGYSIQLSE-UHFFFAOYSA-N 349.369 3.575 0 1 EHAF CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 230073649 MNAWVYVJBYBTFK-ZLIFDBKOSA-N 342.464 3.573 0 1 EHAF CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 34235857 NRFUGXICRLTIFH-PYIJOLGTSA-N 336.472 3.922 0 1 EHAF biogenic CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(-c3cnccn3)c2c1 587650951 IJTAKAQBCPAEPT-UHFFFAOYSA-N 349.415 3.695 0 1 EHAF Oc1c(Br)ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 587173600 GCRYKTSAKFNVJO-GFCCVEGCSA-N 349.159 3.846 0 1 EHAF CCC(=O)Nc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587392064 WJXYXESHPBHKIG-FQEVSTJZSA-N 338.407 3.806 0 1 EHAF O=C1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H]2C1)-c1ccccc1C5=O 586991250 RXRMJXFNPPTFRC-QMTHXVAHSA-N 341.366 3.771 0 1 EHAF COc1ccc(C)cc1C(=O)CCc1nc2c(Cl)ccnc2[nH]1 587787137 KFDYTTFBTXELNT-UHFFFAOYSA-N 329.787 3.744 0 1 EHAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ncc[nH]c-3n2)c1 587240695 HXAJKZYGRIXTOP-UHFFFAOYSA-N 330.395 3.914 0 1 EHAF CCOC(=O)/C(=C\N(C)C)c1[nH]c2ccc(F)c(Cl)c2c1CC 587630654 ODAYHDWLVKTSGV-LUAWRHEFSA-N 338.810 3.988 0 1 EHAF O=C(/C=C\c1nc2cc(Cl)c(Cl)nc2[nH]1)Nc1ccccc1 587244639 QJOFXEAPAHAKEI-SREVYHEPSA-N 333.178 3.917 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(O)c(OC)c1)[C@@H](C2)C3=O 587422442 PQPSXUIOTTZWAF-VOJFVSQTSA-N 346.766 3.552 0 1 EHAF CCn1nc(C)c(Br)c1C(=O)c1coc2ccccc12 587280356 BUZJKEIWWPYHPC-UHFFFAOYSA-N 333.185 3.951 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3cc(Cl)ccc3n1C)O2 587379603 JOTMZSSBSKZXCC-INIZCTEOSA-N 341.798 3.824 0 1 EHAF C[C@]1(c2nccnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587496893 CFJHXYMBGWLRRM-GOSISDBHSA-N 328.799 3.889 0 1 EHAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cnccc2[nH]1 587258683 QSDICQZFDQNOOI-INIZCTEOSA-N 345.406 3.530 0 1 EHAF Oc1nc2cc3nc([C@H]4SCCc5sccc54)[nH]c3cc2[nH]1 587036531 DWHQGYGMOGWTRL-ZDUSSCGKSA-N 328.422 3.585 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cccs1)O2 587410998 AJDLZZCBGMZWRX-DKFQHHCZSA-N 328.437 3.575 0 1 EHAF O=C1c2ccccc2-c2cc(-c3ncc(F)cn3)nc3ccc(O)c1c23 586988805 RETSNHKEEASMAB-UHFFFAOYSA-N 343.317 3.748 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnc(OC)c4ccccc14)[C@@H](C2)C3=O 587434757 ATDYSXMUOJVYBJ-MGPUTAFESA-N 347.370 3.741 0 1 EHAF COc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1Cl 587969337 MUCSEDVQWQHEFI-GNBKPXKDSA-N 330.815 3.872 0 1 EHAF c1cc(-c2ccsc2)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587026347 CGLKSJOQOKFAGF-UHFFFAOYSA-N 344.403 3.934 0 1 EHAF C[C@@]1(c2nccnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587496895 CFJHXYMBGWLRRM-SFHVURJKSA-N 328.799 3.889 0 1 EHAF CC[C@@]1(c2cccc(Cl)c2)NCCc2ccc(C(=O)N(C)C)cc21 962931449 NMWGURQKNGKZGH-FQEVSTJZSA-N 342.870 3.841 0 1 EHAF CCOc1c(Cl)ccc([C@@H]2NCCc3c(C(=O)O)cccc32)c1F 963130967 LSLZLCWZEDDHNM-MRXNPFEDSA-N 349.789 3.811 0 1 EHAF C[C@H](CCO)CCC1=C(C(=O)O)[C@@H](O)C[C@H]2C(C)(C)CCC[C@]12C 13330363 RKAPARDPGINYIT-XCGRYBKZSA-N 338.488 3.764 0 1 EHAF CNc1nc(-c2ccccc2)nc2c1ncn2Cc1ccccc1F 13762284 LJBLMWUZJMRBCY-UHFFFAOYSA-N 333.370 3.722 0 1 EHAF COc1cc(COCC2(c3ccccc3)CCNCC2)cc(OC)c1 13781987 VWWCVKHTTUEFDI-UHFFFAOYSA-N 341.451 3.542 0 1 EHAF C[C@H]1CN(CC[C@@H](O)C2CCCC2)CC[C@@]1(C)c1cccc(O)c1 13833045 QNGDZOWOJWOVFY-ZLGUVYLKSA-N 331.500 3.933 0 1 EHAF CC(C)(C)c1nn2cc(Cl)ccc2c1Cc1cccc(C(=O)O)n1 203415733 GTRIWBXKXBBKLV-UHFFFAOYSA-N 343.814 3.969 0 1 EHAF CCC(CC)NC(=O)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205711191 ZPSALUHMRGWQCK-URLQWDBASA-N 336.476 3.615 0 3 EHAF CCc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=C(C)/C1=C(\O)OC 100025620 GIFOAWPLYCNTNB-LXMVLSBBSA-N 329.396 3.670 0 1 EHAF COC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(Cl)cc1Cl 103185242 ZRUJGTRYHMYESH-DYLGSBMWSA-N 344.238 3.711 0 1 EHAF CCc1ccc(C(=O)c2c(SC)cc3n2CC[C@@H]3C(=O)O)cc1 28224406 KRPNGZFFKMDWAF-ZDUSSCGKSA-N 329.421 3.575 0 1 EHAF CO[C@]1(C)C[C@H](c2ccccc2)c2c(c3cc(O)ccc3oc2=O)O1 27558085 BZHUMHCHTRYRMG-QRWLVFNGSA-N 338.359 3.776 0 1 EHAF COc1cc(O)c2c(c1)CCCCCC(=O)CCC[C@H](C)OC2=O 28525040 BLBKPKVSVKHTRX-ZDUSSCGKSA-N 334.412 3.802 0 1 EHAF O=C1CN2Cc3c(sc4c3CCC[C@H]4Cc3ccccc3)NC2=N1 27212720 ODUNDXAUTONECN-ZDUSSCGKSA-N 337.448 3.534 0 1 EHAF C[C@@H](Oc1cccc2nc(N)nc(N)c12)c1ccc(C(F)(F)F)cc1 28971565 PSBJDAFUYBSOBQ-SECBINFHSA-N 348.328 3.953 0 1 EHAF CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1cccc(OC(C)C)c1 61930580 LPZMSXRMFFOHFM-IBGZPJMESA-N 332.444 3.594 0 3 EHAF COc1cc(O)ccc1C1=CC2=C(OC1)[C@@H]1C=CC(C)(C)O[C@H]1C=C2 2356713943 WYTRYIAHWURYTM-MSOLQXFVSA-N 338.403 3.988 0 1 EHAF COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26391837 IVJOAORQVUYFDW-XEVKMFBRSA-N 347.499 3.639 0 1 EHAF COc1cc2c(c3oc(=O)ccc13)C[C@H](C(C)(C)OCC=C(C)C)O2 14683065 SYFVJFVLBNPICV-QGZVFWFLSA-N 344.407 3.867 0 1 EHAF biogenic Cc1cnc(Nc2ccccc2)nc1NCCC(=O)Nc1ccccc1 45189429 SMWUBIOTBIIZCT-UHFFFAOYSA-N 347.422 3.969 0 1 EHAF O=C1C[C@H](c2cccc(Br)c2)Oc2cc(O)cc(O)c21 40863331 NYKQDHRWOHMWTF-CYBMUJFWSA-N 335.153 3.567 0 1 EHAF CC(=O)Nc1cccc(-c2cc3c4ccccc4n(C(C)=O)c3nn2)c1 221009979 PWOJOQIYWKFOCQ-UHFFFAOYSA-N 344.374 3.870 0 1 EHAF COC(C)(C)c1cncc(-c2ccc3c(c2)CCc2nnc(C)n2-3)c1 95586429 MDISRFPYOOBZRK-UHFFFAOYSA-N 334.423 3.618 0 1 EHAF O=S(=O)(O)c1ccc2c3c1-c1cc(ccc1O)CC/C=C/[C@@H]3CC2 238788071 CBBIDYRXXXFJTL-CXLRFSCWSA-N 342.416 3.838 0 1 EHAF O=C(NC1CCCCC1)c1ccc(OCc2ccc(F)cc2)nc1 95580063 CFEUPGMLFNMWMS-UHFFFAOYSA-N 328.387 3.862 0 1 EHAF Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C 587791402 LWPAJDKSBZDTMZ-WJWGPLDTSA-N 338.224 3.552 0 1 EHAF Oc1ncnc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12 587015509 GCVQLEFBPZUBRR-UHFFFAOYSA-N 329.772 3.502 0 1 EHAF Oc1ccc(C2(c3nc4ccc(F)c(F)c4[nH]3)CCOCC2)cc1 586913554 QAAHHLRHWCSYQL-UHFFFAOYSA-N 330.334 3.643 0 1 EHAF N=c1[nH]oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 587512311 WRAJRWYBVLHASL-SFHVURJKSA-N 334.375 3.826 0 1 EHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587164049 QPVZJLOBMVDTAK-CYBMUJFWSA-N 338.308 3.767 0 1 EHAF CC(C)C(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587512970 GZNHFBCXNNWIRE-UHFFFAOYSA-N 341.451 3.548 0 1 EHAF COC(=O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521376 CRAHAARULKUCJU-OAQYLSRUSA-N 336.387 3.599 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cnccc32)N1 587778393 MTJMLRFTOYIOTE-BTDLBPIBSA-N 347.231 3.707 0 1 EHAF N[C@@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@@H]1c1ccccc1F 587155252 IZRXHLBSCNYSBC-GLEZIHRCSA-N 337.185 3.745 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cn(C)c4ccccc14)[C@@H](C2)C3=O 587430301 GKQXGGLBERTFIE-YCRPNKLZSA-N 333.387 3.850 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4nc(Cl)ccc14)[C@@H](C2)C3=O 587422829 VAKGHACJXBHJKK-APPDUMDISA-N 340.766 3.714 0 1 EHAF CSc1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1 587042769 GGAYOHPLJIWFDH-UHFFFAOYSA-N 327.434 3.996 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(C(=O)OCCC(C)C)CC2=O 587481435 MIOVHMRPWFWYRP-IBGZPJMESA-N 334.412 3.658 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C3CCCC3)nc1C)O2 587391952 POMYYOVLHPLEKS-GOSISDBHSA-N 325.412 3.904 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)n1 587571953 SMXIGFFWQLJKLC-APWZRJJASA-N 337.306 3.629 0 1 EHAF COC(=O)[C@@H]1CCCC[C@]12NCCc1c(Cl)cc(Cl)cc12 963126197 VKKBHDSWBROUMV-LRDDRELGSA-N 328.239 3.698 0 1 EHAF COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1c(C)cc(C)cc1C2=O 5539697 UXAZKBHZGZZGML-GHTZIAJQSA-N 348.402 3.817 0 1 EHAF O=C(O)c1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 13588863 GPDPELWJBPYYQY-UHFFFAOYSA-N 329.739 3.739 0 1 EHAF CC(=O)O[C@H]1CC[C@H]2[C@H]3CC[C@H]4CNC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169309900 UOHCSROFYMVISA-XVYLQWLCSA-N 347.499 3.687 0 1 EHAF COc1c(C(C)C)ccc2c1[C@H](O)C=C1C3=C(CC[C@@]12C)C(=O)OC3 1857753816 HQIKTHUBSMQXCB-DYESRHJHSA-N 340.419 3.697 0 1 EHAF O=C(O)c1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)cc1 1857754624 OGHRWBPLBMJOMU-UHFFFAOYSA-N 326.135 3.650 0 1 EHAF CCCCC1=NC2(CCCC2)C(=O)N1Cc1cc2c(cc1C)OCO2 28867660 MPYRVOAJFAMHDI-UHFFFAOYSA-N 342.439 3.967 0 1 EHAF COCCCc1ccc(C[C@@H]2C=C(C)[C@H](O)C[C@H]2C(C)(C)O)cc1 2356355325 SZUDDSYQSZTMMJ-XUVXKRRUSA-N 332.484 3.522 0 1 EHAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccc2ccccc12 100809708 JKAFFXOGVDWHNS-DRERRVHBSA-N 333.431 3.879 0 1 EHAF CCCC[C@@]12C[C@@]1(C(=O)N1CCCC1)C(=O)Nc1ccc(Cl)cc12 102330121 HIVMANFBNGNVTA-OALUTQOASA-N 346.858 3.733 0 1 EHAF CCCC1=Nc2ncnn2[C@@H](c2ccc(F)cc2)/C1=C(\O)OCC 101502898 UWTOUOQQPQIUCA-IDTYTIONSA-N 330.363 3.699 0 1 EHAF C=C(O)c1ccc2n1C(=O)c1cccc(NC(=O)Nc3ccccn3)c1-2 100047415 JMZWTTGRDMWGQV-UHFFFAOYSA-N 346.346 3.725 0 1 EHAF O=C(Nc1ncnc2nc(-c3ccc4ccccc4c3)[nH]c12)C1CC1 58506744 XWRHYJOJCMRKIR-UHFFFAOYSA-N 329.363 3.522 0 1 EHAF COc1ccc2cc(/C(CC(C)=O)=C3/SC(=O)NC3=O)ccc2c1 102187310 MCELURSDWBWFOS-FOCLMDBBSA-N 341.388 3.522 0 1 EHAF CCN(CC)CCOC(=O)c1ccccc1CCc1ccccc1 29312839 VGRLDUMWHKPJIA-UHFFFAOYSA-N 325.452 3.970 0 1 EHAF CO[C@]1(C)C[C@@H](c2ccccc2)c2c(c3cccc(O)c3oc2=O)O1 27556526 ZYGQQWWTOAMQBQ-XOBRGWDASA-N 338.359 3.776 0 1 EHAF Cc1ccccc1[C@H]1CC(c2ccccn2)=NN1C(=O)c1ccncc1 38243983 XPATUSNQYPUKRF-HXUWFJFHSA-N 342.402 3.777 0 1 EHAF O=C(CN1CCCCC1)NN1c2ccccc2Sc2ccccc21 73195989 ALVVXSSFOOYRDP-UHFFFAOYSA-N 339.464 3.806 0 1 EHAF in-vitro CN(C)CCOc1cc(O)c2c(c1)OC(C)(C)C=C2c1cccs1 45228788 XEFXRSADTSNMGE-UHFFFAOYSA-N 345.464 3.997 0 1 EHAF CC(C)c1cc(C(C)C)c2nc3sc(C(=O)O)cn3c(=O)c2c1 40465044 SXKWNPKYPBOBHK-UHFFFAOYSA-N 330.409 3.854 0 1 EHAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCNCC3)cc12 226094498 MJRNPYFGLVZCNJ-UHFFFAOYSA-N 325.387 3.845 0 1 EHAF COc1ccc2oc(CSC(=S)N3CCCCC3)cc(=O)c2c1 43011732 XSXSDUPGEZGFCN-UHFFFAOYSA-N 349.477 3.806 0 1 EHAF CCO[C@@H](Cc1cccc(C2=NO[C@H](c3ccccc3)C2)c1)C(=O)O 40423580 DDXOKUHUAQEPLL-OALUTQOASA-N 339.391 3.585 0 1 EHAF Cc1cnc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)s1 95604214 RFQANKNFJBQQGX-UHFFFAOYSA-N 330.388 3.552 0 1 EHAF Cc1cncc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587004206 RCQOVZRYYKBJIH-UHFFFAOYSA-N 328.173 3.572 0 1 EHAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sn1 587854068 BJKJOENPEQYBKF-UOWDBTKRSA-N 341.249 3.977 0 1 EHAF CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCC2 587444083 SCPFKQZHCIPTGH-AKCHCHLHSA-N 328.408 3.551 0 1 EHAF COC(C)(OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989359 GFMVXGCCEDZBTP-UHFFFAOYSA-N 335.359 3.617 0 1 EHAF COC(=O)C[C@H](C)Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587784212 FSQHXWNUXUDBDT-CQSZACIVSA-N 338.407 3.884 0 1 EHAF Oc1cccc([C@@H](O)c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 586890444 JNXOJRUKGFRUIM-HXUWFJFHSA-N 346.386 3.929 0 1 EHAF COc1ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2n1 587048124 FDVWMCMXVYMMRN-UHFFFAOYSA-N 344.802 3.881 0 1 EHAF COC(=O)Nc1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 587243260 HXONKECPSMTXKT-UHFFFAOYSA-N 336.273 3.822 0 1 EHAF N[C@@H](c1ccsc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587025302 KVPXGKRHAFHVJN-JTQLQIEISA-N 348.300 3.722 0 1 EHAF CC(C)(C)c1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2n1 587043802 NHCZMQSQVZUQIH-UHFFFAOYSA-N 338.436 3.967 0 1 EHAF COc1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 586983304 YNYYRVXAPKSVLZ-UHFFFAOYSA-N 331.169 3.814 0 1 EHAF COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@H](N=O)[C@@H]2CC[C@@]1(C)C2(C)C 587427119 CASCLXGKBZMYKU-IVGYAISCSA-N 341.407 3.773 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc([C@H](C)N(C)C)c1)[C@@H](C2)C3=O 587427647 DSAIJBSGXPBEJO-LJOBPSPCSA-N 337.419 3.807 0 1 EHAF CCO[C@@H]1C[C@]2(NCCc3cc(C)c(F)cc32)[C@H]1Oc1ccccc1 962148263 SKBDVBUOAJATLN-QHAWAJNXSA-N 341.426 3.732 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3cccs3)cc1)N2 169346393 OJTSMYGJKFOMBK-DFGXFYAUSA-N 327.449 3.812 0 1 EHAF CC1=C2CC/C(C)=C\CC[C@@]3(C)O[C@H]3CC[C@](C)(O)/C=C\2OC1=O 169348036 ISOHZXFJJWEPNL-YXCQZPOMSA-N 332.440 3.953 0 1 EHAF Cn1cc(NC(=O)NCCC2=CCCCC2)c2ccccc2c1=O 6931642 DDMDYVYDTDCYLO-UHFFFAOYSA-N 325.412 3.551 0 1 EHAF C[C@H](CCO)CCC1=C(C(=O)O)[C@H](O)C[C@H]2C(C)(C)CCC[C@]12C 13330359 RKAPARDPGINYIT-NCLAMWEWSA-N 338.488 3.764 0 1 EHAF biogenic COc1ccc2c(c1C(C)C)CC[C@H]1C(C)(C)[C@H](O)CC(=O)[C@]21C 14768618 ZUAARWHKJNAGGD-CSODHUTKSA-N 330.468 3.999 0 1 EHAF biogenic COC(=O)[C@H]1[C@@H](c2cccc(-c3ccco3)c2)C[C@@H]2CC[C@H]1N2C 26257953 ITEKLFIKJBIAEP-FAJBIJEISA-N 325.408 3.686 0 1 EHAF C[C@@H]1CC[C@@H]2CC(=O)O[C@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23O4 26825401 BLGPIPDZAGONIW-FMHVOVLGSA-N 342.435 3.830 0 1 EHAF COc1cc2ncnc(Nc3ccc(Cl)c(O)c3)c2cc1OC 28823936 CEQUQTKEVIQAMX-UHFFFAOYSA-N 331.759 3.750 0 1 EHAF Cc1nnc([C@H](Cc2ccccc2)n2sc3ccccc3c2=O)o1 95595057 QVHCPXVTUUCORT-HNNXBMFYSA-N 337.404 3.587 0 1 EHAF Cn1c(N)nc([C@H]2C[C@H]2c2cccc(/C=C/c3ccccc3)c2)cc1=O 96907173 UCQZIIHWMIDKQX-MIMFYIINSA-N 343.430 3.804 0 1 EHAF Cc1cnc(CCC(=O)N[C@H]2CC[C@H](c3ccc(O)cc3)CC2)s1 101096779 YRDBOFSDLLYYQB-FZNQNYSPSA-N 344.480 3.932 0 1 EHAF Cc1noc(C)c1Cn1cc(NC(=O)C[C@H](C)c2ccccc2)cn1 115730114 TVKOSAUHEVFTSK-ZDUSSCGKSA-N 338.411 3.669 0 1 EHAF COc1ccccc1CNC(=O)Nc1nc(-c2ccncc2)cs1 166153314 YPASQEGHVZNZGD-UHFFFAOYSA-N 340.408 3.535 0 1 EHAF COc1cc(C)c2[nH]ccc2c1C(C)(C)c1nc2ncc(C#N)cc2[nH]1 219479142 RCFXHYBGKNUDMF-UHFFFAOYSA-N 345.406 3.954 0 1 EHAF CCOC(=O)c1ccc(Nc2ccnc(-c3cccnc3)n2)c(F)c1 221581396 GMXHDZHTSKMQTC-UHFFFAOYSA-N 338.342 3.598 0 1 EHAF C[C@]1(CCc2ccoc2)[C@H](CO)CC[C@@]23COC(=O)C2=CCC[C@@H]31 238765868 IUUPLAKTJXUQFN-MFHCWRBVSA-N 330.424 3.500 0 1 EHAF CC[C@@]12CC=CCN1CCc1c([nH]c3ccccc13)[C@@H](C(=O)OC)C2 238767527 XVKIGDHYWANMRL-UWJYYQICSA-N 338.451 3.781 0 1 EHAF C[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5CC(=O)CC[C@]54C)[C@@H]2CC[C@H]13 299847826 GQKUJAPLKAESKA-HCAKDQDKSA-N 332.484 3.933 0 1 EHAF Oc1ccc(C2(c3nc4cc(-n5cccn5)c(F)cc4[nH]3)CC2)cc1 586898777 NYZGENKHSKTPAG-UHFFFAOYSA-N 334.354 3.673 0 1 EHAF Cc1c(F)ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 587074975 CJQXQQAUUHKQIK-UHFFFAOYSA-N 327.750 3.912 0 1 EHAF FC(F)(F)c1ccccc1Cc1nc2cc3c(cc2[nH]1)OCCO3 587108014 OHMVBZCEXLHIMC-UHFFFAOYSA-N 334.297 3.944 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccsc1)O2 587413877 QRFHYWYKXAFLDF-OAHLLOKOSA-N 325.393 3.735 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4cccn4)cc1)[C@@H](C2)C3=O 587431174 IVYDLXQBNZCIMV-UWJYYQICSA-N 346.386 3.544 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ncc(C)nc1C)CC2=O 587486867 MVPSAYHBKFMSPL-IBGZPJMESA-N 326.396 3.632 0 1 EHAF CC(=O)Nc1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 587536264 TXBGSGOAFUSPBJ-INIZCTEOSA-N 342.420 3.687 0 1 EHAF CCc1oc2ccc(C(C)=O)cc2c1-c1ccc2c(O)nc(O)nc2n1 587560964 LFUNUWXLIWXMJO-UHFFFAOYSA-N 349.346 3.614 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)CN(C)C)N1 587739900 HZQWFKVQECWFMC-ZUZCIYMTSA-N 343.284 3.751 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCC2=O)N1 587822682 LXNLSIKPTGECTQ-SEFYAATASA-N 340.236 3.707 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(Cc3cccc(OC)c3)nc2c1 587931174 MJLGJKMOFXDWSJ-UHFFFAOYSA-N 330.771 3.602 0 1 EHAF COc1ccc(OC(C)(C)C)n1-c1n[nH]c(-c2ccccc2F)n1 587944553 BYVSMFGJUMWAEZ-UHFFFAOYSA-N 330.363 3.587 0 1 EHAF Cc1c(Br)cnc2nc(C(=O)CCc3ccccc3)[nH]c12 587952836 AHJDOKZGEIFWTM-UHFFFAOYSA-N 344.212 3.844 0 1 EHAF COc1ccc(CCC(=O)c2ccc(OC)c(OC)c2)cc1OC 1772627988 WUWWRWSNHJOQDD-UHFFFAOYSA-N 330.380 3.537 0 1 EHAF NC(=O)c1c[nH]c(-c2ccccc2)cc1=Nc1cccc2ncccc12 1772628993 UZJWZIIYDSHAHT-UHFFFAOYSA-N 340.386 3.561 0 1 EHAF C[C@@H]1N=C(c2ccc3ccccc3c2)Nc2nc3ccccn3c2C1=O 1772648369 MVBKCFATRUMIOE-ZDUSSCGKSA-N 340.386 3.931 0 1 EHAF C[C@@H]1C[C@H]2Cc3ncc([C@@H]4CCCCN4)cc3[C@]3(C1)NCCC[C@H]23 1857550516 CBXOHGXYZLTBEW-UXPGNFPBSA-N 325.500 3.693 0 1 EHAF Cc1cc(-c2cnc3ccn(CC(=O)N(C)C)c3c2)ccc1Cl 1857552535 KQDCJFVXGJPAGK-UHFFFAOYSA-N 327.815 3.753 0 1 EHAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 2356810893 BCLMPJIZRTZMRI-XUVXKRRUSA-N 329.484 3.882 0 1 EHAF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]1CC[C@]1(C)C=CC=C(C)[C@@H]21 2356438176 VIAZXGSKYDTXOR-UKSSEWCLSA-N 330.424 3.729 0 1 EHAF COc1ccc(Cn2cc(C(=O)N(C)CC3CC3)c3ncccc32)cc1 103248953 ULMDVMPWFRNGLJ-UHFFFAOYSA-N 349.434 3.575 0 1 EHAF Cc1cc(CCCOc2c(C)cc(-c3noc(S)n3)cc2C)on1 26492317 LUBFQCKESKBJRU-UHFFFAOYSA-N 345.424 3.950 0 1 EHAF CN1C(=O)[C@@H](NC(=O)c2ccc3ccccc3c2)CCc2ccccc21 29408054 CEDHUJLMRWOWGL-IBGZPJMESA-N 344.414 3.547 0 1 EHAF COc1cc(-c2csc3c2-n2cccc2C3=O)cc(OC)c1OC 26281449 DAONQCFQSAOAGK-UHFFFAOYSA-N 341.388 3.776 0 1 EHAF C[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@@H]1COC(=O)C1 2356456167 TUFKWTIZKAZNKT-QDKUENGFSA-N 332.440 3.646 0 1 EHAF C[C@]12CC[C@H]3[C@H]([C@H]1CCC2=O)C1(C[C@H]2CC(=O)CC[C@]32C)OCCO1 3849882 AESLIOMWUFZQOI-KOSZUTRVSA-N 346.467 3.520 0 1 EHAF biogenic COc1ccccc1CCNCc1coc(-c2ccc(F)cc2)n1 72180667 VWUCCNDNJYNRFD-UHFFFAOYSA-N 326.371 3.822 0 1 EHAF Cc1cc(Cl)cc2c(CN3CCCOCC3)c3c(C)n[nH]c3nc12 73164501 WNNSIEODSKVDRW-UHFFFAOYSA-N 344.846 3.604 0 1 EHAF C[C@H](Nc1ncc(F)c(N2C(=O)O[C@H](C)C2(C)C)n1)c1ccccc1 142097735 PEUIRDUDCOCYJB-NWDGAFQWSA-N 344.390 3.913 0 1 EHAF COc1cccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)c1 653725393 QPFDJTBNLSWMQQ-IBGZPJMESA-N 347.842 3.628 0 1 EHAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587928748 BYPZYUCNNLRWPO-YCRPNKLZSA-N 349.434 3.719 0 1 EHAF C[C@H]1C[C@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587833221 MLWKMTMYOUTEQR-FTGAXOIBSA-N 328.225 3.517 0 1 EHAF COC(=O)c1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587526227 OYCKPEZUWGSXCC-HXUWFJFHSA-N 339.391 3.561 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(C3CCCCC3)c1)O2 587392697 VWYWITMFSDBPPG-SFHVURJKSA-N 325.412 3.985 0 1 EHAF Cc1noc(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587273 NHXIFZYPFODGAQ-VQIMIIECSA-N 337.331 3.700 0 1 EHAF COc1cccc(-c2cc([C@H](N)NO)nc3c2oc2ccccc23)c1 587363126 QDAAKPJJJDJDLF-LJQANCHMSA-N 335.363 3.593 0 1 EHAF COC(=O)c1cc(Cl)c2nc(C(=O)CCc3ccccc3)[nH]c2c1 587953668 PMTKYJYAPMFKRM-UHFFFAOYSA-N 342.782 3.818 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2F)N1 587725160 BQPNUYDAEUNEEK-RMLUDKJBSA-N 339.183 3.746 0 1 EHAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 587963229 LVFJRRAGFBVBBX-SFYZADRCSA-N 325.181 3.622 0 1 EHAF CC(=O)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587377780 JSXDQCQBEHSYEY-GOSISDBHSA-N 329.783 3.680 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncs2)N1 587854636 RHLKEGVAHVUXCV-RMLUDKJBSA-N 341.249 3.842 0 1 EHAF O=C(CCCc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(Cl)cn1 587081903 XWPOBVFBTSKTBG-UHFFFAOYSA-N 343.770 3.546 0 1 EHAF O=C(N[C@@H](c1ccccc1)c1nc2cc(F)cnc2[nH]1)c1ccccc1 587217763 FPPODFQAXJETRF-KRWDZBQOSA-N 346.365 3.616 0 1 EHAF Cc1cccc(C2=C[C@H](c3ccc(Br)cc3)C(=O)NN2)c1 957579809 NIGFESIOGXZIAE-OAHLLOKOSA-N 343.224 3.517 0 1 EHAF Cc1ccnc2c1CCN[C@]2(C)c1cnc(Nc2ccccc2)s1 963078537 YBERYABIWVUJEC-LJQANCHMSA-N 336.464 3.999 0 1 EHAF CCCc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)s1 963511080 SWYKZFMHUWTMPU-KXBFYZLASA-N 345.464 3.577 0 1 EHAF COc1ccccc1OCCCc1c(O)oc2ccccc2c1=O 13738197 SVOQXPAYMCCLQV-UHFFFAOYSA-N 326.348 3.519 0 1 EHAF CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(Cl)cc1 169730685 YHJNZEZLDFZNKP-JKSUJKDBSA-N 345.782 3.726 0 1 EHAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CNC(=O)CP(=O)(O)O 1535668 CFWPYIZPIRYWGT-XGGJEREUSA-N 343.404 3.700 0 1 EHAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)Nc1cccc2cccnc12 117739173 ROZTXNKTKYHSJE-MRXNPFEDSA-N 332.407 3.956 0 1 EHAF COc1ccc2c(c1)C[C@H](CNC[C@H](O)c1cccc(Cl)c1)CC2 3797539 PYINOBOAVYEMER-VLIAUNLRSA-N 345.870 3.777 0 1 EHAF investigational O=C(O[C@H]1CN2CCC1CC2)C1(c2cccs2)CCCCCC1 103279958 IIGOBGCDNPRZDU-INIZCTEOSA-N 333.497 3.978 0 1 EHAF CCCCNC(=S)NCCc1coc2ccc3c(c12)CCCO3 103234073 YAZOKFZRXDLWFY-UHFFFAOYSA-N 332.469 3.565 0 1 EHAF O=C1[C@H]2CCCN2[C@H](c2cccc(F)c2)N1c1cccc(Cl)c1 58047099 DBECWDJCJBSIMI-SJORKVTESA-N 330.790 3.989 0 3 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ccncc2)/C1=C(\O)OCC(C)C 27558734 WCFWXTNVGBMRRO-PWVLXBNSSA-N 331.372 3.590 0 1 EHAF O=C1c2ccc(O)cc2[C@@]23CCCC[C@@H]2[C@@H]1N(CC1CCC1)CC3 29557219 OOATVKPPMTVMQN-SLYNCCJLSA-N 325.452 3.891 0 1 EHAF O=C(C1=C(c2ccc(Cl)c(Cl)c2)CCC1)N1CCOCC1 28957270 OXDQCMPUWXORTN-UHFFFAOYSA-N 326.223 3.790 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)C[C@@H]5O[C@H](C[C@]12C)[C@@H]3[C@@]54C 29123344 OQORSKKNPQZFPN-RHPIZAHHSA-N 332.484 3.582 0 1 EHAF CCCCC[C@H](O)C=C[C@H]1[C@@H]2CC=CCCCC(=O)O[C@@H]2C[C@H]1O 2356623659 ZVWMOTMHZYWJPF-LTFXXXRZSA-N 336.472 3.523 0 1 EHAF CNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2 34602350 JKTDENLYWZBCRY-SFHVURJKSA-N 349.434 3.616 0 1 EHAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12 226064002 JCWDLMMDEICJNN-LBPRGKRZSA-N 325.387 3.845 0 1 EHAF Cc1[nH]c(C(=O)NC2CC2)c(C)c1Cc1ccc(C(F)(F)F)nc1 1911581600 MPFACFTUZVDOPO-UHFFFAOYSA-N 337.345 3.528 0 1 EHAF N=C(N)c1ccc2cc(CCc3ccc4c(c3)CCNC4)ccc2c1 42923340 NJTXCNHWWQUXDR-UHFFFAOYSA-N 329.447 3.555 0 1 EHAF CCc1cccc2nc3c(c([Si](C)(C)C)c12)Cn1c-3cccc1=O 195444644 YWMIXGFRIQPZMT-UHFFFAOYSA-N 334.495 3.533 0 1 EHAF Cc1cc(C)n2c(Nc3ccc4c(c3)OCCO4)c(C(C)C)nc2n1 95567230 PUXVMRWIFFYUGA-UHFFFAOYSA-N 338.411 3.984 0 3 EHAF C/C=C(/C)C(=O)OC/C(=C/C)C(=O)OC/C=C/c1ccc(OC)cc1 141529959 KRXLVSZOLMEYHF-SUOLFYLESA-N 344.407 3.707 0 1 EHAF O=C(N[C@@H]1CN2CCC1CC2)c1ccc(Sc2ccccc2)cc1 96173843 MXGCJHXETKTHTH-LJQANCHMSA-N 338.476 3.662 0 1 EHAF CCN(C)C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144694569 ZNHXQHGYXCIWNK-QGZVFWFLSA-N 335.325 3.557 0 1 EHAF C[C@H]1[C@H]2C[C@H](OC(=O)NCc3ccccc3)[C@@H](C2)[C@H]2CCCCN12 263590677 HPFZLWXUQMLUGQ-YYTXDEJISA-N 328.456 3.564 0 3 EHAF CC[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C(=O)c1nc2ccccc2o1 299887139 YIPXRUISNFPJLA-XQLPTFJDSA-N 340.423 3.732 0 1 EHAF Cc1cc(COc2c(F)cc(F)cc2F)nc(-c2ccccn2)n1 653808112 MKJABOYCOGZYEF-UHFFFAOYSA-N 331.297 3.843 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C(C)=O)cc2[nH]1 586917029 QUVHWTUSQWRVLD-KKSFZXQISA-N 348.402 3.982 0 1 EHAF C[C@H]1CCC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587823639 QKTVBQNLHLTDFB-YNHOBRIKSA-N 340.236 3.707 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@]2(C)CCCO2)N1 587835098 UXDGKFSIEMUCNS-VFVAKGGASA-N 342.252 3.907 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(O)c(OC)c1)CC2=O 587466387 NNPNYKHNURQXPD-MRXNPFEDSA-N 346.354 3.905 0 1 EHAF Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587852670 MRQDSXZIILBVOK-UOWDBTKRSA-N 341.249 3.977 0 1 EHAF O=Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587616692 LZRWYEWOGMHFDS-VQIMIIECSA-N 336.299 3.501 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(C)CC2)N1 587766183 GAKBPXAVQFPZAZ-MGPLVRAMSA-N 341.268 3.505 0 1 EHAF Cc1oncc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799529 ZUPCAGGJPZEKGG-AYVTZFPOSA-N 339.208 3.682 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(C(C)C)nn(C)c1Cl)[C@@H](C2)C3=O 587424134 XGWMNXQKRCHHIR-APPDUMDISA-N 346.814 3.694 0 1 EHAF NC(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023232 GCFXFTZXBNQEOM-UHFFFAOYSA-N 326.406 3.514 0 1 EHAF COc1ccc2c(c1)C[C@@H](c1nc3cnc(C(F)(F)F)[nH]c-3n1)CC2 587937879 OPUUYHSCTKVFAM-JTQLQIEISA-N 348.328 3.604 0 1 EHAF COc1cncc2nc(-c3cc(F)c(C)cc3Br)[nH]c12 587137640 DEPUGFQJGVEMTR-UHFFFAOYSA-N 336.164 3.844 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCSC2 587618669 PNRTWJIMDXKAIU-CRAIPNDOSA-N 328.389 3.620 0 1 EHAF Sc1nc(S)c2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2n1 587967602 OURXKLBZYHUKLO-UHFFFAOYSA-N 330.482 3.770 0 1 EHAF O=C(c1ccccn1)c1c(-c2ccccn2)[nH]c2c(C(=O)O)cccc12 587639235 PSWURUULSXJSAU-UHFFFAOYSA-N 343.342 3.554 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(CSc1ccccc1)[C@@H](C2)C3=O 587447707 DENYRAWNAUCQMQ-KXBFYZLASA-N 326.417 3.994 0 1 EHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C)c(Cl)cc2[nH]1 587231485 OVUIYCFYZYIAOL-STQMWFEESA-N 349.862 3.561 0 1 EHAF Cc1ccc(NC(=O)CSCCc2nc3ccc(F)cc3[nH]2)cc1 586971544 YZGUVKZLUOQUSU-UHFFFAOYSA-N 343.427 3.925 0 1 EHAF O=C(CCc1ccccc1)c1nc2c(Br)cncc2[nH]1 587953612 NLQYOEVARUBLSH-UHFFFAOYSA-N 330.185 3.536 0 1 EHAF CC(C)(O)CCc1c(O)ccc2c1O[C@@H](c1ccc(O)cc1)CC2=O 15115078 RFBOXBGSYTWSBN-GOSISDBHSA-N 342.391 3.508 0 1 EHAF biogenic,in-vitro CCc1ccc(-n2nnc(-c3nc(-c4ccccc4)no3)c2C)cc1 7006547 KDCPNYBCRCBRDF-UHFFFAOYSA-N 331.379 3.855 0 1 EHAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@]1(C)[C@H](C)CC[C@H](O)[C@@H]1C2=O 13322592 GSJCLFPVFIAKQC-MAUOSDCHSA-N 348.439 3.828 0 1 EHAF biogenic COc1ccc(C[C@H](C)[C@@H](C)Cc2cc(OC)c(O)cc2O)cc1O 28393916 ZOOFDRPDTGLOSE-STQMWFEESA-N 346.423 3.878 0 1 EHAF biogenic Clc1ccc(COc2ccc3c(c2)-c2nncn2CCO3)cc1 53276427 YFCSNERLAMUEHI-UHFFFAOYSA-N 327.771 3.570 0 1 EHAF CC(=O)Nc1cccc(-c2ccc([C@](O)(c3c[nH]cn3)C(C)C)cc2)c1 59972441 DDQPLMGLQXMKLK-NRFANRHFSA-N 349.434 3.927 0 1 EHAF Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2c1 95577100 XMPIBGQRSIGLJS-UHFFFAOYSA-N 331.423 3.532 0 1 EHAF CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1ccc(F)cc1 103669569 NZMFEFQTZLONRL-AWEZNQCLSA-N 330.388 3.558 0 1 EHAF C[C@@H](CCO)CC[C@H]1[C@](C)(O)[C@@H](O)C[C@H]2C(C)(C)CCC[C@@]21C 238760723 YWSZCVUCKUUBBI-XNKWGQMISA-N 326.521 3.750 0 1 EHAF Fc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1F 586967425 WTXPEDTZVARSPU-UHFFFAOYSA-N 345.334 3.578 0 1 EHAF FC(F)COc1cccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)n1 587123972 LWGDOIMFGCNNSV-UHFFFAOYSA-N 344.243 3.683 0 1 EHAF COC(=O)c1cc2[nH]c(/C=C\c3ccc(F)cc3F)nc2cc1OC 587151612 SXIHQFXBPOZZTO-XQRVVYSFSA-N 344.317 3.807 0 1 EHAF COCc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587401027 ULCCPJAHUPHIPL-HXUWFJFHSA-N 341.407 3.613 0 1 EHAF COc1ccc(C[C@H](C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587403254 LLIHEUQNTQYSNU-DJJJIMSYSA-N 325.408 3.798 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC)(c1c(C)nn(C)c1C)CC2=O 587475274 KZPAZXRQLCDYJU-FQEVSTJZSA-N 342.439 3.966 0 1 EHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 587784260 GOAWOZCUJGWAMZ-NEPJUHHUSA-N 327.771 3.555 0 1 EHAF COc1ccc(/C=C\Cc2nc3cccc(C(=O)O)c3[nH]2)c(OC)c1 587929270 LURNXHKEAMQVEY-HYXAFXHYSA-N 338.363 3.534 0 1 EHAF COc1cccc(C(=O)c2ccc(-c3nc4ncccc4[nH]3)cc2)c1 587932482 UPSUJBTXGFGHTQ-UHFFFAOYSA-N 329.359 3.865 0 1 EHAF COc1ccccc1C[C@]1(C)NCCc2cnc3c(OC)cccc3c21 963044796 CXYAAYPLOYMQOS-QFIPXVFZSA-N 348.446 3.856 0 1 EHAF OC1CCN(Cc2c(-c3ccccc3)[nH]c3ccnc(Cl)c23)CC1 1772625366 LGLBZYAJXHDFCB-UHFFFAOYSA-N 341.842 3.840 0 1 EHAF COc1ccc2ccc(=O)oc2c1C/C=C(\C)COC(=O)CC(C)C 1857632877 UAMFJPWONGDZLS-LHHJGKSTSA-N 344.407 3.880 0 1 EHAF CCc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)no1 11934290 QRABBZQNRIHBOV-ZDUSSCGKSA-N 346.814 3.626 0 3 EHAF CCN(C(=O)[C@@H](C)[C@@H](O)c1ccc(C(C)=O)cc1)c1ccccc1 203466963 CHGPUHYZLHZQQH-IFXJQAMLSA-N 325.408 3.612 0 3 EHAF Cc1ccc2nc(CO[C@H]3CN(C4CCCCC4)C[C@@H]3F)[nH]c2c1 2356299830 OUGXUNDKYIDABE-YJBOKZPZSA-N 331.435 3.743 0 1 EHAF CC(=O)C(=O)N(c1ccc2ccccc2c1)c1ccccc1C(=O)O 103211262 MZKPWHMNWBPPFN-UHFFFAOYSA-N 333.343 3.792 0 1 EHAF CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 27885835 RYPGWIHJWQTGNZ-OJAHFUOMSA-N 338.488 3.807 0 1 EHAF C=CC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1N(C)C 28237138 SIFRJQAZOAXSIF-HUUCEWRRSA-N 327.255 3.995 0 1 EHAF CC(C)=CCC(=O)[C@@H](C)CCC[C@@]1(C)OC/C(=C/CO)CC[C@@H]1O 27425709 XRDHAXIOHKTIGF-CROWOQKBSA-N 338.488 3.567 0 1 EHAF C[C@@H](O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118921407 FOTMUZAAVBPQAN-MDPVARJRSA-N 336.516 3.502 0 1 EHAF CC(=CCC[C@]1(C)c2c(c3c(C)cc(O)cc3oc2=O)O[C@H]1C)CO 2356640806 RLMJKQCFPTZLDT-RBZFPXEDSA-N 344.407 3.564 0 1 EHAF CN(C)CCCNc1nc2cc(O)ccc2c2c1C(=O)c1ccccc1-2 27847947 KLGVMWBWHQUYJL-UHFFFAOYSA-N 347.418 3.515 0 1 EHAF CC(=O)CSc1nnc2c3ccccc3nc(Cc3ccccc3)n12 39982157 UUZNGTBFJBCEQC-UHFFFAOYSA-N 348.431 3.549 0 1 EHAF CCOC(=O)c1oc2c(Br)c(OC)cc(OC)c2c1C 96933642 BHKWGVZRHLMIPB-UHFFFAOYSA-N 343.173 3.698 0 1 EHAF COc1ccc2c(c1)CCN1CC[C@](O)(c3ccc(Cl)cc3)C[C@H]21 95592122 BZGKXGFGDBPNAC-WOJBJXKFSA-N 343.854 3.929 0 1 EHAF OC1(c2nc3c(F)cnc(Cl)c3[nH]2)CCC(C(F)(F)F)CC1 587125330 DLJQNXAZXDTYIB-UHFFFAOYSA-N 337.704 3.691 0 1 EHAF Nc1ccc(-c2ccc3nc(-c4cccc(CO)c4)[nH]c3c2)cc1N 586894842 FIDWJHKWLBIKGR-UHFFFAOYSA-N 330.391 3.554 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c(N)ccnc1Cl)CC2=O 587460833 KHUSIJPKEDFSDZ-CQSZACIVSA-N 332.787 3.682 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(=O)O)c1)CC2=O 587491948 XQVQNFZBQAFHIJ-KRWDZBQOSA-N 326.348 3.749 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(OCC)s1)CC2=O 587496834 VFXQNDUNWQNWRT-AWEZNQCLSA-N 333.409 3.906 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnsc1 587617558 KGDWVNHIMUOHHS-WMLDXEAASA-N 325.345 3.552 0 1 EHAF CCc1cc2c(O)nc(O)nc2nc1-c1cccc(C(F)(F)F)c1 587367918 AJRZBANOKDCINN-UHFFFAOYSA-N 335.285 3.684 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Cl)=COc2cc(O)ccc21 587380088 AFLCRICRLWOABA-SFHVURJKSA-N 343.766 3.616 0 1 EHAF Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)CC4)-c1ccccc1C2=O 587100556 CWGDHMYXUSZKME-GFCCVEGCSA-N 343.382 3.944 0 1 EHAF O=C(CCc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(F)cc1 587162087 HHPBNBRHLNHZPJ-UHFFFAOYSA-N 337.276 3.931 0 1 EHAF Cc1c(-c2nc3cnc(Br)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905538 SVMSWCOBCFDWQR-JTQLQIEISA-N 348.200 3.659 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(C=C(OCC(C)C)CCC1)[C@@H](C2)C3=O 587444500 ZOOZCZXAUDIKCU-JXFKEZNVSA-N 328.408 3.922 0 1 EHAF Cc1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cc1Cl 587224773 JUZNSYCCSOUUGG-GFCCVEGCSA-N 343.814 3.608 0 1 EHAF N[C@H](c1ccsc1)c1nc2ccc(Br)c(F)c2[nH]1 587026521 YZAYDDCUWLETCW-SNVBAGLBSA-N 326.194 3.574 0 1 EHAF CC(=O)Nc1ccsc1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963110444 MXYLNRGKGUBRHF-SUMWQHHRSA-N 330.428 3.956 0 1 EHAF CC(C)COc1ccc([C@H]2NCCc3c(C(=O)O)cccc32)cc1 963128060 ZMNUZUJXMCJHKO-LJQANCHMSA-N 325.408 3.655 0 1 EHAF COc1ccc(/C=C/c2cc(OC)c(OC)cc2OC)c(OC)c1 1544779 ANFYUMALROLFEQ-VOTSOKGWSA-N 330.380 3.900 0 1 EHAF Cc1n[nH]cc1-c1nc(N[C@H](C)c2ccccc2)c2ccncc2n1 1857578421 OLESVIISSSWSSI-GFCCVEGCSA-N 330.395 3.896 0 1 EHAF c1ccc(CN2CCN(c3nc4ccsc4n4cccc34)CC2)cc1 52968850 QYWDOJXSLBBWLE-UHFFFAOYSA-N 348.475 3.871 0 1 EHAF CCCCCN1C(=O)[C@]2(COc3cc(OC)ccc32)c2ccccc21 103191004 JEILWWWNOFYNRQ-OAQYLSRUSA-N 337.419 3.911 0 1 EHAF CCC(=O)N1[C@H]2CC[C@H]1[C@@H]1CC[C@@H]2N1C/C=C/c1cccc(Cl)c1 100854361 SQOZVRAOJBSOCO-ZJDNZCPTSA-N 344.886 3.969 0 1 EHAF CC=C(C)C(=O)O[C@]12Cc3occ(C)c3C[C@]1(C)[C@H](C)C[C@H](O)C2 2356378155 YAVCGZXBKFFNQX-HRYATBACSA-N 332.440 3.732 0 1 EHAF O=C(Nc1ccc(F)c(-c2nc3ncccc3o2)c1)c1cccnc1 103259362 LQFPDUBEFPQDPN-UHFFFAOYSA-N 334.310 3.676 0 1 EHAF CC[C@]1(C(=O)N[C@H](C)COc2ccccc2)[C@H](C)C1(Cl)Cl 29341339 IHMYHDMFLZNJLA-TYNCELHUSA-N 330.255 3.790 0 1 EHAF OCc1c(CO)c(-c2ccc(Cl)cc2)n2c1Cc1ccccc1C2 66258928 LPXDODBVOVEYLQ-UHFFFAOYSA-N 339.822 3.746 0 1 EHAF COc1cc(-c2nc(CN3CCCC[C@@H]3C)co2)cc(OC)c1OC 72102521 VUJKBHATOVIGQY-ZDUSSCGKSA-N 346.427 3.742 0 1 EHAF O=C(Nc1cc(Cl)ccc1-c1ccc(F)cc1)NC1(C(=O)O)CC1 218414994 GVYODSAQRBLPBQ-UHFFFAOYSA-N 348.761 3.885 0 1 EHAF CC(C)C(=O)CC[C@H](C)[C@H]1CC[C@@H](CO)c2c(O)cc(C(=O)O)cc21 15116891 PDZOLODXNDMEHY-KCQAQPDRSA-N 348.439 3.685 0 1 EHAF biogenic COC(=O)C(=O)[C@@H]1c2ccccc2N2C=Cc3c([nH]c4ccccc34)[C@@H]12 82047417 WXVOLCRPHBGZEC-IEBWSBKVSA-N 344.370 3.539 0 1 EHAF CN(C)C(=O)Oc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144761224 RKUAZVXLUBTLNT-INIZCTEOSA-N 337.297 3.526 0 1 EHAF O=C(Nc1ccccc1Br)c1ccc2cccc(O)c2n1 474602164 ANMMAAJJKPBKJJ-UHFFFAOYSA-N 343.180 3.955 0 1 EHAF O=Cc1ccc(OCc2occc2-c2nc3cc(F)cnc3[nH]2)cc1 586901470 URILPNZHKUJIBF-UHFFFAOYSA-N 337.310 3.749 0 1 EHAF C/C(=C/[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C 587412527 IRRRDDHALIBKKI-QTJNJRLBSA-N 342.464 3.965 0 1 EHAF N[C@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F 587156722 PHXVTKMFETZXJR-ANRSDYALSA-N 337.185 3.745 0 1 EHAF COc1cc2c3c(c1)O[C@@](c1cccc(C=O)c1)(C1CCC1)[C@@H](C2)C3=O 587445903 PNAUSGMPJUBPGS-PGRDOPGGSA-N 348.398 3.951 0 1 EHAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(CCO)cc2[nH]1 587936132 ZIZOWWZEHDWLFM-UHFFFAOYSA-N 334.419 3.679 0 1 EHAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C)c(C)c2[nH]1)C(C)C 586933152 NCBRSJIEZPQKTE-OAHLLOKOSA-N 337.489 3.596 0 1 EHAF CN1[C@H]2CCC[C@@H]1C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518725 OFYVOTYMVDCVFV-JIPZTSHUSA-N 325.452 3.916 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](COc1ccc(OC)cc1)CC2=O 587477042 DKUVYANYJLIFRW-HNNXBMFYSA-N 342.391 3.766 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3nc(O)ccc31)O2 587394908 LHNDXSKAFZUORS-FQEVSTJZSA-N 338.407 3.511 0 1 EHAF Oc1c(F)cc(F)cc1-c1nc2c(F)cnc(Br)c2[nH]1 587133831 CAFFYKQLBQZUAA-UHFFFAOYSA-N 344.090 3.510 0 1 EHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)NC1CC1 587860404 TTYYGKJVTGNZDL-UHFFFAOYSA-N 340.210 3.976 0 1 EHAF O=C1c2ccccc2-c2cc(-c3ccc4nnnn4c3)nc3cccc1c23 587107288 QPIMFWYTYHWNAF-UHFFFAOYSA-N 349.353 3.551 0 1 EHAF NC(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073143 CVEDVJMWXWQBQQ-UHFFFAOYSA-N 325.799 3.590 0 1 EHAF Cc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1Cl 587650634 AQEPDCVUXWCEIW-UHFFFAOYSA-N 333.174 3.700 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)n2)N1 587738293 MMMNNETWPSNMMZ-AYVTZFPOSA-N 339.183 3.746 0 1 EHAF Nc1ncnc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc12 587163819 LGZRQOGEOBWYLM-XYOKQWHBSA-N 337.383 3.725 0 1 EHAF COc1cccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12 587149681 PPCCIONKRDGTHP-UHFFFAOYSA-N 340.333 3.917 0 1 EHAF COC(=O)c1ccc(C[C@@]2(C)NCCc3c2sc(C)c3C)cc1 963009316 LGANVZAPWWQINQ-LJQANCHMSA-N 329.465 3.755 0 1 EHAF c1ccc(COc2nn3c(C4CC4)nnc3c3c2C2CCC3CC2)nc1 13610221 CBAXLHGEEASOPH-UHFFFAOYSA-N 347.422 3.731 0 1 EHAF NC(=S)c1cccc(-c2cn(-c3ccc[nH]3)c3cc(CO)ccc23)c1 1857590871 WBJPHZDGLFUUOQ-UHFFFAOYSA-N 347.443 3.752 0 1 EHAF O=C(O)C[C@H]1COc2cc(OCCCOc3ccccc3F)ccc21 1857655808 YIVYXJDRUIQGQS-ZDUSSCGKSA-N 346.354 3.624 0 1 EHAF CCC(=O)Nc1cccc(S(=O)(=O)Oc2ccccc2C(C)C)c1 1857764749 QZLASGHSFLXOTO-UHFFFAOYSA-N 347.436 3.926 0 1 EHAF COc1ccc(-c2ncnn2-c2ccc(Br)cc2F)cc1 182355 GBKPHUVIERBTRD-UHFFFAOYSA-N 348.175 3.845 0 1 EHAF Cc1ccccc1N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 2907979 ZYOMAYKYHBBZOY-OALUTQOASA-N 344.480 3.697 0 1 EHAF Cc1ccc2onc(CNC(=O)N[C@H](C)CCc3ccccc3)c2c1 9117004 NAPXAXZZXOELPQ-OAHLLOKOSA-N 337.423 3.957 0 1 EHAF CC1=CCC[C@](C)(O)[C@H](O)CCC(C)=C[C@@]2(C)OC(=O)C(C)=C2CC1 2356586870 QROGSFBTQTXFEX-HLAWJBBLSA-N 348.483 3.977 0 1 EHAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)O[C@H]1c1ccccc1 40873195 XAAZRSIWQRAQIQ-FQEVSTJZSA-N 331.375 3.716 0 1 EHAF CCCC[C@@H](CC)C[C@](O)(/C=C(/CC)[C@@H](O)CC(=O)OC)CC 95590641 PVKQNBZAJBAVBB-WPINXGIKSA-N 328.493 3.994 0 1 EHAF CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1c(Cl)cccc1Cl 621475069 XUVYMJPCHXWESO-ZGSOTFDTSA-N 331.224 3.800 0 1 EHAF COc1nn2cc(-c3nc4cc(C(C)(C)C)ccc4o3)nc2s1 653753149 HWYZRSHNWNSZOF-UHFFFAOYSA-N 328.397 3.905 0 1 EHAF C[C@H]1C(=O)CC[C@H]1Cc1nc2c(Cl)c(Br)cnc2[nH]1 587963972 WYEHACACHCAQRR-RQJHMYQMSA-N 342.624 3.532 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](COc1cccc(OC)c1)CC2=O 587478309 IVSIIRCGMDPYEO-HNNXBMFYSA-N 342.391 3.766 0 1 EHAF Cc1nc2[nH]c(C3(c4ccc(O)cc4)CC3)nc2cc1Br 586896018 FYQUDNCTENPNFA-UHFFFAOYSA-N 344.212 3.814 0 1 EHAF Clc1cccnc1-c1nc(-c2nc3c(Cl)ncnc3[nH]2)cs1 587016739 BOYQNYGDXYWVOZ-UHFFFAOYSA-N 349.206 3.845 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](COC)(Cc1ccccc1)CC2=O 587485973 XRZVNYVHPFUDFE-NRFANRHFSA-N 340.419 3.938 0 1 EHAF NS(=O)(=O)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587967658 IEHPCMSCNNMZDX-DHZHZOJOSA-N 349.415 3.534 0 1 EHAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(O)cc2[nH]1 587200867 AWWQLTDWUSIUMN-UHFFFAOYSA-N 333.432 3.849 0 1 EHAF COc1cc2c3c(c1)O[C@@](C(C)=O)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587417673 FAIFQHVQIHWAIY-KXBFYZLASA-N 342.778 3.581 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSC 587866319 JRBSUQSIZCZQAH-UHFFFAOYSA-N 344.358 3.971 0 1 EHAF COCCC1([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCCCC1 587442638 RNCNCYRGBPUCEV-BEFAXECRSA-N 330.424 3.798 0 1 EHAF O=Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587601171 FLMZVSSJSDMZQG-WIYYLYMNSA-N 346.338 3.908 0 1 EHAF CCc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)cc1Br 586978249 YERMNSVINAHMIE-UHFFFAOYSA-N 337.608 3.950 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccnc1)O2 587394619 JCOGDQYDFYZUSS-NRFANRHFSA-N 330.387 3.881 0 1 EHAF CCOC1CC([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 587812115 PSFSTGMLKKHYME-FUDDIYPUSA-N 342.252 3.979 0 1 EHAF Fc1cccc2c1[C@@H](c1cnnn1Cc1ccccc1)N1CCC[C@H]1C2 963094025 KZTHNIAVCMJXLI-LAUBAEHRSA-N 348.425 3.575 0 1 EHAF CSC[C@@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962950120 DPGJCWFVZOVSKF-OAHLLOKOSA-N 345.430 3.935 0 1 EHAF Cc1cc(C)cc(CN2C(=O)O[C@H](Cc3c[nH]c4ccccc34)C2=O)c1 13740657 CWKCHSOULBLCED-LJQANCHMSA-N 348.402 3.875 0 1 EHAF c1ccc2c(c1)C[C@H]1c3cc(CC4CCNCC4)sc3CCN1C2 1857631014 KEPCDSWIJBRMCX-FQEVSTJZSA-N 338.520 3.946 0 1 EHAF Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCC5)C[C@@H]3N4)cc2)c1 100099960 JVXXYBACKIVXAC-ZBYYUNFXSA-N 346.474 3.728 0 1 EHAF C=CC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1N(C)C 28237142 SIFRJQAZOAXSIF-LSDHHAIUSA-N 327.255 3.995 0 1 EHAF Clc1ccc(N2C[C@H]3C[C@H]2CN3Cc2c[nH]c3ncccc23)cc1 101229925 YOODWDNGWLMMGG-SJORKVTESA-N 338.842 3.679 0 1 EHAF CN1c2ccccc2C(=O)NN(c2ccccc2)[C@@H]1c1ccccc1 103189600 ORNGYUUCGAIWLI-OAQYLSRUSA-N 329.403 3.987 0 1 EHAF CCCCNC(=O)[C@H](c1ccccc1)N1C(=O)C[C@@H]1c1ccccc1 28524700 IWQRUGAZWGKBCY-QUCCMNQESA-N 336.435 3.618 0 1 EHAF C=CC1=C([C@@H](C)c2cccc3c2COC3=O)[C@@H](c2ccoc2)OC1=O 14690294 SOQMKYUDTQPTRT-BBATYDOGSA-N 336.343 3.834 0 1 EHAF biogenic Nc1ncc(-c2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)[nH]1 49046337 JTBUSRYDQDMXFG-UHFFFAOYSA-N 336.439 3.814 0 1 EHAF CCCN(CC1CC1)c1cc(Oc2cccc(NC(C)=O)c2)ncn1 82067730 UOUWHXFBWOWRTH-UHFFFAOYSA-N 340.427 3.854 0 1 EHAF COc1cc2nc(SCCc3ccccc3)nc(N)c2cc1OC 45318838 SHDJVCKKSHMHIV-UHFFFAOYSA-N 341.436 3.564 0 1 EHAF CCc1cccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1 49110664 QLTCWWAGNSYHAR-UHFFFAOYSA-N 345.346 3.649 0 1 EHAF COc1ccc(Cn2cncc2-c2cc(-c3ccco3)ncn2)cc1 49803151 UIERTOVFWPTBDJ-UHFFFAOYSA-N 332.363 3.657 0 1 EHAF CCCCN(C)C[C@@H]1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21 299811818 MXBHOYJSMARWFE-ZYNAIFEFSA-N 335.488 3.554 0 1 EHAF CN1c2ccccc2C(=O)N2CCCc3c(oc4ccc(O)cc34)[C@H]21 473087660 GIERLPAMABRBOP-IBGZPJMESA-N 334.375 3.675 0 1 EHAF Cc1cc(-c2cncs2)cc2c(NC3CCOCC3)cc(O)nc12 299852299 QACJQHGIQZKMAR-UHFFFAOYSA-N 341.436 3.963 0 1 EHAF CCOC1CC([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587603080 ZUYLXMBEWMJMNO-GQXZSCDASA-N 340.375 3.538 0 1 EHAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2c(Cl)c(Br)cnc2[nH]1 587963969 WYEHACACHCAQRR-BQBZGAKWSA-N 342.624 3.532 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)cn1)[C@@H](C2)C3=O 587423675 UTTIDSJBPJZZRM-YVEFUNNKSA-N 349.308 3.772 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(O)cc1O)CC2=O 587488988 LUPQIGPXDFPSLX-QGZVFWFLSA-N 328.364 3.771 0 1 EHAF Clc1ccc(C2=C[C@H](c3nc4ccc(Cl)nc4[nH]3)ON2)cc1 587076937 POQJBHMHHQRKGL-GFCCVEGCSA-N 333.178 3.882 0 1 EHAF O=Cc1cc(Br)cc(-c2nc3ccnc(Cl)c3[nH]2)c1 586981417 BTSMMICWNFYFEP-UHFFFAOYSA-N 336.576 3.853 0 1 EHAF O=C(O)c1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1F 586896043 HGYWXLULCXZGKE-UHFFFAOYSA-N 328.343 3.671 0 1 EHAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)s1 587014060 GVGLJZCTVZMZRH-QMMMGPOBSA-N 343.412 3.674 0 1 EHAF Cc1scnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587856749 XQCFIIICTQPMGO-WJWGPLDTSA-N 341.249 3.977 0 1 EHAF O=[S@](Cc1nc2cccnc2[nH]1)C(c1ccccc1)c1ccccc1 586958199 FCMXCBAZWLTNGG-RUZDIDTESA-N 347.443 3.996 0 1 EHAF Cc1c(Br)ccc2[nH]c(-c3cccnc3N(C)C)nc12 587196535 ZXIOCRHADPAUHM-UHFFFAOYSA-N 331.217 3.762 0 1 EHAF Nc1ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n[nH]c2c1 587528298 YTRVSNKCWKVSME-SFHVURJKSA-N 333.391 3.730 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CO)cc1 587610060 PJAWJSJOTRWHJU-WIYYLYMNSA-N 348.354 3.587 0 1 EHAF Cn1ccnc1[C@@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587510415 ALXQSBXAIJKXTA-NRFANRHFSA-N 348.402 3.801 0 1 EHAF Cc1ccnc2c1CCN[C@]2(c1ccccn1)c1cc2ccccc2o1 963071416 RSTIJHCPGPNBOE-JOCHJYFZSA-N 341.414 3.969 0 1 EHAF CCOC(=O)[C@@H]1[C@@H](C)CC[C@]12NCCc1c(Cl)cc(Cl)cc12 963102656 DNSXJXGGBCLFCW-GLZQIGESSA-N 342.266 3.944 0 1 EHAF Cc1cccc([C@]2(c3ncccc3C)NCCc3c(C)ccnc32)c1 963072440 RYHURRQZHMFWKR-JOCHJYFZSA-N 329.447 3.839 0 1 EHAF O=C(Nc1cc(-c2ccc(O)cc2)cc2[nH]ncc12)c1ccccn1 113874343 OVFDOYSALNWSNU-UHFFFAOYSA-N 330.347 3.583 0 1 EHAF CCN(CC)CCNc1ncc(C)c2c1c1cc(OC)ccc1n2C 5139322 XCCZOIBCJRILRT-UHFFFAOYSA-N 340.471 3.797 0 1 EHAF Cc1[nH]c(=O)c(NCc2nc3c(Cl)ccc(Cl)c3o2)c2c1C2 5891657 IVDDWHSTTJNOFH-UHFFFAOYSA-N 336.178 3.648 0 1 EHAF CCCCCC[C@H]([C@H](C)O)n1cnc(C(=O)NCc2ccccc2)c1 13821028 CFWDVWNYKYWZEX-QFBILLFUSA-N 343.471 3.705 0 1 EHAF O=c1[nH]c(O)c(Cc2ccc(Oc3ccc(Cl)cn3)cc2)s1 169722706 DLHXRFVKPAZJFW-UHFFFAOYSA-N 334.784 3.574 0 1 EHAF Cc1cc(N)nc(CCc2cc(F)cc(CC[C@H]3CCCN3)c2)c1 1857605442 PTOVOAJZRWYLQM-GOSISDBHSA-N 327.447 3.581 0 1 EHAF O=C(O)C[C@@H](NC(=O)c1c(Cl)cccc1Cl)c1ccccc1 314907063 KVJKFGONBUUATD-CYBMUJFWSA-N 338.190 3.939 0 1 EHAF Cc1cccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)n1 429731 IETLPZNRQKKSGM-UHFFFAOYSA-N 349.415 3.709 0 1 EHAF N=c1oc2c(Cl)cc(Cl)cc2cc1C(=O)Nc1ccccn1 4639034 ZPOOWQUXNFTLAN-UHFFFAOYSA-N 334.162 3.866 0 1 EHAF CCOC(=O)[C@H]1Nc2ccc(Cl)cc2[C@H]2c3ccccc3O[C@@H]12 5810599 WEXSPHCAMRHHNV-IXDOHACOSA-N 329.783 3.590 0 1 EHAF O=C(NCc1ccc(F)cc1)c1nccn1Cc1ccc(Cl)cc1 9859925 WROKOYDXKBOKST-UHFFFAOYSA-N 343.789 3.654 0 1 EHAF Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCCC4)C1=O 13834029 MZDTWMVPTDBLAX-MRXNPFEDSA-N 333.435 3.928 0 1 EHAF Cc1ccc(-c2ccc([C@H](C)[C@H](N)C(=O)N3CC[C@H](F)C3)cc2)cc1 14948217 VALWIJVEGRVUFF-YSSFQJQWSA-N 340.442 3.663 0 1 EHAF CC(C)(C)c1cc(Br)c2c(c1)C(=O)[C@H](n1ccnc1)CO2 27329984 FORIFJIHUHJWDU-CYBMUJFWSA-N 349.228 3.760 0 1 EHAF CCC(=O)N(c1cccc(C(F)(F)F)c1)[C@H]1CCC[C@H]1N(C)C 28240707 JJRZMZGAQAOCDL-CABCVRRESA-N 328.378 3.931 0 1 EHAF COC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29407118 IVJOAORQVUYFDW-VEZGGSFCSA-N 347.499 3.639 0 1 EHAF CC(=O)c1cccc(-c2cnc3ccc(-c4cccc(O)c4)nn23)c1 74385872 UOHHHFLDKLSECG-UHFFFAOYSA-N 329.359 3.972 0 1 EHAF CCN(C)C(=O)C1=NC=C(C2=C(c3ccc(F)c(Cl)c3)CN=N2)C1 87612959 QVONZJCKVUGRCO-UHFFFAOYSA-N 346.793 3.863 0 1 EHAF COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C[C@@H]1c1ccccc1 95585232 XCSGPHVNPMIYMN-LJQANCHMSA-N 335.403 3.865 0 1 EHAF CN(C)C1CN([C@@H]2c3ccccc3COc3ccc(Cl)cc32)C1 95856769 KEUZWXJHMSDYJE-LJQANCHMSA-N 328.843 3.568 0 1 EHAF C[C@@H]1CCCc2c1nc1nc(=O)[nH]c(N)c1c2-c1ccc(Cl)cc1 96906374 PBGKHYLSOWRTLS-SECBINFHSA-N 340.814 3.661 0 1 EHAF O=C1CS[C@@H](c2ccccc2)N1CC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 100290269 CRUUIYIDIZATLS-YNFYMWEFSA-N 343.492 3.592 0 1 EHAF Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1 166972457 PTSYUODRFFXLHS-CSKARUKUSA-N 340.386 3.942 0 1 EHAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCCC(F)(F)C4)c23)c1 224886707 VIRVQRWTXFSQOS-UHFFFAOYSA-N 339.349 3.732 0 1 EHAF O=C(O)c1ccccc1/C=C\c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586880814 SOHXJOYDFBSATC-SREVYHEPSA-N 348.337 3.756 0 1 EHAF CSc1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586924258 NJBZFMLJRWZOIG-MDZDMXLPSA-N 330.434 3.729 0 1 EHAF Cc1onc(-c2nc3ncc[nH]c-3n2)c1COc1ccc(Cl)cc1 587076353 QVMOHMXSHYMYMA-UHFFFAOYSA-N 341.758 3.500 0 1 EHAF Cn1nc(C(F)(F)F)cc1-c1nc2cccc(Br)c2[nH]1 587117780 LJBMBTGBGSAVDR-UHFFFAOYSA-N 345.122 3.745 0 1 EHAF CCOC(=O)C[C@]1(CC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439642 BZMRHBDZQBJUJK-JLTOFOAXSA-N 346.423 3.571 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1c(N)cccc1F)CC2=O 587465588 ITIHGFUBIYHHLL-IBGZPJMESA-N 329.371 3.947 0 1 EHAF Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587774057 LCVQMTRVWYWSNK-ZIDLFYJRSA-N 339.208 3.817 0 1 EHAF COc1ccc(Cc2nc3ccc(OC(C)C)cc3[nH]2)cc1OC 587925628 FLMBBVLSIYWWHW-UHFFFAOYSA-N 326.396 3.958 0 1 EHAF Cc1nc([C@@H]2NCCc3ccc(F)c(C)c32)sc1Br 962090344 IKPJRCAJKZMJNG-GFCCVEGCSA-N 341.249 3.897 0 1 EHAF COc1ccc2c(c1OC)[C@H](c1cc(C(C)(C)C)n[nH]1)N(C)[C@H](C)C2 962618924 FJBMDMVRHOGINM-XIKOKIGWSA-N 343.471 3.690 0 1 EHAF CCC(CC)[C@]1(C)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962635910 KTYHODQDOOOCCT-LRDDRELGSA-N 345.361 3.836 0 1 EHAF CN1CCN(c2nccc(Nc3ccc(-c4ccccc4)cc3)n2)CC1 1857552351 JSOYGHOXUXPDJE-UHFFFAOYSA-N 345.450 3.639 0 1 EHAF COc1cccc(Nc2cc(NC(=O)/C=C/c3ccccc3)ncn2)c1 1857765144 KSTVUNJQCRRNTD-ZHACJKMWSA-N 346.390 3.881 0 1 EHAF CC(C)[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(Cl)cc2)O1 95569215 AWGCJEWWXJXBLJ-JSGCOSHPSA-N 336.844 3.773 0 3 EHAF COc1cc(CC[C@H](O)CC(=O)CCc2ccccc2)ccc1C 2356358968 AMIHBCGEEMDAQM-FQEVSTJZSA-N 326.436 3.889 0 1 EHAF C[C@@H](O)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356375023 MUZMXKKQNPFGNS-WKKDHKDESA-N 332.484 3.774 0 1 EHAF O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccc(F)cc2)o1 4329671 HAGMEVSLNMNGQI-UHFFFAOYSA-N 347.733 3.547 0 1 EHAF CC(=O)Nc1ccc(-c2ccc([C@](O)(c3c[nH]cn3)C(C)C)cc2)cc1 59972366 MDJDLHSQYRTGNB-NRFANRHFSA-N 349.434 3.927 0 1 EHAF Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc2c1=O 103198995 MDRSSRUTEUNBIW-UHFFFAOYSA-N 335.190 3.819 0 1 EHAF CC1=CCC[C@](C)(O)[C@H](O)CCC(C)=C[C@]2(C)OC(=O)C(C)=C2CC1 2356586869 QROGSFBTQTXFEX-GIVPXCGWSA-N 348.483 3.977 0 1 EHAF C[C@H](Nc1nccc(-n2cnc3cc(N)ccc32)n1)c1ccccc1 34007394 LKKRIEJQVMVWOH-ZDUSSCGKSA-N 330.395 3.571 0 1 EHAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@@]1(C)CCC1=CC(=O)NC1 15149191 VQRQNLURKYFYFP-UNGRWJMUSA-N 331.456 3.686 0 1 EHAF biogenic CCN(C)C(=O)c1cc(-c2[nH]ncc2-c2ccc(F)c(Cl)c2)c[nH]1 71788645 OHRDNIYKABWLCL-UHFFFAOYSA-N 346.793 3.956 0 1 EHAF COc1c(C)cc2c(c1C)[C@@H]1CN(C(=O)OCC(C)C)CC[C@@H]1N2 40556664 KJOMMZMATLWXHL-CABCVRRESA-N 332.444 3.688 0 1 EHAF O=C(Nc1ccc2[nH]ccc2c1)c1cc(NC2CCCCC2)ncn1 49785729 XOEUJDNRYAEWRB-UHFFFAOYSA-N 335.411 3.955 0 1 EHAF O=C1c2ccccc2C(=O)N1c1ccc(CCc2ccc(O)cc2)cc1 45299997 OFQPQJJVXCUPFR-UHFFFAOYSA-N 343.382 3.978 0 1 EHAF in-vivo Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)c(F)c(F)c1 43015721 LLSBPKPNVGJBRE-NEPJUHHUSA-N 341.352 3.793 0 1 EHAF Cc1ccccc1-c1ccc([C@@H]2C[C@@H]2c2cc(=O)n(C)c(N)n2)cc1 95552959 KOTTVSUKQAFIAE-ROUUACIJSA-N 331.419 3.609 0 1 EHAF CCOC(=O)[C@@H]1Nc2c(F)cc(C)cc2[C@@H]2c3ccccc3C[C@H]21 263591863 NVUWQTLUUFNIEY-HHXXYDBFSA-N 325.383 3.796 0 3 EHAF CC1(C)Cc2c(-c3cc4ccccc4s3)n[nH]c2[C@@H](C(N)=O)C1 299871247 YECULBXNBHOEFP-LBPRGKRZSA-N 325.437 3.833 0 1 EHAF CC(C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1 299865597 NXRNFNSEVHPWOH-JXFKEZNVSA-N 341.451 3.675 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)O[C@@H](C)CC)CC2=O 587485718 QNCNUDOJPJEGHS-HXPMCKFVSA-N 334.412 3.800 0 1 EHAF Fc1cnc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 587082144 LRWLZRLTHIWGFU-UHFFFAOYSA-N 343.749 3.650 0 1 EHAF O=C1c2ccccc2-c2cc(CC(=O)C3CC3)nc3ccc(O)c1c23 586991189 LXUMFZQQFNEWAT-UHFFFAOYSA-N 329.355 3.673 0 1 EHAF CC(C)OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989201 BAFVYLUCDZZIHH-UHFFFAOYSA-N 347.370 3.646 0 1 EHAF COc1ccc(-c2nc3c(Br)ccnc3[nH]2)c(OC)c1C 587786956 HZEDHYINQDHKOE-UHFFFAOYSA-N 348.200 3.713 0 1 EHAF CC[C@@H]1C(=O)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587817361 KSRXVAGOGXHXRB-ZXLZKYRFSA-N 340.236 3.707 0 1 EHAF C[C@H]1C[C@@H](C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587823149 OLPKHIOJWGLAHI-PIAUOXEZSA-N 340.236 3.563 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3OCCC[C@@H]32)N1 587840991 LCWVYHNHKNIHIB-XXJUTLCCSA-N 340.236 3.517 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1 587609682 OWVRYGPDFRIDNV-XLIONFOSSA-N 334.327 3.801 0 1 EHAF Cc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1F 587131532 MIHDZEFCGLFAIO-UHFFFAOYSA-N 326.318 3.629 0 1 EHAF COc1nccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587226473 QPEMABBIKQWCBC-CYBMUJFWSA-N 346.431 3.723 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(C)c(O)c(C)c(C)c1O)[C@@H](C2)C3=O 587449983 LGIIUZCGQNLHBN-RBZFPXEDSA-N 340.375 3.520 0 1 EHAF N[C@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(F)cc1F 587151941 WYAGPGMAVPTAEI-JTQLQIEISA-N 329.137 3.591 0 1 EHAF Fc1cc(-c2ccncc2)ccc1[C@H]1NCCc2nc3ccccn3c21 962992774 YZVJPCSYFDKABV-HXUWFJFHSA-N 344.393 3.771 0 1 EHAF COc1ccccc1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772606086 OQVPDPIZHMMVHI-MRXNPFEDSA-N 338.363 3.660 0 1 EHAF C1=Cc2ccccc2C2(OC[C@H]([C@@H]3CCCCN3)O2)c2ccccc21 13453662 VTMCNFHFOHBLOZ-LEWJYISDSA-N 333.431 3.929 0 1 EHAF O=c1c2ccccc2ncn1CCC1CCN(Cc2ccccc2)CC1 13730963 XPEZPTDMSZUQAL-UHFFFAOYSA-N 347.462 3.699 0 1 EHAF Cc1ccc(-c2ncn3c2CN(C(=O)N(C)C)c2ccccc2-3)cc1 13758876 KOTDYTILXIGIBR-UHFFFAOYSA-N 332.407 3.849 0 1 EHAF CC(C)c1cc(C(=O)O)c2c(c1O)O[C@]1(O)C(C)(C)CCC[C@]21C 14690072 KLOJCXCHQBUABA-RTBURBONSA-N 334.412 3.763 0 1 EHAF biogenic C/C=C(\C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@@]12O 15220240 MQNZCIQEZXYGJZ-JBEQPYAYSA-N 332.440 3.732 0 1 EHAF O=C1CSc2cccnc2N1Cc1cccc(OC(F)(F)F)c1 169348915 NCPJHYQGWPFKQN-UHFFFAOYSA-N 340.326 3.619 0 1 EHAF O=C(O)CCCCCS(=O)(=O)c1ccc(Cc2ccccc2)cc1 26938555 QCFSNGMCKUFLCA-UHFFFAOYSA-N 346.448 3.696 0 1 EHAF CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4081772 ZJMMUIDDIQSLIJ-ZFWWWQNUSA-N 334.828 3.582 0 1 EHAF CCOCCCNc1nc2ccccc2c2nc(-c3ccccc3)nn12 6805405 CSUZXCPEYGTZNL-UHFFFAOYSA-N 347.422 3.783 0 1 EHAF COc1ccc(Nc2ncnc3c2nc2n3CCCC2)cc1Cl 6936847 UVFJAHDNNRNVHA-UHFFFAOYSA-N 329.791 3.568 0 1 EHAF O=C1CCc2ccccc2C1(Cc1ccccn1)Cc1ccccn1 27978415 TWLDPDOBRBIENW-UHFFFAOYSA-N 328.415 3.715 0 1 EHAF CC1CCN(CCCC2(S(=O)(=O)c3ccccc3)CCC2)CC1 28571504 FVCUMCHUIRILJU-UHFFFAOYSA-N 335.513 3.895 0 1 EHAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C(=O)O)[C@@]2(C)CCC(=CCO)CO 2356781855 CARVBZGFRUGPHE-ONCXSQPRSA-N 336.472 3.541 0 1 EHAF COc1cc(OC)c2nc(C)c3c(C)nc(-c4cccnc4C)n3c2c1 73169617 UBWSOHYIVVIMQK-UHFFFAOYSA-N 348.406 3.887 0 1 EHAF C[C@@H]1C(=O)c2cc3c(cc2[C@@H](c2ccc4c(c2)OCO4)[C@H]1C)OCO3 136853943 QJSBINYNDXOXHY-ZHYXMNDGSA-N 338.359 3.744 0 1 EHAF COc1cc(C(=O)c2cc3c(OC)cccc3o2)cc(OC)c1OC 45388005 WLMMWRMDKDFHBN-UHFFFAOYSA-N 342.347 3.698 0 1 EHAF CN1CCC[C@H]1[C@H]1C[S@](=O)[C@@](c2ccccc2)(C2CCCCC2)O1 40429987 UNZBDOQVZFAUNP-CMCWBKRRSA-N 347.524 3.661 0 1 EHAF O=C1N(c2ccnc(Cl)c2)[C@H]2C[C@H]2N1c1cnccc1C1CC1 143905830 ZOISWEGQAUQFGF-UONOGXRCSA-N 326.787 3.595 0 1 EHAF COc1ccc2[nH]c([C@@H]3CCN(Cc4ccc(F)cc4)C3)nc2c1 51076779 SSLOCLBGNAPVHG-CQSZACIVSA-N 325.387 3.700 0 1 EHAF biogenic Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](CC(=O)O)c1cccc(F)c1 299859344 XCQYBSGOXSMAQW-HNNXBMFYSA-N 347.386 3.970 0 1 EHAF CCc1cc(O)nc(SCc2nc3cc(Cl)c(F)cc3[nH]2)n1 586966310 DXTZGJCSUHLQIZ-UHFFFAOYSA-N 338.795 3.706 0 1 EHAF COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(OC)c1C 587788219 RLPJYVKZCIITSN-UHFFFAOYSA-N 340.379 3.717 0 1 EHAF CC(C)O[C@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587813106 SZUOOBQAKPZBPE-HPEXNQPKSA-N 342.252 3.905 0 1 EHAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(C)(C)C)cc2[nH]1 586962582 SDYUCEISFINABF-SECBINFHSA-N 343.456 3.792 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ccc(Cl)nc31)O2 587378248 AVYWNPMRDSEEMH-SFHVURJKSA-N 328.799 3.823 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCO[C@H](C)C2)N1 587841282 MLWKMTMYOUTEQR-FEUHOPSXSA-N 328.225 3.517 0 1 EHAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(Br)nc3[nH]2)cc1 586889415 NOUIPRYXIWDYDY-QMTHXVAHSA-N 346.228 3.866 0 1 EHAF O=C(CCCc1nc2ccnc(Cl)c2[nH]1)c1ccc(Cl)cn1 587082928 YVCFTBNHYQAUDW-UHFFFAOYSA-N 335.194 3.865 0 1 EHAF CC(=O)c1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587157340 SOPSQWBHRXJVIA-LJQANCHMSA-N 337.354 3.696 0 1 EHAF O=Cc1cc(Br)cc(-c2nc3cc(Cl)ncc3[nH]2)c1 586982530 LUQHOIDLJLZHGG-UHFFFAOYSA-N 336.576 3.853 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C2CC2)N1 587813151 BJGKGXQBSJQRJB-FVMDXXJSSA-N 340.236 3.707 0 1 EHAF Fc1cc(F)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 587006031 AEARHLLUAIDIIF-UHFFFAOYSA-N 349.138 3.918 0 1 EHAF C[C@H](O)CCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587834049 QLQJRFMOLSRTNE-AMJWSMQMSA-N 330.241 3.715 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccnc(C(F)(F)F)c1)O2 587381497 GDVLOCBUMRXZSF-MRXNPFEDSA-N 336.313 3.872 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)O3)N1 587845263 ZZPYEIIQKCTBFS-RSZCLBMNSA-N 340.236 3.659 0 1 EHAF O=c1c2ccccc2nc(-c2ccccc2)n1-c1nnc(C2CC2)s1 1772582420 KWDHJRWXXDFLQD-UHFFFAOYSA-N 346.415 3.782 0 1 EHAF COC(=O)[C@@H](C)CCOc1ccc2c(OC)c3ccoc3nc2c1 14688610 WOPDGNHIWBYEOT-NSHDSACASA-N 329.352 3.568 0 1 EHAF O[C@@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(F)cc12 169334865 NFZIIYKIKHDGMG-NHYWBVRUSA-N 342.336 3.958 0 1 EHAF CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C 12493634 QPLFSAZMHUAMKE-MOFOTJPJSA-N 334.500 3.710 0 1 EHAF Nc1cccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1 3815151 WXPDCELKHNMODS-UHFFFAOYSA-N 336.786 3.999 0 1 EHAF CN(C)C(=O)c1ccc(-c2cc(NCc3cccs3)ncn2)cc1 4266502 NBGJZJBYWHWVCP-UHFFFAOYSA-N 338.436 3.519 0 1 EHAF CC(=O)C[C@@H]1c2ccccc2N=C(n2cncn2)N1c1cccc(C)c1 103176732 MWGXAQNORNQJLH-LJQANCHMSA-N 345.406 3.663 0 1 EHAF FC(F)(F)COc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 26000353 QOLXEDKLRDCBNU-UHFFFAOYSA-N 349.356 3.590 0 1 EHAF COc1c(OCC=C(C)CC=CC(C)(C)O)ccc2ccc(=O)oc12 2356504832 HAXANHARRBCLKV-UHFFFAOYSA-N 344.407 3.844 0 1 EHAF COC(=O)C/C=C\[C@H](C)[C@@H](Cc1ccccc1Br)OC 73111228 OEXFZJIMWVCZMM-YESNPAQRSA-N 341.245 3.762 0 1 EHAF C[C@@H]1CC[C@]2(CO)C(C(=O)O)=CC=C[C@H]2[C@@]1(C)CCc1ccoc1 15162375 XLOARMGSPCGDKT-UDDICAGYSA-N 330.424 3.824 0 1 EHAF biogenic COc1cc(-c2oc3ccc([C@@H](O)[C@@H](C)O)cc3c2C)ccc1O 13340408 YUGNNXHPUAKQQQ-ZMZPIMSZSA-N 328.364 3.537 0 1 EHAF biogenic O=C(N[C@H]1CCc2c(Cl)cc(Cl)cc21)[C@H]1COc2ncccc21 213111660 PNDDUDLCJXTQSQ-ZFWWWQNUSA-N 349.217 3.668 0 1 EHAF COc1ccc(-c2cccc3nc(NC(=O)c4ccccc4)nn23)cc1 138720875 XCUIKIYPUSLOMQ-UHFFFAOYSA-N 344.374 3.657 0 1 EHAF Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C)cc(CN2CCOCC2)c1C 45259915 WSOHKASMFUAWFD-YWZLYKJASA-N 344.499 3.900 0 1 EHAF CC[C@@H](C)Nc1ncc(C(=O)N2CCCC2)c(-c2ccccc2F)n1 82152135 IMTKLJNVZOOFLF-CYBMUJFWSA-N 342.418 3.729 0 1 EHAF CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccccc2)ncc1F 142140610 SWTMASMRPACGHX-SWLSCSKDSA-N 344.390 3.770 0 1 EHAF Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4nnc(C)n4C=N[C@H]32)cc1 98085184 VYPIWPLPCKAJIY-UXHICEINSA-N 341.418 3.756 0 1 EHAF Cc1ncsc1[C@H](c1ccccc1)n1cc(-c2ccccn2)nn1 95556329 COCNOVYTKSZUDO-KRWDZBQOSA-N 333.420 3.743 0 1 EHAF O=C1[C@@H]2CCCN2[C@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 250127135 XTPWKQLKOSVDPX-IRXDYDNUSA-N 330.790 3.989 0 1 EHAF Nc1cc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2cc1N 587084768 GNIJUHFQIZDWDR-UHFFFAOYSA-N 336.786 3.505 0 1 EHAF COc1cc2c3c(c1)O[C@](c1ccc(N)cc1)(C(C)(C)C)[C@@H](C2)C3=O 587426939 BJLYOXMXCKWEJN-KKSFZXQISA-N 337.419 3.966 0 1 EHAF COc1ccc2nc(COc3cccc(OCC(C)C)c3)[nH]c2n1 587566118 WBHNWCWMZUZSSY-UHFFFAOYSA-N 327.384 3.580 0 1 EHAF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587964034 YPVDKFRRUYVSGR-HIFRSBDPSA-N 332.403 3.952 0 1 EHAF Cc1cnc(Cl)c2[nH]c(-c3ncc(Br)cc3F)nc12 587154526 AGDDKUKACKESQN-UHFFFAOYSA-N 341.571 3.883 0 1 EHAF CC(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586997159 OBQZURHAKDIIBF-OAHLLOKOSA-N 345.196 3.610 0 1 EHAF Cc1ccnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587770403 JHAQRDQYRUXYLK-QFYYESIMSA-N 335.220 3.915 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCc4c(F)ccc(F)c41)[C@@H](C2)C3=O 587426721 FGZQALICXYPCPQ-HXPMCKFVSA-N 328.314 3.563 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CC)(c1c[nH]c(C(=O)O)c1)CC2=O 587479646 AAHAJTQXRGDVKS-LJQANCHMSA-N 343.379 3.642 0 1 EHAF CC[C@]1(c2ccncc2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962620322 GAJXIJZWWIYCTF-XOBRGWDASA-N 326.440 3.629 0 1 EHAF C[C@]1([C@@H]2CC[C@@H](N)C2)c2cccc(F)c2CCN1[C@H]1CCSC1 962693323 BMQJSSAJTGJAMC-CUYVQJCZSA-N 334.504 3.532 0 1 EHAF CN1C(=O)C[C@H]2CN[C@@H](c3cc4cccnc4cc3F)c3cccc1c32 963015726 ADMLDQMHNLPNIR-YEJXKQKISA-N 347.393 3.517 0 1 EHAF CCN1CC[C@@](O)(c2ccc(C)cc2)[C@H](C(=O)c2ccc(C)cc2)C1 5807730 ADTJYHHPIOXMGN-RBBKRZOGSA-N 337.463 3.716 0 1 EHAF CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)OCO4)n2)c1 13679252 VCQYSCPNENRBFZ-UHFFFAOYSA-N 348.362 3.574 0 1 EHAF CC(C)N(Cc1ccc(Cl)cc1)c1ccc2nc(N)nc(N)c2c1 169344386 JSYAVBKCELIZEZ-UHFFFAOYSA-N 341.846 3.863 0 1 EHAF CN1C[C@](O)(c2ccc(-c3cccs3)cc2)O[C@@H]2CCCC[C@@H]21 169370012 MXIZKFJQVCWRGU-YQVWRLOYSA-N 329.465 3.833 0 1 EHAF O=C(O)CSc1ccc(NC(=O)Nc2ccccc2F)cc1F 1857642196 FFNNRVGCABVLNA-UHFFFAOYSA-N 338.335 3.786 0 1 EHAF O=c1oc2c(Cl)cc(Cl)cc2cc1C1=CSC2=NCCN12 1662011 XZLYPCMEVJEZEL-UHFFFAOYSA-N 339.203 3.817 0 1 EHAF C[C@@H](NC(=O)N1C(=O)C[C@@H]1SCc1ccccc1)c1ccccc1 6494439 YSIYYNWVNIFWQJ-KDOFPFPSSA-N 340.448 3.949 0 1 EHAF c1ccc(N2CCN(CCCOc3cccc4c3CCC4)CC2)cc1 26504417 FBVKKBXTOGXOGL-UHFFFAOYSA-N 336.479 3.766 0 1 EHAF O=C(O)[C@@H]1Cc2cc([C@@H](O)c3cccs3)c(Cl)c(Cl)c2O1 27991088 IOSWZADOXNEVNX-QPUJVOFHSA-N 345.203 3.525 0 1 EHAF C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28095175 MHGMYQNJCFLCSU-DBRDSBMUSA-N 345.483 3.920 0 1 EHAF O=C1[C@H]2CCC[C@]1(c1cccc(O)c1)CCN2CCc1ccccc1 28710326 ZLDCLRRKTDHPKZ-IFMALSPDSA-N 335.447 3.700 0 1 EHAF CC(C)(C)C(=O)c1ccc(C(=O)NC(=O)c2ccc(F)cc2)cc1 29389680 ZWTZWSFVKIYWPU-UHFFFAOYSA-N 327.355 3.625 0 1 EHAF CC1(C)CC(=O)c2nc3ccccc3nc2-c2ccccc2C(=O)O1 43123234 FKVHNIDETFYCSU-UHFFFAOYSA-N 332.359 3.819 0 1 EHAF COc1ccc(CNCc2coc(-c3cccc(F)c3)n2)c(OC)c1 72185819 QCGCHUPANPEHOP-UHFFFAOYSA-N 342.370 3.788 0 1 EHAF CCC(CC)c1nc2c(NCC3CC3)ncnc2n1C[C@H]1CCCO1 82185247 XCCHEGCWUOZBDB-OAHLLOKOSA-N 343.475 3.731 0 1 EHAF CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=C(C)/C1=C(\O)OC 100025619 UCLNNUHQWPSFKP-KCGBVJQISA-N 345.395 3.506 0 1 EHAF COc1cc(-c2cc(OC)c3cccnc3c2)cc(OC)c1OC 146161909 KSFHGLVWPSGSCT-UHFFFAOYSA-N 325.364 3.936 0 1 EHAF O=c1[nH]c2cc(-c3ccccc3)nn2c2cc(-c3cccnc3)ccc12 169350975 NIXJJEAUGARBNB-UHFFFAOYSA-N 338.370 3.905 0 1 EHAF C[C@@H](CF)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 169363102 ISWUXQKIYIOEJI-YHAGNCMBSA-N 339.838 3.808 0 1 EHAF COc1cccc2[nH]c3c(c12)C[C@@H]1c2cc4c(cc2CCN1C3)OCO4 209381210 BUYJSSDFOQMYKS-QGZVFWFLSA-N 348.402 3.561 0 1 EHAF CC(C)CC(=O)NC[C@H]1CC[C@H]([C@H](c2ccccn2)N(C)C)CC1 257367456 XXXXXRSURBEUEF-MBOZVWFJSA-N 331.504 3.653 0 1 EHAF Nc1nc(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c[nH]1 299827461 FULQGRJXWYAVIM-UHFFFAOYSA-N 346.312 3.930 0 1 EHAF CCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2ccccc21 299861999 MITIUYOVWKWXAF-UHFFFAOYSA-N 326.440 3.720 0 1 EHAF CC1(C)Cc2c(-c3ccc(Cl)c(Cl)c3)n[nH]c2[C@H](C(N)=O)C1 299869943 VRKIXSVGCUQESJ-SNVBAGLBSA-N 338.238 3.925 0 1 EHAF O[C@H]1CC[C@@H](c2nc3cc(Cl)cc(Br)c3[nH]2)CC1 586898921 LEWTZDFHYRLPCF-OTSSQURYSA-N 329.625 3.997 0 1 EHAF Cc1c(Cl)ccc2nc(CSc3ncccc3C(=O)O)[nH]c12 586967407 WCMNHFHHRZLSTO-UHFFFAOYSA-N 333.800 3.910 0 1 EHAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(N)ncnc2[nH]1 587011332 FYEIASHZXAKTGX-UHFFFAOYSA-N 342.815 3.687 0 1 EHAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(N)=O)cc2[nH]1 587069314 HYDYIPDXUODXPJ-JTQLQIEISA-N 341.798 3.692 0 1 EHAF CCCCOc1cc2nc([C@H](N)[C@H](C)F)[nH]c2cc1Br 587124791 PCEPBNWEKNNCCX-ISVAXAHUSA-N 344.228 3.862 0 1 EHAF CCOc1cc(/C=C/c2nc3cnncc3[nH]2)ccc1OC(F)F 587129129 CGTKZQPXAXSSOX-GQCTYLIASA-N 332.310 3.523 0 1 EHAF NC(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 587243017 AWTINUIJLNWUKD-UHFFFAOYSA-N 338.264 3.878 0 1 EHAF COC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346224 IEIJKTUSVNRMAK-UYAOXDASSA-N 342.366 3.685 0 1 EHAF C[C@]1(CC2COC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356993 LUNJNCXZZRQBHY-UYAOXDASSA-N 342.366 3.685 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(C(C)(C)C)c1C)O2 587391080 PBHMMDPFBAMPLC-MRXNPFEDSA-N 327.428 3.852 0 1 EHAF COc1cc2c3c(c1)OC1(CCN(c4ccc(C)cc4)CC1)[C@@H](C2)C3=O 587439904 XMHBXFUEEDQZTL-SFHVURJKSA-N 349.430 3.790 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(O)c1)CC2=O 587477877 JZUQZQHZZQAKKR-SFHVURJKSA-N 328.364 3.765 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)ccc1OC)CC2=O 587481115 PPIITMKSIGJSQO-GOSISDBHSA-N 328.364 3.765 0 1 EHAF Cn1cccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576761 KLKWDVRTDMEVRO-PXNSSMCTSA-N 335.359 3.608 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCOC2)N1 587836662 XBLPLCVYTLUQJZ-IQMDTDKHSA-N 328.225 3.590 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCSC2)N1 587857994 NRRNRBJIZNOYAD-OTYXRUKQSA-N 330.266 3.845 0 1 EHAF CNc1nc2ccccc2n2c(-c3cc(OC)cc(OC)c3)cnc12 653747406 JNMJYBUMJIBUCC-UHFFFAOYSA-N 334.379 3.608 0 1 EHAF C[C@H](N)C[C@@]1(c2ccco2)c2ccsc2CCN1Cc1ccco1 962700225 CGMYHVRNZXFNBL-LIRRHRJNSA-N 342.464 3.973 0 1 EHAF C[C@@]1(COc2cccc(C=O)c2)c2c(F)cccc2C[C@@H]2CCCN21 963095007 BXPHABVHEZKAPN-LAUBAEHRSA-N 339.410 3.953 0 1 EHAF N=[S@](=O)(O)c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1 1252715237 GSQUWLKYLZMYSC-UHFFFAOYSA-N 335.772 3.936 0 1 EHAF OCCCCCNCc1nc2cccc(OCC3CCCCC3)c2[nH]1 1857541849 WCVDLXXGVCJHLW-UHFFFAOYSA-N 345.487 3.774 0 1 EHAF O=C(O)COc1ccc(OCc2ncc(-c3ccccc3)o2)cc1F 1857609327 WTUXRPBTVNRGHV-UHFFFAOYSA-N 343.310 3.523 0 1 EHAF CN=c1nc(-c2ccc(O)c(OC)c2)cc(-c2ccc(Cl)cc2)[nH]1 1857750339 BXCXFZGXZIOAES-UHFFFAOYSA-N 341.798 3.642 0 1 EHAF CC(C)c1c(O)ccc2c1CC[C@@H]1[C@](C)(C(=O)O)CC(=O)C[C@@]21C 2356565612 FIIHHPSSDWHEQS-FFZOFVMBSA-N 330.424 3.790 0 1 EHAF C[C@@H]1CC2=CCC[C@@H]2[C@]2(O1)C(=O)Nc1cccc(Br)c12 38142355 ANKVNMTUSQDSJD-SEFYAATASA-N 334.213 3.742 0 3 EHAF Cn1c(Oc2ccncc2)nc2cc(-c3ccsc3)sc2c1=O 61928199 JJUXFDOJISDUCV-UHFFFAOYSA-N 341.417 3.911 0 3 EHAF O=C1CN(C(=O)C2CC2)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 212207 HAOHFVHPFPVJHS-SFHVURJKSA-N 340.810 3.620 0 1 EHAF Cn1cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 3581735 LXFFZWVNTGOPSH-UHFFFAOYSA-N 340.404 3.638 0 3 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)Cc3c(CO)coc3C[C@H]12 2356442032 MDNZWGMJADDCJN-ITSWUFQBSA-N 332.440 3.801 0 1 EHAF CCCCOC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 101265010 UITXTNXEIFGSBI-FRFSOERESA-N 330.428 3.954 0 1 EHAF CCC(=O)N1CCC(NC(=O)Nc2c(Cl)cccc2Cl)CC1 64540063 VGIJVSYPYAPSAH-UHFFFAOYSA-N 344.242 3.516 0 1 EHAF CCC=CCC=C[C@H](O)[C@H](O)C=CC=CCC=CCCCC(=O)O 2356576357 XJVATZRQYYFGGW-RBUKOAKNSA-N 334.456 3.934 0 1 EHAF CN[C@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1 28644607 XXBKLDUYHYSMNJ-INIZCTEOSA-N 349.825 3.982 0 1 EHAF c1ccc(CN2CCC(NCc3coc(-c4ccco4)n3)CC2)cc1 72103132 GXPUGIINTPAUIU-UHFFFAOYSA-N 337.423 3.689 0 1 EHAF C[C@H]1Oc2cc3c(cc2C1(C)C)C[C@H](c1ccc(O)cc1O)CO3 13429494 ANHPMZQXTAKLGG-YPMHNXCESA-N 326.392 3.875 0 1 EHAF biogenic CCCCc1nc(Cl)c([C@H]2CC(c3ccco3)=NN2C(C)=O)n1C 72108010 CZHLRBVLEPZXCV-CYBMUJFWSA-N 348.834 3.707 0 1 EHAF COc1ccc(-c2csc(NCC(=O)NC3CCCCC3)n2)cc1 82197822 PTCCQAIYSXBFOE-UHFFFAOYSA-N 345.468 3.680 0 1 EHAF Nc1ncnc2c1c(Oc1cc(-c3ccccc3)ccn1)nn2C1CC1 1911571194 WBTFDKIUUDTYNJ-UHFFFAOYSA-N 344.378 3.598 0 1 EHAF O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1 43120044 TZQRQWWAQZCVET-UHFFFAOYSA-N 341.842 3.598 0 1 EHAF COc1cc2ncnc(NCCc3ccccc3Cl)c2cc1OC 45227348 UKRKNTUWLLNGGG-UHFFFAOYSA-N 343.814 3.955 0 1 EHAF C[C@@]12CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]1C=CC=C2C(=O)O 86003764 NKKNCIDSGPSJTA-HGDKKCICSA-N 342.391 3.887 0 1 EHAF CCCCn1nnnc1[C@H](c1ccccc1)N1CCc2ccccc2C1 95569378 WQTKMTSJVNOMIA-FQEVSTJZSA-N 347.466 3.621 0 3 EHAF Oc1cc(O)cc(OCCCOc2ccc(-n3cccc3)cc2)c1 473114652 ODWPFPUVZUWNAK-UHFFFAOYSA-N 325.364 3.736 0 1 EHAF CCOC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1OC 653829442 GWDNXYRWQYUBFZ-OAGGEKHMSA-N 330.405 3.532 0 1 EHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Cl)nc2[nH]1 586963440 NWKBKGQRAKZEMO-SECBINFHSA-N 335.820 3.659 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(C)c1C(F)F)CC2=O 587466127 LVWHVUDKVSCWJA-CQSZACIVSA-N 336.338 3.722 0 1 EHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)n1 587079850 LGPJYCCLTNUVCD-CLAHSXSESA-N 332.795 3.775 0 1 EHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OC)c(C)cc3[nH]2)cc1 587937184 NYCPKQYSSYPNEC-XIKOKIGWSA-N 326.396 3.726 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cccc(C)n1)O2 587389023 DGTMYCACNDHKHB-GOSISDBHSA-N 333.391 3.778 0 1 EHAF COc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)OCCO4)CC2 587946760 MWVDJKXKSZRJNL-CYBMUJFWSA-N 336.391 3.615 0 1 EHAF Oc1cccc(CCc2nc3cc(Br)cc(F)c3[nH]2)c1 586896410 FFXQQRDTTKZYJW-UHFFFAOYSA-N 335.176 3.955 0 1 EHAF COC(=O)c1coc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532636 MIMHQWQZKIULMR-HXUWFJFHSA-N 340.375 3.826 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1[nH]nnc1-c1ccccc1)CC2=O 587483907 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3.551 0 1 EHAF Cc1c(-c2cccnc2)n(CCCCP(=O)(O)O)c2ccccc12 13542834 OXXQUPYKECDAHD-UHFFFAOYSA-N 344.351 3.970 0 1 EHAF CCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 13833871 WHTMYCKABDGZJG-UHFFFAOYSA-N 340.379 3.675 0 1 EHAF CC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@@H]2C1 169333229 ZMXCLMPXNMCQSZ-RQEXAXHLSA-N 345.446 3.591 0 1 EHAF Cc1ccc(Cn2cc(COC(=O)Nc3ccc(F)cc3)nn2)cc1 203462543 YFZAAHUEPPIKGA-UHFFFAOYSA-N 340.358 3.523 0 3 EHAF COc1ccc(CN=c2[nH]n(C)c3ccc(C(F)(F)F)cc23)cc1 1857539299 PIYCHPWHYAMRIU-UHFFFAOYSA-N 335.329 3.635 0 1 EHAF CCc1ncn(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1 13525070 HRFVDBLNAIZZCA-UHFFFAOYSA-N 344.411 3.644 0 1 EHAF COc1c2c(cc3occc13)O[C@](OC)(c1ccccc1)C[C@H]2O 14677178 JGLSWGKFWYOQEY-KUHUBIRLSA-N 326.348 3.757 0 1 EHAF biogenic COc1cc(CCc2cn(C)c3ccccc23)cc(OC)c1OC 26656737 VXDLKTAVYWOBRD-UHFFFAOYSA-N 325.408 3.989 0 1 EHAF CSc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc1 36185162 GZOFPTJXAYPEIT-INIZCTEOSA-N 346.452 3.522 0 1 EHAF CN(C)CCN1CCCc2cc(NC(=N)c3cccs3)cc(F)c21 73277644 ZSHIRWDFKXBDDI-UHFFFAOYSA-N 346.475 3.639 0 1 EHAF O=C(c1ccc2nccn2c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 96169247 DBVFOMYYIPYKCN-OALUTQOASA-N 331.419 3.669 0 1 EHAF O=C(Nc1cc(Oc2cncnc2)ccn1)c1cccc(Cl)c1 96175671 GMKMPZQKCHGRMQ-UHFFFAOYSA-N 326.743 3.570 0 1 EHAF Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(S)nc(O)c32)cc1 100644697 VVNCPCPSSPVRCK-ZDUSSCGKSA-N 339.420 3.993 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(Cl)c(Cl)c1)[S@]2=O 101102892 MIMHZFDDUBVDSD-RBVIKWMHSA-N 347.263 3.550 0 1 EHAF CCCC(=O)N(Cc1ccccc1)c1nc(C)nc(C(F)(F)F)n1 103290404 RDSBQCWAOJJRES-UHFFFAOYSA-N 338.333 3.532 0 1 EHAF O=C1Cc2ccccc2N1[C@@H]1C[C@@H]2C[C@H](C1)CN2Cc1ccccc1 169363602 KMSRSLBWGAQZCH-HOJAQTOUSA-N 332.447 3.629 0 1 EHAF CC[C@H](C)N1C(=O)c2ccccc2[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 245257641 AZFAKNIDWIODHW-ZWHCBUBPSA-N 342.483 3.923 0 1 EHAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nn1C 586986907 HCEWNGPBYGKGDT-UHFFFAOYSA-N 341.370 3.861 0 1 EHAF Cc1ccnc2[nH]c(CCNc3ccc(Br)cc3)nc12 586996420 PLJNAKHTBHNLJO-UHFFFAOYSA-N 331.217 3.683 0 1 EHAF COc1cncc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c12 587048431 IQZDDIYXJJOKRK-UHFFFAOYSA-N 344.802 3.881 0 1 EHAF CCOc1ccccc1[C@](N)(c1nc2ccccc2[nH]1)C(F)(F)F 587092388 LSISTCXLPJPNCJ-INIZCTEOSA-N 335.329 3.726 0 1 EHAF Cc1cc(F)c2[nH]c([C@@]3(C)C=C(c4ccccc4F)NO3)nc2c1 587156382 MQDBPIKIFUBDQJ-GOSISDBHSA-N 327.334 3.941 0 1 EHAF CC(=O)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 587178235 WMOHQVBBPJZPAQ-UHFFFAOYSA-N 334.148 3.729 0 1 EHAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(CO)cc2[nH]1)C1CCCC1 587226839 UTCVCDSMHUJYDS-INIZCTEOSA-N 345.443 3.811 0 1 EHAF COc1ccc(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402313 BJGHKTRQNNIYPH-HXUWFJFHSA-N 325.408 3.943 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCOc4ccc(Cl)cc41)[C@@H](C2)C3=O 587422477 QFNGPSPBDCWEKB-LIRRHRJNSA-N 342.778 3.774 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](Cc1ccc(OC)cc1)CC2=O 587477048 HJWJPGWNVOBUQQ-OAHLLOKOSA-N 326.392 3.930 0 1 EHAF Cc1nscc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619463 SZMDCJQKOCYFJJ-CRAIPNDOSA-N 339.372 3.860 0 1 EHAF COC(=O)c1c(Cc2ccc(F)c(F)c2)[nH]c2c(C(=O)O)cccc12 587638112 UDYNPTLVUGOCOA-UHFFFAOYSA-N 345.301 3.522 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N(C)C 587866868 REWUNTHIEZLVGY-UHFFFAOYSA-N 343.374 3.662 0 1 EHAF CC[C@]1([C@@H]2CCCNC2)NC2(CC2)Cc2ccc(Br)cc21 961617806 WIZRSXMGEZGYAK-RDTXWAMCSA-N 349.316 3.732 0 1 EHAF CCN(CC)CCNC(=O)c1cc(-c2ccoc2)nc2ccccc12 1239687042 SJIGBGAZXMQRIE-UHFFFAOYSA-N 337.423 3.566 0 1 EHAF C[C@H](NC(=O)c1c(-c2cccs2)noc1[C@@H](C)O)c1ccccc1 2356377580 FMEGJPVMCIZZKB-NWDGAFQWSA-N 342.420 3.947 0 1 EHAF CC=C(C)[C@@H]1[C@H](C)C(=O)[C@]2(O)CCC[C@H](C)[C@@H]2[C@@H]1C=CC=CC(=O)O 2356657258 ZXYZBGMCPBTWIA-DQDPWHDASA-N 346.467 3.768 0 1 EHAF Oc1n[nH]c2c1[C@H](c1ccc(F)cc1)O[C@H](CCc1ccccc1)C2 95568557 IZNJIUCXCSSYRS-APWZRJJASA-N 338.382 3.918 0 3 EHAF Cc1ccc(-n2cnc3cc(C(=O)NC[C@@H]4CCCO4)ccc32)c(C)c1 216272 UGCOLLSRZKOBER-KRWDZBQOSA-N 349.434 3.551 0 1 EHAF CCOP(=O)(NC(=S)NC12CC3CC(CC(C3)C1)C2)OCC 5838817 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COc1cc(N2C(=O)C3=C(CCCC3)[C@@H]2OC)c(F)cc1Cl 103207265 LXMHMVANIPQRLB-INIZCTEOSA-N 325.767 3.677 0 1 EHAF O=C1[C@@H]([C@H](O)C/C=C/c2ccccc2)CCCN1Cc1ccccc1 103284484 WWGNCARHBCWSLP-ZMOVDXORSA-N 335.447 3.890 0 1 EHAF O=c1[nH]c(S)nc2nc3c(c(-c4ccc(Cl)cc4)c12)CCCC3 29057267 SFGZXQBBTFAGCW-UHFFFAOYSA-N 343.839 3.806 0 1 EHAF O=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1nonc1O 73196980 NKEASJIPNFEXOM-UHFFFAOYSA-N 349.268 3.713 0 1 EHAF Cc1cc(CC(=O)O)cc(Cl)c1Oc1cc(C(C)C)c(O)nn1 34842468 CHELBMWLOMFCBW-UHFFFAOYSA-N 336.775 3.687 0 1 EHAF Cc1ccc(N2CCc3ncnc(NCc4ccccc4C)c3C2)nc1 35077816 NPSGDTBYKGZOCT-UHFFFAOYSA-N 345.450 3.663 0 1 EHAF CCCc1cc(NC2CCN(C)CC2)nc(Nc2ccc(C)cc2)n1 45196320 PPLNTKWFGXBVCL-UHFFFAOYSA-N 339.487 3.987 0 1 EHAF COC(=O)C1=C[C@]2(c3ccc(OC)cc3[C@H](OC)[C@H]2C)[C@H]2C=C[C@H]1C2 195344613 UTUGSVCJDIQAGE-DVQOVKMYSA-N 340.419 3.576 0 1 EHAF OC1CCN(C2=Nc3ccccc3CC=C2c2ccc(F)cc2)CC1 49605572 ACBDSIMZVOGGLE-UHFFFAOYSA-N 336.410 3.952 0 1 EHAF 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CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)cs1)CC2=O 587495445 RARSENRNAJSTKQ-OAHLLOKOSA-N 346.404 3.899 0 1 EHAF COC(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2n1 587086240 YNJMKHVXUORYGP-UHFFFAOYSA-N 338.754 3.613 0 1 EHAF C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)[C@H]1C 587818172 CIXSPRCMHHXJHP-VTVITOLOSA-N 340.236 3.563 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cccc4cnccc14)[C@@H](C2)C3=O 587436998 VHUYWHRNYULSJR-UWJYYQICSA-N 331.371 3.906 0 1 EHAF O=C(n1ncc2ccc(Cl)cc2c1=O)C12CC3CC(CC(C3)C1)C2 587652085 KVKTWULZRQYPTC-UHFFFAOYSA-N 342.826 3.907 0 1 EHAF Nc1ncnc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc12 587094604 DMOVEVAHRCUPPV-UHFFFAOYSA-N 347.222 3.640 0 1 EHAF C[C@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2c(C(=O)O)cccc12 587637698 NXVXOEBVJOXRBM-VIFPVBQESA-N 327.311 3.860 0 1 EHAF COc1cc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2cn1 587247195 JRHRQNRSXTUMSL-UHFFFAOYSA-N 344.374 3.886 0 1 EHAF O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2ccco2)cc1 1772594413 ZYFNVSJPGCVOHT-UHFFFAOYSA-N 349.386 3.924 0 1 EHAF 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0 1 EHAF Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cnccn4)cc3)[nH]c2c1 144717735 XFGLGTNMXMEMMZ-UHFFFAOYSA-N 330.347 3.694 0 1 EHAF CC(=O)O[C@@H](c1ccc(F)cc1)[C@H](Cn1ccnn1)c1ccccc1 96286430 RHGAFWMGLUFSHI-MOPGFXCFSA-N 339.370 3.505 0 1 EHAF COc1ccc(C[C@H]2C(c3cccnc3)=N[C@@H]3CC[C@H]2C3)c(OC)c1 96938711 GPGGKQZICYGAAI-POZUXBRTSA-N 336.435 3.929 0 1 EHAF Cn1ccc([C@H]2CC(O)=C(Sc3ccccc3Cl)C(=O)O2)n1 299838384 QHPANKXLSBAXCF-GFCCVEGCSA-N 336.800 3.623 0 1 EHAF COC(=O)Cc1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587783634 XXKVLOQEXFSBFS-UHFFFAOYSA-N 338.260 3.502 0 1 EHAF Cc1ccc2c3c(cc(Cn4ccnc4)nc13)-c1ccccc1C2=O 587098720 UAPNDRJIMHZSNP-UHFFFAOYSA-N 325.371 3.999 0 1 EHAF Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)co1 587775486 RBWRGBYUSFQHTO-UOWDBTKRSA-N 325.181 3.508 0 1 EHAF COc1cc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2cc1Cl 587927447 QTLAWNXYXBGNTA-UHFFFAOYSA-N 332.787 3.833 0 1 EHAF CC(C)(C)OC(=O)N1C[C@H]2c3nc4cccc5c4c(c3C[C@H]2C1)CC5 587213071 SSPZOYMOYZGDAD-XJKSGUPXSA-N 336.435 3.840 0 1 EHAF 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COc1ccc2c(c1)[C@]13CCN(CC4CCC4)[C@@H](C2)[C@H]1CCC(=O)C3 101226983 NNUUOAQJUHMLDS-HJNYFJLDSA-N 339.479 3.733 0 1 EHAF O=C(c1ccccc1)c1cc2c(c(Cl)c1Cl)O[C@H](C(=O)O)C2 27996999 WPKGIOAVBVRQFW-NSHDSACASA-N 337.158 3.613 0 1 EHAF CCC(=O)N1CC[C@]1(C)C(=O)Nc1cccc(Oc2ccccc2)c1 61905018 SCDNBDHNUZVLPN-HXUWFJFHSA-N 338.407 3.818 0 3 EHAF COC(=O)[C@@H](c1ccc2c(c1)OCO2)c1cc(C)nc2ccccc12 26818234 GTTDDHFXENWZAW-IBGZPJMESA-N 335.359 3.577 0 1 EHAF COc1ccc(-c2noc([C@H](C)NCC3CCCC3)c2C(=O)O)cc1 2356553289 UEUJYMKBKXXCTG-LBPRGKRZSA-N 344.411 3.889 0 1 EHAF CC1(C)C(Br)=C[C@H](O)[C@@]2(C)O[C@@H]3C[C@@]12CC[C@]3(C)Cl 2356585122 DQGHGRXDZHRTFQ-RDCQKDKRSA-N 349.696 3.991 0 1 EHAF COc1cc(CC[C@H](O)CCC=Cc2ccc(O)cc2)ccc1O 2356623038 RDXGNAHMAOEPKS-QGZVFWFLSA-N 328.408 3.894 0 1 EHAF Cc1ccc(-c2nc3ccccc3c(=O)n2CC(=O)C(C)(C)C)cc1 34860601 YPQDVZKJTFMZSX-UHFFFAOYSA-N 334.419 3.987 0 1 EHAF CC(=O)Nc1cc(N)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1 95576640 BMVDRHIIZZFEIJ-UHFFFAOYSA-N 343.390 3.833 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(CP(=O)(OC)OC)CC2=O 587487147 NARWSATZTPXAAH-MRXNPFEDSA-N 342.328 3.555 0 1 EHAF COc1cc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 587372670 ADKKKDWHJRCDHF-HNNXBMFYSA-N 333.771 3.651 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCCc4ccc(Cl)nc41)[C@@H](C2)C3=O 587421735 RITJIZXLSSOSGF-DJJJIMSYSA-N 341.794 3.723 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CC(C)(C)O4)[C@@H](C2)C3=O 587455031 HSVDIRLGYODOSO-YWZLYKJASA-N 336.387 3.897 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1c(F)cc(F)cc1Cl 587651996 SHPRXHSMHHRQEH-UHFFFAOYSA-N 327.117 3.971 0 1 EHAF C[C@H](Sc1ncccn1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586961675 KQBFVRDMXUNJEC-YFKPBYRVSA-N 328.294 3.763 0 1 EHAF CCC1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)COC1 587831918 AKNDCXMEHQTUNA-MEBBXXQBSA-N 342.252 3.764 0 1 EHAF Cc1ccc2c(ccc3nc(CCC(=O)c4ccc(N)cc4)[nH]c32)n1 587251222 CJIGCXMWQSMFQE-UHFFFAOYSA-N 330.391 3.817 0 1 EHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(F)cc(F)c4[nH]1)(C3)C2 587949953 FNOBVNQJNMJBKE-ORMMXULVSA-N 346.377 3.995 0 1 EHAF OCc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587091612 MNYJSCRNNBIIJQ-UHFFFAOYSA-N 339.342 3.772 0 1 EHAF O=C(O)c1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1F 587084169 ILTBIYGMPVWUEW-UHFFFAOYSA-N 331.734 3.529 0 1 EHAF CC[C@@]1(CSC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605394 CJRAAWWQFBDABZ-QAPCUYQASA-N 330.405 3.866 0 1 EHAF Cc1cc(F)c2[nH]c([C@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c1 587173253 AOJMKGUGGAJADM-SFHVURJKSA-N 328.318 3.778 0 1 EHAF COC(=O)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1OC 587042026 GVDAZXJIBDFKDD-CQSZACIVSA-N 340.404 3.748 0 1 EHAF CSc1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 586968875 RHDLDXMEJDRMSK-UHFFFAOYSA-N 331.422 3.670 0 1 EHAF Cc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1F 587174716 RQBMWDWHIHEOBQ-SFHVURJKSA-N 328.318 3.778 0 1 EHAF COc1ccc([C@@H](c2ccccc2)c2nc3ccnc(O)c3[nH]2)cc1 587937874 QSORPGMRIBVPBM-QGZVFWFLSA-N 331.375 3.852 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCCF)cc1)O2 587382921 PTLCCJICTDOLKR-IBGZPJMESA-N 329.371 3.806 0 1 EHAF Cc1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cc1Cl 587224776 JUZNSYCCSOUUGG-LBPRGKRZSA-N 343.814 3.608 0 1 EHAF Oc1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136846 XEPCLGSMBCCPJR-UHFFFAOYSA-N 325.112 3.976 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3ccnc3)nc1)CC2=O 587469844 HANCRIITQUJMCJ-SFHVURJKSA-N 349.390 3.632 0 1 EHAF Cn1c(Cl)nc(Cl)c1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963105149 VDMKGZYTGDGIPN-GWCFXTLKSA-N 340.229 3.976 0 1 EHAF C[C@@]1(C2CCCC2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962625488 COLYYVDPGSDADN-WBMJQRKESA-N 343.345 3.590 0 1 EHAF C[C@H]1CC=C(c2ccc3c(c2)C(=O)N(Cc2ncccn2)CCO3)CC1 206192057 DHKRYOBGCPJNTB-HNNXBMFYSA-N 349.434 3.715 0 1 EHAF O=C(O)c1cccc(-n2c(/C=C/C3CC3)nc3ccccc3c2=O)c1 1857600725 LQDATVFNVYFOEG-ZHACJKMWSA-N 332.359 3.507 0 1 EHAF COc1ccccc1CN=c1ccc(NCc2ccccc2OC)c[nH]1 1857621219 KHOODUFPALPYMM-UHFFFAOYSA-N 349.434 3.745 0 1 EHAF S=C(N[C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2cccc(Cl)c2)CC1 3285559 ISSFEBVKYUYWBG-VBQJREDUSA-N 349.931 3.525 0 1 EHAF c1ccc(-c2cn3c(n2)CO[C@H](CNCC2CCCCC2)C3)cc1 2356442035 MFAYNIFVXPRGAD-GOSISDBHSA-N 325.456 3.619 0 1 EHAF c1coc(-c2nc3c(OCc4ccoc4)nc4ccccc4n3n2)c1 29123973 SSBDAIJNJZAUPA-UHFFFAOYSA-N 332.319 3.710 0 1 EHAF Nc1ncnc2c1N=C1c3ccccc3CC[C@H]1[C@@H](c1ccccc1)N2 53242835 KTCUKQPCSWLKFE-DLBZAZTESA-N 341.418 3.909 0 1 EHAF O=C(O)/C(=C/c1ccc(-c2ccccc2)o1)NC(=O)c1ccccc1 28473652 KDISRIDUUZPGPA-LGMDPLHJSA-N 333.343 3.802 0 1 EHAF Cc1cc(-c2ccccc2)nnc1N1CCN(c2ccccc2)CC1 28818392 UOSFEKOLYCRZDO-UHFFFAOYSA-N 330.435 3.779 0 1 EHAF CCCC1=Nc2ncnn2[C@H](c2ccc(F)cc2)/C1=C(/O)OCC 102566024 UWTOUOQQPQIUCA-VZHUHSAUSA-N 330.363 3.699 0 1 EHAF C[C@@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 29476065 HOYGOGLDLPJTHF-HIAIUQMRSA-N 339.479 3.676 0 1 EHAF O=c1c(Oc2ccc(O)cc2)c(Cl)cnn1-c1ccc(F)cc1 66148543 WGBCOFYSMADXFB-UHFFFAOYSA-N 332.718 3.523 0 1 EHAF CC1=CCC[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@@H](C)CC(=O)[C@]13CO4 2356532203 HNNFHZJWACUQJP-RSMUXPGISA-N 328.408 3.963 0 1 EHAF CCCc1cc(O)cc(O)c1Oc1cc(O)cc2c1C(=O)O[C@@H](C)C2 2356722548 KEWYVOQXUSXFSF-JTQLQIEISA-N 344.363 3.650 0 1 EHAF COC(=O)CCCCCCCCCC[C@@]1(O)OC(=O)C(C)=C1C 2356796354 NDQZTRLESQLCHP-GOSISDBHSA-N 326.433 3.642 0 1 EHAF C[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O 5573709 HMAABAHMPJEWDJ-DWPCYHNTSA-N 342.391 3.564 0 1 EHAF biogenic Cc1ccc(-c2cnc(N)c3cc(-c4ccnc(N)n4)ccc23)cc1 45229193 WUKODKXSUVDYIX-UHFFFAOYSA-N 327.391 3.832 0 1 EHAF C[C@@H](c1c(F)cccc1F)n1cc(C(=O)NCCF)c2ncccc21 223151230 TUTUJRQZMBAECO-NSHDSACASA-N 347.340 3.623 0 1 EHAF CC(C)CNc1ncnc2c1nc(CC(C)(C)C)n2C[C@@H]1CCCO1 82178191 YJVRMNIMKDXKCI-AWEZNQCLSA-N 345.491 3.662 0 1 EHAF CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(F)cc2)O1 95567437 AVPULNFWAOMEGJ-WFASDCNBSA-N 334.416 3.792 0 3 EHAF CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C(C)C)cc2)CC1 143355143 NVOAQTGFDHEACZ-HNNXBMFYSA-N 345.487 3.969 0 1 EHAF CC1=CCC[C@@]2(C)O[C@H]2CC[C@](C)(O)C=C2OC(=O)C(C)=C2CC1 299813545 ISOHZXFJJWEPNL-YSIASYRMSA-N 332.440 3.953 0 1 EHAF Cc1ccnc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587590576 ZDJNJUXVWJVMGS-GHTZIAJQSA-N 347.370 3.973 0 1 EHAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cncc(Br)c2[nH]1 587196689 XNAAODHUPHEPHM-SNVBAGLBSA-N 345.244 3.938 0 1 EHAF CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCC2 587444085 SCPFKQZHCIPTGH-KKVAFCGZSA-N 328.408 3.551 0 1 EHAF CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)CC5 587211253 BTGBIYQDDGERJU-DZGCQCFKSA-N 336.435 3.840 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc[nH]c1C(=O)OCC)CC2=O 587480792 FNGBLVFSAHSWGS-INIZCTEOSA-N 343.379 3.556 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@H]2CCCOC2)N1 587832018 ATCKYVYDXMCYSJ-GLKRBJQHSA-N 342.252 3.980 0 1 EHAF Cc1noc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587268 NHXIFZYPFODGAQ-APWZRJJASA-N 337.331 3.700 0 1 EHAF CC(=O)O[C@@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989855 ROEXEYXFOAIVSD-JTQLQIEISA-N 333.343 3.776 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4cnccn4)c1)[C@@H](C2)C3=O 587437019 XEXTWMXOXWGSKV-HRAATJIYSA-N 344.370 3.641 0 1 EHAF Cc1cc(Cl)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 587117321 BQMUICRGBTYXGD-UHFFFAOYSA-N 328.725 3.983 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(CCc1ccccc1F)[C@@H](C2)C3=O 587426431 NNYXTJOOXLEHNW-YWZLYKJASA-N 326.367 3.973 0 1 EHAF O=C(Nc1cccc(F)c1)c1cn2cc(-c3ccccn3)ccc2n1 141164658 OFKJLNRTIQGBQJ-UHFFFAOYSA-N 332.338 3.788 0 1 EHAF CC1=C2CC/C(C)=C\CC[C@](C)(O)[C@@H](O)CC/C(C)=C\[C@@H]2OC1=O 169315252 KISXSEZMRISOQB-IACJHQFZSA-N 334.456 3.587 0 1 EHAF O=C(Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NCc1ccco1 169351989 MVGJJRSRCBLFME-UHFFFAOYSA-N 335.359 3.504 0 1 EHAF COc1ccc([C@H](C)C(=O)c2ccc(N(C)C)cc2OC)cc1OC 1857760862 ILNCTOPCXSAVKY-ZDUSSCGKSA-N 343.423 3.765 0 1 EHAF CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 2460039 MNAWVYVJBYBTFK-AFAVFJNCSA-N 342.464 3.573 0 1 EHAF Clc1ccccc1Nc1ncnc2c1nnn2Cc1ccccc1 4340531 FDZJHNXTWVLTFL-UHFFFAOYSA-N 336.786 3.667 0 3 EHAF C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(C)(C)C)CC2)CCN1c1ccccn1 101685446 CZZLAXLHICNUBR-KURKYZTESA-N 343.515 3.971 0 1 EHAF CCOC(=O)[C@]1(C)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 61903063 FVVGWAJHMJSBRO-MRXNPFEDSA-N 343.345 3.511 0 3 EHAF CCOc1ccc(CC[C@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1 35013117 XMEHOOMFXJOHHO-HXUWFJFHSA-N 330.424 3.853 0 1 EHAF Cc1cc(C(=O)N[C@H](CC(=O)O)c2ccc(C(C)C)cc2)c(C)o1 236703984 QHAACUUOYSPEHD-QGZVFWFLSA-N 329.396 3.966 0 1 EHAF N=C(N)c1ccc2[nH]c(-c3cccc(C4(O)CCCCC4)n3)cc2c1 473158220 VXVYXKAPTSJLCT-UHFFFAOYSA-N 334.423 3.666 0 1 EHAF in-vitro CCN(CC)c1ccc2nc(-c3ccccc3N(C)C)nc(O)c2c1 473147450 FGUDEHSEDZADPH-UHFFFAOYSA-N 336.439 3.915 0 1 EHAF Fc1ccc(CNC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873002 AJNUNGFZQRDPOK-UHFFFAOYSA-N 343.358 3.857 0 1 EHAF C[C@@H]1CC=CC[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587967042 KWKPGZGQBAUSPE-MWLCHTKSSA-N 344.358 3.926 0 1 EHAF N[C@H](N=O)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 587142452 ARZNNHCITLBWIV-CYBMUJFWSA-N 349.163 3.855 0 1 EHAF Cc1cnn(CCF)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509013 VTYVEMOLOGBXTG-QGZVFWFLSA-N 328.387 3.746 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3cccs3)nc1)O2 587411995 GKQZGUSKIVKKAZ-OAHLLOKOSA-N 337.404 3.802 0 1 EHAF Cc1csc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587855427 VPBBTMQFLPYACZ-FUXBKTLASA-N 341.249 3.977 0 1 EHAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(C(=O)N(C)C)cc3[nH]1)CC2 587946157 KOSXZZFMWDDNKS-AWEZNQCLSA-N 349.434 3.546 0 1 EHAF CC(=O)CCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587813804 PWJJGHSDVAFCMB-VFZGTOFNSA-N 328.225 3.923 0 1 EHAF COc1cccc([C@@H](C)Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 587932768 VOSMBOBQNPEKPI-JTQLQIEISA-N 328.343 3.755 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(CN(C)C)cs1)O2 587412136 XLIMAEFFCQHOIF-SFHVURJKSA-N 330.453 3.581 0 1 EHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)N(C)C 587859316 VSRUTFZPUMCSGD-UHFFFAOYSA-N 328.199 3.785 0 1 EHAF Cc1c(Br)cnc2nc(-c3n[nH]c4c(F)cccc34)[nH]c12 587176739 QFARYROSWOLKIK-UHFFFAOYSA-N 346.163 3.711 0 1 EHAF Cc1c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905597 VFIZJYPWLNIMER-JTQLQIEISA-N 337.301 3.915 0 1 EHAF CC(=O)N1N=C2/C(=C/c3ccccc3)CN(C)C[C@H]2[C@@H]1c1ccccc1 169331873 CSNDORMQFXNGNJ-RQEXAXHLSA-N 345.446 3.591 0 1 EHAF O=C1CCC[C@H]2C[C@H](NCc3ccc(F)cc3)CC[C@]23CCCN13 205705854 XYZXUYZRGGZPCI-ILZDJORESA-N 330.447 3.629 0 3 EHAF CC1(C)C=C(n2ccccc2=O)c2cc(Br)ccc2C1=O 15977 RPPAYKYEEXAILG-UHFFFAOYSA-N 344.208 3.723 0 1 EHAF O=C([C@@H](O)c1cn(Cc2ccccc2)c2ccccc12)N1CCCCC1 1619894 JOBPVBRVGAXFPX-NRFANRHFSA-N 348.446 3.736 0 1 EHAF COc1cc(C=CCO)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C 2356392765 OGQCHHKOBZTHRP-HXPMCKFVSA-N 340.375 3.667 0 1 EHAF CC(C)(C(=O)O)[C@H]1CC[C@]23C=C[C@@](C)(C2)C(=O)C[C@@H]3[C@]1(C)CC(=O)O 2356480067 NTNYEJFDYFYWKG-YMUGRLSASA-N 348.439 3.530 0 1 EHAF O=C(NCCC1=CCCCC1)c1nnc(Cc2ccc(Cl)cc2)o1 6820959 LNUACKUIPSBWRT-UHFFFAOYSA-N 345.830 3.934 0 1 EHAF O=C(O)COc1ccc(-c2csc(NCc3ccccc3)n2)cc1 53230770 LJGWBNKPFPUXRO-UHFFFAOYSA-N 340.404 3.886 0 1 EHAF OC1CCC(Nc2ccn3nc(-c4cccc(Cl)c4)cc3n2)CC1 61904681 YAJXHAKQMDJIAG-UHFFFAOYSA-N 342.830 3.765 0 3 EHAF CC1=NN(CCOc2ccc3c(c2)Sc2ccccc2N3)C(=O)C1 27656635 LFIHTKRASSOFIZ-UHFFFAOYSA-N 339.420 3.882 0 1 EHAF O=C(N[C@H]1C=CC=CN1)N(CC1CCCC1)c1ccc(F)c(F)c1 28120679 SOHZGZPPOZASET-KRWDZBQOSA-N 333.382 3.670 0 1 EHAF C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)[C@@H](C#N)C[C@@]43C)[C@@H]1CC[C@@H]2O 31821015 OWPZGBFPVXSVIP-GRRYDIMGSA-N 329.440 3.515 0 1 EHAF COc1cc(F)ccc1-c1ccc2c(c1)N(CC1CC1)C(=O)COC2 74375732 RSYYRTOCUYELHJ-UHFFFAOYSA-N 341.382 3.775 0 3 EHAF CN1CCN(C2=Nc3ccc(F)cc3CC=C2c2ccccc2)CC1 40631577 ULRHCBYKCZQPOY-UHFFFAOYSA-N 335.426 3.743 0 1 EHAF COC(=O)[C@]12C=C[C@@H](O)[C@H]3[C@](C)(CCc4ccoc4)[C@@H](C)CC[C@@]31C2 238742471 SMHNYOMQXSRPAD-KABBOMMNSA-N 344.451 3.745 0 1 EHAF COc1cc(/C=C/c2nnc(-c3ccccc3)o2)cc(OC)c1OC 96284432 KXQSCYVXKMHGGA-MDZDMXLPSA-N 338.363 3.933 0 1 EHAF C/C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]2C1 238768165 BTWJKKIMLXVHOF-QXCVISESSA-N 332.440 3.953 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](Cc1ccc(Br)cc1)O2 587372237 OSUDUOZCZPSDOE-CYBMUJFWSA-N 346.224 3.916 0 1 EHAF COc1cc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1OC 586887733 IZDQPAUQIAGAOD-KZULUSFZSA-N 326.396 3.726 0 1 EHAF Cc1c(Br)cc2nc(-c3cc(N)c(N)cc3F)[nH]c2c1C 587135984 JGHCQOWDKBQJPR-UHFFFAOYSA-N 349.207 3.913 0 1 EHAF COC(=O)c1ccnc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc12 587073784 MZQHPOIJLJRLIC-UHFFFAOYSA-N 341.798 3.672 0 1 EHAF COc1ccc(CCCc2nc3c(C)nc(C)cc3[nH]2)c(OC)c1 587929666 ZRSYZOOIRZOAAN-UHFFFAOYSA-N 325.412 3.767 0 1 EHAF C[C@@H]1O[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 586918835 QOBKJRUYHZKRGM-AJAUBTJJSA-N 331.995 3.548 0 1 EHAF CC(C)(C)Oc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)c(N)cc1F 587135679 AYWBHARDLICAQZ-UHFFFAOYSA-N 343.358 3.857 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C(=O)OCC)C(C)C)CC2=O 587476906 BMDZDMGYHBZSDQ-XLIONFOSSA-N 348.439 3.904 0 1 EHAF Cn1ncc2c1CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587104412 GYSXNKMSQLKPCE-UHFFFAOYSA-N 337.382 3.945 0 1 EHAF COc1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587081343 ZGVYSCWYGZDSEK-ZDUSSCGKSA-N 340.814 3.949 0 1 EHAF COc1ccc2c(c1)[C@H](c1cc(OC)c(C)cc1OC)N[C@H]1CC[C@H]21 962998257 UBSIZZRYUKKWSW-FYINFDKHSA-N 339.435 3.959 0 1 EHAF Clc1cc(Cl)c2c(c1)[C@H](c1ccc(-n3ccnc3)nc1)NCC2 963113281 QPBJDEOTZNBBHR-KRWDZBQOSA-N 345.233 3.809 0 1 EHAF Cc1c(F)ccc2c1[C@@H](CCNC(=O)OCc1ccccc1)NCC2 962096073 ZQNUKFSCWKUHQV-GOSISDBHSA-N 342.414 3.637 0 1 EHAF Cc1nc(N2CCCC[C@H]2CN(C)C)c2[nH]c(-c3ccccc3)cc2n1 13835009 DRPLTFIHCZOFME-KRWDZBQOSA-N 349.482 3.854 0 1 EHAF CCCCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1 13942592 AYBKONWHYJQPOG-QXGSTGNESA-N 339.435 3.957 0 1 EHAF C=Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1COc2ncccc21 205615964 AOUAOQLBLIAOBQ-CQSZACIVSA-N 349.217 3.824 0 1 EHAF COc1ccc2[nH]cc(CCNc3ncncc3-c3ccoc3)c2c1 4265102 UIUWSOROOZKWMI-UHFFFAOYSA-N 334.379 3.881 0 1 EHAF COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 103215765 MIZWBLAYAFVOAR-MAUKXSAKSA-N 333.472 3.693 0 1 EHAF COc1ccccc1[C@H]1N[C@@H](c2ccccc2OC)[C@@H](C)C(=O)[C@H]1C 58099757 NLSCCGAGHJFEOU-YKLJGAPNSA-N 339.435 3.931 0 3 EHAF O=C(c1ccc2c(c1)C=NC2)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 100620915 JWZQINPTJQEIHC-RTWAWAEBSA-N 330.431 3.954 0 1 EHAF CN(Cc1ccccc1)C(=O)c1ccc(C(=O)C(F)(F)F)s1 29069825 CEBFXUYKCDHZEP-UHFFFAOYSA-N 327.327 3.765 0 1 EHAF CO[C@H](CCCCCCCC(=O)O)[C@@H](O)CCCCCCCCO 2356572247 UWTPUSJSDRVPPI-ZWKOTPCHSA-N 346.508 3.901 0 1 EHAF COC(=O)[C@]12C=C[C@@H]1[C@@H]1[C@](O)(CC[C@@H](C)[C@]1(C)CCc1ccoc1)C2 2356587946 DIESKYKUAGQRNF-RNRNKECWSA-N 344.451 3.745 0 1 EHAF COc1ccc(-c2cncn2-c2cc(OC)c(OC)c(OC)c2)cc1 28604266 UJOMKZPXJHLOAT-UHFFFAOYSA-N 340.379 3.574 0 1 EHAF O=C(N1C[C@@]23C=C[C@@H](C[C@@H]2CC12CCCCCC2)O3)C(F)(F)F 4402452 ZPQKAJRADSHHCE-WWGRRREGSA-N 329.362 3.588 0 1 EHAF biogenic Cc1nc2nc(N)nc(N)c2c(C)c1Cc1c(Cl)cccc1Cl 45189675 APOHSIQTGULSIJ-UHFFFAOYSA-N 348.237 3.704 0 1 EHAF C[C@H]1CCC[C@@H]1N1CCC(NC(=O)c2ccc3ncsc3c2)CC1 84726227 XOHLDIYTFDIWAV-GUYCJALGSA-N 343.496 3.679 0 1 EHAF COc1ccc(C[C@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1C 45187113 MJWDZKNNOLMQIR-KSSFIOAISA-N 333.859 3.911 0 1 EHAF CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@@]1(C)c1ccccc1 49051448 FHKCLMZCIFJHAY-KRWDZBQOSA-N 329.425 3.680 0 1 EHAF Cc1c(C(=O)NCCCCc2ccncc2)nn(C)c1-c1ccccc1 473086938 IWMPGBUANZVFMV-UHFFFAOYSA-N 348.450 3.543 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1F 587568308 HMDTWVRWMPKQLI-QFBILLFUSA-N 337.306 3.629 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC[C@H]2CCOC2)N1 587832257 BCZWJKAZMFRAQB-OHUAYANFSA-N 342.252 3.980 0 1 EHAF Nc1cnc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)nc1 587252920 SZHHGXVPHWEJGF-UHFFFAOYSA-N 344.403 3.879 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCCCC2=O)[C@@H]1c1ccc(F)cc1 587351551 KDCYUVLZJZCTKH-QUCCMNQESA-N 340.350 3.772 0 1 EHAF COC[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352313 WWXURHQEXCBQBE-GCKAQTDUSA-N 344.382 3.931 0 1 EHAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(=N)[nH]cc3[nH]2)c1 587158375 DJRPCFGZEDTUGY-UHFFFAOYSA-N 348.381 3.776 0 1 EHAF Cc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1F 587174715 RQBMWDWHIHEOBQ-GOSISDBHSA-N 328.318 3.778 0 1 EHAF COc1ccc(/C=C\Cc2nc3ccc(C(=O)O)cc3[nH]2)c(OC)c1 587929005 JJAHWWPDEYIMGF-ARJAWSKDSA-N 338.363 3.534 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCn3cccc32)N1 587768957 FHGXBGQVXVSPHX-APPDUMDISA-N 349.247 3.961 0 1 EHAF COC(=O)[C@H](C)c1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990332 CUVCEYMLUSHGTN-SNVBAGLBSA-N 347.370 3.737 0 1 EHAF O=C(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)OCc1ccccc1 587781277 HTXAGUIPNYPMAL-UHFFFAOYSA-N 336.725 3.780 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3nn(C)cc13)CC2=O 587477343 QPBBVSOUFOZRFL-LJQANCHMSA-N 336.391 3.938 0 1 EHAF CC(=O)c1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2c1 587116629 JUCPJGXFFKNVRX-UHFFFAOYSA-N 342.708 3.838 0 1 EHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(C)n1 587868967 YJNSPGXJJWICJW-UHFFFAOYSA-N 334.301 3.665 0 1 EHAF Cc1cc(Br)cc2nc(Cc3cc(N)ccc3F)[nH]c12 587141655 YXAHPTVLJRCAFB-UHFFFAOYSA-N 334.192 3.946 0 1 EHAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1S 587410031 KMWBYBRFRVCKSU-GOSISDBHSA-N 329.421 3.755 0 1 EHAF COc1c(F)ccc(F)c1-c1nc2ccc(Br)nc2[nH]1 587132661 HUXGBTDJMYFBIT-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF Cc1ncccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587767853 BKSGYABPQUOSBV-JDNHERCYSA-N 335.220 3.915 0 1 EHAF Cc1c(F)ccc2c1[C@H](CCNC(=O)OCc1ccccc1)NCC2 962096074 ZQNUKFSCWKUHQV-SFHVURJKSA-N 342.414 3.637 0 1 EHAF CC(=O)OC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@H]34)[C@@]2(C)CCC1=O 27651760 LRXSFNGKRCOHRS-COWMIZEISA-N 344.451 3.978 0 1 EHAF C[C@@H]([C@@H](O)c1ccc(Cl)cc1)N1CCC(O)(c2ccccc2)CC1 13742669 LRFSGVXACTZKQI-HNAYVOBHSA-N 345.870 3.746 0 1 EHAF Cc1nn(C)c2nc3ccccc3c(NCCCN3CCCCC3)c12 169329170 UGDSACXYACHDGN-UHFFFAOYSA-N 337.471 3.718 0 1 EHAF CSc1nn(-c2ccccc2)c2cc(NC3CCNCC3)ccc12 169706029 DLTWXRYQGGWWFR-UHFFFAOYSA-N 338.480 3.911 0 1 EHAF COc1ccccc1N1CCN(CC[C@H](N=O)c2ccccc2)CC1 169717037 HHOMYFRSRZWYOK-SFHVURJKSA-N 339.439 3.715 0 1 EHAF C[C@H](O)[C@@H](C)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F 204420634 NTFWRHSZUUKNBH-MNOVXSKESA-N 342.336 3.765 0 1 EHAF Cn1cc(-c2ccc(Cn3cc(-c4ccccc4F)nn3)cc2)cn1 1857568526 WYMDWWZXERLYKQ-UHFFFAOYSA-N 333.370 3.533 0 1 EHAF CCOc1ccc2nccc([C@@H](O)[C@H]3C[C@H]4CCN3C[C@@H]4CC)c2c1 402901 SUWZHLCNFQWNPE-REABXYAWSA-N 340.467 3.787 0 1 EHAF in-vitro O=C1[C@@H]2CC[C@@H]3C(=O)C(Cl)(Cl)[C@@H]3CC[C@@H]2C1(Cl)Cl 1642228 OJSQVYQBBPSAHU-SOSBWXJGSA-N 330.038 3.538 0 1 EHAF Nc1ccc2ncnc(NCCc3ccc(Br)cc3)c2c1 3629249 DOFNBYNJSFTVKW-UHFFFAOYSA-N 343.228 3.629 0 1 EHAF CCn1c2ccccc2c2nnc(N3CCc4ccccc4C3)nc21 6781646 CEDCFTWQCCHHHA-UHFFFAOYSA-N 329.407 3.562 0 1 EHAF COc1cc2[nH]c(-c3ccc(O)cc3)cc(=O)c2cc1-c1cnco1 13487590 LAZMBVWHUPTDFC-UHFFFAOYSA-N 334.331 3.564 0 1 EHAF CC(C)(C)c1cc(C(=O)C[S@](=O)CC2CC2)cc2c1OCC2(C)C 13779215 ITPACPHPCYAFQJ-DEOSSOPVSA-N 348.508 3.996 0 1 EHAF Cc1ccc(S(=O)(=O)N(C)C(=O)Nc2ccc(Cl)cc2)cc1 26474339 DVMVNOQCJFMJSV-UHFFFAOYSA-N 338.816 3.501 0 1 EHAF O=CNc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1 26673029 HVCRJAYQLJBJLJ-UHFFFAOYSA-N 327.771 3.692 0 1 EHAF CO[C@@]1(C)C[C@H](c2ccccc2)c2c(c3ccc(O)cc3oc2=O)O1 27558862 MELHIKRKNJZGHR-FOIQADDNSA-N 338.359 3.776 0 1 EHAF CC(C)[C@@H]1c2ccc(O)cc2C[C@@H]2C(=O)N(C3CCCCC3)C(=O)N21 45301472 WNTLCYJHJNHJFK-QZTJIDSGSA-N 342.439 3.611 0 1 EHAF CO[C@@H]1Cc2ccccc2[C@@]2(CCCN(CCc3ccccc3)C2)O1 53297837 MPYFPWRZHBPIGT-VXKWHMMOSA-N 337.463 3.766 0 1 EHAF C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(OS(N)(=O)=O)ccc3[C@H]1CC2 72283444 HNLBHJBMLWFWSC-BDXSIMOUSA-N 335.469 3.515 0 1 EHAF OCC[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 84757461 PXEFDQVJBIBEJQ-KRWDZBQOSA-N 343.492 3.563 0 1 EHAF Cc1cc(C)n2ncc(C(=O)N[C@H]3CC[C@H](C(C)(C)C)CC3)c2n1 103020084 MCQYBGOYJAACFA-GASCZTMLSA-N 328.460 3.681 0 1 EHAF CCOc1cc2nnnc(Nc3ccc(F)c(Cl)c3)c2cc1OC 118206109 FRNGENZXTFNOCW-UHFFFAOYSA-N 348.765 3.968 0 1 EHAF C[C@H]1C(=O)S[C@](C)(Cc2ccc(C(=O)c3ccccc3)cc2)C1=O 169720214 GYDRFPNNAMYDNO-ZUOKHONESA-N 338.428 3.697 0 1 EHAF COC(=O)c1cc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1OC 586883066 GCJOZQJKKBEVKM-WKQBDYJTSA-N 340.423 3.826 0 1 EHAF Clc1ncc(I)c2nc(C3=CCCC3)[nH]c12 586884173 OLIHJLURXKUGRX-UHFFFAOYSA-N 345.571 3.783 0 1 EHAF CCS(=O)(=O)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586887682 HEURNGFYPNBSGI-AEVLCDIHSA-N 344.480 3.824 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1 586915493 DQPQFKNJVLZNKM-VLIAUNLRSA-N 346.390 3.656 0 1 EHAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc4cn[nH]c4cc3[nH]2)s1 587014706 OYXXGAPMBAZFQE-VIFPVBQESA-N 327.413 3.969 0 1 EHAF Cc1cnc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 587042819 MUCSBJBZRTWKMY-CYBMUJFWSA-N 344.827 3.575 0 1 EHAF Cc1ccnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 587076736 OJLIUOLEIZNTGG-UHFFFAOYSA-N 339.786 3.755 0 1 EHAF COc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1C 587156747 PPBCPIQEYKLPSV-IBGZPJMESA-N 339.370 3.810 0 1 EHAF Fc1cccc(Cn2nnc(-c3nc4cccc(F)c4[nH]3)c2Cl)c1 587161311 MOFRLKAMRXEBLU-UHFFFAOYSA-N 345.740 3.801 0 1 EHAF Fc1ncc(Br)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 587177861 CVNCBUDUCXAHJK-UHFFFAOYSA-N 345.534 3.714 0 1 EHAF CCOC1CC([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587603083 ZUYLXMBEWMJMNO-JCICTMNESA-N 340.375 3.538 0 1 EHAF CC(=O)CCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587809691 AWBUJQOJOMYPFS-RNCFNFMXSA-N 328.225 3.923 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COC2(C)C)N1 587835685 XRCFLCKXLWKLRS-BJOHPYRUSA-N 326.209 3.640 0 1 EHAF COc1ccc(/C=C\Cc2nc3cc(Cl)ncc3[nH]2)c(OC)c1 587928634 GMOFCJNNASRINT-ARJAWSKDSA-N 329.787 3.884 0 1 EHAF COc1cc(C)c(OC)n1CC1CCN(Cc2ccc(F)cc2)CC1 587947235 UDOQDLGRJPZHMF-UHFFFAOYSA-N 346.446 3.865 0 1 EHAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587952108 LYLUDCIZZFAUHI-MKBNYLNASA-N 343.427 3.940 0 1 EHAF O=C1c2ccccc2C(=O)N1Nc1nc(-c2ccc(F)cc2)cs1 653700513 QREXNSCBVAUQLJ-UHFFFAOYSA-N 339.351 3.572 0 1 EHAF Cc1cc2c(cc1F)[C@]1(C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)NCC2 962095819 XNGXMLMEUKANBH-BJLQDIEVSA-N 343.446 3.500 0 1 EHAF O=C(C1CCN(c2ccccc2)CC1)N1N=CC[C@H]1c1ccccc1 1857592645 REVOJJXKVWMXFV-FQEVSTJZSA-N 333.435 3.862 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H]1C(=O)C[C@@]3(C(C)C)CC[C@@]12O3 2356507011 OEGVTAZVZYUFGW-CFQJVYONSA-N 348.483 3.909 0 1 EHAF COc1cc2c(cc1OC)[C@H]1CC(=O)C[C@@H](c3ccccc3)N1CC2 2356842691 MXHIARMXHDFQBN-RBUKOAKNSA-N 337.419 3.707 0 1 EHAF COC[C@@H]1CCCN(Cc2c[nH]nc2-c2cc3ccccc3o2)C1 12316960 FTECPQPNOZGHIP-CQSZACIVSA-N 325.412 3.681 0 3 EHAF CSc1ccc(CN2C(=O)[C@H](C)ON=C2c2ccccc2F)cc1 61905213 LTIYIRXFNSUUHK-LBPRGKRZSA-N 344.411 3.657 0 3 EHAF COc1cccc(-c2cnc3c(NC=O)cc(-c4ccncc4)cn23)c1 61929034 CJKYMQOYWSLMQU-UHFFFAOYSA-N 344.374 3.640 0 3 EHAF COc1ccc(-c2cc(CCCC(=O)NCc3ccco3)no2)cc1 4937950 PMEIHMSOTHASTM-UHFFFAOYSA-N 340.379 3.582 0 1 EHAF O=C1c2cccc(O)c2N[C@@H](c2c[nH]c3ccccc23)[C@@H]2CC=CN12 2356327949 LPMXORSOJRRADU-WMZOPIPTSA-N 331.375 3.769 0 1 EHAF Nc1nc2ccc(O)nc2n1-c1ccc(Cl)c(Cl)c1Cl 118272636 CGXUJWWYPFUIEM-UHFFFAOYSA-N 329.574 3.669 0 1 EHAF CO[C@@]12CC[C@H](O)[C@@](C)(CC[C@@H]3C(=CC=CC(C)C)COC(=O)[C@H]31)C2 2356559382 IKHSDIHGAKFQFO-WQBVUOOHSA-N 348.483 3.644 0 1 EHAF CC(=CCC[C@]1(C)c2c(c3c(C)cc(O)cc3oc2=O)O[C@@H]1C)CO 2356640808 RLMJKQCFPTZLDT-XCLFUZPHSA-N 344.407 3.564 0 1 EHAF O=c1c(Cl)c(Cl)cnn1/C=C/c1ccc(Br)cc1 84668397 WSSOCZPDULUWRO-AATRIKPKSA-N 346.011 3.941 0 1 EHAF O=C(CCC(F)(F)F)N1CCC(c2nc(C3CCCC3)no2)CC1 82155753 VCBIAUIZNRZANE-UHFFFAOYSA-N 345.365 3.776 0 1 EHAF CC1=CN([C@H]2OC(=O)[C@H]3[C@@H](CC[C@H]3C)[C@H]2C)C(=O)[C@H]2[C@@H](C)CC[C@@H]12 86020734 QTRZXLVUEGDULY-DFLSQRSBSA-N 331.456 3.576 0 1 EHAF in-man COc1nc2ccccc2n1Cc1ccc(-c2cnn(C)c2)cc1F 95596328 ACWMPZVHNWDMQS-UHFFFAOYSA-N 336.370 3.633 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CNC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 253635857 UOHCSROFYMVISA-FTHRUDGRSA-N 347.499 3.687 0 1 EHAF Cc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c(Cl)c1 299863608 LFKQJCGZCZFREB-DLBZAZTESA-N 340.810 3.818 0 1 EHAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(Br)c(O)c3[nH]1)C2 586883763 DLXFVTRSJDNLMA-GUBZILKMSA-N 347.212 3.670 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1scc3c1OCCO3)CC2=O 587492969 DOLKKRIYJSCSLT-AWEZNQCLSA-N 346.404 3.884 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)cc(O)n3C)O2 587391653 SXIGJUNHGRPDIU-FQEVSTJZSA-N 336.391 3.655 0 1 EHAF COc1nccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074862 DTMNRRPIZDIKGU-OAHLLOKOSA-N 342.830 3.957 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(C=COc3cc(O)ccc31)CC2=O 587486321 KMCAFFJMHRIXOJ-HXUWFJFHSA-N 338.359 3.817 0 1 EHAF N=c1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c[nH]1 587158081 IPHZHLSZLDKCHP-UHFFFAOYSA-N 332.338 3.656 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1nc4ccc(C)cc4[nH]1)[C@@H](C2)C3=O 587438331 NPTMLWREIPSEOI-RNODOKPDSA-N 334.375 3.543 0 1 EHAF Nc1cc(F)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1N 587135740 CGLVGYOQZKDPDH-UHFFFAOYSA-N 328.244 3.691 0 1 EHAF Cc1ccc(/C=C\c2nc3nc(Br)c[nH]c-3n2)cc1F 587146364 JNBPQTVPIWZLGJ-PLNGDYQASA-N 333.164 3.685 0 1 EHAF CCCCOc1cc2nc([C@H](N)[C@@H](C)F)[nH]c2cc1Br 587124789 PCEPBNWEKNNCCX-AMIZOPFISA-N 344.228 3.862 0 1 EHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccccc2[nH]1 586972606 IWGANCMHYGZHGA-QGZVFWFLSA-N 325.437 3.674 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)O[C@H](C)CC)CC2=O 587485715 QNCNUDOJPJEGHS-CWTRNNRKSA-N 334.412 3.800 0 1 EHAF CS(=O)(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 586950451 HJXIXELSJRESJW-UHFFFAOYSA-N 337.404 3.755 0 1 EHAF CC(C)(SCc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)O 586957904 ASGYGVIZXJWRJF-UHFFFAOYSA-N 334.319 3.558 0 1 EHAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CC(C(=O)O)C[C@H]2C1 587478268 AJQKNSXXOHWQNG-ZLHLQJQBSA-N 344.407 3.570 0 1 EHAF CO[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587806437 AVUQPGPKNAHZNJ-OWRWGESLSA-N 342.252 3.907 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ncc(Cl)cc1Cl)[C@@H](C2)C3=O 587417595 CPJGCLWCPGVGDU-QFYYESIMSA-N 336.174 3.886 0 1 EHAF O=C(Cc1ccccc1)c1c(CO)oc2cc(Br)cnc12 587274100 SNZULDAEQURBOE-UHFFFAOYSA-N 346.180 3.508 0 1 EHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CCN(C)C 587860276 PUPIUGAFJKCXOA-UHFFFAOYSA-N 328.243 3.817 0 1 EHAF CCCCOc1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2cc1Br 587124792 PCEPBNWEKNNCCX-OQPBUACISA-N 344.228 3.862 0 1 EHAF O=C(O)CCc1c(C(=O)O)[nH]c2cc(-c3ccc(F)cc3)ccc12 206122393 LBGYRNMKIAZKER-UHFFFAOYSA-N 327.311 3.689 0 1 EHAF CCN(CC)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 5840585 MLXWQKSIRZGJRJ-UHFFFAOYSA-N 339.468 3.792 0 1 EHAF C[C@@H](c1cccc(C(F)(F)F)c1)[S@](=O)c1ccc(C(=O)O)nc1 169337695 RAFHDDVDIRXOMJ-KLVQOETNSA-N 343.326 3.667 0 1 EHAF CN1CCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C1=O 206199334 KUHUMCDEXJPABV-UHFFFAOYSA-N 337.297 3.717 0 1 EHAF Cc1cnc(Nc2ccc(N(C)C)cc2)nc1Nc1cc(C2CC2)[nH]n1 203004913 KZZMCJYADBLOBD-UHFFFAOYSA-N 349.442 3.939 0 1 EHAF Fc1ccccc1-c1cn(Cc2ccc(-c3cncnc3)cc2)nn1 1857559452 MXEHLGSSZLWMBO-UHFFFAOYSA-N 331.354 3.590 0 1 EHAF COc1cccc(-c2cc(C(F)(F)F)nc(-n3ccnc3C)n2)c1 426660 YRWTXQWLCYCAGZ-UHFFFAOYSA-N 334.301 3.665 0 1 EHAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2cccc(OC)c2)cc1 100097841 FTKZFMXZQBTXPH-NDUMWNPXSA-N 334.463 3.668 0 1 EHAF CN1[C@@H]2CC[C@@H]1[C@H]([C@H](O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 101192035 FSULAQVXMVICFX-RYPNDVFKSA-N 333.781 3.830 0 1 EHAF COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@@H]1N2C 26579559 OVLMCLBVTLFJPW-YGRLFVJLSA-N 326.223 3.787 0 1 EHAF O=C1c2c(O)cccc2C(C(=O)c2cccs2)c2cccc(O)c21 27553707 HEMMZMCZJCJRME-UHFFFAOYSA-N 336.368 3.719 0 1 EHAF Cc1ccc(Cl)cc1-c1cc(C(=O)NCc2ccccc2)[nH]n1 61895705 ZZWDWBVZQSWFJR-UHFFFAOYSA-N 325.799 3.969 0 3 EHAF COc1ccc(Nc2nc(-c3ccc(OC)nc3)cn3ccnc23)cc1 64548349 LXDRPARBQAYQBX-UHFFFAOYSA-N 347.378 3.552 0 1 EHAF CN1CCc2c3n(c4cc(Br)ccc24)[C@@H](O)CCC[C@@H]31 13372074 SEKCREXSGCGPFK-ZFWWWQNUSA-N 335.245 3.608 0 1 EHAF biogenic COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN(C)C3)cc12 226060361 OZWHCAZDQNMMES-LBPRGKRZSA-N 325.387 3.797 0 1 EHAF CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1C1CCCC1 1911572276 SUQGWEJUOUSURJ-QGZVFWFLSA-N 325.412 3.684 0 1 EHAF O=C(Nc1cccc(-c2cnco2)c1)C(=O)c1c[nH]c2ccccc12 45244881 KWMKKFDVRFNOOL-UHFFFAOYSA-N 331.331 3.644 0 1 EHAF O[C@H](CSc1nc2ccccc2s1)C[C@H](O)c1ccccc1 95785019 JMWBBAHHMDMYOL-ZFWWWQNUSA-N 331.462 3.873 0 1 EHAF CCNc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1O2 473088067 HVFIHGPNQYOSLN-FQEVSTJZSA-N 333.391 3.689 0 1 EHAF COc1cc2c(cc1F)[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 587384828 PJBDXOHLXUQDTH-LJQANCHMSA-N 327.355 3.532 0 1 EHAF N[C@@]1(c2nc3cccc(Br)c3[nH]2)C[C@@H]1c1ccccc1F 587154101 CVFSJRAGQHLVPZ-HWPZZCPQSA-N 346.203 3.806 0 1 EHAF Oc1cccc2c1OCC(c1nc3nc(Cl)c(Cl)cc3[nH]1)=C2 586907960 LELPPRRSVBVWRW-UHFFFAOYSA-N 334.162 3.903 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccs2)N1 587855251 TXXFLSSITVSWJJ-XLKFXECMSA-N 341.249 3.842 0 1 EHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 587784262 GOAWOZCUJGWAMZ-RYUDHWBXSA-N 327.771 3.555 0 1 EHAF O=C(CCc1ccccc1)c1nc2c(O)c(Br)ccc2[nH]1 587953965 XXPJEKIMQCYTGI-UHFFFAOYSA-N 345.196 3.847 0 1 EHAF O=C1CCc2cc3nc(COC/C=C/c4ccccc4)[nH]c3cc2N1 587780829 JLVLGWORUJQYKE-QPJJXVBHSA-N 333.391 3.678 0 1 EHAF COc1cc(-c2nc3cc(=N)[nH]cc3[nH]2)cc(Cl)c1OCC(C)C 587046386 QYCTXTXAKZGODI-UHFFFAOYSA-N 346.818 3.734 0 1 EHAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(O)ncnc2[nH]1 587012802 UXNOOWUEHMNQRA-UHFFFAOYSA-N 343.799 3.811 0 1 EHAF CC(C)Oc1cc2nc([C@@](C)(O)C(C)C)[nH]c2cc1Br 586893519 ZVZUXLNZYGWVSV-HNNXBMFYSA-N 341.249 3.976 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2F)N1 587728698 FXUSJUQGOAKPDM-AYVTZFPOSA-N 339.183 3.746 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1[C@@H]1CCC[C@H]1O 587862568 CILGRAWUELRWEW-ZIAGYGMSSA-N 326.318 3.663 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1occc1Br)[C@@H](C2)C3=O 587410973 APYABZOJUVNIMF-LKFCYVNXSA-N 335.153 3.539 0 1 EHAF CC[C@@H](C)Oc1ccc([C@H]2NCCc3c(C)ccnc32)cc1OC 963070089 FCYQYQNZXXBJDH-AUUYWEPGSA-N 326.440 3.811 0 1 EHAF NC[C@@]1(c2ccccc2Cl)c2ccc(F)cc2C[C@@H]2CCCN21 963108229 OIEOPEJGNKJPLF-KXBFYZLASA-N 330.834 3.702 0 1 EHAF COc1ccc2c(c1)[C@H](CO)CN(CCCCc1ccccc1)CC2 1772576840 WCPYKHQMSBMCQY-FQEVSTJZSA-N 339.479 3.652 0 1 EHAF C[C@H](CC[C@@]1(C)[C@H](C)CC=C2[C@@H]1CC[C@H](O)[C@@]2(C)CO)CC(=O)O 13326995 CPESDJXXAPDHHT-OIFWOIAISA-N 338.488 3.619 0 1 EHAF FC(F)(F)CCCSc1nsnc1[C@H]1CN2CCC[C@@H]1C2 13605378 QROOTTZWVVRLNV-ZJUUUORDSA-N 337.436 3.782 0 1 EHAF C[C@@H]1C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1 15193728 GJTVYZYQXAMSQY-VRPLWUDZSA-N 328.408 3.707 0 1 EHAF Cc1cccnc1-n1ncc(C(=O)Nc2ccc3ccccc3n2)c1C 1857573909 MLAVKAGTTWXDNP-UHFFFAOYSA-N 343.390 3.685 0 1 EHAF O=C(NCc1ccccc1)c1cccc2c3c([nH]c12)[C@H](C(=O)O)CCC3 4961252 CYWOLGJGNHFHEF-QGZVFWFLSA-N 348.402 3.602 0 1 EHAF COC(=O)c1cc(C)ccc1C[C@H](Cc1cccc(C)c1)C(=O)OC 6491062 HVUQYOHRPAQDRZ-SFHVURJKSA-N 340.419 3.664 0 1 EHAF c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3ccccn3)cc2)cc1 100101670 DSHLBYJJAVIGPO-NUNAXRQHSA-N 341.458 3.688 0 1 EHAF CCCCNC(=O)[C@@H](c1ccccc1)N1C(=O)C[C@H]1c1ccccc1 28524703 IWQRUGAZWGKBCY-AZUAARDMSA-N 336.435 3.618 0 1 EHAF Cc1ccsc1C(=O)N1CCCCC[C@]1(C)C(=O)NCC(C)C 61928650 VYBSSBYDEGOQSC-GOSISDBHSA-N 336.501 3.604 0 3 EHAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1C[C@H]1[C@H]1CCCC(=O)O1 2356652535 GUCRVQJMZMFWEY-UJWQCDCRSA-N 336.472 3.523 0 1 EHAF COc1ccc(-c2csc([C@H](O)c3cccc(OC)c3)n2)cc1 61929524 KOPWIBXISFFNPD-QGZVFWFLSA-N 327.405 3.909 0 3 EHAF CCNCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 36520170 PPAYECJLTZWNMN-UHFFFAOYSA-N 327.355 3.621 0 1 EHAF 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COC(=O)[C@]1(O)CCC[C@@]2(C)c3cc4occc4c(C)c3CC[C@@H]12 2356531041 OUXSWZRXEDQYNX-HOJAQTOUSA-N 328.408 3.649 0 1 EHAF C[C@@H](O)[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356558925 QPNLPESJLAHENE-QFLSGPEFSA-N 334.500 3.566 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356726164 HSNVQLQKVPNOCK-IGAGALNISA-N 348.483 3.501 0 1 EHAF CCN(Cc1cccc2ccccc12)c1ccc2nc(N)nc(N)c2c1 40955120 RRDCFLPDCXWHHN-UHFFFAOYSA-N 343.434 3.974 0 1 EHAF COc1ccc2c(c1O)CCC[C@@H]2c1cc(OC)c(OC)c(OC)c1 84619854 ZLMYBFQFGZNVHN-CYBMUJFWSA-N 344.407 3.895 0 1 EHAF Cc1cc(O)ccc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 49033240 FNJQXCOVHUVDTB-UHFFFAOYSA-N 340.427 3.512 0 1 EHAF Cc1cc([C@H]2CNCCO2)ccc1Nc1ccc(Br)cn1 149976091 NHIXHHPSCZXTLF-OAHLLOKOSA-N 348.244 3.557 0 1 EHAF COc1ccc2c(c1)oc1c(Nc3ccc4c(c3)OCCO4)ncnc12 95596767 IFJPCGIEIHVPKT-UHFFFAOYSA-N 349.346 3.899 0 1 EHAF c1ccc(CN2CC[C@H]3C[C@H]2c2cc(N4CCOCC4)ccc23)cc1 263591238 PEVJAEWZDBAABH-AVRDEDQJSA-N 334.463 3.958 0 3 EHAF COc1cccc(Cc2nn3cc(-c4cccc(N)c4)nc3s2)c1 473086937 IWKXWKUZKFFOIH-UHFFFAOYSA-N 336.420 3.639 0 1 EHAF NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccccc1Cl 653723893 HLWGVAQBKGLZSV-MRXNPFEDSA-N 325.799 3.569 0 1 EHAF COc1cncc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135153 UMWLQFWUTVEFCO-IHWYPQMZSA-N 341.239 3.832 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(Cc3ccccc3)C1)O2 587396732 VXSVFFCXNIKBHR-OAQYLSRUSA-N 336.435 3.577 0 1 EHAF COc1ccc(OC)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1OC 587926797 OPITWUUROIUFFZ-UHFFFAOYSA-N 338.285 3.673 0 1 EHAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](CO)C4)-c1ccccc1C2=O 587100714 FNEKBWDXCCAZFE-CYBMUJFWSA-N 329.399 3.852 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CCCO[C@H]2C1(C)C 587485908 KKGGFTXZLAMILJ-BOUXLOLZSA-N 330.424 3.884 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1nc4cc(C)c(C)cc4[nH]1)[C@@H](C2)C3=O 587437179 FIFUXGIGNAXEMP-DJJJIMSYSA-N 334.375 3.677 0 1 EHAF Fc1cc2[nH]c(CSc3nnc(S)s3)nc2cc1Cl 587025743 PTNBLNOTPZFJSD-UHFFFAOYSA-N 332.838 3.788 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(C(C)C)n1)CC2=O 587489366 LIBHGCSIBRBCJV-KRWDZBQOSA-N 326.396 3.965 0 1 EHAF Cc1ccnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587770405 JHAQRDQYRUXYLK-QLJPJBMISA-N 335.220 3.915 0 1 EHAF O=C(NCc1nc2cc(Cl)c(F)cc2[nH]1)c1cc2c(s1)CCC2 587035476 UUTQXTLBMIVBNT-UHFFFAOYSA-N 349.818 3.836 0 1 EHAF Clc1c[nH]c2nc(-c3c(-n4cccc4)sc4c3CCC4)nc-2n1 587032181 GGVFODUQYWSZMR-UHFFFAOYSA-N 341.827 3.966 0 1 EHAF COC[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792974 MJIMZPRETWKJJB-FEUHOPSXSA-N 330.241 3.620 0 1 EHAF CCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(Cl)c1 962890055 AZZAFMOFEGSRAB-DOTOQJQBSA-N 349.789 3.566 0 1 EHAF Brc1ccc2cc(CNCC3CCNCC3)sc2c1 1857768408 ANSZLHQXIZSIBL-UHFFFAOYSA-N 339.302 3.753 0 1 EHAF COc1ccc2c(c1)c(CC(N)=O)c(C)n2CCCc1ccccc1 13446040 JWUAUTYDZIAVNP-UHFFFAOYSA-N 336.435 3.619 0 1 EHAF COc1ccc(-c2cc3c(NC(=O)N4CCCC4)ncnc3o2)cc1 14946137 JLAIATWJFHZYCZ-UHFFFAOYSA-N 338.367 3.526 0 1 EHAF c1ccc(CN2CCc3c(ccnc3NCc3cccnc3)C2)cc1 169322439 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COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc(F)cc1 35585665 RUXSFUNAKIKHOB-MSOLQXFVSA-N 343.398 3.816 0 1 EHAF COc1ccccc1C1CCN(Cc2nc3ccccc3n2C)CC1 71316782 MJDLYRJRCRLNGE-UHFFFAOYSA-N 335.451 3.962 0 1 EHAF CCCCN1C(=O)CN(CC2CCCCC2)C(=O)c2ccccc21 95562046 MIMRQFHWUMDMGV-UHFFFAOYSA-N 328.456 3.856 0 1 EHAF O=C1CN=C(c2cccs2)C=C2c3cccc(Cl)c3CCN12 148983877 ZDHUMLUZTXYHOB-UHFFFAOYSA-N 328.824 3.630 0 1 EHAF C[C@]1(c2cccc(-c3cccnc3)c2)N=C(N)c2c(F)cccc2O1 96906009 IOXZOQBTPNNBOY-FQEVSTJZSA-N 333.366 3.858 0 1 EHAF COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2CCCO[C@H]21 299812228 KAIRBWGUKDEUFM-KCMGUUNKSA-N 346.398 3.515 0 1 EHAF FC(F)(F)c1cncc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587115245 KIOVRQWGFNZLGB-UHFFFAOYSA-N 335.285 3.805 0 1 EHAF O=C1O/C(=C\c2nc3cc(Cl)nc(Cl)c3[nH]2)c2ccccc21 586905843 DZPLXHUDPGWSFJ-POHAHGRESA-N 332.146 3.933 0 1 EHAF CC/C(=C/c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(C)cc1 587967094 KSQWMFRYLCQMDY-UVTDQMKNSA-N 330.395 3.798 0 1 EHAF CCOc1n[nH]c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1Cl 587065049 KSMLLBOMGQSQDA-UHFFFAOYSA-N 332.578 3.707 0 1 EHAF Cc1ccc(OCc2nc3c(F)cnc(Br)c3[nH]2)cc1 587565365 DHYGPHLZDIINKE-UHFFFAOYSA-N 336.164 3.747 0 1 EHAF C[C@@H](c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1C(F)(F)F 587099047 WHCIWRAJYXUGBO-ZCFIWIBFSA-N 340.330 3.518 0 1 EHAF C(=C/c1cccc2ccccc12)\c1nc2ccc(-n3cnnn3)cc2[nH]1 587969715 VLYCJBJMBSPPGJ-DHZHZOJOSA-N 338.374 3.862 0 1 EHAF O=C(Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587072644 SXBICWOVKGRXGS-UHFFFAOYSA-N 342.782 3.803 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cccc(OC)c1F)[C@@H](C2)C3=O 587425962 IWDFZQJOYZFONB-ORAYPTAESA-N 328.339 3.506 0 1 EHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccnc(Cl)c2[nH]1 587113034 JBORWRCCRDQCIX-JTQLQIEISA-N 340.736 3.873 0 1 EHAF Cc1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587772248 FCHGSBJMYVTJQX-WJWGPLDTSA-N 339.208 3.817 0 1 EHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc3ncccc3c2[nH]1 587043689 UFJIDQVDQBKXHW-CQSZACIVSA-N 340.452 3.731 0 1 EHAF 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FC(F)(F)c1nc2c(OCCNCc3ccccc3)cccc2[nH]1 3923630 BKHJHBMOHZNYEP-UHFFFAOYSA-N 335.329 3.750 0 1 EHAF Cc1ccc2cc3cc(C(=O)NCCCN4CCCC4)oc3nc2c1 4906516 URPXJRVIBJTFBJ-UHFFFAOYSA-N 337.423 3.505 0 3 EHAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]56CCC[C@@H]5C=CC[C@](C4)([C@@]36C)[C@@]12O 2356320201 MKRCCEVCJZWCEH-NIMZPVHJSA-N 342.479 3.504 0 1 EHAF Clc1ccc(CN2CC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 28642189 VYZJFSWYQODVMI-KRWDZBQOSA-N 326.831 3.903 0 1 EHAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@@H]2C=C[C@@H](O)[C@@]21C 2356756459 HRUZZZOEFXPPFR-OJXMLOMTSA-N 346.511 3.732 0 1 EHAF O=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21 20148997 XMPHNZMDLSUDQI-UHFFFAOYSA-N 341.164 3.953 0 1 EHAF CC[C@H]1C(=O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)C(=O)C[C@]4(C)[C@H]3CC[C@]12C 69481889 AYTMEYVBLXAHPT-JQAZRMNPSA-N 332.484 3.774 0 1 EHAF biogenic,in-vitro O=C(Nc1ccccc1)N1CCN(Cc2ccc3[nH]ccc3c2)CC1 35824785 HPHVJZPUYSRXIJ-UHFFFAOYSA-N 334.423 3.518 0 1 EHAF COCCN1C(=O)COCc2ccc(-c3cc(F)cc(Cl)c3)cc21 74375711 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C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCO[C@@H](C)C2)N1 587841281 MLWKMTMYOUTEQR-AMJWSMQMSA-N 328.225 3.517 0 1 EHAF C[C@H](SCc1ccccc1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586962035 NSNIVSGHPFJBNK-LBPRGKRZSA-N 346.477 3.961 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)n2)N1 587738295 MMMNNETWPSNMMZ-VXJOIVPMSA-N 339.183 3.746 0 1 EHAF N[C@@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@H]1c1ccccc1F 587154110 CYOVDHZGEMZEHK-PWJLMRLQSA-N 337.732 3.975 0 1 EHAF CCCC[C@H](OC)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587554244 HSOUJONSRWYGGS-INIZCTEOSA-N 339.395 3.981 0 1 EHAF COc1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874194 WTEDEEGJOPOEBA-UHFFFAOYSA-N 340.310 3.523 0 1 EHAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 587590101 XSDPRNZFNOPBNG-GHTZIAJQSA-N 347.370 3.973 0 1 EHAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 587793879 LYCVHVBJUYSTOO-JKYUHCHBSA-N 325.181 3.508 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc3cnc(Cl)nc13)O2 587415255 QSPFMAGMQWOLNN-LBPRGKRZSA-N 345.811 3.942 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(-c3cnc(Cl)s3)nc2c1 587023613 RKNJPJXKAGVQGX-UHFFFAOYSA-N 328.180 3.780 0 1 EHAF N[C@H]1CC[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587246824 OWBMVZYYABZNFJ-XPUUQOCRSA-N 334.139 3.549 0 1 EHAF CCCc1sc(=N)[nH]c1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587013025 GRXZOEDHZCOENJ-UHFFFAOYSA-N 328.775 3.983 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)nn1)CC2=O 587462075 OYARDNATDANSOA-QGZVFWFLSA-N 332.787 3.669 0 1 EHAF Cc1ccnc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 587168711 NBTJYKIXBBCZHM-UHFFFAOYSA-N 334.358 3.531 0 1 EHAF NC(=O)N1CCc2sccc2[C@]1(c1ccc(F)cc1)c1ccco1 962712103 NVSDYFKDUOAWMX-GOSISDBHSA-N 342.395 3.709 0 1 EHAF C[C@@H](N)C[C@]1(c2ccco2)c2ccsc2CCN1Cc1ccco1 962700220 CGMYHVRNZXFNBL-AUUYWEPGSA-N 342.464 3.973 0 1 EHAF CCC(CC)C(=O)NC[C@H]1Cc2cc(-c3ccc(C)cn3)ccc2O1 11880396 YRFRBBVAQSNZEC-GOSISDBHSA-N 338.451 3.913 0 1 EHAF COc1ccc(C2=NO[C@](C)(c3nnc(Cc4ccccc4)o3)C2)cc1 12726747 WVCJAKCDJWLINL-FQEVSTJZSA-N 349.390 3.709 0 3 EHAF CCCCOc1ccnc(C[S@](=O)c2nc3cscc3[nH]2)c1 13448615 FGLZRJMTUDPOAA-JOCHJYFZSA-N 335.454 3.506 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccoc3)cc2)C[C@@H]2CC[C@H]1N2C 13675093 KAVKUIYDILEQNP-MANSERQUSA-N 325.408 3.686 0 1 EHAF CCC(=O)NCC[C@H]1CCc2c(OC)ccc3ccc(OC)c1c23 13834445 NSEAOKKQWABVSA-CQSZACIVSA-N 327.424 3.803 0 1 EHAF COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 1612753 KMCRDRIVRPRGHU-VOTSOKGWSA-N 330.380 3.900 0 1 EHAF CN1C(=O)[C@H](c2ccc(C#Cc3cccc(Cl)c3)cn2)CC1(C)C 204407243 SFEBOGPWHLPAMA-KRWDZBQOSA-N 338.838 3.859 0 1 EHAF Clc1cccc(CN=c2nc3c(c[nH]2)CSc2ncccc2-3)c1 1857543286 ZJYSQUBSMUECOJ-UHFFFAOYSA-N 340.839 3.832 0 1 EHAF CNC(=O)[C@H](OC)c1cccc(COc2ccc(C)cc2Cl)c1 103199727 WYFQIFVIMXOXFB-QGZVFWFLSA-N 333.815 3.661 0 1 EHAF CC(C)[C@H](C)n1[nH]cc2nc(-c3cccn3-c3nccs3)nc1-2 103584932 IQBZETKAFKSQKH-NSHDSACASA-N 326.429 3.842 0 1 EHAF O=C(O)C[C@@H]1C[C@@H]1c1ccc(OCCCNc2ccccn2)cc1 28648074 JNJNTZUNBGRNAA-DOTOQJQBSA-N 326.396 3.541 0 1 EHAF C[C@@H](O)c1ccc(-c2ccc3ncnc(NC[C@H]4CCCO4)c3c2)o1 66136475 NNECUTCEQUMTAQ-TZMCWYRMSA-N 339.395 3.534 0 1 EHAF CCCN1CC(C)(C)OC(=O)[C@H]1CC(=O)Nc1ccc(C(C)C)cc1 117778076 ALRJVORYPKYAFO-QGZVFWFLSA-N 346.471 3.555 0 1 EHAF COc1cccc(-c2cc3nc(C)cc(NCc4cccnc4)n3n2)c1 35314443 JCHNAGHUZZSBKJ-UHFFFAOYSA-N 345.406 3.720 0 1 EHAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)c(Br)c1 72104606 PZGSQYYQQYLHSL-BXKDBHETSA-N 325.202 3.549 0 1 EHAF Cc1ccc(/C=C2\CNCC3=C2NC(=O)N[C@H]3c2ccc(C)cc2)cc1 96270593 KXPNCAPANATAJP-OBXYEHHASA-N 345.446 3.598 0 1 EHAF CN1CC[C@H](C(=O)c2cncc(-c3ccc(Cl)c(Cl)c3)c2)C1=O 653717577 YMCQNJBDSASQQM-CYBMUJFWSA-N 349.217 3.716 0 1 EHAF NC(=O)c1cccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587053037 ZPXBIJSZBDYHLP-UHFFFAOYSA-N 336.782 3.773 0 1 EHAF COc1ccc(CCCc2nc3cc4cn[nH]c4cc3[nH]2)c(OC)c1 587929097 QDXCQJQPNDZUOX-UHFFFAOYSA-N 336.395 3.632 0 1 EHAF Brc1cncc2nc(COC/C=C\c3ccccc3)[nH]c12 587781315 SUXLKRCKSRXPGB-DAXSKMNVSA-N 344.212 3.950 0 1 EHAF Nc1cccc2c1OCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587512231 WFPMOQHBYVNHRC-OAQYLSRUSA-N 335.403 3.791 0 1 EHAF Cc1ccc(/C(=C/N(C)C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587388154 WZXWLZYGRNDDOU-PGNDWZGLSA-N 336.435 3.822 0 1 EHAF CC[C@@H]1CC[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587819451 IACJUAGHPWINPZ-LYGAQUJYSA-N 340.236 3.707 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)cnc1OC)CC2=O 587490549 YBZXRSOQRFBYJL-HXUWFJFHSA-N 341.407 3.937 0 1 EHAF Cc1cnc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2c1 587242086 OWKGLIGZDPZWRE-UHFFFAOYSA-N 340.383 3.986 0 1 EHAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(O)cc2[nH]1 587167491 OMJJYKMBNLLWLF-INIZCTEOSA-N 340.358 3.777 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccnc(C(F)F)c1)[C@@H](C2)C3=O 587423243 SMUAEZLIBHDKCT-KPZWWZAWSA-N 331.318 3.691 0 1 EHAF Nc1ccc(C(=O)CCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 587251863 PSOMRWKDFOPCGB-UHFFFAOYSA-N 335.194 3.662 0 1 EHAF CC(C)(C)c1noc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587526452 PNVDYXFYFJGRAJ-OAHLLOKOSA-N 326.396 3.952 0 1 EHAF Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)o1 587660230 PDVVNKJWBHYURU-UHFFFAOYSA-N 348.333 3.793 0 1 EHAF COc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587066021 DYCRLFUWOYFPKX-UHFFFAOYSA-N 327.771 3.777 0 1 EHAF Cc1cc2[nH]c(-c3cccnc3SCC(=O)O)nc2cc1Cl 586966646 HLWLXQZFNVJSEZ-UHFFFAOYSA-N 333.800 3.763 0 1 EHAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(N)=O)cc2[nH]1 587061878 KQDVXNAQSXZUSQ-CQSZACIVSA-N 329.787 3.845 0 1 EHAF COc1ccc2c(c1)[C@@H](C)[C@]1(CC2)c2ccsc2CCN1C(N)=O 962693703 AUHPYRBQBKNVCE-CWTRNNRKSA-N 342.464 3.639 0 1 EHAF CN1C(=O)C[C@H]2CN[C@](C)(c3cc(F)ccc3Cl)c3cccc1c32 963015891 ATQGZWXGZRNACJ-WLRWDXFRSA-N 344.817 3.796 0 1 EHAF CCCn1cnc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962695814 FPFCOPYSPDWARB-LIRRHRJNSA-N 345.487 3.885 0 1 EHAF c1ccc2c(c1)CC(N=c1nc(-c3ccncc3)[nH]c3ccccc13)C2 1772574617 CXXZGJGTXABPOP-UHFFFAOYSA-N 338.414 3.693 0 1 EHAF O=C(Nc1cnn(CCc2ccccc2)c1)N1Cc2ccccc2C1 167728936 IBDKCNPNMBKYKZ-UHFFFAOYSA-N 332.407 3.674 0 1 EHAF Cc1nc2nc(C(=O)c3ccccc3)c(-c3ccccc3)c-2c(O)[nH]1 1857578749 JAQDZDAZCCSBAX-UHFFFAOYSA-N 329.359 3.822 0 1 EHAF O=C(CCCCNCc1ccc(O)c2ncccc12)Nc1ccccc1 1857614563 KPZOFDQMVMCUIC-UHFFFAOYSA-N 349.434 3.839 0 1 EHAF CN(CCCOc1ccc(Oc2ccc(F)cc2)cc1)CCC(=O)O 13475299 IUWJOVIQIJRTOX-UHFFFAOYSA-N 347.386 3.793 0 1 EHAF Cc1cccc(CNc2ncncc2-c2ccc(C(=O)N(C)C)cc2)c1 4266526 QMZLJBCIMSMRLV-UHFFFAOYSA-N 346.434 3.766 0 1 EHAF c1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3ccccn3)cc2)cc1 100101675 DSHLBYJJAVIGPO-JKHIJQBDSA-N 341.458 3.688 0 1 EHAF CC(C)N(CC[C@](CC(C)(C)C)(C(N)=O)c1ccccn1)C(C)C 27521079 JPMOKTZWWUXLNH-HXUWFJFHSA-N 333.520 3.750 0 1 EHAF COc1cccc([C@H](O)c2nc(-c3cccc(C(=O)O)c3)cs2)c1 61929667 FHVFPFHPNCKDFT-INIZCTEOSA-N 341.388 3.599 0 3 EHAF CN(C)Cc1ccn2c(-c3ccncn3)c(-c3ccc(F)cc3)nc2c1 36160951 SHEWZMZBEABHCY-UHFFFAOYSA-N 347.397 3.659 0 1 EHAF Cc1csc(NC(=O)c2cccc3[nH]c(-c4cccnc4)nc23)n1 71287385 ZXWCJXAWLXXBDD-UHFFFAOYSA-N 335.392 3.642 0 1 EHAF CC[C@H](C)NC(=O)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82216448 JSLUVMKXFRIXNV-LBPRGKRZSA-N 342.418 3.633 0 1 EHAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN(C)C3)cc12 226060372 OZWHCAZDQNMMES-GFCCVEGCSA-N 325.387 3.797 0 1 EHAF Clc1nccc2c(CN3CCN(c4ccccc4)CC3)c[nH]c12 43015619 CIQQYYDWFNUHDM-UHFFFAOYSA-N 326.831 3.539 0 1 EHAF CN1C[C@](O)(c2ccc(-c3ccccc3F)cc2)O[C@H]2CCCC[C@H]21 253670982 DVRJPNBGRUZGDS-QHAWAJNXSA-N 341.426 3.911 0 1 EHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C(F)F)c2cn1)c1ccccc1 261098271 FTJGOJKDVFEQJC-SECBINFHSA-N 331.326 3.778 0 1 EHAF CN(C)[C@H]1CC[C@@H](C(=O)Nc2cc3ccnc(O)c3cc2Cl)CC1 261143946 NNVCTYITXVLTHU-BJHJDKERSA-N 347.846 3.653 0 1 EHAF N=c1[nH]c(-c2cccc(NCc3ccc[nH]3)c2)cn1Cc1ccccc1 473114701 PARCNRCTIIBMMS-UHFFFAOYSA-N 343.434 3.951 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)O3)N1 587845199 ZQMJXEVWWWJTSM-WOKWXURKSA-N 340.236 3.659 0 1 EHAF Cc1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587776375 XAKIPCYVELMTLO-WJWGPLDTSA-N 339.208 3.817 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)N(C)C(=O)OC(C)(C)C)O2 587388236 YWCKLOWXXQLARJ-HNNXBMFYSA-N 348.443 3.557 0 1 EHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 587042123 IOPVPRRNKWEWKK-GFCCVEGCSA-N 346.500 3.876 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](C(=O)OCC)C1)CC2=O 587477156 FRWVSZQGIUYGJA-ZUOKHONESA-N 346.423 3.802 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc4c(cc1Cl)OCO4)[C@@H](C2)C3=O 587424092 WZJNTEUUSPWUPY-BBATYDOGSA-N 344.750 3.566 0 1 EHAF C[C@]1(CCCCO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348589 DGHJNQJPMHUHCI-UYAOXDASSA-N 344.382 3.812 0 1 EHAF CC(C)OC(=O)C1(c2nc3cc(Cl)cc(F)c3[nH]2)CC(F)(F)C1 587131566 OFWRILHTDABNIS-UHFFFAOYSA-N 346.736 3.974 0 1 EHAF CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccco4)c3O)c2)=N1 587934469 GAWDBXSXPIDAEQ-UHFFFAOYSA-N 338.363 3.704 0 1 EHAF COc1cc2c3c(c1)O[C@](c1ccccn1)(c1cccs1)[C@@H](C2)C3=O 587453544 XEJTYGGNDLHQHM-VBKZILBWSA-N 349.411 3.843 0 1 EHAF O=S(=O)(CCCc1ccccc1)Nc1cccc2cccnc12 74826903 APZZKINGXHIXCI-UHFFFAOYSA-N 326.421 3.609 0 1 EHAF CC(C)(F)c1ncncc1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963095809 DQXNREZOAVVMQH-SUMWQHHRSA-N 329.394 3.930 0 1 EHAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)CCO3)N(C)[C@H](C)C2 962636800 NIPLOZPZMMDEAV-ASSNKEHSSA-N 339.435 3.605 0 1 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O=C1NC(=O)[C@H](Cc2ccc3c(c2)CC[C@H](C2CCCCC2)O3)S1 26962921 JFWPCWZTIJKSEU-WBVHZDCISA-N 345.464 3.855 0 1 EHAF CCOc1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 28384960 QYDUEZJXOJGOIY-UHFFFAOYSA-N 343.390 3.790 0 1 EHAF Cc1cc(C)n(C(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)n1 29402028 VDCYRSIOFAZHJT-UHFFFAOYSA-N 340.427 3.643 0 1 EHAF C[C@H](Oc1ccccc1Oc1cnc2ccc(Cl)cc2n1)C(=O)O 29471769 GKXVJJZRYUIEMS-JTQLQIEISA-N 344.754 3.927 0 1 EHAF CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 36188442 FSRSEANZUZHDHK-UHFFFAOYSA-N 327.815 3.771 0 1 EHAF Cc1c(CN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1 36216614 VFZKZZYPGOBKJY-UHFFFAOYSA-N 332.451 3.503 0 1 EHAF CC(C)(C)c1ccc(-n2c(=O)oc3cc(Cl)ccc3c2=O)cc1 64453679 VDTWFGVVKBUXNP-UHFFFAOYSA-N 329.783 3.895 0 1 EHAF COc1cccc(-c2nc(CNc3cc(OC)ccc3OC)co2)c1 72183986 ZRYUIIFMVFAYQD-UHFFFAOYSA-N 340.379 3.980 0 1 EHAF Cc1noc(C)c1-c1cc2c(c3c1OCO3)NC(C)(C)C(=O)C2(C)C 142098290 KQQINBWYAPFPKH-UHFFFAOYSA-N 342.395 3.738 0 1 EHAF NCc1ccc(-c2c(O)cc(F)c3[nH]c(=O)c4sccc4c23)cc1 149866289 YCDRKSPJQLAXRV-UHFFFAOYSA-N 340.379 3.713 0 1 EHAF C[C@]12CC[C@@H](O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O 169727177 YBLBQJOVMZSVSV-MEBBXXQBSA-N 325.286 3.988 0 1 EHAF COc1ccc(C=O)c2cc(-c3nc4nccc(Cl)c4[nH]3)oc12 586903351 JBHQGAGOLNRHPA-UHFFFAOYSA-N 327.727 3.846 0 1 EHAF Cc1c(F)ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587085282 QNTGJSKVSHOHJY-UHFFFAOYSA-N 345.809 3.838 0 1 EHAF CC(=O)O[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587105867 BDTDTVVYICLCCE-CYBMUJFWSA-N 343.382 3.867 0 1 EHAF COc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2n1 587116464 YCURSTGQFQTTBP-UHFFFAOYSA-N 345.284 3.596 0 1 EHAF Fc1cc(CCc2nc3cc4c(cc3[nH]2)OCCO4)cc(F)c1F 587138384 JWGNZWBMEDWZMW-UHFFFAOYSA-N 334.297 3.537 0 1 EHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587164358 TWAZIQLYKMTPCU-OAHLLOKOSA-N 341.283 3.909 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCO[C@@H](F)C2)[C@H]1c1ccc(F)cc1 587340734 VROIYFUAHADJNQ-AOIWGVFYSA-N 346.329 3.735 0 1 EHAF CCOC(=O)c1ccccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401889 ZARXKRALPNSMKZ-HXUWFJFHSA-N 339.391 3.635 0 1 EHAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(C)cc1)[C@@H](C2)C3=O 587428139 HTTXXWBVPYOGIY-JQTWLFPRSA-N 349.430 3.722 0 1 EHAF COC(=O)C[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587524277 LIIQEHAJDZBUME-RBZFPXEDSA-N 328.408 3.633 0 1 EHAF O=C1C[C@@](C(=O)O)(c2cccs2)Oc2c1ccc1c2CCCC1 587531430 KCTHVHANFYVJAU-SFHVURJKSA-N 328.389 3.572 0 1 EHAF Cc1coc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587772131 DJQKOIIILKUKAI-GLEZIHRCSA-N 339.208 3.682 0 1 EHAF FC(F)(F)c1ncc2nc(COC/C=C/c3ccccc3)nc-2[nH]1 587781020 OIVZNDHXQJRTER-QPJJXVBHSA-N 334.301 3.553 0 1 EHAF CN(C)c1ccc(-n2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 653713159 KGVQFMMHSQATSO-UHFFFAOYSA-N 334.206 3.759 0 1 EHAF Oc1ccc2c(c1)[C@](c1ccc(Cl)nc1)(c1cccs1)NCC2 963329340 MIUWNZLLZLPCGR-GOSISDBHSA-N 342.851 3.940 0 1 EHAF Clc1ccc(Nc2cncc(N3C[C@@H]4C[C@H](C3)N4)c2)cc1Cl 1857632148 ZCSNSKWBENJMGO-BETUJISGSA-N 335.238 3.683 0 1 EHAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(=N)[nH]c4)C3)CC[C@H]1[C@H](N)C2 2356294993 WTYWRDMLYRGBFY-OACYRQNASA-N 343.515 3.518 0 1 EHAF CC(C)=CCC[C@H](C)[C@@H]1[C@H](O)CC(C)=CCC=C2C(=O)O[C@H](O)[C@@H]21 2356804831 ZLVXQIPQKMUARK-ANSOJVFESA-N 334.456 3.504 0 1 EHAF COc1ccc(C2=NO[C@](C)(c3nnc(-c4ccccc4)o3)C2)cc1 12726911 AZIIZRPSVGRBMY-IBGZPJMESA-N 335.363 3.785 0 3 EHAF Cc1cc(C)n2nc3nc(N4CCCCC4)nc(-c4ccco4)c3c2n1 248482 XKUWTASNRXQGAA-UHFFFAOYSA-N 348.410 3.540 0 3 EHAF CC[C@H](C)c1nc2nc(N3C[C@H](CC)CC[C@H]3C)ccc2[nH]c1=O 3955129 KOLXOSRVQZHDQO-BFHYXJOUSA-N 328.460 3.847 0 1 EHAF CC/N=c1\c(NC(=O)Nc2ccccc2F)c(O)oc2ccccc12 103524197 FAQWRBCEZAOCJW-HKWRFOASSA-N 341.342 3.842 0 1 EHAF Cc1cc(C)nc(Nc2nc([C@@H](N)CCc3ccccc3)cs2)n1 61907648 CVCLBXLQRVKPNW-HNNXBMFYSA-N 339.468 3.926 0 3 EHAF N[C@@H](c1c(Cl)cc(O)cc1Cl)[C@H](N)c1ccc(O)cc1Cl 22441429 OIRXFMQHJZPZPB-KGLIPLIRSA-N 347.629 3.758 0 1 EHAF Cc1[nH]c2nc(N)nc(O)c2c1Sc1ccc(C(F)(F)F)cc1 28523225 HYBYGJYSGVUEQU-UHFFFAOYSA-N 340.330 3.724 0 1 EHAF CN(C)C[C@@H](c1ccccc1Br)C1(O)CCCCC1 26730546 RXLTXBKNARFTEK-AWEZNQCLSA-N 326.278 3.790 0 1 EHAF Nc1ncnc2c1c(-c1cnc3ccccc3c1)nn2C1CCCC1 64531788 FVPBLAKABVRLRX-UHFFFAOYSA-N 330.395 3.739 0 1 EHAF C=CC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@H]1N(C)C 28237128 SIFRJQAZOAXSIF-CABCVRRESA-N 327.255 3.995 0 1 EHAF CCOC(=O)Nc1cc(NC(C)=O)c2nc(-c3ccccc3)[nH]c2c1 66102615 HAWSPTSRPZKUBS-UHFFFAOYSA-N 338.367 3.757 0 1 EHAF CCOC(=O)/C=C/c1cccc(OCc2nc(C)c(C)nc2C)c1 73138937 FHDRSFXCQZWGPP-MDZDMXLPSA-N 326.396 3.557 0 1 EHAF CC(C)S(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1 72176877 IOXMRDMXNTYSES-UHFFFAOYSA-N 334.828 3.861 0 1 EHAF O=C([C@@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1)N1CCCC1 1911571723 RYJRQSOIHQVIDX-LLVKDONJSA-N 346.780 3.808 0 1 EHAF COc1cc2ncnc(Nc3ccc(F)cc3)c2c(OC)c1OC 96916407 BBOZZRNVUWPEMK-UHFFFAOYSA-N 329.331 3.538 0 1 EHAF C[C@@H]1Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2C1(C)C 42920508 YPVUORZILHLSOT-JTQLQIEISA-N 338.359 3.930 0 1 EHAF biogenic CC(C)C(=O)Nc1cc(Nc2c(Cl)ccc3c2OCO3)ccn1 653889563 MZGLQMQJGXYIGA-UHFFFAOYSA-N 333.775 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)O[C@@H](C)CC)CC2=O 587485713 QNCNUDOJPJEGHS-BUXKBTBVSA-N 334.412 3.800 0 1 EHAF Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587853794 RSOLMFZEKWUJSL-UOWDBTKRSA-N 341.249 3.977 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CC(C)(C)NC(=O)OC(C)(C)C)O2 587386323 IKGMOSPNUKWVNO-GFCCVEGCSA-N 348.443 3.604 0 1 EHAF COc1cccc(C)c1-c1nc2c(F)cnc(Br)c2[nH]1 587787900 ZYOVUGQLGYPSKB-UHFFFAOYSA-N 336.164 3.844 0 1 EHAF O=C1C[C@@]2(CCC[C@H](C(=O)O)CC2)Oc2c1ccc1c2CCCC1 587529066 IIUPBBSTDKPQND-XOBRGWDASA-N 328.408 3.934 0 1 EHAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1cccc(Cl)c1 587633185 UEXWYQGVSXOJST-UHFFFAOYSA-N 331.730 3.978 0 1 EHAF O=C(Cc1ccccc1)NCCc1nc2cc3ccccc3cc2[nH]1 587228967 VZVBIBUUNXXJMJ-UHFFFAOYSA-N 329.403 3.618 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](C(=O)OCC)C1)CC2=O 587477154 FRWVSZQGIUYGJA-RNODOKPDSA-N 346.423 3.802 0 1 EHAF C[C@@]1(c2nc3ccnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587159106 ZMCGMVBFLCRVCJ-INIZCTEOSA-N 330.750 3.542 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3nc(Cl)ccc13)O2 587381479 JOBBPLBMYUDWBO-CQSZACIVSA-N 327.771 3.813 0 1 EHAF N=c1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2ccccc2[nH]1 587253268 FGBBQBQDTMFMJJ-UHFFFAOYSA-N 340.289 3.512 0 1 EHAF Oc1nc(O)c2ccc(CCc3ccc(Cl)c(Cl)c3)nc2n1 587369080 TXIWYFKJOZUNQX-UHFFFAOYSA-N 336.178 3.528 0 1 EHAF Cc1ccc2c3c(cc([C@@]4(F)CCOC4=O)nc13)-c1ccccc1C2=O 586994990 HEDFTRQZEKOZDF-NRFANRHFSA-N 347.345 3.866 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCn3cccc32)N1 587769889 GYINXFGEIFDISL-MGPLVRAMSA-N 335.220 3.571 0 1 EHAF N[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1 1772587238 CQRVAEMPYUQCBV-SHTZXODSSA-N 341.846 3.732 0 1 EHAF COc1cc(O)c2c(c1[C@H]1CCCN1)O[C@H](c1ccc(O)cc1)CC2 5998936 LEVIHKALYBTAAA-WBVHZDCISA-N 341.407 3.597 0 1 EHAF biogenic COc1cccc(-c2ncn3c2c(=O)n(C(C)C)c2ccccc23)c1 13758858 POLJGAXSGNGAGW-UHFFFAOYSA-N 333.391 3.906 0 1 EHAF COc1cccc(CN2CCC[C@]3(CCN(CC(C)C)C3)C2)c1OC 15071150 DIVWVQDEVUQUIG-NRFANRHFSA-N 346.515 3.648 0 1 EHAF Clc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1cnccn1 166879030 PAUWBGCEMHIIBI-UHFFFAOYSA-N 338.758 3.937 0 1 EHAF COc1cc(Nc2nc(C)cc(N3CCC(F)(F)C3)n2)ccc1F 1857651939 FQGDLVSYPJELGD-UHFFFAOYSA-N 338.333 3.522 0 1 EHAF O=C1OC[C@H]2CCN(Cc3ccccc3)Cc3ccc(F)cc3N12 2356290311 PFFIVELHEWCMQM-QGZVFWFLSA-N 326.371 3.557 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3c(O)cccc3CC[C@@H]21 117622347 OWUJRMORFBUXBC-QAPCUYQASA-N 347.418 3.603 0 1 EHAF CCOC(=O)C1CCN(Cc2coc(-c3ccccc3Cl)n2)CC1 64399351 GRXDWUZWRJIQAY-UHFFFAOYSA-N 348.830 3.770 0 1 EHAF O[C@@]1(Cc2ccc(Cl)cc2)c2ccccc2C2=NCCCCN21 28954304 DZOYYOBFPTZTLD-IBGZPJMESA-N 326.827 3.584 0 1 EHAF CC(C)C[C@@H](N)c1csc(NC(=O)NCCc2ccccc2)n1 61903542 BHPGCFJFBVNLBS-CQSZACIVSA-N 332.473 3.553 0 3 EHAF Oc1ccc(CO[C@H]2CCN(Cc3ccccc3)C2)c2cccnc12 36380700 YRXUEMJSGQEUAU-SFHVURJKSA-N 334.419 3.732 0 1 EHAF CCCc1nc2ccc(C(=O)OC)cn2c1Cc1ccccc1OC 199371631 BWBCJNVQWFMICV-UHFFFAOYSA-N 338.407 3.673 0 3 EHAF COC(=O)CC[C@H](C)N[C@]1(c2ccccc2Cl)CCCCC1=O 96911360 DXFKXPYVXFWPHN-UGSOOPFHSA-N 337.847 3.610 0 1 EHAF Cc1ccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)cc1 95553743 FBSQSJNXSBPZNY-ROUUACIJSA-N 331.419 3.609 0 1 EHAF C[C@@H]1C[C@@H](C)CN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)C1 96928451 IOVQFLUXSBRREX-VXGBXAGGSA-N 340.406 3.718 0 1 EHAF Cc1nc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)ccc1F 95604699 BCMXQWFCCMIMID-UHFFFAOYSA-N 342.349 3.629 0 1 EHAF O=C(CCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(F)cc1 587161784 DDWUYKOTWQCGFG-UHFFFAOYSA-N 337.276 3.931 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)ccc1OC)[C@@H](C2)C3=O 587426506 CZBXMRAGGZVFBR-IFXJQAMLSA-N 328.339 3.506 0 1 EHAF NC(=O)Nc1cccc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 587242191 PDFAUVYELJEROF-UHFFFAOYSA-N 349.163 3.622 0 1 EHAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(C(F)(F)F)cnc2[nH]1 587059570 SRIAVWNYEPZEFG-NSHDSACASA-N 340.736 3.873 0 1 EHAF COC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599833 HYCLMPUXLAFKKQ-DJMMNXNOSA-N 340.375 3.682 0 1 EHAF Cc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F 587038775 BQHOEWZFFRVULN-IAGOWNOFSA-N 327.428 3.957 0 1 EHAF Sc1nc(S)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2n1 587023323 ITAXUQHWNPGGLB-UHFFFAOYSA-N 343.462 3.721 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1nc(C)c(C)nc1C)CC2=O 587485811 KSBATCTYXWQHIB-QGZVFWFLSA-N 326.396 3.766 0 1 EHAF C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(F)c(Cl)c12 587631790 UNFKOIQZTDAFCG-RNIJIWHESA-N 348.805 3.951 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Oc3ccc(O)cc31)O2 587413202 QXPRAKRZJATTMZ-FQEVSTJZSA-N 339.391 3.705 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C)Oc3ccc(F)cc31)O2 587383750 FXFKOPPFSBIQSW-NSPYISDASA-N 327.355 3.748 0 1 EHAF O=C(CCS(=O)(=O)c1ccc(F)cc1)c1coc2ccccc12 587280776 AULIWPHKWUIIDS-UHFFFAOYSA-N 332.352 3.619 0 1 EHAF N[C@H](Cc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12)C(=O)O 587631429 LWTKKMCBZUVLJT-CQSZACIVSA-N 332.762 3.582 0 1 EHAF FC(F)(F)c1cnc2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587037361 UOPTZKGLUDNDKJ-LLVKDONJSA-N 339.342 3.895 0 1 EHAF CCCOc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652654 XUFKAEITILFZFK-UHFFFAOYSA-N 342.782 3.527 0 1 EHAF Cc1ccc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1Cl 962923597 IJOQPGUJKOYZON-GOSISDBHSA-N 328.843 3.585 0 1 EHAF COc1cccc2cc3c(nc12)[C@@](Cc1ccccn1)(C1CC1)NCC3 963045556 HBNOANDUEQYUDV-JOCHJYFZSA-N 345.446 3.632 0 1 EHAF C[C@]1(c2c(Cl)[nH]c3ccccc23)NCCc2nc3ccccn3c21 962991265 UULAWOOEWGOVGA-LJQANCHMSA-N 336.826 3.878 0 1 EHAF COc1cc2c(cc1OC)[C@](CCC(=O)O)(C(C)(C)C)N(C)[C@H](C)C2 962640015 YJLYEQBHYPCYID-ZUOKHONESA-N 349.471 3.686 0 1 EHAF CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc3c(c2)OCCN3)c1F 1772599763 GJPBZZJNXQYRTG-CYBMUJFWSA-N 348.805 3.924 0 1 EHAF CC(=O)OCCSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 13677528 NGCOVFQZQYNLNZ-DOTOQJQBSA-N 341.904 3.672 0 1 EHAF CCN(CC(F)(F)F)c1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1 14968329 IFKQXZGNHOOIJT-UHFFFAOYSA-N 338.251 3.936 0 1 EHAF CC1=C2C[C@H](O)/C(C)=C\CC[C@]3(C)O[C@H]3CC/C(C)=C\[C@@H]2OC1=O 169293419 RBYVYDNIAHQGRU-NDZOWHKZSA-N 332.440 3.603 0 1 EHAF COC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169324884 IVJOAORQVUYFDW-RQYHSARZSA-N 347.499 3.639 0 1 EHAF O=C1CS[C@H](c2ccc(F)cc2)N1c1ccc2oc(=O)ccc2c1 1857545791 ZHOBXFDNJYCWOK-GOSISDBHSA-N 341.363 3.711 0 1 EHAF O=C(c1ccc(Cl)s1)c1c(O)[nH]c2cc(Cl)ccc2c1=O 13775703 OHLMZTBOPGQRHV-UHFFFAOYSA-N 340.187 3.833 0 1 EHAF C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@]45C[C@@H]4CC[C@]35C)[C@H]1CC[C@@]21C=CC(=O)O1 2356311983 OUBYDRMNFCCAQT-DRWPORAVSA-N 342.479 3.852 0 1 EHAF CC(C)=CCC[C@](O)(CO)[C@H]1CCC(=CCCc2ccoc2)CO1 2356336114 JRRKNNHWQABOMA-UXHICEINSA-N 334.456 3.787 0 1 EHAF Cc1onc(C(C)(C)C)c1C(=O)NCCCN(C)c1ccccc1 2483385 XLBWMYCPQBTNIT-UHFFFAOYSA-N 329.444 3.537 0 1 EHAF CN1CCc2cccc3c2[C@@H]1Cc1c(Br)ccc(O)c1-3 27655914 YDXYUMUNNLVNQU-AWEZNQCLSA-N 330.225 3.907 0 1 EHAF C[C@@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 26395463 HABYHHAEXZCLGB-WMHPUALNSA-N 333.516 3.847 0 1 EHAF CC1(C)C[C@H](c2cc(O)n3nc(-c4cccs4)cc3n2)CCO1 103525072 NIIHVWLBPCCQAY-LLVKDONJSA-N 329.425 3.836 0 1 EHAF CCCCCOC(=O)CCCNC(=O)Oc1cccc(Cl)c1 28520579 BUFAWTGOTGWIEZ-UHFFFAOYSA-N 327.808 3.942 0 1 EHAF Clc1ccc([C@H]2N=C(N3CCOCC3)Cc3ccccc32)cc1 26576965 KDGBKKGFBMKPGW-LJQANCHMSA-N 326.827 3.716 0 1 EHAF C[C@H]([C@H](O)c1ccc2c(c1)OCO2)[C@H](C)Cc1ccc2c(c1)OCO2 29056208 SDXLCXZRXWWAGW-UVARLRKDSA-N 342.391 3.692 0 1 EHAF endogenous,in-man O=C(NCc1c(F)cccc1Cl)c1snnc1-c1ccccc1 28956836 GKHIYYJFCDWSED-UHFFFAOYSA-N 347.802 3.928 0 1 EHAF CCc1ncnc(N[C@@H](C)c2ccc(OC(=O)N(C)C)cc2)c1Cl 28887750 WQBLYIMPINYEKM-NSHDSACASA-N 348.834 3.926 0 1 EHAF COc1cc(CCCO)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@H]2C 6067137 JJPULWMQUWTWAT-BUXKBTBVSA-N 342.391 3.586 0 1 EHAF biogenic O[C@H](C[C@@H]1CCCCN1)[C@H]1CC=Nc2c1cccc2C(F)(F)F 221624857 BXDJPRAMIBKNMC-SLEUVZQESA-N 326.362 3.788 0 1 EHAF CCS(=O)(=O)c1ccc2oc(Cc3ccccc3Cl)nc2c1 40864945 DUHUMEOGJSXGHB-UHFFFAOYSA-N 335.812 3.866 0 1 EHAF Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1 40392894 QGADLXMTFNOCAX-WEYGHZABSA-N 335.447 3.892 0 1 EHAF CCCc1ccc(/C=C2\CN3[C@H]4CC[C@H]3[C@H](C(=O)OC)[C@H]2C4)s1 261183465 WPYLGFOVJBBYHQ-KZSUOAOFSA-N 331.481 3.740 0 1 EHAF Cc1cc(-c2ccccc2)nc(NC[C@H]2CC[C@H](C(=O)O)CC2)n1 299823744 TUNZXWJWEIXKOO-KOMQPUFPSA-N 325.412 3.755 0 1 EHAF c1c(Nc2nc(N3CCCCCC3)nc3c2CCC3)n[nH]c1C1CC1 299858273 DNGRJXFNSOWYDU-UHFFFAOYSA-N 338.459 3.690 0 1 EHAF CC(C)COc1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br 586911727 MAGKUEOEAAWCPN-SNVBAGLBSA-N 339.233 3.864 0 1 EHAF COc1nccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c12 587013069 YWGALKNZWWTBAY-UHFFFAOYSA-N 336.420 3.989 0 1 EHAF Fc1ccc(F)c(-c2csc(Cc3nnc4n3CCCCC4)n2)c1 587922436 QKGNWUFQYZXQTA-UHFFFAOYSA-N 346.406 3.997 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2)N1 587772702 GEDAVUUWCOIANF-MGPLVRAMSA-N 335.220 3.781 0 1 EHAF Clc1cncc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007201 NXGYELZZWVVGEK-UHFFFAOYSA-N 348.591 3.689 0 1 EHAF O=C1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@H]2C1)-c1ccccc1C5=O 586991252 RXRMJXFNPPTFRC-YGRLFVJLSA-N 341.366 3.771 0 1 EHAF Cc1ncsc1CCc1nc2c(C)c(Br)cnc2[nH]1 587026952 KXYSBZINYGVIOY-UHFFFAOYSA-N 337.246 3.579 0 1 EHAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587928745 BYPZYUCNNLRWPO-BTYIYWSLSA-N 349.434 3.719 0 1 EHAF CC(C)CC(=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814265 SWIUSRGYVIRUCJ-MGPLVRAMSA-N 342.252 3.953 0 1 EHAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587775010 YAPSMTSZOGVMLH-MGPLVRAMSA-N 335.220 3.915 0 1 EHAF COc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(OC)c1 587873808 NRXMDSUGDRMRAD-UHFFFAOYSA-N 340.310 3.501 0 1 EHAF COC(=O)c1ccnc2[nH]c(-c3ccccc3-c3ccc(O)cc3)nc12 586898415 KVUCYLZTIRLYBY-UHFFFAOYSA-N 345.358 3.784 0 1 EHAF COc1ccc(Cl)c2c1CCN[C@@]2(C1=COCC1)C(F)(F)F 963271891 WWXRCERWLOKGPI-CQSZACIVSA-N 333.737 3.556 0 1 EHAF C[C@@H]1[C@H](c2ccccc2)C[C@@]12NCCc1ccc(C(=O)N(C)C)cc12 962935447 ZOSUNSJPTNXJJB-YIFZBPKDSA-N 334.463 3.553 0 1 EHAF C[C@H](NC(=O)c1ccccc1)c1cc2c(cc1Cl)OCCCO2 5175785 AAXRTAJUAWWENZ-LBPRGKRZSA-N 331.799 3.992 0 1 EHAF O=C(O)CCCCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12 13490386 WSOJCEPEONGXQG-UHFFFAOYSA-N 330.167 3.970 0 1 EHAF CC(C)NC(=O)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21 13608279 LDEUSBDRKIFANX-LBPRGKRZSA-N 341.249 3.759 0 1 EHAF NC(=O)c1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1 13673486 YMUNHDVCHMLVMN-UHFFFAOYSA-N 343.382 3.712 0 1 EHAF O[C@H](CCN1CCN(c2ccccc2Cl)CC1)c1ccsc1 13861766 PXJRWPJLTNUQTJ-QGZVFWFLSA-N 336.888 3.647 0 1 EHAF CN1C(=O)[C@@H](c2ccc(C#Cc3ccccc3)cn2)[C@@H]2CCCC[C@@H]21 204405891 OFHHFXKOVBOQJU-HLAWJBBLSA-N 330.431 3.596 0 1 EHAF COc1ccc(C(=O)[C@H](C)c2ccc(OC)c(OC)c2)c(OC)c1 1857645076 HIULSNURCWQFIL-GFCCVEGCSA-N 330.380 3.707 0 1 EHAF CC(C)(C)CN1CCOC[C@@H]1c1ncc(-c2ccc(F)cc2F)[nH]1 2356302179 NRQNGRAFZLMHOD-MRXNPFEDSA-N 335.398 3.774 0 1 EHAF COc1ccc([C@@H](CC(=O)Nc2nccs2)n2cccc2)cc1 4076995 RNYXEDXOIPJGGW-OAHLLOKOSA-N 327.409 3.571 0 3 EHAF Cc1[nH]c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2c1C 58591827 SLGGQXUSHMPWCU-UHFFFAOYSA-N 347.462 3.743 0 1 EHAF COc1ccc(-c2cn(Cc3ccccc3)c3ncnc(N)c23)cc1 29337888 MKTGFANUHUZAAM-UHFFFAOYSA-N 330.391 3.737 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ccncc2)/C1=C(\O)OCC(C)C 27558736 WCFWXTNVGBMRRO-JEFCNZTNSA-N 331.372 3.590 0 1 EHAF Cc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc2cccnc12 115595558 WVMUMGJCMIBIHB-VKCZAOEGSA-N 329.403 3.797 0 1 EHAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@H](c1ccccc1)O3 28866974 VICXCCIJNUZKDG-GOSISDBHSA-N 349.434 3.719 0 1 EHAF NCCCN(C/C=C/c1ccccc1)C(=O)c1c[nH]c2ccccc12 28825819 VXCVVXJIGNFSBV-UXBLZVDNSA-N 333.435 3.672 0 1 EHAF COC(=O)[C@]12C=C[C@@H]1[C@@H]1[C@](O)(CC[C@@H](C)[C@@]1(C)CCc1ccoc1)C2 2356587945 DIESKYKUAGQRNF-GHANWAIHSA-N 344.451 3.745 0 1 EHAF CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]2C1 2356629500 HVYJQUZFHNFBAD-DTKPQSEASA-N 332.440 3.953 0 1 EHAF CCC[C@H]1CC[C@@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 34319150 OKIGMIWWMUOWHE-BQFCYCMXSA-N 333.863 3.732 0 1 EHAF C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@H]1C[C@@](C)([C@@H]3CO3)C[C@@H]3O[C@]132 27645602 BAVAPCQGJJCZCO-UGKKBRBKSA-N 334.456 3.630 0 1 EHAF C[C@H]1Nc2ccc(N3CCCCC3)cc2C(=O)N1c1cccc(O)c1 72113391 BRQYKMOQBRVSGU-AWEZNQCLSA-N 337.423 3.801 0 1 EHAF CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@]12CCCCCC2=O 49116410 ATKURRGKWDEHAC-LEWJYISDSA-N 340.467 3.813 0 1 EHAF Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccn3)=N2)cc1 40430640 LBTFHMGRZDHVBT-UHFFFAOYSA-N 335.357 3.653 0 1 EHAF Cc1cc(-c2ccc(F)nc2F)nn(Cc2ccc(Cl)cc2)c1=O 1911578813 PGHWMVCVZPNHSA-UHFFFAOYSA-N 347.752 3.594 0 1 EHAF CCn1c(C(=O)NCCc2ccc(OC)cc2)cc2sccc21 40786462 OMYFLIFJTVYVNL-UHFFFAOYSA-N 328.437 3.704 0 1 EHAF NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96173992 SBJNLTJMRWOBMP-UHFFFAOYSA-N 340.390 3.512 0 1 EHAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(c3ccccc3)C2)O1 96018785 KFFJBCLKBFWLES-FPOVZHCZSA-N 344.499 3.853 0 3 EHAF COc1ccc([C@H]2CCc3cc(OC)c(OC)cc3C2=O)c(OC)c1 299861004 HJYMNQBTQOZCOT-OAHLLOKOSA-N 342.391 3.634 0 1 EHAF COc1cccc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)c1F 653666925 RNSAIXOSNPKCSJ-UHFFFAOYSA-N 335.338 3.917 0 1 EHAF COc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)c2C2CC2)cc1 653782707 BPYDFDHOSHVOGX-UHFFFAOYSA-N 334.379 3.610 0 1 EHAF Cc1cccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587150243 QWHMDWSPHXHFGU-CYBMUJFWSA-N 341.361 3.666 0 1 EHAF N=c1[nH]ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587195326 DXPGULDUJBZKOR-UHFFFAOYSA-N 329.407 3.577 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccc(F)cc1)O2 587385577 UAUMUCYETDHQPD-QGZVFWFLSA-N 337.354 3.813 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(CC/C=C/CCC(C)=O)[C@@H](C2)C3=O 587445519 KMIVCEUGDAXPQJ-WXVIEYATSA-N 328.408 3.907 0 1 EHAF Brc1ccc2nc(-c3csc4c3CCOC4)[nH]c2n1 587032267 RNPPAJWJTZZXOS-UHFFFAOYSA-N 336.214 3.522 0 1 EHAF N[C@H](N=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587036837 NWGWLUVYORQHGN-UONOGXRCSA-N 330.438 3.727 0 1 EHAF CCC[C@@H](C)CN1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587395218 LWBAYYCXNVCUMY-CQSZACIVSA-N 330.472 3.813 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@]2(N)CC[C@@]1(C)C2(C)C 587473463 VKKRRFDRCXSBPX-PCCBWWKXSA-N 343.467 3.976 0 1 EHAF COc1ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2n1 587075187 FPKXJRATSAVVQS-UHFFFAOYSA-N 339.786 3.781 0 1 EHAF CC(C)(O)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 13302721 MXPXAZNVQUWDFH-UXPWSPDFSA-N 330.424 3.649 0 1 EHAF O=C(Nc1cccc2c1C[C@@H](O)C2)N[C@@H]1CC[C@H](c2ccccc2)C1 169704851 YZQTXNNYKDDAPW-JQHSSLGASA-N 336.435 3.604 0 1 EHAF COc1cccc(C(=O)Nc2nc3cc(-c4ccccc4)ccn3n2)c1 1857552482 CMLCFSRTKCVQAE-UHFFFAOYSA-N 344.374 3.657 0 1 EHAF C1=Nc2ncccc2OCCOc2cccnc2N=Cc2ccccc21 253650644 HDDXUMSQLAFKEY-UHFFFAOYSA-N 344.374 3.749 0 1 EHAF NCCCCN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 13743898 SBNSZHJZYONSNC-GOSISDBHSA-N 344.886 3.775 0 1 EHAF Fc1ccc(-c2noc(C3CCN(Cc4cccnc4)CC3)n2)cc1 1351925 GESYMTNOJWEPPG-UHFFFAOYSA-N 338.386 3.650 0 3 EHAF C[C@]12N[C@@H](Cc3ccc(I)cc31)c1ccccc12 100649207 RRYINJUHCRONBF-JKSUJKDBSA-N 347.199 3.755 0 1 EHAF CNC(=O)N(C)[C@H]1c2cccnc2Oc2cccc(C(F)(F)F)c21 28006844 BCIRIVLURVTDBA-ZDUSSCGKSA-N 337.301 3.567 0 1 EHAF O=c1cc(N2CCOCC2)oc2c(-c3ccccc3Cl)cccc12 26725045 LSQASIDEPGAHAB-UHFFFAOYSA-N 341.794 3.950 0 1 EHAF Fc1ccc(C(N[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2ccc(F)cc2)cc1 101060914 HKWYFLNOIRZTIH-BWTSREIZSA-N 328.406 3.927 0 1 EHAF CCN(CC)Cc1ccc([C@@H](c2ccccc2)N2CCNCC2)cc1 22939705 LKBPJFREZQNIIF-JOCHJYFZSA-N 337.511 3.523 0 1 EHAF CCCn1cc(-c2cc(C(=O)NC(C)C)c3ccc(F)cc3n2)cn1 20208425 BFQNHOQIPDMLJT-UHFFFAOYSA-N 340.402 3.786 0 1 EHAF CCOc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1 29048947 MYIGEQURFWGOFU-RTBURBONSA-N 347.842 3.847 0 1 EHAF in-vitro Cc1cc(CCCCCOc2ccc(C3=NC[C@@H](C)O3)cc2)on1 29489057 AYTLEMXTZIFMEK-OAHLLOKOSA-N 328.412 3.940 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(CO)C(=O)CC[C@H]32)C1 2356621777 PRBXKEWXBFDLIT-BJSXQCTJSA-N 348.483 3.502 0 1 EHAF COc1cc2cc(C(=O)c3ccc(C)cc3)[nH]c2c(OC)c1OC 66076523 SNVDUKUUGGHQBW-UHFFFAOYSA-N 325.364 3.733 0 1 EHAF COc1ccc(-c2c[nH]c3ncc(-c4cncc(N)c4)cc23)cc1OC 64559875 UOEZVMBYMMMIIY-UHFFFAOYSA-N 346.390 3.891 0 1 EHAF O=C(O)c1cccc(Cc2c(-c3ccccc3)nn3cc(F)ccc23)n1 216340879 UCAKUQXGKYVQPX-UHFFFAOYSA-N 347.349 3.824 0 1 EHAF c1ccc(N2CCN([C@H]3CCc4[nH]c5ccccc5c4C3)CC2)cc1 39214004 NYGMSRICXRZYIQ-SFHVURJKSA-N 331.463 3.847 0 1 EHAF Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1-c1cc(F)cc(F)c1 42922533 OFBXDLVRMTULIV-MFKMUULPSA-N 343.780 3.999 0 1 EHAF CNc1nnc(-c2ccc3[nH]cc(-c4cccc(F)n4)c3c2)s1 145418203 RSJHIJPWHNIXEY-UHFFFAOYSA-N 325.372 3.929 0 1 EHAF O=c1cc(CO)oc([C@H](Sc2ccccc2)c2ccccc2)c1O 299833361 RTMHYNWHDZWBRO-LJQANCHMSA-N 340.400 3.719 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](CCc1ccnc(OC)c1)CC2=O 587487741 NPPJYPFUFDUTHA-CQSZACIVSA-N 341.407 3.715 0 1 EHAF FC(F)(F)Oc1cccc2nc(Cc3csc4nccn34)[nH]c12 587041173 WJLVSHBIQJXUHL-UHFFFAOYSA-N 338.314 3.762 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](/C=C\OCC)(C(F)F)CC2=O 587464815 AJGAMYYKXBZRKZ-XZVRFQMRSA-N 326.339 3.864 0 1 EHAF Clc1ccc(-n2cc(-c3nc4cc(Cl)ncc4[nH]3)nn2)cc1 587076818 UQKQVCCYXIBZQM-UHFFFAOYSA-N 331.166 3.512 0 1 EHAF Cc1nc2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2cc1Br 586885820 OBHOSTDNRUMZJG-OUAUKWLOSA-N 346.228 3.668 0 1 EHAF COc1cc2c3c(c1)O[C@H](CCc1cccc4ccncc14)[C@@H](C2)C3=O 587434990 AQLXNGKGVDOUDA-IEBWSBKVSA-N 345.398 3.992 0 1 EHAF O=C(O)c1ccccc1/C=C/c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586880492 QSTXMFTZVZESPI-AATRIKPKSA-N 344.273 3.753 0 1 EHAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1OC 587518612 MHXHSGDAVCOLIR-GOSISDBHSA-N 339.391 3.684 0 1 EHAF C[C@H](F)[C@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587123460 JZGWZYXKKBLSIJ-NVNXEXLPSA-N 340.118 3.702 0 1 EHAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@H]2C1=COCC1 962948587 CAEPIHQKGPMLJB-INIZCTEOSA-N 339.357 3.702 0 1 EHAF O=C(N[C@H]1CCc2c(Cl)cc(Cl)cc21)[C@@H]1COc2ncccc21 205628310 PNDDUDLCJXTQSQ-HIFRSBDPSA-N 349.217 3.668 0 1 EHAF Cc1ccc2c(c1)cc1n2CCN2C(=O)c3cc(F)ccc3N(C)[C@H]12 221967070 CJBVZDZOBJMDSD-IBGZPJMESA-N 335.382 3.693 0 1 EHAF Cc1ccc(C2=NO[C@H](COc3ccc4ccc(=O)oc4c3)C2)cc1 1772598160 DJEJYSDZGFGPHF-KRWDZBQOSA-N 335.359 3.673 0 1 EHAF CC1=C[C@@H](O)C[C@H]2[C@@]1(C)C[C@H](O)[C@@H](C)[C@]2(C)CC/C(C)=C/C(=O)O 13484002 QKDIWLCDONOATB-DWDXVFNISA-N 336.472 3.538 0 1 EHAF Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CC2)s1 13587441 CQZZCFVTEOJWAW-UHFFFAOYSA-N 335.816 3.706 0 1 EHAF CC(C)N(O)C(=O)NCCSc1nc2cc(Cl)ccc2s1 13650922 DWHPFYCYVAFBHA-UHFFFAOYSA-N 345.877 3.851 0 1 EHAF ONc1cccc(CNc2cc(Br)cc3[nH]ncc23)c1 1857539498 DMHWMYMTZIDPJG-UHFFFAOYSA-N 333.189 3.739 0 1 EHAF Cc1oc2ncnc(Nc3cccc(Br)c3)c2c1C(=O)O 1857655136 IDDDPBUECDBNJX-UHFFFAOYSA-N 348.156 3.736 0 1 EHAF CN(C)c1cc(O)ccc1C(=O)NCCc1ccc(C(C)(C)C)cc1 1857758819 RYQYKKKODWWFBN-UHFFFAOYSA-N 340.467 3.728 0 1 EHAF COc1ccccc1C(=O)N[C@@H](C)c1cc2c(cc1Cl)OCCO2 356839 RPEIIBSVBSNKQY-NSHDSACASA-N 347.798 3.611 0 1 EHAF CC(C)[C@@H](c1nnnn1C1CCCC1)N1CCCc2ccccc21 417496 VEIXNOODGDTSHF-SFHVURJKSA-N 325.460 3.938 0 3 EHAF c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3nccs3)cc2)cc1 100114516 UYSZVPWXWSHKJC-CEQLMSFQSA-N 347.487 3.750 0 1 EHAF CSc1ccc(C(=O)c2c(Cl)cc3n2CC[C@H]3C(=O)O)cc1 27893179 LOSVOZXNZJGQFC-LLVKDONJSA-N 335.812 3.666 0 1 EHAF COc1cc(C(=S)NCc2ccc(C(F)(F)F)cc2)ccc1O 66123904 GBTUNMIREUWLMD-UHFFFAOYSA-N 341.354 3.885 0 1 EHAF CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccccn2)cc1 26675201 QIIVYFCKLOBDST-UHFFFAOYSA-N 344.823 3.868 0 1 EHAF O=C(COc1ccc(Cl)cc1)Nc1ccc([C@@H]2CCCNC2)cc1 117726234 IDJMOIFPGUUKFN-OAHLLOKOSA-N 344.842 3.825 0 1 EHAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 73223868 WJQMVNBJCNFHHV-MRXNPFEDSA-N 343.492 3.784 0 1 EHAF c1ccc(CCNc2ccnc(Nc3ccc4cn[nH]c4c3)n2)cc1 45303106 GZTRPYPEEXBASS-UHFFFAOYSA-N 330.395 3.751 0 1 EHAF O=C(O)CCC(=O)Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1 84618611 KBRNKLADZCAKKG-UHFFFAOYSA-N 344.314 3.632 0 1 EHAF COC(=O)c1c(-c2ccc(N(C)C)cc2)oc2c1[C@H](OC)CCC2 95566681 ATGQGRZEFNUFOL-CQSZACIVSA-N 329.396 3.823 0 3 EHAF C[C@@H]1CN2[C@@H](CC[C@@H](C)[C@@H]2c2ccc(Br)cc2)C(=O)O1 96017960 UVNCKUCDEJMPKS-HKCMKHECSA-N 338.245 3.536 0 1 EHAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3C[C@H]4[C@H]5C[C@]3(CC[C@@H]12)C[C@@]45C(=O)O 238776983 IZVVICZFHFZOPG-UBXDGYJRSA-N 332.440 3.795 0 1 EHAF COc1ccc2c(c1)c([C@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2C 587388951 CGFTUGQQECZCHM-LJQANCHMSA-N 336.391 3.784 0 1 EHAF CCO[C@@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587806405 AKXLILQWLGZPEP-DFKRKDTASA-N 328.225 3.517 0 1 EHAF CCOC(=O)c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 587781317 SVCDFNKXJWLIOM-RMKNXTFCSA-N 336.391 3.970 0 1 EHAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@H](C)O)CC2=O 587488425 IWTOBCRNFSYWBY-QKKBWIMNSA-N 340.419 3.895 0 1 EHAF CC(=O)[C@@H](c1cc2c3c(cccc3n1)CC2)c1ccccc1C(=O)O 587215261 KKKNFRCVQNGBRU-LJQANCHMSA-N 331.371 3.753 0 1 EHAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)C2 586884884 JRZMKUMJYZVPHO-RWMBFGLXSA-N 336.370 3.527 0 1 EHAF COC(=O)[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587524712 MKEHKCJMOFCOHH-VBKZILBWSA-N 328.408 3.633 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CSc1nc(C)cc(C)n1)O2 587408447 GMMXCSSWZHWZKD-SFHVURJKSA-N 343.452 3.500 0 1 EHAF O=C(O)/C=C/C=C\c1nc2c(Br)cc(Cl)cc2[nH]1 587965964 REHPDVRLRFYRME-HSFFGMMNSA-N 327.565 3.633 0 1 EHAF Cc1ccnc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc12 587029042 GCWFGRLESMJZRN-UHFFFAOYSA-N 346.419 3.788 0 1 EHAF 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CC(=O)Nc1cccc(-c2cncc(NCCOc3ccccc3)n2)c1 13679287 UHEGFFPCYMLGKR-UHFFFAOYSA-N 348.406 3.593 0 1 EHAF O=C(O)CCCc1ccc(NC(=O)CCOc2ccccc2)cc1 26575789 UUPUFUSNLOLATQ-UHFFFAOYSA-N 327.380 3.502 0 1 EHAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)CC[C@@H](C2CCCCC2)O3)S1 26962940 JFWPCWZTIJKSEU-RDJZCZTQSA-N 345.464 3.855 0 1 EHAF C[C@H]1COc2c1cc1c(c2O)[C@@]23CCCC(C)(C)[C@@H]2C[C@@H]1OC3=O 32296317 GNMZEYKZSUSJFQ-UEHSGRLWSA-N 328.408 3.954 0 1 EHAF CCOc1ccc([C@@H]2C[C@H]2c2nnc3c4ccccc4cnn23)cc1 49055435 ZKIVPTMNBDORCE-ZWKOTPCHSA-N 330.391 3.947 0 1 EHAF OCC[C@@H]1Cc2ccccc2C2(CCN(CC3CCCCC3)CC2)O1 53297464 FRJOSMBCEYLCCL-HXUWFJFHSA-N 343.511 3.882 0 1 EHAF Nc1cc(-c2ccccc2)n(Cc2coc(-c3ccc(O)cc3)n2)n1 72183829 BTHQLICOBDINDG-UHFFFAOYSA-N 332.363 3.541 0 1 EHAF CCCCNc1ncc(C(=O)N(C)CC)c(-c2cccc(C)c2)n1 82147318 QUUIWWZCZOEMSO-UHFFFAOYSA-N 326.444 3.756 0 1 EHAF NC(=O)c1ccccc1Nc1cccc(NC(=O)Cc2ccccc2)c1 95575364 AEGGHNOOIXZHAA-UHFFFAOYSA-N 345.402 3.710 0 1 EHAF NNc1nc(-c2ccccn2)nc2sc3c(c12)CCCCCC3 96903271 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UWKGRSQRGUEGMP-QGZVFWFLSA-N 327.399 3.796 0 1 EHAF CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1OCC)C2 1369979 ZJDIMJHGWXGDLC-IAGOWNOFSA-N 330.472 3.611 0 1 EHAF COc1cc2ncnc(Nc3nccc4ccccc34)c2cc1OC 3815305 CCFFFEGDTIMEEI-UHFFFAOYSA-N 332.363 3.939 0 1 EHAF CNC(=O)[C@H](OC)c1cccc(COc2cc(C)ccc2Cl)c1 103177226 YDGJRZNRRWOOHX-QGZVFWFLSA-N 333.815 3.661 0 1 EHAF CC(=O)N1CCC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26945085 PAPPHBRFOXAGKW-DTGNRIQCSA-N 333.516 3.991 0 1 EHAF Cc1c([C@@H](C)c2c(F)cccc2F)nc(N2CCCCCC2)[nH]c1=O 28866761 PRPZOZFRKPGSLL-LBPRGKRZSA-N 347.409 3.889 0 1 EHAF Cc1nnc(NC(=O)N(C)Cc2csc(-c3ccccc3)n2)s1 23541071 CBUYKXRPXVLLHF-UHFFFAOYSA-N 345.453 3.634 0 1 EHAF COc1cccc(CN2CC[C@@]2(C)C(=O)Nc2ccc(C)cc2)c1F 61895551 CAAVKIJJWVPHLI-FQEVSTJZSA-N 342.414 3.746 0 3 EHAF COc1ccccc1-c1c[nH]c([C@H](O)c2cc(C)c(OC)c(C)c2)n1 61905874 HRCQPWJDBRBRCA-GOSISDBHSA-N 338.407 3.792 0 3 EHAF O=C1O[C@@]2(Oc3ccc(-c4ccccc4)cc3C2=O)c2ccccc21 95588592 TWVWSVUPMQKTHN-NRFANRHFSA-N 328.323 3.952 0 1 EHAF CCO[C@H](CC(=O)O)c1ccc(NC(=O)c2ccccc2C)cc1 473109846 TXGLECKWAMQZFX-QGZVFWFLSA-N 327.380 3.800 0 1 EHAF Cc1c(F)cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F 587132342 BWQLUNUCGIMBMB-UHFFFAOYSA-N 343.377 3.649 0 1 EHAF CCS(=O)(=O)c1ccc2nc(CNc3ccccc3Cl)[nH]c2c1 587062494 UFJZMZZAFSWNAY-UHFFFAOYSA-N 349.843 3.622 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)nn1)CC2=O 587462074 OYARDNATDANSOA-KRWDZBQOSA-N 332.787 3.669 0 1 EHAF O=C1C[C@]2(CCN[C@@H]3CCCC[C@@H]32)Oc2c1ccc1c2CCCC1 587525187 SYUJFASZKLTSPF-UEXGIBASSA-N 325.452 3.822 0 1 EHAF Cc1cccc2sc(-n3ncc4ccc(Cl)cc4c3=O)nc12 587653590 JTIWISFSZXQMTH-UHFFFAOYSA-N 327.796 3.957 0 1 EHAF CNc1c(F)cccc1-c1nc2cc(Br)c(C)nc2[nH]1 587135930 SDILRTDSHZHIHA-UHFFFAOYSA-N 335.180 3.877 0 1 EHAF COc1ccc(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1OC 587927444 UQICSWQPGNRQTF-UHFFFAOYSA-N 325.412 3.863 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c[nH]cc32)N1 587791258 KPWUADWDQCQBQH-XXFAHNHDSA-N 335.220 3.640 0 1 EHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(Cl)ccnc4[nH]1)(C3)C2 587950740 UIMVCNLYLGOTBP-CCHVVGMOSA-N 345.830 3.765 0 1 EHAF O=C(CCc1nc2ccnc(Br)c2[nH]1)c1ccc(F)cc1 587162667 KHNCQYNDHUBWHN-UHFFFAOYSA-N 348.175 3.675 0 1 EHAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2c(Cl)c(Br)cnc2[nH]1 587963970 WYEHACACHCAQRR-NKWVEPMBSA-N 342.624 3.532 0 1 EHAF Cn1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)n1 587629463 QXMSYCPWESMOSH-UHFFFAOYSA-N 327.693 3.809 0 1 EHAF CC[C@@]1(c2cc(C(=O)O)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 587381032 FKSMDEQYJLXOLY-IBGZPJMESA-N 343.354 3.685 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccn2)N1 587727515 BNUWVDBXNWKLCF-AYVTZFPOSA-N 339.183 3.746 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(F)c1 587870345 FGOGFICPVDGCAA-UHFFFAOYSA-N 328.318 3.916 0 1 EHAF COC(=O)c1c(-c2cncc(Br)c2)[nH]c2cccc(F)c12 587633038 WWGHFMOLSDNRBQ-UHFFFAOYSA-N 349.159 3.918 0 1 EHAF CC(C)c1nn(C)c2c1[C@H](c1cc3c(Cl)cccc3[nH]1)NCC2 962923140 YISRLCVGHDCBRL-SFHVURJKSA-N 328.847 3.913 0 1 EHAF COc1ccc2c(c1)[C@H](c1cnn(CC(C)C)c1)N(C(C)C)CC2 962087485 FDUBLNOLQVAEAZ-FQEVSTJZSA-N 327.472 3.904 0 1 EHAF COc1cc2c(cc1N)CC[C@H]1C(C)(C)c3oc(C)nc3C[C@]21C 1772627000 YBZHFFUKAQTXBY-FXAWDEMLSA-N 326.440 3.928 0 1 EHAF CCC(=O)NCCc1c2n(c3ccc(OC)cc13)Cc1ccccc1-2 13494151 NPFXRLZZJCWNFC-UHFFFAOYSA-N 334.419 3.747 0 1 EHAF COc1cccc(C[C@@]2(CO)CCCN(Cc3ccc(C)s3)C2)c1 13594424 QJEVCKXGZCIPED-FQEVSTJZSA-N 345.508 3.882 0 3 EHAF C[C@H]1CCC[C@H](n2cnc3c(sc4nccc(N(C)C)c43)c2=O)C1 13676135 ZAFIKJPXKKFWNF-RYUDHWBXSA-N 342.468 3.823 0 1 EHAF CCn1c(=O)ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc21 13835419 YXIUYZXMIAZJEP-UHFFFAOYSA-N 349.438 3.545 0 1 EHAF CN1CCC(=C2c3ccccc3C3=C(C(=O)OC3)c3ccccc32)CC1 169321197 DXRIPTFLFSVOTB-UHFFFAOYSA-N 343.426 3.995 0 1 EHAF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC(C)=O)ccc3CC[C@@H]12 206476064 ZABWQWWKTVPXTP-RLLQIKCJSA-N 330.424 3.795 0 1 EHAF O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2c1 205446860 KSOSMBIHLIURIR-UHFFFAOYSA-N 337.354 3.734 0 1 EHAF CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccccc2)NC(=O)N1C 321698 DWPSISLSMNJBAE-GOSISDBHSA-N 335.407 3.604 0 1 EHAF COc1ccc(Nc2nc(N)c(C(=O)c3cccs3)s2)cc1 1658111 WKYZBJBRRCHNQC-UHFFFAOYSA-N 331.422 3.770 0 1 EHAF COc1ccc(C(=O)c2cccn2-c2cc(F)c(O)c(F)c2)cc1 66099973 WQAXNTYEDLMMQI-UHFFFAOYSA-N 329.302 3.701 0 1 EHAF CN(C)CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2[nH]ncc2c1 66073644 BMFRTFUXTDHARJ-UHFFFAOYSA-N 349.413 3.794 0 1 EHAF CCN(CC)C(=O)c1ccc(-n2sc3ccccc3c2=O)cc1 64622017 GITMLWYZKIXVRH-UHFFFAOYSA-N 326.421 3.534 0 1 EHAF COc1cc(-c2cc3cc(C=CCO)cc(OC)c3o2)ccc1O 2356716819 ZDQCRQVGMKIBPN-UHFFFAOYSA-N 326.348 3.828 0 1 EHAF C[C@H](N)c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 61927849 IYYFGNRMDWXTTJ-ZETCQYMHSA-N 330.335 3.826 0 3 EHAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC(=O)N4 36387857 RVBWHVSPPRATHB-RHIYDUGSSA-N 347.499 3.831 0 3 EHAF COc1ccc2c(c1OC)NC13CCC4(CCCN5CC[C@@]21[C@H]54)CC3 13373746 CUWCJMATGRBAQN-UEKLYDJUSA-N 340.467 3.548 0 1 EHAF biogenic c1ccc(Nc2ccc(Oc3nccnc3N[C@@H]3CCOC3)cc2)nc1 139196569 VVSYHEGYISRUIN-OAHLLOKOSA-N 349.394 3.608 0 1 EHAF COc1ncc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1 49109917 SRXOZHFYOQRTMB-OAHLLOKOSA-N 348.450 3.727 0 1 EHAF Cc1c(OCc2cccc(Cl)c2)cccc1C1(O)CCNCC1 40937312 DFIJOVAIPZDSLD-UHFFFAOYSA-N 331.843 3.798 0 1 EHAF CC(C)c1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1 224549642 MRXJUDCQNISENV-UHFFFAOYSA-N 325.347 3.571 0 1 EHAF c1ccc(Nc2ccc(Oc3nccnc3[C@@H]3CCOC3)cc2)nc1 148107950 MIZWBKPBMVJMHT-CQSZACIVSA-N 334.379 3.911 0 1 EHAF CCc1nc2c(C)ccc3c2c(c1CC(=O)O)-c1ccccc1C3=O 587100684 OHGQEMIHYBYZDT-UHFFFAOYSA-N 331.371 3.944 0 1 EHAF COc1cc(C2(c3nc4cc(C(=O)O)c(F)cc4[nH]3)CC2)ccc1C 587925629 BURIZRQWYKIPDB-UHFFFAOYSA-N 340.354 3.797 0 1 EHAF COC(=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2n1 587085604 WKTRSDIKZDUOMD-UHFFFAOYSA-N 338.754 3.613 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)nn1C1CCCC1)O2 587392646 USZMOGWKHFGHLA-SFHVURJKSA-N 325.412 3.904 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cccc(C)c3nc1O)O2 587394802 JVEHVLVDKIYRAB-QGZVFWFLSA-N 334.375 3.846 0 1 EHAF C[C@@H]1CCc2sc(-c3nc4nc(Br)c[nH]c-4n3)cc2C1 587034699 YHHBDZINSHZKBV-SSDOTTSWSA-N 349.257 3.920 0 1 EHAF Nc1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc2ccccc12 587254449 QFKJFVTYUZMYEU-UHFFFAOYSA-N 329.285 3.726 0 1 EHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(OC)c2[nH]1 586963640 PPEJUTBYOJDOCB-GFCCVEGCSA-N 330.413 3.619 0 1 EHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OC 587374116 GRLJXEDBIKKOED-HNNXBMFYSA-N 347.798 3.954 0 1 EHAF C[C@@H]1Nc2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587521901 DFLDHBNHYFVWLZ-XMHCIUCPSA-N 347.414 3.809 0 1 EHAF Oc1cccc(CCCCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 586896818 YXNGENXVIZXBSD-UHFFFAOYSA-N 336.317 3.594 0 1 EHAF Oc1nc2cc3nc(Cn4ccc5ccc(Cl)cc54)[nH]c3cc2[nH]1 587081138 WHANBPVZNZDAGG-UHFFFAOYSA-N 337.770 3.801 0 1 EHAF CCCN1[C@@H](C)Cc2ccccc2[C@]12C(=O)Nc1cc(F)cc(F)c12 963223880 DKSSFOIKXNORKM-YUNKPMOVSA-N 342.389 3.817 0 1 EHAF Cc1ccc([C@@]2(C(C)(C)C)N[C@H](C(=O)O)Cc3cccc(F)c32)o1 962919760 LMGMXMLFFFBHIM-IFXJQAMLSA-N 331.387 3.616 0 1 EHAF COC(=O)c1cc(/C=C\c2cc(OC)ccc2OC)ccc1OC 6041490 OMGCUEKECQBFBC-ALCCZGGFSA-N 328.364 3.669 0 1 EHAF CC(C)(C)n1c(-c2cccnc2)nc2cc(-c3cnc(N)nc3)ccc21 169703419 LRTZWBNPMBHIQL-UHFFFAOYSA-N 344.422 3.893 0 1 EHAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1csc(C)n1 167474320 AWEIXZLKENNCKP-CQSZACIVSA-N 346.452 3.723 0 1 EHAF CC(=O)Cn1c(=O)nc(-c2ccccc2)c2c3c(sc21)CCCC3 1857586647 QSPVABUNQWSKKK-UHFFFAOYSA-N 338.432 3.593 0 1 EHAF N#Cc1ccccc1NC(=O)c1cn2cc(-c3ccccn3)ccc2n1 145231434 ZNEIYRJZZRQLAY-UHFFFAOYSA-N 339.358 3.520 0 1 EHAF CC(C)CC(=O)C(=O)NCCc1cn(-c2ccccc2)c2ccccc12 1547144 MPFJVTXECQSEHQ-UHFFFAOYSA-N 348.446 3.904 0 1 EHAF O=C(CCCSc1nnnn1-c1ccccc1)C1CCCCC1 1890128 HNNQYYDGTCRRIK-UHFFFAOYSA-N 330.457 3.684 0 1 EHAF investigational O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(C2CCCCCC2)CC1 113838681 UGGIDYGNMYKQNL-PMACEKPBSA-N 326.484 3.657 0 1 EHAF CN(C)CCN1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O 26296786 ZMSDWJNUJMOYPQ-UHFFFAOYSA-N 344.414 3.664 0 1 EHAF CC(=O)CC[C@H](C=C[C@](C)(O)CC=C[C@]1(C)CCC(=O)O1)C(C)C 2356571286 NONYMPHQXUGMIU-MISYRCLQSA-N 336.472 3.977 0 1 EHAF COc1ccc2nc(C)c3c(C)nc(-c4cnccc4Cl)n3c2n1 73169456 LXNUCQLVMSHVOF-UHFFFAOYSA-N 339.786 3.618 0 1 EHAF O=C1Nc2ccccc2-c2nc3ccccc3c(=O)n2-c2ccccc21 1911580313 FFSXSZUXNIHKFJ-UHFFFAOYSA-N 339.354 3.618 0 1 EHAF Cc1cc(NC(=O)Nc2nnc(-c3ccncc3)s2)ccc1F 96284279 RQLLFUCCUVJQRT-UHFFFAOYSA-N 329.360 3.692 0 1 EHAF CC1=CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O 39560276 OFZLWKQJQGKQGV-XUPXCSPLSA-N 338.488 3.618 0 1 EHAF biogenic COc1ccc(C[C@@H](C)c2nc3cc(Cl)ncc3[nH]2)cc1OC 587927089 RLCIFSIGMZRABD-SNVBAGLBSA-N 331.803 3.975 0 1 EHAF COC(=O)C[C@H](C)Cc1nc2cc(Cl)cc(Br)c2[nH]1 587782941 AVKAHDIAIXAJSD-SSDOTTSWSA-N 345.624 3.721 0 1 EHAF O=C(O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068156 JCRXXBXUIOUAQG-UHFFFAOYSA-N 338.754 3.972 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCn3cccc32)N1 587773377 QXKLUYKWLDTFCZ-QLJPJBMISA-N 335.220 3.571 0 1 EHAF COc1ncc(F)cc1-c1nc2c(C)c(Br)ccc2[nH]1 587174895 NNUQTROGZKZNBW-UHFFFAOYSA-N 336.164 3.844 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCOCC2)N1 587833074 FJIXOKCYTDXYKV-BJOHPYRUSA-N 328.225 3.590 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ccccn3)n1)O2 587413418 NJZALPFYPZVVMQ-MRXNPFEDSA-N 337.404 3.802 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCCOCC2)[C@@H]1c1ccc(F)cc1 587355160 CMFDZAMKAQERIB-QUCCMNQESA-N 342.366 3.830 0 1 EHAF O=C(c1ccc(Cl)cc1F)n1ncc2ccc(Cl)cc2c1=O 587651250 FXSPDCFUSDYRJA-UHFFFAOYSA-N 337.137 3.531 0 1 EHAF COC(=O)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1OC 587130701 ORGUPMZAVYNZFG-UHFFFAOYSA-N 348.305 3.627 0 1 EHAF Cc1c(-c2c[nH]ccc2=N)[nH]c2c1c(Br)cc1n[nH]cc12 587623346 QNRUGYFYQWOWHP-UHFFFAOYSA-N 342.200 3.590 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)cc1)[C@@H](C2)C3=O 587440515 AVSNKNCPTADPCH-UWJYYQICSA-N 335.403 3.784 0 1 EHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Cl)cncc2[nH]1 587147943 VNPDBPXKMJWAKM-UHFFFAOYSA-N 345.740 3.957 0 1 EHAF CCS(=O)(=O)c1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1 587173955 DQMKIVWRWBKASH-UHFFFAOYSA-N 344.367 3.909 0 1 EHAF CC(=O)Nc1ccc(-c2[nH]c3cc(F)ccc3c2CC(=O)O)cc1 587635960 VCBUUHPYOYESBK-UHFFFAOYSA-N 326.327 3.560 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccns1 587616522 DICSMOAZKLXVMQ-RHSMWYFYSA-N 325.345 3.552 0 1 EHAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ncc[nH]c-4n3)c2)cc1 587067527 FMVXMYXVUUSULP-UHFFFAOYSA-N 336.782 3.784 0 1 EHAF Cc1ccccc1NC(=S)n1ncc2ccc(Cl)cc2c1=O 587654538 LKVSPXQBYVHSBK-UHFFFAOYSA-N 329.812 3.603 0 1 EHAF COc1cncc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587086784 FPNMBZRHSLWRSI-UHFFFAOYSA-N 337.770 3.744 0 1 EHAF Cc1ccsc1[C@@]1(CCC(=O)O)NCCc2cc(Cl)ccc21 963378480 FUMORKSOBWAPEG-KRWDZBQOSA-N 335.856 3.964 0 1 EHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1cccc(Cl)c1 19418878 CVMLRZLTFZHPGP-XERWBJCMSA-N 335.787 3.761 0 1 EHAF O=C1C[C@@]2(CCc3ccccc32)OC(=O)[C@H]1SCc1ccccc1 169684763 XPUQKCAVFSZBQC-AZUAARDMSA-N 338.428 3.646 0 1 EHAF O=C(/C=C/c1ccccc1)Nc1cc(Nc2ccc(O)cc2)ncn1 1857774501 ZLHHCOGCSWCKPA-IZZDOVSWSA-N 332.363 3.578 0 1 EHAF CCn1ncc(Oc2c(Cl)cc(N)cc2Cl)c(Cl)c1=O 1864887 YERYCQASXNZRFY-UHFFFAOYSA-N 334.590 3.598 0 1 EHAF COc1cccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(Cl)cc2)c1 58046068 HVYHFTAAHYUHCJ-QZTJIDSGSA-N 342.826 3.858 0 3 EHAF CC1(C)[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)C1CCC(=O)CC1 115792755 BAHNDLQFFNMREG-KNQAVFIVSA-N 339.479 3.887 0 1 EHAF CC(=O)NCn1cc(-c2ccc(-c3ccc(Cl)s3)cc2)c(=O)o1 28466705 NQISVIPAJPJSLZ-UHFFFAOYSA-N 348.811 3.584 0 1 EHAF COc1c([C@@H](CC(C)=O)c2ccc(O)cc2)c(=O)oc2ccccc12 27559069 WGQJNDLRGFMVCQ-INIZCTEOSA-N 338.359 3.618 0 1 EHAF COc1ccc([C@H]2CC[C@@H](OCCCc3ccccn3)O2)cc1OC 29308580 XRIFQYHIEUXPPC-XLIONFOSSA-N 343.423 3.926 0 1 EHAF Cc1cc(=O)c2c(o1)O[C@@H]1[C@H](CC[C@H]3C(C)(C)C(=O)CC[C@]13C)C2 2356717626 CPKRFLHGFOUEQI-BWYUNELBSA-N 330.424 3.673 0 1 EHAF NCCCCN(Cc1ncccc1Cl)[C@@H]1CCCc2cccnc21 66077033 FOWXMKVMFNLPCV-GOSISDBHSA-N 344.890 3.749 0 1 EHAF OCc1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1 64549549 ROQCTOMAERRHLK-UHFFFAOYSA-N 341.314 3.826 0 1 EHAF CC(C)c1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231752 GKUBNAGRUAJEER-ZFWWWQNUSA-N 326.444 3.601 0 1 EHAF COc1cccc(CSc2nnc(-c3ccc(OC)cc3O)o2)c1 84633548 NNXNPWWURVXMEJ-UHFFFAOYSA-N 344.392 3.752 0 1 EHAF CC1=CCC[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@@H](C)CC(=O)[C@@]13CO4 238769234 HNNFHZJWACUQJP-MLCHDBGUSA-N 328.408 3.963 0 1 EHAF CN(C)CCNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 96286367 AVLJGDZDWUWISV-UHFFFAOYSA-N 331.423 3.523 0 1 EHAF O=C([C@@H](Cc1ccccc1)c1ccccc1)N1CCN2CCCC[C@H]2C1 254092531 KDGYKSGVNUMKPP-VXKWHMMOSA-N 348.490 3.710 0 1 EHAF O=C(NC[C@H]1CCc2ccccc2N1Cc1ccccc1)C1CCC1 473112251 BUSSQDIMFNHHOV-HXUWFJFHSA-N 334.463 3.924 0 1 EHAF N[C@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@@H]1c1ccccc1F 587154291 CYOVDHZGEMZEHK-VPTHRUTESA-N 337.732 3.975 0 1 EHAF Fc1ccc(S)cc1-c1nc2c(F)cnc(Br)c2[nH]1 587141548 SQKSPRUGSTZRLK-UHFFFAOYSA-N 342.168 3.954 0 1 EHAF N=c1ccc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c[nH]1 587254815 PVDSIZMCWJVDHY-UHFFFAOYSA-N 326.709 3.633 0 1 EHAF O=C(CCCN1C(=O)c2ccccc2C1=O)c1coc2ccccc12 587280664 QHJUOUKSTQYDSE-UHFFFAOYSA-N 333.343 3.692 0 1 EHAF Fc1cnc2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587012488 JYMCQKOBSGSPDZ-UHFFFAOYSA-N 339.193 3.860 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(CN3CCCC3)cs1)O2 587410504 OCXGAQXUZKVTIZ-QGZVFWFLSA-N 342.464 3.941 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3cc(Cl)ccc3n1C)O2 587379605 JOTMZSSBSKZXCC-MRXNPFEDSA-N 341.798 3.824 0 1 EHAF COc1cc(-c2nc3cc(F)cc(F)c3[nH]2)nn1-c1ccccc1F 587156354 MNVJMBOYXHIBAW-UHFFFAOYSA-N 344.296 3.842 0 1 EHAF O=C(COc1ccc(F)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874143 VLULIEYZFMYKTB-UHFFFAOYSA-N 328.274 3.653 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](C(=O)OC)CC1)CC2=O 587484210 YXDZZSZRJBRYEN-RNODOKPDSA-N 346.423 3.802 0 1 EHAF Cc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2n1 587004514 VQNDAKWJHRTDPF-UHFFFAOYSA-N 328.173 3.572 0 1 EHAF CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(F)(F)F 587629144 WCPJIYUFGVAVKJ-UHFFFAOYSA-N 337.656 3.882 0 1 EHAF CN(C)C1(c2ccccc2)CCC2(CC1)NCCc1ccc(O)cc12 963341090 JYLLCVKZXDSZMV-UHFFFAOYSA-N 336.479 3.764 0 1 EHAF COc1cc(/C=C/C(=O)O)ccc1OCCCCCCN1CCCC1 1772597413 JIQGNGJSPXZNBD-PKNBQFBNSA-N 347.455 3.828 0 1 EHAF O=[S@@](Cc1ccccn1)c1nc2c(-c3ccccc3)scc2[nH]1 13448891 CFQRQGYOJHAVOB-HSZRJFAPSA-N 339.445 3.994 0 1 EHAF COc1cc(N(C)c2ccc3c(ccn3C)c2)cc(OC)c1OC 169309717 OMPLUFJCTNJHQK-UHFFFAOYSA-N 326.396 3.972 0 1 EHAF CN(C)c1ccc(-c2cn(Cc3cc(-c4ccccc4)no3)nn2)cc1 1857767429 KUHCKTASKGGKPT-UHFFFAOYSA-N 345.406 3.714 0 1 EHAF O=C(O)[C@@H]1CS[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 2472416 RFPLLRQQWKGVCB-JKSUJKDBSA-N 349.839 3.707 0 1 EHAF c1cc(OCCNCCCc2c[nH]c3ccccc23)c2[nH]cnc2c1 3923590 KDBNOLRCLHHEBP-UHFFFAOYSA-N 334.423 3.645 0 1 EHAF FC(F)(F)CCCSc1nsnc1[C@H]1CN2CCC[C@H]1C2 3929274 QROOTTZWVVRLNV-UWVGGRQHSA-N 337.436 3.782 0 1 EHAF Clc1cnc2sc(Cc3ccccc3)c(C3=NCCN3)c2c1 28871842 ATTBMSWLWQUIRU-UHFFFAOYSA-N 327.840 3.890 0 1 EHAF CC1(C)OC[C@H](NC(=O)Nc2ccccc2)[C@H](c2ccccc2)O1 28376176 MJXOBMVOUJOPJU-IRXDYDNUSA-N 326.396 3.701 0 1 EHAF CCCCOC(=O)/C=C/c1cccc(N2C(=O)c3ccccc3C2=O)c1 28862672 MXZJJEJYENOLSR-VAWYXSNFSA-N 349.386 3.844 0 1 EHAF C[C@@]12CC[C@H]3[C@@]4(CCC[C@@]3(C)C(=O)O[C@@H]4O1)[C@@H]2CC(=O)c1ccoc1 2356691261 COSWXWSVBYDRKX-YEYGNOCGSA-N 344.407 3.727 0 1 EHAF Cc1cc(N)nc(CCc2ccc(CCc3cc(C)cc(N)n3)cc2)c1 71329896 AYUYENSLGNCAKQ-UHFFFAOYSA-N 346.478 3.828 0 1 EHAF COc1ccc(N(C)c2nc(C)nc3ccc(NC(C)=O)cc23)cc1 35857827 BIJVDSZGTYBDGS-UHFFFAOYSA-N 336.395 3.673 0 1 EHAF Clc1cccc(CNc2ccc3ncc(Br)n3n2)c1 74387832 VBAJHYFBCNSEHT-UHFFFAOYSA-N 337.608 3.757 0 3 EHAF CCC[C@H](C)Nc1nc(C)cc(NCCC(=O)Nc2ccccc2)n1 45168422 YMQKTUJWRBOGDP-AWEZNQCLSA-N 341.459 3.826 0 1 EHAF O[C@@H](CCN1CC=C(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2 84653732 IDGXKCMPBMPCQQ-QFIPXVFZSA-N 349.474 3.920 0 1 EHAF COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@H]2C)[C@@H]2CCCO[C@@H]21 195294801 KAIRBWGUKDEUFM-KLCSFMAASA-N 346.398 3.515 0 1 EHAF COc1ccc(-c2c3c(nc4nc(C)[nH]c(=O)c24)[C@@H](C)CCC3)cc1 96906387 SJDJOMFGFRCIQD-NSHDSACASA-N 335.407 3.742 0 1 EHAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)CN1CCC[C@H]1N2C 95571907 IZGIQIYGKIYHFH-IBGZPJMESA-N 337.423 3.978 0 1 EHAF CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N(C)C 96929325 QGHQBVVGIYKOHM-UHFFFAOYSA-N 335.425 3.675 0 1 EHAF COc1ccc(-c2cn3nc(-c4ccccc4)c(C=O)c3n2C)cc1 299823884 AGPHJKJCMJJPJK-UHFFFAOYSA-N 331.375 3.828 0 1 EHAF CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(N)n[nH]3)cc2)no1 653835847 HTIUZHBVYDARJA-UHFFFAOYSA-N 340.387 3.588 0 1 EHAF COc1ccc2cc(/C=C/c3ccc4c(O)nc(O)nc4n3)ccc2c1 587560514 CXQXPBXHOWSASQ-ZZXKWVIFSA-N 345.358 3.768 0 1 EHAF FC(F)COc1cccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)n1 587125679 UDOKMQJLMJIYFW-UHFFFAOYSA-N 344.243 3.683 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c(F)c(F)c1F)O2 587383106 XNGODAUWGNYGCT-GFCCVEGCSA-N 325.261 3.840 0 1 EHAF C[C@@H]1CCc2sc(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)cc2C1 587033142 DUCSIPGNFULECT-SECBINFHSA-N 348.449 3.663 0 1 EHAF CCCn1nc(C)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421611 VCEYXJZQHINBOD-XIKOKIGWSA-N 346.814 3.752 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccns2)N1 587859927 YZJMSWIWMGXYDH-CPFSXVBKSA-N 327.222 3.668 0 1 EHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN(C)C(C)C 587622826 HQRPESDMJORXSE-UHFFFAOYSA-N 335.249 3.955 0 1 EHAF Oc1nc(O)c2ccc(-c3cc(Cl)c4ccccc4c3O)nc2n1 587368098 AYTRPTFETIERAE-UHFFFAOYSA-N 339.738 3.615 0 1 EHAF Cc1cc2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc2c(C)n1 587233439 PCMCQJOBAGLXSL-QWHCGFSZSA-N 330.432 3.736 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(COc1c(C)cccc1C)[C@@H](C2)C3=O 587437781 AFJFCDHNAXDLRI-HRAATJIYSA-N 338.403 3.897 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3ccccc31)CC2=O 587481487 CFYYTUDISNNZPV-FQEVSTJZSA-N 338.359 3.515 0 1 EHAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1O 587373391 DAFIMKOVWIKSLY-CQSZACIVSA-N 333.771 3.651 0 1 EHAF C[C@@]1(Cn2nnc3ccccc32)CC(=O)c2ccc3c(c2O1)CCCC3 587517460 NSKWNSRWESDWBD-NRFANRHFSA-N 347.418 3.734 0 1 EHAF FC(F)(F)Oc1cccc2nc(C(F)(F)c3ccccn3)[nH]c12 587090585 SAENPUCCLKCSSG-UHFFFAOYSA-N 329.228 3.997 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ncccn3)cc1)O2 587394685 YSWBULLYNCBYGL-SFHVURJKSA-N 347.374 3.866 0 1 EHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1C 587401868 ZKERWRKNLZIUBA-GOSISDBHSA-N 327.380 3.609 0 1 EHAF Cc1cc2[nH]c(CNC(=O)c3cccc(C(F)(F)F)c3)nc2c(C)n1 587111546 KZXNLZBVXJTMGH-UHFFFAOYSA-N 348.328 3.524 0 1 EHAF Oc1nc(O)c2ccc(C(c3ccccc3)c3ccccc3)nc2n1 587561397 PKIFBHSWUTUBOJ-UHFFFAOYSA-N 329.359 3.616 0 1 EHAF CCCC[C@]1(COC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595809 OLWWAQPQPRUWOX-YLJYHZDGSA-N 342.391 3.929 0 1 EHAF COC(=O)c1ccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1 963117512 XAXBQGJNAXSTEN-QFBILLFUSA-N 325.383 3.722 0 1 EHAF Fc1cccc2c1C1(CCN(c3ccccn3)CC1)N1CCC[C@@H]1C2 963112656 UGWPBEGUUWXIHA-QGZVFWFLSA-N 337.442 3.737 0 1 EHAF Nc1nc(N)c2cc(SC34CC5CC(CC(C5)C3)C4)ccc2n1 169324809 FTABOSGBIOLBKV-UHFFFAOYSA-N 326.469 3.855 0 1 EHAF O=c1nc2ccc(Br)cn2cc1Cc1ccc(Cl)cc1 169331040 COCALDRHKPPYFM-UHFFFAOYSA-N 349.615 3.701 0 1 EHAF CCC(=O)N1[C@H]2CC[C@@H]1[C@@H]1CC[C@@H]2N1C/C=C/c1cccc(Cl)c1 100854358 SQOZVRAOJBSOCO-WTGYTOABSA-N 344.886 3.969 0 1 EHAF CC[C@@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100043070 WTPAXDRULIZRDJ-GRDNDAEWSA-N 337.847 3.666 0 3 EHAF in-vitro O=c1c(NCCc2c[nH]c3ccccc23)nccn1-c1ccc(F)cc1 21536916 AOPDEMYVLOGVBR-UHFFFAOYSA-N 348.381 3.508 0 1 EHAF C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23O4 26825396 BLGPIPDZAGONIW-CQAWWZBVSA-N 342.435 3.830 0 1 EHAF CCOC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)NC(C)C)C=C1C 2356479135 FISYFHLDZJBMLU-GVDBMIGSSA-N 338.492 3.502 0 1 EHAF C[C@H]1[C@@H]2[C@@]3(C[C@@H]4[C@H]1[C@]4(C)C3)[C@H](O)C[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 2356654279 ZPXRZTKOBBFDAC-KCVLDABZSA-N 332.484 3.947 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccs3)cc2)C[C@@H]2CC[C@H]1N2 28137389 OJTSMYGJKFOMBK-LHHMISFZSA-N 327.449 3.812 0 1 EHAF Cc1cc(C)n(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)n1 29400869 FXJRCYSMJRVJNP-UHFFFAOYSA-N 334.379 3.832 0 1 EHAF O=C1c2cc3ccccc3cc2[C@@]2(c3ccc(Cl)cc3)NCCN12 31900521 MJYUYNNPUNFARL-FQEVSTJZSA-N 334.806 3.753 0 1 EHAF CCCNC(=O)c1nnc2c(-c3c(C)cccc3C)cccc2c1N 71294310 VOVGYBOEGUOGJQ-UHFFFAOYSA-N 334.423 3.636 0 1 EHAF CN1CC[C@]23C4=Nc5ccccc5[C@]2(CCN4C)C1=Nc1ccccc13 13382755 PXTQEXWLEGUDPA-SZPZYZBQSA-N 342.446 3.621 0 1 EHAF biogenic COc1cc2c3c(c1OC)-c1cc(N(C)C)ccc1C[C@H]3N(C)CC2 1911582998 HCTOCIWVPDVRFX-QGZVFWFLSA-N 338.451 3.522 0 1 EHAF CSc1cccc(NC(=O)Nc2c(O)oc3ccccc3c2=O)c1 137532055 BDYGSWFKQMFQCT-UHFFFAOYSA-N 342.376 3.865 0 1 EHAF CC(=O)N[C@H]1[C@@H]2C=C(C)C[C@H]1c1c(nc3cc(Cl)ccc3c1N)C2 195199819 SRBWAIWJMGLCDO-WQBCIRTESA-N 341.842 3.581 0 1 EHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1 142143087 CUTPLPKYQGWUBC-DZGCQCFKSA-N 326.400 3.631 0 1 EHAF in-vitro c1ccc2c(CCNc3ccc(CN4CCOCC4)cc3)c[nH]c2c1 96914948 UCTRCZYTETZMOI-UHFFFAOYSA-N 335.451 3.655 0 1 EHAF COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3ccsc3)cc1)N2 253636789 BFMOQGLGYMZXPC-WNRNVDISSA-N 327.449 3.812 0 1 EHAF CC(=O)N1c2cc(COc3ccccc3)nn2CC[C@H]1c1ccccc1 473144376 ARMOVYXWYVHALH-FQEVSTJZSA-N 347.418 3.960 0 1 EHAF CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCC[C@H]3C)ncc2C)C1 299876992 GNYIQFMKIVKSSX-YYIAUSFCSA-N 332.492 3.779 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccccc3F)c1)O2 587385171 MLCAYRSSCHSNCG-SFHVURJKSA-N 337.354 3.609 0 1 EHAF COc1cc(C)c(OC)n1-c1cc(F)c(Br)cc1F 587943662 MPQFAADSIVFXBG-UHFFFAOYSA-N 332.144 3.844 0 1 EHAF C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc(Cl)c(F)cc12 587631570 PBSGJWQVFQNAND-RNIJIWHESA-N 348.805 3.951 0 1 EHAF Oc1cccc(CCc2nc3ccc(Br)c(O)c3[nH]2)c1 586897169 SIYXZTGGUXPPAN-UHFFFAOYSA-N 333.185 3.522 0 1 EHAF Fc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)O2 587173293 BHLZGTSZXSBUMJ-CQSZACIVSA-N 334.253 3.700 0 1 EHAF Oc1nncc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587125868 USEICWRZYMTKNF-ZZXKWVIFSA-N 338.314 3.841 0 1 EHAF COc1cc(/C=C\c2nc3ccnc(O)c3[nH]2)ccc1Br 586975901 GWFHVWDVLJKXBW-HYXAFXHYSA-N 346.184 3.605 0 1 EHAF FC(F)(F)[C@](F)(Cl)c1nc2ccnc(Br)c2[nH]1 587089620 FHWPIXANFPCSBV-ZETCQYMHSA-N 332.482 3.644 0 1 EHAF Cn1c(=O)cc(-n2nc3cc2Oc2ccc(F)cc2-3)c2ccccc21 587875716 LEUYHGAOBKMZMO-UHFFFAOYSA-N 333.322 3.636 0 1 EHAF Brc1ccc(Br)c2[nH]c(C3=COCC3)nc12 586913624 RRIJOZHRGBQZTR-UHFFFAOYSA-N 344.006 3.849 0 1 EHAF COc1cncc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587136627 TUJALGVVLDIDLT-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF CC(=O)N[C@@H](Cc1nc2cc(F)c(F)cc2[nH]1)c1ccc(C)cc1 587206240 LDHXXGSJBDDRGJ-HNNXBMFYSA-N 329.350 3.569 0 1 EHAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OCCO4)c1F 587151290 GXITYQSKFOEZDC-WDEREUQCSA-N 328.318 3.883 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)C[C@@H](C)N4C)[C@@H](C2)C3=O 587438343 OLLWJZGJVVMFOA-BSPLBBPOSA-N 335.403 3.565 0 1 EHAF COc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587398313 FDRUFZIBJHOSCB-KRWDZBQOSA-N 327.380 3.609 0 1 EHAF CCS(=O)(=O)c1ccc2nc(-c3cc(F)c(C)c(F)c3)[nH]c2c1 587135297 YOBKVIZVOCBIHV-UHFFFAOYSA-N 336.363 3.610 0 1 EHAF Cc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 587039125 PZJQFVDVMMWSOG-UHFFFAOYSA-N 331.401 3.737 0 1 EHAF Cc1cc2c(O)nc(O)nc2nc1CSc1ccc(Cl)cc1 587562564 FQPHSHJDYBMCDU-UHFFFAOYSA-N 333.800 3.690 0 1 EHAF CC[C@@H]1C[C@]2(CCO1)c1cccc(F)c1CCN2[C@H]1CCSC1 962719019 VDOLUJGOZKHGGM-QMTMVMCOSA-N 335.488 3.974 0 1 EHAF CNCc1ccc(-c2cncc(CCc3cc(C)cc(N)n3)c2)cc1 1772602418 DWEUCJPXVJGNQN-UHFFFAOYSA-N 332.451 3.539 0 1 EHAF CCCCC[C@](O)(C(=O)NCCc1ccccc1)c1ccccc1 13586432 PQLPWEFAMBMIGT-OAQYLSRUSA-N 325.452 3.813 0 1 EHAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cn1 13606940 XIFOICKVGDWMAV-WEVVVXLNSA-N 338.407 3.802 0 1 EHAF CCc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cn3)c2n1 1857566124 QEUFHSQMSJBGIV-UHFFFAOYSA-N 344.802 3.853 0 1 EHAF Cc1ccccc1NC(=O)c1ccc2c(c1)N(C1CC1)[C@@H](C)C(=O)N2C 1857755501 MOQPLCMFEQIORO-AWEZNQCLSA-N 349.434 3.581 0 1 EHAF O=C(NCCc1ccc2c(n1)NCCC2)Nc1cccc2ccccc12 149234858 JDDBVGPOCCSOTE-UHFFFAOYSA-N 346.434 3.957 0 1 EHAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCCOC 4213993 JRINWKZOIABMSN-OALUTQOASA-N 346.471 3.853 0 1 EHAF CC(=O)N1N=C(C)C[C@H]1c1ccc(OCc2ccc(Cl)nc2)cc1 53296303 OOYPHDUQJOEDDJ-KRWDZBQOSA-N 343.814 3.983 0 1 EHAF C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCCC4)C[C@@H]2N3)cc1 100108437 HKWMFINTQGZZGE-XKGPBXANSA-N 339.483 3.502 0 1 EHAF COC(=O)C[C@]1(C)CCC[C@]2(C)[C@@H]3Cc4occc4C[C@@H]3CC[C@@]12O 2356713768 RJICMYVKEJSBBD-ZKIXWNMNSA-N 346.467 3.895 0 1 EHAF COc1cccc(C(=O)c2sc(Nc3ccccc3)nc2N)c1 32947349 LXKAYWZVBXYTGU-UHFFFAOYSA-N 325.393 3.709 0 1 EHAF in-vitro COc1ccccc1Oc1ncccc1C(=O)NC1CCCCC1 72103828 QWKBWMYBGJLVDW-UHFFFAOYSA-N 326.396 3.945 0 1 EHAF CC(C)(C)CC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1 71317130 CCCLQEZHKTWTKL-UHFFFAOYSA-N 333.457 3.940 0 1 EHAF c1ccc([C@@H](Cc2ccccc2OCC2CC2)N2CCNCC2)cc1 49110619 AQGRUVIDIWOMIH-OAQYLSRUSA-N 336.479 3.664 0 1 EHAF in-vitro COC(=O)C1=C(c2cccc(-c3nccs3)c2)C[C@H]2CC[C@@H]1O2 84604073 DWPZMURPWZHSTE-HIFRSBDPSA-N 327.405 3.688 0 1 EHAF COc1cc(O)c2c(c1)/C=C\CCC[C@H](O)CCC[C@H](C)OC2=O 148974942 JVYBAZCPWDLGCX-HRANCZFISA-N 334.412 3.674 0 1 EHAF Cc1nc(NC(=O)[C@H](C)CC(F)(F)F)sc1-c1ccc(N)nc1 96272397 IIFUCWPNUMIYRT-SSDOTTSWSA-N 344.362 3.623 0 1 EHAF COC(=O)[C@H]1CC[C@@H]2[C@@]3(CC[C@@H]4C(C)(C)CCC[C@@]24C)COC(=O)[C@@H]13 238760390 NDSKJQVANFOGQV-BUSWYTMYSA-N 348.483 3.971 0 1 EHAF O=C(CCCCCCCCc1ccccc1)[C@H]1[C@@H](O)CC(O)=C[C@H]1O 238764661 OHWWYOHXWKGLHF-QHAWAJNXSA-N 346.467 3.713 0 1 EHAF CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccco2)n1 299884222 SRIVEIISNMYQDY-UKRRQHHQSA-N 342.443 3.501 0 1 EHAF Cc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1C 586966656 ILBCQHRLOIQQRW-UHFFFAOYSA-N 337.408 3.917 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccnc(SC)n1 587871855 FEVNCFOVGFFFJM-UHFFFAOYSA-N 330.388 3.589 0 1 EHAF COc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076980 QBYRQIGEKQKBGP-INIZCTEOSA-N 327.771 3.842 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(NC(C)C)nc1)CC2=O 587469094 HYDVHMPCRIWPHB-QGZVFWFLSA-N 341.411 3.662 0 1 EHAF O=C(NCCc1nc2cc(Cl)c(F)cc2[nH]1)OCc1ccccc1 587227995 FMVZWOWVYXATRE-UHFFFAOYSA-N 347.777 3.824 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1C[C@H](C(=O)O)C1(C)C)CC2=O 587489777 PANQONCKICMAFG-AUJRIZCKSA-N 346.423 3.816 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(C(=O)c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419109 JKSYDQGKGKCWLI-LIRRHRJNSA-N 342.778 3.738 0 1 EHAF Clc1ncc2nc(-c3csc(-c4ncccc4Cl)n3)nc-2[nH]1 587017271 IPOLUZFTAVLDFD-UHFFFAOYSA-N 349.206 3.797 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(F)c2)N1 587735383 UGJDXEKLXDZMOU-VXJOIVPMSA-N 339.183 3.746 0 1 EHAF O=Cc1ccc(OCCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587566642 WUKQGXZVUZTPCC-UHFFFAOYSA-N 336.178 3.699 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccnc1)O2 587394620 JCOGDQYDFYZUSS-OAQYLSRUSA-N 330.387 3.881 0 1 EHAF Cc1cc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1F 587176023 ZIVIDAOMKYUSIQ-CQSZACIVSA-N 326.350 3.873 0 1 EHAF COc1ccc2c(c1)[C@]1(CCS2)CC(=O)c2cc(C)cc(N)c2O1 587414158 KUKIMZWBHCTMIE-IBGZPJMESA-N 341.432 3.942 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1[nH]c1ccc(N)cc31)O2 587396771 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336.139 3.975 0 1 EHAF Cc1ccc([C@@H]2CC3CCC2CC3)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26834163 JLQQCFATUIPBTG-NHHFINERSA-N 331.456 3.547 0 1 EHAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(SC)cc1 103539273 XKVMIWDNMMADRN-RHIYTYFCSA-N 330.413 3.502 0 1 EHAF O=C(C1CC1)[C@H](c1ccccc1F)N1CCc2sc(O)cc2C1 100051471 MPLQNQUWLWGOET-KRWDZBQOSA-N 331.412 3.671 0 1 EHAF endogenous,world Cc1nc(C(=O)N[C@@H]2[C@H]3C[C@@H]4C[C@@H](C3)[C@@H]2C4)c(C)n1-c1ccccc1 101321156 LNFIGJSRRJNZFD-QPZGHMISSA-N 335.451 3.654 0 1 EHAF O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(C2CC2)O3)N1 26274885 VQRZOKXWAYLSOE-CYBMUJFWSA-N 330.693 3.919 0 1 EHAF C[C@H](NC(=O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1)C(=O)O 29217741 BMUQYWVCJFHDQP-VIFPVBQESA-N 338.190 3.863 0 1 EHAF Cc1nn(-c2ccccc2F)c2ncc(C(=O)c3ccccc3O)cc12 1911586212 BYIZRXFIVVRHIL-UHFFFAOYSA-N 347.349 3.805 0 1 EHAF CN(C)CCCN1CCCc2cc(NC(=N)c3cccs3)ccc21 73156248 YTJHJFNOCXBJFN-UHFFFAOYSA-N 342.512 3.890 0 1 EHAF CC[C@H](C)Nc1ncc(C(=O)NCC2CC2)c(-c2ccc(F)cc2)n1 82140201 GXQDZFPHMVUIJL-LBPRGKRZSA-N 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LURXPGSUEHDSPD-GOSISDBHSA-N 336.366 3.971 0 1 EHAF Cc1cccc(NC(=O)c2c(NO)cc(-c3cccs3)oc2=O)c1 473153664 BYDBOLHQVSNTSQ-UHFFFAOYSA-N 342.376 3.730 0 1 EHAF CCNc1nccc(NCc2sc(-c3ccccc3)nc2C)n1 299863948 QMHKHGOHHJOXII-UHFFFAOYSA-N 325.441 3.952 0 1 EHAF O=C(NCCc1nc(-c2ccc(F)cc2)cs1)N1CCCCC1 653850708 WXXXGSLUYPIYCV-UHFFFAOYSA-N 333.432 3.687 0 1 EHAF C[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608546 LIKBQODUZAGABG-GHTZIAJQSA-N 348.354 3.975 0 1 EHAF COC(=O)Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cn1 587245772 XLGJQIGIFTWLMY-UHFFFAOYSA-N 347.172 3.566 0 1 EHAF CC[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccccc1 587651899 GSZAQVROONBLTB-HNNXBMFYSA-N 326.783 3.884 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(CC(C)C)c1)CC2=O 587475334 MJCDNUXCWARZIN-GOSISDBHSA-N 328.412 3.904 0 1 EHAF COc1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2n1 586895025 LHSKQYVKTQKWIH-UHFFFAOYSA-N 331.375 3.793 0 1 EHAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)OC)nc2[nH]1 587950254 AIFGRAZHMFHNNH-ZOWXZIJZSA-N 331.416 3.791 0 1 EHAF COc1ccc2cc(-c3nc4nc(O)nc(O)c4cc3C)ccc2c1 587561569 RDWHTYUARUTGJZ-UHFFFAOYSA-N 333.347 3.573 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2CCOCC2)N1 587835280 OWTAHDDBRSLWBS-IINYFYTJSA-N 342.252 3.980 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(F)c1-n1cccn1)O2 587382533 SDYQXEXNSXCZTN-KRWDZBQOSA-N 337.354 3.609 0 1 EHAF Cc1cnc(Cl)c2[nH]c([C@H](N)Cc3c[nH]c4ccc(F)cc34)nc12 587175198 QSMZUPZHJSRVIU-GFCCVEGCSA-N 343.793 3.783 0 1 EHAF Cc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2n1 587008539 XZKJWIXCPTWUNN-UHFFFAOYSA-N 328.173 3.572 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CO)cc1 587610057 PJAWJSJOTRWHJU-NQIIRXRSSA-N 348.354 3.587 0 1 EHAF Brc1cc2nc(-c3csc4c3CCOC4)[nH]c2cn1 587032653 ZVVIQVJYXAVSHX-UHFFFAOYSA-N 336.214 3.522 0 1 EHAF Cc1c(F)ccc2c1[C@@](c1cccc(F)c1)([C@@H](C)CC(=O)O)NCC2 962094867 TWPXYCHDBCEXQU-YUNKPMOVSA-N 345.389 3.773 0 1 EHAF Cc1ccccc1C[C@@]1(C2CC2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962891211 CSRCAJCNMIQDMX-FPOVZHCZSA-N 339.410 3.581 0 1 EHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2ccccc2F)(C2CCC2)N1 962896070 IVGUDYDFPJDYOE-PXNSSMCTSA-N 343.373 3.607 0 1 EHAF CC(C)COCCCCCCCCCCC[C@@H]1OC[C@@H](N)[C@@H]1O 1772642709 ISLQSJQSEVULTD-QYZOEREBSA-N 329.525 3.647 0 1 EHAF COc1ccccc1-c1nc(CNC23CC4CC(CC(C4)C2)C3)no1 225184769 NDBBVRQNMHBQDK-UHFFFAOYSA-N 339.439 3.804 0 1 EHAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccc2ccccc12 169314062 JKAFFXOGVDWHNS-XJTYSDDVSA-N 333.431 3.879 0 1 EHAF CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4081341 NVDZDOGGAQQFMS-DOTOQJQBSA-N 328.799 3.520 0 1 EHAF CN(C)C[C@@H]1C[C@H]2c3cc(F)ccc3Cc3ccc(F)cc3N2O1 4631553 GEDGEGJCGBTAON-LPHOPBHVSA-N 330.378 3.682 0 1 EHAF C[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(N2C[C@H]3C[C@@H]2CO3)c1 26738843 VSHWMVWYYBOSRP-YNDYDQIESA-N 348.446 3.555 0 1 EHAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occc13)C=C[C@@H](O)[C@@H]2C 2356453362 VTTQQQRAJGAPLK-BLLLJJGKSA-N 342.391 3.942 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC=C2C=C3NC(=O)C(C)=C3C[C@]2(C)[C@H]1C 2356870419 XQZCSXJJKSLFPI-WSXQUGQNSA-N 327.424 3.571 0 1 EHAF CCO[C@H](Cc1ccc(OC/C=C/c2ccccc2)cc1)C(=O)O 34042080 XPIWMJMYFHUGRW-MBNRZODZSA-N 326.392 3.811 0 1 EHAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)[nH]1 71318236 HLSURCXVAOWAFT-UHFFFAOYSA-N 342.399 3.958 0 1 EHAF COc1c(C)c(O)c(C=O)c2c1[C@@H](OC)C[C@H](c1ccccc1)O2 15217558 YQWKJLXULCUUKI-CABCVRRESA-N 328.364 3.733 0 1 EHAF biogenic C=CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cccs1 43061175 YZCSONPXVSZCBC-OAHLLOKOSA-N 343.477 3.926 0 1 EHAF COc1ccc(C[C@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1F 45201427 WFFGGONSESBFEY-YVEFUNNKSA-N 337.822 3.742 0 1 EHAF COc1cccc2c3c([nH]c12)C[C@@H]1C[C@]3(c2cccc(O)c2)CCN1C 195234024 ZIOKSJYZYLYKRX-QRQCRPRQSA-N 348.446 3.819 0 1 EHAF Clc1ccc(N2CCCN(Cc3c[nH]c4ncccc34)CC2)cc1 96305015 OLRDLGNPSAUGKS-UHFFFAOYSA-N 340.858 3.929 0 1 EHAF Cc1cc(CO)ccc1NS(=O)(=O)c1c(Cl)cccc1Cl 473169914 OSHHUOUWYHPWNT-UHFFFAOYSA-N 346.235 3.595 0 1 EHAF C[C@@]1(c2ccc(OC(F)(F)F)cc2)C[C@](O)(c2ccccn2)CO1 653831416 XLPVURMBUDTKQV-JKSUJKDBSA-N 339.313 3.504 0 1 EHAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587928746 BYPZYUCNNLRWPO-QVKFZJNVSA-N 349.434 3.719 0 1 EHAF Cc1c([C@H]2CCCNC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989208 BIRNZRHVCHEGEQ-ZDUSSCGKSA-N 344.414 3.927 0 1 EHAF Fc1cnc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 587116458 XVSIMIUCYVUXPH-UHFFFAOYSA-N 333.248 3.726 0 1 EHAF Fc1ccc2c(c1)C[C@@H](c1nc3cncc(Br)c3[nH]1)O2 587173537 DDYODKMJBOCNGY-LBPRGKRZSA-N 334.148 3.536 0 1 EHAF COc1ccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cn1 587877073 YNVSGEBSWBJDOS-UHFFFAOYSA-N 342.355 3.444 0 1 EHAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587169532 YOPQOXHXACWKER-ZDUSSCGKSA-N 343.402 3.782 0 1 EHAF Cc1nccc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 587006819 SYWFMFSYHNYDFL-UHFFFAOYSA-N 327.185 3.949 0 1 EHAF Nc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1N 587017935 UFKXDDKXNSILSO-UHFFFAOYSA-N 342.815 3.566 0 1 EHAF Cc1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587275625 FKTMNYYMPDESJE-UHFFFAOYSA-N 346.180 3.622 0 1 EHAF COc1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2cc1OC 587952715 VZAMJXJLZVJZTC-HSBZDZAISA-N 348.443 3.658 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1N)O2 587378963 XUABWKUIHHXFSW-HNNXBMFYSA-N 347.212 3.628 0 1 EHAF COc1ccc([C@@H](c2ccccc2)c2nc3c(N)ccnc3[nH]2)cc1 587935221 HGKBTQFHSPRXKM-QGZVFWFLSA-N 330.391 3.729 0 1 EHAF Cc1ccc([C@H](C)[C@H](O)c2nc3cncc(Br)c3[nH]2)cc1 586888064 KHMVXJLRXMNDAE-BONVTDFDSA-N 346.228 3.866 0 1 EHAF COC(=O)C[C@]1(c2ccccc2Cl)NCCc2ccc(F)c(C)c21 962303125 UVHMYMVEQIILKW-LJQANCHMSA-N 347.817 3.740 0 1 EHAF Cc1c(F)ccc2c1[C@]1(NCC2)[C@@H](C)[C@H]2C[C@H](CO)C[C@@H](C2)[C@H]1C 962380656 XPQGQNHBGNYWAI-XDYQOJRDSA-N 331.475 3.786 0 1 EHAF CC(=O)Nc1ccsc1[C@H]1c2c(F)cccc2C[C@H]2CCCN21 963110436 MXYLNRGKGUBRHF-CXAGYDPISA-N 330.428 3.956 0 1 EHAF Nc1nc(N)c2c(Sc3ccc(C(F)(F)F)cc3)cccc2n1 5974270 LILLTLNILPONLP-UHFFFAOYSA-N 336.342 3.964 0 1 EHAF CC(C)C1CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)CC1 12209323 HPRBZAFUTGTRGU-GOSISDBHSA-N 348.531 3.842 0 3 EHAF COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1 13741321 ACYIGZGTAZPBCN-UHFFFAOYSA-N 325.755 3.529 0 1 EHAF NCc1ccc(S(=O)(=O)c2ccc(-c3ccccc3)cc2)s1 1857594570 OVQLNOGPBKMMBO-UHFFFAOYSA-N 329.446 3.707 0 1 EHAF Cc1ccccc1CN1CCN(CC=Cc2ccccc2)CCC1=O 1857621670 QTSBIRTZIDCKKC-UHFFFAOYSA-N 334.463 3.743 0 1 EHAF Cc1[nH]nc2c1[C@@H](c1ccccc1)c1c(nc3c(c1N)CCCC3)O2 1857637124 OMYCYCMCFWGJPT-MRXNPFEDSA-N 332.407 3.860 0 1 EHAF Cc1cc(N2CCN(C3CCCCC3)CC2)nc2cc(O)ccc12 4961195 YNERAOVHJOUNPV-UHFFFAOYSA-N 325.456 3.704 0 1 EHAF C[C@@H]1SC2=N[C@@H]3c4ccccc4CC[C@@H]3N2[C@@]1(O)c1ccccc1 28769197 GASCQHZZZZWUTG-NTCOEUGSSA-N 336.460 3.695 0 1 EHAF COc1cc(/C=C(\Cn2ccnc2)c2ccc(N)cc2)cc(OC)c1 53294166 IZBHUQXSCSKNPL-RQZCQDPDSA-N 335.407 3.723 0 1 EHAF CCCN[C@H](c1ccc(O)cc1)[C@H](NCCC)c1ccc(O)cc1 27897846 NDYDHIIQSOAMDX-WOJBJXKFSA-N 328.456 3.879 0 1 EHAF CCCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc(OC)c1)C2 101283035 SFCXZTUIPCMBFB-QZTJIDSGSA-N 330.472 3.611 0 1 EHAF CC(=O)Nc1cccc(-c2ccc3c(c2)N(C(C)C)C(=O)COC3)c1 74375308 JDOWNCKLSQLGTB-UHFFFAOYSA-N 338.407 3.584 0 3 EHAF CN(C)CCCNCc1coc(-c2ccc(OC3CCCC3)cc2)n1 72185753 AFJZEXXTLFKRKX-UHFFFAOYSA-N 343.471 3.704 0 1 EHAF COC(CN(C)Cc1coc(-c2ccc(Cl)cc2Cl)n1)OC 72181836 HDUXRQRLGCRBTP-UHFFFAOYSA-N 345.226 3.699 0 1 EHAF O=c1c(-c2ccc(O)c(Cl)c2)coc2cc(O)c(Cl)c(O)c12 13451748 VUCLQNNOKLHUJK-UHFFFAOYSA-N 339.130 3.884 0 1 EHAF biogenic CC[C@@H](C)C(=O)OCc1ccc([C@@]2(C)CO2)c(OC(=O)C(C)C)c1 15169424 NLNNOYIIACIFGJ-BFUOFWGJSA-N 334.412 3.583 0 1 EHAF biogenic O=C(c1ccccc1C(F)(F)F)N(CC1CCCC1)[C@H]1CCNC1 43024439 WXFURHRZZPXAMP-AWEZNQCLSA-N 340.389 3.700 0 1 EHAF CO[C@H]1Cc2ccccc2[C@]2(CCCN(CCc3ccccc3)C2)O1 45288129 MPYFPWRZHBPIGT-FGZHOGPDSA-N 337.463 3.766 0 1 EHAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)N[C@H](c1ccccc1)C2 145642948 JFNXRABTLWJEOU-ZDUSSCGKSA-N 341.461 3.887 0 1 EHAF CCO[C@H](CNC(=O)/C=C/c1ccccc1)c1ccc(OC)cc1 95620434 LXXLURHVWSXSJP-CECLQJIQSA-N 325.408 3.602 0 1 EHAF endogenous,in-man Cc1ccc(-c2nc(N)c3cc(CN4CCCCC4)sc3n2)o1 140568385 FOJYUPBAOXSZNU-UHFFFAOYSA-N 328.441 3.828 0 1 EHAF Cc1nnc(-c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)o1 653797719 CUCYPRGXRANLAG-UHFFFAOYSA-N 344.378 3.949 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)c(C)nn1C)CC2=O 587458903 AGSZDNVIHSNKHA-CQSZACIVSA-N 334.803 3.747 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)o1)O2 587371308 FIKLPAWVQKTBIC-OAHLLOKOSA-N 336.185 3.813 0 1 EHAF COc1nccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033075 QTLGQNXDSWHEOY-UHFFFAOYSA-N 336.420 3.974 0 1 EHAF Cc1cc(-c2nc3nccc(N)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880953 ROPANNFHNRWLKJ-UHFFFAOYSA-N 344.374 3.881 0 1 EHAF CS(=O)(=O)c1ccc2[nH]c(-c3cccnc3)c(-c3ccccn3)c2c1 587651475 USQWRCIMEZEKAQ-UHFFFAOYSA-N 349.415 3.695 0 1 EHAF COc1ccccc1Nc1ccccc1-c1nc2c(N)ccnc2[nH]1 587240039 FNCIZGSIULVSHJ-UHFFFAOYSA-N 331.379 3.959 0 1 EHAF Cc1c(F)ccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc12 586948061 KIYOAYYOWJZYHT-UHFFFAOYSA-N 347.415 3.828 0 1 EHAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587963719 RBOGCMIMVBXPDL-HTQZYQBOSA-N 347.287 3.770 0 1 EHAF CCOC(=O)c1ccc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 587194782 AZAKDHYCMQSKJO-ZDUSSCGKSA-N 337.423 3.957 0 1 EHAF COc1ccc2c(c1)C[C@H](c1nc3ccc([C@@H](N)N=O)cc3[nH]1)CC2 587947015 QIEHJFAEJASDLF-ACJLOTCBSA-N 336.395 3.568 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS[C@@H]2C)N1 587855601 GTSIEXBUUQUVMR-RFXMVYNHSA-N 330.266 3.843 0 1 EHAF COc1cc2c3c(c1)OC1(CCN(c4cccc(C)c4)CC1)[C@@H](C2)C3=O 587440449 ZSFNSVXOUAUCJF-SFHVURJKSA-N 349.430 3.790 0 1 EHAF Fc1cc(F)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587040588 IEBPYNVTQVDYMW-GJZGRUSLSA-N 331.391 3.787 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1CN1CCCC1)O2 587393420 IDIGVWVGTXJPAG-HXUWFJFHSA-N 336.435 3.880 0 1 EHAF Cc1cc(C(F)(F)F)cc(-n2ncc3ccc(Cl)cc3c2=O)n1 587651330 HEHANLIAWZPVCS-UHFFFAOYSA-N 339.704 3.761 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(O)cc(O)c1)CC2=O 587491888 WQCYXNGCAIMPAN-IBGZPJMESA-N 328.364 3.637 0 1 EHAF Cc1nn(C)cc1CN1Cc2ccccc2O[C@H](c2ccccc2)C1 12281017 KKJQFDFEZRHADW-NRFANRHFSA-N 333.435 3.864 0 1 EHAF CCc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 14657 CGBTZHDMAZKXCT-IBGZPJMESA-N 346.430 3.747 0 1 EHAF COc1ccc2sc3c(c2c1)NC[C@H](Cc1ccccc1)NC3=O 3647050 UVTHKAJHOGEFPT-ZDUSSCGKSA-N 338.432 3.677 0 1 EHAF CC/C(=C1/C(=O)N(CCCN(C)C)c2ccc(F)cc21)c1ccc[nH]1 103190290 RAHRHLBLZXHAAY-CYVLTUHYSA-N 341.430 3.773 0 1 EHAF CCCCCOC(=O)C[C@H](C(=O)OCCCCC)N1CCCCC1 59837445 QBMPNWRHTXHPPC-QGZVFWFLSA-N 341.492 3.698 0 3 EHAF CC1(C)Oc2cc(-c3cc4ccc(O)cc4o3)cc(O)c2C[C@H]1O 2356405999 KBOLPPOTMGJKKD-GOSISDBHSA-N 326.348 3.585 0 1 EHAF CC(=O)OC[C@@H]1c2ccccc2[C@@H]2CCC[C@](C)(COC(C)=O)[C@@H]12 2356699634 CRJPIQLOYYZXCG-MTQWCTHYSA-N 330.424 3.800 0 1 EHAF N[C@H]1CCc2c(-c3ccccc3)ccc(Br)c2CC1=O 72105179 PAUWBSFBGZAGSO-INIZCTEOSA-N 330.225 3.501 0 1 EHAF O=C1C(c2ccc(Cl)c(Cl)c2)=[N+]([O-])c2cc3c(cc21)OCO3 45254367 LCDWNZLPMJWMOR-UHFFFAOYSA-N 336.130 3.550 0 1 EHAF O=C(Cc1cccc(Cl)c1Cl)N[C@@H]1CCOc2ncccc21 146493689 PCXILVJQIZTPHE-CYBMUJFWSA-N 337.206 3.571 0 1 EHAF Cc1ccncc1N1CCN(c2ccc(C(F)(F)F)s2)C1=O 148623115 RFWDXYNJLCSMGW-UHFFFAOYSA-N 327.331 3.917 0 1 EHAF O=C(Nc1ccc(Cl)cn1)c1cc(F)cc(Oc2cncnc2)c1 96938946 IOXXAOZQHIIAFM-UHFFFAOYSA-N 344.733 3.709 0 1 EHAF O=C(Cc1nc2cccc(C(F)(F)F)c2[nH]1)OCc1ccccc1 587782344 SOROIEYCSRZFCQ-UHFFFAOYSA-N 334.297 3.868 0 1 EHAF CC(=O)Nc1ccc(-c2[nH]c3cccc(F)c3c2CC(=O)O)cc1 587634864 GCBVDYLPHKEJSZ-UHFFFAOYSA-N 326.327 3.560 0 1 EHAF NC(=O)Nc1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 587243089 DXCQZVUDBUKBRU-UHFFFAOYSA-N 349.163 3.622 0 1 EHAF Cc1onc(-c2nc3ncncc3[nH]2)c1COc1ccc(Cl)cc1 587075887 MAUKQYIJLJWHPQ-UHFFFAOYSA-N 341.758 3.549 0 1 EHAF CCC(C)(C)C(=O)c1c(CO)oc2cc(Br)cnc12 587273074 HMFADWKYNMLWCP-UHFFFAOYSA-N 326.190 3.702 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C)n1-c1cccnc1)O2 587389453 IEDRKVWPKRJRSR-LJQANCHMSA-N 333.391 3.778 0 1 EHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)cc(C)c2[nH]1 587232595 ZZCUWIXRNCJIQY-UONOGXRCSA-N 349.862 3.561 0 1 EHAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc3c(c2[nH]1)CCCC3 587223708 DNPYCARHSHXZIF-AWEZNQCLSA-N 349.434 3.525 0 1 EHAF O=C1CCC(c2ccccc2)(c2nc3ccc(C(=O)O)cc3[nH]2)CC1 587970700 MYGJWWHQAHYRJD-UHFFFAOYSA-N 334.375 3.690 0 1 EHAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(C(N)=O)cc2[nH]1 587170517 BQPIIGMXNZHIPO-JTQLQIEISA-N 329.400 3.697 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(S)[nH]c4ccccc14)[C@@H](C2)C3=O 587451723 MBKCTVWJCQSPOZ-KPZWWZAWSA-N 337.400 3.954 0 1 EHAF COc1c(O)cccc1[C@H]1c2cccc(Br)c2CCN1C 963270649 QIKDVZGQPXQMJZ-MRXNPFEDSA-N 348.240 3.741 0 1 EHAF O=C(c1cccc(-c2cccc(O)c2F)n1)c1ccc(F)c(O)c1F 1772653279 RBODGLPEPYXYOF-UHFFFAOYSA-N 345.276 3.808 0 1 EHAF Cc1c(C)c2c(c(C)c1N)C[C@@](C)(C[S@@](=O)c1ccccc1)O2 13652122 MKKHLYVTXBQPAB-CVDCTZTESA-N 329.465 3.695 0 1 EHAF C[C@H](NC(=O)N1C(=O)C[C@@H]1Sc1ccccc1F)c1ccccc1 1857614065 KMQFJQNAKXNSSS-SJCJKPOMSA-N 344.411 3.947 0 1 EHAF COC(=O)[C@]1(C=C2c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2C=CC[C@H]21 1857622544 KKBJCVBSAUGNEH-VHGJCSBSSA-N 328.383 3.912 0 1 EHAF NCCNc1cncc(-c2ccc3[nH]cc(-c4ccccc4F)c3c2)n1 1857751519 BGYKECRMNHZETP-UHFFFAOYSA-N 347.397 3.802 0 1 EHAF CC1=C[C@]2(CC[C@H](C)C[C@H]2C(=O)NCc2ccc(Cl)cc2)OC1=O 4670310 VNXDSBYOCABWNX-UVIMBBFXSA-N 347.842 3.634 0 1 EHAF COc1ccc(Sc2ccc(NC3=NCCCCN3)cc2)cc1 26003326 OQCAPGRMAFQKAM-UHFFFAOYSA-N 327.453 3.998 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3cc(O)ccc3CC[C@H]21 100620764 KBRVHSFDUWUYOP-GHTZIAJQSA-N 346.430 3.985 0 1 EHAF CC(=O)N1N=C(C)C[C@H]1c1ccccc1OCc1ccc(Cl)nc1 53298092 MEKITCRXQHGZLW-INIZCTEOSA-N 343.814 3.983 0 1 EHAF c1ccc2c(OC[C@H]3CCCN3c3ncnc4[nH]cnc34)cccc2c1 116065035 DUYDXTWDEKJZHW-OAHLLOKOSA-N 345.406 3.554 0 1 EHAF Cc1cc(Cl)cc(C)c1OCCN1C(=O)c2ccccc2C1=O 58583577 BGRBOFCWMINSAF-UHFFFAOYSA-N 329.783 3.632 0 1 EHAF O=C(O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)nc1 28826386 MEZNEFBHBAMFKU-UHFFFAOYSA-N 348.402 3.904 0 1 EHAF in-vitro COc1ccc(-c2snnc2-c2ccc(OC)cc2OC)cc1 27439068 ZDOAALKZPKEZBH-UHFFFAOYSA-N 328.393 3.898 0 1 EHAF O=C(Nc1ccc2c(c1)OCO2)Nc1ccnc2c(F)cccc12 71341459 QVHIAMOEWDREGV-UHFFFAOYSA-N 325.299 3.747 0 1 EHAF Cc1ccc(SCCNc2cc(C3CCNCC3)nc(C)n2)cc1 39490535 AAHMNFVIBRAJSN-UHFFFAOYSA-N 342.512 3.765 0 1 EHAF CC[C@]12CCCN3CC[C@]4(c5ccc(OC)c(OC)c5N[C@@H]4CC1)[C@@H]32 14684241 OCEROFXLARYYKO-MBPVOVBZSA-N 342.483 3.794 0 1 EHAF biogenic CC(=O)c1c(OCCN2CCCC[C@@H]2C)ccc2c(C)cc(=O)oc12 71294364 GFYBYYOSIJSNGO-AWEZNQCLSA-N 343.423 3.557 0 1 EHAF O=C1COCc2ccc(-c3cc(F)cc(F)c3)cc2N1CC1CC1 74375097 VMPANZFBHIJQDW-UHFFFAOYSA-N 329.346 3.905 0 3 EHAF N=C(N)c1ccc(-c2cc(Cl)c(-c3ccc(C(=N)N)cc3)o2)cc1 196125465 HQJWUYFDARBZPV-UHFFFAOYSA-N 338.798 3.835 0 1 EHAF Cc1cnc(N2CCCN(C)CC2)nc1N[C@H]1C[C@H](C)CC(C)(C)C1 82202628 NABRROGRUYXMTP-RDJZCZTQSA-N 345.535 3.554 0 1 EHAF O=C1c2ccccc2C([C@@H](O)C(=O)c2ccccc2)c2ccccc21 40827993 UOHKCPKERRYKBE-JOCHJYFZSA-N 328.367 3.607 0 1 EHAF C[C@@H]1CCCC[C@H]1C(=O)N1CC(c2nc(-c3cccc(F)c3)no2)C1 95580443 HGULSDBPQFERGA-MLGOLLRUSA-N 343.402 3.628 0 1 EHAF C[C@H](O)c1cccc(-c2ccc3c(c2)SC(=N)N2CCCN=C32)c1 95577286 NISWMEJUPPDDGM-LBPRGKRZSA-N 337.448 3.900 0 1 EHAF Nc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1 95572766 WLGZDMZMTSYYCM-UHFFFAOYSA-N 347.462 3.888 0 1 EHAF Oc1nccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587137878 PWYYDGPEITXVIK-UHFFFAOYSA-N 342.555 3.886 0 1 EHAF FC(F)(F)[C@@](F)(Cl)c1nc2cc(Br)ncc2[nH]1 587089668 FWCLBYSHGKQIHR-SSDOTTSWSA-N 332.482 3.644 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(CCF)c1C)CC2=O 587465289 GRQKJVKVQSNCBW-QGZVFWFLSA-N 332.375 3.526 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1N)O2 587378311 UFSJTQZBFZPLMU-HNNXBMFYSA-N 347.212 3.628 0 1 EHAF O=C(O)c1cc(F)cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c12 587175566 VQVUDUQRQMSINV-UHFFFAOYSA-N 327.290 3.611 0 1 EHAF COC(=O)C[C@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587534062 VKSYBSIRVVQGAI-FQEVSTJZSA-N 340.375 3.582 0 1 EHAF CCOC(=O)C(F)(F)[C@H]1CCCc2nc3cccc4c3c(c21)CC4 587210091 DSCWMHBSEGXKAT-ZDUSSCGKSA-N 331.362 3.952 0 1 EHAF CC[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 587410577 YJUMSFOHCAHUDU-IBGZPJMESA-N 325.364 3.577 0 1 EHAF Cc1cccc(C)c1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963237810 UWHXQPPIXYLUNY-ICSRJNTNSA-N 332.403 3.540 0 1 EHAF O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)Nc1ccccc1 12599692 LSFGLLSUUIQKJP-BAUKFBFWSA-N 347.842 3.746 0 1 EHAF Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N1CCC[C@@]1(C)CC3 13778396 ORGKYZVJZBDUGT-KRWDZBQOSA-N 336.357 3.862 0 1 EHAF CC[C@H](CCCc1ccc(OC)cc1)CCC(=O)N1CCOCC1 203473121 QRULXTXVNBXVCU-QGZVFWFLSA-N 333.472 3.683 0 3 EHAF Oc1cc(CSc2cccc(F)c2F)nc2c3c(nn12)CCCC3 103224613 WBCACOLJVAATMU-UHFFFAOYSA-N 347.390 3.884 0 1 EHAF Cc1nccn1CCC1CCN(C2CCC3(CCNCC3)CC2)CC1 67714024 UYIYVBNFFKLHQP-UHFFFAOYSA-N 344.547 3.606 0 1 EHAF COCCN(CCOC)Cc1coc(-c2ccc(C(C)(C)C)cc2)n1 72101299 JRCDHKSQKFAZSH-UHFFFAOYSA-N 346.471 3.734 0 1 EHAF CCn1ccc2cc([C@@H](O)c3cc(OC)c(OC)c(OC)c3)ccc21 45497567 KNZMHOYGFRZDBM-LJQANCHMSA-N 341.407 3.769 0 1 EHAF O=C(NCC1=CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 49792550 MNXZAZYAHAQZFK-UHFFFAOYSA-N 344.817 3.796 0 1 EHAF CCCC[C@H](CC)CNc1nc(N)c2cc(OC)c(OC)cc2n1 82131857 MHUBHUBIZFCTID-LBPRGKRZSA-N 332.448 3.858 0 1 EHAF Oc1c2cc(Br)ccc2nc(=S)n1Cc1cccnc1 253497270 YIDFFSGWRJIBPN-UHFFFAOYSA-N 348.225 3.677 0 3 EHAF c1csc(-c2cc(CNC34CC5C[C@@H](C3)C3(CO3)[C@@H](C5)C4)no2)c1 653700538 XCHLAJLTBHFGSZ-SPNVMKBUSA-N 342.464 3.840 0 1 EHAF C[C@H]1CCc2sc(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)cc2C1 587033143 DUCSIPGNFULECT-VIFPVBQESA-N 348.449 3.663 0 1 EHAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 587051573 YJNWKDIXBQTLRM-UHFFFAOYSA-N 329.743 3.540 0 1 EHAF OCc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134807 OVZPUBSWYJXTIT-RQOWECAXSA-N 340.251 3.921 0 1 EHAF Cc1nccc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 587116156 QFIHFVBDUFWCAS-UHFFFAOYSA-N 329.285 3.895 0 1 EHAF Cc1n[nH]c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587808352 YVJGQTVOCDWSIC-KWKYVRJSSA-N 338.224 3.552 0 1 EHAF COc1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)c(C(F)(F)F)c1 587096716 ATZQRBNKMIUKCC-UHFFFAOYSA-N 336.269 3.956 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C)[C@@H](OC)C12CCC2 587487726 GZQWHFRJDTYXJL-GCKAQTDUSA-N 330.424 3.884 0 1 EHAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cncc(Cl)c2[nH]1 587233183 JXEMISLQJGBRNB-GXSJLCMTSA-N 336.823 3.772 0 1 EHAF Cc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587852176 DPRJDCMPSGDLNI-FUXBKTLASA-N 341.249 3.977 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1nccc(-c2cccs2)n1 587653581 JPSGKHLEVCUVMD-UHFFFAOYSA-N 340.795 3.558 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3ccc(F)cn13)CC2=O 587471635 LRKPPKRYWKTLSG-QGZVFWFLSA-N 340.354 3.838 0 1 EHAF Cc1nn(Cc2cc3c4c(cccc4n2)CC3)c(C)c1Br 587207225 DFKYPIAMKQIAPP-UHFFFAOYSA-N 342.240 3.958 0 1 EHAF Cc1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587118812 QQZQEBVAJGRZPW-UHFFFAOYSA-N 347.300 3.790 0 1 EHAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCO4)s1 587014197 IWLWBBPGPKIVIJ-VIFPVBQESA-N 331.397 3.821 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)NCCS3)O2 587415605 VNBSEDTWTQSNFF-MRXNPFEDSA-N 326.421 3.801 0 1 EHAF Cc1nn(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1Cl 587874159 QYUQRVUVAQJKAJ-UHFFFAOYSA-N 346.749 3.602 0 1 EHAF Cc1ccc([C@]2(c3ncc[nH]3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587395961 HKFMTXGRBUNUOX-FQEVSTJZSA-N 333.391 3.518 0 1 EHAF COC(=O)c1cc2[nH]c([C@@H]3Cc4ccccc4S3)nc2cc1OC 587041186 APBZLKKLBQQQSJ-INIZCTEOSA-N 340.404 3.748 0 1 EHAF C[C@]1(COc2cccc(C=O)c2)c2c(F)cccc2C[C@@H]2CCCN21 963095010 BXPHABVHEZKAPN-UWJYYQICSA-N 339.410 3.953 0 1 EHAF Cc1ccccc1[S@@](=O)c1ccc(N2CCC[C@H]2CC(=O)O)cc1 1772622128 MPVNUDWJSGHMTK-FYSMJZIKSA-N 343.448 3.605 0 1 EHAF C[C@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 13154320 HQLLRHCTVDVUJB-FVARLDMKSA-N 332.440 3.721 0 1 EHAF O[C@@H](CCN1CCN(c2ccccc2Cl)CC1)c1ccsc1 13861765 PXJRWPJLTNUQTJ-KRWDZBQOSA-N 336.888 3.647 0 1 EHAF COc1ccccc1CN1C[C@H](C2CC2)N(C(C)=O)c2ccccc21 1857762798 ZPDGQUMBUIPPPL-HXUWFJFHSA-N 336.435 3.847 0 1 EHAF CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4211861 UYUSJPFZSHEEPY-DZGCQCFKSA-N 334.828 3.582 0 1 EHAF CN1[C@@H]2CCC[C@@H]1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2 100798039 QAWJSXVOEPKRIQ-HUUCEWRRSA-N 333.863 3.597 0 1 EHAF CCC[C@@H](CN[C@@H](CNC)C(C)C)NCCCCc1ccccc1 22938904 BTVNLYBXUXRCKH-SFTDATJTSA-N 333.564 3.601 0 3 EHAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)/C(=C/C(=O)O)CC[C@@H]4[C@H]3CC[C@@H]12 29461861 RSHSEAUIGQPKLY-CGBSMDAVSA-N 345.483 3.861 0 1 EHAF O=C1NC(=O)[C@H](Cc2ccc(CCCc3ccccc3)cc2)S1 29486778 PBHMRPSBBVSADN-KRWDZBQOSA-N 325.433 3.756 0 1 EHAF Cc1ccnn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2 72114346 FTQFUQZSKDXZNW-IAGOWNOFSA-N 336.266 3.820 0 1 EHAF O=C(Nc1ccc2nc(Cc3ccccc3)nn2c1)c1cccs1 74387267 RVYZOJDBMGMSDM-UHFFFAOYSA-N 334.404 3.634 0 1 EHAF CCN(C)c1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccco2)n1 82142694 KKQZZXXOJPHQKQ-UHFFFAOYSA-N 342.443 3.597 0 1 EHAF CN(C)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1 40895720 HACVYYVRDOWAMK-UHFFFAOYSA-N 347.333 3.762 0 1 EHAF CN1CCN(C2=Nc3ccccc3CC=C2c2ccc(F)cc2)CC1 40503984 DYRKNDSDQPDRDC-UHFFFAOYSA-N 335.426 3.743 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 198453164 XXBKFKJZAXTGFB-LHFHZWOTSA-N 332.440 3.953 0 1 EHAF O=C(c1ccc(O)c(F)c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 96169290 HCUZXAALNJSULB-AEFFLSMTSA-N 325.383 3.866 0 1 EHAF CC(C)Oc1cc(N2C(=O)[C@@H]3CCCC[C@@H]3[C@H]2O)c(F)cc1Cl 299846388 MMUUDHLSBKLFHY-LYOVBCGYSA-N 341.810 3.738 0 1 EHAF Cc1c(-c2nc3cccc(F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073708 LNEQNDOBSJSLTE-UHFFFAOYSA-N 341.777 3.971 0 1 EHAF Cc1nscc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587858780 UFOFHXTYLJPFIU-UOWDBTKRSA-N 341.249 3.977 0 1 EHAF O=C1COc2cc3[nH]c(-c4c(Cl)[nH]c5ccccc45)nc3cc2N1 587087893 OVRAMTFASQFGBW-UHFFFAOYSA-N 338.754 3.696 0 1 EHAF O=C(c1cc(Br)c[nH]1)n1nc2cc1Oc1ccc(F)cc1-2 587873251 WQMWOGVQRKTTBE-UHFFFAOYSA-N 348.131 3.574 0 1 EHAF Cc1nn(Cc2nc3cccc(Cl)c3[nH]2)c(C)c1Br 586978847 KRXLLTXVJDLGHH-UHFFFAOYSA-N 339.624 3.840 0 1 EHAF CC(C)(C)OC(=O)N(Cc1nc2cccc(F)c2[nH]1)C[C@H]1CCCO1 587197039 HFAGOHYCZYCGKQ-GFCCVEGCSA-N 349.406 3.618 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccns2)N1 587856565 ISWBVUGOKGYJLU-FUXBKTLASA-N 327.222 3.668 0 1 EHAF COc1cccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1F 587873936 MOAORIORMCXMAQ-UHFFFAOYSA-N 328.274 3.631 0 1 EHAF COc1cccc(C2(c3nc4ccc(CCO)cc4[nH]3)CCCC2)c1 587933432 ODDYJUUIDJDEJX-UHFFFAOYSA-N 336.435 3.966 0 1 EHAF C[C@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357394 NMLQNYNCDQDVKV-OPURJYLOSA-N 342.366 3.828 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnnc1 587866138 UXECRSGVNSNWMI-UHFFFAOYSA-N 334.301 3.747 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccn2)N1 587727513 BNUWVDBXNWKLCF-ANRSDYALSA-N 339.183 3.746 0 1 EHAF N=c1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c2ccccc2[nH]1 587253642 LAHPUYVBZDANCI-UHFFFAOYSA-N 329.285 3.604 0 1 EHAF C[C@@H]1CCC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356826 SAAGEMGCENFADT-PEECDGGASA-N 340.350 3.628 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N)N1 587748131 UXOKZSLRVJSDQC-FVMDXXJSSA-N 335.220 3.794 0 1 EHAF C[C@H](Sc1ncccn1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586961726 LIFQRFXQZZRZHI-LURJTMIESA-N 326.212 3.908 0 1 EHAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 587963227 LVFJRRAGFBVBBX-HTQZYQBOSA-N 325.181 3.622 0 1 EHAF CC[C@@H]1OCCC[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 586911461 KXRXJOQGPNKSEM-CBAPKCEASA-N 328.185 3.532 0 1 EHAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)no1 587793881 LYCVHVBJUYSTOO-NXSYQRQQSA-N 325.181 3.508 0 1 EHAF CC(C)(C)OC(=O)Nc1nc(Cc2ccccc2)c([C@H](N)N=O)s1 958045399 LDPVPUHLJACEEY-CYBMUJFWSA-N 348.428 3.805 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cccc(-n2cccn2)c1 963635100 LJPZNADFIBCQNG-SPLOXXLWSA-N 349.434 3.513 0 1 EHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H]([C@@H]2C[C@H]2c2ccccc2)N1 963222385 KNIUKJDLBARZQX-APMMZXSISA-N 344.414 3.679 0 1 EHAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3cccs3)nc21 5841967 YFEJBNCFMFTPFP-UHFFFAOYSA-N 336.420 3.953 0 1 EHAF C[C@H]1C[C@@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 13154319 HQLLRHCTVDVUJB-KWZARGIESA-N 332.440 3.721 0 1 EHAF CCC(=O)Nc1ccccc1S[C@H](CC(=O)O)c1cccnc1 13589267 XDRKIJOIWIDLCP-OAHLLOKOSA-N 330.409 3.738 0 1 EHAF COC(=O)c1cc2cc(Nc3ccc(Br)cc3)cnc2[nH]1 205522888 VSJHPEZHLSYZDW-UHFFFAOYSA-N 346.184 3.856 0 1 EHAF COc1ccc2c(c1)CCN(CC[C@@H](F)Cc1ccccc1)C[C@@H]2O 1857572189 QOXHLGKIGZMADX-NQIIRXRSSA-N 343.442 3.558 0 1 EHAF C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C[C@H]1OC(=O)C(C)=C[C@H]1CC 1857768062 XZRTYEQIKZABJA-YCRHMFTJSA-N 338.488 3.889 0 1 EHAF COc1cccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CC2)c1 4388606 WJVKYFLVVFNYPY-UHFFFAOYSA-N 349.386 3.606 0 3 EHAF O=C1c2ccccc2C([C@H](O)C(=O)c2ccccc2)c2ccccc21 101506325 UOHKCPKERRYKBE-QFIPXVFZSA-N 328.367 3.607 0 1 EHAF COc1cc(C=CCO)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 2356392762 OGQCHHKOBZTHRP-BLVKFPJESA-N 340.375 3.667 0 1 EHAF CCCc1ccc(C(=O)c2c(SC)cc3n2CC[C@H]3C(=O)O)cc1 28225765 JOLXDRUKYBGLTD-CQSZACIVSA-N 343.448 3.965 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@H]12)C[C@@]45C(=O)O 2356457285 KWHAEXKTUBKWAW-QIOLLORCSA-N 346.467 3.883 0 1 EHAF CC[C@]1(C(=O)N[C@H](C)COc2cccc(F)c2)[C@H](C)C1(Cl)Cl 29393015 MHGSLISIVPHOOR-JRPNMDOOSA-N 348.245 3.929 0 1 EHAF CCCCCC=CC[C@H](O)[C@@H](O)C=C[C@H]1CC=CCCCC(=O)O1 2356504982 MDCUPALPRUQMSF-QYZOEREBSA-N 336.472 3.833 0 1 EHAF COC(=O)C1=CCC[C@H]2[C@@]1(C)[C@@H](O)C[C@@H](C)[C@@]2(C)CCC1=CCOC1 2356746070 RMDVTBQPOFJSNM-WLZSEIJESA-N 348.483 3.646 0 1 EHAF c1cc2c(cc1O[C@H]1CCOC1)CCC1(CCN(C3CCC3)CC1)O2 73224404 MIXXPXMCFRJNIY-IBGZPJMESA-N 343.467 3.566 0 1 EHAF Cc1[nH]c(C(=O)NC(C)(C)C)cc1Cc1ccc(C(F)(F)F)nc1 1911580849 LJWCNMRPMXPJJR-UHFFFAOYSA-N 339.361 3.856 0 1 EHAF CC[C@@H]1C(=O)C[C@H]2CCN(C(=O)Cc3ccsc3)[C@H]3CCC[C@@H]1[C@@H]32 211060730 YHRNCAPHXWGPLQ-WDHIOAMHSA-N 345.508 3.923 0 3 EHAF COc1ccc2c(c1)oc1c(Nc3ccc4c(c3)OCO4)ncnc12 95595208 QBIJDFLSIKMMBJ-UHFFFAOYSA-N 335.319 3.857 0 1 EHAF COc1ccc(-c2nn3cc(-c4ccc(O)cc4O)nc3s2)cc1 95561173 REOBRAANIKAJLR-UHFFFAOYSA-N 339.376 3.545 0 1 EHAF Cc1cccc(NC(=O)c2nn(C)c(-c3cc(F)cc(F)c3)c2C)n1 95602140 ILTSQERZQBXLER-UHFFFAOYSA-N 342.349 3.629 0 1 EHAF C[C@@H](CF)OC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 253659135 ISWUXQKIYIOEJI-ULSVASMSSA-N 339.838 3.808 0 1 EHAF CC(=O)N[C@@H](Cc1nc2cc(C)cc(F)c2[nH]1)c1ccc(C)cc1 587207001 QAZAYRODEFBENQ-INIZCTEOSA-N 325.387 3.739 0 1 EHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 587787417 VJCGTRJQEXDGLG-RYUDHWBXSA-N 327.771 3.555 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)c[nH]c3nccc1-3)O2 587379582 JJWPKKZJLHFSRH-AWEZNQCLSA-N 327.771 3.765 0 1 EHAF CCc1ccc(-c2nc3cc(OC)ncc3[nH]2)cc1Br 586977736 REEPUHNGKFBUAN-UHFFFAOYSA-N 332.201 3.958 0 1 EHAF CC[C@@H](C)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868206 XLEIZKSWHMRTSR-SECBINFHSA-N 327.306 3.659 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccccc4C)c1)[C@@H](C2)C3=O 587432092 MWSFJVRNZNTPNQ-KKSFZXQISA-N 346.386 3.678 0 1 EHAF CCC1(CC)[C@H](OC)[C@@H](C)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444295 SXOGEWFDQHTGGH-HCBGPHNISA-N 330.424 3.653 0 1 EHAF Oc1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116164 QOICIPZIRAKZPA-UHFFFAOYSA-N 330.269 3.898 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1cnccc1C)O2 587394591 IDZWTOZONUOVJL-NRFANRHFSA-N 345.402 3.585 0 1 EHAF O=C1c2ccccc2-c2cc(C[C@@H]3CCCCN3)nc3ccc(O)c1c23 586990000 TXEIKFHUOYCHQN-ZDUSSCGKSA-N 344.414 3.836 0 1 EHAF Cc1cncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587776608 YHEYCRZNGGWSPY-MGPLVRAMSA-N 335.220 3.915 0 1 EHAF Cc1cnc(Cl)c2[nH]c([C@H]3CSCN3C(=O)C(C)(C)C)nc12 587042147 IVVWDACEOCOOBA-SECBINFHSA-N 338.864 3.540 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C[C@H](C)O)c1)CC2=O 587486971 YDOKHZJPXDDQOU-RBZFPXEDSA-N 340.419 3.975 0 1 EHAF Oc1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082806 WZUUYLVITRYQRA-UHFFFAOYSA-N 340.770 3.822 0 1 EHAF COC(=O)C1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 587106776 LSLOXPWAIKUONZ-UHFFFAOYSA-N 329.355 3.651 0 1 EHAF O[C@H]1CC[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 586898094 GLNNMTKVIRCGDV-KNVOCYPGSA-N 331.160 3.622 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccnc(OC)c1)CC2=O 587488519 OUXIKYOWFLUJCE-IBGZPJMESA-N 327.380 3.629 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(C)c(OC)cc(C)c1O)[C@@H](C2)C3=O 587444712 TZAXQRYOQLEUDE-RBZFPXEDSA-N 340.375 3.515 0 1 EHAF COc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2n1 587018261 ZLUFFCRQLMOISB-UHFFFAOYSA-N 343.799 3.805 0 1 EHAF NCc1c(N)nc(-c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1 14948328 IYYOOHZJFUHCFY-UHFFFAOYSA-N 344.340 3.870 0 1 EHAF COc1cc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1 169700036 VJCOHBOMJQNYLY-UHFFFAOYSA-N 333.391 3.962 0 1 EHAF O=N[C@@H]1c2ccccc2O[C@]2(C(=O)Nc3ccc(Cl)cc3)C[C@@H]12 169724339 AGFWFCJSFBBCIJ-YSVLISHTSA-N 328.755 3.937 0 1 EHAF CCNC(=O)Nc1ccc2ncc(Nc3ccc(Cl)cc3)nc2n1 167623312 AMEPZSMWNFKIQF-UHFFFAOYSA-N 342.790 3.563 0 1 EHAF CC(C)N1C(=O)S/C(=C\c2ccc(Sc3ncc[nH]3)o2)C1=O 1857549605 AGAMYVTXJIHVIQ-YFHOEESVSA-N 335.410 3.599 0 1 EHAF NC(=O)/C(=C\c1ccccc1)n1c(-c2ccco2)nc2ccccc21 1857644150 GVEUSESXNZFMPJ-GHRIWEEISA-N 329.359 3.780 0 1 EHAF CC(=O)Nc1cccc(Nc2ncc3cc(-c4cn[nH]c4)ccc3n2)c1 1857644801 OJSMKUDIBAVPRG-UHFFFAOYSA-N 344.378 3.722 0 1 EHAF CCOC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccc(F)cc1 28219325 LMESQUXRYIHGAS-INIZCTEOSA-N 328.387 3.971 0 1 EHAF O=C1[C@H]([C@H](O)c2ccc(Cl)cc2)CCCN1Cc1ccccc1 103284601 FQDRWCVUUHHLKS-ZWKOTPCHSA-N 329.827 3.812 0 1 EHAF CC(=O)OC[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccc(Cl)c1 100807001 NULBFCVSTMAXPP-ZUJSKWSFSA-N 331.843 3.769 0 1 EHAF CCC=CC[C@@H]1C=C[C@@H]2[C@@H](O)CC(=O)[C@@H]2CC=CCCCC(=O)O1 2356721370 BZTIGFGJIMLNRE-VXNCWWDNSA-N 332.440 3.507 0 1 EHAF C[C@@H](CC(=O)O)Cc1ccc(OCCCNc2ccccn2)cc1 28648064 MNMNKSRAIMNXQS-OAHLLOKOSA-N 328.412 3.616 0 1 EHAF C[C@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 34591170 HOYGOGLDLPJTHF-ITGOXPRASA-N 339.479 3.676 0 1 EHAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@@]3(C[C@@H](CO)CC34CCCC4)[C@@H]1[C@@H](O)C2 85547510 XCQUHWHYMLJKJX-RSWGXYNBSA-N 348.527 3.648 0 1 EHAF biogenic,in-vitro Clc1ccc(Oc2cncc3sc(-c4nnn[nH]4)cc23)cc1 40379182 ULMZCAWRPCELOE-UHFFFAOYSA-N 329.772 3.922 0 1 EHAF Cc1cc(C)c(OC(=O)C[C@@H]2CC(c3ccc(O)cc3)=NO2)c(C)c1 40762827 OESQBJKFHREHFC-KRWDZBQOSA-N 339.391 3.806 0 1 EHAF Cc1cccc(-c2nc(Nc3ccncn3)c3c(C)csc3n2)n1 84731822 RONTWVLXTONIGF-UHFFFAOYSA-N 334.408 3.904 0 1 EHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccoc3)cc2)C[C@H]2CC[C@H]1N2C 253638312 KAVKUIYDILEQNP-NCXUSEDFSA-N 325.408 3.686 0 1 EHAF CCCCC(=O)N(Cc1cccs1)c1cccc(-c2nnn[nH]2)c1 84704604 BCIQVDDXUILZMK-UHFFFAOYSA-N 341.440 3.652 0 1 EHAF O=C(O)c1ccc(/C=C2\SC(=O)N(CC3CCCC3)C2=O)cc1 474610073 ZVIMYIGTPIIXQN-ZROIWOOFSA-N 331.393 3.611 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CC=C4C=C(c5nn[nH]n5)CC[C@@]43C)[C@@H]1CCC2=O 653699592 HVXDOJKJRIHIDP-UKSSEWCLSA-N 338.455 3.725 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2F)N1 587728700 FXUSJUQGOAKPDM-VXJOIVPMSA-N 339.183 3.746 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3cc(F)ccc3c1=O)O2 587384362 KVZKWXHAERBECQ-KRWDZBQOSA-N 339.322 3.529 0 1 EHAF CCOc1cc(/C=C/c2nc3ccnc(O)c3[nH]2)ccc1OC(F)F 587129537 DPDKTFYMIJTVCX-GQCTYLIASA-N 347.321 3.834 0 1 EHAF COc1cncc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587516428 XDFBGLYXDZNFDK-INIZCTEOSA-N 337.419 3.936 0 1 EHAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)cnc3[nH]2)cc1 586887445 IDCQZAJCQBDGCT-YGRLFVJLSA-N 346.228 3.866 0 1 EHAF COC(=O)c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1OC 587149584 HKLFLKQYUHNASQ-YWEYNIOJSA-N 344.317 3.807 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C)[C@H]1C(=O)OCC)CC2=O 587479398 IGPXHMZAJXJXIC-CYFODOTGSA-N 346.423 3.658 0 1 EHAF COc1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cn1 587070374 SRGILCWEVHCVFK-JTQLQIEISA-N 329.787 3.996 0 1 EHAF COc1ccc(C[C@@H](C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587385860 QROURUMGJWJXRW-CWTRNNRKSA-N 343.398 3.938 0 1 EHAF COc1cc2c3c(c1)O[C@@](c1ccc(N)cc1)(C1CCC1)[C@@H](C2)C3=O 587433968 YHXVNOLHMSBFFS-LAUBAEHRSA-N 335.403 3.720 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CCN1CCCCC1)CC2=O 587476559 VMETYYVMJOZOSY-HXUWFJFHSA-N 331.456 3.945 0 1 EHAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@H]1c1cccnc1 24832 WAHVKWJZNROGFA-XMGGNUPJSA-N 344.411 3.529 0 1 EHAF COc1cc2c(cc1OC)-c1cnc(NCc3ccccc3)n1CC2 5115742 QQZVVLFBGNZPNW-UHFFFAOYSA-N 335.407 3.736 0 1 EHAF COc1ccc(Cc2cc3nc(C)nc(N4CCCCC4)c3[nH]2)cc1 13834976 XCOZPKSYHWKASW-UHFFFAOYSA-N 336.439 3.856 0 1 EHAF Cc1ccc(CSCc2ccc(C(=O)NC[C@@H]3CCCO3)o2)cc1 263005 YBVBLIZZMPBBBN-INIZCTEOSA-N 345.464 3.930 0 3 EHAF CC(=CCOc1cc2oc(=O)ccc2cc1O)CC=CC(C)(C)O 2356397128 HNVAOURGRAGCKB-UHFFFAOYSA-N 330.380 3.541 0 1 EHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1cccc(Cl)c1 100018869 CVMLRZLTFZHPGP-WTNDLDAUSA-N 335.787 3.761 0 1 EHAF CN(C=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 27440789 SBYCBHGICFOMGP-LPYKTLRWSA-N 329.484 3.975 0 1 EHAF CN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1)C1CC1 116230772 MXKVHKAMSDKJOV-UHFFFAOYSA-N 337.354 3.733 0 1 EHAF O=c1cc(-c2ccc(C(F)(F)F)cc2)nc2[nH]c3ccccc3n12 103151853 DDIGWNFGZHQAEH-UHFFFAOYSA-N 329.281 3.862 0 1 EHAF Clc1cccc(Nc2nc(-c3nnn[nH]3)cc3sccc23)c1 66101639 NWIMKTFZXUQFDX-UHFFFAOYSA-N 328.788 3.873 0 1 EHAF c1ccc(Cc2c[nH]nc2C2CCN(Cc3ccccn3)CC2)cc1 67723258 CDHYRSMUAPDERV-UHFFFAOYSA-N 332.451 3.775 0 1 EHAF CC(C)=CCOc1cc(C)cc(C(=O)c2cccc(O)c2C=O)c1O 2356507059 VJAAWUIJTSNWHL-UHFFFAOYSA-N 340.375 3.795 0 1 EHAF Cn1ccc2c3ccccc3nc-2c1C[C@]1(C)CC[C@H](C(C)(C)O)O1 2356519845 QYWQQLPGAZOYAL-NQIIRXRSSA-N 338.451 3.929 0 1 EHAF CC(=O)CSc1nc(Cc2cccc3ccccc23)c(C)c(=O)[nH]1 26850502 BFQCFZRCYZRCMI-UHFFFAOYSA-N 338.432 3.503 0 1 EHAF Clc1ccc([C@@H]2N=C(N3CCOCC3)Cc3ccccc32)cc1 26576964 KDGBKKGFBMKPGW-IBGZPJMESA-N 326.827 3.716 0 1 EHAF CC(=O)OC[C@@H]1C[C@H](C)[C@H]2[C@@H](C=CC=CC(=O)O)[C@H](C)C=C[C@@H]2C1 2356718731 FNGOIISIZQTTTM-VODSWOITSA-N 332.440 3.847 0 1 EHAF CCCCC[C@@H](O)C(C)(C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 2356811419 BOLGBOZCCGUULF-DLBZAZTESA-N 347.455 3.544 0 1 EHAF CCCCC(=O)N(CCCC)[C@H](CC)C(=O)NCc1ccccc1 2356845218 OCOSDHRXHNNAPM-GOSISDBHSA-N 332.488 3.900 0 1 EHAF COc1cc(COc2ccc([C@H](O)C3CC3)cc2)cc(OC)c1OC 66258352 OQVFDAHOGPRUCV-LJQANCHMSA-N 344.407 3.735 0 1 EHAF CC1=C2CCC=C3C(=O)OC[C@]32CCC2=C1[C@H](c1ccoc1)OC2=O 15148281 ZDTSKNVEGNGEGL-PXNSSMCTSA-N 338.359 3.548 0 1 EHAF biogenic COc1cccc(-c2cnc(N)nc2-c2cn(C)c3ccccc23)c1 42924227 PBXJKVHTYJCPRX-UHFFFAOYSA-N 330.391 3.893 0 1 EHAF CC(=O)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(C(C)=O)cc1 43123159 YXNVKIBRMBLTFH-UHFFFAOYSA-N 347.374 3.677 0 1 EHAF CC(=O)[C@@]12[C@H](c3ccccc3)NC(=O)N3CC[C@H]([C@@H]1c1ccccc1)[C@@H]32 195487073 ALNREWIJIWNNFA-QWPXSNKBSA-N 346.430 3.514 0 1 EHAF CC(C)=C(COC(=O)CC(C)C)c1c(O)ccc2ccc(=O)oc12 238789539 JJVDGJFTHUBMDS-UHFFFAOYSA-N 330.380 3.881 0 1 EHAF Nc1nn2c(=O)cc(-c3ccc(Cl)cc3)[nH]c2c1-c1ccccc1 653670673 ZSIHZWKVWFERML-UHFFFAOYSA-N 336.782 3.592 0 1 EHAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587088360 LRDGMHBIVXZLFG-SSDOTTSWSA-N 343.280 3.634 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(Cc4cccc(Cl)c4C1)[C@@H](C2)C3=O 587418447 BGHUBBGFDHICQU-IFXJQAMLSA-N 326.779 3.634 0 1 EHAF CCCCCc1cc2c(O)nc(O)nc2nc1-c1cccc(OC)c1 587559493 JIHOSVGZKISTFF-UHFFFAOYSA-N 339.395 3.844 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N)cccc1Br)O2 587375461 CLUYIVJEKVHXSN-AWEZNQCLSA-N 347.212 3.628 0 1 EHAF CCOC(=O)c1c(-c2ccc(F)c(F)c2)[nH]c2c(C(=O)O)cccc12 587637719 ONQWLMFVQVYEFR-UHFFFAOYSA-N 345.301 3.988 0 1 EHAF COc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Cl 587025219 JLVBFZVWQYEWCB-UHFFFAOYSA-N 344.874 3.657 0 1 EHAF COc1ccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c(F)c1 587149377 RNAMRLKQVMBCGH-UHFFFAOYSA-N 325.265 3.715 0 1 EHAF Cc1c2c(nc3ccc(N4CCOCC4)cc13)-c1c(N)cccc1C2 587213544 XFPFSZXFKVAMJO-UHFFFAOYSA-N 331.419 3.533 0 1 EHAF CCOc1cc(/C=C\c2nc3c(N)ccnc3[nH]2)ccc1OC(F)F 587130880 QFDWZSTXGOVJGM-XQRVVYSFSA-N 346.337 3.711 0 1 EHAF Cc1coc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587589901 YPGMMCAAHKPCMR-HNAYVOBHSA-N 337.331 3.566 0 1 EHAF C[C@H](O)CCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587835774 YAOIIPDYYKKIBI-KWBADKCTSA-N 330.241 3.715 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc4cc(OC)ccc4n1)[C@@H](C2)C3=O 587436376 PKAWRIGLMJBQMV-YCRPNKLZSA-N 347.370 3.741 0 1 EHAF COc1ccc2c(c1OC)[C@@](CN=O)(c1ccccc1)N(C)[C@H](C)C2 962642147 YOWOYNLQAPCKKL-JLTOFOAXSA-N 340.423 3.590 0 1 EHAF CC(=O)N1[C@@H](Nc2cnc3ccccc3c2)CCN1c1ccccc1 13214522 LXANJGTUJXRVRZ-HXUWFJFHSA-N 332.407 3.647 0 1 EHAF O[C@]1(c2ccc(Cl)cc2)c2ccccc2C2=N[C@H]3CCCC[C@@H]3N21 13491112 KLRMDPMJYLBCKY-CMKODMSKSA-N 338.838 3.920 0 1 EHAF O=C1c2c(O)cccc2C(C(=O)Cc2ccccc2)c2cccc(O)c21 13732211 CXRDPZDDCVOZHO-UHFFFAOYSA-N 344.366 3.586 0 1 EHAF CC1(C)C=C(n2ccccc2=O)c2ccc(Br)cc2C1=O 13832159 GLPWNSSQFMBSMF-UHFFFAOYSA-N 344.208 3.723 0 1 EHAF COc1ccccc1[C@H]1N(c2cccc([S@@](C)=O)c2)C(=O)C1(C)C 169324203 ZTBZNYXBYUHKDP-MZNJEOGPSA-N 343.448 3.547 0 1 EHAF CN1CCC(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 3947629 DHGAOXXHXZSEGT-UHFFFAOYSA-N 340.398 3.603 0 1 EHAF CC(C)(C)N(Cc1ccoc1)C(=O)/C=C\[S@@](=O)c1ccccc1 6009942 MKDWGGNLDHEQMB-CEGXDQTDSA-N 331.437 3.728 0 1 EHAF O=[S@]1c2ccccc2CCC12CCN(Cc1ccccc1)CC2 13779398 QZTBMIWQKQVGNL-HSZRJFAPSA-N 325.477 3.775 0 1 EHAF O=C(O)c1cccc(CSc2nc(O)cc(-c3cccs3)n2)c1 20394638 OJBZASRUEBIKKA-UHFFFAOYSA-N 344.417 3.901 0 1 EHAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(\O)OCC)[C@@H]1C 26816354 FPXKPEYPNBANNM-ZSPVLXODSA-N 329.396 3.878 0 1 EHAF CN(C)C(=O)N1Cc2cc(Cl)ccc2[C@H](c2cccc(O)c2)C1 28572588 NTIXMOSJPWCFFC-KRWDZBQOSA-N 330.815 3.675 0 1 EHAF C[C@H](CO)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3N 29048961 GAFMGGSEJIQKLK-DURKAETDSA-N 349.559 3.572 0 1 EHAF CN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@H]3CC/C(=C\C(=O)O)[C@@]3(C)CC[C@H]12 29461864 RSHSEAUIGQPKLY-SCVBQKCESA-N 345.483 3.861 0 1 EHAF Cc1ccc(N2CCc3ncnc(NCC4CCCCC4)c3C2)nc1 35077861 DXGORADRDISYAD-UHFFFAOYSA-N 337.471 3.735 0 1 EHAF O=C1CCSCN1CCCNc1ccnc2cc(Cl)ccc12 35091179 HMDVGPZCACDPND-UHFFFAOYSA-N 335.860 3.613 0 1 EHAF O=c1[nH]c2occ(-c3ccc(Br)cc3)c2n2cccc12 40916762 QSUKTPYZECDOJL-UHFFFAOYSA-N 329.153 3.803 0 1 EHAF Oc1ccc([C@H]2CCc3c(O)cc(O)c([C@@H]4CCCCN4)c3O2)cc1 72318261 RKFNUYHGDIDANI-MAUKXSAKSA-N 341.407 3.684 0 1 EHAF COc1ccccc1CCCCc1c(O)c2ccc(O)cc2oc1=O 100361775 DPYHGUIDBOZDPO-UHFFFAOYSA-N 340.375 3.778 0 1 EHAF c1cnc(N[C@H]2CC[C@H](CCN3CCc4ccccc4C3)CC2)nc1 100803013 BEKYXSCBRPYPCE-MSEWRSJXSA-N 336.483 3.896 0 1 EHAF CN1[C@H]2CC[C@H]1CN(CCOC(c1ccccc1)c1ccccc1)C2 100870077 WYHOKNJUQCQLCT-SFTDATJTSA-N 336.479 3.571 0 1 EHAF C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@H]1COC(=O)C1 238751212 TUFKWTIZKAZNKT-KIJMYCCXSA-N 332.440 3.646 0 1 EHAF biogenic COC(=O)[C@H]1[C@H](c2cccc(-c3ccco3)c2)C[C@H]2CC[C@H]1N2C 253699409 ITEKLFIKJBIAEP-NTDBWNAOSA-N 325.408 3.686 0 1 EHAF CC(=O)OC[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 255202224 CJSXBURXAUDUSP-IFKFXWNZSA-N 348.483 3.502 0 1 EHAF Nc1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(F)cc3)cc2)no1 299860860 HJLKZLXYTSYCEW-UHFFFAOYSA-N 337.314 3.640 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Sc3ncccn3)nc2c1 586962983 VXSTVCHLIIRFMT-QMMMGPOBSA-N 348.815 3.646 0 1 EHAF NC(=O)c1cccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 587131331 FLDKYCCZYNFDRC-UHFFFAOYSA-N 327.334 3.543 0 1 EHAF C=CC(=O)Nc1ccc(-c2nc3cnc(Br)cc3[nH]2)cc1 587244109 MBNYKWZYHKKEHU-UHFFFAOYSA-N 343.184 3.512 0 1 EHAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2CC(C(=O)O)C[C@@H]2C1 587478262 AJQKNSXXOHWQNG-WYSHMAITSA-N 344.407 3.570 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CN1CCC[C@@H](C)C1)CC2=O 587482069 ZABBFCZUXOLSJX-VLIAUNLRSA-N 331.456 3.801 0 1 EHAF N=c1[nH]ccc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587507711 RRYITKJNZKXIAW-OAHLLOKOSA-N 328.799 3.733 0 1 EHAF Cc1c(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)cnn1C 587633830 NOFFJYLDMWQBLM-UHFFFAOYSA-N 325.265 3.761 0 1 EHAF Cc1nn(C)cc1-c1[nH]c2cccc(F)c2c1C(=O)C(F)(F)F 587633957 QDWSGBWISFAKBO-UHFFFAOYSA-N 325.265 3.761 0 1 EHAF O=C(O)c1cccc2c(C3OCCO3)c(-c3cccc(F)c3)[nH]c12 587637647 MHNVCEXJFWELAV-UHFFFAOYSA-N 327.311 3.718 0 1 EHAF COc1cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)cc(OC)c1O 587785142 HXHOVMRADRAPEA-UHFFFAOYSA-N 335.363 3.809 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2OCCC2(C)C)N1 587833405 NBZUCBSMLPXDHW-DFKRKDTASA-N 342.252 3.979 0 1 EHAF Cc1nscc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587854056 BFEUBWPFPJDILB-UOWDBTKRSA-N 341.249 3.977 0 1 EHAF COc1ccc(C(=O)OCC=C(C)C[C@@H](O)C=C(C)C)cc1OC 2356537787 GNWZNLFPIZUSIZ-INIZCTEOSA-N 334.412 3.524 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C 2356578879 KBPMNOLIWDLUPI-DGELGTTISA-N 330.424 3.873 0 1 EHAF Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c(C)o1 13594938 BAHLWRXAIUTJEZ-CYBMUJFWSA-N 347.361 3.910 0 3 EHAF O=C(O)[C@H]1CCc2sc3nc(=S)n(-c4ccccc4)c(O)c3c21 253497939 OXIPFYXDQOGZRI-VIFPVBQESA-N 344.417 3.636 0 3 EHAF O=C1[C@@H]2CCCC[C@@H]2N=C(c2ccccc2O)N1CCc1ccccc1 28523867 CVVOQWRQKUEKTG-MJGOQNOKSA-N 348.446 3.783 0 1 EHAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCCCC1 2356289859 BTVBMZAQLPTVHB-LLVKDONJSA-N 334.803 3.674 0 1 EHAF Cc1c([C@H](C)c2c(F)cccc2F)nc(N2CCC(C)CC2)[nH]c1=O 28866756 ZYLLDCUWDALJQP-GFCCVEGCSA-N 347.409 3.745 0 1 EHAF CCOc1c(Cl)cccc1O[C@@H](c1ccccc1)[C@H]1CNCCO1 29049121 FUHOKNRCOVAKDB-MSOLQXFVSA-N 347.842 3.847 0 1 EHAF in-vitro CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)Cc3c(CO)coc3C[C@@H]12 2356442033 MDNZWGMJADDCJN-NYYTWLDWSA-N 332.440 3.801 0 1 EHAF CC(=CC(=O)O)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2[C@@H](O)C[C@@]1(C)O 2356624141 SJCQJLXYLFQJRA-JGKKSEDXSA-N 338.488 3.762 0 1 EHAF COc1ccc(-c2nnc(C3CCNCC3)o2)cc1OC1CCCC1 72176828 RHGMYXIYAHEBDX-UHFFFAOYSA-N 343.427 3.534 0 1 EHAF Cc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)CS2)cc1 73296579 VJEUAMRGXUPVET-QGZVFWFLSA-N 335.432 3.776 0 1 EHAF COc1ccc(/C=C(/c2cc(OC)c(OC)c(OC)c2)[C@@H](C)O)cc1 71318173 MYMUOUNOYCMXBN-VGSSETLESA-N 344.407 3.642 0 1 EHAF NC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2)cc1 95573539 DYOKIDRFFUSPOS-UHFFFAOYSA-N 331.375 3.781 0 1 EHAF CC(=O)O[C@@]1(C)CCC[C@@]2(C)[C@@H]1C[C@H](O)[C@]13C[C@H](CC[C@@H]12)[C@@H](C)C3=O 238782390 IJGZHMHIRCHAKC-FZPGVFLHSA-N 348.483 3.501 0 1 EHAF C[C@H](C(=O)NC1CCCC1)n1c(-c2ccccn2)nc2ccccc21 95600751 PXYAEGMCFVFMOG-CQSZACIVSA-N 334.423 3.718 0 3 EHAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@H](C)[C@@H]2CC[C@](C)(O)[C@H](CC1)O2 299807141 UIXXPUQGCNBHRT-OFDCYSCDSA-N 334.456 3.683 0 1 EHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H](c1ccc(Cl)cc1)C2 253690333 MEFDIGWKZIICLQ-RDGPPVDQSA-N 346.902 3.919 0 1 EHAF O=C1C[C@H](CCCCO)Oc2c(Br)cc(Cl)cc21 299831978 JNARQILBENKEOX-VIFPVBQESA-N 333.609 3.599 0 1 EHAF C[C@H]1CC(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]1C 587822130 IVXPWDPGYJDIKL-ZESJGQACSA-N 340.236 3.563 0 1 EHAF CNC(=O)[C@H]1C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587234635 HMTJCWJMDKZYFG-NEPJUHHUSA-N 348.431 3.689 0 1 EHAF COC(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2n1 587073161 DLQUJHJYXWTCHH-UHFFFAOYSA-N 341.798 3.672 0 1 EHAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1Cl 587376574 SHBLRWZYQISQPD-AWEZNQCLSA-N 333.771 3.651 0 1 EHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(O)c2[nH]1 587081245 YHVOVEYFSSXOLR-GFCCVEGCSA-N 326.787 3.646 0 1 EHAF COc1ccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1OC 587927752 UEDIMKLZMZBPRA-UHFFFAOYSA-N 338.194 3.873 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1nc4cc(F)ccc4s1)[C@@H](C2)C3=O 587428395 OJPBYHHJCZZMBZ-APPDUMDISA-N 341.363 3.933 0 1 EHAF CCS(=O)(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587163923 VMLNZTXJHNIWIE-GJZGRUSLSA-N 344.411 3.767 0 1 EHAF Oc1nc(O)c2ccc(/C=C/c3cccc(C(F)(F)F)c3)nc2n1 587368531 SGGAAEPCSCEVLB-SNAWJCMRSA-N 333.269 3.625 0 1 EHAF CS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1F 587210196 JHEUJNLLNOWHII-UHFFFAOYSA-N 327.380 3.543 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](CCc1cncc(OC)c1)CC2=O 587490972 QKOIZZGZPIPMOU-CQSZACIVSA-N 341.407 3.715 0 1 EHAF O=C(O)COc1ccc(CCc2cc3c4c(cccc4n2)CC3)cc1 587212200 QBDRMUGCCUZZTM-UHFFFAOYSA-N 333.387 3.582 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@@H](C)O)CC2=O 587489509 NRTJDYXSABNMNB-SPLOXXLWSA-N 340.419 3.672 0 1 EHAF CC[C@@]1(Cc2nc3cc(OC)ncc3[nH]2)CC(=O)c2ccccc2C1 587960995 PAAZMRNONSDMMJ-FQEVSTJZSA-N 335.407 3.735 0 1 EHAF NC1CC(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C1 587255444 PAEOFPSFAFCQKB-UHFFFAOYSA-N 348.166 3.624 0 1 EHAF CC1(C)C(O)C(C)(C)C12c1cccc(F)c1CCN2[C@@H]1CCSC1 962704327 KDFHAVYMGNLDTD-HVSQPAOISA-N 349.515 3.812 0 1 EHAF COC(=O)c1cc(C)ccc1[C@H]1CN=N[C@]12Cc1ccc(C)cc1C2=O 5539804 MHBBUIFYOBDBRL-WIYYLYMNSA-N 348.402 3.817 0 1 EHAF COc1cc2[nH]c(-c3cccc(O)c3)cc(=O)c2cc1-c1cnco1 13487585 XLFOSIACLINZKU-UHFFFAOYSA-N 334.331 3.564 0 1 EHAF CCN1CCN(C2=Nc3ccccc3N(CC)c3cscc32)CC1 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340.427 3.734 0 1 EHAF CC1=CN([C@@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@@H]2C)C(=O)[C@H]2[C@@H]1CC[C@H]2C 257525945 QTRZXLVUEGDULY-LGTWEPTNSA-N 331.456 3.576 0 1 EHAF endogenous,in-man CCn1cc(-c2csc(N)n2)c(=O)c2ccc(C(F)(F)F)cc21 653895755 IODZPSZCFJRGCS-UHFFFAOYSA-N 339.342 3.746 0 1 EHAF FC(F)(F)c1ncc2nc([C@H]3C[C@]34CCc3ccccc34)nc-2[nH]1 586884385 HQCAEUZVQYGEJE-BZNIZROVSA-N 330.313 3.695 0 1 EHAF N=c1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c[nH]1 587159845 VVBJUUSPJWVNBH-UHFFFAOYSA-N 344.353 3.515 0 1 EHAF C[C@]1(C[C@@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616244 JJOSGWYAAQTDDQ-WSXQUGQNSA-N 340.375 3.682 0 1 EHAF COC(=O)c1cccc2[nH]c(-c3nc4ccc(OC)cc4s3)nc12 587034470 GHPRMSBRUTTYRF-UHFFFAOYSA-N 339.376 3.635 0 1 EHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cncc(Cl)c4[nH]1)(C3)C2 587949804 CQTDRBQEJAMIIM-CCHVVGMOSA-N 345.830 3.765 0 1 EHAF COc1ccc(-c2cccc(-c3nc4ncc[nH]c-4n3)c2C)c(OC)c1 587929282 LYLRWYVROYXLBM-UHFFFAOYSA-N 346.390 3.964 0 1 EHAF Cc1c(C)c(O)n(-c2cnc3cc(Br)ccc3c2)c1O 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Nc1nc2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CC1)CC2 28714157 IZIZYUAWSQWDRE-RRMPHLOHSA-N 337.467 3.878 0 1 EHAF C[C@]12CC[C@H](OC=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](NC=O)CC[C@H]12 2356710459 FFINRYRFPXXAGN-UPYGWULESA-N 347.499 3.685 0 1 EHAF S=c1sc(=Nc2ccc(Br)cc2)n2n1CCCC2 2356832745 ICRCGJXKHDVZBV-UHFFFAOYSA-N 342.287 3.869 0 1 EHAF O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCOc2ncccc21 146684112 NQFZBCDOXBDJOK-CQSZACIVSA-N 337.206 3.571 0 1 EHAF CC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1[C@H]1[C@@H]2COC[C@@H]21 148070870 KLLAUTOCKZNXRH-LAQFHYBYSA-N 326.375 3.506 0 1 EHAF Nc1cccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1C(=O)O 587248112 DGNOYHNTRIWACN-UHFFFAOYSA-N 339.248 3.668 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)ccc1N 587870401 GZBOADNXEZEWIL-UHFFFAOYSA-N 339.370 3.667 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncs1 587620128 XOWDDNJDMAEXBG-PBHICJAKSA-N 325.345 3.552 0 1 EHAF Cc1ccc(-c2nc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)cs2)o1 587016047 FKKOXIXDGFFZPQ-UHFFFAOYSA-N 337.364 3.837 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1 586915492 DQPQFKNJVLZNKM-VBKZILBWSA-N 346.390 3.656 0 1 EHAF CCCCNC(=O)c1cc(N)ccc1Oc1ccc(OCC)cc1 914431269 RDHPPQMUBJSJFR-UHFFFAOYSA-N 328.412 3.990 0 1 EHAF CC(C)(C)OC(=O)Nc1nc(Cc2ccccc2)c([C@@H](N)N=O)s1 958045401 LDPVPUHLJACEEY-ZDUSSCGKSA-N 348.428 3.805 0 1 EHAF Cc1sc2c(c1C)CCN[C@]2(Cc1c[nH]c2ccccc12)C(=O)O 963033021 WLFFCTTZXXBNIX-IBGZPJMESA-N 340.448 3.515 0 1 EHAF NC(=O)c1ccc(-c2cc(-c3ccc(F)c(Cl)c3)cnc2N)cc1 140562700 VFRFUUPUTJLSIJ-UHFFFAOYSA-N 341.773 3.889 0 1 EHAF CCSc1cc(N2CCOCC2)nc(-c2ccccc2Cl)n1 5175800 ZEQCYEPYFGAOBJ-UHFFFAOYSA-N 335.860 3.746 0 1 EHAF CN1CCN(c2nc3sc(-c4ccccc4)cc3n3cccc23)CC1 13755980 DRJDHULKURBTLQ-UHFFFAOYSA-N 348.475 3.968 0 1 EHAF CCOc1cc2c(cc1O)CC(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 13809099 SOIPLRPHJHQQGL-VBFRANPASA-N 344.451 3.577 0 1 EHAF O=[N+]([O-])c1cccc(-c2csc(N/N=C/c3cccnc3)n2)c1 41213150 HCRHOINSWNSHTE-RQZCQDPDSA-N 325.353 3.559 0 1 EHAF CN1CCN(c2cc(-c3ccc(F)cc3)nc(-c3ccccc3)n2)CC1 1498532 ATLPSDSFPWZFMI-UHFFFAOYSA-N 348.425 3.702 0 1 EHAF C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26395468 HABYHHAEXZCLGB-CODHCHNUSA-N 333.516 3.847 0 1 EHAF CCC[C@H]1CC[C@@H]2Oc3c(OC)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@@H]13 26675370 PGBXOIHYFFYKQT-QCKGUQPXSA-N 327.468 3.781 0 1 EHAF CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(Cl)cc1 104115737 NGUMRQOAPPHHLH-SXWSKBOKSA-N 347.806 3.608 0 1 EHAF CSc1ccc(CN2CC[C@@]2(C)C(=O)NCc2cccs2)cc1 61897886 GOFOXHGFUUHJLC-SFHVURJKSA-N 346.521 3.751 0 3 EHAF C[C@H]1C[C@H](C)[C@H]([C@H](C)C=CC(=O)O)O[C@@H]1CC(=O)c1ccc(N)cc1 2356614992 RHBKNRVHUONUJZ-UBEDIWPWSA-N 345.439 3.548 0 1 EHAF O=C(NCc1ccccn1)[C@@H]1CC2c3ccccc3C1c1ccccc12 66251013 LHGLKAYILWQCCQ-ATKRNPRHSA-N 340.426 3.995 0 1 EHAF COc1ccc2c(=O)n(CC(C)C)c(CN)c(-c3ccccc3)c2c1 72105474 XTAAQZWWWVBDRN-UHFFFAOYSA-N 336.435 3.792 0 1 EHAF COc1cccc(CCNCc2coc(-c3ccc(F)cc3)n2)c1 72101878 IFOQKAXKCFECPE-UHFFFAOYSA-N 326.371 3.822 0 1 EHAF C[C@H](Nc1nccc(-n2cnc3ccc(N)cc32)n1)c1ccccc1 33968643 ZANBBHPHIFRQCN-ZDUSSCGKSA-N 330.395 3.571 0 1 EHAF CC1(C)C=Cc2c(cc(O)c3c2O[C@@H](c2ccc(O)cc2)CC3=O)O1 13397613 JTJIFFUHXHGAOQ-MRXNPFEDSA-N 338.359 3.989 0 1 EHAF biogenic O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCc2ncsc21 220861086 QOYIRVIYNIXXIM-SNVBAGLBSA-N 327.236 3.796 0 1 EHAF COc1ccc(F)cc1-c1cc(NC2Cc3ccccc3C2)ncn1 82161766 KKANQXPTMKJNJY-UHFFFAOYSA-N 335.382 3.871 0 1 EHAF C=C/C(C)=C/C=C/[C@@](C)(O)C[C@H](OC(=O)/C(C)=C\C)[C@H]1OC1(C)C 238749620 GCBHUVDLKRWKNI-ZSAAJVMLSA-N 334.456 3.871 0 1 EHAF C/C=C/c1ccc(O[C@H](C)[C@H](O)c2ccc3c(c2)OCO3)c(OC)c1 95594991 GGBKDCVGZUNOHB-VJKFFZBSSA-N 342.391 3.958 0 1 EHAF C=CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)NC)[C@@H]1CC2 473124695 OBGSQOTUMUYBMZ-UIFIKXQLSA-N 341.451 3.534 0 1 EHAF Cc1cc(COc2ccc(F)c(F)c2F)nc(-c2ccccn2)n1 653794059 ASKMLQHBZBMWBH-UHFFFAOYSA-N 331.297 3.843 0 1 EHAF COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1-c1ccccc1 587559962 QZTRBBFKAVNFCR-UHFFFAOYSA-N 345.358 3.779 0 1 EHAF Cc1ccnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587767835 BIMXRQWBYPMJNU-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF CN(C)C(=O)c1ccc2nc(-c3ccc4ccccc4c3N)[nH]c2c1 587253992 UMCGMHCBGWNSAW-UHFFFAOYSA-N 330.391 3.667 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccccc4)c1C)[C@@H](C2)C3=O 587433165 VPGBOFHPJBKSIK-HRAATJIYSA-N 346.386 3.678 0 1 EHAF COc1ccc(/C=C/Cc2nc3cccc(C(=O)O)c3[nH]2)c(OC)c1 587929269 LURNXHKEAMQVEY-HWKANZROSA-N 338.363 3.534 0 1 EHAF CCC(C)(C)c1ccc(OCc2nc3cccc(C(N)=O)c3[nH]2)cc1 587564270 HKLCVLAUOPFNSX-UHFFFAOYSA-N 337.423 3.928 0 1 EHAF COc1cc(O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 587424207 XYVVHYAUFBNTJW-ZMZPIMSZSA-N 346.766 3.552 0 1 EHAF Oc1c(Br)ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 587173601 GCRYKTSAKFNVJO-LBPRGKRZSA-N 349.159 3.846 0 1 EHAF Cc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587131627 AIEJQXCXOYIHTM-NSHDSACASA-N 337.370 3.841 0 1 EHAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(F)cc12 587509452 RXLHNCMTNVVPHR-HXUWFJFHSA-N 337.350 3.517 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@@H](C)O)CC2=O 587493864 IGEWJTHFBITVCA-ADLMAVQZSA-N 332.421 3.648 0 1 EHAF Cc1ccc([C@@H]2S[C@H](C)C(=O)Nc3cc4c(cc32)OCO4)cc1 1772647639 YPZHHKSPKYTTJY-DIFFPNOSSA-N 327.405 3.887 0 1 EHAF O=C(NOc1ccccc1)Nc1csc(Cc2ccccc2)n1 13553628 FNNYPTMWNQUMRR-UHFFFAOYSA-N 325.393 3.849 0 1 EHAF CC/C(=C\c1ccc(O[C@H](C)C(=O)O)c(Cl)c1Cl)[N+](=O)[O-] 169340550 RNYYKOWWMVGPHR-TUOMEMKJSA-N 334.155 3.873 0 1 EHAF O=C1CCC[C@H]2C[C@H](NCc3ccccc3F)CC[C@]23CCCN13 205705606 MXFUKNKXPNJDJE-SQGPQFPESA-N 330.447 3.629 0 3 EHAF O=C(Nc1ccccn1)c1nn(Cc2ccccc2)c2ccccc12 1857567657 KTABJOUBAOXPAR-UHFFFAOYSA-N 328.375 3.732 0 1 EHAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N(C)C 4295642 QCTGOOPKPYSFQZ-QZTJIDSGSA-N 332.444 3.797 0 1 EHAF CN1C[C@@H]2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)[C@@H]1C2 100647395 VERXRKORTGMYCE-VDGAXYAQSA-N 335.447 3.628 0 1 EHAF COc1ccccc1-c1cc(-c2cc3ccccc3oc2=O)nc(N)n1 103206061 LEWJGQDFGDNUHK-UHFFFAOYSA-N 345.358 3.508 0 1 EHAF 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CCCNC(=O)c1[nH]c(C)c(Cc2ccc(C(F)(F)F)nc2)c1C 1911581841 JAJFNZLWVZZBLP-UHFFFAOYSA-N 339.361 3.776 0 1 EHAF CCCc1cc(NC2CCN(C)CC2)nc(Nc2ccc(F)cc2)n1 45192358 NRBIMXNTEJMNSK-UHFFFAOYSA-N 343.450 3.818 0 1 EHAF Cc1cccc(-c2nc(NCC3CC3)ncc2C(=O)N2CCCC2)c1 82145503 WAKKIEJZUUUSLP-UHFFFAOYSA-N 336.439 3.510 0 1 EHAF Cn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144777681 BEINOJSOCXJQMT-KRWDZBQOSA-N 330.309 3.866 0 1 EHAF Cn1cnc2cc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)ccc21 96169405 LSLNLSFJUBTUFR-PXNSSMCTSA-N 331.419 3.518 0 1 EHAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccc2ccccc12 253633338 JKAFFXOGVDWHNS-ZBSZIUACSA-N 333.431 3.879 0 1 EHAF Cc1cc(NCc2cccc(Cl)c2)c2cccc(C(N)=O)c2n1 473095141 XINRIYBDTOUMKU-UHFFFAOYSA-N 325.799 3.908 0 1 EHAF Cn1cc(-c2cnc3ccnc(NCc4ccc(F)cc4)c3c2)cn1 473102076 LKDXRWLPKMLFOL-UHFFFAOYSA-N 333.370 3.782 0 1 EHAF Fc1ccc2c(c1)-c1cc(n(-c3nccc(-c4cccnc4)n3)n1)O2 587874431 AGAQFAQJIYZFGW-UHFFFAOYSA-N 331.310 3.636 0 1 EHAF CC(=O)Nc1cccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587242149 HUNRHJGSJBUNEU-UHFFFAOYSA-N 334.301 3.526 0 1 EHAF CCOC(=O)CNc1ccc(-c2nc3cc(F)c(C)cc3[nH]2)cc1 587225369 QFZQRMBMNGXZEZ-UHFFFAOYSA-N 327.359 3.652 0 1 EHAF CCCc1c(-c2ncccc2C)[nH]c2ccc(S(C)(=O)=O)cc12 587651752 YGAPISDAAPCRAW-UHFFFAOYSA-N 328.437 3.894 0 1 EHAF N[C@@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@H]1c1ccccc1F 587155105 HUBWSKBNMSHZJI-AYVTZFPOSA-N 337.185 3.745 0 1 EHAF COc1c(F)ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1N 587132869 JNDJFSLTXKFDPD-UHFFFAOYSA-N 327.146 3.662 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnc([C@@H]4C[C@H]4C)s1)[C@@H](C2)C3=O 587452544 NYRAAPBWDVYECS-NGBGRFTOSA-N 327.405 3.764 0 1 EHAF CCOC(=O)C[C@]1(C2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1 587397895 BVQDZALHQNRPQR-FQEVSTJZSA-N 345.439 3.815 0 1 EHAF O[C@@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1Cl 587057573 BVFXEXJQCCREAI-LLVKDONJSA-N 328.586 4.000 0 1 EHAF CC(=O)N[C@H](Cc1nc2ccc3ncccc3c2[nH]1)c1ccc(C)cc1 587216820 NSWMNRXXAIPRAS-LJQANCHMSA-N 344.418 3.839 0 1 EHAF 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336.439 3.863 0 1 EHAF CCN(CC)C(=S)Nc1sc2c(c1C(=O)O)CCCCC2 43077007 YGHVDTHISFMMCA-UHFFFAOYSA-N 326.487 3.754 0 1 EHAF CC(C)=CCc1c(O)cc(O)c(C(=O)CCc2ccc(O)cc2)c1O 144772777 QLJIAZMTIULFGW-UHFFFAOYSA-N 342.391 3.833 0 1 EHAF Cc1nc(NC(=O)c2nc(C)n(-c3ccc(F)cc3)c2C)ccc1F 95605068 YZKJBYRDKXPMTG-UHFFFAOYSA-N 342.349 3.723 0 1 EHAF Cc1c(O)ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c1C 144545813 KPJFKOIYBHYGEQ-UHFFFAOYSA-N 340.427 3.796 0 1 EHAF COC(=O)/C(=C\C[C@@H]1[C@@]2(CC[C@@H]3C(C)(C)CCC[C@]13C)CO2)[C@@H]1CO1 95486371 ZLHMCXAVSLJKRX-VHBWLNAHSA-N 348.483 3.886 0 1 EHAF biogenic,in-vitro CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](O)C(=O)[C@]4(C)CC[C@H]32)C1 255205445 DEFGFJXDFQPYFM-CGRRXUGTSA-N 348.483 3.501 0 1 EHAF NC(=O)c1cncc(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)c1 261117221 IZCLZTYQBWLSOM-HDJSIYSDSA-N 338.407 3.596 0 1 EHAF Cc1cc(OCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1 473155344 RTXBRIZEOOPSMR-UHFFFAOYSA-N 330.391 3.987 0 1 EHAF CCOc1ccc(OCC)n1-c1cccc(Br)c1N 587936232 HHASRDAJVHDPPM-UHFFFAOYSA-N 325.206 3.619 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cn3cccc(F)c3n1)CC2=O 587471992 OEWGKWZVODMLBE-QGZVFWFLSA-N 340.354 3.838 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc4cccc(OC)c4[nH]1)[C@@H](C2)C3=O 587439874 XRXAESQNMWTDGY-RBZFPXEDSA-N 335.359 3.674 0 1 EHAF C[C@H]1C[C@@]2(CCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587833223 MLWKMTMYOUTEQR-HFBDOXOYSA-N 328.225 3.517 0 1 EHAF Cc1cnc(Cl)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 587041614 NVRIZKSXZMSWDY-STQMWFEESA-N 344.871 3.866 0 1 EHAF Fc1ccc(OCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 587169483 XMCNODDVTMIWCS-UHFFFAOYSA-N 326.306 3.606 0 1 EHAF Cc1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587772246 FCHGSBJMYVTJQX-UOWDBTKRSA-N 339.208 3.817 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c3c(c1)OCO3)O2 587379883 LVZFFBAZSCBTGZ-CQSZACIVSA-N 331.755 3.666 0 1 EHAF CCS(=O)(=O)c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 587059034 LXIIMRGWLCYXNO-UHFFFAOYSA-N 348.855 3.795 0 1 EHAF COC[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792978 MJIMZPRETWKJJB-YHAQOWFVSA-N 330.241 3.620 0 1 EHAF C[C@]1(c2cc(C(F)(F)F)ccc2F)NCCc2ccc(O)cc21 963352654 NGBCQIKOBPCJRO-INIZCTEOSA-N 325.305 3.959 0 1 EHAF COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1c(C)cc(C)cc1C2=O 5539704 UXAZKBHZGZZGML-NQIIRXRSSA-N 348.402 3.817 0 1 EHAF C[C@@H](Cc1ccc2c(c1)OCO2)[C@H](C)[C@@H](O)c1ccc2c(c1)OCO2 14646571 SDXLCXZRXWWAGW-KQHSUYLTSA-N 342.391 3.692 0 1 EHAF endogenous,in-man Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)[C@H]2C[C@@H]2C)s1 14952100 RUBISUIXANSRAF-UWVGGRQHSA-N 349.843 3.952 0 1 EHAF CC(=O)Nc1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1 423757 JXXNWRLWFOOJDL-KRWDZBQOSA-N 330.384 3.563 0 3 EHAF CC(C)n1c(=O)nc(-c2ccc(F)cc2)c2cc3c(cc21)OCO3 2010358 HJICZLOIHNWNNY-UHFFFAOYSA-N 326.327 3.512 0 1 EHAF C[C@@H](C=C[C@@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C)C(C)(C)O 2356391170 SHUNDKCHHXBLQQ-DLTADMCBSA-N 348.483 3.584 0 1 EHAF CC(=O)O[C@H](CCc1ccc(O)cc1)C[C@@H](O)C=Cc1ccccc1 2356411443 PMPAJIJYADFUOO-LEWJYISDSA-N 340.419 3.721 0 1 EHAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055522 LPQDHYUYVRBAOE-RDJZCZTQSA-N 346.814 3.941 0 1 EHAF CC[C@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]13 101466288 RUNRCUXZMMKEMO-NZYDNVMFSA-N 339.479 3.676 0 1 EHAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@@H](CO)C(=O)O)[C@H](O)C1 2356777643 APNQDBXMTOZFPF-VSZNYVQBSA-N 326.477 3.764 0 1 EHAF CNCCc1ccc(OC)c2c1C=Cc1ccc(OC)c(OC)c1O2 14694869 JADHMUPTWPBTMT-UHFFFAOYSA-N 341.407 3.750 0 1 EHAF biogenic Oc1nnc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)o1 73245019 BJQZXZCBJBYLRM-HNNXBMFYSA-N 340.770 3.784 0 1 EHAF CN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C2=C1CCCC2=O 32619983 XTTXERWHUNSVEX-CQSZACIVSA-N 325.195 3.697 0 1 EHAF COc1cc2oc3c(c(=O)c2c(O)c1C)-c1ccccc1O[C@H]3OC 34206525 SRHRAINFNPVRDF-LJQANCHMSA-N 340.331 3.520 0 1 EHAF COc1ccc(-c2cc(=O)n3[nH]c(C)c(-c4ccc(F)cc4)c3n2)cc1 135721562 RDZFARORWYKRJY-UHFFFAOYSA-N 349.365 3.813 0 1 EHAF CC[C@H](C)Nc1ncc(C(=O)NCC2CC2)c(-c2ccccc2F)n1 82151755 XJOJPYQARSGPQP-LBPRGKRZSA-N 342.418 3.633 0 1 EHAF Cc1nn(C)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2 140111743 JYTZGWOWCXONQX-UHFFFAOYSA-N 337.354 3.533 0 1 EHAF Nc1cc(C(=O)N2CCC[C@H]3c4ccccc4C[C@@H]32)ccc1Cl 96169453 MQSHZJOEGPXUAT-YJBOKZPZSA-N 326.827 3.867 0 1 EHAF O=C(O)CCCCNCCCC(O)(c1ccccc1)c1ccccc1 299854498 ZSOPPZBTJXSFHD-UHFFFAOYSA-N 341.451 3.547 0 1 EHAF CC(C)CC(=O)N1CC(=O)c2sc(Nc3ccc(F)cc3)nc2C1 299849826 BOYGXZYMGXALRZ-UHFFFAOYSA-N 347.415 3.597 0 1 EHAF CCCCOc1cccc2cc(C(=O)NC(CC)CC)c(=O)oc12 299868573 RUQJUWAZFRKOHX-UHFFFAOYSA-N 331.412 3.890 0 1 EHAF COc1cc2c3c(c1)OC1(CCN(C4CCCCC4)CC1)[C@@H](C2)C3=O 587435646 HPQRTYAHONPIII-KRWDZBQOSA-N 341.451 3.610 0 1 EHAF Fc1c(Br)cc2nc(C(F)(F)C(F)F)[nH]c2c1F 587089802 YMJILPOEIWAWRZ-UHFFFAOYSA-N 333.029 3.961 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnsc2)N1 587859956 ZFZBYTOEJCRMAU-WPPNPWJKSA-N 327.222 3.668 0 1 EHAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(O)nccc3[nH]2)cc1 587244638 QJILHAWWJIGDKE-UHFFFAOYSA-N 330.347 3.583 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(OC)c2[nH]1 586916073 JOUZKVOBBYHGPS-JLTOFOAXSA-N 336.391 3.788 0 1 EHAF CCCc1c(O)ccc2c1O[C@](Cn1cccn1)(C(C)C)CC2=O 587479496 UEJDLTRQWONUDS-LJQANCHMSA-N 328.412 3.601 0 1 EHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(F)cn1 587658293 KBLGBVFGWKXCDV-UHFFFAOYSA-N 335.313 3.726 0 1 EHAF Oc1nc(O)c2ccc(-c3cc(Cl)c(Cl)cc3F)nc2n1 587368221 KIDMAQUBNHZYPD-UHFFFAOYSA-N 326.114 3.549 0 1 EHAF N[C@@]1(c2nc3cccc(Br)c3[nH]2)C[C@H]1c1ccccc1F 587154103 CVFSJRAGQHLVPZ-QFYYESIMSA-N 346.203 3.806 0 1 EHAF CCOC(=O)C[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587522927 JEYNUVONVFHPLQ-HXUWFJFHSA-N 330.424 3.879 0 1 EHAF COc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(Cl)n1 587084263 WANJNIGQEVMOOQ-UHFFFAOYSA-N 329.574 3.989 0 1 EHAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccncc3)[nH]c12 587638360 KBYUXIWZWIFGHW-UHFFFAOYSA-N 334.253 3.673 0 1 EHAF C[C@@]1(c2nc3c(F)cnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173685 GJRBFTDIONJPTF-INIZCTEOSA-N 349.724 3.518 0 1 EHAF Cc1nccc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 587126557 CVKZMHHNNCJMDD-UHFFFAOYSA-N 333.273 3.708 0 1 EHAF Clc1ncnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 587021747 OLWLOUBPNAVXDB-UHFFFAOYSA-N 327.800 3.721 0 1 EHAF CC(=O)N[C@@H](Cc1nc2cc(C)c(F)cc2[nH]1)c1ccc(C)cc1 587207405 SNSCIJDLLGBQOE-INIZCTEOSA-N 325.387 3.739 0 1 EHAF c1cc2c(s1)[C@@H](Cc1nc3cc4c(cc3[nH]1)OCCCO4)OCC2 587035098 LHKGCZBHPRDTRR-MRXNPFEDSA-N 342.420 3.642 0 1 EHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N(C)C 587859152 FYFQKSFUKBRVCC-UHFFFAOYSA-N 344.267 3.950 0 1 EHAF COC(=O)[C@@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)C1(C)C 587107880 XBDTYDONVQZRCR-SFHVURJKSA-N 343.382 3.994 0 1 EHAF CN(C)C(=S)Oc1ccc([C@H]2NCCc3cc(Cl)ccc32)cc1 963389900 DIOZSFVDPBWRSW-QGZVFWFLSA-N 346.883 3.800 0 1 EHAF O=c1ccc2ccc(OC[C@H]3CC(c4ccc(F)cc4)=NO3)cc2o1 1772641478 KMGHUSGIHILLLC-MRXNPFEDSA-N 339.322 3.504 0 1 EHAF CCNC(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1 13490949 KVNDPOMKLVNLRR-UHFFFAOYSA-N 340.474 3.862 0 1 EHAF Cn1ncnc1COc1cccc(-c2cnnc(-c3ccccc3)c2)c1 13673507 PXCVVFWVLHUINV-UHFFFAOYSA-N 343.390 3.518 0 1 EHAF OC[C@H](O)CNc1cc(-c2ccc3c(c2)CCCC3)nc2ccccc12 13818412 KRKXHQDLTDKRHH-GOSISDBHSA-N 348.446 3.546 0 1 EHAF CN(C)CC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947031 QHHRPUJOBJAVFG-RPHTVSPISA-N 341.495 3.939 0 1 EHAF C[C@@]12CC[C@H](O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O 169727178 YBLBQJOVMZSVSV-BONVTDFDSA-N 325.286 3.988 0 1 EHAF Cc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc2cccnc12 115595564 WVMUMGJCMIBIHB-BAOAJVHZSA-N 329.403 3.797 0 1 EHAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@@H](O)COc1ccccc1 26730529 WDZDIEKLAXEABE-QGZVFWFLSA-N 338.451 3.519 0 1 EHAF COc1ccc(CCN2C(=O)CS[C@@]2(C)c2ccc(C)cc2)cc1 38149932 YLRDEODUPITVFV-FQEVSTJZSA-N 341.476 3.994 0 1 EHAF CC(C)C[C@@H](NO)c1c[nH]c2ccc(I)cc12 71331198 QVMLBUPYXLUVCB-CYBMUJFWSA-N 344.196 3.839 0 1 EHAF CC(C)=CCc1cc([C@@H]2Oc3cc(O)ccc3C[C@H]2O)ccc1O 14819216 PTZNBCJWCJFLPQ-QUCCMNQESA-N 326.392 3.644 0 1 EHAF biogenic C[S@@](=O)c1ccc(-c2coc3ccc(-c4nnc(O)o4)cc23)cc1 45284406 VKRCNNWCBJISTL-DEOSSOPVSA-N 340.360 3.593 0 1 EHAF Cc1ncc(C(=O)NC2(C)CCC2)cc1-c1ccc2cc(N)ncc2c1 144377586 QBDGDEHXWLRTAB-UHFFFAOYSA-N 346.434 3.860 0 1 EHAF CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(F)cc2)O1 95567439 AVPULNFWAOMEGJ-SWLSCSKDSA-N 334.416 3.792 0 3 EHAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(F)cnc3[nH]2)c1 586914981 DRYBFWBEBJXXMV-UHFFFAOYSA-N 349.321 3.865 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c3ccccc3c1=N)O2 587391423 TZUPKJIEDMGPOD-NRFANRHFSA-N 347.418 3.727 0 1 EHAF O=Cc1ccc(OCCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587566701 XNMYOYWYCOVETJ-UHFFFAOYSA-N 336.178 3.699 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c4ncccc14)[C@@H](C2)C3=O 587435400 FSIMARXXTPHTPY-BTYIYWSLSA-N 347.370 3.612 0 1 EHAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(F)c(F)cc2[nH]1 587117509 SXXGQYOFYGODBY-UHFFFAOYSA-N 336.651 3.914 0 1 EHAF CC(C)[C@@H](c1nc2cnccc2[nH]1)N(C)C(=O)OCc1ccccc1 587198190 AXMCVJKHPYLCEB-KRWDZBQOSA-N 338.411 3.924 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)c(O)nc1C)O2 587379956 ZDFDJCCPOFPQOK-KRWDZBQOSA-N 332.787 3.520 0 1 EHAF COc1cc2c3c(c1)O[C@@H](C(C)(C)CN1CCC[C@H](C)C1)[C@@H](C2)C3=O 587438553 QFKPGVSROVDHBI-ZSOFBXJNSA-N 343.467 3.569 0 1 EHAF Cc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587587669 NXRGCNWHKRQDFF-GHTZIAJQSA-N 347.370 3.973 0 1 EHAF CC[C@]1(Cc2nc3ccnc(OC)c3[nH]2)CC(=O)c2ccccc2C1 587959062 BYGBQFMQTDAPDI-HXUWFJFHSA-N 335.407 3.735 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(CC)c1C)CC2=O 587474085 ASCPMMFTTFPTAY-QGZVFWFLSA-N 328.412 3.884 0 1 EHAF CNC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362776 NDOGUOHRVZLDPF-UHFFFAOYSA-N 346.386 3.945 0 1 EHAF C/C(=C/c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C1CCCCC1 587968501 RCBZUCBRHHZMKC-SEYXRHQNSA-N 347.484 3.797 0 1 EHAF Fc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c(F)c1F 587017009 QUHDPUGDOMBFPV-VIFPVBQESA-N 325.315 3.955 0 1 EHAF O=C1OC(c2ccccc2)=C/C1=N/Nc1ccc(Br)cc1 220349951 ZIJVTWUJHKGZCE-RGEXLXHISA-N 343.180 3.815 0 1 EHAF O=C(Nc1ccc(Cl)cc1)c1scnc1CCc1cnoc1 14946537 HPGOEMWDBCJDOY-UHFFFAOYSA-N 333.800 3.822 0 1 EHAF CCC[C@](C)(O)CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 169325103 BKQOYRTUVNHKLN-PBASOCQRSA-N 331.500 3.858 0 1 EHAF COCCNc1cccc(NC(=O)c2ccccc2Br)c1 1857596862 DVFQQLZDCCCOFE-UHFFFAOYSA-N 349.228 3.760 0 1 EHAF O=C1CN(C(=O)C2CC2)[C@H](c2ccccc2)c2cc(Cl)ccc2N1 212208 HAOHFVHPFPVJHS-GOSISDBHSA-N 340.810 3.620 0 1 EHAF CC1=CCC2(C(=O)OC(C)(C)OC2=O)[C@@H](c2ccc(Cl)cc2)C1 1093199 SZIWSAYMSDSKDS-CQSZACIVSA-N 334.799 3.986 0 1 EHAF Cc1cc(NC(=O)c2cccc(F)c2)ncc1NC(=O)c1ccco1 1352833 QZSMVYNLYAZMOV-UHFFFAOYSA-N 339.326 3.627 0 3 EHAF Cc1ccc2[nH]c([C@@H]3CCN(Cc4ccc(C(=O)O)cc4)C3)nc2c1 51048190 BYQKIHREUVISIV-MRXNPFEDSA-N 335.407 3.559 0 1 EHAF biogenic c1ccc(CCc2ccccc2OCCCCN2CCNCC2)cc1 29485193 HZQFATCBDFYPST-UHFFFAOYSA-N 338.495 3.536 0 1 EHAF Cc1n[nH]c(C)c1C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 101126590 QYQKTZYHTRNKFJ-QAQDUYKDSA-N 341.455 3.642 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2cccnc2)/C1=C(\O)OC(C)(C)C 27561148 CEXGBWBECURUAJ-BXWAGETQSA-N 331.372 3.733 0 1 EHAF CC(=CC(=O)O)CC[C@@]1(C)[C@@H]2CCC=C(CO)[C@@]2(CO)CC[C@H]1C 2356565257 SUIJWPJRFXANRY-VUBSUSDNSA-N 336.472 3.541 0 1 EHAF CC(C)[C@]1(O)CCC2=C(CC[C@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)[C@H]1O 2356639163 HBNMFHJIMJHWIA-APQLOABGSA-N 336.472 3.516 0 1 EHAF COc1cccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c1 36386642 ATKHSMJURQAPMF-UHFFFAOYSA-N 332.359 3.869 0 3 EHAF O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3cccc(O)c3c21 36471129 HCJBCNCDISDDQI-UHFFFAOYSA-N 328.327 3.577 0 1 EHAF CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C 36385329 DBPWSSGDRRHUNT-FLNLFJTMSA-N 330.468 3.838 0 1 EHAF CCN(c1ccc2[nH]c(=O)c(CC(C)C)nc2n1)C1CCCCC1 82231791 TXIMQXXMABNOFD-UHFFFAOYSA-N 328.460 3.676 0 1 EHAF Cc1cccc(NC(=O)c2nn(C)c(OCC3CCCCC3)c2C)n1 95603902 HJUYEZVNLJFONQ-UHFFFAOYSA-N 342.443 3.643 0 1 EHAF Cc1nn(C(=O)c2ccccc2)c2c1nnc1cc(Cl)c(F)cc12 95563772 YTCMWYCWGFHPMO-UHFFFAOYSA-N 340.745 3.769 0 1 EHAF CN(C)CCNC(=O)c1cn(CC2CCCCC2)c2ccccc12 299835539 XDCTVCMADUWJNQ-UHFFFAOYSA-N 327.472 3.513 0 1 EHAF O=C(NCCc1nc(-c2ccccc2F)cs1)c1ccccc1 653848700 ITINOBUUJGYWBV-UHFFFAOYSA-N 326.396 3.922 0 1 EHAF Cc1nn2c(=O)cc(-c3ccc4c(c3)CCO4)[nH]c2c1-c1ccccc1 653672744 LXZIBSHGPUWUDL-UHFFFAOYSA-N 343.386 3.600 0 1 EHAF Cc1c(-c2cncn2C)[nH]c2c1c(Br)cc1n[nH]cc12 587622411 AVGRGCDGGHUOFX-UHFFFAOYSA-N 330.189 3.516 0 1 EHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(C)nc(C)cc2[nH]1 586963399 MRLLRBMNJUNAIG-GFCCVEGCSA-N 329.429 3.622 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccs2)N1 587854593 RBUXBYGDDSUYRO-KRTXAFLBSA-N 327.222 3.668 0 1 EHAF Cc1cnc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 587204098 IJIPEDLKOHIRCF-CYBMUJFWSA-N 332.448 3.748 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3C[C@H]1CCC3=O)CC2=O 587487134 ZLBZXPVTQKQUNC-MRRFBWAASA-N 328.408 3.828 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)cn1)[C@@H](C2)C3=O 587423670 UTTIDSJBPJZZRM-SJCJKPOMSA-N 349.308 3.772 0 1 EHAF OCCc1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586895090 OBUGDJZILIUVLU-UHFFFAOYSA-N 344.414 3.924 0 1 EHAF 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27558031 PUUPZKOPMUOSFR-UHFFFAOYSA-N 347.201 3.974 0 1 EHAF Cc1nc2c3c(c(C4=NCCO4)cn2c1C)CC[C@H](c1ccccc1)O3 28867302 FHUKUZLISTZZHW-GOSISDBHSA-N 347.418 3.794 0 1 EHAF CCCc1nc(C)nc2c(Br)c(-c3ccccc3)nn12 26497125 BNORJGZEVZQSMN-UHFFFAOYSA-N 331.217 3.815 0 1 EHAF CC(=O)N1C(=O)C(=Cc2nnc3ccccc3c2Cl)c2ccccc21 2356333032 NBPOAMQFOONFOB-UHFFFAOYSA-N 349.777 3.717 0 1 EHAF COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2[C@@H]1O3 29571705 QCKRJTMYXCHUDG-FQEVSTJZSA-N 348.402 3.712 0 1 EHAF O=C(NC=Cc1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12 2356665905 GHIXWSKNNGMWRO-UHFFFAOYSA-N 329.359 3.619 0 1 EHAF O=C(Nc1ccc(Cl)cc1-c1ccccc1)NC1(C(=O)O)CC1 218415092 BUNMXOSASAYWTL-UHFFFAOYSA-N 330.771 3.746 0 1 EHAF CN1CCC[C@@H]1[C@@H]1C[S@@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 40955537 UNZBDOQVZFAUNP-ZSTWQFLISA-N 347.524 3.661 0 1 EHAF CC(C)N1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)CC1(C)C 144062040 DXQNSMRICOYPJA-UHFFFAOYSA-N 333.435 3.910 0 1 EHAF COC(=O)C1=CN(Cc2ccccc2)C=C[C@H]1c1ccc(OC)cc1 95585542 UOJFPTHGIWIRRB-IBGZPJMESA-N 335.403 3.865 0 1 EHAF Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)ncc(=O)n1C 261079121 BJQLQUAXCPKNQA-UHFFFAOYSA-N 341.798 3.905 0 1 EHAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586894207 YVRPYWUVMVRXLZ-DJJJIMSYSA-N 338.407 3.870 0 1 EHAF N[C@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@@H]1c1ccccc1F 587155250 IZRXHLBSCNYSBC-ANRSDYALSA-N 337.185 3.745 0 1 EHAF COc1cccc(C(=O)c2ccc(-c3nc4c(O)nccc4[nH]3)cc2)c1 587932315 SIFQAABPZBPYEH-UHFFFAOYSA-N 345.358 3.570 0 1 EHAF CSc1nccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587533104 QYIKHCKOJIXODE-IBGZPJMESA-N 340.448 3.958 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccccc2n1C 587871173 BZYBUNJJDDOZQS-UHFFFAOYSA-N 336.370 3.964 0 1 EHAF COc1cccc(OC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527838 YZYHFGVEAJLAPM-QGZVFWFLSA-N 338.403 3.987 0 1 EHAF CCOCc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)o1 586902261 DAFGMHCVECJPCJ-UHFFFAOYSA-N 346.696 3.822 0 1 EHAF CCOC(=O)Cc1ccc2nc(-c3ncccc3C(F)(F)F)[nH]c2c1 587109190 VBTWZMLTPICNCI-UHFFFAOYSA-N 349.312 3.749 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CCO)cc1)CC2=O 587490112 QKYKVLNKSMUMEE-LJQANCHMSA-N 326.392 3.586 0 1 EHAF N[C@@H](N=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587018204 WIQRSABOJMPAJF-HNNXBMFYSA-N 339.380 3.594 0 1 EHAF O=[S@@](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)CC1CC1 586958767 ILSNKALBICBHTP-OAQYLSRUSA-N 334.388 3.834 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc[nH]c1C(=O)OCC)CC2=O 587480795 FNGBLVFSAHSWGS-MRXNPFEDSA-N 343.379 3.556 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](COc1ccc(OC)cc1)CC2=O 587477052 DKUVYANYJLIFRW-OAHLLOKOSA-N 342.391 3.766 0 1 EHAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cncc(Cl)c2[nH]1 587109141 UBRJYXZKNZENDF-UHFFFAOYSA-N 341.676 3.995 0 1 EHAF Oc1cc(O)cc([C@@H]2c3ccsc3CCN2Cc2ccco2)c1 962711551 PRQNBXSKYPHNEP-GOSISDBHSA-N 327.405 3.900 0 1 EHAF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)C3CCCC3)[C@H]2C1 4214891 DKLGLHQHLFISGJ-YLBFUXKPSA-N 348.483 3.682 0 1 EHAF in-man OCC1(C[C@H]2CCCCO2)CCN(C/C=C/c2ccccc2)CC1 11662804 ZQOYMBFIUOAQRR-AQDCRGGLSA-N 329.484 3.734 0 3 EHAF COc1ccccc1NC(=O)Nc1nc(-c2ccccc2)ns1 13862051 OQQPLVWSKSEXGZ-UHFFFAOYSA-N 326.381 3.858 0 1 EHAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@H](c1ccccc1)C3 13983742 CHLXKGQFNLQYNC-KRWDZBQOSA-N 347.462 3.925 0 1 EHAF NCc1c(N)nc(-c2ccccc2)nc1-c1ccccc1C(F)(F)F 14948323 YMBVUXDMUNIMIL-UHFFFAOYSA-N 344.340 3.870 0 1 EHAF N[C@@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1 14961037 OKPZLGADXZOPNX-OAHLLOKOSA-N 335.798 3.721 0 1 EHAF CN1C(=O)[C@H](c2ccc(C#Cc3cccc(F)c3)cn2)[C@@H]2CCCC[C@@H]21 204404587 ANKHAIGVTCEXMT-GIVPXCGWSA-N 348.421 3.735 0 1 EHAF Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCC3CCCC3)ccc12 1857562348 CEAROQBCSSSFBI-UHFFFAOYSA-N 330.380 3.606 0 1 EHAF O=C(Nc1cccc(F)c1)Nc1ccc2nc(-c3ccoc3)nn2c1 1857604349 NEWRHGKIPHXFIW-UHFFFAOYSA-N 337.314 3.772 0 1 EHAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NC(C)C)cc1 774377 LZJFBBRDKQULSS-UHFFFAOYSA-N 326.352 3.748 0 1 EHAF O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1cccc(Cl)c1 28256638 ORTNBVDGUJUFLD-CQSZACIVSA-N 327.689 3.547 0 1 EHAF CCN(CC)C(=O)c1sc(C)nc1-c1ccc(OC)c(OC)c1 103168600 WOFAKFSSIVGWHH-UHFFFAOYSA-N 334.441 3.618 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@H]2COC(=O)Nc1ccc(C(C)=O)cc1 2356874553 YWXKSFFRGPKTAN-HFTRVMKXSA-N 330.428 3.558 0 1 EHAF CCOC(=O)c1ccc(Nc2ncc(Br)s2)cc1 34987508 UCNQZHJDGNKKCF-UHFFFAOYSA-N 327.203 3.826 0 1 EHAF CCN(CCc1cccc(OC(F)(F)F)c1)CCN1CCCC1 40974608 BQYHDNIHHQQZPU-UHFFFAOYSA-N 330.394 3.545 0 1 EHAF O=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1cnccn1 82157059 HSXAJVLYBHRKFA-UHFFFAOYSA-N 344.374 3.642 0 1 EHAF C[C@H]1CO[C@]2(C)Oc3ccc4c(c3C[C@H]12)O[C@@]1(C)OC[C@H](C)[C@H]1C4 96900980 WVWQOPVABKDLEQ-XZRFTHSASA-N 330.424 3.554 0 1 EHAF FC1(F)CCN(CCSc2nnc(-c3ccccc3)o2)CC1 95568580 QCOPCDWNGIWEBQ-UHFFFAOYSA-N 325.384 3.560 0 1 EHAF CC1(C)C=Cc2c(ccc([C@H]3COc4cc(O)ccc4C3=O)c2O)O1 33838251 XCAPUWLNGWQEIS-OAHLLOKOSA-N 338.359 3.641 0 1 EHAF biogenic O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12Cc1ccccc12 587602238 GZVUMXPLUCMXKW-GHTZIAJQSA-N 330.339 3.805 0 1 EHAF O=Cc1ccc(OCCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587566368 JINYDISJMJESRD-UHFFFAOYSA-N 336.178 3.699 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCSC2)N1 587857996 NRRNRBJIZNOYAD-XPTSAGLGSA-N 330.266 3.845 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)n2)N1 587738502 OXPMUQYMMJNJIU-AYVTZFPOSA-N 339.183 3.746 0 1 EHAF O=S(=O)(/C=C/c1nc2cc(Cl)c(F)cc2[nH]1)c1ccccc1 586924288 OJTBQVFILVAHEE-VOTSOKGWSA-N 336.775 3.800 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS[C@@H]2C)N1 587857014 JXKAKXNDEUYGPL-RFXMVYNHSA-N 330.266 3.843 0 1 EHAF Cc1ccnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587770402 JHAQRDQYRUXYLK-MGPLVRAMSA-N 335.220 3.915 0 1 EHAF Fc1ccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)nc1Br 587156197 YZXDCPBEWDBZII-UHFFFAOYSA-N 346.081 3.944 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC1CC1)[C@@H](C2)C3=O 587445454 ZFNLBAZBJWVFKH-KKSFZXQISA-N 336.387 3.973 0 1 EHAF C=CC(=O)Nc1ccc(-c2nc3cc(C(=O)OCC)ccc3[nH]2)cc1 587243354 CIGHVORZYVASDR-UHFFFAOYSA-N 335.363 3.531 0 1 EHAF C[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582298 ZMEKAABTMOCKDN-NQIIRXRSSA-N 347.370 3.851 0 1 EHAF CN(C)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332211 CQGRHGIHDSIAHA-QUCCMNQESA-N 343.398 3.601 0 1 EHAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@](C)(O)[C@]12C 13322764 KGZOYCGNWWQQRH-SLIYRJDGSA-N 346.423 3.892 0 1 EHAF CCCn1c2c(ccc1=O)[C@@H](NCCc1c[nH]c3ccccc13)CCC2 13743266 JCHORQAJWHWKAC-FQEVSTJZSA-N 349.478 3.949 0 1 EHAF Cc1ccc(-c2csc(CC(=S)N3CCOCC3)n2)cc1C 16940190 VJPQUXXHIHCHOB-UHFFFAOYSA-N 332.494 3.629 0 1 EHAF Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4o3)C2)cc1 218671 WPUDGHGOLIBEIV-KRWDZBQOSA-N 349.434 3.669 0 3 EHAF COc1ccc(C(=O)N2CCC3(CCCN(CC(C)C)C3)CC2)cc1 3956236 WFUDWLQWQHYAJC-UHFFFAOYSA-N 344.499 3.669 0 1 EHAF CC(C)=CC[C@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 27882075 NVOIVNCGPIYQLV-UJMXGEILSA-N 340.504 3.599 0 1 EHAF CC[C@@H](C[C@H]1COC(N)=N1)Oc1cccc(OCc2ccccc2)c1 113977172 FTRBYWCINKUOKB-IRXDYDNUSA-N 340.423 3.527 0 1 EHAF CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)C2=O 2356640297 VUAJCLNFGUYDIL-ZWOKBUDYSA-N 328.408 3.701 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)Cc3occ(C)c3C[C@@H]2[C@@]1(C)O 2356672583 PWBVCFWIHKMIKC-ONCXSQPRSA-N 332.440 3.732 0 1 EHAF COc1cccc(C(=O)c2ccn(-c3cc(F)c(O)c(F)c3)c2)c1 66099970 RAFLAMXOHBZLHF-UHFFFAOYSA-N 329.302 3.701 0 1 EHAF C[C@H]1Oc2cc3c(c(O)c2C1(C)C)C(=O)C[C@H](c1ccc(O)cc1)O3 14723725 MNHSEANWZYLOHY-QMTHXVAHSA-N 340.375 3.863 0 1 EHAF biogenic CCC[C@H](Cc1coc2nc(N)nc(N)c12)c1ccccc1OC 45386592 YGUDCFAGRCRLHT-LLVKDONJSA-N 326.400 3.522 0 1 EHAF Nc1cccc(-c2cn(C[C@H](O)c3ccc(Cl)cc3Cl)nn2)c1 95580164 SOYOUZMMEFIOTL-INIZCTEOSA-N 349.221 3.568 0 1 EHAF O=C(c1ccc(-c2ccccc2)cc1)c1cccn1-c1cnn(O)c1 96282646 NMBGJSKDLRUJKV-UHFFFAOYSA-N 329.359 3.809 0 1 EHAF CC(=O)N(Cc1c[nH]cn1)c1ccc(-c2ccc(F)cc2)cc1F 96937932 MPGJKLBKGYIEDM-UHFFFAOYSA-N 327.334 3.908 0 1 EHAF CC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@H]([C@H]1c1ccccc1)[C@H]32 254005105 ALNREWIJIWNNFA-JXDTVZCFSA-N 346.430 3.514 0 1 EHAF O=C(CN1C(=O)c2ccccc2C1=O)c1coc2ccc(Cl)cc12 587276766 VEZIMRSPWBEOSO-UHFFFAOYSA-N 339.734 3.565 0 1 EHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[C@H](C)O 587859241 UEDWHUQIGGWXJJ-VIFPVBQESA-N 343.210 3.667 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)OC(F)(F)O3)O2 587381283 GHXABHGBZXFWPS-CQSZACIVSA-N 333.290 3.605 0 1 EHAF CN(C)C(=O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 586907605 NFVWKCIJQOGCLN-UHFFFAOYSA-N 333.391 3.796 0 1 EHAF COC(=O)c1cc(Cl)c2nc(-c3ccc(CN=O)cc3)[nH]c2c1 587189599 CJQCODNYYSFQFD-UHFFFAOYSA-N 329.743 3.936 0 1 EHAF COc1nc2ccccc2cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587396312 YWYFAWLNJVUKFM-SFHVURJKSA-N 334.375 3.841 0 1 EHAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cccnc1 587627502 ZHIWFVYHOGZTPJ-UHFFFAOYSA-N 328.755 3.542 0 1 EHAF COc1ccc(C=O)c(-c2nc3cc(SC)ccc3[nH]2)c1OC 587790969 DPYDOFFQUZMBQY-UHFFFAOYSA-N 328.393 3.782 0 1 EHAF CCCC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399908 MYRVHSNIYPHWMD-LIRRHRJNSA-N 333.428 3.671 0 1 EHAF N[C@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(F)cc1F 587152009 XUGUZELQKMYENX-JTQLQIEISA-N 329.137 3.591 0 1 EHAF COc1ccc(CCCc2nc3cc(Cl)ncc3[nH]2)c(OC)c1 587928283 ATTYSLQEPBGLMG-UHFFFAOYSA-N 331.803 3.804 0 1 EHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc3ncccc3c2[nH]1 587173938 CYMQFYUCISFTTP-HNNXBMFYSA-N 345.381 3.974 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(C)c1-c1ccccc1)O2 587391054 KHQSHZFWKHUOED-GOSISDBHSA-N 333.391 3.684 0 1 EHAF COc1cccc(NCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587873528 GUGBGGBUCYYMQY-UHFFFAOYSA-N 339.326 3.556 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(Br)s1)O2 587412556 IYFCOQGSLOJTNR-SNVBAGLBSA-N 339.214 3.503 0 1 EHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(CC[C@@H]2c2ccccc2Cl)N1 962918595 IQLHLZWEVHMFJF-AZOIQLNYSA-N 345.801 3.851 0 1 EHAF C[C@@]1(c2ccc3c(c2)CNCC3)c2c(F)cccc2C[C@@H]2CCCN21 963112522 TVVMYBLTQCOTHS-SIKLNZKXSA-N 336.454 3.755 0 1 EHAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(N2CCCC2)cc1 113791875 BEZMVSSLNTTXST-UHFFFAOYSA-N 344.798 3.891 0 1 EHAF CC1(C)C=Cc2c(ccc3c2OC[C@H](c2ccc(O)cc2O)C3=O)O1 13416211 SFIMWOHAIWWSQJ-OAHLLOKOSA-N 338.359 3.641 0 1 EHAF biogenic,in-vitro NCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)s1 150201631 YJLUSYSZDWUAAU-UHFFFAOYSA-N 328.418 3.636 0 1 EHAF COC[C@H](COc1cccc2cnccc12)NCc1ccc(F)cc1 169329844 PSZTXDYVUUHERL-GOSISDBHSA-N 340.398 3.558 0 1 EHAF CCCNC(=O)c1csc([C@@H](O)c2ccc(C(C)(C)C)cc2)n1 1857607262 IJGSJMUPMVEKSY-HNNXBMFYSA-N 332.469 3.662 0 1 EHAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCN1CCCCC1 12300 ZGVMTYZKQWBMHJ-UHFFFAOYSA-N 345.390 3.567 0 1 EHAF C[C@@H](Cn1c2c(c3cc(O)ccc31)CCc1ccc(O)cc1-2)N(C)C 1653359 ZLSAVKHKNQLRMA-ZDUSSCGKSA-N 336.435 3.768 0 1 EHAF CCCN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OC)[C@@H](c1ccc(SC)cc1)C2 101281388 AOCFDQDGDIOFRW-DDBAPUKQSA-N 333.497 3.928 0 1 EHAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1ccccc1Cl 100025614 WUMPEIDNOOALAD-NWCRWOLESA-N 335.787 3.761 0 1 EHAF COc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 100621234 QRFDHWZUGMOBCF-NQIIRXRSSA-N 346.430 3.898 0 1 EHAF COc1c(C(=O)CC(=O)c2ccc3c(c2)OCO3)ccc2occc12 100773889 SDJBCBKWKASUCJ-UHFFFAOYSA-N 338.315 3.626 0 1 EHAF endogenous,in-man C[C@H](Oc1ccc2ccccc2c1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28112695 BSPWAULQGAWCDN-MJRXPKLRSA-N 339.435 3.776 0 1 EHAF N[C@@H](Cc1ccc(Cl)cc1)c1csc(Nc2ncccn2)n1 61896835 VMKGMYSCBOXYLD-LBPRGKRZSA-N 331.832 3.573 0 3 EHAF CCCCC[C@@H](O)c1cn(C[C@@H]2Cc3c(C)ccc(C)c3O2)nn1 45323170 WGMGJDRLMIAGDE-MAUKXSAKSA-N 329.444 3.512 0 1 EHAF Cc1cnc(-c2cnn3c(=O)cc(-c4ccc(Cl)cc4)[nH]c23)s1 147543879 RLTZZHLVMUABCW-UHFFFAOYSA-N 342.811 3.775 0 1 EHAF COc1ccc2c(C3=NOSN3c3ccccc3)cc(=O)oc2c1 98082422 QLFQTXAZVFIZHQ-UHFFFAOYSA-N 340.360 3.563 0 1 EHAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2CCC[C@@](C)(O)[C@]21C 238761464 KGZOYCGNWWQQRH-TXECTGOBSA-N 346.423 3.892 0 1 EHAF CC1=N[C@H](CC(C)C)C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc21 473158136 VFEQYIFWTMCFSK-MRXNPFEDSA-N 330.428 3.818 0 1 EHAF CN1c2ccccc2C(=O)NN(c2ccccc2)[C@H]1c1ccc(O)cc1 299848767 PUGVXQYWAJKSPE-NRFANRHFSA-N 345.402 3.692 0 1 EHAF CCO[C@@H](CC(=O)O)c1ccc(NC(=O)c2ccccc2C)cc1 473109845 TXGLECKWAMQZFX-KRWDZBQOSA-N 327.380 3.800 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc(C(=O)O)c1)CC2=O 587465165 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348.446 3.579 0 1 EHAF Cc1ccccc1OC[C@H](O)CNCCCSc1ccccc1 169332232 VEPYPGTXSVARCB-QGZVFWFLSA-N 331.481 3.507 0 1 EHAF CC(=O)c1ccc([C@H](O)[C@@H](C(=O)N(C)c2ccccc2)C2CC2)cc1 203466904 MSHRJTJFAZEEJA-PMACEKPBSA-N 337.419 3.612 0 3 EHAF CC(C)n1c(=O)nc(-c2cccc(F)c2)c2cc3c(cc21)OCO3 2010362 XNNKONGIXZLMJM-UHFFFAOYSA-N 326.327 3.512 0 1 EHAF CCOc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1O 13648925 GFGGXDQPQWOKKD-UHFFFAOYSA-N 341.451 3.699 0 1 EHAF CC(C)OC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1 27409740 HAURTFWZAGOIQC-UHFFFAOYSA-N 329.381 3.812 0 1 EHAF O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2sc(Cl)cc2c1 34054432 GVMJSHOZXXHVNB-QGZVFWFLSA-N 348.855 3.976 0 1 EHAF CCCCNC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1F 82150476 YIQUXKLJELPJNR-UHFFFAOYSA-N 342.418 3.635 0 1 EHAF CCc1nnc(Cn2nc(-c3cccc(OC)c3)c3ccccc32)o1 95755520 TYJBNLNHBJLRSZ-UHFFFAOYSA-N 334.379 3.706 0 1 EHAF CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)C1 136401143 KUFRUMHEWLMNLW-HOLAOCEGSA-N 333.472 3.536 0 1 EHAF Clc1ccc(Nc2nn3c(-c4ccncc4)nnc3s2)cc1 299829457 KOLIMJHSZZITCH-UHFFFAOYSA-N 328.788 3.645 0 1 EHAF C[C@@H](Sc1nnc(-c2ccncc2)s1)C(=O)Nc1ccccc1 473102987 MXJGFOMATPBVBT-LLVKDONJSA-N 342.449 3.719 0 1 EHAF C(=C\c1nc2ccc(CN3CCOCC3)cc2[nH]1)\c1ccsc1 587026281 SWETTXHSYDCGJE-RQOWECAXSA-N 325.437 3.627 0 1 EHAF COc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F 587038576 AUMNURNFMTYJBR-DOTOQJQBSA-N 343.427 3.657 0 1 EHAF O=C(c1ccccc1)c1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1 587085896 MUYCQGGKBKVQGJ-UHFFFAOYSA-N 334.766 3.904 0 1 EHAF COc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)CC3)c(OC)c1 587214169 WTYCQCISPXWBKT-UHFFFAOYSA-N 348.402 3.532 0 1 EHAF Cc1cccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 587237044 LKEBGZXWTAEKGM-UHFFFAOYSA-N 345.443 3.526 0 1 EHAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccccc3[nH]2)cc1 587245745 YZYWDJQCJMPLHM-UHFFFAOYSA-N 332.363 3.702 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c4c(c1)OCO4)[C@@H](C2)C3=O 587424353 YZCNUPQZZKSDBG-APPDUMDISA-N 344.750 3.566 0 1 EHAF CCN(CC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 587430129 RKYVPHJCFBUCHL-BFUOFWGJSA-N 327.380 3.623 0 1 EHAF CCOC(=O)C[C@@]1(CC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439645 BZMRHBDZQBJUJK-VLIAUNLRSA-N 346.423 3.571 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1[nH]c4ccc(OC)cc4c1C)[C@@H](C2)C3=O 587439864 XMTUGRNPXYQUPI-BTYIYWSLSA-N 349.386 3.982 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(SCC)nc1)CC2=O 587494008 VSQVHZWWDIHFNA-INIZCTEOSA-N 344.436 3.953 0 1 EHAF O=C1CC2(CCN(CC3CC3)CC2)Oc2c1ccc1c2CCCC1 587513185 IQJCXQJYCCPCFH-UHFFFAOYSA-N 325.452 3.775 0 1 EHAF COC(=O)c1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587526216 OYCKPEZUWGSXCC-FQEVSTJZSA-N 339.391 3.561 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C[C@@H]1CCCOC1 587615335 GPBKSADKOTVIEI-KKXDTOCCSA-N 340.375 3.539 0 1 EHAF CCOC(=O)Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587778127 JWAZFMBORZFEIZ-UHFFFAOYSA-N 337.404 3.945 0 1 EHAF COc1cc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2cc1OC 587786192 DQRIFOLXDHIFJV-UHFFFAOYSA-N 328.368 3.573 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1csc(C)n1 587872557 NEUNWDPGZDNQDS-UHFFFAOYSA-N 331.372 3.541 0 1 EHAF O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccccc1Br 653852883 AMDOYSLRGVECID-HNNXBMFYSA-N 331.165 3.934 0 1 EHAF O=C(Nc1cccc(O)c1)c1c[nH]c2ncc(-c3ccc(O)cc3)cc12 1772570324 CMLCCTPKLYKIJA-UHFFFAOYSA-N 345.358 3.893 0 1 EHAF CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)O)c(F)c2)cc1 1772630315 QAAWIANKHPYHEF-UHFFFAOYSA-N 329.371 3.751 0 1 EHAF CC1=C[C@@H]2OC(=O)C(C)=C2CCC(C)=CCC[C@](C)(O)C(=O)CC1 2356330914 WFFGMWPCPCUPGU-PXNSSMCTSA-N 332.440 3.795 0 1 EHAF CC1=CCC[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@H](C)CC(=O)[C@@]13CO4 2356532197 HNNFHZJWACUQJP-DSFJHFMVSA-N 328.408 3.963 0 1 EHAF CC(=O)CC[C@H](C=C[C@](C)(O)CC=C[C@@]1(C)CCC(=O)O1)C(C)C 2356571287 NONYMPHQXUGMIU-RLLQIKCJSA-N 336.472 3.977 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(C)cc(C)c1 2356301119 REDLAXLXLHLQSW-SOLBZPMBSA-N 331.529 3.710 0 1 EHAF Cn1cccc1[C@H]1C=C(c2ccc(C(C)(C)C)cc2)Nc2ncnn21 101723195 JSNBKBGHMMUBFN-GOSISDBHSA-N 333.439 3.970 0 3 EHAF COc1cc(C[C@H](C)[C@H](C)[C@@H](O)c2ccc3c(c2)OCO3)ccc1O 14646540 ROSZLESPLNBVCZ-KQHSUYLTSA-N 344.407 3.678 0 1 EHAF biogenic COC(=O)[C@@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@H]2C)[C@H]2C=CC[C@H]21 195361097 KKBJCVBSAUGNEH-HCIFWROGSA-N 328.383 3.912 0 1 EHAF COc1cccc(Nc2nc3cc(C(N)=O)ccc3n2CC(C)C)c1 82191785 TUWGDKVNCOQMNT-UHFFFAOYSA-N 338.411 3.543 0 1 EHAF Cc1c2c(n(-c3ccc4c(N)ncnc4c3)c1C)CC(C)(C)CC2=O 43194626 ULVOSIZKLPPTGZ-UHFFFAOYSA-N 334.423 3.775 0 1 EHAF Nc1ccc(C(=O)N2CCC[C@H]3c4ccccc4C[C@@H]32)cc1Cl 96169415 GRIMNRPFOGHCAU-YJBOKZPZSA-N 326.827 3.867 0 1 EHAF CC(=O)c1cccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587384499 FSHWXUGOQFVWRD-AWEZNQCLSA-N 341.382 3.886 0 1 EHAF COc1cc(OC)c2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2c1 587072852 YJEBXYWGBYKUQE-UHFFFAOYSA-N 330.771 3.659 0 1 EHAF COc1cc(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587399829 MPTWHXHZBZSXOC-HXUWFJFHSA-N 341.407 3.783 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](CCNC(=O)OC(C)(C)C)CC2=O 587469653 JKUTVUTVGBNJGT-LBPRGKRZSA-N 349.427 3.593 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1c(C)ccc(F)c12 962961251 WRDYQUQEVMNAJB-GTJPDFRWSA-N 349.409 3.735 0 1 EHAF Cc1cc2c(C(=O)OCC34CCN(CC3)CC4)c[nH]c2cc1Cl 1772627529 VMAHGKNPLJRPKT-UHFFFAOYSA-N 332.831 3.772 0 1 EHAF Nc1n[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12 1772585255 PAUXJRUOCRBJHR-INIZCTEOSA-N 340.814 3.776 0 1 EHAF COC(=O)c1c(-c2ccc(O)cc2OC)oc2cc(OC)ccc12 13340678 FFAIKFRIUGUDRP-UHFFFAOYSA-N 328.320 3.609 0 1 EHAF endogenous,in-man FCCCN1CCC(COc2c(F)c(F)c(F)c(F)c2F)CC1 13605816 FVIXQDZGZGEDCU-UHFFFAOYSA-N 341.295 3.833 0 1 EHAF COc1cc(Cl)ccc1O[C@@H](c1cccc(C)c1)[C@@H]1CNCCO1 29049893 NUGRPPXOWJFLKG-OALUTQOASA-N 347.842 3.766 0 1 EHAF in-vitro COc1ccc(-c2csc([C@@](C)(O)c3ccc(F)c(F)c3)n2)cn1 61925946 YKUGPCBPBDAGHS-KRWDZBQOSA-N 348.374 3.748 0 3 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ccccn2)/C1=C(\O)OC1CCCC1 27561370 JJFCVEWUSIVTBM-XIGQLOAZSA-N 343.383 3.877 0 1 EHAF CC1=C[C@H]2C[C@@H]3[C@@]1(CC[C@H](C)[C@]31C[C@H](c3ccoc3)OC1=O)C(=O)O2 2356677452 DBKVXSDHPBHJOE-BVQSETNNSA-N 342.391 3.562 0 1 EHAF Cc1csc(NC(=O)c2cccc3[nH]c(-c4ccncc4)nc23)n1 71319112 HRPYMGVKSNYQSX-UHFFFAOYSA-N 335.392 3.642 0 1 EHAF COc1cc(OC)cc(C2=CCCOc3c2ccc(OC)c3O)c1 95587923 CQAABUFMIYUBAM-UHFFFAOYSA-N 328.364 3.632 0 1 EHAF COC1=C[C@H]2[C@@H](C=C1)Sc1ccccc1N2C[C@H](C)CN(C)C 96902370 WNYJOWFYNPMSRO-DKSSEZFCSA-N 330.497 3.634 0 1 EHAF Cc1c(Cc2c(F)cccc2Cl)c(=O)[nH]c2cc(O)cc(O)c12 144695275 CWOSJZKGNDUHHN-UHFFFAOYSA-N 333.746 3.631 0 1 EHAF CCCCN(C)C(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 95599999 OQBOYKQKWAMQEA-UHFFFAOYSA-N 325.334 3.968 0 3 EHAF CN(C(=O)CCCc1ccccc1)c1nc2ccccc2c(=O)s1 96905751 OJASKMBVLDNDMH-UHFFFAOYSA-N 338.432 3.642 0 1 EHAF COc1ccc(-c2cnc3sc4c(N)ncnc4c3c2)c(F)c1 299868456 RKCIEJLWQSGCEU-UHFFFAOYSA-N 326.356 3.636 0 1 EHAF C=Cn1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587583049 SZAWHIKOOLDEGQ-XLIONFOSSA-N 348.358 3.701 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)COC(C)(C)O3)O2 587413172 QKOVWDXYSOMIQN-GOSISDBHSA-N 339.391 3.929 0 1 EHAF C[C@@]1(c2cncs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616378 CSZHQAPXWGQDTP-QAPCUYQASA-N 339.372 3.726 0 1 EHAF Cc1ccc(CSCCc2nc3c(S)nc(S)nc3[nH]2)cc1 586970277 CTAONXRHDLCOCE-UHFFFAOYSA-N 348.522 3.715 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1nc4c(s1)C[C@@H](C)CC4)[C@@H](C2)C3=O 587450510 FQSFMNPITVOFEW-BMKPQVEQSA-N 341.432 3.765 0 1 EHAF C[C@@H]1SCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587619946 WDAUXWRFSNLCAO-GEWABHDNSA-N 328.389 3.618 0 1 EHAF O=C(O)c1cc(F)cc2nc(-c3csc4ccc(O)cc34)[nH]c12 587032320 HTQBJWDCXPUSQW-UHFFFAOYSA-N 328.324 3.988 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(Cn1nc(C)cc1C)CC2=O 587477910 VSRWRWRJAXEXIQ-IBGZPJMESA-N 328.412 3.582 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cccc4nc(C)oc14)[C@@H](C2)C3=O 587436149 MOCQXPVDVDDUFE-VBKZILBWSA-N 335.359 3.808 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc4cc(F)ccc4n1)[C@@H](C2)C3=O 587426626 DOHLENVFUJQWPE-XOBRGWDASA-N 335.334 3.871 0 1 EHAF O=C(O)CCOc1ccc(CCc2cc3c4c(cccc4n2)CC3)cc1 587211075 BTMSCMUBEDWFRX-UHFFFAOYSA-N 347.414 3.972 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ncccc12 587584927 CAEFSFBJVMRWEC-RXVVDRJESA-N 345.354 3.591 0 1 EHAF C[C@@]1(c2nc3c(Cl)ccnc3[nH]2)C=C(c2ccccc2F)NO1 587154635 FJPWLQLEFBKXPE-INIZCTEOSA-N 330.750 3.542 0 1 EHAF Cc1ncccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587767852 BKSGYABPQUOSBV-FVMDXXJSSA-N 335.220 3.915 0 1 EHAF O=C(Cc1nc2ccc(Br)cc2[nH]1)OCc1ccccc1 587781487 KUJVNDMGRUEDJI-UHFFFAOYSA-N 345.196 3.611 0 1 EHAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(O)cc2[nH]1)c1ccccc1 587218290 HZFRWARIXDTTQL-IBGZPJMESA-N 343.386 3.788 0 1 EHAF CCOC(=O)c1ccnc([C@@H]2N[C@@H](CC)Cc3c2[nH]c2ccccc32)c1 962956987 ZFAIXEBQZJQWAQ-XOBRGWDASA-N 349.434 3.753 0 1 EHAF COc1ccc2c(c1)[C@@H](c1c[nH]nc1-c1cccnc1)N(C(C)C)CC2 962092206 POZZVKSSCRKAGT-NRFANRHFSA-N 348.450 3.836 0 1 EHAF C[S@@](=O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1 13758994 DWWBLDHPIXBVRR-DEOSSOPVSA-N 343.427 3.520 0 1 EHAF CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N 202708393 GVXJUPVVNNATIB-QGZVFWFLSA-N 346.390 3.620 0 1 EHAF O=C(O)CO[C@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205709494 UMEOPRAACFJKEH-HNNXBMFYSA-N 337.297 3.856 0 1 EHAF Cc1cc(C)n2nc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)nc2n1 1857631703 FUBMEBBLWOMCRA-UHFFFAOYSA-N 340.390 3.951 0 1 EHAF Nc1c2c(nc3c1[C@H](c1ccc(Cl)cc1)NC(=S)N3)CCCC2 1857632798 YEFWMAZIZIXJFI-HNNXBMFYSA-N 344.871 3.585 0 1 EHAF CC(C)=CCC[C@H](C)[C@@H]1[C@H](O)CC(C)=CCC=C2C(=O)O[C@H](O)[C@]21C 2356389399 UDBMXSHEOFDSFE-KDXBWVGISA-N 348.483 3.894 0 1 EHAF COc1ccc2sc3c(c2c1)N(Cc1ccccc1)CCNC3=O 3647237 YJEIMNOXXWFTEC-UHFFFAOYSA-N 338.432 3.660 0 1 EHAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N1CCOCC1 4215553 NOUGPRYMEUDNNN-RBUKOAKNSA-N 344.455 3.559 0 1 EHAF C[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(N2C[C@@H]3C[C@@H]2CO3)c1 102235753 VSHWMVWYYBOSRP-OMKDHKIGSA-N 348.446 3.555 0 1 EHAF COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(-c3nccs3)cc1)O2 101501375 JIQLOBNPZMPPDO-QXSJWSMHSA-N 329.421 3.634 0 1 EHAF COc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1 28879037 QCKTZIBCJPYKHO-UHFFFAOYSA-N 332.359 3.869 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@H](C(C)C)C[C@@H]2[C@]1(C)O 2356437234 LZCAMMRMUKFTQK-BEUFEYIVSA-N 336.472 3.667 0 1 EHAF CC[C@H](C)Oc1ccccc1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2C 29561880 DMHVEJOTAOYRLU-HNSVSWJLSA-N 331.460 3.611 0 1 EHAF CCNC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1 27080512 BOOYJVAKBOYZCZ-UHFFFAOYSA-N 330.384 3.888 0 1 EHAF CN1CC[C@]23C1=Nc1ccccc1[C@]21CCN(C)C1=Nc1ccccc13 6010160 SNXAFBQZJGRMKH-VXKWHMMOSA-N 342.446 3.621 0 1 EHAF biogenic Cc1cc(S(N)(=O)=O)c(SCc2ccccc2)cc1Cl 45483956 FAGGTQBBAFTKFX-UHFFFAOYSA-N 327.858 3.588 0 1 EHAF COC[C@]1(O)CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 49112019 AJBJOFRUBCMSSZ-RYMRXWPBSA-N 332.484 3.896 0 1 EHAF CCCCC[C@@H]1/C=C\[C@H]2C(=O)C[C@@H](O)[C@@H]2C/C=C\CCCC(=O)O1 40631960 HZYSFMCHNGCKLZ-LVQLNCEPSA-N 334.456 3.731 0 1 EHAF CCN1CCc2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 587442973 KDDQXNAVIWHEMW-IIBYNOLFSA-N 335.403 3.566 0 1 EHAF O=C(c1cc(-c2ccco2)[nH]n1)n1nc2cc1Oc1ccc(F)cc1-2 587875764 MFKGZYXKNLDENL-UHFFFAOYSA-N 336.282 3.467 0 1 EHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1 587783779 ADEIYLSQNYVUKE-NWDGAFQWSA-N 327.771 3.555 0 1 EHAF N[C@H](N=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079390 DHJCJVJPMCXOGU-HUUCEWRRSA-N 328.759 3.616 0 1 EHAF COc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1OC 587124660 CAFPLMUPTXOYNN-UHFFFAOYSA-N 344.333 3.520 0 1 EHAF Cc1c(-c2nc3nc(Cl)c[nH]c-3n2)cnn1-c1ccc(Cl)cc1 587076302 VJPCXNBFLXIHHD-UHFFFAOYSA-N 345.193 3.772 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Oc4ccccc41)[C@@H](C2)C3=O 587457154 ZUFQEPUDCGCNQF-BTYIYWSLSA-N 336.387 3.899 0 1 EHAF CCCCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C 587440288 BPPDQMZNOQYHSQ-KKVAFCGZSA-N 330.424 3.797 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1[nH]c4nccc-4cc1Cl)[C@@H](C2)C3=O 587417284 BKWNHSOPKPWPPE-APPDUMDISA-N 340.766 3.665 0 1 EHAF N[C@]1(c2nc3ccc(Br)cc3[nH]2)C[C@H]1c1ccccc1F 587157887 VFJWEQCAEDDKDH-MEDUHNTESA-N 346.203 3.806 0 1 EHAF COC(C)(C)C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587792738 MGZHQCLTNAECCG-SKDRFNHKSA-N 330.241 3.979 0 1 EHAF COc1ccc(-c2nc3c(Cl)ncnc3[nH]2)c(C(F)(F)F)c1 587095746 TVKQZZJRCYKZDY-UHFFFAOYSA-N 328.681 3.701 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cscn1 587619318 RSJIZYNTVXJQIQ-RHSMWYFYSA-N 325.345 3.552 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc([C@H]3CCCO3)s1)O2 587412736 KMQKWFQBEZTYMU-KGLIPLIRSA-N 330.409 3.592 0 1 EHAF CC(=O)NC1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCC(C)CC1 587234804 WYDXEXJIVWPSFT-UHFFFAOYSA-N 341.242 3.806 0 1 EHAF Fc1cc(F)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 587005803 UDWSVQBAQQULBO-UHFFFAOYSA-N 345.534 3.714 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cn1)[C@@H](C2)C3=O 587424055 WUHBTIGATLWVSH-ZBEGNZNMSA-N 335.281 3.598 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ncc([C@@H](C)O)s1)CC2=O 587498103 YQHGBTPFHGGIKK-OTYXRUKQSA-N 333.409 3.561 0 1 EHAF COc1ccc([C@H]2NCCc3cccc(Cl)c32)cc1OC(C)=O 963389474 ALFXQVRMMPBLFH-GOSISDBHSA-N 331.799 3.509 0 1 EHAF COc1cc(CCc2ccc(Br)cc2)cc(OC)c1O 1857590408 JOZBHDHRTBECRY-UHFFFAOYSA-N 337.213 3.957 0 1 EHAF N[C@H](COc1cncc(-c2ccncc2)c1)Cc1c[nH]c2ccccc12 14957445 JBXZUPCBWLNUJT-SFHVURJKSA-N 344.418 3.574 0 1 EHAF Fc1ccc2[nH]c3c(c2c1)C[C@H]1c2cc4c(cc2CCN1C3)OCO4 209381350 FIVIWEWQNXBTHT-SFHVURJKSA-N 336.366 3.691 0 1 EHAF O=C(c1ccco1)N1[C@@H]2C=C[C@@H](C2)C1(C(F)(F)F)C(F)(F)F 32599 PSRKAICCOYDSSQ-JGVFFNPUSA-N 325.208 3.544 0 1 EHAF CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1Nc1cccnc1 6780393 GJAWTKJUOOGVAG-UHFFFAOYSA-N 341.436 3.790 0 1 EHAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1 103538619 RPAFKVFUJPYXMY-HNNXBMFYSA-N 342.424 3.680 0 1 EHAF Cc1cc2sn(CCN3CC4CCC(CC4)C3)c(=O)c2cc1C 29408239 QVKSHMPYUHOKOU-UHFFFAOYSA-N 330.497 3.802 0 1 EHAF CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)NC1CCCCC1 6137847 XOIADDPQMVOAEX-HOTGVXAUSA-N 336.520 3.746 0 1 EHAF biogenic CCc1cn([C@@H](c2cccc(F)c2)[C@H](O)CNC)c2ccccc12 45300091 JHNQGHUWSOJCOC-UXHICEINSA-N 326.415 3.513 0 1 EHAF CN(C)C(=O)c1coc(C(=O)CCCCCCc2ccccc2)n1 40391741 GKQXYZDHXNBGLV-UHFFFAOYSA-N 328.412 3.752 0 1 EHAF N=C1Sc2cc(-c3ccc4c(c3)OCO4)ccc2C2=NCCCN12 95575564 DLKHMOTUSRFBSX-UHFFFAOYSA-N 337.404 3.575 0 1 EHAF C/C1=C\CC(=O)[C@H](C)CC(=O)[C@H]([C@H](C)C(=O)O)[C@@H]2[C@@H](CC1)C2(C)C 238750459 OCVJELOLAGLKGF-GXHRBSCISA-N 334.456 3.890 0 1 EHAF O=C(c1ccc(Cl)c(O)c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21 96169422 ALHIQLXEDHIVKE-WBVHZDCISA-N 327.811 3.990 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 95584265 QIVOTMOKECOCJC-DAVHWALQSA-N 334.500 3.566 0 1 EHAF Fc1ccc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)cc1F 96271415 CZQWUWQVBDDAEF-UHFFFAOYSA-N 341.317 3.763 0 1 EHAF COc1cc(Cc2c[nH]c3ccc(C)cc23)c(N)c(OC)c1OC 653918453 AURXHUACLYEQFM-UHFFFAOYSA-N 326.396 3.675 0 1 EHAF O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@@H]1c1cccnc1 653663482 XRQPVXUTZFDCGK-LJQANCHMSA-N 346.386 3.827 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2OC2(C)C)N1 587831665 IQFOAZVBKCYBPD-BCSUUIJWSA-N 328.225 3.515 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cscn2)N1 587851822 CTDDDYQOGVHHGT-RTHLEPHNSA-N 341.249 3.842 0 1 EHAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc4c(c3[nH]1)CCCC4)C2 587246281 FRAYLFVBDIXCRJ-QFIPXVFZSA-N 347.462 3.793 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1CCc1ccncc1)O2 587389374 HXKFWTBZTZOZHF-HXUWFJFHSA-N 347.418 3.723 0 1 EHAF CCCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C2CC2)n1 587391551 NGYQJZKLWIOOKC-QGZVFWFLSA-N 325.412 3.768 0 1 EHAF Nc1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1N 587032725 NXTCPSMLUHPVAZ-UHFFFAOYSA-N 335.436 3.735 0 1 EHAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sn1 587616304 BOWAGHJFLOIIDG-MAUKXSAKSA-N 339.372 3.860 0 1 EHAF CCOC(=O)C(C)(C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526597 YOVPMHKYRTXOHX-FQEVSTJZSA-N 330.424 3.879 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cscn1 587619317 RSJIZYNTVXJQIQ-PBHICJAKSA-N 325.345 3.552 0 1 EHAF Nc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C(F)(F)F)c1 587095633 NTPMQOSCHIOAJR-UHFFFAOYSA-N 339.248 3.668 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC)c1N)CC2=O 587473372 SVJACBRNCHSBCU-HXUWFJFHSA-N 341.407 3.816 0 1 EHAF CCOC(=O)C[C@@]1(CCC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587399564 KTYSEZVYUZGBQZ-LJQANCHMSA-N 333.428 3.671 0 1 EHAF CCOC(=O)Cc1ccc2nc(-c3ccc(O)cc3Cl)[nH]c2c1 587053794 INKIYVFJUSEHAL-UHFFFAOYSA-N 330.771 3.695 0 1 EHAF COc1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2cc1OC 587952716 VZAMJXJLZVJZTC-IYXRBSQSSA-N 348.443 3.658 0 1 EHAF Cc1sc2c(c1C)CCN[C@@]2(c1cccs1)c1nccn1C 963016690 BWRURGSIMAAOLZ-QGZVFWFLSA-N 329.494 3.598 0 1 EHAF CN1C(=O)S/C(=C\c2cc3cc[nH]c3cc2Br)C1=O 1857546840 SKAFYYKXFDXBOK-WZUFQYTHSA-N 337.198 3.597 0 1 EHAF CCCCCCSc1nsnc1O[C@@H]1CN2CCC1CC2 13777571 QFNZGJLFACGDSQ-CYBMUJFWSA-N 327.519 3.684 0 1 EHAF O=C(/C=C/c1ccc2cc(O)ccc2c1)NC1=C(C(=O)O)CCCC1 169332048 AVNBEASMPPWLBU-UXBLZVDNSA-N 337.375 3.588 0 1 EHAF FC(F)(F)c1ccc(Nc2cc3nc([C@@H]4CCOC4)[nH]c3cn2)nc1 1857638913 YYCJASULUSNMOZ-SECBINFHSA-N 349.316 3.619 0 1 EHAF Cc1ccccc1[C@]1(O)CC(C(F)(F)F)=NN1C(=O)c1ccccc1 1857753048 QTDLSTSBOLABPS-QGZVFWFLSA-N 348.324 3.605 0 1 EHAF COc1cc(O)c(C(=O)c2cccc(O)c2CC=C(C)C)c(O)c1 3630056 PPLJPJXZLUVDGT-UHFFFAOYSA-N 328.364 3.552 0 1 EHAF biogenic,in-vitro CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c([C@@H](C)CC)nc3n2)C1 3955130 KOLXOSRVQZHDQO-MJBXVCDLSA-N 328.460 3.847 0 1 EHAF C[C@@H]1O[C@H](c2ccc(Cl)cc2)OC[C@H]1NC(=O)c1ccccc1 28826482 LBYUXBNZVNHBRV-BJOOFOGMSA-N 331.799 3.573 0 1 EHAF COc1ccc(CNc2ncnc3[nH]c(-c4ccccc4)nc23)cc1 58502113 PTRFFQXXSUISIA-UHFFFAOYSA-N 331.379 3.641 0 1 EHAF C[C@@H]1O[C@@H](c2ccc(Cl)cc2)OC[C@H]1NC(=O)c1ccccc1 28826416 LBYUXBNZVNHBRV-XZOAIXRZSA-N 331.799 3.573 0 1 EHAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2[C@H](OC)C[C@]2(C)C(=O)CCC[C@@H]12 2356381967 HZJBJVDHAZGTAN-BLTQFHMMSA-N 344.451 3.841 0 1 EHAF CC1=C[C@H](CNC(=O)c2ccc(F)cc2)[C@H](C(C)C)C[C@H]1CC(=O)O 2356507199 QHQXYXKIJNPWST-JZXOWHBKSA-N 347.430 3.885 0 1 EHAF Cc1ccc(Nc2nc3nonc3nc2NC(C)(C)C)cc1Cl 75279874 OQUMMPDFOPZZII-UHFFFAOYSA-N 332.795 3.929 0 1 EHAF Cc1nc(C)c(CN(Cc2nc(C)c(C)nc2C)C(C)(C)C)nc1C 84652008 ZWTPGNRVKJOGJE-UHFFFAOYSA-N 341.503 3.918 0 1 EHAF COc1ccc(OC)c(-c2cc(NCc3ccc(F)cc3)ncn2)c1 82160807 UKEMEBBABWRFTO-UHFFFAOYSA-N 339.370 3.912 0 1 EHAF COC(=O)Nc1ccc2occ(CCNC(=O)c3ccccc3)c2c1 40845699 YNHBPUMTCUKQHD-UHFFFAOYSA-N 338.363 3.584 0 1 EHAF COc1ccc(CNc2cc(-c3ccc(F)cc3)ncn2)cc1OC 82161214 TXBBMYZHXKLETL-UHFFFAOYSA-N 339.370 3.912 0 1 EHAF O=C(O)c1cc(C(=O)c2ccc(Br)cc2)n2ccccc12 299819306 BSUFBBVCMRAQDK-UHFFFAOYSA-N 344.164 3.631 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn([C@H](C)OCC)c1)CC2=O 587479082 YGUQZKNXWONHRH-KPZWWZAWSA-N 344.411 3.803 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc4cnccc4nc1C)[C@@H](C2)C3=O 587435968 KZGDRLCPTQYLPT-HRAATJIYSA-N 346.386 3.610 0 1 EHAF O=C1CCC[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 586883228 AEPKKIQDPFDGSU-SSDOTTSWSA-N 342.624 3.991 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)ccc(F)c1F)[C@@H](C2)C3=O 587426846 QNVXWZJCNFLPEX-XTZNXHDOSA-N 334.293 3.775 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)O)cs1)CC2=O 587494509 MDSKHQCNGZMJLH-CQSZACIVSA-N 332.377 3.811 0 1 EHAF COC(=O)[C@@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587098931 VYEYEMNOMRGXBO-OAHLLOKOSA-N 343.382 3.957 0 1 EHAF COc1cccc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587385089 LRFXRUQDEACFIX-CYBMUJFWSA-N 329.371 3.692 0 1 EHAF Cc1ccc2c3c(cc(Cn4cccn4)nc13)-c1ccccc1C2=O 587096198 FKTRJYZDDATOOB-UHFFFAOYSA-N 325.371 3.999 0 1 EHAF O=C(O)CCc1nc2cccc3c2c(c1CC(=O)c1ccccc1)CC3 587214984 HFELJIUCJHTRDN-UHFFFAOYSA-N 345.398 3.776 0 1 EHAF CC(=O)c1c(C)[nH]c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587397588 XZGVIUWWXSFGQT-IBGZPJMESA-N 326.396 3.605 0 1 EHAF CC1(C)CC[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 587619605 YIPZJEPOZDUNJN-GPMSIDNRSA-N 340.375 3.680 0 1 EHAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 587249833 NXJCSEZYHULOSG-UHFFFAOYSA-N 336.178 3.741 0 1 EHAF O=C1C[C@@](c2ccncc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 587528346 XQEKPVXUMQDDHO-OAQYLSRUSA-N 345.402 3.593 0 1 EHAF O=C(O)c1cc(F)cc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1 963113279 QOQCZRNTKIYDCV-WMZOPIPTSA-N 329.346 3.773 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@@H]3CCC1CCOCC1 963062429 CSSXBYNQKSRBMA-QGZVFWFLSA-N 326.440 3.637 0 1 EHAF S=C(NCCc1nc(-c2ccccc2)cs1)N1CCCCC1 1772590343 DLMLYYLKPBMWLK-UHFFFAOYSA-N 331.510 3.713 0 1 EHAF NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 13532347 GIZYPGRXWUVSHP-CZTZKLFOSA-N 338.495 3.644 0 1 EHAF CCC(=O)Nc1ccccc1S[C@@H](CC(=O)O)c1cccnc1 13589266 XDRKIJOIWIDLCP-HNNXBMFYSA-N 330.409 3.738 0 1 EHAF Cc1ccc(CSCCNC(=O)c2ccc3c[nH]nc3c2)cc1 1857598260 HXAXBLRKUUFLIJ-UHFFFAOYSA-N 325.437 3.535 0 1 EHAF Oc1ccccc1C1=N[C@H](Cc2cnc[nH]2)[C@H](c2ccccc2)S1 1857638926 BDLSNMGOWYNTSL-AEFFLSMTSA-N 335.432 3.961 0 1 EHAF COc1ccc(Nc2cc(NC(=O)c3ccc(F)cc3)ncn2)cc1 1857650825 MXZWGUGIDCWSOU-UHFFFAOYSA-N 338.342 3.620 0 1 EHAF CN(CCO)c1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 6379141 VDJWWYRYKMXMKA-UHFFFAOYSA-N 345.402 3.985 0 1 EHAF in-vivo CCOC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C(F)(F)F 21527951 DIWQSRSFGLIKBL-UHFFFAOYSA-N 349.312 3.900 0 1 EHAF CSc1ccc(CN2C(=O)[C@@H](C)Oc3c(C(C)=O)cccc32)cc1 61902891 YJBHPWLPNZZXIY-CYBMUJFWSA-N 341.432 3.925 0 3 EHAF CC(=O)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 28958796 JMXZXNIPWSYUEB-UHFFFAOYSA-N 343.390 3.606 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@](C)(O)[C@@]12C 2356604903 KGZOYCGNWWQQRH-YXHXOZEPSA-N 346.423 3.892 0 1 EHAF COc1cccc(CSc2ccc(C(=O)O)cc2[N+](=O)[O-])c1OC 34855333 UUFQVYUYUBRCJS-UHFFFAOYSA-N 349.364 3.603 0 1 EHAF CCS(=O)(=O)c1ccc2c(c1)nc(CC(C)(C)C)n2CC1CC1 35857788 IAJXCUDLAWNZSP-UHFFFAOYSA-N 334.485 3.829 0 1 EHAF COc1ccc([C@@H]2CCc3c(OC)cc(OC)cc3O2)c(OC)c1 14727906 PMRQWIMUVQIZNP-INIZCTEOSA-N 330.380 3.787 0 1 EHAF biogenic COCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc(F)cc2)n1 82165023 XZDFQAOYZJBLAL-UHFFFAOYSA-N 342.374 3.613 0 1 EHAF CN(C)C12CC(=O)NC([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 40577050 VBLXFIUIBZBCFM-RVEPMOMFSA-N 334.463 3.537 0 1 EHAF NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NC1CCCCC1 40873416 KAVDYGLQJSKSIM-UHFFFAOYSA-N 343.452 3.968 0 1 EHAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 238756095 KKKOTCYOROYVJG-DBFFTCESSA-N 334.500 3.566 0 1 EHAF COc1ccc(-c2ccc(-c3nc4cncnc4[nH]3)c(F)c2)c(F)c1 587151820 IYAJPGCVQPJMJU-UHFFFAOYSA-N 338.317 3.974 0 1 EHAF COc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1Cl 587161751 CFKYBNDABDZFBI-UHFFFAOYSA-N 347.777 3.935 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)c1N)O2 587377862 PHYHDUPWGCIPEV-AWEZNQCLSA-N 347.212 3.628 0 1 EHAF FC(F)(F)C(F)(F)c1cc2nc(CCOCC3CC3)[nH]c2cn1 587785042 XUNXWPUGQKUJQJ-UHFFFAOYSA-N 335.276 3.581 0 1 EHAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)ncc2[nH]1 587116197 SQAMJALCJKZNFM-UHFFFAOYSA-N 336.104 3.684 0 1 EHAF Cc1ccnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587767837 BIMXRQWBYPMJNU-QFYYESIMSA-N 335.220 3.915 0 1 EHAF Fc1cccc([C@H]2C[C@H]2c2nc3cc4c(cc3[nH]2)OCCO4)c1F 587151271 GXITYQSKFOEZDC-GHMZBOCLSA-N 328.318 3.883 0 1 EHAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(O)ncnc3[nH]2)c1 586882339 OFKHQAJHRKGFID-UHFFFAOYSA-N 344.374 3.573 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(O)CCCC2)N1 587823727 VVVNXBDPQOTONP-MEBBXXQBSA-N 342.252 3.643 0 1 EHAF Cc1cncc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587204839 MKLZYMADPWWXTQ-ZDUSSCGKSA-N 332.448 3.748 0 1 EHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1nccc1C 587623363 QZSAUNLQAGSCGJ-UHFFFAOYSA-N 330.189 3.609 0 1 EHAF Cc1ccnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587770400 JHAQRDQYRUXYLK-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF Cc1cccc(NC(=O)Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c1C 587239573 SWFVIMOYVZRXJQ-UHFFFAOYSA-N 348.328 3.775 0 1 EHAF COc1c(F)cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1F 587134277 DYXHFBACSFSVMQ-UHFFFAOYSA-N 329.228 3.931 0 1 EHAF C[C@@H]1CSC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587855804 GVONOJWPJCDFDR-RFXMVYNHSA-N 330.266 3.701 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4nc(C)no4)c1)[C@@H](C2)C3=O 587440024 YIDMLVZCGXMRCS-KXBFYZLASA-N 348.358 3.542 0 1 EHAF CC(C)Oc1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 587051869 GAYVOVZONCCEHL-CQSZACIVSA-N 345.830 3.952 0 1 EHAF C[C@]1([C@@H]2CC[C@H](N)C2)c2cccc(F)c2CCN1[C@H]1CCSC1 962693334 BMQJSSAJTGJAMC-QZNHQWIBSA-N 334.504 3.532 0 1 EHAF CCOC(=O)c1sc(-c2ccncc2)nc1-c1ccccc1O 169338437 FNCMAGGUPYWCJI-UHFFFAOYSA-N 326.377 3.754 0 1 EHAF CC/C=C/C/C=C/C[C@@H](O)/C=C/C=C/C=C/[C@H](O)CCCC(=O)O 4556782 BISQPGCQOHLHQK-QEGBBRPWSA-N 334.456 3.934 0 1 EHAF C[C@@H](O)CNc1cc(N2CCc3ccccc3C2)nc2ccccc12 1857745796 YKSLPHFCCBDTEM-OAHLLOKOSA-N 333.435 3.590 0 1 EHAF Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@H](C)C(=O)O)cc2)c1 27526183 DJOLXKNVIMVTDH-GFCCVEGCSA-N 347.798 3.682 0 1 EHAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccccc1 775621 UILMIPTUMLFLRY-HIFRSBDPSA-N 344.455 3.776 0 1 EHAF CCCN(CCC)CCSc1n[nH]c2c3ccccc3nc-2n1 6380159 UABGXNVINFUFCE-UHFFFAOYSA-N 329.473 3.672 0 1 EHAF O=C1CCC(=O)N1c1cccc(OCc2nc3ccccc3s2)c1 27325684 XIGJVCFAJHGXOL-UHFFFAOYSA-N 338.388 3.529 0 1 EHAF O=c1sc2cc(CCC[18F])ccc2n1CCN1CCCCCC1 103069520 DNGYIBDXSUNKMV-AWDFDDCISA-N 335.479 3.841 0 1 EHAF NC(=O)c1cc(Cl)ccc1NC(=O)/C=C/c1ccccc1Cl 72170811 QLTTYSBMZWJDNI-VMPITWQZSA-N 335.190 3.744 0 1 EHAF CCOC(=O)c1[nH]c(C)c(Cc2ccc(C(F)(F)F)cn2)c1C 1911571017 FNUSTFZUGSYHQN-UHFFFAOYSA-N 326.318 3.813 0 1 EHAF CC(=O)Oc1cc(-c2c(C)noc2C)cc([C@@H](O)c2ccccc2)c1 95587757 BLNKHZBHJDYSGF-FQEVSTJZSA-N 337.375 3.965 0 1 EHAF in-vitro O=C(O)/C=C/c1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 586879906 OGTISILSHMNFHX-AATRIKPKSA-N 333.269 3.742 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CC(=O)[C@H]3C1 586990101 JDCVSNPBIFVXQX-JOYOIKCWSA-N 327.339 3.696 0 1 EHAF FC(F)(F)c1ncc2nc(CCc3cc4ccccc4o3)nc-2[nH]1 586904188 SFTCFPCIXLUTAQ-UHFFFAOYSA-N 332.285 3.855 0 1 EHAF Clc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 587040947 KDBDJXFYUSKEHX-HIFRSBDPSA-N 330.844 3.558 0 1 EHAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)s1 587014863 RXAHSMTWAZSXOP-QMMMGPOBSA-N 349.387 3.930 0 1 EHAF Cc1ccc(C(=O)Cc2nc3cccc4c3c(c2CCO)CC4)cc1 587215843 VYEHKJLMWWPVLJ-UHFFFAOYSA-N 331.415 3.602 0 1 EHAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(C)cc3[nH]2)c1 586929923 DFLZKNPGPHVGSQ-UHFFFAOYSA-N 343.452 3.569 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3n[nH]c(C)c3c1)CC2=O 587486714 SVYHAAHAEPFUQS-QGZVFWFLSA-N 337.379 3.631 0 1 EHAF C=Cc1nc(C)c([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)[nH]1 587482461 JBRDHOWFYNBZBC-IBGZPJMESA-N 326.396 3.900 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CC)(C1(C(=O)OC)CCC1)CC2=O 587476307 BDORLTNEDSDMJM-HXUWFJFHSA-N 346.423 3.802 0 1 EHAF COc1ccc(NC(C)(C)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 587201319 KEUNTLHIRCUZFX-UHFFFAOYSA-N 343.358 3.756 0 1 EHAF C[C@]1([C@H]2CCCOC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962718152 RLPBEKOOGMDHIM-DOXZYTNZSA-N 335.488 3.831 0 1 EHAF Cc1c(O)nc(=O)n(COCc2ccccc2)c1CC1CCCCC1 1772656588 KFINZMUERVZZOY-UHFFFAOYSA-N 342.439 3.554 0 1 EHAF CCC1=C(c2cc(OC)c(OC)c(OC)c2)C2(CCCC2)C(=O)O1 15934032 RNBFIQHXMQOFBV-UHFFFAOYSA-N 332.396 3.951 0 3 EHAF Cc1cnccc1NC(=O)c1ccc2nc(N3CCCC3)sc2c1 169302620 BRUMTLVUMKJUKF-UHFFFAOYSA-N 338.436 3.852 0 1 EHAF C[C@@H](c1cc(OC(=O)N2CCCCC2)c2ncccc2c1)N(C)C 1857553307 HXTXWUVDAWFWLW-AWEZNQCLSA-N 327.428 3.842 0 1 EHAF CN1CC[C@H](N)C[C@H]1c1ccc(-c2ccc(N)c3ccccc23)cn1 1857582302 PTTVKVSHEDWRHI-BTYIYWSLSA-N 332.451 3.578 0 1 EHAF Cc1[nH][nH]c(=NC(=O)c2ccccn2)c1-c1ccc(Cl)c(Cl)c1 1857649559 HBJKUJXDSAMGCN-UHFFFAOYSA-N 347.205 3.761 0 1 EHAF CON1CC/C(=C\c2cc(C(C)(C)C)c3c(c2)C(C)(C)CO3)C1=O 22167 FQRPLYFUCLKKGT-NTEUORMPSA-N 329.440 3.831 0 1 EHAF Cc1cccc(-c2noc([C@@H]3CCCCN3C(=O)C3CCC3)n2)c1 324446 LGGQAFOBZFUFIL-INIZCTEOSA-N 325.412 3.899 0 1 EHAF CN1CCCN([C@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 58492651 MTLBWLDYHWAFEN-INIZCTEOSA-N 347.915 3.985 0 1 EHAF C[C@]1(c2cccc(O)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O 28978477 MUALJDCOWOWPTA-MRXNPFEDSA-N 336.174 3.792 0 1 EHAF CNc1nc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)c[nH]1 103258680 UMBIDIUNTWEHKV-UHFFFAOYSA-N 331.379 3.852 0 1 EHAF Fc1ccc(-c2nc(Cc3ccccc3)nc3c2CCCNC3)cc1 29126470 AJBWPHMWHDLIKZ-UHFFFAOYSA-N 333.410 3.909 0 1 EHAF CC1(C)OC[C@H](NC(=O)Nc2ccccc2F)[C@H](c2ccccc2)O1 28361483 UHXQUDXPVYMGJP-IRXDYDNUSA-N 344.386 3.840 0 1 EHAF Cc1cnc2c(c1)c1cc(C(=O)O)nc(Cc3ccccc3)c1n2C 28867943 FAUBYEVABADVOV-UHFFFAOYSA-N 331.375 3.719 0 1 EHAF COc1cc2c(cc1C(C)C)CC[C@@H]1C(C)(C)CC[C@@H](O)[C@@]1(O)C2 2356767527 DFSWPBVFNRYKAI-SFHLNBCPSA-N 332.484 3.836 0 1 EHAF CC(C)(CCCOc1ccc(-n2nc3ccccc3n2)cc1)C(=O)O 222632570 ARWNEOCIVDVVNN-UHFFFAOYSA-N 339.395 3.690 0 1 EHAF O=C(c1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12 49016530 NJLNJHCKQVRQDL-UHFFFAOYSA-N 346.415 3.929 0 1 EHAF CCCC[C@H](O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCCC(=O)O 221354984 WPOLTPVJJIKMPU-INIZCTEOSA-N 347.411 3.805 0 1 EHAF CCN(CC)C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144695647 COKKTESLQZWOJZ-SFHVURJKSA-N 349.352 3.947 0 1 EHAF Cc1cccc(NC(=O)c2nn(C)c(-c3ccc(F)c(F)c3)c2C)n1 95602574 ASDDLGURTBAWBW-UHFFFAOYSA-N 342.349 3.629 0 1 EHAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@@H]3CC[C@@]12C 253712458 VQISOTOPDCGBAH-YXXLGUNYSA-N 349.515 3.924 0 1 EHAF CCc1ccc2oc(C(=O)N=c3nc(C(C)C)[nH]s3)c(C)c2c1 621485644 CWGYNAIOBGJPDJ-UHFFFAOYSA-N 329.425 3.953 0 1 EHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccn1)[C@@H](C2)C3=O 587434856 BNELHYWHFKRJDX-HTAPYJJXSA-N 343.382 3.781 0 1 EHAF COc1cc(C)ccc1-c1nc2c(F)cnc(Br)c2[nH]1 587924675 ACYPNQWHJAFGMG-UHFFFAOYSA-N 336.164 3.844 0 1 EHAF Oc1nc(O)c2ccc(-c3ccc(CCc4ccccc4)cc3)nc2n1 587561645 TYBUCIYGXVHKIO-UHFFFAOYSA-N 343.386 3.888 0 1 EHAF N[C@@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@H]1c1ccccc1F 587156723 PHXVTKMFETZXJR-AYVTZFPOSA-N 337.185 3.745 0 1 EHAF C[C@H](Oc1ccc2ccccc2c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587951516 NFMBBSBIMZBBMJ-VIFPVBQESA-N 339.786 3.664 0 1 EHAF C[C@@]1(c2nc3cc(F)c(F)cc3[nH]2)C=C(c2ccccc2F)NO1 587156626 OIZZUGPRQRJOHT-KRWDZBQOSA-N 331.297 3.771 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc[nH]c12 587592953 ZPOXMFNHEOXHSH-UTKZUKDTSA-N 347.370 3.914 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3)s1)O2 587411785 VRDFIQIGTAYVGZ-OAHLLOKOSA-N 328.437 3.945 0 1 EHAF Oc1c(F)cc(F)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587134308 MAGMRKSDLBWHMR-UHFFFAOYSA-N 330.269 3.539 0 1 EHAF Cc1c(-c2ccccc2OCC(=O)N(C)C)nc2cccc3c2c1CC3 587212427 IZSVMTOBKVQDPJ-UHFFFAOYSA-N 346.430 3.776 0 1 EHAF CCn1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C(F)(F)F 587384168 YFHPUGZPKCOQHI-CYBMUJFWSA-N 339.317 3.519 0 1 EHAF CCc1cc(O)nc(SCc2nc3ccc(Cl)c(C)c3[nH]2)n1 586966980 QROYXDKEYYEUAO-UHFFFAOYSA-N 334.832 3.875 0 1 EHAF CC(C)[C@]1(Cn2cncn2)NCCc2cccc(-c3ccccc3)c21 962659144 ARVFBMABYPJOLR-NRFANRHFSA-N 332.451 3.642 0 1 EHAF CSc1nc(N2CCCC2)c2ccn(Cc3ccc(F)cc3)c2n1 1772605385 BBTSLIHTQGHZBD-UHFFFAOYSA-N 342.443 3.941 0 1 EHAF CCOc1ccccc1OC[C@H]1CN(Cc2ccc(F)cc2)CCO1 13579668 SWIAKCKADZHKFN-GOSISDBHSA-N 345.414 3.504 0 1 EHAF FC(F)(F)CCCSc1nsnc1[C@@H]1CN2CCC[C@@H]1C2 13605375 QROOTTZWVVRLNV-NXEZZACHSA-N 337.436 3.782 0 1 EHAF CC1=Nc2[nH]ncc2[C@@H](c2ccco2)[C@H]1C(=O)Nc1ccc(F)cc1 169724318 VSMLWNDXDGJMSS-HOTGVXAUSA-N 338.342 3.635 0 1 EHAF O=C(O)CCCCCCCCCCCNn1nnc2ccccc21 1857534894 BJNYIAIVHVKNLU-UHFFFAOYSA-N 332.448 3.960 0 1 EHAF CCCS(=O)(=O)NC[C@@H](C)c1ccc(-c2ccccc2F)cc1 13835046 QTWVFESTJNYHEH-CQSZACIVSA-N 335.444 3.926 0 1 EHAF C[C@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 23169 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CCCCS(=O)(=O)N[C@H](c1nc2ccc(CC)cc2[nH]1)C(C)C 586933493 SXCJDNTXRLRAGU-INIZCTEOSA-N 337.489 3.542 0 1 EHAF CCn1nc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587392950 YCJQZVNSNBGAJO-CQSZACIVSA-N 349.434 3.913 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587425009 ZZBJWPVXKMZPMN-IFXJQAMLSA-N 346.329 3.959 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3nnc(C)o3)cc1)O2 587395583 RSPORZHXABCWNN-QGZVFWFLSA-N 335.363 3.642 0 1 EHAF Cc1ccnc2c1CCN[C@H]2c1cnc(CCc2ccccc2)s1 963071418 RTDWGDBIFQQXSH-FQEVSTJZSA-N 335.476 3.867 0 1 EHAF CN1CCN(Cc2c(-c3ccccc3)[nH]c3ccnc(Cl)c23)CC1 1772638175 LYRSTPAFHXIYPV-UHFFFAOYSA-N 340.858 3.631 0 1 EHAF COC(=O)[C@@H]1[C@H](O)CCC2=C(CC(=O)c3ccoc3)[C@H](C)CC[C@]21C 5839435 WXNQCEUSWTUPDX-RMPJWLMTSA-N 346.423 3.529 0 1 EHAF COc1ccccc1[C@@H]1N(c2cccc([S@](C)=O)c2)C(=O)C1(C)C 169324206 ZTBZNYXBYUHKDP-XDHUDOTRSA-N 343.448 3.547 0 1 EHAF CN(C)CCCCN1C(=O)/C(=C/c2ccccc2)Oc2ccccc21 169324482 MHVXBSLKZRLXJS-SILNSSARSA-N 336.435 3.795 0 1 EHAF CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C 12493646 QPLFSAZMHUAMKE-MMIDEKFVSA-N 334.500 3.710 0 1 EHAF O[C@@]1(c2ccc(-c3ccccc3F)cc2)CN2CCCC[C@H]2CO1 58522957 DBVDXUCLXQNGAT-PXNSSMCTSA-N 327.399 3.523 0 1 EHAF Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1ccccc1Cl 103189932 INMSNDAHAQBGQC-UHFFFAOYSA-N 348.708 3.697 0 1 EHAF CCCc1c(OCc2ccc(C(=O)O)cc2F)ccc(C(C)=O)c1O 27883400 ODQDUWUBFVPBNX-UHFFFAOYSA-N 346.354 3.964 0 1 EHAF COc1cc([C@@H]2Oc3c(O)ccc(C(C)=O)c3[C@@H]2C)cc(OC)c1O 2356417917 QJCUODNUWZTFOT-NIVTXAMTSA-N 344.363 3.555 0 1 EHAF Cc1cc(C)nc(N(CCCN(C(C)C)C(C)C)C(=O)N(C)C)c1 27622694 ZMKAPPJWBBBPOL-UHFFFAOYSA-N 334.508 3.695 0 1 EHAF CC(C)CNC(=O)c1cc(-c2cc(F)c(Cl)cc2Cl)n[nH]1 64726009 HZTDIPNZSHIKPT-UHFFFAOYSA-N 330.190 3.908 0 1 EHAF CNCC[C@@H](c1ccccc1)n1c(=O)n(C(C)C)c2cccc(F)c21 34986559 XCYJTWMYHQVABH-KRWDZBQOSA-N 341.430 3.722 0 1 EHAF CCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(C)c12 210765699 LEGDDCSWKTYXAP-LLVKDONJSA-N 338.415 3.581 0 1 EHAF COc1ccc2nc(-n3[nH]c4c(c3=O)-c3ccccc3CC4)sc2c1 73219474 RZLGGSYTGLQPKN-UHFFFAOYSA-N 349.415 3.550 0 1 EHAF O=C(O)c1cc(N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)n[nH]1 43059906 POAUIJDZKIBLGX-UHFFFAOYSA-N 343.333 3.593 0 1 EHAF Clc1ncnc2c1ncn2[C@@H]1C[C@H]2C[C@H](Oc3ccccc3)[C@@H]1C2 84602643 MCYDFDBMYIGSQN-MYPMTAMASA-N 340.814 3.898 0 1 EHAF O=C(Nc1ccncc1)Nc1cccc(NC(=O)Nc2ccncc2)c1 45302801 HILDIPJEKAOBQV-UHFFFAOYSA-N 348.366 3.765 0 1 EHAF NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3ccc4cn[nH]c4c3)cc2)CC1 220403075 YZUHPMZFIGGUPF-PELUFGRGSA-N 346.478 3.945 0 1 EHAF NCCNc1nc(-c2ccncc2)nc2cc(-c3ccccc3)sc12 223686819 XQXKRZOOAYZRRH-UHFFFAOYSA-N 347.447 3.791 0 1 EHAF Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NC3CCCCC3)c2)o1 95553983 FRIRMBNZNAXCNN-UHFFFAOYSA-N 342.395 3.775 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587419650 HMHJKBDUIXJSJT-ZUZCIYMTSA-N 336.174 3.886 0 1 EHAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(N)c(N)cc2[nH]1 587068907 FRXKCTYWLBNWQA-SECBINFHSA-N 328.803 3.757 0 1 EHAF 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CN1CCN(c2cnc3cc(Cl)cc(-c4ccccc4)c3n2)CC1 40861984 DGHFAJBYVDNLOO-UHFFFAOYSA-N 338.842 3.702 0 1 EHAF Cc1nc2cc(Cl)ccc2n1-c1ccc(C(=O)NC2CC2)s1 84602908 QOOWBQNDIMAUDB-UHFFFAOYSA-N 331.828 3.941 0 1 EHAF COCCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2C)n1 82177149 RQZVFTGQDBLVDG-UHFFFAOYSA-N 338.411 3.864 0 1 EHAF COc1ccc(-c2c3c(nc4ncn5ncnc5c24)[C@H](C)CCC3)cc1 96906364 FBZAZMGVGZREJO-GFCCVEGCSA-N 345.406 3.788 0 1 EHAF CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255226636 LKQDFQLSEHWIRK-JRINFJIASA-N 334.500 3.710 0 1 EHAF COc1ccc(CCCNc2ccc(CN3CCCCC3)cc2)nn1 473110520 WNWAYKVHLHKOTN-UHFFFAOYSA-N 340.471 3.516 0 1 EHAF CCCc1c(O)ccc2c1OC1(CCC(OC(C)=O)CC1)CC2=O 587478902 KUQZGIVDPLAFMR-UHFFFAOYSA-N 332.396 3.554 0 1 EHAF CCCCCOc1cc2nc(C[C@H](C)O)[nH]c2cc1Br 586889215 JZBFSEGJVSSDEW-JTQLQIEISA-N 341.249 3.818 0 1 EHAF OCc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587115992 ILBGLFACRXFTRL-UHFFFAOYSA-N 344.296 3.684 0 1 EHAF O=C(c1coc2ccc(Cl)cc12)[C@@H]1CCCN1C(=O)C(F)(F)F 587279115 WKUGBNNKBJBPEZ-NSHDSACASA-N 345.704 3.822 0 1 EHAF COc1cc(C2(c3nc4cc5c(cc4[nH]3)NC(=O)CC5)CC2)ccc1C 587927631 UMQRIOYLJSETAC-UHFFFAOYSA-N 347.418 3.845 0 1 EHAF Cc1cccc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 587388265 ZIPLFACYUCHFTF-MHNQQFQPSA-N 336.435 3.822 0 1 EHAF Oc1nc(O)c2ccc(Cc3ccc(-c4ccccc4)cc3)nc2n1 587561008 JSBNMKYTSXJSJO-UHFFFAOYSA-N 329.359 3.694 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)c1O)O2 587378620 WHWZFSYCXYBLGX-AWEZNQCLSA-N 348.196 3.752 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1O)O2 587377456 MQBANFIPMSAGMC-OAHLLOKOSA-N 348.196 3.752 0 1 EHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(F)c(OC)cc3[nH]2)cc1 587785344 NELSTXAYNDPYDX-QWHCGFSZSA-N 340.354 3.654 0 1 EHAF COc1cc(-c2nc3ccnc(Cl)c3[nH]2)nn1-c1ccccc1F 587157086 VKRRESASGZFHSS-UHFFFAOYSA-N 343.749 3.612 0 1 EHAF Cc1csc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587614473 SQCMJZHHNVEBFK-WMLDXEAASA-N 339.372 3.860 0 1 EHAF Nc1c(F)cc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1F 587134569 JSDTZCISGMHVEV-UHFFFAOYSA-N 340.127 3.558 0 1 EHAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc4ncccc4c3[nH]2)cc1 587938123 SRSLUOXSPAUQAR-BUXKBTBVSA-N 333.391 3.957 0 1 EHAF Oc1ncnc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc12 587124223 JNYAZRJCCZSTMR-ZZXKWVIFSA-N 338.314 3.841 0 1 EHAF Cc1cc2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc2c(C)n1 587233430 PCMCQJOBAGLXSL-STQMWFEESA-N 330.432 3.736 0 1 EHAF Cc1ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1C 587194230 OMCCHXAIKATQJD-OAHLLOKOSA-N 346.475 3.697 0 1 EHAF CC1=C[C@H]2OC(=O)C(C)=C2CCC(C)=CCC[C@@](C)(O)C(=O)CC1 2356330918 WFFGMWPCPCUPGU-YLJYHZDGSA-N 332.440 3.795 0 1 EHAF COCCCNC(=O)N[C@@H](C)c1c(-n2cccc2)sc(C)c1C 6750426 XLKBJBIROWDKQS-ZDUSSCGKSA-N 335.473 3.552 0 1 EHAF Cc1ccc(C)c(Cn2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)c1 8605833 NHEXKCYDALAICP-UHFFFAOYSA-N 349.356 3.727 0 1 EHAF Cc1ccccc1NC(=O)c1ccccc1Cn1ccc2ncnc-2c1 100062153 HJOSDUGIQGXUKT-UHFFFAOYSA-N 342.402 3.992 0 1 EHAF CC(C)N(C(=O)c1ccc(CC[C@@H]2CCC(=O)N(C)C2)cc1)C(C)C 28758123 VTCCPULQRYTEKR-GOSISDBHSA-N 344.499 3.747 0 1 EHAF COc1cccc(Nc2nc([C@H](N)c3ccccc3Cl)cs2)n1 61928393 VIFRSAKSBZMSJF-OAHLLOKOSA-N 346.843 3.992 0 3 EHAF O=S(=O)(c1ccc(O)cc1)N(c1ccccc1)c1ccccc1 28570784 KLZORRIEDRGOHR-UHFFFAOYSA-N 325.389 3.919 0 1 EHAF in-vivo COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2C)ccc1O 2356421890 YMJZBBKFFDVLLB-BLVKFPJESA-N 344.407 3.572 0 1 EHAF CC[C@H](c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 28885775 FBOHFXXSWQUWPF-HXUWFJFHSA-N 349.478 3.566 0 1 EHAF COc1ccc([C@@](C)(O)c2nc(-n3cccc3)nc3ccccc23)cc1 1911573328 QGJZZBKKPIVLCA-OAQYLSRUSA-N 345.402 3.685 0 1 EHAF O=C1O[C@]2(Oc3cc(-c4ccccc4)ccc3C2=O)c2ccccc21 95590106 ZXOWRLPEPGISGG-OAQYLSRUSA-N 328.323 3.952 0 1 EHAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]23CO[C@@](C)(O)[C@H]2CC[C@@H]13 98054852 OPBWRTJTMOOQDF-WAXVQEINSA-N 334.500 3.725 0 1 EHAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H]2O[C@@H]21 238751657 AIAUJFWJTKYVMK-VVDYACTKSA-N 348.439 3.528 0 1 EHAF O=C(O[C@@]12CCCN(C1)/C(=C/c1cccnc1)C2)C1CCCCC1 96018903 LJNJZJHQFPJBNP-VOMPUTFMSA-N 326.440 3.784 0 3 EHAF CCN(C)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cn1 96270034 YKFZUDPABMYUAT-UHFFFAOYSA-N 341.455 3.853 0 1 EHAF O=Cc1ccc(OCc2occc2-c2nc3ccc(CO)cc3[nH]2)cc1 586901208 RCMJLKAUCHTTEP-UHFFFAOYSA-N 348.358 3.707 0 1 EHAF CCOc1ccc(C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443869 QGAKBRGDZNQKPN-UTKZUKDTSA-N 338.403 3.843 0 1 EHAF Nc1cccc(O)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587251016 WJCGIIPHNUOASZ-UHFFFAOYSA-N 329.359 3.749 0 1 EHAF CCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C)cn1 587622927 JZPKUGPHEWLBKS-UHFFFAOYSA-N 344.216 3.999 0 1 EHAF CC(=O)C(C)(C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806832 BDOLYJXSACVKQV-FVMDXXJSSA-N 342.252 3.953 0 1 EHAF Oc1nc(O)c2cc(CCc3ccccc3)c(-c3ccccc3)nc2n1 587561910 WHYHGEFKDMCDDQ-UHFFFAOYSA-N 343.386 3.888 0 1 EHAF CC(C)OC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797389 WRELAIXNZCPMDT-ZUZCIYMTSA-N 330.241 3.763 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1C(=O)O)CC2=O 587487632 HBDHVWJWZLHZLB-QGZVFWFLSA-N 326.348 3.749 0 1 EHAF CC(=O)N[C@H](Cc1nc2ccc(F)c(C)c2[nH]1)c1ccc(C)cc1 587207413 SUKIBTDFINAAQK-QGZVFWFLSA-N 325.387 3.739 0 1 EHAF O[C@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccccc1Cl 587058606 HKGXRSHRKLBYNV-ZDUSSCGKSA-N 330.668 3.854 0 1 EHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CCCO 13651606 GCVHPGPUECVJJN-MJCUULBUSA-N 330.468 3.752 0 1 EHAF CCCc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@@H](CC)C2 1857648135 DODPNUPHPQSVMK-AWEZNQCLSA-N 341.407 3.682 0 1 EHAF Cc1c(SCCCC(=O)O)c2ccccc2n1-c1cnn(C)c1 1857744264 YIQREVBUQDGTSU-UHFFFAOYSA-N 329.425 3.629 0 1 EHAF O=C(O)CCNCCCCOc1ccc(Cc2ccccc2)cc1 13475290 WANXBDVGZLXQHJ-UHFFFAOYSA-N 327.424 3.501 0 1 EHAF CSc1nc2c(sc3ccccc32)c(=O)n1C[C@@H]1CCCO1 2962141 CRVUQTLIKDUISE-JTQLQIEISA-N 332.450 3.512 0 1 EHAF CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)C(C)(C)C)C=C1C 2356321170 UIMHGVXJCBCURJ-BBWFWOEESA-N 337.504 3.957 0 1 EHAF CC(=O)Nc1cccc(-c2ccc([C@@](O)(c3c[nH]cn3)C(C)C)cc2)c1 59972437 DDQPLMGLQXMKLK-OAQYLSRUSA-N 349.434 3.927 0 1 EHAF CC1=Nc2ncnn2[C@H](c2c[nH]c3ccccc23)/C1=C(\O)OC(C)C 101633010 XQCRLBSPAUUZLV-IBOXJLQUSA-N 337.383 3.649 0 1 EHAF aggregator Cc1oc(-c2cccs2)cc1C(=O)N1CCC[C@@](C)(C(=O)O)C1 61906180 JZMKCQBPOVJCJP-QGZVFWFLSA-N 333.409 3.643 0 3 EHAF COC(=O)[C@@]12CCC[C@@]3(C=NC1)[C@@H]1Cc4occc4[C@H](C)[C@H]1CC[C@@H]23 2356424145 PEBWOTHMOKLLMG-MBJILEETSA-N 341.451 3.996 0 1 EHAF CN(C)CCN1CCSc2ccc(NC(=N)c3cccs3)cc21 113971713 LWYBYZGSMWKVOK-UHFFFAOYSA-N 346.525 3.659 0 1 EHAF CCNc1nc2sc(-c3ccc(F)cc3)nc2c2c1ncn2C 40954423 BNNHUJVLSQMBPR-UHFFFAOYSA-N 327.388 3.816 0 1 EHAF CC(C)(O)c1ccc2c(c1)ncn2-c1ccnc(-c2ccncc2F)c1 68206946 JJDOSDBXSABYSI-UHFFFAOYSA-N 348.381 3.849 0 1 EHAF CC(=O)NCCN1C(C)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 72123597 FVINCYMHTZGLMU-LJQANCHMSA-N 341.842 3.931 0 1 EHAF CCNC(=S)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cccs1 38287711 VEZZHZXQKQWMGT-OAHLLOKOSA-N 345.493 3.802 0 1 EHAF CC(C)n1cnc2c(Nc3ccccc3Br)ncnc21 72108229 DLKHZUQPZYWMAD-UHFFFAOYSA-N 332.205 3.913 0 1 EHAF COc1c(C)c(O)c(C=O)c2c1[C@H](OC)C[C@H](c1ccccc1)O2 15217557 YQWKJLXULCUUKI-HUUCEWRRSA-N 328.364 3.733 0 1 EHAF biogenic Cc1cnc(NC2CCCCC2)nc1-c1ccc(S(C)(=O)=O)cc1 43071087 KDARJRDZANDUKK-UHFFFAOYSA-N 345.468 3.600 0 1 EHAF CCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccco1 82141799 GGZLPHJOYKZKKQ-UHFFFAOYSA-N 342.443 3.503 0 1 EHAF CNC[C@@H](O)[C@H](c1cccc(F)c1)N1C[C@@H](C(C)C)c2ccccc21 45391735 BFQOTQMSOCASOW-TYPHKJRUSA-N 342.458 3.707 0 1 EHAF O[C@@H](COCc1ccc(-c2ccccc2)cc1)CN1CCCCC1 45301428 MUFRWNDLHBQCLD-OAQYLSRUSA-N 325.452 3.717 0 1 EHAF Nc1ccccc1C(=O)c1cn(-c2cccc(-c3ccccc3)c2)nn1 96270227 IEUNVZDUSWXILQ-UHFFFAOYSA-N 340.386 3.748 0 1 EHAF COc1ccc2c(=O)c(/C=C/C(=O)Nc3ccc(F)cc3)coc2c1 95591073 WUTRXPVVDMPIQO-XNWCZRBMSA-N 339.322 3.593 0 1 EHAF CNC1CN([C@@H]2c3ccccc3CSc3ccc(Cl)cc32)C1 95856772 USBWBIQDWGHDQK-GOSISDBHSA-N 330.884 3.939 0 1 EHAF C[C@@]12CC[C@H]3[C@@H](O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]1C=CC=C2C(=O)O 238762294 WRILDTLWEXJDTG-GJCUDGATSA-N 344.407 3.679 0 1 EHAF COc1ccc(-c2cnn3c(NCc4ccccn4)cc(C)nc23)cc1 473156155 SSWBLVFFBMPBLT-UHFFFAOYSA-N 345.406 3.720 0 1 EHAF CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)[C@H]1C(=O)c1cccs1 653823899 ZGNROOOFYPKLJH-XHSDSOJGSA-N 330.405 3.532 0 1 EHAF CCOC(=O)[C@@H]1[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C 587522865 INXPNVMNKFXXPV-BZSNNMDCSA-N 342.435 3.735 0 1 EHAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 586888296 JQNNUYHRKHNVGU-BLVKFPJESA-N 335.407 3.593 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(F)(F)[C@@H](F)C(F)(F)F)O2 587383358 WKUGDJMGWMYATB-NEPJUHHUSA-N 341.251 3.837 0 1 EHAF COc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Cl 587172147 XHCNRVOGMKPRHV-UHFFFAOYSA-N 348.761 3.821 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C)C(=O)O)(c1ccccc1)O2 587407337 ILJRABMBDVOIFF-RBZFPXEDSA-N 339.391 3.549 0 1 EHAF N=c1nc2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2c(Cl)[nH]1 587162481 BSDGMRWUKFCOQY-UHFFFAOYSA-N 345.790 3.953 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1nccc4ccccc14)[C@@H](C2)C3=O 587435120 CUYLKLAGTRHMCE-KKSFZXQISA-N 331.371 3.906 0 1 EHAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 586913774 SKMZFKQALYTABU-GZMMTYOYSA-N 325.206 3.704 0 1 EHAF N[C@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(F)cc1F 587151135 QKEGSRKBIBBJGB-LBPRGKRZSA-N 329.684 3.821 0 1 EHAF Nc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1N 587782190 HYGGQBKZUYNULR-UHFFFAOYSA-N 346.390 3.679 0 1 EHAF C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc(Cl)c(F)cc12 587631571 PBSGJWQVFQNAND-UJSLJHBJSA-N 348.805 3.951 0 1 EHAF Cc1cccc2c1N(C)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518855 RHDHAAWTJBDYAC-JOCHJYFZSA-N 347.414 3.711 0 1 EHAF CCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)n1 587383646 UOGAPWXOOWEQJI-CYBMUJFWSA-N 339.317 3.519 0 1 EHAF COC(=O)C[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587524278 LIIQEHAJDZBUME-RNODOKPDSA-N 328.408 3.633 0 1 EHAF COc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586995741 NNIVWZMHKVCVMA-UHFFFAOYSA-N 346.228 3.989 0 1 EHAF N[C@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@H]1c1ccccc1F 587156030 KWYKNCSHNJHWJB-VXJOIVPMSA-N 337.185 3.745 0 1 EHAF CC[C@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)Nc1ccccc1 5411834 OBVBNLAYESNFSI-HOTGVXAUSA-N 340.423 3.797 0 1 EHAF biogenic CCC(=O)Nc1ccc(S[C@H](CC(=O)O)c2cccnc2)cc1 13589317 GYRJMICBHVXALF-OAHLLOKOSA-N 330.409 3.738 0 1 EHAF CC(=O)Nc1ccc2c(c1)[C@@H](c1[nH]c3ccccc3c1N=O)C(=O)N2 169722494 JGKMVFDNLDMZCI-HNNXBMFYSA-N 334.335 3.608 0 1 EHAF CCOC(=O)c1c(N)sc(C(=O)Nc2ccc(F)c(C)c2)c1C 1857613828 DJDDGXUQHQOMLR-UHFFFAOYSA-N 336.388 3.515 0 1 EHAF CC=C(C)C(=O)O[C@]1(C)CC[C@]2(O)[C@@H](C(C)C)CC[C@]2(C)CC1=O 2356417488 BVJPUZCDZDGQEQ-XLNTUCKNSA-N 336.472 3.811 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@H](O)CC[C@@H](C)[C@@]12C 2356382538 FEVYLFPXBKQRPU-DWELJEQMSA-N 346.423 3.748 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ncccc2C)/C1=C(/O)OC(C)C 29488728 MEFPNBADIPEBBC-ZSRMJVKVSA-N 331.372 3.651 0 1 EHAF O=C(N/N=C/c1cc(F)c2ncccc2c1)[C@@H]1C[C@H]1c1ccccc1 115597067 VRECNRZYTMDWMU-CKGAZFRFSA-N 333.366 3.628 0 1 EHAF O[C@H]1CCN([C@@H]2CCCC[C@@H]2OCCc2cccc3ccccc23)C1 28653867 YGFOYGMYBHFEOM-NNWRFLSQSA-N 339.479 3.777 0 1 EHAF CN1CCN(c2cc3cc(C(F)(F)F)ccc3n3cccc23)CC1 26652794 MMMSWIAXSQWBAG-UHFFFAOYSA-N 333.357 3.863 0 1 EHAF CCC=CCC=CC[C@H](O)C=CC=CC=C[C@H](O)CCCC(=O)O 2356480407 BISQPGCQOHLHQK-OALUTQOASA-N 334.456 3.934 0 1 EHAF COc1ccccc1CN1CCC[C@@H](Nc2ccc3[nH]ncc3c2)C1 114337843 XGAOBHWQHSZCKT-GOSISDBHSA-N 336.439 3.648 0 1 EHAF COc1ccc([C@@H]2C[C@@H](c3ccc(OC)c(O)c3)OC[C@@H]2OC)cc1 2356550727 KAETWBBZOZEGPL-VDGAXYAQSA-N 344.407 3.670 0 1 EHAF CCC[C@@H](CC1(C(=O)NC2Cc3ccccc3C2)CCCC1)C(=O)O 34803432 IJMNLPIVXCSBRI-KRWDZBQOSA-N 343.467 3.721 0 1 EHAF CCCCCNc1ncnc2c1nc(-c1ccc(C)o1)n2CCOC 82186566 IFHCCKLNWZNUQQ-UHFFFAOYSA-N 343.431 3.643 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)Cc3occ(C)c3C[C@H]2[C@]1(C)O 238770438 PWBVCFWIHKMIKC-KJYZAZEFSA-N 332.440 3.732 0 1 EHAF C[C@H]1Oc2cc(CN3CCC(c4ccccc4)CC3)ccc2NC1=O 96274123 LFQXLJXFRXWFNG-OAHLLOKOSA-N 336.435 3.786 0 1 EHAF CC(=O)[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823590 QGFXNKAQDLTKHD-ABYOOWDOSA-N 340.236 3.707 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCSCC1 587620341 YETJIYHLKMGJPC-QFBILLFUSA-N 342.416 3.866 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N)cc1Cl)[C@@H](C2)C3=O 587418043 GSAQEAGJZOPOAS-SCLBCKFNSA-N 329.783 3.594 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(C=O)c3ccccn13)O2 587393602 JHAZBSIPFCPFCH-GOSISDBHSA-N 334.375 3.657 0 1 EHAF Cc1ccc2c3c(cc(-c4ccc(O)nn4)nc13)-c1ccccc1C2=O 587095803 AVZFZSWBTUPBDS-UHFFFAOYSA-N 339.354 3.917 0 1 EHAF COC(=O)[C@H](C)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990310 CPOMKMFIYIIIOA-LLVKDONJSA-N 347.370 3.503 0 1 EHAF COc1cccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c12 587233931 XCHZPPNCHYRYIM-RYUDHWBXSA-N 331.416 3.732 0 1 EHAF COC(=O)c1ccc2nc(/C=C\c3ccc(C)c(F)c3)[nH]c2c1OC 587146789 WQQDVSYQBQWDQZ-TWGQIWQCSA-N 340.354 3.976 0 1 EHAF CO[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586993275 XFRDBLBLLMYTBT-LLVKDONJSA-N 331.371 3.656 0 1 EHAF CCOC(=O)C(CC)(CC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440278 FWHSGBASBVADJF-AUUYWEPGSA-N 346.423 3.571 0 1 EHAF CCc1ccc(-c2nc3ccnc(OC)c3[nH]2)cc1Br 586977387 MTTUFOXOKMHJOP-UHFFFAOYSA-N 332.201 3.958 0 1 EHAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cnncc2[nH]1 587247188 JIAGWQZILZTOKG-UHFFFAOYSA-N 331.379 3.768 0 1 EHAF O=C(O)CCC(=O)Cc1c(-c2ccccc2)nc2cccc3c2c1CC3 587215718 SOAMRIGRSIELMG-UHFFFAOYSA-N 345.398 3.977 0 1 EHAF O=C1c2ccccc2-c2cc(C[C@H]3CCCO3)nc3ccc(O)c1c23 586989944 BAPXGEOYRPZCET-CYBMUJFWSA-N 331.371 3.873 0 1 EHAF CCC1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)COC1 587832002 ASOOOGRVSFHUKT-BMIGLBTASA-N 342.252 3.764 0 1 EHAF COc1cccc(-c2cnn3ccc(Nc4ccc(OC)nc4)nc23)c1 167611561 CXQZQNOMTUZADV-UHFFFAOYSA-N 347.378 3.552 0 1 EHAF C=C=C[C@]1(C(C)(C)C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976449 ZXXHMUSMPJHAPT-PXAZEXFGSA-N 341.785 3.800 0 1 EHAF CCCN(CCC)C[C@@]1(C)NCCc2cnc3c(OC)cccc3c21 963053086 GFEWHYFVNMYLAF-OAQYLSRUSA-N 341.499 3.726 0 1 EHAF COc1ccccc1NC(=O)COc1cc(C)nc2ccc(F)cc12 1772643215 IAZWLPREYNRQJU-UHFFFAOYSA-N 340.354 3.708 0 1 EHAF CCCCC[C@H]1/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 5821032 UTLCNJREJFJDLH-UAAPODJFSA-N 336.472 3.523 0 1 EHAF O[C@@]1(c2ccc(Cl)cc2)c2ccccc2C2=N[C@@H]3CCCC[C@@H]3N21 13491111 KLRMDPMJYLBCKY-HBFSDRIKSA-N 338.838 3.920 0 1 EHAF COC(=O)C/C=C/[C@H](C)[C@H](OC)c1ccccc1Br 13783009 WPCOPGOEBYZGMO-GYCFJXGYSA-N 327.218 3.892 0 1 EHAF C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C)C(C)(C)O 205422975 SHUNDKCHHXBLQQ-FVAQLPKLSA-N 348.483 3.584 0 1 EHAF NC(=O)c1cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n[nH]1 58581262 JSQSMCDHAOMPGH-UHFFFAOYSA-N 347.296 3.741 0 1 EHAF CCOC(=O)/N=c1/scc(C)n1-c1cccc(C(F)(F)F)c1 103293638 WUUPHZVEHJGLSZ-LDADJPATSA-N 330.331 3.923 0 1 EHAF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]1CCC(C)=C1CC=C(C)[C@H]12 2356720059 OXXDMPVAKVTTPQ-CLWJZODNSA-N 330.424 3.873 0 1 EHAF COc1c([C@@H](CC(C)=O)c2ccccc2)c(=O)oc2cccc(O)c12 27556096 UTALIORASSANJT-AWEZNQCLSA-N 338.359 3.618 0 1 EHAF Cc1ccccc1-c1cncnc1N1CCC(c2[nH]cnc2C)CC1 36176462 AAZYMKQLICKXJJ-UHFFFAOYSA-N 333.439 3.868 0 1 EHAF O=C(NCc1ccncc1)c1ccc(OCCc2ccccc2)cc1 72173529 KVCYVMNMWHRDFJ-UHFFFAOYSA-N 332.403 3.633 0 1 EHAF Cc1cc(N(C)C2CCN(C)CC2)nc(Nc2ccc(Cl)cc2)n1 45190359 NITWENXDBMSSLU-UHFFFAOYSA-N 345.878 3.712 0 1 EHAF CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@]1(C)c1ccccc1 49051444 FHKCLMZCIFJHAY-QGZVFWFLSA-N 329.425 3.680 0 1 EHAF Cc1c(S(N)(=O)=O)cc2c(c1C)O[C@](C)(CCCC(C)C)CC2 220732381 BWIXYHYMTKUOAF-GOSISDBHSA-N 339.501 3.861 0 1 EHAF COc1cc2nc(=S)n(Cc3cccs3)c(O)c2cc1OC 239439290 ZRWKFFVUTWCLGQ-UHFFFAOYSA-N 334.422 3.598 0 3 EHAF C[C@]1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2S1 96906011 LDYSTRCMWIEPSN-IBGZPJMESA-N 332.432 3.828 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)nc1)[C@@H](C2)C3=O 587421981 MXGVWHGDJOQVCZ-SJCJKPOMSA-N 349.308 3.772 0 1 EHAF Cc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587528301 YUIZNGFXYBEAOK-NRFANRHFSA-N 333.387 3.687 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc4ccccc4n1)[C@@H](C2)C3=O 587437337 YBZVFGZHRBUOOX-BTYIYWSLSA-N 331.371 3.906 0 1 EHAF FC(F)(F)c1ncc2nc(COC/C=C\c3ccccc3)nc-2[nH]1 587781016 OIVZNDHXQJRTER-DAXSKMNVSA-N 334.301 3.553 0 1 EHAF O=C1C[C@@](CO)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587501947 HCYQBICNOILSKK-HXUWFJFHSA-N 326.367 3.558 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCO2)N1 587836048 YQCOOQSTUJHMGE-MURWCNHISA-N 328.225 3.517 0 1 EHAF Oc1cc(-c2cccc(F)c2)c(O)n1-c1ccnc(Br)c1 587939580 GTUXXAKHYYTRSJ-UHFFFAOYSA-N 349.159 3.852 0 1 EHAF CCc1ccc2nc(Cc3cccc(S(=O)(=O)CC)c3)[nH]c2c1 586921874 OLHMQVJTEHDZAU-UHFFFAOYSA-N 328.437 3.510 0 1 EHAF COc1cc(C)ccc1OCc1nc2cc(Br)cnc2[nH]1 587563970 KYSYIUZWLAFUCC-UHFFFAOYSA-N 348.200 3.616 0 1 EHAF Cc1c(Br)cc2nc(CC[C@@H](C)CC(=O)O)[nH]c2c1C 587960868 NPSLYOMOFOHBMM-MRVPVSSYSA-N 339.233 3.986 0 1 EHAF Oc1nc(S)nc2[nH]c(-c3cccc(-c4ccsc4)c3)nc12 587026261 BQKPNWYXHHRHLJ-UHFFFAOYSA-N 326.406 3.743 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C[C@@H](C)[C@H]2C 587818494 DWBMOKHXLZARNY-IOOBAMJDSA-N 340.236 3.563 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccccc32)N1 587818614 RMEFQRUUKXAZAF-DYZYQPBXSA-N 332.216 3.922 0 1 EHAF Cc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590861 ZQUYRNVYEJKKKP-OXJNMPFZSA-N 333.343 3.799 0 1 EHAF COc1ccc(-c2ccc(-c3nc4nccc(N)c4[nH]3)cc2)cc1OC 587929504 VPCYXAADBADQKO-UHFFFAOYSA-N 346.390 3.891 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cl)c1O)[C@@H](C2)C3=O 587421527 MYXSQMLLLMFJLK-BBATYDOGSA-N 346.766 3.552 0 1 EHAF CCn1ncc(Br)c1-c1cc2c3c(cccc3n1)CC2 587207587 GWEMKIYJIIKYLV-UHFFFAOYSA-N 328.213 3.979 0 1 EHAF Cc1cccc(C(=O)C[C@@]2(C(F)(F)F)NCCc3c(C)ccnc32)c1 963071387 ROUGUSIADKMLFP-GOSISDBHSA-N 348.368 3.875 0 1 EHAF C[C@@]1(c2cnn3c2CCC3)c2ccsc2CCN1Cc1ccco1 962706467 MEXVXJGNUCGTBR-IBGZPJMESA-N 339.464 3.806 0 1 EHAF c1ccc(CCCCc2nn3c(-c4ccccn4)nnc3s2)cc1 1772587872 AKDMUBGNSCNSTE-UHFFFAOYSA-N 335.436 3.813 0 1 EHAF COC(=O)c1c(C)cccc1[C@H]1CN=N[C@]12Cc1cccc(C)c1C2=O 5542396 PBHZKZJCBJXNHD-IIBYNOLFSA-N 348.402 3.817 0 1 EHAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCCC1)[C@@H](c1ccc(Cl)cc1)C2 13740275 FDJNTRXHKYKJDR-MLHJIOFPSA-N 332.875 3.529 0 1 EHAF COc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1 207275869 VCWOFDHMRORBOB-UHFFFAOYSA-N 339.439 3.804 0 1 EHAF COc1cc(CCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1 26577764 BDZXBDCLPQMOIN-UHFFFAOYSA-N 332.396 3.515 0 1 EHAF CN(CCC[C@@H](O)c1ccc(F)cc1)CCN(C)Cc1ccccc1 26749232 BPHPPPLCTOOLKW-OAQYLSRUSA-N 344.474 3.703 0 1 EHAF O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C(=O)N1Cc1ccccc1 101157861 XOSPGPNKDYEJGU-JYBIWHBTSA-N 333.431 3.864 0 1 EHAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(C)c(Cl)c1 100912873 AVKXQSPVMFIMNB-WFMVMPNVSA-N 331.843 3.688 0 1 EHAF C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc(C(C)(C)C)ccc3O)CCN12 26271150 LWLJMDDFWFHZIV-HYVNUMGLSA-N 344.499 3.825 0 1 EHAF O=C1OCC(NCc2ccccc2)=C1c1ccc(Br)cc1 66075920 BFQLTCBWEOOODQ-UHFFFAOYSA-N 344.208 3.507 0 1 EHAF CNC(=O)C(=O)CCCCCCc1cnc(-c2ccccc2)s1 27301589 RWZWKVJPVFNOKA-UHFFFAOYSA-N 330.453 3.618 0 1 EHAF O=C(O)c1ccc(-c2nc(S)c3c(n2)Oc2ccccc2C3)cc1 20380298 PILMMWDISIINIR-UHFFFAOYSA-N 336.372 3.827 0 1 EHAF CCCCC[C@@H]1/C=C\[C@H]2C(=O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 27876509 HZYSFMCHNGCKLZ-VYRNNYGASA-N 334.456 3.731 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC(C)=C2C=CC(C)=C2[C@@H]2OC(=O)[C@@H](C)[C@@H]12 2356579491 APSKLIXBMOHBGY-DHXZDTOLSA-N 328.408 3.649 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC(C)=CCCC(C)=C[C@H](O)[C@H]1[C@@H](C)CO 2356610421 ZZBPVABDPAAVGR-INDMIFKZSA-N 336.472 3.546 0 1 EHAF CC(C)[C@]1(O)CCC2=C(CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]23C)[C@H]1O 2356639165 HBNMFHJIMJHWIA-KRFUXDQASA-N 336.472 3.516 0 1 EHAF COc1ccc2c([C@H](c3ccccc3)n3ccnc3)cc(=O)oc2c1 66113223 KGQBLIWKILTMQP-FQEVSTJZSA-N 332.359 3.636 0 1 EHAF Cc1ccc(C)c(C(=O)C[C@@H](C(=O)Nc2ccccc2)n2ccnc2)c1 45373726 PHIIFIGTXQOGFD-IBGZPJMESA-N 347.418 3.953 0 1 EHAF Cc1ccc(O)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1 40403826 KGOACMJDNWPVHK-UHFFFAOYSA-N 333.391 3.960 0 1 EHAF O[C@]1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)C1 40864120 PVPFHWKNLSESPB-LJQANCHMSA-N 326.827 3.915 0 1 EHAF in-vitro Cn1cnc2cc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)ccc21 96169285 WRVPROXVHBOOPT-QUCCMNQESA-N 345.446 3.908 0 1 EHAF C/C=C(\C)C(=O)O[C@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)[C@H]2O[C@]12C 238748711 JYFQGNVUDRLGJK-ZDHUPIKLSA-N 336.472 3.785 0 1 EHAF COc1ccc(C[C@@H](C)c2nc3c(C)nc(C)cc3[nH]2)cc1OC 587925137 BETJOLFSDGMGMB-LLVKDONJSA-N 325.412 3.938 0 1 EHAF CCOC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1-c1cccc(F)c1 587637927 RETKYEMHDGBHDX-UHFFFAOYSA-N 341.338 3.778 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCc4sc(Cl)cc41)[C@@H](C2)C3=O 587451283 JVRZJANCSKNUGD-GTNSWQLSSA-N 332.808 3.999 0 1 EHAF FC(F)=C(C[C@@H]1CCCN1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587089006 VSESWDYZAGMKCH-YFKPBYRVSA-N 335.251 3.869 0 1 EHAF CCc1ccccc1NC(=O)c1nc2nc(Br)ccc2[nH]1 587241014 NOUUPWBLQVSLHJ-UHFFFAOYSA-N 345.200 3.535 0 1 EHAF Nc1c(F)c(F)cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1F 587136530 JUQISLAOCHEPNW-UHFFFAOYSA-N 333.100 3.931 0 1 EHAF N=c1[nH]cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc-2[nH]1 587049041 GIEKOLCAUQSQOY-UHFFFAOYSA-N 349.781 3.517 0 1 EHAF CC(C)CC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602111 WFBFRVDBVKTTCB-PXNSSMCTSA-N 340.375 3.728 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccn(C)c2)N1 587758779 YDLKYHRSMSPBGH-QLJPJBMISA-N 337.236 3.724 0 1 EHAF OCc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 586895806 ZRPVJPHKLYEKQI-UHFFFAOYSA-N 338.592 3.533 0 1 EHAF CN(C)C(=O)C[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587503676 HQDULSCGWRLDSI-QVKFZJNVSA-N 341.451 3.548 0 1 EHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(CC[C@@H]2c2ccccc2Cl)N1 962918590 IQLHLZWEVHMFJF-ACWOFJMJSA-N 345.801 3.851 0 1 EHAF COc1cc(/C=C/C(=O)OCCc2ccc(Cl)cc2)ccc1O 1772576531 DVGPRVFNJQWROL-WEVVVXLNSA-N 332.783 3.853 0 1 EHAF CC(C)(C)Nc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C(C)(C)C 5950356 NSQRLZNSMOWYJY-UHFFFAOYSA-N 334.391 3.804 0 1 EHAF CC(C)Oc1cc(N2C(=O)[C@@H]3CCCC[C@@H]3[C@@H]2O)c(F)cc1Cl 169305723 MMUUDHLSBKLFHY-USBNGQNGSA-N 341.810 3.738 0 1 EHAF CCCCC[C@@H]1/C=C/[C@@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 169366050 UTLCNJREJFJDLH-QAVQLEMHSA-N 336.472 3.523 0 1 EHAF COc1ccc(CCO[C@@H]2CCCC[C@@H]2N2CCCC2)cc1OC 167623009 GFEAFIVEZCBUNS-ZWKOTPCHSA-N 333.472 3.670 0 1 EHAF NCCCCNc1cc(N2CCc3ccccc3C2)nc2ccccc12 1857637843 XWEXSJUGTPTCLK-UHFFFAOYSA-N 346.478 3.948 0 1 EHAF NC(=O)c1ccc(NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 1857762212 KPQNHUGALSVUGI-UHFFFAOYSA-N 341.264 3.587 0 1 EHAF Cc1c(-c2ccc(=O)n(C(C)C)c2)c2cc(F)ccc2n1CC(=O)O 117015503 DBYKEKHTYRIDQY-UHFFFAOYSA-N 342.370 3.583 0 1 EHAF CC(C)CC[C@@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 27886396 MJERNKUXPGQCMF-MFKWGIFDSA-N 342.520 3.679 0 1 EHAF CCc1ccc(/C(=C\C[C@H](N)C(=O)O)c2ccc(F)cc2F)cc1 28768436 FYWPLKCPFADHMJ-DWCFMXGVSA-N 331.362 3.761 0 1 EHAF CCN1c2ncccc2-c2nccn2-c2ccc(N3CC=CCC3)nc21 29397784 XZVNBEFGLVMOLD-UHFFFAOYSA-N 344.422 3.567 0 1 EHAF NC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1 29063467 OLRHMNCQVBTBFH-UHFFFAOYSA-N 327.387 3.851 0 1 EHAF C[C@@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCC1=CC(=O)O[C@@H]1O 2356595714 QUBSKTZAKHEGEY-NPPRRADBSA-N 334.456 3.626 0 1 EHAF CC(C)(CO)c1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1 216022694 SAYISHOUQYAOQE-UHFFFAOYSA-N 344.798 3.851 0 1 EHAF Cc1ncc2[nH]ncc2c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144380298 NKSGNMVUYWBPFF-UHFFFAOYSA-N 343.390 3.830 0 1 EHAF COc1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)cc1OC 95921332 UIEXDKQSWATHMD-UHFFFAOYSA-N 335.367 3.714 0 1 EHAF in-vitro Cc1ccc(CN2CC[C@]2(C)C(=O)N[C@H]2CCc3ccccc32)cc1 254044359 FFYCKUCVUJACLO-RBBKRZOGSA-N 334.463 3.763 0 3 EHAF Cc1cc(COc2c(F)ccc(F)c2F)nc(-c2ccccn2)n1 653808158 ZVWAGFKKDCHJBW-UHFFFAOYSA-N 331.297 3.843 0 1 EHAF COc1ccc(/C=C/c2cn(/C=C/c3ccc(O)c(OC)c3)nn2)cc1 653795395 XZYVVDMYRVLHGZ-SOHFFQIYSA-N 349.390 3.799 0 1 EHAF COc1cncc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587516429 XDFBGLYXDZNFDK-MRXNPFEDSA-N 337.419 3.936 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c3ncccc13)O2 587394386 GADKPSGPZQWHDP-FQEVSTJZSA-N 334.375 3.712 0 1 EHAF CNc1c(F)cccc1-c1nc2ccc(Br)c(O)c2[nH]1 587136157 WGUZZEVWHGGWPT-UHFFFAOYSA-N 336.164 3.879 0 1 EHAF CN(C)C(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1 587111963 FXQIOSXDWFBWME-UHFFFAOYSA-N 333.313 3.951 0 1 EHAF CCCc1sc(=N)[nH]c1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587013009 GOPLTIJYEOZPJC-UHFFFAOYSA-N 328.228 3.753 0 1 EHAF COc1cc(C)c([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1C 963634147 JUIAGZTWMDQQES-LHSJRXKWSA-N 341.451 3.953 0 1 EHAF C[C@@H]1C[C@H]([C@@H]2NCCc3ccc(O)cc32)CCN1C(=O)OC(C)(C)C 963342020 QCVZNLLYCQGIPU-SIIHOXLZSA-N 346.471 3.615 0 1 EHAF NC(=O)N1CCc2sccc2[C@@]1(CCc1ccccc1)C(F)F 962701811 KNODCTIFBNWVSW-KRWDZBQOSA-N 336.407 3.778 0 1 EHAF CC[C@@]1([C@H]2CCCNC2)c2ccsc2CCN1Cc1cccn1C 962402375 ZVIHFHIDDXQEAQ-OXJNMPFZSA-N 343.540 3.750 0 1 EHAF Cc1c(F)ccc2c1[C@](c1ccccc1)([C@@H](C)CC(=O)O)NCC2 962295264 DANBKKGAXSBKHN-RNODOKPDSA-N 327.399 3.634 0 1 EHAF C[C@@]1(c2cccc3c2OCO3)c2c(F)cccc2C[C@H]2CCCN21 963098085 FZTTVLOLYJOXNH-JLTOFOAXSA-N 325.383 3.838 0 1 EHAF Cc1cc2c(c(O)n1)C(=O)O/C2=C\c1cc(Br)cs1 1857534569 OVVPMEBSTYXWBJ-WMZJFQQLSA-N 338.182 3.588 0 1 EHAF COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C(C)=O)C2 11999402 LHDQQQGRFNFEJN-UHFFFAOYSA-N 331.799 3.757 0 1 EHAF C[C@H]1CCCC[C@@H]1n1cnc2c(sc3nccc(N(C)C)c32)c1=O 13676125 DJZFVYFKKWLWNN-RYUDHWBXSA-N 342.468 3.823 0 1 EHAF C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCSCC3)[C@@H]2CC1 169360444 AVMKQDRJSMPYJV-UMPTUXTHSA-N 335.513 3.660 0 1 EHAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1csc(C)n1 167474220 AWEIXZLKENNCKP-AWEZNQCLSA-N 346.452 3.723 0 1 EHAF O=C(N[C@@H]1CCc2cc(Cl)cc(Cl)c21)[C@H]1COc2ncccc21 205100337 KWFRKVWOJFLNAF-GXTWGEPZSA-N 349.217 3.668 0 1 EHAF CC(C)CC(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 212211 JIISTJABFPEBEL-HXUWFJFHSA-N 340.398 3.742 0 3 EHAF COc1ccccc1[C@@H]1N[C@@H](c2ccccc2OC)[C@@H](C)C(=O)[C@@H]1C 3065919 NLSCCGAGHJFEOU-UYVJDWJCSA-N 339.435 3.931 0 1 EHAF Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)O)c(C)nc32)cc1C 4992333 UHNLJHNVMDOXDF-UHFFFAOYSA-N 337.423 3.980 0 3 EHAF CC(C)N(C(=O)c1ccc(CC[C@H]2CCC(=O)N(C)C2)cc1)C(C)C 28758126 VTCCPULQRYTEKR-SFHVURJKSA-N 344.499 3.747 0 1 EHAF O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccccc1)c1ccc(O)cc1 64549476 BUMFKYNKIIPRRX-FQEVSTJZSA-N 337.325 3.957 0 1 EHAF O=C(O)c1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1 29135887 RZKQXHCTXFUAPZ-UHFFFAOYSA-N 337.331 3.981 0 1 EHAF CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924834 FGDFFHLIMDMCJI-AFYPPJMBSA-N 334.500 3.566 0 1 EHAF endogenous,in-man CC(C)=CCc1c(O)ccc2c1O[C@H]1c3cc(O)ccc3O[C@H]2[C@H]1O 2356411883 AGFXMAHABUUTRN-RLLQIKCJSA-N 340.375 3.535 0 1 EHAF O=C(O)c1cccc(-c2csc([C@H](O)c3ccc(F)cc3)n2)c1 61926236 NRAHQIKOQFWYJN-OAHLLOKOSA-N 329.352 3.729 0 3 EHAF C[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1CCc1c2[nH]c2ccccc12 2109755 AWMWWNLYDJLDKW-HXUWFJFHSA-N 349.365 3.547 0 1 EHAF biogenic COc1ccc([C@@H]2c3ccccc3-c3nc(N)nc(N)c3[C@H]2C)cc1 45228843 SEINHRLAJDFYDA-MEDUHNTESA-N 332.407 3.566 0 1 EHAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O2 40465225 KBFCVOAVUKWCPS-DCCGFWISSA-N 336.472 3.523 0 1 EHAF CCCCCCN1CCC(C(=O)N(C)CC)(c2cccc(O)c2)CC1 222857357 AOOXYUOJIHILLE-UHFFFAOYSA-N 346.515 3.784 0 1 EHAF Cc1nc2c3c(c(-n4cncn4)cn2c1C)CC[C@@H](c1ccccc1)N3 40974432 ZGALKRMWGKUOEJ-KRWDZBQOSA-N 344.422 3.631 0 1 EHAF CCCN[C@@H]1CC[C@H](C)[C@]2(Cc3cc(C(=O)O)ccc3O2)C1(C)C 49033678 NNEKFYKKCAXJAV-WSXQUGQNSA-N 331.456 3.883 0 1 EHAF CCN(C)C(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1F 82152787 DLYJHDNKMACYAK-UHFFFAOYSA-N 342.418 3.729 0 1 EHAF Cc1nc(C(=O)Nc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1 95602823 SGGNQTJRZANWCP-UHFFFAOYSA-N 344.777 3.929 0 1 EHAF Fc1ccc(O[C@H](CC2CNC2)c2ccc(F)c(F)c2)cc1F 299834640 BTQKCUGOWJLBQO-QGZVFWFLSA-N 325.305 3.973 0 1 EHAF C/C=C1\NNC(=O)C(c2nc(-c3ccc(F)c(F)c3)cs2)=C1CC 587922088 JXTNVMHBVBDNAQ-PQMHYQBVSA-N 347.390 3.790 0 1 EHAF OCCc1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023362 JMETWQSCGICIEO-UHFFFAOYSA-N 327.434 3.950 0 1 EHAF NC(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587031875 BPMLJDGGGKTQPP-UHFFFAOYSA-N 348.431 3.670 0 1 EHAF CCCn1nc(C)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421608 VCEYXJZQHINBOD-KZULUSFZSA-N 346.814 3.752 0 1 EHAF CCOc1n[nH]c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1Cl 587064441 AVHOLIIZBRAHFR-UHFFFAOYSA-N 332.578 3.707 0 1 EHAF Cn1cc(-c2nc3cncc(Br)c3[nH]2)c(C(F)(F)F)c1 587113620 VTKZMRXZOYJWFO-UHFFFAOYSA-N 345.122 3.745 0 1 EHAF CCOC(=O)c1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1 586897565 GAFLZXPETSGPFY-UHFFFAOYSA-N 336.391 3.991 0 1 EHAF OCC12CCC(c3nc4c(F)c(F)c(F)c(F)c4[nH]3)(CC1)CC2 586895589 OGKTUBAUYFDQIJ-UHFFFAOYSA-N 328.309 3.704 0 1 EHAF C[C@]1(c2cccc(C(=O)O)n2)CC(=O)c2ccc3c(c2O1)CCCC3 587513668 DPCMQYRIEIEPBL-HXUWFJFHSA-N 337.375 3.539 0 1 EHAF C[C@@H]1SCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587619947 WDAUXWRFSNLCAO-GYOIFBIXSA-N 328.389 3.618 0 1 EHAF CC(=O)CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814847 WEPAJBHVYGRFBN-VFZGTOFNSA-N 328.225 3.707 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2cccnc21 587395814 UHBPRNTWHCTUIV-OAQYLSRUSA-N 344.370 3.987 0 1 EHAF Cn1cc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1 587105132 PNWJFNIMYQGSKW-UHFFFAOYSA-N 325.371 3.771 0 1 EHAF CC(C)Nc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587511206 JHWHNKFSRAFFKU-GOSISDBHSA-N 337.423 3.882 0 1 EHAF Clc1ncnc2[nH]c(-c3ccccc3OCc3cscn3)nc12 587029372 OTCKMOXVHSZKHF-UHFFFAOYSA-N 343.799 3.709 0 1 EHAF Cc1noc(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587789694 AOVVKHZOASHPKJ-ZIDLFYJRSA-N 339.208 3.817 0 1 EHAF CCCCCCC(=O)OCCNC(=O)Nc1cccc(Cl)c1 13560462 ACXWWJNSYFGSQF-UHFFFAOYSA-N 326.824 3.975 0 1 EHAF O=C(CCCCCCC(=O)Nc1ccccn1)Nc1ccccc1 13587781 QSUXHQUVCUHWJP-UHFFFAOYSA-N 325.412 3.999 0 1 EHAF CCCCCOC(=O)CCCNC(=O)Cc1cccc(Cl)c1 13644444 YAHVPJABNUYWPB-UHFFFAOYSA-N 325.836 3.512 0 1 EHAF C[C@H]1CCCC[C@@H]1NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 13833788 SKWFVNMXOGFNNC-VBNZEHGJSA-N 328.481 3.611 0 1 EHAF C1=N\c2ncccc2OCCOc2cccnc2/N=C/c2ccccc2/1 169299136 HDDXUMSQLAFKEY-NQGGHMMCSA-N 344.374 3.749 0 1 EHAF C[C@]12CC[C@@H]3c4cc(/C=C/CO)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13491704 UAZNARNUXKXXSK-DHPNAPPPSA-N 328.452 3.615 0 1 EHAF COc1cccc2c1CCC[C@H]2CNCCc1ccc2c(c1)OCO2 13761414 GXYVQBPIOVUKHG-INIZCTEOSA-N 339.435 3.676 0 1 EHAF COc1cc(C(=O)[C@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O 14646612 UFCKYLUYWNYRRX-CHWSQXEVSA-N 342.391 3.827 0 1 EHAF biogenic CCCn1ncc(-c2ccnc(N3CCC[C@@H]3c3ccccn3)n2)c1C 20149429 GBSIYYWUVDGGKM-LJQANCHMSA-N 348.454 3.795 0 1 EHAF CN1CC[C@@H]2[C@@H](NC(=O)c3ccc(Cl)cc3Cl)CCC[C@H]2C1 26182280 WORUCROBZFMMIS-RBOXIYTFSA-N 341.282 3.844 0 1 EHAF Cc1cc2nc(N3CCN(c4ncccc4Cl)CC3)[nH]c2cc1C 28339636 WFLDAKPAQAXJKJ-UHFFFAOYSA-N 341.846 3.555 0 1 EHAF Cn1c(-c2ccc(NC(=S)Nc3ccccc3)cc2)n[nH]c1=S 29412687 IBTQNIGFPSGMHM-UHFFFAOYSA-N 341.465 3.954 0 1 EHAF C[C@@H]1Cc2c(O)c3c(c(O)c2O1)[C@]1(C)CC[C@H]2C[C@@]2(C)C1=C(O)C3=O 32296791 BHZINWNKPSPIIT-OVMVZZEFSA-N 342.391 3.507 0 1 EHAF biogenic Cc1cc(=O)oc2cc(N3C(=O)CS[C@@H]3c3ccccc3)ccc12 49723133 BJZPUUVDOKCOAI-LJQANCHMSA-N 337.400 3.880 0 1 EHAF Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccc(F)cc3)C2)cc1C 53296856 MMRNBNZGCDCCFK-KRWDZBQOSA-N 327.428 3.837 0 1 EHAF FC1(F)CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 66066159 OGQADGYHVAQLNE-UHFFFAOYSA-N 341.405 3.760 0 1 EHAF O=C(/C=C/C=C\CC/C=C/c1ccc2c(c1)OCO2)N1CCCC1 66074395 XWQSYLYFCJTIEL-VYLBLDPHSA-N 325.408 3.944 0 1 EHAF CN(Cc1ccccc1)c1nnnn1-c1cccc(Cl)c1Cl 71335003 AADDZOJHWIKRHN-UHFFFAOYSA-N 334.210 3.606 0 1 EHAF COc1ccc(-c2ncn3c2-c2cc(OC)c(OC)cc2CC3)cc1 84616587 MIBLXMSLYLPPQF-UHFFFAOYSA-N 336.391 3.799 0 1 EHAF c1ccc(-c2cnnc(NCc3cc(-c4ccccc4)[nH]n3)n2)cc1 95563187 FWJUQRCFELSAAV-UHFFFAOYSA-N 328.379 3.541 0 1 EHAF Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)NC(C)C)cc2)cc1 100094023 LZTQHSSZLOXNQS-AERCQKQUSA-N 349.478 3.520 0 1 EHAF CC(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1 115626616 VTQMKDZDRPBWRM-UHFFFAOYSA-N 334.423 3.693 0 1 EHAF O=C(Nc1ccccc1)N1CCN(Cc2ccc3cc[nH]c3c2)CC1 137391878 QNJKNBPBQMTDSA-UHFFFAOYSA-N 334.423 3.518 0 1 EHAF CC[C@@]1(c2ccccc2)OC(=O)C[C@]1(Cc1ccccc1)C(=O)OC 142751329 PNNSQDWCTWHUOH-RTWAWAEBSA-N 338.403 3.641 0 1 EHAF CN1C[C@@](O)(c2ccc(-c3cccs3)cc2)O[C@@H]2CCCC[C@@H]21 169370010 MXIZKFJQVCWRGU-SCTDSRPQSA-N 329.465 3.833 0 1 EHAF C/C=C(/CO)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@H]2C1 238748397 RMYNXUZHSPSIKZ-UWWWZXRSSA-N 332.440 3.589 0 1 EHAF COC(=O)c1sc2ccccc2c1S(=O)(=O)c1ccccc1 299864622 MRDUBPVOJSRQSP-UHFFFAOYSA-N 332.402 3.521 0 1 EHAF CCc1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587035382 STCFPJPBZOIKSJ-UHFFFAOYSA-N 325.437 3.606 0 1 EHAF Nc1ncnc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 587124891 NBLOOUDQHQHEBQ-UTCJRWHESA-N 337.330 3.717 0 1 EHAF CNc1c(F)cccc1-c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587136314 YJHQWWMJBOHVDU-UHFFFAOYSA-N 333.750 3.851 0 1 EHAF COc1cc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1C 587175538 UJBRLCKVXDJKAE-AWEZNQCLSA-N 338.386 3.743 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(Cl)cnc4o1)[C@@H](C2)C3=O 587420749 IXMFADRQSUZGQO-YVEFUNNKSA-N 341.750 3.979 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCc4c1[nH]c1ccc(F)cc41)[C@@H](C2)C3=O 587429711 WLKOGYJRPGCQGU-YCRPNKLZSA-N 349.361 3.905 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCN([C@@H](C)c4ccccc4)C1)[C@@H](C2)C3=O 587439590 VIRWPERUPPKMSM-VELBRHGASA-N 349.430 3.648 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1nc4c(s1)CCCC4)[C@@H](C2)C3=O 587451973 LZMKPGQUFQFBPP-APPDUMDISA-N 327.405 3.519 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(O)nc1C)CC2=O 587493860 IFZXDFQMVQSQFQ-QGZVFWFLSA-N 333.409 3.696 0 1 EHAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CC[C@H]2CC(C(=O)O)C1 587528581 CFBLWJDMZZOLQD-CELYABABSA-N 340.419 3.790 0 1 EHAF CC1([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)COC1 963818830 UCCYDBKCKZIIAY-NRFANRHFSA-N 348.446 3.970 0 1 EHAF Cc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1 1857556665 BHOZITIWJBGALO-UHFFFAOYSA-N 336.370 3.935 0 1 EHAF C[C@]12CC(=O)[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCCC2=CCO 2356308015 JTOOMWOXUKJUIP-XYTKYUQYSA-N 346.511 3.878 0 1 EHAF CO[C@H](C)c1cncc2c1C[C@@H]1c3[nH]c4ccccc4c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c1ncc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)cn1 59807975 DQUAAZPJCZKTDL-CQSZACIVSA-N 347.509 3.663 0 3 EHAF COc1ccc(-c2csc([C@H](O)c3ccc(OC)cc3)n2)cc1 61903993 VGFXTSVEGYOUJT-QGZVFWFLSA-N 327.405 3.909 0 3 EHAF CCOC(=O)[C@]1(C)CCCN(C(=O)c2cccc3ccccc23)C1 61904028 XQHJDFRVMGCQDP-HXUWFJFHSA-N 325.408 3.645 0 3 EHAF O=C(O)[C@@H]1Cc2cc3c(-c4ccccc4F)noc3c(Cl)c2O1 6095502 CGWOIHAQZNLJFD-NSHDSACASA-N 333.702 3.675 0 1 EHAF Cc1noc(C)c1CCN1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 20917089 KLUUBMWYZSKGMG-QGZVFWFLSA-N 328.391 3.686 0 1 EHAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1cc(C)on1 26667257 BXPMKYAAUTUTSK-UHFFFAOYSA-N 337.401 3.773 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(CO)C(=O)CC[C@H]32)C1 2356621780 PRBXKEWXBFDLIT-LPPQKWGASA-N 348.483 3.502 0 1 EHAF Cc1cc(C)cc([S@](N)(=O)=NC(=O)Nc2ccc(Cl)cc2)c1 25975198 AAWWKGYIKBRMPN-JOCHJYFZSA-N 337.832 3.890 0 1 EHAF COc1ccc([C@@H](O)c2nc(-c3ccccc3Cl)c[nH]2)cc1F 61898082 PBLJKVQKQCPTJN-MRXNPFEDSA-N 332.762 3.960 0 3 EHAF c1cncc(-c2nc(NCCCn3cccc3)c3ccccc3n2)c1 72141047 HNYLXKIIQHZCJB-UHFFFAOYSA-N 329.407 3.996 0 1 EHAF CCOC(=O)c1c(OC2C[C@@H](C)C[C@@H](C)C2)c(CC)c(C)[nH]c1=O 40835083 VUCDLZIIDNYGHR-ONXXMXGDSA-N 335.444 3.626 0 1 EHAF O=C(c1cn(CCN2CCOCC2)c2ccccc12)C1CCCCC1 45260605 BKMZISGAQBQGPE-UHFFFAOYSA-N 340.467 3.737 0 1 EHAF CC(C)Oc1ccc(-c2nc3cc(CC(=O)O)cnc3o2)cc1Cl 84669874 OSXZZGVSHYOKTM-UHFFFAOYSA-N 346.770 3.958 0 1 EHAF CN(C)Cc1ccc(-c2cc3c(-c4cnn(C)c4)ccnc3[nH]2)cc1 49072611 WVYZESHCWKLDBS-UHFFFAOYSA-N 331.423 3.692 0 1 EHAF Nc1nc(=S)[nH]c2c1[C@@H]1CCCCCN1C(=O)N2c1ccccc1 96935395 MCDDFZWGBRYNSU-LBPRGKRZSA-N 341.440 3.910 0 1 EHAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C 34494875 AYTMEYVBLXAHPT-LZUXVWQXSA-N 332.484 3.774 0 1 EHAF biogenic CC(=O)CCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587813802 PWJJGHSDVAFCMB-RFAUZJTJSA-N 328.225 3.923 0 1 EHAF Clc1cncc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587008554 YFEJMQOQGFEIEG-UHFFFAOYSA-N 348.591 3.917 0 1 EHAF CC[C@H](C)Sc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587409996 OYNACAYGVMMQBA-MEDUHNTESA-N 343.452 3.964 0 1 EHAF COc1ccc(C=O)c(-c2nc3c(ccc4ncccc43)[nH]2)c1OC 587796896 RKAXNQFISBUJMU-UHFFFAOYSA-N 333.347 3.608 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccc4)n1C)[C@@H](C2)C3=O 587429984 FEGIJBGPNAYDTI-YWZLYKJASA-N 346.386 3.584 0 1 EHAF O=C(O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587531404 FRZXWOHJPJNUTB-SFHVURJKSA-N 338.359 3.676 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCSC2 587618670 PNRTWJIMDXKAIU-MAUKXSAKSA-N 328.389 3.620 0 1 EHAF COC(=O)c1ccnc2[nH]c([C@H](C)SCc3ccccc3)nc12 586962464 SCHRHLPWMMSETQ-NSHDSACASA-N 327.409 3.739 0 1 EHAF CCO[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599301 DYOCRDAIANGRCM-FUHIMQAGSA-N 340.375 3.682 0 1 EHAF Cc1cnc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2c1 587168282 HLTCSWRXKNKTAZ-UHFFFAOYSA-N 334.358 3.531 0 1 EHAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)cc1O 587527551 WPIFTWIMPDNVLR-SFHVURJKSA-N 340.375 3.692 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)CN(C)C)N1 587741229 MJKFYNLJSGKFCN-BMIGLBTASA-N 343.284 3.751 0 1 EHAF CC[C@]1([C@H]2CCCNC2)c2ccsc2CCN1Cc1cccnc1 963006203 IJVUUFRPMPFTOB-PXNSSMCTSA-N 341.524 3.806 0 1 EHAF O=C(CN1CCCCC1)N1Cc2ccccc2CCc2ccccc21 5127273 SXPDLUCTTCVIKH-UHFFFAOYSA-N 334.463 3.804 0 1 EHAF OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1)[C@@H]23 169333627 WLTUSPOXUMWKCR-YSFYHYPLSA-N 342.527 3.524 0 1 EHAF COc1ccc(C(=O)N2CCc3cc(-c4cccnc4)ccc32)cc1 169348869 LWHUIRVPCRTFMW-UHFFFAOYSA-N 330.387 3.960 0 1 EHAF CC(C)[C@H](CO)NCc1nc([C@H](C)c2ccc(F)cc2)ccc1F 204423753 KIQXDLZDEBTALM-YJYMSZOUSA-N 334.410 3.618 0 1 EHAF COc1c(C)c(OC)c2c(=O)c3c(oc2c1C)-c1ccccc1CO3 1857590777 IIWSBNTUOBECJA-UHFFFAOYSA-N 338.359 3.986 0 1 EHAF Cc1nccn1CCCCCCOc1ccc2ccc(=O)oc2c1 1857774006 JWXNWUXEDKTFIO-UHFFFAOYSA-N 326.396 3.937 0 1 EHAF O=C1CS[C@@H](c2ccccc2)N1CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 191474 CRUUIYIDIZATLS-SGPMUGJYSA-N 343.492 3.592 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356410881 DOPNAZPVNCZMLH-MJGIWOBBSA-N 334.500 3.566 0 1 EHAF Cc1ccccc1-c1nc(=O)n(-c2ccc(OC(F)(F)F)cc2)o1 103177688 NSQJSVSUIRRDCR-UHFFFAOYSA-N 336.269 3.700 0 1 EHAF Cc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(C)CC1)=N2 101764168 PICODNBGVKOVBD-UHFFFAOYSA-N 331.463 3.912 0 1 EHAF O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)C(F)(F)F 103299427 BARACUBOJOWDRD-UHFFFAOYSA-N 342.751 3.725 0 1 EHAF Cc1ccc(NC(=O)Nc2cccc3c2[C@H]2CCCCN2C3=O)nc1 118083216 URMALQKFRQFSGH-OAHLLOKOSA-N 336.395 3.715 0 1 EHAF CCOC(=O)[C@@]12C[C@@]1(C1CCCC1)c1cc(Cl)ccc1NC2=O 101053367 JZAKCALIRFMPLL-MSOLQXFVSA-N 333.815 3.673 0 1 EHAF O=C(N[C@@H](CCO)c1ccccc1)c1ccc(-c2ccncc2)cc1 73316145 XZVLUQDUOAWQMB-FQEVSTJZSA-N 332.403 3.602 0 1 EHAF COc1ccc(COc2cc(NCCCN)nc3ccccc23)cc1 45301271 XQKLZZICCXILKC-UHFFFAOYSA-N 337.423 3.583 0 1 EHAF c1ccc(CCNc2cc(Oc3cccc4cccnc34)ncn2)nc1 82067755 XLKCNENRYUXUHC-UHFFFAOYSA-N 343.390 3.867 0 1 EHAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C(=O)O 45392523 NWIKBYQQDVKUJB-SAPNWTSPSA-N 330.424 3.958 0 1 EHAF CC(=O)C[C@@H]1OC(=O)C=C1/C=C/c1cc(O)c(/C=C\C(C)C)c(O)c1 238773671 RSLQUXPTQHZYMB-GXINRMILSA-N 342.391 3.611 0 1 EHAF Ic1ccc(NCc2nc3ccccc3[nH]2)cc1 96922180 QHMLCJJEPMHNRI-UHFFFAOYSA-N 349.175 3.780 0 1 EHAF COc1cc(O)c2c(c1CC=C(C)C)N(C)c1c(O)cccc1[C@H]2O 95911752 UPNWVEVHYQQRAC-HXUWFJFHSA-N 341.407 3.778 0 1 EHAF biogenic,in-vitro COc1ccc(COc2ccc([C@H](C3CC3)n3cncn3)cc2)cc1 96938226 NWFDTEFHXUYRJZ-FQEVSTJZSA-N 335.407 3.865 0 1 EHAF C[C@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCC1=CC(=O)OC1 238737870 JPADNOYXVVHBCB-DYLQCGAMSA-N 330.424 3.566 0 1 EHAF C[C@@H]1CC[C@]2(C)[C@H](CCC[C@]2(C)O)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O 38928708 WKXCHFCYHPWNNL-KXEBQEOWSA-N 336.472 3.562 0 1 EHAF biogenic COC(=O)[C@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587098926 VYEYEMNOMRGXBO-HNNXBMFYSA-N 343.382 3.957 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCOC2)N1 587835494 PEJRYXSGZUSJGK-NSODJVPESA-N 342.252 3.764 0 1 EHAF CCN(CC)Cc1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587623307 PSTJQKLJPOBNJW-UHFFFAOYSA-N 335.249 3.957 0 1 EHAF CCOc1cc(-n2c(OC)cc(C)c2OC)c(Cl)cc1C(=O)O 587942090 VDYKGRQLWXSMNX-UHFFFAOYSA-N 339.775 3.553 0 1 EHAF Cc1cnc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 587082508 QUVQWYGAYRAEHC-UHFFFAOYSA-N 339.786 3.820 0 1 EHAF C[C@@]1(Cc2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586641 KXKGDCPJBHILCW-NQIIRXRSSA-N 347.370 3.750 0 1 EHAF COc1c(Cl)ccc(-c2nnc(SCCC(=O)O)o2)c1Cl 1857567838 OFGDWSRCSHKECJ-UHFFFAOYSA-N 349.195 3.619 0 1 EHAF CC(C)CN1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 19742048 ATTNYRKXHYFZJL-LJQANCHMSA-N 335.923 3.582 0 3 EHAF COc1cccc(-c2ncnn2-c2ccc(Cl)c(C)c2)c1OC 180988 PNQWNURCNXUCCB-UHFFFAOYSA-N 329.787 3.913 0 1 EHAF CO[C@]1(C)C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CC[C@H](O)[C@@]4(C)[C@H]2C=C[C@H]1C3 2356332801 JMCDUBQYQMSCGT-SZOUTTKKSA-N 348.483 3.636 0 1 EHAF CC(C)CCC[C@H](C)CCC[C@]1(C)O[C@@H]([C@H](C)O)[C@@H]([C@H](C)O)O1 2356395762 VWFGBMFJJPHJPW-XREYTECCSA-N 330.509 3.881 0 1 EHAF N=C(N)c1ccc2cc(/C=C/c3cc4ccc(C(=N)N)cc4o3)[nH]c2c1 6535072 OLRDLKHZEAEMCI-AATRIKPKSA-N 343.390 3.653 0 1 EHAF CCC[C@@H]1C[C@@H]2[C@H](CC(=O)OC)[C@H](Cc3ccccc3)C[C@@H]1N2C 100800635 NYHLSJFRSGAHTE-LTFPLMDUSA-N 329.484 3.917 0 1 EHAF Fc1cc(Br)cc2[nH]c([C@@H]3COc4ccccc4O3)nc12 116420177 WDCXUUACHBMEGY-ZDUSSCGKSA-N 349.159 3.977 0 1 EHAF Cc1ccc(-c2nc(SCC(N)=O)c3cc(Cl)ccc3n2)cc1 64479903 LKTYXRSAGBYYOS-UHFFFAOYSA-N 343.839 3.836 0 1 EHAF CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(-n2cccc2)cc1 61895684 DZUHFOVBXKRHJI-HXUWFJFHSA-N 339.439 3.597 0 3 EHAF CC[C@@H](C)c1nc2nc(N(CC)C3CCCCC3)ccc2[nH]c1=O 82231783 CTPPFIFSOQUXAW-CYBMUJFWSA-N 328.460 3.991 0 1 EHAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(Cl)c1)O3 96269848 WRKHABMMUINCRA-DIFFPNOSSA-N 346.766 3.803 0 1 EHAF Cc1cnn(C)c1-c1cc2c(c3c1CCC3)NC(C)(C)C(=O)C2(C)C 473120080 BTRXGQKMYXIYJJ-UHFFFAOYSA-N 337.467 3.935 0 1 EHAF C[C@@]1(c2cn3c(n2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587513358 CMSOFGNJJVNCET-NRFANRHFSA-N 336.435 3.979 0 1 EHAF FC(F)(F)c1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cn1 587035174 MOLBLIGXGILFBI-NSHDSACASA-N 339.342 3.895 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](c1nccn1C)(C(C)C)CC2=O 587469858 HHEVNPXGGLAXGU-LJQANCHMSA-N 328.412 3.595 0 1 EHAF Oc1ncnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 587784139 MLBJJHWBIAHXNO-FLIBITNWSA-N 344.374 3.808 0 1 EHAF O=C1CCc2cc3nc(CSCc4ccsc4)[nH]c3cc2N1 587026386 UPIQIPMEGPUEOI-UHFFFAOYSA-N 329.450 3.943 0 1 EHAF O=C(O)Cc1c(-c2cc(F)cc(F)c2)nc2cccc3c2c1CC3 587212875 LSWFUTTZQXEERM-UHFFFAOYSA-N 325.314 3.906 0 1 EHAF COc1cccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587008403 VEFMVCGRJCFFGP-UHFFFAOYSA-N 343.184 3.877 0 1 EHAF COc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cn1 586900384 IHZQNESZJLBMNZ-UHFFFAOYSA-N 349.346 3.618 0 1 EHAF CC[C@@H]1C(=O)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587817360 KSRXVAGOGXHXRB-YRXQGLPXSA-N 340.236 3.707 0 1 EHAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5O[C@H]5C)[nH]c4c3)o2)cc1 586917113 LJCKXOXEITZCHD-MGPLVRAMSA-N 348.362 3.748 0 1 EHAF COc1ccoc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587831493 XKUADCHKRPSVNS-RMLUDKJBSA-N 340.192 3.813 0 1 EHAF CCCc1sc(=N)[nH]c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587013649 VYSNHAGGYITOJX-UHFFFAOYSA-N 330.310 3.608 0 1 EHAF COc1ccc(/C=C/Cc2nc3c(Cl)ccnc3[nH]2)c(OC)c1 587928562 DEMUKYHZCKZKRQ-ONEGZZNKSA-N 329.787 3.884 0 1 EHAF CC/C=C(/NOCC)C1C(=O)CC(C[C@H](C)SCC)CC1=O 957848323 ZMUMVIYLLGLWQZ-BCVGZLKFSA-N 327.490 3.518 0 1 EHAF COc1ccccc1S(=O)(=O)/C=C/c1ccc(Cl)nc1Cl 205696336 OEAUUMWNODMMMV-CMDGGOBGSA-N 344.219 3.842 0 1 EHAF CCc1ccc(NCc2cc(O)n3nc(-c4ccccc4)nc3n2)cc1 14608967 SHTPRBRGYDBLRW-UHFFFAOYSA-N 345.406 3.671 0 1 EHAF C[C@H](NC[C@@H](O)COc1ccccc1)[C@@H](C)Sc1ccccc1 169330211 WOPAACGUGOUTPK-GVDBMIGSSA-N 331.481 3.585 0 1 EHAF CC(=O)[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)C1 2356319493 JSZXWENPVDSORI-GEIPHRJASA-N 334.500 3.710 0 1 EHAF C[C@H](C(=O)O)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 2356351265 TVEXIRVZQLABEX-IOYAZOKJSA-N 330.424 3.970 0 1 EHAF O=C(O)[C@@H]1Cc2cc3c(-c4ccc(F)cc4)noc3c(Cl)c2O1 25974981 ZBPJVMSUBNSCIQ-NSHDSACASA-N 333.702 3.675 0 1 EHAF C[C@@H](CO)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@@]4(C)[C@@H]3CC[C@]21C 27887308 VQISOTOPDCGBAH-RSWOKULTSA-N 349.515 3.924 0 1 EHAF CC(=O)O[C@H](CCc1ccc(O)cc1)CC(=O)CCc1ccccc1 70455136 ZGRUCQHBPJJURU-OAQYLSRUSA-N 340.419 3.849 0 1 EHAF biogenic,in-vitro COc1cnc(-c2ccccn2)nc1NCc1c(F)cc(F)cc1F 84687555 MSRMXMWRFIIIMJ-UHFFFAOYSA-N 346.312 3.577 0 1 EHAF CN1CCC[C@@H]1COC(=O)c1coc(-c2ccc3ccccc3c2)n1 82086440 SILTZNWBQQGOQT-QGZVFWFLSA-N 336.391 3.746 0 1 EHAF COc1ccc(-c2nnc(SCc3ccc(F)cc3)o2)c(O)c1 84619059 SZVWTOUGWSUZSG-UHFFFAOYSA-N 332.356 3.882 0 1 EHAF CC[C@@H]1CCCCN1[C@H]1Sc2ccc(C(=O)OC)cc2N=C1O 82124833 QTDWUILPNWDZMW-WBMJQRKESA-N 334.441 3.758 0 3 EHAF COC(=O)C[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccc1 95557063 BKYBNVFVCQSBEZ-IBGZPJMESA-N 334.419 3.830 0 1 EHAF c1ccc(-c2nnc(-c3ccccn3)nc2NCc2cccnc2)cc1 95571560 BDSLKDZBLCYUJX-UHFFFAOYSA-N 340.390 3.608 0 1 EHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3nccs3)cc2)C[C@H]2CC[C@H]1N2C 261187063 XUJAZHYZOMZFOS-QBPKDAKJSA-N 342.464 3.549 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(C=COc4ccc(Cl)cc41)[C@@H](C2)C3=O 587423477 ULLJCWAFWUIINW-IFXJQAMLSA-N 340.762 3.898 0 1 EHAF Cc1nc2[nH]c(C(F)(F)c3ccccn3)nc2cc1Br 587089842 ZSMJVCAJBKNHCA-UHFFFAOYSA-N 339.143 3.564 0 1 EHAF Cc1cccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585875 HBSOALCQUVVURZ-UWJYYQICSA-N 347.370 3.973 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CC[C@H]1N(Cc1ccccc1)C2 587400483 QCXHKDVRXXTSEE-AQKFKSFVSA-N 348.446 3.576 0 1 EHAF Cc1ccc2c3c(cc([C@@H]4CCCNC4=O)nc13)-c1ccccc1C2=O 587096486 KMNREIAEVNOHAN-HNNXBMFYSA-N 342.398 3.748 0 1 EHAF CC(C)Oc1cccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587652680 YTRIYOWTFHZACR-UHFFFAOYSA-N 342.782 3.526 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c[nH]cc32)N1 587791255 KPWUADWDQCQBQH-ABKXIKBNSA-N 335.220 3.640 0 1 EHAF N[C@@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@H]1c1ccccc1F 587156028 KWYKNCSHNJHWJB-AYVTZFPOSA-N 337.185 3.745 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cn3c(n2)CCCC3)N1 962952842 WAJNKKRGMSGTGD-SZNDQCEHSA-N 334.467 3.889 0 1 EHAF Cc1cc(=O)c2c(OCc3nnc(S)s3)c3ccoc3cc2o1 1857592899 FKUVLEOCFYOROE-UHFFFAOYSA-N 346.389 3.567 0 1 EHAF Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(C)c2)o1 21315 UNLDSNRPGLBJOT-UHFFFAOYSA-N 334.441 3.654 0 1 EHAF CC(=O)c1c(C)oc2cccc(NS(=O)(=O)c3ccccc3)c12 202778 QETTXPUYTDSDPV-UHFFFAOYSA-N 329.377 3.745 0 1 EHAF CC(=CC[C@@H](O)C(C)=CCO)CCC=C(C)[C@@H]1CC=C(C)C(=O)O1 2356348677 AQSHRPRBLNBKLZ-MOPGFXCFSA-N 334.456 3.611 0 1 EHAF CN1[C@H]2CC[C@@H]1[C@@H]([C@@H](O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 28762842 FSULAQVXMVICFX-VYDRJRHOSA-N 333.781 3.830 0 1 EHAF O=C(O)CSc1nc2cc(C#Cc3ccccc3)c(Cl)cc2[nH]1 118483541 CEJANWVTUAVULS-UHFFFAOYSA-N 342.807 3.793 0 1 EHAF CC(C)c1ccc(-c2ccccc2F)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26834201 KSMFJPWAYPAKQZ-HUUCEWRRSA-N 345.414 3.874 0 1 EHAF O=C1CC2(CCCCC2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27094794 PNXQGPOXCVCCJM-UHFFFAOYSA-N 331.799 3.972 0 1 EHAF Cc1ccc2nc(CO[C@@H]3CN(C4CCCCC4)C[C@@H]3F)[nH]c2c1 2356299828 OUGXUNDKYIDABE-MAUKXSAKSA-N 331.435 3.743 0 1 EHAF COc1ccc(Oc2cnn(-c3ccc(C)cc3)c(=O)c2Cl)cc1 66165886 VSMUYFRHCILEHI-UHFFFAOYSA-N 342.782 3.995 0 1 EHAF CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O 27886857 XRDHAXIOHKTIGF-JKYRMGHSSA-N 338.488 3.567 0 1 EHAF CC=C(C)C(=O)O[C@@H]1[C@@H]2CO[C@H](O)[C@@H]2[C@]2(C)C(C)(C)CCC[C@]12C 2356680144 WYCGITBNEASEQG-LIHUTXLRSA-N 336.472 3.682 0 1 EHAF Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)c1 64744246 JVYPSLPLMFVFFX-UHFFFAOYSA-N 346.478 3.828 0 1 EHAF in-vitro Cc1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1 49088250 IKUGJXMVNHPWSN-UHFFFAOYSA-N 334.347 3.561 0 1 EHAF Cc1ccc(N2CCn3c(COc4ccc(Cl)cc4)nnc32)cc1 40864583 FRLONHJRHOUZIN-UHFFFAOYSA-N 340.814 3.971 0 1 EHAF CNC(=O)c1cc(N(C)c2ccc(OC)cc2)cc(C(F)(F)F)c1 96910977 SXLFBMRIJWONFS-UHFFFAOYSA-N 338.329 3.842 0 1 EHAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@](C)(O)[C@@]12C 257463208 KGZOYCGNWWQQRH-TURHSZPXSA-N 346.423 3.892 0 1 EHAF Nc1ccnc2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc12 587164038 VRGKONYTYGOMQP-UHFFFAOYSA-N 332.338 3.577 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1C(C)C)CC2=O 587474750 HQBJNQXQTMZLNU-KRWDZBQOSA-N 328.412 3.908 0 1 EHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc4ncccc4c3[nH]2)cc1 587938122 SRSLUOXSPAUQAR-BLVKFPJESA-N 333.391 3.957 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(C)nc(C)cc2[nH]1 586916376 LRHRMDWBVIUPFG-YWZLYKJASA-N 335.407 3.791 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc([C@H]3CCCO3)s1)O2 587412738 KMQKWFQBEZTYMU-ZIAGYGMSSA-N 330.409 3.592 0 1 EHAF O[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C1CCOCC1 586912762 GNMJNNBUZHAUIS-GFCCVEGCSA-N 334.725 3.695 0 1 EHAF O=C(O)C[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989968 HBZNVZBCNQNSGJ-SNVBAGLBSA-N 345.354 3.656 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N)c2)N1 587748166 VLHCOBIJADCCIS-DYZYQPBXSA-N 349.247 3.968 0 1 EHAF CN(C)c1ccc(NC(=O)Cc2cc3c4c(cccc4n2)CC3)cc1 587214077 VWGSZFYYBPBLCV-UHFFFAOYSA-N 331.419 3.581 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(F)F)O2 587382191 JXZLFXLFHCNCHY-INIZCTEOSA-N 333.334 3.928 0 1 EHAF O=C(O)c1cccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587077556 WHHDFABPAHTYOC-AWEZNQCLSA-N 341.754 3.532 0 1 EHAF CCCc1c(O)ccc2c1O[C@](COC)(c1ccccc1)CC2=O 587477617 DFSNXEZNHFIPQD-HXUWFJFHSA-N 326.392 3.852 0 1 EHAF C[C@H](NC(=O)OC(C)(C)C)[C@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963108410 PCNRITQCQQFICE-GQWAEJPESA-N 348.462 3.975 0 1 EHAF CC[C@@H]1CN(Cc2ccc(COC)o2)Cc2cc(OC)ccc2O1 11789119 HYDVPNBSLQCELW-OAHLLOKOSA-N 331.412 3.608 0 1 EHAF COc1ccc2c(c1)C[C@H](CNC[C@@H](O)c1cccc(Cl)c1)CC2 13892623 PYINOBOAVYEMER-JLTOFOAXSA-N 345.870 3.777 0 1 EHAF C[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1 14967353 YAQFNSNOLMJAPU-SECBINFHSA-N 338.329 3.544 0 1 EHAF Cc1cc(=N)[nH]c2cc(-c3ccc(OCC4CC4)c(CN)c3)ccc12 1857551719 YJCSKOOAQMAARS-UHFFFAOYSA-N 333.435 3.870 0 1 EHAF O=C(O)CCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 4130620 YUGLDJHKLOBIPP-UHFFFAOYSA-N 337.404 3.772 0 1 EHAF CC(C)(C)N(Cc1ccoc1)C(=O)/C=C\[S@](=O)c1ccccc1 6009943 MKDWGGNLDHEQMB-GCFNWXKCSA-N 331.437 3.728 0 1 EHAF O=C(NC[C@@H](c1ccccc1)n1ccnc1)c1cc2ccccc2o1 53229829 IIVYMYBROOALQO-KRWDZBQOSA-N 331.375 3.649 0 1 EHAF CN(C)CC[C@@]1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)N1C 53230030 MMLGMCUJTBWIHA-FQEVSTJZSA-N 342.870 3.815 0 1 EHAF CCCCOc1ccc(/C=C(\[C@H](O)C(C)(C)C)n2cncn2)cc1 27424780 KFNRMSKQSRWLEC-WQJNHMDYSA-N 329.444 3.862 0 1 EHAF C[C@@H](C=C[C@@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@]3(O)CC[C@]21C)C(C)(C)O 2356391172 SHUNDKCHHXBLQQ-QTYRMCGHSA-N 348.483 3.584 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C[C@]2(C)CC[C@H](C(C)C)[C@]2(O)CC[C@@]1(C)O 2356631903 SARMJLPHTLNPQI-SCQOQHIRSA-N 338.488 3.603 0 1 EHAF CC[C@H](C)NC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1 82133242 JWLLOHNFQSHXHU-HNNXBMFYSA-N 340.471 3.764 0 1 EHAF Cn1cc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 143273961 QVJJBCYFQPYLFU-QGZVFWFLSA-N 330.309 3.866 0 1 EHAF CC(=O)C(C)(C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587806831 BDOLYJXSACVKQV-ABKXIKBNSA-N 342.252 3.953 0 1 EHAF COc1cc2c3c(c1)O[C@H](C(C)(C)CN1CCCCCC1)[C@@H](C2)C3=O 587444990 SWSFJXMUKNXNBV-JXFKEZNVSA-N 343.467 3.713 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccncc3)s1)O2 587414798 WBMBVPDWECYILQ-OAHLLOKOSA-N 337.404 3.802 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1O 587607289 HNNZBXSFGWBFDU-FXAWDEMLSA-N 334.327 3.801 0 1 EHAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)no1 587797774 TWIVHBLRVLBINE-NXSYQRQQSA-N 325.181 3.508 0 1 EHAF CNc1cc(Cl)ccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587067251 PUNRTTXSQMGLDR-UHFFFAOYSA-N 327.697 3.685 0 1 EHAF COc1ccc(C=O)cc1-c1nc2cc(F)cc(Br)c2[nH]1 587786382 GLBJIXMIAIPUDQ-UHFFFAOYSA-N 349.159 3.953 0 1 EHAF Cc1ccc2c3c(cc([C@]4(F)CCOC4=O)nc13)-c1ccccc1C2=O 586995004 HEDFTRQZEKOZDF-OAQYLSRUSA-N 347.345 3.866 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCSC2)[C@H]1c1ccc(F)cc1 587376770 YAYXXZHDGVEJMU-WMZOPIPTSA-N 330.380 3.766 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2[C@@H]1CC(C)(C)CCC1=O 963642651 ZCHSBUYWTUGIIT-BBEJJTJUSA-N 331.456 3.675 0 1 EHAF Cc1ccc(-c2ncnc(Nc3ccc4c(N)noc4c3)c2O)cc1 115619158 APDXEBKZUQPVFS-UHFFFAOYSA-N 333.351 3.625 0 1 EHAF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccco2)O[C@@H]1c1cccnc1 13740458 PGLLRZHYBMXBPA-BDTAUHQASA-N 343.379 3.889 0 1 EHAF CC1(C)C=Cc2c(ccc3c2O[C@H](O)[C@@H]2c4ccc(O)cc4O[C@@H]32)O1 14954409 YTPKRSILLIAZAA-NEWSRXKRSA-N 338.359 3.505 0 1 EHAF biogenic CC[C@H]1CCCCN1C(=O)c1ccc(C)nc1NCc1ccco1 169030883 YMPNVQHSKYQQOW-HNNXBMFYSA-N 327.428 4.000 0 1 EHAF COc1ccc2c(c1)CCN(CC[C@@H](F)Cc1ccccc1)C[C@H]2O 1857572191 QOXHLGKIGZMADX-WIYYLYMNSA-N 343.442 3.558 0 1 EHAF CC(C)CCC[C@H](C)CCCC1(C)O[C@H]([C@H](C)O)[C@@H]([C@H](C)O)O1 2356395760 VWFGBMFJJPHJPW-NNPSNHGLSA-N 330.509 3.881 0 1 EHAF Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(C)cc2C)cc1 8662581 YIACXDJAYHXHHZ-UHFFFAOYSA-N 348.406 3.840 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3c(O)cccc3CC[C@H]21 100620770 SBYWPYQCUMRVQD-IEBWSBKVSA-N 346.430 3.985 0 1 EHAF CCCCC[C@@H](O)c1cccc(OCc2cccc(C(N)=O)c2)c1 25988120 ATTWUVZKYNMXCC-LJQANCHMSA-N 327.424 3.978 0 1 EHAF CCC=CCC=C[C@H](O)C=CC=C[C@H](O)CC=CCCCC(=O)O 2356312532 FDYMHNXREDVQBG-RBUKOAKNSA-N 334.456 3.934 0 1 EHAF Nc1c(CC(=O)O)cccc1C(=O)c1ccc(-c2ccccc2)cc1 28771454 ISACTQCGDUSSFW-UHFFFAOYSA-N 331.371 3.794 0 1 EHAF CSc1ccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)cc1 26189394 SNMHQOWHOHBTBP-UHFFFAOYSA-N 335.436 3.519 0 1 EHAF CC[C@@H]1CN2CCc3c([nH]c4cc(OC)ccc34)[C@@H]2C[C@@H]1CCO 13459094 CAPOXAFTSMHBKG-TYILLQQXSA-N 328.456 3.504 0 1 EHAF biogenic COc1ccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2c1 71294976 YTSDNPLOCDVGNB-UHFFFAOYSA-N 333.395 3.818 0 1 EHAF in-vitro CCOc1cccc2c1O[C@@H](c1ccc(OC)cc1)C([N+](=O)[O-])=C2 96922349 FGFIQPKEABTBLS-KRWDZBQOSA-N 327.336 3.845 0 1 EHAF CC(=O)Nc1nc(C)c(-c2cnc(Sc3cccnc3)o2)s1 95558875 CQBDXUUNIGWBDT-UHFFFAOYSA-N 332.410 3.611 0 1 EHAF Cc1cccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)c1 95581170 RVLCXZRBEWKJTF-UHFFFAOYSA-N 344.374 3.548 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 95584239 QIVOTMOKECOCJC-YNZIABKRSA-N 334.500 3.566 0 3 EHAF in-vitro CCCc1c(O)ccc2c1OC1(CC2=O)CC(C(=O)OC(C)(C)C)C1 587483625 LHUJCKHAZCTHRT-UHFFFAOYSA-N 346.423 3.800 0 1 EHAF COc1ccc2c(c1)CCC=C2Cc1nc2nc(Cl)c[nH]c-2n1 587935741 UXRWDZKBWPYWLL-UHFFFAOYSA-N 326.787 3.539 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1C)[C@@H](C2)C3=O 587430389 DZJRLPCTECZVEU-HRAATJIYSA-N 346.386 3.678 0 1 EHAF C[C@@]1(c2nc3cc(F)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173829 JWAQPVKCIWUKLF-KRWDZBQOSA-N 332.281 3.609 0 1 EHAF Cc1ccc(-c2nc(-c3nc4cccc(C(=O)O)c4[nH]3)cs2)o1 587017234 TUMMOPSKESQPOF-UHFFFAOYSA-N 325.349 3.953 0 1 EHAF Clc1cncc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006721 NYWJALJNIQWXJR-UHFFFAOYSA-N 348.591 3.689 0 1 EHAF Cc1nccc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc12 587042720 LFYMANHKMUJFEX-ZDUSSCGKSA-N 344.827 3.575 0 1 EHAF COc1ccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c(F)c1 587148241 FWSXHUQAJQNNBQ-UHFFFAOYSA-N 325.265 3.715 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1nc(C(C)(C)C)no1)CC2=O 587483380 MFAQHVHAZYLBHF-AWEZNQCLSA-N 330.384 3.732 0 1 EHAF Clc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cn1 587008600 ZEWAFFWSONJHQK-UHFFFAOYSA-N 348.591 3.917 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccccc1 587602968 LXLAENWIIPMAEJ-MOPGFXCFSA-N 332.355 3.965 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1OC)[C@@H](C2)C3=O 587418776 AYJIBJROMSMIKI-BBATYDOGSA-N 330.767 3.846 0 1 EHAF CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587234638 HMTJCWJMDKZYFG-RYUDHWBXSA-N 348.431 3.689 0 1 EHAF COc1ccc([C@H]2NCCc3c(OC)ccc(Cl)c32)c(OC)c1 963256805 FTKHSSPUNOBNTK-GOSISDBHSA-N 333.815 3.601 0 1 EHAF Fc1cccc2c1[C@](C1=COCC1)(C(F)(F)F)N1CCC[C@H]1C2 963113324 QUSVBFHROSXHIX-XJKSGUPXSA-N 327.321 3.908 0 1 EHAF Cc1cc([C@]2(C(F)(F)F)NCCc3ccc(O)cc32)ccc1F 963329582 OYWHDSKMNSRYAE-INIZCTEOSA-N 325.305 3.791 0 1 EHAF C[C@@H]1C[C@@H](NC(=O)c2cccc(-c3cccc(Cl)c3)n2)CCO1 207727671 OVABTRALKDLHGA-DOMZBBRYSA-N 330.815 3.699 0 1 EHAF O=C(NCc1ccc(Br)cc1)Nc1cccc2[nH]ncc12 14973791 ZIPJPAPIQFYGTJ-UHFFFAOYSA-N 345.200 3.647 0 1 EHAF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2C(=O)C1CC1 169317544 FQRZCRXBDQPXBP-AECOYVPUSA-N 347.458 3.881 0 1 EHAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(C)c(Cl)c1 169359950 AVKXQSPVMFIMNB-JOHGSPOWSA-N 331.843 3.688 0 1 EHAF C[C@H]1CCCN1[C@@H]1CC[C@H](c2ccc(NS(=O)(=O)C3CC3)cc2)C1 204263129 FJXIKHZXCRQFMM-QILLFSRXSA-N 348.512 3.711 0 1 EHAF CCN1CCN(CC)[C@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 22925810 OIBQWAYHWVPSPQ-BGYRXZFFSA-N 326.440 3.538 0 1 EHAF CCOC(=O)c1ccc(-c2cnc(C)nc2NC2CCCC2)cc1 28824771 FZVLFPDJOKHWAG-UHFFFAOYSA-N 325.412 3.983 0 1 EHAF CCCCNC(=O)c1sc2ncnc(N3CCC(C)CC3)c2c1C 2924518 MKVDBOPOYMNJTJ-UHFFFAOYSA-N 346.500 3.766 0 1 EHAF O=C(c1ccc(F)cc1)N1[C@@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 101627834 YGMGLZNQTZCQPI-QZTJIDSGSA-N 343.373 3.620 0 1 EHAF CN1CC[C@H]2[C@@H](NC(=O)c3ccc(C(F)(F)F)cc3)CCC[C@H]2C1 26183611 VAZHUCJZNBKCDN-IMJJTQAJSA-N 340.389 3.556 0 1 EHAF Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2C(=O)O)nc1C 103233798 SYQWKHIXWNHJAX-UHFFFAOYSA-N 338.285 3.668 0 1 EHAF CC[C@@]1(C(=O)NCCc2csc(Cl)n2)[C@@H](C)C1(Cl)Cl 103297033 YNYVLOCZMDJTPN-HQJQHLMTSA-N 341.691 3.675 0 1 EHAF CC(=O)O[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@H]21)[C@@H](C)C3=O 2356587365 IJGZHMHIRCHAKC-XVTXMPLKSA-N 348.483 3.501 0 1 EHAF CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 29569675 BPOCDMGUGDXGFA-UHFFFAOYSA-N 338.430 3.730 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CN(Cc1ccco1)Cc1ccco1 2356870988 XVYMYFVGEPSAIM-FGTMMUONSA-N 328.456 3.995 0 1 EHAF Cc1cc(C2CC2)c([C@@H](O)c2nc3ncc(C#N)cc3[nH]2)c2cc[nH]c12 219493169 PMUUEKUKEOLSBU-GOSISDBHSA-N 343.390 3.578 0 1 EHAF COc1cc(-n2ncnc2-c2cccc(Cl)c2)cc(OC)c1OC 49114679 ALWVXXTZMTYGBW-UHFFFAOYSA-N 345.786 3.614 0 1 EHAF O=C(C[P@@](=O)(O)OCc1ccccc1)c1nc2ccccc2s1 40935501 DLWSIRXZPUVQHM-UHFFFAOYSA-N 347.332 3.881 0 1 EHAF CC1=CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@]12CC[C@@](C)(CC(=O)O)O2 85694540 DJSOIWVYQLXAFK-ONSCTEFMSA-N 336.472 3.924 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3nc(O)[nH]c3c1)CC2=O 587485841 RIPNGCLGAIFGEX-QGZVFWFLSA-N 338.363 3.633 0 1 EHAF OCC12CCC(c3nc4c(Cl)c(Cl)cnc4[nH]3)(CC1)CC2 586895538 LRZANTHYWWPYHN-UHFFFAOYSA-N 326.227 3.849 0 1 EHAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(Cl)ncc3[nH]2)n1 587119354 SWVGJYRAYQBTOM-UHFFFAOYSA-N 341.724 3.752 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccnc1OC(C)C)O2 587394293 SXIHDMQOSZPIHO-IBGZPJMESA-N 326.396 3.640 0 1 EHAF CC(=O)[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991110 INGBROSHYQLMQF-NSHDSACASA-N 329.355 3.771 0 1 EHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(O)cc3[nH]2)c1 587241743 IHRZERFAAYGXSO-UHFFFAOYSA-N 341.367 3.988 0 1 EHAF Fc1cccc2c(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)n[nH]c12 587176453 KRCFOYLGIGQIFU-UHFFFAOYSA-N 332.241 3.567 0 1 EHAF O=C(c1nnc(-c2ccccc2)o1)n1nc2cc1Oc1ccc(F)cc1-2 587876088 YSICNGRPCWADAT-UHFFFAOYSA-N 348.293 3.533 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCCO2)N1 587832856 LFGVVSGSHXRHFE-DDHOLCJHSA-N 328.225 3.733 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cncnc4)cc1)[C@@H](C2)C3=O 587435046 BCIOAKFKOKSHCG-LAUBAEHRSA-N 344.370 3.641 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(F)c1O)[C@@H](C2)C3=O 587422012 BPPZCOMMCNGGRQ-BTDLBPIBSA-N 334.730 3.682 0 1 EHAF C[C@@]12CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]1O2 586989934 AURVUMHYODXXFB-LEWJYISDSA-N 329.355 3.928 0 1 EHAF C[C@H]1CCC[C@@H](NC(=O)CSc2ncnc3ccccc23)[C@@H]1C 5505315 HQZJLACXBCOYLB-GZBFAFLISA-N 329.469 3.663 0 1 EHAF Cc1cccc(C(=O)c2ccnc(NCc3ccc(C(=N)N)cc3)c2)c1 13165430 MBJYEMUMDMGQQC-UHFFFAOYSA-N 344.418 3.517 0 1 EHAF in-vivo COc1cccc(C2=CC[C@H](N3CCN(c4ccccn4)CC3)CC2)c1 13470695 DQBQKYJWMSLVPS-FQEVSTJZSA-N 349.478 3.848 0 1 EHAF C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(C=O)cc3)cc2)C1=O 169717828 JAVMDZBXQKOBNG-RBZFPXEDSA-N 338.428 3.946 0 1 EHAF Cc1cc(=O)n(CCOc2ccc3c(c2)Nc2ccccc2S3)[nH]1 169721423 GOLXERNYZQTLJN-UHFFFAOYSA-N 339.420 3.772 0 1 EHAF CCc1c(-c2ccc3c(cnn3C)c2)c[nH]c(=N)c1-c1ccc(O)cc1 1857638492 LYXWGAYLUFGHSW-UHFFFAOYSA-N 344.418 3.983 0 1 EHAF CCOc1ccccc1N(C)C(=O)NCc1noc2ccccc12 8589294 GCWZZPDXTJBBQC-UHFFFAOYSA-N 325.368 3.573 0 1 EHAF CCOC1(OCC)[C@H]2c3c(O)cccc3[C@H]([n+]3ccccc32)C1(C)C 27517563 NFUOQTJOVHTHFE-MOPGFXCFSA-O 340.443 3.524 0 1 EHAF Cc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)[C@H](C)CNC3=O 28901960 HWBJYDRREYKVIL-GFCCVEGCSA-N 333.391 3.576 0 1 EHAF NC(=O)Nc1ccc(-c2ccc(Br)c(F)c2)cc1F 28712012 SKBUTANQYXWCNX-UHFFFAOYSA-N 327.128 3.885 0 1 EHAF in-vivo COC(=O)[C@]12C=C[C@@H]1[C@@H]1[C@](O)(CC[C@H](C)[C@@]1(C)CCc1ccoc1)C2 2356587948 DIESKYKUAGQRNF-ZSRRYNJHSA-N 344.451 3.745 0 1 EHAF O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CCCC1 66077319 UEBJAZCBAZVERF-UHFFFAOYSA-N 334.379 3.927 0 1 EHAF Fc1c(F)c(F)c(CSC2=N[C@H]3C=CC=CC3=N2)c(F)c1F 28644633 HJJCGCKDFLXRPI-ZETCQYMHSA-N 330.281 3.921 0 1 EHAF CC(F)(F)c1[nH]nc2cc(NC(=O)NCc3ccc(F)cc3)ncc12 219773381 RTZIBZFGJPIAHN-UHFFFAOYSA-N 349.316 3.530 0 1 EHAF Nc1ncc(-c2ccc(-c3ccccc3-c3cnccn3)cc2F)cn1 224751764 QXFWLQBNUYXVLW-UHFFFAOYSA-N 343.365 3.989 0 1 EHAF CC(C)=Cc1ccc2[nH]nc(-c3cc(N4CCO[C@H](C)C4)ncn3)c2c1 225558939 FSOFPVISRMYMGI-CQSZACIVSA-N 349.438 3.668 0 1 EHAF CCCCCNc1ncnc2c1nc(C(C)C)n2C[C@H]1CCCO1 82222751 CDYDNBUIOIMUDA-CQSZACIVSA-N 331.464 3.731 0 1 EHAF C[C@H](CO)CCC[C@](C)(O)CCC[C@@H](C)CCC(=O)[C@@H](C)CCO 144555464 KVWYIWRSDKQRFM-DOADOZAASA-N 344.536 3.710 0 1 EHAF in-vitro CN1CC[C@@H](C(=O)c2cncc(-c3cc(Cl)ccc3Cl)c2)C1=O 653726398 QBTAQXNJOPSGCH-ZDUSSCGKSA-N 349.217 3.716 0 1 EHAF COc1cc2cncc(Cc3ccc4cccc(N)c4n3)c2cc1OC 145155955 IMGHCWNIUHZSGH-UHFFFAOYSA-N 345.402 3.973 0 1 EHAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Cl)nc(Cl)c4[nH]1)(C3)C2 587970022 XCKASVZBSXOBNS-BTBJQWHKSA-N 336.222 3.912 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CN1CCCCCC1)CC2=O 587475533 OWTFOZAVUNBAGJ-FQEVSTJZSA-N 331.456 3.945 0 1 EHAF CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccccn1 587650908 HJGGKBNLUOPQIU-UHFFFAOYSA-N 328.437 3.931 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(Cl)cc1F)[C@@H](C2)C3=O 587423920 LIPPTLKQBQHXGY-VOJFVSQTSA-N 348.757 3.985 0 1 EHAF Cc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587587672 NXRGCNWHKRQDFF-RXVVDRJESA-N 347.370 3.973 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(F)c(F)cc41)[C@@H](C2)C3=O 587427050 GNILXZPCSKEMCV-ORAYPTAESA-N 328.314 3.563 0 1 EHAF C[C@@]1(c2cccc(NC(=N)N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509525 DGXWFPAVRISWCL-NRFANRHFSA-N 349.434 3.751 0 1 EHAF COC(=O)[C@H]1CC[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587523460 IZXIWMPVGPMRHK-SPYBWZPUSA-N 342.435 3.879 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C[C@@H]1N=O 587470916 WXDGDUWXGIZBBP-ICSRJNTNSA-N 337.375 3.897 0 1 EHAF CCO[C@@H]1C[C@]2(NCCc3cc(C)c(F)cc32)[C@@H]1Oc1ccccc1 962148261 SKBDVBUOAJATLN-NJDAHSKKSA-N 341.426 3.732 0 1 EHAF Cc1cc(C)c(CNC(=O)c2cccc(OC(C)C)c2Cl)c(O)n1 1772577669 JSDDUMHBUFOBAZ-UHFFFAOYSA-N 348.830 3.775 0 1 EHAF CNC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCCC1 13588406 JVKAAONZEZMOCF-UHFFFAOYSA-N 334.423 3.963 0 1 EHAF CCOC(=O)CCCN1C=C2c3ccccc3CCC[C@@H]2CC1=O 103297177 QABCUJZRPKZTTM-MRXNPFEDSA-N 327.424 3.556 0 1 EHAF CC[C@@]1(C(=O)NCCc2csc(Cl)n2)[C@H](C)C1(Cl)Cl 103297030 YNYVLOCZMDJTPN-CPCISQLKSA-N 341.691 3.675 0 1 EHAF Cc1ccc(NC(=O)c2c(NO)cc(-c3ccccc3)oc2=O)cc1 103241649 JUGYOYBTJABFNJ-UHFFFAOYSA-N 336.347 3.669 0 1 EHAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nc(C)co1 26675477 GFQRZQHOEWQFQP-UHFFFAOYSA-N 337.401 3.773 0 1 EHAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CCC(=O)[C@@]2(C)O 2356536720 QYIZGTJBQCOHKV-CDVRBXHHSA-N 334.500 3.710 0 1 EHAF NN(CCc1ccccc1)c1nnc(-c2ccccc2Cl)s1 26381587 NWLXINATOTZBOQ-UHFFFAOYSA-N 330.844 3.781 0 1 EHAF COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1Br 27988967 SKKNNUBLAVPFTG-UHFFFAOYSA-N 347.164 3.937 0 1 EHAF CCCCCC[C@H](C(=O)O)n1cnc(NC(=O)c2ccccc2)c1 27520751 VQFGLWIDQKVQBQ-OAHLLOKOSA-N 329.400 3.732 0 1 EHAF COc1cc(C[C@@H](C)[C@H](C)C(=O)c2ccc3c(c2)OCO3)ccc1O 14646506 ZKPRUPNPBRCANP-OLZOCXBDSA-N 342.391 3.827 0 1 EHAF biogenic CCn1c(C(=O)NCc2ccc(OC)c(OC)c2)cc2sccc21 40786589 SQQDAXSDCJKENR-UHFFFAOYSA-N 344.436 3.670 0 1 EHAF Cc1ccc(S(=O)(=O)N2CCC=C(c3ccccc3)CC2)cc1 42892441 YROYBJPCVGFKQK-UHFFFAOYSA-N 327.449 3.863 0 1 EHAF CCCc1cc(=O)oc2cc(OC)c(C(=O)CC(C)C)c(OC)c12 45202561 YKKORAGULXLZGE-UHFFFAOYSA-N 332.396 3.992 0 1 EHAF O[C@H](COCc1ccc(-c2ccccc2)cc1)CN1CCCCC1 45301430 MUFRWNDLHBQCLD-NRFANRHFSA-N 325.452 3.717 0 1 EHAF CCCC[C@H](CC)C[C@](O)(/C=C(/CC)[C@@H](O)CC(=O)OC)CC 95590642 PVKQNBZAJBAVBB-VWDVMUFOSA-N 328.493 3.994 0 1 EHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C(C)(F)F)c2cn1)c1ccccc1 261187618 XZOPPCJURLTVHP-SNVBAGLBSA-N 345.353 3.952 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccn2)N1 587733444 RJPNSLQJQHJSHC-ANRSDYALSA-N 339.183 3.746 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCN(C)C)N1 587739480 HHLHFHQTUBLCSK-MEDUHNTESA-N 343.284 3.679 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ncccc1C)O2 587388737 ANIPETJDRUIBFP-GOSISDBHSA-N 333.391 3.778 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc(Cl)cn1)CC2=O 587459487 CUEOHYPMEWRWBR-KRWDZBQOSA-N 332.787 3.669 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)nn(C(C)C)c1C)[C@@H](C2)C3=O 587431135 IMNAYDXHTPCDKG-MGPUTAFESA-N 340.423 3.752 0 1 EHAF CN(C)/C=C/[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508238 AGBOMXUAEICNJX-SDNYCIMKSA-N 348.446 3.896 0 1 EHAF CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(CC)CC 587442166 KGVDTZNVBPRSFU-AKCHCHLHSA-N 330.424 3.797 0 1 EHAF O=C1C[C@@]2(CCOc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 587536819 WWVRMSAGTANIGF-OAQYLSRUSA-N 336.387 3.914 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(O)(c3ccccc3)CC1)O2 587405998 ZWTDQABTWNAINI-UHFFFAOYSA-N 337.419 3.743 0 1 EHAF COC(=O)c1cccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587080796 PUEZKJVNLNZOSE-AWEZNQCLSA-N 328.755 3.679 0 1 EHAF CCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587526979 SNORIBDESLAWOW-QFIPXVFZSA-N 347.414 3.941 0 1 EHAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(Cl)ccnc2[nH]1 587233889 WIMQFXLFHGDSRS-ONGXEEELSA-N 336.823 3.772 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O)cc1Cl)[C@@H](C2)C3=O 587420270 HLTIFOPWAALVSX-BBATYDOGSA-N 346.766 3.552 0 1 EHAF COC(=O)C[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587528059 YXGTVOVIVWOSLO-VLIAUNLRSA-N 328.408 3.633 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)cn1)CC2=O 587487827 OHELPYBWAILIHK-LJQANCHMSA-N 327.380 3.629 0 1 EHAF Cc1ccnc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc12 587043564 RYUKLTAWVJYWHU-GFCCVEGCSA-N 344.827 3.575 0 1 EHAF O=C1c2ccccc2-c2c(C[C@@H]3CCCO3)cnc3ccc(O)c1c23 586992868 ZFVIOZXKUKRSBB-ZDUSSCGKSA-N 331.371 3.873 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnn(-c3ccccn3)c2)N1 962946884 MDEXQGFRNKNUIU-QRWLVFNGSA-N 343.434 3.762 0 1 EHAF CC1(C)[C@@H]2OCC[C@@H]2[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961314785 ANLXIWRJICEZRB-JOQOYGCGSA-N 348.284 3.768 0 1 EHAF Oc1cccc(C2C[C@H]3CC[C@H](C2)N3C[C@H](O)Cc2ccccc2)c1 1772645840 QOOMWRCPEQBILM-KCZVDYSFSA-N 337.463 3.706 0 1 EHAF Cc1cc(C)c(C[S@](=O)c2nc3cc(Cl)ccc3[nH]2)nc1C 13603911 SNZFTTBUGOTTEW-JOCHJYFZSA-N 333.844 3.844 0 1 EHAF COc1ccc2c3c([nH]c2c1)C[C@H]1C[C@]3(c2cccc(O)c2)CCN1C 13755996 OLISSJIVMPYVMP-NYHFZMIOSA-N 348.446 3.819 0 1 EHAF O=C(O)COc1c(C(=O)O)sc2c1sc1cc(Cl)ccc12 14955024 NPAJBLMLSYKINB-UHFFFAOYSA-N 342.781 3.931 0 1 EHAF CC(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3)CC2)CC1 14977323 VDYFCXBEFJDRLQ-UHFFFAOYSA-N 328.500 3.720 0 1 EHAF COC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@]12C 169309951 SZAGBXYCBORFKQ-MKIYOBANSA-N 334.456 3.581 0 1 EHAF COc1ccc(-c2cn(CC(=O)c3ccc(F)cc3F)cn2)cc1 1857535749 DHSNUXXRFSDOTG-UHFFFAOYSA-N 328.318 3.720 0 1 EHAF CC=C1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OCC)cc12 1857566313 OGXNQEHSOWXPCJ-ONGXBYRLSA-N 338.451 3.707 0 1 EHAF CCCCC[C@@H]1C=C[C@H]2[C@H](O)CC(=O)[C@@H]2CC=CCCCC(=O)O1 253632388 BJXHXZDHQUYRMA-YWTNHNAXSA-N 334.456 3.731 0 1 EHAF NS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(F)cc2)cc1 3814661 JAQSXADRWSRLBT-UHFFFAOYSA-N 327.380 3.807 0 1 EHAF CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CC(C)C)nc3n2)C1 3955141 LBBIKZDEZKCWBB-KGLIPLIRSA-N 328.460 3.532 0 1 EHAF CC(C)CCNC(=O)[C@H](C)N1C(=O)CC(C)(C)Sc2ccccc21 6820357 LNIYQLQCDXKBIM-AWEZNQCLSA-N 348.512 3.845 0 1 EHAF COc1ccc(C(=O)c2c(C)n(C[C@@H]3CCCN3)c3ccccc23)cc1 26272632 PKKDOWVHCTXUNP-KRWDZBQOSA-N 348.446 3.941 0 1 EHAF COC(=O)[C@H](c1ccc2cc(Br)ccc2c1)[C@@H]1CCCN1 29481935 CEWOEUHWHFEXBY-JKSUJKDBSA-N 348.240 3.611 0 1 EHAF CC1(C)CCC[C@@]2(C)[C@@H]3C=C4C(=CC(=O)O[C@H]4O)O[C@@]3(C)CC[C@H]12 2356582917 CEALEKGWMIZUGO-XCVIRLNASA-N 332.440 3.703 0 1 EHAF COc1ccc2c(c1OC)NC13CCC4(CCCN5CC[C@@]21[C@@H]54)CC3 14857201 CUWCJMATGRBAQN-HAMDTZRPSA-N 340.467 3.548 0 1 EHAF biogenic Cc1cccc(S(=O)(=O)Oc2cccc(C3CCNCC3)c2C)c1 45484415 PHVKEIVXUCGJBI-UHFFFAOYSA-N 345.464 3.538 0 1 EHAF c1ccc(Cn2cc(CSc3nnc(C4CCCC4)o3)nn2)cc1 95872106 HDDBUBDENNMBSF-UHFFFAOYSA-N 341.440 3.659 0 1 EHAF COc1ccc(Br)cc1-c1oc2ccccc2c(=O)c1O 96923911 SFEKGCXMSMPMHH-UHFFFAOYSA-N 347.164 3.937 0 1 EHAF C[C@H](Nc1nc(-c2cccc(C(=O)O)c2)cnc1N)c1ccccc1 96284830 STCDDFFHVOKLJM-LBPRGKRZSA-N 334.379 3.597 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn([C@@H](C)OCC)c1)CC2=O 587479083 YGUQZKNXWONHRH-KZULUSFZSA-N 344.411 3.803 0 1 EHAF O=C1c2ccc(O)cc2O[C@@]2(CCCCC2=O)[C@H]1c1ccc(F)cc1 587351538 KDCYUVLZJZCTKH-AZUAARDMSA-N 340.350 3.772 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cccnc2)N1 587775842 AGMMFPBOXKJKKD-APPDUMDISA-N 349.247 3.975 0 1 EHAF O=C1c2ccoc2CC[C@H]1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 586907495 MBYNARDQCVWUAD-ZETCQYMHSA-N 336.178 3.846 0 1 EHAF C[C@@H]1Nc2ccccc2C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527077 SWAQJCSFLNDFEI-WHEQGISXSA-N 347.414 3.966 0 1 EHAF CCn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2N2CCOCC2)cn1 587632538 ZDELQQMCABECNQ-UHFFFAOYSA-N 348.809 3.680 0 1 EHAF CCCCn1nc([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1C 963609531 NMHCZOORHDWMTN-ZUOKHONESA-N 343.471 3.632 0 1 EHAF COc1ccc2c(c1OC)[C@]1(CC(C)(C)OC1(C)C)N(C)[C@@H](C)C2 962625232 LSRWRIQOAZEMOS-RBZFPXEDSA-N 333.472 3.753 0 1 EHAF COCCN1CC[C@H]2CC(=O)[C@H](Cc3ccccc3)[C@H]3CCC[C@@H]1[C@H]23 1772592478 SWGQUHGWQUPGLK-SXEONFLVSA-N 341.495 3.571 0 1 EHAF CN1CCC([C@]2(O)c3ccccc3CSc3sccc32)CC1 5510091 RBIZGRHTTSFDPW-SFHVURJKSA-N 331.506 3.932 0 3 EHAF O=c1cc(N2CCOCC2)oc2c(/C=C/c3ccccc3)cccc12 13677202 OLQGOHPEAUHNBE-MDZDMXLPSA-N 333.387 3.800 0 1 EHAF in-vivo CC1=C2CC/C(C)=C\CC[C@](C)(O)[C@@H](O)CC/C(C)=C/[C@@H]2OC1=O 169315251 KISXSEZMRISOQB-YYCAYHKYSA-N 334.456 3.587 0 1 EHAF C[C@]1(O)C[C@H](C2=CC=CC=CC=C2)c2c(c3ccccc3oc2=O)O1 1857621399 LMJHSJCEICXGOL-IIBYNOLFSA-N 334.371 3.976 0 1 EHAF COP(=O)(OC)C(CCc1ccccc1)P(=O)(OC)OC 29224935 ROINVBSQLPQPRZ-UHFFFAOYSA-N 336.261 3.917 0 1 EHAF CC(=O)O[C@@H](CCc1ccc(O)cc1)C[C@H](O)C=Cc1ccccc1 2356411445 PMPAJIJYADFUOO-RTWAWAEBSA-N 340.419 3.721 0 1 EHAF Ic1cccc(C2=NOCc3ccccc32)c1 103184743 TZJOKVVIZWIMLJ-UHFFFAOYSA-N 335.144 3.574 0 1 EHAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1cc(C)ccc1C 26189459 XACTYFHSPTXDSY-KCGBVJQISA-N 329.396 3.725 0 1 EHAF CC(C)CCC(=O)[C@@H](C)CCC[C@]1(C)OC[C@H](CCO)CC[C@H]1O 27887232 BXKQYIKPTRBPOZ-XEYPJELSSA-N 342.520 3.727 0 1 EHAF COc1ccc([C@@](O)(c2cncnc2)c2ccc(C)c(C)c2)cc1C 28768900 MDUBKATZDOTXNA-OAQYLSRUSA-N 334.419 3.695 0 1 EHAF CO[C@@]1(C)C[C@@H](c2ccc(O)cc2)c2c(c3ccccc3oc2=O)O1 27561460 ADZNYMHOFIXDFZ-MGPUTAFESA-N 338.359 3.776 0 1 EHAF O=C(CCCCCCCCc1ccccc1)[C@@H]1[C@@H](O)C=C(O)C[C@H]1O 2356522650 OHWWYOHXWKGLHF-PWRODBHTSA-N 346.467 3.713 0 1 EHAF CCC=CCC=CC[C@@H]1OC(=O)CCCC=CC[C@@H](O)C=C[C@@H]1O 2356663101 STBQZNSMPFUZOI-QYZOEREBSA-N 334.456 3.609 0 1 EHAF Cc1cc2c(s1)c1cnn(Cc3cccc(F)c3F)c(=O)c1n2C 36380288 HCQNYJDVPCTEMQ-UHFFFAOYSA-N 345.374 3.585 0 1 EHAF CN(C)c1ccc(-c2cc3ccc(OCCF)cc3oc2=O)cc1 71329153 GPOOIOKZBZYPPZ-UHFFFAOYSA-N 327.355 3.874 0 1 EHAF COc1cc(C(=O)c2coc(-c3ccccc3)n2)cc(OC)c1OC 72120119 YSZWUFPOMPOSSS-UHFFFAOYSA-N 339.347 3.598 0 1 EHAF Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(CO)n1 73224182 NIUZXJTUMFRLDR-UHFFFAOYSA-N 328.195 3.647 0 1 EHAF Nc1nc(SCCc2ccccc2)nc2sc3c(c12)CCOC3 45321647 MXKAUTUNIOOCNN-UHFFFAOYSA-N 343.477 3.681 0 1 EHAF CC[C@@H](C)Nc1ncc(C(=O)NCC2CC2)c(-c2ccccc2F)n1 82151751 XJOJPYQARSGPQP-GFCCVEGCSA-N 342.418 3.633 0 1 EHAF CN(C)c1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)cc1 84713337 OKEWSQUATHSGRP-UHFFFAOYSA-N 339.420 3.778 0 1 EHAF COc1ccc(N2C(=O)c3n[nH]c(C)c3[C@@H]2c2ccc(F)cc2)cc1 199729806 FSYNEBLUNBTBRM-SFHVURJKSA-N 337.354 3.616 0 3 EHAF Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C)C(=O)O[C@@H]3[C@H]2[C@@H](C)CC[C@H]21 238777106 GUJJYAWCAPDUTL-YEORJLPISA-N 340.375 3.513 0 1 EHAF CC(C)OC(=O)CCN[C@]1(c2ccccc2Cl)CCCCC1=O 96910582 OYHDMPDRGZQTIM-SFHVURJKSA-N 337.847 3.610 0 1 EHAF COc1ccc2c(c1)CC[C@H](NCCCc1ccccc1)C[C@H]2O 299840283 UVSBTRVDVBPUOS-GHTZIAJQSA-N 325.452 3.656 0 1 EHAF O=c1c2ccsc2nc(SC[C@H](O)c2ccccc2)n1C1CC1 653740742 TWVAGGZMUAPOSH-AWEZNQCLSA-N 344.461 3.619 0 1 EHAF Cc1cnc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 587235463 NNYFLXCDAZLHPC-CHWSQXEVSA-N 330.432 3.817 0 1 EHAF CCOc1ccc(OCC)c(-c2nc3ccc(CCO)cc3[nH]2)c1 587778055 IJPRNZCHIAWZFE-UHFFFAOYSA-N 326.396 3.562 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(CN1CCCC[C@H]1C)CC2=O 587479552 UJHNGOAAGZRGTG-JLTOFOAXSA-N 331.456 3.943 0 1 EHAF N=c1ccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c[nH]1 587253521 BMJASVRRFURNRA-UHFFFAOYSA-N 326.709 3.633 0 1 EHAF Cc1cc(Br)ccc1OCc1nc2ccc(O)cc2[nH]1 586981255 MZOJNNKMANYVHK-UHFFFAOYSA-N 333.185 3.918 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(OC)c1)CC2=O 587475580 AVYHSJCTKABLGI-QGZVFWFLSA-N 328.364 3.765 0 1 EHAF CCCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444483 ZHPDCDWLQHLGLY-SXGZJXTBSA-N 346.423 3.571 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)cc1N)CC2=O 587462799 TUPWUPKACPBTBU-OAHLLOKOSA-N 332.787 3.682 0 1 EHAF Fc1cc(Br)ccc1-c1nc2cnc(Cl)[nH]c-2n1 587143107 WMRXBKHREQTQDJ-UHFFFAOYSA-N 327.544 3.527 0 1 EHAF Clc1ncc2nc(-c3cccnc3NCc3ccccc3)nc-2[nH]1 587230787 ZMQBLIPFXDKMKP-UHFFFAOYSA-N 336.786 3.632 0 1 EHAF COc1nccc2nc(Cc3ccc(Br)c(C)c3)[nH]c12 586976995 LOPRLQZCDYYMKM-UHFFFAOYSA-N 332.201 3.628 0 1 EHAF COc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1OC 587176996 YOCLJVMEPXCMMJ-UHFFFAOYSA-N 338.342 3.517 0 1 EHAF C[C@H](O)c1ncc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)s1 587021350 HQZQYUAQTLNECM-LURJTMIESA-N 329.303 3.638 0 1 EHAF FC(F)(F)c1cccnc1-c1nc2cc(Br)ncc2[nH]1 587109504 WRCPRTPXJRPFGQ-UHFFFAOYSA-N 343.106 3.801 0 1 EHAF CCC(=O)Cc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586991781 QIKWCXOJKWPJOE-UHFFFAOYSA-N 331.371 3.982 0 1 EHAF Cc1cc(Cl)cc2c1NC(=O)[C@]21NCCc2cccc(Cl)c21 963391208 QFIKDTZLWOAATA-KRWDZBQOSA-N 333.218 3.643 0 1 EHAF O=C(Nc1ccc(O)cc1)c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 1772648533 BUDHBLBYISRDCR-UHFFFAOYSA-N 345.358 3.893 0 1 EHAF Cc1cc(N)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C 1772597031 ZKDAIXCKTFNMBA-UHFFFAOYSA-N 332.469 3.984 0 1 EHAF CN1CCN(c2nc3cc(Cl)c(Cl)cc3n3cccc23)CC1 13801480 OLJHULLSMFAXEX-UHFFFAOYSA-N 335.238 3.546 0 1 EHAF CCc1c2c(nc3ccc(OC)cc13)-c1nc3ccccc3c(=O)n1C2 13828776 WHLLSNLYUDCWPW-UHFFFAOYSA-N 343.386 3.544 0 1 EHAF C[C@@H]1C[C@@H](N2CCc3cc(NC(=N)c4cccs4)ccc32)CCN1 169292928 VMFWQYNIDQYSKD-CJNGLKHVSA-N 340.496 3.689 0 1 EHAF CC[C@@H](C)NC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1 429606 DMJABKAMEXDZMM-LLVKDONJSA-N 343.452 3.839 0 1 EHAF O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc2ccccn2n1 4901767 JDXQZBBTQHXBSN-UHFFFAOYSA-N 328.375 3.572 0 1 EHAF Cc1c(C)c2c(c(C)c1N)C[C@](C)(C[S@@](=O)c1ccccc1)O2 13652121 MKKHLYVTXBQPAB-XXBNENTESA-N 329.465 3.695 0 1 EHAF CCC(=O)NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 13686211 IKJHFSQVBUKKHY-UHFFFAOYSA-N 338.451 3.970 0 1 EHAF COc1cc(CCNc2cnnc3c(Cl)cccc23)cc(OC)c1 20330277 RMSURQNIPABPHT-UHFFFAOYSA-N 343.814 3.955 0 1 EHAF O=C(CCCC1CCN(C(=O)c2ccccc2)CC1)c1ncco1 29126474 CVFPHGFCTDPKCP-UHFFFAOYSA-N 326.396 3.580 0 1 EHAF CC(C)[C@H]1CC[C@@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 31318545 QTYCMDBMOLSEAM-JQHSSLGASA-N 333.863 3.588 0 1 EHAF COc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1 40380033 FHKZHOZHULTQJI-UHFFFAOYSA-N 334.784 3.945 0 1 EHAF in-vitro Cc1[nH]c2ccc(O)cc2c1CCNc1nccc(-c2cccnc2)n1 45350171 DFVWFHPVZWDVFV-UHFFFAOYSA-N 345.406 3.689 0 1 EHAF FC(F)(F)c1ccc2nc([C@@H]3CCN(Cc4ccncc4)C3)[nH]c2c1 51076746 AIYYPDFZMOZYCY-CYBMUJFWSA-N 346.356 3.966 0 1 EHAF biogenic CCN(CC)CCNc1nc(NCc2ccco2)c2ccccc2n1 66074020 YOIFPDUDGAADFE-UHFFFAOYSA-N 339.443 3.589 0 1 EHAF Clc1ccc(N2CCN(CCCOc3ccccc3)CC2)cc1 73220413 DFNAAFSXZVGDBJ-UHFFFAOYSA-N 330.859 3.931 0 1 EHAF O=C(C1CC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 100101657 YQMHWNTUAGBBRU-OWZSKUSTSA-N 344.458 3.533 0 1 EHAF O=c1ccc2cnc(Nc3ccccc3)nc2n1[C@H]1C[C@H]2CC[C@H]1C2 101708986 QAWADIWIAIIMDV-ZQIUZPCESA-N 332.407 3.896 0 1 EHAF CCCCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2C(=O)O)C1 103252334 ZJERTTHVMYYXMT-LBPRGKRZSA-N 331.334 3.799 0 1 EHAF Cc1ccc2cc(CCC(=O)NC3=C(C(=O)O)CCCC3)ccc2n1 169326189 QVHFBUZVSZCREG-UHFFFAOYSA-N 338.407 3.505 0 1 EHAF O[C@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(F)cccc12 169334859 HIEUEHJJXOAYPV-IINYFYTJSA-N 342.336 3.958 0 1 EHAF CC1(C)c2nc3ccc(O)c4c3c(c2[C@H]1C(=O)O)-c1ccccc1C4=O 586990582 LWJIADSVDOOFDR-KRWDZBQOSA-N 345.354 3.611 0 1 EHAF COc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2n1 587006079 GTVHEQQGZGQLMV-UHFFFAOYSA-N 343.184 3.649 0 1 EHAF Oc1nc2cc3[nH]c(-c4ccc(-c5nccs5)cc4)nc3cc2[nH]1 587023940 STRHRYJBBIDLNW-UHFFFAOYSA-N 333.376 3.935 0 1 EHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(F)cnc3[nH]2)c1 587241947 LOLWNXDFBCAVAP-UHFFFAOYSA-N 344.346 3.817 0 1 EHAF COC(=O)Nc1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 587243215 GEHMOHLFPNCXSW-UHFFFAOYSA-N 336.273 3.822 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1occc1Br)[C@@H](C2)C3=O 587410977 APYABZOJUVNIMF-XPTSAGLGSA-N 335.153 3.539 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCc4c(F)cc(F)cc41)[C@@H](C2)C3=O 587428696 QCSPYZIBOQIZTK-IFXJQAMLSA-N 328.314 3.563 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)on1)[C@@H](C2)C3=O 587435402 FSMVJVLJDFHGKL-VBKZILBWSA-N 333.343 3.839 0 1 EHAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587587759 OFXGLVINUTYFMQ-NQIIRXRSSA-N 347.370 3.973 0 1 EHAF Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)cn1 587629840 KLFMSTUSEJUFNS-UHFFFAOYSA-N 345.683 3.944 0 1 EHAF COCCc1c(-c2ccc(F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649858 LZBRXAGVEQFXNY-UHFFFAOYSA-N 347.411 3.566 0 1 EHAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccc(F)n1 587658619 QBIQREUEWYHGPE-UHFFFAOYSA-N 335.313 3.726 0 1 EHAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C 587755374 PEPYFNIXORBAAH-FVMDXXJSSA-N 337.236 3.859 0 1 EHAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 587796871 QWORBABULPRHGW-JKYUHCHBSA-N 325.181 3.508 0 1 EHAF CC1=Nc2ncnn2[C@H](c2ccccc2)/C1=C(/O)OCc1ccccc1 618007171 OCZPCDKGKLDDPK-LYHOESIGSA-N 346.390 3.960 0 1 EHAF Cc1ccc(C)c(-c2n[nH]cc2[C@@H]2NCCc3c(C(=O)O)cccc32)c1 963121077 IWLLOJYVEAZJCQ-LJQANCHMSA-N 347.418 3.627 0 1 EHAF COc1cc2c(cc1OC)[C@@H]1Cc3c([nH]c4ccccc34)CN1CC2 1772603500 OMBHXEPOHLIZTD-IBGZPJMESA-N 334.419 3.841 0 1 EHAF Cc1cc2c(c(O)n1)C(=O)O/C2=C\c1ccc(Br)cc1 1857541694 SHOSQKYJXYWFIM-GHXNOFRVSA-N 332.153 3.527 0 1 EHAF Cc1nn(C2CCCC2)c2ccc(N=c3[nH][nH]c4cccnc34)cc12 1857768109 POOJYZDZOTYNOJ-UHFFFAOYSA-N 332.411 3.897 0 1 EHAF Cc1cccc(OCCCOc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 1857771553 YSUZPMOYIQCPNL-OAHLLOKOSA-N 342.391 3.794 0 1 EHAF COc1ccc([C@@H]2C[C@@H](c3ccc(OC)c(O)c3)OC[C@H]2OC)cc1 2356550725 KAETWBBZOZEGPL-FFZOFVMBSA-N 344.407 3.670 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC(C)=C[C@H]2[C@H]1[C@@]1(C)CCC[C@@]2(C)C(=O)O1 2356575368 KREPOBCVKLZNPY-DSEDUUINSA-N 332.440 3.953 0 1 EHAF COc1ccc(NC(=O)n2ncc3cc(Cl)ccc32)cc1OC 6768998 ILTWCHQHEZAJRM-UHFFFAOYSA-N 331.759 3.787 0 3 EHAF C[C@@H]1CC2=CCC[C@H]2[C@]2(O1)C(=O)Nc1cccc(Br)c12 36381961 ANKVNMTUSQDSJD-ZYSBLVPFSA-N 334.213 3.742 0 3 EHAF CC[C@H](C)CNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 199391119 FJLDDGDEKNIJKZ-JTQLQIEISA-N 325.334 3.871 0 3 EHAF Cc1[nH]c2ccccc2c1[C@H]1Cc2ccccc2N1C(=O)/C=C/C(=O)O 1622300 BLCOALNKHFNYCK-DOJUMQAQSA-N 346.386 3.748 0 1 EHAF CCOC(=O)Nc1ccc(NCc2c(C)cc(C)cc2C)nc1N 26752891 LFMTVEAPTAOBRX-UHFFFAOYSA-N 328.416 3.770 0 1 EHAF COc1cc([C@H]2CCc3cc(OC)c(OC)c(OC)c32)ccc1O 27415582 HKQHXOBJCJITRA-CYBMUJFWSA-N 330.380 3.505 0 1 EHAF CCCCOC(=O)/C=C/c1ccc(N2C(=O)c3ccccc3C2=O)cc1 28862685 LGSSNIMLTADRRN-JLHYYAGUSA-N 349.386 3.844 0 1 EHAF CN1CCCc2ccc(NC(=O)c3ccc(-c4cnccn4)cc3)cc21 40566998 VGXDQBVSPYJATR-UHFFFAOYSA-N 344.418 3.778 0 1 EHAF Oc1cccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)c1 45211261 STAFFEHOZFSGGL-UHFFFAOYSA-N 334.354 3.853 0 1 EHAF CC1(C)C[C@@]2(CN(C(=O)c3ccccc3)CCO2)c2ccccc2O1 45303081 WKMFBBYQDKINON-OAQYLSRUSA-N 337.419 3.616 0 1 EHAF O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)ccc1F 49036732 FYHNYIIANJTURE-UHFFFAOYSA-N 346.833 3.876 0 1 EHAF COc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1F 49052273 FHHROWPCVKPZEY-UHFFFAOYSA-N 327.311 3.846 0 1 EHAF CCS(=O)(=O)Nc1ccc(-c2cncc3ccccc23)c(OC)c1 114025573 AMZSBTUMPXSUAU-UHFFFAOYSA-N 342.420 3.672 0 1 EHAF Cc1cccc(NC(=O)Nc2cccc3c2[C@@H]2CCCCN2C3=O)n1 116945152 PWWHQERJKXLERO-HNNXBMFYSA-N 336.395 3.715 0 1 EHAF Cc1ccc(N[C@H]2C[C@@H](Oc3ncccc3C3CCOCC3)C2)nc1 145042890 IDVOWFCUTYLYRH-QAQDUYKDSA-N 339.439 3.701 0 1 EHAF C/C1=C\C=C/[C@H](C)C(=O)C[C@H](C(C)C)[C@H]2C=C(CC(=O)C1)C(=O)O2 169290691 BMKPIWHFMRABEY-DGUODBALSA-N 330.424 3.571 0 1 EHAF CN1C=CN(COCCc2ccccc2C(F)(F)F)/C1=C\N=O 197077990 QJQVUUMUYYLEQB-UVTDQMKNSA-N 327.306 3.506 0 1 EHAF O=c1c2cn[nH]c2c2ccc(-c3ccncc3)cc2n1CC(F)(F)F 204967276 NVYYZJKZHHHMGT-UHFFFAOYSA-N 344.296 3.502 0 1 EHAF O=C(N[C@@H]1CCc2cc(Cl)cc(Cl)c21)[C@@H]1COc2ncccc21 205100354 KWFRKVWOJFLNAF-TZMCWYRMSA-N 349.217 3.668 0 1 EHAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cncnc3[nH]2)c1 586880676 AZZDIROATWCOFH-UHFFFAOYSA-N 328.375 3.868 0 1 EHAF Clc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cn1 587007476 ZEEQDPATFXXFQH-UHFFFAOYSA-N 348.591 3.689 0 1 EHAF N[C@H](c1nc2ccc(Br)cc2[nH]1)c1ccc(F)cc1F 587149639 IEWSABUGOMICHR-ZDUSSCGKSA-N 338.155 3.652 0 1 EHAF CN(C)C(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587150330 CHDBGUKGLCFHGS-CHWSQXEVSA-N 341.361 3.814 0 1 EHAF Cc1cccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587196735 BECHUVZESGZUMW-CQSZACIVSA-N 345.443 3.787 0 1 EHAF O=C(/C=C/c1nc2cccc(Br)c2[nH]1)Nc1ccccc1 587245395 XJULFBDUFYTKNI-MDZDMXLPSA-N 342.196 3.977 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cnccn3)cc1)O2 587394525 XBFRBBPOVRUWOT-LJQANCHMSA-N 331.375 3.741 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CCC)([C@H](C)C(=O)OC)CC2=O 587478400 JODBQQLBTBVWAA-BLVKFPJESA-N 334.412 3.658 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccn2)N1 587770293 ILEYISZXJNKLLH-QLJPJBMISA-N 335.220 3.781 0 1 EHAF COCCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789521 CLARAQLYKXRFQQ-BONVTDFDSA-N 330.241 3.764 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccccc32)N1 587818613 RMEFQRUUKXAZAF-BTDLBPIBSA-N 332.216 3.922 0 1 EHAF Oc1nc(O)c2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2n1 587949654 JXLUKOWRHGJHOU-ZHACJKMWSA-N 346.346 3.727 0 1 EHAF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1cc(C(C)C)c(OC)cc1C 621474195 ZGCOINPYQWGJJO-CFBLSMTOSA-N 348.468 3.933 0 1 EHAF COc1ccc2c(c1)C1([C@H]3CCC[C@H]1CN(C)C3)N(C(C)C)CC2 962085643 AIROKEBANZOXSY-ROUUACIJSA-N 328.500 3.519 0 1 EHAF Cc1cc([C@]2(C)NCCc3ccc(F)c(C)c32)c2oc(N)nc2c1 962381754 ZSSHMZIUWLVGJE-IBGZPJMESA-N 325.387 3.575 0 1 EHAF CC[C@@H]1C[C@@]2(CCO1)c1cccc(F)c1CCN2[C@H]1CCSC1 962719018 VDOLUJGOZKHGGM-KHYOSLBOSA-N 335.488 3.974 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnc3c(c2)c(C)nn3C)N1 962949407 FMEUEUOZLNBXSV-LIRRHRJNSA-N 345.450 3.772 0 1 EHAF CN1CCc2cn(C)nc2[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 963956360 XFECLAZWAUIQCU-SFHVURJKSA-N 327.815 3.911 0 1 EHAF Cc1ccc(Cn2[nH]c(=NC(=O)c3ccoc3C)c3ccccc32)cc1 1857572217 WURJLQOTBFDTCG-UHFFFAOYSA-N 345.402 3.969 0 1 EHAF CC(=CC(=O)O)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@@H](O)[C@@]1(C)O 2356381799 ZHIYNJZBJDWRKG-GPEJODLCSA-N 338.488 3.762 0 1 EHAF CC(C)=CCCC1=CCC[C@@](C)([C@H](O)CCC(C)=CCO)OC1=O 2356427819 NSHPGTBWUZPWGW-QUCCMNQESA-N 336.472 3.835 0 1 EHAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@](C)(O)[C@]12C 2356567000 CPGDJQWAOHOBFE-HAEOHBJNSA-N 346.423 3.892 0 1 EHAF CC[C@H](C)NC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1 429607 DMJABKAMEXDZMM-NSHDSACASA-N 343.452 3.839 0 1 EHAF CC[C@@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](NC)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356457060 BKSZWYDLWWBRIR-WSLTUPHYSA-N 345.527 3.713 0 1 EHAF CCCCC(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 2724694 ZQVJXEVRZKUECJ-FQEVSTJZSA-N 340.398 3.886 0 3 EHAF Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3)C2)n1 4967682 NFFDKGBHPMHXAA-CQSZACIVSA-N 344.846 3.602 0 3 EHAF Cn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2cccc(Cl)c21 29128146 PLMCHRDOZVTOMW-UHFFFAOYSA-N 334.206 3.649 0 1 EHAF Cc1cc2nc(NC(=O)[C@@]3(C)CCCN(C(C)C)C3)[nH]c2cc1C 61895889 YEGSZRGRCOPKIB-IBGZPJMESA-N 328.460 3.629 0 3 EHAF O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc([C@H]2CCCN2)s1 23367506 XAPHNGWOCFJKGJ-CYBMUJFWSA-N 338.436 3.815 0 1 EHAF C[C@@H](O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801416 HABYHHAEXZCLGB-TYMHRXNWSA-N 333.516 3.847 0 1 EHAF Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21 63540290 BKBCSMDCCAWWNC-UHFFFAOYSA-N 327.185 3.879 0 1 EHAF c1nc(NC[C@H]2CCCO2)c2ccc(-c3ccc4c(c3)OCO4)cc2n1 36382590 AMGKPWQGTQNUJA-OAHLLOKOSA-N 349.390 3.616 0 1 EHAF CC(=O)NCCC1=C(Cc2ccsc2)Cc2ccc3c(c21)CCO3 71319404 YGDNNDGJMINIGX-UHFFFAOYSA-N 339.460 3.762 0 1 EHAF COc1ccccc1[C@@H](O)c1nnc(Nc2ccccc2C)s1 82078193 GFWRGRSBNDTJKY-OAHLLOKOSA-N 327.409 3.680 0 1 EHAF COC(=O)CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1 40828278 XNQFDKTUCSPVLT-UHFFFAOYSA-N 343.383 3.543 0 1 EHAF FC(F)Oc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 323976265 XGWBZTAFYRCCPF-UHFFFAOYSA-N 332.306 3.993 0 1 EHAF Clc1ccccc1-c1cc(-c2cnn(C3CCNCC3)c2)on1 40429892 ZYSDUCLOQUOUSW-UHFFFAOYSA-N 328.803 3.783 0 1 EHAF CC[C@@]12C=CCN3CCc4c(n(c5ccccc45)[C@@H](C(=O)OC)C1)[C@@H]32 238745744 OUVARUOEIMIVLD-YFVAEKQCSA-N 336.435 3.625 0 1 EHAF Cc1cc(Br)cc2c1O[C@H](C(F)(F)F)C(C(=O)O)=C2 147918961 ILHUJLLYTPMLPK-JTQLQIEISA-N 337.091 3.549 0 1 EHAF c1ccc(OC[C@@H]2[C@H]3CN(Cc4cnc5ccccc5c4)C[C@H]32)cc1 253668560 YDELNLPCFPCQQX-AERCQKQUSA-N 330.431 3.992 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 299872508 GZENKSODFLBBHQ-WCVJQKDHSA-N 344.495 3.940 0 1 EHAF COc1cc2ccc(=O)oc2cc1OC(=O)/C=C/c1ccc(F)cc1 299857810 DASSZLBRXBTONZ-XBXARRHUSA-N 340.306 3.560 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc4c1OC(C)(C)C4)[C@@H](C2)C3=O 587455474 NLNBUSWIEIJPPD-YWZLYKJASA-N 336.387 3.897 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OCC)co1)CC2=O 587482938 PDOJZQUXHOTOFL-KRWDZBQOSA-N 344.363 3.821 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C)[C@@H](C)C2=O)N1 587818169 CIXSPRCMHHXJHP-IOOBAMJDSA-N 340.236 3.563 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(F)c1 587572269 USZBLZWBLJCKKW-QFBILLFUSA-N 337.306 3.629 0 1 EHAF COc1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587112181 PNRZPICUUCJVJZ-UHFFFAOYSA-N 349.312 3.520 0 1 EHAF COc1c(F)cccc1CC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587383119 XWJILCWIEXCYFI-ZDUSSCGKSA-N 329.371 3.692 0 1 EHAF Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587774052 LCVQMTRVWYWSNK-KWKYVRJSSA-N 339.208 3.817 0 1 EHAF CC(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587076365 RCNWORDTNUVPFQ-UHFFFAOYSA-N 337.770 3.667 0 1 EHAF CCOC(=O)c1ccc2nc(-c3cc(F)c(OC)c(F)c3)[nH]c2c1 587134255 CYRDUGJUGGHFLO-UHFFFAOYSA-N 332.306 3.693 0 1 EHAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cncnc2[nH]1 587121424 CIQIFKAZDOTPOK-UHFFFAOYSA-N 345.284 3.775 0 1 EHAF Cc1ccc([C@@]2(C3CC3)NCCc3ccc(C(=O)N(C)C)cc32)c(C)c1 962928044 GIKSOJBDJQQLGL-HSZRJFAPSA-N 348.490 3.805 0 1 EHAF COc1cc2c(cc1OC)[C@@](C)(c1ccc(C=O)cc1)N(C)[C@@H](C)C2 962577418 YOGNWIBIRASCKA-LHSJRXKWSA-N 339.435 3.656 0 1 EHAF COc1cc2onc([C@H]3CCCN3C(=O)C(C)(C)C)c2cc1OC 206029973 RAENYEHAKYJUHZ-GFCCVEGCSA-N 332.400 3.555 0 3 EHAF COc1cccc(C(=O)NC2(C(=O)c3cc(C)cc(C)c3)CC2)c1C 13490022 HHHDZXRFUQVLOF-UHFFFAOYSA-N 337.419 3.766 0 1 EHAF CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCSCC(=O)O 169337996 MMTQOFIJCUDWFS-LNOGDKGQSA-N 342.501 3.677 0 1 EHAF C[C@@H](CO)Oc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1 219362856 SYNZIFBMGCLIDX-JTQLQIEISA-N 345.782 3.946 0 1 EHAF Cc1c([C@@H](C)c2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O 3648132 SNZLKNMCCWNHEG-JTQLQIEISA-N 333.382 3.863 0 1 EHAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H](CO)CCO 13402885 BIRYTQFFNQPJBQ-FXRFXEHHSA-N 338.488 3.621 0 1 EHAF biogenic CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCC(C)CC1 20900821 NUZFGMWCEYSAFP-UHFFFAOYSA-N 332.469 3.508 0 1 EHAF O=C(O)C(=O)CC(=O)c1ccc(-c2ccc(Cl)cc2)cc1Cl 28387806 XHURXRSUVMLPLE-UHFFFAOYSA-N 337.158 3.887 0 1 EHAF COC(=O)c1oc2ccccc2c1NC(=O)CSc1ccccc1 59255448 IPOWJZDONJABRV-UHFFFAOYSA-N 341.388 3.950 0 1 EHAF CCc1nn(-c2ccccc2)c2cc(N3CCN(CC)CC3)ccc12 72178457 QQRBENGNGFOSIT-UHFFFAOYSA-N 334.467 3.730 0 1 EHAF COc1cccc(CCNCc2coc(-c3cccc(F)c3)n2)c1 72186570 ZCPQNGFGQPKGSN-UHFFFAOYSA-N 326.371 3.822 0 1 EHAF CCO[C@@H](CNC(=O)/C=C/c1ccccc1)c1ccc(OC)cc1 95620433 LXXLURHVWSXSJP-JNMQVBFRSA-N 325.408 3.602 0 1 EHAF endogenous,in-man Cc1nc(N)c(N[C@H](C)c2ccccc2)nc1-c1cccc(C(=O)O)c1 96284800 GGWLVTMJKAUOCC-GFCCVEGCSA-N 348.406 3.906 0 1 EHAF Fc1cccc(-c2cnc3ccc(NCCc4cccnc4)nn23)c1 96907641 PNKNZWACOGPCLE-UHFFFAOYSA-N 333.370 3.585 0 1 EHAF CC1=Nc2ncnn2[C@@H](c2ccco2)/C1=C(\O)OCc1ccccc1 101483307 HPOVACSFWJBXBH-UYTDBDHRSA-N 336.351 3.553 0 1 EHAF aggregator COc1ccc(CNc2ccc3ncc(-c4ccc(O)cc4)n3n2)cc1 115126120 FKCNTNLOFNANIQ-UHFFFAOYSA-N 346.390 3.723 0 1 EHAF FC(F)(F)c1ccc(-c2ccc3ncc(-c4ccncc4)n3n2)cn1 169306633 LIKPXIHCLYTOSV-UHFFFAOYSA-N 341.296 3.872 0 1 EHAF O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn21 203778461 NLNMCEXQEHYXBB-UHFFFAOYSA-N 337.354 3.632 0 1 EHAF Cc1ccc(S[C@@H](C)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 238780277 MJNTUORGNLDPKV-GFCCVEGCSA-N 336.434 3.605 0 1 EHAF c1ccc(Sc2ccc3nc(C[C@@H]4COCCO4)[nH]c3c2)cc1 586908520 BYSYFFFNPSQIHJ-CYBMUJFWSA-N 326.421 3.672 0 1 EHAF C[C@H](SCc1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 586961577 KEHORTYZIQFFDP-LBPRGKRZSA-N 336.424 3.533 0 1 EHAF O=C(O)CSc1ncccc1-c1nc2c3c(ccc2[nH]1)CCCC3 586968619 PNHWSSUEDCUIQI-UHFFFAOYSA-N 339.420 3.680 0 1 EHAF O=C1c2ccccc2-c2cc([C@@H]3CCCNC3)nc3ccc(O)c1c23 586989913 SHUWVSKCLHPBBZ-GFCCVEGCSA-N 330.387 3.619 0 1 EHAF COC(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587017403 LKRQCKLXKNWTCC-UHFFFAOYSA-N 339.376 3.657 0 1 EHAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cnc(Cl)s3)nc1-2 587023925 XDRGKYMPJBXDKB-UHFFFAOYSA-N 340.117 3.754 0 1 EHAF OC1(c2nc3cc(F)c(F)c(F)c3[nH]2)CCC(C(F)(F)F)CC1 587127273 VHCJLHZQIHUBEH-UHFFFAOYSA-N 338.251 3.920 0 1 EHAF C[C@@]1(c2nc3ccc(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 587155658 JSOBGEFZBKQFFR-KRWDZBQOSA-N 331.297 3.771 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ccc(Cl)nc31)O2 587378245 AVYWNPMRDSEEMH-GOSISDBHSA-N 328.799 3.823 0 1 EHAF COc1ccc2c(c1F)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587388013 ZADRSFYFGKIFCK-LJQANCHMSA-N 327.355 3.532 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](c3ncccc3O)C1)O2 587393941 OKBZTEJNLVMUFI-XCLFUZPHSA-N 338.407 3.740 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@H](C2(C)C)[C@@]1(C)O 587491960 XUXFVBNOJQTQKE-IUCWBQQBSA-N 344.451 3.866 0 1 EHAF O=C1COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2N1 587524731 LPOQKDCTBNOWHT-LJQANCHMSA-N 349.386 3.603 0 1 EHAF COC(=O)c1ccoc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587533201 OSEFIQQHAAVMGN-INIZCTEOSA-N 326.348 3.652 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnsc1 587617559 KGDWVNHIMUOHHS-YOEHRIQHSA-N 325.345 3.552 0 1 EHAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)no1 587793883 LYCVHVBJUYSTOO-UOWDBTKRSA-N 325.181 3.508 0 1 EHAF CCc1c(O)cccc1Nc1ncnc2cc(OC)c(OC)cc12 653719108 RCLKEGCBVALZLM-UHFFFAOYSA-N 325.368 3.659 0 1 EHAF C[C@@H](N)C[C@@]1(c2ccco2)c2ccsc2CCN1Cc1ccco1 962700223 CGMYHVRNZXFNBL-KUHUBIRLSA-N 342.464 3.973 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(COCc3cc(OC)ccc32)N1 962947485 NOLHETDJLCLBMK-OYHNWAKOSA-N 348.446 3.875 0 1 EHAF CCSc1ccc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963033128 PTDWAXDUWVWCDY-XOBRGWDASA-N 338.476 3.941 0 1 EHAF CNC(=O)c1cc(Oc2ccc(/C=C/c3ccccn3)cc2)ccn1 1857652314 TWACWLUWRMKSAI-VMPITWQZSA-N 331.375 3.799 0 1 EHAF N[C@@H](Cc1ccc(Cl)cc1)c1csc(Nc2cnccn2)n1 61930359 YRYNXCGMQAYHRX-LBPRGKRZSA-N 331.832 3.573 0 3 EHAF COC(=O)c1cc(-c2ccc(C)c3ccccc23)c(=O)n2c1CCC2 203461275 QWGLDMURIWECSI-UHFFFAOYSA-N 333.387 3.710 0 3 EHAF O=C1N=C(Nc2ccc(Cl)cc2)N/C1=C\c1ccc(Cl)cc1 101617027 MECBHNGKJWMWJS-ZROIWOOFSA-N 332.190 3.932 0 1 EHAF CCOc1cc2c(cc1OCC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2 28765440 ANDOQLXQJYNBHQ-NTDBWNAOSA-N 345.483 3.564 0 1 EHAF CC=C1CC[C@H]2C3=Nc4ccccc4[C@@]34C[C@@H](C[C@@H]4OC(C)=O)N2C1 2356624963 VNHKEWIAYPUPDF-PXDUREFJSA-N 336.435 3.529 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C=C(C)CC[C@]2(O)[C@H](C(C)C)C(=O)C[C@]12C 2356733283 LHKYRISHBMMAIZ-LFGUQSLTSA-N 334.456 3.587 0 1 EHAF Clc1ccc(C2=NN3C(c4ccccc4)=NN[C@H]3S2)c(Cl)c1 64548774 JHTZDAWNOVZUHX-OAHLLOKOSA-N 349.246 3.952 0 1 EHAF CSc1nc2nc(C)cc(Nc3ccc(C(F)(F)F)cc3)n2n1 73311317 KLMAQENUZGRGRE-UHFFFAOYSA-N 339.346 3.917 0 1 EHAF CN1CCC(F)(F)[C@H](CC(=O)O)[C@H]1c1ccc(C(F)(F)F)cc1 45390039 XQXJHHHOVMKJQI-DGCLKSJQSA-N 337.288 3.808 0 1 EHAF O[C@@]1(c2ccc(Cl)cc2)CCN(CCc2c[nH]c3ccccc23)C1 40863440 PRUAALOHVVCQPZ-FQEVSTJZSA-N 340.854 3.957 0 1 EHAF in-vitro Clc1nc(OCc2ccc(Cl)c(Cl)c2)c2nc[nH]c2n1 95602870 VQXKKBHKNIGNTK-UHFFFAOYSA-N 329.574 3.892 0 1 EHAF COc1cncc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586895260 VJSFJSZYEBDDDU-UHFFFAOYSA-N 331.375 3.793 0 1 EHAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(Cl)nc2[nH]1 587787871 RZNAIKWVFXAUDC-UHFFFAOYSA-N 329.787 3.744 0 1 EHAF c1ccc(CN2CCO[C@@H](c3cc4c5c(cccc5n3)CC4)C2)cc1 587212385 OPTHGIRVGBXTNM-OAQYLSRUSA-N 330.431 3.907 0 1 EHAF CCc1nc2c(s1)[C@]1(CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453006 OOUCIJKNYBZMLZ-CWTRNNRKSA-N 341.432 3.693 0 1 EHAF CCCc1c(O)ccc2c1O[C@](COC)(Cc1ccccc1)CC2=O 587485976 XRZVNYVHPFUDFE-OAQYLSRUSA-N 340.419 3.938 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccnc(C(F)F)c1)[C@@H](C2)C3=O 587423247 SMUAEZLIBHDKCT-SGTLLEGYSA-N 331.318 3.691 0 1 EHAF C[C@H](O)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535661 NKWMBUTYYBIYSF-BONVTDFDSA-N 329.421 3.782 0 1 EHAF Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(C(F)(F)F)c1 587095731 SJWXQADRWDFCTB-UHFFFAOYSA-N 335.285 3.602 0 1 EHAF CCOC(=O)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1 587058783 JCSZFTDFSBEVTL-AWEZNQCLSA-N 343.814 3.636 0 1 EHAF O=C(/C=C/c1nc2cc(-n3cccn3)c(F)cc2[nH]1)Nc1ccccc1 587245412 XYZVWUPAIHXQJD-BQYQJAHWSA-N 347.353 3.540 0 1 EHAF Clc1ccc(OCc2nc3cnccc3[nH]2)c(Br)c1 586976180 LYKZLLVVHZEBNW-UHFFFAOYSA-N 338.592 3.953 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCSc4ccc(F)cc41)[C@@H](C2)C3=O 587427892 KYWDBHPBRDMUDK-IFXJQAMLSA-N 342.391 3.973 0 1 EHAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587148951 BWSZQGKWZKRNSV-SSDOTTSWSA-N 336.269 3.818 0 1 EHAF COc1cncc(N)c1-c1nc2cc(OCc3ccccc3)ccc2[nH]1 587254007 JYGQSAWYHQTMKD-UHFFFAOYSA-N 346.390 3.795 0 1 EHAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(S)nc(S)nc2[nH]1 587952954 YDVZOKNIHVVLNY-UTLUCORTSA-N 338.502 3.977 0 1 EHAF Clc1ncc2nc(-c3cnc(Cc4ccccc4)s3)nc-2[nH]1 587021359 JBJMRGFLMWGOGH-UHFFFAOYSA-N 327.800 3.672 0 1 EHAF CCOc1ccc(OCC)c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 587778460 NJHYABHTFDWHFB-UHFFFAOYSA-N 344.342 3.865 0 1 EHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(C)cc2[nH]1 586972654 JVTFMLBHEDSPSA-GOSISDBHSA-N 339.464 3.982 0 1 EHAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(N)c(N)cc3[nH]2)c1 587049470 AFWJWARDGLVIRJ-UHFFFAOYSA-N 343.818 3.642 0 1 EHAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12C(=O)Nc1cc(F)cc(F)c12 963223863 DKSSFOIKXNORKM-FKIZINRSSA-N 342.389 3.817 0 1 EHAF Cc1cc2c(cc1F)[C@]1(NCC2)c2ccccc2[C@@H]2CN(C)CC[C@H]21 962087103 CTHAXAJCKDKHTM-KPLVRAHFSA-N 336.454 3.572 0 1 EHAF CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1 14975627 GVHQDMHRJGJQHF-UHFFFAOYSA-N 347.440 3.525 0 1 EHAF CCCCC[C@H](C[C@H](O)CCc1ccc(O)c(OC)c1)OC(C)=O 15256937 SLEAGHNVFZTGGH-IAGOWNOFSA-N 338.444 3.596 0 1 EHAF endogenous,in-man CN1C(=O)[C@H](c2ccc(C#Cc3ccc(F)cc3)cn2)CCC1(C)C 204406513 FOSSAPOSUHCFIO-SFHVURJKSA-N 336.410 3.735 0 1 EHAF CC(C)Nc1nc(-c2ccccn2)nc(N)c1Cc1ccccc1F 116190632 SMRGYTHHYHQFFM-UHFFFAOYSA-N 337.402 3.671 0 1 EHAF O=C(NC1CCCCC1)c1cnn2c1NC(=C1CC1)C=C2C(F)F 102847592 IUJQOWDONOIJRD-UHFFFAOYSA-N 334.370 3.525 0 1 EHAF CCc1nn(C)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1Cl 103196454 TVBTWJDTNMJEFR-UHFFFAOYSA-N 345.752 3.585 0 1 EHAF O=C(N[C@H]1CCCO[C@H](c2ccc(Cl)cc2)OC1)c1ccccc1 28826682 KLIZWJJGAVGMNY-HKUYNNGSSA-N 345.826 3.964 0 1 EHAF COc1ccc(Cc2nc(N)sc2Cc2ccc(O)cc2)cc1 28902192 DKZSJJJAWDMWGO-UHFFFAOYSA-N 326.421 3.621 0 1 EHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@@H](C2)[C@H]1CCC(=O)C3 29251334 NNUUOAQJUHMLDS-BAGYTPMASA-N 339.479 3.733 0 1 EHAF COc1cccc(Nc2ncc3c(n2)CCN(Cc2ccccc2)C3)c1 21639440 TXKUCWMQRASAEY-UHFFFAOYSA-N 346.434 3.787 0 1 EHAF Oc1cccc(C[C@@H](c2ccccc2)N2CCN(CC3CC3)CC2)c1 29477130 HVNYMSXCSLUUOV-QFIPXVFZSA-N 336.479 3.704 0 1 EHAF CCc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@@H](C)CC3=O 29133558 VOCPUOQHFWTXRO-ZJUUUORDSA-N 326.348 3.503 0 1 EHAF CC(=O)OC[C@@H]1c2ccccc2[C@]2(C)CCC[C@@](C)(COC(C)=O)[C@@H]12 2356468142 RIIFDNXAHNUKBM-PBASOCQRSA-N 344.451 3.974 0 1 EHAF CCOP(=O)(OCC)OCc1ccc(OC(C)=O)c(Cl)c1 73159323 VKFQFQTYWDGDNP-UHFFFAOYSA-N 336.708 3.963 0 1 EHAF CC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)C1 15673933 HOMHTJJJPNWGIT-HZPDHXFCSA-N 343.858 3.999 0 1 EHAF biogenic COc1ccc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 34821364 GHUXBTWUCFUMMA-UHFFFAOYSA-N 342.398 3.985 0 1 EHAF Oc1ccc([C@H]2CCc3c(O)cc(O)c([C@H]4CCCCN4)c3O2)cc1 72318263 RKFNUYHGDIDANI-CRAIPNDOSA-N 341.407 3.684 0 1 EHAF CCCCS(=O)(=O)N1CCCc2nc(-c3ccc(F)cc3)ccc21 199724931 DZTLXDBJTZOYKW-UHFFFAOYSA-N 348.443 3.770 0 3 EHAF CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccco2)n1 82142166 SRIVEIISNMYQDY-DZGCQCFKSA-N 342.443 3.501 0 1 EHAF C[C@@H](C(=O)N[C@H]1COc2ncccc21)c1ccc(Cl)cc1Cl 146518486 WJPNUTYLRJIVMN-OTYXRUKQSA-N 337.206 3.742 0 1 EHAF CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(C(=O)N2CCOCC2)no1 95571993 IJKXVLIQLKFIMQ-FYCOFBDGSA-N 330.428 3.543 0 1 EHAF Fc1ccc(CNc2nc(N3CCCCC3)nc3[nH]ccc23)cc1 299821309 CFGGTCFRKFSHJS-UHFFFAOYSA-N 325.391 3.699 0 1 EHAF O=C1N[C@H](c2cccc(OCc3ccccc3)c2)Nc2ncccc21 473096485 ZFTGCHAIVRZOJG-GOSISDBHSA-N 331.375 3.515 0 1 EHAF O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@H]1c1cccnc1 653663481 XRQPVXUTZFDCGK-IBGZPJMESA-N 346.386 3.827 0 1 EHAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncncc3[nH]2)cc1 586881778 YFLWDWQYJGSCEQ-UHFFFAOYSA-N 330.347 3.694 0 1 EHAF NC(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894413 DHRLTSDYIXWWBV-UHFFFAOYSA-N 331.460 3.708 0 1 EHAF Fc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1F 586966655 IIEISCILVTYXPL-UHFFFAOYSA-N 345.334 3.578 0 1 EHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)c(F)cc3[nH]1)C2 587247497 SNWYCMPQWSKINJ-GOSISDBHSA-N 345.805 3.707 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1c(F)c(F)c(F)c(F)c1F 587651666 NRACYJIDOCNWJR-UHFFFAOYSA-N 346.642 3.735 0 1 EHAF Fc1ccc2[nH]cc(Cc3nc4cncc(Br)c4[nH]3)c2c1 587174808 LRGWPVKMVAMCDJ-UHFFFAOYSA-N 345.175 3.932 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cn(C)c4ccc(C)cc14)[C@@H](C2)C3=O 587430360 HCEFAPYZRNKXTD-BTYIYWSLSA-N 333.387 3.984 0 1 EHAF Nc1c(F)cc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1F 587135060 RKTCAXYUMIJKNE-UHFFFAOYSA-N 342.118 3.992 0 1 EHAF Cc1cc(Cl)cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 586923972 CAIRFHWVOJEKJQ-BQYQJAHWSA-N 332.812 3.969 0 1 EHAF Fc1cc(F)c(-c2nc3c(Cl)ncnc3[nH]2)cc1Br 587137806 MFEWODOJAHJMMQ-UHFFFAOYSA-N 345.534 3.714 0 1 EHAF Cc1cc2c(Br)ccc(-c3nc4c(O)ncnc4[nH]3)c2o1 587003155 GFANXTCOILJZIX-UHFFFAOYSA-N 345.156 3.543 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ncccc1C(F)(F)F)[C@@H](C2)C3=O 587421704 RDDPJQFVGPJAKZ-YVEFUNNKSA-N 349.308 3.772 0 1 EHAF CCOc1ccc(OCC)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 587777846 FZMWHVDSYMACMA-UHFFFAOYSA-N 340.379 3.799 0 1 EHAF Cc1cccc(NC(=O)Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c1C 587239184 KWZOWTPFJUIHKT-UHFFFAOYSA-N 348.328 3.775 0 1 EHAF CCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CO 587400940 SPXQXCBVTJFTSY-IBGZPJMESA-N 341.407 3.565 0 1 EHAF Fc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587120010 NHYBFPYEMYQKQC-UHFFFAOYSA-N 338.308 3.844 0 1 EHAF CC(C)[C@@H]1C[C@@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)c2ccccc21 962889946 ABNVBYNSYPCOTN-LRQRDZAKSA-N 339.410 3.812 0 1 EHAF CN1CC[C@H]2CCC[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)[C@H]2C1 5699800 MWEVQAAGLFTBSC-PVXIVEMSSA-N 341.282 3.844 0 1 EHAF O=C([C@H]1CC=CCC1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 13593867 PWFPHPMHLNBOTR-KRWDZBQOSA-N 347.886 3.840 0 3 EHAF C[C@@H](Nc1nc(-c2ccnn2C)nc2cnccc12)c1ccccc1 1857559481 UTIRCFAAMLQQCL-CYBMUJFWSA-N 330.395 3.598 0 1 EHAF C[C@@H]1CCCCN1C(=O)c1cc2c(=O)[nH]c3ccccc3c2s1 429574 UNEYTFRJCZQQPB-LLVKDONJSA-N 326.421 3.757 0 1 EHAF Cc1cc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)on1 1540634 XOHZWSXZNGVECG-UHFFFAOYSA-N 327.384 3.970 0 1 EHAF CC(=O)C[C@]1(O)C2=C3Nc4ccccc4[C@H]3C=CN2c2ccccc21 2356306923 LBWYAILKPREKBJ-QVKFZJNVSA-N 330.387 3.622 0 1 EHAF COP(=O)(OC)O[C@@H](c1ccc(C)cc1)P(=O)(OC)OC 29224625 UBSYYKGVBVQMCX-GFCCVEGCSA-N 338.233 3.897 0 1 EHAF COC(=O)c1c(NC(=O)Nc2ccccc2)cc(C(C)(C)C)n1C 28222266 RSXVPNKVQYUECM-UHFFFAOYSA-N 329.400 3.753 0 1 EHAF CCC=CC[C@@H](O)C=CC1=CCC(=O)[C@@H]1CC=CCCCC(=O)O 2356687732 ZIFWTSFMNWFLAJ-QZTJIDSGSA-N 332.440 3.976 0 1 EHAF COc1c(O)c2c3c(oc4c(OC)c(O)cc(c43)CCC2)c1OC 66251644 FMAUKBYYDCNROF-UHFFFAOYSA-N 330.336 3.512 0 1 EHAF CC(=O)O[C@@H]1OC=C2[C@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]21 34239673 XOZIZCAYPORZCT-BCDMZGRMSA-N 336.428 3.574 0 1 EHAF COc1ccc(/C=C(\C2=NC(=O)CS2)c2nc3ccccc3[nH]2)cc1 31851307 MKLKMCAFEKLPRE-UVTDQMKNSA-N 349.415 3.784 0 1 EHAF CN1CCN(c2nc(C3CC3)nc3c2oc2ccc(Cl)cc23)CC1 34634598 VIPGJKBWXARKIA-UHFFFAOYSA-N 342.830 3.659 0 1 EHAF COc1ccc(-c2oc3ccccc3c(=O)c2Cn2ccnc2)cc1 36088211 GMZSVBKZQWIFKJ-UHFFFAOYSA-N 332.359 3.713 0 1 EHAF in-vivo COc1ccc(N)c(C2=NN(C(=O)c3ccccc3)C(C)(C)S2)c1 73278993 NABHLNTVFDHRNG-UHFFFAOYSA-N 341.436 3.564 0 1 EHAF CCN(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2F)C1 39455291 RHYKZWUZAJGIJC-LJQANCHMSA-N 327.447 3.707 0 1 EHAF CC[C@H](C)Oc1ccc(-c2nc(CNCCCN(C)C)co2)cc1 72186299 UJRRQSZGLYIANC-HNNXBMFYSA-N 331.460 3.560 0 1 EHAF Nc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 40430647 AKLBSCADPIQMBC-UHFFFAOYSA-N 349.384 3.841 0 1 EHAF COc1ccc(C[C@@H]2C(=O)C[C@H]3CCN(C)[C@H]4CCC[C@@H]2[C@@H]43)cc1 211062467 FHARHWIYNZVFRT-KQGMHSTHSA-N 327.468 3.563 0 3 EHAF CNC(=O)c1cc(Br)cc(N(C)c2ccc(OC)cc2)c1 96910988 OCEFQUWNZIDEES-UHFFFAOYSA-N 349.228 3.585 0 1 EHAF COc1ccc2ccc(=O)oc2c1C1=NN[C@@H](c2ccc(C)cc2)C1 299862435 JQFARUIDIQNLAB-OAHLLOKOSA-N 334.375 3.549 0 1 EHAF COc1ccc(S(=O)(=O)Nc2ccccc2-c2cccnc2)cc1 473088399 ICTSJNZZMWAMMB-UHFFFAOYSA-N 340.404 3.558 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](CCc1cncc(OC)c1)CC2=O 587490971 QKOIZZGZPIPMOU-AWEZNQCLSA-N 341.407 3.715 0 1 EHAF Cc1nccc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc12 587029063 GTIYYMDOCQATBD-UHFFFAOYSA-N 346.419 3.788 0 1 EHAF C[C@@H]1CCC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356831 SAAGEMGCENFADT-ZUNHGIIWSA-N 340.350 3.628 0 1 EHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(F)c(F)c2[nH]1 586963155 LDGZOGHIRGYVIR-JTQLQIEISA-N 336.367 3.889 0 1 EHAF Cc1cc(Br)c(-c2nc3ccc(C(=N)N)cc3[nH]2)cc1F 587137716 HUZMWGOPQGNYSY-UHFFFAOYSA-N 347.191 3.724 0 1 EHAF O=C1C[C@@H](c2ccc3nc(O)[nH]c3c2)Oc2c1ccc1c2CCCC1 587523869 ILGQAHHRPGHHHI-SFHVURJKSA-N 334.375 3.854 0 1 EHAF CC(=O)[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823594 QGFXNKAQDLTKHD-RCAYSMOQSA-N 340.236 3.707 0 1 EHAF C[C@@H](Oc1ccc(F)cc1)c1nc2c(Br)ccnc2[nH]1 587168045 DIMAIETUUCJCFH-MRVPVSSYSA-N 336.164 4.000 0 1 EHAF COC(=O)c1ccc2nc(-c3ccc4ccccc4c3N)[nH]c2c1OC 587253178 CSHLAEKWISWJJD-UHFFFAOYSA-N 347.374 3.761 0 1 EHAF CC(C)C(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809787 BGRYRPHTTZFPAX-MGPLVRAMSA-N 342.252 3.953 0 1 EHAF CN1CCC(c2c[nH]c3ccc(NC(=O)C4CCCCC4)nc23)CC1 13523753 XZPGIQSKRLUYSY-UHFFFAOYSA-N 340.471 3.891 0 1 EHAF COc1ccc(-c2cnc3cc(OC)c(OC)cc3c2)c(OC)c1 13737712 KYLMCGRBWZLUFA-UHFFFAOYSA-N 325.364 3.936 0 1 EHAF COc1ccccc1/C=C/C(=O)NCCn1c(C)cc2ccccc21 169348274 TYZQVMPCYMMQEY-VAWYXSNFSA-N 334.419 3.788 0 1 EHAF CC1=Nc2[nH]ncc2[C@H](c2ccco2)[C@@H]1C(=O)Nc1ccc(F)cc1 169724317 VSMLWNDXDGJMSS-HZPDHXFCSA-N 338.342 3.635 0 1 EHAF CC(C)(C#N)NC(=O)c1cnc(C2CC2)c(-c2cccc(Cl)c2)n1 207339249 QKLAEKUWHPRQLP-UHFFFAOYSA-N 340.814 3.706 0 1 EHAF CCOC(=O)Nc1ccc(=NCc2ccc(C(F)(F)F)cc2)[nH]c1 1857743807 YRAXSOWXSPDXPL-UHFFFAOYSA-N 339.317 3.703 0 1 EHAF CCN1C(=O)[C@@H](CC2CC2)Oc2cc(-c3c(C)noc3C)ccc21 1857746855 DMPTWBYHBZUWMB-QGZVFWFLSA-N 326.396 3.872 0 1 EHAF CC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 7997835 DUHUCHOQIDJXAT-NWIHUDFTSA-N 332.484 3.774 0 1 EHAF CCc1ccccc1NC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1 8599520 HCDCXMUYJQQOSI-UHFFFAOYSA-N 348.450 3.980 0 1 EHAF CCCCOc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1 103196326 XMKCJFYBOUKTRA-UHFFFAOYSA-N 349.862 3.745 0 1 EHAF CC[C@@H](O)/C=C/C=C\C=C\[C@H](O)C/C=C\C/C=C\CCCC(=O)O 112974873 RWHZIKMTLJOOEH-LKYJMUEYSA-N 334.456 3.934 0 1 EHAF CCCN(CCC)c1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1 28866204 SVGRBGSDDCOVSX-UHFFFAOYSA-N 335.398 3.574 0 1 EHAF COc1cc2ncnc(NCCc3ccc(Cl)cc3)c2cc1OC 27629470 RZTZMPAKXCXBAZ-UHFFFAOYSA-N 343.814 3.955 0 1 EHAF CCCCCSc1nc(N(CC)CC)c2sc(N)nc2n1 28570866 YMJJGBCHRWEZNF-UHFFFAOYSA-N 325.507 3.797 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1C[C@H]2O[C@]23Cc2occ(C)c2C[C@]3(C)[C@H]1C 40828697 ZPLFOPUZSGPGOM-RIGOSBQESA-N 330.424 3.748 0 1 EHAF Cc1cnccc1CN(C)Cc1nc(Cc2ccccc2Cl)no1 95544227 ZVTIQCPCFQIKLD-UHFFFAOYSA-N 342.830 3.649 0 3 EHAF COc1cc2c(c(OC)c1)Oc1cc(OC)cc3c1[C@H](C2)N(C)CC3 31425182 KXSQCYVMSJZRRS-INIZCTEOSA-N 341.407 3.590 0 1 EHAF biogenic C[C@H]1[C@H](C)CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818499 DWBMOKHXLZARNY-PXTZTZFBSA-N 340.236 3.563 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3nnc(C)o3)cc1)O2 587395582 RSPORZHXABCWNN-KRWDZBQOSA-N 335.363 3.642 0 1 EHAF C[C@]1(Cc2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587253 LUXTZXNAZFJBFP-WIYYLYMNSA-N 347.370 3.750 0 1 EHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cncc(Cl)c2[nH]1 587080872 UOLSDLFRPDNTCG-GFCCVEGCSA-N 346.221 3.989 0 1 EHAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(Cl)nc2[nH]1 587108684 OZMLZUAJXUEQRI-UHFFFAOYSA-N 341.676 3.995 0 1 EHAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3ccccc3cc2[nH]1 586961012 DZFDSVZMEKRFCV-SECBINFHSA-N 337.408 3.647 0 1 EHAF CC[C@]1([C@H]2CCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587618934 VOXLUYHGCGAJIP-WSXQUGQNSA-N 340.375 3.539 0 1 EHAF CCCCCc1cc2c(s1)CCc1cc3c(O)nc(O)nc3nc1-2 587563462 HVMXMUSSIAMUJP-UHFFFAOYSA-N 341.436 3.996 0 1 EHAF CC(C)OC1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587806448 AZFQZZUCGOYUSN-LWOUBBNUSA-N 342.252 3.905 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(O)ccc31)CC2=O 587481067 ACBPFXCFIBYGDE-FQEVSTJZSA-N 340.375 3.694 0 1 EHAF O=C(O)C[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587206369 JHDPXNPVGNRGGM-LLVKDONJSA-N 329.355 3.951 0 1 EHAF COc1ccc([C@@H]2NCCc3cc(C)c(F)cc32)cc1OC(F)F 962142828 GGAQYXNVCLFUFO-KRWDZBQOSA-N 337.341 3.979 0 1 EHAF CN1c2ccccc2C(=O)N2CCn3c(cc4cc(Cl)ccc43)[C@@H]21 221935618 ZQNLAPBHSZSONN-GOSISDBHSA-N 337.810 3.899 0 1 EHAF Cn1cc(-c2cccc3ccccc23)cc1C(=O)N1CCC(CO)CC1 1772577518 FIHWNIZDBGZZFP-UHFFFAOYSA-N 348.446 3.690 0 1 EHAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3cccc(Cl)c3)ncc12 1772622563 JJJGBIBALKOLAE-SECBINFHSA-N 345.790 3.503 0 1 EHAF Cc1csc([C@@H]2CC[C@@H](NC(=O)Nc3cccc4[nH]ncc34)C2)n1 169704979 MHISROGAGXEXMG-VXGBXAGGSA-N 341.440 3.786 0 1 EHAF O=C(Oc1ccc(Cn2ccnc2)c2cccnc12)c1ccccc1 1857566991 RSKFSLIKLUNPRJ-UHFFFAOYSA-N 329.359 3.699 0 1 EHAF CSc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1 13492158 OEPQRCGRENMLBF-UHFFFAOYSA-N 349.415 3.968 0 1 EHAF O=C(CSc1c2c(nc3ccccc13)CCCC2)N1CCCC1 4922115 FSXQWAMVJFZSAR-UHFFFAOYSA-N 326.465 3.828 0 1 EHAF O=[S@@]1c2c(F)c(F)c(F)c(F)c2SN1Cc1ccccc1 6579948 JQJAJBBWXSJKOT-NRFANRHFSA-N 333.331 3.789 0 1 EHAF C[C@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C(F)(F)F)cc1)C(C)(C)C 28222804 GHBYBYNYSXGJCP-ZWXRUJEBSA-N 340.345 3.560 0 1 EHAF CCNC(=S)N1N=C(c2ccccn2)C[C@@H]1c1cccc(Cl)c1 103193128 XPKALEDOXMALCQ-MRXNPFEDSA-N 344.871 3.781 0 1 EHAF CC(=O)Nc1cccc(-c2ccc([C@](O)(c3c[nH]cn3)C3CC3)cc2)c1 59972533 WAXZAJPOBWYNFU-OAQYLSRUSA-N 347.418 3.681 0 1 EHAF Cc1cc(-n2cc(C(=O)c3ccccc3)nc2C)cc2ccc(=O)[nH]c12 29340838 GJFCXVIYLBXYGS-UHFFFAOYSA-N 343.386 3.562 0 1 EHAF COc1cc2cc3n(c(=O)c2cc1OC)Cc1cc2ccccc2nc1-3 26990198 RRVHGMULRFKZFH-UHFFFAOYSA-N 344.370 3.596 0 1 EHAF C[C@@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@@]4(C)[C@@H]3CC[C@@]12C 27887296 VQISOTOPDCGBAH-PQXGNSMKSA-N 349.515 3.924 0 1 EHAF O=C(O)[C@H]1Cc2cc([C@H](O)c3cccs3)c(Cl)c(Cl)c2O1 27991103 IOSWZADOXNEVNX-PELKAZGASA-N 345.203 3.525 0 1 EHAF CC(=O)O[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@H](C)C3=O 2356587363 IJGZHMHIRCHAKC-KHPIDCIISA-N 348.483 3.501 0 1 EHAF CC(=CC(=O)N[C@@H]1CCCCNC1=O)CC[C@]1(C)C(C)=CCC[C@H]1C 2356676831 ZVDZALYKOIJILQ-DBXWQHBBSA-N 346.515 3.880 0 1 EHAF COC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801389 IVJOAORQVUYFDW-VMGPXDDKSA-N 347.499 3.639 0 1 EHAF CCOc1ccc(CC[C@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1F 35013145 RASQPPZTYXEHPZ-HXUWFJFHSA-N 348.414 3.992 0 1 EHAF CC[C@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2ccccc2)n1 82133478 JNWFTDWCBFJWGV-HNNXBMFYSA-N 338.455 3.980 0 1 EHAF Cc1ccccc1-c1csc(N2CCC[C@H]2C(=O)NC(C)C)n1 82191949 NOKZDYPBBINCNK-INIZCTEOSA-N 329.469 3.612 0 1 EHAF CCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1 40955496 SXZPDRHCLNZYOT-UHFFFAOYSA-N 343.434 3.974 0 1 EHAF O=C(Nc1nccc(Oc2cccnc2)n1)c1cccc(Cl)c1 96175612 QRNJSBNMWQJRHF-UHFFFAOYSA-N 326.743 3.570 0 1 EHAF Cc1cncc2nc(CCNc3ccc(Br)cc3)[nH]c12 586995340 KMXLBROYXJLQIT-UHFFFAOYSA-N 331.217 3.683 0 1 EHAF O=C(O)CCCCCCCCCCCCc1nc2c(O)ncnc2[nH]1 587957089 GEGWYQABZLWZTI-UHFFFAOYSA-N 348.447 3.977 0 1 EHAF Cc1ncc2c(n1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587527294 RZBNZEHWHMTAHQ-NRFANRHFSA-N 334.419 3.861 0 1 EHAF Fc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1F 587922755 ZRRUVRODVBKKDC-UHFFFAOYSA-N 346.406 3.997 0 1 EHAF CC(C)(C)Oc1ccc(O)n1NCc1ccccc1Br 587939904 GLSPISGURUYNEO-UHFFFAOYSA-N 339.233 3.877 0 1 EHAF CCS(=O)(=O)c1ccc2nc(C(C)(C)c3ccccc3C)[nH]c2c1 587955060 JEOBLYVOXCCZOC-UHFFFAOYSA-N 342.464 3.991 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2)N1 587779810 WGODHBNKQKHHMQ-QLJPJBMISA-N 335.220 3.781 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccnc32)N1 587779652 VGLOTOKFWRYBDC-BTDLBPIBSA-N 347.231 3.707 0 1 EHAF COC(=O)c1cc2[nH]c(CNc3ccccc3Cl)nc2cc1OC 587062035 NQCPWAYWZLFZBT-UHFFFAOYSA-N 345.786 3.624 0 1 EHAF COc1ccc2c(c1)CCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445040 YXVBQRDXNMIRBJ-UTKZUKDTSA-N 336.387 3.683 0 1 EHAF Fc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005911 ZIDBTVSYZFXZAP-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cncnc3)cc1)O2 587394353 FKARBLBEILDUOX-IBGZPJMESA-N 331.375 3.741 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCN(C)C(=O)OC(C)(C)C)O2 587387414 PQQYPWZPQSJKDR-LJQANCHMSA-N 348.443 3.558 0 1 EHAF O=C1CCc2cc3[nH]c(-c4ccc(OC(F)F)cc4)nc3cc2N1 587130474 KQVLVGDFZTZBDB-UHFFFAOYSA-N 329.306 3.716 0 1 EHAF Cc1ncc(C)n2nc(CCc3ccc4ccc(Cl)cc4n3)nc12 1772578679 FATJBQNFQIWTPW-UHFFFAOYSA-N 337.814 3.728 0 1 EHAF CN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(Cl)c(Cl)c1 13283588 WBVZKLOYKPXFFQ-UHFFFAOYSA-N 348.237 3.737 0 1 EHAF CCOC(=O)N1CC[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 13741099 UKOSFGICFAWANG-HNNXBMFYSA-N 333.428 3.962 0 1 EHAF CN[C@@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356380998 XPNRCGMIWMADDB-RODHOTLDSA-N 347.543 3.505 0 1 EHAF COc1ccc2cc(-c3cccc(CO)c3)cc(CCNC(C)=O)c2c1 3950308 BHDVJMSEODZSTD-UHFFFAOYSA-N 349.430 3.686 0 1 EHAF in-vitro Cc1ccc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)nc1 103277168 RVPVOBIEDBWKKK-UHFFFAOYSA-N 345.362 3.566 0 1 EHAF Cc1nc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc2c(=O)[nH]1 100424386 LPNYKAPKBFXENX-BQYQJAHWSA-N 328.375 3.792 0 1 EHAF O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(C2CCCCCCC2)CC1 28765657 SIKXVXOGIUHXJZ-RTBURBONSA-N 333.520 3.900 0 1 EHAF COc1ccsc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1 103236342 HFSAYBUCPISHDM-UHFFFAOYSA-N 341.436 3.767 0 1 EHAF c1ccc2cc(CCO[C@@H]3CCC[C@H]3N3CCOCC3)ccc2c1 28653664 QEJAXXXSUKBUQF-NHCUHLMSSA-N 325.452 3.652 0 1 EHAF CCCCC(=O)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl 26013628 BDFHLRURZGTVEZ-MRXNPFEDSA-N 341.238 3.837 0 1 EHAF Oc1ccc(C2=c3ccc4n3[C@@H](C=CC=4)[C@H]2CCc2ccccc2)cc1 26481786 JPTLGQQTIHMDCX-YADHBBJMSA-N 339.438 3.547 0 1 EHAF CCCC[C@H](CC)C[C@](O)(C=C(CC)[C@@H](O)CC(=O)OC)CC 2356558917 PVKQNBZAJBAVBB-IEZWGBDMSA-N 328.493 3.994 0 1 EHAF CO[C@@H]1CC(=O)c2c(O)cccc2C12Oc1cccc3cccc(c13)O2 2356720212 UDBVCBRXSQGINU-GOSISDBHSA-N 348.354 3.771 0 1 EHAF Nc1ccccc1NC(=O)/C=C/c1ccc(NCc2ccncc2)cc1 36338673 PEKBCRRAUAKSES-JXMROGBWSA-N 344.418 3.928 0 1 EHAF COc1ccc(CC[C@H]2c3cc(OC)c(O)cc3CCN2C)cc1 13405355 IIZILRNADRBANM-SFHVURJKSA-N 327.424 3.571 0 1 EHAF biogenic Clc1ccccc1Oc1cc(NCCc2ccccn2)ncn1 82067779 SBNAUYCXIWWJEV-UHFFFAOYSA-N 326.787 3.972 0 1 EHAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C)cc3)C[C@H]1C=N2 49807362 YDIKLAIPCPADIP-INIZCTEOSA-N 348.402 3.984 0 1 EHAF CC1=CC=C[C@H](N2CCN(C(=O)Nc3cccc(C)c3)C[C@H]2C)C1 40394192 FHPMCTWHYXFYGV-MJGOQNOKSA-N 325.456 3.808 0 1 EHAF O=C(Nc1ccc(F)cn1)c1cc(Cl)cc(Oc2cncnc2)c1 96939172 GAENEKJGLXICIO-UHFFFAOYSA-N 344.733 3.709 0 1 EHAF COc1cc2ncnc(Nc3cc(O)ccc3Cl)c2cc1OC 653726560 TXFSECOZKAKHMC-UHFFFAOYSA-N 331.759 3.750 0 1 EHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Cl)c(F)cc2[nH]1 587051472 CZVKBZJEBVDADQ-LLVKDONJSA-N 340.185 3.957 0 1 EHAF CCCOc1cc2nc(-c3cncc(N)c3)[nH]c2cc1Br 587254368 NPRAFBSQPHYBGG-UHFFFAOYSA-N 347.216 3.758 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cnccc12 587584455 AEJFIZYJDUCIEC-GHTZIAJQSA-N 345.354 3.591 0 1 EHAF O=C1C[C@@](c2ncc[nH]2)(c2ccco2)Oc2c1ccc1c2CCCC1 587528387 YVWOUISWOJUIRJ-FQEVSTJZSA-N 334.375 3.791 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnn1-c1ccc(F)cc1)O2 587386427 YEYARNOESAXZRD-GOSISDBHSA-N 337.354 3.609 0 1 EHAF O=C(Cc1ccccc1)NCCc1nc2cc(Cl)cc(Cl)c2[nH]1 587227891 APUJSWWHJYDOIV-UHFFFAOYSA-N 348.233 3.771 0 1 EHAF COC(=O)C1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587526150 RUFUURMELCAYJD-UHFFFAOYSA-N 328.408 3.633 0 1 EHAF C[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587816919 FYMFCISOOXYNLT-KCWFYHRYSA-N 340.236 3.707 0 1 EHAF COC(=O)c1ccnc([C@H]2CCCc3c2nc2cccc4c2c3CC4)c1 587211210 BKWAWCJMVIGZOM-QGZVFWFLSA-N 344.414 3.983 0 1 EHAF Clc1cncc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587042662 VLSNTVCGGCVOQD-UONOGXRCSA-N 330.844 3.558 0 1 EHAF Cc1nn(C)cc1-c1[nH]c2ccc(F)c(Cl)c2c1N1CCOCC1 587632112 PDSKNNCPFQKDSD-UHFFFAOYSA-N 348.809 3.506 0 1 EHAF COC(=O)C[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1C 587521297 BTXOQDUSNVFQFJ-VWVPQACVSA-N 342.435 3.879 0 1 EHAF O=c1ccc2cc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)ccc2o1 586919045 XSFSTKQYDFVAAN-UHFFFAOYSA-N 331.253 3.750 0 1 EHAF COC(=O)c1ccnc2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc12 587131318 DWKYCPCADKEZLR-UHFFFAOYSA-N 343.333 3.626 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)cc1OC)CC2=O 587472701 KZSXYFNIFWZKDL-HXUWFJFHSA-N 341.407 3.816 0 1 EHAF COc1cc(OC)c2nc(-c3nc4ccc(OC)cc4s3)[nH]c2c1 587034902 IRHYCMYFNVDGTC-UHFFFAOYSA-N 341.392 3.865 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3cccnc3c1)CC2=O 587486157 SUCOJNFWTVCHMS-LJQANCHMSA-N 334.375 3.994 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(F)c2)N1 587732446 MMUGYUFYDRCUCI-AYVTZFPOSA-N 339.183 3.746 0 1 EHAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587401733 XLQJVFMKBKEMKB-XOBRGWDASA-N 345.439 3.671 0 1 EHAF O=C(c1ccsc1)[C@@]1(c2ccsc2)NCCc2ccc(O)cc21 963353845 ULXBXHGRBBKIDK-SFHVURJKSA-N 341.457 3.787 0 1 EHAF COc1cc2c(cc1OC)[C@@](CCC(=O)O)(C(C)(C)C)N(C)[C@H](C)C2 962640012 YJLYEQBHYPCYID-XCLFUZPHSA-N 349.471 3.686 0 1 EHAF Cn1cc(Cn2cc(-c3ccc(Cl)c(OC(F)F)c3)cn2)cn1 1772615362 TYWLMLPPMXWFPX-UHFFFAOYSA-N 338.745 3.587 0 1 EHAF COc1cccc(-c2n[nH]c(Cc3ccccc3Br)n2)c1 13589627 PMOODDTWYPYOMD-UHFFFAOYSA-N 344.212 3.834 0 1 EHAF CNC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@H](c1ccccc1)C2 13983764 KXVHKHXRXCNPOC-INIZCTEOSA-N 333.435 3.583 0 1 EHAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1ccc(Cl)cc1 19314854 HDAJKNDDOIPHFG-WSTOHFRZSA-N 335.787 3.761 0 1 EHAF O=C(c1cc(Cc2ccccc2)c(O)cc1O)N1Cc2ccccc2C1 1857629412 DRFZWGIGMCVSAL-UHFFFAOYSA-N 345.398 3.845 0 1 EHAF OCc1ccc(-c2nn(Cc3ccccc3)c3cc4c(cc23)OCO4)o1 3494 TTXRIIMNVADSGE-UHFFFAOYSA-N 348.358 3.566 0 1 EHAF COc1ccc([C@H]2COC[C@@H]2c2ccc(OC)c(OC)c2)cc1OC 2356341211 IWFDIRAQIJKUJO-HZPDHXFCSA-N 344.407 3.619 0 1 EHAF C[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O 6494579 HKJDKJAZZLLONW-YMWZRXTESA-N 329.293 3.907 0 1 EHAF CC1(C)C=Cc2c(ccc3c2O[C@@H](c2ccc(O)cc2O)CC3=O)O1 2356445237 ZMDUCZDAIRFUFA-GOSISDBHSA-N 338.359 3.989 0 1 EHAF Fc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1 28394427 AYOGHBUPIKZKBG-UHFFFAOYSA-N 335.317 3.670 0 1 EHAF CCOC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2C(F)(F)F)C1 61906660 BBTUNWCMSJBUBP-INIZCTEOSA-N 343.345 3.511 0 3 EHAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@@H]2C=C[C@@H](O)[C@]21C 2356756458 HRUZZZOEFXPPFR-LABPFTBVSA-N 346.511 3.732 0 1 EHAF COc1ccccc1-c1nc2ccccc2n1C(=O)c1cccnc1 40405197 DTIBQHNUQMBNHF-UHFFFAOYSA-N 329.359 3.795 0 1 EHAF COc1cccc(CSc2nc(N)cc(Cc3ccccc3)n2)c1 49055674 NEIWFLIQHFOTGC-UHFFFAOYSA-N 337.448 3.951 0 1 EHAF C[C@@H](c1ccccc1)n1c(NC(=O)C2=NC(=O)N=N2)nc2ccccc21 618014677 DEHKZFFEYBUVSH-NSHDSACASA-N 346.350 3.568 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccccc3)c1C)O2 587392865 WLZIEXSNXFZSSL-LJQANCHMSA-N 333.391 3.778 0 1 EHAF CCCN1C(=O)[C@](O)(c2c(C)[nH]c3cccc(F)c23)c2ccccc21 587636877 NDONKWMLMOBXIF-HXUWFJFHSA-N 338.382 3.608 0 1 EHAF COc1ccc(C)cc1NCCCc1nc2ccc(C(=O)O)cc2[nH]1 587229107 OLDTXWZVHFVGDS-UHFFFAOYSA-N 339.395 3.623 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnsc2)N1 587859953 ZFZBYTOEJCRMAU-CPFSXVBKSA-N 327.222 3.668 0 1 EHAF CN(C)CCOc1ccc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1 587252189 SNGWNALXUXYJMD-UHFFFAOYSA-N 346.434 3.906 0 1 EHAF COC(=O)c1ccc2nc(CNc3ccccc3Cl)[nH]c2c1OC 587062804 WJNUVASGZDKLMZ-UHFFFAOYSA-N 345.786 3.624 0 1 EHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(F)cc2[nH]1 586973050 MNBDUIUEIZARJQ-QGZVFWFLSA-N 343.427 3.813 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(F)cc(F)c41)[C@@H](C2)C3=O 587428478 OTZIOGXQDKPOTB-DJJJIMSYSA-N 328.314 3.563 0 1 EHAF CC(C)(C)c1ccc2nc(CSc3nnc(S)s3)[nH]c2n1 587026439 XCZLSRNSSJANER-UHFFFAOYSA-N 337.499 3.688 0 1 EHAF CC1(C)OC(=O)C[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586908002 ITJWYBPLMRNQFA-CQSZACIVSA-N 334.375 3.603 0 1 EHAF Oc1nc(O)c2ccc(-c3ccc(-c4ccccc4)c(F)c3)nc2n1 587368730 WCPPLDSIVJMBHW-UHFFFAOYSA-N 333.322 3.909 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)cc(Br)c1)O2 587377629 OFYYYWNNISCBGF-OAHLLOKOSA-N 348.196 3.752 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3nccc-3c1Cl)O2 587380618 WTHIJGGRNBTUMJ-CQSZACIVSA-N 327.771 3.765 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cscn2)N1 587851820 CTDDDYQOGVHHGT-CLAHSXSESA-N 341.249 3.842 0 1 EHAF COC(=O)CCCC[C@@H](C)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440838 BLQWLOZOAZKOCJ-URFZZILJSA-N 346.423 3.571 0 1 EHAF CC[C@@H]1C(=O)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587817359 KSRXVAGOGXHXRB-RDGWCUKFSA-N 340.236 3.707 0 1 EHAF Fc1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587119377 CDSDQXCNLUOJNQ-UHFFFAOYSA-N 338.308 3.844 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nn(C)c1C)CC2=O 587474443 DZUJBTZGYGEEKG-LJQANCHMSA-N 328.412 3.576 0 1 EHAF Clc1nccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587043430 ZLWZYLZVAWVFDI-OLZOCXBDSA-N 330.844 3.558 0 1 EHAF Cc1ccc2oc([C@@H]3NCCc4ccc(C(=O)N(C)C)cc43)cc2c1 962920328 AHFKHBAELHWKLC-HXUWFJFHSA-N 334.419 3.678 0 1 EHAF COc1cccc2c(CCCNCCOc3ccccn3)cccc12 13470672 DFNUNBHMMOZMON-UHFFFAOYSA-N 336.435 3.845 0 1 EHAF COc1cc(NC2=NC[C@@H](c3ccccc3)O2)ccc1-c1cnco1 13860202 XEVVOUFGAKOLCF-KRWDZBQOSA-N 335.363 3.890 0 1 EHAF FC(F)(F)c1cccc(-c2noc(C[C@@H]3CN4CCC3CC4)n2)c1 1857571978 KENSXHXMMXYIKQ-CYBMUJFWSA-N 337.345 3.640 0 1 EHAF CN1CCCC[C@H]1CCN1c2ccncc2Sc2ncccc21 1857748556 ISCLMZLMGLVXAT-AWEZNQCLSA-N 326.469 3.954 0 1 EHAF O=C1[C@H]([C@@H](O)c2ccc3ccccc3n2)CCCN1Cc1ccccc1 103295706 GKEQPPKDUAESCX-GHTZIAJQSA-N 346.430 3.707 0 1 EHAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O 2356542951 CJSXBURXAUDUSP-LPPQKWGASA-N 348.483 3.502 0 1 EHAF CC(=O)N1CCC[C@]1(Cc1ccccc1)C1=N[C@H](c2ccccc2)CO1 84758855 YBYWMKSMBQDBKC-UNMCSNQZSA-N 348.446 3.780 0 1 EHAF Cc1cc(Cl)cc2c([C@H](O)c3cccnc3)c3c(C)n[nH]c3nc12 82154170 HYMHPKUKPVAHSK-QGZVFWFLSA-N 338.798 3.858 0 1 EHAF Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)[C@H](CCC[C@@]1(C)O)C2=O 238730924 JAUSPTWEASSNRQ-WNISUXOKSA-N 348.439 3.972 0 1 EHAF O=C(Cc1ccccc1)Nc1cc(OCc2ccc(F)cc2)ccn1 95590749 QXPAALCSPCZCRG-UHFFFAOYSA-N 336.366 3.981 0 1 EHAF CC(=O)c1c(C)[nH]c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587397589 XZGVIUWWXSFGQT-LJQANCHMSA-N 326.396 3.605 0 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COc1cc2c3c(c1)O[C@@H](c1ccnc4ccc(OC)cc14)[C@@H](C2)C3=O 587435019 AUSNTKNZZBAVIQ-KKSFZXQISA-N 347.370 3.741 0 1 EHAF N[C@H](c1ccsc1)c1nc2cc(F)cc(Br)c2[nH]1 587025464 MOXHGQRQZAWJCM-SNVBAGLBSA-N 326.194 3.574 0 1 EHAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CN(C#N)C[C@]4(C)[C@H]3CC[C@]12C 5434297 LJZPRPPBYVQIIF-RBZZARIASA-N 330.472 3.574 0 1 EHAF O=c1ccc2ccc(CNCCNc3ccc(Cl)cc3)cc2o1 13800767 SUJOXUGKODJLMD-UHFFFAOYSA-N 328.799 3.648 0 1 EHAF CN1C[C@@H](c2ccc3c(c2)OCO3)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21 169317783 DWXWESOUQKEWHA-ZRGWGRIASA-N 346.430 3.809 0 1 EHAF O=C(Nc1cccc(Cl)n1)c1cc(Oc2cccnc2)ccn1 167361580 LBSBYZVEDGLNRA-UHFFFAOYSA-N 326.743 3.570 0 1 EHAF O=C(Cn1c(-c2cncs2)nc2ccccc21)NC1CCCCC1 201474734 GLBHYZONSXGZBL-UHFFFAOYSA-N 340.452 3.609 0 3 EHAF C/C(=C\C(=O)O)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](O)[C@]2(C)O 1857548122 JWWWAEIMVGEDRK-CIBQXDHWSA-N 338.488 3.762 0 1 EHAF Cc1nnc2n1-c1ccc(N)cc1[C@H](Nc1ccc(Cl)cc1)CC2 1857618180 QJLQVINRJDSYPJ-MRXNPFEDSA-N 339.830 3.911 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356309322 WOUWWZYKGYDVMI-IJEDEJJQSA-N 332.484 3.774 0 1 EHAF O=C(c1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 101627840 YGMGLZNQTZCQPI-ROUUACIJSA-N 343.373 3.620 0 3 EHAF CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(C)c2)cc1 100109471 RINXKCBBLBUUFP-AERCQKQUSA-N 349.478 3.521 0 1 EHAF O=C(c1ccc2ccccc2c1)[C@H](c1ccccc1)P(=O)(O)O 27879765 XVXRNTOTXWKEAH-SFHVURJKSA-N 326.288 3.942 0 1 EHAF O=C(Nc1c(F)cccc1F)c1cc(C(=O)c2ccccc2F)c[nH]1 53244023 JONPLOXVIREWEK-UHFFFAOYSA-N 344.292 3.915 0 1 EHAF COc1ccccc1CN1CCC[C@H](Nc2ccc3[nH]ncc3c2)C1 114337841 XGAOBHWQHSZCKT-SFHVURJKSA-N 336.439 3.648 0 1 EHAF COc1cc([C@]2(C)[C@@H](C)C=C[C@H]3CCC[C@H](C)[C@H]32)oc(=O)c1C=O 28967125 VJWRZMQZHDPEMN-LSVSEMBBSA-N 330.424 3.977 0 1 EHAF C[C@@H]1N=CN(Nc2cccc(Cl)c2)[C@H]1c1cccc(C(=O)O)c1 29327640 RNGZJSFGXQBNHI-MEDUHNTESA-N 329.787 3.839 0 1 EHAF CC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3ccccc3)cc2)C1 72123153 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587210967 IZMISOYZGYAWGD-UHFFFAOYSA-N 342.402 3.649 0 1 EHAF COP(=O)(C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)OC 587530247 FJBVFBZAVGKIEF-KRWDZBQOSA-N 338.340 3.775 0 1 EHAF COC(=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2n1 586899369 ZHHRGZCMKFXIPA-UHFFFAOYSA-N 345.358 3.784 0 1 EHAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(=O)OC)ncc2[nH]1 587952586 UELIHSORUREDKD-WQGACYEGSA-N 331.416 3.791 0 1 EHAF NC(=O)Nc1cccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587241486 DPNCOWVBLUQPHZ-UHFFFAOYSA-N 336.273 3.619 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CO)cc1 587610058 PJAWJSJOTRWHJU-RXVVDRJESA-N 348.354 3.587 0 1 EHAF NC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501035 FKBKBFAHZNHESS-FQEVSTJZSA-N 325.383 3.524 0 1 EHAF O=C1CCc2cc3nc(-c4cncc(C(F)(F)F)c4)[nH]c3cc2N1 587115630 SNSNFXGQSBOVBU-UHFFFAOYSA-N 332.285 3.528 0 1 EHAF CC(=O)[C@@H](N=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988994 VRXUJPJWUBJXTJ-GOSISDBHSA-N 332.315 3.548 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)N)CC2=O 587472864 NRMBGWFNLJPDGO-ZUOKHONESA-N 325.408 3.553 0 1 EHAF CC(C)COC(=O)N1CCC2(CC1)NCCc1cccc(Cl)c12 963391091 PRHRZLDHIFAEAT-UHFFFAOYSA-N 336.863 3.569 0 1 EHAF C[C@]1([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)CCCO1 962704706 LNXHPPDDAQYACF-GDIGMMSISA-N 335.488 3.974 0 1 EHAF O=C1c2ccc(F)cc2C(=O)N1c1nc(-c2ccc(F)cc2)cs1 1772582313 CBUSUWLTWNRIAS-UHFFFAOYSA-N 342.326 3.889 0 1 EHAF Oc1ccc2nc(CN3CCC(Cc4ccc(F)cc4)CC3)[nH]c2c1 13560456 PAFKHYPPLMSWPU-UHFFFAOYSA-N 339.414 3.862 0 1 EHAF O=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccccc3n12 13675603 BFVHCJSDSWWYEY-UHFFFAOYSA-N 338.370 3.700 0 1 EHAF COc1ccc(CCCc2cc(OC)c(C[C@@H](C)N)cc2OC)cc1 13809606 QQVQBSXATXKAAM-OAHLLOKOSA-N 343.467 3.777 0 1 EHAF COc1ccc2ccc(OC)c3c2c1CC[C@@H]3CCNC(=O)C1CC1 13834448 UAPZTVJWPDUSRR-CQSZACIVSA-N 339.435 3.803 0 1 EHAF CSc1nn(-c2ccccc2)c2cc(/C=C/n3cncn3)ccc12 169706045 BEAHENOOTGRRGU-MDZDMXLPSA-N 333.420 3.967 0 1 EHAF COc1ccc(CN2C(=O)[C@H](n3cccc3)c3cc(F)ccc32)cc1 206026781 DQCKBEGXDXRZON-LJQANCHMSA-N 336.366 3.772 0 3 EHAF COc1ccccc1-c1cn(Cc2cc(-c3ccccc3)no2)nn1 1857768023 LDWRNMKCOXFLLE-UHFFFAOYSA-N 332.363 3.657 0 1 EHAF Cc1[nH]c(=O)c(C(=O)c2ccccc2)c2c1C[C@@H](c1ccncc1)CC2 27108272 WFLILIJGFUHRJE-KRWDZBQOSA-N 344.414 3.582 0 1 EHAF CC(C)(C)NC[C@@H](O)c1cc2cccc(CC(=O)OC(C)(C)C)c2o1 29314455 WZHFKJDOKXBZLW-OAHLLOKOSA-N 347.455 3.739 0 1 EHAF CSc1ccc(C(=O)c2ccc3n2CCCC[C@@H]3C(=O)O)cc1 25992195 NEVXLKGMJJKGFT-AWEZNQCLSA-N 329.421 3.793 0 1 EHAF C[C@@]1(c2ccc(N)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O 28978514 ZXMBMQDHWDFNAO-INIZCTEOSA-N 335.190 3.668 0 1 EHAF O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(Br)n1 34817145 ZRIKCHTYPKQHDP-MEBBXXQBSA-N 349.615 3.875 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4c(c(C)c3CC[C@H]21)CC(=O)O4 13384009 JEQZYODIZNIDJE-DUXKGJEZSA-N 342.435 3.640 0 1 EHAF biogenic c1cnc2cc(-c3cnnn3C3C4CC5CC(C4)CC3C5)ccc2n1 73222857 LETAJZYCXACVJZ-UHFFFAOYSA-N 331.423 3.886 0 1 EHAF CCCCSc1nc(N)c2ncn(Cc3c(F)cccc3F)c2n1 40915606 YLJKKYGYBWQQIL-UHFFFAOYSA-N 349.410 3.627 0 1 EHAF COCCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2F)n1 82175110 VJBDSSVIUDUGML-UHFFFAOYSA-N 342.374 3.695 0 1 EHAF CC1=CCC[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@@H](C)C[C@@H](O)[C@@]13CO4 238770766 UQXIOGAOBOQKTA-WBUMTXOPSA-N 330.424 3.755 0 1 EHAF CCCCC[C@H]1/C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 231931101 BJXHXZDHQUYRMA-NGDVDMEJSA-N 334.456 3.731 0 1 EHAF Cc1nnc(-c2ccccc2-c2ccc(CN3CCOCC3)cc2)o1 98084149 PONVYQWSVWRTNT-UHFFFAOYSA-N 335.407 3.544 0 1 EHAF Cc1cccnc1NC(=O)c1ccc(N2CCc3ccccc3C2)nc1 95586088 VFNZZHVRBYFIFJ-UHFFFAOYSA-N 344.418 3.600 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1csc(C(=O)O)c1)CC2=O 587495360 QIBVVYYDJFXTPJ-GOSISDBHSA-N 346.404 3.985 0 1 EHAF N=c1[nH]c2nc(Cc3cccc(-c4ccccc4)c3)nc-2c(Cl)[nH]1 587960412 BYVYIYSBNNOVME-UHFFFAOYSA-N 335.798 3.628 0 1 EHAF C[C@@]1([C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360475 VNEGSTNKPWULOM-BJLQDIEVSA-N 342.366 3.828 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12Cc1ccccc1C2 587602263 HGVUQMOIBGABGX-LJQANCHMSA-N 344.366 3.891 0 1 EHAF 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EHAF CC1(C)C[C@@]2(CN(Cc3ccccc3)C(=O)CO2)c2ccccc2O1 40874225 YRLHXNUPPMPZAP-OAQYLSRUSA-N 337.419 3.502 0 1 EHAF CC[C@]1(C(=O)N[C@H](C)[C@H]2CC2(Cl)Cl)[C@@H](C)C1(Cl)Cl 299847804 RQLQTDYMCOZYRT-FDDDBJFASA-N 333.086 3.905 0 1 EHAF COc1ccc2[nH]c3c(c2c1)CCCN1C(=O)c2ccccc2N(C)[C@@H]31 473088058 HSAPOWSUMOBMSO-HXUWFJFHSA-N 347.418 3.714 0 1 EHAF O=c1cc(Cn2ccnc2)c2ccc(OCCc3ccccc3)cc2o1 299821003 IJLZGVSYWKRHDG-UHFFFAOYSA-N 346.386 3.659 0 1 EHAF CC(C)[C@@H](O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1 299863037 KKSZLFGYVSHPIV-OAQYLSRUSA-N 335.403 3.900 0 1 EHAF Cc1nc2sccn2c1C(=O)Nc1ccc(Br)cc1 653801358 XNTOFAGEGZIMTB-UHFFFAOYSA-N 336.214 3.719 0 1 EHAF Cn1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576323 IQYMMDRMFWHNNG-YLJYHZDGSA-N 335.359 3.608 0 1 EHAF Cc1cc2[nH]c(-c3ccc(NC(N)=O)cc3)nc2cc1Br 587244205 YELVOEFOYOJJLE-UHFFFAOYSA-N 345.200 3.791 0 1 EHAF C[C@H]1C[C@@H](C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587823102 OGDHUSKSVNPKBD-PIAUOXEZSA-N 340.236 3.563 0 1 EHAF Cc1c(Cn2cncn2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097914 QRUOOROYRIXOLB-UHFFFAOYSA-N 340.386 3.703 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(Cc1cccc(OC)n1)CC2=O 587490774 ZMUMDEXMQLLYCR-HXUWFJFHSA-N 341.407 3.715 0 1 EHAF O=Cc1cc(Br)cc(-c2nc3cccc(C(=O)O)c3[nH]2)c1 586982548 LXEAVMUOLRSAOY-UHFFFAOYSA-N 345.152 3.503 0 1 EHAF COc1ccoc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614577 CTQALTOHCWPING-DNVCBOLYSA-N 338.315 3.697 0 1 EHAF COC(=O)C[C@H](C)Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587782938 ASYNOTDYNSKIOC-SSDOTTSWSA-N 334.725 3.977 0 1 EHAF Cc1nc(COc2cccc(-c3nc4c(N)ccnc4[nH]3)c2)cs1 587020815 YLIGRZAUAOHIDN-UHFFFAOYSA-N 337.408 3.551 0 1 EHAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 587963230 LVFJRRAGFBVBBX-YUMQZZPRSA-N 325.181 3.622 0 1 EHAF Clc1ccc2ccn(Cc3nc4cc5c(cc4[nH]3)OCO5)c2c1 587078943 DLEWKTZSTYCOCQ-UHFFFAOYSA-N 325.755 3.948 0 1 EHAF COCC[C@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587536090 RGPZGXWUHVLESV-OAQYLSRUSA-N 344.451 3.733 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC(C)(C)C2)N1 587831202 HHBMLMSQQVCOMU-QLJPJBMISA-N 342.252 3.907 0 1 EHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)ncc2[nH]1 587928260 ZZZIDQNRILUMSY-GFCCVEGCSA-N 327.384 3.526 0 1 EHAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(=O)O)cc3[nH]2)s1 587014436 LSETZVSSYSUOSS-VIFPVBQESA-N 331.397 3.791 0 1 EHAF NC(=O)N1CCc2sccc2[C@@]1(c1cccnc1)C1CCCC1 962708016 JJSQFRBZOXPRHQ-SFHVURJKSA-N 327.453 3.514 0 1 EHAF CC(C)c1c(Sc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O 5963311 LWWXRGHSBKDLFT-UHFFFAOYSA-N 342.464 3.777 0 1 EHAF COc1cccc2c1CCC[C@H]2CCCNCCOc1ccccn1 13470663 HETKYUVAGHVYTA-KRWDZBQOSA-N 340.467 3.959 0 1 EHAF COc1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1 14964198 UBZUXVQIHHRQHG-UHFFFAOYSA-N 330.388 3.988 0 1 EHAF COc1ccc(-c2ccnc3n[nH]c(-c4ccccc4OC)c23)cn1 206016136 GOKKCMDPGREIGB-UHFFFAOYSA-N 332.363 3.704 0 3 EHAF Fc1ccc2c3c([nH]c2c1)CN1CCc2cc4c(cc2[C@@H]1C3)OCO4 209386718 NLRFTUGWWMRTOZ-SFHVURJKSA-N 336.366 3.691 0 1 EHAF Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 6528587 HEYZGOBFERKUEY-BBWFWOEESA-N 328.456 3.527 0 1 EHAF CC(=CC[C@H](O)C(C)=CCO)CCC=C(C)[C@H]1CC=C(C)C(=O)O1 2356348679 AQSHRPRBLNBKLZ-RBUKOAKNSA-N 334.456 3.611 0 1 EHAF O=C(c1ccc2[nH]ncc2c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 117629468 KWYKSMXBVKWBOZ-ICSRJNTNSA-N 331.419 3.898 0 1 EHAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(Br)cc1)S2 28643826 RARSABFRLWAEFW-FQUUOJAGSA-N 341.270 3.990 0 1 EHAF COP(=O)(OC)O[C@H](c1ccc(F)cc1)P(=O)(OC)OC 29224760 BJCMUYYXNMUCGG-NSHDSACASA-N 342.196 3.728 0 1 EHAF CC(C)=C[C@@H](O)CC(C)=CCOc1cc2oc(=O)ccc2cc1O 2356579143 RAMCPIBPYJZTNE-OAHLLOKOSA-N 330.380 3.541 0 1 EHAF C=CC1=C([C@@H](C)c2cccc3c2COC3=O)[C@H](c2ccoc2)OC1=O 14690297 SOQMKYUDTQPTRT-VOJFVSQTSA-N 336.343 3.834 0 1 EHAF biogenic COC(=O)c1cc(Cc2ccccc2OC)nc2ccc(F)cc12 72110935 LWSBSOKRBMQOPC-UHFFFAOYSA-N 325.339 3.760 0 1 EHAF CNc1cccc(Nc2nc(N)c(C(=O)c3cccc(F)c3)s2)c1 71317425 JVLUKLANRWXEHV-UHFFFAOYSA-N 342.399 3.881 0 1 EHAF O=C(O)c1cn(Cc2ccc(C3CC3)cc2)c2c(F)cccc2c1=O 45348359 VTVOOWBREQZUBV-UHFFFAOYSA-N 337.350 3.765 0 1 EHAF COc1ccc(C[C@H](C)NC[C@H](O)c2cccc(Cl)c2F)cc1 45202796 SVZZSMCZIHEIRF-SJCJKPOMSA-N 337.822 3.742 0 1 EHAF CC1(C)CCC[C@@]2(C)[C@@H]3C=C4C(=CC(=O)O[C@@H]4O)O[C@]3(C)CC[C@H]12 238772498 CEALEKGWMIZUGO-IBMXSDLOSA-N 332.440 3.703 0 1 EHAF CSc1cc(/C=C/c2ccc(O[C@H]3CCCCO3)cc2)nc(N)n1 96914142 PDCOCMPANATOLQ-JZLODUJNSA-N 343.452 3.857 0 1 EHAF O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@H]1C(F)(F)F 653663438 OAODSMWKFRASCR-HNNXBMFYSA-N 337.297 3.622 0 1 EHAF COc1cncc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033113 SXXFKZDEVOHECO-UHFFFAOYSA-N 336.420 3.974 0 1 EHAF CC(=O)[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601523 SPLCGIAKTWHIOQ-FXAWDEMLSA-N 340.375 3.728 0 1 EHAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 587797773 TWIVHBLRVLBINE-JKYUHCHBSA-N 325.181 3.508 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nn(C)c1C)O2 587392392 ZCEGVRSNSGOGNN-SFHVURJKSA-N 347.418 3.993 0 1 EHAF COc1ccc2nc(-n3ncc4ccc(Cl)cc4c3=O)sc2c1 587654737 YSPYSXMGBGZSJK-UHFFFAOYSA-N 343.795 3.657 0 1 EHAF CS(=O)(=O)/C=C\c1nc2ccc(Sc3ccccc3)cc2[nH]1 586924649 DUNQXXILYBXUEV-KTKRTIGZSA-N 330.434 3.729 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3ccc(N)cc3)nc2c1 587251557 ITROOARNBLOKAV-DAXSKMNVSA-N 327.771 3.756 0 1 EHAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587964035 YPVDKFRRUYVSGR-UKRRQHHQSA-N 332.403 3.952 0 1 EHAF CCOC(=O)[C@H](CC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526568 UNIZEWHFUKITTA-JXFKEZNVSA-N 330.424 3.879 0 1 EHAF Oc1c(-c2nc3cc(Br)cnc3[nH]2)ccc2c1CCCC2 586899423 ZZYVAVDVYBGWHA-UHFFFAOYSA-N 344.212 3.972 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Br)c1N)O2 587377864 PHYHDUPWGCIPEV-CQSZACIVSA-N 347.212 3.628 0 1 EHAF C[C@@H](F)[C@@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962961874 WVUWVIJUTFPYPG-IAQYHMDHSA-N 331.353 3.930 0 1 EHAF CCOC(=O)c1ccnc([C@H]2N[C@@H](CC)Cc3c2[nH]c2ccccc32)c1 962956983 ZFAIXEBQZJQWAQ-VBKZILBWSA-N 349.434 3.753 0 1 EHAF CCCC(=O)NC[C@@H]1CCCCc2c1c1cc(OC)ccc1n2C 13777911 QTBHGNLTPMFKDT-AWEZNQCLSA-N 328.456 3.913 0 1 EHAF O=C1Nc2cc(F)ccc2CN1c1csc(-c2ccncc2)n1 14974676 QHNBDDABNDUESC-UHFFFAOYSA-N 326.356 3.896 0 1 EHAF N[C@H]1Cc2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2C1 164978274 YGZVYIKJCPRANR-ZDUSSCGKSA-N 348.427 3.541 0 1 EHAF CCn1c(=O)c2cn[nH]c2c2ccc(-c3cccc(OC)c3F)cc21 205099477 NKTLYTRFTRBHAM-UHFFFAOYSA-N 337.354 3.712 0 1 EHAF O=C(Nc1ccccc1)N1CCN(c2cccc3ncccc23)CC1 1857650691 ASVFLYGSJJAYEW-UHFFFAOYSA-N 332.407 3.589 0 1 EHAF Cc1ccn(-c2ccc(C(=O)N3CCC[C@@H](O)c4ccccc43)cc2)n1 1857761133 QBJJGWYSANHTJY-HXUWFJFHSA-N 347.418 3.655 0 1 EHAF CCN1CCC[C@@H]1CNC(=O)c1cc2c(C)nc3ccccc3c2o1 4057413 RTKLGPKHHCHQMK-CQSZACIVSA-N 337.423 3.504 0 3 EHAF C1=C(c2ccccc2)CCN(c2nc3ccccc3n3cnnc23)C1 4910291 PYBXYFHUQAWKOU-UHFFFAOYSA-N 327.391 3.571 0 3 EHAF Cc1ccnc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)c1 103277167 XSKXBAMGYZMKIR-UHFFFAOYSA-N 345.362 3.566 0 1 EHAF COc1ccc(Cn2c(Cl)nc3c(-c4ccco4)ncnc32)cc1 28877888 ZUODHXUAARYOIF-UHFFFAOYSA-N 340.770 3.797 0 1 EHAF COc1ccc(Cn2cnnc2-c2ccc3[nH]cnc3c2)cc1Cl 118806477 XIDDSNICUCAOGN-UHFFFAOYSA-N 339.786 3.532 0 1 EHAF COc1ccc2c3c1O[C@H]1CC[C@H](C)[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 26669692 ZBWRAFCZORHKCH-RTHQLGOLSA-N 339.479 3.781 0 1 EHAF O=S(=O)(c1ccc(O)cc1)N(c1ccccc1)C1CCCCC1 28570099 INJVHCJLNBTEGC-UHFFFAOYSA-N 331.437 3.920 0 1 EHAF in-vivo O=c1oc2ccc(Cl)cc2c2nc(-c3ccc(Cl)cc3)nn12 26278140 BTUTUADLWXIICS-UHFFFAOYSA-N 332.146 3.810 0 1 EHAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC(=CCO)CO 2356558906 PMZIYJMAYWHWNG-SIKIZQCASA-N 336.472 3.541 0 1 EHAF O=C(C(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1)c1ccco1 39404885 MXAPANQIGSKOKK-CYBMUJFWSA-N 347.361 3.612 0 1 EHAF O=C1CCCN1c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144724525 ONDOEOHVFSWVLR-KRWDZBQOSA-N 333.309 3.592 0 1 EHAF CC(C)n1cc(C2=NCc3ccnc(O[C@H](C)C(F)(F)F)c32)cn1 96175988 XJZFAVOWIMYVGP-SNVBAGLBSA-N 338.333 3.540 0 1 EHAF COc1ccc(-c2nc3ncccn3c2-c2nc3ccccc3[nH]2)cc1 473151829 RJTVSAFICAJWPB-UHFFFAOYSA-N 341.374 3.948 0 1 EHAF O=C1C[C@H](c2ccnc3nccnc23)Oc2c1ccc1c2CCCC1 587527798 UVGQIKRFPASSQZ-QGZVFWFLSA-N 331.375 3.610 0 1 EHAF COc1cc2c3c(c1)O[C@](/C=C(\C)N(C)C)(c1ccccc1)[C@@H](C2)C3=O 587429147 NVKBXMCHJQSQER-HTOCZUBZSA-N 349.430 3.804 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cnn(CC)c1)CC2=O 587474744 HMKMUYHSXGEUSE-LJQANCHMSA-N 328.412 3.832 0 1 EHAF COc1ccc(C=O)c(-c2nc3c(ccc4nc(C)ccc43)[nH]2)c1OC 587796088 PBHJEOYKSLIOJX-UHFFFAOYSA-N 347.374 3.916 0 1 EHAF CCOC(=O)[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525813 SCNNFWHAZJIERT-OXQOHEQNSA-N 328.408 3.633 0 1 EHAF FC(F)(F)c1ncc2nc(CNc3ccccc3Cl)nc-2[nH]1 587062980 YRTGCUAFDFFFRL-UHFFFAOYSA-N 327.697 3.589 0 1 EHAF COC(=O)Nc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cn1 587244855 MEBZZDJIVLZZGE-UHFFFAOYSA-N 338.154 3.505 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc3c1OCC3)O2 587380875 XQSIBSXIMOLQAZ-MRXNPFEDSA-N 329.783 3.872 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c(C(=O)OCC)c1)CC2=O 587480037 BUFJARDBZNXHME-KRWDZBQOSA-N 343.379 3.556 0 1 EHAF N[C@H](c1ccsc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587024598 CQGVUXQFHVTVKE-QGZVFWFLSA-N 333.416 3.904 0 1 EHAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1O 587373388 DAFIMKOVWIKSLY-AWEZNQCLSA-N 333.771 3.651 0 1 EHAF COC(=O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1OC 586886983 HDLZGOZSJGIDRU-BTYIYWSLSA-N 348.402 3.730 0 1 EHAF CCn1c(O)c([C@H](C)Nc2cccc(OC)c2)c(=O)c2ccccc21 5686899 BFJAHTSXUPCLKI-ZDUSSCGKSA-N 338.407 3.909 0 1 EHAF biogenic Cc1cc(-c2cc(C(=O)Nc3ccccc3)on2)nc(NCC2CC2)n1 12727047 LVTPBOMQJBJXPY-UHFFFAOYSA-N 349.394 3.514 0 3 EHAF C[S@](=O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1 13758996 DWWBLDHPIXBVRR-XMMPIXPASA-N 343.427 3.520 0 1 EHAF CNc1ncc(-c2ccnc(NC3CCCCC3)n2)c(CC2CC2)n1 200572970 ZPIXKMLZMYJTDN-UHFFFAOYSA-N 338.459 3.672 0 1 EHAF CC[C@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 29470244 RUNRCUXZMMKEMO-JNHSIYEJSA-N 339.479 3.676 0 1 EHAF O[C@H](CCN1CCC(c2ccccc2)CC1)COc1ccccc1 29482451 JGNITARUMMVCIS-HXUWFJFHSA-N 325.452 3.696 0 1 EHAF c1cc2c(cc1OCCCN1CCCCC1)CCN(CC1CC1)CC2 33964661 FVUHMXKJJTVQKK-UHFFFAOYSA-N 342.527 3.752 0 1 EHAF COc1ccc([C@H]2c3ccccc3-c3nc(N)nc(N)c3[C@@H]2C)cc1 45228839 SEINHRLAJDFYDA-BZNIZROVSA-N 332.407 3.566 0 1 EHAF CC1(C)C=Cc2cc([C@@H](O)c3cn(Cc4ccccc4)nn3)ccc2O1 72182020 HAQRAWLDPZTTAJ-HXUWFJFHSA-N 347.418 3.592 0 1 EHAF Cc1ccc(C2=CC(NC(C)(C)Cc3ccccc3)=NCCN2)cc1 101069721 JDVROHYUNYELGG-UHFFFAOYSA-N 333.479 3.949 0 1 EHAF CC[C@@H]1OCCC[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586910997 JNWWGMMYAOFAGY-RQJHMYQMSA-N 334.729 3.649 0 1 EHAF CCCc1sc(=N)[nH]c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587012567 CFUUPZQPSWWRJS-UHFFFAOYSA-N 342.346 3.950 0 1 EHAF COc1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 587040661 QCGJODNGBDBLEM-ZDUSSCGKSA-N 335.429 3.554 0 1 EHAF N=c1[nH]c2nc(/C=C\c3cccc(Cl)c3Cl)nc-2c(Cl)[nH]1 587054289 NZPXCRAMRWBXRL-PLNGDYQASA-N 340.601 3.848 0 1 EHAF FC(F)C(F)(F)c1nc2ccc(I)cc2[nH]1 587089480 SAOWGZVMOFLCBX-UHFFFAOYSA-N 344.049 3.524 0 1 EHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cccc(C(F)(F)F)c2[nH]1 587093416 DREITIFBIHTGQL-ZCFIWIBFSA-N 339.239 3.711 0 1 EHAF COc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2n1 587230780 ZIJXJGFZAMNBNE-UHFFFAOYSA-N 331.379 3.641 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nc(Cl)ccc31)O2 587379891 MCLJSWNZQQRIPT-SFHVURJKSA-N 328.799 3.823 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cncnc3)c1)O2 587393883 BERKSMPBHCQXFV-IBGZPJMESA-N 331.375 3.741 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1nc4ccccc4s1)[C@@H](C2)C3=O 587449541 BGNRXAUELCYNLE-HXPMCKFVSA-N 337.400 3.968 0 1 EHAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]2C[C@H]4[C@@H]3[C@H]21 587487634 HCBZJVGSYXVATD-MNNALMCFSA-N 336.431 3.827 0 1 EHAF CC(C)(C)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nn1 587517150 HWEAGVHDPUFVAZ-KRWDZBQOSA-N 325.412 3.618 0 1 EHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cnccn1 587623536 IVDAKCNQPPMLCI-UHFFFAOYSA-N 328.173 3.572 0 1 EHAF Brc1ccnc2[nH]c(COC/C=C\c3ccccc3)nc12 587781326 SYXQUHVIQDCTSM-DAXSKMNVSA-N 344.212 3.950 0 1 EHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 587784263 GOAWOZCUJGWAMZ-VXGBXAGGSA-N 327.771 3.555 0 1 EHAF Oc1nc2cc3nc(COC45CC6CC(CC(C6)C4)C5)[nH]c3cc2[nH]1 587950015 ITCUDXUTZVCCIG-UHFFFAOYSA-N 338.411 3.630 0 1 EHAF N=c1[nH]c2nc([C@H](Cc3ccccc3)c3ccccc3)nc-2c(Cl)[nH]1 587956298 RDKQOCXGVIDMKM-CQSZACIVSA-N 349.825 3.745 0 1 EHAF CCN(CC)CCC[C@@]1(C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962628338 HFBUGAXVWKPEPA-KKSFZXQISA-N 348.531 3.917 0 1 EHAF CC=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 1857554714 MBIOJNQCQZHPTQ-XSRQCEPYSA-N 338.451 3.563 0 1 EHAF N=c1ncc2cc(NC(=O)c3cc(Cl)cc(Cl)c3)ccc2[nH]1 1857577016 UEFMODFFAGEGQI-UHFFFAOYSA-N 333.178 3.601 0 1 EHAF Cc1cc(OCC(N)=O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857602704 KOLNVKPOFFLNMN-UHFFFAOYSA-N 327.424 3.587 0 1 EHAF CC(=O)[C@@H]1C[C@@H](O)[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356616156 QQVGVJQPAJHUGT-XZFZAJOPSA-N 334.500 3.566 0 1 EHAF COCCN1C(=O)COCc2cc(-c3cc(F)cc(Cl)c3)ccc21 74375220 NQTNPGVESZXVTL-UHFFFAOYSA-N 349.789 3.656 0 3 EHAF Cc1cc(O)cc(=O)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 198613999 OUOJHQAWLYAVTK-UHFFFAOYSA-N 337.219 3.889 0 3 EHAF O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccccc1 3976394 BDLKVZCRRROJRY-FQEVSTJZSA-N 336.435 3.924 0 1 EHAF CN(C(=O)Cc1ccccc1Cl)[C@@H]1CCCC[C@@H]1N1CCCC1 6018049 NEEMFRCNPHEXRX-MSOLQXFVSA-N 334.891 3.748 0 1 EHAF CCCN(CC1CC1)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 6138357 VQVOVMZBVKLEDF-UHFFFAOYSA-N 348.450 3.948 0 1 EHAF O=C(O[C@H]1CN2CCC1CC2)C1(c2ccccc2)CCCCCC1 103278245 VOWQGVADNCNFKU-IBGZPJMESA-N 327.468 3.916 0 1 EHAF FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCC4)nn23)c1 38607894 UWDUJEWLRORFJP-UHFFFAOYSA-N 333.317 3.775 0 1 EHAF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1ncccn1 33504903 IJXJFWVUARTVFE-GFCCVEGCSA-N 326.208 3.562 0 1 EHAF C[C@@H](Nc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12)C(C)(C)C 72123245 IIQLKSGKWYUBGL-SECBINFHSA-N 328.391 3.801 0 1 EHAF COc1ccc(Cn2c([C@@H]3CCCN(C)C3)nc3ccccc32)cc1 49110425 ZXUHVJGJAIGPRR-QGZVFWFLSA-N 335.451 3.902 0 1 EHAF COc1ccccc1CNc1cc(Oc2ccccc2OC)ncn1 82068265 QYXJQBLFBIGMTF-UHFFFAOYSA-N 337.379 3.898 0 1 EHAF C=C/C(C)=C/C=C/[C@@]1(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H](O)C(C)(C)O1 238777040 IJRHIVJLUNPRSS-VSUFCKFSSA-N 334.456 3.871 0 1 EHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccco3)cc2)C[C@H]2CC[C@H]1N2C 253638285 JHSDPTHVDPIYLW-YWTNHNAXSA-N 325.408 3.686 0 1 EHAF CO/C=C/[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@H]3CC[C@H](O)[C@@]3(C)CC[C@H]12 253639714 OTRGSZVOULSZGL-KCGVMWDGSA-N 332.484 3.811 0 1 EHAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587962440 JJDYKSRDRZETHJ-NWDGAFQWSA-N 334.423 3.552 0 1 EHAF COc1ccc2c(c1)[C@]1(CCCO2)CC(=O)c2cc(C)cc(N)c2O1 587413585 SAENBHUEOKNPGX-FQEVSTJZSA-N 339.391 3.619 0 1 EHAF C[C@@H]1Cc2nc3cccc4c3c(c2C[C@H]1C(=O)O)-c1ccccc1C4=O 587206944 OBEIENUZSNXHNC-IAQYHMDHSA-N 343.382 3.882 0 1 EHAF O=S(=O)(/C=C/c1nc2ccc3c(c2[nH]1)CCCC3)c1ccccc1 586924223 LUUROGMMULPLTG-OUKQBFOZSA-N 338.432 3.886 0 1 EHAF CCc1ccccc1NC(=O)c1nc2c(Br)cncc2[nH]1 587241606 YTDPPTRNMKLZGX-UHFFFAOYSA-N 345.200 3.535 0 1 EHAF CCOCCOCc1nc2cc(Cl)cc(Br)c2[nH]1 587779292 YITSKCIRJZPLIB-UHFFFAOYSA-N 333.613 3.532 0 1 EHAF Fc1ccccc1CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587149279 KGCVEVUXCCPUBE-UHFFFAOYSA-N 344.699 3.901 0 1 EHAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cccc(O)c2[nH]1 587167104 IDVBDRYMGYXABH-AWEZNQCLSA-N 340.358 3.777 0 1 EHAF Oc1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587168573 JVFYNCLFOBFFGQ-UHFFFAOYSA-N 335.342 3.533 0 1 EHAF COc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Cl 586924025 FEPXOVVFGMESQM-BQYQJAHWSA-N 348.811 3.670 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)nc1)CC2=O 587484995 HSYYGWDPCWAYAP-LJQANCHMSA-N 327.380 3.629 0 1 EHAF O=C(Nc1ccccc1)c1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1 587245341 WCAOBYHZIUXWOX-UHFFFAOYSA-N 349.781 3.926 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(=O)OC)c1)CC2=O 587477041 DKLYPBKHWWHCSD-SFHVURJKSA-N 340.375 3.838 0 1 EHAF COc1ccc2c(c1)[C@H](CC(=O)O)c1c-2nc2cccc3c2c1CC3 587212800 CTUGPEXVIUHCSU-INIZCTEOSA-N 331.371 3.929 0 1 EHAF Cc1nc2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc2cc1Br 587173507 CLTJSFWVDBVSGM-ZDUSSCGKSA-N 348.175 3.844 0 1 EHAF CC1(C)CN=C2c3ccccc3[C@@](O)(c3ccc(Cl)cc3)N2C1 13760574 ASZXQHNFBSDBMN-IBGZPJMESA-N 326.827 3.635 0 1 EHAF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1[C@]3(C)CCC[C@]21OC3 15198831 BOZXUXQCVSWDBD-NXXCRTJYSA-N 346.423 3.848 0 1 EHAF CCOC(=O)c1c(OC)c(-c2ccc(C(C)(C)C)cc2)c[nH]c1=O 169322534 REZUKOWLIKFFMC-UHFFFAOYSA-N 329.396 3.525 0 1 EHAF O=C(NCCCl)Nc1ncccc1OCc1ccccc1Cl 207018374 BDOHYIMVOXYYPT-UHFFFAOYSA-N 340.210 3.674 0 1 EHAF O=S(=O)(c1ccccc1)C1CCN(CCCc2ccccc2)CC1 13472074 PZLOABUPAFZHAF-UHFFFAOYSA-N 343.492 3.558 0 1 EHAF in-vivo COc1ccc2sc3c(c2c1)N[C@H](Cc1ccccc1)CNC3=O 3647039 GMMKBMFISPUHMR-CYBMUJFWSA-N 338.432 3.677 0 1 EHAF O=C(O)c1cc(-c2ccc(O)cc2)nc2n[nH]c(-c3ccccc3)c12 6748990 DLTXINUMUDVAHN-UHFFFAOYSA-N 331.331 3.696 0 1 EHAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)C4CCC4)C[C@@H]2N3)cc1 100086491 UFARXCJWPNOPQW-ZBYYUNFXSA-N 346.474 3.728 0 1 EHAF O=C1/C(=C\N2CCOCC2)c2ccccc2N1c1cccc(Cl)c1 27518327 OALXBYKHGNKGOC-LGMDPLHJSA-N 340.810 3.691 0 1 EHAF CN(C)C[C@H](c1ccccc1Br)C1(O)CCCCC1 26730551 RXLTXBKNARFTEK-CQSZACIVSA-N 326.278 3.790 0 1 EHAF Cc1ccc(-c2c3c(c(O)c4cc5c(cc24)OCO5)COC3=O)cc1 103172176 AAUJPOQBZNLLDP-UHFFFAOYSA-N 334.327 3.920 0 1 EHAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(O)[C@@H](O)CCC(C)=CCC1 2356422403 BOERTAMGLQYYOW-BJLQDIEVSA-N 334.456 3.587 0 1 EHAF CC[C@@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356608621 RFTIRMPAYWBDKJ-QKQPPGAZSA-N 334.500 3.566 0 1 EHAF COC(=O)[C@H](C)[C@H](O)CC[C@](C)(O)CCC1=C(C)CCCC1(C)C 2356795933 MQJKJXDCFQMCGC-WRWLIDTKSA-N 340.504 3.994 0 1 EHAF O=C(O)c1cc(-c2ccc(F)cc2F)cc(Br)c1O 38820817 HKHBYVPMCRRTKO-UHFFFAOYSA-N 329.096 3.798 0 1 EHAF Cc1cc(C(=O)N[C@@H](CC(=O)O)c2ccc(C(C)C)cc2)c(C)o1 236756143 QHAACUUOYSPEHD-KRWDZBQOSA-N 329.396 3.966 0 1 EHAF CCCC[C@@H](CC)C[C@@](O)(/C=C(/CC)[C@@H](O)CC(=O)OC)CC 95590643 PVKQNBZAJBAVBB-JUSDOANZSA-N 328.493 3.994 0 1 EHAF Cc1csc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)n1 95602901 RGRWZXHDRHFXDI-UHFFFAOYSA-N 330.388 3.552 0 1 EHAF COc1ccc([C@H](C(=O)NC2CCCCC2)N2CCC[C@H](C)C2)cc1 621442481 GZQIPGKTCFEGAO-OXJNMPFZSA-N 344.499 3.917 0 1 EHAF Cc1cc(Cl)cc2c(-n3cc(C(=O)O)nn3)c(C(C)(C)C)[nH]c12 587627448 WTDKHRHLTTZJEG-UHFFFAOYSA-N 332.791 3.706 0 1 EHAF CC(C)C(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810916 DRZNPSXAVHRBEY-QFYYESIMSA-N 342.252 3.953 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C)[C@@H](OC)C12CCC2 587487729 GZQWHFRJDTYXJL-ZQBYOIRZSA-N 330.424 3.884 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ncccc32)N1 587778627 NMTNYOFMGINWAH-DYZYQPBXSA-N 347.231 3.707 0 1 EHAF NC1=COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587508821 FMQGBDKKEKTCNL-OAQYLSRUSA-N 333.387 3.619 0 1 EHAF COc1ccc(CCCc2nc3ccnc(Cl)c3[nH]2)cc1OC 587926234 LCZLJISYXOTCES-UHFFFAOYSA-N 331.803 3.804 0 1 EHAF COc1cccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587385091 LRFXRUQDEACFIX-ZDUSSCGKSA-N 329.371 3.692 0 1 EHAF Cc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1Br 587136768 VMKZWIOZTKSFQU-UHFFFAOYSA-N 335.180 3.604 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCN(C)C)N1 587743393 WNAUAROZRTZQSB-MEDUHNTESA-N 343.284 3.679 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(C)cc(=O)oc3c1)O2 587409790 UEPJMXPEXARPJO-QGZVFWFLSA-N 335.359 3.699 0 1 EHAF Cc1cc(-c2nc3ncc[nH]c-3n2)ccc1-c1ccc(C(=O)O)c(F)c1 587145036 RLOATBRCSRTJKS-UHFFFAOYSA-N 348.337 3.784 0 1 EHAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(F)cc2[nH]1 587064625 DLPKCJWQBLMPEJ-UHFFFAOYSA-N 334.734 3.756 0 1 EHAF CCOC(=O)c1c(-c2ccc(F)cc2F)[nH]c2c(C(=O)O)cccc12 587638018 SMCJQAZBRIRDGP-UHFFFAOYSA-N 345.301 3.988 0 1 EHAF COc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)NC(=O)CC4)CC2 587946022 IJFPFSSHVDDFHK-CQSZACIVSA-N 347.418 3.729 0 1 EHAF O=C1c2ccoc2CC[C@@H]1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 586906285 ATNVEZQOOXIIBC-SSDOTTSWSA-N 336.178 3.846 0 1 EHAF O=C(COc1ccc(F)cc1F)n1nc2cc1Oc1ccc(F)cc1-2 587873865 KSKVRXQLGNAEJF-UHFFFAOYSA-N 346.264 3.792 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CCNc2c(C)cccc21 963614608 XNXXWKUHTCZCJL-SPLOXXLWSA-N 338.451 3.606 0 1 EHAF N=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc2c(c1)OCO2 1772588202 WUANZPKGJMEFFA-UHFFFAOYSA-N 341.370 3.901 0 1 EHAF CN(C(=O)c1ccc2nc(C3CCCCC3)oc2c1)[C@H]1CCOC1 12026830 BLYIZVNVHGWIPJ-HNNXBMFYSA-N 328.412 3.736 0 1 EHAF COc1ccc(-c2cn3cc(-c4ccco4)cc(N)c3n2)cc1OC 1857752012 QQRVZCCBIDXFGH-UHFFFAOYSA-N 335.363 3.861 0 1 EHAF O=C(C[C@H]1C(=O)Nc2ccccc2-c2cccn21)OCc1ccccc1 3787090 LONANILIWKPVLT-IBGZPJMESA-N 346.386 3.782 0 1 EHAF Cc1ccccc1Cn1c(=O)n(C2CCCC2)c(=O)c2ccccc21 4906672 IQJVKKAIBULWAQ-UHFFFAOYSA-N 334.419 3.635 0 1 EHAF N[C@@H](CCCCC[P@](=O)(c1ccccc1)[C@H]1C=CC=CC1)C(=O)O 6004781 MPRXIYJLNGKBGR-XFAGBWLFSA-N 347.395 3.532 0 1 EHAF Cc1cccc(NC(=O)c2nn(C)c3c2CSc2ccccc2-3)n1 6781342 SWBNHKQSXUBOFG-UHFFFAOYSA-N 336.420 3.649 0 1 EHAF CCNC(=S)N[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 13608315 VIYIBWQRABFNBX-LLVKDONJSA-N 343.290 3.535 0 1 EHAF CCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)O)c1CC 13672348 TWAOUXRQKWVNOD-UHFFFAOYSA-N 327.380 3.748 0 1 EHAF CCC[C@H]1C[C@@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@H]1N2C 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169314084 XVOOTZXSASFQRD-UPDDMSSCSA-N 333.431 3.879 0 1 EHAF COC(=O)c1cc2nc([C@@H](C)SCc3ccccc3)[nH]c2cn1 586961548 KAUAWWONLIXJRZ-LLVKDONJSA-N 327.409 3.739 0 1 EHAF COc1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586996611 WSKXQVYJMATONC-UHFFFAOYSA-N 346.228 3.989 0 1 EHAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587088399 MPGWRDISKQIMOY-SSDOTTSWSA-N 332.276 3.726 0 1 EHAF O=C(O)c1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1F 587092079 LPCGEQRCKYOQIH-UHFFFAOYSA-N 343.236 3.550 0 1 EHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(F)c(F)c(F)c2[nH]1 587176040 ZTPKDNKDWPVKDD-NSHDSACASA-N 348.303 3.843 0 1 EHAF O=C(O)C[C@@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206490 LCUDHQWBLJMIGQ-NSHDSACASA-N 329.355 3.636 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(C4CCCC4)c1)[C@@H](C2)C3=O 587433248 WTYAKDFLWXENSX-JXFKEZNVSA-N 338.407 3.670 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)nn1CCC)CC2=O 587474408 DJYDEPYXIQDHEW-GOSISDBHSA-N 328.412 3.966 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CCO[C@H]2C12CCC2 587491843 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40953771 IKFVGGXSMFNQKW-LJQANCHMSA-N 343.492 3.827 0 1 EHAF COc1ccccc1[C@@H](Cc1coc2nc(N)nc(N)c12)CC(C)C 45386106 FZTBMWCWXXNRIA-GFCCVEGCSA-N 340.427 3.768 0 1 EHAF Cc1cc(=O)oc2cc(-n3cc(CSc4ccccc4)nn3)ccc12 473128164 YVLSMICQQJATAG-UHFFFAOYSA-N 349.415 3.974 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1C)[C@@H](C2)C3=O 587430390 DZJRLPCTECZVEU-KKSFZXQISA-N 346.386 3.678 0 1 EHAF CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2cc(F)ccc12 587635186 IAZHQPKUDSUBIR-UHFFFAOYSA-N 334.391 3.886 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3ccc(Cl)cc31)O2 587378628 CYZJUHDJWNTCIV-GOSISDBHSA-N 329.783 3.874 0 1 EHAF C[C@@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2c(C(=O)O)cccc12 587637697 NXVXOEBVJOXRBM-SECBINFHSA-N 327.311 3.860 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnccc1OCC)CC2=O 587488896 LASJUQIEUCCAMS-GOSISDBHSA-N 327.380 3.845 0 1 EHAF C[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587819932 XGSFLYXRSBEMEG-XIZWVBILSA-N 340.236 3.707 0 1 EHAF C[C@]1(C[C@@H]2CCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616687 LYRLDPDGSDRFHO-WSXQUGQNSA-N 340.375 3.539 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(C)ccc1-n1cccn1)[C@@H](C2)C3=O 587432522 PZPIDNMCJAWIPS-KKSFZXQISA-N 346.386 3.678 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)cc2)N1 587748033 TVZZDUNRMCCRLV-DYZYQPBXSA-N 349.247 3.968 0 1 EHAF COC(=O)c1cnc(Cl)cc1-n1nc2cc1Oc1ccc(F)cc1-2 587874360 WZXBEWCYHNMTJC-UHFFFAOYSA-N 345.717 3.619 0 1 EHAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(F)c3[nH]2)C(F)(F)C1 587133082 WIQJXOVMKXGTAK-VIFPVBQESA-N 341.333 3.672 0 1 EHAF CCn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2N2CCOCC2)cn1 587632404 WNHNYOJNEPHWEO-UHFFFAOYSA-N 348.809 3.680 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cn3cccn3)cc1)O2 587391047 KBKVJXHSOHLUBX-LJQANCHMSA-N 333.391 3.529 0 1 EHAF Cc1cncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587776607 YHEYCRZNGGWSPY-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF Cc1ccc(CCc2nc3c(C)c(Br)cnc3[nH]2)cc1N 587250609 NHLAVYYEQDZDGV-UHFFFAOYSA-N 345.244 3.705 0 1 EHAF C[C@@H](F)[C@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587123466 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EHAF CCCCN(C)C(=O)Oc1ccc2c(CCC(=O)OC)c[nH]c2c1 95572286 DSUFSWPVLJRAEF-UHFFFAOYSA-N 332.400 3.504 0 1 EHAF COc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(C)CC1)=N2 101746059 MGCAHPFQASTHNP-UHFFFAOYSA-N 347.462 3.612 0 1 EHAF N=C(NCc1cc(F)cc(F)c1)c1ccc(OC(F)(F)F)cc1 103259100 UONIBGAVBOMNHM-UHFFFAOYSA-N 330.256 3.979 0 1 EHAF c1ccc2c(OC[C@H]3CCCN3c3ccnc4nccn34)cccc2c1 115881415 KZDTUSZNJHGAIW-QGZVFWFLSA-N 344.418 3.930 0 1 EHAF NC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12 146640000 TTWGUKNYEAMFGX-UHFFFAOYSA-N 329.359 3.917 0 1 EHAF Cn1c(CN2CCN(C(=O)Nc3ccccc3)CC2)cc2ccccc21 200260416 KBZHSKUFDHMMAN-UHFFFAOYSA-N 348.450 3.528 0 1 EHAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)OC)nc2[nH]1 587062268 PXCBCZYNEDZHNH-CYBMUJFWSA-N 345.786 3.928 0 1 EHAF COC(=O)c1cccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587080799 PUEZKJVNLNZOSE-CQSZACIVSA-N 328.755 3.679 0 1 EHAF FC(F)Oc1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 587130064 DMPUNCSPGGYSQY-UHFFFAOYSA-N 340.127 3.989 0 1 EHAF COc1ncc(F)cc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1 587176067 LJILNXBRZPBHBR-UHFFFAOYSA-N 327.237 3.671 0 1 EHAF Cc1ccc(NC2(c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)CCCC2)cc1 587237808 YDOOGRXYGFDHBP-UHFFFAOYSA-N 342.834 3.560 0 1 EHAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587399518 KLQRMOSKDTZYCF-QGZVFWFLSA-N 327.380 3.691 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCc4ccc(Cl)cc41)[C@@H](C2)C3=O 587422045 OZFHYBDINRUQBR-KXBFYZLASA-N 326.779 3.938 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc4cccc(C)c4nc1O)[C@@H](C2)C3=O 587437319 XSXMWWFSKMTFPD-VBKZILBWSA-N 347.370 3.746 0 1 EHAF CC[C@@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587456893 YHGHGYITAANLSK-RCDCFZSISA-N 330.424 3.797 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccn(CC(F)F)n1)CC2=O 587466855 PHQIICZHFSXBTL-HNNXBMFYSA-N 336.338 3.513 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2NCCc3cccc1c32 587481833 ICRAOFHKAZDNPL-VGOFRKELSA-N 349.430 3.796 0 1 EHAF O=C(O)CC[C@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587532707 NBELSXFXNBUBNC-HXUWFJFHSA-N 340.375 3.884 0 1 EHAF CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccccn1 587632525 YLMRGLFLYUXOHD-UHFFFAOYSA-N 346.745 3.763 0 1 EHAF COc1cc2ncnc(Nc3c(F)ccc(O)c3C)c2cc1OC 653720437 BVMMMLLTDUAVFA-UHFFFAOYSA-N 329.331 3.544 0 1 EHAF CC1(C)CCC[C@H](O)[C@]2(C)[C@@H](C[C@@]34C[C@@H](CC[C@@H]23)[C@](C)(O)C4)C1=O 1857570050 ZQLRVDWTYRZNCL-IENALNPRSA-N 334.500 3.710 0 1 EHAF Cc1c2ccc(N=c3[nH][nH]c4cccnc34)cc2nn1CC1CCC1 1857651596 HBYLUFSQSXBURY-UHFFFAOYSA-N 332.411 3.582 0 1 EHAF COc1c(OCC=C(C)C[C@@H](O)C=C(C)C)ccc2ccc(=O)oc12 2356440532 GFBKICMDIVRKJO-INIZCTEOSA-N 344.407 3.844 0 1 EHAF CO[C@@H](CCCCCCCC(=O)O)[C@@H](O)CCCCCCCCO 2356572246 UWTPUSJSDRVPPI-ROUUACIJSA-N 346.508 3.901 0 1 EHAF CCCCCC=CC[C@H](O)C=C[C@H](O)[C@@H]1C[C@H]1[C@H]1CCCC(=O)O1 2356607589 MYTQAYDWGRSARV-BRIYLRKRSA-N 336.472 3.523 0 1 EHAF CC(=CC(=O)N[C@@H]1CCCCNC1=O)CC[C@]1(C)C(C)=CCC[C@@H]1C 2356676834 ZVDZALYKOIJILQ-WAOWUJCRSA-N 346.515 3.880 0 1 EHAF Cc1ccc(-n2cnc3cc(C(=O)NC[C@H]4CCCO4)ccc32)c(C)c1 216268 UGCOLLSRZKOBER-QGZVFWFLSA-N 349.434 3.551 0 1 EHAF COc1c2c(cc(O)c1C(C)C)[C@@]1(C)CCC3=C(COC3=O)[C@H]1CC2 14823676 TYSYVCOVDLVELY-VFNWGFHPSA-N 342.435 3.992 0 1 EHAF biogenic COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 26718577 GZSBGDLKFWEKEP-WCIYBSDLSA-N 339.479 3.925 0 1 EHAF Clc1cccc(NCCCN2CCC(Cc3c[nH]cn3)CC2)c1 28563519 HGOPHNQJFNTAEL-UHFFFAOYSA-N 332.879 3.820 0 1 EHAF CC(=O)Nc1ccc(N2CCN(c3ccccc3Cl)CC2)cc1 40892966 BODQLBSSDGOFSW-UHFFFAOYSA-N 329.831 3.625 0 1 EHAF O=c1n(CCCN2CCCCCC2)ccn1-c1cccc(Cl)c1 49109492 RHSCKLKHJPKZNP-UHFFFAOYSA-N 333.863 3.559 0 1 EHAF N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)s3)s2)cc1 66166513 HGWVHLHYNXWUEA-UHFFFAOYSA-N 326.450 3.712 0 1 EHAF CNC(=O)c1cc(Cl)cc(N2CCCc3cc(OC)ccc32)c1 96910966 VQIAEEFDUGUMGV-UHFFFAOYSA-N 330.815 3.793 0 1 EHAF CCN(CC)C(=O)[C@@H]1CCCc2c1c1c(OC)cccc1n2CC[18F] 101468221 ZVDVQPLDTTXLKI-VWBUEPEUSA-N 345.449 3.908 0 1 EHAF COc1cc(CCc2cc(=O)c3ccccc3o2)cc(OC)c1OC 103176355 JFAQSEVMJJOWNI-UHFFFAOYSA-N 340.375 3.604 0 1 EHAF CC(=O)C(=O)N(c1ccccc1C(=O)O)c1cccc2c1CCCC2 103209828 AFQKLILHVZRHJI-UHFFFAOYSA-N 337.375 3.517 0 1 EHAF CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)Nc1ccccc1C 103901343 BBFGJSLQMRJYCS-HNNXBMFYSA-N 326.425 3.727 0 1 EHAF C[C@@H]1CN([C@@H](c2ccncc2)c2ccc3cccnc3c2O)C[C@@H](C)O1 115634918 LBVKQIMUMIMLGQ-SXGZJXTBSA-N 349.434 3.534 0 1 EHAF CCCCC[C@@H]1/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O1 169364912 ZMUOKHRYAWJZAG-HBYHEDERSA-N 338.488 3.747 0 1 EHAF COC(=O)[C@@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@H]2C)[C@H]2C=CC[C@H]21 195361090 KKBJCVBSAUGNEH-SUSXQZFDSA-N 328.383 3.912 0 1 EHAF COC(=O)c1cc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1OC 586883065 GCJOZQJKKBEVKM-VXHCHZMVSA-N 340.423 3.826 0 1 EHAF O=C1CCC[C@@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 586884325 MUCGPUDVELROQC-ZCFIWIBFSA-N 332.713 3.594 0 1 EHAF Cc1cc2nc(-c3cncc(I)c3)[nH]c2cc1C 587184094 DKFGVFYVOSMXIJ-UHFFFAOYSA-N 349.175 3.846 0 1 EHAF CC[C@@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354241 PZGTXYJXJLCVED-MJGOQNOKSA-N 344.338 3.514 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1ccc(F)cc1)O2 587384529 LRSUJXCJITWXLK-ZTBDEIDFSA-N 340.398 3.652 0 1 EHAF COc1cc2c3c(c1)OC1(CC(OCc4ccccc4)C1)[C@@H](C2)C3=O 587441299 GDNMKMLAUBRKSH-BATSVXPKSA-N 336.387 3.561 0 1 EHAF CCC(=O)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811460 GIVHUWFOMQEGRM-BJOHPYRUSA-N 328.225 3.707 0 1 EHAF C[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN2C1=O 653692039 NYYBLRBTEDPENR-ZBEGNZNMSA-N 326.783 3.799 0 1 EHAF CC(C)c1nn(C)c2c1[C@H](c1cnc3ccccc3c1Cl)NCC2 962923932 ZJNALKHPEYUBIA-IBGZPJMESA-N 340.858 3.980 0 1 EHAF CCn1c(O)nc2ccc(OCCOc3ccc(Cl)cc3)cc21 1857564125 PHUKLGPQAJVDEF-UHFFFAOYSA-N 332.787 3.873 0 1 EHAF COc1ccc2c(c1)C[C@H](C(=O)c1ccc(OC)cc1OC)CC2 1857597390 SQPUVTXQZDEJNT-CQSZACIVSA-N 326.392 3.700 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C[C@]2(C)CC[C@H](C(C)C)[C@]2(O)CC[C@]1(C)O 2356631899 SARMJLPHTLNPQI-OMZCVMJRSA-N 338.488 3.603 0 1 EHAF COC(=O)[C@H](C)[C@@H](O)CC[C@](C)(O)CCC1=C(C)CCCC1(C)C 2356795931 MQJKJXDCFQMCGC-OXFYSEKESA-N 340.504 3.994 0 1 EHAF CCC(=CCN1Cc2cc(Cl)cc3[nH]c(=O)n(c23)C[C@@H]1C)CC 5964748 WHTSSIODQOYDDM-LBPRGKRZSA-N 333.863 3.934 0 1 EHAF OCC[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 13491900 GUMKVHJWYPTYLU-FQEVSTJZSA-N 337.463 3.502 0 1 EHAF COc1cc(C(=O)[C@@H](C)[C@H](C)Cc2ccc3c(c2)OCO3)ccc1O 14646609 UFCKYLUYWNYRRX-OLZOCXBDSA-N 342.391 3.827 0 1 EHAF biogenic CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ccccn2)/C1=C(\O)OC1CCCC1 27561372 JJFCVEWUSIVTBM-YWJBVVMDSA-N 343.383 3.877 0 1 EHAF Cc1cc(C)n2ncc(C(=O)NC3CCC(C(C)(C)C)CC3)c2n1 66148688 MCQYBGOYJAACFA-UHFFFAOYSA-N 328.460 3.681 0 1 EHAF Fc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 66259902 QWQXDPOPCOPVHV-UHFFFAOYSA-N 346.475 3.799 0 1 EHAF O=C(COc1ccccc1Br)c1ccc(Cl)nc1 73168374 GJPGWMDXGZVAKW-UHFFFAOYSA-N 326.577 3.759 0 1 EHAF Cc1cccc(NC(=O)c2nn(C)c(-c3ccc(F)cc3F)c2C)n1 95604750 NUFYVALTQZQIIW-UHFFFAOYSA-N 342.349 3.629 0 1 EHAF O=C(c1ccc(O)c(F)c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 96169291 HCUZXAALNJSULB-WMZOPIPTSA-N 325.383 3.866 0 1 EHAF C[C@H](O)c1cccc(-c2ccc(C(F)(F)P(=O)(O)O)cc2)c1 96284995 KJBSNNYRQHXYKS-JTQLQIEISA-N 328.251 3.634 0 1 EHAF N[C@H]1CCC[C@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)C1 144965882 VNIWTXNUFSBXML-GJZGRUSLSA-N 341.846 3.732 0 1 EHAF CC/C=C/C/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O 256085852 BISQPGCQOHLHQK-JCGPPHLYSA-N 334.456 3.934 0 1 EHAF in-vitro C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CCC3)c2cn1)c1ccccn1 261145857 NVXDXNBDPLCSNF-LLVKDONJSA-N 336.399 3.503 0 1 EHAF CO[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586993276 XFRDBLBLLMYTBT-NSHDSACASA-N 331.371 3.656 0 1 EHAF Nc1ccc2oc(-c3nc4c(Br)ccnc4[nH]3)cc2c1 587251275 AUFUMUFZHUZTHU-UHFFFAOYSA-N 329.157 3.716 0 1 EHAF Nc1ccc(C(=O)CCc2nc3ccc(Br)cc3[nH]2)cc1 587251439 HEGAUPRLIKBSPE-UHFFFAOYSA-N 344.212 3.723 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ncccn4)c1)[C@@H](C2)C3=O 587435550 GYUUUYYEUWEDDN-JXFKEZNVSA-N 344.370 3.641 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(N)cccc31)CC2=O 587472781 MWDHLZCZCYKIML-HXUWFJFHSA-N 339.391 3.570 0 1 EHAF Cc1nc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)co1 587588099 RVRASJPYPQRZTI-LPHOPBHVSA-N 337.331 3.566 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncs2)N1 587851794 CNESFVQSWYPMGQ-UHLUBPPHSA-N 327.222 3.668 0 1 EHAF CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1cc(C(C)C)c(OC)cc1C 621474196 ZGCOINPYQWGJJO-SCDSTIRESA-N 348.468 3.933 0 1 EHAF CC1(C)[C@@H](C(=O)NCC2CCC(C(=O)O)CC2)[C@H]1c1ccc(F)cc1 1857771657 GBWVWDFLDLELOX-TVGUXLQWSA-N 347.430 3.573 0 1 EHAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occc13)C=C[C@@H](O)[C@H]2C 2356453364 VTTQQQRAJGAPLK-MLGOLLRUSA-N 342.391 3.942 0 1 EHAF CC[C@H]1C[C@H]2CN3CC[C@H]4C(=Nc5ccccc54)[C@@](C(=O)OC)(C2)[C@@H]13 2356512785 DVIHZCAJLDCNRW-PZJBFHDESA-N 338.451 3.540 0 1 EHAF CC(C)CNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12 61930449 FACVAGSZJPFYSK-UHFFFAOYSA-N 336.391 3.585 0 3 EHAF CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(F)cc2)O1 95567438 AVPULNFWAOMEGJ-IUODEOHRSA-N 334.416 3.792 0 3 EHAF Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(N)ccc12 5891701 KFQJSZXORIGHET-UHFFFAOYSA-N 336.439 3.996 0 1 EHAF O=c1[nH]c2ccccc2n1CCCN1CCC(Cc2ccccc2)CC1 13808345 NUKOLZHZJDOBHR-UHFFFAOYSA-N 349.478 3.674 0 1 EHAF Cc1ccccc1C(=O)NCCN1CCC(Cc2ccccc2)CC1 26747160 ZBRBLQSAXCDRTG-UHFFFAOYSA-N 336.479 3.680 0 1 EHAF COc1cc2c3c(c1)-c1c(ccc4sc(N)nc14)C[C@H]3N(C)CC2 40379194 VBFGIJNFSAXOIV-CQSZACIVSA-N 337.448 3.639 0 1 EHAF Cc1ccccc1C(=O)c1nc(C(=O)O)cc2c1[nH]c1ccccc12 66078378 VVAOHRBFHTVTIF-UHFFFAOYSA-N 330.343 3.954 0 1 EHAF Cn1cc(C(=O)C(=O)Nc2ccc(-n3cccc3)cc2)c2ccccc21 73140222 VBFSJFQXRQSTGN-UHFFFAOYSA-N 343.386 3.790 0 1 EHAF CN(C)CCCOc1nc2cc(-c3ccccc3)nn2c2ccccc12 96933156 UBEQJPHQFBNVLE-UHFFFAOYSA-N 346.434 3.880 0 1 EHAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccncc1 100704892 LUWKSORQLIJYEN-LBPRGKRZSA-N 340.408 3.513 0 1 EHAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)OCCc1cc(F)ccc1F 117722211 ZUHSZYHIYSSYLY-OAHLLOKOSA-N 346.377 3.833 0 1 EHAF CC1=C2CC/C(C)=C\CC[C@@](C)(O)[C@@H](O)CC/C(C)=C/[C@@H]2OC1=O 169292952 KISXSEZMRISOQB-XXLPKHNPSA-N 334.456 3.587 0 1 EHAF CC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255221803 JTVJZIIJXYOXCP-LQDXZBFHSA-N 332.484 3.630 0 1 EHAF CC(C)(SCc1nc2ccc(F)c(Br)c2[nH]1)C(=O)O 586960146 SUQMULCKEDFBPW-UHFFFAOYSA-N 347.209 3.561 0 1 EHAF Cc1cc(F)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 587005739 PYKGKQGCOSEYQO-UHFFFAOYSA-N 341.571 3.883 0 1 EHAF Oc1ccc2scc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2c1 587031857 BLBLZVJTTXUHKW-UHFFFAOYSA-N 336.298 3.911 0 1 EHAF COC(=O)c1cccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587107398 SCVDBVBWWJTYQS-UHFFFAOYSA-N 334.297 3.959 0 1 EHAF COc1nccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 587133668 YQLLHNNIEVNBTA-UHFFFAOYSA-N 340.141 3.643 0 1 EHAF C[C@@]1(c2nc3c(F)cnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587153827 AHUUHJKIHOJWFM-INIZCTEOSA-N 348.740 3.681 0 1 EHAF Cc1cccc2nc(-c3cncc(I)c3)[nH]c12 587185499 VDDRFSHBAAHOOU-UHFFFAOYSA-N 335.148 3.538 0 1 EHAF Cc1cncc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 587235377 KHEJBIDGPDNOKY-CHWSQXEVSA-N 330.432 3.817 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)cc1C(=O)O)O2 587377865 KTDSBWONEMQEDY-HNNXBMFYSA-N 331.755 3.635 0 1 EHAF COc1cccc(-c2n[nH]cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587396598 MQLQOXORODEQOY-GOSISDBHSA-N 349.390 3.682 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCCF)cc1)[C@@H](C2)C3=O 587424830 VVBLBXSJRYOSRX-OXJNMPFZSA-N 342.366 3.706 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCO[C@@H](c4ccccc4)C1)[C@@H](C2)C3=O 587455427 MKAQQHHMZRBUPH-CDXJDZJCSA-N 336.387 3.733 0 1 EHAF COC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCC1 587600521 OEABARBUNNUSAH-APWZRJJASA-N 340.375 3.682 0 1 EHAF C[C@@]1(c2cncs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616379 CSZHQAPXWGQDTP-YJBOKZPZSA-N 339.372 3.726 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1c(C)noc1C 587870520 LFYYYBGHFKMMQJ-UHFFFAOYSA-N 343.358 3.576 0 1 EHAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(=N)[nH]cc3[nH]2)cc1 587937578 POYGZLMYZIQYCD-LJQANCHMSA-N 330.391 3.559 0 1 EHAF CC1(C)[C@@H](c2ccccc2)C[C@@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962901985 UZDYBXINYBZVAZ-KUDFPVQQSA-N 339.410 3.834 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3ncnc(O)c3c2)N1 962959971 VOZCZRSOJAPINH-ORAYPTAESA-N 344.418 3.830 0 1 EHAF COc1ccc2c(c1)[C@H](c1cnc(C)nc1C(F)(F)F)N[C@@H]1CC[C@H]21 962991857 FSHVDXAAVXSOKN-DAXOMENPSA-N 349.356 3.751 0 1 EHAF Oc1ccc2c(c1)[C@@](c1cccs1)(c1cccnc1Cl)NCC2 963350198 AAWZROOHMUSFDN-GOSISDBHSA-N 342.851 3.940 0 1 EHAF CCc1ccccc1CNC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 1772612558 FRPJSZRAPBBGTE-UHFFFAOYSA-N 335.407 3.578 0 1 EHAF CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2N)cc1 1772613286 PJVCRIFVZLTEAX-UHFFFAOYSA-N 339.844 3.987 0 1 EHAF COc1cccc(-c2nc3cc[nH]c(=NCCc4ccccc4)c3[nH]2)c1 1857580872 WHNGMLIXQSKXJP-UHFFFAOYSA-N 344.418 3.710 0 1 EHAF CC(C)(C)N=c1nc(-c2ccncc2C(F)(F)F)[nH]c2cnccc12 1857597063 OSKLRIJWIBDPGW-UHFFFAOYSA-N 347.344 3.738 0 1 EHAF CC1(C)C[C@@H](c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)NC1=O 1857599395 RBNTVMSBECTUTB-KRWDZBQOSA-N 347.418 3.521 0 1 EHAF FC(F)(F)c1ccc(Nc2cc3nc([C@H]4CCOC4)[nH]c3cn2)nc1 1857638914 YYCJASULUSNMOZ-VIFPVBQESA-N 349.316 3.619 0 1 EHAF C[S@@](=O)CCCCNC(=S)SCc1ccc(Cl)cc1 1857773859 PGDNFGNTOXLFAW-LJQANCHMSA-N 335.947 3.606 0 1 EHAF Cc1ccc(Cn2c(=O)sn(-c3cccc4ccccc34)c2=O)cc1 1911583330 CDDDADPSJJLTQD-UHFFFAOYSA-N 348.427 3.571 0 1 EHAF Cc1oc(-c2cccs2)cc1C(=O)N1CCC[C@](C)(C(=O)O)C1 61906181 JZMKCQBPOVJCJP-KRWDZBQOSA-N 333.409 3.643 0 3 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(Br)cc1)S2 28643830 RARSABFRLWAEFW-RFGFWPKPSA-N 341.270 3.990 0 1 EHAF COC(=O)c1c(-c2ccccc2)nc2c(c1N)c1ccccc1n2C 29565519 PKHPMOOYSRWYSI-UHFFFAOYSA-N 331.375 3.762 0 1 EHAF Cc1ccc2oc(=O)cc(N3CCN(c4ccccc4C)CC3)c2c1 49563703 WISLSRMHRCKWLA-UHFFFAOYSA-N 334.419 3.736 0 1 EHAF in-vivo CCCNC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2C)cc1 100108580 FHCHSUYKGBLCHD-AERCQKQUSA-N 349.478 3.521 0 1 EHAF N#Cc1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)c1 116989488 CLUYXNZIBWJUIK-UHFFFAOYSA-N 340.386 3.650 0 1 EHAF CCOC(=O)C1=C[C@@H](c2ccc(F)cc2)[C@H]2C(=O)CC(C)(C)CC2=N1 169723784 YSHAWDSMLPOQOW-KBXCAEBGSA-N 343.398 3.816 0 1 EHAF C[C@H]1CCO[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)C1 586917963 YXMJFBVMMKLVBY-XPUUQOCRSA-N 330.613 3.861 0 1 EHAF N[C@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1Cl 587058453 VVNLEROQUMEBAO-LLVKDONJSA-N 340.736 3.873 0 1 EHAF CCOC(=O)[C@@H]1Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587098982 WLOGNIPTABRGSY-OAHLLOKOSA-N 343.382 3.957 0 1 EHAF COc1ccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(F)c1 587149958 WZUQUMGBVZCEDE-UHFFFAOYSA-N 340.333 3.626 0 1 EHAF CCCCCn1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587431636 LGCRUNLCNUZQSW-KUHUBIRLSA-N 326.396 3.571 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](C(=O)OC)CC1)CC2=O 587484209 YXDZZSZRJBRYEN-RBZFPXEDSA-N 346.423 3.802 0 1 EHAF Cc1[nH]nc2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 587525463 NJPUBVNBRUOLEC-GOSISDBHSA-N 333.391 3.852 0 1 EHAF O=C1C[C@@](Cc2cccs2)(C(=O)O)Oc2c1ccc1c2CCCC1 587532413 QOMXLLUZJBHJND-IBGZPJMESA-N 342.416 3.658 0 1 EHAF Cc1c(-c2ccn(C)n2)[nH]c2c1c(Br)cc1n[nH]cc12 587622847 ICOVTPBHCGZBJW-UHFFFAOYSA-N 330.189 3.516 0 1 EHAF Cc1cccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587660089 BWQTVMRGWVPLES-UHFFFAOYSA-N 331.350 3.895 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C2CC2)N1 587814093 FVUNHJSNMBNGEK-XXFAHNHDSA-N 340.236 3.707 0 1 EHAF COc1ccoc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587826259 DYLBFVQSPRZQCM-CLAHSXSESA-N 340.192 3.813 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cscn2)N1 587851821 CTDDDYQOGVHHGT-RMLUDKJBSA-N 341.249 3.842 0 1 EHAF Cc1cc(OC(C)(C)C)n(-c2ccnc(Br)c2)c1O 587939057 BDSXACMEUSGUOW-UHFFFAOYSA-N 325.206 3.826 0 1 EHAF O=C1Nc2cc(F)ccc2[C@@]12NCCc1cc(-c3ccccc3)ccc12 962672077 VQUSGGFLMZRIDX-JOCHJYFZSA-N 344.389 3.834 0 1 EHAF Oc1ccc2c(c1)[C@@H](c1ccc(Br)c(F)c1F)NCC2 963329607 PKRZVJWBLPDEGM-OAHLLOKOSA-N 340.167 3.668 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ncc(Cl)cc1F 963604813 FLMJHTCYZSFQBD-XLFHBGCDSA-N 336.794 3.515 0 1 EHAF COc1cc2cc(C(=O)C[C@@H](C(=O)O)C(C)C)sc2cc1OC 1857542120 SWOLFKZPNMUGBD-LLVKDONJSA-N 336.409 3.848 0 1 EHAF CCSc1nnc(CCCO)n1-c1ccc(Cl)cc1Cl 1857588504 BPXZHGFTYKDTCG-UHFFFAOYSA-N 332.256 3.611 0 1 EHAF FC(F)(F)c1ccnc(-n2cc(-c3ccc4ccccc4n3)cn2)n1 3832023 QOOKCODRUHOSHT-UHFFFAOYSA-N 341.296 3.896 0 1 EHAF Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@H]3O 6521490 VFKOXOKVQKGOTG-GLKRBJQHSA-N 342.391 3.736 0 1 EHAF biogenic Fc1ccc(CCCN2CC[C@@H]3[C@@H](C2)c2cccc4c2N3CC4)cc1 13475709 GCWSOKYFEWNCMI-LEWJYISDSA-N 336.454 3.993 0 1 EHAF CC(C)N[C@@H](c1ccc(O)cc1)[C@H](NC(C)C)c1ccc(O)cc1 27978100 GYCBFWKTALVOTL-BGYRXZFFSA-N 328.456 3.876 0 1 EHAF COc1cccc2c(C(=O)O)c(O)c(-c3ccc(Cl)cc3)nc12 35086865 XHONGKSGKUDMPI-UHFFFAOYSA-N 329.739 3.968 0 1 EHAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)/C(=C/C(=O)O)CC[C@@H]4[C@@H]3CC[C@@H]12 169357205 RSHSEAUIGQPKLY-AWRYHWKASA-N 345.483 3.861 0 1 EHAF C[C@@H]1Oc2cc(O)c3c(=O)c(O)c(-c4ccccc4)oc3c2C1(C)C 238787174 SJQMEUQHXJRNHG-JTQLQIEISA-N 338.359 3.930 0 1 EHAF Cc1cc2c(Br)ccc(-c3nc4cnncc4[nH]3)c2o1 587004385 RVMPYTHMRJQKPS-UHFFFAOYSA-N 329.157 3.837 0 1 EHAF CCOC(=O)Cc1ccc2nc(CNc3ccccc3Cl)[nH]c2c1 587062554 VDYVCZMCEFMBDS-UHFFFAOYSA-N 343.814 3.934 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccccc3)n(C)n1)O2 587391950 PMQBFTJGSPRNNK-LJQANCHMSA-N 333.391 3.684 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3cccnc3)[nH]n1)CC2=O 587484887 OJUQXXLGJMCBAQ-LJQANCHMSA-N 349.390 3.836 0 1 EHAF CSc1nccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587534343 YXLWUPBJKIUBEE-INIZCTEOSA-N 326.421 3.784 0 1 EHAF COC[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791634 KFIKUWVJEZQQBI-ZUZCIYMTSA-N 330.241 3.620 0 1 EHAF CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 587791721 GDGPZXRLOOPPGE-GLEZIHRCSA-N 339.208 3.762 0 1 EHAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 587792484 IECRWKCXGMHQPV-WJWGPLDTSA-N 325.181 3.508 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCO2)N1 587835319 VHVTYCXOOKWBPH-DFKRKDTASA-N 328.225 3.517 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc2c(cc1C)OCO2 963061683 XNMHZXSTUBEMGV-NRFANRHFSA-N 348.402 3.516 0 1 EHAF Cc1cccc(C(=O)C[C@]2(C(F)(F)F)NCCc3c(C)ccnc32)c1 963071388 ROUGUSIADKMLFP-SFHVURJKSA-N 348.368 3.875 0 1 EHAF CCOc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCO3)cc1 1857538734 UOTVHDOBHABNBK-SNAWJCMRSA-N 325.408 3.959 0 1 EHAF NC(=O)c1cc2ccc(C3CC3)cc2n1-c1cccc(CCC(=O)O)c1 1857630226 UVPYBWVGHSOTQZ-UHFFFAOYSA-N 348.402 3.624 0 1 EHAF C[C@@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N)CC[C@@]54C)[C@@H]2CC[C@@H]13 2356487761 LFGPYDIPRZAYQB-KYOJWILYSA-N 329.484 3.818 0 1 EHAF COc1cc2c(cc1C(C)C)CC[C@@H]1C(C)(C)CC[C@@H](O)[C@]1(O)C2 2356767526 DFSWPBVFNRYKAI-SBHAEUEKSA-N 332.484 3.836 0 1 EHAF COc1cccc(N(C)C(=O)[C@@H](C)[C@@H](O)c2ccc(Cl)cc2)c1 203466940 FJGAUXAKOYICQN-YVEFUNNKSA-N 333.815 3.681 0 3 EHAF Cc1cccc2c1Oc1cc(Cl)ccc1[C@@H]2NC(=O)CN(C)C 5722584 OXVAMFOKPUJRPQ-KRWDZBQOSA-N 330.815 3.521 0 1 EHAF CC(C)C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 13682530 PRPUDOZOBPVPKQ-UHFFFAOYSA-N 329.240 3.593 0 1 EHAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@@]1(C)[C@H](C2=O)[C@@H](O)CC[C@H]1C 15058400 GSJCLFPVFIAKQC-JOMBGVAESA-N 348.439 3.828 0 1 EHAF biogenic 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EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)cc1N)CC2=O 587465509 DUITWZCDZIUMAW-IBGZPJMESA-N 329.371 3.947 0 1 EHAF CCC(C)(C)c1ccc(OCc2nc3c(O)nc(S)nc3[nH]2)cc1 587565342 CALNVGKGGVBNSD-UHFFFAOYSA-N 344.440 3.614 0 1 EHAF C[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582300 ZMEKAABTMOCKDN-RXVVDRJESA-N 347.370 3.851 0 1 EHAF CCSCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615894 ZQZYHLJPIUYTBQ-ZBFHGGJFSA-N 330.405 3.866 0 1 EHAF CC(C)(C)OC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661366 YAVVNHMRMWYHFF-UHFFFAOYSA-N 340.354 3.986 0 1 EHAF Fc1ccc2c(CN3CCO[C@H](COc4ccccc4)C3)c[nH]c2c1 653726632 RBBZCGHPFRVKOO-SFHVURJKSA-N 340.398 3.587 0 1 EHAF COc1cc2c(cc1OC)[C@@](C)(c1ccnc(Cl)c1)N(C)[C@@H](C)C2 962617179 ASYQLTIPXCTZKU-HXPMCKFVSA-N 346.858 3.892 0 1 EHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCCC23CCC3)N1 962972233 IEHXTICNFWRHPX-PXAZEXFGSA-N 341.785 3.767 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@@]31CCc2ccc(F)cc2C1 963047372 ONTAAVSPTJTEMU-JOCHJYFZSA-N 348.421 3.912 0 1 EHAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cc[nH]c(=N)c3)cc2)c1 1857573695 PJISZTIOUZPTEW-CQSZACIVSA-N 347.418 3.661 0 1 EHAF O=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)C1CCCCC1 1857760560 XDHWREFYIZOJQV-UHFFFAOYSA-N 347.422 3.848 0 1 EHAF CC=C1CN2[C@H]3C[C@H]1[C@@H](COC(C)=O)[C@H]2Cc1c3[nH]c2ccccc12 2356413311 WNCGZDXLEZTMEA-QOJCHSLYSA-N 336.435 3.595 0 1 EHAF Cc1ccnc(NC(=O)c2cccc(NC(=O)Cc3ccccc3)c2)c1 4631115 CWNTYQHRMWPEFH-UHFFFAOYSA-N 345.402 3.824 0 3 EHAF CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40442135 JERGUCIJOXJXHF-UJPCIWJBSA-N 332.484 3.630 0 3 EHAF COc1ccccc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579601 YRAUTLYWIVLAAX-KRWDZBQOSA-N 347.842 3.628 0 1 EHAF C[C@@H](C(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]21C 26386054 WABPWKRYVLWCHS-ATKWPCDNSA-N 345.483 3.621 0 1 EHAF CCOC(=O)Nc1ccc(NCc2ccc(C)c(Cl)c2)nc1N 26822978 BWOIHNOMXINNBQ-UHFFFAOYSA-N 334.807 3.806 0 1 EHAF COc1ccc(-c2nc(-c3ccc(O)cc3O)cs2)c(OC)c1 28824999 BASHTCWRHDHZNI-UHFFFAOYSA-N 329.377 3.906 0 1 EHAF COc1ccc2c(c1)c1c(n2C)Cc2ccccc2CCN(C)CC1 28894035 PZOVIFGFKIPBAC-UHFFFAOYSA-N 334.463 3.808 0 1 EHAF Cc1ccc(-c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1 72175339 DQWBQIDXKGHXFO-UHFFFAOYSA-N 344.414 3.828 0 1 EHAF COc1cc(OC)c2nc(C)c3c(C)nc(-c4cnccc4C)n3c2c1 73195931 CUJLFJITXUBBRJ-UHFFFAOYSA-N 348.406 3.887 0 1 EHAF CC[C@@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2cccc(C)c2)n1 82147652 MLFRFQCJDOGTNL-CQSZACIVSA-N 326.444 3.754 0 1 EHAF CCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F 100815103 FEKDESZBFVYOOA-UHFFFAOYSA-N 334.297 3.604 0 1 EHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccs3)cc2)C[C@H]2CC[C@H]1N2 101009242 OJTSMYGJKFOMBK-YFHUEUNASA-N 327.449 3.812 0 1 EHAF C[C@@H]1N(C)[C@H]2CCC[C@@]1(c1cccc(OC(=O)c3cccnc3)c1)C2 101256376 FNSLGCOOWYVZGC-UQASEVPWSA-N 336.435 3.815 0 1 EHAF CCO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@H]1c1ccncc1 101505480 JAHBJGLHBUFHGD-HVESIFNPSA-N 334.379 3.933 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CC[C@H]4O[C@H]5OC=CC5=CC[C@]1(C)[C@@H]4[C@]23C 137577941 MJOIUHICZLWCRE-NDMWCWKFSA-N 330.424 3.576 0 1 EHAF Cc1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1C 587035197 PRYQTUKZMCFEPJ-UHFFFAOYSA-N 325.437 3.660 0 1 EHAF Cc1cnc(Cl)c2[nH]c([C@H](N)Cc3ccc(O)c(Cl)c3)nc12 587052809 NPQDTALKIGBHRL-SNVBAGLBSA-N 337.210 3.521 0 1 EHAF N[C@@H](N=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079388 DHJCJVJPMCXOGU-CABCVRRESA-N 328.759 3.616 0 1 EHAF Cc1cc2nc(C(F)(Br)Br)[nH]c2cc1F 587089194 ZNEMDOGMUDAQJK-UHFFFAOYSA-N 339.965 3.880 0 1 EHAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587151146 QGYNCOXSQHORJK-VIFPVBQESA-N 343.333 3.866 0 1 EHAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Br)ncc2[nH]1 587162825 DYVFVPRVDRFFDO-AWEZNQCLSA-N 349.207 3.511 0 1 EHAF O=C(Nc1cccc(-c2nc3ccnc(O)c3[nH]2)c1)c1ccc(F)cc1 587164037 QMUZFTBSZWTEAR-UHFFFAOYSA-N 348.337 3.722 0 1 EHAF COC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346223 IEIJKTUSVNRMAK-QUCCMNQESA-N 342.366 3.685 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1cccc(F)c1)O2 587384723 NSXSUPFVVHYKCQ-KRWDZBQOSA-N 337.354 3.813 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(CCOC)s1)CC2=O 587496134 RTYKXEFJEYKCIN-OAHLLOKOSA-N 347.436 3.697 0 1 EHAF CCc1nn(C)c(OC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515366 LHWKYOMRNUWHFQ-QGZVFWFLSA-N 340.423 3.576 0 1 EHAF O=C1C[C@H](c2cc3c(cc2O)OCO3)Oc2c1ccc1c2CCCC1 587535560 LBCHDHWYAORULI-QGZVFWFLSA-N 338.359 3.706 0 1 EHAF CC(=O)[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814794 VSNFRUVLEMPEPX-KOSWAMCASA-N 328.225 3.563 0 1 EHAF COc1ccccc1CC(=O)c1nc2c(Cl)ncc(Cl)c2[nH]1 587928877 CVXSRGNABTZDKX-UHFFFAOYSA-N 336.178 3.699 0 1 EHAF COc1ccc2c(c1)C[C@H](c1nc3ccc(C(=O)N(C)C)cc3[nH]1)CC2 587946159 KOSXZZFMWDDNKS-CQSZACIVSA-N 349.434 3.546 0 1 EHAF COc1ccc([C@H](C(=O)NC2CCCC2)N2C[C@@H](C)C[C@H](C)C2)cc1 621436824 PAQXPCNSQCVWRB-TWOQFEAHSA-N 344.499 3.773 0 1 EHAF O=C1COc2ccc(Cl)cc2[C@@H]2CC(c3ccc(F)cc3)=NN12 653706306 CAXBGPNZARHFEX-HNNXBMFYSA-N 330.746 3.549 0 1 EHAF CC(C)NC(=O)c1csc([C@@H](O)c2ccc(C(C)(C)C)cc2)n1 1857615288 FYSURCRWQJZGMI-HNNXBMFYSA-N 332.469 3.661 0 1 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CCCCN(CCCC)CCn1c(=O)ccc2c(C)cc(C)nc21 169336340 MQBOXBQSQRKNAM-UHFFFAOYSA-N 329.488 3.916 0 1 EHAF Nc1ccc2[nH]c(C(=O)N3CCC(Cc4ccccc4)CC3)cc2c1 35259619 ZWTBZLZNVLIXOQ-UHFFFAOYSA-N 333.435 3.845 0 1 EHAF CC[C@@]1(O)C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC(C)C 3876055 TUNMGCULOKMBNJ-DJPFJPOOSA-N 347.499 3.810 0 1 EHAF O=C(c1ccsc1)N1CCC[C@](CO)(CCc2ccccc2)C1 11996987 UMMLEAXWRDLCFP-IBGZPJMESA-N 329.465 3.596 0 1 EHAF O[C@@H](c1ccccc1)c1ccc(OCCO[C@H]2CCCCO2)cc1 26390651 SNTZEXZITQEAJL-PMACEKPBSA-N 328.408 3.690 0 1 EHAF CC(=O)N1CCC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26944190 PAPPHBRFOXAGKW-KEDMDAKRSA-N 333.516 3.991 0 1 EHAF O=C(Nc1nccs1)c1ncsc1CCOCc1ccccc1 28469046 YQKMTCHZHHLEQC-UHFFFAOYSA-N 345.449 3.611 0 1 EHAF CCN(C)c1ccc([C@H]2CC(=O)c3cc(OC)c(OC)cc3O2)cc1 45390100 QGAHRZOVYHHGMU-QGZVFWFLSA-N 341.407 3.866 0 1 EHAF C[C@@H]1CCCCN1CCCNCc1coc(-c2ccc(F)cc2)n1 72183104 RYAZYVHNWKAVLK-OAHLLOKOSA-N 331.435 3.835 0 1 EHAF CN1CCN(C2=Nc3ccccc3Sc3ccc(F)cc32)CC1 88369779 GSYXWIMVZURMCS-UHFFFAOYSA-N 327.428 3.616 0 1 EHAF Cc1c(O)c(=O)ccn1CCCNc1ccnc2cc(Cl)ccc12 95586734 GWJITNQDCLVADS-UHFFFAOYSA-N 343.814 3.566 0 1 EHAF COc1cc(-c2cc3cc(/C=C/C(=O)O)cc(O)c3o2)ccc1O 96934953 YTUCCJMIJGDJEV-GORDUTHDSA-N 326.304 3.617 0 1 EHAF N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)c1nc2ccccc2s1 98176741 LNICGPIFGSWGNV-BJMVGYQFSA-N 339.332 3.680 0 1 EHAF COCc1c(N)[nH]cc2nc3ccc(OCc4ccccc4)cc3c1-2 100806170 GOUJRJVUENOBPQ-UHFFFAOYSA-N 333.391 3.975 0 1 EHAF COc1ccccc1/C=C1/N=C(C)N(c2ccc(C(C)=O)cc2)C1=O 103197205 NJOJTDBEQNZKRD-LDADJPATSA-N 334.375 3.704 0 1 EHAF Cc1ccc2cc(/C=C/C(=O)NC3=C(C(=O)O)CCCC3)ccc2n1 169326317 UUEBKSCIYJNVNR-DHZHZOJOSA-N 336.391 3.585 0 1 EHAF Oc1cccc(CCCCc2nc3ccc(Br)nc3[nH]2)c1 586896522 STVCLFKOJGOFPU-UHFFFAOYSA-N 346.228 3.991 0 1 EHAF CC(C)(SCc1nc2ccc(Br)c(F)c2[nH]1)C(=O)O 586959735 PSBMMQYUOZYCID-UHFFFAOYSA-N 347.209 3.561 0 1 EHAF COc1cncc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232679 ZDBIBECABKTNRZ-UHFFFAOYSA-N 334.379 3.516 0 1 EHAF O=C(Nc1ccccc1)c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 587243556 GCLFVWYLMPBFPD-UHFFFAOYSA-N 349.781 3.926 0 1 EHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(Cl)nc3[nH]2)cn1 587247465 MNZDWTQFTVTCJM-UHFFFAOYSA-N 329.791 3.658 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1[C@@H]1CCCN1C)O2 587392498 ANZPHSDSOLZXMC-KNBMTAEXSA-N 328.456 3.566 0 1 EHAF Cc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407328 IHMQXQPLOWNSMQ-HXUWFJFHSA-N 339.391 3.611 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CCC)(C1CCNCC1)CC2=O 587478726 BLNYHUJNXLHAGT-FQEVSTJZSA-N 331.456 3.848 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCCc3[nH]c(O)cc31)CC2=O 587484811 NQDVMOYUVZUUQD-LJQANCHMSA-N 327.380 3.575 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ccccn13)CC2=O 587487090 DCGYDRQITKAMEI-HXUWFJFHSA-N 336.391 3.873 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnc3c(c1)CCCO3)CC2=O 587491035 RCUCNTVYOZDCLN-SFHVURJKSA-N 339.391 3.771 0 1 EHAF COc1ccc(OC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527947 ZUJJDYMSDXJVSW-QGZVFWFLSA-N 338.403 3.987 0 1 EHAF CCC[C@@]1(C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587810161 CAKCZMOBLDAZRC-PSLIRLAXSA-N 328.225 3.707 0 1 EHAF C[C@@H]1C(=O)CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587818323 QLEIOQHNSLISNU-XIZWVBILSA-N 340.236 3.707 0 1 EHAF COc1cccc2cc3c(nc12)[C@H](c1ccnc(Cl)c1F)NCC3 963062478 DFFNWFRTVFGECK-KRWDZBQOSA-N 343.789 3.666 0 1 EHAF Cc1ccc(-c2ccc(N[C@H]3CC[C@H](O)CC3)c(C(N)=O)c2)c(C)c1 1857630151 HYUDCOLRTNVBJV-QAQDUYKDSA-N 338.451 3.785 0 1 EHAF Cc1cccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)no2)c1 1857655606 OVMRFSVMHGJMOJ-UHFFFAOYSA-N 344.317 3.606 0 1 EHAF C[C@H]1C=C[C@H]2CCC[C@@H](C)[C@H]2[C@@]12C(=O)N[C@@H](Cc1ccccc1)C2=O 2356678966 ZUCYLMDAXHXTEP-ONZQJBOQSA-N 337.463 3.541 0 1 EHAF Cc1ccccc1NC(=O)C[C@@]1(C)N=C(c2ccccc2C)N(C)O1 74373205 VTZFQLAONOXZNS-FQEVSTJZSA-N 337.423 3.672 0 3 EHAF CC1=C[C@]2(CC[C@@H](C)C[C@H]2C(=O)NCc2ccc(Cl)cc2)OC1=O 4670309 VNXDSBYOCABWNX-GFJSAUFNSA-N 347.842 3.634 0 1 EHAF COc1cc2nc3occc3c(OC)c2cc1OC[C@@H]1OC1(C)C 15222508 QNBSHIXWTBEZSA-HNNXBMFYSA-N 329.352 3.554 0 1 EHAF biogenic COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1cc(C)[nH]n1 26671608 PGIPGIPQMLZFQT-UHFFFAOYSA-N 336.417 3.508 0 1 EHAF COc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1OC 29306354 VYULJJQJMNQFPT-PXNSSMCTSA-N 343.423 3.926 0 1 EHAF COc1ccc(S(=O)(=O)N2CCC=C(c3ccccc3)CC2)cc1 43078594 IZVJVOFBODYIPK-UHFFFAOYSA-N 343.448 3.563 0 1 EHAF COC(=O)c1c(C)csc1NC(=O)Cc1cccc2cc[nH]c12 66074086 SJNCXKGDCBKLHV-UHFFFAOYSA-N 328.393 3.506 0 1 EHAF CC(C)(C)Cc1c[nH]c(C[C@](C)(O)c2ccc(-n3cccn3)cc2)n1 66080537 DLQVEFMBHFLTJU-FQEVSTJZSA-N 338.455 3.634 0 1 EHAF CCOc1ccc(-c2nc(CN(C)CCN(CC)CC)co2)cc1 72179992 RQPYNOKELVIRQQ-UHFFFAOYSA-N 331.460 3.514 0 1 EHAF COc1cc(O)cc(-c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)c1 96913339 JXZMKFVREPXPRP-UHFFFAOYSA-N 336.391 3.510 0 1 EHAF COc1ccc([C@H](C)Cn2ccnc2O)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2 100906559 GWUQKOQGKGTLBN-SZXPJGKVSA-N 342.439 3.968 0 1 EHAF Cc1cccc(Cl)c1S(=O)(=O)Nc1cccc2cccnc12 205629705 VKUZBVCGWSWKSA-UHFFFAOYSA-N 332.812 3.997 0 1 EHAF COC(=O)[C@H]1[C@@H](c2cccc(-c3ccco3)c2)C[C@H]2CC[C@H]1N2C 253699405 ITEKLFIKJBIAEP-MTNOOBJLSA-N 325.408 3.686 0 1 EHAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@H]3CC[C@@]12C 253712452 VQISOTOPDCGBAH-WUMWUFLWSA-N 349.515 3.924 0 1 EHAF CC1=C[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CCC(C)=CCC[C@@]2(C)O[C@H]2CC1 254051151 NPQGFYMXLKPQTD-XHHHBCLVSA-N 334.456 3.636 0 1 EHAF O=C1O/C(=C/c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2ccccc21 586906085 ITDZZHSENAMPSX-KPKJPENVSA-N 342.257 3.553 0 1 EHAF CN(C)CCOc1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 587043121 OOOVQYSETPSGEB-SFHVURJKSA-N 339.464 3.893 0 1 EHAF COc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1F 587069304 IJQDWJOMGWQBHP-LLVKDONJSA-N 333.794 3.649 0 1 EHAF COc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2n1 587088241 UURFORBWOLWCCO-UHFFFAOYSA-N 337.770 3.744 0 1 EHAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Cl)ncc2[nH]1 587233993 UVGXUSHYHBYJRP-VHSXEESVSA-N 336.823 3.772 0 1 EHAF Cc1ccc(NC2(c3nc4cccc(C(N)=O)c4[nH]3)CCCC2)cc1 587237264 PHBBXVHIDGRMFU-UHFFFAOYSA-N 334.423 3.852 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3O[C@H]32)[C@H]1c1ccc(F)cc1 587360349 VBJITWCPJXIPCZ-SMMRIJLZSA-N 340.350 3.580 0 1 EHAF COc1cccc(-c2n[nH]cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587396599 MQLQOXORODEQOY-SFHVURJKSA-N 349.390 3.682 0 1 EHAF COc1ccc2[nH]cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2c1 587396687 NWLDCLGKQKSYRX-FQEVSTJZSA-N 336.391 3.948 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1nc(C)no1)[C@@H](C2)C3=O 587436892 CFIOKNYSFVDXKG-KXBFYZLASA-N 348.358 3.542 0 1 EHAF COc1cc2c3c(c1)O[C@@](Cc1ccccn1)(C(C)(C)C)[C@@H](C2)C3=O 587437304 ZGQKHHOZKIFJRY-HRAATJIYSA-N 337.419 3.865 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)[C@H]1C(=O)OCC)CC2=O 587479401 IGPXHMZAJXJXIC-GIJMVEMTSA-N 346.423 3.658 0 1 EHAF Cc1ccc2c(c1C)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587525589 OAEREJMQYAUZKG-QFIPXVFZSA-N 347.414 3.995 0 1 EHAF COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2cc(F)ccc12 587634200 DSFAMAUNFAXBAI-UHFFFAOYSA-N 333.265 3.608 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2N)N1 587746840 IFPSMCYGCMSCEA-BTDLBPIBSA-N 349.247 3.968 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCOC2)N1 587833426 GHZDRKZLPYAYJD-NSODJVPESA-N 342.252 3.764 0 1 EHAF Cc1cc2c(cc1F)[C@H](c1csc(-c3ccncc3)n1)NCC2 962090312 IGYKJSMQNRBFSD-QGZVFWFLSA-N 325.412 3.888 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1c2ccc(C)c1C 962939987 CQFKRWOYPZVSHR-JLCFBVMHSA-N 345.446 3.905 0 1 EHAF CNc1nc(CCc2cccc(F)c2)nc2sc(C(=O)O)c(C)c12 1772642176 XDFDOBAEDLQMFE-UHFFFAOYSA-N 345.399 3.664 0 1 EHAF O=C1Nc2cc(Cl)cc(Cl)c2[C@]1(O)c1cc(Cl)ccc1O 21694 NYUYNFYXPTXKPX-CQSZACIVSA-N 344.581 3.540 0 1 EHAF COc1c(O)ccc2c1-c1nccc3c(OC)c(OC)c(OC)c-2c13 14516299 ITNPIQKWSDYARV-UHFFFAOYSA-N 339.347 3.622 0 1 EHAF biogenic,in-vitro CC(C)=C[C@@H]1C[C@@]2(C)C[C@@H](O1)c1c(cc3oc(=O)ccc3c1O)O2 14681719 UGXAINRVKCZGGB-VWCVUJCZSA-N 328.364 3.836 0 1 EHAF biogenic CC1(C)CCc2c(O)cc(O)c([C@@H](CC(=O)O)c3ccccc3)c2O1 14766815 CGBKDRQFLKWOSW-AWEZNQCLSA-N 342.391 3.808 0 1 EHAF biogenic Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)[C@H]2C[C@H]2C)s1 14952094 RUBISUIXANSRAF-ZJUUUORDSA-N 349.843 3.952 0 1 EHAF CCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1 28332212 LIYHTWFHJHKYFZ-UHFFFAOYSA-N 342.439 3.784 0 1 EHAF COC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cccc(O)c1 28522688 WBRLLGZJHHRNMD-INIZCTEOSA-N 330.771 3.963 0 1 EHAF COc1cc(-c2ccc3c(c2)Nc2cc(N)ccc2NC3=O)ccc1N 28710748 DWIPJLDMMUUBRZ-UHFFFAOYSA-N 346.390 3.836 0 1 EHAF Cc1cc(CC(=O)O)c(N)c(C(=O)c2ccc(Cl)cc2Cl)c1 28770800 YGZBDEDBFYZFIJ-UHFFFAOYSA-N 338.190 3.742 0 1 EHAF O=C(Cc1cccc2sccc12)N[C@@H]1CCCC[C@H]1N1CCCC1 29388733 INBKHEDGCOZFOG-QZTJIDSGSA-N 342.508 3.967 0 1 EHAF COc1ccccc1CN(C)CCCCn1c(=O)oc2ccccc21 43014043 KZAFYRWLLSLGFA-UHFFFAOYSA-N 340.423 3.515 0 1 EHAF COc1ccccc1CNc1cc(-c2cccc(C(C)=O)c2)ncn1 82161391 GQOXZTYCZPOFNO-UHFFFAOYSA-N 333.391 3.967 0 1 EHAF CC(C)(C)n1nc(Cc2cc(Cl)ccc2F)c2c(N)ncnc21 95584373 VCZGGLWJIRASQR-UHFFFAOYSA-N 333.798 3.547 0 1 EHAF COC(=O)CC[C@@H](C)N[C@@]1(c2ccccc2Cl)CCCCC1=O 96911364 DXFKXPYVXFWPHN-FZKQIMNGSA-N 337.847 3.610 0 1 EHAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1C[C@H](c2ccccc2)[C@@H]2C[C@@H]21 169704915 MNEYZABFWBZKLE-MMMWYMCRSA-N 332.407 3.877 0 1 EHAF [O-][n+]1ccccc1SCc1nc2cc(Cl)c(Cl)cc2[nH]1 586968560 AJACHJIYTPBWAU-UHFFFAOYSA-N 326.208 3.795 0 1 EHAF O=C1c2ccccc2-c2cc(-c3ncccn3)nc3ccc(O)c1c23 586987511 CAWRWHDDFGJXHS-UHFFFAOYSA-N 325.327 3.609 0 1 EHAF COc1cncc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006488 OLTZBXJTTHTTKF-UHFFFAOYSA-N 343.184 3.649 0 1 EHAF C[C@@H](O)c1ncc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)s1 587021400 HQZQYUAQTLNECM-ZCFIWIBFSA-N 329.303 3.638 0 1 EHAF COc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1C 587041309 MVKYYFZOMNQGFQ-SJLPKXTDSA-N 339.464 3.826 0 1 EHAF Cc1cc(F)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587043382 ZGTIOTRZOUZCRU-JKSUJKDBSA-N 327.428 3.957 0 1 EHAF CC(=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 587165298 PDVDAAWBGQCJHT-UHFFFAOYSA-N 334.354 3.816 0 1 EHAF Fc1ccc2c(c1)C[C@H](c1nc3ccnc(Br)c3[nH]1)O2 587175561 ZSWAPXSGJMYWTJ-LLVKDONJSA-N 334.148 3.536 0 1 EHAF Nc1ccc2oc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc2c1 587252036 QRSKWKOAGFXROX-UHFFFAOYSA-N 333.326 3.883 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(SC)c1)[C@@H](C2)C3=O 587451042 IOVDRCJJQRRAPP-ORAYPTAESA-N 342.416 3.914 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1C(F)(F)F)CC2=O 587464141 JMSXMCDCYDREBE-CYBMUJFWSA-N 340.301 3.793 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(CO)c1)CC2=O 587488480 JOQKLFFWPOFNOS-FQEVSTJZSA-N 326.392 3.718 0 1 EHAF C[C@]1(c2ccc(Cl)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 587499105 LEUKCELUKAELQU-GOSISDBHSA-N 328.799 3.889 0 1 EHAF Cc1ccc(C)c2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521243 AZPRPROYONHMPR-QFIPXVFZSA-N 347.414 3.995 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1 587607337 IALUSXSEDLJMTA-YLJYHZDGSA-N 334.327 3.801 0 1 EHAF COc1ccc(CNc2cc(-c3ccccc3)nc(N(C)C)n2)cc1 653771389 LOGTZYUSLBIMRH-UHFFFAOYSA-N 334.423 3.830 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@]12CCCc1sc(N)nc12 963233425 UCIKNQWDRPFSRK-YJYMSZOUSA-N 327.497 3.962 0 1 EHAF COc1cc(F)c([C@@H]2NCCc3c(OC)ccc(Cl)c32)c(F)c1 963268902 AQLWRKJJMDHFMG-QGZVFWFLSA-N 339.769 3.871 0 1 EHAF CCN(CCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1 1857551744 NEOMFPFEJLOQMR-UHFFFAOYSA-N 327.424 3.886 0 1 EHAF CC1=C(C(=O)OC(C)C)[C@H](c2ccc[nH]2)N2C(=N1)Nc1ccccc12 1911570915 VHGQLJLLRQYJDM-KRWDZBQOSA-N 336.395 3.583 0 1 EHAF COC1=CC(=O)O[C@H](c2coc(C(C)=Cc3ccc(Cl)[nH]3)n2)[C@H]1C 2356615602 HVDWUEDXQDMWCX-QFYYESIMSA-N 348.786 3.981 0 1 EHAF CC=C1CC[C@H]2C3=Nc4ccccc4[C@@]34C[C@@H](C[C@H]4OC(C)=O)N2C1 2356624961 VNHKEWIAYPUPDF-MYKSZAICSA-N 336.435 3.529 0 1 EHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC=C2[C@@H]1C[C@@H](O)[C@H](O)C2(C)C 2356640915 WFFSKSWERRSCHE-LPPNQSFOSA-N 336.472 3.538 0 1 EHAF C[C@@]1(CCc2ccc3c(c2)OCO3)NCCc2c1[nH]c1ccccc21 3348537 CHIDPNJZRBQMMV-NRFANRHFSA-N 334.419 3.890 0 3 EHAF Cc1ccccc1-c1noc2c(Cl)c3c(cc12)C[C@@H](C(=O)O)O3 25975918 HWYJZZHNVXPHQA-LBPRGKRZSA-N 329.739 3.845 0 1 EHAF CCN(CC)CC[C@@H]1COC(c2ccccc2)(c2ccccc2)[C@@H]1O 26716922 OLNWUMKYDNNISB-WIYYLYMNSA-N 339.479 3.669 0 1 EHAF CCCOc1c(OC)cc(N[C@@H](C)CCCN)c2nccc(C)c12 28218947 BSGAORSFFAGDFR-AWEZNQCLSA-N 331.460 3.880 0 1 EHAF Cc1cc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)nc(C)n1 28647404 SHKSWMGAIQHEJR-HNNXBMFYSA-N 337.807 3.665 0 1 EHAF CN1CCC[C@@H]1[C@@H]1C[S@@](=O)[C@@](c2ccccc2)(C2CCCCC2)O1 40424491 UNZBDOQVZFAUNP-XUJKJYMVSA-N 347.524 3.661 0 1 EHAF O=C(C1CC1)[C@@H](c1ccccc1F)N1CCc2sc(O)cc2C1 100051467 MPLQNQUWLWGOET-QGZVFWFLSA-N 331.412 3.671 0 1 EHAF endogenous,world FC(F)(F)c1cccc(Nc2nnnc3ccc(Cl)nc23)c1 103272002 KBBLHKFHSBUUHK-UHFFFAOYSA-N 325.681 3.836 0 1 EHAF C[C@](O)(c1ccc(OC(F)(F)F)cc1)c1ncnc2ccccc12 299860792 HDBMORQSVIPDTH-INIZCTEOSA-N 334.297 3.784 0 1 EHAF Oc1cccc(CCc2nc3cc(Br)c(F)cc3[nH]2)c1 586897243 WIWRMEFEXMIJGV-UHFFFAOYSA-N 335.176 3.955 0 1 EHAF O[C@H]1C[C@H](c2nc3cccc(Br)c3[nH]2)c2ccccc21 586900231 AUFBGWFXEWDTJQ-FZMZJTMJSA-N 329.197 3.894 0 1 EHAF O[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccccc1Cl 587059249 MMYSMRZXHNKRCA-MRXNPFEDSA-N 342.761 3.623 0 1 EHAF Cc1onc(-c2nc3ncncc3[nH]2)c1COc1ccccc1Cl 587062797 ANHFJEHTBIQBKU-UHFFFAOYSA-N 341.758 3.549 0 1 EHAF C[C@]1(c2nc3c(Cl)ccnc3[nH]2)C=C(c2ccccc2F)NO1 587154637 FJPWLQLEFBKXPE-MRXNPFEDSA-N 330.750 3.542 0 1 EHAF O=C(Cc1cc2c3c(cccc3n1)CC2)NCc1ccccc1Cl 587209198 JIQCOSLDJDLLCK-UHFFFAOYSA-N 336.822 3.846 0 1 EHAF CCN(CC)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 587386494 JZDNMGLACFOJRV-IBGZPJMESA-N 340.423 3.836 0 1 EHAF C[C@@H]1SCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587855602 GTSIEXBUUQUVMR-TVLCNXBWSA-N 330.266 3.843 0 1 EHAF COc1ccc(/C=C\Cc2nc3cc(Cl)cnc3[nH]2)c(OC)c1 587930736 UXPLRUYMOUJKGT-ARJAWSKDSA-N 329.787 3.884 0 1 EHAF CCc1ccc(C(=O)CCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 587957152 QYYSGKGHHYORJS-LJQANCHMSA-N 336.395 3.665 0 1 EHAF COc1ccc(-c2cc(=O)n3ncc(-c4ccc(F)cc4)c3[nH]2)cc1 653672749 RDTDBZZRDSVAHM-UHFFFAOYSA-N 335.338 3.504 0 1 EHAF CCOC(=O)c1ccnc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1 963097170 FQGBPRVXZPYXLR-LPHOPBHVSA-N 340.398 3.507 0 1 EHAF COc1cccc(-c2c[nH]c([C@@H](O)c3cc(C)c(OC)c(C)c3)n2)c1 61898483 XVMOICDOHQPYQR-SFHVURJKSA-N 338.407 3.792 0 3 EHAF Cn1cc(-c2ccc3c(c2)N(CC2CCCCC2)C(=O)COC3)cn1 74375570 OQPIPMDHXPJDIA-UHFFFAOYSA-N 339.439 3.531 0 3 EHAF C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(CC[C@H]12)[C@@H]1OC[C@@H](O)[C@@]1(C)CC3 2356335710 DHNPDIUJAHKZCY-YDMLNEHTSA-N 334.456 3.534 0 1 EHAF CC=C(C)C(=O)O[C@]12Cc3occ(C)c3C[C@]1(C)[C@@H](C)C[C@H](O)C2 2356378156 YAVCGZXBKFFNQX-IQGAEYHTSA-N 332.440 3.732 0 1 EHAF CC1(C)C[C@@H](c2cc(O)n3nc(-c4cccs4)cc3n2)CCO1 103525075 NIIHVWLBPCCQAY-NSHDSACASA-N 329.425 3.836 0 1 EHAF O=C1[C@@H]([C@H](O)c2cnc3ccccc3c2)CCCN1Cc1ccccc1 103295688 YKUXXJIJRLTFPD-TZIWHRDSSA-N 346.430 3.707 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3cc(O)ccc3CC[C@@H]21 100620760 KBRVHSFDUWUYOP-RXVVDRJESA-N 346.430 3.985 0 1 EHAF COc1ccc([C@@H](Nc2ccccc2)P(=O)(OC)OC)cc1O 103299957 AAIRNPCDRYLHNL-INIZCTEOSA-N 337.312 3.997 0 1 EHAF CSc1ccc(Cc2nn(CN3CCCCC3)c(=S)o2)cc1 64446873 OOTDPRLSVDPUKK-UHFFFAOYSA-N 335.498 3.962 0 1 EHAF CC(C)Cc1ccc([C@H](C)C(=O)CN2C(=O)c3ccccc3C2=O)cc1 29480926 TZPABJVPAMBQMQ-HNNXBMFYSA-N 349.430 3.854 0 1 EHAF COc1cc(Cl)ccc1O[C@@H](c1ccccc1C)[C@@H]1CNCCO1 29049907 QMMAMXVYCMLPGH-OALUTQOASA-N 347.842 3.766 0 1 EHAF in-vitro CC1(C)C(=O)[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2[C@@H](O)C[C@H]1C3 2356566487 JCSHAZPWEHTAMT-LBWHQKKJSA-N 348.483 3.660 0 1 EHAF COc1ccccc1C(=O)c1nc(C(=O)O)cc2c1[nH]c1ccccc12 66079232 NHIXMEKLWZDHDX-UHFFFAOYSA-N 346.342 3.654 0 1 EHAF Cc1ccc(S[C@H](C)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 2356608354 MJNTUORGNLDPKV-LBPRGKRZSA-N 336.434 3.605 0 1 EHAF CCN1CN=C(O)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 28564001 PAHNNPSAOOZNAN-OALUTQOASA-N 341.499 3.797 0 1 EHAF Cc1c(C(=O)O[C@H](C)C(C)(C)C)c[nH]c1C(=O)Oc1cccnc1 26248196 XSTONGFHFLQEPU-GFCCVEGCSA-N 330.384 3.529 0 1 EHAF CCc1ncnc(N[C@H](C)c2ccc(OC(=O)N(C)C)cc2)c1Cl 28887756 WQBLYIMPINYEKM-LLVKDONJSA-N 348.834 3.926 0 1 EHAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C(=O)O)[C@]2(C)CCC(=CCO)CO 2356781853 CARVBZGFRUGPHE-LFGUQSLTSA-N 336.472 3.541 0 1 EHAF COc1ccc([C@H](O)CCN2CC=C(Cc3ccccc3)CC2)cc1 84759602 PQGQRUUEBWORMY-JOCHJYFZSA-N 337.463 3.994 0 1 EHAF O=C1c2cc(F)ccc2S[C@@H]2c3[nH]c4ccc(O)cc4c3CCN12 220443745 TWJVIADIPFHIDP-GOSISDBHSA-N 340.379 3.815 0 1 EHAF Cn1cc(-c2ccc(Cn3c(=O)ccc4ccccc43)c(F)c2)cn1 95594260 RKXLMQXEUZYUGC-UHFFFAOYSA-N 333.366 3.589 0 1 EHAF CC[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C)[C@@H]4CC1)[C@@H]32 32151272 VTDXGWFEGNRRSX-BVOGOJNSSA-N 326.484 3.810 0 1 EHAF biogenic CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587588421 KOSFEQQLHNPBSK-PXNSSMCTSA-N 335.359 3.986 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)o2)N1 587830781 URKXZXZMYQOHGA-VXJOIVPMSA-N 338.176 3.617 0 1 EHAF Cc1cncc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587077296 VAMFMPXWMLJOMU-UHFFFAOYSA-N 339.786 3.755 0 1 EHAF Fc1cc2[nH]c(-c3csc4c3CCOC4)nc2cc1-n1cccn1 587032161 PXRMUFODNWGSLG-UHFFFAOYSA-N 340.383 3.689 0 1 EHAF Cc1ccc2c(ccc3nc(CCn4ccc(C(F)(F)F)n4)[nH]c32)n1 587119519 YYHWKMWYKNYIMO-UHFFFAOYSA-N 345.328 3.878 0 1 EHAF COc1c(F)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587383115 XSFBBAJIBUMFBL-SFHVURJKSA-N 333.334 3.745 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccn1C 587865859 MEMLHDPDDMAAMC-UHFFFAOYSA-N 336.317 3.690 0 1 EHAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(OC)c(F)cc3[nH]2)cc1 587937635 QIULAGSKUIFRIO-DYZYQPBXSA-N 330.359 3.556 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](C)C2=O)N1 587822835 MPVRPISOHVYUJV-LYGAQUJYSA-N 340.236 3.707 0 1 EHAF CC[C@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587812158 INZUWHIRBJWGIE-RFAUZJTJSA-N 328.225 3.707 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cn(C4CCCC4)nc1C)[C@@H](C2)C3=O 587429813 AXTOPMKRYCSDOP-MGPUTAFESA-N 338.407 3.804 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nc3ccc(Cl)cn13)O2 587383476 XJCISXOQXNAQSE-HNNXBMFYSA-N 341.798 3.893 0 1 EHAF CN(C)CCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988166 FRDAKZUYNPBRRG-UHFFFAOYSA-N 332.403 3.646 0 1 EHAF C[C@@]1(Cc2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588953 VPYOHEJQGBOFKT-RXVVDRJESA-N 347.370 3.750 0 1 EHAF O=C1C[C@](Cc2cccs2)(C(=O)O)Oc2c1ccc1c2CCCC1 587532418 QOMXLLUZJBHJND-LJQANCHMSA-N 342.416 3.658 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(COCc3cc(OC)ccc32)N1 962947487 NOLHETDJLCLBMK-QRQCRPRQSA-N 348.446 3.875 0 1 EHAF CC[C@H](C)Oc1ccccc1CNC(=O)c1ccc2cnccc2n1 5846567 QBIVRVOTCLJESK-AWEZNQCLSA-N 335.407 3.737 0 1 EHAF CSc1nc2c(sc3ccccc32)c(=O)n1C[C@H]1CCCO1 2962139 CRVUQTLIKDUISE-SNVBAGLBSA-N 332.450 3.512 0 1 EHAF O=C(O)c1ccc2c(c1)[C@H](NCc1cccnc1)c1ccccc1CO2 3801381 GUAVXMUJVVEXBF-HXUWFJFHSA-N 346.386 3.551 0 1 EHAF C=CCc1ccc(O[C@@]23C[C@H](CC=C)C(=O)C=C2OCO3)c(OC)c1 13453946 OVKOILXZORKADM-YWZLYKJASA-N 342.391 3.552 0 1 EHAF biogenic CN(CC[C@H](Oc1ccc(Cl)cc1)c1ccccc1)CC(=O)O 26167007 PJRFSDCLRQRPCM-KRWDZBQOSA-N 333.815 3.867 0 1 EHAF O=C(c1ccc2ccccc2c1)[C@@H](c1ccccc1)P(=O)(O)O 27879756 XVXRNTOTXWKEAH-GOSISDBHSA-N 326.288 3.942 0 1 EHAF C[C@H]1[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@]2(CCN3CC2CC2)CC(=O)[C@@H]1C 29219877 OPCNDODYLHTBLM-LZGJORBISA-N 339.479 3.532 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CNC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29405420 UOHCSROFYMVISA-KFYPDWBNSA-N 347.499 3.687 0 1 EHAF O=C1NC(=O)c2c1c(-c1ccccc1F)cc1[nH]c3ccc(O)cc3c21 34804164 FWRQPCBUTUSQTJ-UHFFFAOYSA-N 346.317 3.716 0 1 EHAF CCCCNC(=O)c1ccc(-c2cc(OC)c(OC)c(OC)c2)cc1 64553648 JQGSUWYGHPHVAU-UHFFFAOYSA-N 343.423 3.909 0 1 EHAF CCOC(=O)CCN(C)[C@@]1(c2ccccc2Cl)CCCCC1=O 96911384 GNIZNSSNZICSGW-GOSISDBHSA-N 337.847 3.563 0 1 EHAF N=C(OCc1cc[n+](Cc2ccccc2)cc1)C(Cl)(Cl)Cl 98207923 TWCUCVXJAMETKX-UHFFFAOYSA-N 344.649 3.886 0 1 EHAF in-vitro Ic1ccc2c(c1)[C@H]1CN[C@H](C2)c2ccccc21 100740067 CYVJWGKINGZSRF-JKSUJKDBSA-N 347.199 3.624 0 1 EHAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1C[C@H](C)C(=O)C3 100785900 YMCAJSSZWHVMMT-ROZPXGAXSA-N 339.479 3.589 0 1 EHAF COc1ccc(CCO[C@H]2CCCC[C@@H]2N2CCCC2)cc1OC 115050275 GFEAFIVEZCBUNS-ROUUACIJSA-N 333.472 3.670 0 1 EHAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)NCC[C@]4(C)[C@H]3CC[C@]12C 169368704 NRBYKRJQRQZVLV-HGDYXINXSA-N 347.499 3.687 0 1 EHAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2cccc(C)c2)cc1OC 203678157 LQEVDWTWYQWJKK-ZWKOTPCHSA-N 340.419 3.587 0 1 EHAF C/C=C1/CN2[C@H]3C[C@@H]1[C@H](C(OC)OC)[C@@H]2Cc1c3[nH]c2ccccc12 238787309 UIOROXFKWQBBBX-PSUPVPAKSA-N 338.451 3.651 0 1 EHAF CN(C(=O)n1cnc(S[C@@H]2C[C@H]3CC[C@@H]2C3)n1)c1ccccc1 473094055 VMOJRYUJSKHFML-GZBFAFLISA-N 328.441 3.663 0 1 EHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(OC)cc2[nH]1 586963677 QELIBJUNPDZLCW-CYBMUJFWSA-N 330.413 3.619 0 1 EHAF Oc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587029201 JVMBPFFXKAVWOZ-UHFFFAOYSA-N 347.403 3.790 0 1 EHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Cl)ccnc2[nH]1 587078913 CWLZKACNCPWWOE-LBPRGKRZSA-N 346.221 3.989 0 1 EHAF N=c1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc2[nH]1 587253274 FKQABQRBPYZUIY-UHFFFAOYSA-N 344.353 3.515 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cc(Cl)ncc13)O2 587379364 ICPLZDOCUBNDEJ-HNNXBMFYSA-N 327.771 3.813 0 1 EHAF CCn1ncc([C@@]2(C(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587391688 OFCHEUTWZXEIGJ-IBGZPJMESA-N 327.428 3.619 0 1 EHAF CCOc1cc(F)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428806 PTEZEQPCNUFZIE-AUUYWEPGSA-N 328.339 3.722 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)ncn1)CC2=O 587460148 GUQRPLHUIFSFRN-KRWDZBQOSA-N 332.787 3.669 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC)c(N)c1)CC2=O 587469038 GNVLGUCGPXMOFX-HXUWFJFHSA-N 340.423 3.849 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C3OCCO3)o1)CC2=O 587482957 PLXOCZALMBGIFX-QGZVFWFLSA-N 344.363 3.690 0 1 EHAF O=C(O)Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529225 LTWARYWAPUCYOY-LJQANCHMSA-N 336.387 3.899 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCC(=O)O)N1 587831759 XTYVQBCEYBDAIM-RFAUZJTJSA-N 344.224 3.593 0 1 EHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cnc(Cl)[nH]c-2n1 587926080 HKJAWKAMCPLUPB-SNVBAGLBSA-N 332.791 3.517 0 1 EHAF COc1cc(C2(c3nc4cc(OC)c(OC)cc4[nH]3)CC2)ccc1C 587928066 XZBVRGZZISRUIU-UHFFFAOYSA-N 338.407 3.977 0 1 EHAF Fc1cccc2c1[C@H](C1CCN(c3nccs3)CC1)n1cncc1-2 1857543178 WOALNEUXJJGUMC-KRWDZBQOSA-N 340.427 3.965 0 1 EHAF COc1cc2c3c(c1OC1CC1)-c1cc(N)ccc1C[C@@H]3N(C)CC2 1911575953 USOMZJJKRPELBV-KRWDZBQOSA-N 336.435 3.571 0 1 EHAF CC(C)[C@H]1C(=O)c2ccc3c(c2[C@@H]1c1ccc2c(c1)OCO2)OCO3 2356514447 GCJXJQNXJFAOGG-IAGOWNOFSA-N 338.359 3.744 0 1 EHAF CC1=C[C@H](OC=C(C=CC2=C(C)CCCC2(C)C)C(=O)O)OC1=O 2356706894 WUBRWXCVIPHXLX-MRXNPFEDSA-N 332.396 3.884 0 1 EHAF C[C@@H]([C@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C 3904 MJVPVUAVZUCLJO-BLLLJJGKSA-N 343.298 3.867 0 1 EHAF CN(C=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13759937 JEYIJMIYBMHNBY-BPSSIEEOSA-N 331.500 3.767 0 1 EHAF CCCOc1c(OC)cc(N[C@H](C)CCCN)c2nccc(C)c12 28218951 BSGAORSFFAGDFR-CQSZACIVSA-N 331.460 3.880 0 1 EHAF CC1(C)CCOc2ccc(NC(=O)c3ccc(C(=O)O)cc3)cc21 29222298 WRRYNLAYHKQTMD-UHFFFAOYSA-N 325.364 3.697 0 1 EHAF C=Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C 36379098 IERBJUZYZDRIAN-UHFFFAOYSA-N 339.395 3.780 0 1 EHAF O[C@H]1C[C@H](CN2CCC(c3ccccc3)CC2)CCc2cccnc21 40423517 XNOGDHYDNAIZRZ-UTKZUKDTSA-N 336.479 3.947 0 1 EHAF O=c1[nH]ccc2nc(N3CCC(F)(F)C3)c(-c3ccc(F)cc3)cc12 64559451 RWZFIOPDEVIWLA-UHFFFAOYSA-N 345.324 3.575 0 1 EHAF Oc1cccc2c1O[C@H]1CC[C@@H]3C[C@]21CCN3CCc1ccccc1 72177242 QGADLXMTFNOCAX-PIPMEXSNSA-N 335.447 3.892 0 1 EHAF CC(C)OC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1 73390548 DLPQACDNNKNHOH-MOPGFXCFSA-N 334.419 3.723 0 1 EHAF Cc1cccc(-c2noc([C@@H]3CCN3C(=O)c3ccccc3F)n2)c1 95573609 QIOAJXHUUWMBSP-INIZCTEOSA-N 337.354 3.771 0 1 EHAF COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H]1N2C 100825148 OVLMCLBVTLFJPW-QMTHXVAHSA-N 326.223 3.787 0 1 EHAF Nc1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3N)cc1OC2 103273323 SLNPMDJCWMOHDX-UHFFFAOYSA-N 349.365 3.857 0 1 EHAF O=C1[C@H]([C@@H](O)c2cccc(Cl)c2)CCCN1Cc1ccccc1 103284597 KVSUHCXJPBQPTQ-ROUUACIJSA-N 329.827 3.812 0 1 EHAF COc1cc2ccc([C@@](O)(c3cnco3)C(C)C)cc2cc1OC 169338900 KFGRUSFLKJSLMJ-LJQANCHMSA-N 327.380 3.737 0 1 EHAF C/C(=C\Cc1cc2cc(-c3cc(O)cc(O)c3)oc2cc1O)CO 238746524 GPKLNIVEGYWQJZ-BIIKFXOESA-N 326.348 3.698 0 1 EHAF COCOc1ccc2c(c1)O[C@H](C1=CC[C@H]3C[C@H]1C3(C)C)CC2=O 299839232 RZHVOMHASGAZGG-MOFZMDFASA-N 328.408 3.996 0 1 EHAF COc1cc(/C=C/c2nc3cnccc3[nH]2)ccc1Br 586975977 HVPYCEYYFZCJMH-HWKANZROSA-N 330.185 3.899 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CC(=O)[C@@H]3C1 586990105 JDCVSNPBIFVXQX-SKDRFNHKSA-N 327.339 3.696 0 1 EHAF Fc1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006928 SBBWFVOYYZMJGL-UHFFFAOYSA-N 331.148 3.779 0 1 EHAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cccc(C(N)=O)c2[nH]1 587067905 UHGRMBWXFALFMF-SNVBAGLBSA-N 329.787 3.764 0 1 EHAF O=C(O)c1cccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 587120574 PJDZAGXWRBREAQ-UHFFFAOYSA-N 346.268 3.823 0 1 EHAF Nc1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)ccc1F 587139196 AVYKZJPBNWETCD-UHFFFAOYSA-N 341.571 3.762 0 1 EHAF COc1ccc(C)cc1NCCCc1nc2cccc(OC)c2[nH]1 587229037 LZXPEHCSNCDKPJ-UHFFFAOYSA-N 325.412 3.933 0 1 EHAF N[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C1CC1 587255660 LTLLXCWAEWGEJV-SECBINFHSA-N 334.139 3.754 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccn(C)n3)c1)O2 587392690 VUOQMXDVWUNVRU-IBGZPJMESA-N 333.391 3.684 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C3CCCCC3)CC1)O2 587396623 UUZQSBUXQNUJMT-UHFFFAOYSA-N 328.456 3.710 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc4c1OCC4)[C@@H](C2)C3=O 587420225 HUARXHYTISGGIW-DJJJIMSYSA-N 342.778 3.772 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(COC)n1)CC2=O 587489773 WETOKDIYGJGOBB-GOSISDBHSA-N 327.380 3.593 0 1 EHAF O=C1C[C@H](c2cn3c(n2)SCC3)Oc2c1ccc1c2CCCC1 587538121 NPEOPAVDMUDUEI-MRXNPFEDSA-N 326.421 3.574 0 1 EHAF Cc1cnccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587770534 AKSDECPJAVFKER-QFYYESIMSA-N 335.220 3.915 0 1 EHAF Cc1ncsc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587851783 CMAKDYIUFJTKFT-WPPNPWJKSA-N 341.249 3.977 0 1 EHAF CCCC[C@@H](O)CCCCCC[C@H](C=CC(=O)O)N=c1cc[cH-][nH]1 2356296993 PJTWZAYRIXGWTR-IAGOWNOFSA-N 335.468 3.535 0 1 EHAF CO[C@H]1CC(=O)c2c(O)cccc2C12Oc1cccc3cccc(c13)O2 2356720213 UDBVCBRXSQGINU-SFHVURJKSA-N 348.354 3.771 0 1 EHAF Cc1nnc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nc1O 13598098 LEYVNKNHPAZMFW-MRXNPFEDSA-N 337.404 3.602 0 3 EHAF CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3sccc3c2)C1 61903840 JTCYMLHERGRWTO-LJQANCHMSA-N 344.480 3.670 0 3 EHAF O=C1CCC[C@H]2C[C@H](NCc3cccc(F)c3)CC[C@]23CCCN13 205705706 HKWHRPHKJWTPHT-ILZDJORESA-N 330.447 3.629 0 3 EHAF CCS(=O)(=O)Nc1cccc(OCc2nc3ccccc3s2)c1 40505897 LKOUOYVSCGNMKT-UHFFFAOYSA-N 348.449 3.637 0 1 EHAF CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cc(Cl)ccc21 45244909 MYBQVBFITHURNS-MSOLQXFVSA-N 332.806 3.604 0 1 EHAF C/C=C(/C)C(=O)O[C@H](C/C(C)=C/C=C/C(C)=C/CO)[C@H]1OC1(C)C 85544151 XAAKIOMLMOMUSW-HWZNRXPASA-N 334.456 3.873 0 1 EHAF CC(C)n1cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100811758 QSTDJKLFEANKRR-HOTGVXAUSA-N 325.456 3.577 0 1 EHAF O=C(COC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc(F)cc1Cl 102387481 AGLKJFIFZCWIST-UTUOFQBUSA-N 339.794 3.787 0 1 EHAF CC[C@H](O)/C=C/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCCC(=O)O 112974872 RWHZIKMTLJOOEH-LZOBQCLPSA-N 334.456 3.934 0 1 EHAF CC(C)(C)Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O 169352822 HEIPREYWGRKZOO-INIZCTEOSA-N 328.364 3.982 0 1 EHAF O[C@]1(c2ccc(-c3ccccc3F)cc2)CN2CCCC[C@H]2CO1 253665724 DBVDXUCLXQNGAT-FXAWDEMLSA-N 327.399 3.523 0 1 EHAF COc1ccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C(F)(F)F)c1 587096889 DFUJUKWPHGPTAU-UHFFFAOYSA-N 348.284 3.839 0 1 EHAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(Cl)nc3[nH]2)n1 587118727 NTDYSPHEMAMDTM-UHFFFAOYSA-N 341.724 3.752 0 1 EHAF C[C@@]1(c2nc3cc(F)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 587154105 CVOAMRWZWLWBDH-KRWDZBQOSA-N 349.287 3.910 0 1 EHAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587155578 MJERLOYQZKIVAI-OAHLLOKOSA-N 348.399 3.636 0 1 EHAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(O)ncnc3[nH]2)c1 587240438 FAGFXBILCJUNOL-UHFFFAOYSA-N 346.394 3.668 0 1 EHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cccc(Cl)c3[nH]1)C2 587247499 SQKGMQJRECTFMN-GOSISDBHSA-N 327.815 3.568 0 1 EHAF CCCOc1cc2nc(-c3c[nH]ccc3=N)[nH]c2cc1Br 587250279 ZHJJYRCYZXWIHK-UHFFFAOYSA-N 347.216 3.589 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(F)cc4cccnc14)[C@@H](C2)C3=O 587426308 BDNRVDSRYHUANY-MGPUTAFESA-N 335.334 3.871 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cnccn4)c1)[C@@H](C2)C3=O 587437020 XEXTWMXOXWGSKV-KKSFZXQISA-N 344.370 3.641 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)cc1)CC2=O 587482483 UBHCBEIQNDMNFB-SFHVURJKSA-N 340.375 3.838 0 1 EHAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@@H](C)O)CC2=O 587489513 NRTJDYXSABNMNB-SZNDQCEHSA-N 340.419 3.672 0 1 EHAF O=Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587601170 FLMZVSSJSDMZQG-RXVVDRJESA-N 346.338 3.908 0 1 EHAF Cc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587773319 QLDRYVVHOVBMHX-QFYYESIMSA-N 335.220 3.915 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2)N1 587777772 JNSZUYGACOYOPD-QFYYESIMSA-N 335.220 3.781 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCSC2)N1 587859139 VXAPAJNQJHUWTL-YMTOWFKASA-N 330.266 3.845 0 1 EHAF CCCCNC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863163 SKPDOPIZQDKLJA-UHFFFAOYSA-N 341.333 3.935 0 1 EHAF CC(=O)N1CCC[C@@]2(CC1)NCCc1cc(-c3ccccc3)ccc12 962666701 KQQOGCQITKDWMX-QFIPXVFZSA-N 334.463 3.727 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@@]31CCCc2ccc(O)cc21 963040263 VRXVNKMCYBFQHX-JOCHJYFZSA-N 346.430 3.675 0 1 EHAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnnc3)cc2)c1 1857603409 FCHCWQPKXAUAEQ-CQSZACIVSA-N 333.391 3.643 0 1 EHAF COC(=O)C=C(C)CC[C@@H]1C(=O)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]12C 2356519607 JALUKZVNCFBPCF-DFYYWFRZSA-N 336.472 3.668 0 1 EHAF Nc1[nH]c2cc(C(F)(F)F)ccc2c1C(=O)NC1CCCCC1 198613311 OXLCBKDLBSBEAE-UHFFFAOYSA-N 325.334 3.831 0 3 EHAF O=c1c2ccccc2nc(-c2ccccc2O)n1Cc1ccccc1 2214040 ABUCZMTVVNCZSI-UHFFFAOYSA-N 328.371 3.817 0 1 EHAF CS(=O)(=O)c1ccc(C2=C(c3ccc4c(c3)OCO4)CCC2)cc1 3814648 YOSNNHRQINRFKF-UHFFFAOYSA-N 342.416 3.914 0 1 EHAF O=c1cc(N2CCOCC2)oc2c(-c3ccc4[nH]ccc4c3)cccc12 13677247 LXMAOXUZAUDVCG-UHFFFAOYSA-N 346.386 3.778 0 1 EHAF in-vivo O=c1c2ccccc2c(-c2ccccc2)cn1[C@@H]1CN2CCC1CC2 13832779 YPXKDDVTPXDHOJ-OAQYLSRUSA-N 330.431 3.935 0 1 EHAF CC(C)c1cc(C(=O)O)c2c(c1O)O[C@@]1(O)C(C)(C)CCC[C@@]21C 14690067 KLOJCXCHQBUABA-OALUTQOASA-N 334.412 3.763 0 1 EHAF biogenic CCCCC(=O)[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl 26013634 BDFHLRURZGTVEZ-INIZCTEOSA-N 341.238 3.837 0 1 EHAF Fc1ccc(CN2CCc3ccccc3[C@H]2Cn2ccnc2)c(F)c1 28762114 CNTIJZBGWRQNMR-HXUWFJFHSA-N 339.389 3.961 0 1 EHAF CCCSc1ccc2c(c1)nc(NC(=O)OC)n2C(=O)OCC 28766888 GUEOHAVYHPHHAR-UHFFFAOYSA-N 337.401 3.721 0 1 EHAF Cc1nn2c(/C=C3/C(=O)Nc4ccc(Cl)cc43)c(C)nc2s1 40380210 KCYKAXWZSSFVCG-IZZDOVSWSA-N 330.800 3.554 0 1 EHAF CCn1cc(-c2ccc(OC)cc2)c(=O)c2c(OC)cc(OC)cc21 40894699 FCCZKEZAHCTNPT-UHFFFAOYSA-N 339.391 3.714 0 1 EHAF COc1ccc(C(=O)OC/C=C(\C)C[C@@H](O)C=C(C)C)cc1OC 238734756 GNWZNLFPIZUSIZ-SBNBMVPLSA-N 334.412 3.524 0 1 EHAF CN1C[C@](O)(c2ccc(-c3ccc(F)cc3)cc2)O[C@H]2CCCC[C@H]21 253670883 ACXMYGZDRUPYQF-QHAWAJNXSA-N 341.426 3.911 0 1 EHAF O=C1c2ccoc2CC[C@H]1Cc1nc2cccc(Br)c2[nH]1 586908514 RNPUSGJRDLSZGC-VIFPVBQESA-N 345.196 3.906 0 1 EHAF O[C@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)C1CCOCC1 586913084 HXHIOQNUPMYVHP-IBGZPJMESA-N 338.407 3.602 0 1 EHAF Cc1nc(Br)sc1-c1nc2ccc(Cl)nc2[nH]1 587010924 JVFXBUGRQMYHMB-UHFFFAOYSA-N 329.610 3.806 0 1 EHAF CCO[C@H](C)c1nc(C)c(-c2nc3cccc(C(=O)OC)c3[nH]2)s1 587014752 PQKKIXAFCKQNGS-SNVBAGLBSA-N 345.424 3.879 0 1 EHAF COc1cnc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1Cl 587064719 NWHJLFVNCZVJCC-UHFFFAOYSA-N 329.574 3.989 0 1 EHAF CNc1cc(Cl)ccc1-c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587067092 NEBSFNKGGXFGDR-UHFFFAOYSA-N 345.786 3.720 0 1 EHAF Fc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c(F)c1F 587091297 IBTCIBGJTIZMSF-UHFFFAOYSA-N 347.218 3.983 0 1 EHAF CC(C)Oc1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 587170519 BRDHJLFDOOAKAC-UHFFFAOYSA-N 342.370 3.947 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(F)(F)[C@H](F)C(F)(F)F)O2 587383364 WKUGDJMGWMYATB-RYUDHWBXSA-N 341.251 3.837 0 1 EHAF CCCCCCc1ccc(O)c(-c2ccc3c(O)nc(O)nc3n2)c1 587561426 QOOQLMXCDVTNOZ-UHFFFAOYSA-N 339.395 3.931 0 1 EHAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587770361 IVPWMYDEYLSVAC-QLJPJBMISA-N 335.220 3.915 0 1 EHAF CC(C)O[C@@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587810267 KCGGNHWMQXTZFM-CKUKBARFSA-N 342.252 3.905 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(OC)c1 587870602 NDKGAYSYCKQNKG-UHFFFAOYSA-N 340.354 3.785 0 1 EHAF Fc1ccc2c(c1)-c1cc(n(-c3ccc(Cn4cncn4)cc3)n1)O2 587874839 CVTMNLPIDVJCLG-UHFFFAOYSA-N 333.326 3.424 0 1 EHAF Fc1cccc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)c1 653673714 QTRJLHQDBLNAJK-UHFFFAOYSA-N 333.322 3.931 0 1 EHAF CCN(CC)CCC[C@]1(C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962628335 HFBUGAXVWKPEPA-IIBYNOLFSA-N 348.531 3.917 0 1 EHAF Cc1c(O)ccc2c1[C@@H](c1cccc(-c3ccco3)c1)N[C@H](C(=O)O)C2 963521391 BWDWPXOGSYQONC-OXJNMPFZSA-N 349.386 3.649 0 1 EHAF COc1cc(C(C)C)c(C(=O)CS(=O)(=O)c2ccccc2)cc1C 1857566657 IASRHJHATPDLTN-UHFFFAOYSA-N 346.448 3.784 0 1 EHAF CCN(CC)c1ccc(NC(=O)c2csc3nnsc23)cc1 1857606934 CMFWFDPMQRFIQK-UHFFFAOYSA-N 332.454 3.851 0 1 EHAF Cc1nnc2n1-c1ccc(N)cc1[C@@H](Nc1ccc(Cl)cc1)CC2 1857618179 QJLQVINRJDSYPJ-INIZCTEOSA-N 339.830 3.911 0 1 EHAF C[C@H](COc1ccccc1)N1CCC(CO)(Cc2ccccc2)CC1 12836820 UEZZARYJQUJBOY-LJQANCHMSA-N 339.479 3.771 0 3 EHAF Cc1ccc(-n2ccnc2)cc1[C@H](O)c1c(C)cc(C(=O)O)cc1C 5116280 QSAHHFJAWATNBG-IBGZPJMESA-N 336.391 3.577 0 1 EHAF C[C@H]1CCC[C@@H](NC(=O)COC(=O)CCSc2ccccc2)[C@@H]1C 7140933 SDPZJIKOBPYHLQ-ZMSDIMECSA-N 349.496 3.653 0 1 EHAF CC1(C)CCc2c(cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O1 13383655 NIZDRFCYACILLC-UHFFFAOYSA-N 338.359 3.975 0 1 EHAF biogenic Fc1ccc([C@@H](Oc2ccc3c(c2)OCO3)[C@H]2CCCNC2)cc1 13530781 SLRMTXCNWZOPSK-IFXJQAMLSA-N 329.371 3.674 0 1 EHAF Ic1ccc2c(c1)[C@H]1CN[C@@H](C2)c2ccccc21 29566906 CYVJWGKINGZSRF-HOTGVXAUSA-N 347.199 3.624 0 1 EHAF CCCN(CCC)CCc1c(Cl)cc(O)c2[nH]c(=O)sc12 34072615 YNXHEGXICHZWJT-UHFFFAOYSA-N 328.865 3.613 0 1 EHAF CC1=C[C@@]2(O[C@@H](COc3ccccc3)C1)C(=O)N(C)c1ccccc12 66123888 CMXOKAIKBGBGQL-UTKZUKDTSA-N 335.403 3.673 0 1 EHAF Cc1cnn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)c1 72114347 ZKPUOIMTKQGENL-IAGOWNOFSA-N 336.266 3.820 0 1 EHAF Cc1ccc(-c2cnc(N)c(N[C@H](C)c3ccccc3)n2)cc1C(=O)O 96284816 HDOMNNGFFVOCRA-CYBMUJFWSA-N 348.406 3.906 0 1 EHAF O=C(Nc1nccs1)[C@@H]1C(=O)N2c3ccccc3Oc3cccc1c32 100658536 CVSIFFANCIQNKO-CQSZACIVSA-N 349.371 3.649 0 1 EHAF Cc1cc(O[C@@H](C)C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)ccc1Cl 101221087 ICKBYTJVAIXITK-IHRRRGAJSA-N 337.847 3.584 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C[C@@]43C)[C@@H]1CC=C2n1ccnn1 169212673 AQXJZPBPRCLKNO-WSVRAQSBSA-N 327.472 3.742 0 1 EHAF Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CC[C@H](O)[C@H]1C2=O 197330599 GSJCLFPVFIAKQC-BQYODTMVSA-N 348.439 3.828 0 1 EHAF NC(=O)c1cc2c(-c3ccccc3OC(F)(F)F)cncc2s1 220554285 ATGGFLKAXKOFES-UHFFFAOYSA-N 338.310 3.961 0 1 EHAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCCn1sc2ccccc2c1=O 251965294 XVVPLYUIZYHCGQ-IJEWVQPXSA-N 346.496 3.784 0 1 EHAF CCc1c(C)sc2nc(=S)n(CCCn3cncc3C)c(O)c12 261084078 CFVUQLUMCGHQFG-UHFFFAOYSA-N 348.497 3.999 0 1 EHAF Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/CNO)cc1 299822667 AXNRBGTYILEHJU-SNAWJCMRSA-N 335.451 3.801 0 1 EHAF CCC(=O)NC[C@@H]1CCc2ccc(OC)cc2N1Cc1ccccc1 473114665 OJGMZWDPMCTRRL-SFHVURJKSA-N 338.451 3.543 0 1 EHAF Oc1ccc(C2(c3nc4ccc5ncccc5c4[nH]3)CCOCC2)cc1 586913839 QPDSXTQWCZIJAJ-UHFFFAOYSA-N 345.402 3.913 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cncn1CC3 586988853 XVWMULAXXXTEBA-UHFFFAOYSA-N 339.354 3.571 0 1 EHAF c1coc(-c2nc(Cc3nc4cc5c(cc4[nH]3)OCO5)cs2)c1 587017213 JHJNZRBZUKPPGW-UHFFFAOYSA-N 325.349 3.599 0 1 EHAF COc1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cn1 587070377 SRGILCWEVHCVFK-SNVBAGLBSA-N 329.787 3.996 0 1 EHAF COc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Cl 587158954 ZFYQHSGEEINOEE-BMLIUANNSA-N 331.778 3.706 0 1 EHAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587169540 YSLXQDSWAXQGTP-LLVKDONJSA-N 327.359 3.544 0 1 EHAF OCCc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587229253 CQNGOSCSVKBURH-UHFFFAOYSA-N 344.418 3.772 0 1 EHAF Cc1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)nc1 587392318 YQHFXQFCOMUFDC-GOSISDBHSA-N 333.391 3.778 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1nccc(Cl)c1C)[C@@H](C2)C3=O 587422058 OZOUVDXTCBISME-KPZWWZAWSA-N 329.783 3.715 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3nccnc13)CC2=O 587487881 YGZBDVVYJHDUKL-GOSISDBHSA-N 334.375 3.994 0 1 EHAF C[C@H]1Nc2ccccc2C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527074 SWAQJCSFLNDFEI-MCMMXHMISA-N 347.414 3.966 0 1 EHAF C[C@@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620054 WQOIUTDCRMLPJH-KBXCAEBGSA-N 339.372 3.726 0 1 EHAF Cc1nc2ccccc2n1CC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874698 IJCKANQORPVMHH-UHFFFAOYSA-N 348.337 3.793 0 1 EHAF Cc1cc(C(=O)N2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)cc(C)c1F 653775562 VPLIBABCAJUJLD-ZWKOTPCHSA-N 345.389 3.920 0 1 EHAF Clc1ccc2c(c1)c1cc(Cl)ccc1n2CCc1nn[nH]n1 653899229 RSZNMJQGAJYWKW-UHFFFAOYSA-N 332.194 3.857 0 1 EHAF O=C(O)CCc1ccc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)cc1 963099820 AXVQLVKAVIZPSK-DYESRHJHSA-N 339.410 3.953 0 1 EHAF COC(=O)[C@@]12C=NC[C@]3(CCC1)[C@@H]2CC[C@H]1[C@@H](C)c2ccoc2C[C@H]13 2356393504 LLVMHQOQVUMUSA-RVHFAYLFSA-N 341.451 3.996 0 1 EHAF C=CC(C)=CC=C[C@]1(C)C[C@@H](OC(=O)C(C)=CC)[C@H](O)C(C)(C)O1 2356541279 IJRHIVJLUNPRSS-FUHIMQAGSA-N 334.456 3.871 0 1 EHAF Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2cscn2)C1 11999729 IEYMSYIQHLHOEA-GFCCVEGCSA-N 348.855 3.840 0 3 EHAF CCCCS(=O)(=O)N1CCCc2nc(-c3ccccc3)ccc21 199724907 PVNCOKOPICJWRX-UHFFFAOYSA-N 330.453 3.631 0 3 EHAF CCn1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)cc1=O 23842 IOTOIOKJPPIIQO-UHFFFAOYSA-N 336.391 3.614 0 1 EHAF CC(C)c1c(O)c2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O 6616913 SBCPNCSEUMZPQJ-UHFFFAOYSA-N 325.408 3.822 0 1 EHAF COc1ccc(Cn2cnc3ncc(-c4ccc(F)cc4)nc32)cc1 6744627 MKJNRQGIMKMQPL-UHFFFAOYSA-N 334.354 3.689 0 1 EHAF Cn1cc(-c2n[nH]c(-c3ccc(Cl)cc3)nc2=O)c2ccccc21 8560138 DCHLORIPYBPNHK-UHFFFAOYSA-N 336.782 3.644 0 1 EHAF COc1cccc2c1c1c3c(cc4c1n2C(=O)CC4(C)C)CNCC3 13558726 JGORYXHQZAIVNW-UHFFFAOYSA-N 334.419 3.770 0 1 EHAF C[C@H]1CCCC[C@H]1n1cnc2c(sc3nccc(N(C)C)c32)c1=O 13676128 DJZFVYFKKWLWNN-NWDGAFQWSA-N 342.468 3.823 0 1 EHAF O=C([C@H]1CS[C@H](c2cccnc2)N1)n1ccc2ccc(Cl)cc21 26152445 AZRSJQNXHUUSTF-GDBMZVCRSA-N 343.839 3.734 0 1 EHAF COc1cc([C@H]2CCc3cc4c(cc32)OCO4)cc(OC)c1OC 26488000 HRWKYNGZDJNHKG-CYBMUJFWSA-N 328.364 3.519 0 1 EHAF Clc1ccc2c(NCCCNCc3ccncc3)ccnc2c1 38332041 QGYJBIVWSOGTRH-UHFFFAOYSA-N 326.831 3.875 0 1 EHAF Clc1ccccc1O[C@@H]1CCCc2ccc(N3CCNCC3)nc21 45354596 HNSZXWWGMZAANA-QGZVFWFLSA-N 343.858 3.601 0 1 EHAF Cc1noc2c1[C@@H](c1ccc(Br)cc1)SCC(=O)N2 73220697 NUODFLXPXBUAKD-GFCCVEGCSA-N 339.214 3.520 0 1 EHAF COc1c2oc(=O)ccc2cc2c(-c3ccc(C(=O)O)cc3)coc12 95596753 WGWFKCSPUBRRTL-UHFFFAOYSA-N 336.299 3.913 0 1 EHAF c1cc(N2CCC(N3CCCCC3)CC2)ccc1CCN1CCCC1 103298417 HSDYLYWXILVWLP-UHFFFAOYSA-N 341.543 3.780 0 1 EHAF Cc1ccc2nc3c(O)n(CCCN4CCCC[C@@H]4C)cnc-3c2c1 103903992 SKNKQUVNSOZFFL-HNNXBMFYSA-N 338.455 3.815 0 1 EHAF CC(C)(C)c1ccc(-c2cnc(N)nc2)c(F)c1Oc1ncccn1 224553945 GEMAKSZETXNGED-UHFFFAOYSA-N 339.374 3.745 0 1 EHAF COc1cc(/C=C/CO)ccc1OC/C=C(\C)C/C=C/C(C)(C)O 238736781 BQDUSRYKMRRRCR-HYPDOXGUSA-N 332.440 3.743 0 1 EHAF CCS(=O)(=O)c1cccc(Cc2nc3cc(C)c(Cl)cc3[nH]2)c1 586922312 LGHOHILNZDTLAC-UHFFFAOYSA-N 348.855 3.909 0 1 EHAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Cl)cc2[nH]1)C(C)C 586932885 KPERZBWTNJECKQ-CQSZACIVSA-N 343.880 3.633 0 1 EHAF Cc1cnc(Cl)c2[nH]c([C@@H]3CSCN3C(=O)C(C)(C)C)nc12 587042151 IVVWDACEOCOOBA-VIFPVBQESA-N 338.864 3.540 0 1 EHAF COc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(Cl)n1 587083558 AKWWZXLVOTZOSQ-UHFFFAOYSA-N 328.681 3.701 0 1 EHAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc3c(c2[nH]1)CCCC3 587092786 AQUIKBRFSXLLQH-VIFPVBQESA-N 325.334 3.571 0 1 EHAF Cc1cnc(Cl)c2[nH]c([C@]3(C)C=C(c4ccccc4F)NO3)nc12 587155628 JGXGFBLKJZRHFB-KRWDZBQOSA-N 344.777 3.850 0 1 EHAF CC1(C)OC=C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587359499 YSCPNGPXBNYHRC-XLIONFOSSA-N 340.350 3.952 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3ccccc3)CC1)O2 587396175 QDPLIWDGPFWMQJ-UHFFFAOYSA-N 336.435 3.577 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(CCc1ccc(F)cc1)[C@@H](C2)C3=O 587427935 KCMVSVRCJMYCSK-OXJNMPFZSA-N 326.367 3.973 0 1 EHAF Cc1c([C@@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C 587503513 HCPGNFDOEISENM-LJQANCHMSA-N 346.377 3.733 0 1 EHAF O=C1C[C@](CO)(c2ccc(F)cc2F)Oc2c1ccc1c2CCCC1 587506053 OFPWXHULMGGJQL-FQEVSTJZSA-N 344.357 3.697 0 1 EHAF O=C1C[C@@H](c2cnc(N3CCCC3)nc2)Oc2c1ccc1c2CCCC1 587514208 MNGOGURIZGMGSQ-IBGZPJMESA-N 349.434 3.662 0 1 EHAF COC(=O)c1[nH]cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587528458 ZIYSHQQBDNYGBB-KRWDZBQOSA-N 339.391 3.695 0 1 EHAF CCC1(CC)OC[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1 587533737 UVGJIHPKCYGCKA-ZWKOTPCHSA-N 330.424 3.831 0 1 EHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 587784426 GYJVFEQPRPCIOY-QWRGUYRKSA-N 345.761 3.694 0 1 EHAF COc1ccc(-c2ccc(-c3nc4ncncc4[nH]3)cc2)cc1OC 587928500 HLUCDJHVGJLFEU-UHFFFAOYSA-N 332.363 3.704 0 1 EHAF CC(C)(CC(=O)O)Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587955796 PBMDISJRLULQDF-UHFFFAOYSA-N 336.391 3.837 0 1 EHAF COc1cccc([C@@]2(C(C)(C)C)NCCc3c2c(C(C)C)nn3C)c1 962911055 OFISQFGRXNCEIU-OAQYLSRUSA-N 341.499 3.988 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CNC(=O)OC(C)(C)C)N1 962954972 RJQVLOMCXRZSGB-ZUOKHONESA-N 343.471 3.832 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)[C@@H](C(=O)OC)C(F)(F)F 963228666 MKIPRXHWSKNXAW-SRCQZFHVSA-N 343.389 3.910 0 1 EHAF COc1ccc(Cl)c2c1CCN[C@H]2c1c(C)nc2scc(C)n12 963257100 HBYNHAMRPJWSTA-OAHLLOKOSA-N 347.871 3.910 0 1 EHAF COc1ccc2c(c1)[C@@]1(C)Cc3cnc(C)nc3C(C)(C)[C@H]1CC2=O 1857553678 CXJAPYLDMYBMEQ-WIYYLYMNSA-N 336.435 3.788 0 1 EHAF CCn1cncc1-c1c[nH]c2ccc(I)cc12 1857644086 JLCILCCDUVFIRF-UHFFFAOYSA-N 337.164 3.656 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@@H]([C@]32C)[C@]1(C)CCC1=CCOC1=O 2356529136 VAGWFVOITDPYDG-VLFYUQFDSA-N 330.424 3.564 0 1 EHAF COC(=O)[C@]1(O)CCC[C@@]2(C)c3cc4occc4c(C)c3CC[C@H]12 2356531043 OUXSWZRXEDQYNX-IHPCNDPISA-N 328.408 3.649 0 1 EHAF Cn1nccc1-c1coc2c(C(=O)NCc3ccccc3)cccc12 61930857 KAYBTYUVNBVFMS-UHFFFAOYSA-N 331.375 3.763 0 3 EHAF COCc1[nH]nc2c1[C@@H](c1ccc(C)cc1)N(Cc1ccccc1)C2=O 199729164 CMUYQGOVJOQQEJ-HXUWFJFHSA-N 347.418 3.610 0 3 EHAF O=C1/C(=C/c2ccc3c(c2)OCO3)S[C@H]2C=Nc3ccccc3N12 5893370 CWCNTBSFXFZORJ-KZRVJCNKSA-N 336.372 3.578 0 1 EHAF C[C@@H]1CCC[C@@H](NC(=O)CCCn2sc3ccccc3c2=O)[C@@H]1C 6800189 XVVPLYUIZYHCGQ-IIAWOOMASA-N 346.496 3.784 0 1 EHAF COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)c(OC)c1 14257015 UCQAIEZCTUNGEA-UHFFFAOYSA-N 343.404 3.658 0 1 EHAF COc1cc(C[C@@H](C)[C@H](C)[C@@H](O)c2ccc3c(c2)OCO3)ccc1O 14646538 ROSZLESPLNBVCZ-MTJIALIYSA-N 344.407 3.678 0 1 EHAF CC[C@@H]1CN(C(=O)c2ccco2)CC[C@@H]1CC(=O)Nc1ccccc1 25427230 OBVBNLAYESNFSI-HZPDHXFCSA-N 340.423 3.797 0 1 EHAF biogenic C[C@@H](Oc1cccc2ccccc12)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28107202 SYHSXECRAFMSGC-NAZJXLNTSA-N 339.435 3.776 0 1 EHAF Cc1c([C@@H](C)c2c(Cl)cccc2Cl)nc(N(C)C)[nH]c1=O 28866667 MROOZAQNWNYRKA-QMMMGPOBSA-N 326.227 3.603 0 1 EHAF CCOc1cccc2cc(C(=O)N3CCC[C@H]3CN3CCCC3)oc12 36188017 KZNWUENOIFPOLA-INIZCTEOSA-N 342.439 3.532 0 1 EHAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccco2)O[C@H]1c1cccnc1 36242220 PGLLRZHYBMXBPA-SGAFSXBUSA-N 343.379 3.889 0 1 EHAF O=C(NCC1(O)CCCCCC1)c1cc(-c2cc[nH]n2)ccc1Cl 43018961 RYMGBXRKZKAPEA-UHFFFAOYSA-N 347.846 3.545 0 1 EHAF C[C@H](N[C@H](C(=O)O)[C@H](C)C(=O)c1ccc(Cl)cc1)c1ccccc1 84602708 OBJFJILBNZTBRI-DCGLDWPTSA-N 345.826 3.963 0 1 EHAF COc1cc(OC)cc(-c2nc(-c3ccc(O)cc3O)cs2)c1 95590789 IWJSKEHWBATNQN-UHFFFAOYSA-N 329.377 3.906 0 1 EHAF C[C@@H](Nc1nc(-c2ccccc2C(=O)O)cnc1N)c1ccccc1 96284822 OSYVNAQATFTZLQ-GFCCVEGCSA-N 334.379 3.597 0 1 EHAF O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cc[nH]n1 96914431 LPOLTLICTGWYFR-UHFFFAOYSA-N 339.742 3.519 0 1 EHAF O=c1cccc2n1C[C@@H]1C[C@@H]2CN(Cc2cccc(Cl)c2Cl)C1 104320208 QEEIYTFWZSCOSS-TZMCWYRMSA-N 349.261 3.774 0 1 EHAF O=C1NC(=S)[C@@H](c2ccc(Cl)cc2)N1c1ccc2[nH]cnc2c1 113894481 XPTXSMOWEGMJQC-CQSZACIVSA-N 342.811 3.815 0 1 EHAF Cc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ncc23)cc1F 144604896 SQOCMDWATFLNNW-UHFFFAOYSA-N 335.342 3.963 0 1 EHAF N=c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c[nH]1 586987565 OLVUNMZOPUUFTM-UHFFFAOYSA-N 339.354 3.626 0 1 EHAF C[C@@H](O)c1ncc(-c2nc3cc(Br)cc(F)c3[nH]2)s1 587022263 PIUPIVIVCNTFKZ-RXMQYKEDSA-N 342.193 3.641 0 1 EHAF CCOC(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587034894 ILRGTCDPJBQHMS-HNNXBMFYSA-N 342.420 3.658 0 1 EHAF FC(F)(F)c1ncc2nc([C@H]3SCCc4sccc43)nc-2[nH]1 587037347 UEJNKHHLWIHXAU-VIFPVBQESA-N 342.371 3.764 0 1 EHAF Oc1c(Br)ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 587090763 XHTNQURACQVZQH-QMMMGPOBSA-N 347.493 3.954 0 1 EHAF COc1cncc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587094010 YZFUAFCUFXCBFF-UHFFFAOYSA-N 340.330 3.683 0 1 EHAF CC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)COC1 587355240 CTIOBAMYPSGRNU-PXNSSMCTSA-N 342.366 3.685 0 1 EHAF Cc1cccc(-c2n[nH]cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587395728 GYABTUHCHDUROI-SFHVURJKSA-N 333.391 3.982 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(C=COc3cc(O)ccc31)CC2=O 587486317 KMCAFFJMHRIXOJ-FQEVSTJZSA-N 338.359 3.817 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2F)N1 587737191 CZVHEHAJLRBFSF-XLKFXECMSA-N 339.183 3.746 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2)N1 587771723 CMJUGTVXZJEMAG-MGPLVRAMSA-N 335.220 3.781 0 1 EHAF COc1ccc([C@@H]2C[C@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1OC 1772592556 LWSUMCKFRZPDBU-RJEZFDHBSA-N 336.403 3.589 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)C[C@@H]3CO[C@H](O)[C@H]3[C@@]2(C)C1(C)C 2356666789 POPAGGXDYJJYSP-DQMJEKSESA-N 336.472 3.682 0 1 EHAF COc1ccccc1C1=NO[C@@](C)(c2nnc(Cc3ccccc3)o2)C1 12726023 AVCUXYHCQUSXJA-HXUWFJFHSA-N 349.390 3.709 0 3 EHAF COc1ccc(Nc2cc3c(cn2)ncn3Cc2ccccc2)cn1 74388708 FZCPWCKLLMRSSU-UHFFFAOYSA-N 331.379 3.627 0 3 EHAF COc1cc(OC)c(/C=C/c2cc3ccccc3c[n+]2C)c(OC)c1 6200224 VDSQWFMVQVDSEL-MDZDMXLPSA-N 336.411 3.861 0 1 EHAF Cc1ccccc1CNc1ccc(=O)n(-c2ccccc2Cl)n1 14961538 CJBZRUKFWKFMPF-UHFFFAOYSA-N 325.799 3.806 0 1 EHAF C[C@H]1CC[C@@H](C)N1CCN[C@H]1c2ccccc2OCc2ncccc21 27869936 QHSLZSOMQYGRSK-VWKPWSFCSA-N 337.467 3.526 0 1 EHAF CC(C)CCc1cc(NCC(C)C)nc(S(=O)(=O)CC(C)C)n1 40379293 QRLVLVQSHWPUKP-UHFFFAOYSA-N 341.521 3.563 0 1 EHAF CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1N1CCCCC1 40877310 GGKCYWCCDYOUES-RDJZCZTQSA-N 349.525 3.541 0 1 EHAF COc1ccc(-c2cc(=O)c3cc(CN(C)C)ccc3o2)cc1OC 45284523 WFIXMGUEHPVKCK-UHFFFAOYSA-N 339.391 3.539 0 1 EHAF C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 72110125 LGUXLVJQUKRZBO-QKKBWIMNSA-N 337.419 3.505 0 1 EHAF CCO[C@H]1C[C@@H]1C(=O)Nc1cc2ccc(-c3cnccc3C)cc2cn1 144423141 MMVLDNJVKIMPTF-HKUYNNGSSA-N 347.418 3.969 0 1 EHAF CCC(C)(C)c1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1 586880029 BGLDYVVMKJLXPO-UHFFFAOYSA-N 343.452 3.565 0 1 EHAF Brc1c[nH]c2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc-2n1 586885460 UZLFEHFAPPPDHR-WSHGPQCASA-N 333.233 3.535 0 1 EHAF Cc1cnc(Cl)c2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc12 586913212 OKJDMNHKBYRGAM-UHFFFAOYSA-N 343.814 3.722 0 1 EHAF Clc1ncc2nc(-c3cc4ccc(Br)cn4c3)nc-2[nH]1 587006497 OQYCNAKWKAMBBY-UHFFFAOYSA-N 348.591 3.640 0 1 EHAF Cc1cc(Br)cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c12 587022650 UDJFJKBTLONKKB-SSDOTTSWSA-N 338.230 3.811 0 1 EHAF O=C1CSc2ccc(-c3nc4ccc5ncccc5c4[nH]3)cc2N1 587043231 JJWIOAVDLLWYMU-UHFFFAOYSA-N 332.388 3.822 0 1 EHAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Cl)cnc2[nH]1 587109556 YIQZQXFLBGMEPD-UHFFFAOYSA-N 341.676 3.995 0 1 EHAF Cc1cccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587196732 BECHUVZESGZUMW-AWEZNQCLSA-N 345.443 3.787 0 1 EHAF NC(=O)Nc1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1 587243082 DRPJJJVGPRYXKE-UHFFFAOYSA-N 338.264 3.878 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(C)n1)O2 587375570 DQNIANJXZGWKCQ-HNNXBMFYSA-N 347.212 3.750 0 1 EHAF CCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587443115 UBICZQYKUDKVJE-FOIQADDNSA-N 340.375 3.678 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccn(CC(C)C)n1)CC2=O 587475313 MASXCLZZJPRJAE-SFHVURJKSA-N 328.412 3.904 0 1 EHAF COc1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587623427 GJAGLTVIQOYZPA-UHFFFAOYSA-N 343.184 3.877 0 1 EHAF O=C(CCCc1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587652323 PBZVWYNXHHBTNP-UHFFFAOYSA-N 326.783 3.713 0 1 EHAF Cc1ccncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587776041 VTQVUEZELAHKQS-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(O)CCCC2)N1 587822327 MXZRJEZMIKCDBF-ZUZCIYMTSA-N 342.252 3.643 0 1 EHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(=O)O)cc2[nH]1 587926620 KAQNTSNXHGPVOS-ZDUSSCGKSA-N 340.379 3.820 0 1 EHAF Oc1cc(-c2ccccc2F)c(O)n1-c1ccnc(Br)c1 587941383 UNTJTJKUKSGKAI-UHFFFAOYSA-N 349.159 3.852 0 1 EHAF C[C@]1([C@H]2CCCOC2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962718157 RLPBEKOOGMDHIM-KHYOSLBOSA-N 335.488 3.831 0 1 EHAF COc1cc(C(=O)N[C@@H](C)c2ccccc2F)ccc1-c1cn[nH]c1 1772645903 WHGWETKOANDIKB-LBPRGKRZSA-N 339.370 3.715 0 1 EHAF CC[C@@H](C)NC(=O)C=CC=CC[C@H]1CCc2cc3c(cc2O1)OCO3 2356723875 VYDGWIUGIRBBJD-ZBFHGGJFSA-N 343.423 3.526 0 1 EHAF CC1(C)Cc2nc3nc(=S)n(-c4ccccc4)c(O)c3cc2CO1 18058014 ADFGGYDKSKMJJF-UHFFFAOYSA-N 339.420 3.707 0 3 EHAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(CO)[C@H]3CC[C@@]21C 2159792 FIHWBGCIKMXLBI-HQZQWKOLSA-N 330.468 3.696 0 1 EHAF biogenic COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C=C2 13553837 HXPAWDWDGLCLFF-OAHLLOKOSA-N 328.364 3.868 0 1 EHAF COC1=CC(c2ccc[nH]2)=N/C1=C/c1[nH]c(-c2ccc[nH]2)cc1OC 14589596 QEVDCWRFEOZGOP-RQZCQDPDSA-N 334.379 3.721 0 1 EHAF CNC(=O)C1(c2ccccc2)CCN(C2CCC(C(C)C)CC2)CC1 14977317 MBUHOVJAFHBTTO-UHFFFAOYSA-N 342.527 3.981 0 1 EHAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2NCCN(C)C 27992842 LQYDIRQLOZHHPI-UHFFFAOYSA-N 332.448 3.736 0 1 EHAF CC1(C)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)ccc2O1 28652571 WQCFPYAJTXOZMT-KRWDZBQOSA-N 338.359 3.989 0 1 EHAF biogenic CC(C)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1 28822049 MXTUGQFJAIVHPO-UHFFFAOYSA-N 334.423 3.897 0 1 EHAF CCCCC(=O)c1ccc2c(c1)oc(=O)n2CCCN1CCCCC1 39007898 KKDZVUSVCNHGRX-UHFFFAOYSA-N 344.455 3.843 0 1 EHAF CC(C)(C)c1ccc(-c2nc3c(ccc4nc(N)nc(N)c43)[nH]2)cc1 45168884 QCRSWSGZWZTMST-UHFFFAOYSA-N 332.411 3.635 0 1 EHAF O=C(NCC1CCNCC1)c1sccc1-c1cccc(Cl)c1 49046960 SZORFEIPPFPQHP-UHFFFAOYSA-N 334.872 3.798 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(SC(C)C)cc2)C[C@H]2CC[C@H]1N2C 101281175 ICUSSYNHQDIHBC-DDBAPUKQSA-N 333.497 3.926 0 1 EHAF CC[C@@]1(C(=O)NCCc2ccc(F)cc2F)[C@H](C)C1(Cl)Cl 103296525 ZYVQQTXXYQSUNB-XPTSAGLGSA-N 336.209 3.844 0 1 EHAF CCO[C@@H](CC(=O)O)c1ccc(OC2Cc3ccccc3C2)cc1 116391596 JCBBINPYFCXCNK-IBGZPJMESA-N 326.392 3.785 0 1 EHAF COc1ccc2c(c1)Cc1c-2n[nH]c1Nc1ccc(OC)c(OC)c1 140564641 LXOOZAROYURUJU-UHFFFAOYSA-N 337.379 3.750 0 1 EHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(C)(C)C)cc2[nH]1 587094124 KLARAXABXLPKGY-SECBINFHSA-N 327.350 3.990 0 1 EHAF FC(F)(F)Oc1cccc(CSCc2nc3cncnc3[nH]2)c1 587121593 DBTFOCUNYNDRDN-UHFFFAOYSA-N 340.330 3.685 0 1 EHAF COc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 587134244 KXPDTERXVZQSFJ-RQOWECAXSA-N 341.239 3.832 0 1 EHAF CCCc1nc(-c2nc3c(C)cncc3[nH]2)nn1-c1ccccc1F 587155458 LKCIMUMLZMABCB-UHFFFAOYSA-N 336.374 3.606 0 1 EHAF Cc1c(-c2cc3c4c(cccc4n2)CC3)nnn1Cc1ccccc1 587210502 CZSADJUSNVTIKS-UHFFFAOYSA-N 326.403 3.949 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ncccn3)cc1)O2 587394684 YSWBULLYNCBYGL-GOSISDBHSA-N 347.374 3.866 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4cc(OC)ccc14)[C@@H](C2)C3=O 587436663 ACJCFNGAJRBAQP-BTYIYWSLSA-N 349.386 3.848 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnn([C@H](C)OCC)c1)CC2=O 587479085 YGUQZKNXWONHRH-SGTLLEGYSA-N 344.411 3.803 0 1 EHAF C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587218 MVXSQJRKCNQBSP-YLJYHZDGSA-N 333.343 3.664 0 1 EHAF Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587613421 ORWYXCMPIOPIRJ-MAUKXSAKSA-N 339.372 3.860 0 1 EHAF Cc1cc(Cl)cc2c(C[C@H](N)C(=O)O)c(-c3ccccc3)[nH]c12 587627374 TZUAWWWLLDUIME-HNNXBMFYSA-N 328.799 3.751 0 1 EHAF Cc1noc(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587789691 AOVVKHZOASHPKJ-NZFNHWASSA-N 339.208 3.817 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccns2)N1 587859930 YZJMSWIWMGXYDH-WPPNPWJKSA-N 327.222 3.668 0 1 EHAF COc1cc([C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)ccc1F 962631150 JCGUBCGWKBQMDT-FKIZINRSSA-N 345.414 3.817 0 1 EHAF CCCn1c(-c2cccc(O)c2)nc2[nH]c(C3CCCC3)nc2c1=O 1772648607 GSMFZAKFNRRSTR-UHFFFAOYSA-N 338.411 3.560 0 1 EHAF Cc1ccc(-c2cc(CN3CCOCC3)nn2C2CCCCC2)cn1 1857591997 RXKFNELEIHVVHJ-UHFFFAOYSA-N 340.471 3.591 0 1 EHAF CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2cccc(C)n2)ccn1 1857770591 XPASUDUUTHMDBC-UHFFFAOYSA-N 343.390 3.954 0 1 EHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)[C@H](O)C[C@]2(C)C(C)=C[C@H](O)C[C@@H]21 2356456069 QKDIWLCDONOATB-ZHRPLEGYSA-N 336.472 3.538 0 1 EHAF CO[C@@H]1CC(=O)[C@@H]2[C@@]34CC[C@@H]5CCCC[C@@H]5[C@]3(C)[C@@](C)(CC4)[C@]12O 2356729284 UOMOARKIWGVFQS-CJLCJZSBSA-N 332.484 3.728 0 1 EHAF Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCC(C)CC4)sc3c2c1 269906 BNAVBKUENUZIFG-UHFFFAOYSA-N 340.448 3.923 0 1 EHAF CC1(C)C=Cc2c(O)ccc([C@@H]3COc4cc(O)ccc4C3=O)c2O1 3871110 NUHWTADXTBESTA-HNNXBMFYSA-N 338.359 3.641 0 1 EHAF biogenic,in-vitro CN(Cc1ccco1)C(=O)c1noc2c1CSc1ccccc1-2 6817421 DWKDRVWISFUQMV-UHFFFAOYSA-N 326.377 3.813 0 1 EHAF CC(C)c1cc(C(=O)O)c2c(c1O)O[C@]1(O)C(C)(C)CCC[C@@]21C 14690068 KLOJCXCHQBUABA-RBUKOAKNSA-N 334.412 3.763 0 1 EHAF biogenic CCCCC[C@H](O)C1=C[C@@H]2c3c(ccc(O)c3CO)C[C@H]2C(C)(C)O1 14857003 QVNSKPMXIWUANR-LESCRADOSA-N 346.467 3.774 0 1 EHAF biogenic CC(C)c1cc2c(c(O)c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@@H]1C[C@H]2O 14920427 XMKKZBYHMFTMOJ-CKNLXJGOSA-N 348.439 3.807 0 1 EHAF biogenic CC(=O)OC1=C2C=C[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@H]34)[C@@]2(C)CCC1=O 27877151 KZSDAOLDPDWQDM-COWMIZEISA-N 342.435 3.754 0 1 EHAF COc1cc2c(cc1OC)-c1ncc3c(OC)ccc(OC)c3c1C2 28467517 WSAXMNQNVKOCIW-UHFFFAOYSA-N 337.375 3.840 0 1 EHAF CCCn1c(-c2ccc(-n3cncn3)cc2)nc2c(F)cc(F)cc21 43066867 XHJXJXFSVKRRIX-UHFFFAOYSA-N 339.349 3.972 0 1 EHAF CN1CC[C@H](N2CCCc3cc(NC(=N)c4cccs4)ccc32)C1 73196010 XGNLBYKIAXNPTG-INIZCTEOSA-N 340.496 3.642 0 1 EHAF CCCSc1ncccc1C(=O)N1CCC[C@@H]1c1ccncc1 95576667 VPMVCCJNDYXJJG-MRXNPFEDSA-N 327.453 3.956 0 1 EHAF O=C(CCCc1ccccc1)Nc1nc2ccsc2c(=O)s1 96905580 PTIAQKMBSAVDRM-UHFFFAOYSA-N 330.434 3.679 0 1 EHAF C[C@H]1C[C@H](C)CN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)C1 96928450 IOVQFLUXSBRREX-RYUDHWBXSA-N 340.406 3.718 0 1 EHAF CCc1nnc2n1N=C(c1ccc(Cl)cc1)[C@@H](OC(C)C)S2 103174254 PDGRRRXCLWDOIU-AWEZNQCLSA-N 336.848 3.603 0 1 EHAF CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(O)cc1 103666536 ICGLBWDAWFIOEK-FXBHHXAOSA-N 335.363 3.853 0 1 EHAF COc1cccc(O)c1-c1cc(=O)c2c(O)c(C)c(C)c(C)c2o1 238752205 GCMQWYARKXTZAQ-UHFFFAOYSA-N 326.348 3.805 0 1 EHAF COc1cc2ccc(=O)oc2cc1OC/C=C(\C)C/C=C\C(C)(C)O 238787638 RZHGIBONLJZHIW-UJMFUDEJSA-N 344.407 3.844 0 1 EHAF CCN1CCC[C@@H]1CNc1cc(C)nc2c(-c3ccccc3)c(C)nn12 473165212 AFUJIFUZGGJAOI-GOSISDBHSA-N 349.482 3.909 0 1 EHAF O=C1CCc2cc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3cc2N1 586890983 RNUJHUGMEVEFMP-YCRPNKLZSA-N 329.403 3.819 0 1 EHAF N=C(N)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894826 WCVMJCHZPVYSFO-UHFFFAOYSA-N 330.476 3.893 0 1 EHAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cncc(Cl)c2[nH]1 587041566 XWAYDGYPKSVVDS-JTQLQIEISA-N 340.836 3.594 0 1 EHAF N[C@@H]1CC[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C1 587246127 DGQJZTQEIJOZQA-POYBYMJQSA-N 348.166 3.939 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)ccc1Br)O2 587378329 UPEJFXXIHQNWJW-OAHLLOKOSA-N 348.196 3.752 0 1 EHAF CCOC(=O)C[C@]1(CC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587398254 DDSYWNZDBQJFNP-IBGZPJMESA-N 333.428 3.671 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)o1)O2 587399656 MGTCZINGPXUEPD-QGZVFWFLSA-N 326.396 3.867 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ncc1O)CC2=O 587463009 UFBFIWFPLDSOCA-HNNXBMFYSA-N 333.771 3.805 0 1 EHAF CC(C)=C[C@@H]1[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1(C)C 587652503 SWLQJIMWBGQUDD-HUUCEWRRSA-N 330.815 3.929 0 1 EHAF Cc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587852783 IWZWMTJBPWQLMZ-WJWGPLDTSA-N 341.249 3.977 0 1 EHAF COc1cccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c12 587951432 UYJCTHANHUXOMJ-RCRDTURJSA-N 340.423 3.725 0 1 EHAF COc1ccc2c(c1OC)[C@@H](c1cc3ncccc3o1)N(C)[C@H](C)C2 962631165 QNQOMDJGFMEAJR-CWTRNNRKSA-N 338.407 3.811 0 1 EHAF C[C@]1(c2cccc(C(=O)O)c2)c2c(F)cccc2C[C@H]2CCCN21 963103530 LMRUKHXAYHPFHR-UZLBHIALSA-N 325.383 3.808 0 1 EHAF COc1ccc([C@@]2(c3ccsc3)NCCc3ccc(O)cc32)cc1 963329085 KVKWPQLVYTWRQR-FQEVSTJZSA-N 337.444 3.900 0 1 EHAF Oc1ccc2c(c1)[C@@H](c1c[nH]nc1-c1cc3ccccc3o1)NCC2 963353911 UXWOYRINZUGJBN-IBGZPJMESA-N 331.375 3.764 0 1 EHAF C=C1OC(=O)C=C1Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1 1772615640 PQHMEQIIRLWQAZ-FMIVXFBMSA-N 331.371 3.878 0 1 EHAF Cc1nc[nH]c1CCCCNC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C1(C)C 1857642943 QHSUSPBVSNKVPY-QZTJIDSGSA-N 343.446 3.736 0 1 EHAF CC1=CCC(=O)[C@H](C)CC(=O)[C@H]([C@H](C)C(=O)O)[C@@H]2[C@H](CC1)C2(C)C 2356477961 OCVJELOLAGLKGF-AVKRCAIGSA-N 334.456 3.890 0 1 EHAF C[C@@]1(C(=O)NCc2ccccc2)Cc2c(-c3ccccc3)ccnc2O1 61896532 ZCQXLQRMHBGICP-QFIPXVFZSA-N 344.414 3.759 0 3 EHAF C[C@H]1O[C@H](CCc2cccc(Cl)c2)Cc2[nH]c(=S)[nH]c(=O)c21 95602314 QJGGWLCEZDOFTP-BXKDBHETSA-N 336.844 3.721 0 3 EHAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc(O)cc3)nc21 5841880 AYCCBDPQSLELEH-UHFFFAOYSA-N 346.390 3.597 0 1 EHAF O=C([C@H](O)[C@@H](O)c1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 6010082 VLCUXHGLDBUBFO-FAVSCLIXSA-N 334.843 3.520 0 1 EHAF C[C@]12CC[C@@H]3c4ccc(O)c(CCCO)c4CC[C@H]3[C@@H]1CC[C@@H]2O 13766360 KGJDINVSTHNVTB-WDMKGZBDSA-N 330.468 3.534 0 1 EHAF CC(C)(C)N1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21 14967277 CPGUJERDXYYCGN-UHFFFAOYSA-N 326.318 3.544 0 1 EHAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1N(C)C 28474880 XNQAOXKACAZMDY-FPLPWBNLSA-N 343.423 3.957 0 1 EHAF CCOC(=O)c1cc(-c2ccccc2NC(=O)c2ccccc2)on1 45314680 BMVUEHURTRDNJQ-UHFFFAOYSA-N 336.347 3.771 0 1 EHAF CCCO[C@@H]1Sc2nnc(CC)n2N=C1c1ccc(Cl)cc1 103216656 RSCLPZTZGWPLPJ-CQSZACIVSA-N 336.848 3.605 0 1 EHAF CN1C[C@H]2CC[C@@H](OCc3ccccc3)[C@H]1CN2Cc1ccccc1 253665391 JJHDWXSGTNAYDL-YPAWHYETSA-N 336.479 3.550 0 1 EHAF Clc1cc(Cl)cc(-n2cc(Cn3cnc4ccccc43)nn2)c1 473160618 YQFHQNSGZHSIQD-UHFFFAOYSA-N 344.205 3.972 0 1 EHAF COc1cc(OC)c2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc2c1 586904752 ZILKQDBJWHEHOM-UHFFFAOYSA-N 326.352 3.668 0 1 EHAF C[C@@H](SCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586960854 CTOIJDGBNFYUCK-LLVKDONJSA-N 339.420 3.888 0 1 EHAF COc1ccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2n1 587026160 BAQDMFKHHCFBBY-UHFFFAOYSA-N 326.381 3.582 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)CN1CCC[C@H](C)C1)O2 587393379 HLNIOFDYHKNLFY-SCLBCKFNSA-N 330.472 3.669 0 1 EHAF Oc1nc(O)c2cc(Cc3ccccc3)c(Cc3ccccc3)nc2n1 587560751 FPAUSYPKVOLFEW-UHFFFAOYSA-N 343.386 3.618 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)nc1 587570290 ODQYWZXUKUIDCQ-VQIMIIECSA-N 337.306 3.629 0 1 EHAF C/C(=C\N(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587741522 OBGZERARCKASBA-LVZDVLHWSA-N 327.241 3.629 0 1 EHAF COc1ccc2cc([C@@H](C)c3nc4cccc(C(N)=O)c4[nH]3)ccc2c1 587934646 LMEXTWQKUPSTDB-GFCCVEGCSA-N 345.402 3.975 0 1 EHAF CCOc1ccc(OCC)n1-c1c(N)cccc1Br 587937091 NYBGYGICUUSWES-UHFFFAOYSA-N 325.206 3.619 0 1 EHAF NC(=O)c1cccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)c1 653715997 KZTJFUBSOOXLCS-UHFFFAOYSA-N 335.384 3.851 0 1 EHAF CCC[C@]1(c2c[nH]c(C(=O)O)c2)NCCc2c(OC)ccc(Cl)c21 963269480 JRZMQPJPMRCYPH-GOSISDBHSA-N 348.830 3.564 0 1 EHAF CC(C)(C)OC(=O)c1ccc([C@@H]2NCCc3ccc(O)cc32)cc1 963344157 ZNYGXBDAJJXRGY-SFHVURJKSA-N 325.408 3.583 0 1 EHAF O=S1(=O)C=Cc2cccc(Nc3c(F)c(F)c(F)c(F)c3F)c21 1772605853 BKPMMZUMUHHUFD-UHFFFAOYSA-N 347.264 3.884 0 1 EHAF COc1ccc(Cn2cc(COc3ccc(F)cc3)ccc2=O)cc1 1772613341 SRINYEYSWKNRFV-UHFFFAOYSA-N 339.366 3.623 0 1 EHAF CCCC[C@H]1OC(=O)c2cc(-n3nc(C(F)(F)F)cc3O)ccc21 1772627313 FOVGNCPUPALUNV-GFCCVEGCSA-N 340.301 3.998 0 1 EHAF CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@H](C(=O)OC)C1)[C@H]32 2356397622 OUVARUOEIMIVLD-CUWPLCDZSA-N 336.435 3.625 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)Cc3occ(C)c3C[C@H]2[C@]1(C)O 2356672582 PWBVCFWIHKMIKC-LFGUQSLTSA-N 332.440 3.732 0 1 EHAF CCOc1cccc(OCC)c2c(C)[n+](C[C@@H]3CCCO3)c(C)c1-2 198839 IOZMBKCMBOCANU-INIZCTEOSA-N 330.448 3.672 0 3 EHAF CCc1nc2cc(NC(=O)[C@]3(C)CCCN(C(C)C)C3)ccc2o1 61898287 UYROHSDCNOTQLK-LJQANCHMSA-N 329.444 3.839 0 3 EHAF Cc1ccc2c(c1)-n1c(nc3ccccc3c1=O)[C@H](CC(C)C)NC2=O 61949346 AKDIRRFKKJPXHV-KRWDZBQOSA-N 347.418 3.525 0 3 EHAF O=C(NC1CCCCCC1)[C@H]1c2ccccc2C(=O)N2CCCC[C@H]12 6769450 YVILSBOZZPXKGI-MOPGFXCFSA-N 340.467 3.618 0 1 EHAF COc1ccc([C@@H]2CCc3cc(OC)c(OC)c(OC)c32)cc1O 27416496 QYUAUFKQRRPTIK-ZDUSSCGKSA-N 330.380 3.505 0 1 EHAF in-vivo NC(=O)c1ccc2nc(-c3ccc(Oc4cccnc4)cc3)[nH]c2c1 38441755 YZBXZQMJLCGDHP-UHFFFAOYSA-N 330.347 3.516 0 1 EHAF COc1ccc2nc([C@@H]3CCN(CCCc4ccccc4)C3)[nH]c2c1 51076782 RYQOVKWELRHSDR-QGZVFWFLSA-N 335.451 3.994 0 1 EHAF biogenic Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC1CCCCC1 58590484 JHBRHRSPHWUPGK-UHFFFAOYSA-N 348.878 3.749 0 1 EHAF CC(=O)c1cc2c(C)cc(=O)oc2cc1OCCN(C(C)C)C(C)C 71281159 MIDMXIRPISUPBS-UHFFFAOYSA-N 345.439 3.802 0 1 EHAF N=C(N)c1ccc(-c2ccc3cc(-c4ccc(C(=N)N)o4)[nH]c3c2)cc1 71294740 JSKOMBFGAGLBMD-UHFFFAOYSA-N 343.390 3.663 0 1 EHAF COC(=O)C1=C(c2ccc(-c3nccs3)cc2)C[C@@H]2CC[C@H]1O2 84602060 OBDQYTHBVATJAH-DZGCQCFKSA-N 327.405 3.688 0 1 EHAF CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)C[C@@H]1C(C)(C)C 144731627 OUDHLZMJARLHAV-GOSISDBHSA-N 333.435 3.768 0 1 EHAF COC(=O)[C@@H]1[C@@H](c2cccc(-c3ccco3)c2)C[C@@H]2CC[C@@H]1N2C 169369611 ITEKLFIKJBIAEP-MJQMVNBJSA-N 325.408 3.686 0 1 EHAF CNc1cccc(OCc2ccc(I)cc2)c1 209447817 PIWCUJBEORCPGH-UHFFFAOYSA-N 339.176 3.912 0 1 EHAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc3c(cc2[nH]1)OCO3 587026941 KJUAYJYMWLIXHU-UHFFFAOYSA-N 339.376 3.907 0 1 EHAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(CO)cc2[nH]1 587075593 JCFZWPZFBXWLPN-UHFFFAOYSA-N 338.798 3.870 0 1 EHAF CCOC(=O)CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106211 JLSXWRQIONQEBB-UHFFFAOYSA-N 331.371 3.942 0 1 EHAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587156726 YDXXCZUPMIVDLA-MRXNPFEDSA-N 341.386 3.934 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccnc(C(F)(F)F)c1)[C@@H](C2)C3=O 587423628 UKFMJWQBFZUIMA-MEDUHNTESA-N 335.281 3.598 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cc1N(C)C)[C@@H](C2)C3=O 587427779 VILYWFAAMUWBEZ-MGPUTAFESA-N 341.382 3.563 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC)(c1cnn(CC)c1)CC2=O 587474741 HMKMUYHSXGEUSE-IBGZPJMESA-N 328.412 3.832 0 1 EHAF Cc1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587589534 XSWARFNQHCBJIS-KXBFYZLASA-N 337.331 3.700 0 1 EHAF COc1ccoc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614578 CTQALTOHCWPING-HNAYVOBHSA-N 338.315 3.697 0 1 EHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)ncc(C)c3[nH]2)cc1 587784530 IFUOSVFJRGAQPJ-OLZOCXBDSA-N 341.798 3.863 0 1 EHAF CC(C)OC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587791213 JFUSFSDHHOCHKT-MEBBXXQBSA-N 330.241 3.763 0 1 EHAF CC[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813056 MRZAEHMLDAYPJD-DUZHOBMZSA-N 342.252 3.953 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H]2CCOC2)N1 587835286 OXEJOZOETIXPAS-NRUUGDAUSA-N 328.225 3.590 0 1 EHAF COc1ccc2nccc(OCC(=O)Nc3cc(C)cc(C)c3)c2c1 1772648374 NJUREIWZHFTTGS-UHFFFAOYSA-N 336.391 3.878 0 1 EHAF O=C(NCCc1ccccc1F)c1ccc(-c2cccc(F)c2)cn1 1857608484 BYMXPMSKHMUPTG-UHFFFAOYSA-N 338.357 3.999 0 1 EHAF COc1ccc(Cc2ncc(Cc3ccc(OC)cc3)c(C)n2)cc1 2356435507 DXMDSFKCKVSFDH-UHFFFAOYSA-N 334.419 3.984 0 1 EHAF CC(=O)CCCCCCCCCCCC[C@@H]1CC[C@@H](O)[C@@H](CO)N1 2356470701 DIMNETMAIUHJFR-VAMGGRTRSA-N 341.536 3.730 0 1 EHAF Cc1cc2nc(NC(=O)[C@]3(C)CCCN(C(C)C)C3)[nH]c2cc1C 61895888 YEGSZRGRCOPKIB-LJQANCHMSA-N 328.460 3.629 0 3 EHAF COc1cccc(-c2cnc3c(NC=O)cc(-c4ccoc4)cn23)c1 61897616 ZKOTZJIZHVYARQ-UHFFFAOYSA-N 333.347 3.838 0 3 EHAF COc1ccccc1-c1c[nH]c([C@@H](O)c2cc(C)c(OC)c(C)c2)n1 61905873 HRCQPWJDBRBRCA-SFHVURJKSA-N 338.407 3.792 0 3 EHAF COc1cc(O)c2c(c1[C@@H]1CCCN1)O[C@@H](c1ccc(O)cc1)CC2 5998934 LEVIHKALYBTAAA-DOTOQJQBSA-N 341.407 3.597 0 1 EHAF biogenic CN(C)CCCN1C(S)=Nc2ccccc2[C@H]1c1ccccc1 13553541 MPIPDNRBGAZLIO-GOSISDBHSA-N 325.481 3.961 0 1 EHAF CN(C)CC[C@@H](NC(=O)NCc1ccccc1)c1ccc(Cl)cc1 13684862 GWUNVBOCLNYZGJ-GOSISDBHSA-N 345.874 3.832 0 1 EHAF CC(C)=C[C@H](O)C/C(C)=C/COc1cc2oc(=O)ccc2cc1O 15253760 RAMCPIBPYJZTNE-NNSJBKGDSA-N 330.380 3.541 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ccccn2)/C1=C(\O)OCC(C)C 27558809 BFPFNLZJTIHVSQ-JEFCNZTNSA-N 331.372 3.590 0 1 EHAF CCCc1c(C)nc(-c2cccc(C(F)(F)F)c2)n2nc(N)nc12 28242681 ZCTDUBUQWMLKSQ-UHFFFAOYSA-N 335.333 3.653 0 1 EHAF O=C1CS[C@@H](C23CC4CC(CC(C4)C2)C3)N1CCN1CCCCC1 28713224 CESNWDLEXHYWHC-DRZUXFPHSA-N 348.556 3.590 0 1 EHAF O=C(O)CCNC(=O)c1cccc(OCc2ccc3ccccc3c2)c1 29223743 RCBWGPNOHDHXHM-UHFFFAOYSA-N 349.386 3.623 0 1 EHAF COc1cc2c(cc1OC)[C@@H]1C=N[C@H](C2)c2cc(OC)c(OC)cc21 31896292 KLXPNUUNKBVTII-JKSUJKDBSA-N 339.391 3.535 0 1 EHAF CC(C)(C)n1ncc(OCc2ccc3ncccc3c2)c(Cl)c1=O 40954444 XXUXRBNVJPJIBG-UHFFFAOYSA-N 343.814 3.779 0 1 EHAF Oc1ccc([C@H]2Nc3ccccc3-c3ncnc4[nH]cc2c34)cc1F 45336885 OSIJBHLNHYZDAT-QGZVFWFLSA-N 332.338 3.985 0 1 EHAF Cc1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1 66259021 PYUSGJXCELFNSH-UHFFFAOYSA-N 342.512 3.968 0 1 EHAF Cc1cc(Nc2ccc(SC(F)(F)F)cc2)n2ncnc2n1 71294796 ROYIMTINMNZLOM-UHFFFAOYSA-N 325.319 3.788 0 1 EHAF CNCCc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)cc1 72177003 NSRVFPDCHVTNBV-UHFFFAOYSA-N 344.422 3.525 0 1 EHAF Cc1csc(N(C)C(=O)c2ccc(COc3ccccc3)o2)n1 78944417 PYMKGBQHSRXTGB-UHFFFAOYSA-N 328.393 3.900 0 1 EHAF Cc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 95553010 STUBOTPNCNDBOA-ROUUACIJSA-N 331.419 3.609 0 1 EHAF in-vitro Cc1c(C(=O)O)oc2cccc(O[C@H](C(=O)O)c3ccccc3)c12 98082981 SYCSYPPEAVXWKB-INIZCTEOSA-N 326.304 3.644 0 1 EHAF c1coc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)c1 205602710 VFSCGHSYINAFFR-AWEZNQCLSA-N 326.425 3.533 0 1 EHAF Clc1ccc(C2=C[C@@H](c3nc4cc(Cl)ncc4[nH]3)ON2)cc1 587077763 ZOEUFQJWOJGHLB-ZDUSSCGKSA-N 333.178 3.882 0 1 EHAF O=C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347927 BONPXMYMBNYEBY-SFHVURJKSA-N 340.350 3.772 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(C=O)c1)CC2=O 587489533 NSVAQWKFYQDHQB-SFHVURJKSA-N 326.348 3.569 0 1 EHAF CCC[C@]1([C@H](C)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587523642 LOIIANVKKJPSMI-ZUOKHONESA-N 330.424 3.879 0 1 EHAF CO[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600283 NPRRBEPDILFIPH-DUXSXAKTSA-N 340.375 3.682 0 1 EHAF COc1cc2c(cc1OC)[C@](C)(c1ccc(C=O)cc1)N(C)[C@H](C)C2 962577424 YOGNWIBIRASCKA-SZNDQCEHSA-N 339.435 3.656 0 1 EHAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(-c2cnc[nH]2)cc1 1857592231 BTAWNAMBKSVPRY-UHFFFAOYSA-N 344.418 3.770 0 1 EHAF COc1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1OC 1857645482 CWIUUOXDSNTUDA-UHFFFAOYSA-N 327.409 3.994 0 1 EHAF C[C@H]1CN(c2snc3ccc(-c4ccccc4)nc23)C[C@@H](C)O1 1911585582 SLHYIFRDCDQOCE-BETUJISGSA-N 325.437 3.972 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)[C@@H]3[C@H](O)CC[C@@H]([C@]23C)[C@@]1(C)CCc1ccoc1 2356487584 FRKSRKZPPJMBNA-RTHKWLDVSA-N 332.440 3.577 0 1 EHAF CCc1ccc(NC(=O)N(CCN(C)C)[C@H](C)c2cccnc2)cc1 262133 ZOOFQSUBSINCNH-MRXNPFEDSA-N 340.471 3.801 0 3 EHAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H](O)[C@H]21 13383026 TZGCTXUTNDNTTE-DJSBCALVSA-N 348.483 3.901 0 1 EHAF biogenic COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)c(C(C)(C)O)cc3CC[C@@H]12 13480869 SNKGMHCLEHVZFB-UIFIKXQLSA-N 346.467 3.803 0 1 EHAF CCCCCNC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1 26277758 AXVXRWGMHZDDEO-UHFFFAOYSA-N 347.271 3.574 0 1 EHAF CSc1ccc(C(=O)c2c(Cl)cc3n2CC[C@@H]3C(=O)O)cc1 27893172 LOSVOZXNZJGQFC-NSHDSACASA-N 335.812 3.666 0 1 EHAF CC[C@@H](c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 28885782 FBOHFXXSWQUWPF-FQEVSTJZSA-N 349.478 3.566 0 1 EHAF O=C(Nc1ccccc1NC(=O)c1ccc(O)cc1)c1ccc(O)cc1 29404567 AJKDXRGCWFSRHR-UHFFFAOYSA-N 348.358 3.602 0 1 EHAF c1cnc2cc(-c3cn(C4C5CC6CC(C5)CC4C6)nn3)ccc2n1 73224933 BQIUJAGWSXAMHA-UHFFFAOYSA-N 331.423 3.886 0 1 EHAF Cc1cnc(N2CCCN(C)CC2)nc1N[C@@H]1C[C@H](C)CC(C)(C)C1 82202627 NABRROGRUYXMTP-DOTOQJQBSA-N 345.535 3.554 0 1 EHAF CC(C)Cc1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231704 HYWPZZZGGWIZLQ-PBHICJAKSA-N 340.471 3.676 0 1 EHAF Cc1ccc(C(=O)N=[S@](C)(=O)Cc2sc(Cl)nc2C)cc1 103173707 OKXLVSBEJIGDBJ-OAQYLSRUSA-N 342.873 3.852 0 1 EHAF O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1COc2ncccc21 146646381 QCFWXNSMCXLWSR-CQSZACIVSA-N 337.206 3.571 0 1 EHAF CSc1ccc([C@@H]2NC(=O)N=C(C)[C@H]2C(=O)OC2CCCC2)cc1 169719577 HYLLFLYEXAQCCC-CVEARBPZSA-N 346.452 3.736 0 1 EHAF C[C@H](CCO)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](O)C[C@@]1(C)O 238737768 QSMLNKZXKOEDHG-KUIXFMFUSA-N 326.521 3.750 0 1 EHAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC(=O)[C@@]2(C)O 238746853 QYIZGTJBQCOHKV-FMXRJBFQSA-N 334.500 3.710 0 1 EHAF Cc1cc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc2cc1Cl 586951387 ZOZYTPUJTPHEGM-UHFFFAOYSA-N 335.816 3.563 0 1 EHAF COc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 587075777 KGIQSLNWVSOQCG-HNNXBMFYSA-N 342.830 3.957 0 1 EHAF CC(=O)Nc1cccc(Cc2nc3ccc4nc(C)ccc4c3[nH]2)c1 587241895 CZLWKFQVZZQXGN-UHFFFAOYSA-N 330.391 3.969 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccc3F)nc1)O2 587385868 QUDDRGSTVMLFLK-SFHVURJKSA-N 349.365 3.880 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccccc1C)O2 587386816 LFIGGVNWYNGWAG-FQEVSTJZSA-N 338.407 3.638 0 1 EHAF CC[C@]1(c2ccc(Cl)c(N)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587424161 XRDPDMMRSOFTDG-BFUOFWGJSA-N 343.810 3.984 0 1 EHAF CCO[C@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCCC2 587445029 YTCCTEUKTMBTGF-LDBYXDLTSA-N 342.435 3.941 0 1 EHAF COCc1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534683 DPVUFZPRXKJURI-MRXNPFEDSA-N 329.421 3.875 0 1 EHAF Cn1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576322 IQYMMDRMFWHNNG-XLIONFOSSA-N 335.359 3.608 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccccc1 587602972 LXLAENWIIPMAEJ-OALUTQOASA-N 332.355 3.965 0 1 EHAF Cc1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587776372 XAKIPCYVELMTLO-JKYUHCHBSA-N 339.208 3.817 0 1 EHAF CCO[C@@H]1C[C@@]2(NCCc3cc(C)c(F)cc32)[C@@H]1Oc1ccccc1 962148262 SKBDVBUOAJATLN-NJYVYQBISA-N 341.426 3.732 0 1 EHAF C[C@H](NC(=O)OC(C)(C)C)[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963108420 PCNRITQCQQFICE-ZSOFBXJNSA-N 348.462 3.975 0 1 EHAF Nc1c(-c2nnc(S)o2)sc2ncc(-c3ccsc3)cc12 1772645795 MJWLCXWVFUXXNZ-UHFFFAOYSA-N 332.435 3.946 0 1 EHAF Cc1noc(C)c1-c1ccc2c(c1)O[C@@H](Cc1ccccc1)C(=O)N2 1857633471 ODAIHKBKJWCLFR-SFHVURJKSA-N 334.375 3.901 0 1 EHAF Cc1cnc(C)n1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651138 GVDWOGJDNUIXJE-FQEVSTJZSA-N 346.430 3.802 0 1 EHAF Cc1ccc(CNC(=O)[C@H]2Cc3c(sc4ccccc34)CN2)cc1 13833801 KGJSTGPNSVVNQU-QGZVFWFLSA-N 336.460 3.540 0 1 EHAF Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(N[C@@H]2CCCOC2)n1 19113501 OBSWIZKOZQXGQT-MRXNPFEDSA-N 349.438 3.537 0 1 EHAF O[C@H](c1ccccc1)c1ccc(OCCO[C@@H]2CCCCO2)cc1 26390648 SNTZEXZITQEAJL-WOJBJXKFSA-N 328.408 3.690 0 1 EHAF O=S(=O)(c1ccc(OCc2ccccc2)cc1)c1ccccc1O 34242077 OAHRHEHKTRXORG-UHFFFAOYSA-N 340.400 3.804 0 1 EHAF Cc1cc2c(s1)c1cnn(Cc3ccc(Cl)cc3)c(=O)c1n2C 36380369 ILHYLKIQDKOBBN-UHFFFAOYSA-N 343.839 3.960 0 1 EHAF COc1ccc(NCc2nc3ccc(Br)cc3[nH]2)cc1 49088977 JSWOTRSRLYGDOW-UHFFFAOYSA-N 332.201 3.946 0 1 EHAF NCC1(CCNC(=O)Nc2ccc3cnccc3c2)CCCCC1 98208424 NYAKHMNXWJGORW-UHFFFAOYSA-N 326.444 3.656 0 1 EHAF in-vitro Cc1cccc(NC(=O)c2ccc(Br)cc2C(=O)O)c1 103233776 JHTIKNRRWRFZAF-UHFFFAOYSA-N 334.169 3.708 0 1 EHAF FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12 116903418 FMTZJHHPYOHWNQ-UHFFFAOYSA-N 348.288 3.817 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@@H]2[C@@H]1[C@@]1(C)CCC[C@]2(C)C(=O)O1 238756406 KREPOBCVKLZNPY-RHJPJSDASA-N 332.440 3.953 0 1 EHAF CC(C)(C)c1ccc(C(=O)CN2C3=NCCN3c3ccccc32)cc1 299828299 IVUBTSXFTTVOCM-UHFFFAOYSA-N 333.435 3.863 0 1 EHAF CCn1cc(Br)c(Cc2nc3ccc(F)c(C)c3[nH]2)n1 587001413 XSVUQXLFEGNKGI-UHFFFAOYSA-N 337.196 3.580 0 1 EHAF COc1cnc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1Cl 587065224 VZIOCWWHJQVUPA-UHFFFAOYSA-N 329.574 3.989 0 1 EHAF COc1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(Cl)n1 587084297 XDPGPHAOMXLTTQ-UHFFFAOYSA-N 329.574 3.989 0 1 EHAF Cc1c(F)cc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1F 587133238 QDZKDYFTSMHKJC-UHFFFAOYSA-N 342.393 3.568 0 1 EHAF COc1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2c1 587151461 ZTYTYJWQZLXNDW-UHFFFAOYSA-N 340.333 3.917 0 1 EHAF Cc1cc(C)c2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 587193841 HGCZVAMLKWSBRS-AWEZNQCLSA-N 346.475 3.697 0 1 EHAF CCOC(=O)C[C@]1(CCC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587399562 KTYSEZVYUZGBQZ-IBGZPJMESA-N 333.428 3.671 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1nccnc1Cl)CC2=O 587463011 UHRLMUQQPACOLM-KRWDZBQOSA-N 332.787 3.669 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cn1 587571617 QWAZBZWHWAXRBJ-VQIMIIECSA-N 337.306 3.629 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(F)c2)N1 587732450 MMUGYUFYDRCUCI-VXJOIVPMSA-N 339.183 3.746 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)nc2)N1 587739246 UVTBKKLZZNLAFU-GLEZIHRCSA-N 339.183 3.746 0 1 EHAF Cc1coc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587774924 OJHJWZSUYDLIQZ-WPPNPWJKSA-N 325.181 3.508 0 1 EHAF Cc1cc(Cn2nc(C(=O)O)cc2C)n2nc(-c3ccccc3)cc2c1 1772581199 OCJUAXMHOFCFIC-UHFFFAOYSA-N 346.390 3.561 0 1 EHAF C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccccc2)cs1 1857555255 QTXKMZWSNNBMRC-UHFFFAOYSA-N 325.393 3.826 0 1 EHAF CSc1nc2cc(C(=O)Nc3cccc(C)n3)c(Cl)cc2[nH]1 1857762339 YIZMNZXYHJDZAX-UHFFFAOYSA-N 332.816 3.894 0 1 EHAF CC(=O)[C@@H]1C[C@H](O)[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356616155 QQVGVJQPAJHUGT-XOXHNCAPSA-N 334.500 3.566 0 1 EHAF Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1CCCCCC1 8581925 XNODQMMIMXSTMX-UHFFFAOYSA-N 341.390 3.816 0 1 EHAF COc1cccc(-c2cc(=O)c3cc(OC)c(OC)cc3s2)c1 13604213 BUPZGEMTXATAKI-UHFFFAOYSA-N 328.389 3.954 0 1 EHAF CN1CCc2cc(Cl)c3[nH]nnc3c2[C@H]2c3ccccc3CC[C@@H]21 13608523 CMHKHJYNAXWHIA-RDJZCZTQSA-N 338.842 3.546 0 1 EHAF Cc1c(C)c2c(c(C)c1N)C[C@](C)(C[S@](=O)c1ccccc1)O2 13652123 MKKHLYVTXBQPAB-AUSIDOKSSA-N 329.465 3.695 0 1 EHAF CCC(=O)N(c1cccc(Br)c1)[C@@H]1CCC[C@H]1N(C)C 28242290 JJWFDAVLZOUOOZ-HUUCEWRRSA-N 339.277 3.675 0 1 EHAF COc1ccc2c(c1)[C@@H]1CN(C(=O)OCc3ccccc3)CC[C@@H]1N2 28572602 FBIJKDXLMZAAFW-HKUYNNGSSA-N 338.407 3.615 0 1 EHAF COc1ccc(Oc2c(Cl)cnn(-c3cccc(C)c3)c2=O)cc1 66166566 DMMBVVPSIDEESL-UHFFFAOYSA-N 342.782 3.995 0 1 EHAF CCCCc1nc(Cl)c([C@@H]2CC(c3ccco3)=NN2C(C)=O)n1C 72108009 CZHLRBVLEPZXCV-ZDUSSCGKSA-N 348.834 3.707 0 1 EHAF COc1cc(C(=O)c2cc3ccc(F)cc3n2C)cc(OC)c1OC 72108088 SSORYUMSNRHWST-UHFFFAOYSA-N 343.354 3.574 0 1 EHAF O=c1ccc2cnc(Nc3ccccc3)nc2n1[C@H]1C[C@@H]2CC[C@@H]1C2 100372630 QAWADIWIAIIMDV-CPUCHLNUSA-N 332.407 3.896 0 1 EHAF Cc1cccc(NC(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1 101857596 DTFOSUNUSLBGHY-QZTJIDSGSA-N 339.439 3.905 0 1 EHAF Nc1ccc(-c2ccc3c(c2)CNC[C@@H]3c2ccc(Cl)cc2)nn1 114514838 YMSGTOASAZCQKN-QGZVFWFLSA-N 336.826 3.614 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(O)ccc3CC[C@@H]21 117625282 DQDGTZBSHYYYNX-UZLBHIALSA-N 347.418 3.603 0 1 EHAF CN1C[C@](O)(c2ccc(-c3ccc(F)cc3)cc2)O[C@@H]2CCCC[C@@H]21 169291094 ACXMYGZDRUPYQF-PWRODBHTSA-N 341.426 3.911 0 1 EHAF Cc1c(Br)ccc2nc(-c3cnc([C@@H](C)O)s3)[nH]c12 587021547 IVKBDZNFHXRYFZ-SSDOTTSWSA-N 338.230 3.811 0 1 EHAF COc1nccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587060440 GCPUOUVNBWPXED-UHFFFAOYSA-N 326.743 3.942 0 1 EHAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc3cn[nH]c3cc2[nH]1 587108548 AMDNIVWXRNEGRQ-UHFFFAOYSA-N 346.268 3.823 0 1 EHAF Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)ncc3[nH]1)O2 587174688 RFJWWLUOBOYVSY-GFCCVEGCSA-N 334.148 3.536 0 1 EHAF C[C@@]1(c2ncc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348395 RMLPJAKRBDDSNT-VQIMIIECSA-N 338.338 3.529 0 1 EHAF Oc1nc(O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)nc2n1 587369296 ZHILPQXCQZBLOQ-UHFFFAOYSA-N 341.676 3.775 0 1 EHAF C[C@@H](C(=O)O)n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512327 MWQVOCLGDRKPHX-KPZWWZAWSA-N 339.391 3.719 0 1 EHAF O=C1CC2(CCC3(CC2)OCCO3)Oc2c1ccc1c2CCCC1 587535927 PJXABAZAPOXUOA-UHFFFAOYSA-N 328.408 3.587 0 1 EHAF COc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(OC)c1O 587783871 BDTAYBHQQFMGON-UHFFFAOYSA-N 340.166 3.655 0 1 EHAF Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587852671 MRQDSXZIILBVOK-WJWGPLDTSA-N 341.249 3.977 0 1 EHAF COC(=O)c1cccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c12 587927607 SODRYPYFNCCKIA-UHFFFAOYSA-N 336.391 3.746 0 1 EHAF COc1ccc([C@@H](c2ccccc2)c2nc3cc[nH]c(=N)c3[nH]2)cc1 587935308 IAQMGKSRXQMWBO-QGZVFWFLSA-N 330.391 3.559 0 1 EHAF CC(C)[C@@H]1CC[C@]2(C1)N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962965648 LOQNNGJIGCKRAY-IJPZITHUSA-N 343.801 3.869 0 1 EHAF Nc1nc2nc3ccc(O)cc3c-2c(NCc2cccc(Cl)c2)[nH]1 1772573661 DMXWQKZZEVIECP-UHFFFAOYSA-N 339.786 3.616 0 1 EHAF CCOC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](O)[C@H]21 1857758840 ZZKPMJAVTVNSGB-KRZXBLKESA-N 342.435 3.977 0 1 EHAF CO[C@@H]1CC=C(C)C[C@H]2O[C@@H]3NC(=O)C1=C3[C@H]2[C@@H](C)CCC=C(C)C 2356581301 REDHHRSNTYUBNT-SZDLEDHQSA-N 345.483 3.892 0 1 EHAF CC[C@H]1C(=O)CC[C@H](CC)CCC[C@](O)(CC)CCCNC1=O 2356800668 RCXYDLLEOUUOAD-JTDSTZFVSA-N 325.493 3.610 0 1 EHAF CCCCCC[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)O 59948280 SBCBFEMLWQXISN-GOSISDBHSA-N 327.424 3.922 0 3 EHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccc(O)cc1 235214 UYYHOACMPRLMRA-PQMNFKMDSA-N 345.395 3.594 0 1 EHAF CCCCc1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2[nH]c1=O 2500077 URNPCBGMGVKOPO-RHSMWYFYSA-N 340.471 3.820 0 1 EHAF O=C1Nc2c(Cc3ccccc3)ccnc2N(C2CC2)c2ncccc21 5934300 UFLJTRYOECPADS-UHFFFAOYSA-N 342.402 3.934 0 1 EHAF C[C@]12CC[C@H](NC(N)=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 13346630 RQUJDLYPEZVGRT-VNXBCOTQSA-N 330.472 3.555 0 1 EHAF biogenic CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccccc21 13678301 XHHZLTVIJPHZOG-UHFFFAOYSA-N 334.419 3.732 0 1 EHAF C[C@](O)(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(F)(F)F 26376104 OYWCBECXQBCLFQ-HNNXBMFYSA-N 325.286 3.731 0 1 EHAF COc1cc(NCCCCCNC2CCOCC2)c2ncccc2c1 26485477 NNGUEMYRVOLSHE-UHFFFAOYSA-N 343.471 3.594 0 1 EHAF CC[C@H](Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O 27524493 YELSJKOYVBXPDG-SFHVURJKSA-N 341.407 3.727 0 1 EHAF C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@H]1C[C@@](C)([C@@H]3CO3)C[C@@H]3O[C@@]312 27645615 BAVAPCQGJJCZCO-VJDBPIJISA-N 334.456 3.630 0 1 EHAF CN1CCc2cccc3c2[C@@H]1Cc1cc(Br)cc(O)c1-3 27706044 KHTGEMLTFUDITR-AWEZNQCLSA-N 330.225 3.907 0 1 EHAF O=C(Cc1ccccc1)NC1CCN(C/C=C/c2ccccc2)CC1 28456947 HQNQUYJMHCNZLQ-KPKJPENVSA-N 334.463 3.523 0 1 EHAF Cn1cc(-c2ccc3c(c2)CCc2n[nH]cc2-3)c(-c2ccncc2)n1 71332548 QDIJXDZLGDCRMN-UHFFFAOYSA-N 327.391 3.638 0 1 EHAF COc1ccc(CC[C@@H]2C[C@@H](CCc3ccc(OC)cc3)N2)cc1 96285971 YJGDVNRZQMMOTC-RTBURBONSA-N 325.452 4.000 0 1 EHAF CCCOC(=O)CCN[C@]1(c2ccccc2Cl)CCCCC1=O 96910540 GSLQTNIISBAJKM-SFHVURJKSA-N 337.847 3.611 0 1 EHAF C[C@@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc(C(F)(F)F)cc1 102067357 HMPZQTNOBUQTRI-UGFHNGPFSA-N 341.373 3.977 0 1 EHAF COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)NC(=S)N2)cc1 103192174 WVBDEDDFIYDBGG-INIZCTEOSA-N 330.840 3.909 0 1 EHAF CCOC(=O)Cc1ccc(Cc2cn(Cc3ccccc3)cn2)cc1 103213666 LZSROKSPDAVQGL-UHFFFAOYSA-N 334.419 3.628 0 1 EHAF Cc1nnc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)o1 144778730 XYTPVSMTBGGJOH-INIZCTEOSA-N 332.281 3.824 0 1 EHAF Cc1cc(=O)n(CCOc2ccc3c(c2)Sc2ccccc2N3)[nH]1 169721422 QAZFNXDENMACEF-UHFFFAOYSA-N 339.420 3.772 0 1 EHAF CC/C=C\C[C@H](O)/C=C/C1=CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 205008237 ZIFWTSFMNWFLAJ-PZUFVIJHSA-N 332.440 3.976 0 1 EHAF CCOC(=O)c1ccc(Nc2cc(C)nc(-c3cccnc3)n2)cc1 220943043 AGGDYERONRQCPJ-UHFFFAOYSA-N 334.379 3.767 0 1 EHAF NC(=O)N1CCCc2cc(-c3cnccc3-c3ccc(F)cc3)cnc21 221451413 JQSSYZPGLLSWTB-UHFFFAOYSA-N 348.381 3.781 0 1 EHAF Cc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)oc2c1[C@@H](O)CCC2 586903708 NKMMPOAQUPDGGI-ZDUSSCGKSA-N 340.379 3.662 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccnc(Cl)c2[nH]1 586916100 KGKQDXWKEBGFKI-KPZWWZAWSA-N 341.798 3.828 0 1 EHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)cnc2[nH]1 586963654 PWAAIDMBZUHMEU-SNVBAGLBSA-N 335.820 3.659 0 1 EHAF Nc1ccc(F)c(Cc2nc3ccc(Br)c(F)c3[nH]2)c1 587140618 DRHHWRXBPOUCNS-UHFFFAOYSA-N 338.155 3.777 0 1 EHAF CO/C=C/[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346019 AQLAFRGDNDJHIQ-TXLWSROUSA-N 328.339 3.809 0 1 EHAF Cc1ccc(/C(=C\N(C)C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587388151 WZXWLZYGRNDDOU-KEWOFRHOSA-N 336.435 3.822 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)OC(F)(F)O4)[C@@H](C2)C3=O 587424526 OYMAFFBGDSSAJW-APPDUMDISA-N 346.285 3.505 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1c1ccccn1)[C@@H](C2)C3=O 587435159 DHSPRARAHGJISI-QYWGDWMGSA-N 335.403 3.934 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN1CCCC1)CC2=O 587474602 IQXMVDZVAXRZME-SFHVURJKSA-N 331.456 3.801 0 1 EHAF CCO[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587814493 ZWSIQJMPKASXOF-AMKSKSKJSA-N 342.252 3.907 0 1 EHAF COc1ccc2c(c1)[C@@H](c1ccccc1-n1cncn1)N(C(C)C)CC2 962095618 ZHSLTXSQJGOHDW-OAQYLSRUSA-N 348.450 3.632 0 1 EHAF Oc1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)nc1Cl 963118601 ZTCPNRYEERQZLS-CYBMUJFWSA-N 329.614 3.983 0 1 EHAF Cc1ccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)no2)cc1 1857649155 VSDWEWXUNGNMJZ-UHFFFAOYSA-N 344.317 3.606 0 1 EHAF COc1ccc2ccc(=O)oc2c1C/C=C(\C)COC(=O)C=C(C)C 1857744474 LQVFHCHIXRGDGH-LHHJGKSTSA-N 342.391 3.800 0 1 EHAF CCCCC[C@@H]1C=C[C@@H]2[C@@H](O)CC(=O)[C@@H]2CC=CCCCC(=O)O1 2356675587 BJXHXZDHQUYRMA-VXNCWWDNSA-N 334.456 3.731 0 1 EHAF COc1cccc(-c2c[nH]c([C@@H](O)c3ccc(SC)cc3)n2)c1 61906810 MHBYHSJWXLJNIM-KRWDZBQOSA-N 326.421 3.889 0 3 EHAF c1ccc(OCCNc2ccn3nc(-c4cccs4)cc3n2)cc1 61908937 IYRJAIOQCPUCDZ-UHFFFAOYSA-N 336.420 3.949 0 3 EHAF CN(C)CCc1c[nH]c2ccc(-c3nc(Cc4ccccc4)no3)cc12 14693 PGGBQIXTFVYDAU-UHFFFAOYSA-N 346.434 3.913 0 1 EHAF Cc1ccc(-c2nnc3n(CC(C)C)c(=O)c4ccccc4n23)s1 6781306 UQDOWQASSCEHFM-UHFFFAOYSA-N 338.436 3.737 0 1 EHAF CN1CCc2cc(Cl)c3[nH]c(O)nc3c2[C@@H](c2ccccc2)C1 13608537 DPKZHLPZHKHTPD-CYBMUJFWSA-N 327.815 3.542 0 1 EHAF COc1cc(NC(C)(C)CCCN)c2nc(C(F)(F)F)ccc2n1 28826050 BZXMZIBWVCWCND-UHFFFAOYSA-N 342.365 3.587 0 1 EHAF CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@H]1N(C)C 29544821 CGXGNWSPUTZFPN-CABCVRRESA-N 328.378 3.650 0 1 EHAF CCCC[C@]12C[C@@]1(C(=O)N(C)CC)C(=O)Nc1ccc(Cl)cc12 34821578 ORJLIOXADAPXQD-MSOLQXFVSA-N 334.847 3.589 0 1 EHAF CCc1ccccc1Nc1cnccc1NS(=O)(=O)C(F)(F)F 49034206 WSKYPJGASMQVQC-UHFFFAOYSA-N 345.346 3.649 0 1 EHAF Cc1ccccc1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 64559568 KSIDACILJMPROB-HNNXBMFYSA-N 344.354 3.598 0 1 EHAF CCCc1cc(Oc2c(C)cc(C[C@H](N)C(=O)O)cc2C)ccc1O 169342198 UCVZSPIWLGKXNS-KRWDZBQOSA-N 343.423 3.708 0 1 EHAF Cc1c(S(=O)(=O)NCc2ccc(Cl)cc2)[nH]c2ccccc12 203662731 MVJMPGDRGHROFU-UHFFFAOYSA-N 334.828 3.608 0 1 EHAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN(C(C)C)C(C)C)[C@@H]2CC1 253650664 HOECHOPEVNIDAI-MFPFFRNPSA-N 349.515 3.941 0 1 EHAF CCc1c(C)sc2nc(=S)n(CCCn3cnc(C)c3)c(O)c12 261075883 AVZGNZFLILTUHI-UHFFFAOYSA-N 348.497 3.999 0 1 EHAF CCOc1nn(-c2ncc(C3CC3)cn2)c(C)c1Cc1ccccc1 299862479 JRUJPBFLUCGKOA-UHFFFAOYSA-N 334.423 3.838 0 1 EHAF O=C1CCc2cc3nc(CCCCc4cccc(O)c4)[nH]c3cc2N1 586896224 MEXIIGLEVZTDNJ-UHFFFAOYSA-N 335.407 3.719 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@@H]3CO 586992279 UHZUXLQUSXZARB-LLVKDONJSA-N 331.371 3.564 0 1 EHAF Cc1ccc2c3c(cc(CCn4cncn4)nc13)-c1ccccc1C2=O 587096186 FIMXNNIPBJDCRP-UHFFFAOYSA-N 340.386 3.589 0 1 EHAF O=C(O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[nH]n1 587108305 YUTBGTXVEOTYPU-UHFFFAOYSA-N 341.326 3.535 0 1 EHAF Cc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2n1 587116025 KJQQKHNXCBXMRP-UHFFFAOYSA-N 329.285 3.895 0 1 EHAF CCOc1cc(/C=C/c2nc3cc(=N)[nH]cc3[nH]2)ccc1OC(F)F 587129738 FQTVFDMPUZKHAE-GQCTYLIASA-N 346.337 3.541 0 1 EHAF CCS(=O)(=O)c1ccc2nc(/C=C/c3ccc(C)c(F)c3)[nH]c2c1 587146429 LNXLKMLJDLOIIL-RMKNXTFCSA-N 344.411 3.974 0 1 EHAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587149574 ICSOLIDKQQTKLF-ANRSDYALSA-N 332.310 3.705 0 1 EHAF NC1CCC(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 587256922 VGTNQUCNSRAWIG-UHFFFAOYSA-N 328.641 3.964 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@@H]3CCCC[C@@H]3C)CC1)O2 587395542 ODAGJDQTBMXOQQ-MAUKXSAKSA-N 342.483 3.956 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)cc(O)n4C)[C@@H](C2)C3=O 587432012 SUPPCKLVXSYWMW-BTYIYWSLSA-N 349.386 3.555 0 1 EHAF Cc1[nH]c2c(C(=O)O)cccc2c1[C@@](O)(c1ccccc1)C(F)(F)F 587638559 ZVYGREUSHURPGM-KRWDZBQOSA-N 349.308 3.973 0 1 EHAF Cc1c(-c2cc(F)c(F)cc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587649265 GMEAJNNIGPFHHG-UHFFFAOYSA-N 339.338 3.964 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccn2)N1 587727518 BNUWVDBXNWKLCF-VXJOIVPMSA-N 339.183 3.746 0 1 EHAF COc1nccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587782210 ITIMZONFDPAILT-UHFFFAOYSA-N 347.374 3.918 0 1 EHAF CC[C@@H]1CCC(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587822904 NIMUDUGYQFJXRT-ZXLZKYRFSA-N 340.236 3.707 0 1 EHAF CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1OC 653829441 GWDNXYRWQYUBFZ-JYJNAYRXSA-N 330.405 3.532 0 1 EHAF Cc1c(-c2ccc(Cl)c(Cl)c2)c(=N)[nH]n1C(=O)c1cccnc1 1857654086 BZLHYEAMMIAEAY-UHFFFAOYSA-N 347.205 3.661 0 1 EHAF O=C1C(c2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])=C(O)c2ccccc21 3844556 GDFCDVSVGXBYGO-UHFFFAOYSA-N 346.682 3.779 0 1 EHAF biogenic COC(=O)c1cc(C)ccc1[C@@H]1CN=N[C@@]12Cc1ccc(C)cc1C2=O 5539803 MHBBUIFYOBDBRL-RXVVDRJESA-N 348.402 3.817 0 1 EHAF O=C(O)[C@@H]1CCCN(CCOC2c3ccccc3-c3ccccc32)C1 13863079 RVDWZAORHZYIOB-OAHLLOKOSA-N 337.419 3.570 0 1 EHAF O=C(NCc1ccc(Br)cc1)Nc1cccc2[nH]cnc12 14973812 OHQUQFLHOFTYFW-UHFFFAOYSA-N 345.200 3.647 0 1 EHAF O=c1[nH]c2cc(Cl)c(-n3cccc3)cc2n(C2CCCCC2)c1=O 26729553 SFTDOONTELCUHR-UHFFFAOYSA-N 343.814 3.639 0 1 EHAF CCCc1cc([C@H](C)O)ccc1OCc1ccc(C(=O)O)cc1OC 27883718 UBUITBRSSLVPFC-ZDUSSCGKSA-N 344.407 3.978 0 1 EHAF CSc1ccc(C(=O)c2c(SC)cc3n2CC[C@@H]3C(=O)O)cc1 28226179 PKRRTYUPTOPHDV-LBPRGKRZSA-N 347.461 3.735 0 1 EHAF COc1c(-c2cccc(F)c2)oc2ccc(NC(C)=O)cc2c1=O 58569347 COMKWUJOVBEIII-UHFFFAOYSA-N 327.311 3.566 0 1 EHAF Brc1ccc(-c2nc(CNCc3cccnc3)co2)cc1 72182704 AJQBZEZOHQZNKF-UHFFFAOYSA-N 344.212 3.789 0 1 EHAF COc1cccc(-c2n[nH]c3ccnc(-c4ccc(OC)nc4)c23)c1 74388363 FZTSJHFBTBUHSN-UHFFFAOYSA-N 332.363 3.704 0 1 EHAF COc1cccc(-c2cc(=O)n(C[C@H]3CCCNC3)c3ccccc23)c1 95586210 WWQIGCBVELGIIG-INIZCTEOSA-N 348.446 3.677 0 1 EHAF CC(=O)SCC(=O)Nc1cccc(-c2cnc3ccccc3n2)c1 96178017 JMAFKCNVKFAFKL-UHFFFAOYSA-N 337.404 3.515 0 1 EHAF O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)Nc1ccccc1 102168005 LSFGLLSUUIQKJP-IHWOHKJGSA-N 347.842 3.746 0 1 EHAF CCCCOCCOCCOCc1cc2c(cc1CCC)CCO2 103185586 RHNJEHPJRCIZHR-UHFFFAOYSA-N 336.472 3.924 0 1 EHAF C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1 116232092 MODHPFWYLIVFGN-ZDUSSCGKSA-N 333.391 3.984 0 1 EHAF O=C(Nc1ccc(CC[C@@H]2CCNC2)cc1)c1ccc(Cl)cn1 117717323 WCTBUVFUFIYOJI-CQSZACIVSA-N 329.831 3.529 0 1 EHAF CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC[C@](C)(O)/C=C/2OC1=O 238754375 ISOHZXFJJWEPNL-QMHJPDKQSA-N 332.440 3.953 0 1 EHAF CCCC1(c2nc3cc(I)cnc3[nH]2)CCC1 586877721 LTTFLPBWIBHDPS-UHFFFAOYSA-N 341.196 3.784 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(Cl)nc2[nH]1 586916455 MNMIHOVKGVYXPM-KPZWWZAWSA-N 341.798 3.828 0 1 EHAF FC(F)(F)Oc1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 586918461 MYJCFAYPUGMHNG-AWEZNQCLSA-N 336.269 3.974 0 1 EHAF Fc1cccc2nc(C(F)(Br)Br)[nH]c12 587088413 MSTXIRAVNBQCLD-UHFFFAOYSA-N 325.938 3.572 0 1 EHAF O=C1c2ccccc2-c2cc([C@]3(Cl)CCOC3=O)nc3cccc1c23 587104115 OAOMZZUSTAQYOL-HXUWFJFHSA-N 349.773 3.827 0 1 EHAF CC(=O)NC(C)(C)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104409 RCILYTKSPBFKEA-UHFFFAOYSA-N 344.414 3.903 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cn3c(F)cccc3n1)CC2=O 587470211 FIUQAVNYVVBIAQ-MRXNPFEDSA-N 340.354 3.838 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1ccccc1OC(F)(F)F 587652093 WAFSSHDLECAMJX-UHFFFAOYSA-N 340.688 3.938 0 1 EHAF COc1ccoc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587831496 XKUADCHKRPSVNS-XLKFXECMSA-N 340.192 3.813 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccs2)N1 587856281 XIODQMSUFPBFDA-JVXZTZIISA-N 327.222 3.668 0 1 EHAF C[C@@H](S/C=C1\NC(=O)c2c(-c3ccccc3)csc2N1)C(=O)O 958054855 OGEDMUIRXQDHKR-YXYQAXARSA-N 346.433 3.576 0 1 EHAF CC1(C)[C@@H](OCc2ccccc2)C[C@]12NCCc1nc3ccccn3c12 962983660 LWGJQUHVLDOJSD-PGRDOPGGSA-N 347.462 3.691 0 1 EHAF COc1ccc(-c2cn3ccnc(NC(=O)c4ccccc4)c3n2)cc1 1772619340 OBSIWLGGJIZOCD-UHFFFAOYSA-N 344.374 3.657 0 1 EHAF CC=Cc1ccc(O[C@H](C)[C@H](O)c2ccc(O)c(OC)c2)c(OC)c1 2356587025 WCFYXOLUODJLKB-XCLFUZPHSA-N 344.407 3.943 0 1 EHAF Cc1cc(C)n(C[C@H](C)NCc2c[nH]nc2-c2ccc(C)c(C)c2)n1 11933816 LVIXRLUCTYKDHK-INIZCTEOSA-N 337.471 3.685 0 3 EHAF CCN1C(=O)N(c2cccc(Cl)c2)S(=O)(=O)c2cscc21 6385246 AONQRDYTGVOKPZ-UHFFFAOYSA-N 342.829 3.557 0 1 EHAF CC[C@]12CCCN[C@H]1c1c(n(C)c3ccccc13)[C@@H](C(=O)OC)C2 17215810 BOUCDMYOGZRXRQ-ADLFWFRXSA-N 326.440 3.660 0 1 EHAF CC(=O)N1CCC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26945076 PAPPHBRFOXAGKW-OHFNBNKZSA-N 333.516 3.991 0 1 EHAF CCCCC[C@](CCN(C(C)C)C(C)C)(C(N)=O)c1ccccn1 27522058 QOCZYJWXSNNJMA-HXUWFJFHSA-N 333.520 3.894 0 1 EHAF CN1CCc2cccc3c2[C@H]1Cc1cc(Br)cc(O)c1-3 27655165 KHTGEMLTFUDITR-CQSZACIVSA-N 330.225 3.907 0 1 EHAF CO[C@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 40878404 IZHIOJKJMMKWEY-IBGZPJMESA-N 327.399 3.992 0 1 EHAF N=C(NCCc1c[nH]c2ccccc12)NCc1ccccc1Cl 45229712 OMDGKRLQOYNBMN-UHFFFAOYSA-N 326.831 3.678 0 1 EHAF Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccccc1)O3 49089108 NFWVQNCKQLSTOF-SFHVURJKSA-N 349.434 3.650 0 1 EHAF CC(C)C[C@H](C(=O)NC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 49783708 BFRONHMFHXJUJB-NSHDSACASA-N 331.243 3.921 0 1 EHAF CN(C)CC(=O)NN1c2ccccc2Sc2cc(Cl)ccc21 68196775 BZPJQAGUAPIWBK-UHFFFAOYSA-N 333.844 3.536 0 1 EHAF C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CCC1=CC(=O)OC1 69482557 JPADNOYXVVHBCB-UNGRWJMUSA-N 330.424 3.566 0 1 EHAF biogenic,in-vitro CCCCOCCCNc1cc(-c2cc(F)ccc2OC)ncn1 82161756 WSXGWOZGWOHJDH-UHFFFAOYSA-N 333.407 3.910 0 1 EHAF CCCSc1ncccc1C(=O)N1CCC[C@H]1c1ccncc1 95576668 VPMVCCJNDYXJJG-INIZCTEOSA-N 327.453 3.956 0 1 EHAF Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1ccc(Cl)cc1 103199888 HFSHRRVJBHXPQG-UHFFFAOYSA-N 348.708 3.697 0 1 EHAF O=C(Cc1ccc(Oc2ccccc2)cc1)N[C@H]1COc2ncccc21 146486646 AQNCXAZPEZPUIL-IBGZPJMESA-N 346.386 3.666 0 1 EHAF CCCc1cc(=O)oc2cc(NC(C)=O)c3c(c12)OC(C)(C)C=C3 169342926 YVRRVDPDWLPZRT-UHFFFAOYSA-N 327.380 3.888 0 1 EHAF CCCCOc1cc(C(=O)N2CCCCC2)nn1-c1ccccc1 169344154 CDAMRUIYXLHSHY-UHFFFAOYSA-N 327.428 3.677 0 1 EHAF C[Si](C)(C)CCC[C@](O)(Cn1cncn1)c1ccc(F)cc1F 195901442 KBKYNXFBFKZUIJ-INIZCTEOSA-N 339.462 3.563 0 1 EHAF CO[C@@]12C[C@@H]3[C@H](CC[C@@]4(O)C(C)(C)CCC[C@]34C)[C@@H](C)C1=CC(=O)O2 238774229 VINXKOZSSIAGKQ-XZQMPWMZSA-N 348.483 3.826 0 1 EHAF CC/C=C\C/C=C\[C@H](O)[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)O 238779972 XJVATZRQYYFGGW-KUDSCSNYSA-N 334.456 3.934 0 1 EHAF C[C@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@]45CCC(=O)OC[C@]34CC[C@H]1[C@@H]25 238783226 AEJYSVZYGHPRNK-XVGOIUKUSA-N 341.495 3.787 0 1 EHAF CCOc1cc(/C=C/c2nc3cc[nH]c(=N)c3[nH]2)ccc1OC(F)F 587129583 DTXSXFJMWSJRCO-GQCTYLIASA-N 346.337 3.541 0 1 EHAF O=C1CCc2cc3nc([C@@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3cc2N1 587151439 HWVYCPKIBNFAPQ-VXGBXAGGSA-N 339.345 3.997 0 1 EHAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(Cl)ccnc2[nH]1 587234078 WIMQFXLFHGDSRS-GXSJLCMTSA-N 336.823 3.772 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3nccc(Cl)c13)O2 587380928 YLQDTHVKHHHXAN-CQSZACIVSA-N 327.771 3.813 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3ccnc3C)cc1)O2 587391684 TWYUGZPUGBGXIB-OAQYLSRUSA-N 347.418 3.952 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Br)s1)O2 587410963 AHANNBYSAXEWAB-JTQLQIEISA-N 339.214 3.503 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(O)ccc(Cl)c1F)[C@@H](C2)C3=O 587425329 BSSPPDWLXASNLE-HUTHGQBESA-N 334.730 3.682 0 1 EHAF COc1cc2c3c(c1)O[C@](c1cccc(C=O)c1)(C1CC1)[C@@H](C2)C3=O 587443688 BJANJCHHZZFLIR-UWJYYQICSA-N 334.371 3.561 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)cc(OC)c1)CC2=O 587482066 RGDMFOYEMWAEBC-GOSISDBHSA-N 328.364 3.765 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OCC)co1)CC2=O 587482939 PDOJZQUXHOTOFL-QGZVFWFLSA-N 344.363 3.821 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(F)c1 587571947 SKDWCAVMFJROTA-QFBILLFUSA-N 337.306 3.629 0 1 EHAF C[C@H]1[C@H](C)CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822129 IVXPWDPGYJDIKL-SJBBUJNXSA-N 340.236 3.563 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)CCC[C@H]2C 587824766 YKKUJFGZBOCPBX-LYGAQUJYSA-N 340.236 3.707 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncs2)N1 587854637 RHLKEGVAHVUXCV-RTHLEPHNSA-N 341.249 3.842 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccns2)N1 587856567 ISWBVUGOKGYJLU-WPPNPWJKSA-N 327.222 3.668 0 1 EHAF Cc1c(F)ccc2c1[C@@](CCCC(=O)O)(c1cccc(F)c1)NCC2 962300840 QRIUVAJDYBCJFT-HXUWFJFHSA-N 345.389 3.917 0 1 EHAF CC(=O)c1c(O)c2cc(F)cc(F)c2[nH]c1=NCc1ccc(F)cc1 1857554492 WQSHBKCSGHAOTF-UHFFFAOYSA-N 346.308 3.594 0 1 EHAF O=C1CCC[C@@H]2Cc3nc4ccc(Cl)cc4cc3[C@@H]3CCN1[C@@H]32 36382976 BQEGQXJNMQZULV-CILWKZBWSA-N 326.827 3.929 0 3 EHAF COc1ccc([C@@H](O)c2nc(-c3ccc(N(C)C)cc3)cs2)cc1 61904162 AJRXOEAPTICGQA-GOSISDBHSA-N 340.448 3.966 0 3 EHAF CCOc1ccc(-c2cc(C(=O)NCc3ccccc3)[nH]n2)c(C)c1 61907099 OPGHJWWOADPOSR-UHFFFAOYSA-N 335.407 3.714 0 3 EHAF CN1O[C@@](C)(CC(=O)Nc2ccccc2)N=C1c1ccccc1Cl 74373284 RSLJTBFSMXCMSU-SFHVURJKSA-N 343.814 3.709 0 3 EHAF O=C1c2ccccc2[C@@H](c2nc3ccccc3[nH]2)N1c1ccccn1 199396785 FFQHGAJDAZMKGN-SFHVURJKSA-N 326.359 3.708 0 3 EHAF CCCN[C@@H](c1ccc(O)cc1)[C@H](NCCC)c1ccc(O)cc1 27897834 NDYDHIIQSOAMDX-BGYRXZFFSA-N 328.456 3.879 0 1 EHAF OCC[C@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 66258251 GQRRDQRVRCFGJQ-HXUWFJFHSA-N 341.426 3.771 0 1 EHAF O=C1NCc2[nH]c3c(ccc4cnc(Nc5cccc(F)c5)cc43)c21 72111353 WKRRYRSXQAPECL-UHFFFAOYSA-N 332.338 3.842 0 1 EHAF CSc1nn(-c2ccccc2)c2c(OC3CCNCC3)cccc12 72175055 YKXVHUMIOCJOMZ-UHFFFAOYSA-N 339.464 3.878 0 1 EHAF CN(C)CC(=O)NN1c2ccccc2Sc2ccc(Cl)cc21 73195988 QZEILJFOMBSNNN-UHFFFAOYSA-N 333.844 3.536 0 1 EHAF CCCCNc1ncc(C(=O)NCC2CC2)c(-c2ccccc2F)n1 82151415 NHDJSMANTXUJEZ-UHFFFAOYSA-N 342.418 3.635 0 1 EHAF C=CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(OC)cc2)OC1 82157862 FWZHZFNHUTZRPI-FQEVSTJZSA-N 335.403 3.566 0 1 EHAF COc1cc2c(C(=O)c3ccc(C)cc3)c[nH]c2c(OC)c1OC 95591087 KUSRHFLVEXAYNQ-UHFFFAOYSA-N 325.364 3.733 0 1 EHAF Nc1nc(=S)[nH]c2c1[C@H]1CCCCCN1C(=O)N2c1ccccc1 96935396 MCDDFZWGBRYNSU-GFCCVEGCSA-N 341.440 3.910 0 1 EHAF Cc1nc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)sc1F 96939178 ZLESPSYSYGEQOS-UHFFFAOYSA-N 348.334 3.564 0 1 EHAF C[C@H](Oc1cccc2ccccc12)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100752402 SYHSXECRAFMSGC-XIRDDKMYSA-N 339.435 3.776 0 1 EHAF CCOC(=O)CC1=N[C@@](C)(c2ccccc2)c2ccccc2CN1C 100883593 ATVQXTOQFFTBTC-NRFANRHFSA-N 336.435 3.747 0 1 EHAF C[C@]1(CC(F)(F)F)NC(=O)c2sc(-c3ccncc3)cc2N1 114221556 PNMGTDVFGLZVQH-CYBMUJFWSA-N 327.331 3.634 0 1 EHAF C[C@@H]1O[C@@H]2O[C@@H](c3ccoc3)C[C@]2(c2cccc3c2COC3=O)[C@@H]1C 238767072 CTDRGEIVHYZZCA-PPZFSOASSA-N 340.375 3.730 0 1 EHAF CC1(C)COc2c(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)cccc21 586911954 MVADWLMEKHRXGR-UHFFFAOYSA-N 334.301 3.660 0 1 EHAF COC(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587037394 UXVCNKONNQJHGL-CQSZACIVSA-N 330.434 3.790 0 1 EHAF Cc1cnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 587076166 KDNTXIWYZSCKIH-UHFFFAOYSA-N 339.786 3.755 0 1 EHAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1OC 587377769 YWTDDJNYFMNUEZ-OAHLLOKOSA-N 347.798 3.954 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(C(C)(C)C)c1C)O2 587393224 ZWJWJWSFKUHGQN-LJQANCHMSA-N 327.428 3.718 0 1 EHAF CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587398722 HBXZFYKCQZKLIM-KRWDZBQOSA-N 327.380 3.691 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(F)cc(Cl)cc1OC)[C@@H](C2)C3=O 587423449 JSZZKPVIEQZOSV-VOJFVSQTSA-N 348.757 3.985 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)cnn1C)CC2=O 587463560 YRDQDQKTUBRXLQ-QGZVFWFLSA-N 334.803 3.612 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2F)N1 587737183 YRYDZZJRRZAWOD-ANRSDYALSA-N 339.183 3.746 0 1 EHAF COc1ccc(-c2cccc(-c3nc4ccnc(O)c4[nH]3)c2)cc1O 587785554 BPNOWEXMDCPQHQ-UHFFFAOYSA-N 333.347 3.712 0 1 EHAF Cc1nscc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587854055 BFEUBWPFPJDILB-NXSYQRQQSA-N 341.249 3.977 0 1 EHAF Cc1cc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c2ccccc2n1 963031856 OSZDPIUEDPVOAK-RCDICMHDSA-N 343.430 3.686 0 1 EHAF Cc1sc2c(c1C)CCN[C@]2(C(=O)c1ccco1)c1ccco1 963034454 YUBJVUIKSGSAOJ-SFHVURJKSA-N 327.405 3.823 0 1 EHAF O=C(CCc1nnc(CCCc2ccccc2)o1)N1CCCCCC1 11760119 OCKLMHBHABMRTN-UHFFFAOYSA-N 341.455 3.580 0 3 EHAF CCN(CC)CCNC(=O)c1cc2cc3ccc(C)cc3nc2s1 4885939 OTZCOROAIKQSBZ-UHFFFAOYSA-N 341.480 3.830 0 1 EHAF O=C1c2ccccc2CN1CCCCN1CC[C@@H](c2ccccc2)C1 28769816 ILQNTXCJQDSEDV-LJQANCHMSA-N 334.463 3.912 0 1 EHAF O=C1CSCN1CCCCNc1ccnc2cc(Cl)ccc12 35091190 MGCXLVTWQJHCTC-UHFFFAOYSA-N 335.860 3.613 0 1 EHAF CC(C)N1C(=O)N[C@H](c2cccc(F)c2)c2cc3c(cc21)OCO3 39290286 SLSJIUVGQLHRNL-QGZVFWFLSA-N 328.343 3.582 0 1 EHAF CNC(=O)c1cnc(N)c(-c2cc(Cl)cc(Cl)c2Cl)c1 140813518 DIFLLTOFIQIMEY-UHFFFAOYSA-N 330.602 3.651 0 1 EHAF C[C@H](NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)C1CC1 166822645 MRYDTQUDPVSOIG-AWEZNQCLSA-N 349.434 3.763 0 1 EHAF Cc1cc(-c2c(C)[nH]n(-c3ccccc3)c2=O)n(-c2ccccc2)n1 169330722 MBZINFISJNLCQJ-UHFFFAOYSA-N 330.391 3.635 0 1 EHAF CC(=O)N1N=C2/C(=C/c3ccccc3)CN(C)C[C@@H]2[C@@H]1c1ccccc1 169331872 CSNDORMQFXNGNJ-IKAOOBOOSA-N 345.446 3.591 0 1 EHAF CCOC(=O)C1=C(c2ccccc2)N=C(CC)[C@@H](C(=O)OCC)[C@H]1C 169715638 LZBXZZZIZRFRAE-CJNGLKHVSA-N 343.423 3.641 0 1 EHAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 586885218 BRIRDCJHHVYOKF-MGPLVRAMSA-N 328.343 3.546 0 1 EHAF Oc1nccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587017850 REXHHMUUAMUGOE-UHFFFAOYSA-N 329.772 3.502 0 1 EHAF COc1cc(OC)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 587079726 GEZPRYVXBSECGB-HNNXBMFYSA-N 330.771 3.910 0 1 EHAF Oc1nncc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587095389 WQIOMRXGNIJHSV-UHFFFAOYSA-N 348.206 3.763 0 1 EHAF FC(F)(F)c1ccn(CCc2nc3ccc4ncccc4c3[nH]2)n1 587119422 XEATXMPYWYXPDK-UHFFFAOYSA-N 331.301 3.569 0 1 EHAF CCOC(=O)Cc1c(-c2cccc(C=O)c2)nc2cccc3c2c1CC3 587212179 PMHFFSXUZCNEGG-UHFFFAOYSA-N 345.398 3.919 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3nc(C)no3)c1)O2 587394595 IJHRGFXOJSJJEO-KRWDZBQOSA-N 335.363 3.642 0 1 EHAF Nc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577349 KCLZGFDMIOREAU-FXAWDEMLSA-N 333.343 3.677 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1C[C@H]2C=C[C@H]1C2 587604948 VYZINUFXSGILQS-WSDHXFIJSA-N 334.371 3.935 0 1 EHAF COc1cccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587659953 AEFQLKKLFHBWCE-UHFFFAOYSA-N 347.349 3.595 0 1 EHAF COc1cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(OC)c1O 587785826 OLVBKNHWHDWDAI-UHFFFAOYSA-N 327.384 3.645 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CCN(C)C 587866114 SNKRODBRBYMECM-UHFFFAOYSA-N 327.350 3.529 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C(=O)OC)cc1 587871325 FRGXECLGZJENCS-UHFFFAOYSA-N 340.354 3.864 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(Cc1cccnc1)C(C)C 963611224 QNUUCVYPGNGIME-YCRPNKLZSA-N 340.467 3.727 0 1 EHAF COc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)c(OC)n1 1772590457 JBRGOJOHEISXNB-UHFFFAOYSA-N 332.743 3.599 0 1 EHAF CCCc1sc(C)nc1C(=O)N(C)C[C@H]1CCCN2CCCC[C@H]12 2356737717 SMFKKURWDOXJIO-HZPDHXFCSA-N 349.544 3.741 0 1 EHAF Cc1ccc(-c2cnn(C(C)(C)C(=O)NCc3ccco3)c2)c(C)c1 74387664 ALEDBVGFVBFJJA-UHFFFAOYSA-N 337.423 3.811 0 3 EHAF COc1cccc([C@@H]2N(c3cccc(Cl)c3)C(=O)[C@@H]3CCCN32)c1 250443911 MUDLSFMNAFNHBU-ROUUACIJSA-N 342.826 3.858 0 3 EHAF O=C(NC[C@@H]1Cc2cc(-c3cccnc3)ccc2O1)c1cccs1 11881233 WRVWLUPWLXUFLQ-INIZCTEOSA-N 336.416 3.544 0 1 EHAF C[C@@H]1C(=O)O[C@@H]2O[C@H](O)[C@@H]3CCC([C@]4(C)CCCC(C)(C)C4)=C1[C@@H]23 13381785 HSDXELNXVWXRNR-QELVSLPZSA-N 334.456 3.783 0 1 EHAF biogenic COc1cc2c(cc1O)[C@H](c1ccc3c(c1)OCO3)[C@H](C)[C@@H](C)C2=O 14726903 PJUJSNARYVMNSV-BFKGZMGPSA-N 340.375 3.730 0 1 EHAF biogenic CCOC(=O)CCCc1ccc2c(c1)C(=O)c1sccc1CO2 27210142 ZNYNGLFYNXRPRL-UHFFFAOYSA-N 330.405 3.757 0 1 EHAF COc1ccc2c(c1)CN(C(=O)NCc1ccccc1)CCS2 35283912 CSLLJYHYSRXAPF-UHFFFAOYSA-N 328.437 3.513 0 1 EHAF O=C(c1ccccc1C(F)(F)F)N(c1ccccc1)[C@H]1CCNC1 43120374 HDXRSCIIKGHXQP-AWEZNQCLSA-N 334.341 3.714 0 1 EHAF CC[C@@H](C)/C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC 58650152 GGNUJBNONVTLHE-ZECSTPGPSA-N 338.411 3.983 0 1 EHAF in-vitro CC1=CCCC(C)(C)[C@H]1/C=C/c1cc(C(=O)N2CCOCC2)no1 95571994 IJKXVLIQLKFIMQ-MOEXGYKKSA-N 330.428 3.543 0 1 EHAF CCOc1cc2c(cc1Cl)nc(SCCn1ccnc1)n2C 96924273 JXZLHXFZNULSOJ-UHFFFAOYSA-N 336.848 3.614 0 1 EHAF CC(C)[C@@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1 142117940 CUTPLPKYQGWUBC-ZFWWWQNUSA-N 326.400 3.631 0 1 EHAF Cn1cc(-c2cc(O)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 143339120 FTIMQDOBJIMNGI-QGZVFWFLSA-N 346.308 3.571 0 1 EHAF C=CC[C@@H]1CC(c2ccc3nc(-c4ccccc4)oc3c2)=NNC1=O 169023040 KZWORJVMTQPOSU-OAHLLOKOSA-N 331.375 3.911 0 1 EHAF COc1ccc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc1 169348272 QFROZSBTZCFTII-FMIVXFBMSA-N 334.419 3.788 0 1 EHAF C/C=C(/C)C(=O)O[C@@]1(C)CC[C@]2(O)[C@@H](C(C)C)CC[C@]2(C)CC1=O 169647295 BVJPUZCDZDGQEQ-QMWOMEJUSA-N 336.472 3.811 0 1 EHAF CCCCC[C@@H]1/C=C\[C@H]2C(=O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 195147512 HZYSFMCHNGCKLZ-SCSDNGRUSA-N 334.456 3.731 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)NCC[C@]4(C)[C@H]3CC[C@@]12C 253695513 NRBYKRJQRQZVLV-FTHRUDGRSA-N 347.499 3.687 0 1 EHAF FC(F)(F)Oc1ccc(CN2C3=NCCN3c3ccccc32)cc1 299834498 YGUUWMMGDCJZMZ-UHFFFAOYSA-N 333.313 3.781 0 1 EHAF NC(=O)c1cccc2nc(CCCCCCCCCCCO)[nH]c12 586894365 BDPHTUDAVOQEON-UHFFFAOYSA-N 331.460 3.708 0 1 EHAF CC1(C)COc2c(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)cccc21 586911380 HYNCPZOUSGLMOP-UHFFFAOYSA-N 333.391 3.785 0 1 EHAF CCCCc1cc(=O)oc2cc(OCc3nc4cccnc4[nH]3)ccc12 586917425 BQZVMPNGLVZBHN-UHFFFAOYSA-N 349.390 3.986 0 1 EHAF Cn1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586987580 OQNSFENIZBRBDC-UHFFFAOYSA-N 327.343 3.552 0 1 EHAF Cc1cc(Cl)ccc1OCCCc1nc2cnc(Cl)[nH]c-2n1 587066809 RSMQQLPIHGBTKN-UHFFFAOYSA-N 337.210 3.931 0 1 EHAF Cc1ccnc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 587121154 VGWAVIONHVOIEA-UHFFFAOYSA-N 335.211 3.694 0 1 EHAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Br)cnc2[nH]1 587168416 IFJYGZLXIBPGTA-MRVPVSSYSA-N 336.164 4.000 0 1 EHAF Cc1c(NC(N)=O)cccc1-c1nc2cccc(Br)c2[nH]1 587240213 RKLVKCVVQSVARJ-UHFFFAOYSA-N 345.200 3.791 0 1 EHAF Nc1cc(C(=O)O)cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587250296 ZSECZWVPADFBOC-UHFFFAOYSA-N 339.248 3.668 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H](N=O)[C@@H]2CC[C@@]1(C)C2(C)C 587386358 INTUQTLNVGUJQD-JFSXXWSZSA-N 328.412 3.872 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccnn1-c1ccccc1)O2 587390726 IEWVPEYNNAYZSI-FQEVSTJZSA-N 333.391 3.644 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(C[C@H](OCC(C)C)C1(C)C)[C@@H](C2)C3=O 587442760 NNCOQTMNFCZVDR-UVFQYZLESA-N 330.424 3.653 0 1 EHAF CN(C)Cc1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535168 IWTWKRPTSMGRMU-KRWDZBQOSA-N 342.464 3.790 0 1 EHAF Oc1nncc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587783926 JJETWBXGTNZUIJ-FLIBITNWSA-N 344.374 3.808 0 1 EHAF COc1cc2c(cc1OC)[C@@](C)(c1ccnc(Cl)c1)N(C)[C@H](C)C2 962617175 ASYQLTIPXCTZKU-CWTRNNRKSA-N 346.858 3.892 0 1 EHAF Oc1ccc2c(c1)[C@H](c1c[nH]nc1-c1cc3ccccc3o1)NCC2 963353915 UXWOYRINZUGJBN-LJQANCHMSA-N 331.375 3.764 0 1 EHAF COc1ccc(C)n2nc(CCc3cc(C)c4ccccc4n3)nc12 1772589717 MYSKWDGTGRORPM-UHFFFAOYSA-N 332.407 3.688 0 1 EHAF CC(C)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4C(=O)O)[C@@]3(C)CC[C@]2(C)CC1 2356323638 CLMHTTFHYDETIT-DOKOSKEHSA-N 332.440 3.658 0 1 EHAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@@H](C)[C@]12C 2356748122 WGFFJGFLKWMSGK-SPEAJAOQSA-N 346.423 3.748 0 1 EHAF COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(C)o2)cc1Cl 58046960 LHULDYOHOFDUNM-RHSMWYFYSA-N 346.814 3.760 0 3 EHAF Cc1cnc(C)c(Nc2nc([C@@H](N)Cc3ccc(F)cc3)cs2)n1 61905442 DUQDBXDCASKSTD-AWEZNQCLSA-N 343.431 3.675 0 3 EHAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC(C)C)c(OC)c1 777238 VMQWZZBVIPTZDA-UHFFFAOYSA-N 346.427 3.795 0 1 EHAF CCc1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 3797195 CGBTZHDMAZKXCT-LJQANCHMSA-N 346.430 3.747 0 1 EHAF Fc1cccc(OC2CCN(CCn3cc4ccccc4n3)CC2)c1 20587014 YANQEQIWWMLZSG-UHFFFAOYSA-N 339.414 3.719 0 1 EHAF O=C1C[C@H](O)C[C@H](/C=C/c2ccc(Br)c3ccccc23)O1 27878318 ZBMMHOBZFMPSQP-JOVKLMRISA-N 347.208 3.682 0 1 EHAF COc1ccc2c(c1)[C@H]1O[C@H](CN(C)C)C[C@H]1c1ccccc1O2 28524465 WTOLUTWFGQZSLB-UVFQYZLESA-N 325.408 3.976 0 1 EHAF CCOC[C@@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708144 ZZEVNYNMIVJANK-FQEVSTJZSA-N 325.452 3.748 0 1 EHAF in-vivo CCCSc1ccc2nc(NC(=O)OC)n(C(=O)OCC)c2c1 28767251 SRXVHECFQKHLIL-UHFFFAOYSA-N 337.401 3.721 0 1 EHAF Oc1ccc(-c2nc3ccccc3o2)cc1I 28964573 BXOYRDHMGRCESI-UHFFFAOYSA-N 337.116 3.805 0 1 EHAF CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](CO)N1 45496266 DIMNETMAIUHJFR-XUVXKRRUSA-N 341.536 3.730 0 1 EHAF biogenic,in-vitro Cc1cccnc1[C@@H](C)N(CCCCN)Cc1nc2ccccc2[nH]1 66076855 NJQLJSGBWOUGLN-MRXNPFEDSA-N 337.471 3.568 0 1 EHAF C[C@H](CO)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)OC(C)(C)C 95557297 RXVXPAQIOBOCFF-PXAZEXFGSA-N 330.428 3.631 0 1 EHAF CC(=O)Nc1nc(C)c(-c2cnc(Nc3ccc(Cl)nc3)o2)s1 95563820 LNVODDCNVZTONG-UHFFFAOYSA-N 349.803 3.857 0 1 EHAF COC(=O)[C@@H]1[C@H](c2ccc(-c3nccs3)cc2)C[C@H]2CC[C@H]1N2C 101062082 XUJAZHYZOMZFOS-YYIAUSFCSA-N 342.464 3.549 0 1 EHAF CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccccc1Cl 101708937 JNJLIVHWDXIUFQ-SXWSKBOKSA-N 347.806 3.608 0 1 EHAF COC(=O)[C@@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@H]2C)[C@H]2C=CC[C@H]21 195361078 KKBJCVBSAUGNEH-PDXYYMCZSA-N 328.383 3.912 0 1 EHAF CC(=O)Nc1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1 205413477 ARZRDOYPMANLDO-SFTDATJTSA-N 336.435 3.786 0 1 EHAF CC(C)CN1C[C@H]2[C@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 254042360 FDBHGSADCGAUSO-PHZGNYQRSA-N 341.282 3.557 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CCCN1CC3 586989640 NNCMUINCXZYPQB-MRXNPFEDSA-N 342.398 3.845 0 1 EHAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(CCO)cc2[nH]1 587026957 LBJHVYJGCWWOFK-UHFFFAOYSA-N 339.420 3.713 0 1 EHAF CCc1cc(OCc2nc3ccc(CCO)cc3[nH]2)ccc1Cl 587052871 QRLQHQFYNVJTHV-UHFFFAOYSA-N 330.815 3.893 0 1 EHAF COC(=O)c1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cn1 587085373 PZJMCIOWYGQGOO-UHFFFAOYSA-N 338.754 3.613 0 1 EHAF CCCCOc1cc2nc([C@@H](N)[C@H](C)F)[nH]c2cc1Br 587124794 PCEPBNWEKNNCCX-SDBXPKJASA-N 344.228 3.862 0 1 EHAF CCOC(=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 587163112 MOYZGPMAKZARGC-UHFFFAOYSA-N 340.354 3.694 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](C)COCc1ccccc1)O2 587399925 KVLUTTKEVNAUQY-LIRRHRJNSA-N 325.408 3.764 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4cccs4)on1)[C@@H](C2)C3=O 587450302 IWOIHMDPAHCLDU-BBATYDOGSA-N 339.372 3.900 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3oc(=N)[nH]c3c1)CC2=O 587473171 QRDHLGQNZUTOCJ-KRWDZBQOSA-N 338.363 3.605 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1cccnc1)CC2=O 587488207 YRVUUJXOSJFDCD-SFHVURJKSA-N 349.390 3.836 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)C[C@@H]1C)CC2=O 587488511 KJMJYJUZKWITKG-AVCJSFLBSA-N 332.396 3.570 0 1 EHAF C[C@@H]1CC2(CC[C@]13CC(=O)c1ccc4c(c1O3)CCCC4)OCCO2 587535169 JDQXRNPWLQWYMI-VLIAUNLRSA-N 342.435 3.833 0 1 EHAF Oc1nc(O)c2cc(Cc3ccc(-c4ccccc4)cc3)cnc2n1 587562344 XRJMKNSFXALOMO-UHFFFAOYSA-N 329.359 3.694 0 1 EHAF Cc1cncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587585695 GZTSWXKYJAAVRS-GHTZIAJQSA-N 347.370 3.973 0 1 EHAF C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(F)c(Cl)c12 587631789 UNFKOIQZTDAFCG-KHPVBLMWSA-N 348.805 3.951 0 1 EHAF COCC(C)(C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587788901 AJBMQOATCXVUFD-LKFCYVNXSA-N 330.241 3.836 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(CO)CC2)N1 587825367 HKPDTNFNSLNLJQ-VHTNMKBUSA-N 342.252 3.500 0 1 EHAF Cc1cc(Br)c2[nH]c(C[C@H](C)CCC(=O)O)nc2c1 587959792 AMSPAULVQSRRKI-MRVPVSSYSA-N 325.206 3.677 0 1 EHAF COc1cc(OC)cc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)c1 653679386 TZCKQDVJGNLZJD-UHFFFAOYSA-N 347.374 3.786 0 1 EHAF CC[C@@H]1CN(Cc2ccccc2C(=O)O)c2ccccc2N1C(C)=O 1857646102 DTFGOCGCZQXHFS-MRXNPFEDSA-N 338.407 3.537 0 1 EHAF Fc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cc1 2356671420 YLXZOGSJFZSDNZ-YJBOKZPZSA-N 344.361 3.706 0 1 EHAF CC(=O)N1N=C(C)C[C@@H]1c1ccccc1OCc1ccc(Cl)nc1 53298095 MEKITCRXQHGZLW-MRXNPFEDSA-N 343.814 3.983 0 1 EHAF COc1ccc(-n2c(SC)nc3sc(C)c(C)c3c2=O)cc1 28948961 YPCOOPVQTMIMSK-UHFFFAOYSA-N 332.450 3.795 0 1 EHAF Cc1cc2c(cc1C(=O)O)[C@H](C)CC[C@]1(C)[C@@H]2C[C@H](O)[C@H]1C(C)(C)O 2356595081 RVEIOVWIASKTSD-WIWLRPHFSA-N 346.467 3.832 0 1 EHAF CO[C@@]1(C)C[C@@H](c2ccccc2)c2c(c3cc(O)ccc3oc2=O)O1 27558226 BZHUMHCHTRYRMG-MGPUTAFESA-N 338.359 3.776 0 1 EHAF Oc1ccc2nc(C3CC3)n(-c3ccccc3OC(F)(F)F)c2n1 118263603 DXTFYENQTZMESI-UHFFFAOYSA-N 335.285 3.902 0 1 EHAF COc1cccc(-c2c[nH]c([C@@H](O)c3ccc(Cl)c(F)c3)n2)c1 61926384 FQIOKUUTUGVIHB-INIZCTEOSA-N 332.762 3.960 0 3 EHAF COc1cc(OC)c2c(c1)O[C](c1ccc(OC)c(OC)c1)C=C2 2356817665 DBWGTYXPRUHCOO-UHFFFAOYSA-N 327.356 3.707 0 1 EHAF COc1ccc(C[C@H](N)c2csc(Nc3ccccn3)n2)cc1 61927636 IPFLCOFWMBFIDC-AWEZNQCLSA-N 326.425 3.533 0 3 EHAF CCCOc1ccc2nc(-c3ccc(OCCOCC)cc3)cn2n1 72174791 VSWSJGYTQCKBNM-UHFFFAOYSA-N 341.411 3.600 0 1 EHAF CC(C)(O)c1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1 216021790 XHJQPVZNSHGAEF-UHFFFAOYSA-N 330.771 3.809 0 1 EHAF Cc1cccc(C)c1CNc1cc(-n2cncn2)cn2c(C)c(C)nc12 40425397 YCAMYJGGAXTJHA-UHFFFAOYSA-N 346.438 3.761 0 1 EHAF CCCCCC(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C 85997659 QXAWBWUFIGFIRO-MRXNPFEDSA-N 344.407 3.999 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)o2)N1 587826195 DENJSTRTYWUTLQ-ANRSDYALSA-N 338.176 3.617 0 1 EHAF COc1cc(OC)c2[nH]c(-c3ncoc3CCC(F)(F)F)nc2c1 587092601 SFGQYYYOLHNREH-UHFFFAOYSA-N 341.289 3.730 0 1 EHAF Nc1ncc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501039 QQKQTONKRJBFIR-MRXNPFEDSA-N 328.799 3.903 0 1 EHAF Cn1cc(-c2ncc(-c3nc4cc(Cl)cc(F)c4[nH]3)s2)cn1 587021652 NKPGANBCHYZOIY-UHFFFAOYSA-N 333.779 3.879 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cn(C)c4cc(C)ccc14)[C@@H](C2)C3=O 587431026 LONGDCUQYZBSLB-BTYIYWSLSA-N 333.387 3.984 0 1 EHAF CCOC1CC([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 587813308 UMQBVNUVCOZSBB-ARVCBEJDSA-N 342.252 3.979 0 1 EHAF C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)[C@@H]1C 587818170 CIXSPRCMHHXJHP-PIAUOXEZSA-N 340.236 3.563 0 1 EHAF O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCC1 13986843 VUHCMAVSZJDZHF-RDOIFFKNSA-N 330.516 3.582 0 1 EHAF CC(=O)[C@]12[C@@H]3[C@@H](CCN3C(=O)N[C@@H]1c1ccccc1)[C@@H]2c1ccccc1 169313519 ALNREWIJIWNNFA-SXFAUFNYSA-N 346.430 3.514 0 1 EHAF CCOc1ccc(CCNC(=O)c2cc3sccc3n2C)cc1 6804687 HDYJXDIUVZDUIQ-UHFFFAOYSA-N 328.437 3.611 0 1 EHAF CCOC(=O)[C@H]1Nc2c(F)cc(C)cc2[C@H]2c3ccccc3C[C@H]12 15952464 NVUWQTLUUFNIEY-WDYCEAGBSA-N 325.383 3.796 0 1 EHAF CCCc1c(OCc2ccc(C(=O)O)cc2)ccc(C(C)=O)c1O 27898585 AJEIZQFXOOTMAN-UHFFFAOYSA-N 328.364 3.825 0 1 EHAF CCOc1cc2c(cc1O)CC(=O)C[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 34512459 SOIPLRPHJHQQGL-WVEMUNHJSA-N 344.451 3.577 0 1 EHAF O=C1CS[C@H](CC23CC4CC(CC(C4)C2)C3)N1CCN1CCCC1 40403092 CBGRVLYOCQGMOP-OFGIBPIPSA-N 348.556 3.590 0 1 EHAF COc1ccc(CN2CC[C@@H](c3nc4ccc(OC)cc4[nH]3)C2)cc1 51076761 BSTCSZGDUUMUMN-OAHLLOKOSA-N 337.423 3.570 0 1 EHAF biogenic COc1ccccc1N1C(=O)[C@H]2[C@@H]3C[C@H](c4ccccc4)[C@H](C3)[C@@H]2C1=O 195452667 DFGBJOCJIRNYHE-ZGMAETJZSA-N 347.414 3.624 0 1 EHAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@](C)(O)[C@@]12C 238738357 KGZOYCGNWWQQRH-WEENABNJSA-N 346.423 3.892 0 1 EHAF COc1cc([C@@H](c2ccc3c(c2)OCO3)[C@H](C)[C@H](C)CO)ccc1O 238763296 DNPGVSQCZNOFIU-IZDJOXEWSA-N 344.407 3.526 0 1 EHAF Cc1nc2nc(-c3ccc(CN=O)cc3)[nH]c2cc1Br 587191364 YUHJBEYUKKCDMH-UHFFFAOYSA-N 331.173 3.962 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCCOc4cc(F)ccc41)[C@@H](C2)C3=O 587430251 ZSUQXVAUXZLZNQ-MGPUTAFESA-N 340.350 3.650 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1nccnc1Cl)CC2=O 587463012 UHRLMUQQPACOLM-QGZVFWFLSA-N 332.787 3.669 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](CC(=O)O)[C@H]1C)CC2=O 587488467 JGMSMZBIEJFIPI-HNYWDRBLSA-N 332.396 3.570 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](CCCCC1OCCO1)CC2=O 587493127 SCOWBQIRQVLDJK-CYBMUJFWSA-N 334.412 3.612 0 1 EHAF O=C1C[C@](CO)(c2c[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587521471 CGVSQFMZEIRZHN-QFIPXVFZSA-N 347.414 3.900 0 1 EHAF O=C1C[C@]2(CCOC3(CCOCC3)C2)Oc2c1ccc1c2CCCC1 587530040 AQQQOFCSMBGBQZ-NRFANRHFSA-N 342.435 3.629 0 1 EHAF CCn1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587578033 PQQVMAMXAKYTFK-YLJYHZDGSA-N 335.359 3.917 0 1 EHAF COC[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597133 SKQPYBBZINLMHK-XLIONFOSSA-N 342.391 3.785 0 1 EHAF Cc1oncc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799532 ZUPCAGGJPZEKGG-VXJOIVPMSA-N 339.208 3.682 0 1 EHAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sn1 587854067 BJKJOENPEQYBKF-NXSYQRQQSA-N 341.249 3.977 0 1 EHAF CO[C@H](C)COC1CCC(c2nc3cc4cn[nH]c4cc3[nH]2)CC1 587951573 HICDNXVLHHZQPI-LKSINWNRSA-N 328.416 3.517 0 1 EHAF N=c1[nH]cc2nc(CCCCCCCCCCCCC(=O)O)nc-2[nH]1 587957840 XADGERNSPJXODP-UHFFFAOYSA-N 347.463 3.635 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCC3=C2CCC(=O)N3)N1 962955140 RUZRTBLJYIOSIB-YEJXKQKISA-N 335.451 3.636 0 1 EHAF Cc1cccc(C)c1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963237811 UWHXQPPIXYLUNY-QUCCMNQESA-N 332.403 3.540 0 1 EHAF Cc1cn(-c2cccc3ccccc23)cc1C(=O)N1CCC(CO)CC1 1772577070 OMVGYHOHWPHOAT-UHFFFAOYSA-N 348.446 3.783 0 1 EHAF [C-]#[N+]c1ccc2c(c1)[C@@]1(N=C(C)C(N)=N1)[C@]1(CC[C@H](OC)[C@@H](C)C1)C2 1772612537 CSFWMJVQCPORFV-BRUFTZQQSA-N 336.439 3.599 0 1 EHAF CCNC(=O)c1cc2c(N3CCC[C@@H]3c3ccccc3)ccnc2[nH]1 1772630095 DIMZYPVLXAPCDZ-QGZVFWFLSA-N 334.423 3.654 0 1 EHAF Oc1ccc2[nH]c(-c3cccc(N4CCc5ccccc5C4)n3)nc2c1 1857560635 BSPUWGRPHLVNSE-UHFFFAOYSA-N 342.402 3.893 0 1 EHAF CO[C@@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O 2356482093 DRGAKKLILXXLIA-MSOLQXFVSA-N 346.508 3.901 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@@H](O)c3c(C)coc3C(=O)[C@@H]12 2356594131 JSAITVSNDUGDOQ-TVIPWVBUSA-N 346.423 3.748 0 1 EHAF O=c1c2cccnc2c(-c2cccc(Cl)c2)nn1Cc1ccncc1 8516 COLQUUDNEIJASV-UHFFFAOYSA-N 348.793 3.555 0 1 EHAF in-vivo COc1cccc(N2C(=S)N[C@@H]3c4ccccc4O[C@@]2(C)[C@H]3C)c1 428826 HCSCSPICAIPJDM-KHDYIWLOSA-N 340.448 3.876 0 1 EHAF O=C(O)c1c(-c2ccc(Br)cc2)oc2ccccc2c1=O 13820352 ZYVUTWQUOQMPCM-UHFFFAOYSA-N 345.148 3.921 0 1 EHAF CN(C)CCCOc1cc(-c2ccccc2)n(Cc2ccccc2)n1 13861427 YNPMSPBFUJEJNL-UHFFFAOYSA-N 335.451 3.929 0 1 EHAF CS(=O)(=O)c1nc(-c2cccc(Cl)c2)c(-c2ccccc2)[nH]1 28221617 LWRWEAMTXVIDIA-UHFFFAOYSA-N 332.812 3.801 0 1 EHAF Cc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O 34804091 ZAPMEPOQUZJTEJ-UHFFFAOYSA-N 342.354 3.886 0 1 EHAF CC[C@@H](O)/C=C/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)O 34961907 ZPAJZAMPZXISSE-SIPVSCHGSA-N 332.440 3.951 0 1 EHAF in-vitro CC[C@@]1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2O1 96906006 LBKFHZJTQVZXBJ-HXUWFJFHSA-N 330.391 3.504 0 1 EHAF Cc1ccn(C[C@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 101433113 VUEZBOYAXGKAME-DLBZAZTESA-N 336.266 3.820 0 1 EHAF O=Cc1cc(-c2cccc(C(=O)NCc3ccccc3)c2)ccc1O 144866989 AGDNIICUNPJAJY-UHFFFAOYSA-N 331.371 3.802 0 1 EHAF COc1cc(N[C@@H](C)CCCN[C@@H](C)CCCN)c2ncccc2c1 169321316 FTNBXWGPFWOFNL-HOTGVXAUSA-N 344.503 3.541 0 1 EHAF CSc1ccc([C@@H]2NC(=O)N=C(C)[C@@H]2C(=O)OC2CCCC2)cc1 169719575 HYLLFLYEXAQCCC-HOTGVXAUSA-N 346.452 3.736 0 1 EHAF COc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cn1 587017815 PYVWKAJJLULPRP-UHFFFAOYSA-N 343.799 3.805 0 1 EHAF Cc1ccc2c(ccc3nc(-c4cnc(-c5cnn(C)c5)s4)[nH]c32)n1 587021157 FXVLBDXYEMARAD-UHFFFAOYSA-N 346.419 3.944 0 1 EHAF Cn1cc(-c2ncc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)s2)cn1 587021767 OUBKXFBCFAOAMR-UHFFFAOYSA-N 338.440 3.779 0 1 EHAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(O)nccc2[nH]1 587077507 ZVGAHHSAAFVHOK-UHFFFAOYSA-N 338.754 3.752 0 1 EHAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(F)c(F)cc2[nH]1 587174912 NWXPFBFYYDAASE-CYBMUJFWSA-N 330.313 3.704 0 1 EHAF O=C(NCCc1cnc2cccc3c2c1CC3)OCc1ccccc1 587214367 YNSJESOJDAWACH-UHFFFAOYSA-N 332.403 3.802 0 1 EHAF COc1ccccc1Nc1ccccc1-c1nc2cc[nH]c(=N)c2[nH]1 587240165 GLSLAWMMNZDZJF-UHFFFAOYSA-N 331.379 3.790 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](N=O)[C@@H]2CC[C@@]1(C)C2(C)C 587386357 INTUQTLNVGUJQD-DMBMUNPASA-N 328.412 3.872 0 1 EHAF COc1ccc(C[C@@H](C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587403257 LLIHEUQNTQYSNU-YJYMSZOUSA-N 325.408 3.798 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1coc4ccc(C)cc4c1=O)[C@@H](C2)C3=O 587453343 NWGDUGUYGBTWTP-QKKBWIMNSA-N 348.354 3.599 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccnn1[C@@H](C)OCC)CC2=O 587479911 VIBWZCACPXJAHI-KZULUSFZSA-N 344.411 3.803 0 1 EHAF Cc1ccc(C)c(NC(=S)n2ncc3ccc(Cl)cc3c2=O)c1 587653445 AEMWZAZMBLYRLE-UHFFFAOYSA-N 343.839 3.912 0 1 EHAF Cc1scnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587851885 DAPGGZQOJDUONP-WJWGPLDTSA-N 341.249 3.977 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cncnc1 587866163 WLMHRVKIYCSWQP-UHFFFAOYSA-N 348.328 3.806 0 1 EHAF CN(C)c1ccc(-c2cnc3cnc(-c4ccc(CO)cc4)cn23)cc1 653682837 LXVYMKVFPWMXLO-UHFFFAOYSA-N 344.418 3.622 0 1 EHAF Cc1cc2c(cc1F)[C@@](C)(c1cccnc1Br)NCC2 962373841 KBLRICBVSDVFMC-MRXNPFEDSA-N 335.220 3.701 0 1 EHAF C[C@@]1(C2CCOCC2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962696645 AIYPZJHZTCZOJV-DNVCBOLYSA-N 335.488 3.831 0 1 EHAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cccn1C[C@H]1CCCO1 963259029 QRRPXULASOGEPQ-BFUOFWGJSA-N 346.858 3.564 0 1 EHAF CSc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)OCO3)cc1 1772609771 ITUPCOWNHORMGY-QGZVFWFLSA-N 345.445 3.916 0 1 EHAF CC(C)(Cl)[C@@H](O)CCOc1c2ccoc2cc2oc(=O)ccc12 2356500566 YAXURPLQFBFYFN-AWEZNQCLSA-N 336.771 3.686 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C=C(C)[C@]2(C)CCC(=O)C[C@@H]2[C@]1(O)C(C)C 2356589717 PWPPAEVQZGIEJV-KVPLUYHFSA-N 334.456 3.587 0 1 EHAF O=C(NC1CCCCCC1)c1nnc(Cc2ccc(Cl)cc2)o1 4928523 QNGFQVRCWMOROG-UHFFFAOYSA-N 333.819 3.766 0 3 EHAF CC[C@H](C)N1C(=O)c2ccccc2[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 4134231 AZFAKNIDWIODHW-QERJWTBHSA-N 342.483 3.923 0 1 EHAF CN(c1ccncc1)c1nc(Cl)nc2c1ncn2C1CCCC1 26580024 KTXKQHPCKBAHPX-UHFFFAOYSA-N 328.807 3.758 0 1 EHAF O=C1CC2(CCCC2)C(=O)N1OCc1ccc(Cl)cc1Cl 27103909 SMSQOHGYHCGIID-UHFFFAOYSA-N 328.195 3.744 0 1 EHAF COCn1c([C@@](C)(O)C(F)(F)F)nc2cc(Cl)c(Cl)cc21 28817573 KZIAJOZBNJNOMM-LLVKDONJSA-N 343.132 3.717 0 1 EHAF C/C(=C\C(=O)O)CC[C@H]1[C@@]2(C)CCC[C@@](C)(CO)[C@@H]2CC[C@@]1(C)O 36378670 IYSBWLRXTOIYFZ-ACDYRWRESA-N 338.488 3.764 0 1 EHAF Cc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)n1 49048176 YTSOGXFXRZWWEO-GFCCVEGCSA-N 332.835 3.932 0 1 EHAF Fc1ccccc1N1CCN(CCCn2ccc3ccccc32)CC1 89455153 OCUNZTRMTHXIHS-UHFFFAOYSA-N 337.442 3.993 0 1 EHAF O=C([C@H](Cc1ccccc1)c1ccccc1)N1CCN2CCCC[C@@H]2C1 95554695 KDGYKSGVNUMKPP-FGZHOGPDSA-N 348.490 3.710 0 1 EHAF C[C@@H]1N(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2C1(C)C 101228532 UBPBFBKREDKMOB-BPUTZDHNSA-N 327.472 3.508 0 1 EHAF Cn1c(-c2ccccc2)nc2cc(C(=O)Nc3cccnc3)ccc21 103265232 ZMTGLPRTNGYFNR-UHFFFAOYSA-N 328.375 3.888 0 1 EHAF C/C(=C\C(=O)O)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C 238743564 ZQBRPFALTAJQEA-PFIPCELDSA-N 336.472 3.540 0 1 EHAF NC(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896503 MZISPBFUJFUWEL-UHFFFAOYSA-N 329.359 3.701 0 1 EHAF Cc1nc(Br)sc1-c1nc2cncc(Cl)c2[nH]1 587011761 RBTMWXSZOXIDKS-UHFFFAOYSA-N 329.610 3.806 0 1 EHAF CCO[C@H](C)c1nc(C)c(-c2nc3cc4cn[nH]c4cc3[nH]2)s1 587014704 OYXXGAPMBAZFQE-SECBINFHSA-N 327.413 3.969 0 1 EHAF COc1c(F)cc(-c2nc3ccc(Br)nc3[nH]2)cc1F 587134197 BEWSMKDPNMCQFZ-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@H]2C1)CC5 587211256 BTGBIYQDDGERJU-HIFRSBDPSA-N 336.435 3.840 0 1 EHAF Cc1cc(Br)c2[nH]c(-c3cccc(NC(N)=O)c3)nc2c1 587242012 LHXZXBSNHNLTGD-UHFFFAOYSA-N 345.200 3.791 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccn3)s1)O2 587413019 LGGLIWHDJNVSSH-OAHLLOKOSA-N 337.404 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)O)ccc1F)CC2=O 587465521 FLENCARDRNLDTA-QGZVFWFLSA-N 344.338 3.889 0 1 EHAF Cc1cccc(OCc2nc3ccc(Br)nc3[nH]2)c1C 587564534 VKNCDKUFGLHGJY-UHFFFAOYSA-N 332.201 3.916 0 1 EHAF C=Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587582981 SHPPGKXDCBGAFG-PXNSSMCTSA-N 348.358 3.701 0 1 EHAF Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587609763 DEWITPJYURHKPI-PBHICJAKSA-N 339.372 3.860 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccncc2)N1 587776448 CUPHMRYPPXRRFD-APPDUMDISA-N 349.247 3.975 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCCO)N1 587827454 PBHHKBUHOPEBSS-BMIGLBTASA-N 330.241 3.500 0 1 EHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(F)cc4[nH]1)(C3)C2 587951329 SOHPPAPGPPFRFG-NFAYLAGKSA-N 328.387 3.856 0 1 EHAF COc1ccc2c(c1OC)[C@@](C)(Cc1ncccc1C)N(C)[C@H](C)C2 962571997 PMGPDIMCRQJDHJ-QVKFZJNVSA-N 340.467 3.742 0 1 EHAF Fc1ccc([C@@H]2NCCc3cccc(Cl)c32)cc1N1CCOCC1 963391234 QRJYXEPEVHYLHY-IBGZPJMESA-N 346.833 3.551 0 1 EHAF O=C(Nc1ccc2c(c1)OCO2)[C@H](c1ccccc1)N1CCCCC1 3742104 HYDMHCCEMFFYQZ-IBGZPJMESA-N 338.407 3.581 0 3 EHAF CCCCNC(=O)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 203475230 FZOAFXNFDTZXQH-UHFFFAOYSA-N 334.851 3.905 0 3 EHAF CCCc1c(O)cc2oc3cc(Cl)c(Cl)n3c(=O)c2c1O 24427 JBMMFRMEXIGBPM-UHFFFAOYSA-N 328.151 3.716 0 1 EHAF biogenic O=C(O)Cc1nn(Cc2nc3ccccc3o2)c2ccc(Cl)cc12 13650638 QGRXSXAZBNZZLT-UHFFFAOYSA-N 341.754 3.506 0 1 EHAF Cc1ccsc1CN1CCc2nc(N3CCC(C)CC3)ncc2C1 21640271 QGJXDMJYQQUTMR-UHFFFAOYSA-N 342.512 3.641 0 1 EHAF O[C@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)c1cncnc1 28768233 RFFUZOIHRIEKIC-QGZVFWFLSA-N 330.309 3.780 0 1 EHAF COc1cccc(-c2cncnc2N2CCC(c3[nH]cnc3C)CC2)c1 36176444 PWLOHJCSBUHAHZ-UHFFFAOYSA-N 349.438 3.568 0 1 EHAF Cc1ccc(Nc2nccc(NC[C@@H](O)c3cccc(F)c3)n2)cc1 45195307 NLHQWAJPELMIKN-QGZVFWFLSA-N 338.386 3.813 0 1 EHAF O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)CC1CCCC1 45354906 DAWLMNIGMMWMQH-KRWDZBQOSA-N 348.874 3.528 0 1 EHAF COC(=O)c1ccc(OC)c2oc(C(=O)Nc3cccc(F)c3)cc12 45355328 XNMZUZJOOTWZGL-UHFFFAOYSA-N 343.310 3.619 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C\C(N)=O 58638878 CRCRHJZVUKINHV-SOUDZHHVSA-N 329.484 3.722 0 1 EHAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)c1ccccc1Cl)C2 101324005 YMMWPMZCOBVCJT-ZDUSSCGKSA-N 330.767 3.595 0 1 EHAF CC(=O)NCCN(C)c1cccc(OCCCCc2ccccc2)c1 141331325 VJIVACBGAAEDPS-UHFFFAOYSA-N 340.467 3.661 0 1 EHAF in-vitro Nc1nc(Cc2ccc(Cl)cc2)nc2cn(-c3ccccc3)nc12 299828519 NJNQGDHKEDOGFB-UHFFFAOYSA-N 335.798 3.642 0 1 EHAF CCOC(=O)c1ccc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 586884919 BHYAFOJMZNYAIT-ACJLOTCBSA-N 338.407 3.885 0 1 EHAF [O-][n+]1ccccc1SCc1nc2cccc(C(F)(F)F)c2[nH]1 586969428 KSTUYUJDXIQNFQ-UHFFFAOYSA-N 325.315 3.507 0 1 EHAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cncc(Cl)c2[nH]1 587115786 AUPWAHGOTFBWEV-UHFFFAOYSA-N 336.104 3.684 0 1 EHAF Nc1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cnc2c(F)cccc12 587176510 OAVPANACAFQZLL-UHFFFAOYSA-N 347.275 3.913 0 1 EHAF CC(=O)N[C@H](Cc1nc2ccc(F)c(F)c2[nH]1)c1ccc(C)cc1 587205811 FTPZARFKZJOHGO-OAHLLOKOSA-N 329.350 3.569 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC1(CC3)OCCO1 587209168 LVMHSGRTMMJHOY-UHFFFAOYSA-N 343.382 3.678 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(C)c1O)[C@@H](C2)C3=O 587417255 AZCPXFWHZCXYEB-SGTLLEGYSA-N 330.767 3.851 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CC(C)(C)O4)[C@@H](C2)C3=O 587455030 HSVDIRLGYODOSO-MGPUTAFESA-N 336.387 3.897 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](COC2CCC2)N1 587811086 MPDOTBSXFBLARR-BJOHPYRUSA-N 328.225 3.733 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCOC2)N1 587834660 MFDFGBULLALEEB-VPJDZLOFSA-N 328.225 3.590 0 1 EHAF COc1cc2nc(CCCc3ccc(OC)c(OC)c3)[nH]c2cc1F 587926208 VCBODGJINVEGBQ-UHFFFAOYSA-N 344.386 3.903 0 1 EHAF OC12C[C@H]3C[C@@H](C1)CC(NCc1cc(-c4cccs4)on1)(C3)C2 653710318 UFNOKMIKHZIJJK-NLKGSNSHSA-N 330.453 3.576 0 1 EHAF C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O 5573704 HMAABAHMPJEWDJ-KQFONWOYSA-N 342.391 3.564 0 1 EHAF C[C@H]1CCC[C@H](NC(=O)COC(=O)CCSc2ccccc2)[C@@H]1C 7140931 SDPZJIKOBPYHLQ-UXLLHSPISA-N 349.496 3.653 0 1 EHAF COc1ccc([C@H]2CCN(C(=O)NC(C)C)C2)cc1OC1CCCC1 13741111 IOXKIBBGEDVYST-INIZCTEOSA-N 346.471 3.924 0 1 EHAF CC[C@@H](SC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl 26499852 NEVMXGDLGIPGER-SECBINFHSA-N 337.224 3.781 0 1 EHAF Nc1ccc(SCCCN2CCN(c3ccc(F)cc3)CC2)cc1 28886813 COTSIQPOCPVDHT-UHFFFAOYSA-N 345.487 3.712 0 1 EHAF CCOC(=O)C1=C(C)/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C 40577211 XDSJHEMHUAKUBW-ZROIWOOFSA-N 339.395 3.713 0 1 EHAF C[C@H]1CCCc2c1nc1sc(C(N)=O)c(N)c1c2-c1ccco1 49072084 XVGQABLVENFIIP-QMMMGPOBSA-N 327.409 3.677 0 1 EHAF COc1cc(CNCc2coc(-c3cccc(F)c3)n2)cc(OC)c1 72100885 XZEXPHISWVUFGT-UHFFFAOYSA-N 342.370 3.788 0 1 EHAF Fc1cccc(Cl)c1CCOc1ccc(-c2ccccn2)nn1 72123523 DJWMFBPJTTYTOG-UHFFFAOYSA-N 329.762 3.953 0 1 EHAF CCCCNc1ncc(C(=O)N2CCCC2)c(-c2ccc(F)cc2)n1 82139701 RWJYLTQLWVDNCL-UHFFFAOYSA-N 342.418 3.731 0 1 EHAF C[C@H](N[C@@H](C(=O)O)[C@H](C)C(=O)c1ccc(Cl)cc1)c1ccccc1 84602709 OBJFJILBNZTBRI-GDZNZVCISA-N 345.826 3.963 0 1 EHAF Nc1cccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 96905866 XZCNLHMGOOGILZ-DHDCSXOGSA-N 328.368 3.644 0 1 EHAF c1ccc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccncc3)cc2)cc1 100106469 YTKXGOHYQXREHC-JKHIJQBDSA-N 341.458 3.688 0 1 EHAF CC(C)=CCC/C(C)=C/CNCCN[C@H]1C2C[C@@H]3C[C@@H](C2)CC1(O)C3 101864978 PHCHTNGLBGGCLS-QNZPQZOHSA-N 346.559 3.798 0 1 EHAF C[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](O)[C@@]2(C)OC[C@]13C[C@@H](O)c1ccoc1 238783016 XSXRCGLVXINEJT-NHGVGGNESA-N 334.456 3.686 0 1 EHAF O=C(c1ccccc1)c1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1 586893408 VYDJREQOKUBNCO-FQEVSTJZSA-N 344.370 3.581 0 1 EHAF FC(F)(F)c1nc(Cl)[nH]c2nc(C(F)(F)c3ccccn3)nc1-2 587089684 GCZZOIZYTKNMQV-UHFFFAOYSA-N 349.650 3.512 0 1 EHAF C[C@]1(c2nc3cc(F)cc(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175342 YJZYYBZIRAMHCQ-QGZVFWFLSA-N 332.281 3.609 0 1 EHAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)ncc2[nH]1 587195439 KIRVZRWIKXYPOF-JTQLQIEISA-N 345.244 3.938 0 1 EHAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(F)cnc2[nH]1)C(C)(C)C 587202853 BZYYAOUBDPPTLH-LBPRGKRZSA-N 336.411 3.579 0 1 EHAF CC(=O)c1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)nc1C 587394533 XFQGYFLOUKFUGY-HXUWFJFHSA-N 338.407 3.672 0 1 EHAF Cc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407327 IHMQXQPLOWNSMQ-FQEVSTJZSA-N 339.391 3.611 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(C)(C)O)cc1)[C@@H](C2)C3=O 587453592 ZOFYJLZGPOCCMU-HRAATJIYSA-N 338.403 3.585 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC[C@H]1CCOC1 587619812 ZLQULOGJNOXWEA-OWQGQXMQSA-N 340.375 3.539 0 1 EHAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c(S)nc(S)nc2[nH]1 587952952 YDVZOKNIHVVLNY-GUBZILKMSA-N 338.502 3.977 0 1 EHAF Cc1nc2nc(C(=O)CCc3ccccc3)[nH]c2cc1Br 587953019 CUVINMDIZRZHPW-UHFFFAOYSA-N 344.212 3.844 0 1 EHAF Cc1ccnc2c1CCN[C@@]2(C)c1cnc(Nc2ccccc2)s1 963078535 YBERYABIWVUJEC-IBGZPJMESA-N 336.464 3.999 0 1 EHAF CCCN1[C@@H](C)Cc2ccccc2[C@]12CCCc1sc(N)nc12 963233420 UCIKNQWDRPFSRK-DJJJIMSYSA-N 327.497 3.962 0 1 EHAF Cc1cc([C@H](CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl 1857604324 KAYDCNXQTQFWMU-ZDUSSCGKSA-N 329.787 3.537 0 1 EHAF CC1=C[C@@H]2OC(=O)C(C)=C2CCC(C)=CCC[C@@](C)(O)C(=O)CC1 2356330912 WFFGMWPCPCUPGU-FXAWDEMLSA-N 332.440 3.795 0 1 EHAF Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cc(C(C)C)n[nH]2)C1 11664015 PLAQKQHDPRQZQQ-AWEZNQCLSA-N 331.485 3.998 0 3 EHAF COc1ccc2cc3cc(C(=O)NCc4ccccn4)sc3nc2c1 417626 WLQZWTCHTHDZCB-UHFFFAOYSA-N 349.415 3.783 0 1 EHAF O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2CCc2ccccc21 2017822 DYANBEYXYZKCOS-NRFANRHFSA-N 347.458 3.555 0 1 EHAF CO[C@@H]1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)O1 13472034 BTBOOSJKGKNIKI-NRFANRHFSA-N 337.463 3.766 0 1 EHAF CN(C)CCCN1C(S)=Nc2ccccc2[C@@H]1c1ccccc1 13553540 MPIPDNRBGAZLIO-SFHVURJKSA-N 325.481 3.961 0 1 EHAF CN(C(=O)C1(c2ccccc2)CC1)[C@@H]1CCCC[C@H]1N1CCCC1 26833930 MGMPZCNAKUKYJV-RTBURBONSA-N 326.484 3.584 0 1 EHAF OC[C@@H]1CC[C@H](n2cnc3c(NC4CCCCCCC4)ccnc32)O1 27321866 BCAXASVAFZIQDJ-DOTOQJQBSA-N 344.459 3.626 0 1 EHAF C/C(=C\CSC[C@@H](N)C(=O)O)CC/C=C(\C)CNc1ccccc1 33917569 HIBWUMRSDSPMOM-BXZGNENOSA-N 348.512 3.916 0 1 EHAF CN1CCCc2ccc(NC(=O)c3cnc(-c4ccccc4)cn3)cc21 40568356 RXVAQVNINAOVHR-UHFFFAOYSA-N 344.418 3.778 0 1 EHAF COc1cc2nncc(-c3ccc(NCC4CC4)nc3)c2cc1OC 73310896 UPRKNLAMELENOC-UHFFFAOYSA-N 336.395 3.531 0 1 EHAF Cc1c(Br)cc2nc(C[S@](=O)CC3CC3)[nH]c2c1C 586958915 KBPAIYKVNZOVRZ-LJQANCHMSA-N 341.274 3.601 0 1 EHAF Cc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2n1 587017720 PRAVRIXQMDGVMN-UHFFFAOYSA-N 334.404 3.992 0 1 EHAF Oc1nc(NCc2ccccc2)c2nc(/C=C\c3ccsc3)nc-2[nH]1 587025581 LNPOCGBEIHJAGS-SREVYHEPSA-N 349.419 3.854 0 1 EHAF COc1nccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 587068651 DHWLFGSVQQNAQU-JTQLQIEISA-N 329.787 3.996 0 1 EHAF COC(=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2n1 587098646 WCXFCMSXJMLOHS-UHFFFAOYSA-N 339.248 3.569 0 1 EHAF CCS(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2c1 587167953 BAPQSNJINUWAGW-LLVKDONJSA-N 348.399 3.636 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)cnc1Cl)[C@@H](C2)C3=O 587429883 XIZZLBWYULTUEP-APPDUMDISA-N 333.746 3.546 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c(C)c1C=O)CC2=O 587480570 DBZVJDXQHVGISS-QGZVFWFLSA-N 327.380 3.809 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ncc(COC)s1)CC2=O 587495886 QHYMXQZPIMVLOL-HNNXBMFYSA-N 333.409 3.654 0 1 EHAF CC(=O)Nc1ncccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514888 XILVVPHCJJEMMI-GOSISDBHSA-N 336.391 3.625 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC3(CSC3)C2)N1 587858093 XWFLJPANEIFDJL-VIFPVBQESA-N 342.277 3.845 0 1 EHAF COC(=O)c1ccc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2c1 587933970 BYCVKUPWYAVKGL-UHFFFAOYSA-N 348.402 3.930 0 1 EHAF COc1cccc2cc3c(nc12)[C@@H](c1ccnc(Cl)c1F)NCC3 963062479 DFFNWFRTVFGECK-QGZVFWFLSA-N 343.789 3.666 0 1 EHAF CCOC(=O)[C@@](C)(CC)[C@@]1(C)NCCc2c(OC)ccc(Cl)c21 963256485 CPHFYCAQKHGHIL-MSOLQXFVSA-N 339.863 3.689 0 1 EHAF CC(=O)c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)s1 1772570716 DDBRAVGCADATRB-UHFFFAOYSA-N 348.855 3.567 0 1 EHAF Cc1nc2nccnc2cc1NC(=O)c1cccc(C(F)(F)F)c1 1772601532 YKAACXPBEOWONS-UHFFFAOYSA-N 332.285 3.604 0 1 EHAF CCOC(=O)[C@H]1CON(c2ccccc2)[C@H]1c1c[nH]c2ccccc12 1857768593 WNWHZYNDYRHBGY-HKUYNNGSSA-N 336.391 3.840 0 1 EHAF COP(=O)(OC)[C@@H](Nc1ccc(C(=O)O)cc1)c1ccccc1 3092821 WHQFKVXQCJGLRI-OAHLLOKOSA-N 335.296 3.981 0 3 EHAF Oc1ccc(C[C@H]2CNCCN2CCCCC2CCCCC2)cc1 61711181 NKLGHVMBNHXNNG-FQEVSTJZSA-N 330.516 3.959 0 3 EHAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 2159041 XHCCPSKYYJBSAA-NGLUYZBTSA-N 332.484 3.774 0 1 EHAF biogenic COc1c(OC/C=C(\C)C/C=C/C(C)(C)O)ccc2ccc(=O)oc12 13481641 HAXANHARRBCLKV-IVLLVJITSA-N 344.407 3.844 0 1 EHAF biogenic,in-vitro O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2cnncc12 13608747 WPQGCGARFKXKPM-UHFFFAOYSA-N 346.312 3.970 0 1 EHAF CN1CCN([C@@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 22452134 YQXNPUPTPJOJOV-OAHLLOKOSA-N 333.888 3.595 0 1 EHAF CC1([C@H]2Cc3cc(C[C@H]4SC(=O)NC4=O)ccc3O2)CCCCC1 26953192 ZLMTUWOFDPKKQN-HZPDHXFCSA-N 345.464 3.855 0 1 EHAF CCn1ccc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 28710791 SGMNXUMTQXRVFJ-UHFFFAOYSA-N 339.391 3.918 0 1 EHAF CCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1OC 28956588 ZFZQGFLAGUYPLE-UHFFFAOYSA-N 333.771 3.778 0 1 EHAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccccc3O[C@@H]1CS2 29338197 KAHQIOSVQJINPO-WBVHZDCISA-N 328.389 3.537 0 1 EHAF O=C(C1=N[C@H](c2c[nH]c3ccccc23)CN1)c1c[nH]c2ccccc12 40792215 UUMCZZRLMTYDAM-SFHVURJKSA-N 328.375 3.575 0 1 EHAF biogenic CCCCCCOC(=O)C1=NO[C@@H](CCCC[C@@H]2CCC(=O)O2)C1 40955280 RYUJHDWBLOLTGH-CABCVRRESA-N 339.432 3.521 0 1 EHAF O=C(O)c1cn(C/C=C/c2ccc(F)cc2)c2c(F)cccc2c1=O 71341790 MDZGGIZTYXJIAT-NSCUHMNNSA-N 341.313 3.691 0 1 EHAF CO[C@@H]1Cc2cscc2C2(CCN(Cc3ccccc3)CC2)O1 95555232 MTQXYAORFFNTQM-SFHVURJKSA-N 329.465 3.785 0 1 EHAF COc1ccc2nc(NC(=O)Nc3ccc(C(=O)O)cc3)sc2c1 113318238 JQVDIXVWRCVRPK-UHFFFAOYSA-N 343.364 3.647 0 1 EHAF Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2O)cc1 117588598 MAWYXIGQAQBGIW-UHFFFAOYSA-N 340.423 3.630 0 1 EHAF O=C(Nc1ccc(Cl)cc1)Nc1ccc([C@H]2CNCCO2)cc1 117730336 ZFNTZNCSFXKOJQ-MRXNPFEDSA-N 331.803 3.645 0 1 EHAF COC(=O)c1ccc(NCc2c(-c3cccc(F)c3)noc2C)nc1 143252510 ZWNUJXOSULXADN-UHFFFAOYSA-N 341.342 3.583 0 1 EHAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccccc1 169728420 GPCICTPUAJXVQX-MSOLQXFVSA-N 325.408 3.677 0 1 EHAF CCNC(=O)Nc1nc(/C=C/c2cccnc2)c(-c2ccc[nH]2)s1 263620681 KXSSNSOHTLLWNT-BQYQJAHWSA-N 339.424 3.845 0 1 EHAF in-vitro Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccnc(Br)c3[nH]2)cc1 586888019 KAQDTTHVWBOJAO-QMTHXVAHSA-N 346.228 3.866 0 1 EHAF CCOC(=O)c1ccc2nc(-c3ncccc3C(F)(F)F)[nH]c2c1 587109075 RNDXSOYYQRLWBN-UHFFFAOYSA-N 335.285 3.820 0 1 EHAF Cc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587147600 AEBMCKJUDIXIGF-CYBMUJFWSA-N 341.361 3.666 0 1 EHAF CN(C)CCOc1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587162627 XTPBLQQGRSAVCK-SJORKVTESA-N 339.414 3.914 0 1 EHAF COC(=O)c1cc2[nH]c([C@@H](C)Oc3ccc(F)cc3)nc2cc1OC 587168939 OHNZPXBPKSGKKU-SNVBAGLBSA-N 344.342 3.637 0 1 EHAF Cc1c(Br)cc2nc(Cc3cccnc3N)[nH]c2c1C 587255080 XMZAUSPYNGHUIP-UHFFFAOYSA-N 331.217 3.510 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccccc3)n(C)n1)O2 587391948 PMQBFTJGSPRNNK-IBGZPJMESA-N 333.391 3.684 0 1 EHAF COc1ccc2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 587394815 JXSIPMKRIWNUPJ-IBGZPJMESA-N 334.375 3.841 0 1 EHAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)cc1OC 587397833 BHGAHBRBJDRFSC-KRWDZBQOSA-N 341.407 3.999 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)nc1)[C@@H](C2)C3=O 587421983 MXGVWHGDJOQVCZ-YVEFUNNKSA-N 349.308 3.772 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4cc(F)ccc14)[C@@H](C2)C3=O 587430102 YCKVDIOVWSUFNB-VBKZILBWSA-N 337.350 3.978 0 1 EHAF O=C(O)CCC(=O)Nc1c(-c2ccccc2)[nH]c2cccc(F)c12 587635448 LSQXBIPPMUMULJ-UHFFFAOYSA-N 326.327 3.777 0 1 EHAF CCCCc1c(-c2cn(C)nc2C)[nH]c2ccc(S(C)(=O)=O)cc12 587649883 DHSLWXANSOCDQL-UHFFFAOYSA-N 345.468 3.623 0 1 EHAF Cc1cccnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587767430 APCUUQCREUKVGO-QFYYESIMSA-N 335.220 3.915 0 1 EHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 587787415 VJCGTRJQEXDGLG-NEPJUHHUSA-N 327.771 3.555 0 1 EHAF CC[C@@H]1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587823029 OAJICEZRRYPEMI-YNHOBRIKSA-N 340.236 3.707 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C)c(N)c1 587870533 LROHVDUHXVVWFF-UHFFFAOYSA-N 339.370 3.667 0 1 EHAF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(OC)c2ccccc12 621475491 KHJUGDDTOCRYRN-CFBLSMTOSA-N 342.420 3.655 0 1 EHAF CC(C)(C)n1nnc2c1CC[C@H](c1nc(C3CCCCC3)no1)C2 653751563 WWNTZZFTQLZTTN-ZDUSSCGKSA-N 329.448 3.736 0 1 EHAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(S(C)(=O)=O)s1 963244227 VKZKWUAPYSIKJL-SCLBCKFNSA-N 349.521 3.898 0 1 EHAF O=C(CCc1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O 1857771634 YMXHAFYIYLNSFQ-UHFFFAOYSA-N 328.751 3.968 0 1 EHAF C[C@@]1(C(=O)NC2CCCCCC2)CCC(=O)N1Cc1ccc(F)cc1 427052 UMFKUUXTQXLIOB-FQEVSTJZSA-N 346.446 3.546 0 1 EHAF COc1cc2occc2c2c1[C@H](O)C[C@@](OC)(c1ccccc1)O2 13460313 JJNUOQQTGRIGHV-KUHUBIRLSA-N 326.348 3.757 0 1 EHAF biogenic,in-vitro CN(C)CC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 14947030 QHHRPUJOBJAVFG-JZZBYWGLSA-N 341.495 3.939 0 1 EHAF Cc1csc2nc([C@H](C)NC(=O)/C=C/c3ccsc3)oc(=O)c12 27518976 RWPFPCKQWGISTR-FSIBCCDJSA-N 346.433 3.510 0 1 EHAF CC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(N)=O)c[nH]c1=S 28341421 PPSICIUTFJTVRN-JTQLQIEISA-N 330.240 3.951 0 1 EHAF C[C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CC(C(F)(F)F)=NN1 28710429 OJLSPQBFHFYRFL-LLVKDONJSA-N 340.132 3.602 0 1 EHAF CC(C)NC(=N)c1ccc(C(=O)Nc2nc3ccccc3s2)cc1 35075833 HZWHBMREXPRSDA-UHFFFAOYSA-N 338.436 3.872 0 1 EHAF Clc1ccc(-c2nnnn2Cc2cccnc2)c(Cl)c1Cl 40565712 BRIVRUVXAZPHCS-UHFFFAOYSA-N 340.601 3.744 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]4(F)C[C@H](F)CC[C@]34C)[C@@H]1CC[C@@H]2O 40894991 ASFPNZWQOVAFQN-RCUSPWIZSA-N 326.427 3.999 0 1 EHAF O=C(O)CCN[C@H]1CC[C@@]2(Cc3ccccc3Cc3ccccc32)C1 43202654 NWCYKTKORNLIRC-SIKLNZKXSA-N 335.447 3.688 0 1 EHAF COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc21 49069114 ABDWUBPDHWDFCV-CYBMUJFWSA-N 341.430 3.689 0 1 EHAF CCN1CCN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)CC1 72186245 WPFHXIRDMISWTB-UHFFFAOYSA-N 340.254 3.786 0 1 EHAF C=CC1=C(C(=O)NCc2ccccc2F)[C@H](c2ccc(F)cc2)OC1 73223819 XAEVUYBSQUDPNY-IBGZPJMESA-N 341.357 3.835 0 1 EHAF C[C@H](C(=O)O)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 95099220 TVEXIRVZQLABEX-UJWVDPIVSA-N 330.424 3.970 0 1 EHAF biogenic,in-vitro O=C1O[C@@]2(Oc3c(cccc3-c3ccccc3)C2=O)c2ccccc21 95590464 UDVMUFNZIBMVGE-NRFANRHFSA-N 328.323 3.952 0 1 EHAF CCC(=O)N1[C@@H]2CC[C@@H]3[C@H]1CC[C@@H]2N3C/C=C/c1cccc(Cl)c1 100854328 ACRMRXLXLOKVTF-AWOIQTLVSA-N 344.886 3.969 0 1 EHAF CO/C(O)=C1\C(C)=Nc2ccccc2S(=O)(=O)[C@H]1c1ccccc1 101348967 LYLFHOWODXMJSS-HVESIFNPSA-N 343.404 3.724 0 1 EHAF Cc1onc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1 144758577 HFJCYKKLZCGTAQ-UHFFFAOYSA-N 331.368 3.860 0 1 EHAF Brc1c[nH]c2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc-2n1 586885458 UZLFEHFAPPPDHR-BZKAFXDJSA-N 333.233 3.535 0 1 EHAF Cc1c(-c2cnccn2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987566 CRHMFKYURLUZFZ-UHFFFAOYSA-N 339.354 3.917 0 1 EHAF CN1CCC(c2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)CC1 586988859 YCXSLZFLGXMFNN-UHFFFAOYSA-N 344.414 3.961 0 1 EHAF Brc1cnc2[nH]c(-c3csc4c3CCOC4)nc2c1 587032518 XPYBQHKMMLGZGI-UHFFFAOYSA-N 336.214 3.522 0 1 EHAF Fc1ccc(-c2nc3nc(Cl)ccc3[nH]2)nc1Br 587155016 IJPUNNYNVLUZTK-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF Nc1ccc2oc(-c3nc4cncc(Br)c4[nH]3)cc2c1 587252040 QZDLCECCAJRLEV-UHFFFAOYSA-N 329.157 3.716 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cccc(C)c3nc1O)O2 587394801 JVEHVLVDKIYRAB-KRWDZBQOSA-N 334.375 3.846 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(C)cn1)[C@@H](C2)C3=O 587430565 JBRJVVBOQKUHAL-YCRPNKLZSA-N 346.386 3.678 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC)c1C)[C@@H](C2)C3=O 587443494 QQJASOWWYYMEGA-VBKZILBWSA-N 340.375 3.510 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1nc4ccccc4s1)[C@@H](C2)C3=O 587449539 BGNRXAUELCYNLE-BUXKBTBVSA-N 337.400 3.968 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cnc1O)CC2=O 587462204 NZJTZRLHNYIMGW-OAHLLOKOSA-N 333.771 3.805 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccccn3)c1)CC2=O 587477105 UMBVKPXSRKICDA-SFHVURJKSA-N 349.390 3.632 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CCC(C)(C)C)(C(=O)O)CC2=O 587489644 OOZHMICSLALBCI-LJQANCHMSA-N 334.412 3.960 0 1 EHAF COCCn1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513841 URNBQFZDUPCMEO-LJQANCHMSA-N 325.408 3.720 0 1 EHAF O=C1CC2(CC3(CC(C(=O)O)C3)C2)Oc2c1ccc1c2CCCC1 587529143 JMTWGTGCLLXZTK-UHFFFAOYSA-N 326.392 3.544 0 1 EHAF Cc1[nH]c2cccc(F)c2c1[C@H]1COCCN1C(=O)OC(C)(C)C 587637264 ZADUBAGJSIZDDR-CQSZACIVSA-N 334.391 3.924 0 1 EHAF O=C(Cc1cccc(Cl)c1)n1ncc2ccc(Cl)cc2c1=O 587651846 PTCTVBZYZKADON-UHFFFAOYSA-N 333.174 3.586 0 1 EHAF Cn1c(-c2ccccc2)nnc1-n1nc2cc1Oc1ccc(F)cc1-2 587875083 MYPXLTWLETVFPY-UHFFFAOYSA-N 333.326 3.580 0 1 EHAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 587935771 JESURWLRBAMCQU-VPTHRUTESA-N 336.313 3.826 0 1 EHAF CCOC(=O)c1coc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)n1 962673021 ZHUOWGLCGJWFIZ-LJQANCHMSA-N 348.402 3.753 0 1 EHAF CN(C)c1ccc2cc([C@@H]3NCCc4c(C(=O)O)cccc43)ccc2c1 963121887 MCQFEPUERPFTLN-NRFANRHFSA-N 346.430 3.839 0 1 EHAF CCOc1cccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)c1 1857588326 VQCDDQFICVHCGN-UHFFFAOYSA-N 345.402 3.954 0 1 EHAF COc1ccc([C@@H]2COC[C@H]2c2ccc(OC)c(OC)c2)cc1OC 2356341210 IWFDIRAQIJKUJO-HOTGVXAUSA-N 344.407 3.619 0 1 EHAF O=C1[C@H]2CCCN2[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccccn1 58046632 PFOFZGNHVJJPRT-ZBFHGGJFSA-N 348.233 3.898 0 3 EHAF Cc1nc(=O)c2cc(NC(=O)c3c(Cl)cccc3Cl)ccc2[nH]1 201452274 PJPSZNXUCUZMPW-UHFFFAOYSA-N 348.189 3.791 0 3 EHAF CN1CCN(C2=Nc3cc(Cl)ccc3Cc3ccccc32)CC1 13861663 MEENNONXQPTCRL-UHFFFAOYSA-N 325.843 3.570 0 1 EHAF COc1c([C@H](CC(C)=O)c2ccccc2)c(=O)oc2ccc(O)cc12 27560168 TVAOUBONABUHHD-OAHLLOKOSA-N 338.359 3.618 0 1 EHAF CC(C)=CCc1cc2c(cc1O)OC(=O)[C@H]1c3ccc(O)cc3O[C@@H]21 34646700 ONTGHSPILBIJMK-OALUTQOASA-N 338.359 3.743 0 1 EHAF biogenic CCN(CC)C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N2C 36271115 HVKNYGIHMRFIPC-BDXSIMOUSA-N 334.891 3.775 0 1 EHAF O=C(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1F 49112467 VGEONSNXIGLTNX-UHFFFAOYSA-N 346.833 3.876 0 1 EHAF COc1cccc(-c2ccc3ncc(-c4ccc(CO)cc4)n3n2)c1 82082119 AYYKPDFYGYNYRU-UHFFFAOYSA-N 331.375 3.564 0 1 EHAF COc1ccc(-c2cc(NC3CCCC3)ncn2)c(OC)c1OC 82160249 KUGHZVMFXXZNHO-UHFFFAOYSA-N 329.400 3.524 0 1 EHAF COc1ccc2nc3c(cc2c1)C=NN=C(NCc1ccccc1)S3 98083618 PMSYMCWYXVTZOG-UHFFFAOYSA-N 348.431 3.829 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 117428734 LDXJDJWFSSSGPR-PXNSSMCTSA-N 331.419 3.898 0 1 EHAF O=Cc1c(O)ccc2nc(-c3ccc(C(=O)N4CCCC4)cc3)ccc12 221063776 DKESEVYNAJVWSI-UHFFFAOYSA-N 346.386 3.656 0 1 EHAF CCCCNC(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 299831800 SDHSJBTVGFPGGT-UHFFFAOYSA-N 346.406 3.565 0 1 EHAF Oc1ccccc1C1(c2nc3cncc(Br)c3[nH]2)CC1 586896597 FPXWWYUNXQFREN-UHFFFAOYSA-N 330.185 3.506 0 1 EHAF N[C@H](Cc1nc2cccc(F)c2[nH]1)c1ccc(Br)cc1 586997121 NJWAOHXEFGIOEY-GFCCVEGCSA-N 334.192 3.707 0 1 EHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(F)(F)F)cc2[nH]1 587094347 PZUDWACCYDNTEH-ZCFIWIBFSA-N 339.239 3.711 0 1 EHAF C[C@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)c1ccccc1C(F)(F)F 587097367 JYWMSPGAHTWPQZ-LURJTMIESA-N 341.724 3.541 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)on1)[C@@H](C2)C3=O 587435403 FSMVJVLJDFHGKL-XOBRGWDASA-N 333.343 3.839 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)c(C)nn1C)CC2=O 587458893 AGSZDNVIHSNKHA-AWEZNQCLSA-N 334.803 3.747 0 1 EHAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587587761 OFXGLVINUTYFMQ-RXVVDRJESA-N 347.370 3.973 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCOCC2)N1 587832772 CSXXUFQCFSWEHW-MGPLVRAMSA-N 342.252 3.764 0 1 EHAF COc1cc(C)c(OC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587938029 PUVBVUPJGDGQDF-UHFFFAOYSA-N 338.363 3.563 0 1 EHAF Fc1cccc(-c2cnc3cnc(-c4ccc5c(c4)OCO5)cn23)c1 653668916 HFGJEAXBPRPIJF-UHFFFAOYSA-N 333.322 3.931 0 1 EHAF c1csc(-c2cc(CN[C@@]34C[C@H]5CO[C@@H](C[C@@H](C5)C3)C4)no2)c1 653700473 DUBPAFWUTCUORQ-VAGZCVSGSA-N 330.453 3.840 0 1 EHAF COC(=O)c1ccnc2cc(OCc3ccc(Cl)c(OC)c3)[nH]c12 653732540 WMOZPWOTLOQMMX-UHFFFAOYSA-N 346.770 3.591 0 1 EHAF CCOC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2 653784959 GYHBNCVQRQZBHP-BBTUJRGHSA-N 346.467 3.873 0 1 EHAF Cc1cc2c(cc1F)[C@H](c1ccc(-c3cccc(CO)n3)cc1)NCC2 962369794 BBFMABYDEJOHKL-QFIPXVFZSA-N 348.421 3.924 0 1 EHAF O=C(O)c1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1 1772577365 ARBADQKZGAMOSR-UHFFFAOYSA-N 346.184 3.636 0 1 EHAF CCSc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772621846 JAPUJPGNVVKBFW-LLVKDONJSA-N 341.440 3.953 0 1 EHAF Cc1ncc(Cc2csc(COCc3ccccc3)c2C)c(=N)[nH]1 1857765492 HFXBQAJFRCAHOX-UHFFFAOYSA-N 339.464 3.875 0 1 EHAF Oc1c(Cl)cc(Cl)cc1/C=N/NC(=S)NC1CCCCC1 166455 CKYFVMOOXNAXAA-CAOOACKPSA-N 346.283 3.830 0 1 EHAF FC(F)(F)CCCSc1nsnc1[C@@H]1CN2CCC[C@H]1C2 2002111 QROOTTZWVVRLNV-VHSXEESVSA-N 337.436 3.782 0 1 EHAF CCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 3815571 FNBJMQJWFBTPGJ-UHFFFAOYSA-N 349.221 3.734 0 1 EHAF Cc1cnc(NCCCN2CCCC2)c2c3cc(O)ccc3n(C)c12 5161432 VRATZAVEZKEQRH-UHFFFAOYSA-N 338.455 3.638 0 1 EHAF CN(C)CCOc1nccc(-c2ccc(-c3cccs3)s2)n1 26580202 IHBSAZMUFOSPJF-UHFFFAOYSA-N 331.466 3.874 0 1 EHAF Cc1nc(SCCO)c2c3c(sc2n1)CCc1ccccc1-3 35788894 NWXWNEPXFHFNSR-UHFFFAOYSA-N 328.462 3.850 0 1 EHAF CCn1c(-c2ccc(-n3cncn3)cc2)nc2c(F)cc(F)cc21 43120789 WULHVAZBDYDOAJ-UHFFFAOYSA-N 325.322 3.582 0 1 EHAF Cc1cccc(-c2nc3c(NCCc4ccccn4)nccc3[nH]2)c1 82082182 VYCZQKTXNNRQCN-UHFFFAOYSA-N 329.407 3.983 0 1 EHAF Cc1c(C(=O)N(C#N)Cc2ccccc2)ncn1Cc1ccc(F)cc1 82150892 LRUVQDDKMXVPFS-UHFFFAOYSA-N 348.381 3.502 0 1 EHAF CC[C@H]1CCCCN1c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 82231643 LSIJKDXLPVHZRZ-HNNXBMFYSA-N 334.423 3.754 0 1 EHAF COc1ccc(N(C)c2nc(C(F)(F)F)ccc2C(=O)O)cc1 95596425 HRFYLQOULCMLJJ-UHFFFAOYSA-N 326.274 3.575 0 1 EHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(\O)OCC)[C@H]1c1ccccc1 100015289 QASJJMUUEHQQOT-KCGBVJQISA-N 329.396 3.888 0 1 EHAF NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(-c4ccccc4)cc23)c1 166715731 ISGSGQVHSWJQHR-UHFFFAOYSA-N 349.415 3.544 0 1 EHAF CC/C=C\C/C=C\C[C@@H](O)[C@H](O)/C=C/[C@@H]1CC=CCCCC(=O)O1 299807109 OIBRTSVGCWTYLU-FTBBVYSASA-N 334.456 3.609 0 1 EHAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@H](O)CC[C@]54C)[C@@H]2CC[C@@H]13 299850324 QOQOHWIHMCTUKL-ZKAYIGJRSA-N 332.484 3.932 0 1 EHAF COc1ccc(CN=c2nc3c(c[nH]2)CSc2ccccc2-3)cc1 473145804 ZWIMCAMVAAQREK-UHFFFAOYSA-N 335.432 3.792 0 1 EHAF COc1cc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1OC 586887735 IZDQPAUQIAGAOD-XIKOKIGWSA-N 326.396 3.726 0 1 EHAF Cc1cc(Br)cc2nc(CSC(C)(C)C(=O)O)[nH]c12 586959244 MNOVNLNJZRUHDT-UHFFFAOYSA-N 343.246 3.730 0 1 EHAF Clc1c(-c2nc3cc4cn[nH]c4cc3[nH]2)ccnc1Br 587007778 RIXOUGUBUMZTTC-UHFFFAOYSA-N 348.591 3.917 0 1 EHAF CC(=O)c1ccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2c1 587022151 UVOUBCCHSBLLPK-UHFFFAOYSA-N 334.404 3.969 0 1 EHAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C)cc2[nH]1 587065073 LFEVLUCWQGRLEX-UHFFFAOYSA-N 330.771 3.925 0 1 EHAF CC(=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 587154642 CQCPCNJXKUGOMD-UHFFFAOYSA-N 334.148 3.729 0 1 EHAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(O)nccc3[nH]2)cc1 587158460 MODICCMXIKBKIJ-UHFFFAOYSA-N 333.322 3.949 0 1 EHAF N=c1[nH]c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cs1 587208476 SBKLWKHMTCUQOZ-UHFFFAOYSA-N 329.384 3.982 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(N)ccc1F)CC2=O 587465417 DNCLKYHTFWWKAJ-IBGZPJMESA-N 329.371 3.947 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1C(F)F)CC2=O 587465795 KPRYYTBWXXFCMY-AWEZNQCLSA-N 336.338 3.722 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1CC(=O)OC)CC2=O 587480992 QIIYBFRLILPYHI-RBZFPXEDSA-N 346.423 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1CC(=O)OCC)CC2=O 587485483 WTWYBSVDHNZKLT-ZUOKHONESA-N 346.423 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H](C2(C)C)[C@@]1(C)O 587491965 XUXFVBNOJQTQKE-YXDZEJKTSA-N 344.451 3.866 0 1 EHAF CCOC(=O)[C@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587521594 DMDJJTHXEPIBQC-XOBRGWDASA-N 328.408 3.633 0 1 EHAF O=C1CC(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587527443 WFZPGOPRKPTZMV-JOCHJYFZSA-N 346.382 3.582 0 1 EHAF Cc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586261 JRLLJOZAGAOSQU-YLJYHZDGSA-N 333.343 3.799 0 1 EHAF CCn1ncc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)F)c1C 587638004 SEDWBDXFQLQMKW-UHFFFAOYSA-N 347.321 3.506 0 1 EHAF Cc1noc(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587789685 AOVVKHZOASHPKJ-KWKYVRJSSA-N 339.208 3.817 0 1 EHAF CO[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587806436 AVUQPGPKNAHZNJ-CKUKBARFSA-N 342.252 3.907 0 1 EHAF CC(=O)[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813187 MXDNUDSEXPNBDP-UTEYVOQOSA-N 328.225 3.563 0 1 EHAF CC(=O)[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587823171 ORBSXWRVPALSQT-RCAYSMOQSA-N 340.236 3.707 0 1 EHAF COc1cccc(-c2cc(C[C@@H](N)C(=O)O)cc(Cl)c2Cl)c1 653687083 LMFIILLOHZCYDW-CQSZACIVSA-N 340.206 3.623 0 1 EHAF NCCN(C(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 1772573837 NZRJVFRRZKRBDP-UHFFFAOYSA-N 342.748 3.964 0 1 EHAF O=C(/C=C/c1ccccc1)OCCCc1cn(Cc2ccccc2)nn1 1857576416 GNOIITSEQRDADC-BUHFOSPRSA-N 347.418 3.516 0 1 EHAF Cc1ccc(C(=O)NC[C@@H]2c3ccccc3CCN2CC(C)C)cc1 1857628249 RMVRRMAGWIHRBV-OAQYLSRUSA-N 336.479 3.980 0 1 EHAF CCCN(CC)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1 1857753409 YOTAAJBRJIGRET-UHFFFAOYSA-N 326.440 3.601 0 1 EHAF CC[C@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C)[C@H]4CC1)[C@H]32 2356383712 VTDXGWFEGNRRSX-FYZZASKESA-N 326.484 3.810 0 1 EHAF CC(=CCC[C@@]1(C)c2c(c3c(C)cc(O)cc3oc2=O)O[C@@H]1C)CO 2356640809 RLMJKQCFPTZLDT-ZUOKHONESA-N 344.407 3.564 0 1 EHAF CC(=CC(=O)O)C=C(C)C[C@H](C)CCC[C@@H](C)[C@H](O)CC(=O)O 2356874079 YSGUUARLOQGQKX-DAXOMENPSA-N 326.433 3.632 0 1 EHAF CC(C)(C)c1noc(-c2ccccc2)c1C(=O)N[C@@H]1CCCC[C@H]1O 775476 LIBYZTUVJRDESV-HUUCEWRRSA-N 342.439 3.672 0 1 EHAF O=c1[nH]c(-c2ccc(F)cc2)cn1-c1ccc(Br)cc1 2466189 NWPWMAGSSTWXRK-UHFFFAOYSA-N 333.160 3.734 0 1 EHAF CC(=O)OCC/C=C/C=C/C=C/CCc1ccc(O)c(OC(C)=O)c1 13339819 WMYQRZNNTOOHHF-OKWWDJPNSA-N 344.407 3.872 0 1 EHAF COC(=O)c1cc(OC)c2[nH]c3ccccc3c2c1/C=C/C(C)(C)O 13398960 GOGHABCCDYNZSW-MDZDMXLPSA-N 339.391 3.900 0 1 EHAF CCCCCOC(=O)CCCNC(=O)Nc1cccc(Cl)c1 13560460 YEMMEIWNEYEUMQ-UHFFFAOYSA-N 326.824 3.975 0 1 EHAF O=c1cc(N2CCOCC2)oc2ccc(/C=C/c3ccccc3)cc12 13677075 SRMRRRXKZORKNV-VOTSOKGWSA-N 333.387 3.800 0 1 EHAF CC[C@]1(C(=O)N[C@H](C)COc2cccc(F)c2)[C@@H](C)C1(Cl)Cl 29393012 MHGSLISIVPHOOR-UEKVPHQBSA-N 348.245 3.929 0 1 EHAF CN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(N)cc3)n2n1 40975598 ONGUVAPLSLKNAV-UHFFFAOYSA-N 347.397 3.754 0 1 EHAF COc1ccc2cc(-c3cn(CC(=O)c4ccccc4)nn3)ccc2c1 64446505 AGWIFXJNDVCAFE-UHFFFAOYSA-N 343.386 3.990 0 1 EHAF COc1cc2cncnc2cc1OCCc1ccc2ccccc2n1 66167060 REIGRVDNVZOVDL-UHFFFAOYSA-N 331.375 3.808 0 1 EHAF in-vitro COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)O2)cc1 72180870 PWSJIWZIGAEWLK-KRWDZBQOSA-N 330.771 3.588 0 1 EHAF C[C@H](N[C@@H](C(=O)O)[C@@H](C)C(=O)c1ccc(Cl)cc1)c1ccccc1 84602706 OBJFJILBNZTBRI-IIYDPXPESA-N 345.826 3.963 0 1 EHAF COc1ccc(-c2c(CO)c(CO)c3sc4ccccc4n23)cc1 84729984 PXNALHYUQFCUFP-UHFFFAOYSA-N 339.416 3.814 0 1 EHAF CC1=C(c2ncn[nH]2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 103085650 SQSNTLAGHPFXAY-CQSZACIVSA-N 347.209 3.754 0 1 EHAF Cc1cc(=O)nc2n1-c1ccc(Cl)cc1/C(c1ccccc1)=N/CC2 169290411 PGHRPFDPDACZMH-LSDHQDQOSA-N 349.821 3.588 0 1 EHAF Cc1cccc(O)c1-n1cc(C(=O)c2ccc3ccccc3c2)nn1 220560669 UCNHBHHSQGXVAF-UHFFFAOYSA-N 329.359 3.666 0 1 EHAF CN1c2ccccc2C(=O)N2CCn3c(cc4ccc(Cl)cc43)[C@H]21 221951458 MCSTXRKMLGBOCB-SFHVURJKSA-N 337.810 3.899 0 1 EHAF C/C=C1\CN2[C@H]3C[C@@H]1[C@@H](COC(C)=O)[C@@H]2Cc1c3[nH]c2ccccc12 238754070 WNCGZDXLEZTMEA-ISIROQFMSA-N 336.435 3.595 0 1 EHAF C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C(=O)c5[nH]ncc5C[C@]4(C)[C@H]3CC[C@@]21C 254076623 JIKWZDFWABFBJE-XCYLXMFVSA-N 342.483 3.758 0 1 EHAF c1cncc(-c2nnc3n2N=C(c2cccc4ccccc24)CS3)c1 299829878 VQRSMERHSXGKRZ-UHFFFAOYSA-N 343.415 3.851 0 1 EHAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccnc(Br)c3[nH]2)cc1 586888015 KAQDTTHVWBOJAO-IINYFYTJSA-N 346.228 3.866 0 1 EHAF COc1ccc2nc(-c3nc4cc([C@H](N)N=O)ccc4[nH]3)sc2c1 587034934 KCYKNMIPCBFSJX-CQSZACIVSA-N 339.380 3.572 0 1 EHAF C[C@H](c1nc2ncc[nH]c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F 587128242 HVUDAPVJCTUPTI-SCSAIBSYSA-N 348.691 3.639 0 1 EHAF C[C@H](Oc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587169548 YZHVZEAYUABMFL-JTQLQIEISA-N 325.343 3.727 0 1 EHAF Cc1ccnc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc12 587201509 PLBWJNXBROZEKG-UHFFFAOYSA-N 332.448 3.847 0 1 EHAF CC[C@@]1(c2ccc(OC)cc2OC)CC(=O)c2cc(C)cc(N)c2O1 587398196 CXERJJSCMXHFIE-FQEVSTJZSA-N 341.407 3.865 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc([C@@H](C)N(C)C)cc1)[C@@H](C2)C3=O 587429597 QFAXSMNQRBTVQQ-CNBXIYLPSA-N 337.419 3.807 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)O)C(C)(C)C1)CC2=O 587488524 KJWLHXBYBXMSOI-VLIAUNLRSA-N 346.423 3.960 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cn3c(n1)CCCC3)CC2=O 587492765 XBFXSCGYXUPPQU-FQEVSTJZSA-N 340.423 3.758 0 1 EHAF CC[C@]1(CSC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605389 CJRAAWWQFBDABZ-CRAIPNDOSA-N 330.405 3.866 0 1 EHAF O=CNc1ccccc1-c1[nH]c2ccc(F)c(Cl)c2c1CC(=O)O 587631882 YNTCSDIFFQOTHM-UHFFFAOYSA-N 346.745 3.823 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@]3(C)O[C@H]32)N1 587839569 SXIIENMDIMYMGL-JSTZJWCRSA-N 340.236 3.659 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCC1CCC1 587873354 ZMQOUGYEASGRIO-UHFFFAOYSA-N 333.432 3.611 0 1 EHAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]21CCN2CCC[C@H]1C2 962701651 LLWMIEZEWUVWAY-RZQQEMMASA-N 346.515 3.500 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@]12CC[C@@H]1[C@H](C(=O)OCC)[C@H]12 963232384 RXZZHZIZAWYNMH-DWPXBDBASA-N 327.468 3.758 0 1 EHAF COC(=O)CC=C[C@H](C)[C@@H](Cc1ccccc1Br)OC 1857623046 OEXFZJIMWVCZMM-SWLSCSKDSA-N 341.245 3.762 0 1 EHAF C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@]5(C)NC[C@@](C)(O5)[C@@]43C)[C@@H]1C[C@H](O)C2 2356479410 OKHJETVYDDGMLT-ZNOHPILTSA-N 333.516 3.705 0 1 EHAF COc1cccc(-c2c[nH]c([C@H](O)c3cc(F)cc(Cl)c3)n2)c1 61928624 INYUGFMDXCNCJD-MRXNPFEDSA-N 332.762 3.960 0 3 EHAF CNc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 2014357 PNSABWCPTPSDBN-UHFFFAOYSA-N 344.844 3.567 0 1 EHAF CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1ccc(C(F)(F)F)cc1 5886283 VYTAFMADGYAATD-UHFFFAOYSA-N 338.373 3.921 0 1 EHAF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@H]1[C@H](O)C2=O 13302481 DLFBGJCOHIZRGA-GGPKGHCWSA-N 332.440 3.862 0 1 EHAF biogenic CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc2ccccc12 13680772 JXSGYCRLEZHXSG-UHFFFAOYSA-N 336.420 3.700 0 1 EHAF COc1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1OC 13737714 BWIYMDQJIKNCMK-UHFFFAOYSA-N 325.364 3.936 0 1 EHAF in-vivo CC[C@@H]1C[C@H]2C=C(C(=O)OC)n3c4c(c5ccccc53)CCN(C1)[C@@H]42 14719423 HUJHMNHVYIYOMD-BIENJYKASA-N 336.435 3.614 0 1 EHAF biogenic CCOC(=O)[C@H]1Nc2c(F)cc(C)cc2[C@@H]2c3ccccc3C[C@H]12 15952466 NVUWQTLUUFNIEY-IEZWGBDMSA-N 325.383 3.796 0 1 EHAF CCCc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1 28769981 QRQZDZPCRVUFNL-UHFFFAOYSA-N 334.467 3.838 0 1 EHAF O=C(O)Cc1ccc(Cc2nc3c(F)c(F)cc(F)c3s2)cc1 29407752 FWVKJCTVGOMXEI-UHFFFAOYSA-N 337.322 3.932 0 1 EHAF O=C(c1cc(-c2cc(F)c(Cl)cc2Cl)n[nH]1)N1CCCC1 64693585 HDZHAGAHVJIOLE-UHFFFAOYSA-N 328.174 3.759 0 1 EHAF CN(CCO)c1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 82067722 IFTASENKXHCAQL-UHFFFAOYSA-N 335.363 3.597 0 1 EHAF CC1(C)CCN(c2ccc(C#Cc3cncc(Cl)c3)cn2)C(=O)O1 143740941 VWHFLPHEDKHDIS-UHFFFAOYSA-N 341.798 3.655 0 1 EHAF Cc1ccc(-c2nc3ccc(C4=NNC(=O)C[C@@H]4C)cc3o2)s1 168208412 ULDHGGFVDCCJFT-VIFPVBQESA-N 325.393 3.725 0 1 EHAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(N(C)C)cc2)n1 203005302 VGTSWFPKJVSTHM-UHFFFAOYSA-N 349.442 3.939 0 1 EHAF Oc1cc(NC2CCOCC2)c2cc(-c3cncs3)ccc2n1 299850691 CSWOETBECUDEEP-UHFFFAOYSA-N 327.409 3.655 0 1 EHAF Cc1c(Br)cnc2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc12 586903890 QVXSQFUPYHHFCL-AAEUAGOBSA-N 344.212 3.598 0 1 EHAF CC(C)(C)c1cccc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c12 586926932 RJGGGMNBQUUQSV-UHFFFAOYSA-N 328.437 3.931 0 1 EHAF CCCCS(=O)(=O)N[C@H](c1nc2cc(C)cc(C)c2[nH]1)C(C)C 586933690 WJUGQGGFZFRPAZ-HNNXBMFYSA-N 337.489 3.596 0 1 EHAF CC(=O)c1ccc2nc(-c3sc(Br)nc3C)[nH]c2c1 587011429 PAEGZWIMXSUPFV-UHFFFAOYSA-N 336.214 3.960 0 1 EHAF Cc1nccc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c12 587022882 CMRNUBQFTQKSAS-UHFFFAOYSA-N 331.401 3.737 0 1 EHAF COc1cc(-c2nc3cc[nH]c(=N)c3[nH]2)cc(Cl)c1OCC(C)C 587046569 WKFKFAKQBDOMHQ-UHFFFAOYSA-N 346.818 3.734 0 1 EHAF Cc1c(F)ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c12 587131417 GYSITDWYQKNEGC-UHFFFAOYSA-N 326.318 3.629 0 1 EHAF CC(C)(C)[C@@]1(CN)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333690 HWZAHCQALLEYKB-PXNSSMCTSA-N 343.398 3.634 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)ncn1)CC2=O 587460150 GUQRPLHUIFSFRN-QGZVFWFLSA-N 332.787 3.669 0 1 EHAF CCN(CC)C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587503823 ITPIRHDYPTWDTA-FQEVSTJZSA-N 329.440 3.548 0 1 EHAF CCOC(=O)C[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587522926 JEYNUVONVFHPLQ-FQEVSTJZSA-N 330.424 3.879 0 1 EHAF O=C1C[C@@]2(C[C@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 587529518 OSNFFKGWUXJUQU-HTAPYJJXSA-N 348.398 3.998 0 1 EHAF CCCCC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600996 DOZWNMPEMOVMNZ-XLIONFOSSA-N 340.375 3.872 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](CO)C2)N1 587820281 ARKIDNSYAQSXTP-UVWXRNBGSA-N 342.252 3.500 0 1 EHAF CC[C@@]1(Cc2nc3cnc(Cl)[nH]c-3n2)CC(=O)c2ccccc2C1 587959491 FMNDKZJMLLAARP-SFHVURJKSA-N 340.814 3.726 0 1 EHAF O=C(O)c1ccc2c(c1)[C@@]1(CC2)c2ccc(F)cc2C[C@@H]2CCCN21 963106811 NTLGXKVLPQKXSO-LAUBAEHRSA-N 337.394 3.734 0 1 EHAF CC(C)(C)NC(=O)Nc1nccnc1OCc1ccccc1Cl 1857650061 WQRBTNBYGCBSSE-UHFFFAOYSA-N 334.807 3.629 0 1 EHAF CCCOC(=O)Nc1nc2ccc([S@](=O)CCC)cc2s1 1857765445 VUSYUDFNLSKTHU-OAQYLSRUSA-N 326.443 3.772 0 1 EHAF CC=Cc1ccc(O[C@@H](C)[C@H](O)c2ccc(O)c(OC)c2)c(OC)c1 2356587023 WCFYXOLUODJLKB-RBZFPXEDSA-N 344.407 3.943 0 1 EHAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C(=O)O 2356673574 PNWSAUSJYHVEQY-UXPWSPDFSA-N 330.424 3.970 0 1 EHAF CCCNC(=O)[C@]1(C)CCCN(Cc2cccc(C(F)(F)F)c2)C1 61896854 KABMDWODCODMNA-QGZVFWFLSA-N 342.405 3.834 0 3 EHAF Cc1c(C(=O)N2CCC[C@]2(C)C(=O)NCC(C)C)oc2ccccc12 61926041 VPFJKUCVNJDWQU-HXUWFJFHSA-N 342.439 3.508 0 3 EHAF Cc1cccc(C)c1N1C(=O)C(Cl)=C(N2CCCCCC2)C1=O 346992 DOQDDKVAJLYLAH-UHFFFAOYSA-N 332.831 3.503 0 1 EHAF CCCCCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 4315129 VQVRPWHSVSDCGB-NONVJHHQSA-N 343.423 3.717 0 1 EHAF Cc1ccc2c(c1)-c1onc(C(=O)N3[C@@H](C)CCC[C@@H]3C)c1CO2 9439937 ZUOMOUSYNRJUBC-STQMWFEESA-N 326.396 3.946 0 1 EHAF COc1ccc(C2=NNC(=O)[C@@H]3CCCC[C@H]23)cc1OC1CCCC1 13474134 VVVNSVYXTOMPJW-JKSUJKDBSA-N 342.439 3.657 0 1 EHAF O[C@@]1(c2ccc(Cl)cc2)c2ccccc2C2=N[C@H]3CCCC[C@@H]3N21 13491113 KLRMDPMJYLBCKY-BJLQDIEVSA-N 338.838 3.920 0 1 EHAF O=C1Nc2ccc(F)c3c(SCCO)cc(-c4ccc[nH]4)c1c23 13535979 MIFAIQVSQMDIEY-UHFFFAOYSA-N 328.368 3.624 0 1 EHAF COc1ccc(/C=C\C(=O)O)cc1C/C=C(\C)[C@H](O)CC=C(C)C 14454964 YQBWMLNIUYVJNW-NEBDUCOYSA-N 330.424 3.999 0 1 EHAF C[C@H](CCO)CCC1=C(C(=O)O)[C@H](O)C[C@@H]2C(C)(C)CCC[C@]12C 15061429 RKAPARDPGINYIT-NOUYOMCBSA-N 338.488 3.764 0 1 EHAF biogenic O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2cccc(Cl)c2Cl)C1 19732686 QEEIYTFWZSCOSS-OCCSQVGLSA-N 349.261 3.774 0 1 EHAF C[C@H](Nc1ncnc(NCCOc2ccccc2)n1)c1ccccc1 28342732 DVLDNWRNAGYZPR-HNNXBMFYSA-N 335.411 3.536 0 1 EHAF O=C(O)CCc1coc2cccc(OCC3CCCCC3)c2c1=O 49808443 PKNKHTXLRDEPCD-UHFFFAOYSA-N 330.380 3.769 0 1 EHAF Cc1cccc(N2C(=O)CS[C@@H]2c2c(Cl)cncc2Cl)n1 73157181 IECKWJKZQJDEOK-CQSZACIVSA-N 340.235 3.870 0 1 EHAF C[C@H](N[C@H](C(=O)O)[C@@H](C)C(=O)c1ccc(Cl)cc1)c1ccccc1 84602704 OBJFJILBNZTBRI-IGCXYCKISA-N 345.826 3.963 0 1 EHAF CCOP(=O)(OCC)[C@@H](C)OC(=O)COc1ccc(C)cc1 103277827 WGEBMURQBQVAFO-ZDUSSCGKSA-N 330.317 3.529 0 1 EHAF COC(=O)c1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 116910246 HSWLEGZVPLEDSX-OAHLLOKOSA-N 342.700 3.905 0 1 EHAF O=C(NC1CCC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166584346 ISKDLGNISLAAQE-UHFFFAOYSA-N 335.407 3.517 0 1 EHAF CC[C@@H]1C(c2ccc3nc(-c4ccccc4)oc3c2)=NNC(=O)[C@H]1C 168925801 PRARBWHVMNLUNN-WFASDCNBSA-N 333.391 3.991 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)CC[C@H](C(C)C)[C@@]2(O)CC[C@]1(C)O 238771242 SARMJLPHTLNPQI-QNQJJHRMSA-N 338.488 3.603 0 1 EHAF Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1N[C@@H](C)c1ccc(F)cc1 299882298 PLFONFJLYFMTGI-KKUMJFAQSA-N 344.434 3.711 0 1 EHAF CS(=O)(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 586927792 WIALETILUIDLIC-UHFFFAOYSA-N 341.219 3.940 0 1 EHAF O=[S@](Cc1nc2cc(Br)cc(Cl)c2[nH]1)CC1CC1 586960624 WXHSTLPNLXQMPB-SFHVURJKSA-N 347.665 3.638 0 1 EHAF Cc1cc(Cc2nc3cnc(Cl)[nH]c-3n2)ccc1Br 586978092 WTGYMIHIUJDKDY-UHFFFAOYSA-N 337.608 3.620 0 1 EHAF CCc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005623 NGGMORQLYFEILY-UHFFFAOYSA-N 337.608 3.998 0 1 EHAF Fc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c(F)c1F 587043537 ZYHRNRGVQVZCMX-CHWSQXEVSA-N 349.381 3.927 0 1 EHAF Cc1c(F)ccc2nc(C(F)(Br)Br)[nH]c12 587089025 WBXRMIREVYSXGM-UHFFFAOYSA-N 339.965 3.880 0 1 EHAF C[C@@]1(c2nc3ccc(Cl)nc3[nH]2)C=C(c2ccccc2F)NO1 587154053 BYXJOCHPAKFZFQ-INIZCTEOSA-N 330.750 3.542 0 1 EHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)cnc3[nH]2)cn1 587247216 KZAUWBPPXWJSLP-UHFFFAOYSA-N 329.791 3.658 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCO[C@H](c4ccccc4)C1)[C@@H](C2)C3=O 587455428 MKAQQHHMZRBUPH-DJPFJPOOSA-N 336.387 3.733 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)c(C)o1)CC2=O 587486053 WPTJADHROIQTFH-QGZVFWFLSA-N 344.363 3.739 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(F)c2)N1 587738847 RBKRTECJUSERLY-GLEZIHRCSA-N 339.183 3.746 0 1 EHAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587775036 YEFVERTWIZRBGZ-QLJPJBMISA-N 335.220 3.915 0 1 EHAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(F)c(Br)c2[nH]1 587963780 SWPQVGCIJRJRQE-YUMQZZPRSA-N 325.181 3.622 0 1 EHAF O=C([C@H]1Cc2ccccc2[C@]2(CCc3ccsc32)N1)C(F)(F)F 962767730 QKPUXPLCFGISDO-CJNGLKHVSA-N 337.366 3.584 0 1 EHAF O=C(Nc1nc2cc(-c3ccoc3)ccn2n1)c1cccc(Cl)c1 1857576513 UVTKQJNITKVMNF-UHFFFAOYSA-N 338.754 3.895 0 1 EHAF O=C(NCCc1ccccc1F)c1ccc(-c2ccccc2F)cn1 1857615461 LLFHKLZJNGTAIQ-UHFFFAOYSA-N 338.357 3.999 0 1 EHAF C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccccc1 2356295699 XDAOOYVOOYYBBI-KBPBESRZSA-N 336.391 3.886 0 1 EHAF CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc2nc(C)ccc2c1 61897901 UQRCCLZLIBBCDM-HXUWFJFHSA-N 339.439 3.663 0 3 EHAF C[C@](O)(c1cccc(F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 61904259 SFZDOVXYNZXWCV-SFHVURJKSA-N 343.379 3.934 0 3 EHAF COc1ccc(-c2csc([C@@](C)(O)c3cccc(F)c3)n2)cn1 61906418 UUKMTBKKYXKTJP-KRWDZBQOSA-N 330.384 3.609 0 3 EHAF COc1cccc(-c2noc([C@H]3CCCCN3C(=O)C3CCC3)n2)c1 324814 MBAGGIFLYQBGOQ-MRXNPFEDSA-N 341.411 3.599 0 1 EHAF O=c1c(-c2cccc(Cl)c2)nc2cncnc2n1Cc1ccccc1 4238902 QQNXHIVBDKLEBN-UHFFFAOYSA-N 348.793 3.555 0 1 EHAF Cc1cccc(S(=O)(=O)N2CCC3(C=Cc4ccccc43)CC2)c1 13728188 LXURPPOZXNGGAE-UHFFFAOYSA-N 339.460 3.744 0 1 EHAF C[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O 15155608 HMAABAHMPJEWDJ-NGCRYJGJSA-N 342.391 3.564 0 1 EHAF biogenic C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]3CC[C@@]4(CCCO4)[C@@]3(C)CC[C@H]12 26388095 PJPLXNAOJADMRD-LDWVWBAUSA-N 329.484 3.833 0 1 EHAF CN(C)C1(c2cccc(O)c2)CCC(O)(Cc2ccccc2)CC1 27096673 XGFJJOVJYHSOBA-UHFFFAOYSA-N 325.452 3.697 0 1 EHAF Cc1ccc(CNC(=O)Oc2ccc(C3=NCCS3)cc2)cc1 43013315 YWRHXFJULPYUKL-UHFFFAOYSA-N 326.421 3.777 0 1 EHAF COc1ccc2cc(-c3ccc([C@@]4(O)CN(C)CCO4)cc3)ccc2c1 64512317 VIKQNNVHRSLKKB-JOCHJYFZSA-N 349.430 3.623 0 1 EHAF Cc1c(C(=O)O)oc2cccc(O[C@@H](C(=O)O)c3ccccc3)c12 98082982 SYCSYPPEAVXWKB-MRXNPFEDSA-N 326.304 3.644 0 1 EHAF CC(C)NC[C@H](O)COc1ccc(Oc2ccc(Cl)cc2)cc1 169318904 ZKJBNZJQDMLNQN-HNNXBMFYSA-N 335.831 3.870 0 1 EHAF CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C(=O)O 238768880 PNWSAUSJYHVEQY-DBVUQKKJSA-N 330.424 3.970 0 1 EHAF Cc1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)oc2c1[C@H](O)CCC2 586905463 PTFUHJMOWIOLGV-SNVBAGLBSA-N 348.305 3.823 0 1 EHAF Cc1nc2ccc(O)c3c2c(c1CCN(C)C)-c1ccccc1C3=O 586988548 LKGDVZYGBFQSCP-UHFFFAOYSA-N 332.403 3.564 0 1 EHAF C[C@H]1CCc2sc(-c3nc4c(S)nc(S)nc4[nH]3)cc2C1 587033182 GKVNEFJHXZQGFA-LURJTMIESA-N 334.495 3.784 0 1 EHAF COC(=O)c1cccc2nc([C@H]3SCCc4sccc43)[nH]c12 587037692 WXMLHAQJUGYBKK-AWEZNQCLSA-N 330.434 3.790 0 1 EHAF Cc1cc(Br)cc2[nH]c(-c3cccnc3N(C)C)nc12 587195604 JYUVUWWBMHZMKZ-UHFFFAOYSA-N 331.217 3.762 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(C(C)(C)C)c1C)O2 587391079 PBHMMDPFBAMPLC-INIZCTEOSA-N 327.428 3.852 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1[nH]c(C)c(C(C)=O)c1C)[C@@H](C2)C3=O 587437586 HIFHIMITUUHUIN-XOBRGWDASA-N 339.391 3.506 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(N(C)C)c(C)c1)CC2=O 587466795 BFNFTJMOKBRRBM-GOSISDBHSA-N 340.423 3.821 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C3CC3)nn1C)CC2=O 587475742 OLMOSRUQWWTDIF-GOSISDBHSA-N 326.396 3.662 0 1 EHAF Cc1ncsc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616908 HFEYNPKSPMFJLY-WMLDXEAASA-N 339.372 3.860 0 1 EHAF COC1=C[C@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587810717 LKRXKEMEEWNGIG-VFZGTOFNSA-N 326.209 3.642 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H]2CCCOC2)N1 587832019 ATCKYVYDXMCYSJ-OHUAYANFSA-N 342.252 3.980 0 1 EHAF COc1ccc([C@H](O)[C@H](C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 587934150 BJTSMDBVRBEEOJ-RMLUDKJBSA-N 335.766 3.596 0 1 EHAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 587935770 JESURWLRBAMCQU-PWJLMRLQSA-N 336.313 3.826 0 1 EHAF CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(N)no3)cc2)no1 653836243 SERSHILIOMDFAS-UHFFFAOYSA-N 341.371 3.853 0 1 EHAF CN1CCc2cnn(C)c2[C@]1(CC(F)(F)F)c1c[nH]c2ccccc12 963955436 PZTDIKMJVDDGPV-KRWDZBQOSA-N 348.372 3.585 0 1 EHAF CC(=O)[C@]1(C)CC[C@@H](C)[C@](C)(CC/C(C)=C/C(=O)O)[C@H]1CC(=O)O 1857553224 VNHYEHLTHMXTID-ZJSMRGKISA-N 338.444 3.920 0 1 EHAF CN(C)CCNC(=O)c1ccccc1Sc1ccccc1Cl 1857628630 RDNAUIITVQMEJH-UHFFFAOYSA-N 334.872 3.783 0 1 EHAF O=S(=O)(Nc1ccncc1Cl)c1cc(Cl)ccc1Cl 3328910 WZYLQNPQEGXFAX-UHFFFAOYSA-N 337.615 3.843 0 3 EHAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 3895547 MNAWVYVJBYBTFK-JCURWCKSSA-N 342.464 3.573 0 1 EHAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CNCc1cccnc1)O2 13651341 GJAFPUTWSXKHJV-HXUWFJFHSA-N 326.440 3.586 0 1 EHAF CC(C)C(=O)CC[C@@]1(C)C=Cc2c(c3ccccc3n(C)c2=O)O1 14887284 NYATVLNHGXEKDI-HXUWFJFHSA-N 325.408 3.708 0 1 EHAF endogenous,in-man CCCCn1nc(-c2ccccc2)c(/C=C/Br)c(N)c1=O 28655291 BOZABEBVCRBBHB-MDZDMXLPSA-N 348.244 3.658 0 1 EHAF Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@H]2CC(C)C)cc1 28704315 FVXDVZLELVMTJM-OAHLLOKOSA-N 327.877 3.927 0 1 EHAF CNCc1cc(C(=O)NC)ccc1Oc1ccc(Cl)cc1Cl 29129581 APWBVHFSBGGAAZ-UHFFFAOYSA-N 339.222 3.865 0 1 EHAF C=Cc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1 45351548 DTNMVWLJMUIORI-UHFFFAOYSA-N 342.402 3.644 0 1 EHAF COc1ccc(C(N)=O)cc1/C=C/c1ccc(Br)cc1 59754664 JYNQEMWBZFWHJC-GORDUTHDSA-N 332.197 3.727 0 1 EHAF Cc1ncn(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1C=O 72102677 UVDNUXFHOXCNEF-UHFFFAOYSA-N 335.285 3.726 0 1 EHAF Cc1cccc(CNC[C@H](O)Cn2c3c(c4ccccc42)CCCC3)c1 73157231 XVNREHUDJRMVPS-IBGZPJMESA-N 348.490 3.979 0 1 EHAF O=C1Nc2ccccc2[C@@H]1CCCCN1CCN(c2ccccc2)CC1 101446236 LYGQIGIJXNWACG-FQEVSTJZSA-N 349.478 3.715 0 1 EHAF C=C/C(C)=C\CC/C(C)=C/c1cc(C(=O)N2CCN(C)CC2)co1 103283682 NODIOENRLLUOBK-PPRHCINDSA-N 328.456 3.983 0 1 EHAF Cn1cc(-c2cnc3c(NC(=O)Nc4ccccc4)ccnc3c2)cn1 117573939 KPKNYMHRGSSSOG-UHFFFAOYSA-N 344.378 3.674 0 1 EHAF C[C@@H](N)CNc1nc(-c2ccncc2)nc2cc(C(C)(C)C)sc12 223681954 JIAZEJCFIULJRI-LLVKDONJSA-N 341.484 3.810 0 1 EHAF CC(C)Oc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1Br 586893520 ZVZUXLNZYGWVSV-OAHLLOKOSA-N 341.249 3.976 0 1 EHAF COC(=O)c1cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2cn1 586898166 MTTNJBNQSYSGAA-UHFFFAOYSA-N 345.358 3.784 0 1 EHAF O=S(=O)(/C=C/c1nc2cnc3ccccc3c2[nH]1)c1ccccc1 586924654 SNHHYVDJGNXVDK-ZHACJKMWSA-N 335.388 3.556 0 1 EHAF C[C@]12CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]1O2 586989937 AURVUMHYODXXFB-SFTDATJTSA-N 329.355 3.928 0 1 EHAF CC1=C(c2ccc3[nH]c(-c4ccc(Cl)cc4)nc3c2)NNC(=O)C1 587071774 NBVBZIPMQRWUGY-UHFFFAOYSA-N 338.798 3.639 0 1 EHAF Fc1cc2c(c(Cc3nc4cnc5ccccc5c4[nH]3)c1)OCOC2 587171061 HZZARLGBKYCQBI-UHFFFAOYSA-N 335.338 3.708 0 1 EHAF Fc1ccc2c(c1)C[C@H](c1nc3c(F)c(F)c(F)c(F)c3[nH]1)O2 587175271 XCQZWALSDSUGIG-MRVPVSSYSA-N 326.224 3.935 0 1 EHAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)cnc2[nH]1 587194763 AUVKTKDQGUOUDR-JTQLQIEISA-N 345.244 3.938 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)c[nH]c3nccc1-3)O2 587379585 JJWPKKZJLHFSRH-CQSZACIVSA-N 327.771 3.765 0 1 EHAF COc1cc(C)cc2c1OCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587415088 YNIVVVZJENPWHB-FQEVSTJZSA-N 339.391 3.537 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cnc1Cl)[C@@H](C2)C3=O 587423767 ZFABOTHKVBDAOD-BONVTDFDSA-N 336.174 3.886 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cn(C)c4cc(F)ccc14)[C@@H](C2)C3=O 587429974 XYYXILJXAACMBK-XOBRGWDASA-N 337.350 3.815 0 1 EHAF COc1ccc(OC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527944 ZUJJDYMSDXJVSW-KRWDZBQOSA-N 338.403 3.987 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(F)(F)F 587861731 XQXVYCCKPHJURR-UHFFFAOYSA-N 338.207 3.780 0 1 EHAF CCc1ccc(C(=O)CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 587956348 XZWJALZOVFAUDD-UHFFFAOYSA-N 348.328 3.701 0 1 EHAF Cc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1 653825262 SMYUEWYXIKCMEA-UHFFFAOYSA-N 338.386 3.520 0 1 EHAF CCC(CC)[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962635909 KTYHODQDOOOCCT-BLLLJJGKSA-N 345.361 3.836 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(Cc2ncccc2C(=O)O)N1 962949630 PZNMBBUVHWZGER-ZSEKCTLFSA-N 349.434 3.643 0 1 EHAF C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C=O)c1)c1ccccc1F 1772602023 VBKDAAYYAUWVCA-GFCCVEGCSA-N 337.354 3.519 0 1 EHAF CC1([C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NN1 1857538709 JHDIOWXROSUEFV-HSXTZPDUSA-N 330.516 3.750 0 1 EHAF CC(=O)Nc1nc(-c2cccc(NC(=O)c3ccco3)c2)cs1 1857542622 YBRPJSJVUIKLEE-UHFFFAOYSA-N 327.365 3.614 0 1 EHAF CCCC[C@@H](N)CCCCCC[C@@H](C=CC(=O)O)N=c1cc[cH-][nH]1 2356297211 QACAYNNIVKQBHR-SJORKVTESA-N 334.484 3.502 0 1 EHAF COCCCNC(=O)c1ccc(CSCc2ccc(C)cc2)o1 2966636 XSGDZDNLGQUOCQ-UHFFFAOYSA-N 333.453 3.788 0 3 EHAF CC1=C(C/C(C)=C/c2ccccc2)/C(=C/CO)[C@H](O)[C@](C)(O)C12CC2 15974381 OSMLUOIPYDBDPE-WFEXEHRJSA-N 340.463 3.621 0 3 EHAF CN(C)C(=O)c1ccc(-c2cncnc2Nc2ccc(F)cc2)cc1 4264615 SJQWHAIQAVHNLD-UHFFFAOYSA-N 336.370 3.728 0 1 EHAF O=C1C[C@]2(CCc3ccccc32)OC(=O)[C@@H]1SCc1ccccc1 13766440 XPUQKCAVFSZBQC-QUCCMNQESA-N 338.428 3.646 0 1 EHAF c1cc(Nc2nccc(-c3ccco3)n2)cc(OCCn2ccnc2)c1 26644293 AQBQTXUJVPSATI-UHFFFAOYSA-N 347.378 3.756 0 1 EHAF C[C@@H]1O[C@H](c2ccc(Cl)cc2)OC[C@H]1NC(=O)Cc1ccccc1 28826587 PARBHVFFXUAMCV-BOFPYLFWSA-N 345.826 3.501 0 1 EHAF COc1ccc(NC(=O)C(=O)c2cn(C)c3cc(Cl)ccc23)cc1 73138058 LUYHWGQIFGITMO-UHFFFAOYSA-N 342.782 3.662 0 1 EHAF Cn1cc(-c2ccc(CN3C[C@@H](c4ccccc4)CC3=O)c(F)c2)cn1 95594781 KLJDJHBWEIVQAE-SFHVURJKSA-N 349.409 3.742 0 1 EHAF COc1cc(C=O)ccc1OCCOc1ccc(-n2cccc2)cc1 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347.370 3.746 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(C(=O)C4CC4)c1)[C@@H](C2)C3=O 587445467 KAPTVNIAMVQRPI-HRAATJIYSA-N 334.371 3.777 0 1 EHAF COC(=O)c1csc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587535100 IGHQUDNFCXDFBC-HNNXBMFYSA-N 343.404 3.515 0 1 EHAF CCCC[C@@H](OC)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587554249 HSOUJONSRWYGGS-MRXNPFEDSA-N 339.395 3.981 0 1 EHAF Cc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585135 BJEMGBPICSDWOT-XLIONFOSSA-N 333.343 3.799 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COC2CCC2)N1 587811088 MPDOTBSXFBLARR-PSLIRLAXSA-N 328.225 3.733 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCSC2)N1 587859137 VXAPAJNQJHUWTL-OTYXRUKQSA-N 330.266 3.845 0 1 EHAF COc1ccc2c(c1)[C@@H](c1sc(O)nc1Cl)N(C(C)C)CC2 962086007 BKNOJRGEZZTPRG-ZDUSSCGKSA-N 338.860 3.867 0 1 EHAF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccc(F)nc1F 962374149 NYHWVJISTANHJW-KRWDZBQOSA-N 345.418 3.908 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCC3=C2CCC(=O)N3)N1 962955137 RUZRTBLJYIOSIB-LRTDBIEQSA-N 335.451 3.636 0 1 EHAF CC(C)N1CCC(CNC(=O)c2c(Cl)cccc2Cl)CC1 1857554823 CTXHTPMAODHZOJ-UHFFFAOYSA-N 329.271 3.844 0 1 EHAF CN1CCc2c(sc3ncnc(Nc4ccc(F)cc4F)c23)C1 1857593025 DMMAZBNIBKJYRN-UHFFFAOYSA-N 332.379 3.701 0 1 EHAF CC=C1C(=O)O[C@@H]2CC(C)=C([C@H](C)CCCC(C)=O)[C@@H](OC(C)=O)[C@@H]12 2356353922 UKRMILBDFWSESA-WDJSQZHISA-N 348.439 3.522 0 1 EHAF CC(=CCO)CC[C@@]1(C)[C@@H]2CCC=C(C(=O)O)[C@]2(C)[C@@H](O)C[C@H]1C 2356378346 GTOZGWPAQKVWLE-NWUDTAHTSA-N 336.472 3.540 0 1 EHAF CC[C@@H]1c2ccc(OC)cc2N2C(=O)C[C@]34C=CCN(C)[C@@]23[C@@H]1CC4 2356478315 ZPZZXKOHHNKQTR-JKMAKKBCSA-N 338.451 3.533 0 1 EHAF c1csc(CNc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1 13580939 FTBFCDGGIMYWCL-UHFFFAOYSA-N 343.456 3.986 0 1 EHAF COc1ccc(-c2nc(CN)sc2-c2ccc(OC)cc2)cc1 13735813 GXXSGUOWMXMVBR-UHFFFAOYSA-N 326.421 3.953 0 1 EHAF O=[S@](c1ccccc1)c1ccc(OCCO[C@@H]2CCCCO2)cc1 27321395 KZBSOWKSWQSRJY-DVECYGJZSA-N 346.448 3.775 0 1 EHAF Cc1ccccc1-c1nnc(NC(=N)NCCc2ccccc2)s1 28014122 JXKCLDLPGOKEEU-UHFFFAOYSA-N 337.452 3.692 0 1 EHAF CCC(=O)N(c1cccc(Br)c1)[C@@H]1CCC[C@@H]1N(C)C 28242275 JJWFDAVLZOUOOZ-LSDHHAIUSA-N 339.277 3.675 0 1 EHAF O=C(c1ccccc1)c1ccc2c(c1)[nH]c(=O)n2Cc1ccccc1 40753569 PCOUACYJYLFQFZ-UHFFFAOYSA-N 328.371 3.609 0 1 EHAF Cc1ccc2[nH]c(-c3cc(Br)ccc3O)cc(=O)c2c1 40836639 NYRFXWGBTPDDKD-UHFFFAOYSA-N 330.181 3.972 0 1 EHAF CCN(C(=O)c1cnc(-c2ccccc2C)cn1)c1ccc(OC)nc1 49055716 GZJDGINZCFBGRB-UHFFFAOYSA-N 348.406 3.522 0 1 EHAF Cc1nc[nH]c1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71764144 HIRKPHYOKGNZSN-OAHLLOKOSA-N 326.227 3.598 0 1 EHAF Cc1cnc(N2CCSCC2)nc1N[C@H]1C[C@H](C)CC(C)(C)C1 82202596 NCNIQPVXMZBBAY-ZFWWWQNUSA-N 334.533 3.965 0 1 EHAF Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccccc4)c3C2)nc1 114994733 PODLAPNQWXJKQM-MRXNPFEDSA-N 345.450 3.916 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccsc3)cc1)N2 169345241 BFMOQGLGYMZXPC-MHORFTMASA-N 327.449 3.812 0 1 EHAF O=[S@@](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)CC1CC1 586959213 MILGFIICJBBBFN-OAQYLSRUSA-N 336.766 3.894 0 1 EHAF COc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1C 587041305 MVKYYFZOMNQGFQ-AEFFLSMTSA-N 339.464 3.826 0 1 EHAF CC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587119950 ZRRIYVNEDBDANI-UHFFFAOYSA-N 348.328 3.907 0 1 EHAF O=C(c1nc2cc(O)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133470 QJQBDQHFBXTNKW-UHFFFAOYSA-N 325.126 3.945 0 1 EHAF O=C1c2ccccc2-c2c(CCC3OCCO3)cnc3cccc1c23 587209749 UYMGNQKUGDNRNJ-UHFFFAOYSA-N 331.371 3.752 0 1 EHAF O=C(/C=C/c1nc2c(Cl)c(Cl)cnc2[nH]1)Nc1ccccc1 587244979 UEOULMCIKFGNOP-VOTSOKGWSA-N 333.178 3.917 0 1 EHAF Nc1cc(C(=O)O)cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587249619 PNNUDJKUQGSETI-UHFFFAOYSA-N 339.248 3.668 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCCCC2=O)[C@H]1c1ccc(F)cc1 587351547 KDCYUVLZJZCTKH-ICSRJNTNSA-N 340.350 3.772 0 1 EHAF COc1cc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 587372672 ADKKKDWHJRCDHF-OAHLLOKOSA-N 333.771 3.651 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(Br)c1)O2 587374953 AIPUKNJKQJJFQR-OAHLLOKOSA-N 348.196 3.752 0 1 EHAF Cc1cccc(-n2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 587390252 GABNHHZOHGQFEB-OAQYLSRUSA-N 347.418 3.952 0 1 EHAF COc1ccc2nccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587395098 OKAWSEMKUBNQIK-LJQANCHMSA-N 334.375 3.841 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4ncc(Cl)cc14)[C@@H](C2)C3=O 587420610 ISUPBZMIMRTIFE-SJCJKPOMSA-N 340.766 3.714 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cncnc4)c1)[C@@H](C2)C3=O 587435135 CCOOFEGQSVCYMK-UWJYYQICSA-N 344.370 3.641 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCN(C)C)N1 587739478 HHLHFHQTUBLCSK-BDJLRTHQSA-N 343.284 3.679 0 1 EHAF COc1cccc(CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587932010 TWZOMFCSHOMABY-UHFFFAOYSA-N 336.370 3.682 0 1 EHAF Fc1ccc(-n2cc(COCc3ccccc3S)nn2)c(F)c1 1857604501 QFTZBXFQRSUCNV-UHFFFAOYSA-N 333.363 3.551 0 1 EHAF CC(C)CN(CC(C)C)C(=O)c1cn([C@@H](C)c2ccccc2)nn1 203475660 NWMQFLNQIWGQMA-INIZCTEOSA-N 328.460 3.642 0 3 EHAF O=C1c2ccccc2[C@@]2(c3ccc(Cl)cc3)N[C@@H]3CCCC[C@@H]3N12 1862000 MXXCXERMDNXHFJ-HBFSDRIKSA-N 338.838 3.911 0 1 EHAF COc1ccc(CNc2ncc3nc(-c4ccccc4)oc3n2)cc1 13368774 TZKHKKGALOGXJT-UHFFFAOYSA-N 332.363 3.906 0 1 EHAF CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4)nc23)CC1 13523634 DNVFWFHVRZWNQC-UHFFFAOYSA-N 334.423 3.624 0 1 EHAF CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 14968263 BMTWPTWVPQCHNC-UHFFFAOYSA-N 338.251 3.936 0 1 EHAF Cc1cccc(-c2ncc(CN[C@H]3COc4ccccc4C3)cn2)c1 19743015 WNKSDYLFHZLCNS-LJQANCHMSA-N 331.419 3.545 0 1 EHAF O=C(O)[C@@H](CCOc1cccc2ccccc12)CN1CCCCC1 26719446 WDGXKKJNYGANSK-KRWDZBQOSA-N 327.424 3.795 0 1 EHAF CC[C@@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 40818055 RUNRCUXZMMKEMO-FPHUIIFBSA-N 339.479 3.676 0 1 EHAF CCC[C@H]1CN=C2N1C[C@@H](Cc1ccc(OC)cc1)N2CC1CCC1 40939769 OVWYHBULJGMXIF-RBUKOAKNSA-N 341.499 3.562 0 1 EHAF CC(C)CN(C)C(=O)c1cnc(NCC2CC2)nc1-c1ccccc1 82132337 RUEWRIMISRENLL-UHFFFAOYSA-N 338.455 3.694 0 1 EHAF O=C1O[C@H](c2ccccc2Cl)CN1c1ccc2c(c1)CCNC2 169347333 NWTOGRGGXBLAOZ-KRWDZBQOSA-N 328.799 3.684 0 1 EHAF C/C=C/c1ccc(O[C@@H](C)[C@H](O)c2ccc(O)c(OC)c2)c(O)c1 238750646 RXZPLAHSPWAGJM-NSWCWGQASA-N 330.380 3.640 0 1 EHAF CN(c1ccc2c(c1)Cc1c(-c3ccoc3)n[nH]c1-2)[C@H]1CC[C@H](O)CC1 299810937 XHSJMPPBEZWNBF-JCNLHEQBSA-N 349.434 3.981 0 1 EHAF CC(=O)Nc1ccccc1-c1cc2c3ccccc3n(C(C)=O)c2nn1 299828245 UCPIMOZVABGJOE-UHFFFAOYSA-N 344.374 3.870 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@H]3CO 586992280 UHZUXLQUSXZARB-NSHDSACASA-N 331.371 3.564 0 1 EHAF Cc1ccc(C)c2[nH]c(-c3cnn4cc(Br)cnc34)nc12 587008475 LKZCXBTVDUNWOM-UHFFFAOYSA-N 342.200 3.652 0 1 EHAF CCCc1sc(=N)[nH]c1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587013559 QOMHCYIPJOLEKL-UHFFFAOYSA-N 328.228 3.753 0 1 EHAF COc1cccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c12 587111721 OLWUWCWUJXJZIB-UHFFFAOYSA-N 349.312 3.520 0 1 EHAF N[C@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@@H]1c1ccccc1F 587156994 QHZQSLXYGQLNHY-VGDKGRGNSA-N 339.267 3.600 0 1 EHAF CC(=O)Nc1cccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587242883 WYJLWXZNKXSFLH-UHFFFAOYSA-N 335.194 3.814 0 1 EHAF Nc1cc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2cc1N 587245383 XBRLGICUSVWCJR-UHFFFAOYSA-N 343.390 3.647 0 1 EHAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1Cl 587376576 SHBLRWZYQISQPD-CQSZACIVSA-N 333.771 3.651 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3ccc(F)cc3c1=O)O2 587383609 CWKJPRRNKTYMBZ-QGZVFWFLSA-N 339.322 3.529 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc[nH]n3)s1)O2 587409045 FRZDMNVMMBDQRA-AWEZNQCLSA-N 325.393 3.735 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)cc1N)CC2=O 587473452 VGRWGNANGHDGFD-FQEVSTJZSA-N 341.407 3.816 0 1 EHAF CCOC(=O)[C@@]1(CC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587520421 AUFOQCOMEIJZGP-HXUWFJFHSA-N 330.424 3.879 0 1 EHAF Cc1[nH]c2cccc(F)c2c1CCCN1C(=O)c2ccccc2C1=O 587636642 AOHANZRGDKOEMG-UHFFFAOYSA-N 336.366 3.844 0 1 EHAF Oc1nc(S)nc2[nH]c(Cc3ccccc3-c3ccccc3)nc12 587962775 YJQASEONJXVTTF-UHFFFAOYSA-N 334.404 3.605 0 1 EHAF CN1CC[C@H](C(=O)c2cncc(-c3cc(Cl)ccc3Cl)c2)C1=O 653726397 QBTAQXNJOPSGCH-CYBMUJFWSA-N 349.217 3.716 0 1 EHAF COc1ccc2c(c1OC)[C@H](c1c[nH]c3ccncc13)N(C)[C@@H](C)C2 962645597 ZZVWGYAPIITLMM-BUXKBTBVSA-N 337.423 3.546 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cccc(-n2cccn2)c1 963635101 LJPZNADFIBCQNG-SZNDQCEHSA-N 349.434 3.513 0 1 EHAF COc1cccc(Cn2cnc3sc(-c4cccnc4)cc3c2=O)c1 1911572286 UILWXZATKSXREE-UHFFFAOYSA-N 349.415 3.577 0 1 EHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)C(=O)[C@H](O)[C@@]2(C)C(C)=CCC[C@H]12 2356695659 QBTMVLQTZBMTNE-MNRMEVMPSA-N 334.456 3.746 0 1 EHAF O=C1CCCCCCCCCCCCCCC(=O)OCC(O)CO1 15261841 CGRXXYHVIMAIGM-UHFFFAOYSA-N 342.476 3.909 0 1 EHAF biogenic CC(C)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1 36289079 YCKLJVDBGOAMJJ-UHFFFAOYSA-N 330.516 3.750 0 1 EHAF C[C@@]12CC[C@@H]3[C@@](CC1=O)(C2)C(=O)C[C@H]1[C@@]3(C)CCC[C@@]1(C)C(=O)O 40404015 XGQGWUFLISWDEU-CZUDOKGXSA-N 332.440 3.622 0 1 EHAF CCOC(=O)c1ccc(NC(=O)C(C)(C)Oc2cccc(C)c2)cc1 43071628 ZMJIKOGDEPUHEK-UHFFFAOYSA-N 341.407 3.968 0 1 EHAF COc1cc(C[C@H]2CCCCC2=O)cc(Br)c1OC 73197496 LOVSSYPMOZUFIM-LLVKDONJSA-N 327.218 3.768 0 1 EHAF COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2)n1 82163339 ZFMAZRFZWNWIIK-UHFFFAOYSA-N 340.452 3.942 0 1 EHAF Cc1cc(NCCCCn2ccc(=O)c(O)c2C)c2ccccc2n1 95590143 UJKNDQSXZPTFLX-UHFFFAOYSA-N 337.423 3.611 0 1 EHAF C/C=C(\C)C(=O)O[C@@]1(C)CC[C@]2(O)[C@@H](C(C)C)CC[C@]2(C)CC1=O 238766589 BVJPUZCDZDGQEQ-QVGIFQJISA-N 336.472 3.811 0 1 EHAF Cc1cc(NCc2ccccn2)n2nc(C)c(-c3cccnc3F)c2n1 473171652 UKRMXKJTDFNWJW-UHFFFAOYSA-N 348.385 3.554 0 1 EHAF Cn1cc(-c2ncc(-c3nc4ccc5c(c4[nH]3)CCCC5)s2)cn1 587022034 SWKYBMZUZBCTLC-UHFFFAOYSA-N 335.436 3.966 0 1 EHAF OCc1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587134901 QNJQXESQKCSSLL-UHFFFAOYSA-N 328.290 3.567 0 1 EHAF O=C(N[C@@H]1Cc2c1nc1cccc3c1c2CC3)OCc1ccccc1 587211847 XOYXZWJSINCESU-GOSISDBHSA-N 330.387 3.857 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587423458 JYPXPHXGSSGUNG-GUYCJALGSA-N 332.302 3.785 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4ccnc4C)cc1)[C@@H](C2)C3=O 587432201 UYNOOSRMMAWCNE-LAUBAEHRSA-N 346.386 3.678 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc4cc(OC)ccc4n1)[C@@H](C2)C3=O 587436375 PKAWRIGLMJBQMV-BTYIYWSLSA-N 347.370 3.741 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(CC/C=C/CCC(C)=O)[C@@H](C2)C3=O 587445517 KMIVCEUGDAXPQJ-RELCYYESSA-N 328.408 3.907 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@@H]1C(=O)OC)CC2=O 587480896 PXFHTNVYWKREAW-QRWLVFNGSA-N 346.423 3.802 0 1 EHAF COC(=O)c1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536555 WIGTYZXKBCRRKZ-AWEZNQCLSA-N 343.404 3.515 0 1 EHAF CCn1cc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)cn1 587634263 WTALPZWISDROEE-UHFFFAOYSA-N 325.265 3.935 0 1 EHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(C)c3[nH]2)cc1 587784532 IFUOSVFJRGAQPJ-QWHCGFSZSA-N 341.798 3.863 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC(C)(C)C2)N1 587831197 HHBMLMSQQVCOMU-HWPZZCPQSA-N 342.252 3.907 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nccs2)N1 587855250 TXXFLSSITVSWJJ-RTHLEPHNSA-N 341.249 3.842 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(C2CC2)s1 587872585 OTIFJEAXGGVVHN-UHFFFAOYSA-N 330.388 3.806 0 1 EHAF CCOc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 653808135 SXRKKTLXWQSLCI-UHFFFAOYSA-N 325.343 3.655 0 1 EHAF C[C@H](C(=O)O)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 2356351262 TVEXIRVZQLABEX-AOXJEODLSA-N 330.424 3.970 0 1 EHAF COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(O)cc1)=[N+]2C 4313465 BPEBAMZYTIXEKH-UHFFFAOYSA-O 336.411 3.898 0 3 EHAF [O-][N+]1=C(c2ccccc2)c2cc(Cl)ccc2N=C(NCC2CC2)C1 1238 UKFDTMNJMKWWNK-UHFFFAOYSA-N 339.826 3.731 0 1 EHAF in-man Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C[C@@H]1CCCO1)CC3 13678635 YCCQBABDNDRWSN-FMWKFLBASA-N 327.468 3.630 0 1 EHAF C[C@@](O)(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(F)(F)F 13808668 OYWCBECXQBCLFQ-OAHLLOKOSA-N 325.286 3.731 0 1 EHAF COc1ccc(-c2noc(CC(=O)Nc3ccc(Cl)cc3)n2)cc1 21528000 GTAIECAGJSGVDT-UHFFFAOYSA-N 343.770 3.580 0 1 EHAF CN1C/C(=C\c2cccs2)C2=NN(C)[C@H](c3cccs3)[C@@H]2C1 26742616 IGQWEABOPCBVFJ-XDGUNPEDSA-N 329.494 3.797 0 1 EHAF O[C@](Cn1ccnc1)(c1ccccc1)c1ccc(Br)cc1 26848322 QGNIGDRKAXGLEH-QGZVFWFLSA-N 343.224 3.582 0 1 EHAF CC(=O)Nc1cccc(-c2cncc(NN(C)c3ccccc3)n2)c1 28566522 DHWSDQAWLZEOQK-UHFFFAOYSA-N 333.395 3.565 0 1 EHAF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)OC[C@H](C)C3=O 29133596 RCTWKMMYYMPUFN-WDEREUQCSA-N 340.375 3.751 0 1 EHAF CCN1CCN(C2=Nc3cc(C)ccc3Oc3cscc32)CC1 29343677 HMWWZIDHWDPHKH-UHFFFAOYSA-N 327.453 3.878 0 1 EHAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)CC[C@@H]12 45392519 NWIKBYQQDVKUJB-XWUAXACZSA-N 330.424 3.958 0 1 EHAF O=C(NCC1CCNCC1)c1ccccc1-c1ccc(F)c(Cl)c1 49034440 YJVKFPFWTIEGGH-UHFFFAOYSA-N 346.833 3.876 0 1 EHAF Fc1ccc(-n2nnc(-c3cc4ccccc4nc3Cl)n2)cc1 64734961 PBUAOIHKZYDLOE-UHFFFAOYSA-N 325.734 3.670 0 1 EHAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCC1 72111311 UJTKLYGVFXHBJI-UHFFFAOYSA-N 346.430 3.928 0 1 EHAF CC(=O)N[C@@H](CC(=O)c1ccccc1)c1cccc(Br)c1 72114733 LFJIEPKVRUAPGF-INIZCTEOSA-N 346.224 3.899 0 1 EHAF COc1cccc(-c2cnc(Nc3ccccc3)c3[nH]nc(N)c23)c1 204808424 QKNXFQUKBFUGCN-UHFFFAOYSA-N 331.379 3.959 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 238734309 DOPNAZPVNCZMLH-MVRROARJSA-N 334.500 3.566 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1[C@@H]2O[C@]2(C)CC/C=C(\C)CC[C@H]1C(C)(C)O 238736904 AIMCLFUGDPYTKB-BIDDHWMYSA-N 336.472 3.929 0 1 EHAF CC1(C)Cc2nc3ccc(O)c4c3c(c2C[C@H]1O)-c1ccccc1C4=O 586992425 WVTKXWLVOFJKBC-QGZVFWFLSA-N 345.398 3.638 0 1 EHAF Clc1cccc(-c2cc(-c3nc4nc(Cl)ncc4[nH]3)n[nH]2)c1 587068367 SZDIDRZAFLNWOO-UHFFFAOYSA-N 331.166 3.717 0 1 EHAF COC(=O)[C@H](F)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587104080 RNTLGFGORSSRDK-QGZVFWFLSA-N 335.334 3.938 0 1 EHAF COc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cn1 587225999 OAQMBSGJRGSOSC-HNNXBMFYSA-N 346.431 3.723 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccc3nccn13)O2 587382981 UQTWWGOBYRUQFI-AWEZNQCLSA-N 327.771 3.585 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CSCc3c(F)cccc31)O2 587385530 DJXINCLHUSXLIG-GOSISDBHSA-N 329.396 3.824 0 1 EHAF CCC[C@H](C)CN1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587395217 LWBAYYCXNVCUMY-AWEZNQCLSA-N 330.472 3.813 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cnn(C)c3)s1)O2 587409768 JKFAWVRQXGMREN-OAHLLOKOSA-N 339.420 3.746 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)s1)([C@@H](C)O)O2 587410712 ONRGPOPPNVDVDW-JDNHERCYSA-N 337.828 3.534 0 1 EHAF CCC1(CC)[C@H](OC)[C@@H](C)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444299 SXOGEWFDQHTGGH-QQHWTBPPSA-N 330.424 3.653 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(OC)c(F)c1)CC2=O 587465447 CWOZYFBXZRQMCV-MRXNPFEDSA-N 331.343 3.594 0 1 EHAF CN(C)C(=O)C[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587503677 HQDULSCGWRLDSI-VFNWGFHPSA-N 341.451 3.548 0 1 EHAF Nc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577360 KCLZGFDMIOREAU-XLIONFOSSA-N 333.343 3.677 0 1 EHAF Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)o1 587589505 XGLVOYRAJQOPLM-HNAYVOBHSA-N 337.331 3.700 0 1 EHAF COC(C)(C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590694 AEXJYOBWFYXRQV-KXBFYZLASA-N 328.364 3.538 0 1 EHAF CCN(CC)CCc1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587623165 MRIZEIWBBDSZOF-UHFFFAOYSA-N 349.276 3.999 0 1 EHAF COc1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 587660632 QUAJCQSFNVJXIE-UHFFFAOYSA-N 347.349 3.595 0 1 EHAF CC[C@H](Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1)C(=O)O 653807599 XCBROCCYANLSNG-OAHLLOKOSA-N 345.826 3.923 0 1 EHAF CC[C@]1(c2cccc(N)c2)NCCc2cnc3c(OC)cccc3c21 963072296 YLNJHHQHMDSLCF-OAQYLSRUSA-N 333.435 3.625 0 1 EHAF OCc1c(CO)c2n(c1-c1ccccc1)CCc1c-2[nH]c2ccccc12 1772643080 ZZDBOAWCKDLQRI-UHFFFAOYSA-N 344.414 3.844 0 1 EHAF CCn1ccc2c3c(=O)cc(-c4ccc5c(c4)OCO5)[nH]c3ccc21 1857634785 CMINJRRFMVFFIU-UHFFFAOYSA-N 332.359 3.898 0 1 EHAF C[C@@H]1CC[C@]2(C)C(CO)=CCC[C@H]2[C@]1(C)CCC(=CC(=O)O)CO 2356463777 LRLROPFPFABQRF-IXMYUCAJSA-N 336.472 3.541 0 1 EHAF O=C(C=CC=CCCC=Cc1ccc2c(c1)OCO2)N1CCCC1 2356477171 XWQSYLYFCJTIEL-UHFFFAOYSA-N 325.408 3.944 0 1 EHAF COCCN1C(=O)COCc2cc(-c3ccc(F)c(Cl)c3)ccc21 74375669 KQOBJRLJNKYVDW-UHFFFAOYSA-N 349.789 3.656 0 3 EHAF Cc1cccc(-c2nc(-c3cnccn3)n(Cc3ccccc3)n2)c1 1635120 OLUAWZPBTHYHRH-UHFFFAOYSA-N 327.391 3.759 0 1 EHAF COCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 2483215 QKUIWORKNYFUKV-UHFFFAOYSA-N 346.383 3.585 0 1 EHAF CCOc1ccccc1OC[C@@H]1CN(Cc2ccc(F)cc2)CCO1 13579666 SWIAKCKADZHKFN-SFHVURJKSA-N 345.414 3.504 0 1 EHAF CC(C)(O)c1cc2c(cc1O)[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1CC2 15045544 HEIKHXMGSYQVGA-VDGAXYAQSA-N 332.440 3.715 0 1 EHAF biogenic Cc1[nH]c(=O)c(C(=O)c2ccccc2)c2c1C[C@H](c1ccncc1)CC2 27108269 WFLILIJGFUHRJE-QGZVFWFLSA-N 344.414 3.582 0 1 EHAF CN(C)CCCCNC(=O)c1cccc2ccc(-c3ccccc3)nc12 27313835 SVLMDQHXJLMKJJ-UHFFFAOYSA-N 347.462 3.973 0 1 EHAF C[C@@]12C=C[C@H]3[C@]4(C)CCC[C@]3([C@H](OC4=O)O1)[C@H]2CC(=O)c1ccoc1 40938716 RRIAXHHOQKFFCN-QKHQRUOFSA-N 342.391 3.503 0 1 EHAF CCN1CCC[C@@H](c2c(-c3ccccc3)ncn2CCc2c[nH]cn2)C1 65462287 IWPGYRCPWHDNLS-GOSISDBHSA-N 349.482 3.715 0 1 EHAF Cc1ccc2cc(-c3n[nH]c4ccc(N[C@@H]5CCNC5)cc34)[nH]c2c1 66099151 LONFMYCCPGGOAF-OAHLLOKOSA-N 331.423 3.793 0 1 EHAF in-vivo COc1ccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)cc1 72101476 QGQRLYATXGRXHN-UHFFFAOYSA-N 346.390 3.844 0 1 EHAF COc1ccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)c(O)c1 73258693 BXCVDKYMYZSFOC-UHFFFAOYSA-N 327.771 3.760 0 1 EHAF C[C@H]1CCCC[C@H]1C(=O)N1CC(c2nc(-c3cccc(F)c3)no2)C1 95580444 HGULSDBPQFERGA-BLLLJJGKSA-N 343.402 3.628 0 1 EHAF CN(C)C1CN([C@H]2c3ccccc3COc3ccc(Cl)cc32)C1 95856771 KEUZWXJHMSDYJE-IBGZPJMESA-N 328.843 3.568 0 1 EHAF Cc1ccc(-c2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)cc2)o1 102605267 FKSLNBYCLBTOCK-DTDBQYNISA-N 337.375 3.716 0 1 EHAF O=C(O)c1csc(-n2nc(-c3cccc(F)c3)c3ccccc32)n1 103254814 BPWAIGXBRGNTNX-UHFFFAOYSA-N 339.351 3.986 0 1 EHAF CC(C)OC(=O)/C=C\n1cnc(-c2ccc(Cl)c(Cl)c2)n1 115891585 PHLPUYAGBWNRBL-WAYWQWQTSA-N 326.183 3.674 0 1 EHAF Cc1nn(C[C@@H](C)C(=O)Nc2ccccc2)c(C)c1Br 164981279 AYMUCKLSEAVMEL-SNVBAGLBSA-N 336.233 3.537 0 1 EHAF Cc1nc(NCc2ccc(C(=O)NO)cc2)cc2c1[nH]c1ccccc12 221750610 UHBLQJAKJKLAMN-UHFFFAOYSA-N 346.390 3.756 0 1 EHAF CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255226638 LKQDFQLSEHWIRK-MOEGSMTESA-N 334.500 3.710 0 1 EHAF Oc1ccccc1C1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 586896317 ALRXQIAQXVBOOJ-UHFFFAOYSA-N 334.354 3.673 0 1 EHAF Cc1c(-c2nc3ncc(Br)cc3[nH]2)oc2c1[C@H](O)CCC2 586905680 YMOXYJQVBJWWKO-SNVBAGLBSA-N 348.200 3.659 0 1 EHAF N=C(N)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021224 GSOPBCJRHKZNPR-UHFFFAOYSA-N 333.420 3.561 0 1 EHAF COc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1C 587040573 OLNFMIRXCALPDU-ZDUSSCGKSA-N 349.456 3.862 0 1 EHAF Cc1cnc(Cl)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 587041613 NVRIZKSXZMSWDY-QWHCGFSZSA-N 344.871 3.866 0 1 EHAF Nc1c(F)cc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1F 587135331 ZFJJAZQHDAJFHV-UHFFFAOYSA-N 342.118 3.992 0 1 EHAF CCOC(=O)Cc1ccc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2c1 587168659 KKRQGKFTPSDYKG-GFCCVEGCSA-N 342.370 3.948 0 1 EHAF Clc1nccn2c([C@H]3Cc4nc5cccc6c5c(c43)CC6)ncc12 587209782 XKMFFMJKIOOEQF-LBPRGKRZSA-N 332.794 3.718 0 1 EHAF Cc1c(Br)cnc2[nH]c(/C=C/c3ccc(N)cc3)nc12 587251802 OGGPUEMZXIUSIN-QPJJXVBHSA-N 329.201 3.781 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C)C(=O)O)(c1ccccc1)O2 587407338 ILJRABMBDVOIFF-RNODOKPDSA-N 339.391 3.549 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1C)[C@@H](C2)C3=O 587445376 YHWLEOMHCYHLLT-XOBRGWDASA-N 340.375 3.510 0 1 EHAF COc1cc2c3c(c1)O[C@](c1ccsc1N)(C(C)C)[C@@H](C2)C3=O 587452289 NZTUQNPVHNVNEU-UGSOOPFHSA-N 329.421 3.638 0 1 EHAF Cc1cc(C)cc(OCc2nc3cncc(Br)c3[nH]2)c1 587564685 OKNXWWLSNIHUIT-UHFFFAOYSA-N 332.201 3.916 0 1 EHAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)cn1 587634218 UWLGVGMXPHFWOT-UHFFFAOYSA-N 325.265 3.773 0 1 EHAF O=C(O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 587637519 BHXJQFRVKAGJOS-UHFFFAOYSA-N 329.739 3.814 0 1 EHAF CC(=O)c1c(-c2ccccc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587649876 MEVDCTVKBNGTAY-UHFFFAOYSA-N 331.368 3.580 0 1 EHAF CC(C)OC1CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587811144 NCSWYFLITOGZRX-WCVRRQIGSA-N 342.252 3.905 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCCO)N1 587824368 BGPQZSBBJLZZSU-BONVTDFDSA-N 330.241 3.500 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCCO2)N1 587828879 AOZQEUGPQSMOSL-ZWZTZDBGSA-N 328.225 3.733 0 1 EHAF COc1ccc(/C=C/Cc2nc3ccnc(Cl)c3[nH]2)c(OC)c1 587928613 GDUZXFLMSHIPTB-ONEGZZNKSA-N 329.787 3.884 0 1 EHAF CCC[C@@H](c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(C)C 587957081 ZWHWZUYQPARXRP-CQSZACIVSA-N 326.444 3.858 0 1 EHAF CCOC(=O)[C@@H](CC)Cc1ccc(C(=O)NCc2ccccc2)cc1 653808374 MILRTCDQWFEEEQ-SFHVURJKSA-N 339.435 3.748 0 1 EHAF COC(=O)[C@@]1(CC(C)C)c2ccsc2CCN1Cc1cccn1C 962375217 RVNMCSVIMOGUHC-LJQANCHMSA-N 346.496 3.559 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(COCc3cc(OC)ccc32)N1 962947484 NOLHETDJLCLBMK-NYHFZMIOSA-N 348.446 3.875 0 1 EHAF CC[C@@]1(c2ccccc2OC(F)F)NCCc2c(C(=O)O)cccc21 963136122 YIGFCYOYIZXJMP-LJQANCHMSA-N 347.361 3.786 0 1 EHAF O=C(Cc1ccccc1)Nc1n[nH]c2ncc(-c3ccc(O)cc3)cc12 1857640701 LBCCEYYPMUJAEW-UHFFFAOYSA-N 344.374 3.512 0 1 EHAF C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]2(C)C1=O 2356429144 LXJUYLCCZZZHNK-IUUONHNASA-N 334.500 3.710 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)Cc3c(CO)coc3C[C@H]12 2356442034 MDNZWGMJADDCJN-QIYDDFJZSA-N 332.440 3.801 0 1 EHAF CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1 15068262 FWFKQMZTKRTINU-LJQANCHMSA-N 340.471 3.569 0 3 EHAF CN(C)c1cccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C)c1 75414109 BMWZOWVTHKANLB-UHFFFAOYSA-N 346.438 3.783 0 3 EHAF Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCN(C)C 9112 IIHVBDVYBDSPPU-UHFFFAOYSA-N 339.414 3.972 0 1 EHAF C=Cc1cncc2ccc(C(=O)NCc3ccccc3OC(C)C)nc12 5835442 JYZJTVZGNKIJMJ-UHFFFAOYSA-N 347.418 3.990 0 1 EHAF Cc1oc2ncnc(NCCc3ccc(Cl)cc3)c2c1C(=O)O 6738764 NMDOEXHVLGDWIV-UHFFFAOYSA-N 331.759 3.537 0 1 EHAF COCc1ccc(CN2CC[C@]3(CCCN(CC4CCC4)C3)C2)o1 11839667 UZAXBANMOFVARR-FQEVSTJZSA-N 332.488 3.514 0 1 EHAF Oc1ccc([C@H](O)CCN2CCC(Cc3ccccc3)CC2)cc1 26261823 USDXVADJZXMZPG-OAQYLSRUSA-N 325.452 3.770 0 1 EHAF O=C1CC[C@H]2CN(CCc3ccccc3)CC[C@@H]2N1c1ccccc1 28259681 BBZVFMINWXZIBV-FPOVZHCZSA-N 334.463 3.747 0 1 EHAF Cc1ccc(S(=O)(=O)N2CCC(Cl)=C[C@@H]2CC(C)C)cc1 28704317 FVXDVZLELVMTJM-HNNXBMFYSA-N 327.877 3.927 0 1 EHAF CN(Cc1ccccc1)C(=O)c1ccc([C@@H](O)C(F)(F)F)s1 29069784 KHJHLUOUXKNRGE-CYBMUJFWSA-N 329.343 3.616 0 1 EHAF COc1ccc(-c2cnc(Nc3cccc4c3C[C@H](O)CC4)o2)cc1 53243550 GAUQEWLQXSLJGH-OAHLLOKOSA-N 336.391 3.943 0 1 EHAF C[C@@H](CO)CCC[C@](C)(O)CCC[C@@H](C)CCC(=O)[C@H](C)CCO 59778998 KVWYIWRSDKQRFM-SOAMZJECSA-N 344.536 3.710 0 1 EHAF in-vitro CC1=NN(c2cn3c(-c4ccc(Cl)cc4)csc3n2)C(=O)C1 103259605 PYTZHTHYYWVYEN-UHFFFAOYSA-N 330.800 3.829 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@@H]1N2C 138021153 AMIHUYQKNJHXPT-JLUCKKNBSA-N 328.239 3.733 0 1 EHAF O=c1c2ccc(Cl)cc2[nH]c2cc(OCCN3CCCC3)ccc12 145339887 SJHQQBZWVNAOHT-UHFFFAOYSA-N 342.826 3.809 0 1 EHAF C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)C[C@H](O)c1ccoc1 169336329 ZOVNGEHLBNZAPT-UDERSWLKSA-N 336.472 3.668 0 1 EHAF COC(=O)C1=C[C@]2(c3ccc(F)cc3[C@H](OC)[C@H]2C)[C@H]2C=C[C@H]1C2 195365751 VQRFUQBWZBYASP-OABQTQODSA-N 328.383 3.706 0 1 EHAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 299872636 QIVOTMOKECOCJC-KPXIBXGJSA-N 334.500 3.566 0 1 EHAF COc1cccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587077531 VTYBDGHUDQGCEN-HNNXBMFYSA-N 327.771 3.842 0 1 EHAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C(=O)O)CC4)-c1ccccc1C2=O 587100557 CWGDHMYXUSZKME-LBPRGKRZSA-N 343.382 3.944 0 1 EHAF CN[C@@H](c1cccnc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587223419 ATZJMFHRYHCORT-IBGZPJMESA-N 344.418 3.846 0 1 EHAF CCO[C@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(CC)CC 587442169 KGVDTZNVBPRSFU-IIMJZQEZSA-N 330.424 3.797 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1C(=O)OC)CC2=O 587477819 HGDZTCIZBZELIB-SFHVURJKSA-N 340.375 3.838 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C1CCC1)CC2=O 587483212 PTRBYTGBVQACJV-FQEVSTJZSA-N 346.423 3.802 0 1 EHAF Cn1ccnc1[C@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587510419 ALXQSBXAIJKXTA-OAQYLSRUSA-N 348.402 3.801 0 1 EHAF C[C@H](O)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587529208 LJEVZOJLNSQIKR-OYHNWAKOSA-N 336.431 3.893 0 1 EHAF Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)cn1 587629541 AXRTUKBOLGCOJD-UHFFFAOYSA-N 345.683 3.944 0 1 EHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccnc1 587656972 ONQLBWMPDBNZAY-UHFFFAOYSA-N 335.313 3.726 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccn2)N1 587770290 ILEYISZXJNKLLH-MGPLVRAMSA-N 335.220 3.781 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cnccc32)N1 587780053 XWMAHGLKFHGIPL-DYZYQPBXSA-N 347.231 3.707 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2OC2(C)C)N1 587831664 IQFOAZVBKCYBPD-AFEMSUNCSA-N 328.225 3.515 0 1 EHAF Cc1ncsc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587851782 CMAKDYIUFJTKFT-UHLUBPPHSA-N 341.249 3.977 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccnc1 587862381 MDLIWCORUXJTJM-UHFFFAOYSA-N 347.296 3.661 0 1 EHAF COc1cc2c(cc1OC)[C@H]1Cc3c([nH]c4ccccc34)CN1CC2 1772603501 OMBHXEPOHLIZTD-LJQANCHMSA-N 334.419 3.841 0 1 EHAF CCc1sc2ncnc(N[C@H](C)C(=O)O)c2c1-c1cccc(O)c1 1857580940 ZVAJPNVZGQNWQE-SECBINFHSA-N 343.408 3.511 0 1 EHAF COc1ccc([C@H](Nc2ccccc2)P(=O)(OC)OC)cc1O 103299960 AAIRNPCDRYLHNL-MRXNPFEDSA-N 337.312 3.997 0 1 EHAF O=C(NC[C@H](c1ccccc1)n1ccnc1)c1cc2ccccc2o1 53229826 IIVYMYBROOALQO-QGZVFWFLSA-N 331.375 3.649 0 1 EHAF O=P(O)(O)C(F)(F)c1cc2ccccc2cc1Br 29047770 PXSASDIBFQXVNY-UHFFFAOYSA-N 337.056 3.829 0 1 EHAF C[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 118933911 RVRUDXHMJRUDLB-XXHSLLPRSA-N 332.484 3.645 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2cccc(C)n2)/C1=C(/O)OC(C)C 29489395 CXBOYORHWOHNME-ARSNJYAISA-N 331.372 3.651 0 1 EHAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H]2OC(=O)CCCC=CC[C@@H]21 2356623663 ZVWMOTMHZYWJPF-QTMHVTGLSA-N 336.472 3.523 0 1 EHAF COc1ccc2c(c1)CN(C(=S)Nc1ccccc1)CCS2 35283057 VVDBZMIQAOLHQS-UHFFFAOYSA-N 330.478 4.000 0 1 EHAF CC(=O)c1cc2c(C)cc(=O)oc2cc1OCCN1CCCC[C@@H]1C 71295387 CMVNWQPKLMMSEY-AWEZNQCLSA-N 343.423 3.557 0 1 EHAF COc1ccc([C@H](O)[C@@H](C)N2CC=C(Cc3ccccc3)CC2)cc1 31575953 XQLBAPHRSPLANO-VGOFRKELSA-N 337.463 3.992 0 1 EHAF Cc1cc(C)c(CN2CCC[C@@]23Cc2ccccc2CNC3=O)c(C)c1 71993965 JEUNZKMJAGJKAD-QHCPKHFHSA-N 348.490 3.819 0 1 EHAF Cc1cc(C)c2[nH]ccc2c1CN1CCCC[C@H]1CCS(C)(=O)=O 1911583538 MCSDTZIPLULXCC-INIZCTEOSA-N 348.512 3.574 0 1 EHAF OCCCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1 40865308 LTHYUPQXCJFJKY-UHFFFAOYSA-N 329.400 3.752 0 1 EHAF C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)cc13 220070910 WKSWYCJGHDWJFK-PDPGBCDDSA-N 338.495 3.642 0 1 EHAF Cc1ccc(C)c(Oc2ccc(C[C@H]3SC(=O)NC3=O)cc2)c1 45385049 CICSDMCZOFKYEA-MRXNPFEDSA-N 327.405 3.990 0 1 EHAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(Cn3cccn3)cc21 143448734 ORFWZFZLZNQQLG-QGZVFWFLSA-N 330.309 3.710 0 1 EHAF CC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255202168 CIUZTBJZAMUYJU-KOWYNTSXSA-N 334.500 3.710 0 1 EHAF Oc1ccc(C2(c3nc4cnc5ccccc5c4[nH]3)CCOCC2)cc1 586912765 GQBGHSYQNOHICB-UHFFFAOYSA-N 345.402 3.913 0 1 EHAF CC(=O)[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814797 VSNFRUVLEMPEPX-UTEYVOQOSA-N 328.225 3.563 0 1 EHAF COc1ncc(F)cc1-c1nc2c(Br)cc(C)cc2[nH]1 587175379 CFTKSQXBHFQFHE-UHFFFAOYSA-N 336.164 3.844 0 1 EHAF CCOC(=O)[C@@H](CC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526575 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EHAF C[C@@H]1CCCCN1C(=O)c1cc2c(=O)n(C)c3ccccc3c2s1 6771884 FXFKWVWQGHIXRY-GFCCVEGCSA-N 340.448 3.768 0 1 EHAF COc1ccc([C@@H](C)Cn2ccnc2NC#N)cc1OC1CCCC1 13438965 ULDSURZNIBZDIV-AWEZNQCLSA-N 340.427 3.910 0 1 EHAF CN(CCCOc1ccc(Oc2ccccc2)cc1)CCC(=O)O 13475298 BBXJXVCJDVUXLK-UHFFFAOYSA-N 329.396 3.654 0 1 EHAF Cc1ncccc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCCO1 13579717 JNAPEGOHICELQS-GOSISDBHSA-N 346.858 3.713 0 1 EHAF O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(C=Cc3ccccc32)CC1 13738148 QAWALLZHCJCRFW-FGZHOGPDSA-N 331.459 3.575 0 1 EHAF O=C(O)Cc1cc2c(c(C(=O)c3ccc(Cl)cc3)c1)SCC2 26398335 ZAXJICGWZLONHG-UHFFFAOYSA-N 332.808 3.846 0 1 EHAF CCC[C@@H]1C[C@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1N2C 27438705 NYHLSJFRSGAHTE-DEPCRRQNSA-N 329.484 3.917 0 1 EHAF CCCOc1oc(=O)c2cc(NC(=O)OCC)ccc2c1Cl 27628144 HRTGDNPKCVGSPR-UHFFFAOYSA-N 325.748 3.804 0 1 EHAF COc1ccc2c(c1)[C@@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1C[C@H](C)C(=O)C3 29218370 YMCAJSSZWHVMMT-YXXMBDFVSA-N 339.479 3.589 0 1 EHAF C[C@@H]1N=CN(Nc2cccc(Cl)c2)[C@@H]1c1cccc(C(=O)O)c1 29327633 RNGZJSFGXQBNHI-ZBEGNZNMSA-N 329.787 3.839 0 1 EHAF CN1[C@H]2CC[C@@H]1[C@H]([C@H](O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 36177580 FSULAQVXMVICFX-JARUQAPTSA-N 333.781 3.830 0 1 EHAF C[C@@]12CCCN1C(=S)N(c1ccc(Cl)c(C(F)(F)F)c1)C2=O 40762208 GJNILVBOYMXIKS-ZDUSSCGKSA-N 348.777 3.845 0 1 EHAF COc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1OC 49051068 WIUGCZXLMMEFRD-UHFFFAOYSA-N 339.347 3.716 0 1 EHAF CCCCC[C@@H]1/C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 58528830 BJXHXZDHQUYRMA-JBJZNRECSA-N 334.456 3.731 0 1 EHAF Fc1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 73195875 BCWWOQGYOZHXPA-UHFFFAOYSA-N 344.367 3.939 0 1 EHAF CC(C)CNc1ncnc2c1nc(C(C)C)n2CCc1ccccn1 82178127 XQDJHCTYUBGEKJ-UHFFFAOYSA-N 338.459 3.655 0 1 EHAF C[C@H]1CO[C@@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CN1 117729870 ODDKKIURLFRFMA-YVEFUNNKSA-N 330.815 3.642 0 1 EHAF C=C1C(=O)O[C@@H]2C(=O)[C@H](C)CCCC(C)=CCC[C@@]3(C)O[C@@H]3C[C@@H]12 299811544 FGMVUGQMSRSYDL-LPPNQSFOSA-N 332.440 3.747 0 1 EHAF O=C(O)/C=C\c1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586878697 GTDXWIGRWBINKX-WAYWQWQTSA-N 336.244 3.884 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc2c1 586903481 PORKGOGDDBZWNS-WFASDCNBSA-N 342.782 3.572 0 1 EHAF O=C1O/C(=C/c2nc3cccc(Br)c3[nH]2)c2ccccc21 586905813 CSRDANTXRMKYFI-MDWZMJQESA-N 341.164 3.994 0 1 EHAF Cc1cc(F)c2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c2c1 586947746 DHEBAVBCGVYCTJ-UHFFFAOYSA-N 347.415 3.828 0 1 EHAF Clc1ccc(-c2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)nn1 587085140 LTELQBBJUHAVRQ-UHFFFAOYSA-N 343.177 3.784 0 1 EHAF C[C@H](F)[C@H](N)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587122993 HFOMMDBJDMNDOH-IGJIYHIXSA-N 340.118 3.702 0 1 EHAF CC1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)COCOC1 587209989 ZRLUTSPWMSOPNP-UHFFFAOYSA-N 331.371 3.708 0 1 EHAF COc1cc(OC)c2[nH]c(C[C@H](N)c3cccc4ccccc34)nc2c1 587258339 HPKCUFNIKRBACU-KRWDZBQOSA-N 347.418 3.976 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(OCCF)c1)[C@@H](C2)C3=O 587425003 ZXPYSGWXVGRMAP-HNAYVOBHSA-N 328.339 3.532 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CSCc4c(F)cccc41)[C@@H](C2)C3=O 587426367 CRBVGJAYDMIFJE-LIRRHRJNSA-N 342.391 3.724 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccc(C)n1)[C@@H](C2)C3=O 587430539 IQPZEUWDKBCNCC-BTYIYWSLSA-N 346.386 3.678 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)cn1)CC2=O 587487825 OHELPYBWAILIHK-IBGZPJMESA-N 327.380 3.629 0 1 EHAF O=C1C[C@@](c2cccnc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 587526569 QFDGXLVEUWUZLM-OAQYLSRUSA-N 345.402 3.593 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3OCCC[C@@H]32)N1 587842179 PNSUHWHHKNGOGY-UKYNSIFLSA-N 340.236 3.517 0 1 EHAF COc1ccc(C[C@H](C)c2nc3c(Cl)ccnc3[nH]2)cc1OC 587925695 GWBBQHUVMMQMPO-JTQLQIEISA-N 331.803 3.975 0 1 EHAF COc1ccc(C[C@H](C)c2nc3cccc(OC)c3[nH]2)cc1OC 587926981 QLLCWXWAXREDRL-LBPRGKRZSA-N 326.396 3.935 0 1 EHAF O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC=C(Cl)C1=O 1772622725 UENNTZFSMHGBCB-VOTSOKGWSA-N 329.705 3.600 0 1 EHAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@@H](N)C2 1857594794 KBBAPXTZBPSXLZ-SNVBAGLBSA-N 343.477 3.799 0 1 EHAF CC=C1C(=O)O[C@@H]2CC(C)=C([C@H](C)CCCC(C)=O)[C@@H](OC(C)=O)[C@H]12 2356353912 UKRMILBDFWSESA-ARHVJBTESA-N 348.439 3.522 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](O)[C@@]13C[C@H]4[C@@H](C[C@H]21)[C@@]4(C)C3 2356587258 FHAKHBBLAZVFBS-PMLZZOKWSA-N 332.484 3.789 0 1 EHAF CNc1nc(NCCOc2ccccc2Cl)c2sccc2n1 61908768 UHNWEKMJZYLSCO-UHFFFAOYSA-N 334.832 3.877 0 3 EHAF CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 61926683 ZILMILXLOOVPNT-LBPRGKRZSA-N 343.345 3.511 0 3 EHAF CN(CCc1ccc2c(c1)OCO2)C[C@H]1CCCc2c(O)cccc21 13761401 MECKYHKPXNUNIA-MRXNPFEDSA-N 339.435 3.715 0 1 EHAF COc1c(C)c(O)c(C=O)c2c1[C@H](OC)C[C@@H](c1ccccc1)O2 15217555 YQWKJLXULCUUKI-LSDHHAIUSA-N 328.364 3.733 0 1 EHAF biogenic CC(C)(C)c1cc(Cc2cnc(N)nc2N)cc(C(C)(C)C)c1O 28263859 UUSSTJBDWHEZEH-UHFFFAOYSA-N 328.460 3.532 0 1 EHAF Cc1c([C@@H](C)c2c(F)cccc2F)nc(N2CCC[C@@H](C)C2)[nH]c1=O 28866748 BYCKKLNCIFUEKA-NEPJUHHUSA-N 347.409 3.745 0 1 EHAF C[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)CC1=O 29218121 JGGKOMOQMSZYOH-TXUCAZNCSA-N 339.479 3.676 0 1 EHAF CCCC[C@@]12C[C@]1(C(=O)N(C)CC)C(=O)Nc1ccc(Cl)cc12 34821576 ORJLIOXADAPXQD-ZWKOTPCHSA-N 334.847 3.589 0 1 EHAF CC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 43077915 JMTMVEOVHWVKNI-UHFFFAOYSA-N 325.387 3.827 0 1 EHAF CN(Cc1ccccc1)[C@@H]1CCN(c2ccc(-c3ccccc3)nn2)C1 45337210 TVOQOQZONORGPY-HXUWFJFHSA-N 344.462 3.854 0 1 EHAF CCn1nc(-c2ccnc(Nc3ccc(O)cc3)n2)c2ccccc21 84742118 YUHLNFSDYYIQQR-UHFFFAOYSA-N 331.379 3.962 0 1 EHAF COc1ccc(/C=C2/N=C(C)N(c3ccc(C(C)=O)cc3)C2=O)cc1 103197207 LCICKTDQLVZVMI-XDHOZWIPSA-N 334.375 3.704 0 1 EHAF O=C(Nc1ccc(CC[C@H]2CCCNC2)cc1)c1ccc(Cl)cn1 117723233 WNVXPYNORDRACQ-OAHLLOKOSA-N 343.858 3.920 0 1 EHAF CCCC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 140826749 AADWVLWNYMTJAC-UHFFFAOYSA-N 346.394 3.754 0 1 EHAF CC(C)=CC(=O)O[C@@H]1CC=C(C)[C@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C 238771530 ZACZCBVDYCXGOH-XLNVAJBGSA-N 332.440 3.808 0 1 EHAF Cc1cc(-c2ccc(F)cc2)nc(NC[C@H]2CC[C@H](C(=O)O)CC2)n1 299820039 DHRGOOQIKLOYSU-CTYIDZIISA-N 343.402 3.894 0 1 EHAF COc1ccc(-c2cc3c4ccccc4n(C(C)=O)c3nn2)cc1OC 299827065 OKVDKAJOIXEDMW-UHFFFAOYSA-N 347.374 3.929 0 1 EHAF CCS(=O)(=O)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586887685 HEURNGFYPNBSGI-VODUFIJXSA-N 344.480 3.824 0 1 EHAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(OC(C)C)cc2[nH]1 586922628 QOXVNXLELIVWRQ-UHFFFAOYSA-N 344.436 3.811 0 1 EHAF Oc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587008618 ZIQOFMQAAMTUHU-UHFFFAOYSA-N 329.157 3.574 0 1 EHAF Fc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c(F)c1F 587043546 ZYHRNRGVQVZCMX-OLZOCXBDSA-N 349.381 3.927 0 1 EHAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2nc(Cl)c[nH]c-2n1 587075826 NFKFAPKZHCPTKG-UHFFFAOYSA-N 345.193 3.772 0 1 EHAF N=c1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c[nH]1 587112108 KUATYRNUYPQZBV-UHFFFAOYSA-N 329.285 3.604 0 1 EHAF CCc1ccccc1NC(=O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587240742 JSMMXGDXCZQKJQ-UHFFFAOYSA-N 337.276 3.934 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C[C@@H](C)O)c1)CC2=O 587486982 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3.976 0 1 EHAF Oc1nc2cnc3ccc(-c4cccnc4)cc3c2n1C1CCOCC1 1857750873 JLXIBUDLTIZWFC-UHFFFAOYSA-N 346.390 3.704 0 1 EHAF CCCC[C@H](CCCCC(=O)O)c1ccc(S(=O)(=O)O)cc1 2356849671 PLMAIIGPUFQJCH-CYBMUJFWSA-N 328.430 3.852 0 1 EHAF COc1ccc([C@@H]2c3c(n[nH]c3C)N=C3CC(C)(C)CC(=O)[C@H]32)cc1 9692056 ZRHYTCOPPFMLFP-MSOLQXFVSA-N 337.423 3.950 0 1 EHAF O=C(Nc1ccc(Cl)c(Cl)c1)c1[nH]c(=O)c2ccccc2c1O 13817102 PCUKDWZJOVLADT-UHFFFAOYSA-N 349.173 3.793 0 1 EHAF C[C@H](C(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 26386050 WABPWKRYVLWCHS-JXRLQNNTSA-N 345.483 3.621 0 1 EHAF O[C@H](COc1ccc(Oc2ccccc2)cc1)CO[C@@H]1CCCCO1 26390063 AVEWKRONOBTESG-OXQOHEQNSA-N 344.407 3.762 0 1 EHAF COc1ccc(CC[C@@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1F 33997311 BHDFVGKYAAFRKM-IBGZPJMESA-N 334.387 3.602 0 1 EHAF O=C(N[C@H]1CN2CCC1CC2)c1ccc(Sc2ccccc2)cc1 34006096 MXGCJHXETKTHTH-IBGZPJMESA-N 338.476 3.662 0 1 EHAF CCCCC(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1 43061229 VPYSGZVNQXLYKH-UHFFFAOYSA-N 331.504 3.957 0 1 EHAF 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1 EHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)n1 587080702 XPQQNWWCOAIODB-SECBINFHSA-N 343.818 3.936 0 1 EHAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587088364 LRDGMHBIVXZLFG-ZETCQYMHSA-N 343.280 3.634 0 1 EHAF CCOc1cc(/C=C\c2nc3cncnc3[nH]2)ccc1OC(F)F 587130434 MEDJLZQPDZLJHF-XQRVVYSFSA-N 332.310 3.523 0 1 EHAF CN(C)CCOc1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 587148306 HVHKJXLGYBHWTR-YWEYNIOJSA-N 343.377 3.952 0 1 EHAF COc1cccc(-c2cc([C@@H](O)CO)nc3c2oc2ccccc23)c1 587365730 JLKGFIDGALXOLE-KRWDZBQOSA-N 335.359 3.682 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(C)nc4sc(C)cn14)[C@@H](C2)C3=O 587454149 VFLAKJBGKCGJTL-SJCJKPOMSA-N 340.404 3.510 0 1 EHAF CCCc1c(O)ccc2c1O[C@](Cn1cccn1)(C(C)(C)C)CC2=O 587480934 WTZVZXHVNPKRKZ-HXUWFJFHSA-N 342.439 3.992 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnccc1OCC)CC2=O 587488897 LASJUQIEUCCAMS-SFHVURJKSA-N 327.380 3.845 0 1 EHAF O=C1C[C@](CO)(Cc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587506234 JPWCYTMDSHDFCD-NRFANRHFSA-N 340.394 3.644 0 1 EHAF O=C(O)CCc1c(-c2ccc(F)cc2)[nH]c2c(C(=O)O)cccc12 587638243 UKWMYFMADIZYSD-UHFFFAOYSA-N 327.311 3.689 0 1 EHAF COc1cccc(-c2csc(CCNC(=O)c3ccccc3)n2)c1 653847643 JGCBRHICRXOQNR-UHFFFAOYSA-N 338.432 3.791 0 1 EHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H]([C@@H]2C[C@H]2c2ccc(Cl)cc2)N1 962907008 SBHDLWBGQNBVFH-KPEUIFRASA-N 345.801 3.923 0 1 EHAF COC(=O)c1ccc(C[C@]2(C)NCCc3c2sc(C)c3C)cc1 963009313 LGANVZAPWWQINQ-IBGZPJMESA-N 329.465 3.755 0 1 EHAF O=C(NCCCC1CCCCC1)c1cc2ccc(O)cc2oc1=O 1857535621 DYIABTPPPKMHPT-UHFFFAOYSA-N 329.396 3.589 0 1 EHAF C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(C2CCCCC2)o1 1356119 NMXYKASOGGHWSV-STQMWFEESA-N 337.489 3.999 0 3 EHAF CCOC(=O)C1(C(=O)OCC)C(C(C)(C)C)=C(C)c2ccccc21 1630957 XXOYHVQGWXKWBW-UHFFFAOYSA-N 330.424 3.884 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 13704287 NJLPSMMQNKWUSJ-GRYWWZJOSA-N 332.484 3.774 0 1 EHAF COc1ccc2c(c1)c1c(n2C)CCCC[C@@H]1CNC(=O)C1CC1 13777922 IGMQCLZAUXBGFX-CQSZACIVSA-N 326.440 3.523 0 1 EHAF COc1ccc(-c2oc3c(C)c(O)c(C)c(O)c3c(=O)c2OC)cc1 14727451 JMMZJPBSEVDXHQ-UHFFFAOYSA-N 342.347 3.505 0 1 EHAF biogenic CCOC(=O)[C@H](Cc1ccccc1)N(C)c1nc2ccccc2s1 28004487 JLMRWHZSCGCFTE-INIZCTEOSA-N 340.448 3.907 0 1 EHAF O=c1[nH]c2cc3c(cc2o1)[C@@]12CCCC[C@H]1[C@@H](C3)N(CC1CC1)CC2 28714159 QLWCMBZVQJGYTM-RRMPHLOHSA-N 338.451 3.590 0 1 EHAF in-vivo Cc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1 70454753 SCDFQPOJCPEIBW-UHFFFAOYSA-N 325.437 3.734 0 1 EHAF Fc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1 71334698 IWVBHQLYFBZWHL-UHFFFAOYSA-N 338.173 3.720 0 1 EHAF C[C@H](N[C@@H](C[C@@H](O)c1ccc(Cl)cc1)C(=O)O)c1ccccc1 84615711 XEIVNVLGRBAYEH-AFAVFJNCSA-N 333.815 3.568 0 1 EHAF CC(C)(C)OC(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21 84688951 LGRWBGUJNLXMTQ-UHFFFAOYSA-N 325.364 3.603 0 1 EHAF C[C@H](O)c1ccc(-c2ccc(C(F)(F)P(=O)(O)O)cc2)cc1 96284993 OVOXSLJHZLPCLT-JTQLQIEISA-N 328.251 3.634 0 1 EHAF C=Cc1cccc(-c2cc3c(cc2C(=O)O)OCO3)c1N(C)CC 96909162 HYFJUEZUCYWRGU-UHFFFAOYSA-N 325.364 3.880 0 1 EHAF COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2CCCO[C@H]21 299812226 KAIRBWGUKDEUFM-ABRSGEMJSA-N 346.398 3.515 0 1 EHAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(=N)[nH]cc3[nH]2)c1 586880891 CQAWWVCEJNTLAG-UHFFFAOYSA-N 342.402 3.885 0 1 EHAF O=C(O)c1ccccc1/C=C\c1nc2cc3c(cc2[nH]1)OCCCO3 586881161 UJIYWKCZVYWCKA-SREVYHEPSA-N 336.347 3.593 0 1 EHAF OCc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 586895493 JSWIYRNTKAQSAM-UHFFFAOYSA-N 338.592 3.533 0 1 EHAF Cc1c(Br)cnc2[nH]c([C@@H]3COc4ccccc4O3)nc12 586918625 QIAXJFRXQYFZJA-LBPRGKRZSA-N 346.184 3.541 0 1 EHAF Cc1onc(-c2nc3cnncc3[nH]2)c1COc1ccccc1Cl 587063146 FSEQILHZLGXPJB-UHFFFAOYSA-N 341.758 3.549 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(F)c(F)c(F)c1F)[C@@H](C2)C3=O 587424520 OXOLTYWVWPRFEW-HUTHGQBESA-N 338.256 3.740 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(CCOCc1ccccc1)[C@@H](C2)C3=O 587440555 HENIBUHIMZAZFK-LAUBAEHRSA-N 338.403 3.808 0 1 EHAF CCOC(=O)c1[nH]ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522313 DTOHAIHKMXFMLW-QGZVFWFLSA-N 339.391 3.777 0 1 EHAF Cc1noc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587271 NHXIFZYPFODGAQ-LPHOPBHVSA-N 337.331 3.700 0 1 EHAF Cc1oncc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793086 JLJRGSPFPMIXAK-GLEZIHRCSA-N 339.208 3.682 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCO2)N1 587843956 VHVTYCXOOKWBPH-AMFBXLIHSA-N 328.225 3.517 0 1 EHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Cl)cnc4[nH]1)(C3)C2 587951039 VKOFKMIYJNHRTP-CCHVVGMOSA-N 345.830 3.765 0 1 EHAF Cc1c(F)ccc2c1[C@H](c1cnn(-c3cccc(F)c3)c1)NCC2 962094678 UNNNDVWPFLIAHL-IBGZPJMESA-N 325.362 3.694 0 1 EHAF Cc1ccc2c([C@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)cn(C)c2c1 963015314 ARKQXZMUOJDTRT-FPTDNZKUSA-N 345.446 3.629 0 1 EHAF C[C@H](N)c1csc(NC(=O)c2cccnc2Oc2ccccc2)n1 1857605183 OBQWIRYRBIJQNK-NSHDSACASA-N 340.408 3.602 0 1 EHAF Cc1ccc(Oc2nc(=N)nc(Nc3ccc(F)cc3)[nH]2)c(Cl)c1 1857767663 NRKMONYDMJQDBP-UHFFFAOYSA-N 345.765 3.921 0 1 EHAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56CCC[C@@H]5C=CC[C@]4([C@@]36C)[C@]21O 2356356028 JXQHFTDLSRGNLB-WPQCCBBXSA-N 342.479 3.987 0 1 EHAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@H](CO)C(=O)O)[C@@H](O)C1 2356777644 APNQDBXMTOZFPF-XDNAFOTISA-N 326.477 3.764 0 1 EHAF CCC[C@H](O)CCCCC[C@@H]1C[C@@H](O)[C@@H](Cc2ccccc2)N1C 2356800864 QITOQUWXCAMNFM-PLACYPQZSA-N 333.516 3.774 0 1 EHAF CC(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)NCC(C)(C)C)cc1 61925846 WMRVJUUXUIEJLV-NRFANRHFSA-N 344.499 3.506 0 3 EHAF Cc1ccsc1C(=O)N1CCCCC[C@@]1(C)C(=O)NCC(C)C 61928649 VYBSSBYDEGOQSC-SFHVURJKSA-N 336.501 3.604 0 3 EHAF CCc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 427122 NPUDFCMVIFGKFZ-UHFFFAOYSA-N 343.448 3.502 0 1 EHAF CC(C)(C)c1noc(-c2cccc3ccccc23)c1C(=O)NCCO 2483857 NAUAVXGODABFTO-UHFFFAOYSA-N 338.407 3.514 0 1 EHAF Cc1cc(C)n(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)n1 13651172 WOQQHRYQNNEDPW-FQEVSTJZSA-N 346.430 3.802 0 1 EHAF CC(C)CC(=O)OCc1ccc([C@@]2(C)CO2)c(OC(=O)C(C)C)c1 15169432 YADOGSYJSKDJQI-LJQANCHMSA-N 334.412 3.583 0 1 EHAF biogenic O=C(O)c1ccc(C(=O)O)c(NCCCc2ccc(Cl)cc2)c1 29206302 CGBFOGNARMGDKQ-UHFFFAOYSA-N 333.771 3.781 0 1 EHAF COc1ccccc1CNc1cc(-c2cc(F)ccc2OC)ncn1 82161692 LMFBCORJISRYDH-UHFFFAOYSA-N 339.370 3.912 0 1 EHAF CCn1cnc2c(Nc3ccccc3)nc([C@H]3CC[C@H](N)CC3)nc21 100568732 NYTAZFDBGPHKNK-OKILXGFUSA-N 336.443 3.575 0 1 EHAF COc1cc(C(=O)c2cc3cc(N)ccc3s2)cc(OC)c1OC 103233952 VLKRUYISSBQNBB-UHFFFAOYSA-N 343.404 3.740 0 1 EHAF Cc1cccc(C(=O)N2CCC(=CC#Cc3cccc(C)n3)CC2)c1 142188994 GNTARZNMPMOBPT-UHFFFAOYSA-N 330.431 3.913 0 1 EHAF COC(=O)c1ccc(NCc2c(-c3ccc(F)cc3)noc2C)nc1 142534967 IJOMEPIATFVGEJ-UHFFFAOYSA-N 341.342 3.583 0 1 EHAF CC(C)NC(=O)c1ccc2c(c1)-c1ccccc1[C@]2(O)C(F)(F)F 144701177 UEIKXHJOWDDNQL-QGZVFWFLSA-N 335.325 3.603 0 1 EHAF Cc1ccc(-n2nc(C)c(CC(=O)c3cc(O)ccc3O)c2C)cc1 148499377 FXWPWXQSBYIRQJ-UHFFFAOYSA-N 336.391 3.634 0 1 EHAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2C)c1 221711559 JEMDNEOTFNNPST-CQSZACIVSA-N 335.407 3.885 0 1 EHAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(C)[C@@H]1CC[C@H](O)[C@]2(C)O)CC(=O)O 238762543 HXWFNTAOIMPSJN-QPQQWRKNSA-N 340.504 3.842 0 1 EHAF Nc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1N 586895110 PDQXDPWBBRCOAS-UHFFFAOYSA-N 330.391 3.554 0 1 EHAF C/C(=C\c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)NCCO 586995915 KMRHPYIGRHQUQM-SDNWHVSQSA-N 344.414 3.697 0 1 EHAF COC(=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2n1 587028093 NXXUISACWYTDEA-UHFFFAOYSA-N 336.376 3.535 0 1 EHAF CN(C)C(=O)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 587033708 ZZSVYIASJXQTKV-UHFFFAOYSA-N 337.404 3.852 0 1 EHAF C[C@@H](c1nc2cnncc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129661 ZBRBHAWJYWTSBN-BYPYZUCNSA-N 348.691 3.687 0 1 EHAF Cc1cncc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587224314 RHXMIYKBZDRHNS-LJQANCHMSA-N 342.402 3.786 0 1 EHAF COc1nccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 587235053 DQRQHRDOBBLSBW-VXGBXAGGSA-N 346.431 3.517 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(C4CC4)n(C(C)C)n1)[C@@H](C2)C3=O 587431612 KYMZQTCSLADZNQ-VBKZILBWSA-N 338.407 3.839 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc(C)cc(C)c1OC)[C@@H](C2)C3=O 587440766 ARVYBDRVUNLBGO-BTYIYWSLSA-N 338.403 3.983 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(O)ccc1N)CC2=O 587473237 RLWVEMXGBMIUAW-IBGZPJMESA-N 327.380 3.513 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1cnn3C)CC2=O 587475234 KQMSECQBFGVLTG-IBGZPJMESA-N 336.391 3.938 0 1 EHAF Cc1nc(O)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587536075 QXRBOZOKYWVSLR-GOSISDBHSA-N 329.421 3.917 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2N)N1 587740577 BETPEYSKAISXIM-DYZYQPBXSA-N 349.247 3.968 0 1 EHAF C/C(=C\N(C)C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587744198 ZGSQGYDWEBFZMO-AZZDBCTDSA-N 327.241 3.629 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3OCCC[C@@H]32)N1 587842175 PNSUHWHHKNGOGY-OUTPDUCRSA-N 340.236 3.517 0 1 EHAF C/C=C1/NNC(=O)C(c2nc(-c3ccc(F)c(F)c3)cs2)=C1CC 587922089 JXTNVMHBVBDNAQ-YIXHJXPBSA-N 347.390 3.790 0 1 EHAF CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2)CC1 61898668 IBIDDJMJXLCKII-INIZCTEOSA-N 325.408 3.645 0 3 EHAF C/C=C(/C)C(=O)O[C@H]1C=C(C)CC[C@@]2(O)[C@@H](C(C)C)C(=O)C[C@@]12C 15052324 LHKYRISHBMMAIZ-JMNPCMRGSA-N 334.456 3.587 0 1 EHAF biogenic,in-vitro COc1cc2c(cc1OC)[C@H](C[C@H](O)c1ccc(Cl)cc1)NCC2 28525061 PWAWBYGMUYUAIE-IRXDYDNUSA-N 347.842 3.668 0 1 EHAF Cc1cc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)nc(C)n1 40405179 VAKXHUIAOKGKTG-ZSWVUIPGSA-N 343.496 3.716 0 1 EHAF O=C(Nc1nc2cccc(-c3cccc(C(F)(F)F)c3)n2n1)C1CC1 96282552 LVCFGMLUOSJAOL-UHFFFAOYSA-N 346.312 3.764 0 1 EHAF Cn1[nH]c(C2CC2)c2nc(-c3cnn(-c4ccccc4Cl)c3)nc1-2 103593706 CRJZERUTYVGDBN-UHFFFAOYSA-N 338.802 3.632 0 1 EHAF [O-][n+]1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1 299871763 ZEUXUFNWDJJCQG-UHFFFAOYSA-N 331.331 3.829 0 1 EHAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(Cl)c(C)c3[nH]2)c1 586923058 XEHOCMCILYETBQ-UHFFFAOYSA-N 348.855 3.909 0 1 EHAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(Cl)ccnc2[nH]1 587108640 NONBKBCQOPIUDE-UHFFFAOYSA-N 341.676 3.995 0 1 EHAF Cc1cnc(Cl)c2[nH]c(/C=C\C(=O)Nc3ccc(F)cc3)nc12 587167861 YYPKRMRFCSMSGY-SREVYHEPSA-N 330.750 3.711 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCc4c(F)cc(F)cc41)[C@@H](C2)C3=O 587428698 QCSPYZIBOQIZTK-LIRRHRJNSA-N 328.314 3.563 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)O)co1)CC2=O 587487422 ZXLSRCVCVYQCPE-GOSISDBHSA-N 330.336 3.517 0 1 EHAF CCCC[C@@]1(C(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602369 JNZKBIXEOCOVPU-PXNSSMCTSA-N 340.375 3.872 0 1 EHAF Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587609783 DEWITPJYURHKPI-YOEHRIQHSA-N 339.372 3.860 0 1 EHAF Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587774053 LCVQMTRVWYWSNK-MLXNANBUSA-N 339.208 3.817 0 1 EHAF CCC1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)COC1 587832007 ASOOOGRVSFHUKT-ZUZCIYMTSA-N 342.252 3.764 0 1 EHAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(Br)c(F)c2[nH]1 587961486 GEASOHPVDIYITO-YUMQZZPRSA-N 325.181 3.622 0 1 EHAF Cc1c(F)ccc2c1[C@@H](c1cccnc1OCC(F)(F)F)NCC2 962093929 SACOGYVXLXSRCC-OAHLLOKOSA-N 340.320 3.705 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)Cc1ncccc1C(=O)O 963243305 RMNZBWHKQBEGRL-VFNWGFHPSA-N 338.451 3.894 0 1 EHAF Oc1ccc2c(c1)[C@H](c1nc3ccc(C(F)(F)F)cc3[nH]1)NCC2 963330243 VUEOMBWNOXRAKB-OAHLLOKOSA-N 333.313 3.522 0 1 EHAF c1ccc2c(c1)c1nc3c(nc1n2CCN1CCCCC1)CCCC3 1772594271 RTIXXQTYQSTRSG-UHFFFAOYSA-N 334.467 3.949 0 1 EHAF CC(=CC(=O)O)CC[C@H]1[C@@]2(C)CCC[C@](C)(CO)[C@H]2CC[C@@]1(C)O 2356478564 IYSBWLRXTOIYFZ-LWASTNQWSA-N 338.488 3.764 0 1 EHAF C[C@@]1(CCc2ccoc2)[C@@H]2CCC=C3C(=O)OC[C@@]32CC[C@H]1CO 2356543230 IUUPLAKTJXUQFN-UHMOLFJZSA-N 330.424 3.500 0 1 EHAF CC(=O)[C@@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356544332 LNEQZQKOSDQBNG-BSFVHDJNSA-N 332.484 3.774 0 1 EHAF CC(C)C[C@@H](COc1ccccc1)N1CCN(CC(C)C)CCC1=O 12474495 ZYKGZFBQFDFCFV-IBGZPJMESA-N 346.515 3.670 0 3 EHAF Cc1ccc(-c2c(NC(=O)c3ccccc3)nc3ncccn23)cc1 203466039 BSIXROFGLGHPGK-UHFFFAOYSA-N 328.375 3.957 0 3 EHAF O=C1c2ccccc2[C@]2(c3ccc(Cl)cc3)N[C@@H]3CCCC[C@@H]3N12 1862001 MXXCXERMDNXHFJ-WSTZPKSXSA-N 338.838 3.911 0 1 EHAF CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4211334 NQMMFQKPYJNYNV-DOTOQJQBSA-N 328.799 3.520 0 1 EHAF CCOC(=O)c1cc(N)nc(SCc2ccc3ccccc3c2)n1 5844716 YNYKHNHEVQJZNY-UHFFFAOYSA-N 339.420 3.681 0 1 EHAF COc1ccc(/C(C)=C/c2cc(OC)c(OC)c(OC)c2)cc1O 13607896 SHVSIJQTBJWBAO-XYOKQWHBSA-N 330.380 3.987 0 1 EHAF CC/C=C\C/C=C\C[C@H](O)[C@@H](O)/C=C/[C@@H]1C/C=C\CCCC(=O)O1 14768269 OIBRTSVGCWTYLU-LSNDDYCVSA-N 334.456 3.609 0 1 EHAF Cc1nccn1CC[C@H](C(N)=O)C1c2ccccc2Oc2ccccc21 26261951 RXWFWALKVIDZCQ-KRWDZBQOSA-N 347.418 3.621 0 1 EHAF CCCN(c1c(C)cccc1Cl)S(=O)(=O)c1ccc(O)cc1 28569513 KJKUMJUCTDAWIP-UHFFFAOYSA-N 339.844 3.959 0 1 EHAF CCc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 28958705 SZGYLGXRXFXPNA-UHFFFAOYSA-N 329.407 3.966 0 1 EHAF C/C=C(/C)C(=O)OC/C=C(/C)C(=O)OC/C=C/c1ccc(OC)cc1 39093210 OOFFFDNFBGROFL-WYWILGHBSA-N 344.407 3.707 0 1 EHAF CCCN1CCC(c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 95589021 WRHIHRXLCMBVOL-UHFFFAOYSA-N 335.391 3.570 0 1 EHAF Cc1ccccc1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 101559113 ZRLTYTLPSGRSKI-WOJBJXKFSA-N 334.463 3.920 0 1 EHAF OC1=C2C(=Nc3nnnn3[C@H]2c2cccc(Cl)c2Cl)CCC1 103627857 OPOWKPVQAKJYKX-ZDUSSCGKSA-N 336.182 3.651 0 1 EHAF O=C(CCc1ccccc1Cl)Nc1ccc([C@H]2CCNC2)cc1 117743954 BTZDJKQJJANFCG-INIZCTEOSA-N 328.843 3.988 0 1 EHAF Cc1ccc([C@@H](C)[C@H](O)c2nc3c(Br)ccnc3[nH]2)cc1 586887185 HGQANQHZTDNGDE-YGRLFVJLSA-N 346.228 3.866 0 1 EHAF N=C(N)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587032991 ORCVKXWAQHERPA-UHFFFAOYSA-N 347.447 3.855 0 1 EHAF COc1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2cc1OC 587112413 MLLNKYLTOOXARJ-UHFFFAOYSA-N 325.290 3.604 0 1 EHAF Fc1ccc(-c2cnn(Cc3nc4c(Cl)ccnc4[nH]3)c2)cc1 587165036 JXZBKHWOPMRLPU-UHFFFAOYSA-N 327.750 3.662 0 1 EHAF Fc1nc(Cl)ccc1-c1nc2cncc(Br)c2[nH]1 587177358 FXPHRPYPBSWHQJ-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF O=C(O)C[C@@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587207731 WRHWEZMQAQIZTD-NSHDSACASA-N 329.355 3.951 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ncc(Cl)cc31)O2 587379035 FVXCIJKSQORCCJ-SFHVURJKSA-N 328.799 3.823 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccccc1N1CCCC1)[C@@H](C2)C3=O 587444423 OPVYPCJWSSBKFT-HRAATJIYSA-N 335.403 3.784 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc3c1OCCC3)CC2=O 587489712 NJPTYACFKXITLF-GOSISDBHSA-N 339.391 3.771 0 1 EHAF O=C1C[C@@H](Cn2c(=O)oc3ccccc32)Oc2c1ccc1c2CCCC1 587519196 WPMKGAMUHVBTBD-AWEZNQCLSA-N 349.386 3.507 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC[C@@H]1CCCO1 587619701 YVHCEKXUKFKJQN-OWQGQXMQSA-N 340.375 3.682 0 1 EHAF C[C@H]1C[C@@]2(C[C@@H](C)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 587829906 CYDDWXKOHUZMFD-OJLPPKNESA-N 342.252 3.905 0 1 EHAF Cc1cc(NCCN)nc(CCCCCCCCCCCCN)n1 1772619725 YAJHQAIKKMVGJQ-UHFFFAOYSA-N 335.540 3.558 0 1 EHAF O=C(CCSc1nc2cc(Cl)ccc2o1)N1CCC(F)(F)C1 1857605072 UBTZXOYWJQOGLD-UHFFFAOYSA-N 346.786 3.831 0 1 EHAF C[C@@H]1c2ccoc2C[C@@H]2[C@@H]1CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C(=O)O 2356598462 QRMVWXGDIZSPKK-UNALVGEXSA-N 346.423 3.927 0 1 EHAF Cc1cc(C)n2c(Nc3ccc4c(c3)OCCO4)c(C3CC3)nc2n1 95568215 SQWSYVQSURRUEL-UHFFFAOYSA-N 336.395 3.738 0 3 EHAF C=CC1=C([C@H](C)c2cccc3c2COC3=O)[C@H](c2ccoc2)OC1=O 14690296 SOQMKYUDTQPTRT-ZMZPIMSZSA-N 336.343 3.834 0 1 EHAF biogenic C[C@H](CCO)CC[C@@H]1C(C(=O)O)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C 15061367 XEDCLIOKVSOTJJ-NRJZREQNSA-N 338.488 3.619 0 1 EHAF biogenic c1ccc2c(c1)Oc1ccccc1C2SCCN1CCOCC1 25971716 WWRSMFYFTCGBJM-UHFFFAOYSA-N 327.449 3.947 0 1 EHAF Oc1cccc(-c2nc3ccc(C4=N[C@@H]5CCCC[C@H]5N4)cc3[nH]2)c1 45226521 VKALQAQSZJKIQG-HZPDHXFCSA-N 332.407 3.597 0 1 EHAF NC(=O)c1cc(-c2ccncc2)[nH]c1-c1cccc(Br)c1 64526396 VCHRCLNIIWLDLA-UHFFFAOYSA-N 342.196 3.605 0 1 EHAF COc1cc(C[C@H]2CCCC[C@H]2O)cc(Br)c1OC 73197500 IDQRGCHJUZGJGW-DGCLKSJQSA-N 329.234 3.560 0 1 EHAF COc1ccc(SC[C@@H](O)Cn2ccc3ccccc32)c(OC)c1 84690728 GJQZBLWTGNJYIB-HNNXBMFYSA-N 343.448 3.812 0 1 EHAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1C 103531675 KHSHCWFFWRMDIS-SCDSTIRESA-N 326.400 3.868 0 1 EHAF c1ccc(-c2nccnc2C2CN(Cc3nc4ccccc4[nH]3)C2)cc1 144568318 DSBBXAPRCAEDOO-UHFFFAOYSA-N 341.418 3.619 0 1 EHAF CCOc1cccc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1 204760467 CMNCIJKGYUUTDZ-UHFFFAOYSA-N 337.408 3.729 0 1 EHAF O=C(O)c1n[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc12 216021864 KRYYLQKIPMTRNQ-UHFFFAOYSA-N 342.782 3.953 0 1 EHAF O=C1CC[C@H]2CN(CCc3ccccc3)CC[C@H]2N1c1ccccc1 299810506 BBZVFMINWXZIBV-PZJWPPBQSA-N 334.463 3.747 0 1 EHAF Cc1c(-c2nc3c(F)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029355 MVEBIZREYXZWEM-UHFFFAOYSA-N 340.383 3.852 0 1 EHAF Fc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1F 587040160 GFBKAYVHTYJORC-KBPBESRZSA-N 331.391 3.787 0 1 EHAF Fc1cc(F)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2c1 587092175 SKCPKQZWHZFGFC-UHFFFAOYSA-N 329.228 3.844 0 1 EHAF O=C(NCCc1nc2cnc3ccccc3c2[nH]1)OCc1ccccc1 587227845 AHVDQHVOHDNIOI-UHFFFAOYSA-N 346.390 3.580 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cncn1Cc1ccccc1)O2 587390183 KYAANASEJJPLCV-LJQANCHMSA-N 333.391 3.529 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCc4cccc(Cl)c41)[C@@H](C2)C3=O 587421746 MWUOVKLPCVSHIH-DJJJIMSYSA-N 326.779 3.938 0 1 EHAF COc1cc2c3c(c1)O[C@]1(COCc4cccc(Cl)c41)[C@@H](C2)C3=O 587422352 PFRGAIUVQXOIBM-ORAYPTAESA-N 342.778 3.522 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1CC(C)C)CC2=O 587480829 WJXDRAJTTWYPBM-SFHVURJKSA-N 328.412 3.904 0 1 EHAF O=C1C[C@@]2(C[C@@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 587529520 OSNFFKGWUXJUQU-VGOFRKELSA-N 348.398 3.998 0 1 EHAF O=C1C[C@@H](CCCCC2OCCO2)Oc2c1ccc1c2CCCC1 587535199 JHRRZSKEVLQBLF-OAHLLOKOSA-N 330.424 3.833 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cccnc12 587589999 ZDWBPXYNLKEKPC-LAUBAEHRSA-N 345.354 3.591 0 1 EHAF CCO[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599304 DYOCRDAIANGRCM-UWVAXJGDSA-N 340.375 3.682 0 1 EHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 587784506 IDKQMMJINWOSFD-NWDGAFQWSA-N 328.318 3.785 0 1 EHAF CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 587791715 GDGPZXRLOOPPGE-ANRSDYALSA-N 339.208 3.762 0 1 EHAF COc1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2cc1C 587952469 RNSNELIIOVBEBF-NFOMZHRRSA-N 332.444 3.958 0 1 EHAF COc1ccc2c(c1)[C@H](c1c(C)nc3sccn13)N[C@H]1CC[C@@H]21 962995187 MHIBJHNLAXDCEU-CWRNSKLLSA-N 325.437 3.651 0 1 EHAF CN1C(=O)C[C@@H]2CN[C@@](C)(CCc3ccccc3F)c3cccc1c32 963036586 UIUXDLCTBLCSPC-VFNWGFHPSA-N 338.426 3.727 0 1 EHAF CC1=C[C@]2(c3cc(F)ccc3O1)c1nc(Cl)cc3c1CCN2C3 963467938 HUQHZAOCBMGLAZ-SFHVURJKSA-N 328.774 3.786 0 1 EHAF Cc1nc(CN(C)Cc2nc(Cc3ccccc3Cl)no2)cs1 13595077 MBRUCRSBPMZHFK-UHFFFAOYSA-N 348.859 3.711 0 3 EHAF CSc1cccc(NC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)c1 201628 ZMMMXDHLOMLFTP-UHFFFAOYSA-N 340.404 3.769 0 1 EHAF Cn1c(-c2ccccc2Nc2cccc(C(F)(F)F)c2)n[nH]c1=O 13828145 IHAOUZLBODKMCL-UHFFFAOYSA-N 334.301 3.538 0 1 EHAF CC(=O)N[P@@](=O)(O)OCCCc1cccc(Oc2ccccc2)c1 40972416 TUTAXVFHGXMUJY-UHFFFAOYSA-N 349.323 3.665 0 1 EHAF O=C(Nc1ccc(O)cc1Cl)c1cc(NC2CCCCC2)ncn1 49525585 JCXGHZCWAHCYGY-UHFFFAOYSA-N 346.818 3.833 0 1 EHAF CC(C)c1cc2c(cc1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2O 66101248 WTPQRFSKUFBXKY-CLWJZODNSA-N 330.424 3.552 0 1 EHAF in-vitro COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)nc2)c1 96285790 TWTCRGHVMYEELT-UHFFFAOYSA-N 336.347 3.840 0 1 EHAF COc1cc(-c2cc3cc(/C=C/C(=O)O)cc(OC)c3o2)ccc1O 96934939 LTTLCZMTVARQBO-ZZXKWVIFSA-N 340.331 3.920 0 1 EHAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(Cc4cocn4)C[C@@H]2N3)cc1 100108329 SXPFQPIEGAOSCE-ZBYYUNFXSA-N 345.446 3.590 0 1 EHAF COc1ccc(/C=C/C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 103236368 SDKWHDPKUPAWRY-BJMVGYQFSA-N 333.391 3.786 0 1 EHAF Cc1ccc(C2=Nc3ccccc3N=C(N3CCN(C)CC3)C2)cc1 139031727 PYEKKRVISHMHEY-UHFFFAOYSA-N 332.451 3.797 0 1 EHAF COc1cccc(CCc2nc3ncc(Br)cc3[nH]2)c1 140274255 MEHGUALSZQFVOT-UHFFFAOYSA-N 332.201 3.514 0 1 EHAF CCCCC[C@H]1/C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 195762581 UTLCNJREJFJDLH-RVEIBMIBSA-N 336.472 3.523 0 1 EHAF C/C(=C\CCC1=CC(=O)OC1)CC/C=C(\C)CC[C@H](O)C(C)(C)O 238781422 QHQVIZDBKVYMNF-YEWYVVRGSA-N 336.472 3.835 0 1 EHAF CN(C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1 299840006 ULQPSHYQULWFSL-UHFFFAOYSA-N 336.750 3.792 0 1 EHAF CC1(C)OC(=O)C[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 586910884 QKDQNZUUVJKLMQ-AWEZNQCLSA-N 336.391 3.951 0 1 EHAF Cc1cc(F)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587043379 ZGTIOTRZOUZCRU-HOTGVXAUSA-N 327.428 3.957 0 1 EHAF 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O=c1c2ccccc2nc(N2CCCC2)n1-c1ccc(Cl)cc1 4034763 WNAUAGDIWFTDRG-UHFFFAOYSA-N 325.799 3.639 0 3 EHAF CC(C)c1ccc(C(C)C)c(CS(=O)(=O)c2cccc[n+]2[O-])c1 3587091 OKJFPDSOGIGEKF-UHFFFAOYSA-N 333.453 3.541 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 4897144 NFVCQZNBRFPYOP-WDDOJFKXSA-N 334.500 3.566 0 1 EHAF CCOc1cc2nnnc(Nc3cccc(Cl)c3)c2cc1OC 103295873 RGYRXTMSIIHOEG-UHFFFAOYSA-N 330.775 3.829 0 1 EHAF CCCCCC[C@@H](C(=O)O)n1cnc(NC(=O)c2ccccc2)c1 27520749 VQFGLWIDQKVQBQ-HNNXBMFYSA-N 329.400 3.732 0 1 EHAF COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CN(C)CC2 21193398 FOSBERYBQBVQOX-UHFFFAOYSA-N 330.815 3.589 0 1 EHAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccccc3)C[C@H]1C=N2 28373698 HNOYIBNHCFTQIK-HNNXBMFYSA-N 334.375 3.675 0 1 EHAF COC(=O)[C@H](C)Oc1ccc(Oc2cnc3ccc(F)cc3n2)cc1 29464200 RCKCEGSEVYXEBD-NSHDSACASA-N 342.326 3.502 0 1 EHAF c1ccc(CCN2CCc3nc(Nc4ccccc4)ncc3C2)cc1 21639874 WCNPGPVNCRKBSQ-UHFFFAOYSA-N 330.435 3.821 0 1 EHAF COc1ccccc1-c1noc(CNC23CC4CC(CC(C4)C2)C3)n1 225185289 DGTCGMIKMXXXTH-UHFFFAOYSA-N 339.439 3.804 0 1 EHAF COc1ccc(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(C)c1 40940293 VDYJDYWYRXWPTL-UHFFFAOYSA-N 337.427 3.690 0 1 EHAF FC(F)(F)COC[C@@H]1[C@H]2CNC[C@]21c1ccc(Cl)c(Cl)c1 45366010 VTIJRYTVJGTTAJ-BREBYQMCSA-N 340.172 3.659 0 1 EHAF Nc1nc(N)c2c(ccc3c2ccn3Cc2cccc3ccccc23)n1 45191999 CTQJXMZTERLFHI-UHFFFAOYSA-N 339.402 3.950 0 1 EHAF Cc1cccc2c(=O)nc(N(Cc3cccnc3)c3cccnc3)oc12 95559102 NIWFDZZVHFIDJD-UHFFFAOYSA-N 344.374 3.625 0 1 EHAF O=S(=O)(CCCCN1CC[C@H]2CCCC[C@H]2C1)c1ccccc1 253639675 MTIXJHOVOPGZFL-MSOLQXFVSA-N 335.513 3.753 0 1 EHAF c1cc(-c2cn3nccc3nc2C2CCCCC2)nc(N2CCCC2)n1 299849885 IJRPLNJFBURWCM-UHFFFAOYSA-N 348.454 3.834 0 1 EHAF O=C(O)CCC(=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587213145 OOIOCDBZZVFXMS-UHFFFAOYSA-N 346.386 3.804 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnccc1C(F)(F)F)[C@@H](C2)C3=O 587418149 AXRMWGZDDCLEOE-QFYYESIMSA-N 335.281 3.598 0 1 EHAF Fc1cccc(Cn2nnc(-c3nc4ccc(F)cc4[nH]3)c2Cl)c1 587161844 RNLMTLYHBRLZPK-UHFFFAOYSA-N 345.740 3.801 0 1 EHAF CC1(C)C(=O)CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990600 LZLLWBHMMAYMTC-UHFFFAOYSA-N 343.382 3.945 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cccc4nc(C)oc14)[C@@H](C2)C3=O 587436150 MOCQXPVDVDDUFE-XOBRGWDASA-N 335.359 3.808 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCC=CO2)N1 587830844 FXGZFXKUTULYGM-NKZPBKNFSA-N 326.209 3.856 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC[C@@H]2CCOC2)N1 587834638 LVIAXLUFFRTXFH-GYSYKLTISA-N 342.252 3.980 0 1 EHAF CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2c(C)cc(Cl)cc12 587627505 ZJYMAQFGTGEMJU-UHFFFAOYSA-N 342.782 3.938 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(C(C)C)nn(C)c1Cl)[C@@H](C2)C3=O 587424139 XGWMNXQKRCHHIR-GTNSWQLSSA-N 346.814 3.694 0 1 EHAF Nc1c(F)c(F)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1F 587137079 RUMOYNITIWDOPN-UHFFFAOYSA-N 347.275 3.554 0 1 EHAF CCC(C)(C)c1ccc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)cc1 586881481 MMYXRCLQSGRLID-UHFFFAOYSA-N 343.452 3.565 0 1 EHAF O=C1O/C(=C/c2nc3ccc(Br)cc3[nH]2)c2ccccc21 586905850 FDHRWZFPBBWYCK-RIYZIHGNSA-N 341.164 3.994 0 1 EHAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2coc3ccccc23)N1 963238353 YPSVNYJINFZMCO-ICSRJNTNSA-N 344.370 3.669 0 1 EHAF CC/C(C)=C/CCC[C@H](C)CCO[P@@](=O)(O)OP(=O)(O)O 12495221 FFBTVOMODCZDNV-VNKGSWCUSA-N 344.281 3.766 0 1 EHAF endogenous,in-man C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 13833787 SKWFVNMXOGFNNC-UHOFOFEASA-N 328.481 3.611 0 1 EHAF O=c1oc(Oc2ccc(Cl)cc2Cl)nn1-c1ccc(O)cc1 169326826 KCGPXEFTOUDVCR-UHFFFAOYSA-N 339.134 3.630 0 1 EHAF O=N[C@H](CCN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1 169719714 BAHJJBRZONVHAX-QGZVFWFLSA-N 344.846 3.755 0 1 EHAF O=C(c1nc2ccccc2s1)c1conc1C(=O)c1cccs1 987971 LZLHZKUHKJIQQW-UHFFFAOYSA-N 340.385 3.808 0 1 EHAF Cc1nc(N2CCN(c3ccc(F)cc3)CC2)c2cc(C)sc2n1 2927780 FSDYZOHDZATMOJ-UHFFFAOYSA-N 342.443 3.774 0 1 EHAF CC(=O)[C@]1(O)[C@H]2CC[C@H]3[C@](CC[C@H]4C(C)(C)CCC[C@]43C)(C2)[C@@H]1CO 13299325 ZHQBBLCLYQVUIP-COEINWTOSA-N 348.527 3.958 0 1 EHAF biogenic COc1cc(CCC(=O)O)ccc1Oc1ccccc1CCC(=O)O 13371394 PFTZPLKUKCNQPZ-UHFFFAOYSA-N 344.363 3.522 0 1 EHAF biogenic O=C1NCCc2ccc3[nH]c(Nc4c(Cl)cccc4Cl)nc3c21 13475197 AORXNTWGMWPIJF-UHFFFAOYSA-N 347.205 3.899 0 1 EHAF NC(=O)c1cc2c(Oc3cccc(Br)c3)cncc2s1 13864384 BFLOGMOHHSGWRO-UHFFFAOYSA-N 349.209 3.950 0 1 EHAF COc1ccc2cc(CC[C@@H](C)[C@H]3SC(=O)NC3=O)ccc2c1 26656272 LTWRJTXVTNEKPC-BDJLRTHQSA-N 329.421 3.769 0 1 EHAF CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 29240451 ZHAZNVULMASDSK-YESZJQIVSA-N 343.508 3.618 0 1 EHAF Cc1nc2c3c(c(C(=O)N(C)C)cc2[nH]1)CC[C@@H](c1ccccc1C)O3 34602435 TXZAPLQUMZHKHY-SFHVURJKSA-N 349.434 3.948 0 1 EHAF COc1cc(C[C@H](C)[C@@H](C)[C@H](O)c2ccc(O)c(OC)c2)ccc1O 35465019 WRCSGYHRSMRAFZ-RDXCRGQUSA-N 346.423 3.663 0 1 EHAF biogenic CCN(CC)C(=O)c1cc(COc2ccc3sc(C)nc3c2)on1 45245272 OSKLSTCUUNQHOS-UHFFFAOYSA-N 345.424 3.654 0 1 EHAF CC[C@H](C)NC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1 82133384 RFPFNYLRNYXREM-HNNXBMFYSA-N 338.455 3.662 0 1 EHAF CC[C@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2ccccc2F)n1 82153028 WTEFKVPDMSLNHO-LBPRGKRZSA-N 330.407 3.585 0 1 EHAF CC(C)(C)c1ccccc1SC1CN(C(=O)c2ccccn2)C1 96177565 ZSFWCKZRUHPJJU-UHFFFAOYSA-N 326.465 3.996 0 1 EHAF COc1ccc(C[C@H]2C(c3cccnc3)=N[C@H]3CC[C@@H]2C3)c(OC)c1 96938709 GPGGKQZICYGAAI-DKSSEZFCSA-N 336.435 3.929 0 1 EHAF CC1(C)C(c2ccc(O)cc2)=C(c2cc(O)cc(O)c2)C(C)(C)N1[O] 102897422 KOELPMFDNKMYLO-UHFFFAOYSA-N 340.399 3.933 0 1 EHAF CC(=O)[C@@]12[C@H](c3ccccc3)[C@@H]3CCN(C(=O)N[C@@H]1c1ccccc1)[C@@H]32 169313521 ALNREWIJIWNNFA-GXQSQTKBSA-N 346.430 3.514 0 1 EHAF COc1ccc(Oc2ccc(N3CCC[C@H]3CC(=O)O)cc2)cc1 205697316 FMZICDYSUKYCEM-HNNXBMFYSA-N 327.380 3.931 0 1 EHAF O=C(c1ccccc1)c1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1 586893411 VYDJREQOKUBNCO-HXUWFJFHSA-N 344.370 3.581 0 1 EHAF O=C1c2ccoc2CC[C@@H]1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 586907494 MBYNARDQCVWUAD-SSDOTTSWSA-N 336.178 3.846 0 1 EHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(F)cc2[nH]1 586964038 SSMNIOXNUJHTII-CYBMUJFWSA-N 348.403 3.758 0 1 EHAF COc1c(F)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1F 587135028 QELHDRZUGPTBSQ-UHFFFAOYSA-N 340.232 3.838 0 1 EHAF CN(C)CCOc1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587162621 XTPBLQQGRSAVCK-DLBZAZTESA-N 339.414 3.914 0 1 EHAF CC(=O)N[C@@H](Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(C)cc1 587206346 LFFZNTJIWOLBPN-INIZCTEOSA-N 327.815 3.945 0 1 EHAF CN(C)CCOc1ccc2nc(-c3ccc4ccccc4c3N)[nH]c2c1 587253999 UQMUQBZQVXGSCT-UHFFFAOYSA-N 346.434 3.906 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nc(C)nc1C)CC2=O 587488249 IHJUORBGZVGTBW-KRWDZBQOSA-N 326.396 3.766 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCN(C)C)N1 587743396 WNAUAROZRTZQSB-ZBEGNZNMSA-N 343.284 3.679 0 1 EHAF COc1ccc(C)cc1C(=O)CCc1nc2c(F)cnc(Cl)c2[nH]1 587787927 SOJCRYQNCYDZBG-UHFFFAOYSA-N 347.777 3.883 0 1 EHAF COC(=O)c1ccc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 587929396 ISBCPHLDDONQKX-JLTOFOAXSA-N 336.391 3.803 0 1 EHAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)OC)nc2[nH]1 587950251 AIFGRAZHMFHNNH-JMSVASOKSA-N 331.416 3.791 0 1 EHAF CC(C)(C)c1ccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc1 653766311 JSDMLJZJEWMEOG-UHFFFAOYSA-N 335.411 3.793 0 1 EHAF CCOC(=O)[C@H](CC)Cc1ccc(C(=O)NCc2ccccc2)cc1 653808368 MILRTCDQWFEEEQ-GOSISDBHSA-N 339.435 3.748 0 1 EHAF Cc1c(F)ccc2c1[C@](CCC(=O)O)(c1cc(F)cc(F)c1)NCC2 962091474 KSYHRANGARXIAB-IBGZPJMESA-N 349.352 3.666 0 1 EHAF Cc1c(F)ccc2c1[C@@](C)(c1c(F)cccc1-n1ccnc1)NCC2 962149574 WZQGIYXAVYCAAK-FQEVSTJZSA-N 339.389 3.868 0 1 EHAF C[C@]1(c2cccc3c2OCO3)c2c(F)cccc2C[C@@H]2CCCN21 963098095 FZTTVLOLYJOXNH-XOBRGWDASA-N 325.383 3.838 0 1 EHAF CC(=O)COc1cccc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)c1 963109878 PZVURWWJUZSXDD-UTKZUKDTSA-N 339.410 3.903 0 1 EHAF Cc1ccc(-c2ccc(N[C@H]3CC[C@H](O)CC3)c(C(N)=O)c2)cc1C 1857634530 KQISRICYNUFAAH-IYARVYRRSA-N 338.451 3.785 0 1 EHAF CCC(=O)O[C@H]([C@H](C)C(C)=O)[C@@H](C)c1ccc(C)cc1C=CCO 2356841877 MIXMRTZVGMGBIC-QEEYODRMSA-N 332.440 3.651 0 1 EHAF COc1ccccc1-c1c[nH]c([C@@H](O)c2ccc(SC)cc2)n1 61905948 HNBNICKXPBWXON-KRWDZBQOSA-N 326.421 3.889 0 3 EHAF Cc1cccc(CNc2cc(-c3ccc(C(=O)N(C)C)cc3)ncn2)c1 4267500 UVBDIGYOWOVIOR-UHFFFAOYSA-N 346.434 3.766 0 1 EHAF COC(=O)c1c(C)cccc1[C@H]1CN=N[C@@]12Cc1ccc(C)cc1C2=O 5539603 PAFFCZGLZIWCIM-UTKZUKDTSA-N 348.402 3.817 0 1 EHAF O=C(NC1CCCCCC1)[C@H]1c2ccccc2C(=O)N2CCCC[C@@H]12 6769446 YVILSBOZZPXKGI-OALUTQOASA-N 340.467 3.618 0 1 EHAF CC(C)(C)C(=O)c1ccc(C2=N[C@@H](Cc3ccccc3)C(=O)O2)cc1 29388785 HPVDJKUUVCZIAX-KRWDZBQOSA-N 335.403 3.830 0 1 EHAF O=C1C[C@H](O)C[C@H](/C=C/c2c(F)cc(F)cc2-c2ccc(F)cc2)O1 29482507 GCAHUKVKFOSJJQ-MUHKLVGJSA-N 348.320 3.851 0 1 EHAF Cc1cc(-c2ocnc2CO)cc(OCc2cccc(Cl)c2)n1 36352022 OQBFYUXXFRZGIT-UHFFFAOYSA-N 330.771 3.770 0 1 EHAF N=C(N)c1ccc2cc(/C=C/c3ccc4c(c3)CCNC4)ccc2c1 42967076 JKIUKSGSVVTXTE-OWOJBTEDSA-N 327.431 3.940 0 1 EHAF COc1ccc([C@@H]2c3ccccc3-c3nc(N)nc(N)c3[C@@H]2C)cc1 45228846 SEINHRLAJDFYDA-BDJLRTHQSA-N 332.407 3.566 0 1 EHAF OCCc1ccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)cc1 63539794 HBTOBTBGMLJADD-UHFFFAOYSA-N 330.391 3.903 0 1 EHAF CCCCc1nc2nc(N3C[C@H](CC)CC[C@@H]3C)ccc2[nH]c1=O 82231360 WGYVMLLGUFVUMP-UONOGXRCSA-N 328.460 3.676 0 1 EHAF Cc1[nH]c2ncn(Nc3ccccc3)c(=N)c2c1Cc1ccccc1 102942064 ZPXCEHBWELQWRF-UHFFFAOYSA-N 329.407 3.618 0 1 EHAF C[C@@H]1C(Cl)(Cl)[C@@]1(C)C(=O)NCCc1csc(Cl)c1 103296442 KMZUSHAASRJDCR-WRWORJQWSA-N 326.676 3.890 0 1 EHAF CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC[C@@](C)(O)/C=C\2OC1=O 166393322 ISOHZXFJJWEPNL-OWIXQCPZSA-N 332.440 3.953 0 1 EHAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(C(C)C)cc1 169313840 KAPVAOFZIVUJFB-NEGFKZESSA-N 325.452 3.849 0 1 EHAF CN1C(=O)[C@@H](c2ccc(C#Cc3ccc(F)cc3)cn2)[C@@H]2CCCC[C@@H]21 204406007 JNBDDIQRBAPNIS-HLAWJBBLSA-N 348.421 3.735 0 1 EHAF Oc1nc2cc3nc([C@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3cc2[nH]1 587151468 HZJBARNEPMKZCP-BDAKNGLRSA-N 326.306 3.694 0 1 EHAF Cc1cnc(Cl)c2[nH]c(CCC(=O)Nc3cccc(F)c3)nc12 587162186 HXETYYXKXBMFGO-UHFFFAOYSA-N 332.766 3.630 0 1 EHAF C[C@]1(c2nc3cnc4ccccc4c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174151 NHDKMXTZXJVVCS-HXUWFJFHSA-N 347.349 3.879 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c(Br)cn1)O2 587371707 MKYMCBJMUYMQQC-HNNXBMFYSA-N 347.212 3.750 0 1 EHAF COc1ccc2c(c1)cc([C@H]1CC(=O)c3cc(C)cc(N)c3O1)n2C 587389325 HEVTWOYRIACBBL-LJQANCHMSA-N 336.391 3.784 0 1 EHAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CC3C[C@H]2CC(O)(C3)C1 587532669 MVJSBXJJVFXUQP-WRGZVOHWSA-N 338.447 3.840 0 1 EHAF CC(C)CCCCCCC(=O)N/C(=C\c1ccc(O)cc1)C(=O)O 653878515 SSNQNYQKPDUFGG-LGMDPLHJSA-N 333.428 3.931 0 1 EHAF CC(C)c1nn(C)c2c1[C@](COCc1ccccc1)(C(C)C)NCC2 962913262 BZQNCIYLNVEPKP-NRFANRHFSA-N 341.499 3.757 0 1 EHAF COc1cc([C@H]2NCCc3nc4ccccn4c32)ccc1C(F)F 962982535 ITGIWPMCZQMEJH-MRXNPFEDSA-N 329.350 3.516 0 1 EHAF C[C@]1(COc2cccc(C=O)c2)c2c(F)cccc2C[C@H]2CCCN21 963095008 BXPHABVHEZKAPN-UTKZUKDTSA-N 339.410 3.953 0 1 EHAF Cc1nc2cccc(-c3cc4c(O)nncc4[nH]3)c2nc1NC(C)(C)C 1772578851 VKGQNHBAFASGIN-UHFFFAOYSA-N 348.410 3.793 0 1 EHAF CC1(C)C=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2C1=O 15979 HJQLTGZFCVLTCS-UHFFFAOYSA-N 333.309 3.979 0 1 EHAF Oc1cc(Br)cc2c1[nH]c1c(C3=NCCC3)nccc12 15209748 APMWMIZJPYJHCI-UHFFFAOYSA-N 330.185 3.767 0 1 EHAF biogenic CN1C[C@@H](c2cccc(OCc3nc4ccccc4s3)c2)OC1=O 26178905 AZYTXHWPFPOTKL-HNNXBMFYSA-N 340.404 3.998 0 1 EHAF CC1(C)CCOc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21 26277674 MZSWRYNZJQZACM-UHFFFAOYSA-N 325.364 3.697 0 1 EHAF Nc1cccc(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 27631298 RPESUAWYAQFNSQ-UHFFFAOYSA-N 349.400 3.652 0 1 EHAF Cc1ccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cc1 28383171 YWQAVBIVXGNXCA-UHFFFAOYSA-N 331.354 3.839 0 1 EHAF Cc1ccccc1S(=O)(=O)Oc1cccc(C2CCNCC2)c1C 40423604 TUMRFRSQWQHLAR-UHFFFAOYSA-N 345.464 3.538 0 1 EHAF CN(C)CCOc1ccc(Nc2nc(-c3ccncc3)cs2)cc1 45253279 YQEQRNZMAYACOT-UHFFFAOYSA-N 340.452 3.889 0 1 EHAF COc1ccccc1/C(=C\c1coc2nc(N)nc(N)c12)CC(C)C 45348774 GSEWOBPWXZKJLQ-XFXZXTDPSA-N 338.411 3.983 0 1 EHAF O=C1O[C@@H](COc2ccccc2)C=C1c1ccc(Br)cc1 45366706 GSXJOZFWPHEFML-OAHLLOKOSA-N 345.192 3.837 0 1 EHAF CC(C)C[C@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc21 58583260 MQBQMYOSDZAGET-CYBMUJFWSA-N 336.867 3.774 0 1 EHAF C[C@H](C1=C(CCN(C)CCF)Cc2ccccc21)c1cnccn1 66079129 HJNGVQMITVXZEN-HNNXBMFYSA-N 325.431 3.881 0 1 EHAF COc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1 95563472 SECBCZUIMWWSPE-UHFFFAOYSA-N 334.872 3.909 0 1 EHAF Nc1ccc(-c2cn(C[C@@H](O)c3ccc(Cl)cc3Cl)nn2)cc1 95573124 GNRBQANLTMYMES-MRXNPFEDSA-N 349.221 3.568 0 1 EHAF CC1=N[C@](c2ccccc2)(c2cccc(-c3cccnc3)c2)N=C1N 95575069 TVFLMALGICYVSV-NRFANRHFSA-N 326.403 3.781 0 1 EHAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(SC)cc1 103539278 XKVMIWDNMMADRN-JNINTMOKSA-N 330.413 3.502 0 1 EHAF CC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 113952123 MQGVZJSGJLQEPM-UHFFFAOYSA-N 329.271 3.730 0 1 EHAF c1ccc(Nc2ccc(Oc3nccnc3[C@H]3CCOC3)cc2)nc1 148107759 MIZWBKPBMVJMHT-AWEZNQCLSA-N 334.379 3.911 0 1 EHAF CN(C)c1cccc(-n2c(N)nc3ccc(Nc4ccncc4)cc32)c1 169328349 ZTASZAMJFPYQPN-UHFFFAOYSA-N 344.422 3.812 0 1 EHAF CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H]2OC(=O)CCC/C=C/C[C@@H]21 169363457 LJEHYEYWZYPKKY-BRNHSORCSA-N 334.456 3.731 0 1 EHAF C[C@@H]1[C@H]2[C@]3(C)CCC[C@@](C)(C(=O)O)[C@H]3C[C@@H](O)[C@@]23C[C@H]2[C@@H]1[C@@]2(C)C3 238765127 ZPXRZTKOBBFDAC-DTRDSUBRSA-N 332.484 3.947 0 1 EHAF O=c1[nH]c2ccc(-c3csc(-c4ccc(F)c(O)c4)n3)cc2o1 299824178 GFFXFYSSYVFRAP-UHFFFAOYSA-N 328.324 3.756 0 1 EHAF CC(C)COc1cc2nc([C@H]3CCOC3)[nH]c2cc1Br 586911726 MAGKUEOEAAWCPN-JTQLQIEISA-N 339.233 3.864 0 1 EHAF CC1(C)Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC1=O 586991099 IDYBTMISSBUWIM-UHFFFAOYSA-N 343.382 3.846 0 1 EHAF Fc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1F 587084642 GAUMHFZTGPXKBZ-UHFFFAOYSA-N 349.772 3.669 0 1 EHAF Clc1cccc(C2(c3nc4cc(Br)ncc4[nH]3)CC2)n1 587084731 RZXKJEONWSPHPQ-UHFFFAOYSA-N 349.619 3.849 0 1 EHAF C[C@H](Oc1ccc(F)cc1)c1nc2ccnc(Br)c2[nH]1 587168821 NPFALVXMVFZXHM-QMMMGPOBSA-N 336.164 4.000 0 1 EHAF COc1c(F)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587383114 XSFBBAJIBUMFBL-GOSISDBHSA-N 333.334 3.745 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ncc(C)s1)O2 587411299 CROVVCNTCNYXKQ-MRXNPFEDSA-N 339.420 3.839 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(C)o1)[C@@H](C2)C3=O 587411496 CQOHCSYEVYCLSR-QFYYESIMSA-N 349.180 3.848 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(Cl)c1OC)[C@@H](C2)C3=O 587421530 MZAXHRARHRCUPX-SJCJKPOMSA-N 330.767 3.846 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccnc(C(F)(F)F)c1)[C@@H](C2)C3=O 587423876 VXHOPKHRQMJEBA-YVEFUNNKSA-N 349.308 3.772 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(OCC4CC4)c1)[C@@H](C2)C3=O 587443282 NKPYATOPGRMQMY-LAUBAEHRSA-N 336.387 3.973 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](COc1ccccc1F)CC2=O 587465176 ATWJJLHZLULBLV-GFCCVEGCSA-N 330.355 3.897 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1C(C)C)CC2=O 587474753 HQBJNQXQTMZLNU-QGZVFWFLSA-N 328.412 3.908 0 1 EHAF C/C=C\CC[C@@]1(CC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 587477069 DTIQTEIDCOMIPJ-MNBNYPOFSA-N 346.423 3.968 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1[C@@H](C)OCC)CC2=O 587479917 VIBWZCACPXJAHI-XIKOKIGWSA-N 344.411 3.803 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)[C@H](C)C1)CC2=O 587488568 KYRGGVDNZJONDB-CLUVUEOHSA-N 332.396 3.570 0 1 EHAF Cc1[nH]nc2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 587525465 NJPUBVNBRUOLEC-SFHVURJKSA-N 333.391 3.852 0 1 EHAF COc1cc(C)ccc1OCc1nc2c(Br)ccnc2[nH]1 587564246 PGWWUMOSKQTTBM-UHFFFAOYSA-N 348.200 3.616 0 1 EHAF Cc1ccc(F)c(NC(=S)n2ncc3ccc(Cl)cc3c2=O)c1 587651378 IGCAYQVJAHLXGO-UHFFFAOYSA-N 347.802 3.743 0 1 EHAF CO[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587812444 QUXYGDPWENEEMF-AMKSKSKJSA-N 342.252 3.907 0 1 EHAF Cc1cc2c(cc1F)[C@@](C)(c1ccc3c(c1)C(C)(C)C(=O)N3)NCC2 962376499 PPMBLNIDFMJRTA-OAQYLSRUSA-N 338.426 3.773 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc3c(c2)c(C)nn3C)N1 962949402 FMEUEUOZLNBXSV-IFXJQAMLSA-N 345.450 3.772 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)C(C)(C)Br 963642521 YRFOJSDFNAGYTL-QLJPJBMISA-N 342.277 3.627 0 1 EHAF O=Cc1ccc2cccc(C(=O)Nc3ccc(C(F)(F)F)cn3)c2n1 1857767955 RJUAKORAVOTBIE-UHFFFAOYSA-N 345.280 3.713 0 1 EHAF C[C@@H](O)c1onc(-c2cccs2)c1C(=O)N[C@H](C)c1ccccc1 2356377582 FMEGJPVMCIZZKB-VXGBXAGGSA-N 342.420 3.947 0 1 EHAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@](C)(O)[C@]12C 2356567002 CPGDJQWAOHOBFE-XVVDYKMHSA-N 346.423 3.892 0 1 EHAF Cc1oc2cc(O)cc(C)c2c(=O)c1-c1cnn(-c2ccccc2)c1 4339487 XKMLBTUHJWBHIF-UHFFFAOYSA-N 332.359 3.968 0 3 EHAF CCSc1nnc2nc3c(c(O)n12)[C@@](C)(CC)Cc1ccccc1-3 1250343 BMOYZASVYHTOOS-SFHVURJKSA-N 340.452 3.833 0 1 EHAF O=C(NCc1cccs1)c1ccc(C[S@](=O)c2ccccc2)o1 2499508 GINCOFHRDZDATM-HSZRJFAPSA-N 345.445 3.579 0 1 EHAF COc1ccc(CCNc2nc(-c3ccccc3F)no2)cc1OC 21629920 QQALAWFCMLVABZ-UHFFFAOYSA-N 343.358 3.548 0 1 EHAF Clc1ccc([C@@H]([C@@H]2Cc3ccccc3O2)n2cnnn2)c(Cl)c1 26175614 FSWJQLLWPOKRJJ-HOTGVXAUSA-N 347.205 3.573 0 1 EHAF C[C@@]1([C@H]2CO2)C[C@@H]2CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@]23O[C@H]3C1 27645608 BAVAPCQGJJCZCO-DTMCMCHMSA-N 334.456 3.630 0 1 EHAF Cc1cccc(N2CCN(CCCSc3ccc(N)cc3)CC2)c1 28886889 IDURFCCRNUQSDL-UHFFFAOYSA-N 341.524 3.882 0 1 EHAF COc1ccccc1CN1Cc2cc(OC(F)(F)F)ccc2C1=N 28948615 JWWCPLDJCABVCP-UHFFFAOYSA-N 336.313 3.935 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccn3C)cc2)C[C@@H]2CC[C@H]1O2 35875895 YOFKXSATJFBEHG-ISARSNTHSA-N 325.408 3.516 0 1 EHAF OCCc1ccc(Nc2ncc(Cc3c(F)cccc3F)o2)cc1 49110702 DYCNKMUILFIWRM-UHFFFAOYSA-N 330.334 3.822 0 1 EHAF COCCCc1ccc(C[C@@H]2C=C(C)[C@@H](O)C[C@@H]2C(C)(C)O)cc1 85510786 SZUDDSYQSZTMMJ-UFYCRDLUSA-N 332.484 3.522 0 1 EHAF biogenic,in-vitro OCC/N=c1\nc(-c2cccc3ccccc23)n(-c2ccccc2)s1 101506375 KXHKLFUNZYSUCT-QZQOTICOSA-N 347.443 3.647 0 1 EHAF Cc1ccc(-c2nc3ccc(C4=NNC(=O)[C@H]5C[C@H]45)cc3o2)cc1C 139329456 CCYBZCDHHMUDBE-GJZGRUSLSA-N 331.375 3.582 0 1 EHAF CCN(CC)C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144695840 COKKTESLQZWOJZ-GOSISDBHSA-N 349.352 3.947 0 1 EHAF O=C(Nc1ccccc1F)c1cn2cc(-c3ccccn3)ccc2n1 147172884 FNUKIUCJKDUDAA-UHFFFAOYSA-N 332.338 3.788 0 1 EHAF Cc1ccccc1/C=C1\CNC[C@H]2C1=NC(=O)N[C@H]2c1ccccc1C 169730026 YKPZXTZEYIUSDB-XPNIGKPZSA-N 345.446 3.812 0 1 EHAF CN1C(=O)[C@H](c2ccc(C#Cc3cccc(F)c3)cn2)CCC1(C)C 204405812 RZADELXKYYDCDV-SFHVURJKSA-N 336.410 3.735 0 1 EHAF COc1cc([C@H]2Oc3cccc(OC)c3O[C@@H]2C)cc(OC)c1OC 205773444 SBCVWHZLXKVPSO-DIFFPNOSSA-N 346.379 3.622 0 1 EHAF O=C1c2cc(Cl)ccc2O[C@H]2c3[nH]c4ccc(O)cc4c3CCN12 220263641 FQALEHDYQBLDSM-SFHVURJKSA-N 340.766 3.616 0 1 EHAF Cc1cc(=O)c2c(O)c3c(c(/C=C\C(C)(C)O)c2o1)OC(C)(C)C=C3 238762374 MEDZOWDIKBGDII-VURMDHGXSA-N 342.391 3.775 0 1 EHAF CC(C)=CC(=O)O[C@H]1Oc2cc3oc(=O)ccc3cc2CC1(C)C 238765108 JXZWWIMXTVJNSF-GOSISDBHSA-N 328.364 3.590 0 1 EHAF c1ccc2c(c1)CN(CCCN1CCc3c([nH]c4ccccc34)C1)C2 299821603 LALXXHGAQDGIOH-UHFFFAOYSA-N 331.463 3.932 0 1 EHAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@]3(C)CC)[nH]c2c1 586889438 LKBBSMYMRZYFJU-DYVFJYSZSA-N 335.473 3.545 0 1 EHAF COC(=O)c1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2n1 586971460 SFODQHDQYLTCAE-UHFFFAOYSA-N 341.436 3.529 0 1 EHAF Cc1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1C 586979138 QWESCLDWTNZPEF-UHFFFAOYSA-N 333.233 3.804 0 1 EHAF COC(=O)c1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cn1 587023419 KPOAXVMPGPCYKW-UHFFFAOYSA-N 342.405 3.597 0 1 EHAF Clc1ccc(C2=C[C@@H](c3nc4cncc(Cl)c4[nH]3)ON2)cc1 587075094 CHHZFABQYAOZGL-ZDUSSCGKSA-N 333.178 3.882 0 1 EHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)cnc2[nH]1 587080689 SLLZXMCCDJXKPS-GFCCVEGCSA-N 346.221 3.989 0 1 EHAF Fc1c(Br)cc2nc(COC(F)(F)F)[nH]c2c1F 587125657 SJXDOCGRJVUVCP-UHFFFAOYSA-N 331.038 3.640 0 1 EHAF CCOc1cc(/C=C/c2nc3c(N)ccnc3[nH]2)ccc1OC(F)F 587130879 QFDWZSTXGOVJGM-GQCTYLIASA-N 346.337 3.711 0 1 EHAF Fc1cncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587176781 GEGWPGQCWMFPLK-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF CCc1cc(OC)c(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587399921 NLOXIENPMGXEQA-MRXNPFEDSA-N 327.380 3.560 0 1 EHAF COc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587399947 NXSPFLKPPVTCNV-MRXNPFEDSA-N 327.380 3.609 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(CN(C)C)cs1)O2 587412133 XLIMAEFFCQHOIF-GOSISDBHSA-N 330.453 3.581 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cn(C)c(-c4ccccc4)n1)[C@@H](C2)C3=O 587430965 LHDHNKDAFCZJNI-YWZLYKJASA-N 346.386 3.584 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)c(O)c1)CC2=O 587472714 LHWUFBJUSTYRLD-IBGZPJMESA-N 327.380 3.513 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](CC)CCC(=O)OC)CC2=O 587476441 COVMHOXLKXRVNC-YVEFUNNKSA-N 334.412 3.658 0 1 EHAF COCCc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535980 QQDSFKMJQZPNRF-INIZCTEOSA-N 343.448 3.917 0 1 EHAF O=C(c1ccc(F)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651181 FFXLYEJVSUORKY-UHFFFAOYSA-N 337.137 3.531 0 1 EHAF COc1ccc2c(c1)[C@H](c1cc(-c3cccnc3)[nH]n1)N(C(C)C)CC2 962091432 NRJFMWACVRIHTR-OAQYLSRUSA-N 348.450 3.836 0 1 EHAF CC[C@]1(Cc2ccc(C)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962907130 ZWKKKYXCTVSYLJ-FXAWDEMLSA-N 327.399 3.581 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(C[C@H](O)c2ccccn2)N1 962958207 PDJJNJDAWNAKOP-XWRIVVANSA-N 335.451 3.826 0 1 EHAF Cc1ccnc2c1CCN[C@]2(c1ccc(CN2CCC2)cc1)C1CCC1 963066383 HFNXEKQXGMHELB-QHCPKHFHSA-N 347.506 3.785 0 1 EHAF c1ccc(CN2CCN(C[C@H]3CSC4(CCCCC4)O3)CC2)cc1 1911572511 ZBAJQMFEBGHQTH-IBGZPJMESA-N 346.540 3.597 0 1 EHAF O=C(O)c1ccccc1-c1cc2cc(Br)ccc2oc1=O 6222505 MKERZCJQVNXSBY-UHFFFAOYSA-N 345.148 3.921 0 1 EHAF Cc1cc(C)c(NC(=O)c2cnc(NC(=O)C3CC3)s2)c(C)c1 13587442 OTRYTNJSIZLUNP-UHFFFAOYSA-N 329.425 3.669 0 1 EHAF CC1(C)C[C@@H](c2nc3c(cnn3Cc3cccc(F)c3)[nH]2)CCO1 19147222 WLLMWXXBYXSBOR-ZDUSSCGKSA-N 328.391 3.619 0 1 EHAF Nc1ccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]c2c1 35259673 MRAMBSFOGBOXAH-UHFFFAOYSA-N 333.435 3.845 0 1 EHAF CCCN[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O 40972386 NADQPZBKMAGHCO-YTCCEPPISA-N 349.559 3.729 0 1 EHAF CN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 45257824 CGKZDZJJVQNPHJ-UONOGXRCSA-N 343.254 3.827 0 1 EHAF Cc1cc(C)cc(Oc2ccc(C[C@H]3SC(=O)NC3=O)cc2)c1 45338755 DSECPCWCNQBQNK-MRXNPFEDSA-N 327.405 3.990 0 1 EHAF CC(=O)N1CCN(c2ccc(Oc3ccc(Cl)cc3O)cc2)CC1 95604174 YXCULPUNVLAFLE-UHFFFAOYSA-N 346.814 3.506 0 1 EHAF Cc1ccnc(NCc2ccc(C(=O)Nc3nc(C)cs3)o2)c1 95755556 XQNNUDDWUHMDDC-UHFFFAOYSA-N 328.397 3.612 0 1 EHAF O=C(Nc1ccccc1F)c1cnn2c1NC(=C1CC1)C=C2C(F)F 102855924 IOKDCCFJHGEPMK-UHFFFAOYSA-N 346.312 3.854 0 1 EHAF C[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)C1CC1 167049724 MRYDTQUDPVSOIG-CQSZACIVSA-N 349.434 3.763 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1C/C(C)=C/CC[C@]2(C)O[C@@H]2[C@H](O)[C@@H]1C(C)C 238734310 ULRHOYLBAZFSHH-BYUXLVIUSA-N 336.472 3.785 0 1 EHAF CN(C)Cc1ccc(-c2cc3c(Nc4ccncc4)ncnn3c2)cc1 299834740 VHTCWQLSSKWBRF-UHFFFAOYSA-N 344.422 3.597 0 1 EHAF COc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Cl 587119500 YIDYRFXFRVCPRF-UHFFFAOYSA-N 344.724 3.683 0 1 EHAF Cc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587147601 AEBMCKJUDIXIGF-ZDUSSCGKSA-N 341.361 3.666 0 1 EHAF Cc1ccnc2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c12 587149015 LNZUBBWMNKXBDB-UHFFFAOYSA-N 325.322 3.612 0 1 EHAF CC[C@]1(c2cc(F)c(O)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587381805 LLEUBIOZXAKWAP-GOSISDBHSA-N 333.334 3.832 0 1 EHAF COC(=O)[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525475 PCUDNPXRFHHHBR-OXQOHEQNSA-N 328.408 3.633 0 1 EHAF O=Cc1ccc(OCCc2nc3ccc(Br)cc3[nH]2)cc1 587566429 MJMFWQKTYISDPQ-UHFFFAOYSA-N 345.196 3.759 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1F 587566893 BBSQSZHOULDDFN-CRAIPNDOSA-N 337.306 3.629 0 1 EHAF Cc1[nH]c2cc(F)ccc2c1[C@@H]1COCCN1C(=O)OC(C)(C)C 587636924 PVHLDBBJPULZRI-HNNXBMFYSA-N 334.391 3.924 0 1 EHAF Cc1cncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587775814 UGZGTPRSPCMAIF-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(C)(C)C 587867676 MEYBOLSARCDBNL-UHFFFAOYSA-N 327.306 3.659 0 1 EHAF COc1ccc2c(c1)CCC=C2Cc1nc2cnc(Cl)[nH]c-2n1 587934723 NJGTYZJPRHOVCQ-UHFFFAOYSA-N 326.787 3.539 0 1 EHAF CO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1c(OC)ccc2ccccc12 617965016 ZOSUPBQGLZYKNH-WUVIJCSQSA-N 342.420 3.655 0 1 EHAF COc1cccc(-c2cc(C[C@H](N)C(=O)O)cc(Cl)c2Cl)c1 653687082 LMFIILLOHZCYDW-AWEZNQCLSA-N 340.206 3.623 0 1 EHAF C[C@H](NC(=O)N1C(=O)C[C@H]1Sc1ccc(F)cc1)c1ccccc1 1857570982 NSIPFBFYAKEYEQ-YVEFUNNKSA-N 344.411 3.947 0 1 EHAF c1cncc(Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1 1857574017 MAIVGUWTIMGDRI-UHFFFAOYSA-N 339.402 3.878 0 1 EHAF CCCNC(=S)N1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1 13471857 DDRQYFIWVCPQSJ-UHFFFAOYSA-N 330.501 3.644 0 3 EHAF O=C(O)c1ccc(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 13679785 FKMULXSKUTZDBD-UHFFFAOYSA-N 345.354 3.868 0 1 EHAF in-vivo FC(F)(F)c1cccc(C[C@H](c2ccccc2)N2CCNCC2)c1 36093329 PGYQPHBCJVVZFQ-GOSISDBHSA-N 334.385 3.894 0 1 EHAF CC(=N)NC[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21 38248609 PXCOASFULUFKCU-INIZCTEOSA-N 342.464 3.526 0 1 EHAF COc1ccc(C2=[N+]([O-])c3ccccc3N3CC(C)(C)CN=C23)cc1 40379303 LCHRODBQAVMDSH-UHFFFAOYSA-N 335.407 3.585 0 1 EHAF Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C=O)s2)n1 49033407 MEKILIMCRCJNKV-UHFFFAOYSA-N 335.392 3.717 0 1 EHAF COCc1c(Cl)c(C)nc2oc(C(=O)c3ccc(F)cc3)c(N)c12 71294924 ADEWMBXHOGJXEG-UHFFFAOYSA-N 348.761 3.888 0 1 EHAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCC3)nnc2c1 84730758 QMQGZXVMSWKCSP-UHFFFAOYSA-N 346.434 3.864 0 1 EHAF Cc1ccc(C(=O)Nc2nc(Cl)c3cn(C(C)C)nc3n2)cc1 103263534 GYLQECNSLIJWMA-UHFFFAOYSA-N 329.791 3.621 0 1 EHAF CCCN(C)C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144795442 QBOMGRUAEGQAOP-SFHVURJKSA-N 349.352 3.947 0 1 EHAF CCc1nn(Cc2c(C)cccc2Cl)c2cc(C(=O)O)cnc12 205654355 MMEADCLKMLJOJT-UHFFFAOYSA-N 329.787 3.702 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@@H]([C@@]32C)[C@@]1(C)CC[C@@H]1COC(=O)C1 238734227 DUNXJKRKMIDKNP-ONGDCLNNSA-N 332.440 3.644 0 1 EHAF C[C@@H]1CN(c2ccccn2)CCN1C(=O)[C@H]1CC[C@H](C(C)(C)C)CC1 261137344 MJQFAEORXWJPGL-KZNAEPCWSA-N 343.515 3.971 0 1 EHAF COc1cc(CC[C@@H](O)CCCCc2ccc(O)cc2)ccc1O 299835743 LKLDBJQOHQJFEV-KRWDZBQOSA-N 330.424 3.813 0 1 EHAF O=C1O/C(=C\c2nc3c(Cl)c(Cl)cnc3[nH]2)c2ccccc21 586905792 CFVZRZNVCHWOCQ-YHYXMXQVSA-N 332.146 3.933 0 1 EHAF O=C1c2ccoc2CC[C@H]1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 586906287 ATNVEZQOOXIIBC-ZETCQYMHSA-N 336.178 3.846 0 1 EHAF Cc1ccnc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 587116194 SGKJNVVTNDOBLA-UHFFFAOYSA-N 329.285 3.895 0 1 EHAF C/C(=C\N(C)C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587744203 ZGSQGYDWEBFZMO-MZOZHOLYSA-N 327.241 3.629 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccn1 587866132 UQXZOYZVYASLCB-UHFFFAOYSA-N 334.301 3.747 0 1 EHAF COc1ccc(C[C@@H](C)c2nc3ccc(C(=O)O)cc3[nH]2)cc1OC 587925246 DFHQFVMVGJLXBV-LLVKDONJSA-N 340.379 3.625 0 1 EHAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587928747 BYPZYUCNNLRWPO-VFNWGFHPSA-N 349.434 3.719 0 1 EHAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 587963228 LVFJRRAGFBVBBX-JGVFFNPUSA-N 325.181 3.622 0 1 EHAF COCn1ncc(C)c1[C@H]1NCCc2cccc(-c3ccccc3)c21 962668670 NVJVRSIHUHQTJR-FQEVSTJZSA-N 333.435 3.698 0 1 EHAF C[C@@H](Oc1cc(-c2cn[nH]c2)cnc1N)c1cc(F)ccc1Cl 1857599552 VPUZUVOAKUROBZ-SECBINFHSA-N 332.766 3.986 0 1 EHAF Cc1cccc2c1CN(CC[C@H]1CC[C@H](NC(=O)N(C)C)CC1)CC2 1857618436 DYVHHOWPDWNESM-UAPYVXQJSA-N 343.515 3.573 0 1 EHAF Cc1noc(C)c1-c1cc(O)cc([C@H](O)c2ccc(Cl)cn2)c1 1857637959 HDZUDLHMKDHTLY-KRWDZBQOSA-N 330.771 3.794 0 1 EHAF O=C(COc1cccc2ccccc12)Nc1ccc2c(c1)COC2=O 1857646718 ABPUZKGUAHUGMU-UHFFFAOYSA-N 333.343 3.528 0 1 EHAF COc1cc2ncnc(NNc3ccc(F)c(Cl)c3)c2cc1OC 3815342 DRGJAJGWXGZEPT-UHFFFAOYSA-N 348.765 3.879 0 1 EHAF CC1(C)C=Cc2c(ccc3c2O[C@H](O)[C@H]2c4ccc(O)cc4O[C@H]32)O1 13431322 YTPKRSILLIAZAA-UHOSZYNNSA-N 338.359 3.505 0 1 EHAF biogenic O=C1C[C@H](c2ccccc2)OC(=O)[C@H]1SCCc1ccccc1 13766460 ZZBSGAGBPNDTCX-MSOLQXFVSA-N 326.417 3.588 0 1 EHAF CN1CC[C@@H]2[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)CCC[C@H]2C1 26189509 QEHYKCMIGAKKMG-XEZPLFJOSA-N 341.282 3.844 0 1 EHAF O=C(N[C@@H]1CCCC[C@H]1N1CCCCC1)c1ccc2ncsc2c1 84728766 VKCLDSUKOZJQFC-NVXWUHKLSA-N 343.496 3.823 0 1 EHAF C[C@H](Nc1c(Nc2ccc3[nH]ccc3c2)c(=O)c1=O)C1CCCCC1 101895317 WNXALKVTILRYSN-LBPRGKRZSA-N 337.423 3.888 0 1 EHAF CSc1nc2n(n1)[C@H](c1ccccc1F)C1=C(O)CCCC1=N2 103894504 JLUFEQXDDNOZMJ-CQSZACIVSA-N 330.388 3.811 0 1 EHAF CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cccc(Cl)c1 104116245 GOFIMIRHIPLODF-SXWSKBOKSA-N 347.806 3.608 0 1 EHAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cccs1 116232086 LBVJIOYUNKVJGB-UHFFFAOYSA-N 327.409 3.901 0 1 EHAF C[C@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)[C@H]2Cc3ccccc3[C@@H]12 117628008 BRUKCJCBSLIOTE-QTJFZDIUSA-N 331.419 3.753 0 1 EHAF C#Cc1ccc(C(=O)Nc2ccc(CC[C@H]3CCCCN3)cc2)cc1 117719392 DUGDGYJYGAREFI-HXUWFJFHSA-N 332.447 3.995 0 1 EHAF COc1cc(F)c(F)cc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12 226060199 DDRNCIVXTOPZHT-LLVKDONJSA-N 343.377 3.984 0 1 EHAF CCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21 299831991 JNRWWIZRCYYVFH-UHFFFAOYSA-N 341.455 3.505 0 1 EHAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)C2 586884883 JRZMKUMJYZVPHO-AVGNSLFASA-N 336.370 3.527 0 1 EHAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)ncc3[nH]2)cc1 586891775 VOCXFTKYXDKPFE-MEBBXXQBSA-N 346.228 3.866 0 1 EHAF Cc1oc2c(c1-c1nc3cc4c(cc3[nH]1)NC(=O)CC4)C(=O)CCC2 586903792 NLVGDMOMZYSKIT-UHFFFAOYSA-N 335.363 3.535 0 1 EHAF COc1cc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2cc1Cl 586905956 GXMNWICIXONXAY-RIYZIHGNSA-N 326.739 3.893 0 1 EHAF COc1cncc2nc(COc3ccc(Br)cc3C)[nH]c12 586980990 IKEGUIQOEOZRIH-UHFFFAOYSA-N 348.200 3.616 0 1 EHAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(=O)OC)cc3[nH]2)s1 587014535 MYKSMJGYLUHGEP-JTQLQIEISA-N 345.424 3.879 0 1 EHAF CCS(=O)(=O)c1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1 587037021 QKNONPITKXUNFE-UHFFFAOYSA-N 332.450 3.574 0 1 EHAF COc1c(F)ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1N 587133276 NPNVOWVAYXIVQL-UHFFFAOYSA-N 329.228 3.516 0 1 EHAF CC[C@@H](Oc1ccccc1F)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587155023 IJUCXBRGKCLQPN-CQSZACIVSA-N 326.331 3.814 0 1 EHAF COCCCOc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401302 VUGUWFNPTPXXPI-IBGZPJMESA-N 341.407 3.699 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(C)n1-c1cccnc1)[C@@H](C2)C3=O 587432851 ZIVFZEHESCSAAO-HRAATJIYSA-N 346.386 3.678 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(Cc1c[nH]c4ccccc14)[C@@H](C2)C3=O 587439816 XBQREUQEJQUTOS-KKSFZXQISA-N 333.387 3.925 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1sc(=N)[nH]c1Cl)CC2=O 587493891 ILXAGZJYTGABKJ-NSHDSACASA-N 338.816 3.574 0 1 EHAF CC(C)CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587558591 AVMIFJZCDXEZEN-UHFFFAOYSA-N 325.368 3.528 0 1 EHAF Cc1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587589532 XSWARFNQHCBJIS-DNVCBOLYSA-N 337.331 3.700 0 1 EHAF C[C@@H](O)CCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608352 LFCXEMCWEGDWKP-QBIMZIAESA-N 342.391 3.664 0 1 EHAF Cc1cccc(C)c1NC(=S)n1ncc2ccc(Cl)cc2c1=O 587654994 RGGJSWUMBNFAPY-UHFFFAOYSA-N 343.839 3.912 0 1 EHAF Cc1cnccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587773129 IEGKDVPVXQUAJR-MGPLVRAMSA-N 335.220 3.915 0 1 EHAF Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587774090 LGVZLTRLZBGGLQ-MLXNANBUSA-N 339.208 3.817 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC(C)(C)C2)N1 587835997 YISCWNGDUMQCKJ-HWPZZCPQSA-N 342.252 3.907 0 1 EHAF CC(C)(C)c1ocnc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875079 MVINRCDXYYNDQG-UHFFFAOYSA-N 327.315 3.769 0 1 EHAF CCN(CC)c1ccnc(-n2nc3cc2Oc2ccc(F)cc2-3)n1 587875491 PETCNMQKEITTFB-UHFFFAOYSA-N 325.347 3.420 0 1 EHAF COC(=O)/C=C1\CC[C@H]2[C@@H](CC(=O)[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@H]1C 1857601097 NOICBCNPPPYHDW-SHFURZDLSA-N 348.483 3.524 0 1 EHAF Cc1ccc(OCCCOc2ccc3c(c2)OC[C@@H]3CC(=O)O)cc1 1857766429 CJWRPDJMIDWKPY-HNNXBMFYSA-N 342.391 3.794 0 1 EHAF COCc1ccccc1CCN1CCCC[C@H]1[C@@H](O)c1ccccc1 2356364023 OQGFTWNDUDCPTQ-VXKWHMMOSA-N 339.479 3.964 0 1 EHAF C[C@H](CCO)CC[C@@]1(C)[C@@H]2CCC=C(C(=O)O)[C@]2(CO)CC[C@H]1C 2356646762 OJYNMAREYBQEPO-WLWDNUHBSA-N 338.488 3.621 0 1 EHAF COCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 2482136 AZYQJDAQAPDALH-UHFFFAOYSA-N 346.770 3.631 0 1 EHAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N1CCOCC1 4215555 NOUGPRYMEUDNNN-OALUTQOASA-N 344.455 3.559 0 1 EHAF Nc1cc2c3c(c1)Oc1cc(N)cc4c1C3c1c(cc(N)cc1O4)O2 5582236 LUOIXKQZXPGMRR-UHFFFAOYSA-N 331.331 3.931 0 1 EHAF O=[S@](Cc1ccccn1)c1nc2ccccc2nc1-c1ccccc1 5593693 GZHHJTLCHPDKSZ-VWLOTQADSA-N 345.427 4.000 0 1 EHAF Cc1ccc2nncc(N3CCN(c4cccc(Cl)c4)CC3)c2c1 6738769 KUMQPJKDGRTLQO-UHFFFAOYSA-N 338.842 3.918 0 1 EHAF O=C(Cc1ccccn1)Nc1cc(Cl)cc2c1[nH]c1cnccc12 13535887 KNFPDDQBEKGJKM-UHFFFAOYSA-N 336.782 3.946 0 1 EHAF c1cncc(Cn2[nH]cc3nc(-c4c[nH]nc4C4CCCCC4)nc2-3)c1 20996580 IBNDFSWSTBNPGR-UHFFFAOYSA-N 347.426 3.592 0 1 EHAF CN1CCC=C(c2nsnc2OCCCCc2ccccc2)C1 26731620 YFVWMZPXLOIKJK-UHFFFAOYSA-N 329.469 3.659 0 1 EHAF CNC1=Nc2ncccc2C(c2ccccc2)=N[C@@H]1c1cccs1 35876043 KRBWMMUQSSQAQM-QGZVFWFLSA-N 332.432 3.985 0 1 EHAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccccc3C)C[C@H]1C=N2 38792823 JLVNYCGAPBREIW-HNNXBMFYSA-N 348.402 3.984 0 1 EHAF CNc1nccc(-c2ccc(C(=O)Nc3ccc(F)cc3)s2)n1 40567354 SLGMKFVHOSMRMA-UHFFFAOYSA-N 328.372 3.638 0 1 EHAF COC[C@H](O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 40952699 PMKHJBQHKKMPMQ-KRWDZBQOSA-N 344.798 3.753 0 1 EHAF c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1 49033975 XCBVVBMORUYAJM-UHFFFAOYSA-N 332.407 3.724 0 1 EHAF CCS(=O)(=O)c1ccc2c(c1)nc(C1CCCC1)n2CC1CC1 72110210 ZMHPOHOIPMQHEN-UHFFFAOYSA-N 332.469 3.898 0 1 EHAF CCCCOC(=O)c1ccc(NC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 101265012 UITXTNXEIFGSBI-UNEWFSDZSA-N 330.428 3.954 0 1 EHAF CN(C)c1ccc(-c2cc(=O)c3cc(OCC[18F])ccc3o2)cc1 101680519 FHJZBBBRXRDKLA-LRFGSCOBSA-N 326.358 3.874 0 1 EHAF Cc1ccc(C)c(N(C)C(=O)COc2onc(C(F)(F)F)c2C)c1 103199901 CSKMEIMTHDQBAY-UHFFFAOYSA-N 342.317 3.660 0 1 EHAF CC[C@]1(O)C[C@@](C)(C(=O)N[C@H](C)c2ccc(Br)cc2)C1 103204498 ZACJZNFOGXCIGL-LYRGGWFBSA-N 340.261 3.568 0 1 EHAF CC(C)(SCc1nc2cc(F)cc(Br)c2[nH]1)C(=O)O 586958472 DMMYXWWRHXHLHE-UHFFFAOYSA-N 347.209 3.561 0 1 EHAF COC(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2n1 587034290 RQHMOLPLXFLBBH-VIFPVBQESA-N 327.409 3.598 0 1 EHAF COC(=O)c1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2cn1 587096419 AUDKHNXZPJWHMC-VIFPVBQESA-N 349.312 3.915 0 1 EHAF Cc1noc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 587105759 HPUWCHLYRDSZLW-UHFFFAOYSA-N 327.343 3.728 0 1 EHAF COC(=O)[C@H]1C=Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106792 LYBZMXOKARXCKQ-AWEZNQCLSA-N 327.339 3.730 0 1 EHAF CCOC(=O)Cc1ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1 587115167 GOERWDOYYXDNOY-UHFFFAOYSA-N 349.312 3.749 0 1 EHAF CCc1c(-c2cc3c(cc2N)OCCO3)nc2cccc3c2c1CC3 587211496 RPWOLGDUFMTDTD-UHFFFAOYSA-N 332.403 3.916 0 1 EHAF C=CC(=O)Nc1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 587243686 JWWZLTZSSCMYKA-UHFFFAOYSA-N 343.184 3.512 0 1 EHAF Cc1cc2c(O)nc(O)nc2nc1-c1cccc(C(F)(F)F)c1F 587368603 NFNWRXUZNKZWJM-UHFFFAOYSA-N 339.248 3.569 0 1 EHAF Cc1nc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2n1 587527354 UDEZLDMZASAUQH-SFHVURJKSA-N 333.391 3.623 0 1 EHAF Cc1ccc2c(ccc3nc(CCOc4ccc(C=O)cc4)[nH]c32)n1 587566804 YORMXFRIUCEZLQ-UHFFFAOYSA-N 331.375 3.854 0 1 EHAF CCN(CC)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587741372 MVFLKZFNJJHVPC-ZBEGNZNMSA-N 343.284 3.679 0 1 EHAF CCOc1ccc(OCC)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 587778834 VCFCOVDPYXVAFK-QGZVFWFLSA-N 340.383 3.751 0 1 EHAF CC[C@@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587825281 CLJJZISZKABBHS-VFZGTOFNSA-N 344.224 3.593 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCC(=O)O)N1 587832114 YTPRDPTUGIJXKE-RFAUZJTJSA-N 344.224 3.593 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@]2(C)CCCO2)N1 587834170 QSKCQOSDUJEADV-VFVAKGGASA-N 342.252 3.907 0 1 EHAF Cc1nn(C[C@@H](C)C(=O)Oc2ccccc2)c(C)c1Br 621476576 YCPODEXGQXZDPZ-SNVBAGLBSA-N 337.217 3.504 0 1 EHAF COc1cccc(CNc2ncnc3ccc(-c4cnn(C)c4)cc23)c1 653819879 ZHTPEYGRXLEUCX-UHFFFAOYSA-N 345.406 3.651 0 1 EHAF Cc1cc(O)c(O)c(=O)cc1C(=O)c1ccc(-c2ccccc2)cc1 1772633009 ZMXASMZNQULKQE-UHFFFAOYSA-N 332.355 3.664 0 1 EHAF Fc1cccc2c1[C@@H](C1CCN(c3nccs3)CC1)n1cncc1-2 1857543179 WOALNEUXJJGUMC-QGZVFWFLSA-N 340.427 3.965 0 1 EHAF O=C(O)CCCC=C1C[C@@H]2[C@@H](C=C[C@H](O)C3CCCC3)[C@@H](O)C[C@H]2C1 2356499438 DKLGLHQHLFISGJ-SLHNCBLASA-N 348.483 3.682 0 1 EHAF CC1=C[C@H](CNC(=O)c2ccc(F)cc2)[C@@H](C(C)C)C[C@H]1CC(=O)O 2356507201 QHQXYXKIJNPWST-LZLYRXPVSA-N 347.430 3.885 0 1 EHAF CC[C@H](C)CNC=C1N=C(c2ccc(Br)[nH]2)C=C1OC 2356554974 DTZLODQOLXOKTM-JTQLQIEISA-N 338.249 3.587 0 1 EHAF O=C(C1CCCC1)N1CCC(CO)(Cc2ccccc2Cl)CC1 13595474 UVXKXYOYETXOIV-UHFFFAOYSA-N 335.875 3.674 0 3 EHAF Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@@H](N)C1 8636128 DTUOSDSYEGJCGW-TZMCWYRMSA-N 332.245 3.622 0 1 EHAF biogenic CC(C)(O)[C@H]1Cc2c(ccc3c2O[C@@H](c2ccc(O)cc2)CC3)O1 13379900 RXOBZEGNJOADLO-SJLPKXTDSA-N 326.392 3.533 0 1 EHAF biogenic O=c1cc(N2CCOCC2)oc2ccc(-c3ccc4[nH]ccc4c3)cc12 13677123 REMPCMJDUSKPFH-UHFFFAOYSA-N 346.386 3.778 0 1 EHAF Cc1c(O)cccc1Nc1nccc(Nc2ccccc2C(=O)O)n1 14960303 GEEIAOGWHIDWKR-UHFFFAOYSA-N 336.351 3.676 0 1 EHAF C[C@@H]1SC2=N[C@H]3c4ccccc4CC[C@H]3N2[C@@]1(O)c1ccccc1 28769192 GASCQHZZZZWUTG-XKMKODIBSA-N 336.460 3.695 0 1 EHAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3cccs3)C2)cc1 84669767 NGPMIMARODMZJV-AWEZNQCLSA-N 341.461 3.837 0 1 EHAF O=C(N1CC[C@@H](c2c[nH]c3ncccc23)C1)C1(c2ccc(F)cc2)CC1 84728128 UHQNJKXPEWRUIP-CQSZACIVSA-N 349.409 3.750 0 1 EHAF CC(C)(CCS(=O)(=O)CCCCCCCCO)N(Cl)Cl 96933021 DPLRKIVFUVWNHH-UHFFFAOYSA-N 348.336 3.512 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(Br)cc1)S2 101103125 RARSABFRLWAEFW-XUXIUFHCSA-N 341.270 3.990 0 1 EHAF O=C(O)/C=C\c1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586881751 YTZRQBXWKBUBSQ-SREVYHEPSA-N 348.337 3.653 0 1 EHAF Cc1cc(Br)c2[nH]c(C(C)(C)SCC(=O)O)nc2c1 586959630 OMHNNFJPADZUCI-UHFFFAOYSA-N 343.246 3.687 0 1 EHAF Cc1cc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c(C)n1 587003507 LHLANLCKVQHSMT-UHFFFAOYSA-N 342.200 3.881 0 1 EHAF N=C(N)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029995 XQGLWNORHMWHHC-UHFFFAOYSA-N 349.419 3.549 0 1 EHAF COc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F 587075634 FXDHVHYMRVXZRY-MRXNPFEDSA-N 345.761 3.981 0 1 EHAF Nc1ccc(F)c(Cc2nc3cc(F)cc(Br)c3[nH]2)c1 587141388 QARUFEHQCDYAQG-UHFFFAOYSA-N 338.155 3.777 0 1 EHAF O=C1CCc2cc3nc([C@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3cc2N1 587151432 HWVYCPKIBNFAPQ-NEPJUHHUSA-N 339.345 3.997 0 1 EHAF CC(=O)c1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587233207 KFAKBYWTSGRFIL-UONOGXRCSA-N 343.427 3.926 0 1 EHAF Cc1ccc(CCc2nc3cc(Br)c(C)nc3[nH]2)cc1N 587250623 NRIXWRWGQBLXLH-UHFFFAOYSA-N 345.244 3.705 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Br)cc1C)O2 587373476 QYMZGADLIMHXKL-AWEZNQCLSA-N 347.212 3.750 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc(C(F)(F)F)cs1)O2 587381944 IWSAUBBULBMYHW-AWEZNQCLSA-N 342.342 3.933 0 1 EHAF CCC[C@@H](OC)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587554769 KDIMURYZEBIDQS-OAHLLOKOSA-N 325.368 3.591 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CC[C@@H]1CCOC1 587619813 ZLQULOGJNOXWEA-QBIMZIAESA-N 340.375 3.539 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCSCC1 587620342 YETJIYHLKMGJPC-VQIMIIECSA-N 342.416 3.866 0 1 EHAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)cn1 587633835 NQDFHPIHSXBJIR-UHFFFAOYSA-N 325.265 3.773 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccccc32)N1 587818615 RMEFQRUUKXAZAF-QGHHPUGFSA-N 332.216 3.922 0 1 EHAF Fc1ccc2c(c1)-c1cc(n(-c3nn4cnnc4c4ccccc34)n1)O2 587875835 NUBSUVULANRIHF-UHFFFAOYSA-N 344.309 3.375 0 1 EHAF COc1ccc(CCCc2nc3cc(Cl)cnc3[nH]2)c(OC)c1 587929592 XWJXJSBHADDIJS-UHFFFAOYSA-N 331.803 3.804 0 1 EHAF COc1cccc(Nc2nccc(Nc3ccc4n[nH]cc4c3)n2)c1 653886978 UVBAFGUYHDPGPO-UHFFFAOYSA-N 332.367 3.849 0 1 EHAF COc1ccc(-c2c(-c3ccc(F)cc3)noc2CC(=O)O)cc1 1857608857 SLVWIXKZTLYYOE-UHFFFAOYSA-N 327.311 3.783 0 1 EHAF C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2ccccc2C(F)(F)F)CO1 1857640652 UASXOTVJCSRYMT-BHDSKKPTSA-N 330.375 3.597 0 1 EHAF Cc1cccc(-c2cc(NCCc3cccnc3)n3nccc3n2)c1 61903454 KWGPCEHBFVNZSR-UHFFFAOYSA-N 329.407 3.754 0 3 EHAF COc1cccc(Nc2nc([C@H](N)Cc3ccccc3)cs2)n1 61904513 BHRXQISOAYNAGG-CYBMUJFWSA-N 326.425 3.533 0 3 EHAF O=C(Nc1sccc1S(=O)(=O)c1ccccc1)c1ccccc1 1653569 MUMNOQLMMQKDKJ-UHFFFAOYSA-N 343.429 3.833 0 1 EHAF CC(C)(C)c1cc(/C=C2/CCNS2(=O)=O)cc(C(C)(C)C)c1O 13558282 RLUKXSOYOBRCTH-LCYFTJDESA-N 337.485 3.651 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2cccnc2)/C1=C(\O)OC1CCCC1 27557539 JFMMPUXNNOIZFC-XIGQLOAZSA-N 343.383 3.877 0 1 EHAF O=C1CCc2ccccc2N1C1CCN(CCc2ccccc2)CC1 27858163 IZXZGPQCAAVZJF-UHFFFAOYSA-N 334.463 3.673 0 1 EHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3nccs3)cc2)C[C@@H]2CC[C@H]1N2C 28565879 XUJAZHYZOMZFOS-YLFCFFPRSA-N 342.464 3.549 0 1 EHAF Cn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2ccc(O)cc21 35259667 VJKVXRCXQHADTO-UHFFFAOYSA-N 348.446 3.979 0 1 EHAF Nc1c(Cl)cc(C(=O)N2C3CC4CC(C3)CC2C4)cc1Cl 36286461 WOEHKTBKVZANJD-UHFFFAOYSA-N 325.239 3.979 0 1 EHAF Cc1ccc(NC(=O)c2nscc2NCc2ccncc2)c(F)c1 40393427 UZURVUGOBZNVIY-UHFFFAOYSA-N 342.399 3.850 0 1 EHAF COC(=O)c1cc(-c2cn(Cc3ccccc3)c3ccccc23)[nH]n1 84687382 UGSLTXDALPGIBI-UHFFFAOYSA-N 331.375 3.866 0 1 EHAF NC(=O)c1cccc(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)n1 101581780 ZDHOTOWEQKLEGE-OKILXGFUSA-N 338.407 3.596 0 1 EHAF COc1ccccc1Nc1nc(C)nc2c1cnn2-c1ccccc1 103183938 IUUOUPCSFYIKDF-UHFFFAOYSA-N 331.379 3.876 0 1 EHAF O=C1NCCc2c(-c3cc[nH]n3)sc(Sc3ccccc3)c21 146425352 LRYCBPUPCOBKJB-UHFFFAOYSA-N 327.434 3.575 0 1 EHAF CC[C@@H](C)[C@H]1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 169343371 WNNARJAEGCXIMV-VXNVDRBHSA-N 331.195 3.858 0 1 EHAF Cc1cc(O)c(C(=O)C2=NNC[C@@H]2c2ccccc2)c(C)c1Cl 299860338 JDJGQJAREBNWLN-CYBMUJFWSA-N 328.799 3.588 0 1 EHAF Cc1nccc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc12 586901140 OTFODRJOWFAMFG-UHFFFAOYSA-N 333.347 3.918 0 1 EHAF Cc1ccc2c(ccc3nc(CSc4nnc(S)s4)[nH]c32)n1 587024862 FULPLBVDOXMQDN-UHFFFAOYSA-N 345.478 3.852 0 1 EHAF Fc1cnc(Cl)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 587040543 HYDYXRQVNJVKSA-NWDGAFQWSA-N 348.834 3.697 0 1 EHAF COc1cc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2cn1 587047907 CELPTFPBUWUTEL-UHFFFAOYSA-N 344.802 3.881 0 1 EHAF CCN1C(=O)C[C@@H](c2nc3cccnc3[nH]2)[C@@H]1c1ccccc1Cl 587061530 NANIUNZRBCLUHN-WBMJQRKESA-N 340.814 3.688 0 1 EHAF Oc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587115843 BYRKPLGFMNBGNX-UHFFFAOYSA-N 330.269 3.898 0 1 EHAF C[C@@H](Oc1ccc(CCc2cc3c4c(cccc4n2)CC3)cc1)C(=O)O 587211449 HDRVUKOXPNCHKM-CQSZACIVSA-N 347.414 3.971 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3cc(F)ccc31)O2 587384396 LJVSKBUVUFJKDL-IBGZPJMESA-N 327.355 3.750 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1cccc(F)c1)O2 587384724 NSXSUPFVVHYKCQ-QGZVFWFLSA-N 337.354 3.813 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3ncccn3)c1)O2 587393249 DBWRTHPJWNPHBH-SFHVURJKSA-N 347.374 3.866 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cn(C)c4cc(OC)ccc14)[C@@H](C2)C3=O 587431079 MLKQYKKWGBXFBA-BTYIYWSLSA-N 349.386 3.684 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(C1CCCC1)CC2=O 587478259 IRGJMNSYLQJKFK-HXUWFJFHSA-N 346.423 3.802 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C2CC2)[nH]n1 587596318 QTUXJTHQSAVBSG-YLJYHZDGSA-N 348.358 3.696 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1ncnc2c1oc1ccccc12 587653215 RXIISAVXAITBKX-UHFFFAOYSA-N 348.749 3.729 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC(=O)C2)N1 587818948 SYFMRDSXVOGYKP-HWPZZCPQSA-N 340.236 3.851 0 1 EHAF Cc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852781 IWZWMTJBPWQLMZ-NXSYQRQQSA-N 341.249 3.977 0 1 EHAF COc1ccccc1CCNC[C@@H]1C[C@H]1c1cc(F)ccc1OC 1772634592 KRFJMGWOCHPLGB-DOTOQJQBSA-N 329.415 3.779 0 1 EHAF Cc1ccc(OC[C@@H](O)CNCC2(c3cccs3)CCCC2)cc1 1857646619 YGSZOLBJQDRZDM-KRWDZBQOSA-N 345.508 3.898 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)C(=O)CC[C@@H]32)C1 2356501323 VEIFMBQHUYNEPN-QFEHUFDHSA-N 346.467 3.709 0 1 EHAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@@]1(C)CCC(=CCO)CO 2356558905 PMZIYJMAYWHWNG-PEFDPPPMSA-N 336.472 3.541 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@H](O)[C@@]12C 2356569761 RHWFWNVZBUNMDN-TZOHYUNLSA-N 332.396 3.502 0 1 EHAF COc1cc(C=C(CC=Cc2ccc(O)cc2)C(=O)O)ccc1O 2356827288 HPDRKVBQHRTALB-UHFFFAOYSA-N 326.348 3.678 0 1 EHAF CSc1ccc(CN2CC[C@]2(C)C(=O)NCc2cccs2)cc1 61897885 GOFOXHGFUUHJLC-GOSISDBHSA-N 346.521 3.751 0 3 EHAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N(C)C 4295646 QCTGOOPKPYSFQZ-ZWKOTPCHSA-N 332.444 3.797 0 1 EHAF COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1cc(C)c(C)cc1C2=O 5539814 KFYPYRIWJJGRNM-GHTZIAJQSA-N 348.402 3.817 0 1 EHAF O=C(NCc1ccc(Cl)cc1)c1cc2cc(O)ccc2cc1O 6535622 BPJREZOZUXMGDW-UHFFFAOYSA-N 327.767 3.834 0 1 EHAF C1=C(c2ccccn2)CC[C@@H](CCN2CCN(c3ccccn3)CC2)C1 18212274 KTGXACIWWLVCPX-IBGZPJMESA-N 348.494 3.872 0 1 EHAF in-vivo CC(C)c1cc(NCc2cccnc2)n2ncc(Br)c2n1 28958822 MMWMWUIAVIIWKJ-UHFFFAOYSA-N 346.232 3.622 0 1 EHAF CN(Cc1ccccc1)C(=O)c1cc(C(=O)C(F)(F)F)cs1 29070047 WRODGKNMXQYIQO-UHFFFAOYSA-N 327.327 3.765 0 1 EHAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CNC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29405418 UOHCSROFYMVISA-FCOYLTGOSA-N 347.499 3.687 0 1 EHAF C[C@]1(c2ccc(-c3ccc4ccccc4c3)cc2O)OC(=O)NC1=O 71332318 BWJWCBNWYFEMOZ-HXUWFJFHSA-N 333.343 3.694 0 1 EHAF N#Cc1cc2c(c3ncccc13)NS(=O)(=O)c1ccc(Cl)cc1-2 141820022 RZAKIQKQNBYJQY-UHFFFAOYSA-N 341.779 3.541 0 1 EHAF N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1ccccc1Cl 587056657 KHAQRGIZCRPMRY-JTQLQIEISA-N 325.174 3.646 0 1 EHAF FC(F)(F)[C@@](F)(Cl)c1nc2ccc(Br)nc2[nH]1 587090386 PSPUQLVQHSURHI-SSDOTTSWSA-N 332.482 3.644 0 1 EHAF COc1c(F)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1F 587134729 LNQBXWRFLXBQKH-UHFFFAOYSA-N 332.306 3.678 0 1 EHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccnc(Cl)c3[nH]2)cn1 587247189 JIYVOMYYIMNHFL-UHFFFAOYSA-N 329.791 3.658 0 1 EHAF COc1cc2c3c(c1)O[C@](C(C)=O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587421732 WZBPASOYOHZANW-HNAYVOBHSA-N 342.778 3.581 0 1 EHAF CC[C@@]1(c2ccc(O)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587425691 GNFVWQQCDJRIQZ-YJYMSZOUSA-N 328.339 3.593 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cccc4c1NCCC4)[C@@H](C2)C3=O 587441923 VLCVXHOIMMOKSI-HRAATJIYSA-N 335.403 3.716 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(O)cc31)CC2=O 587493229 UDBZGUIIYLCOAJ-FQEVSTJZSA-N 340.375 3.694 0 1 EHAF O=C1C[C@H](c2ccc(-n3ccnc3)nc2)Oc2c1ccc1c2CCCC1 587516813 WUMBVQNGMIBLQV-LJQANCHMSA-N 345.402 3.853 0 1 EHAF C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587216 MVXSQJRKCNQBSP-XLIONFOSSA-N 333.343 3.664 0 1 EHAF C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(F)c(Cl)c12 587631788 UNFKOIQZTDAFCG-FZJAPFIMSA-N 348.805 3.951 0 1 EHAF COc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(OC)c1O 587783986 CDSJMDOKJGQLGC-UHFFFAOYSA-N 340.166 3.655 0 1 EHAF CCCC/C=C\c1nc2ccc(S(=O)(=O)NCCCC)cc2[nH]1 587966926 ZEBLNECOHGMPLX-HJWRWDBZSA-N 335.473 3.845 0 1 EHAF O=C(O)/C=C/C=C\c1nc2c(Cl)cc(Br)cc2[nH]1 587966948 ZRJMGGCCVKINBU-HSFFGMMNSA-N 327.565 3.633 0 1 EHAF CONc1ccc(Nc2nccc(Nc3ccc4n[nH]cc4c3)n2)cc1 653876580 DINZVDWFINZZJY-UHFFFAOYSA-N 347.382 3.813 0 1 EHAF C[C@@H]1C[C@H]2C[C@]3(C[C@H]2C1)c1c(Cl)ccc2c1CCN3[C@@H]2C(=O)O 962575809 SHRSMTVWHKDLGE-HHSIMYIDSA-N 331.843 3.989 0 1 EHAF C[C@@H](NC(=O)N1C(=O)C[C@H]1Sc1ccc(F)cc1)c1ccccc1 1857601245 NSIPFBFYAKEYEQ-SJKOYZFVSA-N 344.411 3.947 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](O)[C@H]21 1857640768 DBLRELQFSMTLPI-RARDXLECSA-N 328.408 3.587 0 1 EHAF Cc1ccccc1OCCCOc1ccc2c(c1)OC[C@H]2CC(=O)O 1857769450 GSFFAQLVCXDMIY-OAHLLOKOSA-N 342.391 3.794 0 1 EHAF CC(C)CCCCCCC(=O)NC(=Cc1ccc(O)cc1)C(=O)O 2356328340 SSNQNYQKPDUFGG-UHFFFAOYSA-N 333.428 3.931 0 1 EHAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@](C)(O)[C@H](O)CCC(C)=CCC1 2356422406 BOERTAMGLQYYOW-NSHGMRRFSA-N 334.456 3.587 0 1 EHAF CC[C@H](C)C(=O)O[C@@H]1CC(C)=C[C@H](O)[C@@H]1[C@@](C)(O)CCC=C(C)C 2356470790 JUXQSTHZYPGVLK-JNIAIEOXSA-N 338.488 3.769 0 1 EHAF CN1[C@H](CCCCCCCCC(=O)O)C[C@H](O)[C@H]1Cc1ccccc1 2356802477 SHNGUTOBVBMHGD-AQNXPRMDSA-N 347.499 3.868 0 1 EHAF Clc1ccc2c(c1)[C@H](N1CCNCC1)Cc1ccccc1S2 19801854 YITAORWEHMMACD-MRXNPFEDSA-N 330.884 3.994 0 3 EHAF N[C@H](Cc1ccc(Cl)cc1)c1csc(Nc2cnccn2)n1 61930360 YRYNXCGMQAYHRX-GFCCVEGCSA-N 331.832 3.573 0 3 EHAF COc1ccc(-c2ccc3c(c2)N(CC2CC2)C(=O)COC3)c(C)c1 74375646 TYVOYOJSXUNCSW-UHFFFAOYSA-N 337.419 3.944 0 3 EHAF CC(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2 3956410 WSJIZDPDWOIDLW-UHFFFAOYSA-N 334.463 3.720 0 1 EHAF CSc1nc(O)c2c(n1)N=C1CCCC(=O)[C@@H]1[C@@H]2c1cccs1 8584574 TUJRFXINBBRYDA-NEPJUHHUSA-N 345.449 3.553 0 1 EHAF c1ccc(CNc2ncnc3c(NCc4ccccc4)ncnc23)cc1 13583288 SRPMRWKJBDGPIR-UHFFFAOYSA-N 342.406 3.644 0 1 EHAF CCN(C)C(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959109 SVGGWCSPGCMEAQ-UHFFFAOYSA-N 328.803 3.817 0 1 EHAF Fc1ccc(Nc2ncc3c(n2)CCN(CCc2ccccc2)C3)cc1 21639753 OLCMGZZLJIVEPA-UHFFFAOYSA-N 348.425 3.960 0 1 EHAF Cc1cccc(Cn2c(C)nnc2C2CCN(c3ccccn3)CC2)c1 38695414 CAWWYHJBQQRDKJ-UHFFFAOYSA-N 347.466 3.722 0 1 EHAF CCCOc1ccc2cc3[n+](cc2c1)CCc1cc2c(cc1-3)OCO2 40915634 WMXNMQCFVQDIPN-UHFFFAOYSA-N 334.395 3.868 0 1 EHAF COc1ccc(OC)c(-c2cc(NCc3cccs3)ncn2)c1 82160760 XXSQSRVZGYLULU-UHFFFAOYSA-N 327.409 3.834 0 1 EHAF COc1cc(Cl)ccc1O[C@H](c1ccccc1C)[C@@H]1CNCCO1 89465197 QMMAMXVYCMLPGH-RBUKOAKNSA-N 347.842 3.766 0 1 EHAF in-vitro CCS(=O)(=O)Nc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cc1 95921262 ORNLONLBPQOYPF-AATRIKPKSA-N 331.437 3.941 0 1 EHAF in-vitro O=C(Cc1cccc(Cl)n1)c1cc(Oc2cccnc2)ccn1 96178142 PQGZRPBTUIHILM-UHFFFAOYSA-N 325.755 3.743 0 1 EHAF CC[P@](=O)(OC)C1=CCN(C(=O)OCC[Si](C)(C)C)CC1 195477728 HVOZYIAQUCRSPJ-FQEVSTJZSA-N 333.441 3.995 0 1 EHAF Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2cc(F)cc(F)c2)CC1=O 205761853 YXVIRDPCIFUWLH-ZDUSSCGKSA-N 344.361 3.573 0 1 EHAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@H]2C(=O)CC[C@H](C)[C@@]12C 238750516 YZMCEIPMEWQHNJ-MRAULBJFSA-N 346.423 3.807 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Cl)cnc2[nH]1 586918043 VYCLPBRCERJYHM-SCLBCKFNSA-N 341.798 3.828 0 1 EHAF N[C@@H](Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1F 587144674 PXXDIOCNPMLVPL-LBPRGKRZSA-N 334.192 3.707 0 1 EHAF COC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587153413 ZSZYBSODBVMMSG-VXGBXAGGSA-N 328.318 3.899 0 1 EHAF COc1cc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2cc1Cl 587234652 SJHZRRPBOLAFEW-UHFFFAOYSA-N 335.835 3.766 0 1 EHAF C[C@H](N=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332252 CXEXYRFBBDDOKG-FEMPBKKVSA-N 329.327 3.804 0 1 EHAF COC(=O)c1cc(Cl)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587377096 GYAUGOKIQRSELU-INIZCTEOSA-N 345.782 3.724 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(=O)c1ccc3ccccc3c1)O2 587406653 TXIHMSNNUZKALR-IBGZPJMESA-N 331.371 3.947 0 1 EHAF Cc1cccnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587767431 APCUUQCREUKVGO-QLJPJBMISA-N 335.220 3.915 0 1 EHAF COC(=O)Cc1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587783025 CTCMGZQATDQTOI-UHFFFAOYSA-N 336.178 3.647 0 1 EHAF COc1ccc(Cl)c2c1CCN[C@]21CCOc2c(C)cccc21 963258578 OQIBORRHLWCXBX-IBGZPJMESA-N 329.827 3.829 0 1 EHAF C[C@]1(C=C(C(F)(F)F)C(F)(F)F)NCCc2ccc(O)cc21 963339998 DPRVHRKGKLTTON-GFCCVEGCSA-N 325.252 3.804 0 1 EHAF Cc1cc2c(cc1O)[C@](C(C)C)(C1CCCCC1)N[C@H](C(=O)O)C2 963469881 LEAPBTDCXMVRJF-PXNSSMCTSA-N 331.456 3.731 0 1 EHAF CCN1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 1911580927 SAJIVNDJTARWAW-KRWDZBQOSA-N 345.240 3.813 0 1 EHAF C[C@@H]1CCCCCCCCCCCC[C@H](O)[C@@H](O)C=CC(=O)O1 2356319847 KCGTVVRNFOGCSR-SQNIBIBYSA-N 326.477 3.891 0 1 EHAF COCc1cccc(-c2ccc3c(c2)COCC(=O)N3C(C)C)c1 74375294 DANUBUODHHVQQM-UHFFFAOYSA-N 325.408 3.772 0 3 EHAF COc1ccc2c(c1)CCCN1CCc3cc(OC)c(OC)cc3[C@H]21 1641804 XCUJHGZDLPCNTA-NRFANRHFSA-N 339.435 3.606 0 1 EHAF C[C@H](NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c1ccccc1 3188958 HIBLBXDGYWMMPH-QMMMGPOBSA-N 328.256 3.930 0 1 EHAF biogenic Nc1nc(N)c2nc(CSc3cccc4ccccc34)ccc2n1 3814919 KUKKYMVHCDIMNT-UHFFFAOYSA-N 333.420 3.635 0 1 EHAF N[C@@H](CCCCC[P@@](=O)(c1ccccc1)[C@H]1C=CC=CC1)C(=O)O 6004783 MPRXIYJLNGKBGR-LLJLJFOGSA-N 347.395 3.532 0 1 EHAF COc1cccc(Nc2[nH]nc3c2Cc2cc(OC)c(OC)cc2-3)c1 13677837 UTQJHQHYLXMCNU-UHFFFAOYSA-N 337.379 3.750 0 1 EHAF CC1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@@H](c1ccc(O)cc1)CC3 14723943 MWPKKKZPSWEABN-AEFFLSMTSA-N 326.392 3.533 0 1 EHAF biogenic CN(CCCC(=O)c1ccc(F)cc1)CCN(C)Cc1ccccc1 26747117 ZHNIVWNGTKEOFB-UHFFFAOYSA-N 342.458 3.852 0 1 EHAF 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aggregator COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@@H]1N2C 2513213 AMIHUYQKNJHXPT-FIXIBIHLSA-N 328.239 3.733 0 1 EHAF CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1ccc(C)c(C)c1)[C@H]2C(=O)O 4167117 XUGIJGUMARNJGR-IDCNUPLLSA-N 327.424 3.935 0 1 EHAF O=C(c1ccccc1)c1cnc2n[nH]cc2c1OCc1ccccc1 8536591 GORMTBAZTHPFSU-UHFFFAOYSA-N 329.359 3.768 0 1 EHAF c1ccc2c(NCCCN3CCOCC3)c3c(nc2c1)CCCCC3 13533623 IMLBZOLBBFTJNL-UHFFFAOYSA-N 339.483 3.638 0 1 EHAF CC(=O)CC[C@H](/C=C/[C@](C)(O)C/C=C/[C@@]1(C)CCC(=O)O1)C(C)C 14501535 NONYMPHQXUGMIU-FBKJCEBKSA-N 336.472 3.977 0 1 EHAF CCC(=O)N(c1ccc(Br)cc1)[C@H]1CCC[C@H]1N(C)C 28242138 VLKLBMVYCDBBDP-CABCVRRESA-N 339.277 3.675 0 1 EHAF CC(C)(CN)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 28563455 YRHGMGAVJILIGS-UHFFFAOYSA-N 342.830 3.734 0 1 EHAF O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCCC1 34640599 NLFWQCWUWKPTTA-XIWZRWORSA-N 344.543 3.972 0 1 EHAF CCSC(=S)SCC(=O)c1ccc(CN(C)C(C)=O)cc1 40935305 SFAAXJJCODFPCJ-UHFFFAOYSA-N 341.523 3.619 0 1 EHAF CC(=O)Nc1ncc(CN2CCC(F)(c3ccccc3)CC2)s1 218896832 HYYWMUDKKSUEQM-UHFFFAOYSA-N 333.432 3.562 0 1 EHAF CC1CCN(c2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)CC1 299863338 KZKWIMSZKNQYFJ-UHFFFAOYSA-N 338.459 3.546 0 1 EHAF N[C@H](Cc1nc2ccc(F)cc2[nH]1)c1ccc(Br)cc1 586996557 HNLCNZBEAPJHJX-GFCCVEGCSA-N 334.192 3.707 0 1 EHAF COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)c(C)c1 587213606 JPKXFCCUWVWQEV-UHFFFAOYSA-N 333.387 3.945 0 1 EHAF C=CC(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587243317 BKOXMDWXRGHDLS-UHFFFAOYSA-N 335.363 3.516 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCN(C)C(=O)OC(C)(C)C)O2 587387413 PQQYPWZPQSJKDR-IBGZPJMESA-N 348.443 3.558 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3nc(O)ccc31)O2 587394910 LHNDXSKAFZUORS-HXUWFJFHSA-N 338.407 3.511 0 1 EHAF COc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587398314 FDRUFZIBJHOSCB-QGZVFWFLSA-N 327.380 3.609 0 1 EHAF COCC[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429142 SWUOIYSMJBSPIN-OXQOHEQNSA-N 342.366 3.514 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnc4c(cnn4C(C)C)c1)[C@@H](C2)C3=O 587430364 DSFWCQOKUGEQNW-HNAYVOBHSA-N 349.390 3.510 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccn1Cc1ccco1)[C@@H](C2)C3=O 587431698 QKLRESHNQKFGIL-YWZLYKJASA-N 335.359 3.627 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O 587437460 FVMJFJNVDFHKFN-BTYIYWSLSA-N 349.386 3.848 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O 587437463 FVMJFJNVDFHKFN-YCRPNKLZSA-N 349.386 3.848 0 1 EHAF COc1ccc(C[C@@H](C)[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440650 CCJQASOYKPWOND-ZXNZOMRRSA-N 338.403 3.699 0 1 EHAF C/C=C/CC[C@]1(CC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 587477071 DTIQTEIDCOMIPJ-PEAOBZDDSA-N 346.423 3.968 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)ccn1)CC2=O 587486809 LOWXEPSYBVQHSR-LJQANCHMSA-N 327.380 3.629 0 1 EHAF O=C1C[C@H](c2cnn(-c3ccncc3)c2)Oc2c1ccc1c2CCCC1 587517305 KPCYDGWUVQXGKL-HXUWFJFHSA-N 345.402 3.853 0 1 EHAF COC(=O)[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525477 PCUDNPXRFHHHBR-UZLBHIALSA-N 328.408 3.633 0 1 EHAF CCc1sc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1C 587654780 ZRZUJNVRABIGTE-UHFFFAOYSA-N 332.812 3.671 0 1 EHAF CC(C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656002 SFMHARRCDUKSPX-UHFFFAOYSA-N 328.318 3.638 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cnccc32)N1 587780054 XWMAHGLKFHGIPL-QGHHPUGFSA-N 347.231 3.707 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1cccnc1 587870874 UMGYTVLFCBMJSI-UHFFFAOYSA-N 339.370 3.756 0 1 EHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OCO3 587927861 VHFGMAGAGKHJOP-LBPRGKRZSA-N 340.379 3.851 0 1 EHAF COc1cc(C)c(O)n1-c1cnc2cc(Br)ccc2c1 587938845 DMSILFWELSPLGM-UHFFFAOYSA-N 333.185 3.811 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2nc(N)sc2C)N1 962939010 BGWSWRGNYIGIGU-VOJFVSQTSA-N 326.469 3.703 0 1 EHAF Oc1ccc2c(c1)[C@H](c1cc3c(Br)cccc3[nH]1)NCC2 963342677 RRBJGJCMAOXUDR-QGZVFWFLSA-N 343.224 3.871 0 1 EHAF O=C(COc1ccc(-c2ccccc2)cc1)Cn1nnc2ccccc21 1772578131 MZAIYLJLGSNNPR-UHFFFAOYSA-N 343.386 3.746 0 1 EHAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1Cc1ccccc1 614816 XOSPGPNKDYEJGU-KJWXAFIESA-N 333.431 3.864 0 1 EHAF COc1cccc(-c2nc3ccc(N4CCC(C)CC4)cc3c(=O)[nH]2)c1 13835243 SMLMMHUDKMIFOT-UHFFFAOYSA-N 349.434 3.835 0 1 EHAF CCc1cc(-c2ccccc2)c2oc(N3CCOCC3)cc(=O)c2c1 26728790 YPCMHZMENQJQJO-UHFFFAOYSA-N 335.403 3.859 0 1 EHAF CC[C@@H](COc1cccc(OC)c1)OC(=O)NCc1ccccc1 36416093 OZDJSECZACNOAD-INIZCTEOSA-N 329.396 3.779 0 1 EHAF COc1cccc(OCc2ccc(C(=O)Nc3nc(C)cs3)o2)c1 95755673 ZFYTZOHVLJWMNI-UHFFFAOYSA-N 344.392 3.884 0 1 EHAF CN1C=CN(COCCc2ccccc2C(F)(F)F)/C1=C/N=O 136891154 QJQVUUMUYYLEQB-GXDHUFHOSA-N 327.306 3.506 0 1 EHAF O=C(c1cc(-c2ccccc2)c2cc(F)ccc2n1)N1CCOCC1 169320906 WWCFZJZOVLXHBD-UHFFFAOYSA-N 336.366 3.513 0 1 EHAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 299872637 QIVOTMOKECOCJC-ZHXFAHDXSA-N 334.500 3.566 0 1 EHAF CCOC(=O)c1ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c1 586878481 FGJWAHNKPMASDF-CSKARUKUSA-N 336.347 3.608 0 1 EHAF Cc1nc2[nH]c(C3(c4ccccc4O)CC3)nc2cc1Br 586897301 ZLMKEGUJPSSBJO-UHFFFAOYSA-N 344.212 3.814 0 1 EHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)n1 587078865 CRVFJLSCFUPKIX-SNVBAGLBSA-N 345.834 3.753 0 1 EHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)cnc2[nH]1 587080690 SLLZXMCCDJXKPS-LBPRGKRZSA-N 346.221 3.989 0 1 EHAF COc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cn1 587133759 BWQFUGRDCLJXHY-NSCUHMNNSA-N 341.239 3.832 0 1 EHAF O=C(N[C@H](c1ccccc1)c1nc2cccc(O)c2[nH]1)c1ccccc1 587224288 RDYOPZIDOWXCEQ-GOSISDBHSA-N 343.386 3.788 0 1 EHAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc[nH]c(=N)c3[nH]2)c1 587240418 DIAMQZUDSYIKMY-UHFFFAOYSA-N 344.422 3.980 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cnccn3)cc1)O2 587394524 XBFRBBPOVRUWOT-IBGZPJMESA-N 331.375 3.741 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnc(C(F)(F)F)s1)[C@@H](C2)C3=O 587422618 PITFFUCKGMNLFX-SDBXPKJASA-N 341.310 3.659 0 1 EHAF CCn1nc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587432164 OHLKZLTWUWCMMH-VLIAUNLRSA-N 334.375 3.554 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)nc1C)CC2=O 587479062 ATQAHWUFEHCRPF-LJQANCHMSA-N 327.380 3.634 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](CCCCC1OCCO1)CC2=O 587493129 SCOWBQIRQVLDJK-ZDUSSCGKSA-N 334.412 3.612 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2N)N1 587740578 BETPEYSKAISXIM-QGHHPUGFSA-N 349.247 3.968 0 1 EHAF CCC(=O)[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814592 UQZQFSGJBHGYEQ-BJOHPYRUSA-N 328.225 3.707 0 1 EHAF O=C(O)c1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O 587945193 KGTFUQBAWKUIDC-ZDUSSCGKSA-N 345.326 3.552 0 1 EHAF COc1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2cc1F 587952535 STXNBUWPKSWLSA-HIFPTAJRSA-N 336.407 3.788 0 1 EHAF CCc1cc(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)c(O)cc1O 653631630 SYJYSOKUIFAFHT-NSHDSACASA-N 329.371 3.781 0 1 EHAF CC1(C)COCC[C@]12NC1(CC1)Cc1ccc(Br)cc12 961746363 CZWPCNDFOZSYDT-QGZVFWFLSA-N 336.273 3.769 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(Cl)cnc1C 963056164 LFJXLSOYQHKPKA-IBGZPJMESA-N 339.826 3.835 0 1 EHAF CN(C)S(=O)(=O)Oc1ccc(-c2ccc3sccc3c2)cc1 1857562761 ZGSPEMQHRWZQAH-UHFFFAOYSA-N 333.434 3.754 0 1 EHAF COc1cc2c(c(OC)c1OC)[C@H](c1ccccc1Cl)NC(=O)N2 1857644543 MISFASNNPCWRIV-AWEZNQCLSA-N 348.786 3.590 0 1 EHAF COc1cc(OC)c2c(c1)O[C@@H](c1ccc(OC(C)=O)cc1)CC2 2356575497 PHOXHMRWOMKFHA-QGZVFWFLSA-N 328.364 3.695 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1[C@](C)(O)C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 2356624144 SJCQJLXYLFQJRA-OVWALXMSSA-N 338.488 3.762 0 1 EHAF CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc2nc(C)ccc2c1 61897898 UQRCCLZLIBBCDM-FQEVSTJZSA-N 339.439 3.663 0 3 EHAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H](O)[C@@H]21 5551461 TZGCTXUTNDNTTE-DYZHCLJRSA-N 348.483 3.901 0 1 EHAF biogenic CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=S)N1CCCC1 5714362 HTBOVAIZEKLASI-HNNXBMFYSA-N 334.485 3.546 0 1 EHAF O=c1c(-c2ccccc2)cncn1[C@@H](CN1CCCC1)c1ccccc1 13488427 HRAJKYKDOGNEMT-NRFANRHFSA-N 345.446 3.596 0 1 EHAF C[C@H]1CCCC[C@H]1NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 13833790 SKWFVNMXOGFNNC-APHBMKBZSA-N 328.481 3.611 0 1 EHAF CCN1CCc2ccc(NC(=O)CCc3ccccc3OC)cc2C1 23398642 UFXZTOBPSBZXCS-UHFFFAOYSA-N 338.451 3.645 0 1 EHAF CC(C)NC[C@@H](O)COc1ccc(CCOCC2CCCCC2)cc1 25967267 XAQUXKYKUDRDHN-HXUWFJFHSA-N 349.515 3.564 0 1 EHAF FC(F)(F)c1cccc(-c2ccc3nnc(C(F)(F)F)n3n2)c1 27652650 IMBLRIFKZFCLQR-UHFFFAOYSA-N 332.207 3.829 0 1 EHAF NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1 28826400 FARQYUHOSNLRKV-UHFFFAOYSA-N 346.430 3.910 0 1 EHAF in-vivo CN1CCC[C@H](c2nc3ccccc3n2CCOc2ccccc2)C1 49070545 LDKQFEPUPKIHCG-KRWDZBQOSA-N 335.451 3.925 0 1 EHAF CC(C)OC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2)N1 73390551 DLPQACDNNKNHOH-RBUKOAKNSA-N 334.419 3.723 0 1 EHAF CSC(=N)Nc1ccc(CCc2csc(NC(C)=O)n2)cc1 95584925 VIKCRVGODPOLDB-UHFFFAOYSA-N 334.470 3.596 0 1 EHAF CC1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 144704710 QFCQRNMKEFNJTM-SFHVURJKSA-N 347.336 3.557 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@]4(C)[C@H]3CC[C@]12C 169364321 QMLITUVHFWKQTB-JEOUVKQFSA-N 347.499 3.829 0 1 EHAF CC(C)NCc1ccc(-c2cc3[nH]cc4c(O)nnc(O)c(c2)c34)cc1 473085990 ZQOZVYMUXRFTNB-UHFFFAOYSA-N 348.406 3.687 0 1 EHAF Cc1nc(Br)sc1-c1nc2cc(Cl)ncc2[nH]1 587012616 ZKVWBTHHIUJMOA-UHFFFAOYSA-N 329.610 3.806 0 1 EHAF COc1c(F)ccc(F)c1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587132957 MOWCOUAAXDAFLJ-UHFFFAOYSA-N 329.228 3.931 0 1 EHAF COc1nccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c12 587136114 KCGDQIUVIMQJNP-UHFFFAOYSA-N 330.363 3.532 0 1 EHAF CC(C)(C)OC(=O)N(Cc1nc2ccc(F)cc2[nH]1)C[C@H]1CCCO1 587197669 SCANQRBNYDAXEF-CYBMUJFWSA-N 349.406 3.618 0 1 EHAF Nc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c2ccccc2c1 587252014 QHIPNQUMQDWEEH-UHFFFAOYSA-N 329.285 3.726 0 1 EHAF COC(OC)c1ccc(F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587381570 JECJFNGYDJYHIY-QGZVFWFLSA-N 345.370 3.714 0 1 EHAF COCCCc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587400568 QYMIPRXJQPBWIE-LJQANCHMSA-N 325.408 3.863 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC)(c1cnn(C)c1C)CC2=O 587474678 GKPHAFPTTGOSQD-IBGZPJMESA-N 328.412 3.657 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccccn1 587589584 VTBVRXFWKAFKAL-PKOBYXMFSA-N 347.370 3.750 0 1 EHAF C=Cn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587762376 YEEFVFTUYYFUPX-BJOHPYRUSA-N 336.208 3.509 0 1 EHAF CCC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812132 IIRRFOKAFHXTJM-RFAUZJTJSA-N 328.225 3.707 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CCSC2)N1 587858668 STXMFEIUCHKDNC-CLAHSXSESA-N 328.250 3.837 0 1 EHAF COc1cccc(-c2cc(O)cc(-c3nc4cc(N)c(N)cc4[nH]3)c2)c1 587933789 VIFIWMYQRJGFEF-UHFFFAOYSA-N 346.390 3.776 0 1 EHAF O=C(CCc1ccccc1)c1nc2ncc(Br)cc2[nH]1 587953394 JXAXDCOOQMXJHB-UHFFFAOYSA-N 330.185 3.536 0 1 EHAF COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)c2ccsc2CCN1C(N)=O 962693700 AUHPYRBQBKNVCE-BUXKBTBVSA-N 342.464 3.639 0 1 EHAF Cc1cc(Cl)c2c(c1)[C@@]1(CCCO2)NCCc2ccc(O)cc21 963341602 NBMHBCAPBVHZQQ-IBGZPJMESA-N 329.827 3.916 0 1 EHAF COc1cc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(C)=O)ccc1O 1857749724 DDBOVZJFZPFQFA-MRXNPFEDSA-N 344.798 3.752 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H]4[C@@H](C[C@H]21)[C@@]4(C)[C@@H]3O 2356581296 RDPBMMCACGFEDD-PMLZZOKWSA-N 332.484 3.789 0 1 EHAF CC(C)OP(=O)(OC(C)C)[C@@H](C)NC(=O)Cc1ccccc1 3078599 GMHPDMRUFOZERK-AWEZNQCLSA-N 327.361 3.734 0 3 EHAF CCN1CCC[C@H]1CNc1[nH]cnc2c3cc(Cl)ccc3nc1-2 6498794 TZCZVSAUNQBVFA-LBPRGKRZSA-N 329.835 3.612 0 1 EHAF O=C(O)C[C@H](c1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O 33997754 CRZVCCHNDGGIAO-GOSISDBHSA-N 345.354 3.652 0 1 EHAF Cc1ccc(C(C)C)c(O[C@@H](c2ccccn2)[C@@H]2CNCCO2)c1 40949667 WBUMYVRFZVRYPV-PMACEKPBSA-N 326.440 3.622 0 1 EHAF O=C(CCc1ccc2cc(O)ccc2c1)Nc1ccccc1C(=O)O 42888059 HADIJBYYRMCRPA-UHFFFAOYSA-N 335.359 3.815 0 1 EHAF O=C(Nc1cnccn1)Nc1ccnc2cc(C(F)(F)F)ccc12 43195059 UWQBVYXTLXNIOO-UHFFFAOYSA-N 333.273 3.688 0 1 EHAF Cc1cccc(C/N=c2\[nH]c3cnc(-c4cccc(O)c4)cc3n2C)c1 82078422 BDIIEDQCYUREHI-UHFFFAOYSA-N 344.418 3.683 0 1 EHAF O=c1nc(-c2ccccc2O)cc(-c2ccc(Br)cc2)[nH]1 103221268 YIFJFUMLEZYFOV-UHFFFAOYSA-N 343.180 3.572 0 1 EHAF Cc1noc(C)c1Cn1cc(NC(=O)c2ccc3occc3c2)cn1 115731567 DKQJWAXUBOQZNH-UHFFFAOYSA-N 336.351 3.535 0 1 EHAF Cc1ccc(/C=C2\CNC[C@H]3C2=NC(=O)N[C@H]3c2ccc(C)cc2)cc1 169730002 LMFKZPIECIZZIM-INQFTJRBSA-N 345.446 3.812 0 1 EHAF CCn1cc(-c2cc3c(-c4cc(C5CC5)ccn4)n[nH]c3cn2)cn1 205241912 BDVVVKKOYBBKGI-UHFFFAOYSA-N 330.395 3.781 0 1 EHAF Clc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)s1 207175090 IRDIWCWGLWQNKK-UHFFFAOYSA-N 347.875 3.694 0 1 EHAF Cc1c(C2CCNCC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989981 SYPPLMKFDVBIDI-UHFFFAOYSA-N 344.414 3.927 0 1 EHAF Cc1nn(-c2cccc(-c3nc4c(N)ccnc4[nH]3)c2)c(C)c1Cl 587065394 PUVJVHFUBGULIC-UHFFFAOYSA-N 338.802 3.663 0 1 EHAF Cc1cncc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587166844 BVZKQDFVLCZKKG-OAHLLOKOSA-N 339.374 3.774 0 1 EHAF COc1ccc(NC(C)(C)c2nc3ccc(C(=O)O)cc3[nH]2)cc1 587201605 UJGMZMWTADCZER-UHFFFAOYSA-N 325.368 3.617 0 1 EHAF COc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1F 587234081 WMGSLMOZCIHCAU-CMPLNLGQSA-N 349.406 3.871 0 1 EHAF CCc1ccccc1NC(=O)c1nc2ncc(Br)cc2[nH]1 587240324 CDOFJDPEEXPXOS-UHFFFAOYSA-N 345.200 3.535 0 1 EHAF C[C@]1(c2cnc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346397 MGRVDPOWGPGTKS-PKOBYXMFSA-N 338.338 3.529 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-n1ccnc1)O2 587389002 CUKJQADQADZZKQ-FQEVSTJZSA-N 333.391 3.644 0 1 EHAF COc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@@H](C)C2 587407920 FQGHBRLYLZNCTG-WLRWDXFRSA-N 339.391 3.616 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc([C@@H](C)N(C)C)c1)[C@@H](C2)C3=O 587427646 DSAIJBSGXPBEJO-LGZJRCCHSA-N 337.419 3.807 0 1 EHAF C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587215 MVXSQJRKCNQBSP-PXNSSMCTSA-N 333.343 3.664 0 1 EHAF Cc1ncsc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616909 HFEYNPKSPMFJLY-YOEHRIQHSA-N 339.372 3.860 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncs2)N1 587852113 DDQVPKNYYIRDDT-FUXBKTLASA-N 327.222 3.668 0 1 EHAF CC1(C)CCC[C@]12N[C@@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962708842 KYAVXWSFFFJWGD-CZUORRHYSA-N 345.336 3.849 0 1 EHAF CCCC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963610373 OXTUVRDFHCUTLO-RNODOKPDSA-N 331.456 3.603 0 1 EHAF C[C@H](O)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356708217 GPIKMRAKYWCVGO-RUHDLREUSA-N 334.500 3.566 0 1 EHAF CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)c1ccc2c(ccn2C)c1 2356762234 IXJQBERGWKZQMS-QUCCMNQESA-N 339.483 3.515 0 1 EHAF COc1cc2c(cc1O)C=CN1Cc3c(ccc(OC)c3OC)C=C21 2356815885 CWLKKQXFALQBPU-UHFFFAOYSA-N 337.375 3.716 0 1 EHAF Cc1n[nH]c(C)c1Nc1nc(-c2ccccc2)c(CC(=O)O)s1 6721532 UZQCWHOXIWGIDJ-UHFFFAOYSA-N 328.397 3.521 0 1 EHAF Cc1ccc(NC(=O)CCCCC[C@@H](C)NCCc2c[nH]cn2)cc1 13891820 LEIPNUMRCVGRIS-QGZVFWFLSA-N 342.487 3.828 0 1 EHAF O=C1O/C(=C/I)C[C@H]1C/C=C/c1ccccc1 26991293 SUZCFPZGAKSWDK-RGPJVUEYSA-N 340.160 3.929 0 1 EHAF Cc1c([C@@H](C)c2c(F)cccc2F)nc(N2CCC[C@H](C)C2)[nH]c1=O 28866751 BYCKKLNCIFUEKA-RYUDHWBXSA-N 347.409 3.745 0 1 EHAF O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)OCc1ccccc12 34807219 HQZJVHRNLPZSAT-UHFFFAOYSA-N 332.403 3.830 0 1 EHAF CC[C@H]1CCCCN1C(=O)CCc1nnc(-c2cc(C)oc2C)o1 39388085 CTXAQDVRUXMBTN-AWEZNQCLSA-N 331.416 3.670 0 1 EHAF Nc1nccc(-c2ccc3c(-c4cccc(F)c4)cnc(N)c3c2)n1 45195845 OSUXIWMOTRMIMD-UHFFFAOYSA-N 331.354 3.662 0 1 EHAF C/C=C(\C)CN1CCC2(CCC(=O)N2OCc2ccccc2F)CC1 72120669 DTHSOOYZBMOQTO-HQYXKAPLSA-N 346.446 3.681 0 1 EHAF Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N5CCOCC5)(C4)C2)C3)cc1 100482483 CJVRMJIOBJQEAV-HTAFUYNTSA-N 339.479 3.692 0 1 EHAF O=C1N(c2ccnc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1 144076159 BKDZEIPQCCUPML-UHFFFAOYSA-N 348.328 3.819 0 1 EHAF O[C@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2ccc(F)cc12 169334870 NFZIIYKIKHDGMG-IAQYHMDHSA-N 342.336 3.958 0 1 EHAF O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccccc1 169350867 IMCRYSZUOYUCEL-LEWJYISDSA-N 347.462 3.999 0 1 EHAF Cc1cc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)c2ncccc2c1 169701150 YXZOCRINYIXPNU-SFHVURJKSA-N 346.434 3.933 0 1 EHAF C[C@]12CC[C@H](O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O 169727179 YBLBQJOVMZSVSV-ZUZCIYMTSA-N 325.286 3.988 0 1 EHAF C[C@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(C(=O)O)c4)c23)C1 210720443 WAKBGPGJEVOMFS-LBPRGKRZSA-N 336.395 3.559 0 1 EHAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CC3)c2cn1)c1ccc(F)cc1 261153736 PKZZGJLMTVPYLF-SNVBAGLBSA-N 339.374 3.857 0 1 EHAF N=C(N)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052493 CHMSCOWMMIJRAT-UHFFFAOYSA-N 335.798 3.958 0 1 EHAF Oc1ncnc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587065413 ZHZYQXBINKAWST-UHFFFAOYSA-N 342.742 3.551 0 1 EHAF COC(=O)c1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cn1 587087515 KNXIURQEOIUUGO-UHFFFAOYSA-N 326.743 3.546 0 1 EHAF C[C@]1(c2nc3cncc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587158569 XQXYYLDHWWICPH-MRXNPFEDSA-N 330.750 3.542 0 1 EHAF O=C(CCc1nc2cncc(Br)c2[nH]1)c1ccc(F)cc1 587161796 DMYDFUDPIJIXRW-UHFFFAOYSA-N 348.175 3.675 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N)N1 587749389 PCTNHRQEVANPIM-ABKXIKBNSA-N 335.220 3.794 0 1 EHAF Cc1cnccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587773131 IEGKDVPVXQUAJR-QLJPJBMISA-N 335.220 3.915 0 1 EHAF COc1cc(-c2ccccc2)c(OC)n1-c1cc(O)cc(C(=O)O)c1 587926788 OBFRSLQYRLMXHM-UHFFFAOYSA-N 339.347 3.565 0 1 EHAF COc1cccc2cc3c(nc12)[C@@H](c1cccc(O)c1Cl)NCC3 963059255 PZCSBTZJCWJFSQ-LJQANCHMSA-N 340.810 3.838 0 1 EHAF CCCCn1nc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1C 963609518 NMHCZOORHDWMTN-RBZFPXEDSA-N 343.471 3.632 0 1 EHAF O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ncco1 1772590834 WYQSOSKRGKZWFS-UHFFFAOYSA-N 337.404 3.674 0 1 EHAF C[C@H](CC(=O)NCc1ccc2nc(O)[nH]c2c1)c1ccccc1Cl 1857581650 MBGKKCWLQNYDSA-LLVKDONJSA-N 343.814 3.732 0 1 EHAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356533471 GWBOIJCRVSAUMR-DMEIWPGESA-N 333.516 3.532 0 1 EHAF O=C1c2ccccc2[C@@H](Nc2ccc3c(c2)OCO3)N1Cc1ccco1 4914497 PUGNHXAHVMTKMA-IBGZPJMESA-N 348.358 3.775 0 3 EHAF COCCN1C(=O)COCc2cc(-c3cccc(C(C)C)c3)ccc21 74375360 NFDUBESQJOOGIM-UHFFFAOYSA-N 339.435 3.987 0 3 EHAF CC(C)(C)OC(=O)N1CC[C@H]2CCN(CCc3ccccc3)C[C@@H]21 199267570 ZXPAKNNNSOJNPO-MSOLQXFVSA-N 330.472 3.560 0 3 EHAF CC1=C(C(=O)N[C@H]2CCCc3ccccc32)C2(CCCCC2)OC1=O 6772385 ZJPCWPNARMFCHG-KRWDZBQOSA-N 339.435 3.756 0 1 EHAF CC1(C)C=Cc2c(c3c(c4c(=O)cc(CO)oc24)OC(C)(C)C=C3)O1 13404271 ILXXEDSHNXVPIP-UHFFFAOYSA-N 340.375 3.654 0 1 EHAF biogenic CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13511170 GQPPNIVSLNMMHD-TVWVXWENSA-N 332.484 3.630 0 1 EHAF biogenic Cc1cc2[nH]c(-c3ccc(-n4ccnc4)cc3)nc2cc1-n1ccnc1 13651269 NQDKIBHMHUMTHH-UHFFFAOYSA-N 340.390 3.910 0 1 EHAF COc1oc(=O)c2cc(NC(=O)Cc3ccccc3)ccc2c1Cl 40466748 WPCNROPPNATTMX-UHFFFAOYSA-N 343.766 3.636 0 1 EHAF CC[C@@H](Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccccc1 42922021 CXSOCHXAVCIAHJ-YLJYHZDGSA-N 338.451 3.629 0 1 EHAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccoc4)cc3)[nH]c2c1 64527453 NMXNGDRZMHTXDQ-UHFFFAOYSA-N 338.388 3.893 0 1 EHAF Cc1c([C@@H](C)OC(=O)Nc2ccccc2)oc2nc(C3CC3)nn12 66258369 NRUKXBVEHWTHOE-LLVKDONJSA-N 326.356 3.818 0 1 EHAF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)O2)cc1 72180871 PWSJIWZIGAEWLK-QGZVFWFLSA-N 330.771 3.588 0 1 EHAF Oc1ccc([C@@H]2CCc3c(O)cc(O)c([C@@H]4CCCCN4)c3O2)cc1 72318260 RKFNUYHGDIDANI-YJBOKZPZSA-N 341.407 3.684 0 1 EHAF COc1c(O)cc2cc1Oc1ccc(cc1)CCCOC(=O)CC2 84605155 JUDVCCHACKPVDB-UHFFFAOYSA-N 328.364 3.615 0 1 EHAF Cc1ccc(-c2c(C)nn3c(NC4CCN(C)CC4)cc(C)nc23)cc1 95563992 LAPSVSLUXXJXON-UHFFFAOYSA-N 349.482 3.828 0 1 EHAF CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(F)c2)C1 95593015 NBNHGRRWKSPRMB-UHFFFAOYSA-N 339.410 3.701 0 1 EHAF COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@H]2CC=C[C@H]21 104691681 KKBJCVBSAUGNEH-PLAOUPQYSA-N 328.383 3.912 0 1 EHAF Cc1cc(-c2c[nH]c3ncnc(N4CCC[C@H](C)C4)c23)cnc1F 210713760 GJCDCQIHBGSBQM-NSHDSACASA-N 325.391 3.704 0 1 EHAF CCC[C@@H]1C[C@H]2[C@@H](CC(=O)OC)[C@H](Cc3ccccc3)C[C@H]1N2C 253646361 NYHLSJFRSGAHTE-OBKDMQGPSA-N 329.484 3.917 0 1 EHAF COc1cccc(C[n+]2ccc(/C=C3/C(=O)Nc4ccccc43)cc2)c1 299833001 MYBIHSVFIFBFIZ-UHFFFAOYSA-O 343.406 3.524 0 1 EHAF C[C@@H](c1nc2cc(F)cc(Br)c2[nH]1)n1cc(Cl)cn1 587079424 JVZKLWOMIALFKP-LURJTMIESA-N 343.587 3.924 0 1 EHAF Cc1ccn(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 587105291 XCBGRVBAXYWHBG-UHFFFAOYSA-N 325.371 3.999 0 1 EHAF Fc1ccc(-c2nc3ncc(Cl)cc3[nH]2)nc1Br 587154961 HDTZHXPCOLHXPH-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF N[C@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@@H]1c1ccccc1F 587156027 KWYKNCSHNJHWJB-ANRSDYALSA-N 337.185 3.745 0 1 EHAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccnc(Br)c2[nH]1 587195071 FRYJUPDHLODLBS-SNVBAGLBSA-N 345.244 3.938 0 1 EHAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)ncc2[nH]1 587195441 KIRVZRWIKXYPOF-SNVBAGLBSA-N 345.244 3.938 0 1 EHAF CC(C)[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)N(C)C 587199127 WESZLSJKPPNFMF-LBPRGKRZSA-N 332.192 3.862 0 1 EHAF C[C@]1(CCCCO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348574 DGHJNQJPMHUHCI-AZUAARDMSA-N 344.382 3.812 0 1 EHAF CCC[C@]1(c2cn(CC)nc2C)CC(=O)c2cc(C)cc(N)c2O1 587392043 VOSLCJNUYFQJAU-LJQANCHMSA-N 327.428 3.763 0 1 EHAF CCOc1ccc(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587401699 WQJNAQAHDUZJHM-FQEVSTJZSA-N 325.408 3.943 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(O)c(C=O)c1)CC2=O 587490866 SJIPVVQTDYONRG-SFHVURJKSA-N 340.375 3.878 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc([S@](C)=O)cc1)CC2=O 587492181 NLGIEEHMJWGZNH-KOSHJBKYSA-N 344.432 3.789 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(CN(C)C)s1)CC2=O 587494889 MIFNYCDXCYAWHU-MRXNPFEDSA-N 346.452 3.569 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)O)cs1)CC2=O 587495359 QHIAAEQCGUPUQT-SFHVURJKSA-N 346.404 3.985 0 1 EHAF O=C1C[C@H](c2cn(-c3ccccc3)nn2)Oc2c1ccc1c2CCCC1 587517797 VKJCCNYHKSKWMW-HXUWFJFHSA-N 345.402 3.853 0 1 EHAF O=C(c1cccnc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587638022 IGEXDRGEIXCEGA-UHFFFAOYSA-N 334.253 3.511 0 1 EHAF Cc1nc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)co1 587776314 WMPCWHFUGNNVHR-GLEZIHRCSA-N 339.208 3.682 0 1 EHAF COc1ccc(-c2cccc(-c3nc4cc(N)c(N)cc4[nH]3)c2)cc1O 587787899 ZDWILRPZRKCVFI-UHFFFAOYSA-N 346.390 3.776 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC(=O)C2)N1 587818068 PHODYBGPWZAGFH-HWPZZCPQSA-N 340.236 3.851 0 1 EHAF CCC1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)COC1 587831922 AKNDCXMEHQTUNA-ZUZCIYMTSA-N 342.252 3.764 0 1 EHAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1 587967347 NPCWHDBPBACAPZ-IQJOONFLSA-N 347.212 3.792 0 1 EHAF C[C@@H](O)[C@@H](NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccccc1 1857570141 FVCOQLYUVRKGOP-KZULUSFZSA-N 342.826 3.684 0 1 EHAF C[C@@H](NC(=O)CSc1nc(O)c2ccccc2n1)C1CCCCC1 1857751056 NGBDGYOVFPAATF-GFCCVEGCSA-N 345.468 3.513 0 1 EHAF C[C@@H]1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=COC(=O)C1 2356414708 OKDWSVYZQIQRLH-SYOYXXOUSA-N 336.472 3.562 0 1 EHAF CO[C@@]12CC[C@H](O)[C@@](C)(CC[C@@H]3C(=CC=CC(C)C)COC(=O)[C@@H]31)C2 2356559380 IKHSDIHGAKFQFO-MTFRMWQMSA-N 348.483 3.644 0 1 EHAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNCc1ccc(OC(F)(F)F)cc1 2356844465 NVHZDUYRDNEKQQ-JYJNAYRXSA-N 342.405 3.795 0 1 EHAF COc1ccc2c(c1)C=C[C@@]1(O2)N(CCO)c2ccccc2C1(C)C 2215075 WCLXPBHKDKKIGY-NRFANRHFSA-N 337.419 3.587 0 3 EHAF CCCNC(=O)[C@@]1(C)CCN(Cc2ccc(OC)c3ccccc23)C1 61898187 WFHODTZSJHSAMJ-NRFANRHFSA-N 340.467 3.587 0 3 EHAF CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccncc3)nc21 3832231 JMCKXGDSYVEIDE-UHFFFAOYSA-N 343.390 3.617 0 1 EHAF COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1c(C)cc(C)cc1C2=O 5539703 UXAZKBHZGZZGML-WIYYLYMNSA-N 348.402 3.817 0 1 EHAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@@H](c1ccccc1)O3 13982263 VICXCCIJNUZKDG-SFHVURJKSA-N 349.434 3.719 0 1 EHAF NS(=O)(=O)c1ccc(-c2sccc2-c2ccc(F)cc2)cc1 26257350 ZLHDOXPADGPKBN-UHFFFAOYSA-N 333.409 3.869 0 1 EHAF CNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(C)c1ccccc1 36184661 SQGYSFDZVYSROA-SFHVURJKSA-N 329.350 3.629 0 1 EHAF CC(C)C1(CCCc2cc(=O)oc3nc(C(F)F)nc(O)c23)CC1 66076597 ZMVJDVWBFCCFRQ-UHFFFAOYSA-N 338.354 3.985 0 1 EHAF COc1cc2oc(C)cc(=O)c2c(OCc2ccccc2)c1OC 66100664 HMSWMMPSKLQDAO-UHFFFAOYSA-N 326.348 3.698 0 1 EHAF COc1ccc(-c2cc3c(ccc4c5c([nH]c43)CNC5=O)cn2)cc1 72108938 OXLLUQHZXBFXCC-UHFFFAOYSA-N 329.359 3.635 0 1 EHAF COCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2F)n1 82176100 IBJHSSCEYUZTJR-UHFFFAOYSA-N 342.374 3.613 0 1 EHAF CC[C@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2ccc(F)cc2)n1 82216478 CHTNVLGHYOZNNZ-LBPRGKRZSA-N 330.407 3.585 0 1 EHAF Cc1cc(N)n2nc(SCc3ccc(Cl)c(Cl)c3)nc2n1 95576898 LLBSOWOAHICADG-UHFFFAOYSA-N 340.239 3.614 0 1 EHAF CCC(=O)NC[C@H]1CCc2c(OC)cccc2N1Cc1ccccc1 473115903 VLPGTHUDTCBGRU-QGZVFWFLSA-N 338.451 3.543 0 1 EHAF in-vitro CC(C)(SCC(=O)O)c1nc2ccc(Br)c(F)c2[nH]1 586960143 STGJDJIJGLFYKI-UHFFFAOYSA-N 347.209 3.517 0 1 EHAF Fc1cnc(Cl)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc12 587091623 MPFQPYGVMCUPCD-UHFFFAOYSA-N 346.671 3.754 0 1 EHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cccc(C(C)(C)C)c2[nH]1 587094904 WANAEWSYJOHLTA-SECBINFHSA-N 327.350 3.990 0 1 EHAF COC(=O)c1ccnc2[nH]c([C@@H](C)c3ccccc3C(F)(F)F)nc12 587097878 LJOITHUMSKMURD-VIFPVBQESA-N 349.312 3.915 0 1 EHAF Nc1cccc(O)c1-c1nc2cc(Cl)cc(Br)c2[nH]1 587249224 FNEMWZRRJOBCCK-UHFFFAOYSA-N 338.592 3.934 0 1 EHAF COC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346222 IEIJKTUSVNRMAK-ICSRJNTNSA-N 342.366 3.685 0 1 EHAF CCC[C@@]1(c2cn(CC)nc2C)CC(=O)c2cc(C)cc(N)c2O1 587392031 VOSLCJNUYFQJAU-IBGZPJMESA-N 327.428 3.763 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCCO2)CC(=O)c2cc(C)cc(N)c2O1 587413586 SAENBHUEOKNPGX-HXUWFJFHSA-N 339.391 3.619 0 1 EHAF CCCCc1nc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)[nH]1 587422444 UJSZLDXBBGYCQR-PIGZYNQJSA-N 346.814 3.903 0 1 EHAF CCC[C@@H](C)CN1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437514 JEAIWKUIVFMULV-RHSMWYFYSA-N 343.467 3.713 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CN)(c1ccc(Cl)cc1)CC2=O 587462961 RXAQXNNINJFNRY-LJQANCHMSA-N 345.826 3.818 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnc3ccc(F)cn13)CC2=O 587471633 LRKPPKRYWKTLSG-KRWDZBQOSA-N 340.354 3.838 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC(OC)OC)(C(C)C)CC2=O 587478832 HHTAAGHIXMWKPF-LJQANCHMSA-N 336.428 3.714 0 1 EHAF CC(=O)Nc1cnccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508837 CBOVPCPXHNESKD-IBGZPJMESA-N 336.391 3.625 0 1 EHAF Cc1ccc2c(c1C)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587525587 OAEREJMQYAUZKG-JOCHJYFZSA-N 347.414 3.995 0 1 EHAF O=C1c2ccccc2C[C@]12c1ccsc1CCN2Cc1cccnc1 962994688 LIPIPENVNZGBJA-NRFANRHFSA-N 346.455 3.836 0 1 EHAF CCOc1cc(=O)n(CCCO)c2c1C[C@@H](CC=C(C)C)C(C)(C)C2 1857601967 ACANKMWQYGJOGF-MRXNPFEDSA-N 347.499 3.727 0 1 EHAF CCc1ccccc1-c1ccc(N[C@H]2CC[C@H](O)CC2)c(C(N)=O)c1 1857635506 PFMIOCSWRAGUPN-QAQDUYKDSA-N 338.451 3.730 0 1 EHAF COc1cc(C2=CCc3c2ccc(OC)c3OC)cc(OC)c1OC 1857639857 MENAQHCTHCNADG-UHFFFAOYSA-N 342.391 3.717 0 1 EHAF CN1CCN(c2ncnc3ccc(-c4ccccc4Cl)cc23)CC1 4265207 DFUOIOAZYNYRHR-UHFFFAOYSA-N 338.842 3.702 0 1 EHAF Cc1[nH]c([C@H]2CC(=O)N(CC(C)C)C2)nc1-c1ccc(F)c(F)c1 20909536 GIMHPUZUKKAFMK-ZDUSSCGKSA-N 333.382 3.635 0 1 EHAF Oc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 26667024 RKZRSIDXFGRAGY-ONFYXGJMSA-N 325.452 3.622 0 1 EHAF COc1c(-c2ccc(O)cc2)oc2cc(Br)ccc2c1=O 27854693 COYCKBCGRLLZOK-UHFFFAOYSA-N 347.164 3.937 0 1 EHAF COc1ccccc1C1=C(CCNC(C)=O)c2c(ccc3c2CCO3)C1 71319034 DRPPDGLAVDHCKT-UHFFFAOYSA-N 349.430 3.623 0 1 EHAF COc1ccc(OC)c(-c2cc(NCc3ccccc3F)ncn2)c1 82161241 UUSBYPSUOOYBKJ-UHFFFAOYSA-N 339.370 3.912 0 1 EHAF C[C@H](C(=O)O)c1c(F)cc(C[C@@H]2CCCC2=O)cc1Br 84725137 YTWMTGXABKKVSP-WPRPVWTQSA-N 343.192 3.688 0 1 EHAF COc1cc(-c2cccc(C(=N)N)c2)cc(-c2cccc(C(=N)N)c2)c1 96908127 XHRWCVFWDYOEDW-UHFFFAOYSA-N 344.418 3.597 0 1 EHAF NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 101363711 ZKZMTIDHRGLEJP-RUYXUALKSA-N 342.483 3.740 0 1 EHAF Cn1cc(-c2cccs2)nc1/C=C/c1nc2c(F)cccn2n1 117850970 JDKKEFOSGDWNGM-VOTSOKGWSA-N 325.372 3.501 0 1 EHAF C[C@H](Nc1nccc(N2C(=O)O[C@@H](C)C2(C)C)n1)c1ccccc1 142095756 NCEFBFCHUPRVHY-STQMWFEESA-N 326.400 3.773 0 1 EHAF CC[C@@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C(C)C)cc2)CC1 143354929 NVOAQTGFDHEACZ-OAHLLOKOSA-N 345.487 3.969 0 1 EHAF CCc1nn(-c2ccccc2)c2cc(N3CC[C@]4(CCNC4)C3)ccc12 147350373 TVZXCWHIALPSLA-QFIPXVFZSA-N 346.478 3.778 0 1 EHAF CCCNC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166388086 MWDDESQRGUJPRF-UHFFFAOYSA-N 341.386 3.513 0 1 EHAF CCCCC[C@@H]1/C=C/[C@@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 169366049 UTLCNJREJFJDLH-BWEMOPLBSA-N 336.472 3.523 0 1 EHAF COC(=O)C/C=C\[C@H](C)[C@H](Cc1ccccc1Br)OC 195461456 OEXFZJIMWVCZMM-KYXSFKEXSA-N 341.245 3.762 0 1 EHAF Cc1ccsc1[C@@]1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21 219520520 BFKSNQNYUJHXQX-GOSISDBHSA-N 340.404 3.516 0 1 EHAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@H]3CC[C@]12C 253712442 VQISOTOPDCGBAH-CAIBBVBQSA-N 349.515 3.924 0 1 EHAF Cc1n[nH]c(C)c1C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 261161616 QYQKTZYHTRNKFJ-CALCHBBNSA-N 341.455 3.642 0 1 EHAF COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OCC(C)C 299867550 QGLLTTRVVYBMNF-UHFFFAOYSA-N 346.427 3.771 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cncc(Cl)c2[nH]1 586918326 WPBYPCIDTIBIKS-SGTLLEGYSA-N 341.798 3.828 0 1 EHAF Cc1c([C@H]2CCOC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992872 ZIOWVIRVRUXBNR-LBPRGKRZSA-N 331.371 3.964 0 1 EHAF O=C(O)c1cccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587021646 NFCLKGGGOWUNQX-UHFFFAOYSA-N 335.388 3.975 0 1 EHAF C[C@@H]1CCc2sc(-c3nc4cc(S(C)(=O)=O)ccc4[nH]3)cc2C1 587032951 DDVLPHBHUWRFBX-SNVBAGLBSA-N 346.477 3.820 0 1 EHAF Cc1cncc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587115948 GRSCATQXKYGXGJ-UHFFFAOYSA-N 329.285 3.895 0 1 EHAF COc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Cl 587118072 NINYHLNZHBJMRK-UHFFFAOYSA-N 330.697 3.644 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@H]3CCC[C@@H](C)C3)CC1)O2 587392588 BZOUFARKCQMUTJ-ZBFHGGJFSA-N 342.483 3.956 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O)cc1Cl)[C@@H](C2)C3=O 587420272 HLTIFOPWAALVSX-VOJFVSQTSA-N 346.766 3.552 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(N)cccc1F)CC2=O 587465589 ITIHGFUBIYHHLL-LJQANCHMSA-N 329.371 3.947 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(O)c1N)CC2=O 587468911 FFUDQGLIHFVZPE-IBGZPJMESA-N 327.380 3.513 0 1 EHAF CCOC(=O)C1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587524442 ONKCPOABOHRPKK-IBGZPJMESA-N 328.408 3.633 0 1 EHAF COc1ccc(C=O)cc1-c1nc2ccc(Br)c(O)c2[nH]1 587787873 SBEOCKYPGLEUEW-UHFFFAOYSA-N 347.168 3.519 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOCC2)N1 587833006 DKTAQMJGJKWRQB-ZUZCIYMTSA-N 328.225 3.518 0 1 EHAF CN1CC[C@H](C(=O)c2cncc(-c3cccc(Cl)c3Cl)c2)C1=O 653729603 RAYKMXUHLVKGNF-CYBMUJFWSA-N 349.217 3.716 0 1 EHAF COc1ccc2c(c1OC)[C@@H](c1c[nH]c3ccncc13)N(C)[C@H](C)C2 962645603 ZZVWGYAPIITLMM-CWTRNNRKSA-N 337.423 3.546 0 1 EHAF O=C(O)C[C@H](c1cccc(-c2ccnc(F)c2)c1)c1nccs1 1772620928 JLJHDEJYLJFFOC-CQSZACIVSA-N 328.368 3.951 0 1 EHAF CCCCCCOc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1C 1857539140 QHWCCEJWBSIQAP-UHFFFAOYSA-N 332.396 3.996 0 1 EHAF CCOc1cccc2c(=O)c3c(oc12)CCN(Cc1ccccc1)C3 1857769081 KUGALMXCRGARKJ-UHFFFAOYSA-N 335.403 3.750 0 1 EHAF C=CC(C)=CCCC(C)=Cc1cc(C(=O)N2CCN(C)CC2)co1 2356353414 NODIOENRLLUOBK-UHFFFAOYSA-N 328.456 3.983 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC(C)=CCCC(C)=C[C@@H]2O[C@H](O)[C@@H](C)[C@@H]21 2356416425 STIMKRWEFJAFHV-VBRUWADQSA-N 334.456 3.910 0 1 EHAF CC(C)C[C@H](N)c1csc(NC(=O)NCCc2ccccc2)n1 61903541 BHPGCFJFBVNLBS-AWEZNQCLSA-N 332.473 3.553 0 3 EHAF COc1ccc(-c2nc(C(N)=O)sc2-c2ccc(OC)cc2)cc1 13735838 DNFFPKAUGCPVSV-UHFFFAOYSA-N 340.404 3.593 0 1 EHAF COc1cccc([C@@H]2c3c(C)n[nH]c3N=C3CC(C)(C)CC(=O)[C@H]32)c1 18165998 YCICWUAORVRKBE-MSOLQXFVSA-N 337.423 3.950 0 1 EHAF CC(=O)N1c2ccccc2S[C@H]1c1ccccc1OCCN(C)C 28009632 KOCCNSGAKAWKGZ-IBGZPJMESA-N 342.464 3.784 0 1 EHAF O=C(NCCCc1ccccc1)c1ccc(C(=O)C(F)(F)F)cc1 28880541 FZPFUAKVUZGNKB-UHFFFAOYSA-N 335.325 3.794 0 1 EHAF COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2F)cc1 45202798 SVZZSMCZIHEIRF-PXAZEXFGSA-N 337.822 3.742 0 1 EHAF Cn1cc(C(=O)C(=O)Nc2cccc3c(O)cccc23)c2ccccc21 45245288 FPXAWFPISRBEDH-UHFFFAOYSA-N 344.370 3.859 0 1 EHAF COc1ccc(-c2nnc(SCc3ccc(Cl)nc3)o2)c(O)c1 64447033 ABJDIBYQJRRITI-UHFFFAOYSA-N 349.799 3.792 0 1 EHAF NCCNc1nccc2c3ccccc3n(Cc3ccc(F)cc3)c12 64448069 ONPWBEOJAANHAM-UHFFFAOYSA-N 334.398 3.748 0 1 EHAF Cc1nc(-c2ccccc2)nc(Nc2ccc(C(=O)O)cc2)c1C=O 71294799 SQTABMXXXBEDLP-UHFFFAOYSA-N 333.347 3.706 0 1 EHAF COc1cc(N2CCNCC2)c2ncc(C)c(Oc3ccccc3)c2c1 90527590 PDWQFWQBPUYXNG-UHFFFAOYSA-N 349.434 3.754 0 1 EHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccs1 100032280 WZFJRUZYGPZGFO-XERWBJCMSA-N 335.425 3.949 0 1 EHAF CCCCC[C@@H]1/C=C\[C@@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 100759304 BJXHXZDHQUYRMA-NTWIGSLLSA-N 334.456 3.731 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3cc(O)ccc3CC[C@@H]21 117625279 DQDGTZBSHYYYNX-JXFKEZNVSA-N 347.418 3.603 0 1 EHAF CC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118921409 SSHZGKZSPWBEMO-NWOHQDCASA-N 332.484 3.918 0 1 EHAF O=C1Nc2ncccc2/C1=C/c1c[nH]c2ccc(Br)cc12 299838711 QVYOZLAOQXEHJG-MLPAPPSSSA-N 340.180 3.818 0 1 EHAF CC[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586889000 KJRPDDLLDPUHSB-TVQRCGJNSA-N 332.347 3.760 0 1 EHAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Cl)ncc2[nH]1 587108156 IGWFZAWNPQQLLL-UHFFFAOYSA-N 341.676 3.995 0 1 EHAF FC(F)(F)c1cc(-c2nc3cnccc3[nH]2)c(Br)cn1 587116496 ZNOKZBDMGBXNQA-UHFFFAOYSA-N 343.106 3.801 0 1 EHAF FC(F)Oc1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 587131075 WGWIXRNOHKDLLY-UHFFFAOYSA-N 340.127 3.989 0 1 EHAF Nc1ccc2oc(-c3nc4ccc(Br)nc4[nH]3)cc2c1 587252236 UEUHMXCRQCZRTJ-UHFFFAOYSA-N 329.157 3.716 0 1 EHAF COc1cncc(N)c1-c1nc2c(C)c(C)c(Br)cc2[nH]1 587252309 CABUQAHHNCGOBO-UHFFFAOYSA-N 347.216 3.595 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]3O[C@H]32)[C@@H]1c1ccc(F)cc1 587360344 VBJITWCPJXIPCZ-JQERWDHBSA-N 340.350 3.580 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(C)cc(=O)oc3c1)O2 587409789 UEPJMXPEXARPJO-KRWDZBQOSA-N 335.359 3.699 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)[nH]n1)[C@@H](C2)C3=O 587438889 IVUSZABNXNZYGQ-XOBRGWDASA-N 332.359 3.574 0 1 EHAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 587590103 XSDPRNZFNOPBNG-RXVVDRJESA-N 347.370 3.973 0 1 EHAF C[C@@H](O)CCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608520 LFCXEMCWEGDWKP-SKDZVZGDSA-N 342.391 3.664 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCSC2)N1 587857992 NRRNRBJIZNOYAD-LKFCYVNXSA-N 330.266 3.845 0 1 EHAF Fc1ccc2c(c1)-c1cc(n(C(=S)NCCc3ccccc3)n1)O2 587877053 YFBJXCJJSHOYLK-UHFFFAOYSA-N 339.395 3.760 0 1 EHAF CN(C)[C@H]1CCC[C@]2(C1)c1ccsc1CCN2Cc1cccn1C 962371713 HKIBKQIVPIAOHM-JXFKEZNVSA-N 343.540 3.844 0 1 EHAF CC(=O)Nc1ccc2c(-c3cc(Cl)ccc3O)ccnc2c1O 1857558730 UGLKLVITVKAGBN-UHFFFAOYSA-N 328.755 3.925 0 1 EHAF Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3F)sc2n1 70454763 GRHMMJHPAWJJGH-UHFFFAOYSA-N 347.390 3.704 0 3 EHAF Cc1sc2nc3n(c(=O)c2c1C)N=CN(c1ccc(Cl)cc1)C3 1651336 ZXUSYWDZRFLLTR-UHFFFAOYSA-N 344.827 3.540 0 1 EHAF CCCCCCC1=NOC[C@@]1(C)C(=O)NCCOc1ccccc1 4216026 YDVMNSMJOFIITO-LJQANCHMSA-N 332.444 3.545 0 1 EHAF CN1C[C@H]2C[C@@H]1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 13456291 GVNGZGPVJXWAOP-NSISKUIASA-N 335.447 3.628 0 1 EHAF CCCCc1nc2[nH]cnc2c2nc(-c3cccc(Cl)c3)nn12 13475514 YGQXYWAAJBCJOW-UHFFFAOYSA-N 326.791 3.664 0 1 EHAF O=C1NC(=O)c2c1c(-c1cccc(F)c1)cc1[nH]c3ccc(O)cc3c21 34804140 WCXSUUBUPSYIRD-UHFFFAOYSA-N 346.317 3.716 0 1 EHAF CCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1 82224558 CSFYUOUBKHFVST-UHFFFAOYSA-N 340.471 3.766 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1cccc(-c3cccn3C)c1)O2 84616950 HYHKAAKSUZBYDJ-FPAYPSAMSA-N 325.408 3.516 0 1 EHAF O=C(Nc1cccc(Br)c1)n1sc2ccccc2c1=O 96271389 YRCMPJJOSBHNSM-UHFFFAOYSA-N 349.209 3.906 0 1 EHAF COC(=O)C/C=C\[C@@H](C)[C@@H](OC)c1ccccc1Br 103853308 WPCOPGOEBYZGMO-AYRZLVNKSA-N 327.218 3.892 0 1 EHAF CCc1nc(Nc2ccc(CO)cc2)nc(-c2cccc(Cl)c2)n1 142771701 WBFIKIWRZNWWTE-UHFFFAOYSA-N 340.814 3.990 0 1 EHAF COC(=O)[C@@H]1C[C@H]2CC[C@H]([C@H]1c1ccccc1)N2Cc1ccccc1 169335579 YPWXCLJIHSHWFD-NCYKPQTJSA-N 335.447 3.996 0 1 EHAF Cc1c([C@H](C)NC(=O)Nc2cccc(Cl)c2)sc2ncnn12 230565198 SHBJNLXDZKMPOX-QMMMGPOBSA-N 335.820 3.635 0 1 EHAF COc1ccc2c(c1)CC[C@H](NCCCc1ccccc1)C[C@@H]2O 299840285 UVSBTRVDVBPUOS-RXVVDRJESA-N 325.452 3.656 0 1 EHAF CC(=O)c1ccc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2c1 586880632 AGCLIPSHIBMWOM-UHFFFAOYSA-N 334.375 3.694 0 1 EHAF COC(=O)[C@@H](C)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586991965 LQQMKAKYBCZDKZ-NSHDSACASA-N 347.370 3.737 0 1 EHAF Fc1cnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 587016708 ATBBGUPLPKBWGX-UHFFFAOYSA-N 331.763 3.936 0 1 EHAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cnc(Cl)[nH]c-2n1 587068884 FHWPKGWNIVZVJB-MRVPVSSYSA-N 335.194 3.988 0 1 EHAF Cc1ccc2c3c(cc(C4(C(=O)O)CC4)nc13)-c1ccccc1C2=O 587101373 MPYLXOIFOFQLJK-UHFFFAOYSA-N 329.355 3.871 0 1 EHAF Cc1cc(Br)c2nc(-c3cccnc3N(C)C)[nH]c2c1 587195173 CHMZMMGRJLUQLW-UHFFFAOYSA-N 331.217 3.762 0 1 EHAF COc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cn1 587197766 NFUAFYQEBVTICN-CQSZACIVSA-N 334.420 3.531 0 1 EHAF Nc1ccc(C(=O)CCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587252099 WAHDVMRNCWVADR-UHFFFAOYSA-N 335.741 3.892 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccnn1-c1ccccc1)O2 587390729 IEWVPEYNNAYZSI-HXUWFJFHSA-N 333.391 3.644 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccnc(-c4ccccc4)n1)[C@@H](C2)C3=O 587436090 LOUQSKVHBSTVQG-MGPUTAFESA-N 344.370 3.641 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCCC4)cc1)[C@@H](C2)C3=O 587443801 MBZRXKOMAHDVTN-AVRDEDQJSA-N 349.430 3.958 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CCC)(CC(=O)OCC)CC2=O 587476892 BKHSUDGPMXERTA-IBGZPJMESA-N 334.412 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccsc1C(=O)O)CC2=O 587496359 WMWHBRIWBZAINX-GOSISDBHSA-N 346.404 3.985 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1[nH]ccc12 587587455 GRBBVZXCBIWLFK-GHTZIAJQSA-N 347.370 3.914 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1O 587607290 HNNZBXSFGWBFDU-PXNSSMCTSA-N 334.327 3.801 0 1 EHAF COc1ccc(C)cc1C(=O)CCc1nc2ccnc(Cl)c2[nH]1 587787623 OZRYNYRKLOQNKU-UHFFFAOYSA-N 329.787 3.744 0 1 EHAF Cc1ncsc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587851780 CMAKDYIUFJTKFT-CPFSXVBKSA-N 341.249 3.977 0 1 EHAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 587931553 KFVKKNBGZBDXPP-WLRWDXFRSA-N 334.379 3.599 0 1 EHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(F)c(F)c4[nH]1)(C3)C2 587949791 CAGWGJSRWWPHSE-ORMMXULVSA-N 346.377 3.995 0 1 EHAF COc1ccc([C@H]2c3ccsc3CCN2Cc2cccn2C)cn1 962396952 IEUJZBIJKAHKIG-IBGZPJMESA-N 339.464 3.638 0 1 EHAF COc1cccc2c3c(cnc12)CCNC31CCC(OC(C)C)CC1 963056865 NHTCDEKTIAJFTF-UHFFFAOYSA-N 340.467 3.952 0 1 EHAF CC(C)(C)N1C[C@@H]2C[C@H](C1)C21c2c(F)cccc2C[C@H]2CCCN21 963095121 CIIAFDRJKCLZEQ-IJIRQLBGSA-N 328.475 3.792 0 1 EHAF O=C([C@@H]1CC=CCC1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 13593870 PWFPHPMHLNBOTR-QGZVFWFLSA-N 347.886 3.840 0 3 EHAF NCc1c(N)nc(-c2ccccc2)nc1-c1cccc(C(F)(F)F)c1 14948326 GKIKUZLNVVHWNQ-UHFFFAOYSA-N 344.340 3.870 0 1 EHAF CC(C)(O)c1cc2c(cc1O)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1CC2 15045547 HEIKHXMGSYQVGA-FFZOFVMBSA-N 332.440 3.715 0 1 EHAF biogenic COP(=O)(OC)O[C@H](c1ccc(C)cc1)P(=O)(OC)OC 29224631 UBSYYKGVBVQMCX-LBPRGKRZSA-N 338.233 3.897 0 1 EHAF CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@]1(C)Oc2ccccc2C1=O 40951749 UOANXIRYYUJTRQ-IZHDJUTGSA-N 348.402 3.744 0 1 EHAF CN(CCCn1c(=O)oc2ccccc21)Cc1ccccc1Cl 43022889 OJIIARMDYGJHTL-UHFFFAOYSA-N 330.815 3.770 0 1 EHAF CC[C@H](C)/C(=C/c1coc2nc(N)nc(N)c12)c1ccccc1OC 45388038 GGNUJBNONVTLHE-HOXUKUGESA-N 338.411 3.983 0 1 EHAF COc1cc([C@@H](C)C(=O)NCCCc2ccc(C)c(C)c2)ccc1O 84687864 IEUGVHZUTZSNDR-MRXNPFEDSA-N 341.451 3.870 0 1 EHAF COc1cc(/C=C/c2cc(-c3ccc(O)c(OC)c3)[nH]n2)ccc1O 96915992 UZZQRMKZEWWBQZ-ZZXKWVIFSA-N 338.363 3.676 0 1 EHAF O=c1cc(-c2cccc(-c3ccco3)c2)sc(N2CCOCC2)c1 101077407 CTBUPBMMJSXILT-UHFFFAOYSA-N 339.416 3.872 0 1 EHAF O=C(O)CC[C@@H]1CCCc2[nH]c(/C=C3\C(=O)Nc4ccccc43)cc21 101087140 YJTRJTNNIPXFJB-IEMQHYRPSA-N 336.391 3.792 0 1 EHAF Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccccc4)c3=O)nc2c1C 169325520 MWMRPTYZFQYMLY-UHFFFAOYSA-N 332.407 3.558 0 1 EHAF CCOC(=O)c1c2c(c(C)n1Cc1ccccc1)-c1oncc1CC2 200026218 OVCPHAPGIYHSLS-UHFFFAOYSA-N 336.391 3.775 0 1 EHAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Cl)cc(C)c3[nH]2)c1 586922709 RLMZJYVYKQUKPK-UHFFFAOYSA-N 348.855 3.909 0 1 EHAF Fc1cnc(Cl)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc12 587075784 KKXMIHPESORLGR-UHFFFAOYSA-N 349.156 3.652 0 1 EHAF COc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1F 587095758 UFYDHJZRGXADBT-UHFFFAOYSA-N 325.265 3.979 0 1 EHAF Cc1cncc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587224312 RHXMIYKBZDRHNS-IBGZPJMESA-N 342.402 3.786 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccc(F)c(F)c1)O2 587386928 XWVDGSFTXDXZIH-SFHVURJKSA-N 333.334 3.658 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cnn(C)c3)c1)O2 587392957 YGSKLQJGMFSWQN-IBGZPJMESA-N 333.391 3.684 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c4cccnc14)[C@@H](C2)C3=O 587427672 KJRWXLUBXJXMNI-VBKZILBWSA-N 335.334 3.871 0 1 EHAF O=C1C[C@@H](c2ccnc3nccnc23)Oc2c1ccc1c2CCCC1 587527790 UVGQIKRFPASSQZ-KRWDZBQOSA-N 331.375 3.610 0 1 EHAF Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)o1 587589504 XGLVOYRAJQOPLM-DNVCBOLYSA-N 337.331 3.700 0 1 EHAF CC(C)OC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591810 FBZDJTGAVXNQMT-LPHOPBHVSA-N 328.364 3.538 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC1(CSC1)C2 587616090 BAOBXGMNPYTBPY-HNNXBMFYSA-N 340.400 3.620 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1CCC(=O)OC(C)(C)C 587871997 SCDYJTMWZYQQKD-UHFFFAOYSA-N 334.391 3.820 0 1 EHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(Cl)ncnc2[nH]1 587926909 MCTKNZPUDHQXOW-SNVBAGLBSA-N 332.791 3.565 0 1 EHAF CCCCNc1nc(N)nc2ccn(Cc3ccc4ccccc4n3)c12 1772583976 YQOWCCQSJOJVFU-UHFFFAOYSA-N 346.438 3.822 0 1 EHAF O=C(/C=C/c1ccc(F)cc1)Nc1ccc(CC2=CC(=O)OC2)cc1 1772617319 IWFLICIKSLXIPG-BJMVGYQFSA-N 337.350 3.503 0 1 EHAF C[C@H](Cc1ccc(OCc2ccccc2Cl)cc1)N(C)CC(=O)O 1857767768 MYURCPBAQSPNDN-CQSZACIVSA-N 347.842 3.866 0 1 EHAF COc1cc2ncnc(Nc3cc(O)c(C)cc3F)c2cc1OC 6952 XHXOJKOXEKXDSQ-UHFFFAOYSA-N 329.331 3.544 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1C=C(C)CC[C@]2(O)[C@@H](C(C)C)C(=O)C[C@]12C 13484679 LHKYRISHBMMAIZ-XUDYDAPFSA-N 334.456 3.587 0 1 EHAF Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@@H](CCC[C@@]1(C)O)C2=O 15058457 CUWBJCBYZZKRQZ-MNXTYGCHSA-N 334.412 3.582 0 1 EHAF biogenic O=C(O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 16035065 LBCNHUJFDVBZDB-QWHCGFSZSA-N 338.338 3.747 0 1 EHAF O=C1CC[C@]2(c3ccccc3)O[C@H](COc3ccc(Cl)cc3)CN12 27521468 XBUGBIHKLWFNKI-PKOBYXMFSA-N 343.810 3.593 0 1 EHAF CC(C)N(CC[C@](C(N)=O)(c1ccccn1)C1CCCCC1)C(C)C 27522791 JMSPIFQRQPTDSR-OAQYLSRUSA-N 345.531 3.894 0 1 EHAF CCCCOC(=O)/C=C/c1ccccc1N1C(=O)c2ccccc2C1=O 28862665 FPHYANOYRIDCEL-OUKQBFOZSA-N 349.386 3.844 0 1 EHAF CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCO 29054891 ATJPHZBEVQRHGY-UHFFFAOYSA-N 343.427 3.856 0 1 EHAF COC(=O)C[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccc1 95557062 BKYBNVFVCQSBEZ-LJQANCHMSA-N 334.419 3.830 0 1 EHAF COc1ccc2c(=O)c(/C=C/C(=O)Nc3cccc(C)c3)coc2c1 95591216 ZHZKMZRFQRZGCJ-RMKNXTFCSA-N 335.359 3.762 0 1 EHAF Cc1ccc(Cn2cc(CSC(=S)N3CCCCC3)nn2)cc1 96285729 UPYCTPFBMSZUQQ-UHFFFAOYSA-N 346.525 3.639 0 1 EHAF C/N=c1\c(NC(=O)c2ccc(Cl)cc2)c(O)oc2ccccc12 103532195 KWDQGKBARPHYGY-RGEXLXHISA-N 328.755 3.575 0 1 EHAF CCC(=O)Nc1ccc(SC[C@H]2CCCN3CCCC[C@H]23)nc1 504083220 LNSUGMJFFQEZJQ-GDBMZVCRSA-N 333.501 3.787 0 1 EHAF biogenic O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)C2 586883583 CIEJZNADLDAIOD-GUBZILKMSA-N 332.306 3.523 0 1 EHAF N[C@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F 587155096 HUBWSKBNMSHZJI-ANRSDYALSA-N 337.185 3.745 0 1 EHAF Cc1cc(Cl)cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c12 587223772 GAGGXYAWWSZUNH-GFCCVEGCSA-N 343.814 3.608 0 1 EHAF COc1cc2c(c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@H](C)C2 587411360 INEGOSCSOCYWLY-ADLMAVQZSA-N 339.391 3.616 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)cc1OC)[C@@H](C2)C3=O 587422359 YTGUXPXRFFZLNS-UGSOOPFHSA-N 330.767 3.846 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCCF)cc1)[C@@H](C2)C3=O 587424849 WJKPFECJYKNYJH-JXFKEZNVSA-N 342.366 3.922 0 1 EHAF CCO[C@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCC2 587444088 SCPFKQZHCIPTGH-PTSWNOGYSA-N 328.408 3.551 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)nc(C)n1)CC2=O 587463048 VIPMCTYEPOVVRF-OAHLLOKOSA-N 332.787 3.803 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@H]1COC3(CCCCC3)O1)CC2=O 587487301 NNTPRELPXTVONC-ZWKOTPCHSA-N 346.423 3.754 0 1 EHAF CCc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587525708 PCUJWWDUYIZUAE-QFIPXVFZSA-N 347.414 3.941 0 1 EHAF Cc1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 587661367 YBFGQCRWTBOJMH-UHFFFAOYSA-N 331.350 3.895 0 1 EHAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(F)c(Br)c2[nH]1 587963777 SWPQVGCIJRJRQE-HTQZYQBOSA-N 325.181 3.622 0 1 EHAF N[C@H]1CC2(CC2)CC[C@]12c1ccsc1CCN2Cc1cccnc1 962998683 PDEAFPLYHCTSHU-ICSRJNTNSA-N 339.508 3.688 0 1 EHAF CCOc1ccc([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963609226 MWTKCCJKIOQLKG-XCLFUZPHSA-N 327.424 3.726 0 1 EHAF COc1cc(-c2nc(N[C@H](C)c3ccccc3)nnc2C)ccc1O 1772592815 YBEANIYCDNMSRT-GFCCVEGCSA-N 336.395 3.734 0 1 EHAF Cn1ncc2c(C(=O)NCc3cccc(C(F)(F)F)c3)cccc21 1857576430 LZFDKWQFCBLFIX-UHFFFAOYSA-N 333.313 3.522 0 1 EHAF CC=CC=CC=C[C@@H]1Cc2c(C)c(COC(C)=O)cc(O)c2C(=O)O1 2356456465 FMZSLXMOPCTSME-MRXNPFEDSA-N 342.391 3.534 0 1 EHAF O=C(O)CCCCCCCCCc1ccc(S(=O)(=O)O)cc1 2356862901 VCKAUONIDRWIGP-UHFFFAOYSA-N 328.430 3.681 0 1 EHAF O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc([C@@H]2CCCN2)s1 23367503 XAPHNGWOCFJKGJ-ZDUSSCGKSA-N 338.436 3.815 0 1 EHAF CN(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O 28711876 AFBXWHUCEIWHAS-UHFFFAOYSA-N 329.343 3.768 0 1 EHAF CCOC(=O)c1c(OC2[C@@H](C)CCC[C@@H]2C)c(CC)c(C)[nH]c1=O 40430651 JIOAMVWNTKYBKR-RYUDHWBXSA-N 335.444 3.626 0 1 EHAF Cc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)cn1 45348156 ZVUJPFSWEVYLFO-UHFFFAOYSA-N 330.819 3.808 0 1 EHAF Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1Nc1ccc2c(c1)CCC2 82203631 GOPZFLQSVGWUJG-GJZGRUSLSA-N 338.455 3.631 0 1 EHAF O=C(O)Cc1cn(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc12 95584942 JLMRALWEBVVSBY-UHFFFAOYSA-N 331.730 3.749 0 1 EHAF Cc1ccc(C(=O)CSc2n[nH]c3c4ccccc4nc-3n2)cc1 103877182 PFDDEEBMSWQXHL-UHFFFAOYSA-N 334.404 3.741 0 1 EHAF O=C(Nc1ccncc1F)c1ccc2nc(N3CCCC3)sc2c1 169303919 BEADYABTQOMWPO-UHFFFAOYSA-N 342.399 3.683 0 1 EHAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 586886350 FKIVRYGNBMVCHN-QFYYESIMSA-N 328.343 3.546 0 1 EHAF COC(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2n1 587131526 MDVFIZARGOANRT-UHFFFAOYSA-N 343.333 3.626 0 1 EHAF C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587351140 GDZBDGFWCXMEEP-CZYCVGMRSA-N 340.350 3.628 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1OC(F)(F)O3)O2 587380964 DLBGJMPTAUDPKJ-AWEZNQCLSA-N 333.290 3.605 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1[C@H]1CCCN1C)O2 587392501 ANZPHSDSOLZXMC-VPWXQRGCSA-N 328.456 3.566 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(SCC(C)C)nc1)O2 587409988 OYAVVRMXETXPKC-MRXNPFEDSA-N 343.452 3.822 0 1 EHAF COc1ccc(C[C@H](C)[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440644 CCJQASOYKPWOND-LKNMKHRSSA-N 338.403 3.699 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccco4)n1)[C@@H](C2)C3=O 587452217 RKEADLIBFRGBDG-APPDUMDISA-N 339.372 3.900 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccnn1CC(C)C)CC2=O 587480827 WJXDRAJTTWYPBM-GOSISDBHSA-N 328.412 3.904 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1OCO3)CC2=O 587483204 DZOZWBGKWNYJFF-KRWDZBQOSA-N 326.348 3.780 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C=O)c1O)CC2=O 587489794 PCRZIOUZNCZULH-QGZVFWFLSA-N 326.348 3.569 0 1 EHAF O=C1C[C@]2(CCCC3(C2)OCCO3)Oc2c1ccc1c2CCCC1 587535801 NZZLRIKYLYPXLK-IBGZPJMESA-N 328.408 3.587 0 1 EHAF Cc1ccc([C@@H]2C[C@@H]2C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652342 PJBSIUWGXLXOLW-RDJZCZTQSA-N 338.794 3.802 0 1 EHAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 587930882 QGUPVMYIPOKBEE-HWPZZCPQSA-N 348.328 3.777 0 1 EHAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Cl)c(Cl)nc4[nH]1)(C3)C2 587970124 ZCTPTCIMIJLJCJ-BTBJQWHKSA-N 336.222 3.912 0 1 EHAF CN(C)[C@H]1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)CC1 1772597549 RURAFMHXRRFIKR-JOCQHMNTSA-N 338.377 3.933 0 1 EHAF Fc1ccccc1Nc1nc2nonc2nc1NC1CCCCC1 1857541028 VIVAZBVYLDVPBT-UHFFFAOYSA-N 328.351 3.640 0 1 EHAF COc1ccc2c(c1)CC[C@H](C(=O)c1ccc(OC)cc1OC)C2 1857602903 XAYRCUVJDOKEFS-HNNXBMFYSA-N 326.392 3.700 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@]2(O)C1 2356448628 JUOMBKQDQFIYNU-KQEPKPNTSA-N 332.440 3.732 0 1 EHAF O=C(O)[C@H]1Cc2ccccc2C=C1C1=Cc2ccccc2C[C@H]1C(=O)O 2356538369 BXDCWQGAILMPMH-BGYRXZFFSA-N 346.382 3.667 0 1 EHAF COc1c(O)c(C=CCc2ccccc2)c(OC)c(OC)c1OC 2356553622 IHWNGWBUZVFFLB-UHFFFAOYSA-N 330.380 3.683 0 1 EHAF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3C[C@@H]1CC2 2356774144 RGWVMBFXIVOTSJ-SWLSCSKDSA-N 340.419 3.863 0 1 EHAF COc1ccc2c(c1)c(CC(=O)O)cn2C(=O)c1ccc(Cl)cc1 4298622 DHEMTWWLRLOBKI-UHFFFAOYSA-N 343.766 3.619 0 1 EHAF in-vitro CCc1cc(N(C)Cc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C 5887124 KCJMNLOXSMBDDR-UHFFFAOYSA-N 325.412 3.640 0 1 EHAF CCN(CC)CC[C@H]1COC(c2ccccc2)(c2ccccc2)C1=O 26724571 WEXCAOVXRGYBPP-SFHVURJKSA-N 337.463 3.878 0 1 EHAF Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC=O)nc2n1 27328443 WCXLUZKOPUBZFM-UHFFFAOYSA-N 333.178 3.875 0 1 EHAF C[C@H](CO)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3N 29048830 GAFMGGSEJIQKLK-AWWNEQDRSA-N 349.559 3.572 0 1 EHAF CC(=O)O[C@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)NCC[C@@]4(C)[C@@H]3CC[C@]12C 29412535 NRBYKRJQRQZVLV-JEOUVKQFSA-N 347.499 3.687 0 1 EHAF O=C(O)C[C@@H](c1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O 33997755 CRZVCCHNDGGIAO-SFHVURJKSA-N 345.354 3.652 0 1 EHAF Cc1cc2cc(N3C[C@@]4(CN5CCC4CC5)OC3=O)ccc2s1 34279887 NUEUHJHIZWQZDV-GOSISDBHSA-N 328.437 3.631 0 1 EHAF COc1ccc(Nc2nc(-c3cccc(N)c3)cn3ccnc23)cc1 64548352 CZCFVUASEDHTAW-UHFFFAOYSA-N 331.379 3.731 0 1 EHAF C[C@H]1CCN(C)CCN1C(=O)[C@@H](Cc1ccccc1)c1ccccc1 95553588 KXJXNZBOUCKKFY-RXVVDRJESA-N 336.479 3.566 0 1 EHAF Cc1nc2ccccn2c1-c1ccnc(SCC(=O)C(C)(C)C)n1 101172650 PQKPFLRGRQVWEB-UHFFFAOYSA-N 340.452 3.807 0 1 EHAF CO/C(O)=C1/C(C)=Nc2nc(SC)nc(O)c2[C@H]1c1ccccc1 103948066 FXUBRGMSIMCAGE-IEMQHYRPSA-N 343.408 3.558 0 1 EHAF COc1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)c1 116991356 PBJZBHKLXZKPND-UHFFFAOYSA-N 345.402 3.787 0 1 EHAF Cc1nc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2c1C 223418729 RJKZNJBGSQNFNP-UHFFFAOYSA-N 345.402 3.681 0 1 EHAF COc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Cl 586924026 FEPXOVVFGMESQM-FPLPWBNLSA-N 348.811 3.670 0 1 EHAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(C(N)=O)cc2[nH]1 587012492 RSCQIXRMNMNBNC-UHFFFAOYSA-N 348.431 3.685 0 1 EHAF O=C(O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)on1 587105997 JMIJNGUQXSAPMX-UHFFFAOYSA-N 342.310 3.799 0 1 EHAF Cc1cc(F)c2[nH]c(C3(C(=O)OC(C)C)CC(F)(F)C3)nc2c1 587131498 KTUXEMCINLBNCO-UHFFFAOYSA-N 326.318 3.629 0 1 EHAF COc1cncc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587224128 DZCCFIGEKKGROG-AWEZNQCLSA-N 346.431 3.723 0 1 EHAF CCn1ccnc1[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587389051 DXRZJHSZWIAASP-NRFANRHFSA-N 347.418 3.703 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(O)c1Cl)[C@@H](C2)C3=O 587423162 SXAFSOAVSXKJIB-VOJFVSQTSA-N 346.766 3.552 0 1 EHAF CCCC[C@H](O)[C@]1(CCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452467 VAEPNQHRTLXRBF-OXFYSEKESA-N 332.440 3.923 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnn([C@@H](C)OCC)c1)CC2=O 587479086 YGUQZKNXWONHRH-XIKOKIGWSA-N 344.411 3.803 0 1 EHAF Nc1[nH]cnc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N 587628123 ONMRSOYZMGRQAC-UHFFFAOYSA-N 349.238 3.760 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cnccc32)N1 587778394 MTJMLRFTOYIOTE-DYZYQPBXSA-N 347.231 3.707 0 1 EHAF COc1ccc(OC)c(-c2nc3c(C)cnc(Cl)c3[nH]2)c1OC 587794394 MJMWUYHNOZIDBR-UHFFFAOYSA-N 333.775 3.613 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H]2CCOC2)N1 587832837 DEGXZHLSLIRNMB-GDLVEWKHSA-N 342.252 3.764 0 1 EHAF COC(=O)c1ccc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 587929398 ISBCPHLDDONQKX-VLIAUNLRSA-N 336.391 3.803 0 1 EHAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587929881 ATHXOKCHVABRSF-LHSJRXKWSA-N 347.418 3.901 0 1 EHAF Ic1cccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12 587966977 IXMOHPJASUKXJC-IVZWLZJFSA-N 336.176 3.847 0 1 EHAF Cn1ccc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962699981 FDOQTASIVAHPCC-DNVCBOLYSA-N 330.472 3.791 0 1 EHAF COC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)c(OC)c1 1857553850 XFNBABHBTIKBCZ-MRXNPFEDSA-N 340.379 3.621 0 1 EHAF CC(=O)n1cc([C@@H]2C[C@@]23N=C(c2ccccc2)OC3=O)c2ccccc21 1658323 COXOBFSHHBLWJW-LAUBAEHRSA-N 344.370 3.531 0 1 EHAF CC/N=c1\sc2cc(OC(F)(F)F)ccc2n1CCSC 1905544 LKQKUDUUXNRBBZ-ATVHPVEESA-N 336.404 3.885 0 1 EHAF CC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/C(=O)O)[C@H](C)C(=O)[C@H](O)[C@@]12C 13484050 QBTMVLQTZBMTNE-WBJSIRLMSA-N 334.456 3.746 0 1 EHAF COc1cc2c(c3ccoc13)O[C@@H](c1ccc3c(c1)OCO3)CC2=O 14594227 BFDADKFUXPCGHG-OAHLLOKOSA-N 338.315 3.877 0 1 EHAF biogenic CC1(C)Oc2ccc(-c3ccccc3)cc2[C@H](N2CCCC2=O)[C@@H]1O 26821365 FDXYANDWAVDIKS-PMACEKPBSA-N 337.419 3.549 0 1 EHAF CCCCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1CC 28228016 NJOLBYRBGPFATN-UHFFFAOYSA-N 337.423 3.874 0 1 EHAF CC(C)N1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1 29565062 RTGYAXXEAUILHJ-UHFFFAOYSA-N 349.482 3.764 0 1 EHAF NCCNCCCNc1cc(Cl)ccc1Sc1ccccc1 40449687 MZYBNVMQJYXIDG-UHFFFAOYSA-N 335.904 3.842 0 1 EHAF CN(C)C[C@@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21 43130648 BNWCQYXIEXHUHJ-INIZCTEOSA-N 329.465 3.501 0 1 EHAF Nc1nc(Cc2ccc(Cl)cc2)nc(Cc2ccc(Cl)cc2)n1 45301662 PLQFQWTWZUMTMM-UHFFFAOYSA-N 345.233 3.942 0 1 EHAF Nc1nc(N)c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)c2n1 64447609 KJXTYSOGMKZQNG-UHFFFAOYSA-N 335.798 3.905 0 1 EHAF CC(C)n1cnc2c(NCc3ccccc3)cc(OCCO)cc21 66252169 YVNZJFBFCCABDN-UHFFFAOYSA-N 325.412 3.600 0 1 EHAF Cc1nc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)no1 143331770 DKFFXAMVDBTBOY-MRXNPFEDSA-N 332.281 3.824 0 1 EHAF CNCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 150199785 NFPKWIUGEYURJP-UHFFFAOYSA-N 336.416 3.835 0 1 EHAF C[C@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 169306281 HOYGOGLDLPJTHF-HFKLLZPISA-N 339.479 3.676 0 1 EHAF COc1cc2oc(=O)ccc2cc1Oc1ccc2ccc(=O)oc2c1 238780985 GJFYDYXKONYNND-UHFFFAOYSA-N 336.299 3.700 0 1 EHAF Cc1nc(-c2ccccc2)nc(OCCCN2CCCC2)c1Cl 299825079 WAGAMFAABHWQQF-UHFFFAOYSA-N 331.847 3.970 0 1 EHAF O[C@@H]1C[C@@H](OCCCF)CC[C@H]1N1CCC(c2ccccc2)CC1 473107779 KRYVMGGFGDVMQS-XUVXKRRUSA-N 335.463 3.524 0 1 EHAF CCOC(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587016468 LVPWLEQYZJMPEB-CQSZACIVSA-N 343.408 3.715 0 1 EHAF c1sc([C@H]2CCCO2)nc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587016566 NFPGQVADCRDEQP-CYBMUJFWSA-N 343.408 3.699 0 1 EHAF COc1nccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587068226 MMMIYTXPOHFHQB-UHFFFAOYSA-N 325.759 3.677 0 1 EHAF Oc1c(F)cc(F)cc1-c1nc2ccc(Br)cc2[nH]1 587134692 VOIHKGIDJCOKLT-UHFFFAOYSA-N 325.112 3.976 0 1 EHAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc[nH]c(=N)c3[nH]2)c1 587158455 FNSQJPGZIVBTHO-UHFFFAOYSA-N 348.381 3.776 0 1 EHAF COc1cccc(-c2cc(F)cc(-c3nc4cnnc(O)c4[nH]3)c2)c1 587160374 PZTLRUBYIWBCCR-UHFFFAOYSA-N 336.326 3.540 0 1 EHAF CC(=O)[C@H](c1cc2c3c(cccc3n1)CC2)c1ccccc1C(=O)O 587215260 KKKNFRCVQNGBRU-IBGZPJMESA-N 331.371 3.753 0 1 EHAF C[C@@]1(c2cn[nH]c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349278 UHHRYSSKJUKBCP-HKUYNNGSSA-N 338.338 3.529 0 1 EHAF COC(=O)c1cc(Cl)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587377097 GYAUGOKIQRSELU-MRXNPFEDSA-N 345.782 3.724 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H](N=O)[C@H]2CC[C@]1(C)C2(C)C 587386364 INTUQTLNVGUJQD-WTMJQUOKSA-N 328.412 3.872 0 1 EHAF COCCCOc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587397965 CHHFEJOYJPCYPC-LJQANCHMSA-N 341.407 3.699 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(COc1c(C)cccc1C)[C@@H](C2)C3=O 587437783 AFJFCDHNAXDLRI-KKSFZXQISA-N 338.403 3.897 0 1 EHAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)N)CC2=O 587472862 NRMBGWFNLJPDGO-XCLFUZPHSA-N 325.408 3.553 0 1 EHAF CCCCOC(=O)C[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587485374 VVYFUBOOBIVTMB-LJQANCHMSA-N 334.412 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)[C@H](C)C1)CC2=O 587488571 KYRGGVDNZJONDB-UFYHVXEKSA-N 332.396 3.570 0 1 EHAF CCc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)csc1C 587653425 HFLMMKNUAOVIDH-UHFFFAOYSA-N 332.812 3.671 0 1 EHAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sn1 587855085 FKMCNTHFFLCWJJ-NXSYQRQQSA-N 341.249 3.977 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C[C@@H]1CCCO1 587863089 QKOAXWLAQYZXHH-NSHDSACASA-N 326.318 3.757 0 1 EHAF Cc1ccc(NC(=O)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873704 KTSVWVAIEGYVJA-UHFFFAOYSA-N 337.310 3.382 0 1 EHAF Cc1cc2c(cc1F)[C@@](c1ccccc1CO)(C(F)(F)F)NCC2 962087496 FJDWGKHYSOWCDC-KRWDZBQOSA-N 339.332 3.578 0 1 EHAF C[C@@]1(C=C(C(F)(F)F)C(F)(F)F)NCCc2ccc(O)cc21 963339999 DPRVHRKGKLTTON-LBPRGKRZSA-N 325.252 3.804 0 1 EHAF CC[C@@]1(c2ccc(Br)cc2)NCCc2ccc(O)cc21 963340882 JUTIJRQFZOTUPC-KRWDZBQOSA-N 332.241 3.954 0 1 EHAF C[C@H](O)[C@@H](NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccccc1 1857592414 FVCOQLYUVRKGOP-KPZWWZAWSA-N 342.826 3.684 0 1 EHAF CC=C(CO)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3C[C@@H]2C1 2356709722 RMYNXUZHSPSIKZ-NTNQKNOYSA-N 332.440 3.589 0 1 EHAF COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccc(Cl)cc2)cc1 57011010 RETFPVAKHLMRAT-MSOLQXFVSA-N 342.826 3.858 0 3 EHAF COc1ccc2c(c1)c(CCNC(=O)C1CC1)c1n2Cc2ccccc2-1 13494170 RSXSZGMKXCZSIW-UHFFFAOYSA-N 346.430 3.747 0 1 EHAF COc1cc(Cl)cc(OC[C@@H]2CN(Cc3ccccc3)CCO2)c1 13579594 HFMBOAIOLQWSNZ-IBGZPJMESA-N 347.842 3.628 0 1 EHAF Cc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)[C@@H](C)[C@@H]4O)OC(C)(C)C=C3 14681750 AAPFBQWCKBJQGL-UVWXRNBGSA-N 342.391 3.736 0 1 EHAF biogenic COc1cc(F)c(-c2nc3c(C)[nH]n([C@@H](C)C4CC4)c-3n2)cc1OC 23153509 XNCHBNGCFDBDRX-JTQLQIEISA-N 344.390 3.814 0 1 EHAF CCCCc1nc2[nH]ncc2c2nc(-c3ccccc3Cl)nn12 27210618 HBNVBMOILJXZFZ-UHFFFAOYSA-N 326.791 3.664 0 1 EHAF O=C(CCCCCC(=O)Nc1ccccc1O)Nc1ccccc1 29054255 MFNKCODVCNKVKR-UHFFFAOYSA-N 326.396 3.920 0 1 EHAF CC[C@]1(C(=O)N[C@H](C)COc2ccccc2F)[C@@H](C)C1(Cl)Cl 29342265 KIRZWHZCTTVQKO-UEKVPHQBSA-N 348.245 3.929 0 1 EHAF CNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(C)cc12 34845945 KJWNQIIRAFSNII-UHFFFAOYSA-N 333.317 3.643 0 1 EHAF O=C(Nc1ccc(-c2cnco2)cc1)C(=O)c1c[nH]c2ccccc12 45300424 GSJCTUXFKWHGOW-UHFFFAOYSA-N 331.331 3.644 0 1 EHAF O=C(c1cccc(Cl)c1Cl)N(CCC1CC1)[C@H]1CCNC1 49110959 GZAWVIWERRSMCS-LBPRGKRZSA-N 327.255 3.598 0 1 EHAF Cc1cc(-c2cccc(N)c2)c(/C=C2\C(=O)Nc3ccc(N)cc32)[nH]1 71340925 YEXDIWLLKXLQBS-YVLHZVERSA-N 330.391 3.647 0 1 EHAF Cc1sc(-c2cccc(F)c2)nc1CSc1nc(N)cc(N)n1 96283889 UUEHBZHEAXGUBO-UHFFFAOYSA-N 347.444 3.504 0 1 EHAF Clc1ccc2nnnc(Nc3cccc(Br)c3)c2n1 103272016 HNIPKTAAJSBLSI-UHFFFAOYSA-N 336.580 3.579 0 1 EHAF O=C1[C@@H]([C@H](O)c2cccc(Cl)c2)CCCN1Cc1ccccc1 103284589 KVSUHCXJPBQPTQ-QZTJIDSGSA-N 329.827 3.812 0 1 EHAF O=C(Nc1ccc([C@H]2CCCNC2)cc1)Nc1ccc(Cl)cn1 117719530 RRCNBQYNNZHEQJ-ZDUSSCGKSA-N 330.819 3.846 0 1 EHAF CN1C[C@H](c2ccc3c(c2)OCO3)C=C2c3cccc4[nH]cc(c34)C[C@H]21 169317804 HNPVPCGVHRDKDS-DNVCBOLYSA-N 344.414 3.934 0 1 EHAF C=Cc1c(C)c(O)c2cc3c(c(O)c2c1O)C(=O)[C@H](C)C(=O)C3(C)C 169720415 GQQGBIWHZZBXNU-VIFPVBQESA-N 340.375 3.587 0 1 EHAF C[C@@H](NC(=O)[C@H]1COc2ncccc21)c1ccc(Cl)cc1Cl 205624568 GOCMKLPZAAFVSY-RNCFNFMXSA-N 337.206 3.742 0 1 EHAF Cc1cccc(C)c1N1C[C@H](C(=O)Nc2cc(F)cc(F)c2)CC1=O 205761832 YXVIRDPCIFUWLH-CYBMUJFWSA-N 344.361 3.573 0 1 EHAF Cc1nc2cccc(-c3cc4n(c3)C(=O)NC4)c2nc1NC(C)(C)C 223425341 JUICDMKIEODAIP-UHFFFAOYSA-N 335.411 3.688 0 1 EHAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccncn3)c2F)cn1 224547025 JIZRMQUSQLGFHP-UHFFFAOYSA-N 337.358 3.715 0 1 EHAF Cc1cc2[nH]c(-c3cc(Br)cc(C=O)c3)nc2c(C)n1 586983178 WUMBIMJZJYDFMX-UHFFFAOYSA-N 330.185 3.817 0 1 EHAF FC(F)(F)c1ncc2nc(Cc3ccccc3C(F)(F)F)nc-2[nH]1 587105847 AVCUYQQEEGFEBN-UHFFFAOYSA-N 346.234 3.933 0 1 EHAF COC(=O)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587108234 ZZTMMUUFBRUZNA-LBPRGKRZSA-N 343.382 3.724 0 1 EHAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(Cl)ccnc3[nH]2)n1 587116772 AQOLYZWGIDFILF-UHFFFAOYSA-N 341.724 3.752 0 1 EHAF CC[C@H](Oc1ccccc1F)c1nc2c(S)nc(S)nc2[nH]1 587156012 QLIJMEXGSZFCCI-QMMMGPOBSA-N 336.417 3.600 0 1 EHAF CC(C)Oc1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 587157369 TUTXDNHFCAHWCS-AUUYWEPGSA-N 325.387 3.831 0 1 EHAF Clc1ncnc2[nH]c(-c3cccnc3NCc3ccccc3)nc12 587229868 KKTCSXBZIWKRSB-UHFFFAOYSA-N 336.786 3.680 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(C)o1)O2 587378636 WLSWXFBFLSUFHC-AWEZNQCLSA-N 336.185 3.948 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C)n1-c1cccnc1)O2 587389450 IEDRKVWPKRJRSR-IBGZPJMESA-N 333.391 3.778 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)cc1O)CC2=O 587468225 IYVOMMCHTPVKGZ-LJQANCHMSA-N 341.407 3.823 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](CC(=O)O)[C@H]1C)CC2=O 587488469 JGMSMZBIEJFIPI-UYSIFFEZSA-N 332.396 3.570 0 1 EHAF CCOc1ccc(OCC)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 587778016 HHVYYBHFKIUHQK-UHFFFAOYSA-N 326.352 3.726 0 1 EHAF O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)ccc2O)c1F 587943632 LNDZYYPRUJFBBA-UHFFFAOYSA-N 345.301 3.524 0 1 EHAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@]21CCN2CCC[C@H]1C2 962701663 LLWMIEZEWUVWAY-TWOQFEAHSA-N 346.515 3.500 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCNc2c(C)cccc21 963614601 XNXXWKUHTCZCJL-LHSJRXKWSA-N 338.451 3.606 0 1 EHAF C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1 1857651215 WLOCKZOWFWGHHL-UHFFFAOYSA-N 333.391 3.675 0 1 EHAF COc1ccccc1C(=O)[C@@H]1CCCN(Cc2cnc(C)s2)C1 23130543 UISREYDTYDWHDS-CQSZACIVSA-N 330.453 3.555 0 3 EHAF COc1cccc(-c2c[nH]c([C@@H](O)c3cc(F)cc(Cl)c3)n2)c1 61928626 INYUGFMDXCNCJD-INIZCTEOSA-N 332.762 3.960 0 3 EHAF S=c1n(-c2ccc(Br)cc2)c(=S)n2n1CCC2 103190524 CMSFZVSAFKVXCD-UHFFFAOYSA-N 328.260 3.705 0 1 EHAF Cc1cc(C)nc(CN(CCCCN)[C@H]2CCCc3cccnc32)c1 66079684 YFAGKMFPCCCDTH-FQEVSTJZSA-N 338.499 3.712 0 1 EHAF CC1=C[C@H]2C[C@H]3[C@]4(C[C@@H](c5ccoc5)OC4=O)[C@@H](C)CC[C@]13C(=O)O2 103289191 DBKVXSDHPBHJOE-ADNDOWQDSA-N 342.391 3.562 0 1 EHAF biogenic CC/C=C/c1cccc(C(=O)c2c(CC)c(C)[nH]c(=O)c2N(C)C)c1 28368356 QFIWFBLSMCIPDC-CSKARUKUSA-N 338.451 3.966 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C=C(C)[C@]2(O)C[C@@H](C(C)C)CC[C@]2(C)C1=O 2356471648 UNKODKJXJLZFHB-LNKGRISISA-N 334.456 3.587 0 1 EHAF CC(C)[C@]1(O)CC[C@@H]2[C@H](C1)C(=O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]12C 2356601543 ZGBSZOWVGHOHGO-TZCPDMQHSA-N 336.472 3.660 0 1 EHAF C[C@H]1CC[C@@H](C)N1CCN[C@@H]1c2ccccc2OCc2ncccc21 27869951 QHSLZSOMQYGRSK-MRUHUIDDSA-N 337.467 3.526 0 1 EHAF Cc1nccn1[C@H](C)CC(C(N)=O)(c1ccccc1)c1ccccc1 26271359 IAUZDVPQNKBVGO-MRXNPFEDSA-N 333.435 3.614 0 1 EHAF CC(=O)N(c1nc(Cc2ccc(Cl)cc2)no1)C1CCCCC1 66251280 JRWFFFFZVBYDMZ-UHFFFAOYSA-N 333.819 3.999 0 1 EHAF COc1ccc([C@H](O)c2nc(-c3ccccc3OC)cs2)cc1 61898440 WQLAXRPNVBCFBR-KRWDZBQOSA-N 327.405 3.909 0 3 EHAF COc1cc(F)ccc1-c1ccc2c(c1)COCC(=O)N2C(C)C 74375443 RPLBHTUMARQSNZ-UHFFFAOYSA-N 329.371 3.773 0 3 EHAF CCCCCc1cn(CC/C(C)=C/CSCCC(=O)OC)nn1 84652054 ZOXMJPLNWNIUKK-OQLLNIDSSA-N 339.505 3.644 0 1 EHAF CC[C@@H](C)/C(=C/c1coc2nc(N)nc(N)c12)c1ccccc1OC 45388034 GGNUJBNONVTLHE-RLIURORJSA-N 338.411 3.983 0 1 EHAF O=C(N1CC[C@H](c2c[nH]c3ncccc23)C1)C1(c2ccc(F)cc2)CC1 84728132 UHQNJKXPEWRUIP-AWEZNQCLSA-N 349.409 3.750 0 1 EHAF COc1cc(C)c(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587399009 HVBLOBOZEGPQGJ-INIZCTEOSA-N 327.380 3.615 0 1 EHAF Cc1cc(F)c2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c1 587173252 AOJMKGUGGAJADM-GOSISDBHSA-N 328.318 3.778 0 1 EHAF Fc1cc(Br)cnc1-c1nc2cncc(Cl)c2[nH]1 587155723 PIUYYARDAWNOPQ-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF COc1ccc(CCCc2nc3cccc(OC)c3[nH]2)c(OC)c1 587928894 OYQPTEJPMLNQGU-UHFFFAOYSA-N 326.396 3.764 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cccnc2)N1 587778918 OXXPUYDHDLNUMZ-APPDUMDISA-N 349.247 3.975 0 1 EHAF c1cnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc2c1 587017226 JPISUCKTVYOOJU-UHFFFAOYSA-N 344.403 3.795 0 1 EHAF Cc1c(F)ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174825 MMKRBEJFUPSZDD-AWEZNQCLSA-N 326.350 3.873 0 1 EHAF CCCC(=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812806 KTHJFDJFWCKFQT-RFAUZJTJSA-N 328.225 3.707 0 1 EHAF CCc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966355 CDWKFNBPNVVFOT-UHFFFAOYSA-N 337.408 3.863 0 1 EHAF CCc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1CC 586879323 LERVMLGCLLQTOY-UHFFFAOYSA-N 331.217 3.859 0 1 EHAF Cc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587852175 DPRJDCMPSGDLNI-CPFSXVBKSA-N 341.249 3.977 0 1 EHAF Clc1ccccc1OCc1ccc(-c2nc3cnncc3[nH]2)o1 587065132 URQIPLCDMDIWBS-UHFFFAOYSA-N 326.743 3.845 0 1 EHAF Cc1cc(Cl)cc2nc(CCNC(=O)OCc3ccccc3)[nH]c12 587228953 VAYJFAMZOBVFAE-UHFFFAOYSA-N 343.814 3.994 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(C)o1)O2 587378637 WLSWXFBFLSUFHC-CQSZACIVSA-N 336.185 3.948 0 1 EHAF CC(C)(C)C(=O)OC[C@@H]1[C@@H]2CCc3ccccc3[C@@]2(C)CC[C@H]1O 1772647888 CGXIJMQNLFUYEH-LNNXQNCSSA-N 330.468 3.867 0 1 EHAF NC(=O)c1cnn2cc(-c3ccccc3)cc2c1NCc1ccccc1 203817015 JIHXFLMVPFWIQS-UHFFFAOYSA-N 342.402 3.712 0 1 EHAF CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)cn2)CC1 1857608465 YJISKINOWNRRNX-UHFFFAOYSA-N 337.254 3.768 0 1 EHAF CCCCC[C@@H]1C=C[C@@H]2C(=O)C[C@@H](O)[C@@H]2CC=CCCCC(=O)O1 253685835 HZYSFMCHNGCKLZ-ZJPYXAASSA-N 334.456 3.731 0 1 EHAF COc1c(-c2ccc(Cl)cc2)oc2ccc(C(=O)O)cc2c1=O 27077718 BCJDZXZNYWQCOT-UHFFFAOYSA-N 330.723 3.820 0 1 EHAF CCCN1C(=O)CN(C2CCC(C)CC2)C(=O)[C@H]1c1ccc(C)cc1 217232 KYNJJILXPDIHSB-OUNSHVDWSA-N 342.483 3.696 0 1 EHAF CCCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O 13641935 CTLQFYUFHCJUKV-HNNXBMFYSA-N 338.816 3.683 0 1 EHAF COc1cc2c(c(OC)c1OC)[C@H](c1ccc3c(c1)OCO3)CCC2 26497620 VYYOZKBJOCHYIJ-AWEZNQCLSA-N 342.391 3.909 0 1 EHAF CC(=O)N1CCC[C@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26944196 PAPPHBRFOXAGKW-MIDILNBFSA-N 333.516 3.991 0 1 EHAF Cc1csc2nc([C@H](C)NC/C=C/c3ccccc3)oc(=O)c12 27517601 ZRMOLDOGMKLMPK-PPGNKHEKSA-N 326.421 3.922 0 1 EHAF COc1cc(Nc2cccn3cc(C)nc23)ccc1-n1cnc(C)c1 95571588 WTWKCPYLDIPNAK-UHFFFAOYSA-N 333.395 3.889 0 1 EHAF C[C@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 100801465 HOYGOGLDLPJTHF-LBPSXOOBSA-N 339.479 3.676 0 1 EHAF O=C(Nc1ccc([C@H]2CCNC2)cc1)Nc1cccc2cccnc12 117739176 ROZTXNKTKYHSJE-INIZCTEOSA-N 332.407 3.956 0 1 EHAF CC(C)Cc1csc2nc(-c3ccncc3)nc(NC[C@H](C)N)c12 223658744 RQFMCYYVWLIPQX-LBPRGKRZSA-N 341.484 3.711 0 1 EHAF CCOC(=O)Cc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586989419 IGEZJUZNLHTBNV-UHFFFAOYSA-N 347.370 3.566 0 1 EHAF COc1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587043037 XJWCZTZOBICOAO-GDBMZVCRSA-N 325.437 3.518 0 1 EHAF Sc1nc(S)c2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2n1 587085897 MWKHYMFJZDIVQS-UHFFFAOYSA-N 345.840 3.799 0 1 EHAF COc1cc(OC)c2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc2c1 587095805 VTTPMTHEQSIVCJ-UHFFFAOYSA-N 337.301 3.848 0 1 EHAF Cc1ccc2c3c(cc([C@H](C)n4cncn4)nc13)-c1ccccc1C2=O 587098316 SXTFXUUHKZYXCA-ZDUSSCGKSA-N 340.386 3.955 0 1 EHAF Fc1ccc2[nH]cc(Cc3nc4ccc(Br)nc4[nH]3)c2c1 587175649 WTMIRWMVHAUWQL-UHFFFAOYSA-N 345.175 3.932 0 1 EHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(F)c(F)c3[nH]2)cn1 587246531 BVKABIUCCQGRPI-UHFFFAOYSA-N 330.338 3.888 0 1 EHAF CC[C@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354242 PZGTXYJXJLCVED-PKOBYXMFSA-N 344.338 3.514 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccccc3)nn1C)O2 587389377 AJTJEWRAGOSXNZ-IBGZPJMESA-N 333.391 3.684 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C)c(F)c1F)[C@@H](C2)C3=O 587422809 FUZHVSYRCGMQHI-ORAYPTAESA-N 330.330 3.945 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(F)c2)N1 587735381 UGJDXEKLXDZMOU-GLEZIHRCSA-N 339.183 3.746 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)CN(C)C)N1 587739897 HZQWFKVQECWFMC-BMIGLBTASA-N 343.284 3.751 0 1 EHAF CCCOc1cccc(Cc2nc3cc(OC)c(OC)cc3[nH]2)c1 587779029 UBAWIKFZCGGLST-UHFFFAOYSA-N 326.396 3.960 0 1 EHAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)on1 587790382 BQRANTSETRZQRZ-GLEZIHRCSA-N 339.208 3.682 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCOCC2)N1 587832265 BEDRRKIAQYOKKR-QLJPJBMISA-N 342.252 3.764 0 1 EHAF COc1ccc(OC(C)(C)C)n1-c1ccnc(Br)c1 587941349 STASCKJLBGQCPQ-UHFFFAOYSA-N 325.206 3.821 0 1 EHAF Cc1cccc2c(O)nc(-c3ccc(CN4CC(N(C)C)C4)cc3)cc12 653699238 JLOUFGFIGANPBQ-UHFFFAOYSA-N 347.462 3.662 0 1 EHAF CCOc1cc2ncnc(Nc3ccc(C)cc3)c2c2c1OCCO2 653859638 CHBBYOIXEZCTDF-UHFFFAOYSA-N 337.379 3.852 0 1 EHAF O=C(O)C/C=C1\Nc2cc(Cl)ccc2N(Cc2ccccc2)C1=O 957601970 MYNICEZHZLQDDZ-AUWJEWJLSA-N 342.782 3.657 0 1 EHAF Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3nccn3c2)n1 1857558394 WLMJUROXDOGLTR-UHFFFAOYSA-N 339.349 3.833 0 1 EHAF CC(C)=CCc1cc(/C=C/C(=O)O)ccc1OC(=O)c1ccncc1 1857586866 OLWVYKFXHCETPJ-VMPITWQZSA-N 337.375 3.907 0 1 EHAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](CC[C@H](C)C(=O)CC1)[C@H](C)C(=O)O2 2356793288 HDOYVDPCFMGFJE-IMDBMMJGSA-N 336.472 3.811 0 1 EHAF CC1=CN2[CH]C=CC=C2N1CC(=O)c1ccc(Br)cc1 2356829854 CUNUHSKFGDFFDI-UHFFFAOYSA-N 330.205 3.684 0 1 EHAF COc1ccc(-n2cnc3cc(C(=O)NC4CCCC4)ccc32)cc1 223895 CLLJWXOXLHMFBJ-UHFFFAOYSA-N 335.407 3.707 0 3 EHAF COC(=O)/C=C/c1ccccc1N=[S@](C)(=O)c1ccc(C)cc1 1660855 HXCNQNHQQXBSSI-UQNNOOFXSA-N 329.421 3.970 0 1 EHAF O=C(NC1CCN(Cc2c[nH]c3ccccc23)CC1)c1ccccc1 3607347 COHKYVJQKVWPFK-UHFFFAOYSA-N 333.435 3.562 0 1 EHAF NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCCC2 5681465 RGYNSJBZQVIMNL-UHFFFAOYSA-N 328.437 3.758 0 1 EHAF Nc1nc(-c2ccc(C(F)(F)F)cc2)cn2nc(-c3ccco3)nc12 6717182 ZPSBRXHIFFLEKD-UHFFFAOYSA-N 345.284 3.652 0 1 EHAF 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BHJBXAIVUUAOQW-QGZVFWFLSA-N 339.322 3.615 0 1 EHAF CCCN(CC1CC1)c1cc(C(=O)Nc2cccc3[nH]ccc23)ncn1 143967521 DAMSUHHFCYAARN-UHFFFAOYSA-N 349.438 3.837 0 1 EHAF C[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@H](O)CC[C@]54C)[C@@H]2CC[C@@H]13 299848392 OPBWRTJTMOOQDF-QMCXKLIJSA-N 334.500 3.725 0 1 EHAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)ncc3[nH]2)cc1 586891773 VOCXFTKYXDKPFE-BMIGLBTASA-N 346.228 3.866 0 1 EHAF Cc1c(-c2cn[nH]c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990049 UKGHOXHAUBFQNG-UHFFFAOYSA-N 327.343 3.850 0 1 EHAF Clc1ccc(C2=C[C@@H](c3nc4c(Cl)ccnc4[nH]3)ON2)cc1 587077060 RLUHUFCAVIBDAR-LBPRGKRZSA-N 333.178 3.882 0 1 EHAF COC(=O)c1ccc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2n1 587096997 GCVHIKBJEXQWMD-SECBINFHSA-N 349.312 3.915 0 1 EHAF COc1cc2nc(-c3cc(F)c(C)cc3Br)[nH]c2cn1 587137763 KFPVZOGQSMYSRM-UHFFFAOYSA-N 336.164 3.844 0 1 EHAF CCOC(=O)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587174209 OCNPMQWQNFSDIU-MRXNPFEDSA-N 326.327 3.555 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)nc3sccn13)O2 587415828 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FNILEGFYDPTHBA-UHFFFAOYSA-N 337.814 3.822 0 1 EHAF COc1ccccc1[C@H]1N[C@H](c2ccccc2OC)[C@@H](C)C(=O)[C@@H]1C 13139709 NLSCCGAGHJFEOU-NSMLZSOPSA-N 339.435 3.931 0 1 EHAF COc1cc([C@@]2(C)[C@@H]3[C@H](C=C[C@H]2C)CCC[C@H]3C)oc(=O)c1C=O 14711127 VJWRZMQZHDPEMN-WCJXETNOSA-N 330.424 3.977 0 1 EHAF biogenic C[C@@H]1O[C@@](/C=C/C2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O 29206070 HKJDKJAZZLLONW-SUXGJCAPSA-N 329.293 3.907 0 1 EHAF C[C@@H](O)c1ccc(-c2ccc3ncnc(NC[C@@H]4CCCO4)c3c2)o1 66136473 NNECUTCEQUMTAQ-OCCSQVGLSA-N 339.395 3.534 0 1 EHAF CCN(CC)c1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1 71296638 WDYZEJJNNVXBEE-UHFFFAOYSA-N 334.423 3.945 0 1 EHAF Cc1cccc(NC(=O)c2ccc(N3CCc4ccccc4C3)nc2)n1 95586998 DQWQYWWHMKSECE-UHFFFAOYSA-N 344.418 3.600 0 1 EHAF NC(=O)c1cccn2cc(-c3cccc(-c4cccc(F)c4)c3)nc12 96916096 RHMMYGMRSFJMML-UHFFFAOYSA-N 331.350 3.906 0 1 EHAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccccc1 103270556 NBJKYSYCMBMYPD-MRXNPFEDSA-N 325.408 3.958 0 1 EHAF OC1=C2C(=Nc3nnnn3[C@H]2c2ccc(Cl)cc2Cl)CCC1 103627980 MGIHQNUGDBXKGK-ZDUSSCGKSA-N 336.182 3.651 0 1 EHAF CCCn1c(Nc2ccccc2)nc2nc(C3CCCC3)[nH]c2c1=O 117363678 DZMZWDANOIAWHT-UHFFFAOYSA-N 337.427 3.931 0 1 EHAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](O)[C@@]2(C)O)CC(=O)O 238745466 HXWFNTAOIMPSJN-LQOGROGESA-N 340.504 3.842 0 1 EHAF C[C@@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H](C)C(=O)[C@@H](O)C[C@H]12)CC(=O)O 238765037 VIKGNLDIWKTBAU-MJLSJUQGSA-N 338.488 3.906 0 1 EHAF Fc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c(F)c1F 587043548 ZYHRNRGVQVZCMX-STQMWFEESA-N 349.381 3.927 0 1 EHAF COc1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cc1OC 587161736 BUMNSJFPZYFHDX-UHFFFAOYSA-N 328.343 3.535 0 1 EHAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccnc(O)c2[nH]1 587163452 PUXQBNUEPZFXND-UHFFFAOYSA-N 333.322 3.701 0 1 EHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cnc3ccccc3c2[nH]1 587174675 LOYYQQQVKDNVAX-HNNXBMFYSA-N 345.381 3.974 0 1 EHAF Nc1ccc(/C=C\c2nc3ccc(Br)c(O)c3[nH]2)cc1 587251916 RDMLKINOKRRBTC-BAQGIRSFSA-N 330.185 3.784 0 1 EHAF Cc1ccc(-n2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 587391606 NXHXOILRASMSBD-LJQANCHMSA-N 333.391 3.778 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccccc3)n1)CC2=O 587479388 ZCVUZOOFFCCUCF-IBGZPJMESA-N 349.390 3.632 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccns1 587616523 DICSMOAZKLXVMQ-WMLDXEAASA-N 325.345 3.552 0 1 EHAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cc(C)on3)c2c1 587644286 SRQZJWDTCPUHCC-SNVBAGLBSA-N 340.379 3.995 0 1 EHAF CC(C)Oc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652310 OTKPTOBRDCNSGZ-UHFFFAOYSA-N 342.782 3.526 0 1 EHAF Cc1ccc([C@H]2C[C@H]2C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652341 PJBSIUWGXLXOLW-NVXWUHKLSA-N 338.794 3.802 0 1 EHAF Cc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587852780 IWZWMTJBPWQLMZ-JKYUHCHBSA-N 341.249 3.977 0 1 EHAF COc1cc2ccnc(Cc3ccc(OC)c(OC)c3)c2cc1O 2356407013 NEXPZDQERRBPSM-UHFFFAOYSA-N 325.364 3.557 0 1 EHAF O=C(O)CCN1CCC(=C2c3ccccc3COc3ccccc32)CC1 6183 AEDHFDGZXSBAST-UHFFFAOYSA-N 349.430 3.951 0 1 EHAF CCN(CC)c1ncnc2sc(C(=O)N3CCC[C@@H](C)C3)c(C)c12 223811 NYCQCPHEGCNNIW-GFCCVEGCSA-N 346.500 3.718 0 1 EHAF CC(C)CN(CC(C)C)c1nnc(NC(=O)NC2CCCC2)s1 6793028 ISXRUWVIGWFBJW-UHFFFAOYSA-N 339.509 3.721 0 1 EHAF C/C(=N\NC(=S)NC(C)(C)C)c1cc(Cl)cc(Cl)c1O 7861001 LLBBUICOTSFPKH-REZTVBANSA-N 334.272 3.686 0 1 EHAF Cc1ccc2c(c1)-c1onc(C(=O)N3[C@H](C)CCC[C@H]3C)c1CO2 9439941 ZUOMOUSYNRJUBC-CHWSQXEVSA-N 326.396 3.946 0 1 EHAF Cc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)c1 13523667 JZEMGYDWCXCAQQ-UHFFFAOYSA-N 348.450 3.933 0 1 EHAF O=C(O)C(=O)CC(=O)c1cccc(OCc2cccc3ccccc23)c1 13674065 RBEKMOYLMDOXBZ-UHFFFAOYSA-N 348.354 3.645 0 1 EHAF C[C@H]([C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C 13861056 MJVPVUAVZUCLJO-WBMJQRKESA-N 343.298 3.867 0 1 EHAF CC(C)=CCc1cc2c(cc1O)OC[C@@H](c1ccc(O)cc1O)C2=O 14819438 DEWZIAAJECGHQI-INIZCTEOSA-N 340.375 3.671 0 1 EHAF biogenic N[C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1ccccc1 14957379 UMULGPSQNQMYNC-YJJPMGAVSA-N 331.419 3.596 0 1 EHAF CC(=O)N1c2ccccc2S[C@@H]1c1ccccc1OCCN(C)C 28009637 KOCCNSGAKAWKGZ-LJQANCHMSA-N 342.464 3.784 0 1 EHAF CC(C)(C)C(=O)OC[C@H](CO)c1ccc(OCc2ccccc2)cc1 35979139 CIAYTQKJSWSNDK-SFHVURJKSA-N 342.435 3.931 0 1 EHAF COc1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3C)cc1 58603254 PNGKIPRPAXUQMZ-UHFFFAOYSA-N 345.406 3.651 0 1 EHAF Brc1cccc(CNCCNc2nc3ccccc3o2)c1 84635880 JOYWEFSQFFGKHS-UHFFFAOYSA-N 346.228 3.792 0 1 EHAF COc1ccc(C(=O)Cc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1 96929679 DHHOFEQKYOBGMW-UHFFFAOYSA-N 340.375 3.570 0 1 EHAF Cc1cccc2c1nc1n2CCC(O)=C1C(=O)Nc1ccccc1F 100018331 ZORPUEVHWCIKLW-UHFFFAOYSA-N 337.354 3.795 0 1 EHAF COc1cc(C(=O)CCC(=O)c2ccccc2)cc(OC)c1OC 100940051 CAQSRAAOQPQAHM-UHFFFAOYSA-N 328.364 3.558 0 1 EHAF CC(C)[C@@H](C)n1[nH]cc2nc(-c3cccn3-c3nccs3)nc1-2 103584929 IQBZETKAFKSQKH-LLVKDONJSA-N 326.429 3.842 0 1 EHAF O=N[C@H]1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 169722219 OUJRLOZAKDFUPB-CQSZACIVSA-N 331.169 3.803 0 1 EHAF C[C@@H]1CCN(C)CCN1C(=O)[C@H](Cc1ccccc1)c1ccccc1 254093001 KXJXNZBOUCKKFY-WIYYLYMNSA-N 336.479 3.566 0 1 EHAF FC(F)(F)c1cc(Br)c2[nH]c([C@H]3CCOC3)nc2c1 586910972 DUSPNHOKDKBYOC-LURJTMIESA-N 335.123 3.848 0 1 EHAF Oc1ccc(C2(c3nc4cc(F)cc(F)c4[nH]3)CCOCC2)cc1 586913534 PSFBVBWWCGYAHZ-UHFFFAOYSA-N 330.334 3.643 0 1 EHAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C)[C@@H](O)C4)-c1ccccc1C2=O 587100546 COJPLEJUBMIAMG-XIKOKIGWSA-N 329.399 3.850 0 1 EHAF N[C@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(F)cc1F 587149421 GHAWSCSOEAPIBF-ZDUSSCGKSA-N 327.256 3.908 0 1 EHAF NCc1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587245961 IKAAINFOCPQFEK-UHFFFAOYSA-N 342.271 3.738 0 1 EHAF CCC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356792 RWHRCQGATUMYLA-HKUYNNGSSA-N 328.339 3.628 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cn3ccccc3n1)CC2=O 587490106 OMSMAOGGBHSEHY-FQEVSTJZSA-N 336.391 3.873 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnc2)N1 587771721 CMJUGTVXZJEMAG-HWPZZCPQSA-N 335.220 3.781 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccccc32)N1 587816824 DQSJOCIHTDDUKJ-BTDLBPIBSA-N 332.216 3.922 0 1 EHAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(C(F)(F)F)ncc4[nH]1)(C3)C2 587970101 YOAVUQVSKSRMAP-VWJBHBPUSA-N 335.329 3.624 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cnc2c(c1)OCCN2C 963228044 KLFMREYWRUTTGM-QRWLVFNGSA-N 337.467 3.656 0 1 EHAF CC(=O)OC[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 2356542950 CJSXBURXAUDUSP-GVNFVFRUSA-N 348.483 3.502 0 1 EHAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@@H]2C=C[C@H](O)[C@@]21C 2356756457 HRUZZZOEFXPPFR-GIMLQHQASA-N 346.511 3.732 0 1 EHAF O=C1COCc2c(Br)cccc2N1Cc1ccccc1 74375787 RNAHBVJNSTZGPK-UHFFFAOYSA-N 332.197 3.513 0 3 EHAF CCCCSc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1 103693918 OKEOOIFPVKLIDG-UHFFFAOYSA-N 334.832 3.606 0 3 EHAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(Nc5ccccc5)ccc4CCN3C[C@@H]12 199740252 XXUKUCSCZXUDHS-JNHSIYEJSA-N 349.478 3.983 0 3 EHAF O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)c1ccccc1 3976391 FJVQALKRJDSNIH-SFHVURJKSA-N 342.464 3.986 0 1 EHAF C[C@H](Cn1c2c(c3cc(O)ccc31)CCc1ccc(O)cc1-2)N(C)C 5929895 ZLSAVKHKNQLRMA-CYBMUJFWSA-N 336.435 3.768 0 1 EHAF CC(=O)N1CCC[C@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26945092 PAPPHBRFOXAGKW-NTHNXFDUSA-N 333.516 3.991 0 1 EHAF COc1ccc(-c2cnccc2[C@H]2SCC(=O)N2CC(C)C)cc1 28819666 PZEJSLYZZGUHMD-LJQANCHMSA-N 342.464 3.987 0 1 EHAF CCCCC/C=C\C[C@H](O)[C@@H](O)/C=C/[C@H]1C[C@@H]1[C@H]1CCCC(=O)O1 34094036 GUCRVQJMZMFWEY-XPTHDSNDSA-N 336.472 3.523 0 1 EHAF c1ccc(N2CCN([C@@H]3CCc4[nH]c5ccccc5c4C3)CC2)cc1 39214003 NYGMSRICXRZYIQ-GOSISDBHSA-N 331.463 3.847 0 1 EHAF COc1ccc(CN(C)[C@H](C)CCn2c(=O)oc3ccccc32)cc1 43078681 ATYZMFRJGSXKIW-OAHLLOKOSA-N 340.423 3.514 0 1 EHAF C[S@](=O)c1ccc(-c2coc3ccc(-c4nnc(O)o4)cc23)cc1 45284408 VKRCNNWCBJISTL-XMMPIXPASA-N 340.360 3.593 0 1 EHAF O=C1NCc2ccccc2C[C@@]12CCCN(CCCc1ccccc1)C2 71993622 LUYMHDONIAWMHI-HSZRJFAPSA-N 348.490 3.574 0 1 EHAF NC(=S)Nc1ccc(-c2nnc(SCc3ccccc3)o2)cc1 73161400 HHRALRRIPHUDEN-UHFFFAOYSA-N 342.449 3.684 0 1 EHAF CN(c1cncnc1)c1cncc(NC(=O)c2cccc(Cl)c2)c1 96175684 MIYKVJXPSQOUTN-UHFFFAOYSA-N 339.786 3.545 0 1 EHAF CCc1cc2c(s1)Nc1ccccc1C(N1CCN(C)CC1)=N2 101109537 SFEGIFUOOUWWJY-UHFFFAOYSA-N 326.469 3.693 0 1 EHAF O=C(O)c1csc(-n2nc(-c3ccccc3)c3c2CCCC3)n1 103254844 VSKGTIWLCACUGC-UHFFFAOYSA-N 325.393 3.573 0 1 EHAF OCCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144777262 ZSZKCXNKKKHHSO-KRWDZBQOSA-N 338.325 3.617 0 1 EHAF Cc1ccc(C(=O)NN2CCCCC2)nc1-c1cccc(Cl)c1 150114477 WGSSNNWMPCEGIE-UHFFFAOYSA-N 329.831 3.841 0 1 EHAF CC/C=C\C[C@H]1/C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 231931114 BZTIGFGJIMLNRE-DBRLUCTMSA-N 332.440 3.507 0 1 EHAF C[C@@H]1CN2[C@H](CC[C@@H](C)[C@@H]2c2ccc(Br)cc2)C(=O)O1 253952927 UVNCKUCDEJMPKS-YIKOMLBNSA-N 338.245 3.536 0 1 EHAF CC(C)(CO)[C@@H](O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586901517 RGJUMTPPRFZOGF-INIZCTEOSA-N 328.437 3.766 0 1 EHAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cncnc3[nH]2)c(F)c1 587145094 UUGFHXGXLVHPSH-UHFFFAOYSA-N 348.337 3.833 0 1 EHAF NCc1cccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587246048 BJSVMAXDCWWIMM-UHFFFAOYSA-N 329.407 3.520 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn3cc(C)cc(Cl)c3n1)O2 587382993 USWMFVUIRCKOSW-INIZCTEOSA-N 341.798 3.893 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C=O)ccc1O)CC2=O 587489453 NQBCPTRZKHSWLC-GOSISDBHSA-N 326.348 3.569 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2C[C@@H](C2(C)C)[C@]1(C)O 587491959 XUXFVBNOJQTQKE-GKWVWOCSSA-N 344.451 3.866 0 1 EHAF CC1(C)[C@H]2CC[C@]3(C2)[C@@H]1c1nc2nc(O)nc(O)c2cc1CC3(C)C 587562175 QYEWZBGSYQNCBN-CJAGKMTESA-N 339.439 3.928 0 1 EHAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1O 587587511 NAMICUQBFVEWRA-VQIMIIECSA-N 349.342 3.504 0 1 EHAF Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587589006 STWDKDVBWMALOA-YLJYHZDGSA-N 333.343 3.799 0 1 EHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccncc1 587656302 JGFWIBSFRDYNBN-UHFFFAOYSA-N 335.313 3.726 0 1 EHAF COC(=O)C[C@H](C)Cc1nc2cc(Br)cc(Cl)c2[nH]1 587783482 SMIRSKWBPSOGQD-SSDOTTSWSA-N 345.624 3.721 0 1 EHAF Cc1oncc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793083 JLJRGSPFPMIXAK-AYVTZFPOSA-N 339.208 3.682 0 1 EHAF CC[C@@H]1CCC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822902 NIMUDUGYQFJXRT-RDGWCUKFSA-N 340.236 3.707 0 1 EHAF C[C@@H](O)CCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587835767 YAOIIPDYYKKIBI-BREBYQMCSA-N 330.241 3.715 0 1 EHAF COc1ccc(CCCc2nc3c(F)cnc(Cl)c3[nH]2)cc1OC 587925861 RDEGCCJDTVRADG-UHFFFAOYSA-N 349.793 3.943 0 1 EHAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(=O)C(C)C)C(=O)OCC 963225571 FLKAQYDEYPAKFO-HRAATJIYSA-N 345.483 3.717 0 1 EHAF O=C(Nc1cccnc1)c1cc(C(=O)c2c(F)cccc2Cl)c[nH]1 1857553196 PZZAQNIXGLXSPW-UHFFFAOYSA-N 343.745 3.686 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@H](C(C)C)C[C@@H]2[C@@]1(C)O 2356437235 LZCAMMRMUKFTQK-TWRRNRRFSA-N 336.472 3.667 0 1 EHAF CC(C)[C@]1(O)CC[C@@H]2[C@H](C1)C(=O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@]12C 2356601541 ZGBSZOWVGHOHGO-OXPQRKMYSA-N 336.472 3.660 0 1 EHAF CN1CCN(c2nc(-c3cccs3)cc(-c3cccs3)n2)CC1 6480819 SMHGSXDLJAVPBU-UHFFFAOYSA-N 342.493 3.685 0 1 EHAF COc1cc(C[C@H](C)[C@@H](C)[C@@H](O)c2ccc3c(c2)OCO3)ccc1O 14646536 ROSZLESPLNBVCZ-MRRFBWAASA-N 344.407 3.678 0 1 EHAF biogenic O=C([C@H]1CCCO1)N(C(=S)OCc1ccccc1)c1ccccc1 27868633 MWQPNMAKZIVQST-QGZVFWFLSA-N 341.432 3.700 0 1 EHAF CCC(=O)N(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[C@@H]1N(C)C 28237875 JPHNQGBDWVDAIV-LSDHHAIUSA-N 328.378 3.931 0 1 EHAF O=C1O[C@@H](O)C(c2cccc3c2oc2ccccc23)=C1Br 28639976 NQLZCBCGUGWODK-OAHLLOKOSA-N 345.148 3.567 0 1 EHAF O=c1[nH]c2c(c(-c3ccccc3)nn2-c2ccccc2)c2c1CCC2 40974718 BPRMJDMDKWHNRP-UHFFFAOYSA-N 327.387 3.870 0 1 EHAF COc1ccc2cc(-c3ccc([C@]4(O)CN(C)CCO4)cc3)ccc2c1 64512316 VIKQNNVHRSLKKB-QFIPXVFZSA-N 349.430 3.623 0 1 EHAF CCC(CC)c1nc2c(NCC3CC3)ncnc2n1C[C@@H]1CCCO1 82185245 XCCHEGCWUOZBDB-HNNXBMFYSA-N 343.475 3.731 0 1 EHAF Cc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC(C)C)n2)c(C)c1 82191938 NBMCJJVXHQAUCB-KRWDZBQOSA-N 343.496 3.920 0 1 EHAF Cc1oc(-c2cccc(OC(=O)NC3CCCCC3)c2)cc1C(N)=O 95555767 WKJYERYYVJOQBD-UHFFFAOYSA-N 342.395 3.775 0 1 EHAF Cc1nn(C)c2nc3ccccc3c(NCCCCCCN(C)C)c12 169331720 MVNYQWPMVJSVBK-UHFFFAOYSA-N 339.487 3.964 0 1 EHAF CCCCC[C@@H]1/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 195142392 UTLCNJREJFJDLH-ONHUYGEDSA-N 336.472 3.523 0 1 EHAF Cc1ncncc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988341 PPAWHZDYFVMJMD-UHFFFAOYSA-N 339.354 3.917 0 1 EHAF CCOC(=O)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989495 LJARTOLSHBGHLE-UHFFFAOYSA-N 347.370 3.648 0 1 EHAF Cn1cc(-c2ncc(-c3nc4ccc5ncccc5c4[nH]3)s2)cn1 587022298 XNURNTRLYXSBPG-UHFFFAOYSA-N 332.392 3.635 0 1 EHAF COC(=O)C[C@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587108240 XWAPQVZGYNBBGQ-LLVKDONJSA-N 329.355 3.649 0 1 EHAF Nc1c(F)c(F)cc(-c2nc3ccc(Br)cc3[nH]2)c1F 587136813 NPZXKDPBMIVIRB-UHFFFAOYSA-N 342.118 3.992 0 1 EHAF COc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Cl 587158957 ZFYQHSGEEINOEE-DYZYQPBXSA-N 331.778 3.706 0 1 EHAF O=NN(CC(=O)O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587212094 BVVNIUCLFWOWNW-UHFFFAOYSA-N 333.347 3.573 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(COCc4cccc(Cl)c41)[C@@H](C2)C3=O 587422343 PFRGAIUVQXOIBM-DJJJIMSYSA-N 342.778 3.522 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](/C=C/OCC)(C(F)F)CC2=O 587464814 AJGAMYYKXBZRKZ-KBOKABMXSA-N 326.339 3.864 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccn3)[nH]n1)CC2=O 587487413 VRQLAQHUCBGDFI-IBGZPJMESA-N 349.390 3.836 0 1 EHAF O=C1C[C@H](c2ccc(OCCO)cc2)Oc2c1ccc1c2CCCC1 587525160 SMJQBEVBHIQTIX-HXUWFJFHSA-N 338.403 3.643 0 1 EHAF CC[C@]1([C@@H]2CCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587618932 VOXLUYHGCGAJIP-ASUYLVSUSA-N 340.375 3.539 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccn2C)N1 587752124 BSZFEYJCCRGWBC-MGPLVRAMSA-N 337.236 3.724 0 1 EHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 587784504 IDKQMMJINWOSFD-NEPJUHHUSA-N 328.318 3.785 0 1 EHAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccnc(Cl)c4[nH]1)(C3)C2 587950115 JWCCESMELQSOLP-CCHVVGMOSA-N 345.830 3.765 0 1 EHAF O[C@@H]1CCC[C@]2(C1)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962629123 IUWGGRFWVAOZPL-XPNTWCBSSA-N 348.490 3.564 0 1 EHAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@]21CCN2CCC[C@H]1C2 962701648 LLWMIEZEWUVWAY-FTRWYGJKSA-N 346.515 3.500 0 1 EHAF Oc1ccc2c(c1)[C@@H](c1cc(F)cc(F)c1Br)NCC2 963350308 AUGCVSALUOGOPX-HNNXBMFYSA-N 340.167 3.668 0 1 EHAF CCC[C@@]1(c2sccc2C)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963490503 KHCILSLAUFKHFQ-HNAYVOBHSA-N 345.464 3.713 0 1 EHAF C[C@H](NC(=O)Cn1cccc1C(=O)c1ccccc1)c1ccccc1 6752175 HYDSJANFUVZPQL-INIZCTEOSA-N 332.403 3.597 0 3 EHAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H](C)[C@@H]2C)cc1OC 13863438 PAGIVPCQHJQBLJ-UONOGXRCSA-N 338.407 3.727 0 1 EHAF c1ccc(N2CCN(c3nc4ccsc4n4cccc34)CC2)cc1 26181408 ZJCWWTLTVPRANX-UHFFFAOYSA-N 334.448 3.876 0 1 EHAF COc1ccc([C@](O)(c2cncnc2)c2ccc(C)c(C)c2)cc1C 28768899 MDUBKATZDOTXNA-NRFANRHFSA-N 334.419 3.695 0 1 EHAF COc1ccc(CCN2C(=O)CS[C@]2(C)c2ccc(C)cc2)cc1 38149931 YLRDEODUPITVFV-HXUWFJFHSA-N 341.476 3.994 0 1 EHAF CO[C@@H]1Cc2sccc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 40949726 HMUZHWZEQUYOQA-SFHVURJKSA-N 347.455 3.924 0 1 EHAF Oc1cccc(-c2nc3ccc(C4=N[C@@H]5CCCC[C@@H]5N4)cc3[nH]2)c1 45226514 VKALQAQSZJKIQG-IYBDPMFKSA-N 332.407 3.597 0 1 EHAF COc1cc(CCN[C@H](C)COc2c(C)ccc(C)c2C)ccc1O 66165946 SNGIWJYURJJXFS-MRXNPFEDSA-N 343.467 3.926 0 1 EHAF COc1cc(-c2cnc3ccc(-c4cccc(F)c4)nn23)ccc1O 74385902 VDCSBFAQEJOGLY-UHFFFAOYSA-N 335.338 3.917 0 1 EHAF COCCn1c(C(C)C)nc2c(NCc3ccc(C)cc3)ncnc21 82179349 SJTUFUIOYUZQKD-UHFFFAOYSA-N 339.443 3.517 0 1 EHAF NC(=O)c1ccccc1Nc1cccc(NC(=O)c2ccccc2)c1 95574230 NMPLIHLWBQWHSV-UHFFFAOYSA-N 331.375 3.781 0 1 EHAF CN(C)CCCN[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(Cc1ccccc1)C3 96931464 CIGGBOATJYNBEF-BJOMATTFSA-N 326.528 3.965 0 1 EHAF Cc1ccc(Cl)cc1NC(=O)COC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2 101636072 BOYZVVONRGESGF-MCIONIFRSA-N 335.831 3.956 0 1 EHAF CC1=NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)OC1CCCC1 169719491 BFACNILAUBCXCC-CABCVRRESA-N 334.803 3.667 0 1 EHAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2F)c1 221715583 SPMLNRHNYBYMMZ-GFCCVEGCSA-N 339.370 3.715 0 1 EHAF Cc1ccc([C@H](C)[C@@H](O)c2nc3c(Br)ccnc3[nH]2)cc1 586887024 HGQANQHZTDNGDE-IINYFYTJSA-N 346.228 3.866 0 1 EHAF O=C(O)c1cc(Br)cc2nc(-c3occ4c3CCC4)[nH]c12 586905259 IMGDKHONJBIPHU-UHFFFAOYSA-N 347.168 3.772 0 1 EHAF COC(=O)Nc1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 587243872 SFCJKDDBXRVROT-UHFFFAOYSA-N 347.172 3.566 0 1 EHAF COC(=O)Nc1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cn1 587244354 DAIPQGLGYSWDNQ-UHFFFAOYSA-N 336.273 3.822 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O)c1Br)O2 587376486 IVCMNUOEBGBSQI-AWEZNQCLSA-N 348.196 3.752 0 1 EHAF CC[C@]1(c2ccc(N(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430977 XEYKTBFLLCFCKD-DYESRHJHSA-N 337.419 3.814 0 1 EHAF CCOC(=O)C(C)(C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526602 YOVPMHKYRTXOHX-HXUWFJFHSA-N 330.424 3.879 0 1 EHAF CC[C@]1(c2ccncc2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962620321 GAJXIJZWWIYCTF-VLIAUNLRSA-N 326.440 3.629 0 1 EHAF CCCCNC(=O)Cn1cc(CN2CCCCC2)c2cc(F)ccc21 1772650681 JHYWRNWKPUUQFO-UHFFFAOYSA-N 345.462 3.683 0 1 EHAF N=C(N)c1ccc2cc(-c3ccc(-c4ccc(C(=N)N)o4)s3)[nH]c2c1 1857747169 QGJDCXOVBUVTFN-UHFFFAOYSA-N 349.419 3.725 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@H](C(C)C)C[C@H]2[C@@]1(C)O 2356437236 LZCAMMRMUKFTQK-UXANRKEVSA-N 336.472 3.667 0 1 EHAF CC(=CC(=O)O)CC[C@H]1[C@@]2(C)CC[C@@H](O)C(C)(C)[C@H]2CC[C@@]1(C)O 2356471770 YSIVERHSGIJYEX-VQEGESQYSA-N 338.488 3.762 0 1 EHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC=C2[C@@H]1C[C@H](O)[C@@H](O)C2(C)C 2356640916 WFFSKSWERRSCHE-WPQDNLPKSA-N 336.472 3.538 0 1 EHAF CC(=CCO)CC[C@H]1[C@@]2(C)CCC[C@@](C)(C(=O)O)[C@H]2CC[C@@]1(C)O 2356710483 GFYNKSLVMQVEBT-FLFBIERCSA-N 338.488 3.764 0 1 EHAF CN(C)c1ccc2ncnc(Nc3cccc(Br)c3)c2n1 20363 VUFZZYOKJHFSAA-UHFFFAOYSA-N 344.216 3.597 0 1 EHAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]1C 4134228 XSTZSCYENOCESX-ZZCKCESHSA-N 328.456 3.677 0 1 EHAF COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1cc(C)c(C)cc1C2=O 5539820 KFYPYRIWJJGRNM-RXVVDRJESA-N 348.402 3.817 0 1 EHAF COc1cc2oc(-c3ccc(O)cc3OC)c(C=O)c2cc1OC 13340118 XEKPUDFFLUWMDD-UHFFFAOYSA-N 328.320 3.644 0 1 EHAF biogenic CO[C@@H]([C@H](C)[C@@H](OC)[C@@H](C)C(C)=O)[C@@H](C)[C@@H](OC)c1ccccc1 13783007 WPRYXYGHRKNLKD-WDHWYFMBSA-N 336.472 3.901 0 1 EHAF O=[S@](Cc1nc2ccccc2n2cccc12)c1nc2ccccc2[nH]1 28638606 BATBADBTUBXJIY-VWLOTQADSA-N 346.415 3.672 0 1 EHAF O=C(O)c1ccc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)cc1 40860004 MWSMEFTTXKMGKI-UHFFFAOYSA-N 333.269 3.651 0 1 EHAF O=C1NC(=O)/C(=C/c2ccc(-c3cc(=O)c4ccccc4o3)cc2)S1 40954225 CPOGJBIESQVDFW-MFOYZWKCSA-N 349.367 3.784 0 1 EHAF O=C1/C(=C/c2ccccc2)CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 84668811 JMQSOLMYBZUUEE-BPODZEFMSA-N 336.479 3.565 0 1 EHAF COc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)NC(=S)N2)cc1 103184479 OKEHCWNNZYONAD-HNNXBMFYSA-N 330.840 3.909 0 1 EHAF CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cc(F)cc(F)c1 114399104 YLPOZLDIQRLKGD-OAHLLOKOSA-N 342.349 3.570 0 1 EHAF Fc1cccc(-c2cnc3sc(NCCc4ccncc4)nn23)c1 117608753 BRJFUFWYUJOFHP-UHFFFAOYSA-N 339.399 3.647 0 1 EHAF Cc1ccc(F)cc1-c1ccc2cc(NS(C)(=O)=O)ncc2c1 169699957 DXKJINDNBLCELD-UHFFFAOYSA-N 330.384 3.721 0 1 EHAF O=C(O)CCC[C@@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCO 535384801 YKIUQPPQZSVUED-DKJXOFOHSA-N 334.456 3.936 0 1 EHAF in-vitro Cc1c(Sc2ccc(F)c(F)c2F)sc2nc(=N)[nH]c(N)c12 584905229 HOYROOKWEBIDCA-UHFFFAOYSA-N 342.371 3.563 0 1 EHAF in-vitro Cc1cc(Br)cc2nc(-c3cnc([C@H](C)O)s3)[nH]c12 587022651 UDJFJKBTLONKKB-ZETCQYMHSA-N 338.230 3.811 0 1 EHAF Cc1ccc(Cc2nc3ccc(C(=N)N)cc3[nH]2)cc1C(F)(F)F 587095604 MLMWKUFFIGFCKD-UHFFFAOYSA-N 332.329 3.765 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccn(C)n3)c1)O2 587392691 VUOQMXDVWUNVRU-LJQANCHMSA-N 333.391 3.684 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccccc3C)CC1)O2 587392884 DYSCOSKPNKUIGN-UHFFFAOYSA-N 336.435 3.890 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1c(C)nn(C(C)C)c1C)[C@@H](C2)C3=O 587431136 IMNAYDXHTPCDKG-YWZLYKJASA-N 340.423 3.752 0 1 EHAF COc1cc2c3c(c1)O[C@@]([C@@H](C)O)(C1(C)CCCCC1)[C@@H](C2)C3=O 587450463 MAJJYUHXWXCYII-UFAGZECESA-N 330.424 3.533 0 1 EHAF Cc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586258 JRLLJOZAGAOSQU-FXAWDEMLSA-N 333.343 3.799 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)nc2)N1 587739245 UVTBKKLZZNLAFU-AYVTZFPOSA-N 339.183 3.746 0 1 EHAF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C 587752997 GRXZBSLWMDJVOK-JDNHERCYSA-N 337.236 3.859 0 1 EHAF Oc1ccc2c(c1)C1(CCN(Cc3ccccc3Cl)CC1)NCC2 963339729 BDHCCQJPUYWANG-UHFFFAOYSA-N 342.870 3.683 0 1 EHAF Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCc4ccco4)cc3)c12 1772570695 CDENOGRHYWLPCN-UHFFFAOYSA-N 347.378 3.848 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1[C@](C)(O)[C@H](O)C[C@@H]2C(C)(C)CCC[C@@]12C 2356381801 ZHIYNJZBJDWRKG-ZOTMLPGNSA-N 338.488 3.762 0 1 EHAF CC[C@@H]1C[C@H]2CN3CC[C@H]4C(=Nc5ccccc54)[C@@](C(=O)OC)(C2)[C@@H]13 2356512784 DVIHZCAJLDCNRW-NUEUTLORSA-N 338.451 3.540 0 1 EHAF CC[C@@H]1CC(=O)[C@@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356608135 FUMGFDQTISKFTC-XRGPBPHWSA-N 332.484 3.630 0 1 EHAF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)CCC(C(C)C)=C1C[C@@H](O)[C@H]2C 2356754830 PLJKAXMGXOUMBM-XDZLXDMWSA-N 334.500 3.854 0 1 EHAF C[C@H](C(=O)O)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1CNC2=O 2356792574 JWDJVNHLOBMBGX-YUNKPMOVSA-N 329.440 3.976 0 1 EHAF CCOC(=O)CCNCCCOc1ccc(Cc2ccccc2)cc1 13475285 SXIVPFHAQYQFMO-UHFFFAOYSA-N 341.451 3.589 0 1 EHAF O=C1NCCc2c(-c3ccc(Cn4cccc4)cc3)[nH]c3cccc1c23 27554013 ZLFVDICCMDJJIP-UHFFFAOYSA-N 341.414 3.971 0 1 EHAF Nc1ccc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2c1 28711042 ABRXGDFENWZLCW-UHFFFAOYSA-N 329.359 3.957 0 1 EHAF Cc1ccc(O)c(C(=O)NCCCN2C[C@H](C)C[C@@H]3CCCC[C@@H]32)c1 29394609 XIOOCUZTCXVCSV-AOIWGVFYSA-N 344.499 3.721 0 1 EHAF COc1cc(C)c([C@H](O)CN[C@@H](C)CCc2ccccc2)cc1C 45168661 MKLQJSXWKMOOJD-FXAWDEMLSA-N 327.468 3.956 0 1 EHAF CCOC(=O)[C@H]1CCCN(Cc2coc(-c3ccccc3Cl)n2)C1 68253401 PTZGBLWOCGJSPK-ZDUSSCGKSA-N 348.830 3.770 0 1 EHAF C[C@](O)(CSc1ccc(F)cc1)c1nc(-c2ccccc2)no1 73330441 WLDUBSVMPNODNT-KRWDZBQOSA-N 330.384 3.876 0 1 EHAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@](C)(O)[C@@]12C 238755817 CPGDJQWAOHOBFE-BBLUDWJGSA-N 346.423 3.892 0 1 EHAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc[nH]c(=N)c3[nH]2)c1 586882152 KUHLVKKHQWULIY-UHFFFAOYSA-N 342.402 3.885 0 1 EHAF N[C@@H](Cc1nc2ccc(C(=O)O)cc2[nH]1)c1cccc2ccccc12 587258828 UIXRWURKEAOFHO-INIZCTEOSA-N 331.375 3.657 0 1 EHAF CCCc1c(O)ccc2c1OC1(CCN(CC(C)C)CC1)CC2=O 587475374 LALBMKWSLHOAKM-UHFFFAOYSA-N 331.456 3.801 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)([C@H](CC)C(=O)OCC)CC2=O 587476801 AWZGFSWWPINGFU-KUHUBIRLSA-N 334.412 3.658 0 1 EHAF COC(=O)c1coc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587529418 BSPUGIORGXOKIF-QGZVFWFLSA-N 326.348 3.652 0 1 EHAF CSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587531553 HMWQRSBMXBLWEN-INIZCTEOSA-N 326.421 3.784 0 1 EHAF Cc1[nH]c2ccccc2c(=O)c1Cc1c(C)[nH]c2c(C(=O)O)cccc12 587638694 IWGJRQDUFGMUPF-UHFFFAOYSA-N 346.386 3.915 0 1 EHAF OCCc1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587951742 ZHZGUTYXLOJZIY-UHFFFAOYSA-N 326.440 3.583 0 1 EHAF Cc1cc2c(cc1F)[C@]1(C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1)NCC2 962095821 XNGXMLMEUKANBH-HBFSDRIKSA-N 343.446 3.500 0 1 EHAF CCCC(=O)C[C@]1(C(=O)OCC)c2ccccc2C[C@H](C)N1CCC 963241195 MKHUSCHKHAHJIH-HRAATJIYSA-N 345.483 3.861 0 1 EHAF COc1ccc(Br)c(-c2nc3ccc(F)cc3[nH]2)c1O 1251020230 HMUPPPWCUXNZRH-UHFFFAOYSA-N 337.148 3.846 0 1 EHAF Oc1cccc(-c2cc3c(oc4ncccc43)c(N3CCOCC3)n2)c1 1772639912 CRZTZRWPHCWXOK-UHFFFAOYSA-N 347.374 3.585 0 1 EHAF CC(=O)OC[C@@H]1c2ccccc2[C@]2(C)CCC[C@@](C)(COC(C)=O)[C@H]12 2356468141 RIIFDNXAHNUKBM-HZEGPAAWSA-N 344.451 3.974 0 1 EHAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@@H]1c1ccc(OC)cc1 406590 OLFPSPKYBVMMQN-PJCCXHTNSA-N 345.395 3.506 0 1 EHAF CCN(CC)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 1370380 VBNOHHLYJMSZEV-OALUTQOASA-N 329.488 3.624 0 1 EHAF c1ccc2c3nc[nH]c(N4CCN(C5CCCCC5)CC4)c-3nc2c1 6504368 AWKSLSFSATUADS-UHFFFAOYSA-N 335.455 3.517 0 1 EHAF O=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1 13586727 IWVOYZQRBNJWPZ-UHFFFAOYSA-N 332.359 3.617 0 1 EHAF Nc1ccc(C(=O)NCc2ccc(Oc3cccc(F)c3)s2)cn1 13981413 NHJWVGQYRNOLBS-UHFFFAOYSA-N 343.383 3.587 0 1 EHAF CSc1ccc(C(=O)c2ccc3n2CCCC[C@H]3C(=O)O)cc1 25992202 NEVXLKGMJJKGFT-CQSZACIVSA-N 329.421 3.793 0 1 EHAF Cn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21 28468117 SLMWQRNSGOARMV-UHFFFAOYSA-N 347.462 3.657 0 1 EHAF CCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 42989092 IQQCTFIMWNYMOV-CABCVRRESA-N 334.414 3.701 0 1 EHAF C[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC[C@@H]5C[C@@H](O)CC[C@]45C)[C@@H]2CC[C@H]13 98054851 OPBWRTJTMOOQDF-JEKXPXOESA-N 334.500 3.725 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3cccc(O)c3CC[C@H]21 100620779 DMFDAOOIIRJWAQ-FXAWDEMLSA-N 346.430 3.985 0 1 EHAF CN1[C@@H]2CC[C@@H]1[C@@H]([C@H](O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 101192809 FSULAQVXMVICFX-ZSAUSMIDSA-N 333.781 3.830 0 1 EHAF CC(C)(O)c1ccc(C(=O)Nc2cc3c(ccn3CC3CC3)cn2)cc1 118575044 OFLQFDPYHCROCP-UHFFFAOYSA-N 349.434 3.926 0 1 EHAF C=CC(=O)N1CCC(c2nc3ccccc3n2Cc2ccccc2)CC1 169353303 BMGNUNHITWGURW-UHFFFAOYSA-N 345.446 3.977 0 1 EHAF COC(=O)C[C@@]1(C)CC[C@]2(OC(=O)C[C@H]3C(C)(C)CCC[C@@]32C)O1 238730801 GLAMGKFUSHSJAV-PZGXJPJSSA-N 338.444 3.594 0 1 EHAF N=C(N)c1ccc2[nH]c(-c3cccc(N4CCCCC4)c3O)cc2c1 473157247 UPKHVFIPJSYMAP-UHFFFAOYSA-N 334.423 3.815 0 1 EHAF N[C@@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1Cl 587058403 VDBCCCGKGSCEGW-JTQLQIEISA-N 340.736 3.873 0 1 EHAF Nc1ccc(F)c(Cc2nc3cc(Br)cc(F)c3[nH]2)c1 587141401 QNCRUBOPIYVKDO-UHFFFAOYSA-N 338.155 3.777 0 1 EHAF C[C@H](Oc1ccc(F)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587169467 WYALJIPMIOVMLT-ZETCQYMHSA-N 326.253 3.602 0 1 EHAF COc1ccc(C)cc1NCCCc1nc2cc3c(cc2[nH]1)OCO3 587229086 NNMYCKUDLPCFGO-UHFFFAOYSA-N 339.395 3.653 0 1 EHAF N[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587334431 JNJNMGFVSQGNSV-DJKXOVBDSA-N 341.382 3.530 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2OC2(C)C)N1 587828831 AANOFBBIAFVXAU-ZBVHDKTDSA-N 328.225 3.515 0 1 EHAF NC(=O)/C(=C/c1ccccc1O)c1nc(-c2ccc(F)cc2)cs1 587921879 DQYXRECPKAFOEV-ZROIWOOFSA-N 340.379 3.681 0 1 EHAF O=C1OCc2ccc(-c3ccc(O)cc3)c(C(=O)c3ccc(O)cc3)c21 1857640167 PXBJKBXSEIJNMT-UHFFFAOYSA-N 346.338 3.666 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@@H]12)C[C@@]45C(=O)O 2356457284 KWHAEXKTUBKWAW-NALDVGPISA-N 346.467 3.883 0 1 EHAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)OC3=CC(=O)O[C@@H](O)C3=C[C@@H]12 2356582916 CEALEKGWMIZUGO-LDAIKLSLSA-N 332.440 3.703 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)[C@@H](O)C[C@H]32)C1 2356686392 DEFGFJXDFQPYFM-CPZQJQDXSA-N 348.483 3.501 0 1 EHAF CC=CC=CC=C(CO)[C@@H](OCc1c(O)cccc1CCC)[C@@H](C)O 2356723044 XKIAQQKVGCCNKN-IERDGZPVSA-N 346.467 3.662 0 1 EHAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](C[C@@H](O)C(C)=CCC1)[C@@H](C)C(=O)O2 2356796526 NIVAIWZASBWDAD-VBEQINLCSA-N 336.472 3.523 0 1 EHAF Cc1ccc(NC(=O)[C@]2(C)CCN2C(=O)C2CCCCC2)cc1C 61905655 FTCHPVPHZRMZBQ-FQEVSTJZSA-N 328.456 3.813 0 3 EHAF COc1cc(OC)c(-n2cc(-c3ccc(C)cc3)[nH]c2=O)cc1Cl 2461867 YHROESSXQJYMIZ-UHFFFAOYSA-N 344.798 3.812 0 1 EHAF CNc1ccc([C@@H]2CCN3Cc4ccccc4N=C23)cc1C(=O)OC 13361019 UYHHGHQLVKQIQK-HNNXBMFYSA-N 335.407 3.548 0 1 EHAF biogenic CC1(C)O[C@@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 13374950 XIIINVJICGOJHC-HNNXBMFYSA-N 344.363 3.848 0 1 EHAF biogenic,in-vitro CC(=O)c1cc(OCc2cccc(Cl)c2)ccc1OCCCO 28222672 MHODIFLBQADZMI-UHFFFAOYSA-N 334.799 3.883 0 1 EHAF CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@@H]1CNCC1CCCC1 29128255 NXELRJXDBIVZKB-TZIWHRDSSA-N 328.500 3.593 0 1 EHAF O=[S@@](C[C@]12N[C@H](Cc3ccccc31)c1ccccc12)c1ccccc1 40738010 HTVFYUVEJALYGO-OTNCWRBYSA-N 345.467 3.938 0 1 EHAF O=C(O)CSc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1 40864099 SFYUZPMFKYNRER-UHFFFAOYSA-N 346.799 3.599 0 1 EHAF Nc1nc2ccccc2nc1CNc1ccc(CN2CCCCC2)cc1 73200440 OSHFDBMABRTSHC-UHFFFAOYSA-N 347.466 3.810 0 1 EHAF Fc1ccc(F)c(CN2CCN(Cc3c[nH]c4ccccc34)CC2)c1 89455145 QXMZXABRBSZENN-UHFFFAOYSA-N 341.405 3.764 0 1 EHAF CC(=O)N[C@H]1[C@H]2CC(C)=C[C@H]1Cc1nc3cc(Cl)ccc3c(N)c12 101059217 SRBWAIWJMGLCDO-NXPJVHOHSA-N 341.842 3.581 0 1 EHAF Cc1cc(C)c(Nc2ccnc(Nc3ccc(C(N)=O)cc3)n2)c(C)c1 115424703 BKXUZQUTEZBQIW-UHFFFAOYSA-N 347.422 3.988 0 1 EHAF O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)Oc1ccccc1 115889285 QLEURDSHNTVRTP-KTKRTIGZSA-N 325.755 3.675 0 1 EHAF C#Cc1ccc(C(=O)Nc2ccc(CC[C@@H]3CCCCN3)cc2)cc1 117719388 DUGDGYJYGAREFI-FQEVSTJZSA-N 332.447 3.995 0 1 EHAF C[C@@H](CO)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@H]3CC[C@]12C 169338181 VQISOTOPDCGBAH-AORYOHGTSA-N 349.515 3.924 0 1 EHAF CN1C(=O)[C@@H](c2ccc(C#Cc3cccc(F)c3)cn2)CCC1(C)C 204405799 RZADELXKYYDCDV-GOSISDBHSA-N 336.410 3.735 0 1 EHAF CCC(=O)Nc1ccc(SC[C@@H]2CCCN3CCCC[C@@H]23)nc1 504083229 LNSUGMJFFQEZJQ-HOCLYGCPSA-N 333.501 3.787 0 1 EHAF biogenic Clc1ccc(-c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)nn1 587084495 AZSKIUSESZLWOI-UHFFFAOYSA-N 343.177 3.735 0 1 EHAF COC(=O)[C@@H]1c2nc3cccc4c3c(c2C[C@H]1C)-c1ccccc1C4=O 587107062 MXKNTBCGMNWLHO-DIFFPNOSSA-N 343.382 3.895 0 1 EHAF COc1ncc(F)cc1-c1nc2c(F)cc(Br)cc2[nH]1 587176358 PXIXEDRYYHWHSP-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF Fc1cncc(Cl)c1Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587176392 RQEVCHQOZJQROP-UHFFFAOYSA-N 341.676 3.663 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)CN1CCC[C@H](C)C1)O2 587393380 HLNIOFDYHKNLFY-UGSOOPFHSA-N 330.472 3.669 0 1 EHAF COc1cc2c3c(c1)O[C@](C(C)=O)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587417672 FAIFQHVQIHWAIY-HNAYVOBHSA-N 342.778 3.581 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(O)c1Cl)[C@@H](C2)C3=O 587423160 SXAFSOAVSXKJIB-BBATYDOGSA-N 346.766 3.552 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cnc1Cl)[C@@H](C2)C3=O 587423769 ZFABOTHKVBDAOD-ZUZCIYMTSA-N 336.174 3.886 0 1 EHAF Cc1nc(-c2cc(-c3ccc4c(O)nc(O)nc4n3)cs2)cs1 587564859 YANCZCCIEJBRJV-UHFFFAOYSA-N 342.405 3.596 0 1 EHAF Cn1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576320 IQYMMDRMFWHNNG-FXAWDEMLSA-N 335.359 3.608 0 1 EHAF Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587613154 NZRQCPPDHBEZFX-QAPCUYQASA-N 339.372 3.860 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2F)N1 587728697 FXUSJUQGOAKPDM-ANRSDYALSA-N 339.183 3.746 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccncc2)N1 587776450 CUPHMRYPPXRRFD-GTNSWQLSSA-N 349.247 3.975 0 1 EHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(C(C)=O)ccc3[nH]2)cc1 587785869 PFQYYKATWOMYMF-JKSUJKDBSA-N 334.375 3.709 0 1 EHAF CC(=O)[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587823596 QGFXNKAQDLTKHD-RVIYUIFMSA-N 340.236 3.707 0 1 EHAF Cc1ccc(-c2csc(-c3cccc(S(N)(=O)=O)c3)n2)cc1C 587921323 WEVBTXQOPCEGRU-UHFFFAOYSA-N 344.461 3.741 0 1 EHAF COc1ccc(C[C@H](C)c2nc3ccnc(Cl)c3[nH]2)cc1OC 587927416 UKPSLWHKKWRKKQ-JTQLQIEISA-N 331.803 3.975 0 1 EHAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587932220 WBCGQVRHNQGHSW-BLVKFPJESA-N 340.354 3.854 0 1 EHAF COc1ccc2c(c1OC)[C@@](C)(Cc1ncccc1C)N(C)[C@@H](C)C2 962572003 PMGPDIMCRQJDHJ-YCRPNKLZSA-N 340.467 3.742 0 1 EHAF Cc1ccc(NC(=S)N2CCN(C(=O)CC(C)(C)C)C[C@H]2C)cc1 1857563867 MDCXPKIGWRDKRP-OAHLLOKOSA-N 347.528 3.661 0 1 EHAF Cc1oc2c3c(cc(O)c2c(=O)c1CCC(C)(C)O)OC(C)(C)C=C3 1857629952 DWCNDUXEPIKUCZ-UHFFFAOYSA-N 344.407 3.695 0 1 EHAF Cc1cc(C)c(Oc2nc(=N)nc(Nc3ccc(F)cc3)[nH]2)c(C)c1 1857767484 ZXPBSUPTHZWZPY-UHFFFAOYSA-N 339.374 3.884 0 1 EHAF COC(=O)C1=CC=C[C@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@]12CO 2356566680 PJHGAHSSRFVDMB-KYPFXXDHSA-N 344.451 3.913 0 1 EHAF CC(=O)O[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@H]21)[C@H](C)C3=O 2356587364 IJGZHMHIRCHAKC-URCKIYNWSA-N 348.483 3.501 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C=C(C)[C@]2(C)CCC(=O)C[C@H]2[C@@]1(O)C(C)C 2356589716 PWPPAEVQZGIEJV-JYBIWHBTSA-N 334.456 3.587 0 1 EHAF COC[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)CC1=O 2356702791 TXOICHCTMJMZFA-OMUIFQHSSA-N 334.500 3.832 0 1 EHAF Cc1cc(=O)c2c(o1)O[C@@H]1[C@H](CC[C@@H]3C(C)(C)C(=O)CC[C@@]31C)C2 2356717629 CPKRFLHGFOUEQI-SQIUQIIDSA-N 330.424 3.673 0 1 EHAF Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)c(C)c1 4836035 LEDYVAIHDFOYJY-UHFFFAOYSA-N 329.381 3.677 0 3 EHAF C[C@@H]1CCCN(C(=O)c2nn(C)c3c2CSc2ccccc2-3)C1 6817597 UFSRTOAUHMEDTO-GFCCVEGCSA-N 327.453 3.565 0 3 EHAF CCCNC(=O)[C@]1(C)CCN(Cc2ccc(Cl)c(Cl)c2)C1 61897025 LYVJYIBNKSRYGX-MRXNPFEDSA-N 329.271 3.732 0 3 EHAF Cc1c(C(=O)NC(C)C)sc2ncnc(N3CCCC[C@@H]3C)c12 223791 HUBGCHARCIVIBW-NSHDSACASA-N 332.473 3.517 0 1 EHAF CN(C(=O)CCCOc1ccc2[nH]c(=O)sc2c1)C1CCCCC1 26820700 YWCOQPBUMSDULA-UHFFFAOYSA-N 348.468 3.540 0 1 EHAF Cc1cccc2[nH]cc(C(=O)N3CCC(c4cccc(CN)c4)CC3)c12 28467092 YZPXXRUNPIIQDK-UHFFFAOYSA-N 347.462 3.955 0 1 EHAF COc1nc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)no1 28769458 DDPAQYNSDSJGLU-UHFFFAOYSA-N 343.383 3.670 0 1 EHAF COc1ccc(-c2cc(=O)c3cc(C)cc([N+](=O)[O-])c3o2)cc1OC 34634562 UBNNNCSYSHGTMS-UHFFFAOYSA-N 341.319 3.694 0 1 EHAF CN(C)C(=O)N1Cc2c(Cl)cccc2[C@H](c2cccc(O)c2)C1 40556633 YBWJTCYDMKKHRF-HNNXBMFYSA-N 330.815 3.675 0 1 EHAF CCCCCC[C@H]1OC(=O)C[C@]1(Cc1ccc(OC)cc1)C(=O)OC 73167252 AQDJCCLMFUHPEN-XLIONFOSSA-N 348.439 3.683 0 1 EHAF COc1cccc(-c2ccc3ncc(-c4ccc(O)c(OC)c4)n3n2)c1 74385848 XNLWSIDWAVTHEW-UHFFFAOYSA-N 347.374 3.786 0 1 EHAF CN1CCC[C@H]1COC(=O)c1coc(-c2ccc3ccccc3c2)n1 82086441 SILTZNWBQQGOQT-KRWDZBQOSA-N 336.391 3.746 0 1 EHAF Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCCC3)cc12 118710651 UPQXIAUISDXGAM-UHFFFAOYSA-N 334.832 3.783 0 1 EHAF CNc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccn2)n1 299836161 MBSODQQDZFLCRN-UHFFFAOYSA-N 325.803 3.846 0 1 EHAF C[C@@](O)(c1ccc(OC(F)(F)F)cc1)c1ncnc2ccccc12 299860793 HDBMORQSVIPDTH-MRXNPFEDSA-N 334.297 3.784 0 1 EHAF Cc1cnc2[nH]c(COc3ccc(Br)cc3C)nc2c1 586981164 LOWFVFGDSSSQTP-UHFFFAOYSA-N 332.201 3.916 0 1 EHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(Cl)ccc2[nH]1 587147055 CUBBFFCLKOXFJO-UHFFFAOYSA-N 345.740 3.957 0 1 EHAF Cc1c(F)ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 587158867 YJLWRTIBIJFIIC-GOSISDBHSA-N 327.334 3.941 0 1 EHAF COc1ccc(NC(C)(C)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 587201902 YLJPVBWKVRWAGL-MRXNPFEDSA-N 339.399 3.642 0 1 EHAF O=C(Cc1cc2c3c(cccc3n1)CC2)NC1C2CC3CC(C2)CC1C3 587210780 HUMQYNPOSQNDPV-UHFFFAOYSA-N 346.474 3.817 0 1 EHAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc3c(c2[nH]1)CCCC3 587223710 DNPYCARHSHXZIF-CQSZACIVSA-N 349.434 3.525 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(C(F)(F)F)s1)O2 587382222 KNYITRHLNOYAOC-SNVBAGLBSA-N 328.315 3.759 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(F)(F)[C@@H](F)C(F)(F)F)O2 587383366 WKUGDJMGWMYATB-VXGBXAGGSA-N 341.251 3.837 0 1 EHAF CSc1nccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587533108 QYIKHCKOJIXODE-LJQANCHMSA-N 340.448 3.958 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCSCC1 587620340 YETJIYHLKMGJPC-LPHOPBHVSA-N 342.416 3.866 0 1 EHAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc(F)c(F)c1 587638537 ZGBLQCUGZVFRJL-UHFFFAOYSA-N 330.290 3.705 0 1 EHAF O=C(C1CCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657335 YNNSLCOQKCWFQX-UHFFFAOYSA-N 340.329 3.782 0 1 EHAF CC(=O)CCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587813801 PWJJGHSDVAFCMB-PSLIRLAXSA-N 328.225 3.923 0 1 EHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)OC(C)(C)C 587868748 RXUCYVCEYLEWEW-UHFFFAOYSA-N 343.305 3.756 0 1 EHAF O=C(NCc1ccccc1)Nc1n[nH]c(-c2ccccn2)c1C1CC1 653782778 YAWKXHRJBGAUJY-UHFFFAOYSA-N 333.395 3.671 0 1 EHAF Cc1cc(COc2cc(F)c(F)c(F)c2)nc(-c2ccccn2)n1 653808140 XENDHZQUAVOHML-UHFFFAOYSA-N 331.297 3.843 0 1 EHAF CC[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c21 653852849 VSLAOUBSLUKZHE-JTQLQIEISA-N 333.482 3.877 0 1 EHAF c1ccc([C@@H]2Oc3ccccc3C3=NN[C@H](c4ccncc4)[C@H]32)cc1 653869220 FODVSPVMCYTCET-SBHAEUEKSA-N 327.387 3.880 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(CO)CC[C@@H]32)C1 2356621778 PRBXKEWXBFDLIT-FTHRUDGRSA-N 348.483 3.502 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC(=O)[C@@H](C)[C@]12C 2356750732 AQLZNBNHVVROJC-YNXJIDDESA-N 344.407 3.956 0 1 EHAF O=C1c2ccccc2[C@H](Nc2ccc3c(c2)OCO3)N1Cc1ccco1 4914489 PUGNHXAHVMTKMA-LJQANCHMSA-N 348.358 3.775 0 3 EHAF Cc1cc(C[C@H](N)C(=O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 6070009 QHHWMOKQVCJRPS-KRWDZBQOSA-N 343.423 3.879 0 1 EHAF Cc1cccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cnn12 13438677 UIYATCKYXWPCQG-UHFFFAOYSA-N 340.858 3.618 0 1 EHAF CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)[nH]c1=O 13536116 VTMCNGMNFBAFFD-UHFFFAOYSA-N 343.471 3.997 0 1 EHAF COc1ccccc1Oc1ncccc1C(=O)NCc1ccccc1 13860732 LWTUWJATXJDMMX-UHFFFAOYSA-N 334.375 3.813 0 1 EHAF COc1cccc(CN2CCc3nc(N4CCCCC4)sc3C2)c1 45371297 MKGOETRYNDEUQU-UHFFFAOYSA-N 343.496 3.700 0 1 EHAF COC(=O)C1=C(c2cccc(-c3nccs3)c2)C[C@@H]2CC[C@H]1O2 84604074 DWPZMURPWZHSTE-DZGCQCFKSA-N 327.405 3.688 0 1 EHAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)C)nnc2c1 84732604 XCRKJGXQDNWYBH-UHFFFAOYSA-N 334.423 3.720 0 1 EHAF S=C1N[C@H](c2cccc(Oc3ccccc3)c2)N2CCCCN12 96282420 BMJQFQXQDACGLQ-KRWDZBQOSA-N 325.437 3.678 0 1 EHAF C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@@H](O)CC[C@H](C)[C@@]12C 102232909 FEVYLFPXBKQRPU-QBSSENITSA-N 346.423 3.748 0 1 EHAF CC[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C 103251395 PPUNHWFUTBMUGU-KRWDZBQOSA-N 347.480 3.617 0 1 EHAF COc1ccc(Cl)cc1CNCCc1ccc(CCC(=O)O)cc1 103299060 KFBFGTWXGPEHLD-UHFFFAOYSA-N 347.842 3.698 0 1 EHAF O=C1N(c2ccc3ncsc3c2)CCN1c1cnccc1Cl 148288561 MNQWCUSURHKAFL-UHFFFAOYSA-N 330.800 3.791 0 1 EHAF CCCCCOc1cc(C(=O)NCCc2ccncc2)ccc1OC 199804914 PTYNPSLXADNMBZ-UHFFFAOYSA-N 342.439 3.632 0 1 EHAF CC(C)(CO)CNCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 204410621 VOWCSLFEVWUIEZ-UHFFFAOYSA-N 338.373 3.876 0 1 EHAF CC(C)[C@]12CC[C@@]34O[C@@]3(CC[C@@H]3[C@]4(C)CCC[C@@]3(C)C(=O)O)[C@H]1O2 473088077 HZIONIAYUTYFBG-MXEWAXEUSA-N 334.456 3.773 0 1 EHAF Cc1c(Br)cnc2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc12 586884055 GREHMAXAXQRZJI-OUAUKWLOSA-N 346.228 3.668 0 1 EHAF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(CO)cc3)nc2c1 586895670 SMRHQCZVRUQYKY-UHFFFAOYSA-N 328.371 3.953 0 1 EHAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(CO)cc2[nH]1 587200865 AVOFIQYIGWHELD-UHFFFAOYSA-N 347.459 3.636 0 1 EHAF CCC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356795 RWHRCQGATUMYLA-MJGOQNOKSA-N 328.339 3.628 0 1 EHAF COc1cc(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O 587400944 UKOOOPZRCUJIKY-HXUWFJFHSA-N 341.407 3.648 0 1 EHAF CCOC(=O)c1ccsc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587410750 OZCYMNOKCBYGKL-CQSZACIVSA-N 331.393 3.522 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(F)cc4c1OCCC4)[C@@H](C2)C3=O 587428783 PLVQAWFCKFEDJP-VBKZILBWSA-N 340.350 3.648 0 1 EHAF 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COc1ccc2c(=O)c([C@H]3NCCc4c3sc(C)c4C)coc2c1 963013966 SHWVUVNYUWLNSS-QGZVFWFLSA-N 341.432 3.715 0 1 EHAF Oc1ccc2c(c1)[C@@H](c1cc3c(Br)cccc3[nH]1)NCC2 963342676 RRBJGJCMAOXUDR-KRWDZBQOSA-N 343.224 3.871 0 1 EHAF C/C(=C/C(=O)O)[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@H](O)[C@@]2(C)O1 1772599463 CRYQYRRTWRGNFG-PQJXZEPBSA-N 336.472 3.778 0 1 EHAF Cc1ccc(N2CCN(CC[C@@H]3C(=O)Nc4ccccc43)CC2)cc1C 1772628370 FHTCFDIRPCKGKO-FQEVSTJZSA-N 349.478 3.551 0 1 EHAF CCN(CC)CCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2 1857565424 YPQDAJZSKCQZBI-UHFFFAOYSA-N 343.423 3.698 0 1 EHAF Cc1nc(-c2ccc(F)nc2F)cn(Cc2ccc(Cl)cc2)c1=O 1911586087 QNFCNOFINXZANZ-UHFFFAOYSA-N 347.752 3.594 0 1 EHAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@@H]12)C[C@@]45C(=O)O 2356649315 IZVVICZFHFZOPG-VFMZCWFASA-N 332.440 3.795 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2CC2=CCC[C@@H](C)[C@]21C 2356690489 YVPHQKOPRGZWCY-RFZLVVEASA-N 330.424 3.873 0 1 EHAF C/C(=C/CC[C@@]1(C)c2c(c3c(C)cc(O)cc3oc2=O)O[C@@H]1C)CO 14615779 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O=C(O)c1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587950682 NOPOSLDGZFIUCE-UHFFFAOYSA-N 326.396 3.747 0 1 EHAF Brc1c[nH]c2nc(-c3ccc(OC4CCC4)cc3)nc-2n1 587951166 KCFQIIUOCKIIGM-UHFFFAOYSA-N 345.200 3.665 0 1 EHAF COc1ccc2c(c1OC)[C@H](c1c(F)cc(O)cc1F)N(C)[C@H](C)C2 962566754 IWQUFFRHOCPFMR-MLCYQJTMSA-N 349.377 3.653 0 1 EHAF S=C(NN=c1c2c([nH]c3ccccc13)CCCC2)Nc1ccccc1 1857614179 ACCSWVGAMRADDI-UHFFFAOYSA-N 348.475 3.849 0 1 EHAF C[C@H]1[C@H]2Cc3cc4sc(=N)[nH]c4cc3[C@@]1(C)CCN2CC1CC1 1857647407 RHBKARCWDMDZOJ-MAAWUACBSA-N 327.497 3.643 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356533472 GWBOIJCRVSAUMR-OCDNZBLCSA-N 333.516 3.532 0 1 EHAF Cc1cc(N2CCN(C3CCCCC3)CC2)nc2cccc(O)c12 4961207 KZNQZEDBPCRWRJ-UHFFFAOYSA-N 325.456 3.704 0 1 EHAF Cc1ccc2c(c1)C(NCC[C@H]1CCCN1C)=Nc1cccnc1N2 13492102 RUWYMWYTNJZGOU-OAHLLOKOSA-N 335.455 3.599 0 1 EHAF CCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S 13679309 YSZUXTBLAIHTCR-UHFFFAOYSA-N 338.476 3.837 0 1 EHAF Cc1ccc(-c2cc(NC[C@@H](O)CO)c3ccccc3n2)cc1Cl 13818401 GFAATVVLPKGLSN-CQSZACIVSA-N 342.826 3.629 0 1 EHAF COc1cccc(-c2n[nH]c3c2CN(Cc2cc(C)c(C)o2)CC3)c1 20137149 MLDKVIQFRMOIBM-UHFFFAOYSA-N 337.423 3.853 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ccncc2)/C1=C(\O)OC(C)(C)C 27561553 RFNWUCHLSFDAIQ-BXWAGETQSA-N 331.372 3.733 0 1 EHAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1csc2ccccc12 28466729 HLPGEFKZPDEXRU-YSGRDPCXSA-N 337.444 3.949 0 1 EHAF COCCC(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1 28571404 IKVLVCWXKRSDND-UHFFFAOYSA-N 348.406 3.862 0 1 EHAF CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@H]1CNCC1CCCC1 29128258 NXELRJXDBIVZKB-FPOVZHCZSA-N 328.500 3.593 0 1 EHAF COP(=O)(OC)O[C@@H](c1ccc(F)cc1)P(=O)(OC)OC 29224755 BJCMUYYXNMUCGG-LLVKDONJSA-N 342.196 3.728 0 1 EHAF C[C@H]1CO[C@@](Cn2ccnc2)(c2ccc3c(c2)Cc2ccccc2-3)O1 29346563 LQQIQVLTAPFYIK-YCRPNKLZSA-N 332.403 3.743 0 1 EHAF CC[C@]12CCN(CCc3ccc(F)cc3)C[C@@H]1Oc1c(O)cccc12 38141967 VVHSUUHMZLJMTM-PZJWPPBQSA-N 341.426 3.889 0 1 EHAF Clc1ccccc1O[C@H]1CCCc2ccc(N3CCNCC3)nc21 45339991 HNSZXWWGMZAANA-KRWDZBQOSA-N 343.858 3.601 0 1 EHAF COc1cc2nncc(-c3ccc(NCC(C)C)nc3)c2cc1OC 73295695 LTMJGZYFVKSSHK-UHFFFAOYSA-N 338.411 3.777 0 1 EHAF COC1CCC([C@H](C)Nc2nc(N3CCC[C@@H]3C)ncc2C)CC1 82202474 QVDIWOXSUSTKRV-JUVOFCAFSA-N 332.492 3.779 0 1 EHAF Cc1cc(C)cc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)c1 103266642 ZSJUWFAOKZZZMO-UHFFFAOYSA-N 345.346 3.704 0 1 EHAF Cc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc2c(C)n1 587110006 ZUSGFPKNGIHQRB-UHFFFAOYSA-N 335.285 3.959 0 1 EHAF Cc1cc2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc2c(C)n1 587117002 PGAFMUWXGDMOIQ-UHFFFAOYSA-N 329.713 3.647 0 1 EHAF CC(C)(C)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2n1 587118201 KROJTNMJPCXASZ-UHFFFAOYSA-N 337.349 3.713 0 1 EHAF Fc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1F 587177971 JTBAPWIVWGWLSH-UHFFFAOYSA-N 328.091 3.805 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1OC)CC2=O 587484282 XNFHOBJMEVSLNP-SFHVURJKSA-N 328.364 3.765 0 1 EHAF O=C(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)OCc1ccccc1 587781807 NNCPEOBFGPBREV-UHFFFAOYSA-N 336.178 3.551 0 1 EHAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)on1 587799459 ZKVPQILOFCAHDK-GLEZIHRCSA-N 339.208 3.682 0 1 EHAF C[C@H]1CCC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587822838 MPVRPISOHVYUJV-YNHOBRIKSA-N 340.236 3.707 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCO2)N1 587836046 YQCOOQSTUJHMGE-LYSGOOTNSA-N 328.225 3.517 0 1 EHAF CCCCC(=O)N(CCCC)[C@@H](CC)C(=O)NCc1ccccc1 2356845219 OCOSDHRXHNNAPM-SFHVURJKSA-N 332.488 3.900 0 1 EHAF COCCNc1nc(NCc2ccccc2F)c2sccc2n1 61930590 RTNLLXRDZJFQOL-UHFFFAOYSA-N 332.404 3.501 0 3 EHAF CC(C)=CCc1c(O)ccc([C@@H]2COc3cc(O)ccc3C2=O)c1O 3870706 LNXMEHXPWCVVID-INIZCTEOSA-N 340.375 3.671 0 1 EHAF biogenic,in-vitro CN1CCN([C@H]2Cn3cccc3Sc3ccc(Cl)cc32)CC1 22925209 YQXNPUPTPJOJOV-HNNXBMFYSA-N 333.888 3.595 0 1 EHAF CCN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCc1c(C)n[nH]c1-4 40584963 AOMMPEGZDRAGRC-UHFFFAOYSA-N 348.450 3.999 0 1 EHAF in-vivo COC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@]12C 40843483 SZAGBXYCBORFKQ-CEVVZUMYSA-N 334.456 3.581 0 1 EHAF Brc1ccc(Br)c2[nH]c([C@@H]3CCOC3)nc12 586910732 AERIAAVUAUOBRB-ZCFIWIBFSA-N 346.022 3.592 0 1 EHAF O=S(=O)(/C=C\c1nc2cnc3ccccc3c2[nH]1)c1ccccc1 586924652 SNHHYVDJGNXVDK-KHPPLWFESA-N 335.388 3.556 0 1 EHAF C[C@H](O)c1ncc(-c2nc3cc(Br)c(F)cc3[nH]2)s1 587022676 URSLEFUGAAYBNJ-YFKPBYRVSA-N 342.193 3.641 0 1 EHAF Cc1c(F)ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587041941 QJHBKWJJECSCOF-HZPDHXFCSA-N 327.428 3.957 0 1 EHAF CN(C)C(=O)c1ccc2nc(CNc3ccccc3Cl)[nH]c2c1 587062902 XZPFVHCQGJPJLA-UHFFFAOYSA-N 328.803 3.530 0 1 EHAF O=C(O)c1c[nH]c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2c1=O 587213230 UPGSTSKBXCMKOF-UHFFFAOYSA-N 342.354 3.540 0 1 EHAF CCCOc1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2cc1Br 587246836 PJQFHWSBQHJLIY-VHSXEESVSA-N 338.249 3.709 0 1 EHAF N[C@@H]1CC[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C1 587247287 YCTYOLYQCJUBDZ-NKWVEPMBSA-N 348.166 3.939 0 1 EHAF Oc1nc(O)c2cc3c(nc2n1)-c1ccc(SC(F)F)cc1CC3 587368693 VQEOGMVNYNCQCJ-UHFFFAOYSA-N 347.346 3.516 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCC(F)F)c1)O2 587382488 LWWGGDJNEIUVHG-MRXNPFEDSA-N 333.334 3.928 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)N[C@@H]2CCCC[C@H]21 587481888 ISKMCFUJXPFCRQ-SJBXNIEPSA-N 343.467 3.989 0 1 EHAF COC(=O)c1cc2[nH]c(C(C)(C)c3ccccc3C)nc2cc1OC 587955559 PWEXYHDZBPKPMI-UHFFFAOYSA-N 338.407 3.992 0 1 EHAF CCN(C)C(=O)Oc1cc([C@@H](C)N2CCCC2)cc2cccnc12 1857554121 IHMJSRWSSKMQQM-CQSZACIVSA-N 327.428 3.842 0 1 EHAF Cc1nc2ccccc2n1CCC(=O)Nc1ccc(O)c2ncccc12 1857597431 LKUPDFVBMOASDZ-UHFFFAOYSA-N 346.390 3.627 0 1 EHAF COc1ccc(Cl)cc1-c1cc(C(=O)NCc2cccs2)[nH]n1 61902706 RCKSIAJAKZAAOH-UHFFFAOYSA-N 347.827 3.730 0 3 EHAF O=C(c1cc2ccc(O)cc2[nH]1)N1CCC(Cc2ccccc2)CC1 9219 ZFMWSHBMGFFJML-UHFFFAOYSA-N 334.419 3.968 0 1 EHAF COc1cc([C@H]2c3cc4c(cc3C(=O)[C@@H](C)[C@H]2C)OCO4)ccc1O 5495999 PKDKRIQIMYSIFF-FDMGOTLNSA-N 340.375 3.730 0 1 EHAF CC1(C)OC(=O)C(=C2C[C@@H](c3ccccc3)c3ccccc32)C(=O)O1 5741752 XVEWMARHNVYCTF-INIZCTEOSA-N 334.371 3.812 0 1 EHAF COCCCNC(=O)c1oc2ccc3c(c2c1C)C=CC(C)(C)O3 6768117 UFYGZIXJIQAELT-UHFFFAOYSA-N 329.396 3.692 0 1 EHAF CC(=O)OCCSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 13677509 NGCOVFQZQYNLNZ-WBVHZDCISA-N 341.904 3.672 0 1 EHAF CN(C)CC[C@H](NC(=O)NCc1ccccc1)c1ccc(Cl)cc1 13684866 GWUNVBOCLNYZGJ-SFHVURJKSA-N 345.874 3.832 0 1 EHAF Cc1c(Sc2ccc(Cl)c(Cl)c2)[nH]c2nc(N)nc(N)c12 14967470 ZDGXEJGHCJAUPD-UHFFFAOYSA-N 340.239 3.889 0 1 EHAF CSCCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1 29055419 SJYPVRWGHISKJL-UHFFFAOYSA-N 330.384 3.672 0 1 EHAF CC(C)[C@@]12CC[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4C[C@H]4O[C@]43[C@@H]1O2 33495862 GXWXWLWIAJYUMM-ZVSTVBAQSA-N 334.456 3.629 0 1 EHAF CCc1nn(CCO)c(CC)c1Cc1cc(Cl)cc(Cl)c1 34028527 KATKRCCLTDJZES-UHFFFAOYSA-N 327.255 3.898 0 1 EHAF Cc1cccc(-c2cncnc2N2CCC(c3[nH]cnc3C)CC2)c1 36176409 RNYXPPQUXCPXMN-UHFFFAOYSA-N 333.439 3.868 0 1 EHAF OCC[C@@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 66258250 GQRRDQRVRCFGJQ-FQEVSTJZSA-N 341.426 3.771 0 1 EHAF CNc1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 84672379 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SAZMXYLJIGLJNE-SJKOYZFVSA-N 345.439 3.812 0 1 EHAF COc1cccc(OCc2ccc(-c3nc4c(=N)[nH]ccc4[nH]3)cc2)c1 587780945 AFSWFIWCSSQLEO-UHFFFAOYSA-N 346.390 3.625 0 1 EHAF COc1ccc(CCCc2nc3cccc(OC)c3[nH]2)cc1OC 587926321 XBRFLQHOTUHPBK-UHFFFAOYSA-N 326.396 3.764 0 1 EHAF Cc1ccc(-c2csc(NN3C(=O)c4ccccc4C3=O)n2)cc1 653700500 MIJRAEYKZPLMFD-UHFFFAOYSA-N 335.388 3.742 0 1 EHAF COc1ccc2c(c1)CCN1C[C@H]2O[C@@H]1[C@@H](F)CCc1ccccc1 1857587094 PPEZGVNEPSXGQA-PWRODBHTSA-N 341.426 3.922 0 1 EHAF OC1(CNCc2c[nH]nc2-c2cc3ccccc3o2)CCCCC1 12445195 KUZYWVSTFQKMDN-UHFFFAOYSA-N 325.412 3.608 0 3 EHAF COc1ccc(N2C(SC)=NN/C2=C2\C=Nc3ccccc32)cc1 104037083 MOKHPBBFSRTEKC-ICFOKQHNSA-N 336.420 3.824 0 3 EHAF O=C(N[C@@H](CO)c1ccc2ccccc2c1)[C@@H]1C[C@@H]1c1ccccc1 13976634 ZSCFETLRKPSUJK-NJYVYQBISA-N 331.415 3.793 0 1 EHAF O=C1C[C@H](O)C[C@H](/C=C/c2cccc3cccc(Br)c23)O1 27863738 DXIFCCAKJPUXII-NCRJZKAISA-N 347.208 3.682 0 1 EHAF CCN(CC)c1ccc(NC(=O)[C@@H]2CCc3cccc(O)c3C2)cc1 28350773 CCGQQLNYYDMYKY-MRXNPFEDSA-N 338.451 3.982 0 1 EHAF C[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccc(C(F)(F)F)cc1 29411433 HMPZQTNOBUQTRI-YGOACVGDSA-N 341.373 3.977 0 1 EHAF CN(CCCCOc1ccccc1CCc1ccccc1)CC(=O)O 29482664 LINBBHVJEQKPCK-UHFFFAOYSA-N 341.451 3.647 0 1 EHAF Cn1ccc2cc(CN3CCN(C(=O)Nc4ccccc4)CC3)ccc21 38278717 NUQGIOPLCURAIP-UHFFFAOYSA-N 348.450 3.528 0 1 EHAF CN(CCCn1c(=O)oc2ccccc21)Cc1ccc(Cl)cc1 43122135 WZVNVPLDLQEJNH-UHFFFAOYSA-N 330.815 3.770 0 1 EHAF Nc1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)cc4)c3c2)cn1 45202363 PAZQSRUMSQXGST-UHFFFAOYSA-N 330.347 3.572 0 1 EHAF CC[C@H](C)[C@@H](Cc1coc2nc(N)nc(N)c12)c1ccccc1OC 45350897 AYLKSELOGWVDPG-SMDDNHRTSA-N 340.427 3.768 0 1 EHAF CC(C)n1cc(C2=NS(=O)(=O)c3ccccc3N2)c2ccccc21 73293974 UYVBCBCWXCADCQ-UHFFFAOYSA-N 339.420 3.783 0 1 EHAF COc1ccc(-c2c3c(nc4nc(C)[nH]c(=O)c24)[C@H](C)CCC3)cc1 96906386 SJDJOMFGFRCIQD-LLVKDONJSA-N 335.407 3.742 0 1 EHAF Cc1ccc(-c2cccc(NC(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)c2)o1 102166932 VAMWDEDFRKPIHI-DTDBQYNISA-N 337.375 3.716 0 1 EHAF O=C(Nc1cc2c(=O)[nH]c(-c3ccccc3Cl)cc2cn1)C1CC1 169700070 ZQCXHWQKPBOCPK-UHFFFAOYSA-N 339.782 3.592 0 1 EHAF C[C@@]12CC[C@H]3[C@H](O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]1C=CC=C2C(=O)O 238747686 WRILDTLWEXJDTG-YZOVGUKHSA-N 344.407 3.679 0 1 EHAF COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3cccs3)cc1)N2 261148396 OJTSMYGJKFOMBK-LISAXSMJSA-N 327.449 3.812 0 1 EHAF Cc1ccc(SCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(C)c1 586964664 JCNUHRFUTHDLDB-UHFFFAOYSA-N 346.477 3.876 0 1 EHAF CN(C)[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586987131 AKTQAXSOBGBZAR-LBPRGKRZSA-N 344.414 3.571 0 1 EHAF Oc1cccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587008581 YZVLGNGZZZRQTK-UHFFFAOYSA-N 329.157 3.574 0 1 EHAF Oc1nc(NCc2ccccc2)c2nc(/C=C/c3ccsc3)nc-2[nH]1 587025588 LNPOCGBEIHJAGS-VOTSOKGWSA-N 349.419 3.854 0 1 EHAF Clc1cnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587041673 ORCCMNZPNATOKH-ZIAGYGMSSA-N 330.844 3.558 0 1 EHAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(Cl)ncnc2[nH]1 587076682 YWBLHMMMWYSKKU-UHFFFAOYSA-N 345.193 3.821 0 1 EHAF COc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(Cl)n1 587083677 FYSROSOACWFSAO-UHFFFAOYSA-N 339.685 3.608 0 1 EHAF O=C1c2ccccc2-c2c(CCNC(=O)C3CC3)cnc3cccc1c23 587104332 QISABUIFPHEGAC-UHFFFAOYSA-N 342.398 3.515 0 1 EHAF Oc1nc2cc3nc([C@@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3cc2[nH]1 587151473 HZJBARNEPMKZCP-RKDXNWHRSA-N 326.306 3.694 0 1 EHAF COc1ccc2nc(CCCNc3cc(C)ccc3OC)[nH]c2c1 587228918 JSNNKEMQYMZLOR-UHFFFAOYSA-N 325.412 3.933 0 1 EHAF O=C(/C=C\c1nc2cc(C(F)(F)F)ncc2[nH]1)Nc1ccccc1 587243180 CROUIHUDDGYXKZ-SREVYHEPSA-N 332.285 3.629 0 1 EHAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc[nH]c(=N)c2[nH]1 587247540 OAPIMCALMSCYAO-UHFFFAOYSA-N 345.406 3.785 0 1 EHAF COc1cccc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n(C)c12 587389095 FDMDFRMKLPAVTC-GOSISDBHSA-N 336.391 3.784 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1nc(-c3ccccc3)no1)O2 587394961 LXMJIOTXCHXCDO-HXUWFJFHSA-N 349.390 3.594 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(C)c1O)CC2=O 587491931 XNKHCQGOXOGGQR-KRWDZBQOSA-N 328.364 3.771 0 1 EHAF C[C@]1(c2cncs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616377 CSZHQAPXWGQDTP-MAUKXSAKSA-N 339.372 3.726 0 1 EHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(C)c3[nH]2)cc1 587784533 IFUOSVFJRGAQPJ-STQMWFEESA-N 341.798 3.863 0 1 EHAF C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C[C@H]1OC(=O)C(F)=C[C@H]1CC 1857767159 IWIHYDZFFHRRRS-BJNJABSHSA-N 342.451 3.796 0 1 EHAF C[C@@H](O)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356708203 GPIKMRAKYWCVGO-HLPMLYRLSA-N 334.500 3.566 0 1 EHAF CCOC(=O)[C@@H]1Nc2c(F)cc(C)cc2[C@H]2c3ccccc3C[C@H]12 15952463 NVUWQTLUUFNIEY-KVSKMBFKSA-N 325.383 3.796 0 3 EHAF COc1cccc([C@H]2N(c3ccc(Cl)cc3)C(=O)[C@H]3CCCN32)c1 58047603 PPXLBJNNEIGDGJ-QZTJIDSGSA-N 342.826 3.858 0 3 EHAF FC(F)(F)c1ccc(-c2ccc3c(c2)CNCc2cnnn2-3)cc1 95599327 UTYSLEJDOCRWSP-UHFFFAOYSA-N 330.313 3.556 0 3 EHAF CCCCc1c(O)c2cccnc2n(-c2ccc3c(c2)CCC3)c1=O 1536962 USSQEBLXMNFHSC-UHFFFAOYSA-N 334.419 3.923 0 1 EHAF CCN(CC)c1cccc2c1[C@@]1(O)CCC3(C[C@@H]21)OCCCCO3 1634636 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CCCCCNc1ncnc2c1nc(CC(C)C)n2C[C@H]1CCCO1 82222739 MRXRFJLCCMFKPN-OAHLLOKOSA-N 345.491 3.806 0 1 EHAF Cn1c(SCC(=O)c2ccccc2)nc2c3ccccc3nc-2c1O 100703893 NXZGXMPFKZRGLF-UHFFFAOYSA-N 349.415 3.754 0 1 EHAF C[C@@H](Cc1ccccc1)SC(=O)[C@@H](C)NC(=O)c1ccccc1 103192447 CXUIURVJZGYBRQ-LSDHHAIUSA-N 327.449 3.696 0 1 EHAF O=C1[C@@H]([C@@H](O)c2ccnc3ccccc23)CCCN1Cc1ccccc1 103271819 SORCQNVUYNZKCG-CTNGQTDRSA-N 346.430 3.707 0 1 EHAF OC1=C2C(=NC(=S)N[C@@H]2c2ccc(Br)cc2)CCC1 103949583 OPGSTZKUWBRZQY-CYBMUJFWSA-N 337.242 3.815 0 1 EHAF Nc1nc(-c2cccc(NC(=O)c3cc4cc(F)ccc4[nH]3)c2)c[nH]1 169329518 BTIXEAUUTWOSFT-UHFFFAOYSA-N 335.342 3.532 0 1 EHAF CN1[C@H]2CC[C@H]1CC(C1(O)c3ccccc3CCc3ccccc31)C2 169332783 LTPDDEGPQQMFFH-PMACEKPBSA-N 333.475 3.894 0 1 EHAF CN1[C@H]2CC[C@H]1[C@@H]([C@H](O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 169367746 FSULAQVXMVICFX-AICCOOGYSA-N 333.781 3.830 0 1 EHAF CC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@H]2C1 196481940 ZMXCLMPXNMCQSZ-IKAOOBOOSA-N 345.446 3.591 0 1 EHAF COc1ccc(Nc2cc(-c3ccccc3)nn3ccnc23)nc1OC 207375663 MMPRXLIDAZSRPM-UHFFFAOYSA-N 347.378 3.552 0 1 EHAF CC1(C)COC(c2ccc(O[C@H]3C[C@H](N4CCCCC4)C3)cc2)=N1 299849364 LFMUZUGUELETHC-SAABIXHNSA-N 328.456 3.638 0 1 EHAF Cc1ccc2c3c(cc(-c4ncnn4C)nc13)-c1ccccc1C2=O 587097374 OAEFXXGWXOTTNS-UHFFFAOYSA-N 326.359 3.550 0 1 EHAF COc1cc(F)ccc1-c1cccc(Cc2nc3cncnc3[nH]2)c1 587159531 QNHCFZFXVYTDCS-UHFFFAOYSA-N 334.354 3.758 0 1 EHAF COc1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2cc1C 587166559 DRJFLYZIMGSYMH-BQYQJAHWSA-N 325.343 3.671 0 1 EHAF Clc1c[nH]c2nc(-c3cccnc3NCc3ccccc3)nc-2n1 587229944 NBPQADIXHOVYIH-UHFFFAOYSA-N 336.786 3.632 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4[nH]c(C)cc41)[C@@H](C2)C3=O 587438642 PKZSNCUABMFJIS-BTYIYWSLSA-N 337.419 3.947 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1csc(C(C)(C)C)n1)[C@@H](C2)C3=O 587453150 UZTUJWBHTOMOBZ-ZBEGNZNMSA-N 329.421 3.938 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1ccn3C)CC2=O 587478989 XPKJLSSTSGFJGH-FQEVSTJZSA-N 325.408 3.880 0 1 EHAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 587589142 UDVHLKDUPKVMFN-PXNSSMCTSA-N 333.343 3.799 0 1 EHAF Cc1[nH]c2ccc(F)c(Cl)c2c1-n1cnc2ccccc2c1=O 587631677 HAWNUMPWOGGCEV-UHFFFAOYSA-N 327.746 3.968 0 1 EHAF Cc1nc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)co1 587774111 LMFWWILZOMYAAE-AYVTZFPOSA-N 339.208 3.682 0 1 EHAF COc1cc(OC)cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587874147 VRCIBBKBQUCBHI-UHFFFAOYSA-N 340.310 3.501 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cnc(Cl)cc1C 963634082 IYNWNVFCRCVKID-BBATYDOGSA-N 332.831 3.684 0 1 EHAF CN(C)CCNc1ccnc2cc(OCc3ccc(F)cc3)ccc12 1857563939 FMLGNOUFIXZADN-UHFFFAOYSA-N 339.414 3.926 0 1 EHAF CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1ccc(C)o1 1911582494 NYXLOZHYRUGBIY-QGZVFWFLSA-N 337.379 3.768 0 1 EHAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](C[C@H](O)C(C)=CCC1)[C@@H](C)C(=O)O2 2356796525 NIVAIWZASBWDAD-NUABRCLCSA-N 336.472 3.523 0 1 EHAF CN(C)CCCOc1ccccc1CCc1ccc(N(C)C)cc1 1552418 CYLAYWLVYLDOBG-UHFFFAOYSA-N 326.484 3.868 0 1 EHAF O=C(NCC1CCCCC1)[C@H]1Cc2c(sc3ccccc23)CN1 13833795 AGUSVDYRTJEUHT-MRXNPFEDSA-N 328.481 3.612 0 1 EHAF C=C1C=C[C@H](OC(=O)C=C(C)C)[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 14451925 HFOLERSSDUNQHX-LYNUMLOMSA-N 330.424 3.584 0 1 EHAF biogenic COc1c(-c2ccc3c(c2)OCO3)oc2c(ccc3occc32)c1=O 14677195 IGFBIJDAWSAJIF-UHFFFAOYSA-N 336.299 3.944 0 1 EHAF biogenic,in-vitro Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(N[C@H]2CCCOC2)n1 19113503 OBSWIZKOZQXGQT-INIZCTEOSA-N 349.438 3.537 0 1 EHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccc(C)o1 19314316 HAAZOGUWHRJEQU-WECAROLCSA-N 333.384 3.789 0 1 EHAF NS(=O)(=O)c1ccc(-c2ccsc2-c2ccc(F)cc2)cc1 26258752 ZOKIDNXTWRYXKQ-UHFFFAOYSA-N 333.409 3.869 0 1 EHAF CCN(CC)c1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1 28526058 YOMVNOUUJSUMKV-UHFFFAOYSA-N 343.496 3.637 0 1 EHAF CC(C)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1 29135114 YJEZILVMRUAWJY-KRWDZBQOSA-N 329.465 3.731 0 1 EHAF CN(CCO)CCCCOc1ccccc1CCc1ccccc1 29486997 ICUCFWKPTFSHMP-UHFFFAOYSA-N 327.468 3.555 0 1 EHAF Cc1noc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)n1 35929977 LEMHEWSZQBDQCZ-UHFFFAOYSA-N 326.381 3.517 0 1 EHAF O=c1c2ccccc2n2c(-c3ccccc3)nnc2n1-c1ccccc1 40896875 VHMQEYMFTIIWOO-UHFFFAOYSA-N 338.370 3.700 0 1 EHAF Nc1ncc(-c2ccc(N3CCCC3)cc2)c(-c2ccccc2O)n1 71318243 CZJUNJGKSDYVRV-UHFFFAOYSA-N 332.407 3.699 0 1 EHAF CC(C)OC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2)N1 73390555 DLPQACDNNKNHOH-RTBURBONSA-N 334.419 3.723 0 1 EHAF O=C(c1cnc(NCc2ccccc2)nc1-c1ccco1)N1CCCC1 82142735 HFKGDUHVJFPTHX-UHFFFAOYSA-N 348.406 3.585 0 1 EHAF CCCCc1nc2nc(N(CC)Cc3ccccc3)ccc2[nH]c1=O 82231732 KJMRFWGDHQPHLK-UHFFFAOYSA-N 336.439 3.687 0 1 EHAF O=C1NC(=S)[C@H](c2ccc(Cl)cc2)N1c1ccc2[nH]cnc2c1 113894479 XPTXSMOWEGMJQC-AWEZNQCLSA-N 342.811 3.815 0 1 EHAF COc1cc(-c2cc(-c3ccc(O)cc3)on2)cc(OC)c1OC 169342529 OCRPMEDMTKMMFN-UHFFFAOYSA-N 327.336 3.740 0 1 EHAF CCOC(=O)c1sc(-c2ccnc(N)c2)nc1-c1ccccc1 169342570 RASJZYQBQWRVNB-UHFFFAOYSA-N 325.393 3.631 0 1 EHAF CCCOc1ccc(-n2c(O)c3c(c2O)[C@@]2(C)C=C[C@@]3(C)O2)cc1 169690170 IGUPVQGYCXDAGE-RTBURBONSA-N 327.380 3.708 0 1 EHAF Cc1c(Cc2c(F)cccc2Cl)c(=O)oc2cc(O)cc(O)c12 205934136 LVIMLPHIYZSMDS-UHFFFAOYSA-N 334.730 3.896 0 1 EHAF C=C/C(C)=C\C=C\[C@@]1(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H](O)C(C)(C)O1 238775582 IJRHIVJLUNPRSS-BTPOKCPHSA-N 334.456 3.871 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@@H]3C(=O)O 586992203 ZNUQOOMRRBKBLR-LBPRGKRZSA-N 345.354 3.656 0 1 EHAF Fc1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007239 OUQMQCPHWAIEFU-UHFFFAOYSA-N 331.148 3.779 0 1 EHAF COC(=O)c1cc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2cn1 587033173 GFJGJDVGGKMOPK-SECBINFHSA-N 327.409 3.598 0 1 EHAF CCOc1n[nH]c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1Cl 587065454 QXGLJJCFEFVMKW-UHFFFAOYSA-N 332.578 3.707 0 1 EHAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(F)cc4[nH]3)cc2N1 587125301 RIMKKLUKAOMZSD-MADCSZMMSA-N 339.296 3.873 0 1 EHAF COc1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2n1 587136667 UZSIZQXHBRPARI-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF Nc1c(F)c(F)cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1F 587137308 YUMCMXOQBVPQNP-UHFFFAOYSA-N 332.207 3.643 0 1 EHAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cnncc3[nH]2)cc1F 587150144 KUSPNJKYGOOIRG-QGZVFWFLSA-N 338.317 3.800 0 1 EHAF CCCc1nc(-c2nc3ncc(C)cc3[nH]2)nn1-c1ccccc1F 587156281 SJHCCBUPLVQAHY-UHFFFAOYSA-N 336.374 3.606 0 1 EHAF Cc1c(Br)ccc2nc(-c3cccc(NC(N)=O)c3)[nH]c12 587242749 YZYDXLVVPHGMGP-UHFFFAOYSA-N 345.200 3.791 0 1 EHAF CC[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352787 XOWWZMWBIBYXPH-PKOBYXMFSA-N 330.355 3.685 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccccc3)c1)O2 587392353 SWTONFLXBMUATD-HXUWFJFHSA-N 333.391 3.644 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)cccc1OC)[C@@H](C2)C3=O 587424902 XMCRTDOWLQGAPY-HXPMCKFVSA-N 328.339 3.506 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](c4cccnc4)C1)[C@@H](C2)C3=O 587436175 MVYJHENCQRBLTB-GQNMWPQZSA-N 335.403 3.934 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cnc1N)CC2=O 587460741 HQKOTFHPGJGRDO-OAHLLOKOSA-N 332.787 3.682 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CO)(c1ccc(C)cc1)CC2=O 587492947 ZNNFMPHZCZXVNR-HXUWFJFHSA-N 326.392 3.506 0 1 EHAF CC(=O)NC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511214 JMMAFCPYZIPRFK-QFIPXVFZSA-N 349.430 3.562 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2F)N1 587728176 RJALIMSQBMWNLH-GLEZIHRCSA-N 339.183 3.746 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2)N1 587777770 JNSZUYGACOYOPD-MGPLVRAMSA-N 335.220 3.781 0 1 EHAF CC[C@@H]1C(=O)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587817041 HMSYBDAORGBQBJ-ZXLZKYRFSA-N 340.236 3.707 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCO2)N1 587835320 VHVTYCXOOKWBPH-NKZPBKNFSA-N 328.225 3.517 0 1 EHAF COc1ccc2c(c1)C[C@@H](c1nc3cc(OC)cc(OC)c3[nH]1)CC2 587947226 TZRKKCOINOWIMR-ZDUSSCGKSA-N 338.407 3.861 0 1 EHAF COc1nc2ccccc2cc1/C=C/c1noc(-c2cccnc2)n1 653799611 QWCAUJOIYZRZIM-CMDGGOBGSA-N 330.347 3.859 0 1 EHAF c1ccc(-c2nnn(CCCN3CCC[C@H]3c3ccccc3)n2)cc1 1857573765 SDWBIENYPTTXPL-IBGZPJMESA-N 333.439 3.567 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 2356300428 KLMHSZDBXYZWAK-INWMFGNUSA-N 340.389 3.556 0 1 EHAF CC[C@@]1(CCC(=O)OC)CCCN2C(=O)c3[nH]c4ccccc4c3[C@H]21 2356570500 KJJBKPSOHHAYCX-ICSRJNTNSA-N 340.423 3.808 0 1 EHAF O[C@@]1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCN21 13491119 GYTGCOARTYXPAX-FQEVSTJZSA-N 334.806 3.762 0 1 EHAF CC1(C)C=Cc2c(ccc([C@@H]3COc4cc(O)ccc4C3=O)c2O)O1 33838250 XCAPUWLNGWQEIS-HNNXBMFYSA-N 338.359 3.641 0 1 EHAF biogenic CCCC[C@]12C[C@@]1(C(=O)N1CCCC1)C(=O)Nc1ccc(Cl)cc12 34821574 HIVMANFBNGNVTA-MOPGFXCFSA-N 346.858 3.733 0 1 EHAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc(F)cc1 35585667 RUXSFUNAKIKHOB-ZWKOTPCHSA-N 343.398 3.816 0 1 EHAF COc1cc(CC[C@@H](O)CC/C=C/c2ccc(O)cc2)ccc1O 96934666 RDXGNAHMAOEPKS-WVMJFEGXSA-N 328.408 3.894 0 1 EHAF c1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cccnc5)C[C@@H]3N4)cc2)cc1 100107479 STHQMOCAQWUPTN-NUNAXRQHSA-N 341.458 3.688 0 1 EHAF CC(C)C[C@@H]1CC[C@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 103186678 DEIIFEDOBNMWDY-YQVWRLOYSA-N 347.890 3.978 0 1 EHAF Cc1ccc(-c2nc3ccc(C4=NNC(=O)[C@@H]5C[C@H]45)cc3o2)cc1C 139329338 CCYBZCDHHMUDBE-LSDHHAIUSA-N 331.375 3.582 0 1 EHAF CCCC[C@@H](O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCCC(=O)O 221355038 WPOLTPVJJIKMPU-MRXNPFEDSA-N 347.411 3.805 0 1 EHAF CCC[C@@H]1C[C@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@H]1N2C 253646360 NYHLSJFRSGAHTE-CXQPBAHBSA-N 329.484 3.917 0 1 EHAF C[C@H]1CCO[C@H](c2nc3ccc(I)cc3[nH]2)C1 586917844 WISAYHJOFBSBNY-UFBFGSQYSA-N 342.180 3.655 0 1 EHAF CCc1ccc(-c2nc3cccc(C(N)=O)c3[nH]2)cc1Br 586977681 PMDXWYIAPNHJPU-UHFFFAOYSA-N 344.212 3.654 0 1 EHAF Clc1ccc(CN2CCC[C@H]2c2nc3nc(Cl)c[nH]c-3n2)cc1 587073741 LWIYBIBJEJFYSS-LBPRGKRZSA-N 348.237 3.948 0 1 EHAF Cc1ccc2c3c(cc(-c4c[nH]c(=O)cn4)nc13)-c1ccccc1C2=O 587095931 AHBYGWGNRXZYEG-UHFFFAOYSA-N 339.354 3.505 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCCc4c(OC)cccc41)[C@@H](C2)C3=O 587440214 BFQJSOSBRRMMOD-HRAATJIYSA-N 336.387 3.683 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)NC(=O)OC(C)(C)C)CC2=O 587471899 WSEKGFVDVAGVMW-ZBEGNZNMSA-N 349.427 3.592 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1N)CC2=O 587473694 ZNYUJHXFPTWRFO-KRWDZBQOSA-N 327.380 3.642 0 1 EHAF Nc1cc(Cl)ncc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503022 WBTMCJTULCUEBC-MRXNPFEDSA-N 328.799 3.903 0 1 EHAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587770358 IVPWMYDEYLSVAC-MGPLVRAMSA-N 335.220 3.915 0 1 EHAF COc1cc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)ccc1F 962631158 JCGUBCGWKBQMDT-ODXCJYRJSA-N 345.414 3.817 0 1 EHAF c1coc(CN2CCc3sccc3[C@]2(CC2OCCO2)C2CC2)c1 962699915 BBCJKMAPBAWQNT-IBGZPJMESA-N 345.464 3.768 0 1 EHAF Cc1cnc(NC(=O)CCCOc2ccnc(C(F)(F)F)c2)s1 1857551811 HLBZPDIHWMEYGP-UHFFFAOYSA-N 345.346 3.663 0 1 EHAF O=C(CCNc1ccccc1Br)c1ccc2c(c1)OCO2 1911585513 ASCCPTHJPYBPSG-UHFFFAOYSA-N 348.196 3.863 0 1 EHAF CCCc1cc2c(cc1O)C(C)(C)[C@@H](CCSCCC(=O)O)O2 13453226 WTFPPBISJMFNGA-MRXNPFEDSA-N 338.469 3.981 0 1 EHAF COc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 13814454 BPVPGWYXQNAFMV-IEBWSBKVSA-N 340.442 3.760 0 1 EHAF COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)ccc1O 14956244 AYSXURJZVXBSRV-WJDWOHSUSA-N 332.359 3.889 0 1 EHAF in-vivo COC(=O)/C(=C/C[C@H]1[C@@]2(CC[C@H]3C(C)(C)CCC[C@@]31C)CO2)[C@@H]1CO1 14972928 ZLHMCXAVSLJKRX-RVDZLIMYSA-N 348.483 3.886 0 1 EHAF CC1=C2CCC=C3C(=O)OC[C@]32CCC2=C1[C@@H](c1ccoc1)OC2=O 15148277 ZDTSKNVEGNGEGL-XLIONFOSSA-N 338.359 3.548 0 1 EHAF biogenic Cc1ccc(OCc2ccccc2)c(/C=C2\SC(=O)NC2=O)c1 28369585 DXAUCUMULNFKMV-YBEGLDIGSA-N 325.389 3.898 0 1 EHAF CCOC[C@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708142 ZZEVNYNMIVJANK-HXUWFJFHSA-N 325.452 3.748 0 1 EHAF in-vivo O[C@@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)c1cncnc1 28768231 RFFUZOIHRIEKIC-KRWDZBQOSA-N 330.309 3.780 0 1 EHAF COC(=O)/C(=C/C[C@H]1[C@@]2(CC[C@H]3C(C)(C)CCC[C@@]31C)CO2)[C@H]1CO1 35950066 ZLHMCXAVSLJKRX-XCWRHDFFSA-N 348.483 3.886 0 1 EHAF CN1C[C@](O)(c2ccc(-c3ccccc3F)cc2)O[C@H]2CCCC[C@@H]21 40955379 DVRJPNBGRUZGDS-PCCBWWKXSA-N 341.426 3.911 0 1 EHAF CCC(=O)N1[C@@H]2CC[C@@H]3[C@H]1CC[C@H]2N3C/C=C/c1cccc(Cl)c1 58583721 ACRMRXLXLOKVTF-AQWMBLLYSA-N 344.886 3.969 0 1 EHAF CC(C)(CN)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1 63539659 UYGYYOIUVFMGKQ-UHFFFAOYSA-N 329.835 3.675 0 1 EHAF CSc1nn(-c2ccccc2)c2cc(OC3CCNCC3)ccc12 72176652 KJTKWSSZJXVTMQ-UHFFFAOYSA-N 339.464 3.878 0 1 EHAF COc1ccc(/C=C\c2ccc(OC(C)=O)cc2)cc1OC(C)=O 103193076 ZLVPYHIYIIZSNQ-PLNGDYQASA-N 326.348 3.716 0 1 EHAF CN(C(=O)/C=C\c1nnc(-c2cccc(Cl)c2)[nH]1)c1ccccc1 115886061 TYERJYCMQKILHA-KHPPLWFESA-N 338.798 3.801 0 1 EHAF CC(=O)C[C@@]1(O)c2ccccc2-n2ccc3c4ccccc4nc-3c21 138944428 FMBFXCZLVADMCC-OAQYLSRUSA-N 328.371 3.659 0 1 EHAF COc1cc(-c2cn[nH]c2)ccc1C(=O)NCc1ccccc1Cl 209318023 ICBYDYURLUCFTP-UHFFFAOYSA-N 341.798 3.669 0 1 EHAF O=C(N[C@@H]1CCc2c(Cl)cc(Cl)cc21)[C@H]1COc2ncccc21 213111595 PNDDUDLCJXTQSQ-DZGCQCFKSA-N 349.217 3.668 0 1 EHAF Cc1cc(-c2cc(Nc3nn(C)cc3C)nc3[nH]cc(C#N)c23)ccn1 219674933 VXEOEBNYHYCSIR-UHFFFAOYSA-N 343.394 3.591 0 1 EHAF C[C@@H]1[C@@H](C)O[C@@H]2O[C@@H](c3ccoc3)C[C@@]12c1cccc2c1OCC2=O 238767942 MXUISQQTSVGKKO-RDOHUSMWSA-N 340.375 3.635 0 1 EHAF CCOc1n[nH]c(-c2nc3ccc(CC)cc3[nH]2)c1Br 586980203 RGQBEVYVBJFART-UHFFFAOYSA-N 335.205 3.677 0 1 EHAF O=C1c2ccccc2-c2cc([C@H]3CCCNC3)nc3ccc(O)c1c23 586989914 SHUWVSKCLHPBBZ-LBPRGKRZSA-N 330.387 3.619 0 1 EHAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587088404 MPGWRDISKQIMOY-ZETCQYMHSA-N 332.276 3.726 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ncc(Cl)cc31)O2 587379034 FVXCIJKSQORCCJ-GOSISDBHSA-N 328.799 3.823 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@@H]1Cn1ccnc1)O2 587391115 POWKUNVJIYFACB-FOIQADDNSA-N 339.439 3.758 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)nc1)[C@@H](C2)C3=O 587420289 FGWKZSZKYLUGGJ-ZBEGNZNMSA-N 335.281 3.598 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4cccc4)cc1)[C@@H](C2)C3=O 587431094 MNZBAKOXPBWVLN-LAUBAEHRSA-N 331.371 3.975 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)NCCS4)[C@@H](C2)C3=O 587450617 GTFUTJSZFXSHJB-DJJJIMSYSA-N 339.416 3.702 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cnc4ccsc4c1)[C@@H](C2)C3=O 587452418 MUSZOVBVOZLIAJ-ORAYPTAESA-N 337.400 3.968 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CCC)([C@H](C)C(=O)OC)CC2=O 587478406 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CC(=O)O[C@H](C=Cc1ccccc1)C[C@@H](O)CCc1ccc(O)cc1 2356599048 MAQHCBOMAHBYCF-LEWJYISDSA-N 340.419 3.721 0 1 EHAF CC[C@@H](C)NC(=O)COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2 423305 VFNYOYPWHGVQTQ-CQSZACIVSA-N 345.439 3.648 0 1 EHAF CCCc1cc2c(cc1O)C(C)(C)[C@H](CCSCCC(=O)O)O2 13453222 WTFPPBISJMFNGA-INIZCTEOSA-N 338.469 3.981 0 1 EHAF COc1cc(/C=C/C(=O)Nc2nc3c(s2)CCCC3)cc(OC)c1 15586220 FUNCDLLJRBQKKA-BQYQJAHWSA-N 344.436 3.691 0 1 EHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CCCO)[C@@H]2O 26249050 ARJVBKAHVDGXPB-XCRSBDITSA-N 330.468 3.608 0 1 EHAF COc1cc(Nc2nncc(-c3ccccc3)n2)ccc1-c1cnco1 26272346 BONMTQVNRMHCMK-UHFFFAOYSA-N 345.362 3.946 0 1 EHAF Fc1ccc(-c2cc(-c3cnn(C4CCNCC4)c3)on2)c(Cl)c1 40424481 GRTMAMUATTYINL-UHFFFAOYSA-N 346.793 3.922 0 1 EHAF CCS(=O)(=O)c1ccc2oc(-c3cc4ccccc4cn3)nc2c1 59098621 OIJWRIQPXFKPKE-UHFFFAOYSA-N 338.388 3.837 0 1 EHAF CCc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(OC)c1 71296038 WAMZMPIWTOKMTQ-FQEVSTJZSA-N 336.435 3.983 0 1 EHAF COc1ccccc1-c1ccc2ncc(-c3ccc(CO)cc3)n2n1 74385927 JTUHIDHHYWUGAB-UHFFFAOYSA-N 331.375 3.564 0 1 EHAF CC(=O)Cc1nsc(N(Cc2ccccc2)Cc2ccccc2)n1 82051991 QAYBDVOVNCVVHN-UHFFFAOYSA-N 337.448 3.876 0 1 EHAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)CN1CCC[C@@H]1N2C 95571906 IZGIQIYGKIYHFH-LJQANCHMSA-N 337.423 3.978 0 1 EHAF Cc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3O)o2)no1 95604754 RGPLABHTYVGWKB-UHFFFAOYSA-N 334.715 3.980 0 1 EHAF CO[C@@H](C(=O)Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(Cl)cc1 117721682 GOVLTNJMPDLEMK-CRAIPNDOSA-N 344.842 3.743 0 1 EHAF Cc1ccc(Cl)cc1-n1c(O)cc(Sc2ncccn2)c1O 169691586 QGJAGFZYUIWYIN-UHFFFAOYSA-N 333.800 3.792 0 1 EHAF CC(C)(C)c1ccc(N(Cc2cccnc2)C(=O)c2cnc[nH]2)cc1 199101965 ILNVJUTXZXQYSR-UHFFFAOYSA-N 334.423 3.949 0 1 EHAF CCCC[C@H](CC)C[C@@](O)(/C=C(/CC)[C@H](O)CC(=O)OC)CC 238789607 PVKQNBZAJBAVBB-NHKXIOHVSA-N 328.493 3.994 0 1 EHAF CCCCC[C@@H]1C=C[C@@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O1 299808705 ZMUOKHRYAWJZAG-ZSXDVEMLSA-N 338.488 3.747 0 1 EHAF Clc1ccc(Br)nc1-c1nc2cc3cn[nH]c3cc2[nH]1 587005812 UMTOPTRCYLRTBT-UHFFFAOYSA-N 348.591 3.917 0 1 EHAF COc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1F 587069305 IJQDWJOMGWQBHP-NSHDSACASA-N 333.794 3.649 0 1 EHAF COc1cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1OC 587151709 TVYUCAHUCQSGEH-VIFPVBQESA-N 334.322 3.998 0 1 EHAF CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587234640 HMTJCWJMDKZYFG-VXGBXAGGSA-N 348.431 3.689 0 1 EHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cccnc4[nH]3)c2)c1 587236504 WWHXXJIEUJPIDC-UHFFFAOYSA-N 342.402 3.575 0 1 EHAF Cc1cncc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c12 587242548 VNOCQYQEEBLLHI-UHFFFAOYSA-N 340.383 3.986 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)ccc1Br)O2 587378327 UPEJFXXIHQNWJW-HNNXBMFYSA-N 348.196 3.752 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3ccnc3C)cc1)O2 587391682 TWYUGZPUGBGXIB-NRFANRHFSA-N 347.418 3.952 0 1 EHAF CC(=O)c1[nH]c(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587395317 AVRPLAXKNQMIAV-LJQANCHMSA-N 326.396 3.605 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(O)ccc31)CC2=O 587492063 WITASIOOZAHGTA-HXUWFJFHSA-N 339.391 3.642 0 1 EHAF O=C1C[C@]2(CCCc3nc(O)ccc32)Oc2c1ccc1c2CCCC1 587528309 WPPQEWSQBURKFC-NRFANRHFSA-N 335.403 3.863 0 1 EHAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3C[C@@H]2C[C@@](O)(C3)C1 587529289 MVJSBXJJVFXUQP-WGABNGDZSA-N 338.447 3.840 0 1 EHAF CCCCCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587559897 ONZKHDDCMVORBC-UHFFFAOYSA-N 325.368 3.672 0 1 EHAF COC(=O)Cc1ccccc1-c1nc2ccc(Br)cc2[nH]1 587783540 URKSNIIZGCJKEB-UHFFFAOYSA-N 345.196 3.708 0 1 EHAF Nc1cnc(-n2nc3cc2Oc2ccc(F)cc2-3)c(Br)c1 587872158 IQNALDMBYMSNGT-UHFFFAOYSA-N 347.147 3.524 0 1 EHAF COc1ccc(CCCc2nc3ccc(OC)cc3[nH]2)c(OC)c1 587928777 LDDDSTIEFZQDKY-UHFFFAOYSA-N 326.396 3.764 0 1 EHAF COc1ccc(C2(c3nc4cc(=N)[nH]cc4[nH]3)CC3(CCC3)C2)cc1 587934822 FPSYPCXTCNLPBJ-UHFFFAOYSA-N 334.423 3.629 0 1 EHAF Cc1ccn2c(CN3CCN(c4cccc(C)c4C)CC3)c(C)nc2c1 621476085 IGURNTGDTGQBJB-UHFFFAOYSA-N 348.494 3.890 0 1 EHAF CC(C)c1nn(C)c2c1[C@@](c1cccc(Cl)c1)(C1CC1)NCC2 962922032 QAZPVYHSWIZULN-IBGZPJMESA-N 329.875 3.996 0 1 EHAF Cc1ccnc2c1CCN[C@@]2(C)c1cccc(NC(=O)C2CCC2)c1 963070574 OMGOEXAPHMWHHM-NRFANRHFSA-N 335.451 3.538 0 1 EHAF Cn1nc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c2cccnc21 963126279 WJVOFBMNVRRGMT-AWEZNQCLSA-N 333.222 3.510 0 1 EHAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C[C@@H](O)c1ccccc1 1772585892 FYDXCISEJYSSCH-NRVXSKMLSA-N 337.463 3.650 0 1 EHAF CC(C)(O)[C@H]1Cc2cc([C@@H]3CCc4ccc(O)cc4O3)ccc2O1 1772626351 UJQOZIOHSJDPFO-QFBILLFUSA-N 326.392 3.533 0 1 EHAF CC(C)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1 1857746191 MJZYLOZSZJXEHY-UXHICEINSA-N 344.499 3.518 0 1 EHAF CCC=CCC=CC[C@@H]1OC(=O)CCCC=CC[C@@H](O)C=C[C@H]1O 2356663100 STBQZNSMPFUZOI-QRVBRYPASA-N 334.456 3.609 0 1 EHAF O=C(NCCc1ccccc1)c1cccc(NC(=O)C2CCCC2)c1 61936313 XKWYNYULFIZNNM-UHFFFAOYSA-N 336.435 3.788 0 3 EHAF CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 769064 NVDZDOGGAQQFMS-NVXWUHKLSA-N 328.799 3.520 0 1 EHAF C[C@@H](O[S@@](=O)C(C)(C)C)C(O)(c1ccccc1)c1ccccc1 16920743 ZGUFEPNKWFHNSZ-CMJOXMDJSA-N 332.465 3.790 0 1 EHAF biogenic COc1cc(-c2ccc3c(c2)Nc2ccc(O)cc2NC3=O)ccc1N 28710736 CAJKSJQSVCOHBH-UHFFFAOYSA-N 347.374 3.959 0 1 EHAF COc1ccccc1-c1cn2c(-c3ccccc3)c(CN)c(C)nc2n1 35979221 AEGFXJNHKPNNAZ-UHFFFAOYSA-N 344.418 3.839 0 1 EHAF CCC(C)(C)c1c2c(c(O)c3ccc(=O)oc13)C(=O)CC(C)(C)O2 42921363 KRWLRKFZFDTVOW-UHFFFAOYSA-N 330.380 3.930 0 1 EHAF COc1ccc(C[C@H](C)NC[C@@H](O)c2cccc(Cl)c2F)cc1 45202800 SVZZSMCZIHEIRF-YVEFUNNKSA-N 337.822 3.742 0 1 EHAF CCC[C@@H](C)Nc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 82161782 ACOAUPVEWYVMEF-GFCCVEGCSA-N 331.416 3.770 0 1 EHAF O=c1oc2ccc(OCc3ccccc3)cc2cc1CN1CCCC1 103271308 FXXANWSDYLOLFN-UHFFFAOYSA-N 335.403 3.968 0 1 EHAF Fc1ccc(Nc2nnnc3ccc(Cl)nc23)cc1C(F)(F)F 103272012 AEASSURHBNTASW-UHFFFAOYSA-N 343.671 3.975 0 1 EHAF Cc1ccc(-n2[nH]c(C)c(C(=O)c3ccc(Cl)cc3)c2=O)cc1 141072485 ZQSIAJFFLQVZEH-UHFFFAOYSA-N 326.783 3.667 0 1 EHAF CCC[C@@](C)(O)CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 169325106 BKQOYRTUVNHKLN-WLRLJWMZSA-N 331.500 3.858 0 1 EHAF CCOc1ccc(C2(C[C@@H](C)CCNCCCC(N)=O)CCC2)cc1 199950422 ZEFQZGJPKZZHJW-KRWDZBQOSA-N 346.515 3.778 0 1 EHAF CC(C)[C@H](CO)NCc1nc([C@H]2CCc3ccccc3C2)ccc1F 204421406 ALPSJAIIZKWIQZ-UWJYYQICSA-N 342.458 3.600 0 1 EHAF CCCCC(=O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCCC(=O)O 221356623 DAQHNFLTFVLPIX-UHFFFAOYSA-N 345.395 3.955 0 1 EHAF COc1cc([C@@H]2Oc3c(O)ccc(C(C)=O)c3[C@H]2C)cc(OC)c1O 238750707 QJCUODNUWZTFOT-DYBLOJMWSA-N 344.363 3.555 0 1 EHAF O=C1CCc2cc3nc([C@H]4SCCc5sccc54)[nH]c3cc2N1 587036773 MYBZNUTZFFGBGP-INIZCTEOSA-N 341.461 3.888 0 1 EHAF COc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587042625 UOHNTSLIPIBRQI-SJORKVTESA-N 325.437 3.518 0 1 EHAF Fc1cccc([C@H]2C[C@@H]2c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1F 587153127 WISFGVNWBMDNSG-SFYZADRCSA-N 340.255 3.873 0 1 EHAF CC(=O)c1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587157339 SOPSQWBHRXJVIA-IBGZPJMESA-N 337.354 3.696 0 1 EHAF CC(=O)N[C@H](Cc1nc2cc(F)cc(F)c2[nH]1)c1ccc(C)cc1 587206440 MNZAWNZSNAZUPS-OAHLLOKOSA-N 329.350 3.569 0 1 EHAF Nc1ccc(/C=C/c2nc3ccc(Br)c(O)c3[nH]2)cc1 587251919 RDMLKINOKRRBTC-FPYGCLRLSA-N 330.185 3.784 0 1 EHAF COc1cccc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)nc12 587395855 VBJRMDIPPHDRTP-GOSISDBHSA-N 334.375 3.841 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)C[C@H]1C)CC2=O 587488518 KJMJYJUZKWITKG-UYSIFFEZSA-N 332.396 3.570 0 1 EHAF O=C(O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587529833 FCOIIYSZSOHZHA-SFHVURJKSA-N 338.359 3.676 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)nc2)N1 587740987 ZYDFNTKHYXPVKV-GLEZIHRCSA-N 339.183 3.746 0 1 EHAF COC[C@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796320 UBKYAIZZYFSDAK-MGPLVRAMSA-N 342.252 3.764 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccnnc1 587866173 WZSBKQUTBLUAFR-UHFFFAOYSA-N 348.328 3.806 0 1 EHAF Cc1cc2c(cc1F)[C@@](Cc1ccccc1)([C@@H]1CCCNC1)NCC2 962298566 MYKPXGSPEJFIBW-DENIHFKCSA-N 338.470 3.717 0 1 EHAF Cc1cccc(C)c1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963237809 UWHXQPPIXYLUNY-AZUAARDMSA-N 332.403 3.540 0 1 EHAF CN(CCCNC(=O)c1ccc(Cl)cc1)CCc1ccccc1 1857748274 YWPSNNQVCNRFAG-UHFFFAOYSA-N 330.859 3.634 0 1 EHAF Cc1ccc(OCCCOc2ccc3c(c2)OC[C@H]3CC(=O)O)cc1 1857766430 CJWRPDJMIDWKPY-OAHLLOKOSA-N 342.391 3.794 0 1 EHAF Cc1cc(C)c2[nH]ccc2c1CN1CCCC[C@@H]1CCS(C)(=O)=O 1911583539 MCSDTZIPLULXCC-MRXNPFEDSA-N 348.512 3.574 0 1 EHAF CCN(CC)C1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccccc1 7044617 IZAHLKFCTZZZKP-CYVLTUHYSA-N 349.434 3.781 0 3 EHAF COc1cc(NC(=S)N2c3ccccc3C[C@H]2C)cc(OC)c1 13839112 SDMKNIWYWRGHEQ-GFCCVEGCSA-N 328.437 3.852 0 3 EHAF O=C(O)[C@@H]1CS[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 2472415 RFPLLRQQWKGVCB-HOTGVXAUSA-N 349.839 3.707 0 1 EHAF O=C(O)[C@@H]1CS[C@H](c2cccc(OCc3ccccc3Cl)c2)N1 2472450 AGTMYOZRLWANDT-JKSUJKDBSA-N 349.839 3.707 0 1 EHAF CSc1ccc(C(=O)[C@H]2CCCN(Cc3ccncc3)C2)cc1 12448979 IBKNHEJGBFXOOL-KRWDZBQOSA-N 326.465 3.898 0 1 EHAF CO[C@H]1Cc2ccccc2C2(CCN(CCc3ccccc3)CC2)O1 13472035 BTBOOSJKGKNIKI-OAQYLSRUSA-N 337.463 3.766 0 1 EHAF S=C(NCCCn1ccnc1)C1(c2ccc(Cl)cc2)CCC1 13679646 VVOREFRSZVGYBN-UHFFFAOYSA-N 333.888 3.966 0 1 EHAF CCN1CCN(C(C)C)[C@@H]2CCn3c(c(C)c4cc(OC)ccc43)[C@@H]21 27309161 FMZKFHZGCQOPRB-TZIWHRDSSA-N 341.499 3.818 0 1 EHAF COc1ccc2c(c1)[C@H]1O[C@@H](CN(C)C)C[C@H]1c1ccccc1O2 28524873 WTOLUTWFGQZSLB-IIMJZQEZSA-N 325.408 3.976 0 1 EHAF CCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc21 95554050 VBVXWUXOTZGHSU-UHFFFAOYSA-N 328.485 3.548 0 1 EHAF O=c1nc(-c2c(F)cccc2F)on1-c1ccc(C(F)(F)F)cc1 103177692 RAROJGFNSNVKRV-UHFFFAOYSA-N 342.223 3.790 0 1 EHAF Nc1nc(N)c2cc(Sc3ccc(Br)cc3)ccc2n1 169318731 ZVRAALLIIFQTIW-UHFFFAOYSA-N 347.241 3.708 0 1 EHAF C/C1=C\C[C@H](O)/C(C(=O)O)=C/[C@@H]2[C@@H](CC[C@@]3(C)O[C@@H]3CC1)C2(C)C 210785476 GYVWBONNSNJEBB-WTVWKVFOSA-N 334.456 3.698 0 1 EHAF Nc1nc(O)c2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]c2n1 299829880 SSIOJLKCDSCNGY-UHFFFAOYSA-N 338.317 3.858 0 1 EHAF O=C1C[C@H](c2noc3ccccc23)C(=O)N1c1ccc(Cl)cc1 299830848 YDONWMSHUXSQCE-CYBMUJFWSA-N 326.739 3.528 0 1 EHAF CCCC[C@@H](c1oc(CO)cc(=O)c1O)c1c[nH]c2ccccc12 299834677 VCDFJKZJAIDNQT-CQSZACIVSA-N 327.380 3.641 0 1 EHAF 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Cc1nn(-c2ccccc2)c2nc3nc4c(c(N)c3cc12)CCCC4 13493867 QIHOMOXYGPCBDW-UHFFFAOYSA-N 329.407 3.738 0 1 EHAF CN1C(=S)NC(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 13734155 AADLAGXMYDHEAD-UVTDQMKNSA-N 346.496 3.675 0 1 EHAF CC1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@H](c1ccc(O)cc1)CC3 14723941 MWPKKKZPSWEABN-WMZOPIPTSA-N 326.392 3.533 0 1 EHAF biogenic O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCCC1 14959113 JVFFNJBBYLKYSH-UHFFFAOYSA-N 340.814 3.961 0 1 EHAF Cc1ccc2c3c(ccc2c1)OC(=O)C[C@@H]3c1cccc(C(N)=O)c1 29151397 LCCVSUCWEOARCV-QGZVFWFLSA-N 331.371 3.688 0 1 EHAF CNCC[C@H](c1ccccc1)n1c(=O)n(C(C)C)c2cccc(F)c21 34986560 XCYJTWMYHQVABH-QGZVFWFLSA-N 341.430 3.722 0 1 EHAF CCCN1CCc2cc(O)c(NC)cc2[C@@H]1c1cccc(OC)c1 45393753 UVMFYWGOADPLNK-FQEVSTJZSA-N 326.440 3.800 0 1 EHAF Cc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl 71341599 XWSYNDMQNWWNGQ-UHFFFAOYSA-N 334.210 3.890 0 1 EHAF O=C(Nc1ccc(-n2cccc2)cc1)C(=O)c1c[nH]c2cc(F)ccc12 73140226 XNIFOSVYSDZXQN-UHFFFAOYSA-N 347.349 3.919 0 1 EHAF Cc1csc(NC(=O)c2cccc(CNc3ncccc3F)c2)n1 95755538 UPUFLDDHGOIBCZ-UHFFFAOYSA-N 342.399 3.850 0 1 EHAF O=C(c1ccc(COc2ccccc2)o1)n1ccc(-c2ccc[nH]2)n1 95755550 IHYKAYGIVOFOED-UHFFFAOYSA-N 333.347 3.739 0 1 EHAF C/C(=C/CO)CC/C=C(\C)[C@@H]1CC=C(C/C=C/C(C)(C)O)C(=O)O1 238766976 CQOVUKONUVPLCA-CXFBZHFQSA-N 334.456 3.611 0 1 EHAF biogenic CC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255202166 CIUZTBJZAMUYJU-GGTXOSAVSA-N 334.500 3.710 0 1 EHAF COc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)c(C(F)(F)F)c1 587095763 UUBJXWRTCIPRFX-UHFFFAOYSA-N 328.681 3.652 0 1 EHAF Oc1nc(S)nc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587165011 INGVISRATULBPR-UHFFFAOYSA-N 344.396 3.882 0 1 EHAF CC(=O)Nc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587392159 XNBBHZBUWDVQOL-FQEVSTJZSA-N 338.407 3.725 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(Cl)c1)[C@@H](C2)C3=O 587421457 MFHORGCJROZATF-KPZWWZAWSA-N 330.767 3.717 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-n1ccnc1C)[C@@H](C2)C3=O 587431299 NMFAZXWAJDCCGP-KKSFZXQISA-N 346.386 3.678 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1-n1ccnc1)[C@@H](C2)C3=O 587431900 RMBQFNVYGJDWHU-HRAATJIYSA-N 346.386 3.544 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(C1(C(=O)OCC)CCC1)CC2=O 587478266 FNRXAUHPBBQEKL-LJQANCHMSA-N 346.423 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(OC)c1)CC2=O 587483036 UEPOTJLKYAXSCT-HXUWFJFHSA-N 342.391 3.940 0 1 EHAF C[C@@H]1[C@H](CC(=O)O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587528517 AVNKKWWUIZUCTQ-TUXXCZFBSA-N 328.408 3.790 0 1 EHAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N(C)CCO 587626680 WEVKFIDNRSHART-UHFFFAOYSA-N 340.267 3.942 0 1 EHAF CC(=O)C[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815057 KAOUBMTWSLMBTE-XXFAHNHDSA-N 340.236 3.707 0 1 EHAF Cc1nc(C2=CCOCC2)c2[nH]nc(-c3ccc(Cl)cc3)c2n1 653699609 NVXRWBCOFXMDOK-UHFFFAOYSA-N 326.787 3.785 0 1 EHAF O=C(O)c1cc(F)cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1 963113277 QOQCZRNTKIYDCV-FUHWJXTLSA-N 329.346 3.773 0 1 EHAF CN1CCc2cn(C)nc2[C@H]1c1ccc(-c2cccc(Cl)c2)o1 963956359 XFECLAZWAUIQCU-GOSISDBHSA-N 327.815 3.911 0 1 EHAF C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C 1857767320 GFZZUAFZBKEOHV-UHFFFAOYSA-N 347.418 3.984 0 1 EHAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccccc1 1911584589 HKESLRFLDZALOB-QGZVFWFLSA-N 335.382 3.819 0 1 EHAF CC(=O)OC[C@@H]1C[C@H](C)[C@@H]2[C@H](C=C[C@@H](C)[C@H]2C=CC=CC(=O)O)C1 2356718729 FNGOIISIZQTTTM-OQOVLKHYSA-N 332.440 3.847 0 1 EHAF Cc1ccc(NC(=O)c2cc3c(=O)oc4ccccc4c3s2)nc1 211835 HZGZIPJFELVIHS-UHFFFAOYSA-N 336.372 3.963 0 3 EHAF Cc1cc(NC(=O)C2CCCCC2)ncc1NC(=O)c1ccccn1 1358251 ZUMOBHYGCJNUGK-UHFFFAOYSA-N 338.411 3.556 0 3 EHAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC(=O)N4 36387856 RVBWHVSPPRATHB-MTVNYMPZSA-N 347.499 3.831 0 3 EHAF O=C(c1ccccc1)N1OCC[C@H]1Nc1ccc(Br)cc1 1636385 MVNGJXLMVJUWNS-HNNXBMFYSA-N 347.212 3.665 0 1 EHAF CN(C)c1ccnc2sc3c(=O)n(C4CCCCC4)cnc3c12 13676122 XGWUUIBWCCASNG-UHFFFAOYSA-N 328.441 3.577 0 1 EHAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1)CO2 14819462 UYDQKAKPHFFLDY-OAHLLOKOSA-N 340.375 3.671 0 1 EHAF biogenic COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc4c(c(C)c3CC[C@H]12)CC(=O)O4 14921063 JEQZYODIZNIDJE-DZFGPLHGSA-N 342.435 3.640 0 1 EHAF biogenic CC[C@H](C)n1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 29571861 OQAURLNJGHHHBH-XYTVBORESA-N 339.483 3.967 0 1 EHAF CCc1nn(C2CCCC2)c2c1CCn1c(Cc3ccccc3)nnc1-2 34281025 SYLAYNHYQLQFKX-UHFFFAOYSA-N 347.466 3.966 0 1 EHAF O=C1NC(=O)c2c1c(-c1ccccc1)cc1oc3ccc(O)cc3c21 36161196 GTWCKDOFAQMNIF-UHFFFAOYSA-N 329.311 3.842 0 1 EHAF CC(=O)Nc1ccc(N(C(C)=O)C23CC4CC(CC(C4)C2)C3)cc1 39239931 BHQHRYHJYGUVMG-UHFFFAOYSA-N 326.440 3.967 0 1 EHAF CC(=O)Nc1cc(-c2cc(C)ccc2C)nc(-n2nc(C)cc2C)n1 42878604 LRMUCWKZKPFGOQ-UHFFFAOYSA-N 335.411 3.521 0 1 EHAF C/C(=C/CC/C(C)=C/CC/C(C)=C/CSC[C@H](N)C(=O)O)CO 71789092 BFUAGAALIMPCLW-IJXSMPQSSA-N 341.517 3.523 0 1 EHAF in-vitro CC(=N)N(C(=S)N1CCC[C@@H](CO)C1)c1ccc(C(C)C)cc1 82052080 MFFSTCLWLGPJID-OAHLLOKOSA-N 333.501 3.603 0 1 EHAF CO[C@H]1C[C@H]2C[C@H]3c4c(c5ccccc5n4C=C2[C@@H](C)O1)CCN3C 85991255 CQMHDBIUNKXEQI-VPCNSNALSA-N 338.451 3.812 0 1 EHAF COc1ccc(-c2csc(NC(=O)c3cc(C)no3)c2)cc1OC 96282752 HIHRTAYTPDEGQD-UHFFFAOYSA-N 344.392 3.981 0 1 EHAF CCCCc1nc(Cl)c(C=O)n1Cc1cc2c(cc1C)OCO2 103291659 AQNXJODAMGXRBS-UHFFFAOYSA-N 334.803 3.777 0 1 EHAF COc1cc2c(cc1OC)CC(=O)c1cc(OC)c(OC)cc1/C=C/2 104610033 QOZMAWTZZQSRHW-AATRIKPKSA-N 340.375 3.630 0 1 EHAF O=C(N[C@@H]1CCCC[C@@H]1NCc1cc2ccccc2[nH]1)c1ccccc1 169350866 FIQJTKBFNXNZJJ-LEWJYISDSA-N 347.462 3.999 0 1 EHAF CC[C@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\CCCC(=O)O 169622103 HIFJAIFWUBZVMA-KEVFVAIKSA-N 334.456 3.934 0 1 EHAF C=C(/C=C(\C)c1sc(S)nc1O)c1sc(S)nc1O 169693158 UVHSPATXRQJVIL-HWKANZROSA-N 330.481 3.705 0 1 EHAF O=N[C@@H]1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 169722220 OUJRLOZAKDFUPB-AWEZNQCLSA-N 331.169 3.803 0 1 EHAF COC1=CC(=O)O[C@@H](c2coc(/C(C)=C/c3ccc(Cl)[nH]3)n2)[C@H]1C 238784888 HVDWUEDXQDMWCX-CPGSKVSJSA-N 348.786 3.981 0 1 EHAF Cc1cc(NCc2sccc2Cl)c2cccc(C(N)=O)c2n1 473093275 SZPKJRDPYONVPJ-UHFFFAOYSA-N 331.828 3.969 0 1 EHAF COC(=O)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1OC 586886988 HDLZGOZSJGIDRU-QVKFZJNVSA-N 348.402 3.730 0 1 EHAF CCc1ccc(-c2nc3c(Cl)ncnc3[nH]2)cc1Br 586977240 JPOLYRZWJMYOHH-UHFFFAOYSA-N 337.608 3.998 0 1 EHAF CCOc1n[nH]c(-c2nc3c(C)ccc(C)c3[nH]2)c1Br 586980443 ZLOBBFFMVCINRB-UHFFFAOYSA-N 335.205 3.731 0 1 EHAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(N)ccnc2[nH]1 587044849 USEUSHVSTZMSOC-UHFFFAOYSA-N 339.182 3.531 0 1 EHAF CCOc1n[nH]c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1Cl 587065176 MAUYFPRPWAIGIB-UHFFFAOYSA-N 334.660 3.562 0 1 EHAF COc1nccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c12 587076213 QHCURYUQVHCEAY-UHFFFAOYSA-N 339.786 3.781 0 1 EHAF Clc1ccc(C2=C[C@H](c3nc4cc5cn[nH]c5cc4[nH]3)ON2)cc1 587077563 WJKXCAPEMVLXPD-MRXNPFEDSA-N 337.770 3.710 0 1 EHAF C[C@@]1(c2nc3cccc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172407 HZGOVEINRVAPDS-KRWDZBQOSA-N 330.746 3.984 0 1 EHAF C[C@@]1(c2cc[nH]n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348730 SCWUCHLBDISIIQ-MJGOQNOKSA-N 338.338 3.529 0 1 EHAF CCOC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352361 XBLUTOSDENUUMX-IEBWSBKVSA-N 330.355 3.685 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3cccn3)c(F)c1)O2 587385896 QUPKZHQXJHTBLH-SFHVURJKSA-N 337.354 3.609 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4cccn4)cc1C)[C@@H](C2)C3=O 587432974 UDAKWPSCRJJQMH-LAUBAEHRSA-N 346.386 3.678 0 1 EHAF CCc1nccn1-c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587622572 CSTMOZGZUNJOET-UHFFFAOYSA-N 344.216 3.863 0 1 EHAF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1c(Cl)cccc1Cl 621475068 XUVYMJPCHXWESO-AWPPVZKDSA-N 331.224 3.800 0 1 EHAF COC[C@H](C)[C@@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962646645 VDDCSZUVROFVAM-RBDMOPTHSA-N 336.479 3.757 0 1 EHAF CCOC(=O)N1C=C([C@@]2(C)NCCc3c2sc(C)c3C)CCC1 963029379 RQLRITNNFUSWRE-GOSISDBHSA-N 334.485 3.862 0 1 EHAF COc1ccc([C@H]2C[C@@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1OC 1772592554 LWSUMCKFRZPDBU-NTDXCCSUSA-N 336.403 3.589 0 1 EHAF CCC[C@H](O)CCCCC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1C 1857755443 QITOQUWXCAMNFM-ANULTFPQSA-N 333.516 3.774 0 1 EHAF COC(=O)C1=CC=C[C@@H]2[C@]1(CO)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 2356566682 PJHGAHSSRFVDMB-OBUJGBQQSA-N 344.451 3.913 0 1 EHAF C[C@@H](C(=O)NC1CCCC1)n1c(-c2ccncc2)nc2ccccc21 95602354 NTSPXSLXKFRYRZ-AWEZNQCLSA-N 334.423 3.718 0 3 EHAF CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4081775 ZJMMUIDDIQSLIJ-DZGCQCFKSA-N 334.828 3.582 0 1 EHAF O=C(NCc1ccccc1)c1cccc2c3c([nH]c12)[C@@H](C(=O)O)CCC3 4961250 CYWOLGJGNHFHEF-KRWDZBQOSA-N 348.402 3.602 0 1 EHAF CCCCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 13725162 GUVYZLBCTXJCBM-UHFFFAOYSA-N 347.503 3.541 0 1 EHAF CN1CCN(c2nc3ccccc3c3c2COc2ccccc2-3)CC1 13742138 DOXIMGADJYSYDB-UHFFFAOYSA-N 331.419 3.546 0 1 EHAF NCC1CCC([C@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 19401038 FSGZPJWEYRTKGC-UHYCVJNDSA-N 329.488 3.584 0 1 EHAF CN(C)C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 28972819 CEKBOFCQHHPDJK-UHFFFAOYSA-N 332.831 3.766 0 1 EHAF Cc1nn(-c2ccc(F)cc2)c(O)c1C(=O)c1ccc(Cl)cc1 35015187 UWQVVNBBYKHFJH-UHFFFAOYSA-N 330.746 3.910 0 1 EHAF CC[C@@]12CCN(CCc3ccc(F)cc3)C[C@@H]1Oc1c(O)cccc12 38141966 VVHSUUHMZLJMTM-FPOVZHCZSA-N 341.426 3.889 0 1 EHAF CCCN1[C@H]2CC[C@@H]1[C@@H](C(=O)OC)[C@@H](c1ccc(SC)cc1)C2 45261860 AOCFDQDGDIOFRW-HPBDAGMYSA-N 333.497 3.928 0 1 EHAF CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccn[nH]1 45291676 WECTZTUUKXNETR-CYBMUJFWSA-N 347.893 3.580 0 1 EHAF COc1cc2c(cc1OC)-c1cc(-c3ccccc3)cc(=O)n1CC2 96935348 BTNQUEWFWVAAPE-UHFFFAOYSA-N 333.387 3.756 0 1 EHAF O=c1cc(-c2ccc(-c3ccccc3)cc2)oc(N2CCOCC2)c1 101122139 MIZPDLBPZZKHCN-UHFFFAOYSA-N 333.387 3.810 0 1 EHAF in-vivo CC(=O)OC[C@]12CO[C@H]3c4ccccc4O[C@@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C 101138348 YMPPYMYJLCYPBO-XBRZYVMESA-N 330.424 3.751 0 1 EHAF CC(C)=CCC/C(C)=C/CNCCNC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 101871264 IZPXQAAGSHQWQM-HIQMKODHSA-N 346.559 3.798 0 1 EHAF O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OC1CCCCC1 115892365 PITXUZVVIVEIOX-KTKRTIGZSA-N 331.803 3.945 0 1 EHAF CC(C)Oc1cc(N2C(=O)[C@@H]3CCCC[C@H]3[C@@H]2O)c(F)cc1Cl 169305725 MMUUDHLSBKLFHY-UVWXRNBGSA-N 341.810 3.738 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COC(=O)CCCn1ccc2c3cc(Br)ccc3nc-2c1 377833971 NTOXMAJNSLSFKY-UHFFFAOYSA-N 347.212 3.857 0 1 EHAF Cc1ccc2ccccc2c1-c1nc2ccc(-n3cnnn3)cc2[nH]1 586884693 XGWZKODAVNDTDJ-UHFFFAOYSA-N 326.363 3.667 0 1 EHAF Oc1cccc(CCCCc2nc3cncc(Br)c3[nH]2)c1 586896269 NRRYHLNZXXMFBO-UHFFFAOYSA-N 346.228 3.991 0 1 EHAF Cc1cnc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2c1 586900376 HSOQYYMVVPCMPP-UHFFFAOYSA-N 333.347 3.918 0 1 EHAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587027882 IOWSSARRJXSTOM-HNNXBMFYSA-N 338.396 3.714 0 1 EHAF COc1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 587080893 HANUCFHXEXZGJA-UHFFFAOYSA-N 329.787 3.826 0 1 EHAF Oc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587126996 JVUOZBUSTHGIGG-UHFFFAOYSA-N 334.257 3.710 0 1 EHAF Cc1cc(-c2nc3cnncc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144994 PVPFADUHPHLINH-UHFFFAOYSA-N 348.337 3.833 0 1 EHAF Cc1cnc2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 587168443 WJSBVLQCVYSNKM-HNNXBMFYSA-N 339.374 3.774 0 1 EHAF CCOC(=O)c1[nH]c2c(c1C)-c1nc3cccc4c3c(c1CC2)CC4 587211660 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1 EHAF CCc1cccnc1[C@@]1(C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962619984 HYNRPMJKARPTDM-SPLOXXLWSA-N 340.467 3.801 0 1 EHAF CCOC(=O)c1cc2cc([C@H]3NCCc4c(C)ccnc43)ccc2o1 963075184 RFKSMCLVUIKAHR-GOSISDBHSA-N 336.391 3.548 0 1 EHAF CCCc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)s1 963511079 SWYKZFMHUWTMPU-HNAYVOBHSA-N 345.464 3.577 0 1 EHAF CN(C)C(=O)Cn1ccc2ncc(-c3ccc(F)c(C(F)F)c3)cc21 1857597006 DNBUFJYOCPLTQY-UHFFFAOYSA-N 347.340 3.868 0 1 EHAF COc1cc(F)ccc1-c1ccnc(Nc2ccc(C(=O)O)cc2)n1 1857763122 REBRCFSKMUTQDS-UHFFFAOYSA-N 339.326 3.733 0 1 EHAF CC(=CC[C@H](O)C(C)=CCO)CCC=C(C)[C@@H]1CC=C(C)C(=O)O1 2356348678 AQSHRPRBLNBKLZ-OALUTQOASA-N 334.456 3.611 0 1 EHAF CC1=CCC[C@@]2(C)[C@H](CC3=C(C)C(=O)O[C@]3(O)C1)[C@@]1(C)CC[C@H]2O1 2356436975 CBMQMSLEHCTTCY-KRFUXDQASA-N 332.440 3.642 0 1 EHAF CCN(CC)[C@H](c1ccc(F)cc1)c1nnnn1C1CCCCC1 4190589 QJAPSJNDLPSYOR-QGZVFWFLSA-N 331.439 3.749 0 3 EHAF CCc1cc(OC)c(OC)cc1[C@@H](C)NC(=O)c1ccc(OC)cc1 356791 YENBFWVQXKROQU-CYBMUJFWSA-N 343.423 3.766 0 1 EHAF CNC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12 13474366 PKNOILZDEOADOM-UHFFFAOYSA-N 338.407 3.504 0 1 EHAF Nc1cccc(-c2ccc(OCCN3CCCC3)c3c2CCCC3)n1 13559831 ZMWHHNZCXGTSLB-UHFFFAOYSA-N 337.467 3.684 0 1 EHAF C=C1C(=O)O[C@H](c2ccoc2)C[C@@H]1[C@]1(C)CCC[C@]2(C)C(=O)OC[C@@H]21 14928919 XDJOYTCNWGGBMI-HGDKKCICSA-N 344.407 3.810 0 1 EHAF biogenic CCC(=O)c1ccc(O)c(C(=O)Nc2ccc(Br)cc2)c1 28245229 YUXDCZHNHPFZBQ-UHFFFAOYSA-N 348.196 4.000 0 1 EHAF CC(=O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 39205632 CIUZTBJZAMUYJU-WBODHPSISA-N 334.500 3.710 0 1 EHAF CCOc1ccc([C@@H]2C[C@@H]2c2nnc3c4ccccc4cnn23)cc1 49055429 ZKIVPTMNBDORCE-ROUUACIJSA-N 330.391 3.947 0 1 EHAF Fc1ccc2nc([C@@H]3CCN(Cc4ccc(F)c(F)c4)C3)[nH]c2c1 51076687 VREBLQOOFYXCOJ-GFCCVEGCSA-N 331.341 3.970 0 1 EHAF biogenic CNS(=O)(=O)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 59096920 OMSGDGCRLHEYJX-UHFFFAOYSA-N 338.388 3.556 0 1 EHAF Cc1ccc2nc([C@H]3CCCN(Cc4ccccc4)C3)[nH]c(=O)c2c1 71983730 GRGLUODFAXUGPR-KRWDZBQOSA-N 333.435 3.611 0 1 EHAF Clc1ccc(-n2ccc(OCCN3CCCC3)n2)cc1Cl 95555278 WZWRZEMDVNTYDE-UHFFFAOYSA-N 326.227 3.654 0 1 EHAF CCc1[nH]c2nc(Sc3cccnc3)nc(Cl)c2c1C(C)=O 95587570 OXAKVRRUGFNMHV-UHFFFAOYSA-N 332.816 3.923 0 1 EHAF NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 101366378 ZKZMTIDHRGLEJP-OPVJXMOQSA-N 342.483 3.740 0 1 EHAF C[C@@H](CO)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@H]3CC[C@]12C 169338189 VQISOTOPDCGBAH-DNRPIUGTSA-N 349.515 3.924 0 1 EHAF CN1CCO[C@](O)(c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)C1 473121936 RBNURSLEXXNDCQ-NRFANRHFSA-N 325.452 3.758 0 1 EHAF CC(=O)N[C@@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586996877 QQQFAPSCTBCZPQ-LBPRGKRZSA-N 330.387 3.952 0 1 EHAF Sc1nnc(SCc2nc3ccc4ncccc4c3[nH]2)s1 587025304 KVYKTUNZGLQRLN-UHFFFAOYSA-N 331.451 3.544 0 1 EHAF Cc1nc2[nH]c(CCc3scnc3C)nc2cc1Br 587027219 RETNSAUJLCZHNF-UHFFFAOYSA-N 337.246 3.579 0 1 EHAF CC(C)COc1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2cc1Br 587126776 YODNUDFQHGOMMP-OQPBUACISA-N 344.228 3.718 0 1 EHAF Cc1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1C 587194501 VAHQKHVOWKENOD-AWEZNQCLSA-N 346.475 3.697 0 1 EHAF c1ccc(-n2nnnc2SCc2cc3c4c(cccc4n2)CC3)cc1 587216699 KCQSVMMWGZQJFW-UHFFFAOYSA-N 345.431 3.601 0 1 EHAF COC(=O)c1cc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2cn1 587250114 HJLPLYQTKNIBKK-UHFFFAOYSA-N 344.374 3.661 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(CN3CCCC3)c1)O2 587397288 ZIRAJAQHRWXHJP-HXUWFJFHSA-N 336.435 3.880 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C3CC3)nn1C)CC2=O 587475743 OLMOSRUQWWTDIF-SFHVURJKSA-N 326.396 3.662 0 1 EHAF Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)F)n1 587505482 LHTONHDVYNTTLI-HNNXBMFYSA-N 332.350 3.943 0 1 EHAF COC(=O)c1cc2[nH]c(COc3cc(C)cc(C)c3)nc2cc1OC 587565154 YYCAAJLFQCEUTE-UHFFFAOYSA-N 340.379 3.554 0 1 EHAF Brc1nccc2nc(COC/C=C/c3ccccc3)[nH]c12 587781954 ZTPJZLPZZOUIGK-QPJJXVBHSA-N 344.212 3.950 0 1 EHAF CN1CCN(c2ccc3nc(CC4CCCCCC4)[nH]c3c2)CC1 587961485 UCONLBZHCVHAIK-UHFFFAOYSA-N 326.488 3.828 0 1 EHAF O=C(O)CCCCONC1=C[C@H](c2cccc(Br)c2)C1 957574188 RMKVXCLWNOUGSJ-LBPRGKRZSA-N 340.217 3.596 0 1 EHAF CN1C(=O)C[C@H]2CN[C@](C)(CCc3ccccc3F)c3cccc1c32 963036588 UIUXDLCTBLCSPC-YCRPNKLZSA-N 338.426 3.727 0 1 EHAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1cnnn1-c1ccccc1 963092480 AYDCWSQVOZJYFL-FXAWDEMLSA-N 334.398 3.516 0 1 EHAF Oc1cccc(C2C[C@H]3CC[C@H](C2)N3C[C@@H](O)Cc2ccccc2)c1 1772645841 QOOMWRCPEQBILM-SJBKTWHCSA-N 337.463 3.706 0 1 EHAF Oc1nc(SCCN2CCCC2)nc2c1sc1ccccc12 1857570618 GLWUIBZTIJSJPW-UHFFFAOYSA-N 331.466 3.738 0 1 EHAF CCCNC(=O)[C@]1(C)CCN(CCCC(=O)c2ccc(C)c(C)c2)C1 1857593327 AUZAEIZBOJTEIU-OAQYLSRUSA-N 344.499 3.505 0 1 EHAF C=CC(C)=CC=C[C@]1(C)C[C@H](OC(=O)C(C)=CC)[C@H](O)C(C)(C)O1 2356541278 IJRHIVJLUNPRSS-ABSDTBQOSA-N 334.456 3.871 0 1 EHAF CC(=O)OCCC=CC=CC=CCCc1ccc(OC(C)=O)c(O)c1 2356615851 LWFIOBDHPWBWRA-UHFFFAOYSA-N 344.407 3.872 0 1 EHAF CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)c1cn(C)c2ccccc12 2356761428 HGUWLMAJNIIWLA-APWZRJJASA-N 339.483 3.515 0 1 EHAF C[C@H]1Oc2c(c(O)cc3oc(=O)cc(-c4ccccc4)c23)C(=O)[C@@H]1C 1617584 DLUPGSAQAPMEDY-GHMZBOCLSA-N 336.343 3.765 0 1 EHAF COc1ccc2cc(C(=O)NCCc3ccccc3)ccc2c1OC 1642257 FEAWYMCBPYEOQN-UHFFFAOYSA-N 335.403 3.830 0 1 EHAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4055525 LPQDHYUYVRBAOE-NVXWUHKLSA-N 346.814 3.941 0 1 EHAF COc1cc2occc2c2c1[C@@H](O)C[C@](OC)(c1ccccc1)O2 13460311 JJNUOQQTGRIGHV-IFXJQAMLSA-N 326.348 3.757 0 1 EHAF biogenic C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CCC(=O)O)[C@@H]2O 13558449 AXFDKEXNHDWHFN-CENYIQGUSA-N 344.451 3.700 0 1 EHAF Oc1ccc(C2(O)CCN(CCCCc3ccccc3)CC2)cc1 13805763 GWFIUFJXZVTKCH-UHFFFAOYSA-N 325.452 3.699 0 1 EHAF COc1cc([C@@]2(C)[C@@H]3[C@H](C=C[C@H]2C)CCC[C@H]3C)oc(=O)c1CO 14711139 PERPSPRSLXTSHY-WCJXETNOSA-N 332.440 3.657 0 1 EHAF biogenic Cc1ccnc2c1ncn2-c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 26405043 OPMIQGMTRGXAQY-MRXNPFEDSA-N 345.450 3.847 0 1 EHAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)CC[C@H](c2ccccc2)O3)S1 26976733 VIWRFPMUWAORQS-NVXWUHKLSA-N 339.416 3.647 0 1 EHAF O=C(CCc1cc[n+](Cc2ccccc2)cc1)c1ccc2c(c1)OCO2 28393548 CGPFCMGYTPXYSJ-UHFFFAOYSA-N 346.406 3.567 0 1 EHAF O=C1CC[C@H](c2ccccc2)C(=O)/C1=N\Nc1ccc(Cl)cc1 33686212 DFCXNGHPYRBXCX-OVFHLDOESA-N 326.783 3.824 0 1 EHAF COc1ccc(Cn2nc(C)cc2CC(=O)c2ccccc2F)cc1 45257333 OSDUMEAGZPCNAK-UHFFFAOYSA-N 338.382 3.813 0 1 EHAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncn3)cc2)c1 63298500 MBRVCJRFWYHVHE-CQSZACIVSA-N 333.391 3.643 0 1 EHAF O=C1NC(=O)c2cc(SCc3ccc(Br)cc3)ccc21 95575621 VWQLWWBXGIQDME-UHFFFAOYSA-N 348.221 3.625 0 1 EHAF COC1(C(=N)/C=C(\O)OCc2ccc3ccccc3c2)CCOCC1 100934492 BYDYNEDHYFWTSC-ZTUCLXDJSA-N 341.407 3.971 0 1 EHAF CCc1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O 113738023 QYTQOILSBHTRPD-UHFFFAOYSA-N 331.375 3.824 0 1 EHAF Cc1n[nH]c(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)n1 143350585 XYFUMLHEKGBRJC-MRXNPFEDSA-N 331.297 3.559 0 1 EHAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC(F)(F)CC4)c23)c1 210756202 QSSCZIVWHWTPLQ-UHFFFAOYSA-N 339.349 3.732 0 1 EHAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 586906694 GIWWPWWICKSLRJ-SSDOTTSWSA-N 336.178 3.846 0 1 EHAF CCOc1n[nH]c(-c2nc3cc(OC)c(Cl)cc3[nH]2)c1Cl 587065260 MYPYQXJUYCLPKI-UHFFFAOYSA-N 327.171 3.667 0 1 EHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)ccnc2[nH]1 587114391 SUPPOPTWGRAMMP-NSHDSACASA-N 340.736 3.873 0 1 EHAF FC1(c2nc3cc(I)cnc3[nH]2)CCCCC1 587132099 JVMYOZGVUIYOCF-UHFFFAOYSA-N 345.159 3.691 0 1 EHAF Fc1ccc(/C=C/c2nc3nc(Br)c[nH]c-3n2)c(F)c1 587148235 GVYFNCRXOCZJBT-DUXPYHPUSA-N 337.127 3.516 0 1 EHAF CC[C@H](C(=O)c1coc2ccccc12)N1C(=O)c2ccccc2C1=O 587280637 OJTWZVJJGSGINY-MRXNPFEDSA-N 333.343 3.690 0 1 EHAF C[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354822 RSTSJQMEQXSBDA-IEBWSBKVSA-N 344.338 3.514 0 1 EHAF CCOC(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399064 HNPXWIAUDFZBEL-HXUWFJFHSA-N 339.391 3.635 0 1 EHAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccc(C)c1)[C@@H](C2)C3=O 587427864 GRGWKSSTUZZCDT-ISUMYKINSA-N 349.430 3.722 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)ccc1N)CC2=O 587468542 VYXSBVAKTHPXGH-LJQANCHMSA-N 329.371 3.947 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(CCN1CCCCC1)CC2=O 587476556 VMETYYVMJOZOSY-FQEVSTJZSA-N 331.456 3.945 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cncc(OC)c1)CC2=O 587487510 FYJXSBSVZNJGRS-LJQANCHMSA-N 327.380 3.629 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2n[nH]cc21 587488105 YFWXDOHGGABVKZ-HXUWFJFHSA-N 340.423 3.901 0 1 EHAF Cc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585137 BJEMGBPICSDWOT-YLJYHZDGSA-N 333.343 3.799 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cn2)N1 587735310 TULWCGWMLYMOKV-VXJOIVPMSA-N 339.183 3.746 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CCOCC2)N1 587834242 KJHYRSDJTRYKCD-QLJPJBMISA-N 342.252 3.980 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ncccn1 587866127 UDPZITGRHKCLMD-UHFFFAOYSA-N 348.328 3.806 0 1 EHAF O=C(Nc1ccccc1)c1cc2cc(CN3CCCC3)ccc2oc1=O 653807443 CMTWFSWGWNRIJI-UHFFFAOYSA-N 348.402 3.641 0 1 EHAF Cc1ccc2c([C@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)cn(C)c2c1 963015328 ARKQXZMUOJDTRT-PEBXRYMYSA-N 345.446 3.629 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1c[nH]c2cccnc12 963051951 ZPNBJDHLTYBENY-OAQYLSRUSA-N 344.418 3.529 0 1 EHAF C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@]45C[C@@H]4CC[C@]35C)[C@H]1CC[C@]21C=CC(=O)O1 2356311984 OUBYDRMNFCCAQT-GJVBVCEBSA-N 342.479 3.852 0 1 EHAF COC(=O)C[C@]1(C)CC[C@]2(OC(=O)C[C@H]3C(C)(C)CCC[C@@]32C)O1 2356529411 GLAMGKFUSHSJAV-VKOGCVSHSA-N 338.444 3.594 0 1 EHAF COC(=O)C[C@]1(C)CCC[C@]2(C)[C@@H]3Cc4occc4C[C@H]3CC[C@@]12O 2356713767 RJICMYVKEJSBBD-WWLPJLAXSA-N 346.467 3.895 0 1 EHAF Cc1cc(NC(=O)C(C)C)ncc1NC(=O)CCc1ccccc1 1358433 RHFDKYZOMLSGIY-UHFFFAOYSA-N 325.412 3.556 0 3 EHAF Cc1ccc2c(c1)C(NCCc1ccccn1)=Nc1cccnc1N2 13492098 OTWVRWHEDUJUNV-UHFFFAOYSA-N 329.407 3.753 0 1 EHAF COc1ccc([C@@H](c2cc3ccc(OC)cc3o2)n2cncn2)cc1 13680624 VUWROJIVKURNQN-IBGZPJMESA-N 335.363 3.679 0 1 EHAF O=C1C[C@H](Cc2ccccc2)N1C(=O)N(Cc1ccccc1)C1CC1 13780511 CJDUZWWQKKNONW-IBGZPJMESA-N 334.419 3.615 0 1 EHAF O=C(O)CCCc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 26569321 QCFLHDASRDKHOM-UHFFFAOYSA-N 339.391 3.696 0 1 EHAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)Nc1cccc2ccccc12 28356277 AAQQVHNGCQHCLQ-IBGZPJMESA-N 334.419 3.671 0 1 EHAF CC1(C)CC(=O)c2c(n(-c3ccc(C(N)=O)cc3)c3ccccc23)C1 29046374 HAWFVCPAKHOCKH-UHFFFAOYSA-N 332.403 3.885 0 1 EHAF CCN(CC)c1ccc2cc([C@H]3N=C4C=CC=C[C@@H]4N3C)c(=O)oc2c1 29051219 ZTKCNFMXIMBKTG-ICSRJNTNSA-N 349.434 3.519 0 1 EHAF COCOCc1cc(OC)ccc1-c1cc2cc(C)ccc2c(=O)[nH]1 40394886 NPHYMPWZTDIZOQ-UHFFFAOYSA-N 339.391 3.633 0 1 EHAF O=C(O)CCN[C@@H]1CC[C@@]2(Cc3ccccc3Cc3ccccc32)C1 43202656 NWCYKTKORNLIRC-DENIHFKCSA-N 335.447 3.688 0 1 EHAF O=C1CSC(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)=N1 73310359 RSCOISQCBWSURO-MRXNPFEDSA-N 339.395 3.606 0 1 EHAF CC1=Nc2ncnn2[C@H](c2ccco2)/C1=C(\O)OCc1ccccc1 101483303 HPOVACSFWJBXBH-IBOXJLQUSA-N 336.351 3.553 0 1 EHAF aggregator O=c1c2c[nH]c3ccc(F)cc3c-2nn1-c1nc2ccccc2s1 102828886 NQERAIUYALSXLO-UHFFFAOYSA-N 336.351 3.567 0 1 EHAF COc1cc2ccc([C@@](O)(c3ccncn3)C(C)C)cc2cc1OC 144634728 RBYAUFGMTNJMOR-HXUWFJFHSA-N 338.407 3.539 0 1 EHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccco3)cc2)C[C@@H]2CC[C@@H]1N2C 169353146 JHSDPTHVDPIYLW-MJQMVNBJSA-N 325.408 3.686 0 1 EHAF CCCCC[C@@H]1C=C[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O1 299808702 ZMUOKHRYAWJZAG-IEWDOMPSSA-N 338.488 3.747 0 1 EHAF CC1(C)OC(=O)C[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 586910885 QKDQNZUUVJKLMQ-CQSZACIVSA-N 336.391 3.951 0 1 EHAF Cc1cc(Br)ccc1OCc1nc2cccc(O)c2[nH]1 586980680 DITRJJYZOAWLCX-UHFFFAOYSA-N 333.185 3.918 0 1 EHAF Cc1cc(Cl)ccc1OCCCc1nc2cccc(C(N)=O)c2[nH]1 587066349 LYGQHNPWUQTFMW-UHFFFAOYSA-N 343.814 3.635 0 1 EHAF COc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1F 587082529 RMMMGTMEMCZDFN-UHFFFAOYSA-N 347.777 3.965 0 1 EHAF CC(C)OC(=O)C1(c2nc3cnc4ccccc4c3[nH]2)CC(F)(F)C1 587131317 DWDCLFMHEVBBCN-UHFFFAOYSA-N 345.349 3.730 0 1 EHAF COC(=O)c1cccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587151479 IBJLNFJTXMRTJI-VXGBXAGGSA-N 328.318 3.899 0 1 EHAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ncc[nH]c-3n2)cc1F 587151950 VWBWEFZVELTUIU-HNNXBMFYSA-N 338.317 3.751 0 1 EHAF CC(C)(C)CC(=O)c1c(CO)oc2cc(Br)cnc12 587273970 QUEBOKRVXVDLER-UHFFFAOYSA-N 326.190 3.702 0 1 EHAF O=C1c2ccc(O)cc2O[C@@]2(CCCOCC2)[C@H]1c1ccc(F)cc1 587355151 CMFDZAMKAQERIB-AZUAARDMSA-N 342.366 3.830 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1C(=O)OC(C)(C)C)O2 587392330 YTHGLVWJRCWFEX-MRXNPFEDSA-N 342.395 3.868 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H]1CCOC1)(c1ccccc1)O2 587407852 FERDLNXGVDVFCW-BTYIYWSLSA-N 337.419 3.865 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(s1)C[C@@H](C)CC3)O2 587414650 NYNDZRGENDXAQY-VFZGTOFNSA-N 328.437 3.865 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ncc(Cl)cc1Cl)[C@@H](C2)C3=O 587417594 CPJGCLWCPGVGDU-MGPLVRAMSA-N 336.174 3.886 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(C)(C)O)nc1)CC2=O 587484874 GTPZXCPLKBATMU-QGZVFWFLSA-N 341.407 3.674 0 1 EHAF CCOC(=O)Cc1ccc2nc(COc3cccc(C)c3C)[nH]c2c1 587563950 KQWQPGLKWCAHOH-UHFFFAOYSA-N 338.407 3.864 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cnccc12 587584457 AEJFIZYJDUCIEC-RXVVDRJESA-N 345.354 3.591 0 1 EHAF CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2cccc(F)c12 587635604 OJIFAPQWWSMDBX-UHFFFAOYSA-N 334.391 3.886 0 1 EHAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 587796873 QWORBABULPRHGW-NXSYQRQQSA-N 325.181 3.508 0 1 EHAF C[C@H]1CCC[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587823632 QKTVBQNLHLTDFB-IEVXNVSRSA-N 340.236 3.707 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncs2)N1 587852114 DDQVPKNYYIRDDT-UHLUBPPHSA-N 327.222 3.668 0 1 EHAF NC(=O)c1cccc(-c2cn(CCC(F)F)c3cc(CO)ccc23)c1 1857549966 RHULUCAEITWUQV-UHFFFAOYSA-N 344.361 3.555 0 1 EHAF CCCCOc1cccc(CNc2ccc(F)c(C(N)=O)c2F)c1 1857553551 MIXALFXDOLXUDC-UHFFFAOYSA-N 334.366 3.855 0 1 EHAF Cc1nc(-c2cccc(O)c2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1 1857576338 WGJUEWZFDVEKCO-UHFFFAOYSA-N 334.379 3.501 0 1 EHAF Cc1cc2nc(-c3cc4cc5c(cc4nc3O)OCO5)[nH]c2cc1C 1857651447 KRPZDUIIGIOENO-UHFFFAOYSA-N 333.347 3.829 0 1 EHAF CC(=O)CCCCCCCCCCCC[C@@H]1CC[C@H](O)[C@@H](CO)N1 2356470700 DIMNETMAIUHJFR-AQNXPRMDSA-N 341.536 3.730 0 1 EHAF CCC1=CCCN(CC[C@@H]2c3ccccc3N[C@@H]2[C@H](C)C(=O)OC)C1 2356555055 HJKVRGWAXPVPRV-QKYXUNIQSA-N 342.483 3.806 0 1 EHAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(F)cc1 2356707377 UBVUVNFFNOHXDY-YQVWRLOYSA-N 333.447 3.679 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNCc1ccc(OC(F)(F)F)cc1 2356844467 NVHZDUYRDNEKQQ-PMPSAXMXSA-N 342.405 3.795 0 1 EHAF Cc1cccc2cc(CN(Cc3ccccc3)C(=O)N(C)C)c(=O)[nH]c12 8586301 MPDJYVJPGXWVMI-UHFFFAOYSA-N 349.434 3.520 0 3 EHAF O=C(c1cc(F)ccc1F)[C@@H]1CCCN(C(=O)c2cccs2)C1 13593662 JMYCFGNKBHAUQA-LLVKDONJSA-N 335.375 3.761 0 3 EHAF COc1cccc(Nc2nc([C@@H](N)Cc3ccc(F)cc3)cs2)n1 61930400 TXCPZCUGFOQEKI-ZDUSSCGKSA-N 344.415 3.672 0 3 EHAF COc1ccccc1-c1nc(NCCc2cnc[nH]2)c2ccccc2n1 4239399 XAVLJFAYWPZNPS-UHFFFAOYSA-N 345.406 3.683 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1C[C@@]2(C)CC[C@H](C(C)C)[C@]2(O)CC[C@@]1(C)O 13432098 SARMJLPHTLNPQI-PCHLDSCXSA-N 338.488 3.603 0 1 EHAF COc1cccc(-c2nc3ccc(N4CCCCC4)cc3c(=O)[nH]2)c1 13835242 ITDPRFDBDKNVET-UHFFFAOYSA-N 335.407 3.589 0 1 EHAF COC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 34801391 IVJOAORQVUYFDW-DECOSHEFSA-N 347.499 3.639 0 1 EHAF COc1cc2ncnc(Nc3ccc4c(C)n[nH]c4c3)c2cc1OC 40408188 GZELITDCOZGUPD-UHFFFAOYSA-N 335.367 3.575 0 1 EHAF C[C@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 40685553 IGTBWNRPQOIMSD-VHFVMGIOSA-N 347.499 3.845 0 1 EHAF Cc1cc(OC(F)(F)F)cc2c1O[C@@H](C(F)(F)F)C(C(=O)O)=C2 64540014 JOBQMBHNCXPGBC-SNVBAGLBSA-N 342.191 3.685 0 1 EHAF Nc1nc2c(Br)cccc2c2cn(-c3ccccc3)nc12 72176851 SLWCWKWNMJXFFV-UHFFFAOYSA-N 339.196 3.918 0 1 EHAF Cc1cccc(-c2csc(N3CCC[C@H]3C(=O)NC(C)C)n2)c1 82191952 RHYXBLVSPPIEBV-INIZCTEOSA-N 329.469 3.612 0 1 EHAF CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1CC(=O)N(C)C 96906112 JBHSXTSTBKHWGT-QMTMVMCOSA-N 339.483 3.592 0 1 EHAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)N1CCCC1)[C@@H](c1ccc(Cl)cc1)C2 100949876 FDJNTRXHKYKJDR-BRSBDYLESA-N 332.875 3.529 0 1 EHAF CCCC[C@]12C[C@]1(C(=O)N1CCCC1)C(=O)Nc1ccc(Cl)cc12 102330119 HIVMANFBNGNVTA-RTBURBONSA-N 346.858 3.733 0 1 EHAF NC(=O)c1ccc2nc(-c3ccc([C@@H](O)C4CCCCC4)cc3)[nH]c2c1 142995057 CCFNDEPLCRZDTI-IBGZPJMESA-N 349.434 3.943 0 1 EHAF O=C(NCc1ccc(Oc2ccccc2)cc1)[C@@H]1COc2ncccc21 205620487 ZWWSHVDBQKBJJT-LJQANCHMSA-N 346.386 3.666 0 1 EHAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(Br)nc3[nH]2)cc1 586889416 NOUIPRYXIWDYDY-YGRLFVJLSA-N 346.228 3.866 0 1 EHAF c1coc(-c2nc(Cc3nc4cc5c(cc4[nH]3)OCCO5)cs2)c1 587018189 VRZHFDYBPYWIIC-UHFFFAOYSA-N 339.376 3.641 0 1 EHAF Clc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 587039771 FTLJWHYPMIVDAN-JSGCOSHPSA-N 330.844 3.558 0 1 EHAF COc1cncc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587076420 LZSVCHFFLYLXKV-HNNXBMFYSA-N 342.830 3.957 0 1 EHAF CC(C)(C)OC(=O)N1CC[C@H]2c3c(nc4cccc5c4c3CC5)C[C@H]21 587211186 AUSLLAPDQJEVJN-CXAGYDPISA-N 336.435 3.983 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CCn1ccnc1C)CC2=O 587469381 DERNLASOHUIHNQ-LJQANCHMSA-N 328.412 3.664 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@H]1C(=O)OC)CC2=O 587480901 PXFHTNVYWKREAW-YWZLYKJASA-N 346.423 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cnc1OC)CC2=O 587484720 FXPBVOAJADNABF-KRWDZBQOSA-N 327.380 3.763 0 1 EHAF CC(=O)C(C)(C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809672 IYFQLLQQTBEKBY-XXFAHNHDSA-N 342.252 3.953 0 1 EHAF CC[C@H](C)c1nc2c(I)cnc(Cl)c2[nH]1 587956300 RDVUDIXCMULTDR-YFKPBYRVSA-N 335.576 3.729 0 1 EHAF Fc1cccc2c1[C@H](c1cnnn1Cc1ccccc1)N1CCC[C@@H]1C2 963094027 KZTHNIAVCMJXLI-UTKZUKDTSA-N 348.425 3.575 0 1 EHAF COc1ccccc1N1C(=O)c2cc3cccc(OC)c3cc2C1=O 1857539428 HXBKWEOXLBPTJX-UHFFFAOYSA-N 333.343 3.658 0 1 EHAF Cc1noc(C)c1-c1cc([C@@H](O)[C@@H]2CCCCN2)c2ccccc2n1 1857544374 AVQOYZNLALJJRG-FXAWDEMLSA-N 337.423 3.682 0 1 EHAF COc1ccc(OC)c(-c2csc(CCn3nc(C)cc3C)n2)c1 5783156 ONVOCRCASLCTJW-UHFFFAOYSA-N 343.452 3.883 0 3 EHAF O=C(CCCCCC(=O)c1ncco1)NCc1ccc(Cl)cc1 13587168 VAEVGXVEKCDUIC-UHFFFAOYSA-N 334.803 3.778 0 1 EHAF COc1cc(C[C@H](C)[C@H](C)[C@@H](O)c2ccc(O)c(OC)c2)ccc1O 14646628 WRCSGYHRSMRAFZ-KQHSUYLTSA-N 346.423 3.663 0 1 EHAF biogenic Cc1nccn1CC[C@](C(N)=O)(c1ccccc1)C1CCCCC1 26260521 ISWILNCXMZCXAE-FQEVSTJZSA-N 325.456 3.585 0 1 EHAF Cc1nn(-c2ccccc2)c2c1c(N1CCOCC1)nc1ccccc12 26737686 KPUWBZJJIPBNEQ-UHFFFAOYSA-N 344.418 3.719 0 1 EHAF Cc1ccc2[nH]cc(C(=O)N3CCC(c4cccc(CN)c4)CC3)c2c1 28469904 NDVOGCYMBRTGFI-UHFFFAOYSA-N 347.462 3.955 0 1 EHAF C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(CO)cc3)cc2)C1=O 38542299 ARSWEFWZYKJHJN-RBZFPXEDSA-N 340.444 3.626 0 1 EHAF Cc1ncc(C2CCN(C(=O)N3CCCc4ccccc43)CC2)o1 71296550 ALUSWCSSATVRHP-UHFFFAOYSA-N 325.412 3.735 0 1 EHAF O=C(CNc1nc(-c2cccc(F)c2)cs1)NC1CCCCC1 82222820 DHXSOFHLTMQHGN-UHFFFAOYSA-N 333.432 3.810 0 1 EHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccccc1Cl 103543454 WUMPEIDNOOALAD-WTNDLDAUSA-N 335.787 3.761 0 1 EHAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(C)cc1 104061111 PDDOLUZOIFFYRC-IBOXJLQUSA-N 341.415 3.653 0 1 EHAF CC1=C2C[C@H](O)/C(C)=C/CC[C@]3(C)O[C@H]3CC/C(C)=C\[C@@H]2OC1=O 169293421 RBYVYDNIAHQGRU-KLPDELASSA-N 332.440 3.603 0 1 EHAF O[C@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1Cl 587059099 MHYRSXXLHCHOEV-NSHDSACASA-N 327.693 3.712 0 1 EHAF CN(C)C(=O)c1ccc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1 587251923 ORMGEXOAFYLEDY-UHFFFAOYSA-N 330.391 3.667 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)c(OC)c1)[C@@H](C2)C3=O 587422108 CBRYDACBZBZWLW-ORAYPTAESA-N 328.339 3.506 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587423459 JYPXPHXGSSGUNG-SUMWQHHRSA-N 332.302 3.785 0 1 EHAF COc1cc2c3c(c1)O[C@](Cc1ccccn1)(C(C)(C)C)[C@@H](C2)C3=O 587437305 ZGQKHHOZKIFJRY-KKSFZXQISA-N 337.419 3.865 0 1 EHAF CCCc1c(O)ccc2c1OC1(CCC(CC(=O)OC)CC1)CC2=O 587484247 ZGANNASQBFHATL-UHFFFAOYSA-N 346.423 3.802 0 1 EHAF Cc1ncccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587767856 BKSGYABPQUOSBV-XXFAHNHDSA-N 335.220 3.915 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncc2)N1 587779807 WGODHBNKQKHHMQ-HWPZZCPQSA-N 335.220 3.781 0 1 EHAF C[C@H]1CC(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]1C 587818501 DWBMOKHXLZARNY-VTVITOLOSA-N 340.236 3.563 0 1 EHAF C[C@@H](CN1CCCCC1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876274 QDUCBSGBICLIHH-LBPRGKRZSA-N 329.375 3.557 0 1 EHAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(=O)OC)ncc2[nH]1 587952585 UELIHSORUREDKD-OZVIIMIRSA-N 331.416 3.791 0 1 EHAF C[C@@H]1CC=CC[C@H]1c1nc2cc(I)cnc2[nH]1 587967529 PIPYMQAXDNXVOT-PSASIEDQSA-N 339.180 3.632 0 1 EHAF COc1ccc2c(c1)[C@@H](c1cncnc1C(C)(F)F)N(C(C)C)CC2 962087472 FBRCDXHZJZKDAG-KRWDZBQOSA-N 347.409 3.953 0 1 EHAF C[C@]1([C@@H]2CCCOC2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962718149 RLPBEKOOGMDHIM-CLCXKQKWSA-N 335.488 3.831 0 1 EHAF N[C@H]1CC2(CC2)CC[C@@]12c1ccsc1CCN2Cc1cccnc1 962998682 PDEAFPLYHCTSHU-AZUAARDMSA-N 339.508 3.688 0 1 EHAF Cn1ncc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1C(F)(F)F 963114530 UPUMQGWRMIKHAC-SWLSCSKDSA-N 339.336 3.688 0 1 EHAF CCO[C@@H](C)n1nccc1[C@H]1NCCc2c(Cl)cc(Cl)cc21 963117443 DZGNCUJEKNGLPU-QFYYESIMSA-N 340.254 3.980 0 1 EHAF CC[C@@H]1Cc2cc(OC)c(C3CC3)cc2-c2cc(=O)c(C(=O)O)cn21 1857771093 UASZYQDEOMTFIO-CYBMUJFWSA-N 339.391 3.607 0 1 EHAF CC1=CC[C@H](O)[C@@H](C(=O)O)[C@H](O)CCC(C)=CCC(=C(C)C)CC1 2356452344 MUKKWTZBXOOCHN-QYZOEREBSA-N 336.472 3.992 0 1 EHAF O=C(O[C@@]12CCCN(C1)/C(=C/c1cccc(Cl)c1)C2)c1ccno1 96018845 KREVNUTVGFLIDV-SPQRHKFCSA-N 344.798 3.764 0 3 EHAF CNC(=O)c1cc2c(Oc3ccc(C(C)=O)cc3)cncc2s1 26579 PLTDSVDNFDQSDM-UHFFFAOYSA-N 326.377 3.651 0 1 EHAF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccco2)O[C@@H]1c1cccnc1 27723349 PGLLRZHYBMXBPA-UJRAZXPYSA-N 343.379 3.889 0 1 EHAF CCOC(=O)/C=C(/C)COc1ccc(C[C@@H]2CCCC[C@@H]2O)cc1 28878138 IXHIMBPFWQOBGZ-WFOSHCRASA-N 332.440 3.668 0 1 EHAF C[C@]12C3=CCC[C@@H]1[C@]14C[C@H](c5ccoc5)O[C@@H]1O[C@]4(C)C[C@@H]2OC3=O 2356603989 NDMIZXWDLDQQRN-WMUQSPHGSA-N 342.391 3.514 0 1 EHAF CNCC[C@@H](c1ccccc1)c1ccc(OCCN2CCCC2)cc1 64448692 JOSMNLLYOHOBPW-QFIPXVFZSA-N 338.495 3.903 0 1 EHAF CC[C@@]1(CC(=O)O)OCCc2c1[nH]c1cc(C(F)(F)F)ccc21 39198747 PCENKSOWWDBQLZ-HNNXBMFYSA-N 327.302 3.839 0 1 EHAF COc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 36387557 YYRIAUKCALANBX-CQSZACIVSA-N 337.416 3.603 0 3 EHAF CCOC(=O)c1c(C)nc(Nc2cccc(N)c2)nc1-c1ccccc1 71295532 CGGIOYLSDWDQFW-UHFFFAOYSA-N 348.406 3.955 0 1 EHAF O=C(Nc1cc(F)ccc1O)c1ccc(CNc2ccncc2)cc1 40405608 PNUKOPQWBFRNSA-UHFFFAOYSA-N 337.354 3.791 0 1 EHAF CC(C)[C@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1 148974268 NTOPUQMJNQWIBW-QZTJIDSGSA-N 339.391 3.530 0 1 EHAF CCC(=O)c1c(O)cccc1OCCCNc1ccc(OC)cc1 95559595 RVDZVAWTTHZCTA-UHFFFAOYSA-N 329.396 3.875 0 1 EHAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2C=C[C@H](O)[C@]21C 255218320 HRUZZZOEFXPPFR-QKXOZIDISA-N 346.511 3.732 0 1 EHAF O=C(NCCc1nc(-c2ccc(F)cc2)cs1)c1cccs1 653850960 AJLCSJKPIYHOGI-UHFFFAOYSA-N 332.425 3.983 0 1 EHAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1cc(F)ccc1F 587634591 LIXQPTLTIUXBQQ-UHFFFAOYSA-N 333.265 3.603 0 1 EHAF Clc1ccc(C2=C[C@H](c3nc4ccnc(Cl)c4[nH]3)ON2)cc1 587077713 YPYFBIDZMAVLGA-GFCCVEGCSA-N 333.178 3.882 0 1 EHAF CS(=O)(=O)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 587031625 JJFRWSFAZFEQOC-UHFFFAOYSA-N 344.417 3.554 0 1 EHAF N[C@@H](c1ccsc1)c1nc2ccc(Br)c(F)c2[nH]1 587026519 YZAYDDCUWLETCW-JTQLQIEISA-N 326.194 3.574 0 1 EHAF COc1cc2c3c(c1)O[C@@H]([C@@H](C)COCc1ccccc1)[C@@H](C2)C3=O 587439901 DUCNHVFCLOOJEA-GTXQTCRKSA-N 338.403 3.664 0 1 EHAF C[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354825 RSTSJQMEQXSBDA-MJGOQNOKSA-N 344.338 3.514 0 1 EHAF CCc1ccccc1NC(=O)c1nc2nccc(Br)c2[nH]1 587241288 SJMGSXXEZWMOGW-UHFFFAOYSA-N 345.200 3.535 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(O)nc1C)CC2=O 587493858 IFZXDFQMVQSQFQ-KRWDZBQOSA-N 333.409 3.696 0 1 EHAF Cc1c(Br)ccc2nc(CC[C@@H](C)CC(=O)O)[nH]c12 587960525 KAXIBWCWCQGLRH-MRVPVSSYSA-N 325.206 3.677 0 1 EHAF Cc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1F 587085021 MMPJILSORONNRA-UHFFFAOYSA-N 345.809 3.838 0 1 EHAF CC(C)(C)c1ccc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c2c1 586926961 SAFHQOPYNGWFDL-UHFFFAOYSA-N 328.437 3.931 0 1 EHAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OC)c(C)cc3[nH]2)cc1 587937182 NYCPKQYSSYPNEC-KZULUSFZSA-N 326.396 3.726 0 1 EHAF Cn1cc(Cl)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587500361 OFXHMWZUOYIVTJ-GOSISDBHSA-N 330.815 3.833 0 1 EHAF Cc1cccc(-n2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 587390816 JHJGOSABOPOBOJ-LJQANCHMSA-N 333.391 3.778 0 1 EHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC(C)C 587867472 FMQVRPJMOWVDFA-UHFFFAOYSA-N 327.306 3.659 0 1 EHAF Cc1ccc(OCc2nc3cc(Br)c(C)nc3[nH]2)cc1 587565571 MIPZLYDJCNASAH-UHFFFAOYSA-N 332.201 3.916 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Oc3cc(O)ccc31)O2 587410894 HAIHWTSRBHOPBR-FQEVSTJZSA-N 339.391 3.705 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2[C@@H]1CC(C)(C)CCC1=O 963642654 ZCHSBUYWTUGIIT-CFZJUORYSA-N 331.456 3.675 0 1 EHAF CC(=O)Nc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 5663444 OTXRCAQCQCRBNZ-BKRJIHRRSA-N 329.440 3.568 0 1 EHAF COc1ccccc1N1CCN(CC[C@@H](N=O)c2ccsc2)CC1 169717038 ZGRCDTGALCXFGJ-MRXNPFEDSA-N 345.468 3.777 0 1 EHAF CN(C)CCCNc1nc2ccccc2nc1-c1nc2ccccc2[nH]1 1857571904 QOWUVLLHNOSUFI-UHFFFAOYSA-N 346.438 3.537 0 1 EHAF N=C(N)c1ccc(/C=C/c2ccc3c(c2)C[C@H](CC(=O)O)CC3)cc1 13781407 SINNJNBKUKNJTA-XGBNDESESA-N 334.419 3.721 0 1 EHAF CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1 14977308 LQPUWGBXGMGDOV-UHFFFAOYSA-N 340.511 3.865 0 1 EHAF CC[C@H](SC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl 26499854 NEVMXGDLGIPGER-VIFPVBQESA-N 337.224 3.781 0 1 EHAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@@H](C)[C@H]2C)cc1OC 26508492 PAGIVPCQHJQBLJ-KGLIPLIRSA-N 338.407 3.727 0 1 EHAF CC(=O)OC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@H]34)[C@@]2(C)C=CC1=O 27882603 ADAJYTRXTGFMBL-COWMIZEISA-N 342.435 3.754 0 1 EHAF Fc1ccc(CN(CC2CC2)C2CCNCC2)c(C(F)(F)F)c1 36093179 SKZBOHXRCSRFPS-UHFFFAOYSA-N 330.369 3.809 0 1 EHAF CN(C)c1ccc(N2Cc3cc(OCCCF)ccc3C2=O)cc1 40943084 ALPBXXASHSESGU-UHFFFAOYSA-N 328.387 3.651 0 1 EHAF CC(=O)Nc1ccc(-c2ccc([C@@](O)(c3c[nH]cn3)C(C)C)cc2)cc1 59972357 MDJDLHSQYRTGNB-OAQYLSRUSA-N 349.434 3.927 0 1 EHAF CC(=O)CC[C@H](/C=C/[C@@](C)(O)C/C=C/[C@]1(C)CCC(=O)O1)C(C)C 85908360 NONYMPHQXUGMIU-SYEFFNPOSA-N 336.472 3.977 0 1 EHAF Fc1ccc(Nc2ncnc3cc4c(cc23)NCCO4)cc1Cl 96938589 MATORVNODLEICJ-UHFFFAOYSA-N 330.750 3.970 0 1 EHAF O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2)C1c2ccccc2Oc2ccccc21 103234050 AMSBJJAQPCGPNP-FICVDOATSA-N 335.403 3.750 0 1 EHAF CC(=O)OC/C=C/c1ccc(OCc2ccccc2)c(OC(C)=O)c1 103255916 BVNARPNIECRTIT-RMKNXTFCSA-N 340.375 3.767 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@@H]12 238754594 FKNIRWOLOYSZSG-MZKBQFCGSA-N 332.440 3.953 0 1 EHAF CCN1CCN(C(C)C)[C@H]2CCn3c(c(C)c4cc(OC)ccc43)[C@H]21 253639414 FMZKFHZGCQOPRB-FPOVZHCZSA-N 341.499 3.818 0 1 EHAF COc1cc(/C=C/C(=O)OC23CC4CC(CC(C4)C2)C3)ccc1O 299835609 WXHDLEAJIGSBOC-HWKANZROSA-N 328.408 3.926 0 1 EHAF O=C(Nc1cccc2c1ncn2C(=O)c1ccccc1)c1ccccc1 299856066 HMCIOKDKHLFEHL-UHFFFAOYSA-N 341.370 3.977 0 1 EHAF CCNc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@H]1O2 473088068 HVFIHGPNQYOSLN-HXUWFJFHSA-N 333.391 3.689 0 1 EHAF CN(C)[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586987129 AKTQAXSOBGBZAR-GFCCVEGCSA-N 344.414 3.571 0 1 EHAF Cc1ccnc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587390394 MQACISIKMMDYNU-SFHVURJKSA-N 333.391 3.778 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cccc(F)c1OC)[C@@H](C2)C3=O 587422483 DTYVCTKUIMNFPA-ORAYPTAESA-N 328.339 3.506 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc(C)ccn1)[C@@H](C2)C3=O 587432040 TZJYGSBHAZJROI-YCRPNKLZSA-N 346.386 3.678 0 1 EHAF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CN(C)C)cc1F 587638047 SYUZCOAXHTWEIP-UHFFFAOYSA-N 342.370 3.742 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncs2)N1 587854638 RHLKEGVAHVUXCV-XLKFXECMSA-N 341.249 3.842 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(Cc2ncccc2C(=O)O)N1 962949623 PZNMBBUVHWZGER-ASSNKEHSSA-N 349.434 3.643 0 1 EHAF CCOC(=O)c1ccnc([C@@H]2N[C@H](CC)Cc3c2[nH]c2ccccc32)c1 962956986 ZFAIXEBQZJQWAQ-VLIAUNLRSA-N 349.434 3.753 0 1 EHAF Oc1ccc2c(c1)[C@@](c1ccccc1)(c1ccc(Cl)nc1)NCC2 963328938 JUGXOZOFPVRWAG-HXUWFJFHSA-N 336.822 3.878 0 1 EHAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](CC=C(C)[C@@H](O)CC1)[C@H](C)C(=O)O2 2356799981 PNMCIBFBQPGVAE-VBRUWADQSA-N 336.472 3.523 0 1 EHAF CC1CCC(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 6929975 ONVQFGDTAZZVMN-UHFFFAOYSA-N 346.496 3.904 0 1 EHAF COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc4c(c(C)c3CC[C@@H]12)CC(=O)O4 13384008 JEQZYODIZNIDJE-JRGCBEDISA-N 342.435 3.640 0 1 EHAF biogenic CC(=O)N(CCCN(C)C)c1c2c(nc3ccccc13)CCCCC2 13533593 GNSIZIYGIFJBOE-UHFFFAOYSA-N 339.483 3.808 0 1 EHAF O=C1c2c(O)cccc2Cc2ccc(Cc3ccccc3O)c(O)c21 13736927 VVNCCCXQSQLSNG-UHFFFAOYSA-N 332.355 3.529 0 1 EHAF CSc1ccc(NC2=C(c3cccc(Cl)c3)C(=O)NC2=O)cc1 14946030 RTDKCTPKXLRSLL-UHFFFAOYSA-N 344.823 3.542 0 1 EHAF COc1ccc(C=C2CC[C@@H]3[C@@H](CCCC34OCCO4)C2=O)cc1 16956434 VTTUERHBIOYDLZ-QZTJIDSGSA-N 328.408 3.601 0 1 EHAF COc1cc(N)nc(Nc2ccc(Cl)c(OCC=C(C)C)c2)n1 28568292 OONOQWVUQKSADO-UHFFFAOYSA-N 334.807 3.809 0 1 EHAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCO)C[C@@H]12 28655102 BLJHCXGIQLFCAK-UIVXOMHLSA-N 348.527 3.958 0 1 EHAF CCCN1c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2OC[C@H]1C 28953747 QGSKXHAXSZQDTO-SECBINFHSA-N 326.318 3.544 0 1 EHAF Cc1cccc(NN2C(S)=N[C@@H](C)[C@H]2c2cccc(C(=O)O)c2)c1 29334015 LEVWIYFEQNHQQC-LRDDRELGSA-N 341.436 3.751 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2cccc(C)n2)/C1=C(/O)OC(C)C 29489398 CXBOYORHWOHNME-YIQZXQSLSA-N 331.372 3.651 0 1 EHAF C=CC(=O)Nc1ccc2ncnc(Cc3ccc(F)c(Cl)c3)c2n1 40423883 YBZDFXKFZUDAAC-UHFFFAOYSA-N 342.761 3.533 0 1 EHAF O=C(O)c1cc(N(Cc2cccc(F)c2)Cc2cccc(F)c2)n[nH]1 43021092 RSYKDSYEZBWUIA-UHFFFAOYSA-N 343.333 3.593 0 1 EHAF CCc1nnn(-c2ccccc2)c1C(=O)N(C)c1ccc(Cl)cc1 45389809 PAZOLTNDALKORT-UHFFFAOYSA-N 340.814 3.760 0 1 EHAF CC(C)N1CC[C@H](c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1 49125416 FHHGATHULHNWHK-INIZCTEOSA-N 348.450 3.527 0 1 EHAF Cc1c(-c2ccc(OCCN3CCCC3)cc2)[nH]c2ccccc2c1=O 84668826 AVXWFJZEEBVWHC-UHFFFAOYSA-N 348.446 3.978 0 1 EHAF CCOn1c(Sc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=S 103186241 AOIPDYGWJICULF-UHFFFAOYSA-N 336.482 3.685 0 1 EHAF CC[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCCC(=O)O 169622108 XFYXZNAYFJZWSH-VZYDEXHSSA-N 334.456 3.934 0 1 EHAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)ncc3[nH]2)cc1 586891776 VOCXFTKYXDKPFE-ZUZCIYMTSA-N 346.228 3.866 0 1 EHAF CCOC(=O)Cc1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1 587090350 PDWQOQIHOQKZBU-GFCCVEGCSA-N 338.688 3.592 0 1 EHAF COc1cccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c12 587109383 OBNZXGHVHPZKFU-UHFFFAOYSA-N 336.269 3.956 0 1 EHAF COc1c(F)ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1N 587132562 DFZQTZHJWBPFSU-UHFFFAOYSA-N 341.264 3.858 0 1 EHAF Cc1cncc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587166843 BVZKQDFVLCZKKG-HNNXBMFYSA-N 339.374 3.774 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3cccnc3)s1)O2 587411659 FMWGWZAXYWZDQK-HNNXBMFYSA-N 337.404 3.802 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(Cl)c1O)[C@@H](C2)C3=O 587425604 FTRRRGLBRQRWFF-DYZYQPBXSA-N 334.730 3.682 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1F 587568307 HMDTWVRWMPKQLI-LPHOPBHVSA-N 337.306 3.629 0 1 EHAF Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587589000 STWDKDVBWMALOA-FXAWDEMLSA-N 333.343 3.799 0 1 EHAF 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Cc1nnc2n1-c1c(F)cc(-c3cncc(C(F)(F)F)c3)cc1CC2 143836110 NQMQIFCUYNADAL-UHFFFAOYSA-N 348.303 3.894 0 1 EHAF CO[C@@H]1CC[C@@H]1N1C(=O)CS[C@@H]1c1c(Cl)cccc1Cl 169368177 JWBWEGWRAAKCHC-MISXGVKJSA-N 332.252 3.745 0 1 EHAF CCC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21 299840902 WQEKRARRQHTSAU-UHFFFAOYSA-N 348.406 3.508 0 1 EHAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 586913776 SKMZFKQALYTABU-KWQFWETISA-N 325.206 3.704 0 1 EHAF COC(=O)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1OC 587042024 GVDAZXJIBDFKDD-AWEZNQCLSA-N 340.404 3.748 0 1 EHAF COc1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cn1 587076394 LQYCYIDTPJOMNU-INIZCTEOSA-N 342.830 3.957 0 1 EHAF O=C1CCc2cc3nc(/C=C\c4ccc(F)cc4F)[nH]c3cc2N1 587151597 SVPUNXBBGIRFBU-DJWKRKHSSA-N 325.318 3.896 0 1 EHAF Cc1c(NC(N)=O)cccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587239674 NBIMQOVTHJSLCP-UHFFFAOYSA-N 336.182 3.731 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)o1)[C@@H](C2)C3=O 587416899 GAPFEMVWJIUATB-BJOHPYRUSA-N 335.153 3.539 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccn(CC3CC3)n1)CC2=O 587477935 WLZQUUJOMKHRGD-SFHVURJKSA-N 326.396 3.658 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(CN1CCCC[C@@H]1C)CC2=O 587479556 UJHNGOAAGZRGTG-VBKZILBWSA-N 331.456 3.943 0 1 EHAF CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]2CCC[C@@H]21 587518396 HRAHDOJDQNBEJN-LQWHRVPQSA-N 325.452 3.774 0 1 EHAF CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518993 SLANASWKJYYSCD-QFIPXVFZSA-N 347.414 3.793 0 1 EHAF Cc1csc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1Cl 587653019 BMNCLMQLRRIPKK-UHFFFAOYSA-N 339.203 3.762 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(CC(=O)c2cccnc2)N1 962961615 XQANZVGYTKLIJB-VFNWGFHPSA-N 333.435 3.975 0 1 EHAF CN(C)c1ccc(-c2cc([C@@H]3COC4(CCCCC4)O3)n(C)n2)cc1 1857553779 OJSXORGRZVFPTQ-IBGZPJMESA-N 341.455 3.901 0 1 EHAF CC=C(C)C(=O)OC[C@]1(O)CC[C@H](C(C)C)[C@@H]2[C@@H](C(C)=O)CC[C@H]21 2356563979 HCLBHWFWGBSTRW-HGJKNBTDSA-N 336.472 3.524 0 1 EHAF Cc1ccc2c(c1)-n1c(nc3ccccc3c1=O)[C@@H](CC(C)C)NC2=O 61949348 AKDIRRFKKJPXHV-QGZVFWFLSA-N 347.418 3.525 0 3 EHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccs1 229026 WZFJRUZYGPZGFO-WTNDLDAUSA-N 335.425 3.949 0 1 EHAF [O-][N+]1=CC(c2ccc(Oc3ccccc3)cc2)=[N+]([O-])[C@@H]2CCCC[C@H]21 13616205 QUQPREFMDUPVMG-RTBURBONSA-N 336.391 3.684 0 1 EHAF CC(C)=CCC[C@](C)(O)[C@H]1Cc2c(c3c(C)cccc3oc2=O)O1 14611512 WLCNFVPYTHKEQD-UZLBHIALSA-N 328.408 3.902 0 1 EHAF biogenic CC/C=C\C/C=C\C[C@@H](O)[C@H](O)/C=C/[C@@H]1C/C=C\CCCC(=O)O1 14768272 OIBRTSVGCWTYLU-TUDZHGKTSA-N 334.456 3.609 0 1 EHAF Cc1cccc(-c2nc3nc(C)cc(Nc4cccc(O)c4)n3n2)c1 15785063 PLFJZTQYOPWNOH-UHFFFAOYSA-N 331.379 3.857 0 1 EHAF O=C(O)C[C@]1(O)CCC[C@H](CC[C@H](O)CCCCc2ccccc2)C1 27618580 WTVVKTQFEBUYJK-SBHAEUEKSA-N 348.483 3.937 0 1 EHAF CN(C)CCCOc1cc(-c2ccccc2)nn1Cc1ccccc1 28009282 KQTKACODKHVVLD-UHFFFAOYSA-N 335.451 3.929 0 1 EHAF CCC(=O)N(c1ccc(Br)cc1)[C@@H]1CCC[C@H]1N(C)C 28242132 VLKLBMVYCDBBDP-HUUCEWRRSA-N 339.277 3.675 0 1 EHAF Fc1ccc(Cl)c(-c2cc(-c3cnn(C4CCNCC4)c3)on2)c1 40430724 ILAAZNZHDZLQCQ-UHFFFAOYSA-N 346.793 3.922 0 1 EHAF CCC[C@H]1CN=C2N(CC3CCC3)[C@@H](Cc3ccc(OC)cc3)CN21 40939028 OVWYHBULJGMXIF-OALUTQOASA-N 341.499 3.562 0 1 EHAF CCc1cc(NC2CCN(C)CC2)nc(Nc2ccc(C)cc2)n1 45189254 DODSNFCEYCCGQS-UHFFFAOYSA-N 325.460 3.597 0 1 EHAF CC(C)(C)c1cc[n+](CCOCC[n+]2ccc(C(C)(C)C)cc2)cc1 66102401 LYDFXGRRFCEVJP-UHFFFAOYSA-N 342.527 3.573 0 1 EHAF CCOc1cccc(-c2cc(NCc3ccc4c(c3)OCO4)ncn2)c1 82161881 NEVPBJZVJPNDMI-UHFFFAOYSA-N 349.390 3.883 0 1 EHAF CN(Cc1ccccc1Br)c1cc2ccccc2c(=O)[nH]1 96018444 SAJLHZGGWYGBET-UHFFFAOYSA-N 343.224 3.927 0 1 EHAF COc1ccc(-c2noc(CCO)c2-c2ccc(OC)cc2)cc1 140320452 IHJUPVGPRVDYAQ-UHFFFAOYSA-N 325.364 3.561 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)NCC[C@]4(C)[C@H]3CC[C@]12C 169368706 NRBYKRJQRQZVLV-GVNFVFRUSA-N 347.499 3.687 0 1 EHAF CCCCC[C@@H]1C=C[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O1 253633920 PAPRKPWTFGPHGR-YWTNHNAXSA-N 336.472 3.955 0 1 EHAF CC1=CN([C@@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@@H]2C)C(=O)[C@@H]2[C@@H](C)CC[C@@H]12 257525946 QTRZXLVUEGDULY-PKCUCTGZSA-N 331.456 3.576 0 1 EHAF endogenous,in-man O=C(N[C@H](CO)c1ccc2ccccc2c1)[C@@H]1C[C@H]1c1ccccc1 299872022 ZSCFETLRKPSUJK-PWRODBHTSA-N 331.415 3.793 0 1 EHAF COC(=O)c1cc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2cc1OC 586886456 GDORTHVKPJCNTK-QVKFZJNVSA-N 348.402 3.730 0 1 EHAF Oc1cccc2c1OCC(c1nc3ncc(Cl)c(Cl)c3[nH]1)=C2 586907379 GDUIXSVOHHHSLU-UHFFFAOYSA-N 334.162 3.903 0 1 EHAF CC1(C)c2nc3ccc(O)c4c3c(c2[C@@H]1C(=O)O)-c1ccccc1C4=O 586990584 LWJIADSVDOOFDR-QGZVFWFLSA-N 345.354 3.611 0 1 EHAF O=C(O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587077755 ZLPNPLQGCSMSMP-OAHLLOKOSA-N 341.754 3.532 0 1 EHAF Fc1c(F)c(F)c(/C=C/c2nc3c(Cl)ncnc3[nH]2)c(F)c1F 587134881 QAROQHYJQNGSGR-OWOJBTEDSA-N 346.646 3.872 0 1 EHAF C[C@]1(c2nc3c(F)cnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587153828 AHUUHJKIHOJWFM-MRXNPFEDSA-N 348.740 3.681 0 1 EHAF N[C@@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@@H]1c1ccccc1F 587156029 KWYKNCSHNJHWJB-GLEZIHRCSA-N 337.185 3.745 0 1 EHAF Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)cnc3[nH]1)O2 587174105 MGUUUYXVOYOUJQ-GFCCVEGCSA-N 334.148 3.536 0 1 EHAF Cc1cc(C)c2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 587193844 HGCZVAMLKWSBRS-CQSZACIVSA-N 346.475 3.697 0 1 EHAF CC(=O)Nc1cccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587242458 LVOXVUFKKVVLSD-UHFFFAOYSA-N 337.276 3.669 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(C(F)(F)F)n1)[C@@H](C2)C3=O 587423091 QUWBVMYYJJELLJ-QFYYESIMSA-N 335.281 3.598 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCN4C(C)C)[C@@H](C2)C3=O 587441843 HSAPKTBJUKGEQP-HTAPYJJXSA-N 349.430 3.955 0 1 EHAF O=C1C[C@@](c2ccccc2)(c2nc[nH]n2)Oc2c1ccc1c2CCCC1 587521102 AFDUZMLUXSFSBK-OAQYLSRUSA-N 345.402 3.593 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1 587607334 IALUSXSEDLJMTA-FXAWDEMLSA-N 334.327 3.801 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC2CCOCC2)N1 587835279 OWTAHDDBRSLWBS-HZMBPMFUSA-N 342.252 3.980 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)O3)N1 587845198 ZQMJXEVWWWJTSM-RSZCLBMNSA-N 340.236 3.659 0 1 EHAF CCOCC(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587865094 UXZJKUYNQPIJSP-UHFFFAOYSA-N 342.317 3.644 0 1 EHAF COC[C@H](C)[C@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962646648 VDDCSZUVROFVAM-XJABCFGWSA-N 336.479 3.757 0 1 EHAF CCOc1cccc2c1C(=O)OC2=C(Br)Br 1857644507 ZJASNIRZUOQHDB-UHFFFAOYSA-N 347.990 3.672 0 1 EHAF CCCCN(C(=O)CC)[C@H](C(=O)NC1CCCCC1)c1cccnc1 2356828012 IRJSPDGRXZWKSG-IBGZPJMESA-N 345.487 3.610 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccc(C(C)=O)cc1 2356874554 YWXKSFFRGPKTAN-UWWQBHOKSA-N 330.428 3.558 0 1 EHAF OCCCNc1nc(-c2ccc(Cl)cc2)nnc1-c1ccccc1 3767053 GUISEDJEYODVAX-UHFFFAOYSA-N 340.814 3.653 0 3 EHAF COc1ccccc1[C@H]1N[C@@H](c2ccccc2OC)[C@H](C)C(=O)[C@H]1C 4715565 NLSCCGAGHJFEOU-WZBLMQSHSA-N 339.435 3.931 0 3 EHAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H]1CC(=O)O[C@@H]12 61946547 UHRRKAOLVBHHLU-YQMFEOJXSA-N 330.468 3.852 0 3 EHAF O=C(Cc1c(C(=O)O)[nH]c2ccccc12)Nc1cccc(Cl)c1 201491 PCAHJFYJQIKGQV-UHFFFAOYSA-N 328.755 3.701 0 1 EHAF CC[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C(\C)C[C@@H](C)[C@H]1OC(=O)[C@H]1C 3872409 WOISDAHQBUYEAF-LMVUJJIXSA-N 338.488 3.769 0 1 EHAF in-vitro COc1ccc(-c2cc(=O)c3c(O)c(C)c(O)c(C)c3o2)cc1OC 14727456 UIFRXEHXPRFGTF-UHFFFAOYSA-N 342.347 3.505 0 1 EHAF biogenic CC(C)c1ccc(Cn2cnc3c(-c4ccco4)nc(N)nc32)cc1 28523341 HDTZXVISASWKGX-UHFFFAOYSA-N 333.395 3.840 0 1 EHAF CN1CCN(C2=Nc3cc(Cl)ccc3Oc3cscc32)CC1 29339898 FARWOESTFRSFSN-UHFFFAOYSA-N 333.844 3.833 0 1 EHAF Cc1nc(C)c(COc2ccc(Cl)cc2/C=C/C(=O)O)nc1C 73139429 DGIBHBWMBPUJSV-QPJJXVBHSA-N 332.787 3.732 0 1 EHAF COc1ccccc1-n1ccc2c(sc3nccc(OC)c32)c1=O 73258926 JQJOTLAOXFBIIX-UHFFFAOYSA-N 338.388 3.618 0 1 EHAF O=c1[nH]c2ccccc2n2c(-c3ccccn3)nc(-c3ccccc3)c12 96913548 GHKCUZPQGKCSDC-UHFFFAOYSA-N 338.370 3.905 0 1 EHAF O=C1N(c2ccccc2)c2nc(=S)sc(O)c2[C@H]2CCCN12 96935402 VVRYHRRWYJYANS-SNVBAGLBSA-N 331.422 3.987 0 1 EHAF O=C1C(SCCc2ccccc2)=C(O)CN1CCc1ccccc1 100603550 HUBSAEMAWQXTAQ-UHFFFAOYSA-N 339.460 3.817 0 1 EHAF CCO/C(O)=C1\C(C)=Nc2nc(SC)nn2[C@H]1c1cccs1 103888587 PPGYZKSOWDXOGU-OCUQMRJBSA-N 336.442 3.563 0 1 EHAF Cc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc2cccnc12 115596588 GYYSOBXJKXWXOC-AOHHAFIYSA-N 347.393 3.936 0 1 EHAF CCc1c(C)sc2[nH]c(=S)n(CCCn3cncc3C)c(=O)c12 138324930 WGMGWVRMAYEMKZ-UHFFFAOYSA-N 348.497 3.587 0 1 EHAF C[C@]12CC[C@@H]3c4ccc(S(C)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O 139053973 JDQDHTLJOOPDQE-VXNCWWDNSA-N 332.465 3.515 0 1 EHAF CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC[C@@](C)(O)/C=C/2OC1=O 156733022 ISOHZXFJJWEPNL-FSXOAZJJSA-N 332.440 3.953 0 1 EHAF Cc1nn(C[C@H](C)C(=O)Nc2ccccc2)c(C)c1Br 164981408 AYMUCKLSEAVMEL-JTQLQIEISA-N 336.233 3.537 0 1 EHAF Cc1cccc(C)c1[C@H]1SCC(=O)N1C(=O)Nc1ccncc1 169351034 YISCVUWRGMGTSH-MRXNPFEDSA-N 327.409 3.505 0 1 EHAF CC(=O)[C@]12[C@@H](c3ccccc3)NC(=O)N3CC[C@H]([C@@H]1c1ccccc1)[C@@H]32 195487060 ALNREWIJIWNNFA-AIYVTKCESA-N 346.430 3.514 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@@]12CC[C@@]1(C=COC1)O2 257505566 OQLCWZJEAYGVQE-SYHVJVMTSA-N 332.440 3.596 0 1 EHAF Cc1cc(Oc2ncc(F)cc2C)ccc1-c1c(C)n[nH]c(=O)c1C 261153835 PMKLNTYQNPDPHG-UHFFFAOYSA-N 339.370 3.997 0 1 EHAF Nc1cccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987331 MZEHHRSGPZENIV-UHFFFAOYSA-N 339.354 3.796 0 1 EHAF CCc1cc(OCc2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1Cl 587052489 CGHRYRHANJIMMJ-UHFFFAOYSA-N 342.786 3.940 0 1 EHAF OCc1ccc(F)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587140824 RWCUJOFLXXWNOQ-UHFFFAOYSA-N 326.249 3.760 0 1 EHAF CCOC(=O)CNc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 587227563 NXFAPPFOBKZKHS-UHFFFAOYSA-N 329.787 3.858 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1cnccn1)O2 587393295 FLVCRYUDPQJROT-SFHVURJKSA-N 347.374 3.866 0 1 EHAF CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCCCC2 587445030 YTCCTEUKTMBTGF-QLVMHMETSA-N 342.435 3.941 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1sc(=N)[nH]c1Cl)CC2=O 587493886 ILXAGZJYTGABKJ-LLVKDONJSA-N 338.816 3.574 0 1 EHAF COC(C)(C)C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590802 AUCVQVDNNXRQCT-JKSUJKDBSA-N 328.364 3.538 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@]3(C)O[C@H]23)N1 587840548 ZEMPOGVLCULDIS-JIWMEVSISA-N 340.236 3.659 0 1 EHAF CCc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 587957253 ULDMCRKVLREHQJ-UHFFFAOYSA-N 336.391 3.712 0 1 EHAF CC(=O)Oc1ccccc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963099452 AFPZPJLNLGYMQN-OXQOHEQNSA-N 325.383 3.861 0 1 EHAF C[C@@H](NC(=O)OCc1ccccc1)[C@H]1NCCc2cccc(Cl)c21 963391694 WWKQJDMPVVXQAS-FZKQIMNGSA-N 344.842 3.842 0 1 EHAF O=C(c1cnc(-c2cccc(Cl)c2Cl)s1)N1CCOCC1 1772627874 OPRFFEKUXYODOF-UHFFFAOYSA-N 343.235 3.589 0 1 EHAF O=C(O)COc1ccc2ccn(CCCOc3ccccc3)c2c1 1772634967 GYMJJWHFFOIUSF-UHFFFAOYSA-N 325.364 3.574 0 1 EHAF Cc1cccc([C@H]2CCCN2CCCn2nnc(-c3ccccc3)n2)c1 1857544656 IEYFRHLUDPEPCX-HXUWFJFHSA-N 347.466 3.876 0 1 EHAF C[C@H](c1cc(OC(=O)N2CCCCC2)c2ncccc2c1)N(C)C 1857553308 HXTXWUVDAWFWLW-CQSZACIVSA-N 327.428 3.842 0 1 EHAF CN(C)C(=O)Cn1ccc2ncc(-c3ccc(F)c(Cl)c3)cc21 1857620585 OZQNCCZSWDCRSH-UHFFFAOYSA-N 331.778 3.584 0 1 EHAF Cc1nn(-c2ccccc2)c(O)c1C(=S)Sc1cccnc1 1857771308 GUBKPIOORKGPSN-UHFFFAOYSA-N 327.434 3.749 0 1 EHAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]23CO[C@]4(C)O[C@@]12CC[C@@H]34 2356471231 LMCSJIHQFRKFCW-FGIBCJCCSA-N 332.484 3.886 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@H]1[C@@]23C 2356690823 MDGQYVICUGZAQD-KPCGEPQISA-N 344.407 3.653 0 1 EHAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@@]12O)[C@@]3(C)[C@@]12CCC[C@H]1CC[C@H]4C2 2356841390 NIBKGJSRUQHHMN-JFWCPVJDSA-N 344.495 3.584 0 1 EHAF Clc1ccc2c(c1)C(NCCN1CCCC1)=Nc1cccnc1N2 13492093 RSRBLEQLYKUQRA-UHFFFAOYSA-N 341.846 3.556 0 1 EHAF C[C@@H]1CCCN1CCc1cc2cc(CNc3cncnc3)ccc2o1 13674347 UURUUFRIJBZCTM-OAHLLOKOSA-N 336.439 3.862 0 1 EHAF CCCCOc1c(OC)cc(N[C@H](C)CCCN)c2ncccc12 28222820 YVYNLZPWIWURAF-CQSZACIVSA-N 331.460 3.962 0 1 EHAF Cc1nc(C)c([C@H](c2ccccc2Cl)N2CCN(C)CC2)s1 28254229 XQDQBWJOOVRNHD-INIZCTEOSA-N 335.904 3.750 0 1 EHAF CCOC(=O)[C@@H]1CCCCN1Cc1coc(-c2ccccc2Cl)n1 64399529 BXOWNBJUBGQPPO-INIZCTEOSA-N 348.830 3.913 0 1 EHAF COc1ccc2ccc(=O)oc2c1-c1cc(-c2ccccc2)nc(N)n1 72114307 VCXPFHUDRSEHMZ-UHFFFAOYSA-N 345.358 3.508 0 1 EHAF CSc1nc2n(n1)[C@@H](c1ccccc1F)C1=C(O)CCCC1=N2 103894508 JLUFEQXDDNOZMJ-AWEZNQCLSA-N 330.388 3.811 0 1 EHAF c1ccc(CN2CC[C@@H]3C[C@@H]2c2cc(N4CCOCC4)ccc23)cc1 104189128 PEVJAEWZDBAABH-XMSQKQJNSA-N 334.463 3.958 0 1 EHAF CN(C)c1nccn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc12 473165418 BTEXCOZQDANGMU-UHFFFAOYSA-N 333.370 3.663 0 1 EHAF Oc1cccc([C@@H](O)c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 586889807 HEUWWWCGEPYYOP-CYBMUJFWSA-N 340.326 3.962 0 1 EHAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ncc[nH]c-3n2)cc1F 587151953 VWBWEFZVELTUIU-OAHLLOKOSA-N 338.317 3.751 0 1 EHAF Cc1cc2[nH]c(-c3cccnc3N(C)C)nc2cc1Br 587195854 LHDTULHQWORPSE-UHFFFAOYSA-N 331.217 3.762 0 1 EHAF CCOC(=O)C(F)(F)[C@@H]1CCc2c(nc3cccc4c3c2CC4)C1 587210241 KWIWBERVACGWOO-GFCCVEGCSA-N 331.362 3.637 0 1 EHAF CCN1C(=O)[C@H](c2cc3c4c(cccc4n2)CC3)C(=O)c2ccccc21 587211658 HPNBEHOTDUNIFL-HXUWFJFHSA-N 342.398 3.666 0 1 EHAF CCOC(=O)CNc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 587227001 HCENTMZTKJYXSX-UHFFFAOYSA-N 329.787 3.858 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O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(CC=C(c3ccccc3)CC2)N1 962894508 JQZSFDRLWRLXLK-PZJWPPBQSA-N 337.394 3.887 0 1 EHAF NC(=O)c1ccc(-c2ccnc3[nH]nc(-c4cccc(F)c4)c23)cc1 1857580335 ISTZUBIABIVHPY-UHFFFAOYSA-N 332.338 3.530 0 1 EHAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@@H]12)CNC3=O 2356787224 BICKYNKDFFMMHJ-ZIPFVXQXSA-N 331.456 3.520 0 1 EHAF CCCCOc1ccc([C@](O)(CCC)CCN2CCOCC2)cc1 20756527 HMIJKVCTIYWLGT-FQEVSTJZSA-N 335.488 3.576 0 3 EHAF O=C1c2ccccc2[C@@H](c2nc3ccccc3[nH]2)N1Cc1ccco1 199396659 KUAYRWIQRMLROO-SFHVURJKSA-N 329.359 3.901 0 3 EHAF Fc1ccc(NC(=S)c2ccccn2)cc1CN1CCCCC1 11408 AAOWMLHGURLKLA-UHFFFAOYSA-N 329.444 3.994 0 1 EHAF C[C@@H](CCc1ccccc1)NC(=O)Cn1ncc2c(Cl)cccc21 6768253 LFSZTPYDIZJUOA-AWEZNQCLSA-N 341.842 3.827 0 1 EHAF CC1=C(C(=O)Nc2ccc(F)cc2F)C2(CCCCCC2)OC1=O 6933408 VRCFNXACMGZEMW-UHFFFAOYSA-N 335.350 3.870 0 1 EHAF COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H](C)[C@@H]2C)OCO4)ccc1O 14726871 PKDKRIQIMYSIFF-ZDCWMAILSA-N 340.375 3.730 0 1 EHAF biogenic 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EHAF Oc1c(Br)ccc2nc(COc3ccc(F)cc3)[nH]c12 587169064 ROJIXGDXAVEHJK-UHFFFAOYSA-N 337.148 3.749 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3ccc(C)cc3c1=O)O2 587407356 HGHZPWWJGUTQCM-SFHVURJKSA-N 335.359 3.699 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccnc(C(F)(F)F)c1)[C@@H](C2)C3=O 587423629 UKFMJWQBFZUIMA-ZBEGNZNMSA-N 335.281 3.598 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cccc4c1NCCC4)[C@@H](C2)C3=O 587441924 VLCVXHOIMMOKSI-KKSFZXQISA-N 335.403 3.716 0 1 EHAF CCC[C@H](OC)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587554767 KDIMURYZEBIDQS-HNNXBMFYSA-N 325.368 3.591 0 1 EHAF CCCN1C(=O)[C@@](O)(c2c(C)[nH]c3cc(F)ccc23)c2ccccc21 587636715 FIROOKOHNIEHPR-FQEVSTJZSA-N 338.382 3.608 0 1 EHAF Cc1cc(C)n(-c2c(-c3cccc(N)c3)[nH]c3c(C(=O)O)cccc23)n1 587639381 UFSYEAVHPCOCKN-UHFFFAOYSA-N 346.390 3.918 0 1 EHAF Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587774094 LGVZLTRLZBGGLQ-ZIDLFYJRSA-N 339.208 3.817 0 1 EHAF COc1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2n1 587783115 XOSRWXZAOJUDRP-UHFFFAOYSA-N 347.374 3.918 0 1 EHAF 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EHAF CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 772700 UYUSJPFZSHEEPY-UKRRQHHQSA-N 334.828 3.582 0 1 EHAF CC(=O)COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12 13761244 KZJZHBQQXSOWHM-UHFFFAOYSA-N 327.767 3.816 0 1 EHAF COc1cc(-c2ccc(C)cc2)cc2c1OCCN(C(=O)C1CC1)C2 14985869 GVHVPPDBBJADQM-UHFFFAOYSA-N 337.419 3.802 0 1 EHAF O=C1c2c(O)cccc2C(C(=O)c2ccsc2)c2cccc(O)c21 27556127 FMJMNLYBVODXAO-UHFFFAOYSA-N 336.368 3.719 0 1 EHAF C[C@@H]1CCCN1CCc1ccc2nc(C3=NCCS3)ccc2c1 38606947 CQOZCJAFTZEIHN-CQSZACIVSA-N 325.481 3.755 0 1 EHAF Fc1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1 66258771 SLVYBBMEFYHDKD-UHFFFAOYSA-N 346.475 3.799 0 1 EHAF Cc1ccnc(OCc2ccc(C(=O)Nc3nc(C)cs3)o2)c1 95755562 RWHAAUIDRVFIPD-UHFFFAOYSA-N 329.381 3.579 0 1 EHAF CC(=O)Oc1ccc2c(C)c(-c3nc4ccccc4[nH]3)c(=O)oc2c1 96906697 PZPLPSOKNPFMEA-UHFFFAOYSA-N 334.331 3.570 0 1 EHAF CCNC(=O)[C@H](OC)c1cccc(COc2cc(C)ccc2C)c1 103177348 YUXKKMRSKCWHCN-LJQANCHMSA-N 327.424 3.706 0 1 EHAF CC1=NC(=S)N[C@@H](c2cccs2)[C@H]1C(=O)Nc1ccccc1C 169690002 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LHUFGOXAHKHSKY-SECBINFHSA-N 333.313 3.832 0 1 EHAF Oc1ncnc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc12 587128013 FHDJRQZMNUDOQV-UHFFFAOYSA-N 345.334 3.787 0 1 EHAF CSc1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 587163326 PMZSABWUJGGFEA-UHFFFAOYSA-N 329.400 3.995 0 1 EHAF N=c1ccc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c[nH]1 587254140 GZSNYUYWCJADGH-UHFFFAOYSA-N 330.391 3.540 0 1 EHAF CCOC(=O)[C@@H]1[C@@H](C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587520991 CBYQBCXTNIKCKD-FPSMJMQUSA-N 342.435 3.879 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@@H]2C)N1 587818321 QLEIOQHNSLISNU-LSYCYVAJSA-N 340.236 3.707 0 1 EHAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OC)c(F)cc3[nH]2)cc1 587937633 QIULAGSKUIFRIO-BMLIUANNSA-N 330.359 3.556 0 1 EHAF O=C(NCCc1c[nH]c2ccccc12)c1coc(-c2ccccc2O)n1 653751683 BMGRDEQZZOWDPG-UHFFFAOYSA-N 347.374 3.501 0 1 EHAF CCn1ncc([C@@]2(C(F)(F)F)NCCc3ccc(F)c(C)c32)c1C 962375558 NXXJWLGFKAHQDT-MRXNPFEDSA-N 341.352 3.611 0 1 EHAF Cc1cccc(-c2cn(Cc3ccc(-c4cncnc4)cc3)nn2)c1 1857533579 VZRIBSCWFNIDIU-UHFFFAOYSA-N 327.391 3.759 0 1 EHAF Cc1cc2c(cc1C(=O)O)[C@H](C)CC[C@]1(C)[C@@H]2C[C@H](O)[C@@H]1C(C)(C)O 2356595079 RVEIOVWIASKTSD-KDLYDPTPSA-N 346.467 3.832 0 1 EHAF CCO[C@@H]1CC(=O)c2c(Br)sc(Br)c21 6019286 IZFVJTVELYDAAU-RXMQYKEDSA-N 340.036 3.937 0 1 EHAF COc1c2c(cc3occc13)O[C@@](OC)(c1ccccc1)C[C@H]2O 14677182 JGLSWGKFWYOQEY-AUUYWEPGSA-N 326.348 3.757 0 1 EHAF biogenic COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4c(c(C)c3CC[C@@H]21)CC(=O)O4 14921058 JEQZYODIZNIDJE-IOMROCGXSA-N 342.435 3.640 0 1 EHAF biogenic c1ccc(Cn2[nH]cc3nc(-c4ccc(-n5ccnc5)cc4)nc2-3)cc1 19781638 WHGNBMUZLPHJMW-UHFFFAOYSA-N 340.390 3.612 0 1 EHAF CCCCOC(=O)c1ccc(NC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 26832642 UITXTNXEIFGSBI-LXZKKBNFSA-N 330.428 3.954 0 1 EHAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)S1 26976747 VIWRFPMUWAORQS-DOTOQJQBSA-N 339.416 3.647 0 1 EHAF COc1cc([C@@H]2CCc3cc(OC)c(OC)c(OC)c32)ccc1O 27415576 HKQHXOBJCJITRA-ZDUSSCGKSA-N 330.380 3.505 0 1 EHAF CC(C)N(CCN[C@H]1c2ccccc2OCc2ncccc21)C(C)C 27868606 QQAMLROJZCNSPD-OAQYLSRUSA-N 339.483 3.772 0 1 EHAF CC(=O)NCCN(c1ccccc1)c1cccc(Br)c1 28864647 OKYAPNKEZRTVMT-UHFFFAOYSA-N 333.229 3.723 0 1 EHAF Cc1c2c(c3c([nH]c4ccc(O)cc43)c1-c1ccccc1)C(=O)NC2=O 34804034 QFXILJOVJDUVDE-UHFFFAOYSA-N 342.354 3.886 0 1 EHAF Cc1ccccc1CC1CCN(C(=O)c2nc3cc(O)ccc3[nH]2)CC1 36294461 OEULOVBHZYYJIF-UHFFFAOYSA-N 349.434 3.672 0 1 EHAF CCCCCCN1CCC(NCc2ccc(CN(C)C)cc2)CC1 45229268 LWSJOICIUHKWFX-UHFFFAOYSA-N 331.548 3.883 0 1 EHAF COc1ccc2c([C@@H](c3ccccc3)n3ccnc3)cc(=O)oc2c1 66113220 KGQBLIWKILTMQP-HXUWFJFHSA-N 332.359 3.636 0 1 EHAF Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2ccccn2)Nc2ncnn21 72105963 WDPFDEYCTLVXDM-KBPBESRZSA-N 329.766 3.612 0 1 EHAF Cc1cc2nc(C3CC3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C 103247282 NLGVJNCEKIIFQO-UHFFFAOYSA-N 344.422 3.627 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccoc3)cc2)C[C@@H]2CC[C@@H]1N2C 143946229 KAVKUIYDILEQNP-RDGPPVDQSA-N 325.408 3.686 0 1 EHAF CCO[C@@H]1C[C@H]1C(=O)Nc1cc2ccc(-c3cnccc3C)cc2cn1 144375714 MMVLDNJVKIMPTF-IEBWSBKVSA-N 347.418 3.969 0 1 EHAF C[C@]12C[C@H](C=O)C(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 253380197 DLZUBMGMHUNDLF-KNNBSPLESA-N 332.484 3.774 0 1 EHAF CCc1c(C)nc2c(-c3ccc(Cl)cc3)c(COC)nn2c1O 253496347 YHRKNXYMIUIKIG-UHFFFAOYSA-N 331.803 3.773 0 1 EHAF Cc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1F 586978742 FEONBLRWAYTRQP-UHFFFAOYSA-N 337.196 3.635 0 1 EHAF CCn1cc(Br)c(Cc2nc3ccc(Cl)cc3[nH]2)n1 587002223 XMZWIHPIJUZPDC-UHFFFAOYSA-N 339.624 3.786 0 1 EHAF Cc1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2n1 587020274 LDRQLFJXPSGDNH-UHFFFAOYSA-N 345.428 3.661 0 1 EHAF C[C@@H](F)[C@@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587123464 JZGWZYXKKBLSIJ-SPGJFGJESA-N 340.118 3.702 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)COC(C)(C)O3)O2 587413176 QKOVWDXYSOMIQN-SFHVURJKSA-N 339.391 3.929 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)O)cc1Cl)[C@@H](C2)C3=O 587421001 KHQIAAVUOHZDCY-SJCJKPOMSA-N 344.750 3.536 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCN([C@H](C)c4ccccc4)C1)[C@@H](C2)C3=O 587439579 VIRWPERUPPKMSM-JVJLVOBOSA-N 349.430 3.648 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccsc1C(=O)OC)CC2=O 587493322 FTTYRAZXQHERLW-OAHLLOKOSA-N 346.404 3.899 0 1 EHAF CCOC(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587515257 RNCQRKDWHRWFDE-UHFFFAOYSA-N 343.423 3.522 0 1 EHAF O=C1C[C@@H](c2cnn(-c3ccncc3)c2)Oc2c1ccc1c2CCCC1 587517304 KPCYDGWUVQXGKL-FQEVSTJZSA-N 345.402 3.853 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(-c2cccs2)nn1 587653041 BRGGKKPATSXUCC-UHFFFAOYSA-N 340.795 3.558 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCCO2)N1 587828878 AOZQEUGPQSMOSL-TURNYIBQSA-N 328.225 3.733 0 1 EHAF O=C(Cn1cnc2ccccc21)n1nc2cc1Oc1ccc(F)cc1-2 587875932 VQCYOYOCTZRNCB-UHFFFAOYSA-N 334.310 3.485 0 1 EHAF CCOC(=O)[C@@H]1CC(=O)c2sccc2[C@H]1c1ccccc1OC 653823833 MMCKYSWFBDOCTG-CZUORRHYSA-N 330.405 3.654 0 1 EHAF CC(C)[C@]12O[C@H]1CC1=C(CC[C@@H]3[C@]1(C)CCC[C@@]3(C)C(=O)O)[C@H]2O 653845469 PGHRSWJTZYEQGT-UXESJPJBSA-N 334.456 3.532 0 1 EHAF CON/C(=C\Br)c1sc(-c2ccccc2)nc1C 958043816 AXCXQGJQKJTHNQ-FLIBITNWSA-N 325.231 3.963 0 1 EHAF Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F 1772573512 QGIXOJCLJSPCPO-UHFFFAOYSA-N 330.216 3.878 0 1 EHAF CCc1ccc(-c2ccc(N[C@H]3CC[C@H](O)CC3)c(C(N)=O)c2)cc1 1857634340 GMFPGSWDPHJJPJ-IYARVYRRSA-N 338.451 3.730 0 1 EHAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3C[C@H]4[C@H]5C[C@@]3(CC[C@H]12)C[C@@]45C(=O)O 2356649314 IZVVICZFHFZOPG-SJUWDNSESA-N 332.440 3.795 0 1 EHAF CC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1 206257 OKIFMUFKAMXPLZ-UHFFFAOYSA-N 335.201 3.925 0 3 EHAF C[C@H]1CN(CC[C@H](O)C2CCCC2)CC[C@@]1(C)c1cccc(O)c1 13833046 QNGDZOWOJWOVFY-ORYQWCPZSA-N 331.500 3.933 0 1 EHAF CCCCc1nc(Cl)c(C2=NO[C@H](C(=O)Oc3ccccc3)C2)[nH]1 27197965 UYEJZVRPBKWHMF-ZDUSSCGKSA-N 347.802 3.504 0 1 EHAF C[n+]1ccn(CCCCCCCCCCCCn2cc[n+](C)c2)c1 73163425 JNUJNAJRIPVMPR-UHFFFAOYSA-N 332.536 3.540 0 1 EHAF COc1ccc(Oc2c(Cl)cnn(CC3CCCC3)c2=O)cc1 95597142 COYFICDIULMAGI-UHFFFAOYSA-N 334.803 3.888 0 1 EHAF CCCC[C@]12C[C@]1(C(=O)N(C)CC)C(=O)Nc1ccc(Cl)cc12 101049620 ORJLIOXADAPXQD-QZTJIDSGSA-N 334.847 3.589 0 1 EHAF CN(C)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148016268 VRMMHJPYOCNXKD-UHFFFAOYSA-N 334.379 3.714 0 1 EHAF COc1c2ccoc2c(OC[C@@H](OC)C(C)C)c2oc(=O)ccc12 238731234 KEOFOHNLDLZSGZ-CYBMUJFWSA-N 332.352 3.598 0 1 EHAF CCCCC[C@@H]1C=C[C@H]2C(=O)C[C@H](O)[C@@H]2CC=CCCCC(=O)O1 253685831 HZYSFMCHNGCKLZ-TVFCKZIOSA-N 334.456 3.731 0 1 EHAF CCNC(=O)Nc1nc2ccc(-c3cncc(OC)c3)cc2s1 299836608 NRQJNWMHLPKGKI-UHFFFAOYSA-N 328.397 3.508 0 1 EHAF [O-][n+]1ccccc1SCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586969131 GTWDYDGOEVRBSV-UHFFFAOYSA-N 343.305 3.647 0 1 EHAF Cc1cncc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587006301 DHSAWZYJKOOEGX-UHFFFAOYSA-N 328.173 3.572 0 1 EHAF CN(C)C(=O)c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 587057592 CCDPGURAGVRZAX-UHFFFAOYSA-N 327.815 3.703 0 1 EHAF Fc1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1Br 587086159 VBMLXFPCHBSDMC-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF OCc1ccc(F)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 587140818 ROJBUUDCOUNEBE-UHFFFAOYSA-N 339.139 3.763 0 1 EHAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(O)cc2[nH]1)C(C)(C)C 587205226 NZFRXQVGWPGVGY-CQSZACIVSA-N 333.432 3.750 0 1 EHAF CNc1cccc(-c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)c1 587232849 DFSLSTOBZNASJB-UHFFFAOYSA-N 349.419 3.723 0 1 EHAF COc1ccc2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)sc2c1 587415945 ZKMHOILAPCYCLP-OAHLLOKOSA-N 340.404 3.902 0 1 EHAF CCOc1cc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)ccc1C 587779208 YRYNNGPSDXOTQJ-UHFFFAOYSA-N 339.439 3.877 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS[C@@H]2C)N1 587855599 GTSIEXBUUQUVMR-NUPCCRGMSA-N 330.266 3.843 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN1CCCCC1 587873051 UMRKXZGWQLQYAI-UHFFFAOYSA-N 345.418 3.604 0 1 EHAF COc1cc(OC)c([C@@]2(C)NCCc3c2sc(C)c3C)c(OC)c1 963016412 YQAHFFGERSHCMH-LJQANCHMSA-N 347.480 3.800 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1cccc2c1CCC2 963638316 TVOXVTUEZUYKMI-PEBXRYMYSA-N 337.463 3.990 0 1 EHAF Cc1ncccc1Oc1sc(C(N)=O)c2c1-c1sncc1CC2 1772642552 AIRVMUGRIFXGRE-UHFFFAOYSA-N 343.433 3.565 0 1 EHAF COc1ccc(CN2CCC(O)CC2)cc1-c1cccc(Cl)c1 1857565921 MQYCEDWXZDBANO-UHFFFAOYSA-N 331.843 3.972 0 1 EHAF CC[C@H](C)N(CC)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1 1857755240 QNIPMHRRIOPYBI-INIZCTEOSA-N 340.467 3.990 0 1 EHAF CO[C@@H]1CC=C(C)C[C@H]2O[C@@H]3NC(=O)C1=C3[C@@H]2[C@@H](C)CCC=C(C)C 2356581299 REDHHRSNTYUBNT-BVKCEDBHSA-N 345.483 3.892 0 1 EHAF c1ccc(OCCNc2ccn3nc(-c4ccccc4)cc3n2)cc1 61930321 OAVXVYWQAXZEHQ-UHFFFAOYSA-N 330.391 3.887 0 3 EHAF Cc1cnc(CNc2ncncc2-c2ccccc2C(F)(F)F)cn1 4268421 NHHPNKJIMKBERS-UHFFFAOYSA-N 345.328 3.873 0 1 EHAF Cc1cccc2c1Sc1ccccc1[C@H]2NC(=O)CCN(C)C 5722586 ALIQVRVVXGOJJS-GOSISDBHSA-N 326.465 3.617 0 1 EHAF CCc1nc(SC)ncc1C(=O)N[C@H](C)CCc1ccccc1 6938401 IZFPASLLZPYFAL-CYBMUJFWSA-N 329.469 3.512 0 1 EHAF Cc1nc(NC(=O)CN2CCC(Cc3ccccc3)CC2)sc1C 9997000 SSWUJNFKLTUDDX-UHFFFAOYSA-N 343.496 3.653 0 1 EHAF COc1cc2occc2c2oc(-c3ccc4c(c3)OCO4)cc(=O)c12 13340704 KXMKNCBSCHINMT-UHFFFAOYSA-N 336.299 3.944 0 1 EHAF biogenic CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CO)CC[C@]4(C)[C@H]3CC[C@]12C 13760817 QWHOPGBLPQXRQI-HMWSDPSDSA-N 348.527 3.958 0 1 EHAF Clc1ccc2ccn(CCN3CCCN4CCCC[C@@H]4C3)c2c1 22940028 VUPZTBCFGWVULV-GOSISDBHSA-N 331.891 3.855 0 1 EHAF CCOC(=O)c1c[nH]c(=S)n1[C@H](CC)c1ccc(F)c(F)c1 28355521 YMRHTWPUSFANPA-GFCCVEGCSA-N 326.368 4.000 0 1 EHAF O=C(O)C(=O)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 40822569 PIUUADZVMCSESL-UHFFFAOYSA-N 340.360 3.626 0 1 EHAF Brc1ccc2c(c1)ncc1nc(-c3ccncc3)[nH]c12 82151545 CWVKIJDUIWLHFC-UHFFFAOYSA-N 325.169 3.936 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](N)[C@]12C 95585022 RYKSBGHKLZYNDO-DAVHWALQSA-N 333.516 3.532 0 1 EHAF CC/C(=C\c1ccc(O[C@@H](C)C(=O)O)c(Cl)c1Cl)[N+](=O)[O-] 169340547 RNYYKOWWMVGPHR-QCCBYXMRSA-N 334.155 3.873 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CNC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253635859 UOHCSROFYMVISA-IFKFXWNZSA-N 347.499 3.687 0 1 EHAF CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255209111 FGDFFHLIMDMCJI-USZQMGBZSA-N 334.500 3.566 0 1 EHAF CCc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1Br 586975972 APMNQZYWHFMWKK-UHFFFAOYSA-N 344.212 3.654 0 1 EHAF O=C(O)c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1F 587080765 PJNFHNYEDYGHQY-AWEZNQCLSA-N 332.718 3.730 0 1 EHAF COc1c(F)ccc(F)c1-c1nc2cc(Br)ncc2[nH]1 587133232 PWBKIGOVQHOALI-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF Cc1cnc(Cl)c2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc12 587177370 GGTBTUFRKKLSEG-UHFFFAOYSA-N 331.782 3.721 0 1 EHAF Fc1cc(F)c2[nH]c(-c3cc(Br)cnc3F)nc2c1 587177832 BLKVWKYCFVCKBU-UHFFFAOYSA-N 328.091 3.805 0 1 EHAF Cc1cc(C)c(O)c(-c2nc3cccc4c3c(c2CC(=O)O)CC4)c1 587216187 VPHJNBPPVUXEJW-UHFFFAOYSA-N 333.387 3.950 0 1 EHAF COc1cc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1C 587216751 LEVZIJFFEGCUBN-MRXNPFEDSA-N 337.423 3.608 0 1 EHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587242017 NKPQVLSCNZPUGA-UHFFFAOYSA-N 337.379 3.943 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1nc4cc(C)c(C)cc4[nH]1)[C@@H](C2)C3=O 587437180 FIFUXGIGNAXEMP-ORAYPTAESA-N 334.375 3.677 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnc([C@H]4C[C@H]4C)s1)[C@@H](C2)C3=O 587452541 NYRAAPBWDVYECS-DXVWRSMCSA-N 327.405 3.764 0 1 EHAF C[C@@]1(c2cccc(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580157 QZJTZAGLKNGKDS-NQIIRXRSSA-N 347.370 3.851 0 1 EHAF COc1ccccc1CC(=O)c1nc2c(Br)cccc2[nH]1 587930879 QFZXOCIISKIOSS-UHFFFAOYSA-N 345.196 3.759 0 1 EHAF O=C(O)Cc1ccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587962146 SOHJAKJMONIJCI-UHFFFAOYSA-N 336.725 3.712 0 1 EHAF COc1ccccc1-c1cn2c(NC(=O)c3ccccc3)cnc2cn1 653671300 YQFLJDNOOGIAPN-UHFFFAOYSA-N 344.374 3.657 0 1 EHAF COc1ccc([C@]2(c3ccsc3)NCCc3ccc(O)cc32)cc1 963329086 KVKWPQLVYTWRQR-HXUWFJFHSA-N 337.444 3.900 0 1 EHAF COc1cc(Nc2nccc3c(C(C)C)[nH]nc23)cc(OC)c1OC 1772647077 WAOBZDDYYBKGGK-UHFFFAOYSA-N 342.399 3.851 0 1 EHAF CC(C)(C)OC(=O)Cc1cn2nc(-c3ccc(Cl)cc3)ccc2n1 1857585349 DQBCOFLUAQELJT-UHFFFAOYSA-N 343.814 3.934 0 1 EHAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@H](N)C2 1857594793 KBBAPXTZBPSXLZ-JTQLQIEISA-N 343.477 3.799 0 1 EHAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC[C@H](O)CCCC=C2 1857627599 NGLVGORGJHOUAU-GOEBONIOSA-N 348.439 3.977 0 1 EHAF COc1ccc2c(c1)CC[C@H](C(=O)c1ccc(OC)c(OC)c1)C2 1857639185 WLQLXXALTLNETD-HNNXBMFYSA-N 326.392 3.700 0 1 EHAF CC(C)CCC[C@H](C)CCC[C@]1(C)O[C@@H]([C@@H](C)O)[C@@H]([C@H](C)O)O1 2356395763 VWFGBMFJJPHJPW-YCOHNSLCSA-N 330.509 3.881 0 1 EHAF COc1ccc(F)cc1OCCNCCc1c[nH]c2ccc(F)cc12 13581090 PNVBKHYIFLYIKZ-UHFFFAOYSA-N 346.377 3.666 0 1 EHAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@H]1c1ccncc1 26569507 PNKJZOMCMLOKCF-XMGGNUPJSA-N 344.411 3.529 0 1 EHAF c1ccc2c(c1)O[C@H](N1CCCC1)c1cnc(N3CCCCC3)nc1-2 29208333 COAILOKYNHYDRT-IBGZPJMESA-N 336.439 3.621 0 1 EHAF COc1cc(O)c2c(c1)/C=C/CCC[C@H](O)CCC[C@H](C)OC2=O 34074867 JVYBAZCPWDLGCX-KHKWHVMBSA-N 334.412 3.674 0 1 EHAF O=C(N[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1)c1ccccc1 39246756 WVDVFQKXRHFYJK-UZLBHIALSA-N 345.446 3.660 0 1 EHAF CSc1nc(NC2CC2)c(C(=O)O)c(SCc2ccccc2)n1 53230898 UXZKKCQLIWEHGV-UHFFFAOYSA-N 347.465 3.763 0 1 EHAF C[C@@H](CCC[C@@](C)(O)CCC[C@@H](C)CO)CCC(=O)[C@@H](C)CCO 64624815 KVWYIWRSDKQRFM-HLNWXESRSA-N 344.536 3.710 0 1 EHAF in-vitro Cc1ccccc1-c1cc(=O)n(C[C@@H]2CCCNC2)c2ccccc12 95588481 BELSRMINJKGCEV-QGZVFWFLSA-N 332.447 3.977 0 1 EHAF Cc1ncn(-c2ccc(Nc3cc(-c4nocc4C)ccn3)cc2)n1 103235687 UTGPUHPCLJSYPL-UHFFFAOYSA-N 332.367 3.678 0 1 EHAF COCCO/C(O)=C1\C(C)=NC(S)=N[C@@H]1c1ccccc1Cl 103911249 INYYUDLEDXZDHC-MNWMYKRDSA-N 340.832 3.574 0 1 EHAF CCOc1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O 199906566 KXSSAMOSTHGQQZ-UHFFFAOYSA-N 343.386 3.798 0 1 EHAF CC1(C)OC(=O)C[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 586910459 PALLJABSQWVQOH-QMMMGPOBSA-N 330.331 3.984 0 1 EHAF Cc1ccnc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c12 587023072 JHNXCJJHVOAZHO-UHFFFAOYSA-N 331.401 3.737 0 1 EHAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(O)ccc3[nH]2)s1 587023668 SWZIRNOBAQTSRX-UHFFFAOYSA-N 332.385 3.739 0 1 EHAF O=C1COc2cc3[nH]c(-c4ncsc4-c4ccccc4)nc3cc2N1 587028308 QFTAMYABLXJAHR-UHFFFAOYSA-N 348.387 3.684 0 1 EHAF FC1(F)Oc2cc3nc(-c4csc5c4CCOC5)[nH]c3cc2O1 587031333 DVPWVSIZGRWBCZ-UHFFFAOYSA-N 336.319 3.686 0 1 EHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587042059 HPPVMYJOVCMIDB-NSHDSACASA-N 341.839 3.976 0 1 EHAF COc1nccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c12 587068654 DHWLFGSVQQNAQU-SNVBAGLBSA-N 329.787 3.996 0 1 EHAF COC(=O)c1cccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c12 587150560 LYMJLPDRLIDOCM-VIFPVBQESA-N 332.306 3.768 0 1 EHAF COc1nccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587229579 IDPDYHZYXMQSRE-UHFFFAOYSA-N 331.379 3.641 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccc4)nc1)[C@@H](C2)C3=O 587436695 RWMRKLCDUWHLQT-JXFKEZNVSA-N 344.370 3.641 0 1 EHAF COc1cc(C)ccc1OCc1nc2cc(C(F)(F)F)cnc2[nH]1 587564804 YHTLDEOWTGJGGY-UHFFFAOYSA-N 337.301 3.873 0 1 EHAF Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587587134 LASDXJSYYNJOSG-YLJYHZDGSA-N 333.343 3.799 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc[nH]c12 587592954 ZPOXMFNHEOXHSH-UWJYYQICSA-N 347.370 3.914 0 1 EHAF O=Cc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601805 HTMDQHOIEOOUNG-WIYYLYMNSA-N 346.338 3.908 0 1 EHAF O=C(CC1CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655824 GBMOXIPRRMOIDI-UHFFFAOYSA-N 340.329 3.782 0 1 EHAF O=C(O)[C@@H]1C[C@H]2C[C@H]1[C@]1(C2)c2ccsc2CCN1Cc1ccco1 962704205 JJFUMJFKNLQVNN-AXJQOJOCSA-N 343.448 3.725 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C 2356402135 ZQBRPFALTAJQEA-VIPLHTEESA-N 336.472 3.540 0 1 EHAF COc1ccc2c(c1)C(c1cccs1)=NNC(c1cccnc1)=N2 5485334 JVMNEFSNGCZNIL-UHFFFAOYSA-N 334.404 3.586 0 1 EHAF CC1=C(C(=O)NCc2ccc(Cl)cc2)C2(CCCCC2)OC1=O 6921088 XPQACKIWZBNXNR-UHFFFAOYSA-N 333.815 3.532 0 1 EHAF CC(C)=CCc1c2c(c(O)c3c(=O)cc(CO)oc13)C=CC(C)(C)O2 13404249 PAQKJWKFKAWEAX-UHFFFAOYSA-N 342.391 3.684 0 1 EHAF biogenic Clc1ccc(OCCc2ccccc2)c(CCN2CCOCC2)c1 13795776 ICIMYSGOYSELPS-UHFFFAOYSA-N 345.870 3.836 0 1 EHAF COc1cc(NCCCCCN[C@H]2CCCO2)c2ncccc2c1 26486061 RAVZFWVUIHVITF-GOSISDBHSA-N 329.444 3.552 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ccccn2)/C1=C(\O)OC(C)(C)C 27558831 XHBDIQDATGVISG-BXWAGETQSA-N 331.372 3.733 0 1 EHAF COc1ccc(C(=O)Oc2cc3occc3cc2C(C)=O)cc1OC 28464676 MQJWBPKUEWRXJU-UHFFFAOYSA-N 340.331 3.872 0 1 EHAF CCCc1c(Sc2c(C)cccc2C)[nH]c2nc(N)nc(N)c12 40917773 NNGNKQIKCOBEOX-UHFFFAOYSA-N 327.457 3.843 0 1 EHAF Nc1cccc(Nc2ncnc3c2ncn3CCc2ccc(F)cc2)c1 40935377 QNLWFYILVPSZEM-UHFFFAOYSA-N 348.385 3.534 0 1 EHAF Clc1ncn2c1Cn1ncnc1-c1cc(-c3ccccc3)ccc1-2 49020974 DXRZFDYGJGBYNQ-UHFFFAOYSA-N 333.782 3.813 0 1 EHAF Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccccc3F)C2)cc1C 53230080 FFHSFKHBUUUYTG-QGZVFWFLSA-N 327.428 3.837 0 1 EHAF C[C@@]1(c2cccc(-c3cccnc3)c2)N=C(N)C(c2ccccc2)=N1 95579653 QCKWDUXMUOHHDA-NRFANRHFSA-N 326.403 3.781 0 1 EHAF Fc1ccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 96928128 YENGJFWDWGIBAS-UHFFFAOYSA-N 348.425 3.638 0 1 EHAF C[C@@]12CC3CC(C(=O)NC(=S)N4CCCCC4)(C1)C[C@@](C)(C3)C2 100463436 NXIDHFGQIKRMOT-MJGSYPLASA-N 334.529 3.870 0 1 EHAF O=C(O)c1ccc2c(c1)N=C(c1ccccc1)N(Cc1cccnc1)C2 169356410 UQHBJSKLWGAGRE-UHFFFAOYSA-N 343.386 3.874 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccnc(Cl)c2[nH]1 586916103 KGKQDXWKEBGFKI-XIKOKIGWSA-N 341.798 3.828 0 1 EHAF N=c1[nH]c2nc(/C=C/c3cccc(Cl)c3Cl)nc-2c(Cl)[nH]1 587054292 NZPXCRAMRWBXRL-SNAWJCMRSA-N 340.601 3.848 0 1 EHAF COc1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1OC 587080772 POGYFLNCPJYWIK-INIZCTEOSA-N 330.771 3.910 0 1 EHAF Cc1ccc2c(ccc3nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c32)n1 587094203 MQLGEKDTQOFFSD-VIFPVBQESA-N 336.317 3.549 0 1 EHAF Cc1cc2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc2c(C)n1 587108968 JZGBPDIMMLUSLR-UHFFFAOYSA-N 335.285 3.959 0 1 EHAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)cnc2[nH]1 587116346 UOYJTWSIBJMYBX-UHFFFAOYSA-N 336.104 3.684 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cncc(Br)c1)O2 587372186 OHJVUEQRBKNEND-INIZCTEOSA-N 347.212 3.615 0 1 EHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1Cl 587376802 UBNMLTYHOLRLMJ-MRXNPFEDSA-N 347.798 3.954 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Cn3ccnc3)c1)O2 587392231 XQMLHVJEDDIQSO-IBGZPJMESA-N 333.391 3.529 0 1 EHAF CCOC(=O)c1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)oc1C 587403356 HGRJKSGKQTXZAL-IBGZPJMESA-N 343.379 3.536 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(CN1CCCCCC1)CC2=O 587475534 OWTFOZAVUNBAGJ-HXUWFJFHSA-N 331.456 3.945 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CCC(C)(C)C(=O)O)CC2=O 587478717 BPAONEWRCAURTD-LJQANCHMSA-N 334.412 3.960 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)OCO3)CC2=O 587484559 GVFWWAWALYCMAA-HXUWFJFHSA-N 340.375 3.954 0 1 EHAF O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)[nH]c2c(C(=O)O)cccc12 587637174 DCFYCMIOSMLMHB-UHFFFAOYSA-N 347.729 3.953 0 1 EHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(CO)cc2[nH]1 587928237 ZBTRIGDFAUVUIN-CQSZACIVSA-N 326.396 3.614 0 1 EHAF O=S(=O)(c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1)C(F)(F)F 587967936 UUCRNBFSIWKBDV-IQJOONFLSA-N 342.342 3.536 0 1 EHAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1ncc(Cl)cn1 962716748 VWCUUKKCTAFDFF-WBMJQRKESA-N 349.862 3.722 0 1 EHAF Fc1ccc(-c2nnc(COc3ccc(-c4nnco4)cc3)o2)cc1 1857614172 YQELSRNHDHLIMJ-UHFFFAOYSA-N 338.298 3.505 0 1 EHAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1ccc2c(ccn2C)c1 2356762235 IXJQBERGWKZQMS-UYAOXDASSA-N 339.483 3.515 0 1 EHAF O=C(O[C@@]12CCCN(C1)/C(=C/c1cccnc1)C2)c1cccc(F)c1 96018863 JQRHWKBPUGFIBW-ACEGTKJHSA-N 338.382 3.657 0 3 EHAF Fc1ccc(Oc2cc(-n3cncn3)nc(-c3ccccc3)n2)cc1 384980 YLFSWVQSEMPQPT-UHFFFAOYSA-N 333.326 3.656 0 1 EHAF O=C(c1cccc(F)c1)c1coc2ccc(Br)cc2c1=O 5175501 NBVOEHPINQDHAJ-UHFFFAOYSA-N 347.139 3.926 0 1 EHAF CC1CCN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)CC1 6138334 ILQUIZFZJOJAPA-UHFFFAOYSA-N 334.423 3.558 0 1 EHAF COc1ccc2c(=O)c(Cn3ccnc3)c(-c3ccccc3)oc2c1 13861995 IXJJJDBWGBTNJP-UHFFFAOYSA-N 332.359 3.713 0 1 EHAF C[C@H](C(=O)N(C)C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27556586 DVZKXLYXWWQKDT-CFVMTHIKSA-N 331.481 3.973 0 1 EHAF CCOC(=O)c1c(O[C@@H]2CCC[C@@H](C)[C@@H]2C)c(CC)c(C)[nH]c1=O 40431106 WSTNUSIDCUJELH-TYNCELHUSA-N 335.444 3.626 0 1 EHAF O=C(c1ccc(O)c(F)c1)N(c1ccc(O)cc1)c1ccc(O)cc1 96173897 VLJZTJRWPPMWCP-UHFFFAOYSA-N 339.322 3.921 0 1 EHAF COC1=C[C@@H]2[C@@H](C=C1)Sc1ccccc1N2C[C@H](C)CN(C)C 169296095 WNYJOWFYNPMSRO-LSBZLQRGSA-N 330.497 3.634 0 1 EHAF CCCCn1c(=O)c2c(c3cc(C(=O)N(CC)CC)ccc31)CCC2 169328405 AZBQLWMEYWLNBC-UHFFFAOYSA-N 340.467 3.772 0 1 EHAF COc1cc(OC)c2[nH]c([C@H](O)[C@H](C)c3ccc(C)cc3)nc2c1 586885409 CEBDPMHWZUSEMA-KZULUSFZSA-N 326.396 3.726 0 1 EHAF Oc1nncc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587015699 IEKRUVJJAPEXJI-UHFFFAOYSA-N 329.772 3.502 0 1 EHAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(CO)ccc3[nH]2)s1 587023707 UTORDIHUIAUBOL-UHFFFAOYSA-N 346.412 3.526 0 1 EHAF N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1Cl 587057639 QEUGRXGKVKUDMY-ZDUSSCGKSA-N 343.814 3.620 0 1 EHAF Cc1cc(-c2nc3ncncc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144668 MXKCKCBUHKSVHS-UHFFFAOYSA-N 348.337 3.833 0 1 EHAF CO/C=C/[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346017 AQLAFRGDNDJHIQ-OYEZICKXSA-N 328.339 3.809 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1c(C)cccc1C)O2 587401997 UYSUBIRUBOLBIN-HXUWFJFHSA-N 325.408 3.997 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C1(C)CC1)CC2=O 587478795 HFBNZJHMSUPWMA-HXUWFJFHSA-N 346.423 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)O)cc1)CC2=O 587489050 MMQWOCUFDASWAH-QGZVFWFLSA-N 326.348 3.749 0 1 EHAF COC(=O)c1ccc2nc(COc3cccc(C)c3C)[nH]c2c1OC 587564843 ZEJHVZBZGQHUBR-UHFFFAOYSA-N 340.379 3.554 0 1 EHAF COc1ccc(-c2ccc(-c3nc4cnncc4[nH]3)cc2)cc1OC 587928466 FTPSCMALGCIHRV-UHFFFAOYSA-N 332.363 3.704 0 1 EHAF COc1cccc(C2(c3nc4c(Cl)ncnc4[nH]3)CCCC2)c1 587932526 ZMULJZYIXMMKSS-UHFFFAOYSA-N 328.803 3.875 0 1 EHAF C[C@@H]1CC=CC[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587967873 UIBLYNOEJUTRSN-TZMCWYRMSA-N 335.411 3.692 0 1 EHAF COc1ccc([C@@H]2c3ccsc3CCN2Cc2cccn2C)cn1 962396953 IEUJZBIJKAHKIG-LJQANCHMSA-N 339.464 3.638 0 1 EHAF COc1ccc2c(c1)[C@H](c1cc(OC)c(C)cc1OC)N[C@@H]1CC[C@H]21 962998256 UBSIZZRYUKKWSW-FQELHTAISA-N 339.435 3.959 0 1 EHAF O=C1Nc2ccccc2C1=Cc1c(-c2ccncc2)nc2sccn12 1857596484 OHYBNCKPKIHMHL-UHFFFAOYSA-N 344.399 3.951 0 1 EHAF Cc1onc(-c2ccccc2)c1C(=O)N(C)c1ccc(C(=O)O)cc1 1857602503 YRGFNUKTVBILLW-UHFFFAOYSA-N 336.347 3.625 0 1 EHAF CCOC(=O)[C@H]1CCCN(C(=O)c2oc3ccccc3c2C)CC1 61907465 KXLJYXFXZBTXRN-AWEZNQCLSA-N 329.396 3.547 0 3 EHAF C1=Nc2ccccc2/C1=C1/NN=C(SCc2cn3ccccc3n2)O1 136995882 MHQNDGNSHGAESV-VKAVYKQESA-N 347.403 3.543 0 3 EHAF c1ccc2[nH]c(C[C@@H](c3nc4ccccc4[nH]3)[C@H]3CCCO3)nc2c1 490484 HPCNQEOWJMLLPC-FZKQIMNGSA-N 332.407 3.945 0 1 EHAF biogenic CC(=O)OC1=C(c2ccc(C)cc2)Oc2cccnc2-n2cccc21 13491323 ZYGJVPLWHKIKHY-UHFFFAOYSA-N 332.359 3.962 0 1 EHAF CCC(=O)NCCc1cc2c(OC)cccc2n1Cc1ccccc1 13781146 UVYVSVRUORMKJQ-UHFFFAOYSA-N 336.435 3.767 0 1 EHAF C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)c1ccc2c(c1)OCO2 14646494 CQXBMXDDWLNDQB-QWHCGFSZSA-N 340.375 3.842 0 1 EHAF biogenic COc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc(Cl)c1O 48877449 DIWATMOADWXJBT-UHFFFAOYSA-N 346.770 3.759 0 1 EHAF O=C(CCc1ccccc1)Nc1cc2cc[nH]c(=O)c2cc1Cl 49034468 VKNZIKSPVZFIJW-UHFFFAOYSA-N 326.783 3.753 0 1 EHAF COc1cc(-c2ncoc2-c2ccc(N(C)C)cc2)cc(N)c1OC 64491855 XRSPCNJWMMVSMW-UHFFFAOYSA-N 339.395 3.674 0 1 EHAF Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)CS2)cc1 73296577 VJEUAMRGXUPVET-KRWDZBQOSA-N 335.432 3.776 0 1 EHAF COc1ccc2c(c1)[C@@]13CCN(CC4CC4)[C@H](C2)[C@@H]1C[C@H](C)C(=O)C3 100785901 YMCAJSSZWHVMMT-SHXMKPCDSA-N 339.479 3.589 0 1 EHAF Cc1ccccc1-c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1 103255604 DJXADPDNJXCWOH-UHFFFAOYSA-N 337.427 3.870 0 1 EHAF in-vitro CCCCN(CC)CCCn1cnc2c3ccccc3nc-2c1O 103591545 WZFGEXHBGSLJCU-UHFFFAOYSA-N 326.444 3.754 0 1 EHAF C[C@@H]1C[C@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCC1=CCOC1=O)[C@]32C 238748589 VAGWFVOITDPYDG-OZZRQTCFSA-N 330.424 3.564 0 1 EHAF Cc1cc2nc(CCNC(=O)c3ccccc3Cl)[nH]c2cc1C 299858267 GFRAUERKLGDTEV-UHFFFAOYSA-N 327.815 3.806 0 1 EHAF FC(F)(F)c1ncc2nc([C@@H]3C[C@]34CCc3ccccc34)nc-2[nH]1 586884387 HQCAEUZVQYGEJE-ZBEGNZNMSA-N 330.313 3.695 0 1 EHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587041838 GSOGLDAYIJNVSP-VIFPVBQESA-N 343.374 3.600 0 1 EHAF COc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)c(C(F)(F)F)c1 587095536 JLFXNGCZHCAJNM-UHFFFAOYSA-N 328.681 3.652 0 1 EHAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587196554 VQKJZVAYEWSIOD-SNVBAGLBSA-N 327.359 3.618 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(Cc3ccccc3)n1)O2 587392190 ROXVXBUMKFQKBD-LJQANCHMSA-N 333.391 3.529 0 1 EHAF COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587397129 SYEZTIJOYFDAGO-GOSISDBHSA-N 349.390 3.682 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnc[nH]1)(c1cccc(C)c1C)O2 587397488 WIIQFSORFVLPNW-OAQYLSRUSA-N 347.418 3.826 0 1 EHAF CC[C@]1(c2ccc(C(=O)O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587409832 WUXJUZUSGGMLHE-LJQANCHMSA-N 325.364 3.546 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC)c1C)[C@@H](C2)C3=O 587443499 QQJASOWWYYMEGA-XOBRGWDASA-N 340.375 3.510 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1OC)CCC4)[C@@H](C2)C3=O 587444520 TZQHQXYXJIJXRY-KKSFZXQISA-N 336.387 3.681 0 1 EHAF O=C1C[C@]2(C[C@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 587529519 OSNFFKGWUXJUQU-JTSKRJEESA-N 348.398 3.998 0 1 EHAF O=C1Oc2ccccc2[C@H]2Nc3cccnc3[C@@H](c3ccccc3)[C@H]12 1857597267 DZHNBDLDRJENOO-GBESFXJTSA-N 328.371 3.916 0 1 EHAF COc1cc(-c2cnc3c(N4CCCCC4)snc3c2)ccc1N 1857633622 FMLYYOXRBZECSZ-UHFFFAOYSA-N 340.452 3.939 0 1 EHAF CO[C@H](C=Cc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1 2356407477 ZZFXUFPDEDISBX-VQTJNVASSA-N 328.408 3.510 0 1 EHAF O=C(O)CCCC=C1C[C@@H]2[C@@H](C=C[C@@H](O)C3CCCC3)[C@@H](O)C[C@H]2C1 2356499437 DKLGLHQHLFISGJ-OBKDMQGPSA-N 348.483 3.682 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@](C)(O)[C@]12C 2356604901 KGZOYCGNWWQQRH-KGFWFAMKSA-N 346.423 3.892 0 1 EHAF COC1=CC(=O)O[C@@H](c2coc(C(C)=Cc3ccc(Cl)[nH]3)n2)[C@@H]1C 2356615603 HVDWUEDXQDMWCX-QLJPJBMISA-N 348.786 3.981 0 1 EHAF Oc1ccc2cc1-c1cc(cc3c1OCO3)CCCC[C@H](O)CC2 2356639792 DLYMTNNKOZRPCI-HNNXBMFYSA-N 326.392 3.808 0 1 EHAF CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)N1CCC(C)CC1 4847741 SBNJNXRFWDMEMI-SFHVURJKSA-N 341.503 3.948 0 3 EHAF COCCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(C)C 12020022 JFZQYRHTIPMPDA-UHFFFAOYSA-N 343.349 3.612 0 3 EHAF COc1cccc([C@@H]2N(c3ccc(Cl)cc3)C(=O)[C@@H]3CCCN32)c1 250446593 PPXLBJNNEIGDGJ-ROUUACIJSA-N 342.826 3.858 0 3 EHAF CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1C1CCCCCC1 427197 ATWUPPDIQIBNRK-KBXCAEBGSA-N 328.456 3.821 0 1 EHAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccsc3)nc21 5841993 DMCPRSCBJQRXFA-UHFFFAOYSA-N 336.420 3.953 0 1 EHAF CN(C)CCCNc1nc(-c2ccc(N(C)C)cc2)cc2ncccc12 13489186 RIFJEHHZVBQMIR-UHFFFAOYSA-N 349.482 3.726 0 1 EHAF c1ccc2c(c1)Oc1ncccc1[C@@H]2SCCCN1CCOCC1 25967677 JISHCRWFZCBGMN-GOSISDBHSA-N 342.464 3.732 0 1 EHAF COc1cccc(NC(=O)c2ccc([S@@](=O)c3ccccc3)o2)c1 28458173 RFGVCMAWUAVBHG-XMMPIXPASA-N 341.388 3.707 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)C[C@H]5O[C@H](C[C@]12C)[C@@H]3[C@]45C 29123381 OQORSKKNPQZFPN-TWTWHMCASA-N 332.484 3.582 0 1 EHAF CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CI)C1 36271536 OCCOPDTVLJQBPD-YPMHNXCESA-N 349.643 3.810 0 1 EHAF O=C(NCC1CCNCC1)c1ccc(F)cc1-c1cccc(Cl)c1 49047766 ONYVJEKQBYNVIG-UHFFFAOYSA-N 346.833 3.876 0 1 EHAF Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)ccc3F)sc2n1 70454759 DOMRFXCFPRIYBL-UHFFFAOYSA-N 347.390 3.704 0 1 EHAF Cc1cccc(-c2csc(N3CCC[C@H]3C(=O)NCC(C)C)n2)c1 82191979 JZXBHJBFYDXQFS-KRWDZBQOSA-N 343.496 3.860 0 1 EHAF CC(C)[C@]1(c2cccc(-c3cccc(Cl)c3)c2)NC(=N)N(C)C1=O 84633425 VWORSAPPCITGHN-LJQANCHMSA-N 341.842 3.855 0 1 EHAF Cc1ccnc(CCc2cccc([C@@H](N)Cc3cc(C)cc(N)n3)c2)c1 98209391 NRRPWROZZNIOKD-NRFANRHFSA-N 346.478 3.703 0 1 EHAF in-vitro CC(=O)OC[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccc(Cl)c1 100806999 NULBFCVSTMAXPP-UKBYHSFSSA-N 331.843 3.769 0 1 EHAF COc1cccc(C(=O)N2CCC(=CC#Cc3cccc(C)n3)CC2)c1 142165615 RKYZXRFHJBMXQG-UHFFFAOYSA-N 346.430 3.613 0 1 EHAF Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1Cl 146689831 BJFOUULYELAMPD-UHFFFAOYSA-N 343.770 3.506 0 1 EHAF COc1cc2cncc(Cc3ccc4c(c3)CCN4C)c2cc1OC 205655698 CWTFFIXKTCNZPU-UHFFFAOYSA-N 334.419 3.835 0 1 EHAF O=C(NCc1cccc(Cl)c1Cl)[C@H]1CCOc2ncsc21 220851100 RGIVXVQFMNFHDQ-VIFPVBQESA-N 343.235 3.632 0 1 EHAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](CC[C@]3(C)O[C@@H]3CC1)[C@H](C)C(=O)O2 299814898 WDEIQHZSEQJHHX-ADXOPFBHSA-N 336.472 3.763 0 1 EHAF Cc1ccc(NS(=O)(=O)c2ccc3[nH]c4cnccc4c3c2)cc1 473121842 HLMADTRDMAMHFX-UHFFFAOYSA-N 337.404 3.825 0 1 EHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cncc(Cl)c2[nH]1 586882178 LJWZFCZIJAMKPI-UHFFFAOYSA-N 327.771 3.540 0 1 EHAF COC(=O)c1ccnc2[nH]c([C@@H](C)SCc3ccccc3)nc12 586962462 SCHRHLPWMMSETQ-LLVKDONJSA-N 327.409 3.739 0 1 EHAF Cc1cc(F)c2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c1 587038658 KKUMLRBWLBMJAV-UHFFFAOYSA-N 349.391 3.876 0 1 EHAF COc1cc2c3c(c1)O[C@@]([C@H](C)O)(C1(C)CCCCC1)[C@@H](C2)C3=O 587450460 MAJJYUHXWXCYII-NRKGENKXSA-N 330.424 3.533 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-n1cncn1)CC2=O 587476524 PMVAYSLPWHHDKK-IBGZPJMESA-N 349.390 3.632 0 1 EHAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(-c3ccncc3)c2c1 587650411 UVEMSOJDCZCXEK-UHFFFAOYSA-N 340.326 3.652 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncs2)N1 587851795 CNESFVQSWYPMGQ-WPPNPWJKSA-N 327.222 3.668 0 1 EHAF COc1cccc(C2(c3nc4cnc(Cl)[nH]c-4n3)CCCC2)c1 587931071 LIKSTUFTCMMMNF-UHFFFAOYSA-N 328.803 3.827 0 1 EHAF COc1cc(C)c(OC)n1-c1cc2cnccc2c(Br)n1 587942447 YTYKQBPZTHAHLF-UHFFFAOYSA-N 348.200 3.509 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnn(CC(F)F)c2C)N1 962951548 UBZJDRYTUXSNNZ-HXPMCKFVSA-N 344.409 3.952 0 1 EHAF Cc1cccc(Nc2ncc(C(N)=O)c(Nc3cccc(C)c3)n2)c1 1772642371 AEXXRQYENGDKCY-UHFFFAOYSA-N 333.395 3.680 0 1 EHAF C[C@@H]1C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@]1(O)CCC1=COC(=O)C1 2356414707 OKDWSVYZQIQRLH-MQDHTHGESA-N 336.472 3.562 0 1 EHAF COC(=O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1 3815750 ZZCMAOOBHIDTJN-UHFFFAOYSA-N 339.370 3.704 0 1 EHAF CC1=C(C(=O)N[C@@H]2CCCc3ccccc32)C2(CCCCC2)OC1=O 6772384 ZJPCWPNARMFCHG-QGZVFWFLSA-N 339.435 3.756 0 1 EHAF CCNc1nc(C)c(-c2ccnc(Nc3cccc(O)c3)n2)s1 13559868 HGMVCCYVQGIANG-UHFFFAOYSA-N 327.413 3.790 0 1 EHAF Cc1cccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)c1 13744800 OIPKATZJPXZANW-UHFFFAOYSA-N 347.461 3.647 0 1 EHAF Nc1nc(-c2cccc(C(F)(F)F)c2)cn2nc(-c3ccco3)nc12 28526635 BONHMGPYMDNMSU-UHFFFAOYSA-N 345.284 3.652 0 1 EHAF c1ccc2c(c1)CCC[C@@H]2Nc1ccnc(-n2cnc3ccncc32)n1 36348915 AHSJRZNMESAIKM-INIZCTEOSA-N 342.406 3.700 0 1 EHAF Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(C(N)=O)cc23)cc1 72105276 AFUBTCYPFXSLLO-UHFFFAOYSA-N 347.462 3.966 0 1 EHAF CC[C@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccccc1 82133572 LTJXSIZVVQNKJC-UONOGXRCSA-N 326.444 3.882 0 1 EHAF Cc1cc(C(=O)N2CCC2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F 143483022 IFSCBPVTGKFEPZ-GOSISDBHSA-N 347.336 3.620 0 1 EHAF O=N[C@@H]1c2ccccc2O[C@@]2(C(=O)Nc3ccc(Cl)cc3)C[C@@H]12 169724337 AGFWFCJSFBBCIJ-LXZKKBNFSA-N 328.755 3.937 0 1 EHAF OCC12CCC(c3nc4cccc(Br)c4[nH]3)(CC1)CC2 586895571 NJBJDCDITXYHJK-UHFFFAOYSA-N 335.245 3.910 0 1 EHAF Cc1nn(Cc2nc3ccc(Cl)cc3[nH]2)c(C)c1Br 586979194 SIHUEDLGKDIZIH-UHFFFAOYSA-N 339.624 3.840 0 1 EHAF N[C@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccccc1Cl 587055543 DRHYAYYELYMDNJ-SNVBAGLBSA-N 325.721 3.876 0 1 EHAF N[C@]1(c2nc3cccc(Br)c3[nH]2)C[C@H]1c1ccccc1F 587154102 CVFSJRAGQHLVPZ-MGPLVRAMSA-N 346.203 3.806 0 1 EHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Br)ncc2[nH]1 587162828 DYVFVPRVDRFFDO-CQSZACIVSA-N 349.207 3.511 0 1 EHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Br)cnc2[nH]1 587164416 VDLFCMRHFFPBDM-CYBMUJFWSA-N 349.207 3.511 0 1 EHAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Cl)c(C)c2[nH]1 587230918 JTVBSWOICRJOHK-STQMWFEESA-N 349.862 3.561 0 1 EHAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccnc(Cl)c2[nH]1 587233047 GJKQVOAPBBAJON-VHSXEESVSA-N 336.823 3.772 0 1 EHAF CCOC(=O)[C@@H](C1CCCC1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401766 YCCBJWCDDXMLSP-XLIONFOSSA-N 345.439 3.671 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ncccn4)c1)[C@@H](C2)C3=O 587435552 GYUUUYYEUWEDDN-OXJNMPFZSA-N 344.370 3.641 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccncc3)c1)CC2=O 587474982 JIMFTBWJSZFDIQ-IBGZPJMESA-N 349.390 3.632 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(CC)c1C)CC2=O 587475290 LNFRWBGSUCOIQD-IBGZPJMESA-N 328.412 3.750 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(CC(C)(C)CC(=O)O)CC2=O 587492750 YKBUHCNGVMVQCU-LJQANCHMSA-N 334.412 3.960 0 1 EHAF O=C1C[C@H](c2[nH]nc3ncc(F)cc23)Oc2c1ccc1c2CCCC1 587510181 VKXREXHGLIUNEN-MRXNPFEDSA-N 337.354 3.682 0 1 EHAF C[C@H](O)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535665 NKWMBUTYYBIYSF-ZUZCIYMTSA-N 329.421 3.782 0 1 EHAF CC1CCN(C[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)CC1 587875350 JODJYGSYADPCKE-ZDUSSCGKSA-N 343.402 3.803 0 1 EHAF COc1ccc(C[C@@H](C)c2nc3cc4cn[nH]c4cc3[nH]2)cc1OC 587925257 DHISGKFDRSBAQX-LLVKDONJSA-N 336.395 3.803 0 1 EHAF CO[C@H]1CCC[C@@]2(C1)c1ccsc1CCN2Cc1cccn1C 962402359 ZQEBUYZFKINRJK-QFBILLFUSA-N 330.497 3.929 0 1 EHAF Cc1ccnc2c1CCN[C@H]2[C@H](CC1CCC1)NC(=O)OC(C)(C)C 963073678 XPHZULLBJBDQGK-WMZOPIPTSA-N 345.487 3.660 0 1 EHAF S=C(NNc1nncc2ccccc12)Nc1ccc(Cl)cc1 1772645550 PBFFTWJHTSVERV-UHFFFAOYSA-N 329.816 3.597 0 1 EHAF CC[C@H]1C[C@H]2CN3CC[C@@H]4C(=Nc5ccccc54)[C@@](C(=O)OC)(C2)[C@@H]13 2356512782 DVIHZCAJLDCNRW-HETBSEGZSA-N 338.451 3.540 0 1 EHAF CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NC(C)C)cc21 218527 SZGPRQMFDPSLNH-UHFFFAOYSA-N 340.448 3.956 0 3 EHAF Cc1ccc2c(c1)nnn2C1CCN(C(=O)Nc2ccccc2)CC1 1380664 XNGXMPLJJDBCHV-UHFFFAOYSA-N 335.411 3.609 0 3 EHAF COc1cc(SCCc2ccccc2)c(OC)cc1C[C@@H](C)N 13641757 DLCYMWYHXKNVOC-CQSZACIVSA-N 331.481 3.928 0 1 EHAF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC(C)C)C[C@@]1(C)C=CC=C(C)[C@H]21 14452515 SDNILGGFZCMCHY-DRWJQLDWSA-N 330.424 3.584 0 1 EHAF biogenic Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Oc1ccc(F)cc1F 28382505 RKNSLLSUFWWYCA-UHFFFAOYSA-N 337.347 3.950 0 1 EHAF NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 28825813 MNUZBKQSCOXRRF-UHFFFAOYSA-N 349.478 3.521 0 1 EHAF CN(C)C[C@H](O)[C@@H](c1ccccc1)c1cccc(Br)c1 39245472 HXGZIOIAGCFPNS-IRXDYDNUSA-N 334.257 3.504 0 1 EHAF CO[C@@H]1CC[C@H]1N1C(=O)CS[C@@H]1c1c(Cl)cccc1Cl 58522961 JWBWEGWRAAKCHC-JTNHKYCSSA-N 332.252 3.745 0 1 EHAF CCOc1cccc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)n1 72119006 GBOVRZZENUOOKT-UHFFFAOYSA-N 327.413 3.559 0 1 EHAF CCN1CCN(c2ncc(C)c(N[C@H]3C[C@@H](C)CC(C)(C)C3)n2)CC1 82202667 BLOOFGSFRFNRPA-WBVHZDCISA-N 345.535 3.554 0 1 EHAF O=c1c2ccccc2ncn1CSc1nc2ccccc2s1 96910562 IRXJCBYZCNUIOZ-UHFFFAOYSA-N 325.418 3.756 0 1 EHAF CCCc1cc(O)n2nc(-c3cccc(Br)c3)cc2n1 100619418 UUTZLBJFVKRJDT-UHFFFAOYSA-N 332.201 3.817 0 1 EHAF OC1=C2C(=Nc3cc4c(cc3[C@@H]2c2ccc(F)cc2)OCCO4)CO1 101684217 BHJBXAIVUUAOQW-KRWDZBQOSA-N 339.322 3.615 0 1 EHAF CC1(C)C=Cc2cc(C(=O)CC(=O)c3ccc(O)cc3)c(O)cc2O1 102943558 KXBWVUQZNQMUBZ-UHFFFAOYSA-N 338.359 3.738 0 1 EHAF COc1cc(F)c(F)cc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12 226060207 DDRNCIVXTOPZHT-NSHDSACASA-N 343.377 3.984 0 1 EHAF COc1ccc([C@H]2CCc3c(OC)ccc(OC)c3C2=O)c(OC)c1 299855978 BJZHAKCIFDXFHQ-CQSZACIVSA-N 342.391 3.634 0 1 EHAF OCC12CCC(c3nc4cc(C(F)(F)F)cnc4[nH]3)(CC1)CC2 586895535 LRABJDQAXXHMLS-UHFFFAOYSA-N 325.334 3.561 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc2c1 586903478 PORKGOGDDBZWNS-DOMZBBRYSA-N 342.782 3.572 0 1 EHAF Cc1ccc(SCc2nc3c(S)nc(S)nc3[nH]2)c(C)c1 586965458 XOGQDCCAXISQPS-UHFFFAOYSA-N 334.495 3.839 0 1 EHAF Cc1nc(Br)sc1-c1nc2ccnc(Cl)c2[nH]1 587012626 ZPUFFTSMVWYZNG-UHFFFAOYSA-N 329.610 3.806 0 1 EHAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587094742 UTMAJUGTBNHSIV-BYPYZUCNSA-N 341.667 3.624 0 1 EHAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587148954 BWSZQGKWZKRNSV-ZETCQYMHSA-N 336.269 3.818 0 1 EHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587163541 MFQJFJGAQONFRS-OAHLLOKOSA-N 349.312 3.675 0 1 EHAF COc1ccc(C[C@H](C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587385863 QROURUMGJWJXRW-HXPMCKFVSA-N 343.398 3.938 0 1 EHAF Cc1ccnc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587390392 MQACISIKMMDYNU-GOSISDBHSA-N 333.391 3.778 0 1 EHAF CC(=O)c1[nH]c(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587395313 AVRPLAXKNQMIAV-IBGZPJMESA-N 326.396 3.605 0 1 EHAF COc1cc2c3c(c1)O[C@H](C[C@H](C)CCCC(C)(C)O)[C@@H](C2)C3=O 587448502 CVULCIZNYFTVAT-DAXOMENPSA-N 332.440 3.779 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3ncn(C)c3c1)CC2=O 587477761 USNKDEQTHVYUES-LJQANCHMSA-N 336.391 3.938 0 1 EHAF O=C1C[C@](c2ncc[nH]2)(c2ccco2)Oc2c1ccc1c2CCCC1 587528388 YVWOUISWOJUIRJ-HXUWFJFHSA-N 334.375 3.791 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)cc2)N1 587748031 TVZZDUNRMCCRLV-BTDLBPIBSA-N 349.247 3.968 0 1 EHAF Cc1c(Br)cc2nc(C[C@H](C)CCC(=O)O)[nH]c2c1C 587961174 QEAGMLBRNNMNQU-MRVPVSSYSA-N 339.233 3.986 0 1 EHAF C[C@@]1(C2CCCC2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962625486 COLYYVDPGSDADN-LRDDRELGSA-N 343.345 3.590 0 1 EHAF COc1cc([C@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)ccc1F 962631160 JCGUBCGWKBQMDT-YUNKPMOVSA-N 345.414 3.817 0 1 EHAF CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@@H](C(=O)OC)C1)[C@H]32 2356397624 OUVARUOEIMIVLD-LMNJBCLMSA-N 336.435 3.625 0 1 EHAF CCC=CC[C@@H]1C=C[C@@H]2[C@@H](O)CC(=O)[C@H]2CC=CCCCC(=O)O1 2356721367 BZTIGFGJIMLNRE-DFEOGRTESA-N 332.440 3.507 0 1 EHAF O=C1COCc2ccc(Br)cc2N1CCc1ccccc1 74375931 FQGDUVXDTRTCOV-UHFFFAOYSA-N 346.224 3.555 0 3 EHAF COc1cc2ncnc(N[C@@H]3C[C@@H]3c3ccccc3)c2cc1OC(C)=O 4617801 ZXXUUYKUUAWFJM-RHSMWYFYSA-N 349.390 3.532 0 1 EHAF CCCCC[C@H](O)C1=C[C@H]2c3c(ccc(O)c3CO)C[C@@H]2C(C)(C)O1 13373569 QVNSKPMXIWUANR-HFTRVMKXSA-N 346.467 3.774 0 1 EHAF biogenic Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2C)s1 14952105 RUBISUIXANSRAF-NXEZZACHSA-N 349.843 3.952 0 1 EHAF CCCN(CC)[C@H](C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1 27738909 FJGMITXSYCJCQR-MRXNPFEDSA-N 342.483 3.580 0 1 EHAF CCCCC/C=C\C[C@H](O)/C=C/[C@@H](O)[C@H]1C[C@@H]1[C@H]1CCCC(=O)O1 34353258 MYTQAYDWGRSARV-VBBTXEEJSA-N 336.472 3.523 0 1 EHAF Cc1cc(NC(=O)c2nc(C)sc2Nc2cccnc2)ccn1 35978532 XBOMZYPAUTYJQT-UHFFFAOYSA-N 325.397 3.546 0 1 EHAF COc1ccc2c(c1)OC1=C(C(=O)OC1)[C@H]2c1cccc(Cl)c1 40408480 NVUFSAPQMQUNRZ-INIZCTEOSA-N 328.751 3.684 0 1 EHAF CCCCC(CCCC)N1N=C(c2ccc3c(c2)OCO3)OCC1=O 40410059 ZUQWDXLPWVHIJJ-UHFFFAOYSA-N 346.427 3.685 0 1 EHAF CC(C)(C)Nc1nc(Nc2ccc3ncsc3c2)nc2[nH]cnc12 43061941 SBVVBJAEXUXTLZ-UHFFFAOYSA-N 339.428 3.917 0 1 EHAF Clc1ncn2c1Cc1cncnc1-c1cc(Br)ccc1-2 45289755 QGLHYLOVRGIJDA-UHFFFAOYSA-N 347.603 3.649 0 1 EHAF CCOC(=O)/C=C/c1c(O)ncnc1Oc1ccc(C(C)(C)C)cc1 72177425 NZASBTAKGQGLLK-ZHACJKMWSA-N 342.395 3.848 0 1 EHAF O=C(Nc1ccnc(Oc2cncnc2)c1)c1cccc(Cl)c1 96175645 GSLGKPKTSLSPRL-UHFFFAOYSA-N 326.743 3.570 0 1 EHAF O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1c[nH]cn1 96914413 MSDCAQBOIPRKDD-UHFFFAOYSA-N 339.742 3.519 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3cccn3C)cc1)O2 101501383 YOFKXSATJFBEHG-NBMJBFSESA-N 325.408 3.516 0 1 EHAF Nc1nc(=O)[nH]c2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 103290774 KQXAJSLBLWQJHK-MRXNPFEDSA-N 341.370 3.791 0 1 EHAF Cc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 169350871 GZIJIBFRSCVOJF-VQTJNVASSA-N 340.442 3.965 0 1 EHAF CC1=NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)OC1CCCC1 169719494 BFACNILAUBCXCC-LSDHHAIUSA-N 334.803 3.667 0 1 EHAF C[C@@H]1C(=O)c2cc3c(cc2[C@@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 238733109 QJSBINYNDXOXHY-RMDKCXRXSA-N 338.359 3.744 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(CO)CC[C@H]32)C1 255259782 PRBXKEWXBFDLIT-IFKFXWNZSA-N 348.483 3.502 0 1 EHAF Cc1ccc([C@H](C)[C@H](O)c2nc3c(Br)ccnc3[nH]2)cc1 586887020 HGQANQHZTDNGDE-HZMBPMFUSA-N 346.228 3.866 0 1 EHAF CN1CCC[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 586988667 VEJRVGDSHSTBAL-CYBMUJFWSA-N 344.414 3.961 0 1 EHAF C[C@]1(c2nc3ccc(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 587155659 JSOBGEFZBKQFFR-QGZVFWFLSA-N 331.297 3.771 0 1 EHAF COc1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587233548 SBRNIWYINXCTMF-STQMWFEESA-N 331.416 3.732 0 1 EHAF NC1CC(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C1 587255101 FFBXPHDBQVYXSW-UHFFFAOYSA-N 337.267 3.880 0 1 EHAF C[C@H](N=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332254 CXEXYRFBBDDOKG-HIIUDZQISA-N 329.327 3.804 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)c4cc(F)ccc14)[C@@H](C2)C3=O 587429972 XYYXILJXAACMBK-VBKZILBWSA-N 337.350 3.815 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnn(C)c1-c1ccccc1)[C@@H](C2)C3=O 587433614 ZOLYLRCFSNDXBK-BTYIYWSLSA-N 346.386 3.584 0 1 EHAF COc1cc2c3c(c1)O[C@@H](C[C@@H](C)CCCC(C)(C)O)[C@@H](C2)C3=O 587448503 CVULCIZNYFTVAT-MAZHCROVSA-N 332.440 3.779 0 1 EHAF Cc1oncc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585255 CWJNFIYSOUAPKA-APWZRJJASA-N 337.331 3.566 0 1 EHAF CC[C@]1([C@H]2CCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587618933 VOXLUYHGCGAJIP-QKMWGZLOSA-N 340.375 3.539 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(CO)CC2)N1 587827467 PHRRZQICPYFPGS-VHTNMKBUSA-N 342.252 3.500 0 1 EHAF COc1cccc(CCc2nc3ccnc(Br)c3[nH]2)c1 587931091 LPVWACCYLJUCSS-UHFFFAOYSA-N 332.201 3.514 0 1 EHAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(N)c(N)cc3[nH]2)cc1 587934385 DBBZNTVNUGEHEX-HXUWFJFHSA-N 344.418 3.916 0 1 EHAF C[C@H](F)[C@@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962961877 WVUWVIJUTFPYPG-XHDPSFHLSA-N 331.353 3.930 0 1 EHAF C=C1C=C(C)n2ncc([C@@H]3c4c(F)cccc4C[C@H]4CCCN43)c2N1 963105483 MMHAGAVWODRVCO-DNVCBOLYSA-N 336.414 3.932 0 1 EHAF CCCC[C@@H]1OC(=O)c2cc(-n3nc(C(F)(F)F)cc3O)ccc21 1772627314 FOVGNCPUPALUNV-LBPRGKRZSA-N 340.301 3.998 0 1 EHAF COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCO3)c(F)c1 1857537888 DYKWGYHCENXIFA-ONEGZZNKSA-N 343.398 3.751 0 1 EHAF CC[C@H](C)Oc1cc(NC(C)=O)nc(SCc2ccccc2)n1 1857652654 PDXTUJVCYNFJCO-LBPRGKRZSA-N 331.441 3.905 0 1 EHAF CN1C(=O)[C@H](c2cccc3ccccc23)Oc2cc3c(cc21)OCO3 1857753875 WXVVWWHVVQKNMT-IBGZPJMESA-N 333.343 3.665 0 1 EHAF CC(C)C1=C2[C@@H]3C[C@H]4O[C@@](O)(C=C4C(=O)O)[C@@]3(C)CC[C@@]2(C)CC1 2356323639 CLMHTTFHYDETIT-OGIZJXODSA-N 332.440 3.658 0 1 EHAF COC(=O)[C@@]12CCC[C@]3(C=NC1)[C@@H]2CC[C@H]1[C@@H](C)c2ccoc2C[C@H]13 2356424051 PEBWOTHMOKLLMG-BUXNVBRTSA-N 341.451 3.996 0 1 EHAF CCCCC[C@H](O)C=C[C@H](O)[C@@H]1C[C@@H]1[C@H]1CC=CCCCC(=O)O1 2356523718 BUWOMMLMRPPTEZ-XCDZQEORSA-N 336.472 3.523 0 1 EHAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1C[C@@H]1[C@@H]1CCCC(=O)O1 2356652534 GUCRVQJMZMFWEY-SPOLIRPYSA-N 336.472 3.523 0 1 EHAF CCN1CCSc2ccc(C(=O)NCc3cccc(F)c3)cc21 6750872 DMRGVPCDWVAXHY-UHFFFAOYSA-N 330.428 3.688 0 3 EHAF CC[C@H]1CCCCN1[C@H]1Sc2ccc(C(=O)OC)cc2N=C1O 82124835 QTDWUILPNWDZMW-LRDDRELGSA-N 334.441 3.758 0 3 EHAF CN(C)CCNc1nc(-c2cccs2)cc(-c2cccs2)n1 1614125 BGOGHNWIVJZOSC-UHFFFAOYSA-N 330.482 3.907 0 1 EHAF CCCNC(=O)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12 13652908 KMAAIUMLIPAUFN-UHFFFAOYSA-N 333.391 3.631 0 1 EHAF COc1cc(CCCO)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C 14584476 JJPULWMQUWTWAT-HXPMCKFVSA-N 342.391 3.586 0 1 EHAF biogenic Nc1nc2cc(NC(=O)c3cccc(-c4ccccc4)c3O)ccc2[nH]1 14955882 USQJNQXMUDZZON-UHFFFAOYSA-N 344.374 3.770 0 1 EHAF Cc1cc2nc(CP(=O)(O)O)c(-c3ccccc3)nc2cc1C 26284031 XWEHUTJAIUSWQQ-UHFFFAOYSA-N 328.308 3.591 0 1 EHAF Cn1c(-c2ccc(OCC(=O)O)cc2)nc2c3ccccc3ccc21 27705360 VOFSFFPEOAESEE-UHFFFAOYSA-N 332.359 3.857 0 1 EHAF Fc1cc(-c2ccccc2F)cc(-n2nnc(-c3ccccn3)n2)c1 28389728 QIPCIFBOLGWWIG-UHFFFAOYSA-N 335.317 3.670 0 1 EHAF CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2ccc(Cl)cc21 45299278 CXPIEWAMVILDLK-MSOLQXFVSA-N 332.806 3.604 0 1 EHAF Clc1cc(Cl)c(Cl)c(-c2ccc(N3CCOCC3)nn2)c1 45339736 RGJSGEMQPCNEHI-UHFFFAOYSA-N 344.629 3.940 0 1 EHAF O=C(NCC12CCN(CC1)C2)c1ccccc1-c1cccc(Cl)c1 49036285 ZMJWQBHFPJIGKF-UHFFFAOYSA-N 340.854 3.833 0 1 EHAF COc1cccc(CSc2nc(Cc3ccccc3)cc(=O)[nH]2)c1 49070562 MPLPZNOKXXAVCU-UHFFFAOYSA-N 338.432 3.662 0 1 EHAF CN1CCN(C2=Nc3cscc3Nc3ccc(Cl)cc32)CC1 49627245 QXKUJYHNDJCJPC-UHFFFAOYSA-N 332.860 3.784 0 1 EHAF CCOC(=O)/C=C/c1cn(-c2ccc(O)cc2)nc1-c1ccccc1 49823308 RXKXUJCOOYXWAP-MDWZMJQESA-N 334.375 3.821 0 1 EHAF O=C(c1cccs1)N1CCC[C@@H]1c1nc(-c2cccc(F)c2)no1 71341992 IQRJHPLBKRMXJJ-CYBMUJFWSA-N 343.383 3.915 0 1 EHAF COc1ccc2c(c1)[nH]c1c(C[C@H]3OC3(C)C)c(O)c(C=O)cc12 72116281 DLFPRMDUAKMAEL-MRXNPFEDSA-N 325.364 3.568 0 1 EHAF Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(C(=O)O)n1 73220947 FEPZQKIARLMLHS-UHFFFAOYSA-N 342.178 3.853 0 1 EHAF C[C@H](/C=C/C(=O)O)[C@H]1O[C@@H](CC(=O)c2ccc(N)cc2)[C@H](C)C[C@H]1C 83920935 RHBKNRVHUONUJZ-BRHJULLGSA-N 345.439 3.548 0 1 EHAF in-vitro O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc(O)ccc3CC[C@@H]21 100620762 KBRVHSFDUWUYOP-NQIIRXRSSA-N 346.430 3.985 0 1 EHAF COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)NC(=S)N2)cc1 103192175 WVBDEDDFIYDBGG-MRXNPFEDSA-N 330.840 3.909 0 1 EHAF CC(C)(O)c1cncc(-c2nc3cc(F)c(F)cc3n2C2CC2)c1 113879141 CAFMTLCLARMZDZ-UHFFFAOYSA-N 329.350 3.939 0 1 EHAF O=C(N[C@@H]1COc2ncccc21)[C@H]1CCc2cc(Cl)cc(Cl)c21 144940386 RUYVBXHBGOCWLC-GXTWGEPZSA-N 349.217 3.668 0 1 EHAF COc1cc(C[C@H]2C[C@H]3CO[C@@H]2c2cc(O)c(OC)cc23)ccc1O 238765430 LOHDMDZVDAWZCR-QAJFTPDKSA-N 342.391 3.533 0 1 EHAF O=c1c(-c2cccc3ccccc23)cc2cc3c(cc2n1O)OCO3 299826235 YKPLYKLUFYMNJF-UHFFFAOYSA-N 331.327 3.788 0 1 EHAF Cc1cc(-c2ccccc2C(=O)O)nc([C@@H]2CCCN(C(C)C)C2)n1 299850952 PVJUYRHHIRDSNZ-OAHLLOKOSA-N 339.439 3.738 0 1 EHAF COc1ccc(-n2c(C(C)C)nc3cc(C(=O)O)ccc32)cc1OC 392250050 TYCZQUSMNPFRTM-UHFFFAOYSA-N 340.379 3.864 0 1 EHAF O[C@H]1CC[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 586898943 LVMXWYZPPQPGFY-OCAPTIKFSA-N 335.276 3.631 0 1 EHAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 586951132 UWKVCAMGCUGBLI-UHFFFAOYSA-N 333.388 3.519 0 1 EHAF Clc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586967442 XPHKFBPFWYRHGE-UHFFFAOYSA-N 343.799 3.954 0 1 EHAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C(=O)O)C4)-c1ccccc1C2=O 587101599 OSADKZPSAXELJD-NSHDSACASA-N 329.355 3.554 0 1 EHAF Cc1cnc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 587116187 RWLFJEJLMNQEBK-UHFFFAOYSA-N 329.285 3.895 0 1 EHAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(F)F 587383894 XCIAZEABOBLBDY-OAHLLOKOSA-N 349.333 3.894 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)CN1CCCCCC1)O2 587398434 HBGCMAMWZAESSZ-GOSISDBHSA-N 330.472 3.813 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(F)F)c1)[C@@H](C2)C3=O 587421264 JNQMYLYOLDDZFJ-LIRRHRJNSA-N 346.329 3.828 0 1 EHAF C[C@]1(C[C@@H]2CCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616686 LYRLDPDGSDRFHO-QKMWGZLOSA-N 340.375 3.539 0 1 EHAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 587775057 YMGKWYFAKJHIBY-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1 587783806 AOFKAWWJKUNKNR-RYUDHWBXSA-N 327.771 3.555 0 1 EHAF COc1ccc(-c2nc3cc(Br)ncc3[nH]2)c(OC)c1C 587787719 OFMNGUBDBCGHFS-UHFFFAOYSA-N 348.200 3.713 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCC=CO2)N1 587830843 FXGZFXKUTULYGM-DFKRKDTASA-N 326.209 3.856 0 1 EHAF c1coc(CN2CCc3sccc3[C@@]2(CC2OCCO2)C2CC2)c1 962699917 BBCJKMAPBAWQNT-LJQANCHMSA-N 345.464 3.768 0 1 EHAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C)c3)C2)cc1 1772593622 VZZPULOFDJIFDU-HRAATJIYSA-N 338.451 3.850 0 1 EHAF COc1cccc(-c2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)c1 1857566527 IEIRHVQBONSSMN-UHFFFAOYSA-N 340.379 3.778 0 1 EHAF COCCCOc1ccc(Nc2nccc(N3CCCCC3)n2)cc1 1857614352 DPMYNMUPZVZRQU-UHFFFAOYSA-N 342.443 3.626 0 1 EHAF CN1C(=O)[C@@H](c2cccc3ccccc23)Oc2cc3c(cc21)OCO3 1857753876 WXVVWWHVVQKNMT-LJQANCHMSA-N 333.343 3.665 0 1 EHAF CC(=CCO)CC[C@@]1(C)[C@@H]2CCC=C(C(=O)O)[C@@]2(C)[C@@H](O)C[C@H]1C 2356378348 GTOZGWPAQKVWLE-SQRAORDBSA-N 336.472 3.540 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@H]2C(=O)CC[C@H](C)[C@@]12C 2356554783 XYAOXXDJOGJSPN-QAHQHUNNSA-N 346.423 3.807 0 1 EHAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N1CCOCC1 4215552 NOUGPRYMEUDNNN-MOPGFXCFSA-N 344.455 3.559 0 1 EHAF O=C(O)Cc1ccc(CSc2nnc(-c3ccncc3)s2)cc1 13442458 LOITXAOHXRBTRZ-UHFFFAOYSA-N 343.433 3.520 0 1 EHAF COc1cccc2c1CN(c1csc(-c3ccncc3)n1)C(=O)N2 14974667 ZSAQGXDSTQPMRV-UHFFFAOYSA-N 338.392 3.766 0 1 EHAF CC[C@@H](c1ccccc1)c1n[nH]c2c1CN(Cc1ccccn1)CC2 20869430 NOEOGXQZOQLUKK-SFHVURJKSA-N 332.451 3.905 0 1 EHAF COc1cccc(C(=O)N2CCCC2)c1OCCc1ccccc1 28524357 RGVIQYWXPHOSJU-UHFFFAOYSA-N 325.408 3.553 0 1 EHAF Cc1ccc2c(N3CCN(CCc4ccccc4)CC3)cccc2n1 53296649 COFUCLYMHVADFL-UHFFFAOYSA-N 331.463 3.908 0 1 EHAF O=C1[C@H]2CCCN2[C@@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 58047339 CGEDFDWQUDCEAB-IAGOWNOFSA-N 330.790 3.989 0 1 EHAF CC(=O)OC1=C2C=C[C@@H]3[C@H](CC[C@@]4(C)C(=O)CC[C@H]34)[C@@]2(C)CCC1=O 58525418 KZSDAOLDPDWQDM-RDOPLNBPSA-N 342.435 3.754 0 1 EHAF C[C@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 101112157 ISWUXQKIYIOEJI-YFTGLANFSA-N 339.838 3.808 0 1 EHAF O=C1[C@@H]([C@H](O)c2ccnc3ccccc23)CCCN1Cc1ccccc1 103271815 SORCQNVUYNZKCG-TZIWHRDSSA-N 346.430 3.707 0 1 EHAF C/C(=C/c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)NCCO 586995912 KMRHPYIGRHQUQM-KAMYIIQDSA-N 344.414 3.697 0 1 EHAF COc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cn1 587007277 ZAICVCMSEMMNBM-UHFFFAOYSA-N 343.184 3.649 0 1 EHAF CC(C)COc1cc2nc([C@H](N)[C@H](C)F)[nH]c2cc1Br 587126775 YODNUDFQHGOMMP-ISVAXAHUSA-N 344.228 3.718 0 1 EHAF Oc1nc2cc3nc([C@H]4C[C@H]4c4cccc(F)c4F)[nH]c3cc2[nH]1 587151471 HZJBARNEPMKZCP-IUCAKERBSA-N 326.306 3.694 0 1 EHAF O=C(O)C[C@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587207730 WRHWEZMQAQIZTD-LLVKDONJSA-N 329.355 3.951 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](Cc1ccc(Br)cc1)O2 587372250 OSUDUOZCZPSDOE-ZDUSSCGKSA-N 346.224 3.916 0 1 EHAF CCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 587400998 TYFVJVIWMIMKEU-GOSISDBHSA-N 327.380 3.778 0 1 EHAF CCOC(=O)[C@H]1CC(C)(C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587401731 XLQJVFMKBKEMKB-VLIAUNLRSA-N 345.439 3.671 0 1 EHAF Cc1noc([C@@H]2CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)n1 587523753 HKWNJZBVOFXPGZ-JXFKEZNVSA-N 338.407 3.929 0 1 EHAF Oc1nc(O)c2cc3c(nc2n1)-c1cc(-c2ccccc2)ccc1C3 587562172 QRSKYBRPOYUFKI-UHFFFAOYSA-N 327.343 3.674 0 1 EHAF C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc(Cl)c(F)cc12 587631569 PBSGJWQVFQNAND-KHPVBLMWSA-N 348.805 3.951 0 1 EHAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 587796875 QWORBABULPRHGW-WJWGPLDTSA-N 325.181 3.508 0 1 EHAF CNc1nc2ccccc2n2c(-c3cc(OC)ccc3OC)cnc12 653747441 UZWCWFFBEDPQOR-UHFFFAOYSA-N 334.379 3.608 0 1 EHAF Cc1c(F)ccc2c1[C@H](c1[nH]c3nccc-3c(Cl)c1F)NCC2 962298474 MEWIWZDNOFBTMF-OAHLLOKOSA-N 333.769 3.990 0 1 EHAF CC(C)c1nn(C)c2c1[C@@H](c1cc3c(Cl)cccc3[nH]1)NCC2 962923135 YISRLCVGHDCBRL-GOSISDBHSA-N 328.847 3.913 0 1 EHAF CCN(CC)CCC[C@@H](C)N=c1c(N)c[nH]c2cc(Cl)ccc12 1857647586 UYTUPVNGKQKMFU-CYBMUJFWSA-N 334.895 3.815 0 1 EHAF OCCc1cncc(-c2ccc3[nH]cc(-c4ccccc4F)c3c2)n1 1857752158 JNCINJWNXPLKKV-UHFFFAOYSA-N 333.366 3.966 0 1 EHAF CCCC(=O)N(Cc1ccco1)[C@H](CC)C(=O)NCc1ccccc1 2356858950 TXGBZMNXEODLIV-GOSISDBHSA-N 342.439 3.503 0 1 EHAF CCN1CCN(Cc2ccc(NC(=O)Nc3cccs3)cc2)CC1 20900171 CZDJAOWKZQKIOG-UHFFFAOYSA-N 344.484 3.530 0 3 EHAF Cc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1 218978 HTVMVITWEPRFTE-IAYYMHMVSA-N 342.483 3.571 0 1 EHAF COc1cccc(N2C(=S)N[C@@H]3c4ccccc4O[C@@]2(C)[C@@H]3C)c1 4905122 HCSCSPICAIPJDM-LWLIDHTLSA-N 340.448 3.876 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 13704292 YXMRZDHYXSYMTA-FMXRJBFQSA-N 332.484 3.774 0 1 EHAF c1cc2c(c(N3CCN(CCC4CCCCC4)CC3)c1)OCCO2 13738292 PIXPONBGJIYLST-UHFFFAOYSA-N 330.472 3.550 0 1 EHAF C=C1CC[C@H](C)[C@@](C)(CCC2=C[C@@H](O)OC2=O)C/C=C\C=C/1C(=O)O 14683309 DYQVUHJGPRMPQI-IECUUHFWSA-N 346.423 3.518 0 1 EHAF Nc1nccn2c(C3CCC3)nc(-c3ccc(C[C@@H]4CCCO4)cc3)c12 96168094 MEIGYLFIXRUSSD-KRWDZBQOSA-N 348.450 3.968 0 1 EHAF O=C(c1ccc(O)c(Cl)c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21 96169450 LAHOJHCRYFZIIK-WBVHZDCISA-N 327.811 3.990 0 1 EHAF CC1=Nc2ncnn2[C@@H](c2ccco2)/C1=C(\O)OC1CCCCC1 101515013 ITUVEBAKPZTZTE-IDTYTIONSA-N 328.372 3.685 0 1 EHAF Cn1c(COc2ccc(Cl)cc2)nc2cccc(Cl)c2c1=O 103177879 ONJDNMNQATVOCL-UHFFFAOYSA-N 335.190 3.819 0 1 EHAF CC(C)[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1 168450870 KNLOYUUHCARONP-HNNXBMFYSA-N 333.391 3.991 0 1 EHAF CN1CCN(CCOc2ccccc2CCC2CCCCC2)CC1 169330774 ANQNNHDVPJSXEM-UHFFFAOYSA-N 330.516 3.826 0 1 EHAF O=c1cc(-c2ccc(-c3n[nH]c4c3Cc3cc(O)ccc3-4)cc2)cc[nH]1 169693373 MKEOPIFSUJQUSD-UHFFFAOYSA-N 341.370 3.709 0 1 EHAF Oc1cccc(CCc2nc3ccc(F)c(Br)c3[nH]2)c1 586897242 WHMGWGKFLWURJG-UHFFFAOYSA-N 335.176 3.955 0 1 EHAF COC(=O)c1cc2[nH]c(-c3ccc(-c4ccc(C)o4)cc3)nc2cn1 586902936 IEUBXZUDQGPKHB-UHFFFAOYSA-N 333.347 3.980 0 1 EHAF CCC[C@@H](C)C(=O)c1c(CO)oc2cc(Br)cnc12 587273089 HSKRMAOYKJQFBZ-MRVPVSSYSA-N 326.190 3.702 0 1 EHAF COc1ccc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587399914 NLILMHCJTRFOMN-MRXNPFEDSA-N 325.408 3.861 0 1 EHAF CCN1c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2C[C@@H]1C 587438630 QIYFEEUXLSNQGF-DGIMUSOZSA-N 349.430 3.955 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CN1CCC[C@H](C)C1)CC2=O 587482071 ZABBFCZUXOLSJX-XOBRGWDASA-N 331.456 3.801 0 1 EHAF O=C(Nc1cccc(Cl)c1)n1ncc2ccc(Cl)cc2c1=O 587651098 CFXIHPRAXUGVBZ-UHFFFAOYSA-N 334.162 3.784 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCO2)N1 587844835 YQCOOQSTUJHMGE-UAKXVISKSA-N 328.225 3.517 0 1 EHAF C[C@@H]1CSC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587855799 GVONOJWPJCDFDR-NUPCCRGMSA-N 330.266 3.701 0 1 EHAF COc1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2cc1C 587926009 FVGDRXHDMXFJPQ-UHFFFAOYSA-N 328.368 3.573 0 1 EHAF O=C1COc2ccc(N(Cc3cccnc3)c3ccc(F)cc3)cc2N1 653728126 VJYXOWPQLCEEID-UHFFFAOYSA-N 349.365 3.890 0 1 EHAF Cn1c(C(=O)N[C@H](CCO)c2ccccc2)cc2cc(Cl)ccc21 1857618686 VQWDPFZEZUXALX-MRXNPFEDSA-N 342.826 3.685 0 1 EHAF Oc1ccc([C@@H](O)CCN2CC=C(c3ccc(F)cc3)CC2)cc1 1857631340 DYCTUGIKKPSMKX-FQEVSTJZSA-N 327.399 3.744 0 1 EHAF Cc1ccc2cc3cc(C(=O)NCCCOC(C)C)oc3nc2c1 4906649 OKEMIYCFNPDXAI-UHFFFAOYSA-N 326.396 3.834 0 1 EHAF O=c1cc(-c2cccc(Br)c2)[nH]c2cc3c(cc12)OCO3 5580608 JLDZWGMJMCTYHJ-UHFFFAOYSA-N 344.164 3.686 0 1 EHAF C[C@H]1Oc2cc3c(cc2C1(C)C)C[C@@H](c1ccc(O)cc1O)CO3 13429490 ANHPMZQXTAKLGG-DGCLKSJQSA-N 326.392 3.875 0 1 EHAF biogenic CCCS(=O)(=O)NC[C@H](C)c1ccc(-c2ccccc2F)cc1 13835047 QTWVFESTJNYHEH-AWEZNQCLSA-N 335.444 3.926 0 1 EHAF CCN(CC)CCC[C@H](C)Nc1ccnc(COc2ccccc2)n1 28521354 MEXIRRZIQXCNKB-KRWDZBQOSA-N 342.487 3.978 0 1 EHAF CCNC(=O)Oc1cccc(C(=O)c2nc3ccccc3s2)c1 28710793 MQIHNXXDNAQNDE-UHFFFAOYSA-N 326.377 3.636 0 1 EHAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)CCC2 49066527 KUMGZLQPFYIYBG-UHFFFAOYSA-N 345.398 3.751 0 1 EHAF O=C(Cc1c(O)oc2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 100552961 CRNNHORZZZRLDI-UHFFFAOYSA-N 348.276 3.943 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc4ccccc4c1)CN32 100809841 XVOOTZXSASFQRD-KYPNZQGJSA-N 333.431 3.879 0 1 EHAF Cn1[nH]c(-c2cccnc2)c2nc(-c3c[nH]nc3C3CCCCC3)nc1-2 103593620 NWZCMINIFJWBME-UHFFFAOYSA-N 347.426 3.748 0 1 EHAF C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H](C)[C@@]12CC=C(C(=O)O)[C@@H](O)C2 238759702 WPEHANBMYIXAGR-WTLZTILXSA-N 338.488 3.619 0 1 EHAF O=C(O)c1ccccc1Nc1c(Cl)cc(O)c(CO)c1Cl 238770285 MYSHRPXOZJHKOQ-UHFFFAOYSA-N 328.151 3.633 0 1 EHAF CCN1CCN(C(C)C)[C@@H]2CCn3c(c(C)c4cc(OC)ccc43)[C@H]21 253639411 FMZKFHZGCQOPRB-CTNGQTDRSA-N 341.499 3.818 0 1 EHAF O=C(NC[C@@H]1NCCc2ccccc21)c1ccc(Cl)c(Cl)c1 319568538 QOBIYGABRBAJNZ-INIZCTEOSA-N 335.234 3.610 0 1 EHAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(C(=O)OC)ncc2[nH]1 587062580 VUBDUHQUBJGYDA-AWEZNQCLSA-N 345.786 3.928 0 1 EHAF Nc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C(F)(F)F)c1 587095649 OVBCNNVSXCOTIH-ZDUSSCGKSA-N 335.289 3.555 0 1 EHAF COc1cncc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 587132949 LNJNLAGBZDNVHV-UHFFFAOYSA-N 340.141 3.643 0 1 EHAF N=c1cc(-c2nc3cccc(Br)c3[nH]2)c2ccccc2[nH]1 587253292 GHSKIPUVICIMGR-UHFFFAOYSA-N 339.196 3.953 0 1 EHAF CCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C(C)C)n1 587432564 QUBXWIDMDPKKJR-YJYMSZOUSA-N 326.396 3.524 0 1 EHAF CC[C@@]1([C@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587456892 YHGHGYITAANLSK-AGKSTNPPSA-N 330.424 3.797 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](COc1ccccc1F)CC2=O 587465181 ATWJJLHZLULBLV-LBPRGKRZSA-N 330.355 3.897 0 1 EHAF O=Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587604785 YNFWTTHQXMBPLO-GHTZIAJQSA-N 346.338 3.908 0 1 EHAF FC(F)(F)c1cc(N=c2nc[nH][nH]2)c2cccc(C(F)(F)F)c2n1 1857604767 LAWLCMXYUQWNJL-UHFFFAOYSA-N 347.222 3.556 0 1 EHAF O=C1[C@H]2CCCN2[C@@H](c2cccc(F)c2)N1c1cccc(Cl)c1 58047098 DBECWDJCJBSIMI-IAGOWNOFSA-N 330.790 3.989 0 3 EHAF COc1ccc2c(c1)[C@@H]1c3cc(OC)c(OC)cc3CCN1CCC2 1648052 FUPOWEJAAOWXNE-OAQYLSRUSA-N 339.435 3.606 0 1 EHAF CC[C@@H](O)CCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(CO)=C[C@H]21 5599330 TVERZASQEULZFR-IXDOHACOSA-N 346.467 3.679 0 1 EHAF CC(=O)OC[C@@]12CO[C@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@H]3[C@@H]2C 12285422 YMPPYMYJLCYPBO-CZUDOKGXSA-N 330.424 3.751 0 1 EHAF O=C1C[C@@H](c2ccccc2)OC(=O)[C@@H]1SCCc1ccccc1 13766462 ZZBSGAGBPNDTCX-ZWKOTPCHSA-N 326.417 3.588 0 1 EHAF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCCO1 26388102 PJPLXNAOJADMRD-LHWNCXSESA-N 329.484 3.833 0 1 EHAF Cc1ccc(S(=O)(=O)Oc2cccc(C3CCNCC3)c2C)cc1 40937941 NYGLNRNYYSXQTL-UHFFFAOYSA-N 345.464 3.538 0 1 EHAF C[C@H](O)c1ccc(-c2ccc3ncnc(NC[C@H]4CCCO4)c3c2)o1 66136474 NNECUTCEQUMTAQ-GXTWGEPZSA-N 339.395 3.534 0 1 EHAF CCOC(=O)c1cc(Cc2ccccc2)c(=O)[nH]c1-c1ccccc1 84713020 IWLNQTIFOLJENV-UHFFFAOYSA-N 333.387 3.809 0 1 EHAF CC(C)Nc1nc(Cl)nc(NCc2cc(-c3ccccc3)no2)n1 103218927 RXNFIVUBJFRRIT-UHFFFAOYSA-N 344.806 3.612 0 1 EHAF COC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(C2CCCCC2)n1 150152385 LELCIEQQGKKZQA-DOTOQJQBSA-N 344.455 3.591 0 1 EHAF CC(=O)Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(C)[C@@H](C2)[C@@H]1C 169320349 OLZYQTRFIDAFCG-RXYZOABWSA-N 335.447 3.794 0 1 EHAF COC(=O)C1=C[C@@]2(c3ccc(OC)cc3[C@@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 169333312 UTUGSVCJDIQAGE-RRCZNCQGSA-N 340.419 3.576 0 1 EHAF CC[C@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)O 169622101 HIFJAIFWUBZVMA-OJKFJESLSA-N 334.456 3.934 0 1 EHAF O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCOc2ncsc21 220850659 IPHHRDGKSAMNQS-JTQLQIEISA-N 343.235 3.632 0 1 EHAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccc(C)cc2O[C@H]31 473088702 JKBDSFMOALSOOM-HXUWFJFHSA-N 334.375 3.574 0 1 EHAF Cc1ccc2c(ccc3nc(/C=C\S(=O)(=O)c4ccccc4)[nH]c32)n1 586924301 OWFZHEAGPKGPHK-QXMHVHEDSA-N 349.415 3.864 0 1 EHAF COc1cnc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1Cl 587065434 ZWBMQPJJSKHDLZ-UHFFFAOYSA-N 343.749 3.612 0 1 EHAF COc1ccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2n1 587067239 ZXUMCVCVQMOXSW-UHFFFAOYSA-N 331.803 3.940 0 1 EHAF O=C(O)c1cccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587068777 YRNGGDHXVCYOGD-UHFFFAOYSA-N 338.754 3.972 0 1 EHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(O)c2[nH]1 587081246 YHVOVEYFSSXOLR-LBPRGKRZSA-N 326.787 3.646 0 1 EHAF Clc1cccc(C2(c3nc4ccc(Br)nc4[nH]3)CC2)n1 587084457 MZBVKYYZYFJYJG-UHFFFAOYSA-N 349.619 3.849 0 1 EHAF Fc1cc(Br)cc2nc(C(F)(F)c3ccccn3)[nH]c12 587090639 UJXMEOOYPOKSKX-UHFFFAOYSA-N 342.118 4.000 0 1 EHAF Cc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1F 587155181 IJKULRNOZJOJNA-GOSISDBHSA-N 327.334 3.941 0 1 EHAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1Cl 587377190 VEVHARATDIRZQT-GOSISDBHSA-N 346.814 3.702 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)cc1C(=O)O)[C@@H](C2)C3=O 587419357 LDJHZHKMQQYFBA-SUMWQHHRSA-N 344.750 3.536 0 1 EHAF COc1cc2c3c(c1)O[C@@H](CCc1cccc(F)c1OC)[C@@H](C2)C3=O 587424482 OOYQOOOIOWRTQB-ZBFHGGJFSA-N 342.366 3.592 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1coc4ccc(C)cc4c1=O)[C@@H](C2)C3=O 587453342 NWGDUGUYGBTWTP-LHSJRXKWSA-N 348.354 3.599 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(N)cccc31)CC2=O 587472780 MWDHLZCZCYKIML-FQEVSTJZSA-N 339.391 3.570 0 1 EHAF CCCc1c(O)ccc2c1OC1(CCC(C)(C(=O)OC)CC1)CC2=O 587477150 FQLLLAOMVMNJFZ-UHFFFAOYSA-N 346.423 3.802 0 1 EHAF N=c1[nH]c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 587507201 BAFHXHVFFSFIRV-KRWDZBQOSA-N 334.375 3.826 0 1 EHAF COc1cc(C)ccc1OCc1nc2cc(C(F)(F)F)ncc2[nH]1 587564841 ZAMPPPWTWTWXJE-UHFFFAOYSA-N 337.301 3.873 0 1 EHAF CC(C)COc1cccc(OCc2nc3ccc(C(=O)O)cc3[nH]2)c1 587565629 GFWDAYDBYRPAKT-UHFFFAOYSA-N 340.379 3.875 0 1 EHAF CC[C@@H]1CCC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587817872 BIVLOWJKJKBKOM-ZYSBLVPFSA-N 340.236 3.707 0 1 EHAF CCC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)COC1 587832038 ATRSMZPXACPKDX-LKFCYVNXSA-N 328.225 3.590 0 1 EHAF COc1cccc(CCc2nc3ccc(Br)nc3[nH]2)c1 587932050 VMFFYKAOJHQHDK-UHFFFAOYSA-N 332.201 3.514 0 1 EHAF C=C1Nc2c(-c3ccccc3)c(COC)nn2C(C)=C1CCC(=O)O 958004565 YFUUYSMJDNZXRP-UHFFFAOYSA-N 339.395 3.732 0 1 EHAF CC(C)[C@]1(c2cccs2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963031907 RSKUIDNWQOSBOT-YJYMSZOUSA-N 326.465 3.701 0 1 EHAF CN1CCc2cn(C)nc2[C@]1(CCc1cc(F)cc(Cl)c1)C1CC1 963953615 BLZZJWJGUKVFMH-IBGZPJMESA-N 347.865 3.939 0 1 EHAF c1cn2c(NC3CCCCC3)c(-c3ccc4nccn4c3)nc2cn1 1857617944 TVBFKBCYUXAMCK-UHFFFAOYSA-N 332.411 3.789 0 1 EHAF O=C(Nc1ccccc1)N1CCN(c2cccc3cnccc23)CC1 1857768129 UZUDHMLDDNCBFB-UHFFFAOYSA-N 332.407 3.589 0 1 EHAF CCCNC(=S)NC[C@H]1CCc2ccc3ccc(OC)cc3c21 1857772408 FKHWJLFCQFYYNP-OAHLLOKOSA-N 328.481 3.752 0 1 EHAF COc1cc2c(cc1OC)[C@@H](CCCCN1CCCCC1)OC2=O 1911578913 AFOCVZCOMYGUSP-MRXNPFEDSA-N 333.428 3.572 0 1 EHAF O=c1c2c(C(F)(F)F)cc(C(F)(F)F)nc2[nH]n1-c1ccccc1 103914447 ZWQAEERTGYKMAZ-UHFFFAOYSA-N 347.218 3.751 0 3 EHAF COc1ccccc1-c1noc(=O)n1-c1cccc(C(F)(F)F)c1 78252 LQWTVDHYWXZDHM-UHFFFAOYSA-N 336.269 3.520 0 1 EHAF in-vivo CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)Nc1cccc(C(C)=O)c1)C2 4886723 JGJUKYHYKCAEKR-YQQQUEKLSA-N 343.471 3.806 0 1 EHAF CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 12867357 AQQROLPNBMFHBE-MXSMSXNCSA-N 336.520 3.648 0 1 EHAF Cc1nccn1C[C@@H]1CCc2c(c3cccc4c3n2CCS4)C1=O 13834034 LGFXCBJGYUAXAM-ZDUSSCGKSA-N 337.448 3.697 0 1 EHAF COc1ccc([C@H]2CCc3cc(OC)c(OC)c(OC)c32)cc1O 27416502 QYUAUFKQRRPTIK-CYBMUJFWSA-N 330.380 3.505 0 1 EHAF in-vivo CC1(C)C(=O)Nc2cc3[nH]c(-c4ccc(-n5ccnc5)cc4)nc3cc21 29244088 WBVJNIWMGSKNCA-UHFFFAOYSA-N 343.390 3.645 0 1 EHAF CC(=O)Oc1ccc2c(c1)CCn1c-2cc2ccc(OC(C)=O)cc21 29345743 YMUKXXDMSVKCEU-UHFFFAOYSA-N 335.359 3.715 0 1 EHAF CCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 40894035 AGRWERLWTNBCHT-UHFFFAOYSA-N 329.469 3.968 0 1 EHAF CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cccc(Cl)c1 43021829 QGLSNIDQEFSQHF-UHFFFAOYSA-N 337.857 3.934 0 1 EHAF COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(N)=S)cc1 53314882 DHEZMKZYJNFVFC-SFHVURJKSA-N 339.464 3.707 0 1 EHAF O=C1c2ccccc2-c2ncc(OCCN3CCCC3)c3cccc1c23 71342014 AXICBACTWUBGMF-UHFFFAOYSA-N 344.414 3.921 0 1 EHAF CCC[C@H](C)Nc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 82161783 ACOAUPVEWYVMEF-LBPRGKRZSA-N 331.416 3.770 0 1 EHAF CCOC(=O)c1cc(Cc2ccc(Cl)cc2Cl)c(=O)[nH]c1C 84689982 HMZQLBXMWRQRRM-UHFFFAOYSA-N 340.206 3.758 0 1 EHAF O[C@@H]1Cc2ccccc2C[C@H]1N1[C@H]2CC[C@H]1CC(c1ccccc1)C2 101456971 ZLZAFQPDXYRKBT-MYDTUXCISA-N 333.475 3.925 0 1 EHAF NC(=O)c1cnc(Nc2ccccc2)c2cc(Br)sc12 103234582 WZAPQZZWZZYNQQ-UHFFFAOYSA-N 348.225 3.901 0 1 EHAF COc1cc(-c2ccc3c(c2)NC(=O)/C3=C/c2ccc[nH]2)ccc1O 103526659 AYSXURJZVXBSRV-LFIBNONCSA-N 332.359 3.889 0 1 EHAF in-vitro CCc1nn(-c2ccccc2)c2cc(N3CC[C@@]4(CCNC4)C3)ccc12 147350163 TVZXCWHIALPSLA-JOCHJYFZSA-N 346.478 3.778 0 1 EHAF C[C@H](CF)OC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 253659137 ISWUXQKIYIOEJI-ZQOQDGPXSA-N 339.838 3.808 0 1 EHAF CN1[C@H]2CC[C@H]1[C@H](C(=O)N1CCCCC1)[C@H](c1ccc(Cl)cc1)C2 253690330 MEFDIGWKZIICLQ-CADBVGFASA-N 346.902 3.919 0 1 EHAF CC[C@H](O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586900471 KIZFRQXSRXIWKQ-QMMMGPOBSA-N 339.111 3.667 0 1 EHAF Cc1c(Br)cnc2[nH]c([C@H]3C[C@@H](O)c4ccccc43)nc12 586903893 QVXSQFUPYHHFCL-WCQYABFASA-N 344.212 3.598 0 1 EHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)ccnc2[nH]1 586962261 CSXOPYBNTSAJQS-VIFPVBQESA-N 335.820 3.659 0 1 EHAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(F)c(F)cc2[nH]1 586962567 GLLGIUKZMKQIHR-LBPRGKRZSA-N 336.367 3.889 0 1 EHAF COC(=O)c1ccnc2[nH]c([C@@H](C)Oc3ccc(Cl)cc3C)nc12 587068043 WSDXQLHZWFJPFE-SNVBAGLBSA-N 345.786 3.846 0 1 EHAF FC(F)(F)c1cccc(-c2nc3c(S)nc(S)nc3[nH]2)c1 587111368 BARUPHHZTXDGIQ-UHFFFAOYSA-N 328.344 3.616 0 1 EHAF O=NCc1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 587191395 ZNBDPZKCRHRUOM-UHFFFAOYSA-N 332.157 3.964 0 1 EHAF CSc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(SC)n1 587409530 HSNVNKDOGCORFI-ZDUSSCGKSA-N 347.465 3.518 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1occc1Br)[C@@H](C2)C3=O 587412610 JFQSAACFGHGZFQ-MGPLVRAMSA-N 349.180 3.714 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4nnc(C)o4)cc1)[C@@H](C2)C3=O 587437089 WTDDTJXOSUDETG-HNAYVOBHSA-N 348.358 3.542 0 1 EHAF CO[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600284 NPRRBEPDILFIPH-VOWSPCBNSA-N 340.375 3.682 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1c(F)c(F)cc(F)c1F 587651357 IBKISAYXXFURQA-UHFFFAOYSA-N 328.652 3.596 0 1 EHAF COC(=O)Cc1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587783283 MBGDAONJWKUMES-UHFFFAOYSA-N 336.725 3.877 0 1 EHAF CCO[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587809199 IFRHTMBQUYOHMO-OWRWGESLSA-N 342.252 3.907 0 1 EHAF CCC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)COC1 587832051 AVJVSUHEPXUAJI-OTYXRUKQSA-N 328.225 3.590 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C)CCOCC2)N1 587835530 PHNSFHMKNVMOJQ-ZUZCIYMTSA-N 342.252 3.980 0 1 EHAF COCc1ncc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cn1 962660546 DHXGUTREPHUDQE-NRFANRHFSA-N 331.419 3.525 0 1 EHAF O=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1ccccc1 1772585322 VPYJUJWHNRADAQ-UHFFFAOYSA-N 341.374 3.582 0 1 EHAF COc1cccc([C@@H](O)c2cc(O)cc(-c3c(C)noc3C)c2)c1 1857752418 OQOCDTOXZMHWOG-LJQANCHMSA-N 325.364 3.754 0 1 EHAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 2356527374 FEFGOXRYWHWPMB-GVDBMIGSSA-N 327.428 3.521 0 1 EHAF CC=C(C)C(=O)O[C@@H]1[C@@H]2CO[C@H](O)[C@@H]2[C@]2(C)C(C)(C)CCC[C@@]12C 2356680143 WYCGITBNEASEQG-DRXPPAGNSA-N 336.472 3.682 0 1 EHAF CCCc1cc(O)cc(O)c1Oc1cc(O)cc2c1C(=O)O[C@H](C)C2 2356722549 KEWYVOQXUSXFSF-SNVBAGLBSA-N 344.363 3.650 0 1 EHAF CCN(CC)c1ncnc2sc(C(=O)N3CCC[C@H](C)C3)c(C)c12 223812 NYCQCPHEGCNNIW-LBPRGKRZSA-N 346.500 3.718 0 1 EHAF CC[C@@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CC(C)C)nc3n2)C1 2497960 LBBIKZDEZKCWBB-UONOGXRCSA-N 328.460 3.532 0 1 EHAF NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC3(CC3)C2)cc1 3814732 RSVKRWJGUDWYLS-UHFFFAOYSA-N 343.423 3.958 0 1 EHAF O=C(O)c1ccc2c(c1)[C@@H](NCc1cccnc1)c1ccccc1CO2 4628653 GUAVXMUJVVEXBF-FQEVSTJZSA-N 346.386 3.551 0 1 EHAF COc1ccc(CNC(=O)c2cc3ccc4cccnc4c3[nH]2)cc1 20575453 QCALEUKEXHEZGD-UHFFFAOYSA-N 331.375 3.655 0 1 EHAF O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccccc2O)no1 21527713 LASKTUOWZBIIQC-UHFFFAOYSA-N 330.727 3.659 0 1 EHAF Cc1csc2c(=O)oc([C@H](C)NC(=O)OCc3ccccc3)nc12 29465950 OTRRJCQTEZOIAF-NSHDSACASA-N 344.392 3.545 0 1 EHAF CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1C1CCCCC1 34029467 RLMGQZOUXZOSKE-QGZVFWFLSA-N 343.423 3.666 0 1 EHAF COCCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1 40391872 KWZVOZYJVSTZBL-UHFFFAOYSA-N 328.393 3.692 0 1 EHAF c1ccc(OCC2[C@H]3CN(Cc4cnc5ccccc5c4)C[C@@H]23)cc1 40420953 YDELNLPCFPCQQX-WCRBZPEASA-N 330.431 3.992 0 1 EHAF C[C@H](COc1ccccc1Sc1cccc(F)c1)N(C)CC(=O)O 40565959 ZMBPRZHPDSXQIE-CYBMUJFWSA-N 349.427 3.761 0 1 EHAF O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12 43195058 GHAZVJQMLWOQLP-UHFFFAOYSA-N 333.273 3.688 0 1 EHAF CCCC1=Nc2ncnn2[C@@H](c2sccc2C)/C1=C(\O)OCC 101963062 PDUQIBRCGFPGER-MLJWKTOOSA-N 332.429 3.930 0 1 EHAF CCc1cccc2nc(CSc3nc(-c4ccccc4)cn3C)nn12 113419826 MSPYMYKJAGOPJM-UHFFFAOYSA-N 349.463 3.985 0 1 EHAF Cc1cc2[nH]ncc2c2sc(NC(=O)CNc3ccccc3)nc12 142280701 NJFACZYFDXJKON-UHFFFAOYSA-N 337.408 3.532 0 1 EHAF C[C@@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NC3CC3)c2)c(F)c1 143900069 PHMCNCJVXQUZJK-LLVKDONJSA-N 343.354 3.932 0 1 EHAF Nc1cccc(NC(=O)c2ccnc3[nH]c(-c4cccs4)nc23)c1 145128199 JTIXLQHXLSHLLV-UHFFFAOYSA-N 335.392 3.521 0 1 EHAF CSc1ccc([C@H]2NC(=O)N=C(C)[C@H]2C(=O)OC2CCCC2)cc1 169719578 HYLLFLYEXAQCCC-HZPDHXFCSA-N 346.452 3.736 0 1 EHAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1NC(C)C 206122935 QDBBFQPBTRDBMD-SNVBAGLBSA-N 335.411 3.558 0 1 EHAF C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 299819579 IGTBWNRPQOIMSD-OTMUPFRYSA-N 347.499 3.845 0 1 EHAF CCOc1nn(-c2ncc(CC)c(C)n2)c(C)c1Cc1ccccc1 299872085 ZXONHTNNZUVISJ-UHFFFAOYSA-N 336.439 3.831 0 1 EHAF O=C(O)c1ccccc1/C=C/c1nc2c(Br)ccnc2[nH]1 586882171 LFCMSBDLCPJSGA-AATRIKPKSA-N 344.168 3.589 0 1 EHAF Cc1c(Br)cc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2c1C 586907813 XPKXBOPVYBHJGY-VIFPVBQESA-N 337.217 3.751 0 1 EHAF COc1cc(Cl)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O 587376468 DCFCBQMIQJRPET-CQSZACIVSA-N 333.771 3.651 0 1 EHAF Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587585624 FKDDCCIVSKPNMP-YLJYHZDGSA-N 348.358 3.502 0 1 EHAF CSC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587614667 UGYONFBFHKWLEU-RHSMWYFYSA-N 328.389 3.618 0 1 EHAF CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2cc(Cl)c(F)cc12 587632111 PDRXRHHNKIUSSI-UHFFFAOYSA-N 335.766 3.846 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N)N1 587749390 PCTNHRQEVANPIM-FVMDXXJSSA-N 335.220 3.794 0 1 EHAF CC(=O)CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814846 WEPAJBHVYGRFBN-RFAUZJTJSA-N 328.225 3.707 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](C)C[C@H]2C 587823145 OLPKHIOJWGLAHI-IOOBAMJDSA-N 340.236 3.563 0 1 EHAF C[C@H](CCc1nc2ccc(F)c(Br)c2[nH]1)CC(=O)O 587963428 WCPFGYIYUZVYQE-SSDOTTSWSA-N 329.169 3.508 0 1 EHAF O=C(CSc1nc2sccc2c(=O)n1C1CC1)c1cccs1 653739210 ALUWLHHURZUGIX-UHFFFAOYSA-N 348.474 3.829 0 1 EHAF NC(=O)N1CCc2sccc2[C@H]1c1c(Cl)ccc2cccnc12 962701665 BVMHNIATXZDDSK-INIZCTEOSA-N 343.839 3.976 0 1 EHAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1cnnn1-c1ccccc1 963092495 AYDCWSQVOZJYFL-YLJYHZDGSA-N 334.398 3.516 0 1 EHAF CC(=O)Nc1ccsc1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963110441 MXYLNRGKGUBRHF-GUYCJALGSA-N 330.428 3.956 0 1 EHAF O=C(O)c1cc(CCc2cccc(C(F)(F)F)c2)cc(C(=O)O)c1 1772578369 JSBVDPJEWZSBSH-UHFFFAOYSA-N 338.281 3.887 0 1 EHAF CCNc1ccc(NC(=O)c2c(-c3ccccc3)noc2CO)cc1 1772639674 XWCHAJJAWQWFQH-UHFFFAOYSA-N 337.379 3.518 0 1 EHAF c1ccc(-c2nnn(CCCSc3nc4ccccc4o3)n2)cc1 1772642538 DSVVGFSHLZCZQH-UHFFFAOYSA-N 337.408 3.664 0 1 EHAF CC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 1857536509 CIUZTBJZAMUYJU-LTMFWQMUSA-N 334.500 3.710 0 1 EHAF COc1ccccc1-c1nc(C)c(COc2ccc(C(=O)O)cc2)o1 1857640352 MFBJHAACEMGJFK-UHFFFAOYSA-N 339.347 3.936 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cc(C)cc(C)c1 2356301116 REDLAXLXLHLQSW-RYRKJORJSA-N 331.529 3.710 0 1 EHAF COc1cc(OC(C)=O)c2c(c1Cl)O[C@@H](c1ccccc1)CC2=O 2356303391 TUJQYDQSLRHDRP-CYBMUJFWSA-N 346.766 3.980 0 1 EHAF CC[C@H](C)C(=O)O[C@@H]1CC(C)=C[C@H](O)[C@H]1[C@](C)(O)CCC=C(C)C 2356470791 JUXQSTHZYPGVLK-WRMBXCAGSA-N 338.488 3.769 0 1 EHAF CC1=CCC[C@](C)(O)[C@@H](O)CCC(C)=C[C@H]2OC(=O)C(C)=C2CC1 2356596567 KISXSEZMRISOQB-HBFSDRIKSA-N 334.456 3.587 0 1 EHAF CCO[C@@H](CNC(=O)C=Cc1ccccc1)c1ccc(OC)cc1 2356663560 LXXLURHVWSXSJP-IBGZPJMESA-N 325.408 3.602 0 1 EHAF CC(C)c1cc(C(=O)O)c([C@]2(C)CCC[C@]3(C)COC(=O)[C@H]32)cc1O 2356676649 XEYFSNHIPLMFRB-AHRSYUTCSA-N 346.423 3.835 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2CC2=CCC[C@H](C)[C@]21C 2356690487 YVPHQKOPRGZWCY-GHHTXBMSSA-N 330.424 3.873 0 1 EHAF Cn1cc(-c2coc3c(C(=O)NCc4cccs4)cccc23)cn1 61895354 CJKSJPPVQUMTCC-UHFFFAOYSA-N 337.404 3.825 0 3 EHAF C[C@H](NC(=O)c1cccc2ccccc12)[C@@H](O)c1nc2ccccc2[nH]1 206054393 VLVROODIFVFPPQ-ORAYPTAESA-N 345.402 3.568 0 3 EHAF COc1ccc2c(c1O)OCc1c-2oc2c(OC)c(OC)ccc12 14763563 VXLPCXJIKXLNSX-UHFFFAOYSA-N 328.320 3.724 0 1 EHAF biogenic O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2[nH]ncc12 14973848 MMDHAGYNJNCDAF-UHFFFAOYSA-N 334.301 3.903 0 1 EHAF CCc1c(F)c(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@H](C)CC3=O 29133849 LNKUYPYNHHUQPX-RKDXNWHRSA-N 344.338 3.642 0 1 EHAF CC[C@]1(C(=O)N[C@@H](C)COc2ccccc2)[C@@H](C)C1(Cl)Cl 29341329 IHMYHDMFLZNJLA-YWPYICTPSA-N 330.255 3.790 0 1 EHAF CN(C)C(=O)c1cnc(C(=O)CCCCCCc2ccccc2)o1 36079981 XWLDAGUABGJRLH-UHFFFAOYSA-N 328.412 3.752 0 1 EHAF O=C(O)c1cn2c(cc(Cl)c3ccc(Br)cc32)n1 39281651 JWTBCVUMWAOWGF-UHFFFAOYSA-N 325.549 3.602 0 1 EHAF O=c1cc(Cc2c(F)cccc2F)nc(Sc2ccccc2)[nH]1 40917850 MDPMRWHXRDITBN-UHFFFAOYSA-N 330.359 3.790 0 1 EHAF COc1cc(-n2ncnc2-c2ccc(Cl)cc2)cc(OC)c1OC 49781449 DPTXOADMKHFEOO-UHFFFAOYSA-N 345.786 3.614 0 1 EHAF CC(C)CN1C[C@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 66138181 FDBHGSADCGAUSO-MQVJKMGUSA-N 341.282 3.557 0 1 EHAF COc1ccc2c(=O)c(/C=C/C(=O)Nc3ccc(C)cc3)coc2c1 95590541 GARDNYIWVQUIIK-BJMVGYQFSA-N 335.359 3.762 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3ccc(O)cc3CC[C@@H]21 100620814 DVSRNXVDLALNTQ-CTNGQTDRSA-N 346.430 3.985 0 1 EHAF CCOC1(OCC)C(C)(C)[C@@H]2c3ccccc3[C@]1(C)c1cccc[n+]12 100714757 OIKLTEIZRYPUJI-PZJWPPBQSA-N 338.471 3.992 0 1 EHAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](NC)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 121226316 BKSZWYDLWWBRIR-QNOXAFRZSA-N 345.527 3.713 0 1 EHAF Cc1ccc(-c2nc3ccc(C4=NNC(=O)[C@@H]5C[C@@H]45)cc3o2)cc1C 139329124 CCYBZCDHHMUDBE-HUUCEWRRSA-N 331.375 3.582 0 1 EHAF CC(C)(CSc1ccccc1)NC[C@@H](O)COc1ccccc1 169325875 QOIVUBTXMBPRII-MRXNPFEDSA-N 331.481 3.587 0 1 EHAF Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)cnc(=O)n1C 261172566 UBNPQQHOEROCRV-UHFFFAOYSA-N 341.798 3.905 0 1 EHAF CCCc1cnc(-n2nc(OCC)c(Cc3ccccc3)c2C)nc1 299858318 DPVRHQNWKOVLAX-UHFFFAOYSA-N 336.439 3.913 0 1 EHAF Cc1cc(O)c(C(=O)C2=NNC[C@H]2c2ccccc2)c(C)c1Cl 299860340 JDJGQJAREBNWLN-ZDUSSCGKSA-N 328.799 3.588 0 1 EHAF Cc1cc(O)ccc1C1=CS(=O)(=O)C=C1c1ccc(O)cc1C 584904942 VCJJRUDBJHAKJP-UHFFFAOYSA-N 328.389 3.525 0 1 EHAF in-vitro CN(C)C(=O)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586886221 FLTGUICWEHFSTR-HRAATJIYSA-N 331.419 3.636 0 1 EHAF OCc1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 586895412 ZTNUSEYFFLAQHT-UHFFFAOYSA-N 339.139 3.763 0 1 EHAF Nc1ccc(F)c(Cc2nc3ccc(F)c(Br)c3[nH]2)c1 587141444 SKGIILMUCNQJSZ-UHFFFAOYSA-N 338.155 3.777 0 1 EHAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cncc(Br)c2[nH]1 587196687 XNAAODHUPHEPHM-JTQLQIEISA-N 345.244 3.938 0 1 EHAF CC(C)[C@H](c1nc2c(Cl)ncnc2[nH]1)N(C)C(=O)OC(C)(C)C 587197204 ARWLCBQTHLRNAJ-SNVBAGLBSA-N 339.827 3.570 0 1 EHAF COc1cc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1C 587216750 LEVZIJFFEGCUBN-INIZCTEOSA-N 337.423 3.608 0 1 EHAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cnccc4[nH]3)c2)c1 587235077 KRHSQCAMGGDBQP-UHFFFAOYSA-N 342.402 3.575 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)O)cc1Cl)O2 587374063 FZDWOAPMAHZDJS-HNNXBMFYSA-N 331.755 3.635 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)Oc3ccc(F)cc31)O2 587383749 FXFKOPPFSBIQSW-JEOXALJRSA-N 327.355 3.748 0 1 EHAF CCCC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399903 MYRVHSNIYPHWMD-IFXJQAMLSA-N 333.428 3.671 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)nc1)CC2=O 587466799 BGBLDFYFUICXSF-KRWDZBQOSA-N 326.396 3.512 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)CC)nc1)CC2=O 587468836 KIWYUMDWNLFNJF-GOSISDBHSA-N 340.423 3.902 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)cs1)CC2=O 587495443 RARSENRNAJSTKQ-HNNXBMFYSA-N 346.404 3.899 0 1 EHAF Cn1cc(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)cn1 587629340 LBBSUJWRAYHAEC-UHFFFAOYSA-N 327.693 3.863 0 1 EHAF Cc1c(-c2cc(F)c(O)c(F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650287 RDLUPRMOCHVJDB-UHFFFAOYSA-N 337.347 3.531 0 1 EHAF Nc1ccc2oc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2c1 587874580 FQNIOUZJMXKEGE-UHFFFAOYSA-N 335.294 3.812 0 1 EHAF COc1ccc2c(c1OC)[C@@H](c1ccnn1CC(C)C)N(C)[C@H](C)C2 962615920 APCVRBSIFYMOJQ-AUUYWEPGSA-N 343.471 3.522 0 1 EHAF CC1=CC(=O)O[C@@]12C[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@H](O)[C@@]1(C)O2 1772639296 AXKUJLZPRKGUNV-WXGLRWSMSA-N 334.456 3.578 0 1 EHAF Cc1cccc(-n2ccc(OC[C@H](C)Oc3ccccc3)cc2=O)c1 1857567972 JKJARKIDDGDMGJ-KRWDZBQOSA-N 335.403 3.992 0 1 EHAF COc1ccc(-c2cn(Cc3cc(-c4ccccc4)no3)nn2)cc1 1857767666 OYRNORLICHDZIH-UHFFFAOYSA-N 332.363 3.657 0 1 EHAF C[C@@H]1Cc2c(O)cc3c(c2[C@@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 2356399378 UFGNCOLKCKXERC-PJYBLOJUSA-N 340.375 3.810 0 1 EHAF CC1=C[C@H](CNC2=CC=C[CH]N2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356841635 XCGMDJFNBVUVFK-RCCFBDPRSA-N 341.479 3.527 0 1 EHAF O=C1O[C@@H](c2ccccc2)C[C@@H](O)C(=O)CCCCc2ccccc21 95600584 GXVGGXOPVDFIOM-WOJBJXKFSA-N 338.403 3.631 0 3 EHAF COc1cc2[nH]c(Cc3ccccc3)cc(=O)c2cc1-c1cnco1 12354253 KFOFITHKZCJKBC-UHFFFAOYSA-N 332.359 3.783 0 1 EHAF COC(=O)CCN(C)CCCOc1ccc(Cc2ccsc2)cc1 13475304 BYJHZLDLKOKIFU-UHFFFAOYSA-N 347.480 3.603 0 1 EHAF CN(C)CCOc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2 28371250 JQLMJSIJNBRCQZ-UHFFFAOYSA-N 337.851 3.575 0 1 EHAF C[C@H](Oc1ccc(Nc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O 29471720 IKTIGIUFHQDJHV-JTQLQIEISA-N 343.770 3.879 0 1 EHAF CN(c1nc2ccccc2[nH]1)C1CCN(CCc2ccccc2)CC1 29566403 KFASOZHWOIKPFT-UHFFFAOYSA-N 334.467 3.706 0 1 EHAF Cc1cccc(Nc2ccc(-c3ccc(N4CCNCC4)nc3)cc2)n1 71332305 NVWQTSFYXZCHPE-UHFFFAOYSA-N 345.450 3.605 0 1 EHAF in-vivo O[C@](c1cccnc1)(c1cncc(F)c1)c1ccc(Cl)cc1F 72186608 SWZHALBNGGORGF-QGZVFWFLSA-N 332.737 3.692 0 1 EHAF CC[C@H](C)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(C)c(=O)c12 73223110 ADUCQYPMTFLOKC-LBPRGKRZSA-N 339.439 3.839 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC(=O)[C@H]32)C1 80395565 VEIFMBQHUYNEPN-LVYXWCBCSA-N 346.467 3.709 0 1 EHAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CC)CC)n1 82067050 XETAIDVBVGNZLR-ZDUSSCGKSA-N 345.447 3.729 0 1 EHAF COc1cccc([C@@H](O)c2nnc(Nc3ccccc3C)s2)c1 82078258 CUFZONDOJOEANO-OAHLLOKOSA-N 327.409 3.680 0 1 EHAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3cccs3)C2)cc1 84669768 NGPMIMARODMZJV-CQSZACIVSA-N 341.461 3.837 0 1 EHAF CCCN1CCN(C2=Nc3ccccc3Nc3cscc32)CC1 169338706 BEGGSAKPTZJVTF-UHFFFAOYSA-N 326.469 3.911 0 1 EHAF N[C@@H](c1ccc(Cl)c(C(=O)c2ccc(CO)cc2)c1F)C1CC1 220727385 WDPFLKLZMLANAJ-QGZVFWFLSA-N 333.790 3.612 0 1 EHAF COc1ccc(-c2nc(NCCN(C)C)c3cc(C)ccc3n2)cc1 299869531 UXIRAEGCLAWHKQ-UHFFFAOYSA-N 336.439 3.587 0 1 EHAF OCc1cccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 586894946 HJASXQRMQQUOIO-UHFFFAOYSA-N 338.592 3.533 0 1 EHAF O=C1O/C(=C/c2nc3c(Cl)c(Cl)cnc3[nH]2)c2ccccc21 586905791 CFVZRZNVCHWOCQ-BJMVGYQFSA-N 332.146 3.933 0 1 EHAF O=C1c2ccccc2-c2cc(-c3cc(CO)on3)nc3cccc1c23 587106083 LMCPPMONRIKUJA-UHFFFAOYSA-N 328.327 3.594 0 1 EHAF COc1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587233649 SBRNIWYINXCTMF-QWHCGFSZSA-N 331.416 3.732 0 1 EHAF N=c1ncc(-c2cccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)c[nH]1 587255023 VJMHOQUMYLLTJV-UHFFFAOYSA-N 339.761 3.892 0 1 EHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F 587383944 XUGZYZAKYNQLKY-HNNXBMFYSA-N 349.333 3.894 0 1 EHAF CCCCCCN1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587396654 VKCXEGQHCDBLTI-UHFFFAOYSA-N 330.472 3.957 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc4[nH]nc(Cl)c4c1)[C@@H](C2)C3=O 587420820 MBZCLXBAJCRNIL-YVEFUNNKSA-N 340.766 3.714 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C1CCC1)CC2=O 587483215 PTRBYTGBVQACJV-HXUWFJFHSA-N 346.423 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccnc(OC)c1)CC2=O 587488521 OUXIKYOWFLUJCE-LJQANCHMSA-N 327.380 3.629 0 1 EHAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C 587579570 UUXXZDVFCPMZIZ-XLIONFOSSA-N 335.359 3.742 0 1 EHAF O=C(c1c(F)cccc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651556 MACIIEHXSDAGNM-UHFFFAOYSA-N 337.137 3.531 0 1 EHAF CC(=O)[C@@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587811483 GLQSIKGOMRPFGP-QLJPJBMISA-N 342.252 3.953 0 1 EHAF CC[C@@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587827304 KHZHJHGBXCIYFA-VFZGTOFNSA-N 344.224 3.593 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc[nH]1 587863929 SSOGINXFOPMNPM-UHFFFAOYSA-N 335.285 3.594 0 1 EHAF O=C(CCN1CCCCCC1)n1nc2cc1Oc1ccc(F)cc1-2 587876176 PGFJFXMJAJCCAZ-UHFFFAOYSA-N 329.375 3.701 0 1 EHAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(CC=C(c3ccccc3)CC2)N1 962894505 JQZSFDRLWRLXLK-FPOVZHCZSA-N 337.394 3.887 0 1 EHAF NC[C@@]1(c2ccccc2Cl)c2ccc(F)cc2C[C@H]2CCCN21 963108092 OIEOPEJGNKJPLF-BEFAXECRSA-N 330.834 3.702 0 1 EHAF Oc1ccc2c(c1)[C@@](c1ccc(Cl)nc1)(c1cccs1)NCC2 963329341 MIUWNZLLZLPCGR-SFHVURJKSA-N 342.851 3.940 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(Cc1cccnc1)C(C)C 963611218 QNUUCVYPGNGIME-BTYIYWSLSA-N 340.467 3.727 0 1 EHAF CCCc1nn(C)c2c(NC(C)C)nc(/C=C/c3ccco3)nc12 1857545384 IUMMNHUVLHXGBJ-MDZDMXLPSA-N 325.416 3.900 0 1 EHAF COc1cccc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)c1 1857579017 UIWYFIAVKSUNNB-UHFFFAOYSA-N 345.358 3.801 0 1 EHAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccsc2)c1C 24072 JNWRGPHBQUMQGS-UHFFFAOYSA-N 334.422 3.821 0 1 EHAF O=C(NCc1ccc(Cc2c[nH]cn2)cc1)Nc1ccc(Cl)cc1 13439926 VMILBTWRYFVDBY-UHFFFAOYSA-N 340.814 3.976 0 1 EHAF CCOC(=O)c1ccc(NCNc2ccc(C(=O)OCC)cc2)cc1 15147469 HASJWDPFBRPJNC-UHFFFAOYSA-N 342.395 3.522 0 1 EHAF biogenic CCCCC[C@H](O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O 15256919 OEGIGAPIFHYJOL-DLBZAZTESA-N 338.444 3.596 0 1 EHAF endogenous,in-man CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N)c3CC[C@@H]21 45337482 VLPGZLXTGTZSSM-PKOBYXMFSA-N 328.843 3.562 0 1 EHAF COc1ccc(CC[C@H]2CC(=O)c3cc(OC)c(OC)cc3O2)cc1 95910736 JOQAPYCQKFKRID-HNNXBMFYSA-N 342.391 3.679 0 1 EHAF biogenic,in-vitro CO[C@@]1(C)C[C@]23CC[C@@H]4[C@@](C)([C@H]2C=C[C@@H]1C3)[C@H](O)CC[C@@]4(C)C(=O)O 102070819 JMCDUBQYQMSCGT-YLKIOQGFSA-N 348.483 3.636 0 1 EHAF CCC[C@@H]1S/C(=C/c2nc3ccc(C(F)(F)F)cc3[nH]2)NC1=O 103234187 ZMKGMJBKIANZPJ-DELQEKLWSA-N 341.358 3.912 0 1 EHAF CCc1ccc([C@H]2C(C(=O)OC)=C(C)N=C(C)/C2=C(/O)OC)cc1 103544353 FQZRURWRSSNZFW-PQMNFKMDSA-N 329.396 3.670 0 1 EHAF CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(-c3cccs3)s1)C2 169354010 HOYMYBXHUOKEKJ-CLLJXQQHSA-N 332.494 3.832 0 1 EHAF COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCC(F)CC3)c12 224880252 CNKMORSUWBKGDA-UHFFFAOYSA-N 344.365 3.711 0 1 EHAF Oc1c(-c2nc3ccc(Br)nc3[nH]2)ccc2c1CCCC2 586897786 JMUPSCHHKOORNE-UHFFFAOYSA-N 344.212 3.972 0 1 EHAF Cc1cc2c(Br)ccc(-c3nc4cncnc4[nH]3)c2o1 587004702 ZAQSIYSETQGZOF-UHFFFAOYSA-N 329.157 3.837 0 1 EHAF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587084488 NWZHTPNWUGOHEZ-UHFFFAOYSA-N 326.114 3.769 0 1 EHAF COc1c(F)ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1N 587133423 PXOCPBAOQWJUAP-UHFFFAOYSA-N 327.693 3.891 0 1 EHAF CC(C)Oc1cc2nc(C[C@H](C)N(C)C)[nH]c2cc1Br 587192672 YXHGISTUHQQNOS-JTQLQIEISA-N 340.265 3.605 0 1 EHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(F)cnc2[nH]1 587236042 WLZDBOJURDMFFL-VXGBXAGGSA-N 334.395 3.648 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnn(CC(F)F)c1)CC2=O 587464972 DDLRXTMPIRJCEU-HNNXBMFYSA-N 336.338 3.513 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(cnn3C)c1)CC2=O 587475449 MBGMSMRDADMBEG-LJQANCHMSA-N 336.391 3.938 0 1 EHAF CCC[C@]1([C@@H](C)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587523640 LOIIANVKKJPSMI-RNODOKPDSA-N 330.424 3.879 0 1 EHAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(C(F)(F)F)[nH]c12 587638846 REYSBVGBGFRUOA-UHFFFAOYSA-N 325.164 3.630 0 1 EHAF Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)co1 587775483 RBWRGBYUSFQHTO-JKYUHCHBSA-N 325.181 3.508 0 1 EHAF CCC/N=c1\c(NC(=O)Cc2ccccc2)c(O)oc2ccccc12 617996281 OVVWSKDLPHJEJO-UZYVYHOESA-N 336.391 3.630 0 1 EHAF COc1ccccc1C(=O)Nc1n[nH]c(-c2ccccn2)c1C1CC1 653792946 RPFSVRFQXNWTEI-UHFFFAOYSA-N 334.379 3.610 0 1 EHAF CCC(CC)[C@@]1(C)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962635911 KTYHODQDOOOCCT-MLGOLLRUSA-N 345.361 3.836 0 1 EHAF O=C(C[C@H]1c2ccccc2-c2cncn21)NCc1cccc(Cl)c1 1857640845 VTQOWSMBFKCWBF-KRWDZBQOSA-N 337.810 3.813 0 1 EHAF CC(=O)OC[C@@H]1c2ccccc2[C@]2(C)CCC[C@](C)(COC(C)=O)[C@H]12 2356468143 RIIFDNXAHNUKBM-PMXSJFBMSA-N 344.451 3.974 0 1 EHAF COC(=O)C=Cc1cc(C=CC(C)(C)O)c2c(c1)C=CC(C)(C)O2 2356700862 IXPZMJNSDMFPNB-UHFFFAOYSA-N 328.408 3.841 0 1 EHAF COc1ccccc1[C@H]1N[C@@H](c2ccccc2OC)[C@H](C)C(=O)[C@@H]1C 169668318 NLSCCGAGHJFEOU-GOFCXKROSA-N 339.435 3.931 0 3 EHAF CCCS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1 13586682 KFZSJIORILAODE-UHFFFAOYSA-N 326.805 3.679 0 1 EHAF O[C@@H](COc1ccc(Oc2ccccc2)cc1)CO[C@@H]1CCCCO1 26390068 AVEWKRONOBTESG-OXJNMPFZSA-N 344.407 3.762 0 1 EHAF CC(C)CC[C@@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 27886410 MJERNKUXPGQCMF-LTFPLMDUSA-N 342.520 3.679 0 1 EHAF CO/C=C\[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 28569999 OTRGSZVOULSZGL-XKDGRLTOSA-N 332.484 3.811 0 1 EHAF CC(=O)c1cccc(CSc2nc3ccccc3n2CC(=O)O)c1 34659078 WXQRGLAQJHWPBU-UHFFFAOYSA-N 340.404 3.616 0 1 EHAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc(F)cc1 35585663 RUXSFUNAKIKHOB-ROUUACIJSA-N 343.398 3.816 0 1 EHAF Oc1ccc([C@@H]2Nc3ccccc3-c3ncnc4[nH]cc2c34)cc1F 45336883 OSIJBHLNHYZDAT-KRWDZBQOSA-N 332.338 3.985 0 1 EHAF CC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc12 49110819 AJRDBNMKOGTTMP-UHFFFAOYSA-N 327.405 3.698 0 1 EHAF Fc1ccc(F)c(CO[C@@H](CCn2cncn2)c2cccs2)c1 71329381 XJLRNTCSZNYOGD-HNNXBMFYSA-N 335.379 3.966 0 1 EHAF CCCc1nnc2sc(-c3c[nH]nc3-c3ccc(Cl)cc3)nn12 103175589 PPUJGFQUPKVNCW-UHFFFAOYSA-N 344.831 3.849 0 1 EHAF Cc1ccc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1 142049308 BSFJYIVEYPNGOB-GDBMZVCRSA-N 340.427 3.939 0 1 EHAF CCOc1cccc(N2CC(c3ccc([C@H](C)NC(C)=O)cc3)C2)c1 149926831 OVWOFNNJBQFKKA-HNNXBMFYSA-N 338.451 3.886 0 1 EHAF CC[C@H](O)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 586900104 CVOFLEMNWLIRPR-INIZCTEOSA-N 326.352 3.585 0 1 EHAF CC[C@H]1OCCC[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 586911462 KXRXJOQGPNKSEM-IONNQARKSA-N 328.185 3.532 0 1 EHAF CC[C@@H]1C(=O)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992171 YGBLHUVKFWKFLJ-SNVBAGLBSA-N 329.355 3.771 0 1 EHAF COC(=O)[C@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)C1(C)C 587107878 XBDTYDONVQZRCR-GOSISDBHSA-N 343.382 3.994 0 1 EHAF CN(C)C(=O)c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 587151225 XKTARVHKDCNFTG-YVMONPNESA-N 327.334 3.713 0 1 EHAF Cc1cc2nc(CCNC(=O)OCc3ccccc3)[nH]c2cc1Cl 587229048 ZHUHKSVKJCSURH-UHFFFAOYSA-N 343.814 3.994 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(C4CC4)nn1C(C)C)[C@@H](C2)C3=O 587430945 IDGMDLJVVGFSGS-XOBRGWDASA-N 338.407 3.839 0 1 EHAF CCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C(C)C)n1 587432563 QUBXWIDMDPKKJR-BFUOFWGJSA-N 326.396 3.524 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCOc4c(C)cc(C)cc41)[C@@H](C2)C3=O 587454285 SGNHTORLUYZKFX-BTYIYWSLSA-N 336.387 3.737 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(F)cc1F)CC2=O 587465871 HQRSMCOJLRMHSU-GOSISDBHSA-N 333.334 3.899 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(C=O)c1O)CC2=O 587487522 GCMKLKGZJICTCH-GOSISDBHSA-N 340.375 3.878 0 1 EHAF C[C@@]1(c2cccc3[nH]c(=N)oc23)CC(=O)c2ccc3c(c2O1)CCCC3 587512286 WMYNWKOJQIBFFH-NRFANRHFSA-N 348.402 4.000 0 1 EHAF CCc1cccc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521433 CCWNOIYUAVBFIM-JOCHJYFZSA-N 347.414 3.941 0 1 EHAF CCC(C)(C)c1ccc(OCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 587564641 NMSHSTIZXISTDM-UHFFFAOYSA-N 345.834 3.637 0 1 EHAF Fc1ccc2c(c1)-c1cc(n(C(=S)NCc3ccccc3)n1)O2 587875732 HSOAEVRNUNGYQV-UHFFFAOYSA-N 325.368 3.718 0 1 EHAF CCSc1cccc([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963494268 ZRSIFOPFFKMLPC-WMZOPIPTSA-N 343.448 3.501 0 1 EHAF O=C(O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 1772642853 MCWBXFFWUNRWKW-UHFFFAOYSA-N 326.135 3.809 0 1 EHAF CC=C(CO)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@@H]2C1 2356709723 RMYNXUZHSPSIKZ-WBZSCFCESA-N 332.440 3.589 0 1 EHAF CCC=CCC=CCC=CC=CC=C[C@H](O)[C@H](O)CCCC(=O)O 2356794755 LJVFZEAYTLPINK-RBUKOAKNSA-N 334.456 3.934 0 1 EHAF Cc1ccc2nc(NC(=O)Cn3cc4c(n3)CCCCC4)sc2c1 5148800 YFILQGOSMMYHAX-UHFFFAOYSA-N 340.452 3.709 0 3 EHAF CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCCC1 3798568 ONLSYSOUHYDKMJ-UHFFFAOYSA-N 347.499 3.790 0 1 EHAF CN1CC[C@@]23C1=Nc1ccccc1[C@]21CCN(C)C1=Nc1ccccc13 14722670 SNXAFBQZJGRMKH-SZPZYZBQSA-N 342.446 3.621 0 1 EHAF biogenic CCN(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12 14961290 IDTWBTMCQKAQQB-UHFFFAOYSA-N 337.358 3.647 0 1 EHAF CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)CC1 25989396 DFVGFKOVGWBMFZ-UHFFFAOYSA-N 349.386 3.590 0 1 EHAF c1cc2c(cc1-c1c3c(cc4cc5c(cc14)OCO5)COC3)OCO2 26180834 DVTAIHCIFKJDDS-UHFFFAOYSA-N 334.327 3.994 0 1 EHAF COc1cc2c(c(OC)c1OC)[C@H](c1ccc3c(c1)OCO3)CC2 26497628 HCDRGLJHCJKTON-ZDUSSCGKSA-N 328.364 3.519 0 1 EHAF O=C(c1ccccc1)c1cc2c(c(Cl)c1Cl)O[C@@H](C(=O)O)C2 27997001 WPKGIOAVBVRQFW-LLVKDONJSA-N 337.158 3.613 0 1 EHAF CCOC(=O)c1cc(-c2sc(-c3cccnc3)nc2C2CC2)n[nH]1 49111685 QDZMDPCQYPTXSL-UHFFFAOYSA-N 340.408 3.649 0 1 EHAF c1ccc(CNCc2ccc(CN[C@H]3CCc4cccnc43)cc2)nc1 49112946 GSCRMXPAVFDDAJ-NRFANRHFSA-N 344.462 3.544 0 1 EHAF O=C1Cc2ccccc2N1[C@@H]1C[C@@H]2C[C@H](C1)N(Cc1ccccc1)C2 64453486 KMSRSLBWGAQZCH-DFQSSKMNSA-N 332.447 3.629 0 1 EHAF c1ccc(-c2n[nH]cc2-c2ccnc(-n3cnc4ccccc43)c2)nc1 72115000 NYQLERMLYYSMQV-UHFFFAOYSA-N 338.374 3.873 0 1 EHAF CN1[C@H]2CC[C@H]1CC(OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C2 101226351 BVCZZYXMKXEVPJ-KBPBESRZSA-N 337.847 3.666 0 1 EHAF C[C@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(C#N)c4F)c23)C1 210720632 IGANZPRDUTWWRQ-LBPRGKRZSA-N 335.386 3.872 0 1 EHAF C/C=C1/CC[C@H]2C3=Nc4ccccc4[C@]34C[C@@H](C[C@H]4OC(C)=O)N2C1 238744389 VNHKEWIAYPUPDF-AIIYJIENSA-N 336.435 3.529 0 1 EHAF O=C(O)c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1F 587017085 HMLXXILZSZAXNF-UHFFFAOYSA-N 343.339 3.708 0 1 EHAF C[C@@H](O)c1ncc(-c2nc3ccc(Br)c(F)c3[nH]2)s1 587022598 ROLYQQQLLZGTQV-RXMQYKEDSA-N 342.193 3.641 0 1 EHAF OCc1ccc(F)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 587141158 YLIDMNQAAWZYDP-UHFFFAOYSA-N 339.139 3.763 0 1 EHAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc4c(cc3[nH]2)OCCO4)c1F 587151284 GXITYQSKFOEZDC-MNOVXSKESA-N 328.318 3.883 0 1 EHAF Cc1c(NC(N)=O)cccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587239304 JEAFOEYWJUDEQQ-UHFFFAOYSA-N 338.264 3.585 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1(C(F)F)CC1 587557749 SRQHGZKNMIRGCJ-BBRMVZONSA-N 332.302 3.768 0 1 EHAF C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(F)c(Cl)c12 587631791 UNFKOIQZTDAFCG-UJSLJHBJSA-N 348.805 3.951 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCO2)N1 587851964 YQCOOQSTUJHMGE-ONENECBXSA-N 328.225 3.517 0 1 EHAF C[C@@H](S/C=C1/NC(=O)c2c(-c3ccccc3)csc2N1)C(=O)O 958054856 OGEDMUIRXQDHKR-ZPBHHCQCSA-N 346.433 3.576 0 1 EHAF COc1ccc2c(c1OC)[C@H](c1c(F)cc(O)cc1F)N(C)[C@@H](C)C2 962566756 IWQUFFRHOCPFMR-XTZNXHDOSA-N 349.377 3.653 0 1 EHAF CC(C)[C@@]1(CCCCCCC(=O)O)NCCc2nc3ccccn3c21 962991330 VBVYFKPWACJNIS-HXUWFJFHSA-N 343.471 3.757 0 1 EHAF CN1CCc2cn(C)nc2[C@@]1(c1cc(F)c(F)c(F)c1)C(C)(C)C 963954082 GOCPNAHVZLOSFH-SFHVURJKSA-N 337.389 3.615 0 1 EHAF NC(=O)c1c[nH]c2ccc(-c3cccnc3)cc2c1=NC1CCCCC1 1857576072 FBAGSPXKRDFJOK-UHFFFAOYSA-N 346.434 3.562 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1[C@](C)(O)CC[C@@H]2[C@](C)(CO)CCC[C@@]12C 2356478565 IYSBWLRXTOIYFZ-MEBIHWHUSA-N 338.488 3.764 0 1 EHAF C[C@]12C[C@H](CO)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 2356635675 GGRVPLDBVRRQSR-PTKJPGLGSA-N 334.500 3.568 0 1 EHAF CCSc1nnc2nc3c(c(O)n12)[C@](C)(CC)Cc1ccccc1-3 1250344 BMOYZASVYHTOOS-GOSISDBHSA-N 340.452 3.833 0 1 EHAF CC(=CCO)CC[C@]1(C)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)O)=CCC[C@@H]21 2356378349 GTOZGWPAQKVWLE-YTYFBAJQSA-N 336.472 3.540 0 1 EHAF CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)OC 103186407 SHDGCTPJOCMNSI-MCCLBDCCSA-N 344.238 3.711 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4OC[C@@]5(CC[C@@H](O)C=C45)[C@H]3CC[C@]12C 118932810 XHPCETFDAYEZPD-OAWQASHJSA-N 330.468 3.504 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C=C(C)[C@]2(O)C[C@H](C(C)C)CC[C@@]2(C)C1=O 2356471650 UNKODKJXJLZFHB-YAJHFMINSA-N 334.456 3.587 0 1 EHAF Cc1ccc2oc(=O)c(C(=O)Nc3cnc4ccccc4c3)cc2c1 40827710 VZCIAGCETBUMJW-UHFFFAOYSA-N 330.343 3.902 0 1 EHAF FC1(F)CCN[C@@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 49832280 BCASBMRZFILCPE-MSOLQXFVSA-N 345.389 3.690 0 1 EHAF COC(=O)c1ccc(OCc2c(-c3cccc(F)c3)noc2C)nc1 141963806 WQAMIFCCIVJVGY-UHFFFAOYSA-N 342.326 3.550 0 1 EHAF CCN(CC)C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 253850981 HVKNYGIHMRFIPC-XDNAFOTISA-N 334.891 3.775 0 1 EHAF CC(=O)[C@H]1[C@@H](O)C[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255227060 LNEQZQKOSDQBNG-LQOGWUMHSA-N 332.484 3.774 0 1 EHAF O=C(O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587077754 ZLPNPLQGCSMSMP-HNNXBMFYSA-N 341.754 3.532 0 1 EHAF COc1ccc(C)cc1NCCCc1nc2cccc(C(=O)O)c2[nH]1 587229570 YYFRDSSTHFNORM-UHFFFAOYSA-N 339.395 3.623 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3C[C@H]1CCC3=O)CC2=O 587487142 ZLBZXPVTQKQUNC-VFGMZZLHSA-N 328.408 3.828 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4cccc(C)c4)c1)[C@@H](C2)C3=O 587430880 HUQNNBZGBPORHI-LAUBAEHRSA-N 346.386 3.678 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCN(c3ccccc3)C1)CC2=O 587476047 OGUQMPNGNOJTGB-NRFANRHFSA-N 337.419 3.959 0 1 EHAF CC(C)COc1cc2nc([C@@H]3O[C@H]3C)[nH]c2cc1Br 586918899 SJJWYCFYOLHEIH-ISVAXAHUSA-N 325.206 3.820 0 1 EHAF CCOC(=O)c1coc([C@H]2NCCc3cc(-c4ccccc4)ccc32)n1 962673018 ZHUOWGLCGJWFIZ-IBGZPJMESA-N 348.402 3.753 0 1 EHAF O=C(Nc1ccccc1)Nc1nc(N2CCCC2)nc2ccccc12 13672126 LKWPRFRRSKUORS-UHFFFAOYSA-N 333.395 3.874 0 1 EHAF CCCN(c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1 169309720 XOXJIEKJPCRVNF-UHFFFAOYSA-N 347.411 3.975 0 1 EHAF O=C(Nc1ccc(N2CCCC2)cc1)n1sc2ccccc2c1=O 169311127 SNLVEJIDDKHLCP-UHFFFAOYSA-N 339.420 3.743 0 1 EHAF CCC[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1 1857549442 GQEYKQFUTAQUQO-INIZCTEOSA-N 342.464 3.858 0 1 EHAF COc1ccc(CC[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1 3593731 XJCUCQVCCYYMEI-SFHVURJKSA-N 327.424 3.532 0 1 EHAF CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC[C@@]5(CC[C@@H](O)C=C45)[C@H]3CC[C@]12C 3990787 XHPCETFDAYEZPD-RDQRPRHJSA-N 330.468 3.504 0 1 EHAF C[C@H]1CN(C[C@@H](O)c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 13833024 UJTGLABUUULACG-ZLGUVYLKSA-N 325.452 3.725 0 1 EHAF CCO[C@@H](Cc1ccc(OC/C=C/c2ccccc2)cc1)C(=O)O 28127637 XPIWMJMYFHUGRW-AIADIJKESA-N 326.392 3.811 0 1 EHAF COc1cc(C(=O)c2sc3ccccc3c2N)cc(OC)c1OC 28469512 FXEBQYJUWASDMF-UHFFFAOYSA-N 343.404 3.740 0 1 EHAF c1ccc(Oc2ccc(-c3cc(CN4CCOCC4)[nH]n3)cc2)cc1 28869234 VYVNAJNUWNGZOF-UHFFFAOYSA-N 335.407 3.701 0 1 EHAF CN(C)C[C@@H](O)[C@H](c1ccccc1)c1cccc(Br)c1 39245475 HXGZIOIAGCFPNS-IAGOWNOFSA-N 334.257 3.504 0 1 EHAF Cc1cccc(CN2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 39447589 SBYATQAJNVMQNO-JOCHJYFZSA-N 335.495 3.878 0 1 EHAF CC(=O)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(N(C)C)cc1 43120640 UCNYIBSFWQZGQT-UHFFFAOYSA-N 348.406 3.541 0 1 EHAF COc1cc(C(=O)c2cc3cc(C)ccc3o2)cc(OC)c1OC 45348141 KHQLMELGCGGGIM-UHFFFAOYSA-N 326.348 3.998 0 1 EHAF Cc1csc(Cn2c([C@H]3CCCN(C)C3)nc3ccccc32)n1 49110295 NBMXJNMUHLTYPM-AWEZNQCLSA-N 326.469 3.659 0 1 EHAF Cc1cccc(-c2nc(N)nc3c2CN(C(=O)C2CCCC2)[C@@H]3C)c1 67433944 PPRWPQWKWLGWHO-CYBMUJFWSA-N 336.439 3.628 0 1 EHAF C[C@@H](CCC[C@@H](C)CO)[C@@H]1CC[C@@H](C)[C@]12CC=C(C(=O)O)[C@H](O)C2 85640926 WPEHANBMYIXAGR-XLNVAJBGSA-N 338.488 3.619 0 1 EHAF C[C@@H](Nc1nc(-c2cccc(C(=O)O)c2)cnc1N)C1CCCCC1 96284808 AFFMWKAYXLJTRP-GFCCVEGCSA-N 340.427 3.805 0 1 EHAF COc1nc2cccnc2n1-c1ccc(Nc2ccc(C)cn2)cc1 98208191 ZAIBUTICQXDSIC-UHFFFAOYSA-N 331.379 3.876 0 1 EHAF in-vitro CCCCCN1C(=O)[C@@]2(COc3cc(OC)ccc32)c2ccccc21 103191003 JEILWWWNOFYNRQ-NRFANRHFSA-N 337.419 3.911 0 1 EHAF CC(=O)Nc1cccc(OCc2cc(=O)oc3ccc(Cl)cc23)c1 103201528 LUVJKZCHPFSFTE-UHFFFAOYSA-N 343.766 3.984 0 1 EHAF CC(C)[C@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl 103277659 MPNVWWBCRLOSON-QMMMGPOBSA-N 348.177 3.715 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3cc(O)ccc3CC[C@H]21 117625284 DQDGTZBSHYYYNX-OXJNMPFZSA-N 347.418 3.603 0 1 EHAF COc1ccccc1N1C(=O)[C@H]2[C@H]3C[C@@H](C[C@@H]3c3ccccc3)[C@H]2C1=O 195452664 DFGBJOCJIRNYHE-WVPQZDDBSA-N 347.414 3.624 0 1 EHAF Cn1c2c(c3ccccc31)C[C@H]1c3cc4c(cc3CCN1C2)OCO4 209381283 PSSDQZMRAAKBRL-SFHVURJKSA-N 332.403 3.563 0 1 EHAF COC(=O)/C=C/c1cc2c(c(/C=C/C(C)(C)O)c1)OC(C)(C)C=C2 238730715 IXPZMJNSDMFPNB-LQPGMRSMSA-N 328.408 3.841 0 1 EHAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H](C)C(=O)[C@@H](O)C[C@H]12)CC(=O)O 238767796 VIKGNLDIWKTBAU-SHBKNEMZSA-N 338.488 3.906 0 1 EHAF CCOC(=O)Cc1cc(O)cc2c1C(=O)CCCCC[C@H](CC)O2 238784551 REFVLKFVPGVWOF-HNNXBMFYSA-N 334.412 3.802 0 1 EHAF CC(C)CCOc1cc2nc(C[C@H](C)O)[nH]c2cc1Br 586889854 LSWDSVIQXHLJAC-JTQLQIEISA-N 341.249 3.674 0 1 EHAF COc1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)c(C(F)(F)F)c1 587098062 QLJBWTGLBLTLDS-UHFFFAOYSA-N 336.269 3.986 0 1 EHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCO3 587113078 JSFPMKUXBZWQFY-NSHDSACASA-N 349.312 3.553 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](Cc1ccccc1OC)CC2=O 587476792 GBQCGWWHCSIBET-AWEZNQCLSA-N 326.392 3.930 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2ccc(OC)cc2C1 587476954 GWXAEDYENZUZSM-NRFANRHFSA-N 338.403 3.856 0 1 EHAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)ccc12 587508242 OTKXLWKBCXPDQV-FQEVSTJZSA-N 337.350 3.517 0 1 EHAF O=C1C[C@H](c2cnn(-c3ccccc3)n2)Oc2c1ccc1c2CCCC1 587513516 BDFRQBWWCSRYAM-HXUWFJFHSA-N 345.402 3.853 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCC2=O)N1 587822680 LXNLSIKPTGECTQ-RBIVETJNSA-N 340.236 3.707 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnc3cc(C)nn3c2)N1 962945670 JOYSDPFSYPAINV-KUHUBIRLSA-N 331.423 3.533 0 1 EHAF CCc1ccc([C@]2(c3ccc(N)cc3)NCCc3c(C)ccnc32)o1 963071888 LZHFHFUQIHVGMC-NRFANRHFSA-N 333.435 3.565 0 1 EHAF COc1ccccc1CNC[C@H]1C[C@@]1(F)c1cc(F)ccc1OC 1857593598 QXPPIWPCEYSJBX-KUHUBIRLSA-N 333.378 3.817 0 1 EHAF Cc1ccc2nc(CO[C@H]3CN(Cc4ccccc4)C[C@@H]3F)[nH]c2c1 2356299969 RHBKNBUEWYUFJY-LPHOPBHVSA-N 339.414 3.610 0 1 EHAF COc1cc2c(c(OC(C)=O)c1Cl)C(=O)C[C@H](c1ccccc1)O2 2356706533 JQTYWGDJQDKBTJ-CYBMUJFWSA-N 346.766 3.980 0 1 EHAF Oc1ccc(C[C@@H]2CNCCN2CCCCC2CCCCC2)cc1 61711168 NKLGHVMBNHXNNG-HXUWFJFHSA-N 330.516 3.959 0 3 EHAF CCOc1ccc([C@H]2C[C@H](c3ccc(C)c(C)c3)Nc3nnnn32)cc1 2919603 SDPAEQSWGPJHMW-RTBURBONSA-N 349.438 3.835 0 1 EHAF Cn1c(=O)c(-c2cccs2)cc2cnc(Nc3ccccc3)nc21 3832268 PUVJHDNOWHKNSB-UHFFFAOYSA-N 334.404 3.801 0 1 EHAF Cc1ccc(NC(=O)CN2C(=O)C[C@H](C)Sc3ccccc32)cc1 5052150 QRWZMAFFQAVVMR-AWEZNQCLSA-N 340.448 3.851 0 1 EHAF O=C1NC2(CCCCC2)N(C(=O)c2cccs2)C2=C1CCCC2 6810807 YTQYTGDXOVQYAD-UHFFFAOYSA-N 330.453 3.809 0 1 EHAF C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H](CO)CCO 13402877 BIRYTQFFNQPJBQ-UPSZCFJUSA-N 338.488 3.621 0 1 EHAF in-vitro COc1ccc(C2=NN([P@](=O)(OC)c3ccccc3)CCC2)cc1 13557121 NFDYXFOUMDIUDR-XMMPIXPASA-N 344.351 3.660 0 1 EHAF Cc1c(C(=O)c2ccccc2F)c2ccccc2n1[C@H](C)C(=O)O 13820966 BPLNPUXDRADAHE-GFCCVEGCSA-N 325.339 3.965 0 1 EHAF Oc1c2cnc3c(c2nn1-c1ccc(OC2CCC2)cc1)CCCC3 27088198 KYKSBUKRCPZJCX-UHFFFAOYSA-N 335.407 3.936 0 1 EHAF CCCc1ccc(C(=O)c2c(SC)cc(CC(=O)O)n2C)cc1 28227708 LIAIQHNKRXJLKO-UHFFFAOYSA-N 331.437 3.558 0 1 EHAF COC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cccc(O)c1 28522686 WBRLLGZJHHRNMD-MRXNPFEDSA-N 330.771 3.963 0 1 EHAF FCCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1 29133532 JTLPJEXKDFZLAY-HKUYNNGSSA-N 347.455 3.857 0 1 EHAF CC(C)C[C@H]1CC[C@@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 34319174 DEIIFEDOBNMWDY-AOIWGVFYSA-N 347.890 3.978 0 1 EHAF c1ccc2c(Cc3nc4c(N5CCNCC5)cccc4[nH]3)cccc2c1 45288507 QGBIJZJXSDKKSW-UHFFFAOYSA-N 342.446 3.717 0 1 EHAF C=Cc1cccc2c1N(C)Cc1cc(OC(C)=O)c(OC(C)=O)cc1-2 53243240 XQTYLVSTNWIRQF-UHFFFAOYSA-N 337.375 3.797 0 1 EHAF COc1ccccc1CNC(=O)c1c(-c2ccccc2)ccnc1C 71319157 AIMLIDLBBITSHB-UHFFFAOYSA-N 332.403 3.996 0 1 EHAF CCCCCNc1ncnc2c1nc(CC(C)C)n2C[C@@H]1CCCO1 82222738 MRXRFJLCCMFKPN-HNNXBMFYSA-N 345.491 3.806 0 1 EHAF CC(=O)N[C@@H](C)COc1ccc(Oc2ccc(OC(C)C)cn2)cc1 96167491 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PHODYBGPWZAGFH-MGPLVRAMSA-N 340.236 3.851 0 1 EHAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 587931861 UHNHRRJFRFPQDJ-ORAYPTAESA-N 340.354 3.854 0 1 EHAF CC(C)OC1CC2(C1)c1ccsc1CCN2Cc1cccn1C 962376126 SYBQOXWQTGUORM-UHFFFAOYSA-N 330.497 3.928 0 1 EHAF COc1ccc2c(c1OC)[C@@H](c1c[nH]c3ccncc13)N(C)[C@@H](C)C2 962645608 ZZVWGYAPIITLMM-HXPMCKFVSA-N 337.423 3.546 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(CN(Cc3ccccc3)C2)N1 962949608 PZBSPYYQAZLUFS-QGZVFWFLSA-N 331.463 3.803 0 1 EHAF FC(F)(F)Oc1ccc(-c2noc(-c3n[nH]cc3Cl)n2)cc1 1212660078 DJBRDVOCUSYYNP-UHFFFAOYSA-N 330.653 3.679 0 1 EHAF Oc1ccc(CNc2cc(Br)cc3[nH]ncc23)c(F)c1 1857610605 MEGNQJJAZQROCK-UHFFFAOYSA-N 336.164 3.782 0 1 EHAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CNC(=O)O1 1857750427 ASZXQUWKTXXHDS-VTHHFZKPSA-N 347.499 3.869 0 1 EHAF CCCNS(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)cc1 1911585986 HOYXILOMHMDTBA-UHFFFAOYSA-N 343.807 3.960 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@@H]([C@@]32C)[C@]1(C)CCC1=CC(=O)OC1 2356408285 ZZYXIZIKWYOQPA-KQFONWOYSA-N 330.424 3.564 0 1 EHAF O=C(O)CCCC=C1C[C@@H]2C[C@H](O)[C@H](C=C[C@@H](O)C3CCCC3)[C@@H]2C1 2356499442 DKLGLHQHLFISGJ-WAPOTWQKSA-N 348.483 3.682 0 1 EHAF CC(C)=C[C@H](O)CC(C)=CCOc1cc2oc(=O)ccc2cc1O 2356579142 RAMCPIBPYJZTNE-HNNXBMFYSA-N 330.380 3.541 0 1 EHAF c1cncc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)c1 4921813 DFGCDCBKYFONFC-UHFFFAOYSA-N 344.374 3.911 0 3 EHAF Cc1cc(Cl)c2oc(C(=O)N[C@H](C)c3ccncn3)c(C)c2c1 11996909 HYJUQCQHBVDAIJ-LLVKDONJSA-N 329.787 3.984 0 3 EHAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)Nc3c(C)cccc3C)C[C@@H]12 74378286 CMBRBMRAWOSLOH-QZTJIDSGSA-N 349.434 3.879 0 3 EHAF CC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccc(C(C)=O)cc1 8300092 YWXKSFFRGPKTAN-QILLFSRXSA-N 330.428 3.558 0 1 EHAF biogenic Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC1CCOCC1 11768448 ASNXQONHLGRAKS-SFHVURJKSA-N 339.483 3.963 0 1 EHAF CN1Cc2cc3c(cc2-c2ccc4cc5c(cc4c21)OCO5)OCO3 13458937 GBHVLPBOPPJAHB-UHFFFAOYSA-N 333.343 3.914 0 1 EHAF biogenic Cc1ccc(-c2cc(NC[C@H](O)CO)c3ccccc3n2)cc1Cl 13818403 GFAATVVLPKGLSN-AWEZNQCLSA-N 342.826 3.629 0 1 EHAF c1ccc2c(c1)Oc1ncccc1[C@H]2SCCCN1CCOCC1 25967683 JISHCRWFZCBGMN-SFHVURJKSA-N 342.464 3.732 0 1 EHAF c1ccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)cc1 26501076 VFBPPABIDTWTQC-UHFFFAOYSA-N 336.479 3.766 0 1 EHAF CC(C)=CCC/C(C)=C/CNCCNC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 45245863 IZPXQAAGSHQWQM-PZWJARPCSA-N 346.559 3.798 0 1 EHAF O=C(NCc1ccncc1)c1ccccc1-c1nc(Cl)cs1 49037622 URWOJYZHNHOMTJ-UHFFFAOYSA-N 329.812 3.789 0 1 EHAF COc1cccc(Oc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1 66111622 AGUAUTLGGPRVJG-UHFFFAOYSA-N 348.358 3.839 0 1 EHAF COC(=O)C(=O)[C@H]1c2ccccc2N2C=Cc3c([nH]c4ccccc34)[C@H]12 82047415 WXVOLCRPHBGZEC-HKUYNNGSSA-N 344.370 3.539 0 1 EHAF O=C(Cc1nc2ccccc2s1)c1cc(Oc2cncnc2)ccn1 96178195 NSDNLGACOGAEPI-UHFFFAOYSA-N 348.387 3.699 0 1 EHAF COC(=O)CC[C@H](C)N[C@@]1(c2ccccc2Cl)CCCCC1=O 96911362 DXFKXPYVXFWPHN-SCLBCKFNSA-N 337.847 3.610 0 1 EHAF COc1ccc2[nH]c3c(c2c1)[C@@]1(c2cccc(O)c2)CCN(C)[C@H](C3)C1 195107567 QRSAMOUGQMIXEX-QRQCRPRQSA-N 348.446 3.819 0 1 EHAF COc1cc2c(Cc3ccc(OC)c(OC)c3)cncc2cc1O 196734177 QOMKTLOMWTVQDX-UHFFFAOYSA-N 325.364 3.557 0 1 EHAF Oc1cccc(CCCCc2nc3cc4c(cc3[nH]2)OCCCO4)c1 586896219 LVTSNMCHBBBUEM-UHFFFAOYSA-N 338.407 3.995 0 1 EHAF FC(F)(F)C(F)(F)c1cc2nc(C3CC4(COC4)C3)[nH]c2cn1 586917994 VQXHVHOJTQVJDL-UHFFFAOYSA-N 333.260 3.506 0 1 EHAF COC(=O)c1ccc2[nH]c(-c3nc4ccc(OC)cc4s3)nc2c1 587035488 QQIWZSSBCXIFPQ-UHFFFAOYSA-N 339.376 3.635 0 1 EHAF N[C@H](N=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587036838 NWGWLUVYORQHGN-ZIAGYGMSSA-N 330.438 3.727 0 1 EHAF COC(=O)[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587108232 ZZTMMUUFBRUZNA-GFCCVEGCSA-N 343.382 3.724 0 1 EHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(F)cnc(Cl)c2[nH]1 587174213 GKPCUUQYVSAUAJ-NSHDSACASA-N 347.756 3.613 0 1 EHAF CC(C)[C@H](N)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339755 USBSOSHOBXTEGZ-IHPCNDPISA-N 343.398 3.632 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cnn(C)c3)cc1)O2 587391218 LOYXRKMODWJKHE-IBGZPJMESA-N 333.391 3.684 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H](c4cccnc4)C1)[C@@H](C2)C3=O 587436177 MVYJHENCQRBLTB-IBNJYYFUSA-N 335.403 3.934 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1[nH]c4ccc(OC)cc4c1C)[C@@H](C2)C3=O 587439866 XMTUGRNPXYQUPI-YCRPNKLZSA-N 349.386 3.982 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cscn2)N1 587857270 ZHSUMSXDMPCQPR-RTHLEPHNSA-N 341.249 3.842 0 1 EHAF COc1ccc(Cl)c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)n1 587873841 KIMIIZHUDCYPBN-UHFFFAOYSA-N 345.717 3.540 0 1 EHAF Cc1cccc(C2CC3(C2)NCCc2ccc(C(=O)N(C)C)cc23)c1 962934126 UUVCEOKSDZAJKQ-UHFFFAOYSA-N 334.463 3.615 0 1 EHAF CC(C)[C@]1(c2cccs2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963031903 RSKUIDNWQOSBOT-DJJJIMSYSA-N 326.465 3.701 0 1 EHAF CC(C)(C)OC(=O)N1CC2(C1)CC1(C2)NCCc2cccc(Cl)c21 963392007 XEQARWZNJAHWAP-UHFFFAOYSA-N 348.874 3.712 0 1 EHAF Cc1cccc(-c2ccc(N[C@H]3CC[C@H](O)CC3)c(C(N)=O)c2)c1C 1857632668 OQIVOSTZKRBSOD-QAQDUYKDSA-N 338.451 3.785 0 1 EHAF COc1cc(O)c2c(c1)CC(=O)CCCCC=CC[C@@H](C)OC2=O 1857742339 WPFPHTQEYJIBCM-CYBMUJFWSA-N 332.396 3.578 0 1 EHAF COc1cc(-c2ccc3c(c2)/C(=C/c2ccc[nH]2)C(=O)N3)ccc1O 14956229 RQULZLKLYUHJGM-WJDWOHSUSA-N 332.359 3.889 0 1 EHAF CCOC(=O)[C@@H](Cc1ccccc1)Nc1nc2ccccc2s1 28004159 TZGLWBSBLMFISJ-OAHLLOKOSA-N 326.421 3.883 0 1 EHAF CCCCc1c(C)nc2nc(NCc3ccc(CC)cc3)nn2c1O 35562356 ZMRIRDQRERJSQB-UHFFFAOYSA-N 339.443 3.655 0 1 EHAF CN(c1ccc(C(F)(F)F)cc1)c1nc(=O)c2cccnc2s1 147806614 NORXVEJISSNPSL-UHFFFAOYSA-N 337.326 3.838 0 1 EHAF CCNc1n[nH]c2c(C)c(NC(=O)N[C@H](C)c3ccccc3)ncc12 210709540 LDFVZNNFECAWBV-GFCCVEGCSA-N 338.415 3.581 0 1 EHAF CC(C)C[C@@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 213625170 IZYVAELZXCDWDD-CHWSQXEVSA-N 336.237 3.852 0 1 EHAF CNS(=O)(=O)c1cc(C(C)C)c(Br)cc1C(C)C 221335516 MTNHLZLVIFHJQH-UHFFFAOYSA-N 334.279 3.604 0 1 EHAF COc1cc(O)c2c(c1)C=CCCC[C@H](O)CCC[C@H](C)OC2=O 253666406 JVYBAZCPWDLGCX-ZFWWWQNUSA-N 334.412 3.674 0 1 EHAF COc1ccc([C@@](C)(O)c2nc(SC)nc3ccccc23)cc1 299870275 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COc1cccc(C2(c3nc4ccc(C(N)=O)cc4[nH]3)CCCC2)c1 587932591 GZWHURRLCJNYMV-UHFFFAOYSA-N 335.407 3.531 0 1 EHAF COc1ccc2c(c1)[C@H](c1cc(CC(C)C)[nH]n1)N(C(C)C)CC2 962095742 ZWZMENIJEDENEQ-HXUWFJFHSA-N 327.472 3.973 0 1 EHAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cccc(-c3ccco3)c1)NCC2 962932455 PMWOJBGZGUGJEM-OAQYLSRUSA-N 346.430 3.884 0 1 EHAF Cc1[nH]c2c([C@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)cccc2c1C 963023497 JUXXLICTTIKHLG-SZNDQCEHSA-N 345.446 3.927 0 1 EHAF CCC[C@H](O)[C@]1(CCC)NCCc2cc3cccc(OC)c3nc21 963062136 ZXMVXULKZLOUPV-PXNSSMCTSA-N 328.456 3.546 0 1 EHAF C[C@@]1(O)C[C@H](C2=CC=CC=CC=C2)c2c(c3ccccc3oc2=O)O1 1857621398 LMJHSJCEICXGOL-IERDGZPVSA-N 334.371 3.976 0 1 EHAF CC1(C)C(=O)[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2[C@H](O)C[C@H]1C3 2356566485 JCSHAZPWEHTAMT-BTTQDAIKSA-N 348.483 3.660 0 1 EHAF CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]1C 2467462 XSTZSCYENOCESX-MJSCVDMRSA-N 328.456 3.677 0 1 EHAF CC(=O)OCC[C@H]1c2ccccc2-n2nc(-c3ccccc3)c(O)c21 5664032 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CCS(=O)(=O)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586887684 HEURNGFYPNBSGI-NGOJXBLDSA-N 344.480 3.824 0 1 EHAF Cc1c(Br)cnc2[nH]c(C3(c4ccccc4O)CC3)nc12 586897097 QURVRUPEALAOLX-UHFFFAOYSA-N 344.212 3.814 0 1 EHAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(C)cc(C)c2[nH]1)C(C)C 586933691 WJUGQGGFZFRPAZ-OAHLLOKOSA-N 337.489 3.596 0 1 EHAF Cc1c(Br)ccc2nc(CSC(C)(C)C(=O)O)[nH]c12 586958008 CJWRLOQQICBUBN-UHFFFAOYSA-N 343.246 3.730 0 1 EHAF Cc1cc(Cc2nc3ccc(CCO)cc3[nH]2)ccc1Br 586977165 OERDIVRQTGASBN-UHFFFAOYSA-N 345.240 3.759 0 1 EHAF Clc1cnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587041669 ORCCMNZPNATOKH-KGLIPLIRSA-N 330.844 3.558 0 1 EHAF O[C@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccccc1Cl 587059996 XKGZEXMTLCUUGV-JTQLQIEISA-N 328.586 4.000 0 1 EHAF Nc1ncnc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc12 587163817 LGZRQOGEOBWYLM-WQLSENKSSA-N 337.383 3.725 0 1 EHAF Cc1cnc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 587224406 SFRQZNBRQUACEH-GOSISDBHSA-N 342.402 3.786 0 1 EHAF 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3.573 0 1 EHAF CCN(CC)CCCNC(=O)c1cc2cc3ccc(C)cc3nc2o1 6730549 GSXNZLAKHXUXKD-UHFFFAOYSA-N 339.439 3.751 0 1 EHAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1ccccc1Cl 19229081 WUMPEIDNOOALAD-WSTOHFRZSA-N 335.787 3.761 0 1 EHAF CCCOc1ccccc1[C@@]1(O)OC(=O)c2cccc3cccc1c23 26253981 FZSUSXIIKBESPF-OAQYLSRUSA-N 334.371 3.992 0 1 EHAF O=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccccc2Cl)s1 28521321 DBQAISAIFZUCHJ-HNNXBMFYSA-N 346.883 3.893 0 1 EHAF COC(=O)c1cc2c3cc(C)cnc3n(C)c2c(Cc2ccccc2)n1 28867844 QRFZNWRSZWLUGH-UHFFFAOYSA-N 345.402 3.807 0 1 EHAF Cc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@H](C)CNC4=O)c1 28902003 QGYLEPKDMPMBPQ-GFCCVEGCSA-N 333.391 3.576 0 1 EHAF O=C1Nc2ccc(Br)cc2[C@@]12C[C@H]2COc1ccccc1 34817234 PDEPHVGNADLLMU-GTNSWQLSSA-N 344.208 3.738 0 1 EHAF COc1ccccc1[C@H](O)c1nnc(Nc2c(C)cccc2C)s1 82078472 NZKDZLQSRXBRJM-INIZCTEOSA-N 341.436 3.989 0 1 EHAF Cc1cccc(-c2noc(C3CN(C(=O)[C@H]4CCC[C@@H](C)C4)C3)n2)c1 95574241 MFVPSSXAOAFJQR-ZBFHGGJFSA-N 339.439 3.797 0 1 EHAF O=C(O)[C@@H](c1ccccc1C(F)(F)F)N1CCc2ccccc2C1 103268937 CFBUKMNZOCMAHS-MRXNPFEDSA-N 335.325 3.889 0 1 EHAF COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169324879 IVJOAORQVUYFDW-BWZSQLOISA-N 347.499 3.639 0 1 EHAF O[C@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(F)cccc12 169334862 HIEUEHJJXOAYPV-QMTHXVAHSA-N 342.336 3.958 0 1 EHAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(C)c(Cl)c1 253848663 AVKXQSPVMFIMNB-PQVUHNKDSA-N 331.843 3.688 0 1 EHAF COc1cc(CCCC/C=C/C(=O)N2CCCCC2)cc(OC)c1O 299822236 HWEATWVOGPAMEO-YRNVUSSQSA-N 347.455 3.691 0 1 EHAF CC1=C(c2ccc3nc(/C=C/c4ccsc4)[nH]c3c2)NNC(=O)C1 587025826 OIRYRXGIWYOBMZ-GORDUTHDSA-N 336.420 3.550 0 1 EHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587163551 MJJBPYBFZFZSQP-GOSISDBHSA-N 341.386 3.514 0 1 EHAF Fc1ccc(-c2cnn(Cc3nc4cc(Cl)cnc4[nH]3)c2)cc1 587165346 RQNNYOKCKIGBQU-UHFFFAOYSA-N 327.750 3.662 0 1 EHAF COCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398192 CQHJTGKVHRVLRF-LJQANCHMSA-N 341.407 3.699 0 1 EHAF C[C@@]1(c2cnc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587499024 KIVRFPXWZZQBCL-SFHVURJKSA-N 328.799 3.889 0 1 EHAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1OC 587518613 MHXHSGDAVCOLIR-SFHVURJKSA-N 339.391 3.684 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccncc2)N1 587776449 CUPHMRYPPXRRFD-DIFFPNOSSA-N 349.247 3.975 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC(=O)C2)N1 587818950 SYFMRDSXVOGYKP-QFYYESIMSA-N 340.236 3.851 0 1 EHAF Cc1nscc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587858779 UFOFHXTYLJPFIU-NXSYQRQQSA-N 341.249 3.977 0 1 EHAF C[C@@H](c1ccc2nc(O)sc2c1)c1ccn(-c2ccc(F)cn2)n1 653878855 YCRPNLDDGLKLJG-JTQLQIEISA-N 340.383 3.874 0 1 EHAF Cn1ncc([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c1C(F)(F)F 963114529 UPUMQGWRMIKHAC-IUODEOHRSA-N 339.336 3.688 0 1 EHAF N=C(N)c1ccc2cc(-c3ccc(-c4ccc(C(=N)N)s4)o3)[nH]c2c1 1857760154 IDZZPBSNWWHZPC-UHFFFAOYSA-N 349.419 3.725 0 1 EHAF COC(=O)Cc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12 16587 IIGRFELQRALMIB-UHFFFAOYSA-N 327.767 3.564 0 1 EHAF CCc1c(C)[nH]c(=O)c(NC(C)=O)c1Sc1cc(C)cc(C)c1 5886579 TWMZTGJRWGLGHC-UHFFFAOYSA-N 330.453 3.972 0 1 EHAF CC(C)[C@]1(C)OC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O 28824022 PMQDVLRNHJDGJS-BONVTDFDSA-N 328.334 3.684 0 1 EHAF CC1(C)C[C@H](NC(=S)Nc2cccnc2)c2cc(F)ccc2O1 45349573 OGOYKRYNXSISTM-AWEZNQCLSA-N 331.416 3.810 0 1 EHAF COc1cc2c(cc1N(C)C)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 48999488 NGERUYICTDGTQV-PVHGPHFFSA-N 329.484 3.978 0 1 EHAF O=C(NC(=S)NCc1ccc(C(F)(F)F)cc1)c1ccccc1 72125883 SWFBLLCOFSBTAP-UHFFFAOYSA-N 338.354 3.510 0 1 EHAF c1ccc(CN2CCC[C@@H](n3cnc4cnc5[nH]ccc5c43)C2)cc1 95580001 JKBCOYYDLUKZLA-MRXNPFEDSA-N 331.423 3.750 0 1 EHAF O=C(Nc1cc(Cl)ccn1)c1cc(F)cc(Oc2cncnc2)c1 96938943 WVEHLASNLHISFH-UHFFFAOYSA-N 344.733 3.709 0 1 EHAF S=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2cccc(Cl)c2)CC1 101650398 ISSFEBVKYUYWBG-CKEIUWERSA-N 349.931 3.525 0 1 EHAF COc1ccc2c(c1)C(C)(C)c1[nH]c3c(N)c(C#N)ccc3c1C2=O 114801450 NKWYQYPSZJUJJG-UHFFFAOYSA-N 331.375 3.501 0 1 EHAF CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)[C@H]2CCCC[C@H]21 144292164 NEJNZWMONLOGMV-MOPGFXCFSA-N 331.419 3.664 0 1 EHAF COc1cccc(CNC(=O)/C=C/c2c[nH]c3ccccc23)c1OC 169350809 VDWUDPBYRGRZBQ-ZHACJKMWSA-N 336.391 3.515 0 1 EHAF CCN(CC)CCS[C@@H](N=O)c1nc(Cc2ccccc2)no1 169713423 OHCDZUAEPDMQDQ-MRXNPFEDSA-N 334.445 3.500 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=CC2=CCC[C@H](C)[C@]21C 238736721 IUILTPPQAYRTKI-VCVVZTQCSA-N 328.408 3.998 0 1 EHAF C[C@H](Cn1nc(-c2ccccc2)c2c(N)ncnc21)c1ccccc1 473135731 JVTLSVQZXZPLOZ-CQSZACIVSA-N 329.407 3.879 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CSCCc4ccccc41)[C@@H](C2)C3=O 587450686 HIVBRBXKUMALPK-JXFKEZNVSA-N 338.428 3.627 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CC1(C(=O)O)CCC1)CC2=O 587492742 YJTUVIJPJIIAPV-SFHVURJKSA-N 332.396 3.714 0 1 EHAF O=C1C[C@@](c2ccccn2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 587525788 NVVPXPDTPXAOQT-OAQYLSRUSA-N 345.402 3.593 0 1 EHAF CC(=O)Nc1cccc(-c2[nH]c3c(C(=O)O)cccc3c2C(C)=O)c1 587637442 CUBUSORAQQMTSF-UHFFFAOYSA-N 336.347 3.694 0 1 EHAF COC(C)(C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796166 SIDUSHJGXOOLFB-VFZGTOFNSA-N 330.241 3.763 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc2c(=O)[nH]ccc2c1 587872537 ZSRFLODEELPBNK-UHFFFAOYSA-N 349.365 3.919 0 1 EHAF Cc1ccccc1C(C)(C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587955487 PUVBXZKUPNOINL-UHFFFAOYSA-N 328.437 3.601 0 1 EHAF CCCC/C=C/c1nc2cc(I)cnc2[nH]1 587966524 VPUBEDHGTYZNBY-AATRIKPKSA-N 327.169 3.766 0 1 EHAF FC(F)(F)C[C@@]1(c2ccccc2)NCCc2nc3ccccn3c21 962990715 SWIFABRZHTYQAO-KRWDZBQOSA-N 331.341 3.676 0 1 EHAF CCCNC(=S)NC[C@]1(C)CCc2ccc3ccc(OC)cc3c21 1857774400 VXVVYBFJBHSBRI-FQEVSTJZSA-N 342.508 3.926 0 1 EHAF C[C@@H]1C(=O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)[C@@H]4COCN4C5)[C@H]2CC[C@H]1C3 2356783501 LODXPMYUQBAQMQ-CGSGAWALSA-N 343.511 3.866 0 1 EHAF CCc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c2c1 4903862 JLDREURYNYUGAQ-UHFFFAOYSA-N 341.432 3.540 0 3 EHAF O=C(Nc1c(C(=O)N2CCCCCC2)oc2ccccc12)C1CC1 9265620 QHGZSNTYWHLZNQ-UHFFFAOYSA-N 326.396 3.798 0 1 EHAF COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 113651083 WANRGEOLLIFNBS-UHFFFAOYSA-N 336.376 3.500 0 1 EHAF Cc1c(Br)cccc1NC(=O)[C@@]1(C)CCN1C(C)C 61908863 MZOJMPMHQGDKEV-OAHLLOKOSA-N 325.250 3.569 0 3 EHAF COC(=O)c1ccc(Nc2c3ccccc3nc3c2c(C)nn3C)cc1 29037850 DQQVSJOEOCCRED-UHFFFAOYSA-N 346.390 3.960 0 1 EHAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@H]1c1ccccn1 26504729 UWJFTXWDHBHQIR-XMGGNUPJSA-N 344.411 3.529 0 1 EHAF CCCOc1ccc2nc(-c3cccc(OCCOC)c3)c(C)n2n1 38317753 MFNOCTLMALYQFN-UHFFFAOYSA-N 341.411 3.519 0 1 EHAF Fc1ccc(Cc2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)cc1 74385964 OMZWLDPCXJAQBL-UHFFFAOYSA-N 347.349 3.855 0 1 EHAF Cc1c(-c2ccccc2)c2c(c3c1[nH]c1ccc(O)cc13)C(=O)NC2=O 34804077 VSRJNUJBZJHPRT-UHFFFAOYSA-N 342.354 3.886 0 1 EHAF NC(=O)c1c(O)nc(SCc2ccccc2Cl)c2c1CCCC2 73168269 MOQXWUBCCUELGK-UHFFFAOYSA-N 348.855 3.711 0 1 EHAF CC(C)[C@@]1(c2cccc(-c3cccc(Cl)c3)c2)NC(=N)N(C)C1=O 84633424 VWORSAPPCITGHN-IBGZPJMESA-N 341.842 3.855 0 1 EHAF O=C(NCCc1ccc(Cl)cc1Cl)[C@@H]1CCc2ncsc21 220856474 ACUXUGDOXORIDX-LLVKDONJSA-N 341.263 3.839 0 1 EHAF O=C(NC(=O)c1ccccc1O)NC1c2ccccc2-c2ccccc21 43020326 CIXSOAMAZPDQPS-UHFFFAOYSA-N 344.370 3.602 0 1 EHAF CCOC(=O)c1sc2ccc(N)cc2c1NC(=O)c1ccccc1 299854551 ABJLRCBUJVJUST-UHFFFAOYSA-N 340.404 3.913 0 1 EHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)OC 587859502 XBOZVWJOGGGCML-VIFPVBQESA-N 343.210 3.931 0 1 EHAF Cc1[nH]c2cccc(F)c2c1[C@@H]1COCCN1C(=O)OC(C)(C)C 587637263 ZADUBAGJSIZDDR-AWEZNQCLSA-N 334.391 3.924 0 1 EHAF COC(=O)CCCC[C@@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401336 WGTOLRYXZIKRDD-BFUOFWGJSA-N 333.428 3.671 0 1 EHAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(CO)cc4)nc3c2)cc1N 586895742 WPZADKUPUAZANV-UHFFFAOYSA-N 330.391 3.554 0 1 EHAF Cc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587161137 KLHPEBAIXQCXCX-UHFFFAOYSA-N 341.777 3.971 0 1 EHAF C[C@@H](SCc1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 586961571 KEHORTYZIQFFDP-GFCCVEGCSA-N 336.424 3.533 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)O)cc1F)CC2=O 587465171 BKWDRWLCCRCEPR-QGZVFWFLSA-N 344.338 3.889 0 1 EHAF Nc1ccc(/C=C/c2nc3c(F)cnc(Br)c3[nH]2)cc1 587251408 GFQIMXQHXWUUFX-ZZXKWVIFSA-N 333.164 3.612 0 1 EHAF Cc1ccc(CSCCc2nc3ccc(CCO)cc3[nH]2)cc1 586971817 YELVZADDSKJBEE-UHFFFAOYSA-N 326.465 3.882 0 1 EHAF COC(=O)c1cccc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c12 587946981 PFJRNHBRMYSMQY-ZDUSSCGKSA-N 336.391 3.631 0 1 EHAF CCOC1CC([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 587813309 UMQBVNUVCOZSBB-FUDDIYPUSA-N 342.252 3.979 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCn3cccc32)[C@H]1c1ccc(F)cc1 587339960 RJEARERHASDINQ-FPOVZHCZSA-N 349.361 3.991 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1ccc(F)cc1)O2 587384526 LRSUJXCJITWXLK-GWQNQTGSSA-N 340.398 3.652 0 1 EHAF C[C@]1(Cc2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586645 KXKGDCPJBHILCW-WIYYLYMNSA-N 347.370 3.750 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)s1)([C@@H](C)O)O2 587410532 ONRGPOPPNVDVDW-ABKXIKBNSA-N 337.828 3.534 0 1 EHAF Cc1[nH]c2cc(Cl)c(F)cc2c1-n1c(=O)oc(=O)c2ccccc21 587632177 RKYRUTBOVWVLAE-UHFFFAOYSA-N 344.729 3.526 0 1 EHAF CC(C)c1nn(C)c2c1[C@H](c1cccn1Cc1cccs1)NCC2 962915264 HFHBHOZBBQECOY-IBGZPJMESA-N 340.496 3.690 0 1 EHAF C[C@@H]1[C@H](O)c2ccc(O)cc2CCN1CCCCc1ccccc1 204050890 XNHLARZPJOLYKL-IERDGZPVSA-N 325.452 3.695 0 1 EHAF CC(C)[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1 168450970 KNLOYUUHCARONP-OAHLLOKOSA-N 333.391 3.991 0 1 EHAF COc1ccc(Nc2cc(NC(=O)/C=C/c3ccccc3)ncn2)cc1 1857653387 XNQIUIFJNRTTPA-KPKJPENVSA-N 346.390 3.881 0 1 EHAF Cc1cccc(-c2noc([C@H]3CCCCN3C(=O)C3CCC3)n2)c1 324445 LGGQAFOBZFUFIL-MRXNPFEDSA-N 325.412 3.899 0 1 EHAF O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2CCc2ccccc21 2017823 DYANBEYXYZKCOS-OAQYLSRUSA-N 347.458 3.555 0 1 EHAF COc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C(C)=O)CC1 11495137 LDENPNCRFIDJLK-UHFFFAOYSA-N 348.446 3.633 0 1 EHAF CN(C)CC[C@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 13684712 PSPCYPPUHQRSMJ-SFHVURJKSA-N 330.859 3.692 0 1 EHAF COc1ccccc1N1CCN(CCCCc2ccc(F)cc2)CC1 13760896 OHHOLPBLYOJVEF-UHFFFAOYSA-N 342.458 3.979 0 1 EHAF CCCCc1ccc(N)c(C[S@@](=O)c2nc3ccccc3[nH]2)c1 28228409 ANOAFPUFXWPUDG-QHCPKHFHSA-N 327.453 3.796 0 1 EHAF CC(C)n1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 29566927 QSTDJKLFEANKRR-MQVJKMGUSA-N 325.456 3.577 0 1 EHAF CC(C)c1cc(CNc2nccc(Nc3cc(C4CC4)n[nH]3)n2)on1 35965673 YHLMCLCAANHRIL-UHFFFAOYSA-N 339.403 3.544 0 1 EHAF O=C(NCCc1ccc(Cl)cc1)c1ccc2cccnc2c1O 40584252 YMLLUHMVPHPECU-UHFFFAOYSA-N 326.783 3.566 0 1 EHAF Cc1c(O)cccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12 63539600 YRMXRRQDAYFXOL-UHFFFAOYSA-N 344.374 3.663 0 1 EHAF COc1cc2c(c(-c3ccc4c(c3)OCO4)c1OC)[C@@H](C)N(C)CC2 64491849 IXLKLUBARCZLGR-GFCCVEGCSA-N 341.407 3.648 0 1 EHAF Cc1oc(-c2cccnc2)cc1C(=O)Nc1nc2c(s1)CCC2 72178973 PACITIMNPZYPTE-UHFFFAOYSA-N 325.393 3.848 0 1 EHAF CCCCOc1cc(C(=O)NCc2cc(C(C)C)no2)ccc1OC 169304201 NMMPGHPSFIFPFH-UHFFFAOYSA-N 346.427 3.916 0 1 EHAF Cc1cc(Cl)ccc1-c1c(-c2cc(C(=O)O)ccn2)ncn1C 225952488 MVUYWQFICDCDEN-UHFFFAOYSA-N 327.771 3.809 0 1 EHAF COC(=O)C1=CC=C[C@H]2[C@@]1(CO)CC[C@H](C)[C@@]2(C)CCc1ccoc1 238772471 PJHGAHSSRFVDMB-FCXXMXSZSA-N 344.451 3.913 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@]4(C)[C@@H]3CC[C@@]12C 253991740 QMLITUVHFWKQTB-WQUGUCIPSA-N 347.499 3.829 0 1 EHAF CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3ncccc32)cc1 473107416 IVDDLPSTCYZUTO-MSOLQXFVSA-N 327.380 3.700 0 1 EHAF N=c1[nH]c(-c2cccc(-c3nc4c(Cl)ccnc4[nH]3)c2)cs1 587020651 CSPGZVFXSHFZDC-UHFFFAOYSA-N 327.800 3.814 0 1 EHAF COC(=O)[C@@H]1C=Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106796 LYBZMXOKARXCKQ-CQSZACIVSA-N 327.339 3.730 0 1 EHAF OCc1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136654 UPYDSYXBWMYUJV-UHFFFAOYSA-N 339.139 3.763 0 1 EHAF Cc1cc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2c(C)n1 587167800 FBGYNDFKYACNMJ-UHFFFAOYSA-N 348.385 3.839 0 1 EHAF CCOC(=O)CNc1ccc(-c2nc3cc(SC)ccc3[nH]2)cc1 587225718 RVZVKSNEYCFVPR-UHFFFAOYSA-N 341.436 3.927 0 1 EHAF C=CC(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587243345 CAKDFZXFWZWWCQ-UHFFFAOYSA-N 343.289 3.676 0 1 EHAF CO[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346179 HMELGGNEMDSURQ-BAXPTACRSA-N 330.355 3.684 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)O)cc1Cl)O2 587374067 FZDWOAPMAHZDJS-OAHLLOKOSA-N 331.755 3.635 0 1 EHAF COC(=O)c1ccc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587376270 RAPYEIQUHNJWDT-INIZCTEOSA-N 345.782 3.724 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(C(=O)O)c1)[C@@H](C2)C3=O 587418366 GXNUBQNSGOZLML-GUYCJALGSA-N 344.750 3.536 0 1 EHAF COc1cc2c3c(c1)O[C@@H](/C(=C/N(C)C)c1ccc(C)cc1)[C@@H](C2)C3=O 587429173 OIGAGMPIPVDZMK-DRFHNYDESA-N 349.430 3.722 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)OCCO3)CC2=O 587494076 WVLGDMNYOPRRKO-SFHVURJKSA-N 340.375 3.822 0 1 EHAF Cc1c([C@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C 587503429 HCPGNFDOEISENM-IBGZPJMESA-N 346.377 3.733 0 1 EHAF COC(=O)c1ccc2nc(COc3cc(C)cc(C)c3)[nH]c2c1OC 587564950 RBWJFABOKRJTDU-UHFFFAOYSA-N 340.379 3.554 0 1 EHAF C[C@]1([C@H]2CCCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587618249 STWJCYVULLWUPQ-WSXQUGQNSA-N 340.375 3.539 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2F)N1 587725161 BQPNUYDAEUNEEK-RTHLEPHNSA-N 339.183 3.746 0 1 EHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 587784425 GYJVFEQPRPCIOY-MNOVXSKESA-N 345.761 3.694 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3OCCC[C@H]32)N1 587842173 PNSUHWHHKNGOGY-JEGMJTAISA-N 340.236 3.517 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cl)nc1 587871508 XVFSCNZOPJXXQL-UHFFFAOYSA-N 345.761 3.825 0 1 EHAF COc1ccc(C[C@H](C)c2nc3cc(Cl)cnc3[nH]2)cc1OC 587927473 UYFQHMIUHZDYEC-JTQLQIEISA-N 331.803 3.975 0 1 EHAF O=c1c2ccsc2nc(SC[C@@H](O)c2ccccc2)n1C1CC1 653740745 TWVAGGZMUAPOSH-CQSZACIVSA-N 344.461 3.619 0 1 EHAF CC(C)n1ncc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc21 653851632 IJUZUIJUNJWLQQ-UHFFFAOYSA-N 327.413 3.598 0 1 EHAF Fc1cccc2c1[C@@](C1=COCC1)(C(F)(F)F)N1CCC[C@@H]1C2 963113320 QUSVBFHROSXHIX-CJNGLKHVSA-N 327.321 3.908 0 1 EHAF Cc1c(-c2ccc(-n3cccn3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772573941 SPCIEBLVGCXOEP-UHFFFAOYSA-N 337.329 3.967 0 1 EHAF O[C@H]1Cc2ccccc2C[C@@H]1N1[C@H]2CC[C@@H]1CC(c1ccccc1)C2 13766689 ZLZAFQPDXYRKBT-HVXWDBPDSA-N 333.475 3.925 0 1 EHAF CC(C)[C@]1([C@@H]2C(=O)CC[C@@H]3[C@@](C)(C=O)CCC[C@@]32C)CCC(=O)O1 15121821 QMBXKSMIBPTQGN-XLSIIYIISA-N 334.456 3.709 0 1 EHAF biogenic NC(=O)C(c1cccc(F)c1)(c1cccc(F)c1)c1cccc(F)c1 29135807 NYTZBODQYAXXMZ-UHFFFAOYSA-N 341.332 3.924 0 1 EHAF in-vivo CC(=O)Nc1nc(C)c(-c2csc(Nc3cccnc3)n2)s1 38342690 NUTDKFGHUBYHFK-UHFFFAOYSA-N 331.426 3.672 0 1 EHAF COc1ccc(CN2C(=O)C(=O)c3c(Cl)ccc(Cl)c32)cc1 40874936 IHAVQEKEHVETBJ-UHFFFAOYSA-N 336.174 3.732 0 1 EHAF CCN(C(=O)c1cc2cc(OC)ccc2o1)c1ccc(OC)nc1 49072813 ATBXVWAUNHCVGT-UHFFFAOYSA-N 326.352 3.512 0 1 EHAF O=C(NCc1ccccn1)[C@H]1CC2c3ccccc3C1c1ccccc12 66251012 LHGLKAYILWQCCQ-ORFBVSJDSA-N 340.426 3.995 0 1 EHAF CN(C)CCOc1ccc(COc2ccc([C@H](O)C3CC3)cc2)cc1 66258361 RKETXUMSLQSCRV-OAQYLSRUSA-N 341.451 3.649 0 1 EHAF O=C1N[C@H](c2ccc(OCc3ccccc3)cc2)Nc2ncccc21 473088696 JIPQXFWUONVUSA-GOSISDBHSA-N 331.375 3.515 0 1 EHAF Oc1c(-c2nc3ccnc(Br)c3[nH]2)ccc2c1CCCC2 586897339 BFOFINKQCWKXCV-UHFFFAOYSA-N 344.212 3.972 0 1 EHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)cccc3[nH]2)cc1 586939443 OWZINDHMRIWNTO-ZDUSSCGKSA-N 343.452 3.615 0 1 EHAF COc1cncc2nc(Cc3ccc(Br)c(C)c3)[nH]c12 586977821 SWCKTAJDLRSLSF-UHFFFAOYSA-N 332.201 3.628 0 1 EHAF Cc1c(Br)cnc2[nH]c(-c3cnc(Cl)s3)nc12 587022991 HKBVEGSUMMCGLK-UHFFFAOYSA-N 329.610 3.806 0 1 EHAF N=c1[nH]cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)nc-2[nH]1 587163371 IHLKJXKURNZUQL-WQLSENKSSA-N 337.383 3.507 0 1 EHAF CC(=O)Nc1cccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587242862 WBTMQQMTDBRMTC-UHFFFAOYSA-N 335.194 3.814 0 1 EHAF CCn1ncc([C@]2(C(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587391691 OFCHEUTWZXEIGJ-LJQANCHMSA-N 327.428 3.619 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)cnc1Cl)[C@@H](C2)C3=O 587420894 MQPQVAIPMHMFFF-KPZWWZAWSA-N 329.783 3.715 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)ccc1F)[C@@H](C2)C3=O 587425946 IPYZOJFYKUHXMP-LIRRHRJNSA-N 328.339 3.506 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(CCC)c1)CC2=O 587474999 JOIOHJMTDBVPGI-LJQANCHMSA-N 328.412 3.832 0 1 EHAF CC(C)C[C@]1(c2ncnn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587517858 WIUBMQVBXYKMAH-HXUWFJFHSA-N 339.439 3.601 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCn3cccc32)N1 587773369 QXKLUYKWLDTFCZ-HWPZZCPQSA-N 335.220 3.571 0 1 EHAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587952548 SXNAFBSCWJUCDR-QEORTHHSSA-N 340.431 3.585 0 1 EHAF CCCC(=O)C[C@@]1(C(=O)OCC)c2ccccc2C[C@@H](C)N1CCC 963241196 MKHUSCHKHAHJIH-IERDGZPVSA-N 345.483 3.861 0 1 EHAF Cc1cc(C)n2nc(-c3ccc4cc(-c5ccccc5)nn4c3)nc2n1 1857631501 BMXPIZGAKIRSLE-UHFFFAOYSA-N 340.390 3.723 0 1 EHAF CC=Cc1ccc(O[C@H](C)[C@@H](O)c2ccc(O)c(OC)c2)c(O)c1 2356651570 RXZPLAHSPWAGJM-CWTRNNRKSA-N 330.380 3.640 0 1 EHAF COc1ccc(-c2[nH]ncc2CN2CCCCCCC2)c(OC)c1 12317857 YNYGDSZDCABCGC-UHFFFAOYSA-N 329.444 3.860 0 3 EHAF CC(=O)c1cccc2c1O[C@@H](C)C(=O)N2Cc1ccc(Cl)cc1 61904772 OQDAVYUWUGKWLZ-LBPRGKRZSA-N 329.783 3.857 0 3 EHAF Cc1c(C(=O)NC[C@H](C)c2ccccc2)oc2c1-c1[nH]ncc1CC2 6748385 ZJYBPNQDGIPRSY-LBPRGKRZSA-N 335.407 3.610 0 1 EHAF C[C@H](CNc1ccc2[nH]ncc2c1)Oc1cccc2ccc(N)nc12 28390521 IRYAHSYMWMUCIZ-GFCCVEGCSA-N 333.395 3.573 0 1 EHAF CSc1cc(Cc2cnc(N)nc2N)cc2c1NC(C)(C)C=C2C 29569610 WYXYKJYNDKXGJN-UHFFFAOYSA-N 341.484 3.561 0 1 EHAF CO[C@H]1OC(=O)C=C1[C@@H](O)C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 35270859 XBAWZHGXCOFTIQ-FNEKEKTMSA-N 348.483 3.992 0 1 EHAF CC(C)(O)c1cc(O)c2c(c1)CC[C@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 36375266 QJCUMAOQTYWJKR-YSGRDPCXSA-N 332.440 3.715 0 1 EHAF O=C(O)c1ccc(/C=C/c2ccc3ccc(C(=O)O)c(O)c3n2)cc1 49781455 JCWFTAQHZHTPSM-FPYGCLRLSA-N 335.315 3.507 0 1 EHAF CC(C)(C)O[C@@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)CC1 73162131 YLSNLQYEIJEVLZ-CHWSQXEVSA-N 341.249 3.942 0 1 EHAF CCS(=O)(=O)c1ccc2oc(NC(C)(C)c3ccccc3)nc2c1 73294732 ZENOHQSNJFAVPD-UHFFFAOYSA-N 344.436 3.969 0 1 EHAF COc1ccc(CNc2cncc(Oc3ccccc3OC)n2)cc1 82094154 AKPXDRGMESEHPK-UHFFFAOYSA-N 337.379 3.898 0 1 EHAF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2c(c1)OCO2 95588136 VADRURNWPYMJLW-INIZCTEOSA-N 342.782 3.766 0 1 EHAF CC(C)Cc1ccc(CN2CC[C@@H](NC(=O)c3ccccc3)C2)cc1 95783757 FPMSLCWOSGEHOG-OAQYLSRUSA-N 336.479 3.889 0 1 EHAF CCC(=O)N(C(=O)CC)c1nc2c(s1)CCCc1ccccc1-2 96905941 NFSXITDAYBZYEA-UHFFFAOYSA-N 328.437 3.978 0 1 EHAF c1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5cccnc5)C[C@@H]3N4)cc2)cc1 100107482 STHQMOCAQWUPTN-JKHIJQBDSA-N 341.458 3.688 0 1 EHAF CC(C)c1cc(OC(F)F)c(Cl)cc1Oc1cnc(N)nc1N 116342017 RTVQKVNHHHKBSP-UHFFFAOYSA-N 344.749 3.812 0 1 EHAF Fc1cc(F)c2[nH]c(C(F)(Br)Br)nc2c1 587088171 JUXNEIYHMNEAKQ-UHFFFAOYSA-N 343.928 3.711 0 1 EHAF COc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(C(F)(F)F)c1 587097305 IQXBBHIGKNUDAK-UHFFFAOYSA-N 334.301 3.541 0 1 EHAF Nc1ccnc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c12 587157627 CAYIDXPUWMUORB-UHFFFAOYSA-N 332.338 3.826 0 1 EHAF Cc1cccc(-n2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cn2)c1 587390250 GABNHHZOHGQFEB-NRFANRHFSA-N 347.418 3.952 0 1 EHAF COc1cc2c3c(c1)O[C@H](CCc1cccc(C)c1F)[C@@H](C2)C3=O 587425493 DHPSXCMALFBJSW-HZPDHXFCSA-N 326.367 3.892 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4ccccc4n1)[C@@H](C2)C3=O 587437338 YBZVFGZHRBUOOX-YCRPNKLZSA-N 331.371 3.906 0 1 EHAF COc1ccoc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614579 CTQALTOHCWPING-KXBFYZLASA-N 338.315 3.697 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCSC2)N1 587854562 CWYIVELBTYXNAX-IPURGOFSSA-N 330.266 3.917 0 1 EHAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1ncc(Cl)cn1 962716742 VWCUUKKCTAFDFF-BLLLJJGKSA-N 349.862 3.722 0 1 EHAF Oc1ccc(-c2ccc(CNCCc3c[nH]c4ncccc34)o2)cc1 1857603336 OMHLMHNFBQYVII-UHFFFAOYSA-N 333.391 3.861 0 1 EHAF Oc1ccc([C@H](O)CCN2CC=C(c3ccc(F)cc3)CC2)cc1 1857631343 DYCTUGIKKPSMKX-HXUWFJFHSA-N 327.399 3.744 0 1 EHAF CCCC(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccc(F)cc1 212147 XJWKKJOZZWIOBR-FQEVSTJZSA-N 340.398 3.804 0 3 EHAF CN(C)C1=NC[C@H](Cc2ccccc2)N1CCCCc1ccccc1 36386732 GDKICJLSRRXKSQ-NRFANRHFSA-N 335.495 3.854 0 3 EHAF COC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)c(=O)n2c1CCC2 203461240 DMSOGCGPHKSWSY-UHFFFAOYSA-N 325.408 3.546 0 3 EHAF O=C(Nc1cc2ccccc2oc1=O)c1ccc(Br)cc1 258462 BAXQUTMBGPQKCS-UHFFFAOYSA-N 344.164 3.808 0 1 EHAF CS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1Cl 13586675 YALPORKUDWSYAM-UHFFFAOYSA-N 333.196 3.552 0 1 EHAF CCCCC[C@H](O)C[C@H](CCc1ccc(O)c(OC)c1)OC(C)=O 15256925 OEGIGAPIFHYJOL-IRXDYDNUSA-N 338.444 3.596 0 1 EHAF endogenous,in-man O=c1ccn(-c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c(=O)[nH]1 26016921 YWRHJSOMMRBHBP-UHFFFAOYSA-N 349.173 3.625 0 1 EHAF C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc4ccccc4cc3O)CCN12 26263585 CBCHIGRRMUUFIK-FHLIZLRMSA-N 338.451 3.681 0 1 EHAF CCCN(CCC)[C@H]1COc2c(Br)ccc(OC)c2C1 29328752 NERSQIIOBKTUFP-GFCCVEGCSA-N 342.277 3.883 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CCO 32789189 ABBVGECYEGYVPY-ZWJPJJENSA-N 332.484 3.632 0 1 EHAF biogenic COc1ccc2c3c1O[C@@H]1CC[C@H](C)[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@@]341 40461398 ZBWRAFCZORHKCH-ZUQWUQHMSA-N 339.479 3.781 0 1 EHAF O=S(=O)(c1ccc(Cl)cc1)c1cc(O)c2ccccc2c1O 40862438 SXWUEZFUYNUEML-UHFFFAOYSA-N 334.780 3.737 0 1 EHAF in-vivo COc1ccc2cc([C@H](O)c3cc(OC)c(OC)c(OC)c3)oc2c1 45358803 JKXJOAWLCGSNRE-GOSISDBHSA-N 344.363 3.549 0 1 EHAF CCCNC(=S)Nc1nc2ccc(OC(F)(F)F)cc2s1 49072837 NGMQIYOZBWMPCY-UHFFFAOYSA-N 335.376 3.891 0 1 EHAF NCCNCCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 84690896 OOQUQZYPZOWVQI-UHFFFAOYSA-N 339.266 3.648 0 1 EHAF Oc1ccc(Cc2ncc[nH]2)cc1Oc1cccc(Cc2ncc[nH]2)c1 85996405 TYCLBPSZSGTWCX-UHFFFAOYSA-N 346.390 3.812 0 1 EHAF endogenous,in-man c1ccc(-c2nnc(-c3ccccn3)nc2NCc2ccccn2)cc1 95570083 HQFWYDYBGNHXPU-UHFFFAOYSA-N 340.390 3.608 0 1 EHAF O=C(N[C@@H]1CCc2c(Cl)cc(Cl)cc21)[C@@H]1COc2ncccc21 205627697 PNDDUDLCJXTQSQ-UKRRQHHQSA-N 349.217 3.668 0 1 EHAF CC(C)=CCC[C@]1(C)Oc2c(c(O)cc(O)c2C(=O)C(C)C)C[C@H]1O 215463998 OTCGNFYHXWMHCW-UZLBHIALSA-N 348.439 3.737 0 1 EHAF NC(=O)c1cccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c12 586897275 YCERSMJEBCLTNL-UHFFFAOYSA-N 329.359 3.701 0 1 EHAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cncc(Cl)c2[nH]1 587080874 UOLSDLFRPDNTCG-LBPRGKRZSA-N 346.221 3.989 0 1 EHAF Oc1ncnc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc12 587094795 HSUKPETWSMCPPU-UHFFFAOYSA-N 348.206 3.763 0 1 EHAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(F)c4[nH]3)cc2N1 587126630 ZIQMGZXGINAOQU-WRWORJQWSA-N 339.296 3.873 0 1 EHAF COC(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2n1 587174845 MJZQJBJZZQPXOU-UHFFFAOYSA-N 344.733 3.685 0 1 EHAF CC1(C)Cc2nc3cccc4c3c(c2C[C@H]1O)-c1ccccc1C4=O 587207310 RIGMTFVDFYLOLC-GOSISDBHSA-N 329.399 3.932 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3cccn3)cc1C)O2 587390271 GCNNUEDFMRLVSK-LJQANCHMSA-N 333.391 3.778 0 1 EHAF COCc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587401022 ULCCPJAHUPHIPL-FQEVSTJZSA-N 341.407 3.613 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(OC)c1O)[C@@H](C2)C3=O 587421175 TZQXFKJLGJCCAA-VOJFVSQTSA-N 346.766 3.552 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnc(C(F)(F)F)s1)[C@@H](C2)C3=O 587422615 PITFFUCKGMNLFX-ISVAXAHUSA-N 341.310 3.659 0 1 EHAF COc1cc2c3c(c1)O[C@@H](CCc1nc4ccccc4o1)[C@@H](C2)C3=O 587436969 VFLHRDARTUWDKY-HIFRSBDPSA-N 335.359 3.585 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)C[C@H](C)N4C)[C@@H](C2)C3=O 587438346 OLLWJZGJVVMFOA-SBOBAANCSA-N 335.403 3.565 0 1 EHAF COc1ccc(CC[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 587443218 PKHDSMNXWQOJRK-ZWKOTPCHSA-N 338.403 3.761 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1C)[C@@H](C2)C3=O 587445375 YHWLEOMHCYHLLT-VBKZILBWSA-N 340.375 3.510 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccnc(SC)n1)CC2=O 587493220 RILMHRZWTUVPHZ-GOSISDBHSA-N 344.436 3.737 0 1 EHAF CS[C@H](C)C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609286 UXASCEKJIDPTTP-XFBWCDHKSA-N 330.405 3.864 0 1 EHAF COc1ccc(C=O)cc1-c1nc2c(C)c(Br)cnc2[nH]1 587787850 RUCOEONKZWIDOO-UHFFFAOYSA-N 346.184 3.517 0 1 EHAF CC[C@@H]1C(=O)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587817039 HMSYBDAORGBQBJ-RDGWCUKFSA-N 340.236 3.707 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C[C@@H](C)[C@H]2C 587822127 IVXPWDPGYJDIKL-DTKCRYMLSA-N 340.236 3.563 0 1 EHAF Cc1cc2nc(CC[C@@H](C)CC(=O)O)[nH]c2cc1Br 587961779 XFFHSKDBUQSYEC-MRVPVSSYSA-N 325.206 3.677 0 1 EHAF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587962436 JJDYKSRDRZETHJ-NEPJUHHUSA-N 334.423 3.552 0 1 EHAF Cc1cccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)c1 621430516 XUGFKLDJZSZGLG-LJQANCHMSA-N 335.403 3.588 0 1 EHAF COc1cccc2cc3c(nc12)[C@@]1(NCC3)c2ccccc2OC1(C)C 963038120 ROKXNVBPPMEABN-QFIPXVFZSA-N 346.430 3.804 0 1 EHAF COc1ccc2oc([C@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)cc2c1 963039644 ZGIVOUMZLKRSDH-ASSNKEHSSA-N 348.402 3.584 0 1 EHAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12CCCc1sc(N)nc12 963233423 UCIKNQWDRPFSRK-ORAYPTAESA-N 327.497 3.962 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)C[C@H](O)C[C@]12C 2356402134 ZQBRPFALTAJQEA-TVKQPGBESA-N 336.472 3.540 0 1 EHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)[C@H](O)C[C@]2(C)C(C)=C[C@@H](O)C[C@H]21 2356456067 QKDIWLCDONOATB-JGFIGGHZSA-N 336.472 3.538 0 1 EHAF CC[C@@H]1C(=O)C[C@@H]2[C@@H]3CC=C4C[C@@H](NC)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356457058 BKSZWYDLWWBRIR-HRWUHBFRSA-N 345.527 3.713 0 1 EHAF COc1ccc(-c2[nH]cnc2-c2cc(OC)c(OC)c(OC)c2)cc1 13473124 KZESANKBDMNMDD-UHFFFAOYSA-N 340.379 3.778 0 1 EHAF CSc1ccc(C2=C3c4cc(C)ccc4CC[C@]3(O)OC2=O)cc1 13489705 LIYDQWDBNPWLMK-FQEVSTJZSA-N 338.428 3.819 0 1 EHAF Clc1ccc(NCCC2CCN(Cc3ccccc3)CC2)nn1 13863630 BBIKQPGWVKVSEE-UHFFFAOYSA-N 330.863 3.844 0 1 EHAF CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)OC/C(=C\CO)CC[C@H]1O 38306578 XRDHAXIOHKTIGF-JTPRLKOMSA-N 338.488 3.567 0 1 EHAF CC[C@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]13 40800917 RUNRCUXZMMKEMO-QWIYEXKTSA-N 339.479 3.676 0 1 EHAF COc1cccc2cc(CSc3nc4ccccc4[nH]3)c(=O)oc12 40951996 RTSSPGDDONQTMI-UHFFFAOYSA-N 338.388 3.970 0 1 EHAF FC1(F)CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 49832276 BCASBMRZFILCPE-ROUUACIJSA-N 345.389 3.690 0 1 EHAF COc1cccc([C@H](O)c2nnc(Nc3c(C)cccc3C)s2)c1 82078552 YXLMLZSOWUQNQW-INIZCTEOSA-N 341.436 3.989 0 1 EHAF S=c1oc(-c2ccc3c(c2)OCCO3)nn1CNc1ccccc1 96934981 RFWIMZYZLODVMG-UHFFFAOYSA-N 341.392 3.713 0 1 EHAF CCC(=O)N1[C@H]2CC[C@H]1[C@H]1CC[C@@H]2N1C/C=C/c1cccc(Cl)c1 100854368 SQOZVRAOJBSOCO-SPIRMDBCSA-N 344.886 3.969 0 1 EHAF COc1cccc(-c2cc(-c3cc4ccccc4oc3=O)nc(N)n2)c1 103207243 GCADKDSIQKDOQT-UHFFFAOYSA-N 345.358 3.508 0 1 EHAF Cc1n[nH]cc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2F)c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c1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1 261366972 BAOURYZGDRVTKL-UHFFFAOYSA-N 331.169 3.779 0 1 EHAF CC(C)CCOc1cc2nc(C[C@@H](C)O)[nH]c2cc1Br 586889859 LSWDSVIQXHLJAC-SNVBAGLBSA-N 341.249 3.674 0 1 EHAF Cc1c(Br)cnc2[nH]c(C3(c4ccc(O)cc4)CC3)nc12 586896491 RWCRARJYNHMUPY-UHFFFAOYSA-N 344.212 3.814 0 1 EHAF CCOc1n[nH]c(-c2nc3cc(C)cc(F)c3[nH]2)c1Br 586979953 ZAYYLQSSHMBIQN-UHFFFAOYSA-N 339.168 3.562 0 1 EHAF Fc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1F 587005516 KLJLDKMKYOIUBX-UHFFFAOYSA-N 345.534 3.714 0 1 EHAF CC[C@@H](Oc1ccccc1F)c1nc2c(S)nc(S)nc2[nH]1 587156011 QLIJMEXGSZFCCI-MRVPVSSYSA-N 336.417 3.600 0 1 EHAF Fc1ccc(-c2cnn(Cc3nc4cc(F)cc(F)c4[nH]3)c2)cc1 587165553 ZHJLFCOUTFRSQG-UHFFFAOYSA-N 328.297 3.892 0 1 EHAF Cc1nccc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc12 587242553 VTURQFJUSNOLRI-UHFFFAOYSA-N 340.383 3.986 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c3c(c1)OCCO3)O2 587379903 MKDKSEJESFGCPS-OAHLLOKOSA-N 345.782 3.708 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@H]3CCC[C@H](C)C3)CC1)O2 587392587 BZOUFARKCQMUTJ-HOCLYGCPSA-N 342.483 3.956 0 1 EHAF COc1cc2c3c(c1)O[C@](c1ncc[nH]1)(C1CCCCC1)[C@@H](C2)C3=O 587439608 WVIQDRJBAUFLOH-MGPUTAFESA-N 338.407 3.642 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccncc1OC)CC2=O 587491508 UFALCAUUHFNURF-LJQANCHMSA-N 327.380 3.629 0 1 EHAF CC(C)CC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602110 WFBFRVDBVKTTCB-FXAWDEMLSA-N 340.375 3.728 0 1 EHAF CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cccnc1 587627286 RMNQHAOXKYQKPW-UHFFFAOYSA-N 342.782 3.932 0 1 EHAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587769973 HFAHQYKGGOIXDK-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(F)c(OC)cc3[nH]2)cc1 587785345 NELSTXAYNDPYDX-STQMWFEESA-N 340.354 3.654 0 1 EHAF C=CN1CCCC[C@H]([C@@]2(C3CC3)NCCc3cc(C)c(F)cc32)C1=O 962095810 XLYNFBJZGUVPDR-LAUBAEHRSA-N 342.458 3.657 0 1 EHAF CC(C)[C@@H]1CC[C@@]2(C1)N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962965649 LOQNNGJIGCKRAY-JEIZZZKLSA-N 343.801 3.869 0 1 EHAF NC(=O)c1ccc2c(-c3ccc(C(=O)O)c(C4CCCC4)c3)c[nH]c2n1 1857638258 GIQOUSKHPKJORP-UHFFFAOYSA-N 349.390 3.685 0 1 EHAF CCN(CC)CCC[C@H](C)N=c1c(N)c[nH]c2cc(Cl)ccc12 1857647587 UYTUPVNGKQKMFU-ZDUSSCGKSA-N 334.895 3.815 0 1 EHAF Cc1ccccc1OCCCOc1ccc2c(c1)OC[C@@H]2CC(=O)O 1857769449 GSFFAQLVCXDMIY-HNNXBMFYSA-N 342.391 3.794 0 1 EHAF CCc1cccc(C)c1CNc1cc(C(N)=O)cn2c(C)c(C)nc12 24301 IDSZXCFCCNVXER-UHFFFAOYSA-N 336.439 3.533 0 1 EHAF O=C(O)C[C@@]1(O)CCC[C@H](/C=C/[C@@H](O)CCCCc2ccccc2)C1 3644225 HGDRLKMEWSBKRS-HTJXEAOASA-N 346.467 3.713 0 1 EHAF CC(C)c1cc(CNCc2c[nH]nc2-c2ccc(F)cc2F)on1 20999650 FLVXLTIKMYQUMS-UHFFFAOYSA-N 332.354 3.756 0 1 EHAF CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CNCC1CCCC1 29128257 NXELRJXDBIVZKB-PZJWPPBQSA-N 328.500 3.593 0 1 EHAF Cc1ccc(C(=O)c2nc(C(=O)O)cc3c2[nH]c2ccccc23)cc1 66079222 XCPNDPUVUSNBQY-UHFFFAOYSA-N 330.343 3.954 0 1 EHAF CCCNc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1 73293720 AGESYMPLKFHRBU-UHFFFAOYSA-N 337.305 3.536 0 1 EHAF CCCC[C@H](C(=O)C(=O)NC1C2CC3CC(C2)CC1C3)C(=O)C(C)C 102977862 XPCHNDLQEKKZFY-NFSPANSCSA-N 347.499 3.528 0 1 EHAF O=C(Nc1ccc([C@H]2CCCNC2)cc1)c1ccc(C(F)(F)F)cn1 117725834 QWRYKKFIDVHWCA-ZDUSSCGKSA-N 349.356 3.820 0 1 EHAF O=C(NCc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1 165706184 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587618672 PNRTWJIMDXKAIU-YJBOKZPZSA-N 328.389 3.620 0 1 EHAF C[C@@]1(c2ccns2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620360 YKTNVCWAVRJWIQ-YJBOKZPZSA-N 339.372 3.726 0 1 EHAF CC(=O)CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813941 QWCXMAGALYIPPI-PSLIRLAXSA-N 328.225 3.707 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCC2=O)N1 587823698 QZDSEXKFCYPEFR-RBIVETJNSA-N 340.236 3.707 0 1 EHAF COc1cc2c(cc1OC)[C@](C)(c1ccnc(Cl)c1)N(C)[C@H](C)C2 962617166 ASYQLTIPXCTZKU-BLVKFPJESA-N 346.858 3.892 0 1 EHAF CCC[C@@]1(CCCCC(=O)OCC)NCCc2nc3ccccn3c21 962989778 AMNMVGNTMHUCSZ-FQEVSTJZSA-N 343.471 3.599 0 1 EHAF O=C(O)c1ccc2c(c1)[C@]1(CC2)c2ccc(F)cc2C[C@H]2CCCN21 963106812 NTLGXKVLPQKXSO-UTKZUKDTSA-N 337.394 3.734 0 1 EHAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cnc(N2CCCC2)s1 963257445 KIEBTCIMJPYYMR-MRXNPFEDSA-N 349.887 3.640 0 1 EHAF O=c1c(NCc2cc3cc(Cl)ccc3nc2O)cccn1C1CC1 1857555831 DHDHUTUALAFFMG-UHFFFAOYSA-N 341.798 3.703 0 1 EHAF CO[C@@H](C)c1cncc2c1C[C@@H]1c3[nH]c4ccccc4c3CCN1C2=O 2356399802 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14677342 KVPKFECEKYTIPA-ROPXLQENSA-N 342.391 3.557 0 1 EHAF biogenic COc1cccc([C@H]2c3c(C)n[nH]c3N=C3CC(C)(C)CC(=O)[C@H]32)c1 18067762 YCICWUAORVRKBE-ROUUACIJSA-N 337.423 3.950 0 1 EHAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@@H]1c1ccncc1 26569504 PNKJZOMCMLOKCF-PQMNFKMDSA-N 344.411 3.529 0 1 EHAF Cc1ncccc1CNc1ncnn1-c1cccc(Cl)c1Cl 29126122 MEXLSXFKAINFGO-UHFFFAOYSA-N 334.210 3.890 0 1 EHAF O=S(=O)(O)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 31871081 SJQXBEPEPCAVEI-UHFFFAOYSA-N 334.784 3.879 0 1 EHAF COC(=O)[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H]1N2C 100728182 AMIHUYQKNJHXPT-BAESOJJISA-N 328.239 3.733 0 1 EHAF O=C(NCc1cccc(Cl)c1Cl)[C@@H]1CCOc2ncccc21 205617158 KEUHEJZXACRALD-LLVKDONJSA-N 337.206 3.571 0 1 EHAF O=C1c2cc(COc3ccccc3)nn2CC[C@@H]1Cc1ccccc1 299838776 NZUUDMOPBXMRKX-QGZVFWFLSA-N 332.403 3.907 0 1 EHAF Clc1ccc(-n2cc(-c3nc4c(Cl)ccnc4[nH]3)nn2)cc1 587076435 SPEOFHNMDCQQTR-UHFFFAOYSA-N 331.166 3.512 0 1 EHAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cnc(Cl)[nH]c-2n1 587076564 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TYFWDZLPTVVINR-UHFFFAOYSA-N 337.404 3.598 0 1 EHAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)NCc1ccccc1Cl 587637522 BLFMNXCWRGDJDI-UHFFFAOYSA-N 342.782 3.758 0 1 EHAF CC(=O)[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587823170 ORBSXWRVPALSQT-HCYDYPBKSA-N 340.236 3.707 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nccs2)N1 587853310 MNNFIMUQRYMMHN-CLAHSXSESA-N 341.249 3.842 0 1 EHAF CCOc1ccc(OCC)n1NCc1ccccc1Br 587942114 ZNFDYRMMTMJUKN-UHFFFAOYSA-N 339.233 3.792 0 1 EHAF CC[C@]1([C@@H]2CCCNC2)c2ccsc2CCN1Cc1cccn1C 962402379 ZVIHFHIDDXQEAQ-UZLBHIALSA-N 343.540 3.750 0 1 EHAF C[C@]1(c2cccnc2N)c2ccsc2CCN1Cc1ccco1 962713216 UQUGBQSIOBZFDL-GOSISDBHSA-N 325.437 3.640 0 1 EHAF COc1cc2ccc(=O)oc2cc1OCC=C(C)CC=CC(C)(C)O 2356441441 RZHGIBONLJZHIW-UHFFFAOYSA-N 344.407 3.844 0 1 EHAF O=C(Nc1nc2ncccn2c1-c1ccc(C(F)(F)F)cc1)C1CC1 203465964 ILSXQKYDMLZMAB-UHFFFAOYSA-N 346.312 3.764 0 3 EHAF COC(=O)c1c(NC(=O)NCc2ccccc2)sc2c1CCCC2 248518 RPNUDWSHQHBGQL-UHFFFAOYSA-N 344.436 3.735 0 1 EHAF C[C@H]1CC(=O)N(CC(=O)Nc2ccccc2)c2ccccc2S1 5052099 LBMGDAZBAUGLQC-ZDUSSCGKSA-N 326.421 3.543 0 1 EHAF C[C@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@]2(O)CO)CC(=O)O 13484242 LVKUKTFPMNKMIN-NUBKVZTMSA-N 340.504 3.843 0 1 EHAF COC(=O)CCCCCCCCCCC[C@@H]1CC[C@@H](O)[C@@H](C)N1 14713217 ABGJANZYEDTCMW-KZNAEPCWSA-N 327.509 3.952 0 1 EHAF biogenic C[C@H](NC(=O)CCCn1sc2ccccc2c1=O)c1ccccc1 20467428 YWSWBLSVZNRODV-AWEZNQCLSA-N 340.448 3.721 0 1 EHAF Cn1ccnc1Sc1cc(C(=O)Nc2ccccc2)c(N)cc1F 28871847 QPDOLSJOJNHMBL-UHFFFAOYSA-N 342.399 3.545 0 1 EHAF Cn1cc(C(=O)CN2CCCCC2)cc1C(=O)c1ccc(Cl)cc1 29340053 CXFSNJILVWGQDV-UHFFFAOYSA-N 344.842 3.578 0 1 EHAF O=c1nc2c(c[nH]1)CN=C(c1ccccc1F)c1cc(Cl)ccc1-2 29340093 CNKQLMWVYUANEB-UHFFFAOYSA-N 339.757 3.580 0 1 EHAF Cc1ccc2[nH]c(-c3cc(-c4ccc(CO)cc4)cnc3N)nc2c1 45167682 XDRHCRZZJGZHDE-UHFFFAOYSA-N 330.391 3.675 0 1 EHAF COc1ccc(/C=C/c2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 96909853 WKNSEOQMIXBDMC-RUDMXATFSA-N 336.347 3.687 0 1 EHAF C[C@H]1C[C@@H](C)CN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)C1 96928449 IOVQFLUXSBRREX-TXEJJXNPSA-N 340.406 3.718 0 1 EHAF O=C(NCC1(CO)CCCC1)c1nc2c(-c3ccccc3)cccc2[nH]1 103268371 SQCINBHTKQDVOI-UHFFFAOYSA-N 349.434 3.512 0 1 EHAF Cc1ccncc1N1CCN(c2cn(C)c3ccc(Cl)cc23)C1=O 149426612 NGAZLZMOFNRHJR-UHFFFAOYSA-N 340.814 3.982 0 1 EHAF CC(C)(O)c1cn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1 169338589 LMCQBAOUKWZVCS-UHFFFAOYSA-N 339.239 3.532 0 1 EHAF NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(CC1CCC1)CC3 205007752 GIZYPGRXWUVSHP-SYYKKAFVSA-N 338.495 3.644 0 1 EHAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1COc2ncsc21 220866732 ONIPPEGMWCCDHQ-JTQLQIEISA-N 343.235 3.551 0 1 EHAF Cc1ncc(-c2ccnc(N3CCCCCC3)n2)c(-c2cccnc2)n1 299849899 KNLAPUFBGLDTAQ-UHFFFAOYSA-N 346.438 3.684 0 1 EHAF CCCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989484 KWTDICYQBSCZJE-UHFFFAOYSA-N 347.370 3.648 0 1 EHAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(CO)cc2[nH]1 587026419 DWVSWILPVDQEIG-UHFFFAOYSA-N 325.393 3.671 0 1 EHAF 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349.471 3.577 0 1 EHAF C[C@H](C(=O)O)c1c([C@]2(C)CCCC(C)(C)C2)ccc2c1CNC2=O 2356792571 JWDJVNHLOBMBGX-FKIZINRSSA-N 329.440 3.976 0 1 EHAF CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N1CCC(C)CC1 4847740 SBNJNXRFWDMEMI-GOSISDBHSA-N 341.503 3.948 0 3 EHAF O=C1COCc2cc(-c3cccnc3)ccc2N1CCc1ccccc1 74374725 HGAXLIQHBWOHGM-UHFFFAOYSA-N 344.414 3.855 0 3 EHAF COc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Cl)ccc2O3)cc1 6748418 QWYQXQYDCVBBSV-UHFFFAOYSA-N 340.766 3.795 0 1 EHAF C[C@@H]1CCCC[C@@H]1n1cnc2c(sc3nccc(N(C)C)c32)c1=O 13676123 DJZFVYFKKWLWNN-NEPJUHHUSA-N 342.468 3.823 0 1 EHAF O[C@@](Cn1ccnc1)(c1ccccc1)c1ccc(Br)cc1 26848317 QGNIGDRKAXGLEH-KRWDZBQOSA-N 343.224 3.582 0 1 EHAF Cc1c(Cc2c(F)cccc2F)nc(N(C)C2CCCCC2)[nH]c1=O 28866198 QLQRSWWVIKCQDH-UHFFFAOYSA-N 347.409 3.716 0 1 EHAF COc1ccc(C)c2sc(NS(=O)(=O)c3cccc(C)c3)nc12 84723886 PWXAIFQHLPGLKC-UHFFFAOYSA-N 348.449 3.723 0 1 EHAF CN(C(=O)c1cccc(Nc2ccccc2C(N)=O)c1)c1ccccc1 95576639 IPOVTZRSZUTGDI-UHFFFAOYSA-N 345.402 3.806 0 1 EHAF 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EHAF COC(=O)C[C@@]1(c2ccccc2Cl)NCCc2ccc(F)c(C)c21 962303124 UVHMYMVEQIILKW-IBGZPJMESA-N 347.817 3.740 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnn(CC(F)F)c2C)N1 962951540 UBZJDRYTUXSNNZ-BUXKBTBVSA-N 344.409 3.952 0 1 EHAF CCC[C@@]1(C2CCCCC2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963551279 MRCVGELEPUJXKF-JXFKEZNVSA-N 331.456 3.875 0 1 EHAF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CC=C[C@@]3(C)CC[C@H]21 2356438175 VIAZXGSKYDTXOR-MWTROVGWSA-N 330.424 3.729 0 1 EHAF CCCc1ccc2oc(C(=O)N(C)CCn3ccnc3C)c(C)c2c1 12447480 VYHOPZJEMRFQNE-UHFFFAOYSA-N 339.439 3.971 0 3 EHAF CCNC(=O)[C@]1(C)CCN(Cc2cccc(Oc3ccccc3)c2)C1 61897688 UUVHBNITRITSKM-OAQYLSRUSA-N 338.451 3.827 0 3 EHAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NC[C@H](O)CC 4212265 FIFMXACLTWHOMK-BHIYHBOVSA-N 346.471 3.588 0 1 EHAF COc1ccc2c(c1)c1c(NC[C@@H](C)CN(C)C)ncc(C)c1n2C 5161443 SAYXMTKNSPFYNB-CYBMUJFWSA-N 340.471 3.653 0 1 EHAF CC(C)CCC(=O)OCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 7096671 PUGIXXULLWXNHV-UHFFFAOYSA-N 346.471 3.841 0 1 EHAF biogenic CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 13782812 PBHNZQQGQQOYNM-UHFFFAOYSA-N 335.447 3.952 0 1 EHAF CC(C)N1C(=O)N[C@H](c2ccc(F)cc2)c2cc3c(cc21)OCO3 39290288 XYMKIBFAOOSHTB-QGZVFWFLSA-N 328.343 3.582 0 1 EHAF COc1ccc2c(c1)OC1=C(C(=O)OC1)[C@@H]2c1cccc(Cl)c1 40408476 NVUFSAPQMQUNRZ-MRXNPFEDSA-N 328.751 3.684 0 1 EHAF COc1ccc([C@H]2[C@@H]3CCc4ccc(F)cc4C3=NN2C(C)=O)cc1 40753802 UFDCJBBJBNWMFD-XLIONFOSSA-N 338.382 3.704 0 1 EHAF CN1C[C@@](O)(c2ccc(-c3cccs3)cc2)O[C@H]2CCCC[C@@H]21 40866617 MXIZKFJQVCWRGU-LNLFQRSKSA-N 329.465 3.833 0 1 EHAF FC(F)(F)COC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 45357939 VTIJRYTVJGTTAJ-OUJBWJOFSA-N 340.172 3.659 0 1 EHAF Cc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1 66111629 CKDWOGPERMRQQY-UHFFFAOYSA-N 330.347 3.846 0 1 EHAF COc1c2c(cc3c1[nH]c1ccccc13)[C@H]1O[C@@H]([C@H]2O)C(C)(C)O1 84714185 QRTQENGZUNMJFG-SZMVWBNQSA-N 325.364 3.569 0 1 EHAF CC[C@H](C)[C@H]1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 169343372 WNNARJAEGCXIMV-IONNQARKSA-N 331.195 3.858 0 1 EHAF CN(C)CCOc1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586885839 XCMLGOPSYDDCEG-BJMYLWLSSA-N 339.483 3.971 0 1 EHAF Oc1cccc([C@@H](O)c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 586893756 WNHIPSVDBYOZKG-HXUWFJFHSA-N 346.386 3.929 0 1 EHAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 586907021 ITRWCJAUTJHPCR-QMMMGPOBSA-N 335.285 3.558 0 1 EHAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1 587232995 FLCKRVBTVPUJHM-NWDGAFQWSA-N 341.415 3.600 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3[nH]nc(Cl)c3c1)O2 587380288 CQFGJHVWCJVYAQ-HNNXBMFYSA-N 327.771 3.813 0 1 EHAF COc1cc(Cl)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587419824 MHLLOHRYYBAGOF-KDOFPFPSSA-N 330.767 3.846 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(C)cc1)CC2=O 587478676 BJROSTIPMRYAKU-FQEVSTJZSA-N 340.375 3.598 0 1 EHAF CC(C)C[C@@]1(c2ncnn2C)CC(=O)c2ccc3c(c2O1)CCCC3 587517857 WIUBMQVBXYKMAH-FQEVSTJZSA-N 339.439 3.601 0 1 EHAF CN(C)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536598 XHUNJRPEMTYNFY-OAHLLOKOSA-N 328.437 3.794 0 1 EHAF C[C@H](O)CCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608349 LFCXEMCWEGDWKP-OWQGQXMQSA-N 342.391 3.664 0 1 EHAF COc1ccc(C[C@@H](C)c2nc3c(Cl)ccnc3[nH]2)cc1OC 587925696 GWBBQHUVMMQMPO-SNVBAGLBSA-N 331.803 3.975 0 1 EHAF Nc1ncnc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 587951108 WNGNYSUXANCOEF-KHPPLWFESA-N 329.363 3.898 0 1 EHAF Cc1cc2c(cc1F)[C@H](c1ccc(C(=O)N3CCCC3)cc1)NCC2 962093309 PITJGLNAINRLNM-FQEVSTJZSA-N 338.426 3.605 0 1 EHAF COc1ccc2c(c1OC)[C@@](CN=O)(c1ccccc1)N(C)[C@@H](C)C2 962642150 YOWOYNLQAPCKKL-VBKZILBWSA-N 340.423 3.590 0 1 EHAF COCc1ccccc1CCN1CCCC[C@@H]1[C@H](O)c1ccccc1 2356364022 OQGFTWNDUDCPTQ-FGZHOGPDSA-N 339.479 3.964 0 1 EHAF C[C@@]12CC[C@H]3[C@H](CC[C@H]4C[C@]5(C)NC[C@@](C)(O5)[C@]43C)[C@@H]1C[C@H](O)C2 2356479407 OKHJETVYDDGMLT-CKDWUWSUSA-N 333.516 3.705 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H]1C(=O)C[C@@]3(C(C)C)CC[C@@]12O3 2356507014 OEGVTAZVZYUFGW-FRRSERDHSA-N 348.483 3.909 0 1 EHAF CN(C)C(=O)c1ccc2c(c1)[C@H](NCc1ccccc1)CC(C)(C)O2 4665157 CDBQPQDVKOLFAO-GOSISDBHSA-N 338.451 3.780 0 1 EHAF CCOc1ccc2nc(-c3sc(N)nc3-c3ccccn3)ccc2n1 13581997 NKPNEZGIXTWKIJ-UHFFFAOYSA-N 349.419 3.796 0 1 EHAF CC(C)C[C@@](CCN1[C@@H](C)CCC[C@@H]1C)(C(N)=O)c1ccccn1 27521068 JXYNQQWXHSCGTC-ABSDTBQOSA-N 331.504 3.504 0 1 EHAF CC(=O)N1N=C(c2ccncc2)O[C@H]1c1ccc(Cl)c(Cl)c1 33814459 JVAXOFPDSGMWJX-HNNXBMFYSA-N 336.178 3.628 0 1 EHAF Cc1occc1C(=O)Nc1nc(-c2ccccn2)nc2ccsc12 45302996 UPKIGBMYVJKTHD-UHFFFAOYSA-N 336.376 3.907 0 1 EHAF CCN(C)Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2 66259178 SLCHLEMDQSMYSS-ZDUSSCGKSA-N 349.736 3.583 0 1 EHAF COc1ccc(/C=C(/c2cc(OC)c(OC)c(OC)c2)[C@H](C)O)cc1 71318172 MYMUOUNOYCMXBN-VZWMTCDZSA-N 344.407 3.642 0 1 EHAF C/C(=C\CSCCC(=O)O)CCn1cc(-c2ccsc2)nn1 84712472 FGEJFXWARPHYFR-KGVSQERTSA-N 337.470 3.551 0 1 EHAF CN(C)C(=O)Oc1cc2oc(=O)c(-c3cccnc3)cc2cc1Cl 98083069 AXJVSXYXLBXCJU-UHFFFAOYSA-N 344.754 3.569 0 1 EHAF CC[C@@H](C)Oc1ccccc1NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2C 102168933 DMHVEJOTAOYRLU-KBMXLJTQSA-N 331.460 3.611 0 1 EHAF CCNC(=O)[C@@H](OC)c1cccc(COc2cc(C)ccc2C)c1 103177349 YUXKKMRSKCWHCN-IBGZPJMESA-N 327.424 3.706 0 1 EHAF Cc1nn(Cc2ccc(NCc3ccccc3)cc2)c(C)c1CC(=O)O 168917875 JKCXOXMMDCOZRF-UHFFFAOYSA-N 349.434 3.787 0 1 EHAF C[Si](C)(C)CCC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 195901436 KBKYNXFBFKZUIJ-MRXNPFEDSA-N 339.462 3.563 0 1 EHAF O=C(Nc1ccc(F)cc1)c1c(NO)cc(-c2cccs2)oc1=O 473153937 DHSKNIHLRJJPCU-UHFFFAOYSA-N 346.339 3.561 0 1 EHAF Cc1cc(F)c2[nH]c([C@H](O)c3ccc(Br)cc3)nc2c1 586997685 QMGKPLDSJLEZGT-CQSZACIVSA-N 335.176 3.855 0 1 EHAF COC(=O)c1cc2[nH]c(-c3sc(C4CC4)nc3C)nc2cc1OC 587012087 NPSDLICWGMAMND-UHFFFAOYSA-N 343.408 3.667 0 1 EHAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(C(=O)OC)ncc2[nH]1 587062581 VUBDUHQUBJGYDA-CQSZACIVSA-N 345.786 3.928 0 1 EHAF N=c1[nH]c2nc(-c3cccc(-c4ccccc4F)c3)nc-2c(Cl)[nH]1 587153008 JOUYZAGIQHQYCO-UHFFFAOYSA-N 339.761 3.844 0 1 EHAF O=C(/C=C/c1nc2c(Cl)cnc(Cl)c2[nH]1)Nc1ccccc1 587243429 DMJMCWRMTHCVIM-VOTSOKGWSA-N 333.178 3.917 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1N1CCCCC1)O2 587399663 MHXRKUWICUVDJV-GOSISDBHSA-N 337.423 3.669 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-n4ccnc4C)cc1)[C@@H](C2)C3=O 587432203 UYNOOSRMMAWCNE-UWJYYQICSA-N 346.386 3.678 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H](c4cccnc4)C1)[C@@H](C2)C3=O 587436178 MVYJHENCQRBLTB-JRQSSSKMSA-N 335.403 3.934 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c(N)cc(F)cc1F)CC2=O 587465999 LDPLJLTXQYKLKI-MRXNPFEDSA-N 333.334 3.912 0 1 EHAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccco1)CC2=O 587469617 OCCSLVJKLSTNHC-CFGKVWFZSA-N 341.407 3.874 0 1 EHAF COC(C)(C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590692 AEXJYOBWFYXRQV-HNAYVOBHSA-N 328.364 3.538 0 1 EHAF CO[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587806439 AVUQPGPKNAHZNJ-ZXIHIIQKSA-N 342.252 3.907 0 1 EHAF O=C(OCc1ccccc1)N(c1ccccc1)[C@H]1CN2CCC1CC2 1857543731 QZTQQKQHRWQZMZ-FQEVSTJZSA-N 336.435 3.924 0 1 EHAF O=C(c1ccc2c(c1)OCCO2)N(c1ccccn1)C1CCCCC1 3265360 ROXYNYRHUPSQCZ-UHFFFAOYSA-N 338.407 3.832 0 3 EHAF Cc1cccc(NC(=O)CCCN2C(=S)NC(C)(C)C[C@@H]2C)c1C 13573150 ALRGNTIVEUSRRL-AWEZNQCLSA-N 347.528 3.769 0 3 EHAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]12 74377784 QRBRRCDXVPDTHM-SJORKVTESA-N 340.810 3.524 0 3 EHAF CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c([C@@H](C)CC)nc3n2)C1 3955128 KOLXOSRVQZHDQO-IHRRRGAJSA-N 328.460 3.847 0 1 EHAF COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 26717091 LSLFSIZNUVIKEE-ONFYXGJMSA-N 325.452 3.535 0 1 EHAF COc1cccc(C(=O)N2CCCC2)c1OCCCc1ccccc1 28524185 DBNZLMKJUADHFD-UHFFFAOYSA-N 339.435 3.943 0 1 EHAF Oc1nc(CCCCCCCCCCCCc2noc(O)n2)no1 40420472 KGZWVUWQJZEORM-UHFFFAOYSA-N 338.408 3.550 0 1 EHAF COc1oc(=O)c2cc(NC(=O)C3CCCCC3)ccc2c1Cl 40957630 SLUZYZCBXLLWJL-UHFFFAOYSA-N 335.787 3.974 0 1 EHAF COC(=O)c1cc2c(cc1OC)[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2 49015216 OEHCMBRUTZKLFQ-VYTZOGDHSA-N 344.451 3.699 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@H]2CC[C@@H]1N2C/C=C/CF 62224507 XZWRXMFAFBSAJC-NDRAQPQCSA-N 331.431 3.630 0 1 EHAF CC[C@H](COC)NCc1coc(-c2ccccc2Br)n1 72183689 IEFZVXFMDGUUST-LLVKDONJSA-N 339.233 3.619 0 1 EHAF COc1cccc([C@H](C)NC(=O)c2ccc(-c3ccncn3)cc2)c1 73372585 MBRVCJRFWYHVHE-AWEZNQCLSA-N 333.391 3.643 0 1 EHAF COc1cc2c(cc1OC)-c1c(-c3ccccc3OC)ncn1CC2 84636068 WTFRIMGWDNCXMM-UHFFFAOYSA-N 336.391 3.799 0 1 EHAF O=C(NCc1ccccc1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 104995969 YKKNLRNZTFDTOZ-SFTDATJTSA-N 349.478 3.681 0 1 EHAF CSc1nn(-c2ccccc2)c2cc(N3CCCNCC3)ccc12 147342589 LLFAXCTYEOFGQG-UHFFFAOYSA-N 338.480 3.547 0 1 EHAF CN1CC[C@H](C(=O)c2cncc(-c3cc(Cl)cc(Cl)c3)c2)C1=O 205750883 BQFVMILQHKSFET-OAHLLOKOSA-N 349.217 3.716 0 1 EHAF COC(=O)c1ccc2nc([C@@H](C)SCc3ccccc3)[nH]c2n1 586961370 HUSIYZOZACDHNT-LLVKDONJSA-N 327.409 3.739 0 1 EHAF Oc1nc2cc3[nH]c(-c4ccc(-c5nccs5)s4)nc3cc2[nH]1 587023771 IIAGMBXMTOVVBV-UHFFFAOYSA-N 339.405 3.997 0 1 EHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 587242666 YRQUHURGLHQRAF-UHFFFAOYSA-N 349.394 3.796 0 1 EHAF CSc1ccc(C(=O)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587411310 SEGHAFHWVQAHTR-MRXNPFEDSA-N 327.405 3.516 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)nc1)[C@@H](C2)C3=O 587420287 FGWKZSZKYLUGGJ-MEDUHNTESA-N 335.281 3.598 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCCCc4cc(N)ccc41)[C@@H](C2)C3=O 587426947 BMJQZWGTYZVQSW-LAUBAEHRSA-N 335.403 3.647 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC)c1N)CC2=O 587473371 SVJACBRNCHSBCU-FQEVSTJZSA-N 341.407 3.816 0 1 EHAF O=C1C[C@@]2(CCCC3(C2)OCCO3)Oc2c1ccc1c2CCCC1 587535802 NZZLRIKYLYPXLK-LJQANCHMSA-N 328.408 3.587 0 1 EHAF Cc1nc(O)cc(C[S@@](=O)C(c2ccccc2)c2ccccc2)n1 1772610095 CDOQKJHSDKVELR-XMMPIXPASA-N 338.432 3.529 0 1 EHAF CC(C)CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(CO)c3C[C@]2(C)[C@H]1C 2356428866 AHYLUCJNWGSOAE-SGJCYKPQSA-N 348.439 3.521 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@@H]1[C@]23C 2356690825 MDGQYVICUGZAQD-YLVCUXTHSA-N 344.407 3.653 0 1 EHAF C[C@@H](OC(=O)N(C)Cc1ccccc1)[C@H]1O[C@]2(C)CCCC[C@H]1O2 36388056 RSQNPNRXFSIMIL-KLICCBINSA-N 333.428 3.718 0 3 EHAF O=C(O)[C@]1(C(F)(F)CCCCCOc2ccc(Cl)cc2)CO1 3919356 NHILGKPNUSFGDP-AWEZNQCLSA-N 334.746 3.768 0 1 EHAF C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]13COC(=O)C1=CCC[C@@H]32 5573700 BLXXJMVVAYFKDR-XFUZISPGSA-N 342.391 3.564 0 1 EHAF biogenic C[C@@H](OC(=O)c1cnc(Cl)cn1)c1ccc(Br)cc1 6494368 XZTOJSZITMEHDB-MRVPVSSYSA-N 341.592 3.811 0 1 EHAF CC(C)=CCCC1=CCC[C@](C)(O)[C@@H](CC/C(C)=C/CO)OC1=O 14557438 ZHZXKFJCBPWBER-KNVXLNJUSA-N 336.472 3.835 0 1 EHAF COc1c(C)c(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc2c1C 14727452 PCRPRSKMNFYFSI-UHFFFAOYSA-N 342.347 3.505 0 1 EHAF biogenic C[C@@H](C(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 26390997 IGTBWNRPQOIMSD-ATKWPCDNSA-N 347.499 3.845 0 1 EHAF COc1cc2c(cc1OC)C(C(=O)c1cccc(Cl)c1)=NCC2 26673560 QUMIVCOJIUDXAU-UHFFFAOYSA-N 329.783 3.585 0 1 EHAF CCN[C@@H](c1ccc(OC)cc1)[C@@H](NCC)c1ccc(OC)cc1 27898603 RWBJZGOKQIHOFV-PMACEKPBSA-N 328.456 3.705 0 1 EHAF C[C@@H]1c2cccc3c2N(CC3)c2ccccc2N1C(=O)CCN(C)C 28770383 MPXURRMUXYOHGS-OAHLLOKOSA-N 335.451 3.740 0 1 EHAF C[C@@]12CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(CC1=O)C2 36433676 IFBDONATNOSZJB-JPXWGHGXSA-N 334.456 3.558 0 1 EHAF C[C@@]12C=C[C@H]3[C@]4(C)CCC[C@]3([C@@H](OC4=O)O1)[C@H]2CC(=O)c1ccoc1 40938714 RRIAXHHOQKFFCN-ULFLFZEMSA-N 342.391 3.503 0 1 EHAF biogenic,in-vitro Cc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1ncn[nH]1 66166544 HQBDXBBDGWHRLC-UHFFFAOYSA-N 349.419 3.571 0 1 EHAF CC(C)(C)c1cc(C(=O)Nc2ccccn2)n(Cc2ccccc2)n1 73161613 DZIWGBCGMYSYFO-UHFFFAOYSA-N 334.423 3.876 0 1 EHAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@@H](C2)[C@H]1C[C@@H](C)C(=O)C3 101189301 YMCAJSSZWHVMMT-POHZVDBMSA-N 339.479 3.589 0 1 EHAF C[C@H]1CC[C@@H](NS(C)(=O)=O)CCCCCCCCCCC(=O)O1 103215450 SRCSWRHTEYOYIJ-HOTGVXAUSA-N 347.521 3.531 0 1 EHAF O=C(NCc1ccccc1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 104995973 YKKNLRNZTFDTOZ-NHCUHLMSSA-N 349.478 3.681 0 1 EHAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc2ccccc2c1 169314083 XVOOTZXSASFQRD-JQRTYKGCSA-N 333.431 3.879 0 1 EHAF CCCCOc1ccc2c(n1)CCN(c1ccc(F)cc1F)C2=O 169331105 ILSAVHGBKQQODC-UHFFFAOYSA-N 332.350 3.742 0 1 EHAF O=N[C@H]1c2ccccc2O[C@@]2(C(=O)Nc3ccc(Cl)cc3)C[C@@H]12 169724338 AGFWFCJSFBBCIJ-QRTARXTBSA-N 328.755 3.937 0 1 EHAF CC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@H]2C1 196481952 ZMXCLMPXNMCQSZ-IMDKNKCXSA-N 345.446 3.591 0 1 EHAF O[C@@H]1C[C@H](c2nc3ccc(Br)cc3[nH]2)c2ccccc21 586904997 XCTNMAZDBUOKJR-SWLSCSKDSA-N 329.197 3.894 0 1 EHAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Cl)c(F)cc2[nH]1 586922872 UOCSYUJTCHYLBY-UHFFFAOYSA-N 338.791 3.816 0 1 EHAF COc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 587075778 KGIQSLNWVSOQCG-OAHLLOKOSA-N 342.830 3.957 0 1 EHAF O=C(O)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232398 SWLZUTIFZZCCFU-UHFFFAOYSA-N 347.374 3.811 0 1 EHAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cnc(Cl)[nH]c-3n2)c1 587241941 LKJBMHPABQNSGP-UHFFFAOYSA-N 343.818 4.000 0 1 EHAF COC(=O)Nc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587243046 BZTWBMDHZDHMAX-UHFFFAOYSA-N 339.248 3.965 0 1 EHAF CCCCOc1cc2nc([C@H]3CC[C@@H]3N)[nH]c2cc1Br 587247318 YPWSRFWWKHNLMX-ONGXEEELSA-N 338.249 3.709 0 1 EHAF CC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)COC1 587355238 CTIOBAMYPSGRNU-FXAWDEMLSA-N 342.366 3.685 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C(F)(F)F)s1)O2 587382542 MZACNPAGSGITDQ-SNVBAGLBSA-N 328.315 3.759 0 1 EHAF CC[C@]1([C@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587456895 YHGHGYITAANLSK-XBHMSOGKSA-N 330.424 3.797 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3ccnc3)nc1)CC2=O 587469843 HANCRIITQUJMCJ-GOSISDBHSA-N 349.390 3.632 0 1 EHAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587585632 FMEFOHKKNIYDON-YLJYHZDGSA-N 333.343 3.799 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CC1CCOCC1 587612033 TVAGSJFRYBPDJF-ZWKOTPCHSA-N 340.375 3.539 0 1 EHAF Cn1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)n1 587629525 UFLATQZHCIRHRP-UHFFFAOYSA-N 327.693 3.863 0 1 EHAF Cc1nc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)co1 587774110 LMFWWILZOMYAAE-ANRSDYALSA-N 339.208 3.682 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2)N1 587777773 JNSZUYGACOYOPD-QLJPJBMISA-N 335.220 3.781 0 1 EHAF Oc1nncc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783925 JJETWBXGTNZUIJ-DHZHZOJOSA-N 344.374 3.808 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3OCCC[C@H]32)N1 587840989 LCWVYHNHKNIHIB-QBTOZTBISA-N 340.236 3.517 0 1 EHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OCO3 587927857 VHFGMAGAGKHJOP-GFCCVEGCSA-N 340.379 3.851 0 1 EHAF C[C@@H]1[C@@H](c2ccccc2)C[C@@]12NCCc1ccc(C(=O)N(C)C)cc12 962935446 ZOSUNSJPTNXJJB-QOEFQVSFSA-N 334.463 3.553 0 1 EHAF COc1cccc(OC)c1C(=O)CC(=O)c1ccc(OC(C)C)cc1 1857568591 DAOSMYDOAIHJAP-UHFFFAOYSA-N 342.391 3.947 0 1 EHAF O[C@@H](CCc1ccc(F)cc1)C[C@H](O)c1cc(-c2ccccc2)on1 1857752438 WHZZOUAWQDHAKK-HKUYNNGSSA-N 341.382 3.898 0 1 EHAF Cc1ccc(C(=O)Nc2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1 1857760212 YTRUVTQGYZGGNK-CQSZACIVSA-N 349.434 3.581 0 1 EHAF CCCC[C@H](CC)C[C@](O)(C=C(CC)[C@H](O)CC(=O)OC)CC 2356558920 PVKQNBZAJBAVBB-WDYCEAGBSA-N 328.493 3.994 0 1 EHAF CCOC(=O)[C@@]1(C)CCCN(C(=O)Cc2ccc3ccccc3c2)C1 61928060 RRAOQKJXEDPLGQ-NRFANRHFSA-N 339.435 3.574 0 3 EHAF CC(C)CN(CC(C)C)C(=O)c1cn([C@H](C)c2ccccc2)nn1 203475664 NWMQFLNQIWGQMA-MRXNPFEDSA-N 328.460 3.642 0 3 EHAF CCCCCOC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 13644465 HTANEYSVDWYDCX-UHFFFAOYSA-N 335.488 3.833 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 14904155 HHUZGDMRRLQZIQ-QXTCGRPKSA-N 334.500 3.566 0 1 EHAF O=C(O)c1c[nH]c(Cc2cc(Cl)ccc2OCc2ccccc2)n1 29128729 VCRAKMMFCLUEHO-UHFFFAOYSA-N 342.782 3.931 0 1 EHAF CC(C)(C)c1cc(/C=C2\CCN(CCO)C2=O)cc(C(C)(C)C)c1O 29571687 VLZAWALSZLBIIH-RVDMUPIBSA-N 345.483 3.595 0 1 EHAF COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1ccccc1O[C@H]3C 40875753 FQHXWJRYPIJDJT-NSHDSACASA-N 337.375 3.676 0 1 EHAF CN1CCC[C@H]1COc1cnc(Cl)c(Oc2ccnc(F)c2)c1 43020236 HSEHBSQUNNSPRZ-NSHDSACASA-N 337.782 3.534 0 1 EHAF COc1cc2c(cc1OC)-c1[nH]nc(NCc3ccccc3C)c1C2 45283563 XIVZINLXKYXNHU-UHFFFAOYSA-N 335.407 3.919 0 1 EHAF CS(=O)(=O)c1ccc(-c2nnc(Nc3ccc(Cl)cc3)o2)cc1 66264110 NLGVUEZQLIHEEW-UHFFFAOYSA-N 349.799 3.537 0 1 EHAF COc1cccc([C@@H](O)c2nnc(Nc3c(C)cccc3C)s2)c1 82078551 YXLMLZSOWUQNQW-MRXNPFEDSA-N 341.436 3.989 0 1 EHAF Cc1ccc(Cn2cnc(C(=O)N(C#N)Cc3ccccc3)c2C)cc1 84538263 HCRZGGIMNSHLCI-UHFFFAOYSA-N 344.418 3.672 0 1 EHAF COc1cc(F)c2nnc3c(C)nc(-c4sccc4C)n3c2c1 84687215 BLODSLLFPYATAO-UHFFFAOYSA-N 328.372 3.771 0 1 EHAF NC(=O)c1cccc(C[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 101363734 SKQZYGXREOYGMD-NUZGMZIFSA-N 334.463 3.771 0 1 EHAF Cn1nc2c(c1CC1CC1)-c1nc(Nc3ccccc3)ncc1CC2 169702232 XYFCPIDVWATNBO-UHFFFAOYSA-N 331.423 3.672 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]2C1 238747032 BTWJKKIMLXVHOF-LZENNGEYSA-N 332.440 3.953 0 1 EHAF CCOC(=O)c1ccc2[nH]c(-c3ccc(Br)o3)nc2c1 587006951 SOBJGAZXWZQDHG-UHFFFAOYSA-N 335.157 3.762 0 1 EHAF COc1nccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587086567 AANKIJDLCBKDKL-UHFFFAOYSA-N 337.770 3.744 0 1 EHAF Nc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1N 587112247 LAMGIZCJNLNXSR-UHFFFAOYSA-N 343.312 3.961 0 1 EHAF Fc1cc(Br)c(Cl)cc1-c1nc2cncnc2[nH]1 587137677 FNOCNOFPBZCMAP-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF COc1ccc2c(c1)c([C@@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2C 587388948 CGFTUGQQECZCHM-IBGZPJMESA-N 336.391 3.784 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1nc(C)no1)O2 587395644 SZGYFWODIILHFA-KRWDZBQOSA-N 335.363 3.642 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCCOc4cc(F)ccc41)[C@@H](C2)C3=O 587430252 ZSUQXVAUXZLZNQ-YWZLYKJASA-N 340.350 3.650 0 1 EHAF Cc1cccc(OCc2nc3cncc(Br)c3[nH]2)c1C 587564260 PRAFRUAIUCPXBB-UHFFFAOYSA-N 332.201 3.916 0 1 EHAF CCOC(=O)Cc1[nH]c2cccc(F)c2c1NC(=O)OC(C)(C)C 587636033 XZTDTWDHCSMXHD-UHFFFAOYSA-N 336.363 3.760 0 1 EHAF Cc1noc(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587789688 AOVVKHZOASHPKJ-MLXNANBUSA-N 339.208 3.817 0 1 EHAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 587790380 BQRANTSETRZQRZ-AYVTZFPOSA-N 339.208 3.682 0 1 EHAF CCOC1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587806929 BQIMNKBOZMTBOD-IEBVAXJPSA-N 328.225 3.517 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCO[C@H](C)C2)N1 587841712 NMZANRASDSYNPJ-FEUHOPSXSA-N 328.225 3.517 0 1 EHAF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(F)c(Br)c2[nH]1 587963779 SWPQVGCIJRJRQE-SFYZADRCSA-N 325.181 3.622 0 1 EHAF Cc1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3)cc2O)c1C 618012073 WKYFMZWQKSQHFP-UHFFFAOYSA-N 339.370 3.650 0 1 EHAF CC[C@@]1([C@@H]2CCCNC2)c2ccsc2CCN1Cc1cccn1C 962402377 ZVIHFHIDDXQEAQ-OXQOHEQNSA-N 343.540 3.750 0 1 EHAF CCCC(=O)Nc1nc(C(F)(F)F)ccc1-c1nnc(CCC)o1 1772639251 VHEWZYBVVXXUAC-UHFFFAOYSA-N 342.321 3.842 0 1 EHAF O=C(CCCc1ccccc1)C(=O)NCCc1ccccc1Cl 1911578691 AMGNVNMVMJJETR-UHFFFAOYSA-N 329.827 3.591 0 1 EHAF Cc1[nH]c(C(=O)N2CCCC2)cc1Cc1ccc(C(F)(F)F)nc1 1911585188 PXHVSVPSYHLOLJ-UHFFFAOYSA-N 337.345 3.564 0 1 EHAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@]3(C[C@H](CO)CC34CCCC4)[C@@H]1[C@@H](O)C2 2356537044 XCQUHWHYMLJKJX-XTAKMKPUSA-N 348.527 3.648 0 1 EHAF CCOC(=O)c1cc(-c2ccccc2C)nn1Cc1cc(CC)no1 36387845 HFMKTVSAFBCZAF-UHFFFAOYSA-N 339.395 3.634 0 3 EHAF O=C(c1ccncc1)N1CCC2(CCCN(Cc3ccccc3)C2)CC1 4238043 XZMTXWLIDGNVDD-UHFFFAOYSA-N 349.478 3.600 0 1 EHAF COc1c(C(C)C)ccc2c1[C@H](O)C[C@@H]1C3=C(CC[C@]21C)C(=O)OC3 14823654 OMQCFSSTPCOICJ-CBGDNZLLSA-N 342.435 3.777 0 1 EHAF biogenic CCOc1cc2c(cc1O)CC(=O)C[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 26476203 SOIPLRPHJHQQGL-HWKVVRSWSA-N 344.451 3.577 0 1 EHAF Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1ccc(C(=O)O)cc1 28382049 CDWRTACTPFUHEY-VLGSPTGOSA-N 345.811 3.733 0 1 EHAF O=C1NCCn2c(-c3ccc(Cn4cccc4)cc3)cc3cccc1c32 28460234 VNJHSZOLWJECAT-UHFFFAOYSA-N 341.414 3.902 0 1 EHAF CC(=O)N1N=C(c2ccncc2)O[C@@H]1c1ccc(Cl)cc1Cl 72178687 KNHFSCIJTQXKOW-OAHLLOKOSA-N 336.178 3.628 0 1 EHAF CCc1cc(=O)c2ccc(Sc3cccc(Cl)[n+]3[O-])cc2o1 73198128 OEAALYXSEJXVON-UHFFFAOYSA-N 333.796 3.793 0 1 EHAF CC(C)c1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231751 GKUBNAGRUAJEER-HIFRSBDPSA-N 326.444 3.601 0 1 EHAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(Cc4cocn4)C[C@@H]2N3)cc1 100108326 SXPFQPIEGAOSCE-KOUNCHBCSA-N 345.446 3.590 0 1 EHAF NC(=O)c1ccc2nc(-c3ccc(C(=O)c4cccs4)cc3)[nH]c2c1 137455256 LTHIRGIDLAURBV-UHFFFAOYSA-N 347.399 3.621 0 1 EHAF COc1cc2ccc([C@](O)(c3ccncn3)C(C)C)cc2cc1OC 144634534 RBYAUFGMTNJMOR-FQEVSTJZSA-N 338.407 3.539 0 1 EHAF COc1cc(F)cc2c1nnc1c2c(-c2ccccc2Cl)nn1C 146512697 MMJDOWOZKGXPBB-UHFFFAOYSA-N 342.761 3.985 0 1 EHAF CC(C)=C1C/C=C(\C)CC[C@H](O)[C@H](C(=O)O)[C@@H](O)C/C=C(/C)CC1 238786051 MUKKWTZBXOOCHN-ZGDLFNLZSA-N 336.472 3.992 0 1 EHAF COc1cc(OC)c2[nH]c([C@H](O)[C@@H](C)c3ccc(C)cc3)nc2c1 586885399 CEBDPMHWZUSEMA-KPZWWZAWSA-N 326.396 3.726 0 1 EHAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cccnc3[nH]2)c1 586914624 ZUYNVHRZUNVRAE-UHFFFAOYSA-N 331.331 3.726 0 1 EHAF Cc1ncc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(C)c1Br 586978873 AQYQXENXXZMWST-UHFFFAOYSA-N 342.200 3.881 0 1 EHAF CSc1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 587020802 BEQJMSYIZJLATD-UHFFFAOYSA-N 327.438 3.809 0 1 EHAF CC[C@@H](Oc1ccccc1F)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587156551 VHTXICVRXPXYCB-SNVBAGLBSA-N 340.280 3.993 0 1 EHAF COc1ccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2n1 587197177 ABTIHWWAQZRJSG-CYBMUJFWSA-N 334.420 3.531 0 1 EHAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc(O)c2[nH]1 587235746 QNZGRUQJNMVDJS-VXGBXAGGSA-N 331.416 3.819 0 1 EHAF CCn1c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 587430591 JHNGGQDEGIJPPP-SZNDQCEHSA-N 348.402 3.728 0 1 EHAF CCCCCn1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587431635 LGCRUNLCNUZQSW-AUUYWEPGSA-N 326.396 3.571 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCN(C)[C@@H]3CCC[C@H]31)CC2=O 587489096 RXOAMYRPZCLDNS-JXXFODFXSA-N 329.440 3.553 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc([C@H](C)O)s1)CC2=O 587495465 OSNHSXOVJKFFGT-LKFCYVNXSA-N 333.409 3.561 0 1 EHAF CCCOc1ccccc1C(=O)n1ncc2ccc(Cl)cc2c1=O 587651986 IUTFODLXJNQVOP-UHFFFAOYSA-N 342.782 3.527 0 1 EHAF CC(C)O[C@@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587810269 KCGGNHWMQXTZFM-ZXIHIIQKSA-N 342.252 3.905 0 1 EHAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 587930766 POTDZUTZWNIYBY-XVSDVWIESA-N 336.395 3.740 0 1 EHAF Oc1nc(O)c2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2n1 587949653 JXLUKOWRHGJHOU-KHPPLWFESA-N 346.346 3.727 0 1 EHAF CCC[C@H](c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(C)C 587957080 ZWHWZUYQPARXRP-AWEZNQCLSA-N 326.444 3.858 0 1 EHAF O=C(c1nc(-c2cccc(Cl)c2Cl)cs1)N1CCOCC1 1772653990 NLPCGJGNMZKIPM-UHFFFAOYSA-N 343.235 3.589 0 1 EHAF CCc1sc2ncnc(N[C@@H](C)C(=O)O)c2c1-c1ccccc1 1857558329 UAPIJVBKIBYQAG-JTQLQIEISA-N 327.409 3.806 0 1 EHAF CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)nc2)ccn1 1857652455 MTOKESMTTXYGSQ-UHFFFAOYSA-N 347.353 3.784 0 1 EHAF CC1=CC[C@H](O)[C@H](C(=O)O)[C@@H](O)CCC(C)=CCC(=C(C)C)CC1 2356452343 MUKKWTZBXOOCHN-GBESFXJTSA-N 336.472 3.992 0 1 EHAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4207473 NIXCSHRGIWFKQE-DOTOQJQBSA-N 346.814 3.941 0 1 EHAF C[C@@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC=C(CC(=O)O)[C@]3(C)CC(=O)[C@H]12 6201595 QZBWVBCUNAJAMC-WYZBVHOTSA-N 342.435 3.708 0 1 EHAF Nc1nc(-c2cccc3ccccc23)cn2nc(-c3ccco3)nc12 6717189 TYLVOLSRSSGIOX-UHFFFAOYSA-N 327.347 3.787 0 1 EHAF CO[P@](=O)(c1ccccc1)N1CCCC(c2ccc(F)cc2)=N1 13557125 ZEGQIPCHQCDGTC-HSZRJFAPSA-N 332.315 3.791 0 1 EHAF CN(C)CCOc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12 13761243 WXSXQPDLPVPCFD-UHFFFAOYSA-N 342.826 3.789 0 1 EHAF COc1ccc2c(c1)c1c(n2C)CCC[C@H]1CNC(=O)C1CCC1 13777798 JMRRAXDOPYESGD-AWEZNQCLSA-N 326.440 3.523 0 1 EHAF O[C@H](COc1ccc(Oc2ccccc2)cc1)CO[C@H]1CCCCO1 26390073 AVEWKRONOBTESG-UZLBHIALSA-N 344.407 3.762 0 1 EHAF C[C@]1(C(=O)O)COC(=O)C[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 34256191 VFGLJHHUUNQGDO-DJLVLGKWSA-N 346.423 3.554 0 1 EHAF CCc1cc2c(cc1O[C@H]1CCOC1)Cc1c(-c3cccnc3)n[nH]c1-2 43069693 VSPPNECXPLDRSL-INIZCTEOSA-N 347.418 3.773 0 1 EHAF O=C1[C@H]2CCCN2[C@H](c2cccc(Cl)c2)N1c1ccc(F)cc1 58047412 DHRPDKSOYBHBLZ-SJORKVTESA-N 330.790 3.989 0 1 EHAF O=C1[C@H]2CCCN2[C@@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 58047546 XTPWKQLKOSVDPX-IAGOWNOFSA-N 330.790 3.989 0 1 EHAF COc1cccc2c1[C@]13CCN(CC4CCC4)[C@H](C2)[C@@H]1CCC(=O)C3 64256514 YDARHIKEDVMXJC-JQVVWYNYSA-N 339.479 3.733 0 1 EHAF CCO[P@](=O)(Oc1ccc(C(F)(F)F)cc1)N1CCOCC1 72126156 PUCRFEWPXAPKTC-QFIPXVFZSA-N 339.250 3.561 0 1 EHAF CC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@H]([C@@H]1c1ccccc1)[C@@H]32 195487067 ALNREWIJIWNNFA-VRRLNDPFSA-N 346.430 3.514 0 1 EHAF CC[C@H](C(=O)N[C@H]1CCCC[C@H]1C)n1sc2ccccc2c1=O 245257920 ICCRVYGUBABUKA-VHDGCEQUSA-N 332.469 3.709 0 1 EHAF O=C1CCC(c2ccccc2)(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 586877891 VFDZPMRURHHHNY-UHFFFAOYSA-N 346.390 3.574 0 1 EHAF Clc1nccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007721 PSHGTSLUHCCEHS-UHFFFAOYSA-N 348.591 3.689 0 1 EHAF COc1ccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2n1 587012508 SCQUIWXWBRJPLY-UHFFFAOYSA-N 336.420 3.989 0 1 EHAF CC(=O)N[C@@H](Cc1nc2cc(F)cc(F)c2[nH]1)c1ccc(C)cc1 587206438 MNZAWNZSNAZUPS-HNNXBMFYSA-N 329.350 3.569 0 1 EHAF CCCC[C@@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444481 ZHPDCDWLQHLGLY-MDOVXXIYSA-N 346.423 3.571 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)N)CC2=O 587472861 NRMBGWFNLJPDGO-RNODOKPDSA-N 325.408 3.553 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(SC)n1)CC2=O 587494446 XGSCCIGBBBFIMS-HNNXBMFYSA-N 330.409 3.563 0 1 EHAF Cn1ncc(Cl)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587501580 PCSVTHQWAZQUSX-GOSISDBHSA-N 330.815 3.833 0 1 EHAF COCCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599152 WEMALYSQBGDENA-VQIMIIECSA-N 328.364 3.539 0 1 EHAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587769976 HFAHQYKGGOIXDK-MGPLVRAMSA-N 335.220 3.915 0 1 EHAF C[C@@H](O)CCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587834058 QLQJRFMOLSRTNE-IQMDTDKHSA-N 330.241 3.715 0 1 EHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCO 587858303 DHFHLHHXMCONGI-UHFFFAOYSA-N 343.210 3.668 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1F 587871529 YKFIEJALPHNZBM-UHFFFAOYSA-N 328.318 3.916 0 1 EHAF Cc1[nH]c2c([C@@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)cccc2c1C 963023362 JUXXLICTTIKHLG-LHSJRXKWSA-N 345.446 3.927 0 1 EHAF O=C(c1ccc2c(c1)OCCO2)c1cnc(-c2c[nH]c3ccccc23)[nH]1 1857745669 IVRDLXOYAULNRM-UHFFFAOYSA-N 345.358 3.560 0 1 EHAF Cc1cc(C)c(Oc2nc(=N)nc(Oc3ccc(F)cc3)[nH]2)c(C)c1 1857767553 VECKLZBKDGBGFZ-UHFFFAOYSA-N 340.358 3.933 0 1 EHAF CCCNC(=S)NC[C@@]1(C)CCc2ccc3ccc(OC)cc3c21 1857774401 VXVVYBFJBHSBRI-HXUWFJFHSA-N 342.508 3.926 0 1 EHAF COc1cc2c(cc1OC)[C@H](CCCCN1CCCCC1)OC2=O 1911578912 AFOCVZCOMYGUSP-INIZCTEOSA-N 333.428 3.572 0 1 EHAF CC1(C)C(Br)=C[C@H](O)[C@]2(C)O[C@@H]3C[C@@]12CC[C@]3(C)Cl 2356585119 DQGHGRXDZHRTFQ-HZZBMVKVSA-N 349.696 3.991 0 1 EHAF Cc1ccc2oc(C(=O)N(Cc3nccn3C)C(C)C)c(C)c2c1 11936194 ASDUUJDGQVTSAJ-UHFFFAOYSA-N 325.412 3.834 0 3 EHAF c1nc(NC[C@H]2CCCO2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 36382586 FMWMKOOUBGJSJD-OAHLLOKOSA-N 349.390 3.616 0 3 EHAF O=C(O)CCn1cc(-c2ccc(Cl)cc2)nc1-c1ccncc1 36387386 RNMCBIYNHNZRJL-UHFFFAOYSA-N 327.771 3.740 0 3 EHAF Cc1onc(-c2ccccc2F)c1C(=O)NCCOc1ccccc1 2482556 LIOGEKKOVINPQW-UHFFFAOYSA-N 340.354 3.598 0 1 EHAF CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 4054160 NAEAQJCWPRNAQC-DOTOQJQBSA-N 346.789 3.659 0 1 EHAF C/C(=N/Nc1ncnc2sc3c(c12)CCC3)c1nc2ccccc2[nH]1 7675351 VUMOJLAMGFLMJR-RMORIDSASA-N 348.435 3.892 0 1 EHAF C[C@H]1[C@@H](c2ccc3c(c2)OCO3)c2c(ccc3c2OCO3)C(=O)[C@@H]1C 14618714 ZTOORMQTJNUZOQ-AGKHESDQSA-N 338.359 3.744 0 1 EHAF endogenous,in-man COc1cc2c(cc1O)CCCc1cc(OC)c(OC)c(OC)c1-2 26495107 VTGSWVGQGGVSPN-UHFFFAOYSA-N 330.380 3.582 0 1 EHAF O=C1NC(=O)c2c1c(-c1ccsc1)cc1[nH]c3ccc(O)cc3c21 34804051 IIPGMZMOBHBGDA-UHFFFAOYSA-N 334.356 3.639 0 1 EHAF FCCCc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1 40828353 ROTDEDNYANYXDF-PMACEKPBSA-N 329.415 3.697 0 1 EHAF O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1CN1CCCC1 49807727 DYBCOZZMFLAVMC-UHFFFAOYSA-N 333.435 3.733 0 1 EHAF Clc1ncnc2c1ncn2[C@H]1C[C@H]2C[C@@H]1C[C@@H]2Oc1ccccc1 84603471 YOXQIXMBQWBFFM-UXOAXIEHSA-N 340.814 3.898 0 1 EHAF COc1ccc(Br)cc1-c1cc(=O)c2c(O)cccc2o1 96923894 RAAKYJSRVYAVJH-UHFFFAOYSA-N 347.164 3.937 0 1 EHAF CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H]2OC(=O)CCC/C=C\C[C@@H]21 100758812 LJEHYEYWZYPKKY-YUOXZBOXSA-N 334.456 3.731 0 1 EHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc(C)n1 101870070 FQYARWLCOUXURS-XMGGNUPJSA-N 344.411 3.591 0 1 EHAF C[C@H](COc1cc(F)ccc1F)NC(=O)[C@]1(C)C[C@@](C)(Cl)C1 144005847 LAQLQYUJXGLRHS-GTTSAUCSSA-N 331.790 3.646 0 1 EHAF CC(C)NC[C@@H](O)COc1ccc(Oc2ccc(Cl)cc2)cc1 169318902 ZKJBNZJQDMLNQN-OAHLLOKOSA-N 335.831 3.870 0 1 EHAF C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CC(=O)NC1 238752915 VQRQNLURKYFYFP-DYLQCGAMSA-N 331.456 3.686 0 1 EHAF O=C1C[C@@H](c2noc3ccccc23)C(=O)N1c1ccc(Cl)cc1 299830850 YDONWMSHUXSQCE-ZDUSSCGKSA-N 326.739 3.528 0 1 EHAF COC(=O)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1OC 586886994 HDLZGOZSJGIDRU-YCRPNKLZSA-N 348.402 3.730 0 1 EHAF CC[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1=O 586991988 SHBDGQRWKQMDBW-JTQLQIEISA-N 329.355 3.917 0 1 EHAF O=C(N[C@H](c1ccccc1)c1nc2cc(F)cnc2[nH]1)c1ccccc1 587217765 FPPODFQAXJETRF-QGZVFWFLSA-N 346.365 3.616 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(OCC3CC3)c1)O2 587399948 NZBPGUMNCQCTON-GOSISDBHSA-N 339.391 3.778 0 1 EHAF C/C(=C/[C@]1(c2ccsc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C 587413928 RDLQDDZNCGMSGM-RKWFYDHTSA-N 342.464 3.965 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nc3sc(C)cn13)O2 587414614 NNRJZVQRLJMNBN-AWEZNQCLSA-N 327.409 3.610 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCF)cc1)[C@@H](C2)C3=O 587424734 TUTFPPOZYRAXIC-KXBFYZLASA-N 328.339 3.532 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(C)cc4)c1)[C@@H](C2)C3=O 587429740 AMUWFLJLFHZCAS-LAUBAEHRSA-N 346.386 3.678 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnn(C)c1-c1ccccc1)[C@@H](C2)C3=O 587433616 ZOLYLRCFSNDXBK-YCRPNKLZSA-N 346.386 3.584 0 1 EHAF COc1cc2c3c(c1)O[C@](Cc1ccncc1)(C(C)(C)C)[C@@H](C2)C3=O 587436707 RXDCSWPIUBSBOV-KKSFZXQISA-N 337.419 3.865 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4c(OC)cccc14)[C@@H](C2)C3=O 587438794 QYZWHSKPVDKOMM-RBZFPXEDSA-N 335.359 3.674 0 1 EHAF CCCC(=O)O[C@@H](C)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587482815 JNLGLCSRJXPMLP-HXPMCKFVSA-N 334.412 3.800 0 1 EHAF O=C1C[C@@H](c2ccn(CC(F)F)n2)Oc2c1ccc1c2CCCC1 587505546 LVVYINPQGSTFQR-INIZCTEOSA-N 332.350 3.734 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cnccc32)N1 587778392 MTJMLRFTOYIOTE-BMLIUANNSA-N 347.231 3.707 0 1 EHAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc4ncccc4c3[nH]2)cc1 587938125 SRSLUOXSPAUQAR-HXPMCKFVSA-N 333.391 3.957 0 1 EHAF CC1(C)[C@@H]2OCC[C@H]2[C@]12NC1(CC1)Cc1ccc(Br)cc12 961314779 ANLXIWRJICEZRB-DDUZABMNSA-N 348.284 3.768 0 1 EHAF Cc1[nH]c([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)c(C)c1C(=O)O 963113582 UTCAYCZXTUSYRF-VLIAUNLRSA-N 342.414 3.753 0 1 EHAF O=C(O)c1cccc2c1CCN[C@@]21CCCc2[nH]c3ccccc3c21 963136097 XZEZLVGRCWJWGD-NRFANRHFSA-N 332.403 3.592 0 1 EHAF NC(=O)c1ccc2cc(C(=O)Nc3cccc4[nH]ccc34)sc2c1 1857541036 XGYIKWHOZUKCLA-UHFFFAOYSA-N 335.388 3.734 0 1 EHAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CCCCCCC(N)=O 2356467977 MQRNEORINXRRAS-BZSNNMDCSA-N 337.504 3.905 0 1 EHAF CC(C)=CCCC1=CCC[C@@](C)(O)[C@@H](CCC(C)=CCO)OC1=O 2356571692 ZHZXKFJCBPWBER-UYAOXDASSA-N 336.472 3.835 0 1 EHAF CC[C@H]1CC(=O)[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356608134 FUMGFDQTISKFTC-NBONFDLQSA-N 332.484 3.630 0 1 EHAF CCN(CC)[C@@H](c1ccc(F)cc1)c1nnnn1C1CCCCC1 4190583 QJAPSJNDLPSYOR-KRWDZBQOSA-N 331.439 3.749 0 3 EHAF CCCNC(=S)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 12481376 LLXNZOXXRXBPLI-AYHJJNSGSA-N 349.519 3.585 0 3 EHAF COc1ccc(Cl)c(-c2cc(C(=O)Nc3ccccc3)[nH]n2)c1 61904568 BVJZHCMZRGXPNB-UHFFFAOYSA-N 327.771 3.991 0 3 EHAF O=C1CCSc2c1cccc2C(=O)NCc1cccc(Cl)c1 6841653 VEEJNSFWVUGAER-UHFFFAOYSA-N 331.824 3.949 0 1 EHAF C[C@@H](NC(=O)c1ccc(-n2cnc3cccnc32)cc1)c1ccccc1 6900629 ISZIMZMAUXEMRM-OAHLLOKOSA-N 342.402 3.912 0 1 EHAF O=C(NCCc1c[nH]c2ccc(O)cc12)Oc1ccc(Cl)cc1 14979784 POLXQQBRCVCAPY-UHFFFAOYSA-N 330.771 3.858 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2cccnc2)/C1=C(\O)OC(C)(C)C 27561150 CEXGBWBECURUAJ-LBFFYKKLSA-N 331.372 3.733 0 1 EHAF COc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)cc1 28567283 OELGLQGRQPMEBP-UHFFFAOYSA-N 335.285 3.842 0 1 EHAF Clc1cc(N2CCNC[C@@H]2Cc2ccccc2)cc2cc[nH]c12 53295143 QWWBXRLAEPLMHV-KRWDZBQOSA-N 325.843 3.842 0 1 EHAF O=C(Nc1cccc(-c2cnc3cc(Cl)ccn23)c1)NC1CC1 116147299 HUIPNSHEKKIBLB-UHFFFAOYSA-N 326.787 3.939 0 1 EHAF 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CC[C@@H]1CC(c2ccc3nc(-c4cccs4)oc3c2)=NNC1=O 168587560 LWRSLMALNXUIBC-SNVBAGLBSA-N 325.393 3.807 0 1 EHAF CNc1ncc(-c2ccnc(Nc3ccccc3)n2)c(CC2CC2)n1 200573017 LEIZJNDAZKJPJU-UHFFFAOYSA-N 332.411 3.671 0 1 EHAF C/C=C(/C)C(=O)OC[C@@]1(O)CC[C@@H](C(C)C)[C@@H]2[C@@H](C(C)=O)CC[C@H]21 238752585 HCLBHWFWGBSTRW-AKNVQEEESA-N 336.472 3.524 0 1 EHAF Brc1c[nH]c2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc-2n1 586885459 UZLFEHFAPPPDHR-SPTRTOBYSA-N 333.233 3.535 0 1 EHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Cl)nccc2[nH]1 587147457 NYYKNFSFZGFMOC-UHFFFAOYSA-N 345.740 3.957 0 1 EHAF CCC(CC)C(=O)c1c(CO)oc2cc(Br)cnc12 587272808 CAVIFFGVHVLEJF-UHFFFAOYSA-N 326.190 3.702 0 1 EHAF CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587439758 CTJNCCNICSHCME-VLIAUNLRSA-N 340.375 3.591 0 1 EHAF COc1cc(O)cc(-c2cccc(-c3nc4ccnc(O)c4[nH]3)c2)c1 587931215 GDEHLJUIBQTXIP-UHFFFAOYSA-N 333.347 3.712 0 1 EHAF CCOc1cc([C@H]2NCCc3c(C)ccnc32)ccc1OC(F)F 963067300 JBTZKHOKFVISFY-MRXNPFEDSA-N 334.366 3.625 0 1 EHAF 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EHAF COc1ccc2c(c1)c1c(n2C)CCCC[C@H]1CNC(=O)C1CCC1 13777925 WNVVZZPYUDKRJW-HNNXBMFYSA-N 340.467 3.913 0 1 EHAF CC(C)=CCN1CC[C@]23CCCO[C@@]2(C)[C@H]1Cc1ccc(O)cc13 169347133 BCIATMCCZLQGBP-HKBOAZHASA-N 327.468 3.796 0 1 EHAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@]4(C)[C@H]3CC[C@]12C 169364318 QMLITUVHFWKQTB-FCOYLTGOSA-N 347.499 3.829 0 1 EHAF Cc1cc(N)nc(CCc2cc(F)cc(CCCN(C)C)c2F)c1 1857584680 ZUJBVDNPPNRQBW-UHFFFAOYSA-N 333.426 3.530 0 1 EHAF CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)N1CCCCCCC(=O)O 13488378 XOPMUDZOEKPBQZ-XJFGHQHYSA-N 339.476 3.510 0 1 EHAF CC(C)c1ccc2nc(SCCNC(=O)N(C)O)sc2c1 13650921 IOVMZSXGLGLOEK-UHFFFAOYSA-N 325.459 3.542 0 1 EHAF CC(C)(C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1 13725243 LEJZAEYQPAMOEC-UHFFFAOYSA-N 347.503 3.539 0 1 EHAF Cc1noc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1 13863839 RFMPOLCSSNYYIM-UHFFFAOYSA-N 331.368 3.860 0 1 EHAF C[C@@H]1CC[C@@H]2CC(=O)O[C@@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@]32O4 26825391 BLGPIPDZAGONIW-ZSBOHZQESA-N 342.435 3.830 0 1 EHAF OCCNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1 27524437 IDYORHLXHWWCGG-UHFFFAOYSA-N 348.381 3.835 0 1 EHAF O[C@@H](CCN1CCC(c2ccccc2)CC1)COc1ccccc1 29482448 JGNITARUMMVCIS-FQEVSTJZSA-N 325.452 3.696 0 1 EHAF CSc1nc(N)nc(-c2cccc(-c3ccc4[nH]ccc4c3)c2)n1 36124135 LXETVWABBHSXHN-UHFFFAOYSA-N 333.420 3.991 0 1 EHAF COc1ccc([C@H]2CN3C(=NC[C@@H]3C)N2CCCc2ccccc2)cc1 49803301 CUHYETJRLNATCY-LAUBAEHRSA-N 349.478 3.745 0 1 EHAF COc1cc(/C(=C/c2ccc(C)cc2)[C@@H](C)O)cc(OC)c1OC 71329163 SBKPPRVVMDLJOG-NGWPFTMJSA-N 328.408 3.942 0 1 EHAF COc1cccc2c3c([nH]c12)C[C@H]1C[C@@]3(c2cccc(O)c2)CCN1C 100768794 ZIOKSJYZYLYKRX-OYHNWAKOSA-N 348.446 3.819 0 1 EHAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC)cc3)oc2c1 168823816 FSYZIGUKYWOTFF-LBPRGKRZSA-N 349.390 3.754 0 1 EHAF CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H]2OC(=O)CCC/C=C/C[C@@H]21 169290053 LJEHYEYWZYPKKY-HDKHACNSSA-N 334.456 3.731 0 1 EHAF C/C=C/C=C/C=C(\CO)[C@H](OCc1c(O)cccc1CCC)[C@H](C)O 221082521 XKIAQQKVGCCNKN-OSNCNPBWSA-N 346.467 3.662 0 1 EHAF CC1([C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)NN1 253644966 JHDIOWXROSUEFV-YGJNQFLQSA-N 330.516 3.750 0 1 EHAF CN1CCN(c2ccc3[nH]c(-c4ccc(Cl)cc4)nc3c2)CC1 587068592 CWAPJHGBKKOZDP-UHFFFAOYSA-N 326.831 3.635 0 1 EHAF Oc1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587076941 PQOPATOOYJPNMN-UHFFFAOYSA-N 340.770 3.757 0 1 EHAF COc1cccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 587156025 KUZMNBZINIELSU-GOSISDBHSA-N 325.343 3.502 0 1 EHAF Fc1nc(Cl)ccc1-c1nc2ccnc(Br)c2[nH]1 587177713 VMDYQEGBSLBBLI-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF CCS(=O)(=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587216515 CYTIOBAMJITLKR-UHFFFAOYSA-N 338.432 3.762 0 1 EHAF N[C@@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)c1cccc2ccccc12 587259237 ZHIPGASINDZTPF-INIZCTEOSA-N 327.391 3.835 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccccc3F)c1)O2 587385170 MLCAYRSSCHSNCG-GOSISDBHSA-N 337.354 3.609 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ncc(F)cc1Cl)[C@@H](C2)C3=O 587429060 STHQFVINPXATMK-GTNSWQLSSA-N 333.746 3.546 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(C(=O)O)c1)CC2=O 587466090 JPBRUUQQDMWENJ-KRWDZBQOSA-N 344.338 3.889 0 1 EHAF O=Cc1cc(C=O)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525328 ODIRLCZOTONZRE-FQEVSTJZSA-N 334.371 3.897 0 1 EHAF CC(=O)c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622416 MTDNLRRMXMQMMX-UHFFFAOYSA-N 328.116 3.947 0 1 EHAF Cc1c(-c2ccnn2C)[nH]c2c1c(Br)cc1n[nH]cc12 587622600 DHTBHYPYEZKHLQ-UHFFFAOYSA-N 330.189 3.516 0 1 EHAF Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2cc(F)ccc12 587636082 ZFYMCNJDNRYIBI-UHFFFAOYSA-N 326.371 3.749 0 1 EHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1 587786988 UAYYGOREBPCTDD-CHWSQXEVSA-N 328.318 3.785 0 1 EHAF CC(C)O[C@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587810268 KCGGNHWMQXTZFM-HICWGWBUSA-N 342.252 3.905 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCOCC2)N1 587837110 ZKTCDXNZFAQFCK-PSLIRLAXSA-N 328.225 3.590 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCSC2)N1 587857997 NRRNRBJIZNOYAD-YMTOWFKASA-N 330.266 3.845 0 1 EHAF COc1cccc([C@H](C)Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 587929522 BMRFURCRRNGABZ-CYBMUJFWSA-N 337.423 3.620 0 1 EHAF Cc1cc2c(n1-c1cc(C(=O)O)ncc1Br)CCCC2 587941572 QBCSQGVWERGMQN-UHFFFAOYSA-N 335.201 3.520 0 1 EHAF Cc1cccc(Cl)c1NC(=O)c1cc(-c2cccnc2)cnc1N 1857602684 HTXYQRPKMBDODF-UHFFFAOYSA-N 338.798 3.940 0 1 EHAF C[C@@H](N)c1csc(NC(=O)c2cccnc2Oc2ccccc2)n1 1857605182 OBQWIRYRBIJQNK-LLVKDONJSA-N 340.408 3.602 0 1 EHAF CC=C(C)C(=O)O[C@H](C)c1cc2c(cc1OC)OC(=C(C)C)C(=O)O2 2356587249 FFIALSMUEXIKJC-GFCCVEGCSA-N 346.379 3.857 0 1 EHAF COc1cccc(C[C@]2(CO)CCCN(Cc3ccc(C)s3)C2)c1 13594426 QJEVCKXGZCIPED-HXUWFJFHSA-N 345.508 3.882 0 3 EHAF CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4296320 SAZDOYSOSRVVEC-RDJZCZTQSA-N 346.789 3.659 0 1 EHAF CC(C)(O)[C@H]1Cc2c(ccc3c2O[C@H](c2ccc(O)cc2)CC3)O1 13379898 RXOBZEGNJOADLO-FUHWJXTLSA-N 326.392 3.533 0 1 EHAF biogenic c1ccc2c(c1)CCc1c-2n(CCN2CCOCC2)c2ccccc12 31872428 RQQICBVJVOOZOB-UHFFFAOYSA-N 332.447 3.739 0 1 EHAF CN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2)OC1=O 40763362 FAAKNKIWDWKFCM-IBGZPJMESA-N 342.414 3.669 0 1 EHAF CCCCCCOC(=O)C1=NO[C@H](CCCC[C@H]2CCC(=O)O2)C1 40955283 RYUJHDWBLOLTGH-LSDHHAIUSA-N 339.432 3.521 0 1 EHAF Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C)cc1CN1CCOCC1 45291465 DJDCZALMEJMMLS-LPHOPBHVSA-N 330.472 3.592 0 1 EHAF O=C(CN1CCCCC1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 49125868 OSZMBXLYQQWHBX-UHFFFAOYSA-N 334.423 3.654 0 1 EHAF [O-][n+]1nc2c(-c3ccsc3)cnn2c2cc(-c3ccco3)ccc21 71295683 CXOKPEBGQJEAIC-UHFFFAOYSA-N 334.360 3.504 0 1 EHAF COc1cc(Cl)ccc1O[C@@H](c1ccc(C)cc1)[C@H]1CNCCO1 87723714 QQHREAWMTUYOBO-MOPGFXCFSA-N 347.842 3.766 0 1 EHAF in-vitro O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc([C@H]2CCNC2)cc1 117723915 UZIHSWAETLBUMR-HNNXBMFYSA-N 348.368 3.964 0 1 EHAF O=c1[nH]c2ccc(O)c(-c3ccc4cn[nH]c4c3)c2c2ccsc12 165951635 CZGLYGAHZNUYMY-UHFFFAOYSA-N 333.372 3.992 0 1 EHAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12 226063113 JCWDLMMDEICJNN-GFCCVEGCSA-N 325.387 3.845 0 1 EHAF O=c1[nH]c2ccccc2n1C1CCN(Cc2cccc(Cl)c2)CC1 302812611 YAQUJRLWZVTGPE-UHFFFAOYSA-N 341.842 3.820 0 1 EHAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(C(=N)N)cc2[nH]1 587011122 GZPCEZNEXVOECZ-UHFFFAOYSA-N 347.447 3.870 0 1 EHAF Fc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1F 587085507 WZLFBNLNEJJQTI-UHFFFAOYSA-N 349.772 3.669 0 1 EHAF C[C@H](F)[C@H](N)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587122250 CEDMUXQAFQGGLO-NVNXEXLPSA-N 340.118 3.702 0 1 EHAF COc1ccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1 587212663 CBJFQZUIBNHOMG-SFHVURJKSA-N 329.399 3.989 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cc(Cl)ncc14)[C@@H](C2)C3=O 587420899 MWTAWBQLNPZRDD-XTZNXHDOSA-N 340.766 3.714 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cl)c1O)[C@@H](C2)C3=O 587421529 MYXSQMLLLMFJLK-VOJFVSQTSA-N 346.766 3.552 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](C)Oc4ccc(F)cc41)[C@@H](C2)C3=O 587428645 PKSQODHFYKUHAQ-PGASGAKPSA-N 340.350 3.648 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(OC)c(C)c1)[C@@H](C2)C3=O 587445410 YRBLWGHRXYVKOX-KKSFZXQISA-N 338.403 3.983 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1sc(Cl)nc1Cl)[C@@H](C2)C3=O 587452678 SQONCVOFNXUDBX-WRWORJQWSA-N 342.203 3.947 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3o[nH]c(=N)c3c1)CC2=O 587473524 WXNBVZQVTOSOPH-KRWDZBQOSA-N 338.363 3.605 0 1 EHAF CC(C)COc1cccc(OCc2nc3ccc(CCO)cc3[nH]2)c1 587565667 HNTKBGRMEOYNEK-UHFFFAOYSA-N 340.423 3.712 0 1 EHAF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587770357 IVPWMYDEYLSVAC-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cscn2)N1 587857267 ZHSUMSXDMPCQPR-CLAHSXSESA-N 341.249 3.842 0 1 EHAF COc1cc(OC)c2[nH]c(C3CCC(OC[C@@H](C)OC)CC3)nc2c1 587951611 HQLSYFOHBCNMNQ-IYXRBSQSSA-N 348.443 3.658 0 1 EHAF N=c1[nH]c2nc([C@@H](Cc3ccccc3)c3ccccc3)nc-2c(Cl)[nH]1 587956297 RDKQOCXGVIDMKM-AWEZNQCLSA-N 349.825 3.745 0 1 EHAF O[C@@H]1CCC[C@@]2(C1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962629120 IUWGGRFWVAOZPL-QZNHQXDQSA-N 348.490 3.564 0 1 EHAF O=C(Nc1ccccc1O)c1ccccc1-n1cc2ccccc2n1 1772646115 MHFJNGNLGICLSO-UHFFFAOYSA-N 329.359 3.983 0 1 EHAF COc1cc(O)c2c(c1)C=CCCC[C@H](O)CCC[C@@H](C)OC2=O 2356332861 JVYBAZCPWDLGCX-HIFRSBDPSA-N 334.412 3.674 0 1 EHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)C(=O)[C@H](O)[C@]2(C)C(C)=CCC[C@@H]12 2356695657 QBTMVLQTZBMTNE-GOKSDJKOSA-N 334.456 3.746 0 1 EHAF CCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21 3815554 URPMELUGCLZPCA-UHFFFAOYSA-N 349.221 3.758 0 1 EHAF CCCOc1ccc2c(=O)c3c(C)nn(-c4cccc(N)c4)c3oc2c1 12405809 CNVCMHBGCYLUSY-UHFFFAOYSA-N 349.390 3.811 0 1 EHAF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@@H]1[C@H](O)C2=O 13302477 DLFBGJCOHIZRGA-HBFSDRIKSA-N 332.440 3.862 0 1 EHAF biogenic COc1ccc(CCc2cc(OC)c(OC)cc2CCN(C)C)cc1 14677100 GLQDCKDJEAPNLG-UHFFFAOYSA-N 343.467 3.602 0 1 EHAF biogenic O[C@@H](c1ccccc1)c1ccc(OCCO[C@@H]2CCCCO2)cc1 26390644 SNTZEXZITQEAJL-UXHICEINSA-N 328.408 3.690 0 1 EHAF CC[C@@]12C[C@@H](O)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12 40892961 KVPALVACWJUWHG-BRKWEVRTSA-N 338.447 3.645 0 1 EHAF COc1cc(CCN[C@@H](C)COc2c(C)ccc(C)c2C)ccc1O 66165949 SNGIWJYURJJXFS-INIZCTEOSA-N 343.467 3.926 0 1 EHAF COc1ccc(C2=C(c3ccc(Br)cc3)COC2=O)cc1 72114709 ZQZFXLWYQUFMEG-UHFFFAOYSA-N 345.192 3.925 0 1 EHAF COc1ccc([C@H](Nc2cc(C)on2)P(=O)(OC)OC)cc1 103299943 FCJRHYWFAIJQOX-CQSZACIVSA-N 326.289 3.588 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3ccc(O)cc3CC[C@H]21 117623466 MUKAIKNFWZOKFG-YLJYHZDGSA-N 347.418 3.603 0 1 EHAF C[C@H](Nc1ncc(F)c(N2C(=O)OCC2(C)C)n1)c1ccccc1 142097082 AKFBVHMVWNRKJO-NSHDSACASA-N 330.363 3.524 0 1 EHAF COc1ccc(CN2CCCC=CCC(Cl)(Cl)C2=O)cc1 254127459 ADBRZPZCJJOCNX-UHFFFAOYSA-N 328.239 3.938 0 1 EHAF Nc1nc(Cc2cccc(Cl)c2)nc2cn(-c3ccccc3)nc12 299824223 BJJUMMKMXHQMAJ-UHFFFAOYSA-N 335.798 3.642 0 1 EHAF COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(OC)c2[nH]1 587066354 AUXQESRMKPAQQK-UHFFFAOYSA-N 346.770 3.625 0 1 EHAF Fc1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587085387 VIYDZIJLSULILL-UHFFFAOYSA-N 331.782 3.529 0 1 EHAF Cc1ccc2c3c(cc(-c4c[nH]c(=N)o4)nc13)-c1ccccc1C2=O 587099042 WFUUFEYJVTVYFX-UHFFFAOYSA-N 327.343 3.822 0 1 EHAF CCCc1nc(-c2nc3cc(O)ccc3[nH]2)nn1-c1ccccc1F 587156834 SMDVZHGQZASFFI-UHFFFAOYSA-N 337.358 3.608 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ncc(C(F)(F)F)s1)[C@@H](C2)C3=O 587424393 YPMSXMAFERQRAK-SDBXPKJASA-N 341.310 3.659 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCSc4ccc(F)cc41)[C@@H](C2)C3=O 587427893 KYWDBHPBRDMUDK-LIRRHRJNSA-N 342.391 3.973 0 1 EHAF COCCn1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513830 URNBQFZDUPCMEO-IBGZPJMESA-N 325.408 3.720 0 1 EHAF O=C1CC(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587527444 WFZPGOPRKPTZMV-QFIPXVFZSA-N 346.382 3.582 0 1 EHAF COC(=O)C[C@@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587534071 VKSYBSIRVVQGAI-HXUWFJFHSA-N 340.375 3.582 0 1 EHAF C[C@]1(c2ccns2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620358 YKTNVCWAVRJWIQ-MAUKXSAKSA-N 339.372 3.726 0 1 EHAF CCOC(=O)Cc1[nH]c2cc(F)ccc2c1NC(=O)OC(C)(C)C 587636014 XHLWELFRGDDYJZ-UHFFFAOYSA-N 336.363 3.760 0 1 EHAF COC[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792697 MDMSCXXYOCJNRV-ZUZCIYMTSA-N 330.241 3.620 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)o2)N1 587830778 URKXZXZMYQOHGA-AYVTZFPOSA-N 338.176 3.617 0 1 EHAF Cc1nscc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587854057 BFEUBWPFPJDILB-WJWGPLDTSA-N 341.249 3.977 0 1 EHAF N[C@@H](N=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 587970507 IWCULGRUIZVMLZ-SFHVURJKSA-N 348.406 3.716 0 1 EHAF CC(C)O[C@]1(c2ccccc2)Sc2ccccc2-n2c1noc2=O 653888072 USBJZXFGAJRZRY-GOSISDBHSA-N 340.404 3.557 0 1 EHAF NC(=O)c1cccc(-c2cn(CCC(F)F)c3cc(N)ccc23)c1 1857614481 YKXVTIVYKKHGJY-UHFFFAOYSA-N 329.350 3.645 0 1 EHAF CC(=O)CCCCCCC[C@H](C[C@@H]1C(=O)O[C@@H](C)[C@H]1O)C(C)C 2356772721 HDNGESHGKXJWJR-XWTMOSNGSA-N 326.477 3.891 0 1 EHAF COc1ccc([C@H](CC(=O)Nc2nccs2)n2cccc2)cc1 4076996 RNYXEDXOIPJGGW-HNNXBMFYSA-N 327.409 3.571 0 3 EHAF Cc1cccc(C[C@H](C)NC(=O)c2oc3c(F)cccc3c2C)n1 12320888 BFVDDSCJDPSGBJ-LBPRGKRZSA-N 326.371 3.945 0 3 EHAF COc1ccc(Cl)cc1-c1cc(C(=O)Nc2ccccc2)[nH]n1 61926172 JHCJEXLPULRJCD-UHFFFAOYSA-N 327.771 3.991 0 3 EHAF CCCC(=O)O[C@@]12CCCN(C1)/C(=C/c1cccc(N(C)C)c1)C2 96018835 GBPICQLCKDRFLK-ITICKHJUSA-N 328.456 3.675 0 3 EHAF C[C@H](OC(=O)c1cnc(Cl)cn1)c1ccc(Br)cc1 6487608 XZTOJSZITMEHDB-QMMMGPOBSA-N 341.592 3.811 0 1 EHAF CN(CCCn1cnc2c([nH]c3ccccc32)c1=O)C1CCCCC1 6809310 PJAYHZBWYHLMNG-UHFFFAOYSA-N 338.455 3.532 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4c(C)c3C[C@H](O)[C@@H]21 14513269 UHOFRCHUGIPZNH-XIGKFDRGSA-N 342.435 3.895 0 1 EHAF biogenic CCOc1ccc(CC[C@@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1 35013119 XMEHOOMFXJOHHO-FQEVSTJZSA-N 330.424 3.853 0 1 EHAF C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]21CC[S@@](=O)O1 40504285 KZBPBSNZQZMJOK-LQOMHORXSA-N 348.508 3.951 0 1 EHAF Cc1ccc(-c2nc3cc(NC(=O)CN4CCCCC4)ccc3[nH]2)cc1 72108795 KTZOASDZBUOXAH-UHFFFAOYSA-N 348.450 3.963 0 1 EHAF O=C(Cn1c(=O)oc2ccc(-c3ccccc3)cc21)Nc1ccccc1 84733755 NTUIWWZJCSZHQA-UHFFFAOYSA-N 344.370 3.900 0 1 EHAF COc1ccnc(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1 145281979 JEQMDTXMIFWYMP-UHFFFAOYSA-N 343.408 3.975 0 1 EHAF O=C(Nc1nc2ccccc2s1)c1cc(Oc2cncnc2)ccn1 167486586 VNLINFXLNHMGDM-UHFFFAOYSA-N 349.375 3.526 0 1 EHAF Cn1nc2c(c1-c1ccco1)-c1nc(Nc3ccccc3)ncc1CC2 169702240 LTJRERYAWVWEMY-UHFFFAOYSA-N 343.390 3.979 0 1 EHAF CC1(C)OC(=O)C[C@@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 586909046 KWCKUOGCKYJMTG-OAHLLOKOSA-N 336.391 3.951 0 1 EHAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(CC)cc2[nH]1)C(C)C 586933494 SXCJDNTXRLRAGU-MRXNPFEDSA-N 337.489 3.542 0 1 EHAF Cc1cc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2c(C)n1 586983850 JYDHDNGVVGGQDZ-CYBMUJFWSA-N 345.244 3.580 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(F)cc(F)c3O)nc2c1 587134648 SUVDOLAFNXMWEI-UHFFFAOYSA-N 338.697 3.654 0 1 EHAF Nc1cccc(O)c1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587251021 WNHABLGYYKKHNQ-UHFFFAOYSA-N 344.243 3.567 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3cnccn3)c1)O2 587394027 POHIHRYYMCPLQJ-GOSISDBHSA-N 347.374 3.866 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCC3)nc1)O2 587397511 BITGPSOAVGQRJF-SFHVURJKSA-N 337.423 3.669 0 1 EHAF CCN(CC)c1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 587412655 JWDBNQYWIIJUAG-CQSZACIVSA-N 331.441 3.586 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(CC(F)F)c1)CC2=O 587464973 DDLRXTMPIRJCEU-OAHLLOKOSA-N 336.338 3.513 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)ncn3C)CC2=O 587474145 BXORKYVDZSVTGS-IBGZPJMESA-N 336.391 3.938 0 1 EHAF C[C@@]1(c2ccc(NC(=N)N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587509681 DUGNXVSATNSBIJ-NRFANRHFSA-N 349.434 3.751 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCOC2)N1 587835498 PEJRYXSGZUSJGK-XAGWURHQSA-N 342.252 3.764 0 1 EHAF O=C(Cc1cn2ccsc2n1)n1nc2cc1Oc1ccc(F)cc1-2 587877152 ZCAOHDOJBQTCOJ-UHFFFAOYSA-N 340.339 3.387 0 1 EHAF Cc1cccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)c1C 621430507 XKIRCDNMCDNAMT-LJQANCHMSA-N 349.430 3.897 0 1 EHAF C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963108413 PCNRITQCQQFICE-OWZDWXTDSA-N 348.462 3.975 0 1 EHAF COc1ccccc1CN1C[C@@H](C2CC2)N(C(C)=O)c2ccccc21 1857762797 ZPDGQUMBUIPPPL-FQEVSTJZSA-N 336.435 3.847 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@@H](C)[C@]12C 2356672900 BEWHLKZJDNKMGM-UBEDIWPWSA-N 346.423 3.748 0 1 EHAF CCC(=O)Nc1cccnc1SC[C@H]1CCCN2CCCC[C@H]12 2356729484 KNOFQEOCUDMJBE-GDBMZVCRSA-N 333.501 3.787 0 1 EHAF CN1[C@H](CCCCCCCCC(=O)O)C[C@@H](O)[C@H]1Cc1ccccc1 2356802479 SHNGUTOBVBMHGD-VAMGGRTRSA-N 347.499 3.868 0 1 EHAF COc1ccc(-c2csc([C@@H](O)c3ccc(OC)cc3)n2)cc1 61903994 VGFXTSVEGYOUJT-KRWDZBQOSA-N 327.405 3.909 0 3 EHAF COc1ccc2nc3sc(C(=O)NCc4ccccn4)cc3cc2c1 428366 DDDGEYSIKMEHFU-UHFFFAOYSA-N 349.415 3.783 0 1 EHAF COc1ccc(-n2ccnc(NCc3ccc(Cl)cc3)c2=O)cc1 6915058 XVEVESFESXZZPY-UHFFFAOYSA-N 341.798 3.507 0 1 EHAF COc1ccc2c3c([nH]c2c1)C[C@@H]1C[C@@]3(c2cccc(O)c2)CCN1C 13755995 OLISSJIVMPYVMP-IVZQSRNASA-N 348.446 3.819 0 1 EHAF CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)c(Br)c3)[C@@H]1C2 28127985 FQHSRAHYODRRKI-UHOFOFEASA-N 339.229 3.561 0 1 EHAF NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)c(Cl)c1 34872906 ZHQLAPAIVYANIR-UHFFFAOYSA-N 338.794 3.902 0 1 EHAF C[C@@H](O)[C@@](C)(CO)NCc1ccc2c3c(cccc13)-c1ccccc1-2 45303130 CITBKHXTICVSII-JLCFBVMHSA-N 333.431 3.709 0 1 EHAF CC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(CO)CCC1 66259084 HOBIAXIOWGPKND-XUHKJIGQSA-N 346.467 3.772 0 1 EHAF CN(Cc1ccccc1)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 82231748 UYLZJSBTZXVQPQ-UHFFFAOYSA-N 342.402 3.622 0 1 EHAF CC1=CN([C@H]2OC(=O)[C@@H]3[C@@H](C)CC[C@@H]3[C@H]2C)C(=O)[C@H]2[C@H](C)CC[C@@H]12 100782487 QTRZXLVUEGDULY-SWGBIGKASA-N 331.456 3.576 0 1 EHAF endogenous,in-man CCc1ccccc1NC(=O)[C@@H](CC)Sc1nc2cc[nH]cc-2n1 103901112 KROQVVGIEIJMNY-MRXNPFEDSA-N 340.452 3.981 0 1 EHAF Nc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 357905122 NSWZEZRLPBKYRH-UHFFFAOYSA-N 331.375 3.773 0 1 EHAF COc1cc(N2CC[C@@H](c3ccccc3)C2=O)ccc1-c1cnco1 584629200 AQPXDMHEBODRFE-INIZCTEOSA-N 334.375 3.871 0 1 EHAF C[C@H](SCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586960856 CTOIJDGBNFYUCK-NSHDSACASA-N 339.420 3.888 0 1 EHAF COc1nccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006459 NZTGSQAPKJOHTB-UHFFFAOYSA-N 343.184 3.649 0 1 EHAF FC(F)COc1cccc(-c2nc3c(cnc4ccccc43)[nH]2)n1 587125978 UTFLQSIQPIXXHC-UHFFFAOYSA-N 326.306 3.817 0 1 EHAF O=C(c1nc2c(O)cccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132439 AZOQJICWVRDQHA-UHFFFAOYSA-N 325.126 3.945 0 1 EHAF CC[C@H](Oc1ccccc1F)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587156526 UPOCSNHAHLDOTQ-HOCLYGCPSA-N 328.347 3.956 0 1 EHAF CN(C)c1ncccc1-c1nc2c(F)cc(Br)cc2[nH]1 587196185 RUJNEZHRDJNEPF-UHFFFAOYSA-N 335.180 3.593 0 1 EHAF CC(=O)SC[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587411118 XTQLFROUHYPENW-IBGZPJMESA-N 341.432 3.718 0 1 EHAF COC(=O)CCCC[C@H](C)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440836 BLQWLOZOAZKOCJ-PGICJIBASA-N 346.423 3.571 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1N)CC2=O 587473695 ZNYUJHXFPTWRFO-QGZVFWFLSA-N 327.380 3.642 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cn(CCC)nc1C)CC2=O 587477906 VOLHOGRQVZSOAR-SFHVURJKSA-N 328.412 3.966 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cncc3cnccc13)CC2=O 587491499 UAFPWYRDAWLBAJ-IBGZPJMESA-N 334.375 3.994 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)OCO3)CC2=O 587493175 SRDKCXMCKXDVOE-KRWDZBQOSA-N 326.348 3.780 0 1 EHAF CCCN1C(=O)[C@@](O)(c2c(C)[nH]c3cccc(F)c23)c2ccccc21 587636876 NDONKWMLMOBXIF-FQEVSTJZSA-N 338.382 3.608 0 1 EHAF Cc1cccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)c1C 587653461 AKKPTHOHVDMJTF-UHFFFAOYSA-N 343.839 3.912 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCC2=O)N1 587822681 LXNLSIKPTGECTQ-RDGWCUKFSA-N 340.236 3.707 0 1 EHAF COc1cccc([C@@H](C)Cc2nc3cc(OC)cc(OC)c3[nH]2)c1 587931246 MVTRVCALDKFKMQ-LBPRGKRZSA-N 326.396 3.935 0 1 EHAF CCOc1cc(=O)n(CCCO)c2c1C[C@H](CC=C(C)C)C(C)(C)C2 1857601966 ACANKMWQYGJOGF-INIZCTEOSA-N 347.499 3.727 0 1 EHAF O=C(O)[C@@H](Cc1ccccc1)Nc1nc(Cc2ccccc2)cs1 1857760175 NOHVBYCPTVXGOV-QGZVFWFLSA-N 338.432 3.842 0 1 EHAF Cc1c2ccc(N=c3[nH][nH]c4cccnc34)cc2nn1C1CCCC1 1857767882 VGQMBRDJEKPIHN-UHFFFAOYSA-N 332.411 3.897 0 1 EHAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 2356527373 FEFGOXRYWHWPMB-BBWFWOEESA-N 327.428 3.521 0 1 EHAF CC(=O)N1[C@@H](Nc2cccc3nc(C)ccc23)CCN1c1ccccc1 5553735 PWRMJQKBAQTMLS-OAQYLSRUSA-N 346.434 3.955 0 1 EHAF CC1=CC(=O)C[C@@H]2[C@@]13CC[C@H](C)[C@@]2(CCc1ccoc1)C(=O)OC3 15193726 JCWJBKPXVPKYIZ-DIHFKTGWSA-N 328.408 3.707 0 1 EHAF biogenic CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1C[C@@H](C)C[C@@H](C)C1 20900832 FZFCRDVQUCWIQO-BETUJISGSA-N 346.496 3.754 0 1 EHAF Cc1ccc2c3c(ccc2c1)OC(=O)C[C@H]3c1cccc(C(N)=O)c1 29151402 LCCVSUCWEOARCV-KRWDZBQOSA-N 331.371 3.688 0 1 EHAF Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(-c2cccnc2)n1 40896345 ANUQLOISWFPMCU-UHFFFAOYSA-N 337.354 3.901 0 1 EHAF CC(C)N1CCC[C@H]1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1 49072849 PDFSCOZKVDOMRV-SFHVURJKSA-N 348.450 3.874 0 1 EHAF c1ccc(CN2CC[C@H]3C[C@@H]2c2c3cccc2N2CCOCC2)cc1 95568800 IXLJECFNTNRRME-GHTZIAJQSA-N 334.463 3.958 0 1 EHAF Cc1cc(O)ccc1NC(=O)c1cc(N[C@H]2CCCC[C@@H]2C)ncn1 143894543 WZQDPWJAQKBVMX-WFASDCNBSA-N 340.427 3.734 0 1 EHAF Cc1ccc(O)cc1-c1nnc2c(C)nc3ccc(C(C)C)nc3n12 145724684 GZMAIQUXVJGBDN-UHFFFAOYSA-N 333.395 3.785 0 1 EHAF CCCCC[C@@H]1/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O1 169290089 PAPRKPWTFGPHGR-CHCORRSHSA-N 336.472 3.955 0 1 EHAF CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccc(OC)cc3F)cc21 205099457 XYICJUQUGFVFBM-UHFFFAOYSA-N 337.354 3.712 0 1 EHAF CC(=O)O[C@H](CCc1ccc(O)cc1)C[C@@H](O)/C=C/c1ccccc1 238785771 PMPAJIJYADFUOO-WCWNVHNDSA-N 340.419 3.721 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3C[C@H]4OC[C@@]5(CC[C@@H](O)C=C45)[C@@H]3CC[C@]12C 253637654 XHPCETFDAYEZPD-XIUIVYHRSA-N 330.468 3.504 0 1 EHAF FC(F)(F)c1ccccc1Cc1nc2c(S)nc(S)nc2[nH]1 587108392 PSXANQGXBVCNDZ-UHFFFAOYSA-N 342.371 3.540 0 1 EHAF Fc1cc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2cc1Cl 587117616 FYZCYWZQEZFBGE-UHFFFAOYSA-N 332.688 3.813 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4cccn4)cc1)[C@@H](C2)C3=O 587431173 IVYDLXQBNZCIMV-LAUBAEHRSA-N 346.386 3.544 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(N4CCCC4)c1)[C@@H](C2)C3=O 587441711 GVTNRJRWVNNEGA-LAUBAEHRSA-N 335.403 3.784 0 1 EHAF CC[C@]1(c2ccc3c(c2)CCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451558 IDKFRMMGVNMZNX-IIBYNOLFSA-N 336.387 3.683 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]ccc1C(=O)OCC)CC2=O 587480003 BQPWIDLLUTWCPI-MRXNPFEDSA-N 343.379 3.556 0 1 EHAF Cc1ccncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587776042 VTQVUEZELAHKQS-MGPLVRAMSA-N 335.220 3.915 0 1 EHAF c1ccc([C@@H]2Oc3ccccc3C3=NN[C@H](c4ccncc4)[C@@H]32)cc1 653869222 FODVSPVMCYTCET-ZVDOUQERSA-N 327.387 3.880 0 1 EHAF Cc1cc2c(cc1F)[C@@]1(CCCc3c1[nH]c1cc(N)ccc31)NCC2 962142804 GADLPGMQUDGKFO-OAQYLSRUSA-N 335.426 3.923 0 1 EHAF Cc1cc2c(cc1F)[C@](C)(c1cccc3c1OC(F)(F)O3)NCC2 962145560 MTEAGMUFDGBHDZ-KRWDZBQOSA-N 335.325 3.865 0 1 EHAF Cc1cc([C@@H]2c3ccsc3CCN2Cc2cccn2C)cnc1O 962374375 PJSRQEIKQPADCG-GOSISDBHSA-N 339.464 3.643 0 1 EHAF COc1ccc(-c2cc(C(C)=O)ccc2OCc2cccnn2)cc1 1857652266 CXDVQTGNRGHUGI-UHFFFAOYSA-N 334.375 3.934 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C[C@]2(C)CC[C@H](C(C)C)[C@@]2(O)CC[C@@]1(C)O 2356631897 SARMJLPHTLNPQI-AFKBCAQJSA-N 338.488 3.603 0 1 EHAF COc1cc(O)c2c(=O)cc(-c3cccc(Cl)c3O)oc2c1OC 2356717230 KSGUTUDWMNAPFY-UHFFFAOYSA-N 348.738 3.542 0 1 EHAF O=C(NC[C@@H]1CCCO1)c1ccc(CSCc2cccc(F)c2)o1 3059426 XSTXRXKYECBZAA-HNNXBMFYSA-N 349.427 3.761 0 3 EHAF CCCN1CCCC[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C1=O 199262415 YDWOGDXNGPYRSL-CQSZACIVSA-N 343.254 3.514 0 3 EHAF Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C1CCCC1 8581934 UDUPSRWUDACGIS-UHFFFAOYSA-N 329.791 3.550 0 1 EHAF COc1c(O)ccc(-c2cc3cc(CCCO)ccc3o2)c1OC 13339724 FLTQNWACIPUEHP-UHFFFAOYSA-N 328.364 3.748 0 1 EHAF biogenic S=C(NCCc1c[nH]c2ccccc12)SCc1ccncc1 13679683 FYXOPDJEUUOAMA-UHFFFAOYSA-N 327.478 3.913 0 1 EHAF O=C(O)CCc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 13826757 AOOOZXBUFXKFSN-UHFFFAOYSA-N 332.762 3.894 0 1 EHAF COc1cc2[nH]c(=S)n(CC(C)(C)C)c(=O)c2cc1-c1cnco1 28130323 IVGQMXRNGJSDEN-UHFFFAOYSA-N 345.424 3.769 0 1 EHAF CCCc1ccc(C(=O)c2c(SC)cc3n2CC[C@@H]3C(=O)O)cc1 28225762 JOLXDRUKYBGLTD-AWEZNQCLSA-N 343.448 3.965 0 1 EHAF CCCN(CCC)[C@@H]1COc2c(Br)ccc(OC)c2C1 29328747 NERSQIIOBKTUFP-LBPRGKRZSA-N 342.277 3.883 0 1 EHAF CCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)ccc12 34849608 SINOAJABUYKIPC-UHFFFAOYSA-N 333.317 3.725 0 1 EHAF O=C(C1CCCC1)N1CCC[C@@H]1c1nc(-c2cccc(F)c2)no1 71334393 HWSQYUSRWUZBPM-OAHLLOKOSA-N 329.375 3.729 0 1 EHAF CCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCCC3)cc21 84758167 HOZSGYAJHGPPBQ-UHFFFAOYSA-N 346.402 3.629 0 1 EHAF COc1ccc(CCO[C@H]2CCCC[C@H]2N2CCCC2)cc1OC 142261421 GFEAFIVEZCBUNS-MSOLQXFVSA-N 333.472 3.670 0 1 EHAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C/C[C@@H]21 169359049 ZVWMOTMHZYWJPF-BKHQYTDWSA-N 336.472 3.523 0 1 EHAF CCc1cccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 205766000 ISAMVFYOKVMMJZ-KRWDZBQOSA-N 336.435 3.857 0 1 EHAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 238730881 KKKOTCYOROYVJG-ULVVBTIWSA-N 334.500 3.566 0 1 EHAF Fc1ccc(CNc2nc(N3CCCCC3)nc3cnccc23)cc1 299821263 CCFSIKUNRXLTKC-UHFFFAOYSA-N 337.402 3.766 0 1 EHAF Cc1cc(Br)ccc1OCc1nc2c(C)ccnc2[nH]1 586981581 QUFLODUNORMKRK-UHFFFAOYSA-N 332.201 3.916 0 1 EHAF Cc1c(F)ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 587039922 XNEDMBOEJLAAJC-UHFFFAOYSA-N 349.391 3.876 0 1 EHAF Clc1ccc(CN2CCC[C@@H]2c2nc3cnc(Cl)[nH]c-3n2)cc1 587074799 ZQMDCAZMNBJZBM-CYBMUJFWSA-N 348.237 3.948 0 1 EHAF Nc1ccnc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c12 587076156 KDDBBCODWHZDJG-UHFFFAOYSA-N 337.770 3.628 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc(OC)c1F)[C@@H](C2)C3=O 587427368 TWQDXRPUPAAIKP-XTZNXHDOSA-N 348.757 3.985 0 1 EHAF O=C1CC2(C[C@H]3CC(C(=O)O)C[C@@H]3C2)Oc2c1ccc1c2CCCC1 587528506 AHXJCARCWHEARZ-DMTCDCDWSA-N 340.419 3.790 0 1 EHAF CC[C@@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587812157 INZUWHIRBJWGIE-PSLIRLAXSA-N 328.225 3.707 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2)N1 587833785 PITMNBJHTZSAIT-FVMDXXJSSA-N 336.204 3.917 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cncc(C)n1 587863049 PCCWASWIJCWMKV-UHFFFAOYSA-N 334.301 3.665 0 1 EHAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)c(F)cc2[nH]1 587964186 ZRNPJOIKZFZZEZ-HTQZYQBOSA-N 325.181 3.622 0 1 EHAF NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccccc1Cl 653723892 HLWGVAQBKGLZSV-INIZCTEOSA-N 325.799 3.569 0 1 EHAF COC(=O)[C@@H]1CC[C@@]2(C1)c1ccsc1CCN2Cc1ccco1 962709504 RSDOVNUMMPWLHM-FZKQIMNGSA-N 331.437 3.568 0 1 EHAF 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COc1cc2c3c(c1)O[C@](C)(c1cc4cccc(O)c4o1)[C@@H](C2)C3=O 587456472 VWZGNMCKLYJDCI-RBZFPXEDSA-N 336.343 3.810 0 1 EHAF CC(C)CCOC(=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521731 JTHDHBDCTMOSDE-FQEVSTJZSA-N 330.424 3.879 0 1 EHAF Cc1cc(C)c2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587526109 PRWWPWAIIXRZOP-QFIPXVFZSA-N 347.414 3.995 0 1 EHAF O=C1C[C@]2(CCOc3ccc(O)cc32)Oc2c1ccc1c2CCCC1 587534931 GYXLZTYIOUJAKV-NRFANRHFSA-N 336.387 3.914 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(COc3ccc(C)cc3)nc2c1 587565966 YGACKMSTDXUFGD-UHFFFAOYSA-N 330.771 3.890 0 1 EHAF CCn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576629 JWBFSPRDVYMLPE-PXNSSMCTSA-N 335.359 3.917 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccn2)N1 587733445 RJPNSLQJQHJSHC-AYVTZFPOSA-N 339.183 3.746 0 1 EHAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)no1 587791796 GWOIQFRUVUNLHG-ANRSDYALSA-N 339.208 3.682 0 1 EHAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587952547 SXNAFBSCWJUCDR-MRRJBJDNSA-N 340.431 3.585 0 1 EHAF CCc1ccc(C(=O)CCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587956541 FTIHYJKMLZYNLD-UHFFFAOYSA-N 349.434 3.643 0 1 EHAF CCN1C(=O)c2cccc3c(NS(=O)(=O)C4CCCC4)ccc1c23 653738888 JCIHYXVSBCJLJB-UHFFFAOYSA-N 344.436 3.504 0 1 EHAF COc1ccc(Cl)c2c1CCN[C@]2(CCC(C)(C)C)C(=O)O 963256205 BWWADQAHIMUIRA-KRWDZBQOSA-N 325.836 3.601 0 1 EHAF Cc1cc(N)nc(CCc2cc(F)cc(CC[C@@H]3C[C@H](F)CN3)c2)c1 1857547355 PNHNZORGNQGMRR-ZWKOTPCHSA-N 345.437 3.529 0 1 EHAF Cc1[nH]c(C(=O)NC2CC2)c(C)c1Cc1ccc(C(F)(F)F)cn1 1911574221 ZEIJKFGGHIXXRV-UHFFFAOYSA-N 337.345 3.528 0 1 EHAF CNC(=O)N(C1=NCC(C)(C)S1)c1cccc(C(F)(F)F)c1 162102 KBHINPJFHKAXAH-UHFFFAOYSA-N 331.363 3.733 0 1 EHAF COc1cc([C@@H](O)[C@@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)ccc1O 14646630 GSIZVLCQLAZSSP-QAJFTPDKSA-N 344.407 3.678 0 1 EHAF C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26390985 IGTBWNRPQOIMSD-YMOYWWOJSA-N 347.499 3.845 0 1 EHAF Cc1ccc(NC(=O)Nc2ccc(OC(C)(C)C(=O)O)cc2)cc1 26402643 ZCVGQNIPTZZNQX-UHFFFAOYSA-N 328.368 3.881 0 1 EHAF COc1cc(C)c([C@H](O)CN[C@H](C)CCc2ccccc2)cc1C 45168665 MKLQJSXWKMOOJD-YLJYHZDGSA-N 327.468 3.956 0 1 EHAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccccc3)C2)cc1 73297898 OQVSAKUFJLVWSE-KRWDZBQOSA-N 335.432 3.776 0 1 EHAF CC[C@@H](C)Nc1ncc(C(=O)N2CCCC2)c(-c2ccc(F)cc2)n1 82140303 JUNSYMYMDBGXOL-CYBMUJFWSA-N 342.418 3.729 0 1 EHAF CCN(CC)C(=O)[C@@H]1CCCc2c1c1ccc(OC)cc1n2CCF 82154713 OJLXUHNMGMOOSB-MRXNPFEDSA-N 346.446 3.908 0 1 EHAF Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CC=CCC3)cc12 118592948 CMCQWYYGEHUAAM-UHFFFAOYSA-N 346.843 3.949 0 1 EHAF C[C@H]1CCN1C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144706179 FIERJLCQXGOLMV-BBATYDOGSA-N 347.336 3.700 0 1 EHAF O=c1c2c[nH]c3ccc(Br)cc3c-2nn1-c1ccccc1 168307490 JHRDSSZXCIFJAW-UHFFFAOYSA-N 340.180 3.581 0 1 EHAF CC(C)(C)n1c(-c2ccccn2)nc2cc(-c3cnc(N)nc3)ccc21 169245755 KXQABCVJSVWUGZ-UHFFFAOYSA-N 344.422 3.893 0 1 EHAF C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 299821148 WABPWKRYVLWCHS-YHUMXLBCSA-N 345.483 3.621 0 1 EHAF C[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1=O 586990317 BEJUXZQDPIGRIM-SNVBAGLBSA-N 329.355 3.917 0 1 EHAF CC[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1=O 586991991 SHBDGQRWKQMDBW-SNVBAGLBSA-N 329.355 3.917 0 1 EHAF CC(=O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 587087047 LGLBQCUJQHPBMY-UHFFFAOYSA-N 349.985 3.635 0 1 EHAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cnncc2[nH]1 587122117 QNUWICLOJZLQEM-UHFFFAOYSA-N 345.284 3.775 0 1 EHAF COc1c(F)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1F 587135232 VZBLRSZPEJORGK-UHFFFAOYSA-N 329.228 3.931 0 1 EHAF COC(=O)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 587143105 WHWLNHIUBKRXDG-UHFFFAOYSA-N 349.159 3.918 0 1 EHAF Cc1cncc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587169167 WJGZWASQQLWTPA-UHFFFAOYSA-N 334.358 3.531 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(Cl)cccc31)O2 587380079 QABCSXZEJJHGPK-GOSISDBHSA-N 329.783 3.874 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3nccc(Cl)c13)O2 587380926 YLQDTHVKHHHXAN-AWEZNQCLSA-N 327.771 3.813 0 1 EHAF CC(=O)[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601526 SPLCGIAKTWHIOQ-PXNSSMCTSA-N 340.375 3.728 0 1 EHAF COc1cccc(OCc2ccc(-c3nc4nccc(N)c4[nH]3)cc2)c1 587782442 ULDSCITWDDJLNR-UHFFFAOYSA-N 346.390 3.795 0 1 EHAF COC(=O)Cc1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587783495 SVUDVVYZTIIBNW-UHFFFAOYSA-N 334.297 3.964 0 1 EHAF COC[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587792694 MDMSCXXYOCJNRV-BMIGLBTASA-N 330.241 3.620 0 1 EHAF COc1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2cc1Cl 587799410 ZDRZUWFAGMNHHF-UHFFFAOYSA-N 348.786 3.918 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=COCCC2)N1 587832470 BWOFEZPKGYKHLY-RFAUZJTJSA-N 326.209 3.858 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CCSC2)N1 587857769 MZODEOBTJQXTQT-XLKFXECMSA-N 328.250 3.837 0 1 EHAF C[C@@H](NCC(=O)n1nc2cc1Oc1ccc(F)cc1-2)c1ccccc1 587873907 PEWUGTFSNSJIKB-GFCCVEGCSA-N 337.354 3.786 0 1 EHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H]([C@@H]2C[C@@H]2c2ccc(Cl)cc2)N1 962907001 SBHDLWBGQNBVFH-DEICHXMPSA-N 345.801 3.923 0 1 EHAF COc1ccc(OC)c(-c2nc(Cc3c[nH]c4ccccc34)no2)c1 1857609347 ZQZVSPGERYLUJM-UHFFFAOYSA-N 335.363 3.826 0 1 EHAF COC(=O)Nc1cc(-c2c(-c3ccccn3)n[nH]c2C)cc2[nH]ncc12 1857750553 QKCQOMKLIMPNAK-UHFFFAOYSA-N 348.366 3.502 0 1 EHAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CN)C=C3C)[nH]c2c1 2356677209 KPVCNCWWBZJPJD-YQQAZPJKSA-N 327.472 3.927 0 1 EHAF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C)CC[C@H]21 2356720061 OXXDMPVAKVTTPQ-YLAKUSLOSA-N 330.424 3.873 0 1 EHAF O=C(Nc1ccccc1Cl)NC1(C(=O)N2CCCC2)CCCCC1 1344896 ICOOXOGZOWXJLU-UHFFFAOYSA-N 349.862 3.787 0 3 EHAF CCOc1ccc2c(c1)C(c1ccc(C)o1)=NNC(c1ccncc1)=N2 5444642 DVRBBTZTZLHUFG-UHFFFAOYSA-N 346.390 3.816 0 1 EHAF CCc1ccc(CN2CCC(CO)(Cc3ccc(OC)cc3)CC2)o1 11842802 NLRMAYUBZQBYDL-UHFFFAOYSA-N 343.467 3.668 0 1 EHAF CC=C1C(=O)O[C@H](c2ccoc2)C1=C(C)c1cccc2c1COC2=O 14690303 XBLYNGFLAFKITF-GOSISDBHSA-N 336.343 3.968 0 1 EHAF biogenic O=C1NC(=O)[C@@H](Cc2ccc(CCCc3ccccc3)cc2)S1 29486775 PBHMRPSBBVSADN-QGZVFWFLSA-N 325.433 3.756 0 1 EHAF COc1ccc2c(c1)[nH]c1c(C[C@@H]3OC3(C)C)c(O)c(C=O)cc12 72116280 DLFPRMDUAKMAEL-INIZCTEOSA-N 325.364 3.568 0 1 EHAF NC1=N[C@H](c2cccc(CC(=O)c3ccc(Cl)cn3)c2)CCS1 96174331 LVYYIVDJWVBOFF-AWEZNQCLSA-N 345.855 3.653 0 1 EHAF CC[C@]1(c2ccccc2)C(C(=O)OC)=C(C)N=C(C)/C1=C(/O)OC 100016114 FVADXYGDLLTBFF-POWXATIXSA-N 329.396 3.672 0 1 EHAF CN1C[C@](O)(c2ccc(-c3ccccc3F)cc2)O[C@@H]2CCCC[C@@H]21 169291111 DVRJPNBGRUZGDS-PWRODBHTSA-N 341.426 3.911 0 1 EHAF C/C(=C\C(=O)O)CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@@]1(C)O 238740511 YSIVERHSGIJYEX-JMLWJHSHSA-N 338.488 3.762 0 1 EHAF O=C(O)c1ccccc1/C=C/c1nc2ccnc(Br)c2[nH]1 586882347 OQCYUOFJXHHXPL-AATRIKPKSA-N 344.168 3.589 0 1 EHAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cncc(Br)c3[nH]2)cc1 586888061 KHMVXJLRXMNDAE-BMIGLBTASA-N 346.228 3.866 0 1 EHAF Cc1nc2[nH]c([C@H]3C[C@@H](O)c4ccccc43)nc2cc1Br 586900464 CMADXKIIVHTTLE-SMDDNHRTSA-N 344.212 3.598 0 1 EHAF CCN(CC)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987346 DISUUEXDQZQOKN-UHFFFAOYSA-N 332.403 3.994 0 1 EHAF COc1cc(OC)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 587083955 FECMBJBPWMLPCA-UHFFFAOYSA-N 329.787 3.708 0 1 EHAF Cc1cncc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 587201160 IHXLSAWHVTZOKX-UHFFFAOYSA-N 332.448 3.847 0 1 EHAF CCN(CC)C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587503826 ITPIRHDYPTWDTA-HXUWFJFHSA-N 329.440 3.548 0 1 EHAF C[C@@]1(c2nccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620057 WQOIUTDCRMLPJH-RDTXWAMCSA-N 339.372 3.726 0 1 EHAF CC[C@]1(Cc2nc3nc(Cl)c[nH]c-3n2)CC(=O)c2ccccc2C1 587962275 WRVJZQUDJPDPKM-GOSISDBHSA-N 340.814 3.726 0 1 EHAF CC(=O)Oc1ccccc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963099449 AFPZPJLNLGYMQN-OXJNMPFZSA-N 325.383 3.861 0 1 EHAF CC(=O)c1ccccc1-c1cnc2c(-c3cnccc3C)ccnn12 1772623054 USYUSRUYCHXJDQ-UHFFFAOYSA-N 328.375 3.969 0 1 EHAF CCOC(=O)c1cn(Cc2ccccc2)c2cc(Cl)ccc2c1=O 1857641399 HZIMVWVBWNBADO-UHFFFAOYSA-N 341.794 3.880 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)C[C@H](O)C[C@@]12C 2356402137 ZQBRPFALTAJQEA-XLSPSMHOSA-N 336.472 3.540 0 1 EHAF CC=C1CN2CCc3c([nH]c4ccc(O)cc34)[C@H]2C[C@H]1CCOC 2356535084 OJQWEELBMCSJSY-AUUYWEPGSA-N 326.440 3.775 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(CO)C(=O)CC[C@@H]32)C1 2356621779 PRBXKEWXBFDLIT-GVNFVFRUSA-N 348.483 3.502 0 1 EHAF Cc1cccc(C[C@@H](C)NC(=O)c2oc3c(F)cccc3c2C)n1 12320889 BFVDDSCJDPSGBJ-GFCCVEGCSA-N 326.371 3.945 0 3 EHAF Cc1ccc(CN[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)cc1 205705885 BUIJOMJFFQYBBU-QKNQBKEWSA-N 326.484 3.798 0 3 EHAF Cc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)NC2CCCCCC2)cc1 218558 KXCGHXBKTOWTGG-NRFANRHFSA-N 342.483 3.715 0 1 EHAF Cc1nc2c(s1)-c1nc(Nc3ccc(Cl)nc3)ncc1CC2 6744730 ANWMSXOBKGKAOJ-UHFFFAOYSA-N 329.816 3.799 0 1 EHAF CC(=O)O[C@H](C/C(C)=C/C(=O)O)c1ccc2c(c1)CCC(C)(C)O2 26157507 XRYPDFYRUHHVCT-DPCFLFMUSA-N 332.396 3.815 0 1 EHAF Cc1cc(NC(C)C)nc(NC2CCN(Cc3ccccc3)CC2)n1 45349650 ZSOIDBHMNMMPJJ-UHFFFAOYSA-N 339.487 3.682 0 1 EHAF FC(F)(F)c1ccc(Nc2cc(C(F)(F)F)nc3ncnn23)cc1 71294305 QAWZBLSZJFEDEM-UHFFFAOYSA-N 347.222 3.906 0 1 EHAF CCN(CC)C(=O)[C@H]1CCCc2c1c1cc(O)ccc1n2CCF 73198863 OYYWZOCFFUKRPC-AWEZNQCLSA-N 332.419 3.605 0 1 EHAF Cc1cnc(N2CCCN(C)CC2)nc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 82202630 NABRROGRUYXMTP-NVXWUHKLSA-N 345.535 3.554 0 1 EHAF Cc1ncsc1[C@@H](c1ccccc1)n1cc(-c2ccncc2)nn1 95556902 CJLHXCGLKPCPPL-QGZVFWFLSA-N 333.420 3.743 0 1 EHAF CCCCC[C@@H]1/C=C\[C@@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O1 101470082 ZMUOKHRYAWJZAG-HZPZVITJSA-N 338.488 3.747 0 1 EHAF CC(C)[C@@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl 103277662 MPNVWWBCRLOSON-MRVPVSSYSA-N 348.177 3.715 0 1 EHAF CC1([C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)NN1 253644965 JHDIOWXROSUEFV-JXUVHZKSSA-N 330.516 3.750 0 1 EHAF O=C1CCCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586992196 ZGRKKGDSNBSPNO-UHFFFAOYSA-N 329.355 3.600 0 1 EHAF Cc1cnc2[nH]c(CCNc3ccc(Br)cc3)nc2c1 586996019 NQJFKYBONMXGKP-UHFFFAOYSA-N 331.217 3.683 0 1 EHAF Fc1c(F)c(F)c2[nH]c(-c3csc4c3CCOC4)nc2c1F 587031645 JSVQLIQYBKUOOM-UHFFFAOYSA-N 328.290 3.921 0 1 EHAF Fc1ccc(OCc2nc3c(F)cnc(Br)c3[nH]2)cc1 587169573 ZNJBZBSQNMFQDR-UHFFFAOYSA-N 340.127 3.578 0 1 EHAF CC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)COC1 587355243 CTIOBAMYPSGRNU-XLIONFOSSA-N 342.366 3.685 0 1 EHAF COc1ccc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn(C)c2c1 587389021 DGRLNZWAMSHRBG-IBGZPJMESA-N 336.391 3.784 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccco4)s1)[C@@H](C2)C3=O 587451699 JWPXUQMASWUUJF-GTNSWQLSSA-N 339.372 3.900 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](C(=O)O)CC1)CC2=O 587478496 AZTFGMVBWAMIAD-BUXKBTBVSA-N 332.396 3.714 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1csc(COC)n1)CC2=O 587492157 BAXNFTWDYBDDJJ-OAHLLOKOSA-N 333.409 3.654 0 1 EHAF Cc1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587776373 XAKIPCYVELMTLO-NXSYQRQQSA-N 339.208 3.817 0 1 EHAF COC(=O)C[C@H](C)Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587787326 URKRYVRNHPLOKM-MRVPVSSYSA-N 332.347 3.917 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCOC2)N1 587836659 XBLPLCVYTLUQJZ-FCHSOHFDSA-N 328.225 3.590 0 1 EHAF COc1ccc2c(c1OC)[C@H](c1c[nH]c3ccncc13)N(C)[C@H](C)C2 962645591 ZZVWGYAPIITLMM-BLVKFPJESA-N 337.423 3.546 0 1 EHAF COc1ccc([C@@H]2OC(c3ccc(Cl)cc3)=NN2C(C)=O)cc1 564360 FNVFZEITICOIRI-KRWDZBQOSA-N 330.771 3.588 0 1 EHAF COC(=O)C/C=C/[C@H](C)[C@@H](OC)c1ccccc1Br 7992084 WPCOPGOEBYZGMO-CKFGTYPXSA-N 327.218 3.892 0 1 EHAF CCOc1cc2c(ccc1=O)[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2 13766681 XPXZUOPVHIHQLO-IQYLVTRLSA-N 328.452 3.663 0 1 EHAF COc1ccc(-c2cc3c(NC(=O)c4ccco4)ncnc3o2)cc1 14946139 QZNRCVXCWYVMOI-UHFFFAOYSA-N 335.319 3.744 0 1 EHAF CNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C 21289542 MWTPPQWWCAVXIS-UHFFFAOYSA-N 334.206 3.949 0 1 EHAF CCCCC[C@@H]1/C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O1 26028458 ZMUOKHRYAWJZAG-HBKNESILSA-N 338.488 3.747 0 1 EHAF CC(C)CC[C@](CCN(C(C)C)C(C)C)(C(N)=O)c1ccccn1 27522364 FUIWPZRNLDWDRB-HXUWFJFHSA-N 333.520 3.750 0 1 EHAF CCC(=O)N1c2ccccc2[C@H]2CN(CCc3ccccc3)CC[C@H]21 27878700 KIEDKQOTIJJPES-TZIWHRDSSA-N 334.463 3.844 0 1 EHAF Cc1cc(CCCCOc2ccc(C3=NCCO3)cc2Cl)on1 28761212 NYPJBNNOELNMOI-UHFFFAOYSA-N 334.803 3.815 0 1 EHAF CCn1c2cc(C)sc2c2cnn(Cc3ccccc3F)c(=O)c21 36380226 LIQGMPLXWHVXOZ-UHFFFAOYSA-N 341.411 3.928 0 1 EHAF COc1cccc(CNCc2coc(-c3cccc(F)c3)n2)c1OC 72186414 LKYFYRRSDZVWOM-UHFFFAOYSA-N 342.370 3.788 0 1 EHAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(Cn3cccn3)cc21 143448949 ORFWZFZLZNQQLG-KRWDZBQOSA-N 330.309 3.710 0 1 EHAF CNc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1-c1cn[nH]c1 223841101 LLNIEHLUBJMMPU-GFCCVEGCSA-N 338.386 3.749 0 1 EHAF CC[C@H]1OCCC[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 586913777 SKMZFKQALYTABU-LDYMZIIASA-N 325.206 3.704 0 1 EHAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2nc(Cl)c[nH]c-2n1 587069410 KBHXHHVRNIRIFU-MRVPVSSYSA-N 335.194 3.988 0 1 EHAF N[C@H](N=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587152813 RIRPWHPOJYXTEA-OHUAYANFSA-N 328.322 3.836 0 1 EHAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(Cl)c(C)c3[nH]1)C2 587246254 FFWGDMSRHXADLK-LJQANCHMSA-N 341.842 3.876 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3c(cnn3C(C)C)c1)O2 587389978 DYGXILPHEPZKFZ-QGZVFWFLSA-N 336.395 3.609 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccn(C)n4)c1)[C@@H](C2)C3=O 587431377 KDFINKDXPMGDJR-KKSFZXQISA-N 346.386 3.584 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)CCCN4)[C@@H](C2)C3=O 587438883 IQYJMGRWKQEFBP-KKSFZXQISA-N 335.403 3.716 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1OCC)CC2=O 587490592 YQJMOXOIJRQWTA-QGZVFWFLSA-N 327.380 3.845 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ncc([C@H](C)O)s1)CC2=O 587498105 YQHGBTPFHGGIKK-XPTSAGLGSA-N 333.409 3.561 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccn(C)c2)N1 587758770 YDLKYHRSMSPBGH-HWPZZCPQSA-N 337.236 3.724 0 1 EHAF Brc1ccc2nc(COC/C=C/c3ccccc3)[nH]c2n1 587780439 AHYDKKATAJYHIV-QPJJXVBHSA-N 344.212 3.950 0 1 EHAF COc1ccc(C=O)c(-c2nc3cc(OC(C)C)ccc3[nH]2)c1OC 587785590 COELOEQVFWPQLX-UHFFFAOYSA-N 340.379 3.847 0 1 EHAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 587790383 BQRANTSETRZQRZ-VXJOIVPMSA-N 339.208 3.682 0 1 EHAF COCCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794105 OCXWJLQTOGILNQ-ZUZCIYMTSA-N 330.241 3.764 0 1 EHAF C=CN1CCCC[C@H]([C@]2(C3CC3)NCCc3cc(C)c(F)cc32)C1=O 962095812 XLYNFBJZGUVPDR-UWJYYQICSA-N 342.458 3.657 0 1 EHAF c1coc(CN2CCc3sccc3[C@@H]2c2cn3cccnc3n2)c1 962705156 KERUGOKDHOTILU-QGZVFWFLSA-N 336.420 3.532 0 1 EHAF Cc1ccc2c([C@@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)cn(C)c2c1 963015331 ARKQXZMUOJDTRT-RCDICMHDSA-N 345.446 3.629 0 1 EHAF CN1C(=O)C[C@H]2CN[C@H](c3cc4cccnc4cc3F)c3cccc1c32 963015727 ADMLDQMHNLPNIR-ZSEKCTLFSA-N 347.393 3.517 0 1 EHAF Cc1ccc([C@@]2(c3ccccc3F)NCCc3c(C)ccnc32)cn1 963064586 AWPZUJBSJXWVPE-NRFANRHFSA-N 333.410 3.670 0 1 EHAF CNCCN1CCC(OCc2ccc(C3CCCCC3)cc2)CC1 1772616371 SVGZJNSANYCCJO-UHFFFAOYSA-N 330.516 3.935 0 1 EHAF OC[C@]1(Cc2ccccc2)CCCN(Cc2c[nH]c3ccccc23)C1 11773666 SXSQTABQVPXWLQ-QFIPXVFZSA-N 334.463 3.985 0 3 EHAF Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N1CCC[C@]1(C)CC3 13778395 ORGKYZVJZBDUGT-QGZVFWFLSA-N 336.357 3.862 0 1 EHAF COc1ccc(C[C@H]2NCCc3c2[nH]c2c(C)cccc32)cc1OC 26670888 PURYAHZPULTIKX-QGZVFWFLSA-N 336.435 3.923 0 1 EHAF Cc1cc(CCO)ccc1Nc1nccc(-c2c[nH]c3ncccc23)n1 36124436 SCMJNQHUUQLKRS-UHFFFAOYSA-N 345.406 3.607 0 1 EHAF CCCCN1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 36330666 OSMBVVYEQYPGPW-UHFFFAOYSA-N 347.547 3.767 0 1 EHAF CC(C)(C)CCNc1cc(N2CCN(C3CCCCC3)CC2)ncn1 73196534 SBEYQLHXMZZEPE-UHFFFAOYSA-N 345.535 3.779 0 1 EHAF O=C(O)Cn1c(SCCCNc2ccccc2)nc2ccccc21 84653271 RWIRIBOKVRVPTF-UHFFFAOYSA-N 341.436 3.715 0 1 EHAF O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccccc2)cc1 95584352 QISRVSILAPJTBL-UHFFFAOYSA-N 339.416 3.647 0 1 EHAF c1ccc(Cc2nnc3sc(Cc4cc5ccccc5[nH]4)nn23)cc1 103216209 MVNFPSCHASJHKV-UHFFFAOYSA-N 345.431 3.849 0 1 EHAF O=C1[C@H]([C@@H](O)c2cnc3ccccc3c2)CCCN1Cc1ccccc1 103295698 YKUXXJIJRLTFPD-FPOVZHCZSA-N 346.430 3.707 0 1 EHAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)nc1 142456629 ASSPIKQZPRLGDN-VIFPVBQESA-N 343.185 3.611 0 1 EHAF O=C1C[C@]2(CCc3ccccc32)OC(=O)[C@H]1SCc1ccccc1 169684764 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FIWZJAXEIJYXJI-CYBMUJFWSA-N 338.798 3.713 0 1 EHAF N=C(N)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131568 OGKNRGIAMVJUCH-UHFFFAOYSA-N 326.350 3.728 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc4cc(F)ccc4n1C)[C@@H](C2)C3=O 587429951 XVPKYDZHFNHABO-XOBRGWDASA-N 337.350 3.815 0 1 EHAF Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2C 587518684 NEWVBMDYZZCMFO-JOCHJYFZSA-N 347.414 3.711 0 1 EHAF Oc1nc(O)c2cc3c(nc2n1)-c1ccccc1[C@@H]3c1ccccc1 587562401 ZMKBWRXXXJMIDH-INIZCTEOSA-N 327.343 3.597 0 1 EHAF Cc1scnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587851880 DAPGGZQOJDUONP-JKYUHCHBSA-N 341.249 3.977 0 1 EHAF Cc1ccnc2c1CCN[C@@H]2c1cnc(CCc2ccccc2)s1 963071419 RTDWGDBIFQQXSH-HXUWFJFHSA-N 335.476 3.867 0 1 EHAF Cc1ccc2c(c1)O[C@@H]1O[C@]3(CC[C@]21O)c1ccc(C)cc1O[C@@H]3C 1772490932 AGFAYIPDDGSEBN-PLBGURBNSA-N 338.403 3.696 0 1 EHAF O=C(O)c1cc(CCc2ccccc2C(F)(F)F)cc(C(=O)O)c1 1772635799 WHGMTGGPYSTLAI-UHFFFAOYSA-N 338.281 3.887 0 1 EHAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cn(CC(F)F)c3ccccc13)C2 1772635955 SKVWBTBHPLXUHO-STQMWFEESA-N 348.393 3.688 0 1 EHAF CCCc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(CO)C3)cc1CC2 1857766567 QIWXNAWDVVPJRE-MGPUTAFESA-N 342.508 3.819 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)C[C@@H](O)C[C@]12C 2356402136 ZQBRPFALTAJQEA-WOCWXWTJSA-N 336.472 3.540 0 1 EHAF CC1=CCC[C@@]2(C)O[C@@](C)(C=C3OC(=O)C(C)=C3CC1)CC[C@H]2O 2356787191 BGTPOCCGIFUERN-MISYRCLQSA-N 332.440 3.953 0 1 EHAF CCCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1 12285157 AVGZVQCGHBYCKO-DACLVMHWSA-N 325.408 3.567 0 1 EHAF COc1cc([C@H]2CCCc3cc4c(cc32)OCO4)cc(OC)c1OC 26488614 AASYTIVGSFEPCK-CQSZACIVSA-N 342.391 3.909 0 1 EHAF NCCCc1nc(-c2ccccc2)cn2cc(-c3ccccc3)nc12 27857483 MJZDPUZYGWOGNM-UHFFFAOYSA-N 328.419 3.955 0 1 EHAF CCc1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O 29571433 BACJTRDBLGJKAG-UHFFFAOYSA-N 346.475 3.947 0 1 EHAF CNC[C@@H](O)[C@H](c1cccc(C(F)(F)F)c1)n1ccc2ccccc21 35950050 CNZYWYSSMUKCGY-MSOLQXFVSA-N 348.368 3.830 0 1 EHAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1cc(Cl)cc3c1OC(C)(C)C3)C2 103225860 GNXREEBVGSIBJO-FICVDOATSA-N 349.858 3.836 0 1 EHAF COC(=O)c1cc(OC)c2[nH]c3ccccc3c2c1/C=C\C(C)(C)O 214123676 GOGHABCCDYNZSW-KTKRTIGZSA-N 339.391 3.900 0 1 EHAF C[C@H](O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1-c1cn[nH]c1 224679319 PWWJBQFUGNBNDJ-KGLIPLIRSA-N 335.407 3.621 0 1 EHAF C[C@@H]1C(=O)CC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@H]3O)[C@H](C)CC[C@@]12C 238744737 QUBSKTZAKHEGEY-LNSVXIBSSA-N 334.456 3.626 0 1 EHAF O=C(Nc1ccc(Br)cc1)c1ccc2cccc(O)c2n1 474607068 IRHNZYHWXZWZGM-UHFFFAOYSA-N 343.180 3.955 0 1 EHAF CCOCc1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)o1 586902551 FYILAPRPEBQCEZ-UHFFFAOYSA-N 326.331 3.684 0 1 EHAF Brc1ccnc2[nH]c(-c3csc4c3CCOC4)nc12 587031342 FDSQZZBGQYADOV-UHFFFAOYSA-N 336.214 3.522 0 1 EHAF Cc1ccc2c3c(c4c(nc13)C[C@H](CC(=O)O)C4)-c1ccccc1C2=O 587101427 SUAVHLYPFFPSNR-GFCCVEGCSA-N 343.382 3.944 0 1 EHAF Cc1ccc2c(ccc3nc(-c4cc(C(F)(F)F)nn4C)[nH]c32)n1 587118658 SYOQYMKYLCFBKE-UHFFFAOYSA-N 331.301 3.839 0 1 EHAF Cc1[nH]c(-c2ccco2)nc(=O)c1-c1cc2c3c(cccc3n1)CC2 587211636 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RMSMLHUOMMWYKO-LJQANCHMSA-N 327.380 3.629 0 1 EHAF CCOC(=O)[C@@](C)(CC)[C@]1(C)NCCc2c(OC)ccc(Cl)c21 963256486 CPHFYCAQKHGHIL-QZTJIDSGSA-N 339.863 3.689 0 1 EHAF Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)CC(C)C)CC(=O)N2 212186 IKNODLHWBQSLKR-OAQYLSRUSA-N 336.435 3.911 0 3 EHAF COc1c(C)cc([C@@H](O)c2nc(-c3ccccc3F)c[nH]2)cc1C 61902712 CVMUNIOORSYFKA-QGZVFWFLSA-N 326.371 3.923 0 3 EHAF COc1ccccc1NC(=O)NC(C)(C(F)(F)F)C(F)(F)F 3188949 QMKZXSHFGNFYDE-UHFFFAOYSA-N 330.228 3.700 0 1 EHAF biogenic CC(=O)Nc1ccc2ncnc(NCCc3ccc(Cl)cc3)c2c1 13476447 ZXQWIEGHHFZPEI-UHFFFAOYSA-N 340.814 3.896 0 1 EHAF O=c1[nH]c(CCCN2CCC(c3ccccc3)CC2)nc2ccccc12 13581561 GNEBUQTZKVXTKB-UHFFFAOYSA-N 347.462 3.735 0 1 EHAF Cc1cc(C)c(NC(=O)[C@@H]2CCCC[C@@H]2C)cc1CN1CCOCC1 45245651 UZYWZYRCHHGYCC-HNAYVOBHSA-N 344.499 3.900 0 1 EHAF O=C(Nc1ncnc2[nH]c(/C=C/c3ccccc3)nc12)c1ccccc1 58649791 DASAKLDIIDFNQS-VAWYXSNFSA-N 341.374 3.776 0 1 EHAF CC(C)CCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1 71329339 QWPAQBJBWLSPSH-UHFFFAOYSA-N 333.457 3.940 0 1 EHAF in-vitro CCCCc1ccc(-c2nc(CNCCN3CCCC3)co2)cc1 72183254 USVGJYFBUIUTQE-UHFFFAOYSA-N 327.472 3.870 0 1 EHAF CCCCN(C)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O 84706619 VYXWJZASHHQENJ-UHFFFAOYSA-N 337.423 3.731 0 1 EHAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)noc21 95594094 BMNUQAZPOQDTNO-UHFFFAOYSA-N 345.443 3.551 0 1 EHAF CC(C)CC/C=C/C=C/C(=O)Nc1cc(CCC(=O)O)ccc1O 169330550 MMOZVGGKBLJAHT-PBOULFJWSA-N 331.412 3.897 0 1 EHAF CC(C)Cc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1 224544068 ZWTKEKIJWYYZKK-UHFFFAOYSA-N 339.374 3.646 0 1 EHAF CCOC(=O)c1csc2nc(-c3cccc(NC(=O)CC)c3)cn12 473112886 GOQKLCYXONINQQ-UHFFFAOYSA-N 343.408 3.588 0 1 EHAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(Br)ncc3[nH]1)O2 587174690 RFJWWLUOBOYVSY-LBPRGKRZSA-N 334.148 3.536 0 1 EHAF C=CC(=O)Nc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587244593 PXHGJOPIGMRNQF-UHFFFAOYSA-N 335.260 3.911 0 1 EHAF CN(C)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332212 CQGRHGIHDSIAHA-UYAOXDASSA-N 343.398 3.601 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H](N=O)[C@@H]2CC[C@@]1(C)C2(C)C 587386362 INTUQTLNVGUJQD-SZUHRMQMSA-N 328.412 3.872 0 1 EHAF COc1cc2c(c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c1)O[C@H](C)C2 587411365 INEGOSCSOCYWLY-ZMZPIMSZSA-N 339.391 3.616 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2CC12CCOCC2 587415254 YXXUBOJGRSSTCL-QFIPXVFZSA-N 349.430 3.791 0 1 EHAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccnc1)[C@@H](C2)C3=O 587435559 HDDDQJIDVZCPQD-PGRDOPGGSA-N 343.382 3.781 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(O)c(SC)c1)[C@@H](C2)C3=O 587453279 RFSQTOUYWDVDTJ-KPZWWZAWSA-N 328.389 3.611 0 1 EHAF Cn1cnc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cnc21 587515323 KKTJTTAYJLMRBC-NRFANRHFSA-N 347.418 3.728 0 1 EHAF C[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608548 LIKBQODUZAGABG-RXVVDRJESA-N 348.354 3.975 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Cl)ccn1 587870748 HZCKIGJUWGZRCX-UHFFFAOYSA-N 345.761 3.825 0 1 EHAF O=C(O)C/C=C1/Nc2cc(Cl)ccc2N(Cc2ccccc2)C1=O 957601973 MYNICEZHZLQDDZ-VGOFMYFVSA-N 342.782 3.657 0 1 EHAF Cc1c(F)ccc2c1[C@@](CCC(=O)O)(c1cc(F)cc(F)c1)NCC2 962091477 KSYHRANGARXIAB-LJQANCHMSA-N 349.352 3.666 0 1 EHAF CC1=C[C@@]2(NCCc3ccc(C(=O)N(C)C)cc32)[C@H](C(C)C)CC1 962927969 GDUOELGXFIAIEX-GHTZIAJQSA-N 326.484 3.742 0 1 EHAF CCc1ccc([C@@]2(c3ccc(N)cc3)NCCc3c(C)ccnc32)o1 963071890 LZHFHFUQIHVGMC-OAQYLSRUSA-N 333.435 3.565 0 1 EHAF CCc1nc(N)cc(C)c1-c1ccc2c(c1)N(CCCOC)CCC2 1772590884 XCVMVMABAXFPRC-UHFFFAOYSA-N 339.483 3.991 0 1 EHAF COc1cc(F)ccc1Nc1ncnc2sc3c(c12)CCN(C)C3 1857581548 WXJHHZUCAOQHEW-UHFFFAOYSA-N 344.415 3.571 0 1 EHAF CCSc1nnc(Cc2ccc(OC)cc2)n1-c1ccccc1 1857753861 SYTMLWUXPJNEIW-UHFFFAOYSA-N 325.437 3.979 0 1 EHAF OC(CO[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12)(C(F)(F)F)C(F)(F)F 2356562963 LDINMRIWMAKHOC-DAWVFNFOSA-N 332.284 3.683 0 1 EHAF CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 214791 FXVOAYCWENHZHU-SJORKVTESA-N 342.464 3.527 0 1 EHAF O=C(C1CCC1)N1CCC[C@H](c2nc(-c3cccc(Cl)c3)no2)C1 324560 SVDUTEHSNVPABA-AWEZNQCLSA-N 345.830 3.896 0 1 EHAF COc1cc2c(c(OC)c1O)C[C@H]1[C@@H](C2=O)c2ccccc2C1(C)C 13383519 XIHRWFBCNJIXNK-RDJZCZTQSA-N 338.403 3.839 0 1 EHAF biogenic C[C@@H]1Oc2cc3c(cc2C1(C)C)C[C@H](c1ccc(O)cc1O)CO3 13429496 ANHPMZQXTAKLGG-AAEUAGOBSA-N 326.392 3.875 0 1 EHAF biogenic O=C(NC(c1ccccc1)c1ccccc1)O[C@H]1CN2CCC1CC2 13674422 FVIWHTVYXWHHSP-IBGZPJMESA-N 336.435 3.596 0 1 EHAF CN(Cc1ccc(Cl)cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 13780499 FRFQXRJSNIEPST-KRWDZBQOSA-N 342.826 3.735 0 1 EHAF CC(C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O 14971010 ZYVQEHNABDHJGN-KRWDZBQOSA-N 328.364 3.708 0 1 EHAF in-vivo CN(C)c1ccc(-c2ccc(N)c(NC(=O)c3cccnc3)c2)cc1 29127095 WADCCYGQKLULGR-UHFFFAOYSA-N 332.407 3.649 0 1 EHAF CCCC(CCC)C(=O)OC[C@@H](CO)OC(=O)C(CCC)CCC 44712438 VRHHCIFJHPYESE-QGZVFWFLSA-N 344.492 3.867 0 1 EHAF in-vitro COc1ccc2[nH]c([C@@H]3CCN(Cc4ccccc4F)C3)nc2c1 51076777 DLRXSBDSHBIJFK-CQSZACIVSA-N 325.387 3.700 0 1 EHAF biogenic COc1cc(C)c2nc3[nH]nc(C)c3c(NCc3ccncc3)c2c1 73196552 WVFZLLHYILMVBO-UHFFFAOYSA-N 333.395 3.744 0 1 EHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](CCC(=O)O)C[C@H]2O 84670271 KUIIGYWWSATEKH-XSPCYIMESA-N 344.451 3.700 0 1 EHAF CSc1nc(Oc2ccccc2C(=O)O)cc(C(F)(F)F)n1 100982483 MANNPZSTVXHOHY-UHFFFAOYSA-N 330.287 3.708 0 1 EHAF CC[C@H]1C[C@H]2CN3CC[C@@H]4C(=Nc5ccccc54)[C@](C(=O)OC)(C2)[C@H]13 238781108 DVIHZCAJLDCNRW-SANBMSCWSA-N 338.451 3.540 0 1 EHAF CCOC(=O)c1ccc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2c1 586879829 NVIPTMJFBNRYCD-CSKARUKUSA-N 336.347 3.504 0 1 EHAF COc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1F 587175942 CVFWBJXMGRESHO-UHFFFAOYSA-N 326.306 3.647 0 1 EHAF COc1cc(C)c(N)c(-c2nc3c(C)c(Br)cnc3[nH]2)c1 587250112 TXQOWWQBFLAZHV-UHFFFAOYSA-N 347.216 3.595 0 1 EHAF COc1cccc(-c2cc(CC(N)=O)nc3c2oc2ccccc23)c1 587362358 IFSXBKSYEPNOPL-UHFFFAOYSA-N 332.359 3.684 0 1 EHAF CCn1nc(C(F)(F)F)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587383723 VIXGKMVJBROIJV-ZDUSSCGKSA-N 339.317 3.519 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3c(F)cc(F)cc31)O2 587386055 HRKJHIUTIAEGRS-IBGZPJMESA-N 345.345 3.889 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1CC(=O)OC)CC2=O 587480997 QIIYBFRLILPYHI-ZUOKHONESA-N 346.423 3.802 0 1 EHAF C[C@H]1Nc2ccccc2C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527057 SWAQJCSFLNDFEI-DMZKTXOQSA-N 347.414 3.966 0 1 EHAF Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587613152 NZRQCPPDHBEZFX-CRAIPNDOSA-N 339.372 3.860 0 1 EHAF COc1c(-c2ccc(F)c(F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649798 KPVYSEIOXVEFEK-UHFFFAOYSA-N 337.347 3.525 0 1 EHAF COCC(C)(C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587788920 AJBMQOATCXVUFD-XPTSAGLGSA-N 330.241 3.836 0 1 EHAF COCCCN1CCc2ccc(OC)cc2[C@@]12CC1CCC2CC1 961325059 PEPKHBJLKSHAPH-IAYYMHMVSA-N 329.484 3.995 0 1 EHAF COc1ccc2c(c1)[C@@]1(CC(C)(C)Cc3n[nH]cc31)N(C(C)C)CC2 962089507 KFKIJJWENDHUJJ-OAQYLSRUSA-N 339.483 3.901 0 1 EHAF CN1CCc2c(Br)cccc2[C@H]1c1n[nH]c2c1CCCC2 963289469 NSSVTPTWZJEQDE-KRWDZBQOSA-N 346.272 3.628 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cccc(-n2cccn2)c1 963634675 LJPZNADFIBCQNG-LHSJRXKWSA-N 349.434 3.513 0 1 EHAF COc1ccc2c(c1)CC[C@@H](C(=O)c1ccc(OC)c(OC)c1)C2 1857639186 WLQLXXALTLNETD-OAHLLOKOSA-N 326.392 3.700 0 1 EHAF CC/C(=C/c1ccc(OCCN(C)C)cc1)c1ccc(C(N)=O)cc1 1911572976 JLFQZVLDCLBKAJ-ICFOKQHNSA-N 338.451 3.677 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]2C1 2356562734 BTWJKKIMLXVHOF-DTKPQSEASA-N 332.440 3.953 0 1 EHAF C[C@@H]1CO[C@@]2(C)Oc3cc4c(cc3C[C@H]12)C[C@@H]1[C@H](C)CO[C@]1(C)O4 2356645826 GKWTWWJVLKOABN-ZLRAOWBDSA-N 330.424 3.554 0 1 EHAF CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4582493 JERGUCIJOXJXHF-CZUPSRJTSA-N 332.484 3.630 0 3 EHAF CCc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1 13132348 DEJWWXMHDWENOF-ROUUACIJSA-N 333.439 3.877 0 3 EHAF COc1cccc(Nc2nc([C@@H](N)Cc3ccccc3)cs2)n1 61904515 BHRXQISOAYNAGG-ZDUSSCGKSA-N 326.425 3.533 0 3 EHAF COc1ccc(Cc2[nH]n3c(=O)cc(C)nc3c2-c2ccccc2)cc1 103851345 WHXZLIRKKITWGQ-UHFFFAOYSA-N 345.402 3.597 0 3 EHAF COc1cc(O)c2c(c1[C@H]1CCCN1)O[C@@H](c1ccc(O)cc1)CC2 5998937 LEVIHKALYBTAAA-NVXWUHKLSA-N 341.407 3.597 0 1 EHAF biogenic CO[C@H](CNc1nncc(-c2cc(C)oc2C)n1)c1cccs1 12192597 DQBVCWYYLHWASQ-CQSZACIVSA-N 330.413 3.610 0 1 EHAF O[C@@](Cn1ccnc1)(c1ccccc1)c1ccc(-c2ccncc2)cc1 26848719 JDLZBBMNVPQSSQ-QFIPXVFZSA-N 341.414 3.881 0 1 EHAF Cc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1 27620306 BOPKRTFJHOPUEA-UHFFFAOYSA-N 333.526 3.893 0 1 EHAF O=c1c2cc(F)c(-c3ccc[nH]3)cc2n(C2CC2)c2snc(O)c12 28569993 FKWGLPTZAGIYTG-UHFFFAOYSA-N 341.367 3.786 0 1 EHAF O=C(CCCC1CCN(C(=O)C2CCCCC2)CC1)c1ncco1 29126383 QXXMHLXMCYBHMV-UHFFFAOYSA-N 332.444 3.847 0 1 EHAF COc1ccccc1/C=C/C(=O)CC(=O)/C=C/c1ccccc1OC 38985554 QAPUBEVAKIWUPS-PHEQNACWSA-N 336.387 3.959 0 1 EHAF CCSc1c(C)on(C(=O)N(c2ccc(F)cc2)C(C)C)c1=O 39158827 HKJUIHDRZRKURN-UHFFFAOYSA-N 338.404 3.884 0 1 EHAF CC[C@@H](C)[C@H](Cc1coc2nc(N)nc(N)c12)c1ccccc1OC 45350901 AYLKSELOGWVDPG-RISCZKNCSA-N 340.427 3.768 0 1 EHAF COc1ccc2cc3[n+](cc2c1Cl)CCc1cc2c(cc1-3)OCO2 95566009 DDRFXOOQEZCLEX-UHFFFAOYSA-N 340.786 3.741 0 1 EHAF CC(C)(C)c1ccc(-c2cccc3c(CNC(=N)N)ncnc23)cc1 96915146 CMOYKDMOEKAUIC-UHFFFAOYSA-N 333.439 3.577 0 1 EHAF CC1=CN([C@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@H]2C)C(=O)[C@H]2[C@H](C)CC[C@@H]12 100782484 QTRZXLVUEGDULY-BSTQGHMRSA-N 331.456 3.576 0 1 EHAF endogenous,in-man Cn1nc2c(c1C(=S)NCc1ccc(C(C)(C)C)cc1)CCC2 103183861 NGPAJMBVPQGDKT-UHFFFAOYSA-N 327.497 3.672 0 1 EHAF C[C@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NC3CC3)c2)c(F)c1 143900259 PHMCNCJVXQUZJK-NSHDSACASA-N 343.354 3.932 0 1 EHAF COC(=O)[C@@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@H]2CC=C[C@H]21 254011964 KKBJCVBSAUGNEH-ZAGNLHSGSA-N 328.383 3.912 0 1 EHAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@H](O)CC[C@]54C)[C@@H]2CC[C@H]13 299850323 QOQOHWIHMCTUKL-LVUHELDOSA-N 332.484 3.932 0 1 EHAF CCCCS(=O)(=O)N[C@@H](c1nc2cccc(Cl)c2[nH]1)C(C)C 586933641 USMLWMXJBYFWML-CYBMUJFWSA-N 343.880 3.633 0 1 EHAF O=C1CSc2ccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)cc2N1 587043243 JTAKAMYKVUOAEE-UHFFFAOYSA-N 335.310 3.691 0 1 EHAF CCc1cc(OCc2nc3ccc(C(=O)OC)nc3[nH]2)ccc1Cl 587052478 BWFMWEAQAFGHDT-UHFFFAOYSA-N 345.786 3.539 0 1 EHAF O[C@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1Cl 587057577 BVFXEXJQCCREAI-NSHDSACASA-N 328.586 4.000 0 1 EHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Cl)nc2[nH]1 587114927 ZNCZIVJXNWPTHU-JTQLQIEISA-N 340.736 3.873 0 1 EHAF N=c1ncc(-c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)c[nH]1 587255040 WFTIXJQFSAAQSR-UHFFFAOYSA-N 338.374 3.648 0 1 EHAF Oc1nc(O)c2ccc(-c3ccc(SC(F)(F)F)cc3)nc2n1 587368533 SGYCAONJBUXDBA-UHFFFAOYSA-N 339.298 3.715 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1n[nH]c4c(C)cc(F)cc14)[C@@H](C2)C3=O 587429369 UROSVRRABRBSCY-DJJJIMSYSA-N 338.338 3.508 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1cccc(OC)n1)CC2=O 587490762 ZMUMDEXMQLLYCR-FQEVSTJZSA-N 341.407 3.715 0 1 EHAF CC(C)(O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587515281 NGYAEQMWRCKDNB-GOSISDBHSA-N 337.419 3.894 0 1 EHAF COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587531420 FXKTXGMSOFQLDU-KRWDZBQOSA-N 326.348 3.652 0 1 EHAF Cc1nc(O)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587536082 QXRBOZOKYWVSLR-SFHVURJKSA-N 329.421 3.917 0 1 EHAF Nc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577363 KCLZGFDMIOREAU-YLJYHZDGSA-N 333.343 3.677 0 1 EHAF COC1=C[C@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587806403 AHGDZGHKPMMMRM-VFZGTOFNSA-N 326.209 3.642 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C)CCOCC2)N1 587835528 PHNSFHMKNVMOJQ-BONVTDFDSA-N 342.252 3.980 0 1 EHAF CCOc1ccc(OCC)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587945282 MNMAQNYXJXZEDJ-AWEZNQCLSA-N 340.326 3.908 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2[C@H]1CC(C)(C)CCC1=O 963642660 ZCHSBUYWTUGIIT-PTAUBWNISA-N 331.456 3.675 0 1 EHAF COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1ccc(F)cc1 1772598838 ICQSNTDFCNRKLY-GFCCVEGCSA-N 339.370 3.715 0 1 EHAF CC=C(COC(=O)C=C(C)C)C(=O)OCC=Cc1ccc(OC)cc1 2356444656 CVNWHGNSIXIBPG-UHFFFAOYSA-N 344.407 3.707 0 1 EHAF CCCCCCNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)C=CC(=O)C(C)=C2[C@H]1O 1617147 QRFOFKQJMULZHJ-KICYWODKSA-N 347.499 3.552 0 1 EHAF c1ccc(CCCN2CCC[C@@]3(CCN(C4CCOCC4)C3)C2)cc1 15063773 MJNKBMDSCARIDC-JOCHJYFZSA-N 342.527 3.586 0 1 EHAF COc1ccc(C2=NN(C(C)(C)C)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26566473 NWSUWPQBMXRCDD-GJZGRUSLSA-N 344.455 3.855 0 1 EHAF COc1ccc2c(c1)CN([P@](=O)(OC)c1ccccc1)CCS2 35278252 ABUFHFOAYXAOQU-JOCHJYFZSA-N 349.392 3.768 0 1 EHAF Cc1ccc(-c2ccc(S(=O)(=O)/N=c3/cccc(C)[nH]3)cc2)cc1 40973122 HOMLHQNAGCGLGR-UHFFFAOYSA-N 338.432 3.588 0 1 EHAF COC(=O)c1cc(CCc2cc(SC)ccc2OC)ccc1O 40977578 MRPRSAFKVBIQLZ-UHFFFAOYSA-N 332.421 3.695 0 1 EHAF COc1cccc(CNCc2coc(-c3ccccc3C)n2)c1OC 72182253 BRINPYUNLDMJOC-UHFFFAOYSA-N 338.407 3.957 0 1 EHAF CCN(CC)C(=O)[C@@H]1CCCc2c1c1cc(OC)ccc1n2CCF 82149004 RFJZJDYWSLNICW-OAHLLOKOSA-N 346.446 3.908 0 1 EHAF COC[C@@]1(O)[C@@]2(CCC[C@@H]2O)[C@@H]2CC[C@@]1(C)[C@@]2(C)C1CCCCC1 85545605 JXDQBFSPOGSUAB-CEGNMAFCSA-N 336.516 3.912 0 1 EHAF biogenic,in-vitro C[C@H](Oc1ccc(CCC(=O)O)cc1)c1nc(-c2cccs2)no1 97166000 NSDMNSNGHATNCO-NSHDSACASA-N 344.392 3.955 0 1 EHAF C[C@H]1C[C@H](C)CN(CCCn2cnc3c4ccccc4nc-3c2O)C1 103591781 KQGJPBKUKCWRFK-GJZGRUSLSA-N 338.455 3.610 0 1 EHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2F)n1 142150533 IFBKIRLAGGQRMT-SWLSCSKDSA-N 344.390 3.770 0 1 EHAF CC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255202171 CIUZTBJZAMUYJU-ZATBIGISSA-N 334.500 3.710 0 1 EHAF O=C1O/C(=C/c2nc3c(Cl)cnc(Cl)c3[nH]2)c2ccccc21 586906831 RMNIXNJIWOMIRQ-BJMVGYQFSA-N 332.146 3.933 0 1 EHAF Cc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1C 586979426 ZKPMZBNFDWGQPA-UHFFFAOYSA-N 333.233 3.804 0 1 EHAF CSc1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587034229 FEPDLBIXIHHFCZ-UHFFFAOYSA-N 343.477 3.765 0 1 EHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)c(F)cc2[nH]1 587042911 NLMNHHBQTOEAKV-LBPRGKRZSA-N 341.839 3.976 0 1 EHAF COc1cncc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c12 587136970 ZUNVCFFMWLAQAI-UHFFFAOYSA-N 330.363 3.532 0 1 EHAF CN(C)C(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587150333 CHDBGUKGLCFHGS-QWHCGFSZSA-N 341.361 3.814 0 1 EHAF Nc1ccc(/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 587251448 HNRBCCDRYQNIHI-UTCJRWHESA-N 339.708 3.729 0 1 EHAF Oc1nc(O)c2ccc(-c3ccc(-c4ccc(F)cc4)s3)nc2n1 587370441 WUIMKCUTFNOSJR-UHFFFAOYSA-N 339.351 3.971 0 1 EHAF COc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@H](C)C2 587407921 FQGHBRLYLZNCTG-WYRIXSBYSA-N 339.391 3.616 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)nc1N)CC2=O 587462526 QULVDZLCPBKYNW-CQSZACIVSA-N 332.787 3.682 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](CCc1cncc(F)c1)CC2=O 587471709 MMHXJEXADRZTPH-AWEZNQCLSA-N 329.371 3.845 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OCC)o1)CC2=O 587476426 CECGBNQAGJBACN-QGZVFWFLSA-N 344.363 3.821 0 1 EHAF Oc1nc(O)c2ccc(-c3ccc(Cc4ccccc4)cc3)nc2n1 587561451 QJUHEYLLKFKXRF-UHFFFAOYSA-N 329.359 3.694 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)cc2)N1 587747060 OXQYVLAJELHGFG-BMLIUANNSA-N 349.247 3.968 0 1 EHAF COc1ccc2c(c1)C[C@H](c1nc3cc(OC)c(F)cc3[nH]1)CC2 587937536 MPUIGOFVPATUCC-GFCCVEGCSA-N 326.371 3.992 0 1 EHAF COc1cc2c(cc1OC)[C@@H](c1c(N)cc(F)cc1F)N(C)[C@@H](C)C2 962643698 XSKRLVXIEIOVSK-OVWNDWIMSA-N 348.393 3.530 0 1 EHAF O=C(O)c1cccc2c1CCN[C@]2(c1ccc(F)c(Cl)c1)C1CC1 963119701 HKRIVJDMANQUBE-IBGZPJMESA-N 345.801 3.977 0 1 EHAF COc1ccc(C(=O)Nc2nccn3cc(-c4ccccc4)nc23)cc1 1772654056 RVRPPATWEMYJLU-UHFFFAOYSA-N 344.374 3.657 0 1 EHAF COc1cccc(/C=C/CN(C)Cc2ccc3c(c2)OCCO3)c1 1857538201 RQJBESMYGDVGEC-GQCTYLIASA-N 325.408 3.612 0 1 EHAF O=c1cc(Sc2cccc(-c3ccc(Cl)cc3)c2)nc(O)n1O 1857765320 JWNGNXCNIMNVGU-UHFFFAOYSA-N 346.795 3.658 0 1 EHAF CCN(CCc1ccccc1)C(=O)C(=O)CCc1ccc(Cl)cc1 1911572034 NRRPTUSBUXMISU-UHFFFAOYSA-N 343.854 3.933 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1cccc(SC)c1 2356552636 XWLRIWWRWZXNSY-YCPHGPKFSA-N 333.501 3.650 0 1 EHAF CC(C)CCNC(=O)[C@@H](C)N1C(=O)CC(C)(C)Sc2ccccc21 6820353 LNIYQLQCDXKBIM-CQSZACIVSA-N 348.512 3.845 0 1 EHAF NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1 13440142 NDGXLFMTOPBCAY-NRFANRHFSA-N 343.430 3.507 0 1 EHAF O=C(O)c1ccccc1-c1ccc(CN2C=NC3(CCCC3)C2=O)cc1 13833583 UNTVEUKERKKKGW-UHFFFAOYSA-N 348.402 3.735 0 1 EHAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)C[C@H](CC2CCCCC2)O3)S1 26946893 FHIFNHSHFZBCSX-DOTOQJQBSA-N 345.464 3.855 0 1 EHAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)CC[C@H](C2CCCCC2)O3)S1 26962912 JFWPCWZTIJKSEU-NVXWUHKLSA-N 345.464 3.855 0 1 EHAF O=C1NCCn2c(-c3cccc(Cn4cccc4)c3)cc3cccc1c32 28395170 GHZKAWUMZVOORN-UHFFFAOYSA-N 341.414 3.902 0 1 EHAF CCCc1cccc2c1n(C)c(=N)n2CC(=O)c1ccc(Cl)cc1 29128141 JDZGIFFBNRYBOR-UHFFFAOYSA-N 341.842 3.948 0 1 EHAF COCc1c(OC)cc(OC)c2c1O[C@H](c1ccccc1)CC2=O 35465819 FIQXXBDHOGNFHK-HNNXBMFYSA-N 328.364 3.557 0 1 EHAF biogenic Ic1ccccc1C1=N[C@H](c2ccccc2)CO1 40567325 WETOVIQWBQGOAH-AWEZNQCLSA-N 349.171 3.809 0 1 EHAF Cc1cc(C)c(NC(=O)[C@H]2CCCC[C@H]2C)cc1CN1CCOCC1 45245654 UZYWZYRCHHGYCC-BEFAXECRSA-N 344.499 3.900 0 1 EHAF NC(=O)c1nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c[nH]1 58580883 FNXJLFFFNIDKMC-UHFFFAOYSA-N 331.297 3.861 0 1 EHAF O=C(N[C@H](CCO)c1ccccc1)c1ccc(-c2ccncc2)cc1 59096992 XZVLUQDUOAWQMB-HXUWFJFHSA-N 332.403 3.602 0 1 EHAF CCN(C)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1 82134237 NOVCJRQMAUMEJQ-UHFFFAOYSA-N 346.434 3.848 0 1 EHAF CC[C@H](C)Nc1ncc(C(=O)N2CCCC2)c(-c2ccccc2F)n1 82152137 IMTKLJNVZOOFLF-ZDUSSCGKSA-N 342.418 3.729 0 1 EHAF Cc1cc(Cl)cc2c([C@@H](O)c3ccccn3)c3c(C)n[nH]c3nc12 82155062 OUEWVUKWTPRXNZ-KRWDZBQOSA-N 338.798 3.858 0 1 EHAF CCCC1=Nc2ncnn2[C@H](c2ccc(F)cc2)/C1=C(\O)OCC 101502894 UWTOUOQQPQIUCA-DPEHCCBOSA-N 330.363 3.699 0 1 EHAF CN(c1ccc2c(c1)Cc1c(-c3ccoc3)n[nH]c1-2)[C@H]1CC[C@H](O)CC1 101800081 XHSJMPPBEZWNBF-WOVMCDHWSA-N 349.434 3.981 0 1 EHAF CC(=O)C[C@]1(O)c2ccccc2-n2ccc3c4ccccc4nc-3c21 138944337 FMBFXCZLVADMCC-NRFANRHFSA-N 328.371 3.659 0 1 EHAF C[C@H]1C[C@H]2CCC[C@@H]2[C@@]2(O1)C(=O)Nc1cccc(Br)c12 169355910 PPUCNCZUATVEEY-BBKSZCTCSA-N 336.229 3.822 0 1 EHAF O=S(=O)(Nc1cc(F)c(Cl)c2cccnc12)c1ccccc1 205628746 SJZGOFQUWOCXMK-UHFFFAOYSA-N 336.775 3.828 0 1 EHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(Cl)ccnc2[nH]1 586881750 IJCKKOPCWCCVHT-UHFFFAOYSA-N 327.771 3.540 0 1 EHAF CC[C@H](O)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 586901430 UNFWPPOZLFBJAY-ZDUSSCGKSA-N 343.358 3.676 0 1 EHAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(Br)cc2[nH]1 586906429 CZVBCKVDQZLHJY-SECBINFHSA-N 345.196 3.906 0 1 EHAF COc1ccc2nc(-c3nc4cc5c(cc4[nH]3)OCO5)sc2c1 587035248 OKPAQSRSRIZLJW-UHFFFAOYSA-N 325.349 3.577 0 1 EHAF FC(F)(F)COc1cc(-c2nc3cc(Cl)ncc3[nH]2)ccn1 587092514 VBUYAIZUEJMXDB-UHFFFAOYSA-N 328.681 3.614 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)nc1)O2 587374359 XGMXBPWGVPOPGX-MRXNPFEDSA-N 347.212 3.615 0 1 EHAF COC(=O)CCCC[C@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401338 WGTOLRYXZIKRDD-ORAYPTAESA-N 333.428 3.671 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(F)F)[C@@H](C2)C3=O 587423609 UCVCXOMKGYNXPU-DJJJIMSYSA-N 346.329 3.828 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(C)nc4scc(C)n14)[C@@H](C2)C3=O 587453923 SQYDKMLSOJEGPU-YVEFUNNKSA-N 340.404 3.510 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc(Cl)cc1)CC2=O 587462544 PCYPBPKYSZFDMM-IBGZPJMESA-N 346.810 3.851 0 1 EHAF O=C(O)CCC(=O)Nc1c(-c2ccccc2F)[nH]c2cc(F)ccc12 587634737 PHBDFOXTWOATMV-UHFFFAOYSA-N 344.317 3.916 0 1 EHAF CCOc1ccccc1OCc1nc2cc(OC)c(OC)cc2[nH]1 587779856 GYRZYDPPJZTXHZ-UHFFFAOYSA-N 328.368 3.558 0 1 EHAF CC[C@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587825278 CLJJZISZKABBHS-BJOHPYRUSA-N 344.224 3.593 0 1 EHAF c1ccc(-c2c3c(nc4nc(N5CCOCC5)sc24)CCC3)cc1 1857598019 LKCNBULBTLQAPF-UHFFFAOYSA-N 337.448 3.684 0 1 EHAF CC1=CCC[C@]2(C)[C@H]3CC[C@@](C)(O3)[C@@H]2CC2=C(C)C(=O)O[C@@]2(O)C1 2356436974 CBMQMSLEHCTTCY-AFKBCAQJSA-N 332.440 3.642 0 1 EHAF CC=C(C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CCC3=C(C)CC[C@H]21 2356720060 OXXDMPVAKVTTPQ-WWNBULGVSA-N 330.424 3.873 0 1 EHAF CCCN1C(=O)CN(C2CCC(C)CC2)C(=O)[C@@H]1c1ccc(C)cc1 217229 KYNJJILXPDIHSB-NLPFYKDJSA-N 342.483 3.696 0 1 EHAF CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccccc2)NC(=O)N1C 321696 DWPSISLSMNJBAE-SFHVURJKSA-N 335.407 3.604 0 1 EHAF O=C1c2ccccc2CN1CCC1CCN(Cc2ccccc2)CC1 3814251 HTZVJSOFOPIELV-UHFFFAOYSA-N 334.463 3.945 0 1 EHAF C[C@@H]1CCC[C@H](NC(=O)Cn2cccc2C(=O)c2ccccc2)[C@@H]1C 5142311 NDXAYMJKOPRLOU-NUJGCVRESA-N 338.451 3.660 0 1 EHAF Cc1cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)ccn1 13489750 HVMLRZOTPVNECO-UHFFFAOYSA-N 328.379 3.776 0 1 EHAF CC(=O)NC[C@@H]1CCCc2c1c1cc(OC(F)(F)F)ccc1n2C 13777808 OHZCSWVNDUVLFN-NSHDSACASA-N 340.345 3.633 0 1 EHAF O[C@@H]1CCN([C@@H]2CCCC[C@H]2OCCc2cccc3ccccc23)C1 28653870 YGFOYGMYBHFEOM-CEMLEFRQSA-N 339.479 3.777 0 1 EHAF CCN(CC)CCOC(=O)[C@@](C)(c1ccccc1)c1ccc(O)cc1 29321823 WFXACEPWPCLBGC-NRFANRHFSA-N 341.451 3.583 0 1 EHAF CCCC[C@@]12C[C@]1(C(=O)NC(C)C)C(=O)Nc1ccc(Cl)cc12 34821552 SDMBZJATDBGDMX-ROUUACIJSA-N 334.847 3.635 0 1 EHAF O=C(Cc1c[nH]c2ccc(O)cc12)N1CCC(Cc2ccccc2)CC1 40861978 RMJMQVDHIKXFHP-UHFFFAOYSA-N 348.446 3.897 0 1 EHAF N#Cc1ccc2nc([C@@H]3CCN(Cc4ccc(F)c(F)c4)C3)[nH]c2c1 51076825 VEIRQEYHSPVZJZ-CQSZACIVSA-N 338.361 3.702 0 1 EHAF biogenic CN1CCC[C@@H]1COC(=O)c1csc(-c2ccc(Cl)cc2)n1 52748577 DVYLICXCALKSRU-CYBMUJFWSA-N 336.844 3.715 0 1 EHAF O=C1CS[C@@H](c2ccc(Cl)cc2)c2c(ccc3[nH]ncc23)N1 73221123 GQCQSCHRTJGEPG-INIZCTEOSA-N 329.812 3.991 0 1 EHAF CC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C 95099522 XJVNAZVHBATLOY-KOWYNTSXSA-N 333.516 3.677 0 1 EHAF biogenic,in-vitro O=C(Nc1ccccc1)Nc1ccc(Oc2ncnc3[nH]ncc23)cc1 95586071 ZCBKNYPBRJBNLL-UHFFFAOYSA-N 346.350 3.789 0 1 EHAF CC[C@]1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2O1 96906005 LBKFHZJTQVZXBJ-FQEVSTJZSA-N 330.391 3.504 0 1 EHAF O=C(O)c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)cc1 100068481 FOVBISOEDSHADX-UHFFFAOYSA-N 347.349 3.936 0 1 EHAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)N1CCCCC1)[C@H](c1ccc(Cl)cc1)C2 100728716 MEFDIGWKZIICLQ-FCGDIQPGSA-N 346.902 3.919 0 1 EHAF CCC[C@@H]1CC(=O)C[C@@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@@H]13 100799946 JMRCYEFEEQSEKU-DOVSJBTNSA-N 327.468 3.589 0 1 EHAF Cn1cnc2cc(-c3ccc(C(C)(C)C)cc3)nc(NC3CC3)c2c1=O 115624227 RAUDVQZQKAWPSH-UHFFFAOYSA-N 348.450 3.867 0 1 EHAF COc1ccc(OC)c(CNC(=O)/C=C/c2c[nH]c3ccccc23)c1 169350811 VAERCMXGEZPFQA-JXMROGBWSA-N 336.391 3.515 0 1 EHAF c1ccc(OC[C@H]2[C@H]3CN(Cc4cnc5ccccc5c4)C[C@@H]23)cc1 253668568 YDELNLPCFPCQQX-WKCHPHFGSA-N 330.431 3.992 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4C[C@H](O)C(=O)[C@@]4(C)CC[C@H]32)C1 255205446 DEFGFJXDFQPYFM-QYQWGMGISA-N 348.483 3.501 0 1 EHAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]12C 299872634 QIVOTMOKECOCJC-CZYZYLBHSA-N 334.500 3.566 0 1 EHAF Cn1ccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986994 ISDABPFBIOFWGQ-UHFFFAOYSA-N 327.343 3.552 0 1 EHAF Cc1ccnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 587007267 PKDJQNHQBSPSNG-UHFFFAOYSA-N 328.173 3.572 0 1 EHAF CCS(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587163921 VMLNZTXJHNIWIE-CABCVRRESA-N 344.411 3.767 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3cccs3)n(C)n1)O2 587411188 BPICSSQGXJTDAD-INIZCTEOSA-N 339.420 3.746 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ncc1Cl)[C@@H](C2)C3=O 587421576 QBKXJKZIEAJRBB-MGPLVRAMSA-N 336.174 3.886 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CO)(c1ccccc1Cl)CC2=O 587461373 JWPYWTJVKYMMSC-IBGZPJMESA-N 346.810 3.851 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncc(F)c1 587572268 USZBLZWBLJCKKW-LPHOPBHVSA-N 337.306 3.629 0 1 EHAF CCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587578032 PQQVMAMXAKYTFK-XLIONFOSSA-N 335.359 3.917 0 1 EHAF Cc1ccc([C@]2(c3ccccc3F)NCCc3c(C)ccnc32)cn1 963064587 AWPZUJBSJXWVPE-OAQYLSRUSA-N 333.410 3.670 0 1 EHAF O=C(Nc1ccc(-c2ccccc2)cn1)c1cnc2cccnc2c1 1772586189 PWJKYICGFMUSGG-UHFFFAOYSA-N 326.359 3.944 0 1 EHAF Cc1ccc([C@H]2S[C@@H](C)C(=O)Nc3cc4c(cc32)OCO4)cc1 1772647638 YPZHHKSPKYTTJY-APPDUMDISA-N 327.405 3.887 0 1 EHAF CC(=O)N1c2ccc(C(N)=O)cc2[C@@](C)(c2ccccc2)CC1(C)C 1772649124 NWOPZZXYRMPIBH-OAQYLSRUSA-N 336.435 3.627 0 1 EHAF Cc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1F 1857546006 FFVUMSLOQDFOLK-UHFFFAOYSA-N 336.330 3.948 0 1 EHAF FC(F)(F)c1n[nH]cc1-c1nc(NC2CCCC2)c2ccncc2n1 1857594979 UFYSVZDHPHLSEY-UHFFFAOYSA-N 348.332 3.788 0 1 EHAF CC(C)(C)c1noc(-c2ccccc2)c1C(=O)N[C@H]1CCCC[C@@H]1O 775477 LIBYZTUVJRDESV-GJZGRUSLSA-N 342.439 3.672 0 1 EHAF Cn1c2ccccc2c2nnc(NCCc3c[nH]c4ccccc34)nc21 6781703 FUHTXHAEVBCQAR-UHFFFAOYSA-N 342.406 3.652 0 1 EHAF C[C@@H]1Oc2cc3c(cc2C1(C)C)C[C@@H](c1ccc(O)cc1O)CO3 13429492 ANHPMZQXTAKLGG-WCQYABFASA-N 326.392 3.875 0 1 EHAF biogenic CCCCc1nc2[nH]ncc2c2nc(-c3ccc(CCC)cc3)nn12 27209696 MTVNWEBRILZLFJ-UHFFFAOYSA-N 334.427 3.963 0 1 EHAF COc1cc(C(=O)c2c[nH]c3cc(F)ccc23)cc(OC)c1OC 28458938 LCGWNIJLEDASEC-UHFFFAOYSA-N 329.327 3.564 0 1 EHAF CO/C=C/[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 28569920 OTRGSZVOULSZGL-ROLIKTLVSA-N 332.484 3.811 0 1 EHAF CCOc1ccccc1-c1nc(C(=O)OCCCCN(C)C)cs1 82075145 WQIYQYMXPZZFRH-UHFFFAOYSA-N 348.468 3.707 0 1 EHAF CC[C@]1(C(=O)NCCc2ccc(F)cc2F)[C@H](C)C1(Cl)Cl 103296523 ZYVQQTXXYQSUNB-LKFCYVNXSA-N 336.209 3.844 0 1 EHAF CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(O)cc1 103666539 ICGLBWDAWFIOEK-HMNTXPNISA-N 335.363 3.853 0 1 EHAF CN(C)C(=O)Nc1ccc(-c2ccc(NC(=O)N(C)C)cc2)cc1 196142208 PZQJISGPHMBNPB-UHFFFAOYSA-N 326.400 3.541 0 1 EHAF CC1(C)C(=O)[C@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@H]1C3 238739470 JCSHAZPWEHTAMT-SPPLDABVSA-N 348.483 3.660 0 1 EHAF CN(C)CCOc1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586891077 SDUYPBKKAUPTFG-PGRDOPGGSA-N 347.462 3.875 0 1 EHAF CCCCS(=O)(=O)N[C@H](c1nc2c(C)ccc(C)c2[nH]1)C(C)C 586932573 HHUTYMNMGKIFEM-AWEZNQCLSA-N 337.489 3.596 0 1 EHAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(C(=N)N)cc2[nH]1 587067220 ZCSCRFKFGVIZAZ-UHFFFAOYSA-N 342.830 3.820 0 1 EHAF Cc1csc([C@](O)(Cc2nc3cccc(C)c3[nH]2)C(F)(F)F)n1 587093794 GVXPJURSUSOVLC-CQSZACIVSA-N 341.358 3.629 0 1 EHAF Cc1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2n1 587225547 XSCZPSPBOBZVOQ-GOSISDBHSA-N 342.402 3.786 0 1 EHAF COc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2n1 587232184 MWOOIPWYUNIOON-UHFFFAOYSA-N 334.379 3.516 0 1 EHAF CCOC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357497 USBGAHQBWULBOY-RVSXGSNBSA-N 342.366 3.828 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(F)F)O2 587382192 JXZLFXLFHCNCHY-MRXNPFEDSA-N 333.334 3.928 0 1 EHAF CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401764 YCCBJWCDDXMLSP-FXAWDEMLSA-N 345.439 3.671 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Br)cs1)O2 587414713 VDCFYQZCSZJDAA-JTQLQIEISA-N 339.214 3.503 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccc4)[nH]1)[C@@H](C2)C3=O 587436783 AQXNYZUAOPPAHB-IFXJQAMLSA-N 332.359 3.574 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCC4CC4)c1)[C@@H](C2)C3=O 587443283 NKPYATOPGRMQMY-UWJYYQICSA-N 336.387 3.973 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cn3cccc(F)c3n1)CC2=O 587471991 OEWGKWZVODMLBE-KRWDZBQOSA-N 340.354 3.838 0 1 EHAF COC1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587812442 QUUYUJDICJMZHS-WCVRRQIGSA-N 342.252 3.907 0 1 EHAF COC(=O)c1ccc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 587947546 XUCPXRONECPCIZ-ZDUSSCGKSA-N 336.391 3.631 0 1 EHAF Ic1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 587966426 FJVFIBVMIKQIKF-IQJOONFLSA-N 336.176 3.847 0 1 EHAF CC(=O)C[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 957605601 IJLKMWOHASEYKD-RDJZCZTQSA-N 342.778 3.821 0 1 EHAF Cc1c(F)ccc2c1[C@@](c1cccc(F)c1)([C@H](C)CC(=O)O)NCC2 962094865 TWPXYCHDBCEXQU-ODXCJYRJSA-N 345.389 3.773 0 1 EHAF C[C@]1([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)CCCO1 962704729 LNXHPPDDAQYACF-NIKGAXFTSA-N 335.488 3.974 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC(=O)C2CC2)(C(F)F)N1 962939515 BNAAXUPTDPKAMT-HXPMCKFVSA-N 332.394 3.922 0 1 EHAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(=O)C(C)C)C(=O)OCC 963225576 FLKAQYDEYPAKFO-KKSFZXQISA-N 345.483 3.717 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2[C@H]1CC(C)(C)CCC1=O 963642657 ZCHSBUYWTUGIIT-PJFSTRORSA-N 331.456 3.675 0 1 EHAF O=C1CSC(=O)N1Cc1ccc(Sc2nc3ccccc3[nH]2)o1 1857534639 QXLZMRCNTHGEAR-UHFFFAOYSA-N 345.405 3.503 0 1 EHAF C[C@@H]1CCCCCCCCCCCC[C@@H](O)[C@@H](O)C=CC(=O)O1 2356319845 KCGTVVRNFOGCSR-KURKYZTESA-N 326.477 3.891 0 1 EHAF CCOC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)C(C)(C)C)C=C1C 2356321171 UIMHGVXJCBCURJ-GVDBMIGSSA-N 337.504 3.957 0 1 EHAF CC(=O)CCCCCCC[C@H](C[C@@H]1C(=O)O[C@H](C)[C@H]1O)C(C)C 2356772722 HDNGESHGKXJWJR-ZJPYXAASSA-N 326.477 3.891 0 1 EHAF CC(C)OCCCNC(=O)c1ccc2c(c1)ncn2C1CCCC1 37868661 PMGPKXLWWXQYPB-UHFFFAOYSA-N 329.444 3.696 0 3 EHAF c1cc(-c2cc3c(o2)CCC[C@@H]3OCCN2CCOCC2)cs1 95568271 YWAGGARONPNIQP-INIZCTEOSA-N 333.453 3.734 0 3 EHAF CCN(CC)CCN1CCN(c2ccccc2)c2ccccc2C1=O 1845109 DUKOQRXNBYNJED-UHFFFAOYSA-N 337.467 3.622 0 1 EHAF O=C(NCCC1CCN(CCc2ccccc2)CC1)c1ccccc1 13745787 ABLICWWFFSGNEZ-UHFFFAOYSA-N 336.479 3.761 0 1 EHAF Cc1cc2c(cc1Br)N(C(=O)Nc1cccnc1)CC2 13779435 LOLNBESEFOMRHG-UHFFFAOYSA-N 332.201 3.747 0 1 EHAF COc1cc2cc(C(=O)CCc3cc[n+](C)cc3)sc2cc1OC 13818067 QGDFTXPKVNLAAU-UHFFFAOYSA-N 342.440 3.559 0 1 EHAF COc1c(C(C)C)ccc2c1[C@@H](O)C[C@H]1C3=C(CC[C@]21C)C(=O)OC3 14823656 OMQCFSSTPCOICJ-XGHQBKJUSA-N 342.435 3.777 0 1 EHAF CC(C)=CCCC1=C[C@@H](C/C(C)=C/CC/C(=C/CO)CO)OC1=O 15113946 QNEQTAOUNJRRBL-LMMFWFPESA-N 334.456 3.612 0 1 EHAF CC(C)NC[C@@H](O)COc1ccc(CCSCC2CCC2)cc1 25967015 RMBHCLXFPKGGOX-GOSISDBHSA-N 337.529 3.500 0 1 EHAF O=C1C[C@@H](c2ccccc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27094808 KNSYTOLHUVRIPV-LBPRGKRZSA-N 339.778 3.805 0 1 EHAF CC(C)(C)C(=O)c1ccc(Cc2c(O)n[nH]c2C(F)(F)F)cc1 27311654 PLAQPIQUXHFVEQ-UHFFFAOYSA-N 326.318 3.954 0 1 EHAF CCOC(=O)C1=CN(CCC=C(C)C)C(=O)N[C@H]1c1ccccc1 38142389 FOKOGXUAISCRLK-KRWDZBQOSA-N 328.412 3.556 0 1 EHAF O=C(O)c1ccc2c(c1)S(=O)(=O)C(c1ccoc1)=C2C1CCCC1 40575795 MMYJCACUSCQHJG-UHFFFAOYSA-N 344.388 3.824 0 1 EHAF CCN(c1ccc(-c2csc(C(C)(C)C)n2)cc1)S(C)(=O)=O 55049368 SIPSNRBAKSLUOW-UHFFFAOYSA-N 338.498 3.894 0 1 EHAF COc1ccc(CCNCc2coc(-c3ccc(F)cc3)n2)cc1 72183367 VSJSHCMMIRXVMH-UHFFFAOYSA-N 326.371 3.822 0 1 EHAF CC[C@@H](NC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)C(=O)c1nc2ccccc2o1 100731834 YIPXRUISNFPJLA-APIJFGDWSA-N 340.423 3.732 0 1 EHAF CCOc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1 103261293 KIAHAWDPHGYPJL-IBGZPJMESA-N 335.407 3.688 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3ccc(O)cc3CC[C@@H]21 117623470 MUKAIKNFWZOKFG-XLIONFOSSA-N 347.418 3.603 0 1 EHAF O=C1O[C@@H](c2ccccc2Cl)CN1c1ccc2c(c1)CCNC2 169347332 NWTOGRGGXBLAOZ-QGZVFWFLSA-N 328.799 3.684 0 1 EHAF COc1cc(C2=C(c3ccc(O)cc3)CN3CCC[C@@H]3C2)ccc1O 238742921 QAYMESRTGILCFQ-MRXNPFEDSA-N 337.419 3.885 0 1 EHAF Fc1cc(Br)c2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 586918179 KVELRPCBHPIGCO-ZDUSSCGKSA-N 349.159 3.977 0 1 EHAF O=[S@@](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)CC1CC1 586959618 OJUSUBWVWCHHKI-OAQYLSRUSA-N 336.766 3.894 0 1 EHAF COc1cc2nc(Cc3ccc(Br)c(C)c3)[nH]c2cn1 586975395 BQJHIVXACZGXBU-UHFFFAOYSA-N 332.201 3.628 0 1 EHAF N[C@H](N=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079391 DHJCJVJPMCXOGU-LSDHHAIUSA-N 328.759 3.616 0 1 EHAF Nc1ncc(Cl)nc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587088477 XOHTUZDHXVJVFU-UHFFFAOYSA-N 345.737 3.867 0 1 EHAF Cc1ccc2c3c(cc([C@H]4CCOC4=O)nc13)-c1ccccc1C2=O 587101820 QKIZMFSNJVBDCD-CQSZACIVSA-N 329.355 3.785 0 1 EHAF C[C@@]1(c2nc3ccc(F)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173574 FKKYANAQTLQPLK-KRWDZBQOSA-N 332.281 3.609 0 1 EHAF Ic1cccc(/C=C\c2nc3cccnc3[nH]2)c1 587184001 NHBFXCLDMVPNHL-SREVYHEPSA-N 347.159 3.733 0 1 EHAF COC(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587243821 RHGRBMSYLRSXQE-UHFFFAOYSA-N 347.277 3.730 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1n[nH]c3c(C)cc(F)cc13)O2 587386247 XBZRHOUICUUYBO-HNNXBMFYSA-N 325.343 3.608 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3ccnc3C)cc1)O2 587391102 PNQXRNCKKKXFAP-IBGZPJMESA-N 333.391 3.778 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ncccn4)cc1)[C@@H](C2)C3=O 587436321 NVHKENRYOLPULS-JXFKEZNVSA-N 344.370 3.641 0 1 EHAF CCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444482 ZHPDCDWLQHLGLY-STXHMFSFSA-N 346.423 3.571 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c1ccn3C)CC2=O 587478995 XPKJLSSTSGFJGH-HXUWFJFHSA-N 325.408 3.880 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 587489711 OQQIVPCEWRDRHI-OLGNTAMBSA-N 336.431 3.827 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)s1)CC2=O 587492258 BLTCEFRVTGWUCB-CQSZACIVSA-N 346.404 3.899 0 1 EHAF Cc1nn(C)cc1[C@@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587505522 LPXUZZJIBXHWPS-LJQANCHMSA-N 346.377 3.733 0 1 EHAF Oc1nc(O)c2ccc(-c3ccc4c(c3)-c3ccccc3C4)nc2n1 587561778 KYZQLTZMWFWJBJ-UHFFFAOYSA-N 327.343 3.674 0 1 EHAF Cc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852782 IWZWMTJBPWQLMZ-UOWDBTKRSA-N 341.249 3.977 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C[C@@H](O)CC 587865728 GYVMKZPUHRVMFT-ZDUSSCGKSA-N 328.334 3.739 0 1 EHAF C=C(c1ccccn1)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867347 BTYUPDNILMRHPC-UHFFFAOYSA-N 346.312 3.887 0 1 EHAF Cc1nn([C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1Cl 587874384 YGVCWYHJDISRIG-SECBINFHSA-N 346.749 3.855 0 1 EHAF COc1ccc(OC)c2oc(-c3cn4nc(SC)sc4n3)cc12 653678248 GLMZSMRQUFSECY-UHFFFAOYSA-N 347.421 3.943 0 1 EHAF C[C@]1([C@H]2CCCO2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644923 XWFGMKMEDYFFIJ-YMPZKCBVSA-N 348.490 3.828 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1c2ccc(C)c1C 962939989 CQFKRWOYPZVSHR-RCDICMHDSA-N 345.446 3.905 0 1 EHAF COc1cc([C@H]2NCCc3ccc(O)cc32)ccc1OCC=C(C)C 963351368 GTYADTMFHLPHAO-OAQYLSRUSA-N 339.435 3.981 0 1 EHAF CCCCCCn1c(CCC)nc2cc(NS(C)(=O)=O)ccc21 1772618561 LPBFMWOFASEALI-UHFFFAOYSA-N 337.489 3.941 0 1 EHAF Cc1cccc(-n2ccc(OC[C@@H](C)Oc3ccccc3)cc2=O)c1 1857565015 JKJARKIDDGDMGJ-QGZVFWFLSA-N 335.403 3.992 0 1 EHAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(N)cc21 1857610681 ZWMJMTNSODRNLX-UHFFFAOYSA-N 343.430 3.923 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@H]1[C@]23C 2356690824 MDGQYVICUGZAQD-ONEYNCSZSA-N 344.407 3.653 0 1 EHAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@@H](C)[C@H]2CC[C@@](C)(O)[C@@H](CC1)O2 2356861442 UIXXPUQGCNBHRT-JQAJVKEVSA-N 334.456 3.683 0 1 EHAF CO[C@@H]1C(Cc2c[nH]c3ccccc23)=NC(O)=C(CC(C)C)N1O 2356873755 YIMWOMBMAFGLKT-GOSISDBHSA-N 329.400 3.602 0 1 EHAF O=C(O)[C@H]1CS[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 2472413 RFPLLRQQWKGVCB-HZPDHXFCSA-N 349.839 3.707 0 1 EHAF CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)Nc1ccc(C)c(C)c1)[C@H]2C(=O)O 4167125 XUGIJGUMARNJGR-MVJTYMMSSA-N 327.424 3.935 0 1 EHAF O=[S@](Cc1ccccn1)c1nc2c(-c3ccccc3)scc2[nH]1 13448894 CFQRQGYOJHAVOB-QHCPKHFHSA-N 339.445 3.994 0 1 EHAF O[C@@]1(c2ccc(Cl)cc2)c2cc3ccccc3cc2C2=NCCN21 13491117 UEQXHKUXJZQGHV-FQEVSTJZSA-N 334.806 3.762 0 1 EHAF C[C@H](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)c1ccc2c(c1)OCO2 14646496 CQXBMXDDWLNDQB-CHWSQXEVSA-N 340.375 3.842 0 1 EHAF biogenic C[C@H]1Oc2cc(O)c3c(c2C1(C)C)O[C@H](c1ccc(O)cc1)CC3=O 14825091 KITUBOBTRYFYBY-BMIGLBTASA-N 340.375 3.863 0 1 EHAF biogenic CCN(CC)c1cc(C)nc2nc(SCc3ccccc3)nn12 27430441 NMWDJWWJGNXOOH-UHFFFAOYSA-N 327.457 3.571 0 1 EHAF Cc1cc([C@@H](c2ccccc2OC(C)C)N2CCN(C)CC2)sn1 28255591 AEVOWZVWPUKAOL-LJQANCHMSA-N 345.512 3.576 0 1 EHAF COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCCC2)cc1OC 28653881 GFEAFIVEZCBUNS-QZTJIDSGSA-N 333.472 3.670 0 1 EHAF CNCC[C@H](c1ccccc1)c1ccc(OCCN2CCCC2)cc1 64448694 JOSMNLLYOHOBPW-JOCHJYFZSA-N 338.495 3.903 0 1 EHAF Fc1ccc(-c2cc3c(ncn4ncnc34)n2-c2ccccc2)cc1 64453362 WLNBFAXQVWIKBP-UHFFFAOYSA-N 329.338 3.874 0 1 EHAF CC[C@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccco2)n1 82142175 DFQGVTJEQNCPMI-ZDUSSCGKSA-N 330.432 3.675 0 1 EHAF CCOP(=O)(CCCCC(=O)Nc1cccc(O)c1)OCC 96907972 ZYBOSPRNTCYIJY-UHFFFAOYSA-N 329.333 3.767 0 1 EHAF COc1ccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)cc1 114338779 UGTSHNFNZYDEGQ-GOSISDBHSA-N 333.435 3.930 0 1 EHAF Cc1ccn(CCCCCCCCn2ccc(C)cc2=N)c(=N)c1 144734077 QANODTLTERCEJB-UHFFFAOYSA-N 326.488 3.906 0 1 EHAF C[Si](C)(C)C[C@@](O)(Cn1cncn1)c1ccc(C(F)(F)F)cc1 195860662 OQARAYDZZHNFIG-AWEZNQCLSA-N 343.425 3.523 0 1 EHAF Oc1cc2c(cc1Br)[nH]c1c(C3=CCCN3)nccc12 238750129 CPKFGFLZVMVJQT-UHFFFAOYSA-N 330.185 3.518 0 1 EHAF Cc1c(-c2nc3nccc(Br)c3[nH]2)oc2c1[C@H](O)CCC2 586905332 LGOHQHDHGLUMJZ-SECBINFHSA-N 348.200 3.659 0 1 EHAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(Br)cc2[nH]1 586906430 CZVBCKVDQZLHJY-VIFPVBQESA-N 345.196 3.906 0 1 EHAF Cc1cnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 587006196 APSMRAUUWSWXRE-UHFFFAOYSA-N 328.173 3.572 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(F)(F)[C@H](F)C(F)(F)F)O2 587383361 WKUGDJMGWMYATB-NWDGAFQWSA-N 341.251 3.837 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cnn(C)c3)c1)O2 587392958 YGSKLQJGMFSWQN-LJQANCHMSA-N 333.391 3.684 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2cccc3cccc1c23 587410318 ZZJDVNGBVWHGJM-OAQYLSRUSA-N 329.355 3.787 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1[nH]c(C)c(C(C)=O)c1C)[C@@H](C2)C3=O 587437583 HIFHIMITUUHUIN-VBKZILBWSA-N 339.391 3.506 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ncc(F)cc1F)CC2=O 587465872 HQRSMCOJLRMHSU-SFHVURJKSA-N 333.334 3.899 0 1 EHAF CCCC[C@]1(CC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 587481599 QUHYGVQEMVMLSY-LJQANCHMSA-N 334.412 3.802 0 1 EHAF CC/C=C/CCOC(=O)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587482523 PAIMKDBBQFYJOQ-YJJPMGAVSA-N 346.423 3.968 0 1 EHAF CN(C)C(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500996 AOALJRXNDMCMLD-FQEVSTJZSA-N 349.430 3.974 0 1 EHAF CCSCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615891 ZQZYHLJPIUYTBQ-GDBMZVCRSA-N 330.405 3.866 0 1 EHAF CC[C@@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587827299 KHZHJHGBXCIYFA-PSLIRLAXSA-N 344.224 3.593 0 1 EHAF COc1ccc2c(c1)nc(C(O)(c1ccccc1)c1ccccc1)n2C 1857590365 DSBMEMKTZODKMP-UHFFFAOYSA-N 344.414 3.866 0 1 EHAF N[C@@H](COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1 1857624007 UMULGPSQNQMYNC-HXUWFJFHSA-N 331.419 3.596 0 1 EHAF OC[C@]1(Cc2ccc(F)cc2)CCCN(CCc2ccccc2)C1 12725532 KLWZHGYLWYANKZ-NRFANRHFSA-N 327.443 3.685 0 3 EHAF COc1ccccc1[C@]1(C)ON(c2ccccc2C(F)(F)F)C1=O 36387700 VBZOIBNXBLCDGK-INIZCTEOSA-N 337.297 3.908 0 3 EHAF COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1cc(C)cc(C)c1C2=O 5539739 ZBQOWEKJGGQRMW-DYESRHJHSA-N 348.402 3.817 0 1 EHAF COc1ccc2c(c1OC)NC13CCC4(CCCN5CC[C@]21[C@@H]54)CC3 14857203 CUWCJMATGRBAQN-GKYDQMIMSA-N 340.467 3.548 0 1 EHAF biogenic COc1cccc([C@H]2c3c(C)n[nH]c3N=C3CC(C)(C)CC(=O)[C@@H]32)c1 18067763 YCICWUAORVRKBE-ZWKOTPCHSA-N 337.423 3.950 0 1 EHAF CCc1c(F)c(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@@H](C)CC3=O 29133851 LNKUYPYNHHUQPX-BDAKNGLRSA-N 344.338 3.642 0 1 EHAF CCOc1ccccc1-c1nc(CN(CCOC)C(C)(C)C)co1 72102367 DLGGXMGWPJXQNW-UHFFFAOYSA-N 332.444 3.987 0 1 EHAF C/N=c1\[nH]c2cnc(Nc3ccc(OC)cc3)cc2n1-c1ccccc1 82081784 KMLXSHVSXQIEIQ-UHFFFAOYSA-N 345.406 3.636 0 1 EHAF CCNC(=O)/N=c1/[nH]c2ccc(Oc3ccccc3Cl)cc2[nH]1 95601842 DHRPZHABLDFGJJ-UHFFFAOYSA-N 330.775 3.572 0 1 EHAF CC(C)OC(=O)/C=C\n1cnc(-c2cc(Cl)cc(OC(C)C)c2)n1 115889074 KCCWBQGTDHBLEJ-WAYWQWQTSA-N 349.818 3.808 0 1 EHAF CCOc1n[nH]c(-c2nc3ccc(F)c(C)c3[nH]2)c1Br 586979070 FUAFFVYOIWUGQK-UHFFFAOYSA-N 339.168 3.562 0 1 EHAF COc1cc(OC)c2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc2c1 587149425 GVESPYBKCSZOHS-VIFPVBQESA-N 334.322 3.998 0 1 EHAF O=C(CCc1nc2cc(Br)cnc2[nH]1)c1ccc(F)cc1 587164223 ZZAKGZCRDMFIRA-UHFFFAOYSA-N 348.175 3.675 0 1 EHAF CC(C)[C@H](c1nc2cnc(Cl)[nH]c-2n1)N(C)C(=O)OC(C)(C)C 587198246 VMHFRVBBLZPSDH-SNVBAGLBSA-N 339.827 3.522 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)CN1CCC(C)CC1)O2 587393435 IMTYGDNDDJKITL-SFHVURJKSA-N 330.472 3.669 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](CCCCCC(=O)OC)CC2=O 587479165 KVBKAJQCVYUUTF-ZDUSSCGKSA-N 334.412 3.802 0 1 EHAF CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccccn1 587627465 XMWFRILCGBLAFO-UHFFFAOYSA-N 342.782 3.932 0 1 EHAF O=C(O)c1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1F 587780998 OENXKYWWMPLNDF-QPJJXVBHSA-N 326.327 3.630 0 1 EHAF CCC(=O)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587811462 GIVHUWFOMQEGRM-RFAUZJTJSA-N 328.225 3.707 0 1 EHAF CC(C)CC(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812832 LBNTZZJSHXTMAS-HWPZZCPQSA-N 342.252 3.953 0 1 EHAF COc1ccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1OC 587927316 OTHXHPDHYYXMIB-UHFFFAOYSA-N 338.194 3.873 0 1 EHAF O=C(CCc1ccccc1)c1nc2c(Br)ncc(F)c2[nH]1 587953717 RDKOWLWLLSIWMI-UHFFFAOYSA-N 348.175 3.675 0 1 EHAF Cn1c(Cl)nc(Cl)c1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963105167 VDMKGZYTGDGIPN-GXFFZTMASA-N 340.229 3.976 0 1 EHAF COc1cc(O)c2c(c1)C=CCCC[C@@H](O)CCC[C@H](C)OC2=O 1857627598 JVYBAZCPWDLGCX-DZGCQCFKSA-N 334.412 3.674 0 1 EHAF O=S(=O)(c1ccc(F)cc1)c1cc(Cl)c(O)c2ncccc12 1857630603 XEECNXCYOVPHCA-UHFFFAOYSA-N 337.759 3.566 0 1 EHAF COc1cc2c(cc1O)[C@@H](c1c(Cl)cccc1Cl)CNCC2 1911577530 ITPDHEQZMNITSW-LBPRGKRZSA-N 338.234 3.985 0 1 EHAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CCC(=O)[C@]2(C)O 2356536722 QYIZGTJBQCOHKV-PUFDIQDNSA-N 334.500 3.710 0 1 EHAF O=C1c2ccccc2C(=O)N1CCCCNc1ccc(Cl)cc1 2027662 UKFNPHMBNLNIPA-UHFFFAOYSA-N 328.799 3.828 0 1 EHAF COc1cccc(NC(=O)c2cccc3c(=O)c4c([nH]c23)CCCC4)c1 8587496 QNISVRIGWKSUCX-UHFFFAOYSA-N 348.402 3.668 0 1 EHAF Cc1nn2c(C)c(C(=O)NCc3ccco3)cnc2c1-c1ccccc1 8603294 BGYOSXKXSUWFQI-UHFFFAOYSA-N 346.390 3.536 0 1 EHAF COc1ccc(-c2c(-n3ccnc3)oc3cc(OC)ccc3c2=O)cc1 14946794 DKRQMJKDYAXPTC-UHFFFAOYSA-N 348.358 3.663 0 1 EHAF Clc1ccc([C@H]([C@H]2Cc3ccccc3O2)n2cnnn2)c(Cl)c1 26175628 FSWJQLLWPOKRJJ-HZPDHXFCSA-N 347.205 3.573 0 1 EHAF CCN(CC)c1nc2ccc(Cl)cc2n2c(C(F)(F)F)nnc12 26296650 KOVYLPNSKRTTDC-UHFFFAOYSA-N 343.740 3.796 0 1 EHAF C[C@H]1CCC[C@@H](C)N1CCCCNC(=O)c1cc(Cl)ccc1O 29393659 IZJCZWQZXLMXCJ-OKILXGFUSA-N 338.879 3.819 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3cccs3)cc1)N2 36271347 OJTSMYGJKFOMBK-CBZIJGRNSA-N 327.449 3.812 0 1 EHAF CN(C)Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12 36520166 ONFSOQGBCJODIS-UHFFFAOYSA-N 327.355 3.573 0 1 EHAF CCC[C@@H]1CC(=O)C[C@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@@H]13 40843605 JMRCYEFEEQSEKU-NMSZZDKCSA-N 327.468 3.589 0 1 EHAF COc1ccc(-c2noc3cc(-c4ccccc4)n(C)c(=O)c23)cc1 45339831 LWWQDJCKHLPQAP-UHFFFAOYSA-N 332.359 3.869 0 1 EHAF CN1CCN(C2=Nc3cscc3N(C)c3ccc(Cl)cc32)CC1 49772330 QUJYXWDPCKXXPE-UHFFFAOYSA-N 346.887 3.809 0 1 EHAF NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(F)cc1 49785880 YMWVSFOVYFSNAO-OAHLLOKOSA-N 333.819 3.874 0 1 EHAF Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3F)sc2n1 70454751 CGFVUNKRJXACED-UHFFFAOYSA-N 329.400 3.564 0 1 EHAF CCCCCNc1ncnc2c1nc(CC(C)(C)C)n2CCOC 82186933 IYISKGCJVZIYCD-UHFFFAOYSA-N 333.480 3.663 0 1 EHAF Cc1ccnc(NC(=O)c2ccc(N3CCc4ccccc4C3)nc2)c1 95586264 NHTWVPAXAZNUMG-UHFFFAOYSA-N 344.418 3.600 0 1 EHAF O=[S@@](C[C@@]12N[C@H](Cc3ccccc31)c1ccccc12)c1ccccc1 100649164 HTVFYUVEJALYGO-TZBSWOFLSA-N 345.467 3.938 0 1 EHAF O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(C(F)(F)F)cn1 117725832 QWRYKKFIDVHWCA-CYBMUJFWSA-N 349.356 3.820 0 1 EHAF NC(=O)N1CCCc2cc(-c3cncc(-c4ccccc4)c3)cnc21 221441079 RFLXWNOIENAWPA-UHFFFAOYSA-N 330.391 3.642 0 1 EHAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]1C 252022872 XSTZSCYENOCESX-NONVJHHQSA-N 328.456 3.677 0 1 EHAF CC(=O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253632637 CIUZTBJZAMUYJU-IGAGALNISA-N 334.500 3.710 0 1 EHAF Cc1cccc(C[n+]2ccc(/C=C3/C(=O)Nc4ccccc43)cc2)c1 299834255 RPEWNVKHSCSGJT-UHFFFAOYSA-O 327.407 3.824 0 1 EHAF NC(CO)(CO)CCCCCCCCCCc1ccc(F)cc1 473155299 RMMXOOHWHYRBOS-UHFFFAOYSA-N 325.468 3.561 0 1 EHAF CCOc1n[nH]c(-c2nc3cccc(Cl)c3[nH]2)c1Br 586979119 HBRCSKBDQKZVSP-UHFFFAOYSA-N 341.596 3.768 0 1 EHAF COc1ccc2nc(-c3nc4cc(OC)c(OC)cc4[nH]3)sc2c1 587034466 GGMSEBDROANTMG-UHFFFAOYSA-N 341.392 3.865 0 1 EHAF Cc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2n1 587082095 KEWUBTKBNOGDJW-UHFFFAOYSA-N 339.786 3.820 0 1 EHAF COc1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cn1 587086764 DWRJMIIKEJWNGJ-UHFFFAOYSA-N 337.770 3.744 0 1 EHAF CCOc1cc(/C=C\c2nc3cc(=N)[nH]cc3[nH]2)ccc1OC(F)F 587129739 FQTVFDMPUZKHAE-XQRVVYSFSA-N 346.337 3.541 0 1 EHAF CC(C)OC(=O)C1(c2nc3cccc(Cl)c3[nH]2)CC(F)(F)C1 587130383 IUEXDAQHYYSMHQ-UHFFFAOYSA-N 328.746 3.835 0 1 EHAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(Br)nc2[nH]1 587168374 HBVZYVQVOJOILB-QMMMGPOBSA-N 336.164 4.000 0 1 EHAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(Cl)nc2[nH]1 587233082 HGTRPMKFFQAHHN-VHSXEESVSA-N 336.823 3.772 0 1 EHAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2n1 587251134 YYQJCHLQYJBTLG-UHFFFAOYSA-N 344.374 3.661 0 1 EHAF COc1cc2c3c(c1)O[C@@](c1ccccn1)(C1CCCC1)[C@@H](C2)C3=O 587436920 VHULNXAGQHUOJZ-KKSFZXQISA-N 335.403 3.923 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1c(O)cc(C)cc1O)CC2=O 587489017 MDFDSPOXDPQZTN-KRWDZBQOSA-N 328.364 3.771 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1sccc1C(=O)OC)CC2=O 587496285 VOIAORCQSOPXLF-OAHLLOKOSA-N 346.404 3.899 0 1 EHAF C[C@@]1(CC2(C(=O)O)CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587529299 NITFNFKOIPDNTF-IBGZPJMESA-N 328.408 3.934 0 1 EHAF COCC[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595552 KQLLXLQGAKYGEL-FXAWDEMLSA-N 342.391 3.785 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1Cc1cccc(Br)c1 587651486 UZCLNAKSPJUSEV-UHFFFAOYSA-N 349.615 3.861 0 1 EHAF C[C@@H]1C[C@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657290 XXFJAWSFVLGJMG-ZYHUDNBSSA-N 340.329 3.638 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cnccc32)N1 587778395 MTJMLRFTOYIOTE-QGHHPUGFSA-N 347.231 3.707 0 1 EHAF CC(=O)C(C)(C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806835 BDOLYJXSACVKQV-XXFAHNHDSA-N 342.252 3.953 0 1 EHAF Cc1scnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587856745 XQCFIIICTQPMGO-JKYUHCHBSA-N 341.249 3.977 0 1 EHAF COc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1OC 587874067 TYGNFSGAEYFXKZ-UHFFFAOYSA-N 340.310 3.501 0 1 EHAF CC(C)[C@@]1(c2cccs2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963031905 RSKUIDNWQOSBOT-ORAYPTAESA-N 326.465 3.701 0 1 EHAF Cc1ccc(-c2nnn(CCCN3CCC[C@@H]3c3ccccc3)n2)cc1 1857614917 SKYHCYCYFABYDT-HXUWFJFHSA-N 347.466 3.876 0 1 EHAF O=C(C[C@@H]1c2ccccc2-c2cncn21)NCc1cccc(Cl)c1 1857640846 VTQOWSMBFKCWBF-QGZVFWFLSA-N 337.810 3.813 0 1 EHAF Cc1ccc(-c2[nH]ncc2CNCCCOc2cccnc2)cc1C 11934897 LOSXQNVDZKOIFA-UHFFFAOYSA-N 336.439 3.647 0 3 EHAF Clc1ccc(OC2CCN(Cc3nc(CC4CC4)no3)CC2)cc1 12595781 GTRIOHNRKCEIEP-UHFFFAOYSA-N 347.846 3.719 0 3 EHAF c1ccc(-c2nc3ccccc3n3c(CN4CCCCC4)nnc23)cc1 1659128 HGOZUXATDGBIDU-UHFFFAOYSA-N 343.434 3.930 0 1 EHAF O=C1N=C(c2c[nH]c3ccc(O)cc23)C=C1c1c[nH]c2ccccc12 14681501 AEUPUFUMWGIQGG-UHFFFAOYSA-N 327.343 3.768 0 1 EHAF biogenic,in-vitro Nc1nc(-c2ccco2)c2ncn(Cc3cccc4ccccc34)c2n1 28523653 KNEBOLCFPUBPIG-UHFFFAOYSA-N 341.374 3.870 0 1 EHAF COc1cccc(-n2ccc3c(sc4nccc(OC)c43)c2=O)c1 73258924 XVDOLQADSKHXGB-UHFFFAOYSA-N 338.388 3.618 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(-c3nccs3)cc1)O2 101501368 JIQLOBNPZMPPDO-VGWMRTNUSA-N 329.421 3.634 0 1 EHAF CCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(O)c(OC)c1 103169970 DXEUVBJUXCMWMN-SFHVURJKSA-N 326.396 3.767 0 1 EHAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1C 103531679 KHSHCWFFWRMDIS-CFBLSMTOSA-N 326.400 3.868 0 1 EHAF COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(F)(F)F 116342531 NJYCBTLQFMHCJD-UHFFFAOYSA-N 342.321 3.584 0 1 EHAF CC(C)C[C@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 213625361 IZYVAELZXCDWDD-STQMWFEESA-N 336.237 3.852 0 1 EHAF O=C(Cc1cccc(Oc2ccc3nccn3n2)c1)Nc1ccccc1 299824160 GBMZRUWTUJQDPZ-UHFFFAOYSA-N 344.374 3.703 0 1 EHAF CCc1cc(O)nc(SCc2nc3ccc(SC)cc3[nH]2)n1 586966283 DNPNOEGUCCBRFO-UHFFFAOYSA-N 332.454 3.635 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3ccc(N)cc3)nc2c1 587251558 ITROOARNBLOKAV-QPJJXVBHSA-N 327.771 3.756 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4nccc-4c1Cl)[C@@H](C2)C3=O 587418542 BZACFVXBBSJEHQ-APPDUMDISA-N 340.766 3.665 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@@H](C2(C)C)[C@@]1(C)O 587491964 XUXFVBNOJQTQKE-WBQKWARHSA-N 344.451 3.866 0 1 EHAF Cc1ccccc1-c1[nH]c2c(C(=O)O)cccc2c1N1CCOCC1 587638903 JRLGCGAJYAYLBS-UHFFFAOYSA-N 336.391 3.678 0 1 EHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[C@@H](C)O 587859240 UEDWHUQIGGWXJJ-SECBINFHSA-N 343.210 3.667 0 1 EHAF COc1ccc2c(c1)[C@@](C)(Cc1ccnc(OC)c1)N(C(C)C)CC2 962090904 JKANGRMTDBBPGM-OAQYLSRUSA-N 340.467 3.823 0 1 EHAF COc1ccc(NC(C)=O)cc1[C@]1(C)NCCc2cc(C)c(F)cc21 962145874 NBLJAQKQOFNCFK-HXUWFJFHSA-N 342.414 3.510 0 1 EHAF O=C(Nc1ccc2nc(Cc3ccccc3)nn2c1)NC1CCCCC1 1857612223 ZNVCYFMNKHOWSZ-UHFFFAOYSA-N 349.438 3.774 0 1 EHAF CCC[C@@H](O)CCCCC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1C 1857755444 QITOQUWXCAMNFM-CGXNFDGLSA-N 333.516 3.774 0 1 EHAF COc1cc(O)cc2c1C(=O)O[C@H](C)CCCCCCCC(=O)C2 2356721807 OWHJIFBGXNKCCV-CYBMUJFWSA-N 334.412 3.802 0 1 EHAF O=C1C[C@@H](C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccccc2)O1 313155 TTWZTCDMSWDUJX-MLGOLLRUSA-N 338.388 3.539 0 1 EHAF O=C(c1ccncc1)N1CCC2(CCCN(c3ccccc3)C2)CC1 3955837 RVBRQEAEFLWTFN-UHFFFAOYSA-N 335.451 3.604 0 1 EHAF CC[C@H](C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1 13725174 LGKGBFUZONVBIA-KRWDZBQOSA-N 347.503 3.539 0 1 EHAF COc1ccc([C@H]2CC[C@H](OCCCc3ccccn3)O2)cc1OC 29308591 XRIFQYHIEUXPPC-YLJYHZDGSA-N 343.423 3.926 0 1 EHAF COc1ccc([C@H]2CC[C@H](OCCc3cccnc3)O2)cc1OC 29318222 MOXOXGNMYAFZBJ-VQIMIIECSA-N 329.396 3.536 0 1 EHAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3n[nH]cc3c2)n1 34054259 IUWCYHHHQACRIT-UHFFFAOYSA-N 346.398 3.749 0 1 EHAF in-vitro Nc1ccccc1NC(=O)/C=C/c1ccc(NCc2ccccc2)nc1 36338682 OAAMYQXWVBCJOH-ACCUITESSA-N 344.418 3.928 0 1 EHAF O=C(Nc1ncco1)C1c2cc(F)ccc2Oc2ccc(F)cc21 40424622 BUUDEVOKMZHHDN-UHFFFAOYSA-N 328.274 3.829 0 1 EHAF Fc1ccc(CN2CCc3nc(N4CCCCC4)sc3C2)cc1F 45355069 ZKSSWDLYJUQHPG-UHFFFAOYSA-N 349.450 3.970 0 1 EHAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3cccn3C)cc1)O2 84603326 YOFKXSATJFBEHG-DKKFBQAASA-N 325.408 3.516 0 1 EHAF CC(C)(C(=O)N1CC[C@H](c2c[nH]c3ncccc23)C1)c1ccccc1 84713985 ZVSNGHFRQGQGSN-HNNXBMFYSA-N 333.435 3.857 0 1 EHAF c1ccc(CCC2(Cn3cnc(-c4ccccc4)c3)OCCO2)cc1 87722466 YUOOPZNFDAIWJN-UHFFFAOYSA-N 334.419 3.926 0 1 EHAF CN(C)CCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1 96926869 QTGJSUSNSIJBAT-UHFFFAOYSA-N 325.437 3.854 0 1 EHAF C[C@@H]1CN(c2ccccn2)CCN1C(=O)[C@H]1CC[C@H](C(C)(C)C)CC1 101685352 MJQFAEORXWJPGL-KURKYZTESA-N 343.515 3.971 0 1 EHAF CC(C)(C)c1ccc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc2c1 586950455 HMEABIUZRBBJAC-UHFFFAOYSA-N 343.452 3.899 0 1 EHAF Fc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1F 587040163 GFBKAYVHTYJORC-UONOGXRCSA-N 331.391 3.787 0 1 EHAF O=C1c2ccccc2-c2cc(/C=C/N3CCOCC3)nc3cccc1c23 587107371 RFNDLFFQVJMGST-CMDGGOBGSA-N 342.398 3.749 0 1 EHAF CCOC(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 587138777 PJMMOEWNQGLVIG-UHFFFAOYSA-N 348.324 3.942 0 1 EHAF COc1cccc(-c2cc(F)cc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)c1 587160157 JMLYTAPXLRWVFJ-UHFFFAOYSA-N 334.354 3.852 0 1 EHAF Cc1ccnc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc12 587206860 YFKGZCMPJBECOV-GFCCVEGCSA-N 332.448 3.748 0 1 EHAF COc1ccc2c(c1)[C@@H](CC(=O)O)c1c-2nc2cccc3c2c1CC3 587212818 CTUGPEXVIUHCSU-MRXNPFEDSA-N 331.371 3.929 0 1 EHAF NC(=O)Nc1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 587243461 LYCORWIVTZGDQP-UHFFFAOYSA-N 349.163 3.622 0 1 EHAF O=C(/C=C/c1nc2cc(Cl)nc(Cl)c2[nH]1)Nc1ccccc1 587244533 ORQCLXOLPFCYIE-VOTSOKGWSA-N 333.178 3.917 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)c3ncccc13)CC2=O 587475295 LPTPZMJCGGWCFW-SFHVURJKSA-N 336.391 3.938 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(C(C)(C)C(=O)OCC)CC2=O 587480464 KBBALRJCGMJCLA-IBGZPJMESA-N 334.412 3.658 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1nnc(Cl)c2ccccc12 587651177 FAJRQIQTEZPVPB-UHFFFAOYSA-N 343.173 3.636 0 1 EHAF CC(C)OC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587791211 JFUSFSDHHOCHKT-BMIGLBTASA-N 330.241 3.763 0 1 EHAF COc1c(C(=O)N[C@H](C)c2ccccc2)c(C)nn1-c1ccccc1 653702411 IAURSLLSAJJNOK-CQSZACIVSA-N 335.407 3.680 0 1 EHAF Cc1sc2c(c1C)CCN[C@]2(c1cccs1)c1nccn1C 963016674 BWRURGSIMAAOLZ-KRWDZBQOSA-N 329.494 3.598 0 1 EHAF O=C(O)c1cccc(Cc2c(C3CC3)nn3cc(Cl)ccc23)n1 1772579427 SOODQZWZJKCSFM-UHFFFAOYSA-N 327.771 3.549 0 1 EHAF O=c1oc2ccc(C(F)(F)F)cc2n1Cc1ccc(F)c(O)c1 1772638419 SGBMNPWLFPOJOH-UHFFFAOYSA-N 327.233 3.506 0 1 EHAF Cc1nc(-c2ccc(O)cc2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1 1857553442 YSMQFVNBZLGSPP-UHFFFAOYSA-N 334.379 3.501 0 1 EHAF CC=CC[C@H](C)[C@H](OC)[C@H](C)[C@H](O)C[C@@H]1OC(=O)CC[C@@H]1CC 2356740597 UKUHYDSKNMYCAN-FWCYYJLNSA-N 326.477 3.723 0 1 EHAF COc1ccc(S(=O)(=O)Nc2cc(Cl)cc3cc[nH]c23)cc1 28235582 RSQUZDCANJWUGQ-UHFFFAOYSA-N 336.800 3.631 0 1 EHAF NCCCCNCCCCNCc1ccc(-c2ccccc2)cc1 28823675 FKTMSLPVRJUXQJ-UHFFFAOYSA-N 325.500 3.552 0 1 EHAF CC(C)=CCc1cc2c(cc1O)OC(=O)[C@H]1c3ccc(O)cc3O[C@H]21 34646698 ONTGHSPILBIJMK-RBUKOAKNSA-N 338.359 3.743 0 1 EHAF biogenic Cc1cccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)c1 34804044 ZRNUCMGCOSFBLJ-UHFFFAOYSA-N 342.354 3.886 0 1 EHAF COc1ccccc1-c1cc(-c2ccccc2OC)nc(NC(C)=O)n1 66112704 VPISIDLEZRYFHC-UHFFFAOYSA-N 349.390 3.786 0 1 EHAF CC(C)SC1=NS(=O)(=O)c2cc(Cl)c(Cl)cc2N1 71329334 IUFCNHAOXMLYII-UHFFFAOYSA-N 325.242 3.605 0 1 EHAF CCCn1c(-c2ccc(C)s2)nc2ccc(N3CCOCC3)nc21 95583362 KZBFGIUUAFUZEO-UHFFFAOYSA-N 342.468 3.715 0 1 EHAF Nc1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3N)cc1OC2 103273327 OGOPCLNMLSKHAI-UHFFFAOYSA-N 331.375 3.718 0 1 EHAF C[C@]1(O)OC[C@]23CC[C@@H]4[C@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@H]2CC[C@@H]13 253706489 RVRUDXHMJRUDLB-OTKHHKLUSA-N 332.484 3.645 0 1 EHAF COc1cc(OC)c2nc(-c3oc4c(c3C)[C@@H](O)CCC4)[nH]c2c1 586905408 NVJBUKIVZXOOAQ-LBPRGKRZSA-N 328.368 3.518 0 1 EHAF CC1(C)OC(=O)C[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 586906362 LRUMMXGQOVCZGO-ZETCQYMHSA-N 343.608 3.788 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(OC)c2[nH]1 586916075 JOUZKVOBBYHGPS-VLIAUNLRSA-N 336.391 3.788 0 1 EHAF O=C1c2ccccc2-c2cc(-c3ccnc(O)c3)nc3ccc(O)c1c23 586987477 BNGQAFXIJNMOCS-UHFFFAOYSA-N 340.338 3.919 0 1 EHAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCCO4)s1 587015128 XVPUXNVHCWPWMN-JTQLQIEISA-N 345.424 3.864 0 1 EHAF CC1(C)OC=C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587359487 YSCPNGPXBNYHRC-FXAWDEMLSA-N 340.350 3.952 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C(=O)OCC)C(C)C)CC2=O 587476907 BMDZDMGYHBZSDQ-YLJYHZDGSA-N 348.439 3.904 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3cnn(C)c13)CC2=O 587478187 RTSSXVDWCCCYOI-GOSISDBHSA-N 336.391 3.938 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N)N1 587749391 PCTNHRQEVANPIM-JDNHERCYSA-N 335.220 3.794 0 1 EHAF Brc1cnc2[nH]c(COC/C=C/c3ccccc3)nc2c1 587781296 SOWNGPMMWYAZEI-QPJJXVBHSA-N 344.212 3.950 0 1 EHAF C[C@H](CN1CCCCC1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876273 QDUCBSGBICLIHH-GFCCVEGCSA-N 329.375 3.557 0 1 EHAF Fc1cc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)ccn1 962691662 AOSSEMMSSGMGRS-SCLBCKFNSA-N 332.419 3.813 0 1 EHAF CCn1cnc2c(-c3ccc(F)c(OCc4ccccn4)c3)cnnc21 1857557302 PDMAHQABXQRDBM-UHFFFAOYSA-N 349.369 3.626 0 1 EHAF CCOP(=O)(OCC)[C@H](Nc1ncccn1)c1ccc(F)cc1 1857764046 KDSUMUIGPOBVAS-AWEZNQCLSA-N 339.307 3.993 0 1 EHAF CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C 1911571087 LLEBMWLDBMFHNV-UHFFFAOYSA-N 341.440 3.615 0 1 EHAF CC1(C)[C@H]2CC[C@]3(C)C[C@H]([C@@](C)(O)CO)CC[C@H]3[C@]2(C)CC[C@H]1O 2356330254 QDHSQPWXQCVCIZ-TZOOJHKXSA-N 338.532 3.750 0 1 EHAF CC[C@H](O)[C@H](O)C=CC=CC=CCC=CCC=CCCCC(=O)O 2356868089 WYCMUVNNXSREQB-RBUKOAKNSA-N 334.456 3.934 0 1 EHAF COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccccc2Cl)cc1 58046271 CNLXQDJTVQYTPX-QZTJIDSGSA-N 342.826 3.858 0 3 EHAF Oc1ccc(C[C@H]2CNCCN2CCc2cccc3ccccc23)cc1 61711183 WJJYRAQTLJJCNF-NRFANRHFSA-N 346.474 3.604 0 3 EHAF C[C@](O)(c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 61898282 MJAXRZFNAIHLAB-SFHVURJKSA-N 325.389 3.795 0 3 EHAF CCN(CC)CCCCNc1ncc(C)c2c1c1cnccc1n2C 5139268 XAFHQAWYXDRDSJ-UHFFFAOYSA-N 339.487 3.964 0 1 EHAF O=C(O)C1=C(C(=O)Nc2ccc(-c3cccc(O)c3)cc2F)CCC1 13588278 WGGWTOADABYFOK-UHFFFAOYSA-N 341.338 3.702 0 1 EHAF CC(C)CC(=O)NCC1CCC([C@@H](c2ccccn2)N(C)C)CC1 19446722 XXXXXRSURBEUEF-UHYCVJNDSA-N 331.504 3.653 0 1 EHAF Cc1ccccc1C1=[N+]([O-])c2cc(-c3cnc(N)nc3)ccc2[C@@H]1C 28383856 FXWWLQJKBXFHQY-ZDUSSCGKSA-N 330.391 3.782 0 1 EHAF Cc1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 29126582 DCODHURRXZDVAZ-UHFFFAOYSA-N 329.447 3.731 0 1 EHAF O=C1CC[C@@H]2CN(CCc3ccccc3)CC[C@H]2N1c1ccccc1 40640127 BBZVFMINWXZIBV-TZIWHRDSSA-N 334.463 3.747 0 1 EHAF O[C@@]1(c2ccc(-c3ccccc3F)cc2)CN2CCCC[C@@H]2CO1 40835731 DBVDXUCLXQNGAT-XLIONFOSSA-N 327.399 3.523 0 1 EHAF Clc1ccc2ccn(CCN3CCCN4CCCC[C@H]4C3)c2c1 58668485 VUPZTBCFGWVULV-SFHVURJKSA-N 331.891 3.855 0 1 EHAF Nc1cc(-c2ccccc2)n(Cc2coc(-c3ccc(F)cc3)n2)n1 72185370 VQYPMNWILIZQPU-UHFFFAOYSA-N 334.354 3.975 0 1 EHAF O=C1O[C@]2(Oc3ccc(-c4ccccc4)cc3C2=O)c2ccccc21 95588591 TWVWSVUPMQKTHN-OAQYLSRUSA-N 328.323 3.952 0 1 EHAF COc1ccc(-c2nc3cc(-c4cc(C(=O)O)co4)cnc3[nH]2)cc1 103248099 JDJAIINKPORJAW-UHFFFAOYSA-N 335.319 3.592 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cncc(Cl)c2[nH]1 586918327 WPBYPCIDTIBIKS-XIKOKIGWSA-N 341.798 3.828 0 1 EHAF OCc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029999 XTWQMQWRAXBGEZ-UHFFFAOYSA-N 337.404 3.758 0 1 EHAF COc1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2n1 587068248 NJZJHNRKYVYCLJ-UHFFFAOYSA-N 325.759 3.677 0 1 EHAF O=C(/C=C/c1nc2c(F)cnc(Cl)c2[nH]1)Nc1ccc(F)cc1 587166785 IYWCMMFPMRINTG-AATRIKPKSA-N 334.713 3.541 0 1 EHAF CC(C)(C)OC(=O)N1CC[C@@H]2c3c(nc4cccc5c4c3CC5)C[C@@H]21 587211189 AUSLLAPDQJEVJN-GUYCJALGSA-N 336.435 3.983 0 1 EHAF CCOC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352363 XBLUTOSDENUUMX-MJGOQNOKSA-N 330.355 3.685 0 1 EHAF COc1cc2c3c(c1)O[C@H](C(=O)c1ccc4ccccc4c1)[C@@H](C2)C3=O 587445430 JVVVOQNGELLBLZ-JTSKRJEESA-N 344.366 3.847 0 1 EHAF Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587613155 NZRQCPPDHBEZFX-YJBOKZPZSA-N 339.372 3.860 0 1 EHAF Cn1ccc(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)n1 587629398 NZHPYHYLYSIMRW-UHFFFAOYSA-N 327.693 3.863 0 1 EHAF CC(=O)[C@@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811481 GLQSIKGOMRPFGP-MGPLVRAMSA-N 342.252 3.953 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C2CC2)N1 587813150 BJGKGXQBSJQRJB-ABKXIKBNSA-N 340.236 3.707 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCO[C@@H](C)C2)N1 587841284 MLWKMTMYOUTEQR-YHAQOWFVSA-N 328.225 3.517 0 1 EHAF Cc1nscc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587858781 UFOFHXTYLJPFIU-WJWGPLDTSA-N 341.249 3.977 0 1 EHAF O=C(O)CCCCONC1=C[C@@H](c2cccc(Br)c2)C1 957574187 RMKVXCLWNOUGSJ-GFCCVEGCSA-N 340.217 3.596 0 1 EHAF Cc1nccnc1[C@]1(C)c2ccsc2CCN1Cc1cccnc1 963019719 YQBLBKYYZBJDDZ-IBGZPJMESA-N 336.464 3.563 0 1 EHAF N[C@@H]1CO[C@@H](CCCCCCCCCOCC2CCCCC2)[C@H]1O 1772625102 ULYXSNVEHKBRQG-AABGKKOBSA-N 341.536 3.791 0 1 EHAF CC(=O)Nc1cc(-c2ccccc2C(F)(F)F)cn2c(C)nnc12 1857590181 DLHIYFFZYPXOND-UHFFFAOYSA-N 334.301 3.682 0 1 EHAF Cc1occc1C(=O)N=c1[nH]n(Cc2ccc(F)cc2)c2ccccc12 1857598670 YMSDPOKBZKQZPX-UHFFFAOYSA-N 349.365 3.799 0 1 EHAF COc1cccc(-c2[nH]c(=N)sc2-c2ccc3ncccc3n2)c1 1857639037 GGMBTZXCGDMNPM-UHFFFAOYSA-N 334.404 3.841 0 1 EHAF O=C(Nc1ccc(F)cc1-c1ccccc1)N[C@H]1CN2CCC1CC2 1911570670 RRQOIEPFLLEXMG-IBGZPJMESA-N 339.414 3.708 0 1 EHAF CCN(C(=O)c1c(-c2cccnc2)noc1[C@@H](C)O)C1CCCCC1 2356295677 WYCGVOCHXVCDIR-CYBMUJFWSA-N 343.427 3.585 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(O)Cc3occ(C)c3C[C@@]2(C)[C@H]1C 2356647280 GXUMIIXHSIMDQI-ZXUOCUECSA-N 332.440 3.732 0 1 EHAF CCCOc1ccc(F)cc1-c1cc(C(=O)NCc2ccco2)[nH]n1 61926827 REDNJBGITORIGH-UHFFFAOYSA-N 343.358 3.528 0 3 EHAF C[C@@H]1O[C@H](CCc2cccc(Cl)c2)Cc2[nH]c(=S)[nH]c(=O)c21 95602315 QJGGWLCEZDOFTP-JOYOIKCWSA-N 336.844 3.721 0 3 EHAF C[C@H](Oc1ccc(Oc2cnc3c(Cl)cccc3n2)cc1)C(=O)O 29471385 HRYZPOKQOWSJHI-JTQLQIEISA-N 344.754 3.927 0 1 EHAF Cc1cc(Cl)cc2c([C@@H](O)c3ccncc3)c3c(C)n[nH]c3nc12 82152171 CPFAZCJKWPHSEL-KRWDZBQOSA-N 338.798 3.858 0 1 EHAF COC(OC)[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccc1 95556543 LPWGGLFKGASBIV-FQEVSTJZSA-N 336.435 3.886 0 1 EHAF CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccc(C)cc2)cc1 100108136 FXEYAHJMEHBCBW-WKCHPHFGSA-N 349.478 3.521 0 1 EHAF O=C(Nc1cc(-c2cccc(O)c2)cc2[nH]ncc12)c1ccccn1 113874564 IFHBPTUQPBCQRT-UHFFFAOYSA-N 330.347 3.583 0 1 EHAF CCc1oc2ccccc2c1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586902364 AJINKFGLKVWWPU-UHFFFAOYSA-N 333.347 3.869 0 1 EHAF COC(=O)c1cccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c12 587028765 VTNOMZCNNVAUKL-UHFFFAOYSA-N 338.392 3.777 0 1 EHAF Fc1cc2[nH]c([C@](F)(Cl)C(F)(F)F)nc2cc1-n1cccn1 587090607 SRDMRHCRQOWPHJ-LLVKDONJSA-N 336.651 3.811 0 1 EHAF COc1cc(-c2nc3cccc4c3c(c2C)CC4)ccc1OCC(=O)O 587212587 TWTKWNZEWRSUPQ-UHFFFAOYSA-N 349.386 3.781 0 1 EHAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)cc(C)c2[nH]1 587232596 ZZCUWIXRNCJIQY-ZIAGYGMSSA-N 349.862 3.561 0 1 EHAF C=CC(=O)Nc1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 587245192 ZRXQMXUYEQUPKR-UHFFFAOYSA-N 343.184 3.512 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc3scc(C)n13)O2 587415979 ZPXHSKSBNAEHQU-GFCCVEGCSA-N 347.827 3.955 0 1 EHAF COc1cc2c3c(c1)O[C@H]([C@H](C)COCc1ccccc1)[C@@H](C2)C3=O 587439897 DUCNHVFCLOOJEA-GQNMWPQZSA-N 338.403 3.664 0 1 EHAF C[C@@H]1[C@@H](CC(=O)O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587528520 AVNKKWWUIZUCTQ-ZGLRSVDFSA-N 328.408 3.790 0 1 EHAF Cc1cccnc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660494 FUUIHXPLXVKELG-UHFFFAOYSA-N 331.350 3.895 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CCSC2)N1 587857767 MZODEOBTJQXTQT-RTHLEPHNSA-N 328.250 3.837 0 1 EHAF CCOC(=O)c1ccc(Nc2cc(C)nc(-c3ccncc3)n2)cc1 653871708 RNISDQFCCHVMDJ-UHFFFAOYSA-N 334.379 3.767 0 1 EHAF Cc1ccc2nc(CO[C@@H]3CN(C4CCCCC4)C[C@H]3F)[nH]c2c1 2356299826 OUGXUNDKYIDABE-CRAIPNDOSA-N 331.435 3.743 0 1 EHAF C[C@@H]1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@]1(O)CCC1=COC(=O)C1 2356414706 OKDWSVYZQIQRLH-HJWRDXIDSA-N 336.472 3.562 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(CO)[C@H]1C 2356679479 WQFXWUMJCAMKEK-VZHLBOQGSA-N 332.440 3.589 0 1 EHAF COc1ccc(/C=C/c2ccc3ccc(C(=O)O)c(O)c3n2)cc1O 5854273 FSLDLBJGAMZARH-QHHAFSJGSA-N 337.331 3.523 0 1 EHAF Cn1ncc2c(NCc3ccccc3)nc(Nc3ccc(F)cc3)nc21 7449209 ARGWYQDWXHGSID-UHFFFAOYSA-N 348.385 3.858 0 1 EHAF CCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F 28642863 QSXYUGISZGDONG-UHFFFAOYSA-N 348.385 3.508 0 1 EHAF C[C@H](CO)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](N)C[C@@H]1C[C@H]3N 29048833 QOHBXNYJBSDCJL-DURKAETDSA-N 348.575 3.538 0 1 EHAF COC(=O)c1cccc([C@H]2[C@@H](C)N=CN2Nc2cccc(Cl)c2)c1 29327286 OHGGTSHOCBRKHO-SJKOYZFVSA-N 343.814 3.927 0 1 EHAF CC(C)=CCc1cc2c(cc1O)OC(=O)[C@@H]1c3ccc(O)cc3O[C@@H]21 34646701 ONTGHSPILBIJMK-MOPGFXCFSA-N 338.359 3.743 0 1 EHAF biogenic OCCNc1ccc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n2c1 43120051 YUOBAYTXESDEDM-UHFFFAOYSA-N 348.381 3.607 0 1 EHAF CN(C)Cc1nc(O)c2sc3ccc(C(F)(F)F)cc3c2n1 45317076 MBFRJIPAANIXOT-UHFFFAOYSA-N 327.331 3.631 0 1 EHAF NCCc1cn(Cc2coc(-c3cccc(F)c3)n2)c2ccccc12 72102038 KYXGYPNWPCJPEF-UHFFFAOYSA-N 335.382 3.985 0 1 EHAF CN1CCC(Oc2ccc3cc(-c4ccccc4)c(=O)oc3c2)CC1 84653118 OQDALQLOONPVFW-UHFFFAOYSA-N 335.403 3.933 0 1 EHAF Cn1c(SCCn2ccnc2)nc2cc(Cl)c(Cl)cc21 96924263 WAQBPDFBWBQSIT-UHFFFAOYSA-N 327.240 3.869 0 1 EHAF CCC[C@H]1S/C(=C/c2nc3ccc(C(F)(F)F)cc3[nH]2)NC1=O 103234186 ZMKGMJBKIANZPJ-ZTFCMROMSA-N 341.358 3.912 0 1 EHAF CCCc1cc(Oc2c(C)cc(C[C@@H](N)C(=O)O)cc2C)ccc1O 169342197 UCVZSPIWLGKXNS-QGZVFWFLSA-N 343.423 3.708 0 1 EHAF CC(C)=CCc1c(O)ccc2c1O[C@@H]1c3cc(O)ccc3O[C@H]2[C@H]1O 205499905 AGFXMAHABUUTRN-MISYRCLQSA-N 340.375 3.535 0 1 EHAF COC(=O)[C@]12CCC[C@@]3(C=NC1)[C@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@@H]23 210696602 PEBWOTHMOKLLMG-RWSULFPFSA-N 341.451 3.996 0 1 EHAF COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@@H](C)[C@H]2C)OCO4)ccc1O 238741309 PKDKRIQIMYSIFF-RMDKCXRXSA-N 340.375 3.730 0 1 EHAF CC(=O)[C@@H]1C[C@@H](O)[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 255222963 KNGHISXLFKDPCP-XLLWQBDJSA-N 332.484 3.774 0 1 EHAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3ccccc3cc2[nH]1 586961018 DZFDSVZMEKRFCV-VIFPVBQESA-N 337.408 3.647 0 1 EHAF Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 586997678 QIGLTLOLEGPSDW-CYBMUJFWSA-N 330.229 3.876 0 1 EHAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ncccc3Cl)nc1-2 587064799 HDFLYAQDICKNDW-UHFFFAOYSA-N 334.088 3.692 0 1 EHAF COC(=O)Cc1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587097868 OPLJURJIGKQPMF-UHFFFAOYSA-N 331.371 3.779 0 1 EHAF Cc1cc(Br)c(-c2nc3cc(N)c(N)cc3[nH]2)cc1F 587137718 HXPJAZVZFDFDBG-UHFFFAOYSA-N 335.180 3.604 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncccc1Br)O2 587378566 VRRVEYPTMDVXSO-MRXNPFEDSA-N 347.212 3.615 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc(O)c(Cl)cc31)O2 587379877 LSUHKOHYMRVNHM-GOSISDBHSA-N 345.782 3.579 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](COc1cccc(F)c1)CC2=O 587466727 MLALUBZBBKJWMD-CQSZACIVSA-N 330.355 3.897 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CO)c1)CC2=O 587477828 JNBKFVJSGAGDGB-LJQANCHMSA-N 342.391 3.552 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nsc1N)CC2=O 587494850 MCXLPXZNOVILOK-QGZVFWFLSA-N 332.425 3.572 0 1 EHAF C[C@@]1(c2cccnc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587519012 SXCVAVOWAMROKS-FQEVSTJZSA-N 337.375 3.539 0 1 EHAF O=C1C[C@@H](c2cccc(OCCO)c2)Oc2c1ccc1c2CCCC1 587522089 KBFLNHPBPRUPFC-FQEVSTJZSA-N 338.403 3.643 0 1 EHAF Cc1ccc([C@@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587529094 ITZQXFLUJAILFH-OAQYLSRUSA-N 336.387 3.819 0 1 EHAF Oc1nc(O)c2ccc(-c3ccc4c(c3)Cc3ccccc3-4)nc2n1 587560921 BUNPOKRKYUQDIZ-UHFFFAOYSA-N 327.343 3.674 0 1 EHAF CC[C@@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587617709 QPKNTNRCPGCTGM-VOWSPCBNSA-N 340.375 3.682 0 1 EHAF O=C(Cc1ccc2c(c1)OCO2)n1nc2cc1Oc1ccc(F)cc1-2 587873761 LTBGCWKMKBJKQE-UHFFFAOYSA-N 338.294 3.407 0 1 EHAF CC1=C(c2ccc3nc(Cc4cc(C)ccc4C)[nH]c3c2)NNC(=O)C1 587959277 PYNIMNMJWLZFEM-UHFFFAOYSA-N 346.434 3.526 0 1 EHAF CCCCNC(=O)C[C@H](Sc1ccc2ccccc2c1)C(=O)O 1772606571 QFGJMGYVXIDABQ-INIZCTEOSA-N 331.437 3.692 0 1 EHAF CCCCCC=CC[C@H]1[C@H](C=C[C@H]2CCCC(=O)O2)[C@@H](O)C[C@H]1O 2356709381 AWRLHDHWBSHXSP-SPOLIRPYSA-N 336.472 3.523 0 1 EHAF COc1cc2c(cc1OC)[C@H]1Cc3ccc(O)c(OC)c3C[C@@H]1CC2 2356774145 RGWVMBFXIVOTSJ-WFASDCNBSA-N 340.419 3.863 0 1 EHAF COc1ccccc1C1=Nn2c(nnc2C2CCCCC2)SC1 4144068 KTEVGGUWUTZRTC-UHFFFAOYSA-N 328.441 3.693 0 3 EHAF aggregator Cc1ncc(CO)c(CNc2ccc(Oc3ccccc3)cc2)c1O 6900478 VTVHXELGOUYDFF-UHFFFAOYSA-N 336.391 3.992 0 3 EHAF O=CN1CCc2c([nH]c3ccccc23)[C@H]1c1cccc2cccnc12 526624 GFGHEWIJVIJRTN-OAQYLSRUSA-N 327.387 3.820 0 1 EHAF biogenic CCOc1ccc2c(c1)-c1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 5086708 XVRUBQATFSXBHX-MRXNPFEDSA-N 325.408 3.552 0 1 EHAF biogenic CCOCCN(C)c1c(Cc2cccc(C)c2)c(CC)c(C)[nH]c1=O 5886436 WYAVQIMQXVYOJD-UHFFFAOYSA-N 342.483 3.618 0 1 EHAF Cc1ccc2c(c1)-c1onc(C(=O)N(C)c3ccc(F)cc3)c1CO2 6893185 HKYBQAYURUTTHQ-UHFFFAOYSA-N 338.338 3.958 0 1 EHAF COc1cc2c(cc1OC)C[C@H](NC[C@@H](OC)c1ccccc1)CC2 14953636 QWXYKBOVJZROBE-WIYYLYMNSA-N 341.451 3.538 0 1 EHAF in-vitro C/C(=C\COc1cc2oc(=O)ccc2cc1O)C/C=C/C(C)(C)O 15253813 HNVAOURGRAGCKB-DZKPWUJRSA-N 330.380 3.541 0 1 EHAF CSc1cc2n(c1C(=O)c1ccc(Cl)cc1)CC[C@@H]2C(=O)O 28226187 HRIBDQKUYSEXLJ-NSHDSACASA-N 335.812 3.666 0 1 EHAF O=C(CC1CCN(C(=O)C2CCCCC2)CC1)N1CCCCCC1 32974338 PLFANLLCDLDZRF-UHFFFAOYSA-N 334.504 3.598 0 1 EHAF CCOC(=O)NCCC[C@H](C)Nc1cc(OC)cc2cccnc12 43076950 ZJVMXQCVHDVEQV-ZDUSSCGKSA-N 331.416 3.570 0 1 EHAF NC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccc(Br)cc1 43174117 GSCKZFSBVHCSKZ-UHFFFAOYSA-N 342.196 3.605 0 1 EHAF CC[C@](C)(N)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C 72112162 CWFCNWIAOJWEMI-URMOITLNSA-N 347.455 3.939 0 1 EHAF O=C1Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)cc2N1 96169282 GMYBSJVXEHYEHS-QUCCMNQESA-N 346.430 3.516 0 1 EHAF NC1CCC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 149686714 HPMSXSJJPUNVQO-FGGKUVOCSA-N 336.479 3.981 0 1 EHAF Nc1ccc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)nn1 224553562 QCAMAVPFCHPFAQ-UHFFFAOYSA-N 337.358 3.715 0 1 EHAF COC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253699426 IVJOAORQVUYFDW-YPJYRYKBSA-N 347.499 3.639 0 1 EHAF CCc1cc(O)nc(SCc2nc3cc(Cl)cc(C)c3[nH]2)n1 586967281 WIEDSKSMSMGDKF-UHFFFAOYSA-N 334.832 3.875 0 1 EHAF Cc1ncc(-c2nc3cccc(C(=O)O)c3[nH]2)c(C)c1Br 586979553 PGYHOUPSYRHWEK-UHFFFAOYSA-N 346.184 3.702 0 1 EHAF Cc1nc(C)c(Cc2nc3c(F)cnc(Br)c3[nH]2)s1 587012712 SGLANIUCKMBUEY-UHFFFAOYSA-N 341.209 3.524 0 1 EHAF Clc1cnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587041668 ORCCMNZPNATOKH-KBPBESRZSA-N 330.844 3.558 0 1 EHAF Cc1ccnc2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 587078930 DHSACTBTGFYSPH-CYBMUJFWSA-N 325.803 3.644 0 1 EHAF 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2356341212 IWFDIRAQIJKUJO-IYBDPMFKSA-N 344.407 3.619 0 1 EHAF CCCNC(=O)[C@@]1(C)CCN(Cc2ccc(-c3ccccc3)o2)C1 61907461 QRNXBKXNAGXCHH-FQEVSTJZSA-N 326.440 3.685 0 3 EHAF COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1cc(C)c(C)cc1C2=O 5539823 KFYPYRIWJJGRNM-WIYYLYMNSA-N 348.402 3.817 0 1 EHAF C[C@@H](NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1)c1ccccc1 13833824 KAUGFFXPEOJZEZ-CXAGYDPISA-N 336.460 3.793 0 1 EHAF Cc1cc(Cl)ccc1OCc1nnc2n1CCN2c1ccccc1 40392842 ZOGQEXBUBDFQTM-UHFFFAOYSA-N 340.814 3.971 0 1 EHAF O=C1CSC(Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)=N1 45386183 ZKIDJLUQSHGJIX-UHFFFAOYSA-N 333.482 3.652 0 1 EHAF Clc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1 72108460 SFMWCQXIDYVTJY-UHFFFAOYSA-N 325.803 3.749 0 1 EHAF CC[C@H](C)Nc1ncc(C(=O)N[C@H](C)CC)c(-c2ccccc2)n1 82133577 LTJXSIZVVQNKJC-KGLIPLIRSA-N 326.444 3.882 0 1 EHAF COc1ccc(/C=C/c2c(CCN(C)C)ccc(OC)c2O)cc1 85996316 GVZVHYFESLXAML-YRNVUSSQSA-N 327.424 3.684 0 1 EHAF C[C@H](CCc1ccc(S(=O)(=O)c2ccccc2)cc1)CC(=O)O 169321021 CEMQIVCALCGZGZ-CQSZACIVSA-N 332.421 3.563 0 1 EHAF C/C=C(/C)C(=O)O[C@@]1(C)C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)C=CC=C(C)[C@H]21 238785010 VIAZXGSKYDTXOR-WZNCGVQFSA-N 330.424 3.729 0 1 EHAF O[C@@H]1C[C@@H](c2nc3ccc(Br)cc3[nH]2)c2ccccc21 586904996 XCTNMAZDBUOKJR-IUODEOHRSA-N 329.197 3.894 0 1 EHAF FC(F)(F)c1cc2nc([C@H]3CCOC3)[nH]c2cc1Br 586912868 XBQMPXMDJWSWAG-LURJTMIESA-N 335.123 3.848 0 1 EHAF Cc1ccc(C)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 586967279 SWEJYCDFFSEJKR-UHFFFAOYSA-N 337.408 3.917 0 1 EHAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cncnc4[nH]3)c2)cc1 587067505 DKOJNWPOMMGIJZ-UHFFFAOYSA-N 336.782 3.833 0 1 EHAF CCOC(=O)[C@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587105823 FLWDTFDNPLQMDV-AWEZNQCLSA-N 329.355 3.649 0 1 EHAF CC(=O)c1ccc(-c2cc(-c3nc4ncc[nH]c-4n3)ccc2F)cc1 587139363 HNZYBRRDKSLDKG-UHFFFAOYSA-N 332.338 3.980 0 1 EHAF COC(=O)c1ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 587149922 ISUOTOJVQMIXLE-VIFPVBQESA-N 332.306 3.768 0 1 EHAF CSc1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 587171297 LJGLOKHCWVUZAL-UHFFFAOYSA-N 330.384 3.881 0 1 EHAF O=C(/C=C/c1nc2ccc(Br)cc2[nH]1)Nc1ccccc1 587244618 QFXJOKCUTRWQPF-CMDGGOBGSA-N 342.196 3.977 0 1 EHAF C[C@@H]1COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355250 CUVVSZMKGRMIHD-CCMJGWDWSA-N 342.366 3.685 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCOc4c(Cl)cccc41)[C@@H](C2)C3=O 587422031 OYAJTMVVFJJMFW-ORAYPTAESA-N 342.778 3.774 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1COc3ccccc3C1)CC2=O 587491037 MVFMGCYLZWUBNF-JLTOFOAXSA-N 338.403 3.930 0 1 EHAF COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2cccc(F)c12 587635007 XSVYEPBVTLTQKE-UHFFFAOYSA-N 333.265 3.608 0 1 EHAF CCOc1ccccc1OCc1nc2c(Br)ccnc2[nH]1 587780323 PRKMEXGBUFKTGC-UHFFFAOYSA-N 348.200 3.698 0 1 EHAF COc1ccc(C=O)c(-c2nc3nc(C(C)(C)C)ccc3[nH]2)c1OC 587798332 UTOWQFXNKXCUBD-UHFFFAOYSA-N 339.395 3.752 0 1 EHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COC 587858958 QTQJIZOKWZSQJP-UHFFFAOYSA-N 329.183 3.542 0 1 EHAF Cc1c(F)ccc2c1[C@@](C)(CC(=O)N(C)c1ccccc1)NCC2 962376832 QYOWQRCNDGWZFP-HXUWFJFHSA-N 326.415 3.548 0 1 EHAF CCOc1ccc([C@H]2c3ccsc3CCN2C(N)=O)cc1Cl 962710124 LGWJHMRVBXQMLN-HNNXBMFYSA-N 336.844 3.826 0 1 EHAF CC(C)Cc1nn2cc(Cl)ccc2c1Cc1cccc(C(=O)O)n1 1772607569 VHIJGULBWQCDOS-UHFFFAOYSA-N 343.814 3.870 0 1 EHAF O=C(CCCCCc1ccc(C(F)(F)F)cc1)N1CCOC1=O 1857642926 MPHVZVTVRCXATQ-UHFFFAOYSA-N 329.318 3.787 0 1 EHAF CC(=O)C[C@@]1(O)C2=C3Nc4ccccc4[C@H]3C=CN2c2ccccc21 2356306924 LBWYAILKPREKBJ-VFNWGFHPSA-N 330.387 3.622 0 1 EHAF COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 2478303 JDYOSURQHIKILV-UHFFFAOYSA-N 344.342 3.507 0 1 EHAF CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 3895737 AQQROLPNBMFHBE-JOCBIADPSA-N 336.520 3.648 0 1 EHAF CC1CCN(C(=O)c2nn(C)c3c2CSc2ccccc2-3)CC1 6817593 STVCKFDGKIMJDI-UHFFFAOYSA-N 327.453 3.565 0 1 EHAF Oc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1 13799531 HVAIXAGEXCAFHX-UHFFFAOYSA-N 329.415 3.865 0 1 EHAF CC1=C2CC/C(C)=C/CC[C@](C)(O)[C@@H](O)CC/C(C)=C/[C@@H]2OC1=O 15049268 KISXSEZMRISOQB-BUHUPKIQSA-N 334.456 3.587 0 1 EHAF CN(C)[C@@H](c1ccccn1)C1CCC(CNC(=O)C2CCCC2)CC1 19581611 XMTNOSDZYDYGKA-LBXVMSDZSA-N 343.515 3.797 0 1 EHAF O=C(O)[C@H]1Cc2cc3c(-c4cccc(F)c4)noc3c(Cl)c2O1 25976893 TXTVKSJYASPLGA-LLVKDONJSA-N 333.702 3.675 0 1 EHAF c1ccc(CCCSc2nsnc2[C@@H]2CN3CC[C@H]2C3)cc1 26734827 BGEXBXZDZUBPIB-LSDHHAIUSA-N 331.510 3.682 0 1 EHAF COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 58574667 YCWVGXHIBUBRER-UHFFFAOYSA-N 336.435 3.759 0 1 EHAF CCS(=O)(=O)c1ccc2oc(-c3ccc4c(c3)CCC4)nc2c1 59097106 RJMUHOYBLMUKAO-UHFFFAOYSA-N 327.405 3.777 0 1 EHAF C[C@H]1CC[C@@H]2C(=O)O[C@H](C)CN2[C@@H]1c1ccc(Br)cc1 64539370 UVNCKUCDEJMPKS-DRABBMOASA-N 338.245 3.536 0 1 EHAF COc1ccccc1[C@@H](O)c1nnc(Nc2c(C)cccc2C)s1 82078471 NZKDZLQSRXBRJM-MRXNPFEDSA-N 341.436 3.989 0 1 EHAF CCCCNc1ncc(C(=O)NCC2CC2)c(-c2cccc(C)c2)n1 82145526 BAGMIIOESZBCGO-UHFFFAOYSA-N 338.455 3.804 0 1 EHAF C=CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(OC)cc2)OC1 82157861 FWZHZFNHUTZRPI-HXUWFJFHSA-N 335.403 3.566 0 1 EHAF Fc1ccc(F)c(-c2cc(NCc3ccc4c(c3)OCO4)ncn2)c1 82160941 OXHDVLNUPLPMJA-UHFFFAOYSA-N 341.317 3.763 0 1 EHAF CCCCCNc1ncnc2c1nc(-c1ccsc1)n2CCOC 82186459 CAEQHRFOPBIWGB-UHFFFAOYSA-N 345.472 3.803 0 1 EHAF COC(=O)C1=CN(Cc2ccccc2OC)C=C[C@H]1c1ccccc1 95584115 KBDXCEPLUKJGSU-SFHVURJKSA-N 335.403 3.865 0 1 EHAF CSc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1 96901419 TYDSNTMUQPPTLL-UHFFFAOYSA-N 338.480 3.607 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3ccc(O)cc3C[C@@H]21 100621115 GRNCWIUAXBAAEJ-QUCCMNQESA-N 332.403 3.595 0 1 EHAF CN1C[C@H]2C[C@@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)[C@H]1C2 103018069 VERXRKORTGMYCE-NSISKUIASA-N 335.447 3.628 0 1 EHAF Nc1nc(=O)[nH]c2c1[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 103290771 RCBCWBCBQCVADP-INIZCTEOSA-N 341.370 3.791 0 1 EHAF O[C@@]1(C(F)(F)F)c2ccccc2-c2c(-c3cncnc3)cccc21 144792298 ZNLJDCWSBWFFTI-KRWDZBQOSA-N 328.293 3.922 0 1 EHAF C[C@@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@H]3CC[C@]12C 169338193 VQISOTOPDCGBAH-DAXJGPEBSA-N 349.515 3.924 0 1 EHAF CCCOC(=O)[C@H]1C(C)=NC(c2ccccc2)=C(C(=O)OCC)[C@H]1C 169715643 QWIYMTSDMCWKDA-XJKSGUPXSA-N 343.423 3.641 0 1 EHAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCCCC1)[C@H](c1ccc(Cl)cc1)C2 253690336 MEFDIGWKZIICLQ-VJANTYMQSA-N 346.902 3.919 0 1 EHAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587071175 XAWOAXUYDRUCTI-VIFPVBQESA-N 339.748 3.919 0 1 EHAF Cc1ccnc2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc12 587074805 ZVVJBALBOJVLGO-UHFFFAOYSA-N 338.802 3.535 0 1 EHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)n1 587080870 UJQHZXBCKKKFPO-ZCFIWIBFSA-N 344.728 3.860 0 1 EHAF O=NCc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 587189791 FZUFYMTXYBJRMV-UHFFFAOYSA-N 341.680 3.959 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(C(=O)c1cccc(Cl)c1)[C@@H](C2)C3=O 587417938 FUDICBMKXLJPRQ-LIRRHRJNSA-N 342.778 3.738 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnc(C(C)(C)C)s1)[C@@H](C2)C3=O 587453613 XPZZJPZVCRTYGI-ZBEGNZNMSA-N 329.421 3.938 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(O)c1)CC2=O 587477875 JZUQZQHZZQAKKR-GOSISDBHSA-N 328.364 3.765 0 1 EHAF CNC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513932 VAXQYDLTFFNQLO-LJQANCHMSA-N 335.403 3.632 0 1 EHAF CC1(C)[C@H]2CC[C@]3(C2)[C@H]1c1nc2nc(O)nc(O)c2cc1CC3(C)C 587562176 QYEWZBGSYQNCBN-YZIJFISFSA-N 339.439 3.928 0 1 EHAF COc1ccoc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614576 CTQALTOHCWPING-BEFAXECRSA-N 338.315 3.697 0 1 EHAF Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C 587791383 LWPAJDKSBZDTMZ-JKYUHCHBSA-N 338.224 3.552 0 1 EHAF C[C@H](CCc1nc2cc(Br)c(F)c(F)c2[nH]1)CC(=O)O 587962219 BHTFSGBEBGIUEL-ZCFIWIBFSA-N 347.159 3.647 0 1 EHAF CCCOc1ccc(C(C)=O)cc1NC(=O)c1cccc(C(=O)O)c1 653697675 NUPMODQPNRAEJX-UHFFFAOYSA-N 341.363 3.629 0 1 EHAF COc1ccc2c(c1OC)[C@H](c1cc(C(C)(C)C)n[nH]1)N(C)[C@@H](C)C2 962618923 FJBMDMVRHOGINM-SGTLLEGYSA-N 343.471 3.690 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cn3c(n2)CCCC3)N1 962952836 WAJNKKRGMSGTGD-QKKBWIMNSA-N 334.467 3.889 0 1 EHAF COc1cc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)cc(OC)c1O 1857565949 SPZMBPXAZVAEAT-RMKNXTFCSA-N 339.391 3.550 0 1 EHAF C[C@H](NC(=O)N1C(=O)C[C@@H]1Sc1ccc(F)cc1)c1ccccc1 1857594405 NSIPFBFYAKEYEQ-SJCJKPOMSA-N 344.411 3.947 0 1 EHAF O=C(c1cc(-c2ccccc2)c(O)cc1O)N1Cc2ccccc2C1 1857746435 GSGAWSDJDQVBAJ-UHFFFAOYSA-N 331.371 3.921 0 1 EHAF CC[C@](C)(N)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@H](C)[C@]12C 2356345889 CWFCNWIAOJWEMI-BKDLZKTMSA-N 347.455 3.939 0 1 EHAF CC(C)=CCC(=O)[C@H](C)CCC[C@@]1(C)OCC(=CCO)CC[C@@H]1O 2356415023 XRDHAXIOHKTIGF-LSTHTHJFSA-N 338.488 3.567 0 1 EHAF CCO[C@H](CNC(=O)C=Cc1ccccc1)c1ccc(OC)cc1 2356663561 LXXLURHVWSXSJP-LJQANCHMSA-N 325.408 3.602 0 1 EHAF Cc1ccc([C@@H](c2sc3ncnn3c2O)N2CCC(C)CC2)cc1 23643602 MYZYVHYBPIOXCQ-HNNXBMFYSA-N 342.468 3.626 0 3 EHAF CCCCCCC1=NOC[C@@]1(C)C(=O)NCCc1ccc(F)cc1 4214454 WJBAGODRONBXEN-LJQANCHMSA-N 334.435 3.847 0 1 EHAF S=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2cccc(Cl)c2)CC1 6335367 ISSFEBVKYUYWBG-JJRVBVJISA-N 349.931 3.525 0 1 EHAF CC(C)CCNC(=O)C1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1 8599739 AUGOBATUCAWIAB-UHFFFAOYSA-N 348.878 3.595 0 1 EHAF C[C@H](CCO)CC[C@@H]1C(C(=O)O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@]12C 13330319 DWSLSQNKRUODOY-BOXKXSMZSA-N 338.488 3.619 0 1 EHAF biogenic CCc1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)cc1 13600484 QTKKXCGPLWMBFZ-UHFFFAOYSA-N 344.418 3.523 0 1 EHAF CCCOc1ccccc1-c1nc2c(c(C)nn2C(C)(C)C)c(=O)[nH]1 13755569 HYXXYZRLXXTYTI-UHFFFAOYSA-N 340.427 3.639 0 1 EHAF O=c1oc2cc(O)ccc2c2c1CN(Cc1ccc(Cl)cc1)CC2 13764629 DTSBUYTYJIUAIH-UHFFFAOYSA-N 341.794 3.710 0 1 EHAF O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1 13861761 RQNONIVDXRQTQB-UHFFFAOYSA-N 334.872 3.797 0 1 EHAF CN1CC[C@H](c2nccc3c2[nH]c2cc(Br)ccc23)O1 14659453 FJNATDQAXALGTR-CYBMUJFWSA-N 332.201 3.787 0 1 EHAF biogenic CN(C)c1ncnc2c1ncn2C(c1ccccc1)c1ccccc1 25977286 OOSWQYTTWICSGG-UHFFFAOYSA-N 329.407 3.530 0 1 EHAF CC(C)(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 40834611 AILKVNMCCFEAQT-LBPRGKRZSA-N 329.271 3.730 0 1 EHAF Cc1ncccc1Oc1ccc(NC(=O)c2nc3ccccc3[nH]2)cn1 40935740 QSXOQPAIEYOFMG-UHFFFAOYSA-N 345.362 3.706 0 1 EHAF CC[C@H](C)[C@H](Cc1coc2nc(N)nc(N)c12)c1ccccc1OC 45350905 AYLKSELOGWVDPG-FZMZJTMJSA-N 340.427 3.768 0 1 EHAF COc1cc2c(c(OC)c1OC)[C@H](OC)C[C@@H](c1ccccc1)O2 49110046 IMKNBXLCVBCZGQ-UONOGXRCSA-N 330.380 3.924 0 1 EHAF biogenic COCC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1 66156815 CJSHFFJGWBKZBV-UHFFFAOYSA-N 334.379 3.605 0 1 EHAF COc1cc(-c2nc(CN3CCCC[C@H]3C)co2)cc(OC)c1OC 72102520 VUJKBHATOVIGQY-CYBMUJFWSA-N 346.427 3.742 0 1 EHAF CCOC(=O)c1nn(C(=O)Nc2ccc(Cl)cc2)c2ccccc12 72177082 IMKZSOGOBFJYHK-UHFFFAOYSA-N 343.770 3.947 0 1 EHAF C/C=C/c1ccc([C@@H]2[C@H]3CN(Cc4cccc(OC)c4)C[C@@H]2N3)cc1 100108848 MOAOOJKSWUGZEJ-KGXZWOAHSA-N 334.463 3.668 0 1 EHAF Fc1ccc(CNc2nc(N3CCCCC3)nc3ncccc23)cc1 140988280 LWFGHDBXPFLXIO-UHFFFAOYSA-N 337.402 3.766 0 1 EHAF Cc1nc(C(=O)N[C@H]2[C@H]3C[C@@H]4C[C@H]3C[C@H]2C4)c(C)n1-c1ccccc1 169362396 LNFIGJSRRJNZFD-WDDRRTDCSA-N 335.451 3.654 0 1 EHAF O=C1[C@@H]2CCCN2[C@H](c2cccc(Cl)c2)N1c1ccc(F)cc1 250105539 DHRPDKSOYBHBLZ-IRXDYDNUSA-N 330.790 3.989 0 1 EHAF CCCc1ccc(/C=C2\CN3[C@H]4CC[C@H]3[C@@H](C(=O)OC)[C@H]2C4)s1 261183464 WPYLGFOVJBBYHQ-BLGWQAKDSA-N 331.481 3.740 0 1 EHAF Cc1nc(-c2c[nH]cc2-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cs1 587022251 WKTWVTPTPQWJBH-OAHLLOKOSA-N 338.396 3.714 0 1 EHAF COc1nccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c12 587048116 DSSGWZWQDBZQPS-UHFFFAOYSA-N 344.802 3.881 0 1 EHAF Cc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587118824 QUUUAJIHWWZGCN-UHFFFAOYSA-N 347.300 3.790 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCCOc4c(C)cccc41)[C@@H](C2)C3=O 587450044 CRIRNTSKMPRHOY-KKSFZXQISA-N 336.387 3.819 0 1 EHAF C[C@H](O)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587531907 NMARWRGXFACZLI-HXPMCKFVSA-N 328.433 3.868 0 1 EHAF COC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(F)ccc12 587632496 FVYIPDPNZCAEPO-UHFFFAOYSA-N 331.730 3.983 0 1 EHAF COc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)OCCO4)CC2 587946761 MWVDJKXKSZRJNL-ZDUSSCGKSA-N 336.391 3.615 0 1 EHAF CC[C@]1(c2ccc3c(c2)OCO3)N[C@@H]2CC[C@H]2c2ccc(OC)cc21 962995196 MLQYMDWKQJYIGS-YRISNDGFSA-N 337.419 3.927 0 1 EHAF CCCN1[C@H](c2ccc(S(C)(=O)=O)s2)c2ccccc2C[C@H]1C 963244217 VKZKWUAPYSIKJL-ACJLOTCBSA-N 349.521 3.898 0 1 EHAF CN1CCC([C@@]2(O)c3ccccc3CSc3sccc32)CC1 5510092 RBIZGRHTTSFDPW-GOSISDBHSA-N 331.506 3.932 0 3 EHAF CC[C@@]1(O)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC(C)C 3876053 TUNMGCULOKMBNJ-YRISNDGFSA-N 347.499 3.810 0 1 EHAF Cn1ccc(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1 13743581 XXCDFTSGHCCTTO-UHFFFAOYSA-N 329.396 3.902 0 1 EHAF COc1cccc(/C=C/c2ccc3c(C(=O)O)ccc(C(=O)O)c3n2)c1 28957925 KHCNEXMWQLRYPJ-AATRIKPKSA-N 349.342 3.810 0 1 EHAF FC(F)(F)c1cccc(C[C@@H](c2ccccc2)N2CCNCC2)c1 36093330 PGYQPHBCJVVZFQ-SFHVURJKSA-N 334.385 3.894 0 1 EHAF CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCCCCC(=O)O)cc1 36486333 VSHONWDMNVODGL-QGZVFWFLSA-N 347.455 3.751 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@@H]1[S@@]2=O 40587721 MIMHZFDDUBVDSD-PDIWNARXSA-N 347.263 3.550 0 1 EHAF O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2occc2c1 42963488 HHTPKGOFGTYZBP-UHFFFAOYSA-N 347.418 3.691 0 1 EHAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](O)[C@@H](CC3CCCC3)CN1CC2 71332204 XALFRGKXCLWMIA-YTQUADARSA-N 345.483 3.564 0 1 EHAF Cc1nc2c(Cl)cccc2n1-c1ccc(C(=O)NC2CC2)s1 84602906 QYTSCVYESJQBQB-UHFFFAOYSA-N 331.828 3.941 0 1 EHAF O=C(c1ccccc1)c1ccc2[nH]c(NCC[C@H]3CCCNC3)nc2c1 84726915 IFAQXWLODPYNQB-OAHLLOKOSA-N 348.450 3.596 0 1 EHAF COC(=O)[C@H]1[C@H]2CC[C@H](C[C@H]1c1cccc(-c3nccs3)c1)O2 101501414 GICLXVPHVQLGJY-QKPAOTATSA-N 329.421 3.634 0 1 EHAF Clc1ccc2c(NCCNc3ccnc(Cl)n3)ccnc2c1 103260177 MAWOYNWKWFPABM-UHFFFAOYSA-N 334.210 3.856 0 1 EHAF COc1cc(N[C@@H](C)CCCN[C@H](C)CCCN)c2ncccc2c1 169321319 FTNBXWGPFWOFNL-CVEARBPZSA-N 344.503 3.541 0 1 EHAF C=C/C(C)=C\C=C\[C@@](C)(O)C[C@H](OC(=O)/C(C)=C\C)[C@H]1OC1(C)C 238741250 GCBHUVDLKRWKNI-DPFMIVLMSA-N 334.456 3.871 0 1 EHAF Cc1coc2c1C[C@H]1[C@](C)(O)[C@H](OC(=O)CC(C)C)CC[C@]1(C)C2 238756428 XQLBOODLMKZFEY-LFGUQSLTSA-N 334.456 3.812 0 1 EHAF C[C@@H](O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 255252535 OFWWSHNAQHDEIN-HOYPNVSDSA-N 334.500 3.566 0 1 EHAF COc1cc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2cc1F 586882606 ZVDWLTCPLGOGFP-UHFFFAOYSA-N 340.354 3.639 0 1 EHAF Oc1ccc(C2(c3nc4c(Br)ccnc4[nH]3)CC2)cc1 586896722 WBCUZQDERDCZKJ-UHFFFAOYSA-N 330.185 3.506 0 1 EHAF COc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586983688 HKVCHRQFJJYWLN-CYBMUJFWSA-N 346.228 3.577 0 1 EHAF N[C@@]1(c2nc3ccc(Br)cc3[nH]2)C[C@@H]1c1ccccc1F 587157886 VFJWEQCAEDDKDH-BZNIZROVSA-N 346.203 3.806 0 1 EHAF COc1ccc(C[C@H](C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587403256 LLIHEUQNTQYSNU-ORAYPTAESA-N 325.408 3.798 0 1 EHAF CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F 587425965 IXHRCTJELSZNLU-JLTOFOAXSA-N 342.366 3.896 0 1 EHAF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@H](C)O)CC2=O 587493870 IGEWJTHFBITVCA-VOJFVSQTSA-N 332.421 3.648 0 1 EHAF CN(C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C 587509512 ZNKMYMMSWXUYTJ-CQSZACIVSA-N 345.439 3.766 0 1 EHAF CCC1CCC([C@H]2CCc3nc4nc(O)nc(O)c4cc3C2)CC1 587560961 DFNWSUCICXQUCB-BPCQOVAHSA-N 327.428 3.757 0 1 EHAF Cc1ccncc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588663 UJLYSIXDWWVLBB-RXVVDRJESA-N 347.370 3.973 0 1 EHAF CCOc1ccc(OCC)c(-c2nc3ccc(C(=O)OC)cc3[nH]2)c1 587777627 CHHGDBYRPTWNHO-UHFFFAOYSA-N 340.379 3.814 0 1 EHAF CC(=O)CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814844 WEPAJBHVYGRFBN-BJOHPYRUSA-N 328.225 3.707 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@@H]2C)N1 587816589 AQWCISGGFNJHQL-KCWFYHRYSA-N 340.236 3.707 0 1 EHAF COc1ccoc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587826260 DYLBFVQSPRZQCM-RMLUDKJBSA-N 340.192 3.813 0 1 EHAF O=C(NCCc1nc(-c2ccccc2)cs1)N1CCCCCC1 653850664 BXUMHKLEKSUVBT-UHFFFAOYSA-N 329.469 3.938 0 1 EHAF Cc1[nH]c2c([C@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)cccc2c1C 963023487 JUXXLICTTIKHLG-QKKBWIMNSA-N 345.446 3.927 0 1 EHAF Cc1cc(-c2nc3ccc(F)cc3n2Cc2ccccc2)cn(C)c1=O 1772579861 QQIMRCBIAXOFEL-UHFFFAOYSA-N 347.393 3.898 0 1 EHAF COc1cccc(CN=c2ccc(NCc3cccc(OC)c3)c[nH]2)c1 1857582331 NLDUKHGAJQUKGP-UHFFFAOYSA-N 349.434 3.745 0 1 EHAF Clc1ccc(Nc2cncc(N3C[C@@H]4C[C@H](C3)N4)c2)c(Cl)c1 1857630131 BMLUJVNTDGYZQL-BETUJISGSA-N 335.238 3.683 0 1 EHAF C[C@@H](C(=O)NC1CCCC1)n1c(-c2ccccn2)nc2ccccc21 95600750 PXYAEGMCFVFMOG-AWEZNQCLSA-N 334.423 3.718 0 3 EHAF CC(C)(C)c1noc(-c2ccccc2)c1C(=O)N[C@H]1CCCC[C@H]1O 775475 LIBYZTUVJRDESV-LSDHHAIUSA-N 342.439 3.672 0 1 EHAF Cc1cnc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)cn1 4266122 ZMNNUUYGMZMMSG-UHFFFAOYSA-N 346.394 3.612 0 1 EHAF Cc1ccc2c(c1)[C@H]1CCC[C@H]3[C@H]1N2CC(=O)N3Cc1ccccc1 13154794 PZJPBWRMOCJEBR-AGHHOFFYSA-N 332.447 3.862 0 1 EHAF O=C(NCc1ccc(Cc2c[nH]cn2)cc1)Nc1ccccc1Cl 13439932 QVPROOGXXBWFSA-UHFFFAOYSA-N 340.814 3.976 0 1 EHAF COc1ccc2c3c1O[C@H]1CCC[C@@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 26718582 GZSBGDLKFWEKEP-KZFRKFNSSA-N 339.479 3.925 0 1 EHAF Cc1cc(C)nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)n1 33504928 WDGHSVAGRWFNGR-AWEZNQCLSA-N 337.807 3.665 0 1 EHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)O)CC[C@H]4[C@H]3CC[C@@H]12 34801237 SMKOQYDIZVBLMS-RIEVVKQBSA-N 333.472 3.551 0 1 EHAF CCCCCC[C@@H]([C@@H](C)O)n1cnc(C(=O)NCc2ccccc2)c1 40504940 CFWDVWNYKYWZEX-APWZRJJASA-N 343.471 3.705 0 1 EHAF C[C@H]1[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC(=O)[C@@H]1C 40670299 OPCNDODYLHTBLM-CFTCIKEMSA-N 339.479 3.532 0 1 EHAF CCOC(=O)c1cc2c(ccn3cc(-c4cccc(OC)c4)nc23)[nH]1 49055580 CBMOHPDYIKHTLS-UHFFFAOYSA-N 335.363 3.668 0 1 EHAF COc1ccc(-c2nc3ncnc(NCc4ccccc4)c3n2C)cc1 58608253 NMXFNXVKJQMHDG-UHFFFAOYSA-N 345.406 3.651 0 1 EHAF O=C(O)C1CN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64446479 CXDSZAINFKAKPN-OFNKIYASSA-N 347.458 3.640 0 1 EHAF CO/C=C(/c1cc(OC)cc(OC)c1)c1ccc(OC)c(OC)c1 84538220 XTZJATGJPJIUEC-SFQUDFHCSA-N 330.380 3.757 0 1 EHAF CC1(C)Cc2ccc(-c3cncc(Cl)c3)cc2[C@@]2(COC(N)=N2)C1 95603484 HANZPKHAZCWEQZ-IBGZPJMESA-N 341.842 3.915 0 1 EHAF CCOC(=O)C1=C[C@H](c2ccc(F)cc2)[C@@H]2C(=O)CC(C)(C)CC2=N1 169723783 YSHAWDSMLPOQOW-KDOFPFPSSA-N 343.398 3.816 0 1 EHAF C[C@H]1C/C(=C/C(=O)O)C2OC3(CC(=O)[C@@H]4C(C)(C)CCC[C@@]4(C)[C@H]13)O2 238739375 IZFWOIUEWBPLPY-PTJILHIASA-N 348.439 3.528 0 1 EHAF COCOc1ccc2c(c1)O[C@@H](C1=CC[C@H]3C[C@H]1C3(C)C)CC2=O 299839229 RZHVOMHASGAZGG-JOKNJTHLSA-N 328.408 3.996 0 1 EHAF Oc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587005944 AYACWPALWZSPDN-UHFFFAOYSA-N 328.169 3.951 0 1 EHAF COc1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2n1 587068937 GLSNPJGWZAWTOZ-SNVBAGLBSA-N 329.787 3.996 0 1 EHAF O=C1c2ccccc2-c2cc(-c3ccc(O)nn3)nc3cccc1c23 587105996 JJMLAQWNKDRGKT-UHFFFAOYSA-N 325.327 3.609 0 1 EHAF CC(=O)c1ccc(-c2cc(-c3nc4cnnc(O)c4[nH]3)ccc2F)cc1 587139421 ITCMUDBOURVZPK-UHFFFAOYSA-N 348.337 3.734 0 1 EHAF Cc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 587236507 AABBFXKZWPUKFN-UHFFFAOYSA-N 345.443 3.526 0 1 EHAF CC(C)[C@H](N)c1nc2c(Br)ccc(Br)c2[nH]1 587258816 LPKJSMUFTSOKSL-QMMMGPOBSA-N 347.054 3.744 0 1 EHAF COc1ccc2[nH]cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2c1 587396691 NWLDCLGKQKSYRX-HXUWFJFHSA-N 336.391 3.948 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C[C@H]1N=O 587470919 WXDGDUWXGIZBBP-QUCCMNQESA-N 337.375 3.897 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3cncn3)cc1)CC2=O 587474814 HHNOMUCTEBFAHK-LJQANCHMSA-N 349.390 3.632 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2F)N1 587728123 RJALIMSQBMWNLH-AYVTZFPOSA-N 339.183 3.746 0 1 EHAF CC[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813058 MRZAEHMLDAYPJD-PXTQAZKISA-N 342.252 3.953 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccs2)N1 587854592 RBUXBYGDDSUYRO-JVXZTZIISA-N 327.222 3.668 0 1 EHAF COc1ccc(/C=C\Cc2nc3cncc(Cl)c3[nH]2)c(OC)c1 587931046 YJEMIWYHQKHXPQ-ARJAWSKDSA-N 329.787 3.884 0 1 EHAF O=C(CN1CCCCC1)Nc1ccc2oc(-c3ccco3)nc2c1 1857765890 YJKSXILGDKVDBO-UHFFFAOYSA-N 325.368 3.512 0 1 EHAF C[C@]1(O)CC[C@H]2[C@@H]3CC=C4N5CCN=C5CC[C@]4(C)[C@H]3CC[C@@]21C 4758292 IYTWAYCUKKPIHQ-TTYLFXKOSA-N 328.500 3.982 0 1 EHAF COc1ccc2[nH]c3c(c2c1)[C@]1(c2cccc(O)c2)CCN(C)[C@H](C3)C1 13755998 QRSAMOUGQMIXEX-IVZQSRNASA-N 348.446 3.819 0 1 EHAF COc1ccc2c(c1)c1c(n2C)CCC[C@@H]1CNC(=O)C1CCC1 13777801 JMRRAXDOPYESGD-CQSZACIVSA-N 326.440 3.523 0 1 EHAF Cc1noc(C)c1-c1ccc2ncnc(NCc3cccn3C)c2c1 13828613 JUVSLUOGXBWVBG-UHFFFAOYSA-N 333.395 3.852 0 1 EHAF C[C@@H]1C(=O)c2ccc3c(c2[C@H](c2ccc4c(c2)OCO4)[C@H]1C)OCO3 14618717 ZTOORMQTJNUZOQ-DINDLPBHSA-N 338.359 3.744 0 1 EHAF endogenous,in-man CN[C@@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1 28644606 XXBKLDUYHYSMNJ-MRXNPFEDSA-N 349.825 3.982 0 1 EHAF CCc1ccc(/C(=C\C[C@@H](N)C(=O)O)c2ccc(F)cc2F)cc1 28768434 FYWPLKCPFADHMJ-IKFRKZOMSA-N 331.362 3.761 0 1 EHAF COc1ccc(CCC(=O)CC(=O)CCc2ccc(OC)cc2)cc1 34322481 YUIYMFSYHAJDQP-UHFFFAOYSA-N 340.419 3.798 0 1 EHAF CC1=CC(=O)[C@@H]2[C@@H]3CC[C@H](C(C)C)[C@@]3(C(=O)O)CC[C@@]2(C)CC1=O 34494870 GJCBFSOLWIBJCP-KYRADNFISA-N 332.440 3.644 0 1 EHAF biogenic CCCOC(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1 42921450 LOOUQLHBVLJNSN-UHFFFAOYSA-N 333.476 3.786 0 1 EHAF CCn1ccc2cc(C(=O)c3ccc(OC)c(OC)c3OC)ccc21 45287011 SHYVDAFJPNAOGG-UHFFFAOYSA-N 339.391 3.918 0 1 EHAF O[C@H](CCN1CC=C(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2 84653733 IDGXKCMPBMPCQQ-JOCHJYFZSA-N 349.474 3.920 0 1 EHAF COc1ccc([C@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 95585539 UDGSMCKILRWBIJ-ZIAGYGMSSA-N 330.380 3.698 0 1 EHAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1cccc(-c3nccs3)c1)O2 101501412 GICLXVPHVQLGJY-YHUYYLMFSA-N 329.421 3.634 0 1 EHAF O=c1oc2ccc(Cl)cc2c(=O)n1-c1ccc(C(F)(F)F)cc1 141298853 REKALUUMWGCNJR-UHFFFAOYSA-N 341.672 3.616 0 1 EHAF Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncc(=O)n1C 144609087 MEPLNFVCJZPSHZ-UHFFFAOYSA-N 346.390 3.733 0 1 EHAF CCC/C=C/[S@@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O 169729687 XCEOUXHWXRIWSV-MFJULSPGSA-N 336.409 3.690 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1C=C(C)[C@]2(C)CCC(=O)C[C@H]2[C@]1(O)C(C)C 238748464 PWPPAEVQZGIEJV-XJIZNWFWSA-N 334.456 3.587 0 1 EHAF COc1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2n1 586977154 OAHLRYSMWWCDKS-UHFFFAOYSA-N 332.201 3.628 0 1 EHAF COC(=O)[C@@H](C)c1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990329 CUVCEYMLUSHGTN-JTQLQIEISA-N 347.370 3.737 0 1 EHAF Fc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1F 587040161 GFBKAYVHTYJORC-KGLIPLIRSA-N 331.391 3.787 0 1 EHAF O=C(O)c1cc(F)cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 587092524 QUZGWABOGXMEGH-UHFFFAOYSA-N 343.236 3.550 0 1 EHAF Cc1ccc2c3c(c4c(nc13)C[C@H](CO)CC4)-c1ccccc1C2=O 587102624 YPAWKWTWXFSCNV-CYBMUJFWSA-N 329.399 3.852 0 1 EHAF C[C@]1(c2nc3cc(Cl)cnc3[nH]2)C=C(c2ccccc2F)NO1 587154406 FDNGOACPVQHNOU-MRXNPFEDSA-N 330.750 3.542 0 1 EHAF NCc1cccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587247167 WROJVGNVSJOGRI-UHFFFAOYSA-N 327.387 3.920 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1C(=O)OC(C)(C)C)O2 587392328 YTHGLVWJRCWFEX-INIZCTEOSA-N 342.395 3.868 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(c1)CCCO3)CC2=O 587491034 RCUCNTVYOZDCLN-GOSISDBHSA-N 339.391 3.771 0 1 EHAF COc1cccc([C@@H](C)Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 587929523 BMRFURCRRNGABZ-ZDUSSCGKSA-N 337.423 3.620 0 1 EHAF CC1=Nc2ncnn2[C@@H](c2ccccc2)/C1=C(/O)OCc1ccccc1 618007177 OCZPCDKGKLDDPK-VZCCSQPZSA-N 346.390 3.960 0 1 EHAF C[C@]1([C@H]2CCCO2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962644920 XWFGMKMEDYFFIJ-MDNUFGMLSA-N 348.490 3.828 0 1 EHAF CC[C@@H]1C[C@@]2(CCO1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962719017 VDOLUJGOZKHGGM-CLCXKQKWSA-N 335.488 3.974 0 1 EHAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(S(C)(=O)=O)s1 963244232 VKZKWUAPYSIKJL-UGSOOPFHSA-N 349.521 3.898 0 1 EHAF Cc1ccc(C(=O)c2cc([C@H]3NCCc4ccc(O)cc43)n(C)c2)cc1 963342024 QCZUYKNSHZUHDX-NRFANRHFSA-N 346.430 3.505 0 1 EHAF Cc1ccccc1C1=NO[C@H](COc2ccc3ccc(=O)oc3c2)C1 1772634301 KSAGZCDNTPHSBF-INIZCTEOSA-N 335.359 3.673 0 1 EHAF COC(=O)C=C(C)CC[C@@H]1C(=O)CC[C@@H]2C(C)(C)C(=O)CC[C@]12C 2356504439 RLSAQUYQTNBTEO-AKCHCHLHSA-N 334.456 3.877 0 1 EHAF COC(=O)C=C(C)CC[C@@H]1C(=O)CC[C@@H]2C(C)(C)C(=O)CC[C@@]12C 2356504441 RLSAQUYQTNBTEO-KKVAFCGZSA-N 334.456 3.877 0 1 EHAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@@H](O)[C@@H](O)c2c(C)coc2C1 2356680573 MDOFFBZEZOKVIK-LRLHPVAZSA-N 334.456 3.839 0 1 EHAF c1ccc(C[C@H]2CNCCN2CCc2cccc3ccccc23)cc1 61711186 RJQJUPDWOUBTAH-QFIPXVFZSA-N 330.475 3.899 0 3 EHAF O=C(O)[C@H](CCOc1cccc2ccccc12)CN1CCCCC1 26719451 WDGXKKJNYGANSK-QGZVFWFLSA-N 327.424 3.795 0 1 EHAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H]2OC(=O)CCC/C=C\C[C@H]12 27871525 LJEHYEYWZYPKKY-CLQOMRTCSA-N 334.456 3.731 0 1 EHAF CCc1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 28395055 IDPBAQRCYZRUJG-UHFFFAOYSA-N 327.391 3.954 0 1 EHAF COc1ccc(CNc2cc(-c3cc(F)ccc3OC)ncn2)cc1 82160175 RSGKUBAFMQTGMV-UHFFFAOYSA-N 339.370 3.912 0 1 EHAF C[C@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100798948 IIKHDOHLMOEJTH-UBHSHLNASA-N 339.888 3.989 0 1 EHAF Cc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1C 103266646 WXXURXCYKRMJTM-UHFFFAOYSA-N 345.346 3.704 0 1 EHAF Cc1cc(C#Cc2cccc(F)c2)cnc1N1CC(C)(C)N(C)C1=O 144064610 YJGLEGKIKAJLCG-UHFFFAOYSA-N 337.398 3.579 0 1 EHAF C[C@H](CO)CCC[C@](C)(O)CCC[C@H](C)CCC(=O)[C@@H](C)CCO 144557126 KVWYIWRSDKQRFM-CGBFIWBNSA-N 344.536 3.710 0 1 EHAF in-vitro C[C@@H]1CC=C(c2ccc3c(c2)C(=O)N(Cc2ncccn2)CCO3)CC1 206192091 DHKRYOBGCPJNTB-OAHLLOKOSA-N 349.434 3.715 0 1 EHAF Clc1ccc(CN2CCC3(CC2)CC(c2cccnc2)=NO3)cc1 299850233 SBLPMLWLPDENIK-UHFFFAOYSA-N 341.842 3.894 0 1 EHAF FC(F)(F)Oc1cccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 586918947 UZBZCQCYQNBHOU-ZDUSSCGKSA-N 336.269 3.974 0 1 EHAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n(C)n1 586988068 XMWOSBAWBBVCSY-UHFFFAOYSA-N 341.370 3.861 0 1 EHAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(C(=N)N)cc2[nH]1 587067713 LXRXTBUJCPULNN-SNVBAGLBSA-N 328.803 3.949 0 1 EHAF COC(=O)c1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cn1 587085641 YJHROCMLRJIUKJ-UHFFFAOYSA-N 338.754 3.613 0 1 EHAF C[C@@H](Oc1ccc(F)cc1)c1nc2cncc(Br)c2[nH]1 587169586 ZUTBNBFXRDQEKX-MRVPVSSYSA-N 336.164 4.000 0 1 EHAF CC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175569 UNWDJJJQWNXUIN-HNNXBMFYSA-N 336.370 3.628 0 1 EHAF O=C(O)Cc1c(CCC(=O)c2ccccc2)nc2cccc3c2c1CC3 587215419 NFPYAPJZXCVRJY-UHFFFAOYSA-N 345.398 3.776 0 1 EHAF COc1cc2c3c(c1)O[C@@H]([C@H](C)COCc1ccccc1)[C@@H](C2)C3=O 587439905 DUCNHVFCLOOJEA-JRQSSSKMSA-N 338.403 3.664 0 1 EHAF CCC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812131 IIRRFOKAFHXTJM-PSLIRLAXSA-N 328.225 3.707 0 1 EHAF COc1cccc(C2(c3nc4cccc(C(N)=O)c4[nH]3)CCCC2)c1 587931548 ALOPGDBXAWTFLS-UHFFFAOYSA-N 335.407 3.531 0 1 EHAF CCOc1ccc(OCC)n1-c1cccc(C2=NC(C)(C)CO2)c1 587936880 YLUCYJRWWBDYFK-UHFFFAOYSA-N 328.412 3.830 0 1 EHAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(Br)cc4[nH]1)(C3)C2 587969320 LYTIBGGCWOIGDS-FYBJUZMNSA-N 345.240 3.972 0 1 EHAF O=C1CCC(c2ccccc2)(c2nc3ccc(CCO)cc3[nH]2)CC1 587970200 DCDIKGJOCXNEOI-UHFFFAOYSA-N 334.419 3.527 0 1 EHAF COc1ccc(CCSCC(=O)c2noc(C(C)(C)C)n2)cc1 653912222 UHRXMIQRNQXSAA-UHFFFAOYSA-N 334.441 3.534 0 1 EHAF Cc1nccn1C[C@@]1(C)NC2(CC2)Cc2ccc(Br)cc21 961614905 NZZZLNFRDLDYET-MRXNPFEDSA-N 346.272 3.548 0 1 EHAF CC(C)C[C@@H](N)Cc1ncc(-c2ccc(OC(F)(F)F)cc2)[nH]1 1772645816 OBUMOLLXBZGTPS-GFCCVEGCSA-N 327.350 3.891 0 1 EHAF C[C@H](N)C(=O)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1 1857580175 OEUKIVBCINJEJS-JTQLQIEISA-N 339.222 3.749 0 1 EHAF Cc1cc(/C=C2\C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)ccc1F 1857652650 OMUXXXQJTDYKFZ-CRNMQVKPSA-N 340.350 3.662 0 1 EHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@H](O)[C@@]2(C)O 2356532341 JWWWAEIMVGEDRK-SLBIIXIFSA-N 338.488 3.762 0 1 EHAF COc1cc(-c2oc3ccc([C@@H](O)[C@H](C)O)cc3c2C)ccc1O 13340411 YUGNNXHPUAKQQQ-VOJFVSQTSA-N 328.364 3.537 0 1 EHAF biogenic CCN[C@H](c1ccc(OC)cc1)[C@H](NCC)c1ccc(OC)cc1 27898609 RWBJZGOKQIHOFV-WOJBJXKFSA-N 328.456 3.705 0 1 EHAF COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(Cl)nc3)c1C2 28954405 UREGRWGRNLXNDL-UHFFFAOYSA-N 327.771 3.714 0 1 EHAF O=C(Nc1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1 71318486 HZIDPMSJVIAHKR-UHFFFAOYSA-N 341.370 3.638 0 1 EHAF COc1ccc(OC)c(NCc2coc(-c3ccc(O)cc3)n2)c1 72100956 MULBIPCKAQPXSE-UHFFFAOYSA-N 326.352 3.677 0 1 EHAF Cc1ccn(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 72116222 VUEZBOYAXGKAME-IAGOWNOFSA-N 336.266 3.820 0 1 EHAF Cc1cn(-c2cc(F)c3c(N)ncnc3c2)c2c1C(=O)CC(C)(C)C2 84603757 CGQZDFCBQLVLJK-UHFFFAOYSA-N 338.386 3.605 0 1 EHAF O=C1C[C@H]2C[C@](c3cccc(O)c3)(CCN2CCc2ccccc2)C1 96910736 DDWSTFVVYKQOPV-SIKLNZKXSA-N 335.447 3.700 0 1 EHAF CCCN(CC)C(=O)c1cn(C)nc1OCc1cccc(Cl)c1 98083046 HFTYNGMSIIAKCT-UHFFFAOYSA-N 335.835 3.525 0 1 EHAF CC[C@H](C)n1cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 101239202 OQAURLNJGHHHBH-XIRDDKMYSA-N 339.483 3.967 0 1 EHAF Cc1ccc(C(N)=O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169699978 OGXAYNYLHCFWLU-UHFFFAOYSA-N 345.402 3.658 0 1 EHAF CC1=NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)OC1CCCC1 169719492 BFACNILAUBCXCC-HUUCEWRRSA-N 334.803 3.667 0 1 EHAF O=Cc1c(O)ccc2cc(-c3ccc(Br)cc3)c(=O)oc12 221057070 DJSPMRZGTUKARX-UHFFFAOYSA-N 345.148 3.741 0 1 EHAF CN(C)c1ccc(-c2ccc3ncc(-c4ccc(CO)cc4)n3n2)cc1 223802690 ZTYYNBIRNOTZLK-UHFFFAOYSA-N 344.418 3.622 0 1 EHAF Fc1cc(-c2cccnc2)cc2c1-n1c(nnc1-c1ccncc1)CC2 299861139 KOCAZTLLBBSERK-UHFFFAOYSA-N 343.365 3.629 0 1 EHAF Cc1ccc(-c2nc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)cs2)o1 587016457 LTNIHZHYYWXGPB-AWEZNQCLSA-N 339.380 3.979 0 1 EHAF c1cc(N=c2[nH]c(-c3nc4cnccc4[nH]3)cs2)c2cccnc2c1 587017533 LXAMUGYNGFTJRM-UHFFFAOYSA-N 344.403 3.795 0 1 EHAF Cc1ccc2c3c(cc([C@H]4CCCNC4=O)nc13)-c1ccccc1C2=O 587096487 KMNREIAEVNOHAN-OAHLLOKOSA-N 342.398 3.748 0 1 EHAF CC(C)OC(=O)C1(c2nc3cc(F)c(F)c(F)c3[nH]2)CC(F)(F)C1 587131752 SMEGKVYTXUMYOR-UHFFFAOYSA-N 348.271 3.599 0 1 EHAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587148824 CZDHQIKLGGSVIO-SSDOTTSWSA-N 330.294 3.563 0 1 EHAF Cc1c(F)ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 587158869 YJLWRTIBIJFIIC-SFHVURJKSA-N 327.334 3.941 0 1 EHAF Cc1ccc([C@]2(c3nccn3C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587389027 DHWPEPBAIAFNNM-NRFANRHFSA-N 347.418 3.528 0 1 EHAF CCCCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C 587440271 BPPDQMZNOQYHSQ-AKCHCHLHSA-N 330.424 3.797 0 1 EHAF CCC1(CC)[C@H](OC)[C@H](C)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444292 SXOGEWFDQHTGGH-FOSKQIFESA-N 330.424 3.653 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CSCCc4ccccc41)[C@@H](C2)C3=O 587450691 HIVBRBXKUMALPK-OXJNMPFZSA-N 338.428 3.627 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]2[C@@H]5[C@H]41 587487638 HCBZJVGSYXVATD-NYZSEAIKSA-N 336.431 3.827 0 1 EHAF CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587521588 DMDJJTHXEPIBQC-JLTOFOAXSA-N 328.408 3.633 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)o2)N1 587830779 URKXZXZMYQOHGA-GLEZIHRCSA-N 338.176 3.617 0 1 EHAF CC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1857536511 CIUZTBJZAMUYJU-XHIOTYGBSA-N 334.500 3.710 0 1 EHAF CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1c1ccc(C)o1 1911582493 NYXLOZHYRUGBIY-KRWDZBQOSA-N 337.379 3.768 0 1 EHAF C[C@@H](C=C[C@@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@]3(O)CC[C@@]21C)C(C)(C)O 2356391168 SHUNDKCHHXBLQQ-BLEXECOTSA-N 348.483 3.584 0 1 EHAF COc1cc2c(cc1OC)[C@H]1Cc3ccc(O)c(OC)c3C[C@H]1CC2 2356774142 RGWVMBFXIVOTSJ-DOMZBBRYSA-N 340.419 3.863 0 1 EHAF CN(C)C=C(NC(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F 2356838764 MCVNMUUJZBKLBH-UHFFFAOYSA-N 341.255 3.792 0 1 EHAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@@]12O)[C@@]3(C)[C@@]12CCC[C@@H]1CC[C@H]4C2 2356841392 NIBKGJSRUQHHMN-UOPYSQNESA-N 344.495 3.584 0 1 EHAF O[C@H](c1cc(C(F)(F)F)nc2c(F)cccc12)[C@@H]1CCCCN1 1606164 QZXXLTVOSXDWNR-SWLSCSKDSA-N 328.309 3.568 0 1 EHAF CC[C@H](Cc1ccccc1)NC(=O)C1=C(C)C(=O)OC12CCCCC2 6772418 KXKPUPRBXRJHQZ-QGZVFWFLSA-N 341.451 3.700 0 1 EHAF O=C(c1ccccc1)N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1 26662443 TXMWYKYJRAYYNL-OAQYLSRUSA-N 345.398 3.886 0 1 EHAF CN(C)C[C@H](c1ccc(Br)cc1)C1(O)CCCCC1 26732351 JTDRMEWIAHOIGB-OAHLLOKOSA-N 326.278 3.790 0 1 EHAF CCC(=O)N(c1cccc(C(F)(F)F)c1)[C@H]1CCC[C@@H]1N(C)C 28240693 JJRZMZGAQAOCDL-GJZGRUSLSA-N 328.378 3.931 0 1 EHAF Nc1c(CC(=O)O)cc(F)cc1C(=O)c1ccc(Cl)cc1Cl 28771880 HRCFKMKHWZWLOA-UHFFFAOYSA-N 342.153 3.573 0 1 EHAF COc1ccc(-c2ncccc2[C@@H]2SCC(=O)N2CC(C)C)cc1 28819688 AUXFWKYPNGFSIJ-IBGZPJMESA-N 342.464 3.987 0 1 EHAF COc1ccccc1-c1ccc2c(c1)c(CC(N)=O)cn2CC1CC1 28888292 USIAXGWBZQLMJA-UHFFFAOYSA-N 334.419 3.755 0 1 EHAF COc1ccccc1C(=O)Nc1nnc(-c2ccccc2F)s1 35289428 FSLZANGSNXLHSY-UHFFFAOYSA-N 329.356 3.605 0 1 EHAF CC[C@@H](C)Cn1c(-c2ccoc2)nc2c(NCC3CC3)ncnc21 82181445 HAJJOYDBOGHZRU-GFCCVEGCSA-N 325.416 3.954 0 1 EHAF CCCC(=O)Nc1ccc(NC(=O)N2Cc3ccc(C#N)cc3C2)cc1 166882640 FPZODEWGAASYFL-UHFFFAOYSA-N 348.406 3.845 0 1 EHAF O=C(O)c1ccccc1/C=C\c1nc2ccc(Br)nc2[nH]1 586882565 YBERDZIWZRRBIU-YVMONPNESA-N 344.168 3.589 0 1 EHAF Oc1ccc(C2(c3nc4cc(Br)cnc4[nH]3)CC2)cc1 586896249 MRGHPIHUZGGLOK-UHFFFAOYSA-N 330.185 3.506 0 1 EHAF O=C1O/C(=C/c2nc3cc(Cl)c(Cl)nc3[nH]2)c2ccccc21 586906753 PUPHFZKZQBLSAR-IZZDOVSWSA-N 332.146 3.933 0 1 EHAF FC(F)(F)[C@](F)(Cl)c1nc2cc(Br)ncc2[nH]1 587089669 FWCLBYSHGKQIHR-ZETCQYMHSA-N 332.482 3.644 0 1 EHAF CC/C=C\CCOC(=O)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587482517 PAIMKDBBQFYJOQ-PXDRNWIDSA-N 346.423 3.968 0 1 EHAF Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587585622 FKDDCCIVSKPNMP-PXNSSMCTSA-N 348.358 3.502 0 1 EHAF CCC1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1 587616246 JJZSTDYAIVNYBC-APWZRJJASA-N 340.375 3.539 0 1 EHAF CCn1ncc(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)c1C 587638294 VYBMFAGYOPDORC-UHFFFAOYSA-N 347.321 3.560 0 1 EHAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587932225 WDKXTWRJKQAXCV-RNODOKPDSA-N 336.391 3.788 0 1 EHAF Cc1cccc(C)c1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963237812 UWHXQPPIXYLUNY-UYAOXDASSA-N 332.403 3.540 0 1 EHAF Cc1ncc(C(=O)Nc2ccc(-c3cccc(OC4CC4)c3)cn2)cn1 1772582109 OLVXYGUVIQVQKG-UHFFFAOYSA-N 346.390 3.641 0 1 EHAF Cc1noc(C)c1-c1cc([C@H](O)[C@H]2CCCCN2)c2ccccc2n1 1857544376 AVQOYZNLALJJRG-XLIONFOSSA-N 337.423 3.682 0 1 EHAF COc1ccc(CN2C(=O)c3cc4cccc(OC)c4cc3C2=O)cc1 1857563107 FIYNDGIWJHMDTF-UHFFFAOYSA-N 347.370 3.653 0 1 EHAF O=C(Nc1nc2cc(-c3cccnc3)ccn2n1)c1cccc(Cl)c1 1857578730 KMASFCMZJXLZAX-UHFFFAOYSA-N 349.781 3.697 0 1 EHAF CC(=CC(=O)O)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)C[C@@]1(C)O 2356624143 SJCQJLXYLFQJRA-OUEOUJKYSA-N 338.488 3.762 0 1 EHAF COC[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]32)CC1=O 2356702792 TXOICHCTMJMZFA-PNJZEMHFSA-N 334.500 3.832 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)N[C@@](C)(CC[C@@H]21)C3 36387859 RVBWHVSPPRATHB-XNRDYXSJSA-N 347.499 3.831 0 3 EHAF CC(=O)N1CCC(=C2c3cc(F)ccc3CCc3cccnc32)CC1 2684 ROTYCHLMKZTPEY-UHFFFAOYSA-N 336.410 3.764 0 1 EHAF NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1 26008 SPOBBSBKXJKGBG-UHFFFAOYSA-N 349.209 3.950 0 1 EHAF COC(=O)[C@H](c1ccccc1C(F)(F)F)N1CCc2ccccc2C1 103268943 JIIAPWBCIPYVRW-KRWDZBQOSA-N 349.352 3.978 0 1 EHAF CNc1nc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)no1 26498229 QJLISYMFOIDWNJ-UHFFFAOYSA-N 342.399 3.703 0 1 EHAF Cc1sc2c(c1C)C(N1CCN(C)CC1)=Nc1cc(F)ccc1N2 61966140 ULNQCWIWQTWCOE-UHFFFAOYSA-N 344.459 3.887 0 1 EHAF Oc1cccc(Nc2nc(Nc3ccc4cn[nH]c4c3)ncc2F)c1 35876079 MBZMMQNDGGKJTG-UHFFFAOYSA-N 336.330 3.685 0 1 EHAF O=C(O)Cn1c(SCCCc2ccccc2)nc2ccccc21 84759276 PGTNKDHXJZKIAZ-UHFFFAOYSA-N 326.421 3.846 0 1 EHAF O=C1CS[C@H](c2ccc3c(c2)OCO3)c2c(ccc3[nH]ccc23)N1 82158131 DWZORTUBHHHDQD-GOSISDBHSA-N 338.388 3.671 0 1 EHAF CC(C)[C@H](C(=O)Nc1ncc(C(=O)O)s1)c1ccc(Cl)cc1 45340233 OXKSUDBYPIQVBY-LBPRGKRZSA-N 338.816 3.873 0 1 EHAF CC(=O)[C@H]1[C@@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 83924002 LOVNYFVWYTXDRE-SVMVYQPLSA-N 330.468 3.694 0 1 EHAF Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@]23CN(C)[C@@H](C)[C@H]2CC[C@@H]13 238775228 ZIVGXIAJOZYVLD-RQMTUJCISA-N 341.495 3.959 0 1 EHAF CN1OC[C@@H]2CN3C(=O)N(c4ccccc4)c4ccccc4[C@@H]3C[C@@H]21 95601999 XNCRXQXVBXBMBT-JVPBZIDWSA-N 335.407 3.567 0 3 EHAF CC(=O)[C@@]12[C@H](c3ccccc3)NC(=O)N3CC[C@@H]([C@H]31)[C@@H]2c1ccccc1 254005138 ALNREWIJIWNNFA-QXQWVWGKSA-N 346.430 3.514 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(Cl)ccc31)O2 587379890 MCLJSWNZQQRIPT-GOSISDBHSA-N 328.799 3.823 0 1 EHAF COC(=O)c1ccc2nc(-c3sc(C4CC4)nc3C)[nH]c2c1OC 587013043 WDQZNYNCJBVPLU-UHFFFAOYSA-N 343.408 3.667 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(O)ccc31)CC2=O 587492056 WITASIOOZAHGTA-FQEVSTJZSA-N 339.391 3.642 0 1 EHAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(Cl)c(Cl)cnc4[nH]1)(C3)C2 587969411 PAGGEGARSZYSGW-BTBJQWHKSA-N 336.222 3.912 0 1 EHAF CC[C@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587825280 CLJJZISZKABBHS-RFAUZJTJSA-N 344.224 3.593 0 1 EHAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(Cl)ccnc2[nH]1 587109165 UHGDAJHFQXYALJ-UHFFFAOYSA-N 341.676 3.995 0 1 EHAF CC(C)(C)Oc1ccc(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 587945932 PKWJTRNBUAVNMB-UHFFFAOYSA-N 341.386 3.880 0 1 EHAF CCOC(=O)C[C@@H](C(=O)CC)c1nc2cccc3c2c(c1C)CC3 587211442 GNJUJRKRALREIV-HNNXBMFYSA-N 325.408 3.658 0 1 EHAF C[C@@H]1O[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586918008 ZPRUTYUHJMLEAW-AJAUBTJJSA-N 337.095 3.684 0 1 EHAF Cc1ccc(C(C)C)n1-c1nn(-c2ncccn2)cc1Br 587941220 SMWSKMGMLWZVJH-UHFFFAOYSA-N 346.232 3.647 0 1 EHAF CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2cccc(F)c12 587634838 FXNQFDIVLPKYQF-UHFFFAOYSA-N 336.363 3.508 0 1 EHAF c1coc(CNCc2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2)c1 587232201 OADNKTXYECFKPB-UHFFFAOYSA-N 343.390 3.989 0 1 EHAF C[C@@H]1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587351142 GDZBDGFWCXMEEP-JSZUHDFRSA-N 340.350 3.628 0 1 EHAF COc1nccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587244937 RUPNHCMARZIDIA-UHFFFAOYSA-N 344.374 3.886 0 1 EHAF CC(C)c1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652075 KQIFECVDKDRSDT-UHFFFAOYSA-N 326.783 3.862 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(F)c2)N1 587732448 MMUGYUFYDRCUCI-GLEZIHRCSA-N 339.183 3.746 0 1 EHAF CC(=O)OCc1csc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587408292 ANJPCUFVGVKSDY-GOSISDBHSA-N 345.420 3.582 0 1 EHAF CN1C(=O)C[C@H]2CN[C@](C)(c3cc(Cl)ccc3F)c3cccc1c32 963017482 CRTNKOKHKXIPQN-WLRWDXFRSA-N 344.817 3.796 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(Cc1cccnc1)C(C)C 963611220 QNUUCVYPGNGIME-QVKFZJNVSA-N 340.467 3.727 0 1 EHAF COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1cc(C)cc(C)c1C2=O 5539725 ZBQOWEKJGGQRMW-UWJYYQICSA-N 348.402 3.817 0 1 EHAF O=C([C@@H]1CS[C@@H](c2cccnc2)N1)n1ccc2c(Cl)cccc21 13737431 HRZRCKXBQCMKEH-HOCLYGCPSA-N 343.839 3.734 0 1 EHAF CCCOC(=O)[C@@H]1C(C)=NC(c2ccccc2)=C(C(=O)OCC)[C@@H]1C 169715640 QWIYMTSDMCWKDA-CJNGLKHVSA-N 343.423 3.641 0 1 EHAF Cc1nnn2c1-c1ccc(CO)cc1N(c1ccc(Cl)cc1)CC2 1857746545 ORTRBMKXQWFMTN-UHFFFAOYSA-N 340.814 3.551 0 1 EHAF C[C@@H]1Oc2c(c(O)cc3oc(=O)cc(-c4ccccc4)c23)C(=O)[C@@H]1C 1617586 DLUPGSAQAPMEDY-MNOVXSKESA-N 336.343 3.765 0 1 EHAF COc1ccc2[nH]cc(CCNc3ncncc3-c3cccnc3)c2c1 4258352 YWDXTTPFBYGPIP-UHFFFAOYSA-N 345.406 3.683 0 1 EHAF COc1c2c(cc(O)c1C(C)C)[C@]1(C)CCC3=C(COC3=O)[C@@H]1CC2 14823674 TYSYVCOVDLVELY-YCRPNKLZSA-N 342.435 3.992 0 1 EHAF biogenic,in-vitro CCCC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1 26293484 FHLJEHLVQWICRD-UHFFFAOYSA-N 326.415 3.941 0 1 EHAF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1 28820523 GAWHGTOTTFVQOY-GFCCVEGCSA-N 348.855 3.731 0 1 EHAF Nc1nc(N)c2c(OC3(c4cccc(Cl)c4)CC3)cccc2n1 28971626 BLQMFOQHOZESEA-UHFFFAOYSA-N 326.787 3.516 0 1 EHAF COc1ccc2c(c1)[C@@]13CCN(CC4CC4)[C@@H](C2)[C@H]1C[C@@H](C)C(=O)C3 29217247 YMCAJSSZWHVMMT-QXHRYPSCSA-N 339.479 3.589 0 1 EHAF CN1CCC[C@@H]1COc1cnc(Cl)c(/C=C\c2ccncc2)c1 38149136 RWKPRGCPWHRQIL-YIEVGGLXSA-N 329.831 3.773 0 1 EHAF in-vitro Oc1ccc2c(c1)[C@]13CCC[C@H](C1)N(CCc1ccccc1)C[C@@H]3O2 40380591 RPHBDNREXVLWPF-WTNAPCKOSA-N 335.447 3.892 0 1 EHAF O=C(N1CCCC1)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 40407276 PMNGGGSGAMTCOG-FQEVSTJZSA-N 349.478 3.733 0 1 EHAF Cc1ccccc1-n1c(C)nnc1C1CCN(c2ccccn2)CC1 72123071 WKPUTGWASCNKOY-UHFFFAOYSA-N 333.439 3.663 0 1 EHAF COc1ccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)cc1 114338777 UGTSHNFNZYDEGQ-SFHVURJKSA-N 333.435 3.930 0 1 EHAF CC(C)(C)NC(=O)CN(Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 118678064 FQKNVXDSKZYTII-UXHICEINSA-N 336.479 3.959 0 1 EHAF C[C@H]1C(=O)S[C@@](C)(Cc2ccc(C(=O)c3ccccc3)cc2)C1=O 169720212 GYDRFPNNAMYDNO-XCLFUZPHSA-N 338.428 3.697 0 1 EHAF O=C1c2ccc(Cl)cc2O[C@H]2c3[nH]c4ccc(O)cc4c3CCN12 220322153 TVBDNGRZUVGNMS-SFHVURJKSA-N 340.766 3.616 0 1 EHAF O=C1O/C(=C\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc21 586905734 ABFRYMOBTCMEDV-YVLHZVERSA-N 346.321 3.556 0 1 EHAF Oc1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587004548 WOVKNCRSSZEHTC-UHFFFAOYSA-N 329.157 3.574 0 1 EHAF O=C(O)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120737 UQWWVOYDDSSNHD-UHFFFAOYSA-N 346.268 3.823 0 1 EHAF Fc1ccc2c(c1)C[C@H](c1nc3cncc(Br)c3[nH]1)O2 587173536 DDYODKMJBOCNGY-GFCCVEGCSA-N 334.148 3.536 0 1 EHAF Fc1ccc2c(c1)C[C@@H](c1nc3c(Br)ccnc3[nH]1)O2 587175235 WHXQRINALJGAOH-NSHDSACASA-N 334.148 3.536 0 1 EHAF CCCCSc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587410415 SQIXAPOKQSYULN-INIZCTEOSA-N 343.452 3.966 0 1 EHAF CCn1ncc([C@]2(C(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587431607 KVXKYZDOLKSYDB-FOIQADDNSA-N 340.423 3.519 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(CC)c1C)CC2=O 587475291 LNFRWBGSUCOIQD-LJQANCHMSA-N 328.412 3.750 0 1 EHAF C=CC(=O)NC(C)(C)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587514171 VVBZJDKNYHWIDU-NRFANRHFSA-N 341.451 3.760 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cn2)N1 587729927 IHZPILKFYGZDHO-VXJOIVPMSA-N 339.183 3.746 0 1 EHAF Cc1ccnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587767839 BIMXRQWBYPMJNU-QLJPJBMISA-N 335.220 3.915 0 1 EHAF CCOc1ccccc1OCc1nc2ccc(Br)nc2[nH]1 587780222 OZLDLRFWCDVISM-UHFFFAOYSA-N 348.200 3.698 0 1 EHAF NC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1 653716017 RQUHNRZOIBFSHS-UHFFFAOYSA-N 335.384 3.851 0 1 EHAF Cc1c(C(=O)N(C)c2ccccc2)[nH]c2ccc(Cl)cc2c1=O 1772633080 BBAILVZDJDRAJL-UHFFFAOYSA-N 326.783 3.767 0 1 EHAF O=C(NCCc1ccccc1F)c1ccc(-c2cccs2)cn1 1857549881 JULKWESDBDZQFU-UHFFFAOYSA-N 326.396 3.922 0 1 EHAF O=C(O)c1cccc(-c2csc([C@@H](O)c3ccc(F)c(F)c3)n2)c1 61925553 JPPHSAGMACWHPL-HNNXBMFYSA-N 347.342 3.868 0 3 EHAF O=C(CCCCC(=O)Nc1ccccc1C(=O)O)Nc1ccccc1 6581259 PEGACRCTMLKJSI-UHFFFAOYSA-N 340.379 3.522 0 1 EHAF COc1cccc2c3c([nH]c12)C[C@@H]1C[C@@]3(c2cccc(O)c2)CCN1C 13755991 ZIOKSJYZYLYKRX-IVZQSRNASA-N 348.446 3.819 0 1 EHAF Cc1nc(C)c([C@@H](c2ccccc2Cl)N2CCN(C)CC2)s1 28254234 XQDQBWJOOVRNHD-MRXNPFEDSA-N 335.904 3.750 0 1 EHAF c1ccc2[nH]c(CSc3nnc(-c4ccncc4)s3)nc2c1 34058845 DZFNDOHXVAKTJK-UHFFFAOYSA-N 325.422 3.769 0 1 EHAF COc1cc2oc3c(c(=O)c2c(O)c1C)-c1ccccc1O[C@@H]3OC 34206526 SRHRAINFNPVRDF-IBGZPJMESA-N 340.331 3.520 0 1 EHAF CCN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCC1 40973402 RYMGUUFPMNAKMP-UHFFFAOYSA-N 330.394 3.545 0 1 EHAF Nc1ccc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2n1 43061408 ZKIHLNZEKLNXLL-UHFFFAOYSA-N 349.415 3.771 0 1 EHAF COCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2C)n1 82177692 XLZNQBGZSZDCNK-UHFFFAOYSA-N 338.411 3.782 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc(O)ccc3C[C@@H]21 100621239 HMVODFGCPIJQQR-XLIONFOSSA-N 332.403 3.595 0 1 EHAF COC(=O)C1=C(c2ccc(-c3nccs3)cc2)C[C@@H]2CC[C@@H]1O2 101501203 OBDQYTHBVATJAH-ZFWWWQNUSA-N 327.405 3.688 0 1 EHAF Clc1ccc(Cn2nc(-c3nnn[nH]3)c3ccccc32)c(Cl)c1 167730866 UIWBVUJFRDRMKF-UHFFFAOYSA-N 345.193 3.572 0 1 EHAF CC(=O)O[C@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)NCC[C@]4(C)[C@H]3CC[C@]12C 169368703 NRBYKRJQRQZVLV-XVYLQWLCSA-N 347.499 3.687 0 1 EHAF C[C@H]1C(=O)CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990178 JLOCOXJEIOMMGR-JTQLQIEISA-N 329.355 3.771 0 1 EHAF Clc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1 587040948 KDBDJXFYUSKEHX-UKRRQHHQSA-N 330.844 3.558 0 1 EHAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=N)N)cc2[nH]1 587070272 ROIZPSXWKVGAJT-SNVBAGLBSA-N 340.814 3.877 0 1 EHAF O=C(O)c1cc(F)cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587084823 UGGAFGYZGAPQSU-UHFFFAOYSA-N 331.734 3.529 0 1 EHAF CN(C)CCOc1ccc2nc(-c3cc(S)ccc3F)[nH]c2c1 587140958 KVVGRLWWCKHQIZ-UHFFFAOYSA-N 331.416 3.598 0 1 EHAF O=C1Nc2ccccc2[C@@]12CCc1nc3cccc4c3c(c1C2)CC4 587212281 ROEXZZCRFQGDEC-QFIPXVFZSA-N 326.399 3.712 0 1 EHAF COc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cn1 587229887 KXFVXNOUOHFQAE-UHFFFAOYSA-N 331.379 3.641 0 1 EHAF N[C@@H](Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1cccc2ccccc12 587258459 KMZYXIWJIZRWDP-JXFKEZNVSA-N 345.406 3.682 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn3cc(Cl)ccc3n1)O2 587381435 IVJLYKNUXABYEO-OAHLLOKOSA-N 327.771 3.585 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccnn1-c1ccccc1)[C@@H](C2)C3=O 587432090 MWOWARQWBSXUCB-KKSFZXQISA-N 346.386 3.544 0 1 EHAF CCOc1ccc(C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443866 QGAKBRGDZNQKPN-DYESRHJHSA-N 338.403 3.843 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cnn1CCF)CC2=O 587466123 LVDNPDIJUGARLJ-MRXNPFEDSA-N 332.375 3.526 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@H]1COc3ccccc3C1)CC2=O 587491049 MVFMGCYLZWUBNF-VLIAUNLRSA-N 338.403 3.930 0 1 EHAF 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LHHZLQASGVVOKD-UHFFFAOYSA-N 325.364 3.762 0 1 EHAF Cc1cnc(N2CCC[C@H]2C)nc1NCCCN(C)c1ccccc1 299873849 AKLDJFCLLCYDKP-QGZVFWFLSA-N 339.487 3.712 0 1 EHAF CS(=O)(=O)c1cccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 586926263 NFHYZKYBQHENNC-UHFFFAOYSA-N 340.326 3.652 0 1 EHAF Cc1cnn(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586986865 GHXOSOODQGNQJI-UHFFFAOYSA-N 341.370 3.705 0 1 EHAF Cc1nn(-c2cccc(-c3nc4ccnc(O)c4[nH]3)c2)c(C)c1Cl 587064598 DYOKDYBPLRVSHC-UHFFFAOYSA-N 339.786 3.786 0 1 EHAF Oc1c(F)cc(F)cc1-c1nc2cccc(Br)c2[nH]1 587134395 QZDODCNAFKRKEM-UHFFFAOYSA-N 325.112 3.976 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCCF)cc1)O2 587382925 PTLCCJICTDOLKR-LJQANCHMSA-N 329.371 3.806 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(CCc1ccccc1F)[C@@H](C2)C3=O 587426430 NNYXTJOOXLEHNW-MGPUTAFESA-N 326.367 3.973 0 1 EHAF C=CC(=O)NC(C)(C)C[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587471430 SSTIPWPZNWWNFJ-FQEVSTJZSA-N 345.439 3.540 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@@H](C2(C)C)[C@@]1(C)O 587491958 XUXFVBNOJQTQKE-CPBMKBPJSA-N 344.451 3.866 0 1 EHAF CSc1nccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587534394 YXLWUPBJKIUBEE-MRXNPFEDSA-N 326.421 3.784 0 1 EHAF C=Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587582980 SHPPGKXDCBGAFG-FXAWDEMLSA-N 348.358 3.701 0 1 EHAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Cl)cnc2[nH]1 587788149 XSMKFOAIJFPAMJ-UHFFFAOYSA-N 329.787 3.744 0 1 EHAF CCO[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587814494 ZWSIQJMPKASXOF-GTTSAUCSSA-N 342.252 3.907 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(O)CCCC2)N1 587822324 MXZRJEZMIKCDBF-BMIGLBTASA-N 342.252 3.643 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnsc2)N1 587858199 PFESZPQHYORKID-CPFSXVBKSA-N 327.222 3.668 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccns2)N1 587859436 WTABHLYXTYFLRZ-CLAHSXSESA-N 341.249 3.842 0 1 EHAF O=C(N[C@@H](CO)Cc1ccccc1)c1csc2ccc(Cl)cc12 621430390 TUOQFPNPGRYNTB-CQSZACIVSA-N 345.851 3.888 0 1 EHAF COc1cc2c(cc1OC)[C@@H](c1c(N)cc(F)cc1F)N(C)[C@H](C)C2 962643692 XSKRLVXIEIOVSK-DGIBIBHMSA-N 348.393 3.530 0 1 EHAF CN1C(=O)C[C@@H]2CN[C@](C)(CCc3ccccc3F)c3cccc1c32 963036585 UIUXDLCTBLCSPC-QVKFZJNVSA-N 338.426 3.727 0 1 EHAF COc1cc2c(cc1OC)[C@@H]1CC(=O)C[C@@H](c3ccccc3)N1CC2 1857558967 MXHIARMXHDFQBN-OALUTQOASA-N 337.419 3.707 0 1 EHAF CC[C@@H](C)C(=Cc1coc2nc(=N)[nH]c(N)c12)c1ccccc1OC 1857621633 GGNUJBNONVTLHE-LLVKDONJSA-N 338.411 3.813 0 1 EHAF CCCCCC[C@H](C)C=C(C)[C@H](O)[C@H]1CC(=CCC(=O)O)C(=O)O1 2356528940 NNWCGBORNRHSIQ-XCRHUMRWSA-N 338.444 3.617 0 1 EHAF CC(=O)O[C@H](C=Cc1ccccc1)C[C@H](O)CCc1ccc(O)cc1 2356599049 MAQHCBOMAHBYCF-NHCUHLMSSA-N 340.419 3.721 0 1 EHAF CCCCCC=CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C=C[C@@H]1CCCC(=O)O1 2356709380 AWRLHDHWBSHXSP-QTMHVTGLSA-N 336.472 3.523 0 1 EHAF Cc1ccc(Cc2nnc(C(=O)NCCC3=CCCCC3)o2)cc1 6822620 GOEUCNMZNMMOJO-UHFFFAOYSA-N 325.412 3.589 0 1 EHAF O=C1C[C@H]2CCOc3ccc(Cl)cc3C2=NN1c1ccccc1 103223635 RGBYGVGGUAACNL-GFCCVEGCSA-N 326.783 3.880 0 1 EHAF COc1ccc(CN2CCC(CCCC(=O)c3ncco3)CC2)cc1 29126625 JIZAOQYMDCCYJI-UHFFFAOYSA-N 342.439 3.948 0 1 EHAF O=c1c2c([nH]n1-c1nc3ccc(F)cc3s1)CCc1ccccc1-2 73219477 ACYOXNAWQOXPIB-UHFFFAOYSA-N 337.379 3.680 0 1 EHAF C[C@@H]1CC[C@]23OC(=O)[C@]2(C)CCC[C@]3(C)[C@]1(O)CCc1ccoc1 2356620745 DMXTZCAYOFLPFQ-CKMGUBGDSA-N 332.440 3.865 0 1 EHAF CC1(C)CCC[C@]2(C)[C@@H]1CC=C(C1OCCCO1)[C@@]21COC(=O)O1 2356744070 ADYKSSXMRVBPFN-ZMYBRWDISA-N 336.428 3.818 0 1 EHAF Cc1c(C(=O)c2ccccc2)c2ccccc2n1CCN1CCOCC1 34112642 ZCKPJVRNBFVZEC-UHFFFAOYSA-N 348.446 3.513 0 1 EHAF C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C(C)CC[C@@H]3OC(=O)[C@H](C)CC)C[C@@H]12 14452017 ODZCVPMDHQHNOP-DDIFRDQCSA-N 332.440 3.953 0 1 EHAF biogenic COCc1[nH]nc2c1[C@H](c1ccc(C)cc1)N(Cc1ccccc1)C2=O 199729183 CMUYQGOVJOQQEJ-FQEVSTJZSA-N 347.418 3.610 0 3 EHAF C[C@@H]1C[C@H]2OC(=O)[C@@H]3[C@@H](O)CC[C@H]([C@@]1(C)CCc1ccoc1)[C@]32C 238731098 FRKSRKZPPJMBNA-QQQVCQMJSA-N 332.440 3.577 0 1 EHAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587585629 FMEFOHKKNIYDON-FXAWDEMLSA-N 333.343 3.799 0 1 EHAF COc1ccc(C[C@H](C)[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440648 CCJQASOYKPWOND-VVUGWJFESA-N 338.403 3.699 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)c(F)cc(F)c1F)O2 587381069 FZXMXCJXLRMBCI-LBPRGKRZSA-N 325.261 3.840 0 1 EHAF C[C@H](O)CCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587835771 YAOIIPDYYKKIBI-GBIKHYSHSA-N 330.241 3.715 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCSCC2)N1 587858167 OVVQXSTXLOCUFQ-VIFPVBQESA-N 330.266 3.845 0 1 EHAF O=C(O)c1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1F 587084757 SKEQRLIJUDYHMJ-UHFFFAOYSA-N 326.114 3.769 0 1 EHAF CC1(C)O[C@@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351738 JJLQSGNBHLPVSI-IMFGXOCKSA-N 342.366 3.826 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccn3)s1)O2 587413018 LGGLIWHDJNVSSH-HNNXBMFYSA-N 337.404 3.802 0 1 EHAF CCOC(=O)CCCCC[C@]1(C(C)C)NCCc2c(C)ccnc21 963068871 LPROXMSCKHAWOJ-HXUWFJFHSA-N 332.488 3.901 0 1 EHAF CN1CCc2cnn(C)c2[C@@]1(CC(F)(F)F)c1c[nH]c2ccccc12 963955437 PZTDIKMJVDDGPV-QGZVFWFLSA-N 348.372 3.585 0 1 EHAF COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)CCO3)N(C)[C@@H](C)C2 962636811 NIPLOZPZMMDEAV-ZSEKCTLFSA-N 339.435 3.605 0 1 EHAF COc1ccc(CCNc2nccc(-c3c[nH]c4ncccc34)n2)cc1 1772627293 CMQDHVBSNXSEQY-UHFFFAOYSA-N 345.406 3.683 0 1 EHAF CC[C@H]1CN2CCc3c([nH]c4ccc(OC)cc34)[C@@H]2C[C@@H]1CCO 13459078 UWSNHYUOZVVHPS-NJSLBKSFSA-N 328.456 3.504 0 1 EHAF COc1cc(Cl)cc(OC[C@H]2CN(Cc3ccccc3)CCO2)c1 13579596 HFMBOAIOLQWSNZ-LJQANCHMSA-N 347.842 3.628 0 1 EHAF O=C(O)c1cc(=O)c2ccc(OCc3ccc4ccccc4n3)cc2o1 13821966 OEWOGUZQPCEFMV-UHFFFAOYSA-N 347.326 3.618 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CNC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169309904 UOHCSROFYMVISA-GVNFVFRUSA-N 347.499 3.687 0 1 EHAF COC(=O)c1ccc(-c2ccc(CC(=O)NCc3ccco3)cc2)cc1 169351981 UNBVTKBCAGFHPX-UHFFFAOYSA-N 349.386 3.592 0 1 EHAF Cc1cccc(-c2cn(Cc3ccc(-c4cnn(C)c4)cc3)nn2)c1 1857536176 UJNGCJHVITVOEU-UHFFFAOYSA-N 329.407 3.702 0 1 EHAF Cc1nn(CC2CCC2)c2ccc(N=c3[nH][nH]c4cccnc34)cc12 1857767806 XYKDESCFCVKMAD-UHFFFAOYSA-N 332.411 3.582 0 1 EHAF CC1(C)OC(=O)C(=C2C[C@H](c3ccccc3)c3ccccc32)C(=O)O1 1618614 XVEWMARHNVYCTF-MRXNPFEDSA-N 334.371 3.812 0 1 EHAF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC(C)C)C[C@]1(C)C=CC=C(C)[C@H]21 14452517 SDNILGGFZCMCHY-SNOHLBKASA-N 330.424 3.584 0 1 EHAF biogenic O=C1CCCCCCCCCCCCCCC(=O)O[C@H](CO)CO1 15261839 IYZZWBYZVBUCPI-QGZVFWFLSA-N 342.476 3.909 0 1 EHAF biogenic CC(C)NC[C@H](O)COc1ccc(CCSCC2CCC2)cc1 25967020 RMBHCLXFPKGGOX-SFHVURJKSA-N 337.529 3.500 0 1 EHAF COc1ccc([C@@H]2CC[C@@H](OCCCc3ccccn3)O2)cc1OC 29308574 XRIFQYHIEUXPPC-PXNSSMCTSA-N 343.423 3.926 0 1 EHAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@H]1N2 29551213 ZRWYMOGAPUKQLT-QUCCMNQESA-N 337.423 3.951 0 1 EHAF O=C(Nc1ccc2[nH]ncc2c1)c1ccc(CN2CCCCC2)s1 81245311 SNLFRBGYADBQJI-UHFFFAOYSA-N 340.452 3.863 0 1 EHAF CC(C)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 82192368 YAFZEGBASMVWBK-INIZCTEOSA-N 347.459 3.690 0 1 EHAF Cc1cn(CN2CCN(CCc3ccccc3)CC2)c2ccccc12 89455149 AEYSRYMQRKDECJ-UHFFFAOYSA-N 333.479 3.768 0 1 EHAF CCCCNC(=O)Oc1cccc(-c2sc(C)cc2C(N)=O)c1 95555056 WNPNSJSUDYLZKJ-UHFFFAOYSA-N 332.425 3.711 0 1 EHAF C[C@@H](Nc1nc(-c2csc(C(=O)O)c2)cnc1N)c1ccccc1 96284818 YFLYEBVFXCKBQS-SNVBAGLBSA-N 340.408 3.659 0 1 EHAF NC(=O)c1cccc(OCCCSc2nc3ccccc3s2)c1 96923074 JSVCABSUMMMWCD-UHFFFAOYSA-N 344.461 3.956 0 1 EHAF O=c1cc(O)c2ccc(OCc3cccc(Br)c3)cc2o1 103243543 YJTFZFPAMPOBKG-UHFFFAOYSA-N 347.164 3.840 0 1 EHAF O=c1[nH]c2cnc3ccccc3c2n1-c1cccc(C(F)(F)F)c1 115192412 CWAUHMNHHXTZRO-UHFFFAOYSA-N 329.281 3.886 0 1 EHAF CCN(CC)CCS[C@H](N=O)c1nc(Cc2ccccc2)no1 169713424 OHCDZUAEPDMQDQ-INIZCTEOSA-N 334.445 3.500 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1C/C(C)=C/CC/C(C)=C/[C@H](O)[C@@H]1[C@H](C)CO 238739202 ZZBPVABDPAAVGR-KTTIMTSMSA-N 336.472 3.546 0 1 EHAF FC1(F)Oc2cc3nc(-c4cncc(C(F)(F)F)c4)[nH]c3cc2O1 587115674 WCZYEOXNIUXSNQ-UHFFFAOYSA-N 343.211 3.965 0 1 EHAF COc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1F 587116575 HXJXSDISDBLYAU-UHFFFAOYSA-N 348.687 3.783 0 1 EHAF Cc1cc(Br)c2[nH]c(-c3cc(CO)ccc3F)nc2c1 587140853 SNYWGMKHAOXENS-UHFFFAOYSA-N 335.176 3.932 0 1 EHAF CC[C@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587155026 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COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)cc(F)c3[nH]1)C2 587247536 UADVSSGMFPVIAJ-SFHVURJKSA-N 345.805 3.707 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(O)ccc1N)CC2=O 587473240 RLWVEMXGBMIUAW-LJQANCHMSA-N 327.380 3.513 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)C)n(C)n1)CC2=O 587476242 QUTTUPANRSLUAQ-GOSISDBHSA-N 328.412 3.908 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](Cc1ccc(OC)cc1)CC2=O 587477047 HJWJPGWNVOBUQQ-HNNXBMFYSA-N 326.392 3.930 0 1 EHAF Cn1ncc(Cl)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587501584 PCSVTHQWAZQUSX-SFHVURJKSA-N 330.815 3.833 0 1 EHAF CC(C)OCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592351 GRTBHJOZEZDYRX-YLJYHZDGSA-N 342.391 3.928 0 1 EHAF O=C(O)Cc1c(-c2cc(Cl)ccc2O)[nH]c2c(C(=O)O)cccc12 587638060 IPROPZHOAITCRN-UHFFFAOYSA-N 345.738 3.519 0 1 EHAF COC1=C[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587806401 AHGDZGHKPMMMRM-PSLIRLAXSA-N 326.209 3.642 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@]2(C)CCCO2)N1 587834168 QSKCQOSDUJEADV-HPEXNQPKSA-N 342.252 3.907 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)OC 587863865 CGXIHWFBLKKXTP-JTQLQIEISA-N 342.317 3.643 0 1 EHAF O=C(CSc1ccccn1)n1nc2cc1Oc1ccc(F)cc1-2 587875859 KOYIDKIRVXRKOT-UHFFFAOYSA-N 327.340 3.622 0 1 EHAF CC[C@@]1(c2ccncc2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962620319 GAJXIJZWWIYCTF-JLTOFOAXSA-N 326.440 3.629 0 1 EHAF O=C(O)c1cc2cc(CCc3ccccc3C(=O)O)ccc2cc1O 1857542436 OQFPZNDFSPXWHD-UHFFFAOYSA-N 336.343 3.727 0 1 EHAF COc1ccc2c(N=c3cc(C)[nH][nH]3)nc(-c3ccccc3)nc2c1 1857766171 GOYMLVLLBBEUKR-UHFFFAOYSA-N 331.379 3.502 0 1 EHAF CC(C)=CC[C@H](O)C(C)=CC[C@]1(O)OC(=O)C(C)=C2CCC[C@@]21C 2356426132 QHIGIWVSGGPMOB-IHPCNDPISA-N 334.456 3.792 0 1 EHAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H]1CC(=O)O[C@@H]12 61946551 UHRRKAOLVBHHLU-MSLVTIERSA-N 330.468 3.852 0 3 EHAF CCOc1ccccc1[C@@H]1N(c2ccc(F)cc2)C(=O)[C@@H]2CCCN21 250505206 CXXFMYGNCYGUHB-HKUYNNGSSA-N 340.398 3.734 0 3 EHAF CO[C@@H](c1ccccc1)[C@H](C)[C@H](OC)[C@H](C)[C@@H](OC)[C@@H](C)C(C)=O 13783008 WPRYXYGHRKNLKD-ASQCYKGBSA-N 336.472 3.901 0 1 EHAF COc1ccc2c(-c3ccc(CO)o3)nn(Cc3ccccc3)c2c1 13864626 XTKHFAZZIYHRDV-UHFFFAOYSA-N 334.375 3.846 0 1 EHAF C[C@@H]1CN(Cc2c(-c3cccs3)[nH]c3ncccc23)C[C@@H](C)O1 19497546 NIBBOEBCXIUYSV-CHWSQXEVSA-N 327.453 3.901 0 1 EHAF Oc1cc(C2Cc3ccccc3C2)nc2nc(C3CCCCC3)nn12 23581023 CLLDQSSBIWUURA-UHFFFAOYSA-N 334.423 3.760 0 1 EHAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@@H](C)[C@@H]2C)cc1OC 26508487 PAGIVPCQHJQBLJ-KBPBESRZSA-N 338.407 3.727 0 1 EHAF CC1([C@@H]2Cc3cc(C[C@H]4SC(=O)NC4=O)ccc3O2)CCCCC1 26953182 ZLMTUWOFDPKKQN-CVEARBPZSA-N 345.464 3.855 0 1 EHAF c1ccc2c(NCCCN3CCCC3)nc(Nc3ccncc3)nc2c1 29203152 HRYCSSVUHKWJQC-UHFFFAOYSA-N 348.454 3.666 0 1 EHAF CN(C)C[C@H](O)[C@H](c1ccccc1)c1cccc(Br)c1 39245474 HXGZIOIAGCFPNS-DLBZAZTESA-N 334.257 3.504 0 1 EHAF CN(C)Cc1nc2c(sc3ccc(/C=C/C4CC4)cc32)c(=O)[nH]1 44715907 CPHAAKSWOQSYIW-AATRIKPKSA-N 325.437 3.623 0 1 EHAF in-vitro CC1(C)Oc2cc3c(cc2C[C@@H]1O)[C@@H]1Oc2cc(O)ccc2[C@H]1CC3 95486008 NCIDZOIOOOCWGG-UIAACRFSSA-N 338.403 3.630 0 1 EHAF biogenic,in-vitro Fc1cnc(-c2nn3c(-c4ccccc4Cl)nnc3s2)c(F)c1 96904283 LDQPCTZLESHUFT-UHFFFAOYSA-N 349.753 3.846 0 1 EHAF C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2c(c(O)cc3c2OCO3)C[C@H]1C 103237806 UFGNCOLKCKXERC-DDBGAENHSA-N 340.375 3.810 0 1 EHAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1NC1(C)CC1 205580771 LBUJNZMSBAMNNW-SNVBAGLBSA-N 347.422 3.702 0 1 EHAF FC(F)(F)c1cc(Br)cc2nc([C@H]3CCOC3)[nH]c12 586912942 YFPAMOSLALREHH-LURJTMIESA-N 335.123 3.848 0 1 EHAF O=[S@@](Cc1nc2cc(Cl)cc(Br)c2[nH]1)CC1CC1 586959164 LXPJBIJXNBXMAX-GOSISDBHSA-N 347.665 3.638 0 1 EHAF O=C(O)CSc1ncccc1-c1nc2c(F)cc(Cl)cc2[nH]1 586966347 BXUDGMXJTGOHOY-UHFFFAOYSA-N 337.763 3.594 0 1 EHAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccnc(O)c2[nH]1 586997146 VFGIXEGSLWNUCJ-UHFFFAOYSA-N 348.200 3.740 0 1 EHAF Cc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1F 587076012 NVHQYVFTHOMZGK-UHFFFAOYSA-N 327.750 3.912 0 1 EHAF O=C1CCc2cc3nc([C@@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc2N1 587079652 FOVLWLIUCHPVDV-INIZCTEOSA-N 339.782 3.777 0 1 EHAF CCOC(=O)[C@@H](N=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103793 JIFIMEKZEUMIMR-SFHVURJKSA-N 346.342 3.817 0 1 EHAF Fc1c(F)c(-c2nc3c(Cl)ncnc3[nH]2)c(F)c(F)c1S 587134524 MJIUTXPCMKLQFK-UHFFFAOYSA-N 334.685 3.518 0 1 EHAF Cc1cnc(Cl)c2nc(-c3ccc(F)c(Br)n3)[nH]c12 587154933 GTCUGZPJFOBMFM-UHFFFAOYSA-N 341.571 3.883 0 1 EHAF Cc1ccc(N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)cc1 587392804 DKPWWMLZBFQLJB-UHFFFAOYSA-N 336.435 3.890 0 1 EHAF COc1ccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587399910 NLILMHCJTRFOMN-INIZCTEOSA-N 325.408 3.861 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ncccc1C)[C@@H](C2)C3=O 587431689 QJPXYVSTPHUEKD-MGPUTAFESA-N 346.386 3.678 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(C)c1OC)[C@@H](C2)C3=O 587444687 TUGDVIHDQQXKAF-XOBRGWDASA-N 340.375 3.510 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cnn1CCF)CC2=O 587466122 LVDNPDIJUGARLJ-INIZCTEOSA-N 332.375 3.526 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](COc1cccc(F)c1)CC2=O 587466726 MLALUBZBBKJWMD-AWEZNQCLSA-N 330.355 3.897 0 1 EHAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1O 587587491 NAMICUQBFVEWRA-APWZRJJASA-N 349.342 3.504 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nccs1 587617761 KVMLENQHBICIQH-BBRMVZONSA-N 325.345 3.552 0 1 EHAF Cc1cnccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587770531 AKSDECPJAVFKER-MGPLVRAMSA-N 335.220 3.915 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccns2)N1 587859437 WTABHLYXTYFLRZ-RMLUDKJBSA-N 341.249 3.842 0 1 EHAF COc1cc2c(cc1O)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C 685935760 CXZSMUPWCVAGRO-YPMLDQLKSA-N 346.379 3.664 0 1 EHAF biogenic,in-vitro Cc1cc2c(cc1F)[C@]1(NCC2)c2ccccc2[C@H]2CN(C)CC[C@@H]21 962087109 CTHAXAJCKDKHTM-LZNRXBQRSA-N 336.454 3.572 0 1 EHAF COCCCc1ccc(C[C@@H]2C=C(C)[C@@H](O)C[C@H]2C(C)(C)O)cc1 2356355327 SZUDDSYQSZTMMJ-ZCNNSNEGSA-N 332.484 3.522 0 1 EHAF CCOc1ccc2c(c1)c(CCNC(C)=O)c1n2Cc2ccccc2-1 13494147 LSWRLJBFCSSIGO-UHFFFAOYSA-N 334.419 3.747 0 1 EHAF C[C@@H](Oc1ccc(Oc2cnc3c(Cl)cccc3n2)cc1)C(=O)O 29471381 HRYZPOKQOWSJHI-SNVBAGLBSA-N 344.754 3.927 0 1 EHAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)O)CC[C@H]4[C@@H]3CC[C@@H]12 39137116 SMKOQYDIZVBLMS-ALHYADCGSA-N 333.472 3.551 0 1 EHAF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3C)C2)c(OC)c1 43079247 HQNYFDPVQJDOFC-LJQANCHMSA-N 338.407 3.710 0 1 EHAF OC1([C@@H](CN2CCNCC2)c2csc3ccccc23)CCCCC1 49089909 DRAQRLXEPIYYIE-SFHVURJKSA-N 344.524 3.585 0 1 EHAF Cn1cc(-c2cnc(N)c(-c3nc4ccc(Cl)cc4o3)c2)cn1 84687342 DVUWABCQLLNADO-UHFFFAOYSA-N 325.759 3.526 0 1 EHAF COc1cc(/C=C/c2cc(OC)c(F)c(OC)c2)cc(OC)c1O 84708646 ZOQBWHAYJWRGCN-AATRIKPKSA-N 334.343 3.736 0 1 EHAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3ccc(O)cc3CC[C@H]21 100620810 DVSRNXVDLALNTQ-PZJWPPBQSA-N 346.430 3.985 0 1 EHAF O=C1NCCOc2ccc(OCc3c(Cl)cccc3Cl)cc21 103280345 KRMOXGBZCZQFFW-UHFFFAOYSA-N 338.190 3.695 0 1 EHAF Cc1ccn2nc(SCc3nc(-c4ccccc4)cn3C)nc2c1 113422619 MJPRUIBPDSAIJK-UHFFFAOYSA-N 335.436 3.731 0 1 EHAF CC(C)[C@@](O)(c1ccc2cc(-c3cnco3)ccc2c1)c1c[nH]nn1 139871826 FPFLLZAGPFEDBQ-LJQANCHMSA-N 334.379 3.505 0 1 EHAF OCC1=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(Cc2ccccc2)C1 169343083 PQELNXCRHMZBRL-TZIWHRDSSA-N 330.431 3.611 0 1 EHAF COc1cncc(-c2cccc(-c3nc4c(C(N)=O)cccc4o3)c2)c1 205893467 XFTXBQWQPGKVAU-UHFFFAOYSA-N 345.358 3.664 0 1 EHAF Cc1nc(Br)sc1-c1nc2c(Cl)ccnc2[nH]1 587010618 DZNHCFMFXCUCGF-UHFFFAOYSA-N 329.610 3.806 0 1 EHAF COc1cc(-c2nc3ccc(Cl)nc3[nH]2)nn1-c1ccccc1F 587156514 PHFSAMOGKNFSHI-UHFFFAOYSA-N 343.749 3.612 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cccnc1OC(C)C)[C@@H](C2)C3=O 587436074 NACULNBATWPMRS-YWZLYKJASA-N 339.391 3.540 0 1 EHAF CCCCN1CCC2(CC1)CC(=O)c1ccc(O)c(CCC)c1O2 587478531 SKSSVHJCAJRUPD-UHFFFAOYSA-N 331.456 3.945 0 1 EHAF C[C@@H](C(=O)O)n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512335 MWQVOCLGDRKPHX-SGTLLEGYSA-N 339.391 3.719 0 1 EHAF Nc1ncnc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 587951109 WNGNYSUXANCOEF-ZHACJKMWSA-N 329.363 3.898 0 1 EHAF CCO[C@@H]1C[C@@]2(NCCc3cc(C)c(F)cc32)[C@H]1Oc1ccccc1 962148260 SKBDVBUOAJATLN-HKBOAZHASA-N 341.426 3.732 0 1 EHAF Cc1ccnc2c1CCN[C@@H]2[C@@H](CC1CCC1)NC(=O)OC(C)(C)C 963073676 XPHZULLBJBDQGK-SJLPKXTDSA-N 345.487 3.660 0 1 EHAF CC[C@H]1C(=O)C[C@@H]2[C@@H]3CC=C4C[C@@H](NC)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356457059 BKSZWYDLWWBRIR-PRCZZKRQSA-N 345.527 3.713 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@@H](C)[C@@]12C 2356672901 BEWHLKZJDNKMGM-XMWBKDODSA-N 346.423 3.748 0 1 EHAF COc1cc(O)ccc1C1=CC2=C(OC1)[C@@H]1C=CC(C)(C)O[C@@H]1C=C2 2356713944 WYTRYIAHWURYTM-QZTJIDSGSA-N 338.403 3.988 0 1 EHAF CCN(CC)CC(=O)Nc1sc(C)cc1C(=O)c1ccccc1 413273 BXCUQDDUIKLHTQ-UHFFFAOYSA-N 330.453 3.568 0 3 EHAF O=C(CCC(F)(F)F)N1CCC(CO)(CCc2ccccc2)CC1 12507550 BAGWMYJMIRPUET-UHFFFAOYSA-N 343.389 3.563 0 3 EHAF CCCCc1nc2cc(C(=O)N3CCCC[C@H]3CCO)ccc2o1 14977699 XKTZUHDHFYWVGT-HNNXBMFYSA-N 330.428 3.548 0 3 EHAF CC(C)(C)c1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1 36381460 LWXJAEVJAMQEMW-UHFFFAOYSA-N 343.496 3.809 0 3 EHAF COc1ccc(C[C@@H](N)c2csc(Nc3ccccn3)n2)cc1 61927638 IPFLCOFWMBFIDC-CQSZACIVSA-N 326.425 3.533 0 3 EHAF O=C1NC(=O)[C@@H](Cc2ccc3c(c2)C[C@@H](CC2CCCCC2)O3)S1 26946906 FHIFNHSHFZBCSX-NVXWUHKLSA-N 345.464 3.855 0 1 EHAF Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C 27319374 WMCLJWPYJWRZJT-UHFFFAOYSA-N 339.414 3.972 0 1 EHAF CSc1cc2n(c1C(=O)c1ccc(C3CC3)cc1)CC[C@@H]2C(=O)O 28225785 AOZFSANDLHHWLJ-AWEZNQCLSA-N 341.432 3.890 0 1 EHAF CCc1c(C)nc(-c2ccccc2O)n(CCc2ccccc2)c1=O 28521340 OFUPWEPCVQCSOA-UHFFFAOYSA-N 334.419 3.729 0 1 EHAF COc1ccc2c(c1)CN([P@@](=O)(OC)c1ccccc1)CCS2 35278246 ABUFHFOAYXAOQU-QFIPXVFZSA-N 349.392 3.768 0 1 EHAF O=S(=O)(c1c(Cl)cccc1Cl)n1ccc2ncccc21 43019758 VDQPLXKGVSLFDM-UHFFFAOYSA-N 327.192 3.580 0 1 EHAF Clc1ccc(C2=NN3C(c4ccccc4)=NN[C@@H]3S2)c(Cl)c1 64548775 JHTZDAWNOVZUHX-HNNXBMFYSA-N 349.246 3.952 0 1 EHAF CC(C)(Oc1ccccc1)C(=O)N1CC[C@H](c2c[nH]c3ncccc23)C1 84690859 MKRAFJXFJNUBGN-HNNXBMFYSA-N 349.434 3.736 0 1 EHAF NC(=O)c1ccccc1Nc1cccc(C(=O)Nc2ccccc2)c1 95576660 DHNPSRBEINOEMS-UHFFFAOYSA-N 331.375 3.781 0 1 EHAF COc1cc(-c2ccc(C(=N)N)cc2)cc(-c2ccc(C(=N)N)cc2)c1 96908773 NSWNEACGDGGFMN-UHFFFAOYSA-N 344.418 3.597 0 1 EHAF COc1cccc(/C(O)=C/C2=NCCc3cc(OC)c(OC)cc32)c1 101880040 ACEMUAULPBZDSZ-PDGQHHTCSA-N 339.391 3.657 0 1 EHAF O=C1[C@H]([C@H](O)c2cnc3ccccc3c2)CCCN1Cc1ccccc1 103295691 YKUXXJIJRLTFPD-PZJWPPBQSA-N 346.430 3.707 0 1 EHAF COC(=O)/C=C(/C)CC[C@@H]1C(=O)CC[C@@H]2C(C)(C)C(=O)CC[C@@]12C 238739237 RLSAQUYQTNBTEO-XKKOJLMKSA-N 334.456 3.877 0 1 EHAF O=c1ccc2cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)ccc2o1 586918794 VAIINLRLUCUJIJ-UHFFFAOYSA-N 334.228 3.893 0 1 EHAF CCn1cc(Br)c(Cc2nc3cc(C)c(C)cc3[nH]2)n1 586999592 BVGUMNWQHDUJLC-UHFFFAOYSA-N 333.233 3.749 0 1 EHAF Fc1c(Br)ccc2nc(C(F)(F)c3ccccn3)[nH]c12 587089644 FPKUDJRCKSWMAH-UHFFFAOYSA-N 342.118 4.000 0 1 EHAF Cc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1F 587155186 IJKULRNOZJOJNA-SFHVURJKSA-N 327.334 3.941 0 1 EHAF Cc1ccnc2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 587168440 WIEMQYUNTNWRQP-AWEZNQCLSA-N 339.374 3.774 0 1 EHAF O=c1ccc(C(F)(F)F)cn1Cc1cc2c3c(cccc3n1)CC2 587210160 HTDBYKRJMNOAAN-UHFFFAOYSA-N 330.309 3.562 0 1 EHAF COC[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352315 WWXURHQEXCBQBE-UOXRKKOCSA-N 344.382 3.931 0 1 EHAF CCn1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc2ccccc21 587431269 JMCTUHVZFZMCKC-BFUOFWGJSA-N 334.375 3.554 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1cnn3C)CC2=O 587475236 KQMSECQBFGVLTG-LJQANCHMSA-N 336.391 3.938 0 1 EHAF O=C1C[C@](CO)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587501945 HCYQBICNOILSKK-FQEVSTJZSA-N 326.367 3.558 0 1 EHAF O=C1C[C@H](Cn2c(=O)oc3ccccc32)Oc2c1ccc1c2CCCC1 587519197 WPMKGAMUHVBTBD-CQSZACIVSA-N 349.386 3.507 0 1 EHAF CCO[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599302 DYOCRDAIANGRCM-HLIPFELVSA-N 340.375 3.682 0 1 EHAF COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1c(F)cccc1F 587634055 QFKSKDADJPUQEC-UHFFFAOYSA-N 333.265 3.603 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccccn2)N1 587774278 VIRHZYCRJZVFQO-GTNSWQLSSA-N 349.247 3.975 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@]2(C)CCCO2)N1 587835096 UXDGKFSIEMUCNS-HPEXNQPKSA-N 342.252 3.907 0 1 EHAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NC 587859790 LURAZVUYBDGWNW-UHFFFAOYSA-N 330.240 3.608 0 1 EHAF COc1ccc(-c2ccc(-c3nc4ncc[nH]c-4n3)cc2)cc1OC 587928516 IBBJYFNASZVZSD-UHFFFAOYSA-N 332.363 3.656 0 1 EHAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587963722 RBOGCMIMVBXPDL-YUMQZZPRSA-N 347.287 3.770 0 1 EHAF COc1ccc2c(c1OC)[C@@H](c1cc3ncccc3o1)N(C)[C@@H](C)C2 962631166 QNQOMDJGFMEAJR-HXPMCKFVSA-N 338.407 3.811 0 1 EHAF Fc1ccc(-c2cccc([C@@H]3NCCc4nc5ccccn5c43)n2)cc1 962987397 LDPYWJYGUKJZFS-FQEVSTJZSA-N 344.393 3.771 0 1 EHAF Cc1ccc(NC(=S)N2CCN(C(=O)CC(C)(C)C)C[C@@H]2C)cc1 1857563866 MDCXPKIGWRDKRP-HNNXBMFYSA-N 347.528 3.661 0 1 EHAF CC(C)[C@@H](CC1CCCC1)NC(=O)[C@@]1(C)Cc2ccc(O)cc2CN1 1857749930 LNYFQKHBXHKWTR-TZIWHRDSSA-N 344.499 3.518 0 1 EHAF CC1=C(C(=O)OC(C)C)[C@H](c2cc[nH]c2)N2C(=N1)Nc1ccccc12 1911584481 YETOPEKACCIBNV-KRWDZBQOSA-N 336.395 3.583 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccc(C(F)(F)F)cc1 2356301639 OCZUFEDAOYLRNU-HLLBOEOZSA-N 326.406 3.915 0 1 EHAF O=C1[C@H]2C[C@@H](CN2C2CCC2)Oc2ccccc2N1Cc1ccccc1 2356350109 VEQNBNZYGHRHIA-AZUAARDMSA-N 348.446 3.608 0 1 EHAF COC(=O)[C@@]1(C)c2ccccc2[C@@]2(C)CCC[C@@](C)(C(=O)OC)[C@]12C 2356568640 NXHWSMFFHROORB-PLACYPQZSA-N 344.451 3.758 0 1 EHAF CCc1cccc(C)c1NC(=O)C[C@H]1Oc2ccc(C)cc2NC1=O 6805761 UBGPJFDPLBTMRI-QGZVFWFLSA-N 338.407 3.594 0 3 EHAF COC(=O)c1cc(C)ccc1C[C@H](Cc1ccccc1C)C(=O)OC 6484979 CDVMJIHYSQQTGH-SFHVURJKSA-N 340.419 3.664 0 1 EHAF O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2cncnc12 13608739 FGDCXKZMHZHEJT-UHFFFAOYSA-N 346.312 3.970 0 1 EHAF COc1ccc([C@H]2CCc3c(OC)cc(OC)cc3O2)c(OC)c1 14727907 PMRQWIMUVQIZNP-MRXNPFEDSA-N 330.380 3.787 0 1 EHAF biogenic O=C(CCCOCCc1ccccc1)c1ncc(-c2ccccn2)o1 14980041 WNHIDPJHYZFKBE-UHFFFAOYSA-N 336.391 3.959 0 1 EHAF CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 22937728 BOFPIRRSGDHUCZ-AZUAARDMSA-N 328.406 3.789 0 1 EHAF N[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 25979427 SQXXZXLAWLJQLV-HSZRJFAPSA-N 349.843 3.761 0 1 EHAF Cc1cc2c(s1)c1cnn(Cc3cccc(Cl)c3)c(=O)c1n2C 36380368 PTZPGPGVZDGCPX-UHFFFAOYSA-N 343.839 3.960 0 1 EHAF COc1ccc(Cc2cc3c(OC)cc(C)cc3oc2=O)c(OC)c1 40894038 SOMLEGUAILPIRQ-UHFFFAOYSA-N 340.375 3.718 0 1 EHAF COc1cc2c(c(O)c1CC=C(C)C)C(=O)[C@@H]1C=CC=C(O)[C@@H]1N2 95909930 YGENZUHDMDYFEM-SJKOYZFVSA-N 327.380 3.514 0 1 EHAF biogenic,in-vitro COc1cc2ncnc(Nc3ccc(C)cc3)c2c(OC)c1OC 96916405 TXZATEBNIPSDBB-UHFFFAOYSA-N 325.368 3.708 0 1 EHAF CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccco1 103266130 DEHIOLPRTVRQRQ-UHFFFAOYSA-N 326.440 3.654 0 1 EHAF OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(OC(F)F)cc2)CCC1 103538690 OXKASAMFVAPJAE-AWEZNQCLSA-N 332.310 3.551 0 1 EHAF O=C(Nc1cnc(Cc2ccccc2)s1)c1n[nH]c2ccccc12 169347446 SKWPCSIAOSHOSL-UHFFFAOYSA-N 334.404 3.863 0 1 EHAF COc1oc2cccc([C@H](C)OC(C)=O)c2c(=O)c1CC=C(C)C 238776627 HLAFQWTXYYSEBD-LBPRGKRZSA-N 330.380 3.934 0 1 EHAF COc1cc2nc(-c3oc4c(c3C)[C@H](O)CCC4)[nH]c2cc1OC 586905580 URISWRHSUCKTKL-GFCCVEGCSA-N 328.368 3.518 0 1 EHAF O=[S@@](Cc1nc2cc(Br)cc(Cl)c2[nH]1)CC1CC1 586960623 WXHSTLPNLXQMPB-GOSISDBHSA-N 347.665 3.638 0 1 EHAF FC(F)(F)c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cn1 587015759 ATNIVZZXMUHOFN-JTQLQIEISA-N 340.330 3.952 0 1 EHAF N[C@@H](N=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587036835 NWGWLUVYORQHGN-KBPBESRZSA-N 330.438 3.727 0 1 EHAF COC(=O)CCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587106113 IGYXCCSOKKBNJF-UHFFFAOYSA-N 331.371 3.942 0 1 EHAF Fc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)O2 587173599 GBKKNYWYPYTIQP-QGZVFWFLSA-N 326.327 3.540 0 1 EHAF O=C(O)Cc1c(-c2cc(F)ccc2F)nc2cccc3c2c1CC3 587210837 WZHPEXXORPNETJ-UHFFFAOYSA-N 325.314 3.906 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Cl)=COc2cc(O)ccc21 587380087 AFLCRICRLWOABA-GOSISDBHSA-N 343.766 3.616 0 1 EHAF COCCCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587397961 CHHFEJOYJPCYPC-IBGZPJMESA-N 341.407 3.699 0 1 EHAF CCCc1c(O)ccc2c1O[C@](/C=C\OCC)(C(F)F)CC2=O 587464813 AJGAMYYKXBZRKZ-JJEJIETFSA-N 326.339 3.864 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCN(C)C)N1 587743391 WNAUAROZRTZQSB-BZNIZROVSA-N 343.284 3.679 0 1 EHAF C[C@@H](O)CCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587835772 YAOIIPDYYKKIBI-GIPNMCIBSA-N 330.241 3.715 0 1 EHAF COc1ccccc1NC(=O)Nc1nc([C@H](N)CC(C)C)cs1 61929116 JGRCRBCZNOUIRP-LLVKDONJSA-N 334.445 3.842 0 3 EHAF CCCCCC(=O)N[C@H]1CCCCN(Cc2ccc(C)cc2)C1=O 200052152 LPNOFQILIVPYFL-SFHVURJKSA-N 330.472 3.573 0 3 EHAF C[C@H](C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1 13493473 YMVKVHVILBKUBG-KRWDZBQOSA-N 334.463 3.917 0 1 EHAF Cc1ccc(S(=O)(=O)N2CCC3(CCc4ccccc43)CC2)cc1 13728185 LOBYPNWGIZCTTC-UHFFFAOYSA-N 341.476 3.664 0 1 EHAF Cc1ccccc1C1=[N+]([O-])c2cc(-c3cnc(N)nc3)ccc2[C@H]1C 28383862 FXWWLQJKBXFHQY-CYBMUJFWSA-N 330.391 3.782 0 1 EHAF Oc1ccc2c(c1)CCN(C(=S)NCCc1ccc(Cl)cc1)C2 29132020 LUNOQCSVISQVIM-UHFFFAOYSA-N 346.883 3.521 0 1 EHAF CC(=O)[C@@H]1[C@H](O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 36371017 FGDFFHLIMDMCJI-KPXVZXTGSA-N 334.500 3.566 0 1 EHAF endogenous,in-man COC(=O)C/C=C/[C@H](C)[C@H](Cc1ccccc1Br)OC 36381661 OEXFZJIMWVCZMM-MFTITKQISA-N 341.245 3.762 0 1 EHAF Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(C2CCCCC2)n1 43199897 GQZOLEYJVGWCGW-UHFFFAOYSA-N 326.379 3.987 0 1 EHAF Cn1c(-c2cccc(F)c2)nc2c(NCc3ccccc3)ncnc21 58603436 BOIGWGSHPRWFFD-UHFFFAOYSA-N 333.370 3.782 0 1 EHAF O=C(Cn1nc(-c2cccc(F)c2)c2ccccc21)N1CCCCC1 87613152 ZMVHXPMADDPKFR-UHFFFAOYSA-N 337.398 3.855 0 1 EHAF Oc1cccc([C@H]2NC(=S)Nc3ccc(Br)cc32)c1 89455601 BIICMNKMDDYVPY-CYBMUJFWSA-N 335.226 3.544 0 1 EHAF COc1cccc(-c2cc(-c3ccc(-n4ccnc4)cc3)nc(N)n2)c1 98085474 JXSKGHZELRNZQD-UHFFFAOYSA-N 343.390 3.587 0 1 EHAF CCCN1CC(C)(C)OC(=O)[C@@H]1CC(=O)Nc1ccc(C(C)C)cc1 117778074 ALRJVORYPKYAFO-KRWDZBQOSA-N 346.471 3.555 0 1 EHAF CCCNC(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144799796 YIOCLIKKHQHVTA-QGZVFWFLSA-N 335.325 3.605 0 1 EHAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)N[C@@H](c1ccccc1)C2 145626680 JFNXRABTLWJEOU-CYBMUJFWSA-N 341.461 3.887 0 1 EHAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1ccc(F)cc1 167867867 IIXDBWWKCZDDKW-HNNXBMFYSA-N 329.371 3.707 0 1 EHAF O=NC=C1C=CN(CC(=O)Nc2nc(-c3ccccc3)cs2)C=C1 473086912 IPAIOMMFXOWWLD-UHFFFAOYSA-N 338.392 3.742 0 1 EHAF CC(C)Oc1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586924519 RJBGALJAHFOJHK-ZHACJKMWSA-N 342.420 3.795 0 1 EHAF CC(C)(SCc1nc2cccc(OC(F)(F)F)c2[nH]1)C(=O)O 586960144 STKWERICVUWTMH-UHFFFAOYSA-N 334.319 3.558 0 1 EHAF COc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587042622 UOHNTSLIPIBRQI-DLBZAZTESA-N 325.437 3.518 0 1 EHAF N[C@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@H]1c1ccccc1F 587154292 CYOVDHZGEMZEHK-ZKANADHPSA-N 337.732 3.975 0 1 EHAF Nc1ccc2oc(-c3nc4cc(Br)cnc4[nH]3)cc2c1 587251290 BDWFDQKZWUPNHP-UHFFFAOYSA-N 329.157 3.716 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)N(Cc3ccccc3)C1)O2 587393392 HWXYNAKJCDEESS-BTYIYWSLSA-N 336.435 3.576 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3noc(C)n3)c1)O2 587396185 XKPSJCOPGBAMAT-QGZVFWFLSA-N 335.363 3.642 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1nc4ccc(F)cc4s1)[C@@H](C2)C3=O 587428676 QADSLNAALONILM-APPDUMDISA-N 341.363 3.933 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(cnn3C)c1)CC2=O 587475448 MBGMSMRDADMBEG-IBGZPJMESA-N 336.391 3.938 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](COC(C)=O)(C(C)(C)C)CC2=O 587481545 NGACZAWJHCTRBN-IBGZPJMESA-N 334.412 3.658 0 1 EHAF CC(C)OC1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587602216 XHVRHDQOIUWIII-RNHGABITSA-N 340.375 3.680 0 1 EHAF CCSCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615892 ZQZYHLJPIUYTBQ-GOEBONIOSA-N 330.405 3.866 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(OC(F)(F)F)cc1 587651557 MIZVOOILWDMIJR-UHFFFAOYSA-N 340.688 3.938 0 1 EHAF Nc1ncnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 587784300 PMACEXVDLWXRFB-FLIBITNWSA-N 343.390 3.685 0 1 EHAF Cc1c([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)oc2ccc(F)cc12 962908220 UNUGUBZMLYVKGU-YOEHRIQHSA-N 343.329 3.708 0 1 EHAF C[C@@H](NC(=O)N1C(=O)C[C@@H]1Sc1ccccc1F)c1ccccc1 1857540452 KMQFJQNAKXNSSS-PXAZEXFGSA-N 344.411 3.947 0 1 EHAF COc1ccccc1C(=Cc1coc2nc(=N)[nH]c(N)c12)CC(C)C 1857621608 GSEWOBPWXZKJLQ-UHFFFAOYSA-N 338.411 3.813 0 1 EHAF CC(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3CC=CC(=O)O3)[C@H]21 2356417264 WIPNMFLFZURMNZ-LHYBGFNBSA-N 344.451 3.975 0 1 EHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@@](C)(O)CCC[C@]12C 2356593080 WNPXLRJLRYVJFB-UVBQOVKKSA-N 336.472 3.765 0 1 EHAF COc1cc(O)ccc1C1=CC2=C(OC1)[C@H]1C=CC(C)(C)O[C@H]1C=C2 2356713945 WYTRYIAHWURYTM-ROUUACIJSA-N 338.403 3.988 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1C(C)=CC[C@H]2[C@@]1(C)C[C@H](O)C[C@@]2(C)CO 2356727475 OZALBTCYJOTRKW-QKMNUUQDSA-N 336.472 3.540 0 1 EHAF COc1ccc(Br)cc1Cc1nc(C)cc(Cl)n1 186945 QXDACHNUVKYJHA-UHFFFAOYSA-N 327.609 3.800 0 1 EHAF C[C@@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCCCCC1 2356303260 PBKPRYQZQSGISI-GFCCVEGCSA-N 332.375 3.550 0 1 EHAF C[C@H](CO)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@@]4(C)[C@@H]3CC[C@@]12C 27887316 VQISOTOPDCGBAH-KGRLHAKYSA-N 349.515 3.924 0 1 EHAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC(=O)[C@]2(C)O 2356536721 QYIZGTJBQCOHKV-GDQOGGTGSA-N 334.500 3.710 0 1 EHAF CC(C)[C@H]1CC[C@@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356618787 IESNCWBJLXVPNA-XXQORPITSA-N 348.527 3.812 0 1 EHAF CNC1=Nc2ncccc2C(c2ccccc2)=N[C@H]1c1cccs1 35876044 KRBWMMUQSSQAQM-KRWDZBQOSA-N 332.432 3.985 0 1 EHAF C=CC1=C(C(=O)NC2CCCCC2)[C@@H](c2ccc(OC)cc2)OC1 73222222 ISMIFYQJROBPRS-LJQANCHMSA-N 327.424 3.698 0 1 EHAF CCCCOC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1 40845386 YYWGDJIEQNZXDR-UHFFFAOYSA-N 344.440 3.729 0 1 EHAF COc1cc2c(cc1NC#N)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 49112838 CIEFRUPOKQYNSY-BKRJIHRRSA-N 326.440 3.805 0 1 EHAF CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1[C@H]1C[C@@H]1c1ccccc1Cl 145091938 PEGQJYHCRKPIGC-NWGLXNPWSA-N 346.902 3.776 0 1 EHAF in-vivo Cc1cc(-c2cc(=O)[nH]c(NCc3cccc4ccccc34)n2)ccn1 95555348 AMPOIPUWOSOMBW-UHFFFAOYSA-N 342.402 3.906 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Cl)cn1C 587871238 RBAYMERVRFOWHL-UHFFFAOYSA-N 347.777 3.768 0 1 EHAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(CCO)cc3[nH]2)s1 587014629 NYZRKUYDEQNXPG-LLVKDONJSA-N 331.441 3.627 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cnn(C)c3)cc1)O2 587391219 LOYXRKMODWJKHE-LJQANCHMSA-N 333.391 3.684 0 1 EHAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(F)c(F)c2[nH]1 587040326 NBCAPAMUXVJPRK-JTQLQIEISA-N 341.383 3.824 0 1 EHAF CCCCOc1cc2nc([C@@H]3O[C@H]3C)[nH]c2cc1Br 586918250 KTJGPEWEHGKXOB-ISVAXAHUSA-N 325.206 3.964 0 1 EHAF CN(C)CCOc1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 587043120 OOOVQYSETPSGEB-GOSISDBHSA-N 339.464 3.893 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1COc3ccccc3C1)CC2=O 587491042 MVFMGCYLZWUBNF-VBKZILBWSA-N 338.403 3.930 0 1 EHAF COc1cccc([C@H](C)Cc2nc3cc(OC)c(OC)cc3[nH]2)c1 587930092 GTKNUSVEKOWXGI-GFCCVEGCSA-N 326.396 3.935 0 1 EHAF O=C(Nc1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O 587651103 COPQDMRMDFCTNC-UHFFFAOYSA-N 334.162 3.784 0 1 EHAF Cc1oc(-c2ccsc2)nc1Cc1nc2cnc(Cl)[nH]c-2n1 587026950 KTRGXXPIFSJFPC-UHFFFAOYSA-N 331.788 3.574 0 1 EHAF C[C@@]1([C@@]2(C)CCCO2)c2cccc(F)c2CCN1[C@H]1CCSC1 962704722 LNXHPPDDAQYACF-KYNGSXCRSA-N 335.488 3.974 0 1 EHAF COc1ccc(OC)c2c1CCC[C@@]21NCCc2cc(C)c(F)cc21 962297668 KTABKXGOIHCCPK-NRFANRHFSA-N 341.426 3.877 0 1 EHAF Cc1cc(Cl)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12 1772578876 DOCUCGDRKWVQJB-UHFFFAOYSA-N 332.831 3.772 0 1 EHAF CN(C)C(=O)Cn1ccc2ncc(-c3ccc(C(F)(F)F)cc3)cc21 1857562127 YSCVIQRLEWNJPX-UHFFFAOYSA-N 347.340 3.810 0 1 EHAF CC(=O)c1cccc(-c2cnc3cnc(-c4ccc(CO)cc4)cn23)c1 1857597420 KUSVSCMVFAGKDE-UHFFFAOYSA-N 343.386 3.758 0 1 EHAF COc1ccc(-c2cc(CN3CCOCC3)c(C)n2C(C)C)cc1 1857767612 GUTVCENEOWQTAV-UHFFFAOYSA-N 328.456 3.885 0 1 EHAF CC1=C(C)C[C@@H](C(=O)NCCCCc2ccccc2)[C@H](C(=O)O)C1 3634570 FNCBFWRRGZNBOW-QZTJIDSGSA-N 329.440 3.573 0 1 EHAF Cc1nc(N2CCCC[C@H]2CCO)c2[nH]c(-c3ccccc3)cc2n1 13835008 SCUJDTWWAAGNNN-INIZCTEOSA-N 336.439 3.675 0 1 EHAF COc1cc([C@@H]2Oc3c(OC)cc(CC(C)=O)cc3[C@H]2C)ccc1O 14584499 JSZPLRAHDGBRIJ-CWTRNNRKSA-N 342.391 3.778 0 1 EHAF biogenic NCCCOc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12 26578718 DYMHXRJKJHTOKQ-UHFFFAOYSA-N 328.799 3.576 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1[S@]2=O 28642819 MIMHZFDDUBVDSD-HCXXQOJKSA-N 347.263 3.550 0 1 EHAF CC[C@@H](C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)cc2C)c1=O 49053169 VCBLHTNHIMVNRV-INIZCTEOSA-N 342.443 3.677 0 1 EHAF CO[C@@H]1CC=C2N(c3ccc(C)cc3)C(=O)C[C@]2(c2ccccc2)O1 64237818 MGMOHSOVTHKQEE-LEWJYISDSA-N 335.403 3.904 0 1 EHAF CC(C)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(F)c2)cs1 82192369 SSICZGHXTNCWID-INIZCTEOSA-N 347.459 3.690 0 1 EHAF CCOC(=O)c1ncn2c1CN=C(c1ccc(C)cc1)c1ccccc1-2 95555649 WVKNAMPPTVCDER-UHFFFAOYSA-N 345.402 3.708 0 1 EHAF C[C@H]1CC=C(Nc2ccc3ccccc3c2)c2ncc(C(=O)O)c(=O)n21 100787889 DJKXBBHCQZSGMB-LBPRGKRZSA-N 347.374 3.512 0 1 EHAF FC(F)(F)c1ccc(Nc2nnnc3ccc(Cl)nc23)cc1 103272004 ZXSNZXPHBDPPBF-UHFFFAOYSA-N 325.681 3.836 0 1 EHAF COCOc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(C)[C@@H](C2)[C@@H]1C 169320377 NLTOTHMTWJITSO-SSKFGXFMSA-N 337.463 3.852 0 1 EHAF COc1ccc2c(c1)cc1n2CCN2C(=O)c3cc(C)ccc3N(C)[C@@H]12 221967200 LAIXHJXNHYKXRP-HXUWFJFHSA-N 347.418 3.563 0 1 EHAF CC[C@@H]1CC(=O)[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 255210395 FUMGFDQTISKFTC-GIHKHIAXSA-N 332.484 3.630 0 1 EHAF O[C@]1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCCC[C@H]2CO1 261161834 QYZRXDDFXNRNLE-VQTJNVASSA-N 327.399 3.523 0 1 EHAF C[C@@H](O)c1ncc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)s1 587022639 SWOUOXKAMBYFBD-RXMQYKEDSA-N 331.294 3.898 0 1 EHAF COC(=O)c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1OC 587058514 HDAWWIDRLXBKEX-UHFFFAOYSA-N 344.798 3.797 0 1 EHAF Oc1ncnc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083091 FZFYHCBUAKCVID-UHFFFAOYSA-N 332.150 3.581 0 1 EHAF COC(=O)c1ccnc2[nH]c(Cc3ccc(C)c(C(F)(F)F)c3)nc12 587095726 SFAVQGWHRXPNGO-UHFFFAOYSA-N 349.312 3.663 0 1 EHAF COc1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587169101 VHOQXGXBYSPXAA-UHFFFAOYSA-N 349.369 3.836 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1[nH]c1cc(N)ccc31)O2 587397435 VKOPKUCYLZQMIU-OAQYLSRUSA-N 347.418 3.838 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCC3(C[C@H]1C)OCCO3)CC2=O 587482243 DJGBQXZOOJJUDW-BFUOFWGJSA-N 346.423 3.612 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCNc3nc(C)ccc31)CC2=O 587488020 XKHNZYROBUOVIG-FQEVSTJZSA-N 338.407 3.724 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccccn2)N1 587769427 GCUFHFTWIRLKDT-GTNSWQLSSA-N 349.247 3.975 0 1 EHAF COc1cc(-c2nc3ccc(OC(C)C)cc3[nH]2)cc(OC)c1O 587785414 LQCDVRWIPBTTPD-UHFFFAOYSA-N 328.368 3.740 0 1 EHAF COc1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2cc1F 587785653 AUAUOYDJSZNYAG-UHFFFAOYSA-N 342.370 3.843 0 1 EHAF COc1ccc(/C=C/Cc2nc3cncc(Cl)c3[nH]2)c(OC)c1 587931049 YJEMIWYHQKHXPQ-ONEGZZNKSA-N 329.787 3.884 0 1 EHAF Clc1nc2ccccc2cc1Cn1nnnc1Cc1ccccc1 1772585936 HWSLNTFBLZEAFC-UHFFFAOYSA-N 335.798 3.514 0 1 EHAF CC(C)c1cc(C(=O)N2CC=C(c3cc4ncccc4[nH]3)CC2)on1 1857578687 AYRMCKGXAVTZID-UHFFFAOYSA-N 336.395 3.604 0 1 EHAF CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O 13488375 XOPMUDZOEKPBQZ-KORIGIIASA-N 339.476 3.510 0 1 EHAF C[C@@H]1CCC[C@H](n2cnc3c(sc4nccc(N(C)C)c43)c2=O)C1 13676133 ZAFIKJPXKKFWNF-NEPJUHHUSA-N 342.468 3.823 0 1 EHAF C[C@H](Cc1ccc2c(c1)OCO2)c1nc2c(cnn2C2CCCC2)[nH]1 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0 1 EHAF in-vitro O=C1[C@H]([C@H](O)c2cccc(Cl)c2)CCCN1Cc1ccccc1 103284591 KVSUHCXJPBQPTQ-ZWKOTPCHSA-N 329.827 3.812 0 1 EHAF Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccccc1Cl 137213420 GBMZBMSAUIOTPR-UHFFFAOYSA-N 338.798 3.595 0 1 EHAF O=S(=O)(c1cccc(Cl)c1)c1ccc2c3c(oc2c1)CCNC3 143530101 QZXBRQOXNQOAEY-UHFFFAOYSA-N 347.823 3.565 0 1 EHAF CC(=O)N(c1cccc(C)c1)c1sc(=O)n(-c2ccccc2)c1O 169690202 YLVVNAZEDXDHAT-UHFFFAOYSA-N 340.404 3.598 0 1 EHAF CN(C)C(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587080020 JYZRKESGRLVJKE-INIZCTEOSA-N 341.798 3.594 0 1 EHAF FC(F)(F)c1ncc2nc(-c3ccc(Cl)c(Cl)n3)nc-2[nH]1 587084371 KTEZOPPOOQKAHJ-UHFFFAOYSA-N 334.088 3.692 0 1 EHAF Nc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C(F)(F)F)c1 587095729 SGSDXLXRLFHCRG-UHFFFAOYSA-N 346.312 3.716 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c(OC)c1)[C@@H](C2)C3=O 587419485 DNTNDTOYOCLXHI-SGTLLEGYSA-N 330.767 3.846 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ncc(-c4ccccc4)[nH]1)[C@@H](C2)C3=O 587438022 KZVILDWAJUXYGH-IFXJQAMLSA-N 332.359 3.574 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1C(=O)O)CC2=O 587478440 AWLXILTUIBHWFK-HXUWFJFHSA-N 340.375 3.924 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@H]1[C@@H](C(=O)OCC)C1(C)C)CC2=O 587485338 VJQBDVNCDKEKQC-ULQDDVLXSA-N 346.423 3.514 0 1 EHAF CCOC(=O)[C@H](F)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 587501502 BZJYTOLGOFRODI-PKOBYXMFSA-N 334.387 3.581 0 1 EHAF C[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584864 BJBCZKGCPBUDLD-FXAWDEMLSA-N 333.343 3.664 0 1 EHAF C[C@@]1(c2cscn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616932 HNDIKOYHYFMVNS-QAPCUYQASA-N 339.372 3.726 0 1 EHAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 587792481 IECRWKCXGMHQPV-JKYUHCHBSA-N 325.181 3.508 0 1 EHAF CC1(C)COC(c2cccc(-n3c(O)ccc3OC(C)(C)C)c2)=N1 587938238 RKMHDZWXNSAJBP-UHFFFAOYSA-N 328.412 3.916 0 1 EHAF CC[C@]1([C@H]2CCCNC2)NC2(CC2)Cc2ccc(Br)cc21 961617802 WIZRSXMGEZGYAK-KBXCAEBGSA-N 349.316 3.732 0 1 EHAF CN1C(=O)C[C@@H]2CN[C@@]3(C=C(c4ccccc4)CC3)c3cccc1c32 963036652 UOWFOOSGRBRTSV-VGSWGCGISA-N 330.431 3.813 0 1 EHAF COC(=O)c1ccccc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963108813 YQMYYQSXHSPUJA-HNAYVOBHSA-N 325.383 3.722 0 1 EHAF CC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 1857536510 CIUZTBJZAMUYJU-UCUCSMLPSA-N 334.500 3.710 0 1 EHAF CC(=CCCC(=CCCC(C)=CCCC1=CC(=O)OC1)CO)CO 2356509587 UVMQCFGEJNWYOG-UHFFFAOYSA-N 334.456 3.614 0 1 EHAF O=C(N[C@H]1CCO[C@@H](c2ccc(Cl)cc2)OC1)c1ccccc1 28826670 UAJOLQRCZQPYNW-FUHWJXTLSA-N 331.799 3.574 0 1 EHAF c1ccc(CCc2ccccc2OCCCCN2CCOCC2)cc1 29484590 VQLTXWOEDAMNEK-UHFFFAOYSA-N 339.479 3.963 0 1 EHAF CCC(=O)N1c2ccccc2[C@@H]2CN(CCc3ccccc3)CC[C@H]21 36216086 KIEDKQOTIJJPES-PZJWPPBQSA-N 334.463 3.844 0 1 EHAF CCOc1ccc(S(=O)(=O)NC2CCCCCC2)c2cccnc12 38844126 NXHITLCBZLBTDI-UHFFFAOYSA-N 348.468 3.635 0 1 EHAF Oc1ccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1 73293117 IAFJBBRUTHQHRQ-UHFFFAOYSA-N 334.354 3.853 0 1 EHAF CCOC1(OCC)C(C)(C)[C@H]2c3ccccc3[C@@]1(C)c1cccc[n+]12 100714766 OIKLTEIZRYPUJI-CTNGQTDRSA-N 338.471 3.992 0 1 EHAF CCN(CC)CCCCNc1[nH]cc(C)c2nc3ccncc3c1-2 100794977 GHVQRWWZKCXKOS-UHFFFAOYSA-N 325.460 3.905 0 1 EHAF Cc1ccc(-c2cccc(NC(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)c2)o1 102166936 VAMWDEDFRKPIHI-KNCCTNLNSA-N 337.375 3.716 0 1 EHAF O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](OCCC2CC2)C1 103251196 GUJCMFXVYDCAJJ-ZDUSSCGKSA-N 343.345 3.799 0 1 EHAF Cc1cc(=O)n2[nH]c(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 136114382 HZTKWPUYNLCAMY-UHFFFAOYSA-N 327.693 3.670 0 1 EHAF O=C(c1ncco1)[C@@H]1COc2cc(OCc3ccccc3)ccc2C1 169336435 GQLUGSLKMKLIDM-INIZCTEOSA-N 335.359 3.688 0 1 EHAF COc1ccc(/C=C/C(=O)O)cc1C/C=C(\C)[C@H](O)CC=C(C)C 238758885 YQBWMLNIUYVJNW-IACYGXRMSA-N 330.424 3.999 0 1 EHAF COC(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587037392 UXVCNKONNQJHGL-AWEZNQCLSA-N 330.434 3.790 0 1 EHAF Oc1c(F)cc(F)cc1-c1nc2ccc(Br)c(O)c2[nH]1 587134699 VUXXFFJSNKAAHM-UHFFFAOYSA-N 341.111 3.682 0 1 EHAF CC(C)(C)Oc1cc(-c2nc3nc(Cl)c[nH]c-3n2)c(N)cc1F 587135794 FDJOCXBMHZCWIK-UHFFFAOYSA-N 335.770 3.524 0 1 EHAF 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343.452 3.997 0 1 EHAF Oc1nc2cc3nc([C@@H]4SCCc5sccc54)[nH]c3cc2[nH]1 587036530 DWHQGYGMOGWTRL-CYBMUJFWSA-N 328.422 3.585 0 1 EHAF Cc1c(-c2ncnn2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097234 MNDMVYZBYMFBFR-UHFFFAOYSA-N 340.386 3.859 0 1 EHAF COc1cccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)c1 587214517 RNTSLRNSPFGPIF-SFHVURJKSA-N 329.399 3.989 0 1 EHAF CC(C)Oc1ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2c1 587254594 OVIHVMISZLOTCG-UHFFFAOYSA-N 345.406 3.887 0 1 EHAF CCOC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352359 XBLUTOSDENUUMX-HKUYNNGSSA-N 330.355 3.685 0 1 EHAF C[C@]1([C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360476 VNEGSTNKPWULOM-CMKODMSKSA-N 342.366 3.828 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3ccnc3)cc1)O2 587389696 IKQQVTGFNOJGLG-FQEVSTJZSA-N 333.391 3.644 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OC(C)(C)C)n1)O2 587394010 PKDXEXRXDCZLPJ-MRXNPFEDSA-N 326.396 3.856 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(C)ccc3nc1O)O2 587395879 VOVPHGGMPUPHJY-SFHVURJKSA-N 334.375 3.846 0 1 EHAF COCCCc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587400567 QYMIPRXJQPBWIE-IBGZPJMESA-N 325.408 3.863 0 1 EHAF COc1cc2c3c(c1)O[C@](c1ccc(F)cn1)(C(C)C)[C@@H](C2)C3=O 587428392 OHXPUUZXVAPZMW-IFXJQAMLSA-N 327.355 3.528 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1-c1ccccc1)[C@@H](C2)C3=O 587430725 GKKUKYQZZLMHJY-YCRPNKLZSA-N 346.386 3.584 0 1 EHAF CC[C@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587456894 YHGHGYITAANLSK-WAWZGNHOSA-N 330.424 3.797 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](C(=O)OCC)C1)CC2=O 587477153 FRWVSZQGIUYGJA-RBZFPXEDSA-N 346.423 3.802 0 1 EHAF COc1cccc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587513284 BZHUEXNVAWNAQX-NRFANRHFSA-N 337.419 3.936 0 1 EHAF CCCCCCc1cc2c(O)nc(O)nc2nc1-c1ccc(N)cc1 587555711 RFTPWJUZYKTSAW-UHFFFAOYSA-N 338.411 3.808 0 1 EHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Oc1ccc(F)c(F)c1 587650193 PBRJXGNUWBYHIL-UHFFFAOYSA-N 337.347 3.950 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2F)N1 587728121 RJALIMSQBMWNLH-ANRSDYALSA-N 339.183 3.746 0 1 EHAF Cc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587773317 QLDRYVVHOVBMHX-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccs2)N1 587856284 XIODQMSUFPBFDA-KRTXAFLBSA-N 327.222 3.668 0 1 EHAF O=C(Nc1ccc(C(=O)O)cc1)Nc1nc2ccc(F)cc2s1 653915696 ZPTBHDXRGPNBQR-UHFFFAOYSA-N 331.328 3.778 0 1 EHAF COc1ccc2c(c1OC)[C@@H](c1c(F)cc(O)cc1F)N(C)[C@@H](C)C2 962566759 IWQUFFRHOCPFMR-YPMLDQLKSA-N 349.377 3.653 0 1 EHAF CN1CCc2cnn(C)c2[C@H]1c1cccnc1-c1ccc(Cl)cc1 963955429 PSPWEKHTESRSGA-LJQANCHMSA-N 338.842 3.713 0 1 EHAF c1coc(-c2nc(=NC3Cc4ccccc4C3)c3ccccc3[nH]2)c1 1772571616 NZSRNECXKGBZCA-UHFFFAOYSA-N 327.387 3.891 0 1 EHAF COCc1ccccc1CCN1CCCC[C@@H]1[C@@H](O)c1ccccc1 2356364024 OQGFTWNDUDCPTQ-YADHBBJMSA-N 339.479 3.964 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@@]2(O)C1 2356448626 JUOMBKQDQFIYNU-BWMZKYQQSA-N 332.440 3.732 0 1 EHAF CCCn1c(=O)c2[nH]c(-c3cccs3)nc2n(CCC)c1=S 4787 AKMVZDXMRCPXFG-UHFFFAOYSA-N 334.470 3.804 0 1 EHAF O=C1CCN([C@H]2CCCC[C@@H]2OCCc2cccc3ccccc23)C1 7759 OCJAMRRVVABJIC-VXKWHMMOSA-N 337.463 3.985 0 1 EHAF O[C@@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 13472052 OEBHJVBOMQYFSW-NRFANRHFSA-N 337.463 3.502 0 1 EHAF C[C@@H]1SCN(CCCNc2ccnc3cc(Cl)ccc23)C1=O 35091129 YRMQOBKLBSVRPJ-NSHDSACASA-N 335.860 3.612 0 1 EHAF COc1ccc2cc(C(=O)[C@H]3CN=C4C=C(C)C=CN4C3)ccc2c1 43064872 BADYOOATTNOKEO-SFHVURJKSA-N 332.403 3.835 0 1 EHAF Cc1ccc(-c2nnc(NC(=O)COc3ccc(F)cc3)o2)cc1C 66139570 MADFXMJKHCKBCM-UHFFFAOYSA-N 341.342 3.510 0 1 EHAF C=CC1=C(C(=O)NC2CCCCC2)[C@H](c2ccc(OC)cc2)OC1 73222224 ISMIFYQJROBPRS-IBGZPJMESA-N 327.424 3.698 0 1 EHAF O=C(Nc1cccc2c1C[C@H](O)C2)N[C@H]1CC[C@@H](c2ccccc2)C1 169704871 YZQTXNNYKDDAPW-BPQIPLTHSA-N 336.435 3.604 0 1 EHAF CC(=O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 238735560 QQVGVJQPAJHUGT-PWZHJWOBSA-N 334.500 3.566 0 1 EHAF COc1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)cc(Cl)c1O 587045710 DJRJYOCQFDGLBM-UHFFFAOYSA-N 328.130 3.785 0 1 EHAF COC(=O)c1cc2[nH]c(CCc3ccccc3Cl)nc2cc1OC 587057718 DCAPKPJMLMFDNE-UHFFFAOYSA-N 344.798 3.797 0 1 EHAF COc1cncc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587061321 VJUDBWXFQXRWGK-UHFFFAOYSA-N 326.743 3.942 0 1 EHAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Cl)ncc2[nH]1 587108690 PFQYPLDEAZWTDT-UHFFFAOYSA-N 341.676 3.995 0 1 EHAF CCOc1cc(/C=C\c2nc3ccnc(O)c3[nH]2)ccc1OC(F)F 587129538 DPDKTFYMIJTVCX-XQRVVYSFSA-N 347.321 3.834 0 1 EHAF Oc1nc2cc3nc(-c4ccc(Br)cc4F)[nH]c3cc2[nH]1 587142552 FAWSQIKPVNIUFG-UHFFFAOYSA-N 347.147 3.713 0 1 EHAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cnncc3[nH]2)c(F)c1 587145541 YOCASHQEKSOWMD-UHFFFAOYSA-N 348.337 3.833 0 1 EHAF Fc1cc(Br)cnc1-c1nc2cc(Cl)cnc2[nH]1 587155531 NQPGJPQEKXVHGC-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF CN(C)[C@H](c1ccc(F)cc1)c1nc2c(Br)ccnc2[nH]1 587163176 HUTRXTPTULVECW-CYBMUJFWSA-N 349.207 3.511 0 1 EHAF Fc1nc(Cl)ccc1-c1nc2ccc(Br)nc2[nH]1 587177603 PVZQPBPMNZGRLV-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccnc3[nH]2)c1 587242356 TYWMSMLURFSEFQ-UHFFFAOYSA-N 326.356 3.678 0 1 EHAF COc1cc2c3c(c1)O[C@@H](CCc1cccc(C)c1F)[C@@H](C2)C3=O 587425490 DHPSXCMALFBJSW-CVEARBPZSA-N 326.367 3.892 0 1 EHAF CC[C@@H](CCC(=O)OC)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527006 VSTOXHQTHLKWBD-SCLBCKFNSA-N 330.424 3.879 0 1 EHAF CCOC(=O)c1ncn2c1c(CO)c(-c1ccccc1)c1ccccc12 653837666 OIXKEOPKVMIFIA-UHFFFAOYSA-N 346.386 3.824 0 1 EHAF CC(C)N1CCC[C@H](NC(=O)c2c(Cl)cccc2Cl)CC1 1857604318 IPVHAHFWPXTHLM-LBPRGKRZSA-N 329.271 3.986 0 1 EHAF Cc1nn(C(=O)c2cccnc2)c(N)c1-c1ccc(Cl)c(Cl)c1 1857652785 AXKOZAJLACUUNC-UHFFFAOYSA-N 347.205 3.831 0 1 EHAF C[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CC[C@H]1COC(=O)C1 2356456165 TUFKWTIZKAZNKT-CDDAVODSSA-N 332.440 3.646 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@@]2(CO)[C@@H]1C 2356679478 WQFXWUMJCAMKEK-MXHNKVEKSA-N 332.440 3.589 0 1 EHAF CS(=O)(=O)c1ccc(N(Cc2ccc(F)cc2)CC2CC2)cc1 27345 JJVWRXBYIMOUME-UHFFFAOYSA-N 333.428 3.646 0 1 EHAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N(C)C 4295648 QCTGOOPKPYSFQZ-ROUUACIJSA-N 332.444 3.797 0 1 EHAF CC(C)[C@@H]1NC(=O)C[C@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 17192775 HDJDSSXXUGJKNN-YZGWKJHDSA-N 337.423 3.997 0 1 EHAF CC(C)Oc1nc(Nc2ccc3[nH]cnc3c2)ncc1C(F)(F)F 28520534 BWBDFPICCPCNOU-UHFFFAOYSA-N 337.305 3.903 0 1 EHAF Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)cc1 28890092 PDUJWTVHHXPQBR-UHFFFAOYSA-N 342.786 3.896 0 1 EHAF CC(=O)O[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CCC[C@@]4(C)[C@@H]3CC[C@]12C 29416435 QMLITUVHFWKQTB-QAGZKXQMSA-N 347.499 3.829 0 1 EHAF O[C@]1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCCC[C@@H]2CO1 40953333 QYZRXDDFXNRNLE-WOJBJXKFSA-N 327.399 3.523 0 1 EHAF Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3F)C2)c1 66136616 JFRPXMZRXKMAIN-UHFFFAOYSA-N 327.403 3.831 0 1 EHAF N[C@@H]1CCc2c(Br)ccc(-c3ccccc3)c2CC1=O 72141469 XFZZDIHCNHYESF-MRXNPFEDSA-N 330.225 3.501 0 1 EHAF in-vitro O=C1Nc2ccc(NC(=O)c3ccccc3)cc2/C1=C/c1ccc[nH]1 100865183 UUTKMGHDUJEUEK-BOPFTXTBSA-N 329.359 3.760 0 1 EHAF CCC(=O)CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OC)cc13 299826339 ZEJIXXSURFSDRV-GIVPXCGWSA-N 327.468 3.733 0 1 EHAF C[C@@H](O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]21CO 299850360 ROFPAWOFLPYVLV-XRSBIQKHSA-N 334.500 3.568 0 1 EHAF Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)O2 584904847 SBKJRDAJADZOCH-XGBSXSJOSA-N 340.398 3.971 0 1 EHAF in-vitro CC1(C)COc2c(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)cccc21 586911937 MJYMWBGBWJSDDH-UHFFFAOYSA-N 326.327 3.737 0 1 EHAF CCO[C@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCCO4)s1 587015129 XVPUXNVHCWPWMN-SNVBAGLBSA-N 345.424 3.864 0 1 EHAF COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1F 587076400 RXKDEQHFURCNGZ-UHFFFAOYSA-N 343.749 3.612 0 1 EHAF COC(=O)C[C@H]1Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587097331 LKRLYZWHEHGEMJ-GFCCVEGCSA-N 343.382 3.957 0 1 EHAF FC(F)(F)c1cc(Cc2nc3cncnc3[nH]2)cc(C(F)(F)F)c1 587109690 JACXXPBTERKVJM-UHFFFAOYSA-N 346.234 3.981 0 1 EHAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587164357 TWAZIQLYKMTPCU-HNNXBMFYSA-N 341.283 3.909 0 1 EHAF COc1ncc(F)cc1-c1nc2c(Br)c(F)ccc2[nH]1 587175843 INAVLBOCANTJHD-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C)N(Cc3ccccc3)C1)O2 587393393 HWXYNAKJCDEESS-QVKFZJNVSA-N 336.435 3.576 0 1 EHAF CCOC(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399061 HNPXWIAUDFZBEL-FQEVSTJZSA-N 339.391 3.635 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cccs1)O2 587411011 AJDLZZCBGMZWRX-IPLHWJFFSA-N 328.437 3.575 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(Cl)c(N)cc41)[C@@H](C2)C3=O 587423023 SKAFGABDJJJMMG-ORAYPTAESA-N 341.794 3.520 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCN([C@H](C)c4ccccc4)C1)[C@@H](C2)C3=O 587439575 VIRWPERUPPKMSM-GHNFSYLKSA-N 349.430 3.648 0 1 EHAF C[C@@H](O)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587529209 LJEVZOJLNSQIKR-QRQCRPRQSA-N 336.431 3.893 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2F)N1 587737828 HOVIILLCDWCPTJ-CLAHSXSESA-N 339.183 3.746 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCN(C)C)N1 587739481 HHLHFHQTUBLCSK-ZBEGNZNMSA-N 343.284 3.679 0 1 EHAF CCn1c(-n2nc3cc2Oc2ccc(F)cc2-3)nc2ccccc2c1=O 587876264 QBVUFRDTOZPKPF-UHFFFAOYSA-N 348.337 3.514 0 1 EHAF Cc1ccnc2c1CCN[C@]21CCN(Cc2ccccc2)C2(CC2)C1 963071275 QJNJOSUYAKPDEP-QFIPXVFZSA-N 333.479 3.560 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccn1)[C@H]1CCNC1 963237690 YUQDCKQCBRPDGT-ZWCUEREDSA-N 335.495 3.591 0 1 EHAF COC(=O)Nc1noc2cc(-c3c(-c4ccccn4)n[nH]c3C)ccc12 1772586055 DPEMJYBAOGGQLV-UHFFFAOYSA-N 349.350 3.767 0 1 EHAF Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccccn4)cc3)c12 1772641848 CFDOBTIFMPKBRD-UHFFFAOYSA-N 344.378 3.972 0 1 EHAF OCc1ccc(-c2nc(-c3ccccc3CO)c3ccccn23)s1 1772649706 RUSRKTMSFAJPJW-UHFFFAOYSA-N 336.416 3.714 0 1 EHAF O=C(NCCc1ccccc1F)c1ccc(-c2ccccc2O)cn1 1857544671 QGOKGZHLSVZZIX-UHFFFAOYSA-N 336.366 3.566 0 1 EHAF COc1ccc(/C=C2/C(C)=C(Cc3nn[nH]n3)c3ccccc32)cc1 1857616995 ZZJMGBRJMNGVNJ-WQRHYEAKSA-N 330.391 3.779 0 1 EHAF CC1=CCC[C@@H]2[C@](C)(CCC(=CC(=O)O)CO)[C@H](C)C[C@@H](O)[C@@]12C 2356579284 WRCVUQWHXHGCEC-JECYIRHJSA-N 336.472 3.540 0 1 EHAF C[C@@H]1c2ccoc2C[C@@H]2[C@@H]1CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C(=O)O 2356598463 QRMVWXGDIZSPKK-VHRSRONTSA-N 346.423 3.927 0 1 EHAF O=C(Nc1ccc(F)cc1)c1csc([C@H](O)Cc2ccccc2)n1 82083639 XGSFANKWCPMDSD-MRXNPFEDSA-N 342.395 3.811 0 3 EHAF Cc1oc2ccc(NC(=O)c3ccc(F)cc3)nc2c1CCN(C)C 26139 GQSPCQAPLIPSQV-UHFFFAOYSA-N 341.386 3.632 0 1 EHAF CCN(CC)C[C@@H](C)OC(=O)[C@@H]1CCCC[C@@]1(O)C1CCCCC1 1846349 XPYLKZZOBVLVHB-IMFGXOCKSA-N 339.520 3.762 0 1 EHAF in-man C[C@@H]1CC[C@@]2(O)CC(C(=O)O)=CC=C[C@@H]2[C@@]1(C)CCc1ccoc1 14679534 NYKQUSBBQDKKGU-SIKIZQCASA-N 330.424 3.967 0 1 EHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc(O)c1 19826062 ZUFHZQQDPOXHRM-PQMNFKMDSA-N 345.395 3.594 0 1 EHAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3cc(C)nc(C)c3)cc21 29414918 RZCCYPFPALDTNG-UHFFFAOYSA-N 340.354 3.538 0 1 EHAF O=C(OCc1ccccc1)N1CCC(CNc2nccs2)CC1 34280037 WOIDDZSLDVWACJ-UHFFFAOYSA-N 331.441 3.604 0 1 EHAF Cc1cc(OCCn2ccnc2)nn1-c1ccc(Cl)c(Cl)c1 34658977 ABXFIBVLIGBXTL-UHFFFAOYSA-N 337.210 3.763 0 1 EHAF CC[C@H](Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccccc1 42922019 CXSOCHXAVCIAHJ-XLIONFOSSA-N 338.451 3.629 0 1 EHAF CCc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 72107708 COQILBRZHVCERE-UHFFFAOYSA-N 339.345 3.767 0 1 EHAF CC(C)n1cc(C2=NCc3ccnc(O[C@@H](C)C(F)(F)F)c32)cn1 96175987 XJZFAVOWIMYVGP-JTQLQIEISA-N 338.333 3.540 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]2O[C@]12C 238776047 JYFQGNVUDRLGJK-AEAIDXRRSA-N 336.472 3.785 0 1 EHAF CC[C@H](C)NC(=O)NC(=O)c1ccccc1OCc1ccccc1 299854596 ACSCQXRMIGPQLU-AWEZNQCLSA-N 326.396 3.504 0 1 EHAF Cc1c(-c2nc3c(Br)nccc3[nH]2)oc2c1[C@H](O)CCC2 586905398 NRBNEJJNWRNVSR-SECBINFHSA-N 348.200 3.659 0 1 EHAF Cc1cc(Cc2nc3cccc(C(=O)O)c3[nH]2)ccc1Br 586975877 GQMZQGRBSPACSB-UHFFFAOYSA-N 345.196 3.923 0 1 EHAF COc1cc(/C=C\c2nc3cnccc3[nH]2)ccc1Br 586975979 HVPYCEYYFZCJMH-HYXAFXHYSA-N 330.185 3.899 0 1 EHAF Nc1cnccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987726 RNKNHWWFKGXAHI-UHFFFAOYSA-N 339.354 3.796 0 1 EHAF C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC[C@H]1O 586992855 YURCREZYTWYUID-ZUZCIYMTSA-N 331.371 3.562 0 1 EHAF CC1(C)OC=C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587359493 YSCPNGPXBNYHRC-PXNSSMCTSA-N 340.350 3.952 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Cn3cccn3)c1)O2 587392304 SLQRUUIVGWWUOA-IBGZPJMESA-N 333.391 3.529 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(Br)c1)[C@@H](C2)C3=O 587416387 AFGDOJFUYDFGRT-SUMWQHHRSA-N 345.192 3.946 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(SC)nc1)CC2=O 587493230 RKQXUJLJDKNWBI-OAHLLOKOSA-N 330.409 3.563 0 1 EHAF CCCc1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)N[C@@H]1CCOC1=O 587643488 UQKMFVGYDDOYSR-SJKOYZFVSA-N 342.439 3.679 0 1 EHAF O=C(c1cncn1-c1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587875547 QNSHDEUDAQUOMM-UHFFFAOYSA-N 346.321 3.669 0 1 EHAF CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4n[nH]c(C5CC5)n4)c3c2)o1 1772624388 ORCAYCBKCKHOLI-UHFFFAOYSA-N 349.398 3.701 0 1 EHAF CC1=CC=C[C@@H](C)C(=O)C[C@@H](C(C)C)[C@H]2C=C(CC(=O)C1)C(=O)O2 2356550095 BMKPIWHFMRABEY-DKSSEZFCSA-N 330.424 3.571 0 1 EHAF CCOC(=O)Cc1cc(O)cc2c1C(=O)CCCCC[C@@H](CC)O2 2356646146 REFVLKFVPGVWOF-OAHLLOKOSA-N 334.412 3.802 0 1 EHAF CCCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1ccccc1C 6724508 YQJXRRVXSSRHFD-UHFFFAOYSA-N 334.419 3.904 0 3 EHAF CCc1cc2c(nc1CC)CCCN2S(=O)(=O)c1ccc(C)cc1 199726249 IAVYPSCACBZGLH-UHFFFAOYSA-N 344.480 3.656 0 3 EHAF O=C1C[C@H](CN2CCC(Cc3ccccc3)CC2)Oc2ccccc21 13607215 SVALPNADURCFPN-LJQANCHMSA-N 335.447 3.975 0 1 EHAF in-vivo NCCCCN1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1 13743899 SBNSZHJZYONSNC-SFHVURJKSA-N 344.886 3.775 0 1 EHAF CC(C)=CCc1cc([C@H]2Oc3cc(O)ccc3C[C@H]2O)ccc1O 14819218 PTZNBCJWCJFLPQ-UYAOXDASSA-N 326.392 3.644 0 1 EHAF biogenic O=C(c1ccccc1)N1Cc2cc(O)ccc2[C@H](c2ccc(O)cc2)C1 26662438 TXMWYKYJRAYYNL-NRFANRHFSA-N 345.398 3.886 0 1 EHAF CC(=O)NCCCc1c[nH]c(-c2ccc(F)cc2)c1-c1ccncc1 34029112 POOQCUCZWBAPCW-UHFFFAOYSA-N 337.398 3.952 0 1 EHAF COc1ccc(OCCCc2ccccc2)c(CCCNC(C)=O)c1 49071436 COSKZWNTGJBARX-UHFFFAOYSA-N 341.451 3.776 0 1 EHAF O=c1oc2ccccc2cc1OC1CCN(Cc2ccccc2)CC1 95595756 DVFZOOLUKVYDFJ-UHFFFAOYSA-N 335.403 3.836 0 1 EHAF CCCNC(=S)NCCCNc1ccnc2cc(Cl)ccc12 96932633 OQPKUSKANFGLOX-UHFFFAOYSA-N 336.892 3.564 0 1 EHAF COc1cc(NCc2ccc(C(=O)O)s2)ccc1-c1cnco1 96935296 VFUILAALXLJKNI-UHFFFAOYSA-N 330.365 3.722 0 1 EHAF CNC(=O)[C@@H](OC)c1cccc(COc2cc(C)ccc2Cl)c1 103177224 YDGJRZNRRWOOHX-KRWDZBQOSA-N 333.815 3.661 0 1 EHAF COC(=O)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1OC 586886992 HDLZGOZSJGIDRU-VFNWGFHPSA-N 348.402 3.730 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1n[nH]cc1CC3 586989372 GMIUDXWOWSNESD-UHFFFAOYSA-N 339.354 3.641 0 1 EHAF O=C(O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587016806 DSEJGQTVWUMJPG-UHFFFAOYSA-N 325.349 3.568 0 1 EHAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587087594 DVCNMFNBBHTNFM-SNVBAGLBSA-N 347.344 3.637 0 1 EHAF COc1ccccc1NC(=O)[C@@H](N=O)c1cc2c3c(cccc3n1)CC2 587212671 KSQQALDTUVZCFJ-IBGZPJMESA-N 347.374 3.788 0 1 EHAF c1coc(CNCc2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2)c1 587232621 WPBYHLYJCSPCNB-UHFFFAOYSA-N 347.374 3.841 0 1 EHAF CCOC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357498 USBGAHQBWULBOY-VDUSKEEQSA-N 342.366 3.828 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@H]1Cn1ccnc1)O2 587391122 POWKUNVJIYFACB-MGPUTAFESA-N 339.439 3.758 0 1 EHAF Cc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587587133 LASDXJSYYNJOSG-XLIONFOSSA-N 333.343 3.799 0 1 EHAF CCCc1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)N[C@@H]1CCOC1=O 587643490 UQKMFVGYDDOYSR-YVEFUNNKSA-N 342.439 3.679 0 1 EHAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CCCCO 587866128 UEMCJWNCBYZLAU-UHFFFAOYSA-N 328.334 3.740 0 1 EHAF Cc1cc(Br)c2[nH]c(CC[C@@H](C)CC(=O)O)nc2c1 587960128 GAFCDSRTIYNJIL-MRVPVSSYSA-N 325.206 3.677 0 1 EHAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587962447 JJDYKSRDRZETHJ-VXGBXAGGSA-N 334.423 3.552 0 1 EHAF COc1cc2ncnc(Nc3c(Cl)ccc(O)c3F)c2cc1OC 653720565 UHKNINGWQKGQGB-UHFFFAOYSA-N 349.749 3.889 0 1 EHAF COc1ccc2c(c1)[C@H](c1ccc(C)nc1OC)N(C(C)C)CC2 962087482 FDRQZQSLXWVRSD-IBGZPJMESA-N 326.440 3.763 0 1 EHAF COc1ccccc1CCNC[C@H]1C[C@@H]1c1cc(F)ccc1OC 1772634595 KRFJMGWOCHPLGB-WBVHZDCISA-N 329.415 3.779 0 1 EHAF C[C@@H]1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@]1(O)Cc1ccccc1O 1857564183 HXWOYNCIHDBMNX-WFUUAIFHSA-N 332.484 3.899 0 1 EHAF Cc1[nH][nH]c(=NC(=O)C(F)(F)F)c1-c1ccc(Cl)c(Cl)c1 1857654645 VQPUXJOVIXJWOF-UHFFFAOYSA-N 338.116 3.615 0 1 EHAF C[C@@H](O)c1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccccc1 2356295703 XDAOOYVOOYYBBI-ZIAGYGMSSA-N 336.391 3.886 0 1 EHAF CC=CC=CC=C(CO)[C@H](OCc1c(O)cccc1CCC)[C@@H](C)O 2356723045 XKIAQQKVGCCNKN-IIBYNOLFSA-N 346.467 3.662 0 1 EHAF CC(=CCc1cc2cc(-c3cc(O)cc(O)c3)oc2cc1O)CO 2356735720 GPKLNIVEGYWQJZ-UHFFFAOYSA-N 326.348 3.698 0 1 EHAF O=C(NC[C@@H]1CCCO1)c1cc2cc3ccc(Cl)cc3nc2o1 429167 AJEPZSIRSAIORJ-ZDUSSCGKSA-N 330.771 3.543 0 1 EHAF COc1ccc([C@H](O)[C@H](C)N2CC=C(Cc3ccccc3)CC2)cc1 5763248 XQLBAPHRSPLANO-HTAPYJJXSA-N 337.463 3.992 0 1 EHAF CCN(CC)CCOCCN(C)CC1(c2ccccc2)CCCC1 13737821 HJIDDNWODZXEAI-UHFFFAOYSA-N 332.532 3.789 0 1 EHAF Cc1ccc(-c2nnc3n2ccc2nnc(-c4ccc(C)cc4)n23)cc1 28712760 FABOMGNVTHLXBI-UHFFFAOYSA-N 340.390 3.723 0 1 EHAF COc1cc(/C=C/c2cc[n+](C)c3ccccc23)cc(OC)c1OC 36382842 ABTMCBPQBGCUNR-MDZDMXLPSA-N 336.411 3.861 0 1 EHAF COc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1 71341307 BAGKZNKMTKKDNL-UHFFFAOYSA-N 326.270 3.844 0 1 EHAF CCCCCn1c(-c2cccnc2)nc2c(NCC3CC3)ncnc21 82181067 XTTWQETWQGHIHJ-UHFFFAOYSA-N 336.443 3.900 0 1 EHAF C[C@@H](Nc1nc(-c2ccc(C(=O)O)cc2)cnc1N)c1ccccc1 96284821 QAVFLBIUQGWUFC-GFCCVEGCSA-N 334.379 3.597 0 1 EHAF O=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1ccccc12 100025080 FTHJAAJWADUZPL-UHFFFAOYSA-N 341.317 3.626 0 1 EHAF CCc1ccc(C)n2nc(CCc3cn(C)c(-c4ccccc4)n3)nc12 117876590 QLKLZWAIXKNMDN-UHFFFAOYSA-N 345.450 3.786 0 1 EHAF C[C@H]1C[C@H](C)CN(c2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)C1 169364663 BXEYNVPEAPCUBT-YQQAZPJKSA-N 335.451 3.872 0 1 EHAF COc1ccc(C(N)=O)cc1-c1ccc(O)c(-c2ccc(O)cc2)c1 207675789 VYJICDOYZDQLGP-UHFFFAOYSA-N 335.359 3.539 0 1 EHAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@@H](O)[C@H](C)[C@@]12C 238755929 WGFFJGFLKWMSGK-CAAOKMNWSA-N 346.423 3.748 0 1 EHAF COc1cc(CC[C@H](O)CCCCc2ccc(O)cc2)ccc1O 299835745 LKLDBJQOHQJFEV-QGZVFWFLSA-N 330.424 3.813 0 1 EHAF COc1cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2cc1Cl 586881729 IDSWAYPVWRDVQC-SREVYHEPSA-N 328.755 3.990 0 1 EHAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(N)c(N)cc2[nH]1 587012966 WPFIPKULADUBSD-UHFFFAOYSA-N 335.436 3.750 0 1 EHAF Nc1ccc(C(=O)CCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587252074 VDFIUNFBTCTLOZ-UHFFFAOYSA-N 335.194 3.662 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C)cc1-c1ccnn1C)O2 587389802 CTAJGEKUVKYUSN-HXUWFJFHSA-N 347.418 3.993 0 1 EHAF COc1cc(CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O 587400943 UKOOOPZRCUJIKY-FQEVSTJZSA-N 341.407 3.648 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)nn1CCC)CC2=O 587474409 DJYDEPYXIQDHEW-SFHVURJKSA-N 328.412 3.966 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccco1)CC2=O 587485449 VWLVDWHLDBUXDW-IBGZPJMESA-N 344.363 3.663 0 1 EHAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1 587786992 UAYYGOREBPCTDD-OLZOCXBDSA-N 328.318 3.785 0 1 EHAF C[C@@H]1SCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587855591 GTSIEXBUUQUVMR-ITMYJUKJSA-N 330.266 3.843 0 1 EHAF COc1cccc(-c2cc(O)cc(-c3nc4c(N)ccnc4[nH]3)c2)c1 587933391 NEYUOOYZESUATH-UHFFFAOYSA-N 332.363 3.588 0 1 EHAF CCCn1c(C)cc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1C 963028457 PDIUEKOAWNBNJG-BTYIYWSLSA-N 337.467 3.658 0 1 EHAF COc1ccc2c(n1)C(=O)N(C)Cc1ccc(-c3ccc(F)nc3)cc1-2 1857562592 AFCVLCPBYAZGOJ-UHFFFAOYSA-N 349.365 3.544 0 1 EHAF COc1cc([C@H]2Oc3c(O)ccc(C(C)=O)c3[C@@H]2C)cc(OC)c1O 2356417918 QJCUODNUWZTFOT-YYSFKGJASA-N 344.363 3.555 0 1 EHAF COC(C)(C)[C@H](O)Cc1c(C)cc(O)cc1Oc1cc(C)cc(O)c1 2356434651 ZOZHZQKDUWWZSW-LJQANCHMSA-N 346.423 3.835 0 1 EHAF COc1ccc(-c2ccc3c(c2)CN(CC(C)C)Cc2cnnn2-3)cc1 72135682 HWJDCACFWIGPOS-UHFFFAOYSA-N 348.450 3.915 0 3 EHAF O=S(=O)(O)Nc1ccc(-c2nc3ccccc3s2)cc1Cl 1654707 WJYOZDFJVPTJAI-UHFFFAOYSA-N 340.813 3.831 0 1 EHAF Cc1c(C(=O)NCc2ccccc2Cl)oc2c1-c1[nH]ncc1CC2 6748357 FKIYWLAHCKWKNS-UHFFFAOYSA-N 341.798 3.660 0 1 EHAF CN1C[C@H](c2cccc(OCc3ccc4ccccc4n3)c2)OC1=O 26184719 CJBINGOMISUGEU-LJQANCHMSA-N 334.375 3.937 0 1 EHAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(\O)OCC)[C@H]1C 26816359 FPXKPEYPNBANNM-JIUKNFRESA-N 329.396 3.878 0 1 EHAF COc1ccc(CCN2CCC[C@H]2COCc2ccccc2)cc1 27193278 OXSJRWSOCVBCQQ-FQEVSTJZSA-N 325.452 3.919 0 1 EHAF CN(C)Cc1cc(OCCF)ccc1Sc1ccc(F)cc1N 28870420 XFIVQANHMYEPDG-UHFFFAOYSA-N 338.423 3.969 0 1 EHAF CCN1c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2OC[C@H]1C(C)C 28953798 JPQNCUIAEZTWJF-ZDUSSCGKSA-N 340.345 3.790 0 1 EHAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccco2)c2c[nH]nc2N1 64446629 IOPCCXFRUVDLQU-MRXNPFEDSA-N 338.342 3.612 0 1 EHAF O=C1C(c2c(O)[nH]c3ccccc23)=Nc2ccc(Br)cc21 95606351 PTZNOHFUDZSWGX-UHFFFAOYSA-N 341.164 3.953 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3c(O)cccc3CC[C@@H]21 117622351 OWUJRMORFBUXBC-YJBOKZPZSA-N 347.418 3.603 0 1 EHAF Cc1cc([C@@H]2CNCCO2)ccc1Nc1ccc(Br)cn1 149975881 NHIXHHPSCZXTLF-HNNXBMFYSA-N 348.244 3.557 0 1 EHAF COc1ccc2c(c1)CCCN2c1nc(N(C)C)nc2ccccc12 205174718 NWCWAGJWXUABET-UHFFFAOYSA-N 334.423 3.789 0 1 EHAF Cc1cc(NC[C@H]2CCCCN2)n2nc(C)c(-c3ccccc3)c2n1 473172821 YQQDXYOYILTNOI-QGZVFWFLSA-N 335.455 3.567 0 1 EHAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ncn1 586988890 ZCPQRLVCMDAYCO-UHFFFAOYSA-N 339.354 3.917 0 1 EHAF Brc1cc2c(cc1/C=C/c1nc3cccnc3[nH]1)OCO2 586998460 KHMIQIQLXIOFGC-ONEGZZNKSA-N 344.168 3.620 0 1 EHAF Clc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 587039772 FTLJWHYPMIVDAN-OCCSQVGLSA-N 330.844 3.558 0 1 EHAF Cc1cncc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587041145 AFESWWBRGWHBSW-CYBMUJFWSA-N 344.827 3.575 0 1 EHAF COC(=O)c1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cn1 587085688 AZXFQIIVYXINFS-UHFFFAOYSA-N 338.754 3.613 0 1 EHAF OCCc1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120778 VLAIIWMLGWCWQW-UHFFFAOYSA-N 346.312 3.660 0 1 EHAF COc1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2n1 587133676 ZEAWODDFJUHNLJ-UHFFFAOYSA-N 340.141 3.643 0 1 EHAF Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587276012 JCKQFAZBYFWEMP-UHFFFAOYSA-N 346.180 3.622 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ncc(Cl)cc13)O2 587380860 XMTDTOUPSZSDNI-HNNXBMFYSA-N 327.771 3.813 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4ncc(C)cc14)[C@@H](C2)C3=O 587439034 UGBUFPKATYWVSJ-XOBRGWDASA-N 334.375 3.543 0 1 EHAF Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587527053 SVZMOPFWVKNRAH-NRFANRHFSA-N 333.387 3.687 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1nc2c(F)cccc2s1 587651840 FTEYSMPARGAUSX-UHFFFAOYSA-N 331.759 3.788 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(CSC3)C2)N1 587853963 BVIRNZCUUZBXJJ-SECBINFHSA-N 342.277 3.845 0 1 EHAF CCCc1cc(N=c2cc[nH][nH]2)n2nc(C)c(-c3ccccc3)c2n1 621432754 QCDAYLCAPQKLHJ-UHFFFAOYSA-N 332.411 3.546 0 1 EHAF O=C([C@H]1Cc2ccccc2[C@@H](c2cc3ccncc3o2)N1)C(F)(F)F 962771082 VAQPFVFKJAGYEV-CJNGLKHVSA-N 346.308 3.563 0 1 EHAF Cc1sc2c(c1C)CCN[C@@H]2c1nc(Br)cs1 963014811 VIOZTPHLKANYPI-JTQLQIEISA-N 329.288 3.819 0 1 EHAF COCCNC(=O)c1sc(-c2cccc3ccccc23)nc1C 1772585982 BAVZCUNVZZDWDR-UHFFFAOYSA-N 326.421 3.648 0 1 EHAF OCCCc1nc(-c2ccc(F)cc2)c(-c2ccnc3[nH]ccc23)[nH]1 1772607994 XOGIWVYJWYLFOL-UHFFFAOYSA-N 336.370 3.684 0 1 EHAF COc1ccc([C@@H](O)c2nc(-c3cccc(C(=O)O)c3)cs2)cc1 61906476 XBPPWZNRKPGGIR-MRXNPFEDSA-N 341.388 3.599 0 3 EHAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1/C=C/c1ccccc1 228951 SKCGRONYIUHFHF-HOYGLKINSA-N 327.380 3.654 0 1 EHAF CC[C@H](C)c1nc2nc(N3C[C@H](CC)CC[C@@H]3C)ccc2[nH]c1=O 2497958 KOLXOSRVQZHDQO-MELADBBJSA-N 328.460 3.847 0 1 EHAF O[C@]1(c2ccc(Cl)cc2)c2cc3ccccc3cc2C2=NCCN21 13491116 UEQXHKUXJZQGHV-HXUWFJFHSA-N 334.806 3.762 0 1 EHAF COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccccc2)C3)cc1 21639474 MDFZDNPCUKLBDB-UHFFFAOYSA-N 346.434 3.787 0 1 EHAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@@H]1c1ccccn1 26504725 UWJFTXWDHBHQIR-PQMNFKMDSA-N 344.411 3.529 0 1 EHAF CCOC(=O)NCCC[C@@H](C)Nc1cc(OC)cc2cccnc12 43076947 ZJVMXQCVHDVEQV-CYBMUJFWSA-N 331.416 3.570 0 1 EHAF CC[C@H](O)COc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2 73223282 PZONYCWNCPPYJG-SFHVURJKSA-N 345.483 3.548 0 1 EHAF CCOC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 103283891 YAQRLZQYOQZQDV-UWUNEBHHSA-N 330.472 3.740 0 1 EHAF C[C@H](Nc1nccc(N2CCOC2=O)n1)c1cccc2ccccc12 142052486 XPFPRLMFRGYBCN-ZDUSSCGKSA-N 334.379 3.760 0 1 EHAF O=C(Cc1ccc(Oc2ccccc2)cc1)N[C@@H]1COc2ncccc21 146486447 AQNCXAZPEZPUIL-LJQANCHMSA-N 346.386 3.666 0 1 EHAF Clc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1ncccn1 166964282 SEANYVJLSLSZBM-UHFFFAOYSA-N 338.758 3.937 0 1 EHAF CC(C)[C@H](CO)NCc1nc(C2CCC(F)(F)CC2)ccc1F 204412008 MBGPFEMOPBAIQD-INIZCTEOSA-N 330.394 3.620 0 1 EHAF C[C@H](NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F)[C@@H](C)O 204420587 NTFWRHSZUUKNBH-WDEREUQCSA-N 342.336 3.765 0 1 EHAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1 253635383 XVOOTZXSASFQRD-CPUWWCNISA-N 333.431 3.879 0 1 EHAF Cc1ccc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)cc1 299836177 MDXUJOZYXYCXET-UHFFFAOYSA-N 341.388 3.647 0 1 EHAF Oc1cccc2c1OCC(c1nc3c(Br)cccc3[nH]1)=C2 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GNILXZPCSKEMCV-DJJJIMSYSA-N 328.314 3.563 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCn1cccc12 587589016 SWSPABWHPUYAQD-GHTZIAJQSA-N 347.370 3.845 0 1 EHAF CCCOc1cccc(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 587778576 NLHKVRPAUXNBEG-UHFFFAOYSA-N 337.423 3.644 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(C)s1 587864577 PJRUNBVNCVBWBU-UHFFFAOYSA-N 340.330 3.727 0 1 EHAF Cc1ccc2c([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)c(C)[nH]c2c1 962919618 JYLJFNKOTATVTF-QFBILLFUSA-N 338.382 3.612 0 1 EHAF Cc1ccc2c([C@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)c(C)[nH]c2c1 963036599 UKHXJHPSWGSBNA-FPTDNZKUSA-N 345.446 3.927 0 1 EHAF CCCCCC(=O)OCCCC[C@H]1C[C@H]2CC[C@H]3C[C@@H](C)N=C(N1)N32 1772577954 FVASSAAZWIRTDK-VSZNYVQBSA-N 349.519 3.623 0 1 EHAF CC(=O)OCc1ccc(-c2cc(-c3ccc4c(c3)OCO4)no2)cc1 1772601507 WPBKMESXVMKACU-UHFFFAOYSA-N 337.331 3.800 0 1 EHAF CC(C)c1ccc(-c2ccc(NC3CCNCC3)c(C(N)=O)c2)cc1 1857630051 GWULPVSNHMHGDV-UHFFFAOYSA-N 337.467 3.740 0 1 EHAF Cc1cc(CO)c2c(c1)OC(=O)c1c(ccc3c1OC(C)(C)C=C3)O2 2356324401 IGYLHMXSGVPMKZ-UHFFFAOYSA-N 338.359 3.996 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1[C@](C)(O)[C@H](O)C[C@@H]2C(C)(C)CCC[C@]12C 2356381798 ZHIYNJZBJDWRKG-AFJOWOCMSA-N 338.488 3.762 0 1 EHAF O=C(O)CN1C(=O)S/C(=C\c2cc3ccccc3cc2Cl)C1=O 13782027 FCKKRRWKZHYYFY-QPEQYQDCSA-N 347.779 3.614 0 1 EHAF CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCCC[C@@H]1C 20900819 OCWXKTILNSVBCS-AWEZNQCLSA-N 332.469 3.651 0 1 EHAF CCc1cc2cc(N3C[C@@]4(CN5CCC4CC5)OC3=O)ccc2s1 34043067 WZLZHMHKCMOOCI-LJQANCHMSA-N 342.464 3.885 0 1 EHAF Cc1n[nH]c(C)c1CC(=O)NCc1cccc(C(F)(F)F)c1Cl 58650849 GCRIEUSFCUFEPY-UHFFFAOYSA-N 345.752 3.558 0 1 EHAF CCCCOCCCNC(=O)c1csc(Nc2ccccc2)n1 82086290 UZNIJQGQKBHBTI-UHFFFAOYSA-N 333.457 3.823 0 1 EHAF CC(C)CCN1Cc2cc(/C=C/CO)ccc2N[C@@H](CC(C)C)C1=O 95581677 PKRRUXRERGMYKC-XJDXJNMNSA-N 344.499 3.907 0 1 EHAF CC[C@H](C)[C@@H]1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 169343370 WNNARJAEGCXIMV-CBAPKCEASA-N 331.195 3.858 0 1 EHAF COc1ccc2c(c1)cc1n2CCN2C(=O)c3cc(C)ccc3N(C)[C@H]12 221967257 LAIXHJXNHYKXRP-FQEVSTJZSA-N 347.418 3.563 0 1 EHAF CC(=O)[C@H]1[C@H](O)C[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255209113 FGDFFHLIMDMCJI-XPLGRLSMSA-N 334.500 3.566 0 1 EHAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc3ncccc3c2[nH]1 587043688 UFJIDQVDQBKXHW-AWEZNQCLSA-N 340.452 3.731 0 1 EHAF Oc1nncc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587062592 HEYTZDRPBJGIBF-UHFFFAOYSA-N 336.782 3.970 0 1 EHAF Fc1cc2c(c(Cc3nc4cc(Cl)cc(F)c4[nH]3)c1)OCOC2 587171519 NWFOLVONUDSXJK-UHFFFAOYSA-N 336.725 3.952 0 1 EHAF CCOc1cc(OC)ccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400842 RVXHMXBXNOZZHO-FQEVSTJZSA-N 341.407 3.865 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)c(N)c1)[C@@H](C2)C3=O 587420970 JXQPHTMRIOTVPC-SGTLLEGYSA-N 329.783 3.594 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)O)cc1Cl)[C@@H](C2)C3=O 587421003 KHQIAAVUOHZDCY-YVEFUNNKSA-N 344.750 3.536 0 1 EHAF CCOC(=O)C(CC)(CC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440279 FWHSGBASBVADJF-KUHUBIRLSA-N 346.423 3.571 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H]([C@H](CC)CCC(=O)OC)CC2=O 587476439 COVMHOXLKXRVNC-SJKOYZFVSA-N 334.412 3.658 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2 587480070 FCHZRPLBDMMDLR-SFVQPNDDSA-N 342.435 3.620 0 1 EHAF CCOC(=O)/C(=C/N(C)C)c1[nH]c2ccc(F)c(Cl)c2c1CC 587630655 ODAYHDWLVKTSGV-PKNBQFBNSA-N 338.810 3.988 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2)N1 587777768 JNSZUYGACOYOPD-HWPZZCPQSA-N 335.220 3.781 0 1 EHAF Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C 587791401 LWPAJDKSBZDTMZ-UOWDBTKRSA-N 338.224 3.552 0 1 EHAF CC[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810517 CYZJTXRELNVBQA-DUZHOBMZSA-N 342.252 3.953 0 1 EHAF CC(=O)[C@@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587811794 HNKQVWVFKAFLOS-QLJPJBMISA-N 342.252 3.953 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H]2CCOC2)N1 587834349 KZZHFMBNRQNDCX-FTGAXOIBSA-N 328.225 3.590 0 1 EHAF CC[C@]1(c2ccccc2OC(F)F)NCCc2c(C(=O)O)cccc21 963136119 YIGFCYOYIZXJMP-IBGZPJMESA-N 347.361 3.786 0 1 EHAF COc1cc(OC)cc(Oc2nc(=NC(C)C)[nH]c3ccsc23)c1 1857607023 XJDRVECWZAQZSY-UHFFFAOYSA-N 345.424 3.743 0 1 EHAF COc1ccccc1-c1cccc2c(O)c(C(=O)NCC3CC3)ncc12 1911581886 MDWOOGIGVUQNJT-UHFFFAOYSA-N 348.402 3.756 0 1 EHAF Cc1ccc2c(c1)N(CC(=O)c1cccc(Cl)c1)C(=O)[C@H](C)O2 1328390 FILUZDUKTHBOIP-LBPRGKRZSA-N 329.783 3.645 0 3 EHAF CCCN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccccc1OCC)C2 1369982 ZJDIMJHGWXGDLC-IRXDYDNUSA-N 330.472 3.611 0 3 EHAF O=C(NCc1ccncn1)c1ccc2nc(C3CCCCC3)oc2c1 11661726 DUUSJSGOCOYCJA-UHFFFAOYSA-N 336.395 3.596 0 1 EHAF CC1(C)Oc2ccc(C3CCCC3)cc2[C@H](N2CCCC2=O)[C@@H]1O 26820114 RLKILJGWRBQGQV-OALUTQOASA-N 329.440 3.540 0 1 EHAF C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1 28652204 QGUPDXLZKDANGO-QKKBWIMNSA-N 337.419 3.505 0 1 EHAF CCOC(=O)/C(=C/Nc1cc(F)cc(F)c1)c1ccc(OC)cc1 28714124 KLVIRDXFGUEWDX-GZTJUZNOSA-N 333.334 3.990 0 1 EHAF CC(C)O[C@@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)CC1 73196040 KJTAHLILNTWYHQ-CHWSQXEVSA-N 327.222 3.552 0 1 EHAF CC(=O)c1cccc(Nc2nc3cc(C(N)=O)ccc3n2C(C)C)c1 82191531 YQCJEZAZQZNQAG-UHFFFAOYSA-N 336.395 3.662 0 1 EHAF CC(=O)N(C1=NN(C(C)=O)[C@H](c2cccs2)S1)c1ccccc1 169338342 MTVFMOYBCABUSM-HNNXBMFYSA-N 345.449 3.666 0 1 EHAF O=c1c(-c2cccc3ccccc23)cc2c3c(ccc2n1O)OCO3 299818571 BALPCQUIPNNKID-UHFFFAOYSA-N 331.327 3.788 0 1 EHAF CCOCc1ccc(-c2nc3ncc(Br)c(C)c3[nH]2)o1 586902192 CMYOXBGVFAJGMW-UHFFFAOYSA-N 336.189 3.825 0 1 EHAF Cc1c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)oc2c1[C@H](O)CCC2 586905477 QLYIMSKYLBKAAB-SNVBAGLBSA-N 337.301 3.915 0 1 EHAF C[C@H](Sc1ncccn1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586963256 YZBYUDBQFFJVFZ-LURJTMIESA-N 326.212 3.908 0 1 EHAF COc1cc(OC)c2[nH]c([C@@H](CN)Cc3ccc(Cl)cc3)nc2c1 587069194 FRGDKZRYRMYOQO-GFCCVEGCSA-N 345.830 3.519 0 1 EHAF CC[C@H](Oc1ccccc1F)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587155022 IJUCXBRGKCLQPN-AWEZNQCLSA-N 326.331 3.814 0 1 EHAF Fc1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1F 587178269 YIINCQBINPIVQO-UHFFFAOYSA-N 328.091 3.805 0 1 EHAF CN[C@@H](c1cccnc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587220999 FBGHPWLRGHUGJG-LBPRGKRZSA-N 340.736 3.939 0 1 EHAF N[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C1CC1 587255956 WGPQBYRYYCIAKG-SECBINFHSA-N 334.139 3.754 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1CCc1ccncc1)O2 587389372 HXKFWTBZTZOZHF-FQEVSTJZSA-N 347.418 3.723 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccccn3)n1)O2 587413417 NJZALPFYPZVVMQ-INIZCTEOSA-N 337.404 3.802 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCc4c1ccc(F)c4F)[C@@H](C2)C3=O 587428943 RAXXMPIMHIJJBV-ORAYPTAESA-N 328.314 3.563 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(C)nc4sc(C)cn14)[C@@H](C2)C3=O 587454151 VFLAKJBGKCGJTL-YVEFUNNKSA-N 340.404 3.510 0 1 EHAF COC[C@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587796322 UBKYAIZZYFSDAK-QLJPJBMISA-N 342.252 3.764 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@H]2CCCOC2)N1 587834553 LHVSQQYINCIRSD-JTNHKYCSSA-N 342.252 3.980 0 1 EHAF COc1cc([C@@H]2NCCc3c2c(C(C)C)nn3C)ccc1OC(C)C 962904061 AUSBDKOXOMCNOJ-FQEVSTJZSA-N 343.471 3.574 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1c(C)ccc(C)c12 962943310 GPEUVUQZTREPJI-JLCFBVMHSA-N 345.446 3.905 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1c(C)ccc(F)c12 962961275 WRDYQUQEVMNAJB-XUSGNXJCSA-N 349.409 3.735 0 1 EHAF COc1ccc([C@@H]2NCCc3c(OC)ccc(Cl)c32)c(OC)c1 963256806 FTKHSSPUNOBNTK-SFHVURJKSA-N 333.815 3.601 0 1 EHAF CC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CCC(C)(C)C)CC1 61936141 XIKKLTHWXDMFRI-DOTOQJQBSA-N 339.593 3.739 0 3 EHAF COc1ccc(OC)c(CCC(=O)c2cc(OC)ccc2OC)c1 2507556 RKQGBJGWGDXNSE-UHFFFAOYSA-N 330.380 3.537 0 1 EHAF biogenic,in-vitro CC(C)(NC(=O)[C@@H](Br)C(C)(C)C)c1ccc(O)cc1 4655186 RWGOIUJFOUERJO-GFCCVEGCSA-N 328.250 3.553 0 1 EHAF biogenic CC[C@H]1C[C@H]2C[C@H](C(=O)OC)c3[nH]c4ccccc4c3CCN(C1)C2 6424652 OXTRSDFIRKYKEX-MPGHIAIKSA-N 340.467 3.719 0 1 EHAF biogenic O=C(Cc1ccc2c(c1)CCCC2)N1CCCC[C@H]1CN1CCCC1 13738792 HCHVSAQXSFUJLD-NRFANRHFSA-N 340.511 3.585 0 1 EHAF C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCCC21OCCO1 28524623 QVHBWRWKGYSOAM-IBGZPJMESA-N 340.398 3.884 0 1 EHAF CC(=O)Oc1c(C)ccc(C)c1/C=C\C(=O)N(C)Cc1ccccc1 29480932 SWSPBELGRFTVIK-SEYXRHQNSA-N 337.419 3.901 0 1 EHAF Cc1cccc(C[C@H](CC(=O)O)NC(=O)c2ccc3ccccc3c2)c1 49087633 LDUFWTJAUGDLSR-HXUWFJFHSA-N 347.414 3.964 0 1 EHAF in-vivo CCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(C)n2n1 72171084 YBNXQVZVNNLQFN-UHFFFAOYSA-N 341.411 3.519 0 1 EHAF COc1ccc(C(N)=O)cc1/C=C/c1ccccc1OC(F)(F)F 73199474 KYVJAMMNOKPXJJ-VOTSOKGWSA-N 337.297 3.863 0 1 EHAF CC[C@@H](C)c1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231688 YZEGVKBKEDNAEA-FMKPAKJESA-N 340.471 3.991 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@H]2CC[C@H]1N2C/C=C/CF 101358298 XZWRXMFAFBSAJC-LBSSEHPESA-N 331.431 3.630 0 1 EHAF O=C(NCc1ccc2c(c1)OCO2)c1nc2cc(Cl)ccc2s1 473248786 QPXNMNRIUIKZGP-UHFFFAOYSA-N 346.795 3.608 0 1 EHAF Nc1cc(F)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1N 587135703 BEUKAINGDPJNFV-UHFFFAOYSA-N 328.244 3.691 0 1 EHAF Fc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)nc3[nH]1)O2 587174658 QWRXULMMGXCYQK-NSHDSACASA-N 334.148 3.536 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@]3(C(=O)O)CC[C@@]1(C)C3(C)C)O2 587403012 BTECBNGRWRLWAN-XUVXKRRUSA-N 343.423 3.582 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(-n4cccc4)c1)[C@@H](C2)C3=O 587429989 FGDXREKVCFSYTB-UWJYYQICSA-N 331.371 3.975 0 1 EHAF Cc1c([C@@H](C)CN(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 587623110 LBAYGXFRTIFQQX-QMMMGPOBSA-N 335.249 3.780 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)F)N1 587703892 HMOVXKIMGGYABO-KGFZYKRKSA-N 326.131 3.900 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COC2(C)C)N1 587835686 XRCFLCKXLWKLRS-PSLIRLAXSA-N 326.209 3.640 0 1 EHAF COc1ccc2c(c1)[C@]1(CCCN3CCCC[C@H]31)N(C(C)C)CC2 962086849 DGSNXFFTVBMEEF-SFTDATJTSA-N 328.500 3.805 0 1 EHAF O=C(O)c1ccc2c(c1)[C@]1(CC2)c2ccc(F)cc2C[C@@H]2CCCN21 963106813 NTLGXKVLPQKXSO-UWJYYQICSA-N 337.394 3.734 0 1 EHAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1NCCc2cccc(Cl)c21 963392422 ZSTQQMLUNQKMBH-GDBMZVCRSA-N 336.863 3.926 0 1 EHAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C)c3)C2)cc1 1772593624 VZZPULOFDJIFDU-KKSFZXQISA-N 338.451 3.850 0 1 EHAF CC1([C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)NN1 1857538707 JHDIOWXROSUEFV-DSWGTCOTSA-N 330.516 3.750 0 1 EHAF COc1cc2c(cc1OCCCN1CCCC1)NC(=N)C21CCCC1 1857558665 VUIKWDIDFZKLCE-UHFFFAOYSA-N 343.471 3.774 0 1 EHAF O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@H](C(F)(F)F)C1 1857614541 IAKCKNSKGAFCTC-LURJTMIESA-N 328.117 3.723 0 1 EHAF CC1(C)O[C@H]2C[C@H]3C(=C[C@]21O)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]31C 1857634495 ZZDKJSKHOPFHTQ-FMLPJPNWSA-N 334.456 3.532 0 1 EHAF Oc1nc2cc3c(cc2cc1-c1nc2cc(Cl)ccc2[nH]1)OCO3 1857772197 PPXHZYYBXJHHML-UHFFFAOYSA-N 339.738 3.866 0 1 EHAF CN[C@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356380997 XPNRCGMIWMADDB-DAZCTYKZSA-N 347.543 3.505 0 1 EHAF COc1ccc(C2=NO[C@@](C)(c3nnc(Cc4ccccc4)o3)C2)cc1 12726744 WVCJAKCDJWLINL-HXUWFJFHSA-N 349.390 3.709 0 3 EHAF C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CCN1CCc1ccccc1 61906286 WMASXCZQKXLHSQ-QFIPXVFZSA-N 345.446 3.880 0 3 EHAF COc1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2ccc(F)cc2)cc1 199729792 FSYNEBLUNBTBRM-GOSISDBHSA-N 337.354 3.616 0 3 EHAF CCCCCC(=O)N[C@H]1CCCCN(Cc2ccccc2C)C1=O 200049471 WNTHWAGZYDREIA-SFHVURJKSA-N 330.472 3.573 0 3 EHAF CCN1c2ncc(Cc3ccccc3)cc2C(=O)N(C)c2cccnc21 5842379 VSEYNHJGEGEYBA-UHFFFAOYSA-N 344.418 3.815 0 1 EHAF Cc1c(CSc2cccc3ccccc23)cnc2nc(N)nc(N)c12 5891537 ZHWDUKIUIZWUMD-UHFFFAOYSA-N 347.447 3.943 0 1 EHAF CN(C)c1ccc(-c2cc3ncccc3c(NCCCCN)n2)cc1 13489178 SBGMPUIVPOGTGN-UHFFFAOYSA-N 335.455 3.514 0 1 EHAF CC1(C)C=C(n2ccccc2=O)c2cc(Br)ccc2O1 13795437 SDTCDFNORNAGDY-UHFFFAOYSA-N 332.197 3.671 0 1 EHAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CC=C[C@H]2[C@@]1(C)CCC1=CC(=O)OC1 14928354 XVTYNOXQGXBEAH-UNGRWJMUSA-N 330.424 3.889 0 1 EHAF biogenic O=C(O)[C@@H]1Cc2cc3c(-c4cccc(F)c4)noc3c(Cl)c2O1 25976885 TXTVKSJYASPLGA-NSHDSACASA-N 333.702 3.675 0 1 EHAF CN(C)C(=O)N1Cc2cc(Cl)ccc2[C@@H](c2cccc(O)c2)C1 28572589 NTIXMOSJPWCFFC-QGZVFWFLSA-N 330.815 3.675 0 1 EHAF Cn1c(-c2ccc3c(c2)OCO3)cc2onc(-c3ccccc3)c2c1=O 28879057 OVMZTCWKQUHSEH-UHFFFAOYSA-N 346.342 3.589 0 1 EHAF c1ccc2c(c1)O[C@@H](N1CCCC1)c1cnc(N3CCCCC3)nc1-2 29208337 COAILOKYNHYDRT-LJQANCHMSA-N 336.439 3.621 0 1 EHAF Clc1cccc(-n2nnnc2N[C@@H]2COc3ccccc32)c1Cl 35846084 CXQYQQWAWYAFEE-LLVKDONJSA-N 348.193 3.515 0 1 EHAF CN1CC[C@@H]2[C@H](CCC[C@@H]2NC(=O)c2ccc(C(F)(F)F)cc2)C1 40656213 VAZHUCJZNBKCDN-BMFZPTHFSA-N 340.389 3.556 0 1 EHAF Cc1cccc(N2C(=O)CS[C@H]2c2c(Cl)cncc2Cl)n1 73157177 IECKWJKZQJDEOK-AWEZNQCLSA-N 340.235 3.870 0 1 EHAF CCCCNc1ncc(C(=O)N2CCCC2)c(-c2cccc(C)c2)n1 82145538 PMDOVGQWIFBNTH-UHFFFAOYSA-N 338.455 3.900 0 1 EHAF O=C1N=Nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc21 95920846 RURYGRIJIZXNQD-UHFFFAOYSA-N 326.319 3.696 0 1 EHAF in-vitro Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4nnc(C)n4C=N[C@H]32)cc1 98085185 VYPIWPLPCKAJIY-PMACEKPBSA-N 341.418 3.756 0 1 EHAF CCCC1=Nc2ncnn2[C@H](c2sccc2C)/C1=C(\O)OCC 101963059 PDUQIBRCGFPGER-UESPBHMZSA-N 332.429 3.930 0 1 EHAF CCO[C@H](C(=O)NC)c1cccc(COc2cc(C)ccc2C)c1 103177240 FBBNJJARAJXOHA-IBGZPJMESA-N 327.424 3.706 0 1 EHAF CC(C)n1cc(-c2cc(-c3ccc4c(ccn4C)c3)cnc2N)nn1 142670017 FZKOFIRZDRGWHN-UHFFFAOYSA-N 332.411 3.662 0 1 EHAF CCCCC[C@@H]1/C=C/[C@@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 169290116 BJXHXZDHQUYRMA-FIOBKZEWSA-N 334.456 3.731 0 1 EHAF C[C@@H]1CC[C@]2(C)[C@H](CCC[C@]23CO3)[C@@]1(C)CC/C(=C/C(=O)O)CO 238758604 KNYPFBUQFMDBJP-UTEPINOPSA-N 336.472 3.782 0 1 EHAF COc1cc2cc(c1O)-c1cc(ccc1O)CCC[C@@H](O)CCC2 238772910 VXLULRMELQNOHT-OAHLLOKOSA-N 328.408 3.793 0 1 EHAF CC1=CCC[C@@]2(C)O[C@@H]2C[C@@H]2[C@H](CC(C)=CCC1)OC(=O)[C@]21CO1 299815738 SWHGBMUHMUIWRO-DSJDWBEOSA-N 332.440 3.701 0 1 EHAF O=C(O)c1cc2c([nH]c3ccccc32)c(-c2cccc3c2OCO3)n1 299865890 OGPTWZRIFWJFRZ-UHFFFAOYSA-N 332.315 3.810 0 1 EHAF OCCN1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1 473118039 KJENGQHGPDRMLH-LJQANCHMSA-N 326.827 3.761 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cncc(Cl)c2[nH]1 586918134 WPBYPCIDTIBIKS-KZULUSFZSA-N 341.798 3.828 0 1 EHAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cccc(C)c2[nH]1 586973054 MOIBBLFVBRWHPU-QGZVFWFLSA-N 339.464 3.982 0 1 EHAF Cc1c(F)ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c12 587041018 SVYSXSCLNKJWOY-LBPRGKRZSA-N 337.420 3.993 0 1 EHAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587041837 GSOGLDAYIJNVSP-SECBINFHSA-N 343.374 3.600 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587425010 ZZBJWPVXKMZPMN-LIRRHRJNSA-N 346.329 3.959 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC(C)C)(C(=O)OCC)CC2=O 587476950 BWOYZTMCPJFTOR-IBGZPJMESA-N 334.412 3.658 0 1 EHAF NC(=S)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532081 KYBJHWPZMZJKCF-HXUWFJFHSA-N 337.444 3.712 0 1 EHAF O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@@H]1c1ccccn1 653681812 WREUMGOBADOOMR-LJQANCHMSA-N 346.386 3.827 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3nc(O)[nH]c3c2)N1 962963813 XEGSVSBUMSCJNG-SGTLLEGYSA-N 332.407 3.764 0 1 EHAF CCN1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 1911580928 SAJIVNDJTARWAW-QGZVFWFLSA-N 345.240 3.813 0 1 EHAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC(=CCO)CO 2356558904 PMZIYJMAYWHWNG-IXMYUCAJSA-N 336.472 3.541 0 1 EHAF C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(C2CCCCC2)o1 1356117 NMXYKASOGGHWSV-CHWSQXEVSA-N 337.489 3.999 0 3 EHAF CC[C@@H](NCCCn1cnc2c(SC)ncnc21)c1ccccc1 61922442 AIZBVKQYSGOEDU-OAHLLOKOSA-N 341.484 3.679 0 3 EHAF CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C2CCSCC2)C1 12030946 WJPSIKKYKVFPKB-HXUWFJFHSA-N 347.524 3.770 0 1 EHAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)CC[C@H](c2ccccc2)O3)S1 26976740 VIWRFPMUWAORQS-WBVHZDCISA-N 339.416 3.647 0 1 EHAF C=Cc1ccc(C(=O)c2c(SC)cc3n2CC[C@H]3C(=O)O)cc1 28225623 ZMPJVEFCSNYZAG-CYBMUJFWSA-N 327.405 3.656 0 1 EHAF CC(C)c1ccc(NC(=O)c2c(NCc3ccncc3)ncn2C)cc1 28889205 CEDYKRBCAXLBBQ-UHFFFAOYSA-N 349.438 3.803 0 1 EHAF CO[C@@H]1Cc2ccccc2[C@]2(CCCN(CCc3ccccc3)C2)O1 45258709 MPYFPWRZHBPIGT-FCHUYYIVSA-N 337.463 3.766 0 1 EHAF COC(=O)c1sc2cc(-c3ccc4ncccc4c3)cnc2c1N 66259500 HRVMTSQRFZEWPP-UHFFFAOYSA-N 335.388 3.880 0 1 EHAF COc1cc2c(ccn2-c2ccc3ncncc3c2)c(OC)c1OC 72112044 KCBOZCPKSLJQTQ-UHFFFAOYSA-N 335.363 3.600 0 1 EHAF O=C(Nc1ccc(Br)cc1)n1sc2ccccc2c1=O 96271392 CIUKOQMRXBMWBM-UHFFFAOYSA-N 349.209 3.906 0 1 EHAF O=C(Nc1ccc([C@H]2CCNC2)cc1)OCCc1cc(F)ccc1F 117722214 ZUHSZYHIYSSYLY-HNNXBMFYSA-N 346.377 3.833 0 1 EHAF C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3ccon3)nc2s1 118592687 FZSKZZJPMPFQAW-PHIMTYICSA-N 343.456 3.691 0 1 EHAF CC(=O)[C@H]1CC[C@@]2(O)[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 211165649 ZEOCGHDOLCNYDA-JRBOJVLQSA-N 328.452 3.614 0 1 EHAF CC(=O)c1cccn1CCCN1CCN(c2cccc(Cl)c2)CC1 473118042 KKUMMCPSRGUQEG-UHFFFAOYSA-N 345.874 3.556 0 1 EHAF Cc1csc([C@@](O)(Cc2nc3cccc(C)c3[nH]2)C(F)(F)F)n1 587093792 GVXPJURSUSOVLC-AWEZNQCLSA-N 341.358 3.629 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(CCc1n[nH]c4ccccc14)[C@@H](C2)C3=O 587439099 JHEXNLGWEJVGNG-YCRPNKLZSA-N 348.402 3.710 0 1 EHAF Cc1[nH]c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O 587523054 GJJFCNDCGJHUBF-KRWDZBQOSA-N 325.364 3.607 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cccnc12 587590002 ZDWBPXYNLKEKPC-UTKZUKDTSA-N 345.354 3.591 0 1 EHAF Cc1ccncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587776044 VTQVUEZELAHKQS-QLJPJBMISA-N 335.220 3.915 0 1 EHAF COc1ccoc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587826261 DYLBFVQSPRZQCM-RTHLEPHNSA-N 340.192 3.813 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(CNC(=O)OC(C)(C)C)N1 962954968 RJQVLOMCXRZSGB-XCLFUZPHSA-N 343.471 3.832 0 1 EHAF CC1=C(C)[C@]2(CC1)N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962969174 PTRSOFLFLDKNHW-LRDDRELGSA-N 327.758 3.543 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cccc(-n2cccn2)c1 963634676 LJPZNADFIBCQNG-QKKBWIMNSA-N 349.434 3.513 0 1 EHAF COc1ccc2c(c1)[C@](C)(CCCc1ccc(N(C)C)cc1)C(=O)N2 1772634816 YYSAZOBZJNCLGU-NRFANRHFSA-N 338.451 3.994 0 1 EHAF O=C(Nc1nccs1)c1ccc(OC(F)F)c(OCC2CC2)c1 1857642128 IOVOIXPKTKKFFG-UHFFFAOYSA-N 340.351 3.786 0 1 EHAF COc1nc2ccccc2nc1C(=O)Nc1nc2ccccc2s1 1857758120 NAMMVBWHPQPIKQ-UHFFFAOYSA-N 336.376 3.500 0 1 EHAF CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(C)cn2)ccn1 1857773021 LIKDYDWODKJNQN-UHFFFAOYSA-N 343.390 3.954 0 1 EHAF CC(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]21 2356417266 WIPNMFLFZURMNZ-VHMRMSABSA-N 344.451 3.975 0 1 EHAF COC(=O)C[C@]1(C)CCC[C@]2(C)[C@@H]3Cc4occc4C[C@H]3CC[C@]12O 2356713766 RJICMYVKEJSBBD-MIVQBHLGSA-N 346.467 3.895 0 1 EHAF Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)NC2CCCCC2)cc1F 1379654 FGLNJZFODHXRAS-QGZVFWFLSA-N 347.434 3.579 0 3 EHAF CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2ccncc2)cs1 61904886 TUTHUWWELODEFV-MRXNPFEDSA-N 345.374 3.709 0 3 EHAF O=C(NCCO)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1 1539558 QZMWFLQIUOTDQG-UHFFFAOYSA-N 346.839 3.695 0 1 EHAF COC(=O)c1c(C)cccc1[C@H]1CN=N[C@]12Cc1ccc(C)cc1C2=O 5539598 PAFFCZGLZIWCIM-DYESRHJHSA-N 348.402 3.817 0 1 EHAF C[C@@H]1CC[C@@]2(C)[C@@]3(CC[C@@]2(C)C(=O)O3)[C@@]12C[C@@H](c1ccoc1)OC2=O 5955778 LJUJJGHPDOTAAY-DBSKKIKSSA-N 344.407 3.786 0 1 EHAF biogenic CSc1ncc(C(=O)N[C@@H](C)c2ccccc2)c(C(F)(F)F)n1 6938331 IRQBFOVIBWGIEK-VIFPVBQESA-N 341.358 3.708 0 1 EHAF CC(=O)O[C@@H]1C(=O)N(c2cccc3ccccc23)[C@@H]1c1ccccc1 29318604 RVFARYZDHOFDPL-UXHICEINSA-N 331.371 3.859 0 1 EHAF CC(C)N1CC[C@@H](c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1 49125420 FHHGATHULHNWHK-MRXNPFEDSA-N 348.450 3.527 0 1 EHAF Cc1ccc(CN(C)c2ncnc3ccc(-c4ccc(CO)o4)cc23)o1 66114603 ODUOOEOQBXRCQO-UHFFFAOYSA-N 349.390 3.920 0 1 EHAF COc1cc(/C(=C/c2ccc(C)cc2)[C@H](C)O)cc(OC)c1OC 71329164 SBKPPRVVMDLJOG-FBJMNJBLSA-N 328.408 3.942 0 1 EHAF CCOC(=O)CC(=O)c1cn(C(=O)OC(C)(C)C)c2ccccc12 84670069 JFFOCDRLJGHXQF-UHFFFAOYSA-N 331.368 3.560 0 1 EHAF CCOc1n[nH]c(C(=O)O)c1Cc1cccc(-c2ccc(F)cc2)c1 95554942 PKOFXIKLSFCZSU-UHFFFAOYSA-N 340.354 3.904 0 1 EHAF c1cnc(Nc2cccc3[nH]ccc23)c(-c2ncnc3[nH]cnc23)c1 113240810 BIDVYSNCFCJUNQ-UHFFFAOYSA-N 327.351 3.640 0 1 EHAF C[C@@H](CCc1ccc2c(c1)-c1ccccc1S2(=O)=O)CC(=O)O 169321026 ZTYCTUXGWFRNDY-LBPRGKRZSA-N 330.405 3.543 0 1 EHAF CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1cccc(Cl)c1 169730664 HLYDMEIHQZSRIR-HOTGVXAUSA-N 345.782 3.726 0 1 EHAF C[C@@H]1[C@@H](NC(=O)CCCn2sc3ccccc3c2=O)CCC[C@H]1C 251965299 XVVPLYUIZYHCGQ-YCPHGPKFSA-N 346.496 3.784 0 1 EHAF CC1(C)Cc2c(-c3ccc(Cl)c(Cl)c3)n[nH]c2[C@@H](C(N)=O)C1 299869941 VRKIXSVGCUQESJ-JTQLQIEISA-N 338.238 3.925 0 1 EHAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586894206 YVRPYWUVMVRXLZ-BFUOFWGJSA-N 338.407 3.870 0 1 EHAF Cc1c(-c2nc3c(Br)cncc3[nH]2)oc2c1[C@@H](O)CCC2 586904943 DLQSEHZVIFOMBX-JTQLQIEISA-N 348.200 3.659 0 1 EHAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(F)c(F)c(F)c2[nH]1 587058683 ICDCBHSVESIYIV-JTQLQIEISA-N 325.721 3.876 0 1 EHAF FC(F)(F)c1cccnc1-c1nc2ccnc(Br)c2[nH]1 587107964 FTXNHHVMFPJHFX-UHFFFAOYSA-N 343.106 3.801 0 1 EHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 587241520 DZYQPARDGQQZMD-UHFFFAOYSA-N 337.379 3.913 0 1 EHAF CC(C)(C)c1ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2n1 587254588 OODHOWLAVNMMST-UHFFFAOYSA-N 344.422 3.792 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cnc[nH]1)(c1cccc(C)c1C)O2 587397487 WIIQFSORFVLPNW-NRFANRHFSA-N 347.418 3.826 0 1 EHAF O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587604787 YNFWTTHQXMBPLO-RXVVDRJESA-N 346.338 3.908 0 1 EHAF Cc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587772893 PMRUGEWPNFODCG-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF COC1=C[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587810715 LKRXKEMEEWNGIG-RFAUZJTJSA-N 326.209 3.642 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@]2(C)CCCO2)N1 587834169 QSKCQOSDUJEADV-UHNFBRDESA-N 342.252 3.907 0 1 EHAF Cc1c(F)ccc2c1[C@](c1cccc(F)c1)([C@@H](C)CC(=O)O)NCC2 962094862 TWPXYCHDBCEXQU-FKIZINRSSA-N 345.389 3.773 0 1 EHAF N=C(NO)c1cccc(/C=C/c2ccnc(-c3ccccc3O)c2)c1 1857552368 LSNJXCLQOPXVDI-CMDGGOBGSA-N 331.375 3.929 0 1 EHAF ClC1=C(Cn2cncn2)CSc2ccc(Br)cc21 1857655116 BLVKDQDLFVEEEC-UHFFFAOYSA-N 342.649 3.796 0 1 EHAF O=c1cc(-c2ccccc2)oc2cc(OC[C@H]3CS3)cc(O)c12 1857748779 SUPTYJMPLBBDGW-ZDUSSCGKSA-N 326.373 3.660 0 1 EHAF N=c1oc2c(O)cccc2cc1C(=O)Nc1ccc(C(F)(F)F)cc1 1911579241 PXHPXDYLMIZXSH-UHFFFAOYSA-N 348.280 3.889 0 1 EHAF CC(C)CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(CO)c3C[C@]2(C)[C@@H]1C 2356428867 AHYLUCJNWGSOAE-VXHCAWKWSA-N 348.439 3.521 0 1 EHAF CCC(CC)Sc1nc2cc(Cl)c(N3CCNCC3)cc2[nH]1 3308 IREAFUQXIISQHN-UHFFFAOYSA-N 338.908 3.907 0 1 EHAF CCCCc1nc2nc(N3C[C@@H](CC)CC[C@H]3C)ccc2[nH]c1=O 2499507 WGYVMLLGUFVUMP-KGLIPLIRSA-N 328.460 3.676 0 1 EHAF CC(C)[C@H]1CC[C@@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1 5442680 QTYCMDBMOLSEAM-CGTJXYLNSA-N 333.863 3.588 0 1 EHAF in-vitro NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 5731124 NQLCXYTUFCPSDN-UHFFFAOYSA-N 327.186 3.738 0 1 EHAF CC1=C(C(=O)NCc2ccc(Cl)cc2)C2(CCCCCC2)OC1=O 6933024 OWYJMZWUDUPPHI-UHFFFAOYSA-N 347.842 3.923 0 1 EHAF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2=O 14774353 BJDDFWYEMCOHPH-QEEYODRMSA-N 332.440 3.862 0 1 EHAF biogenic Cc1ccc([C@@]2(COC(=O)CC(C)C)CO2)c(OC(=O)CC(C)C)c1 15169446 OLBMFUJBQAYNKT-HXUWFJFHSA-N 348.439 3.761 0 1 EHAF biogenic CN(C)Cc1c2c(nc3ccccc13)-c1cc3ccccc3c(=O)n1C2 40408834 ASXUODGQRUMRDS-UHFFFAOYSA-N 341.414 3.640 0 1 EHAF C[C@H](C(=O)N(C)C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40499121 DVZKXLYXWWQKDT-QEJZJMRPSA-N 331.481 3.973 0 1 EHAF COc1ccc([C@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1N 45289611 ITOLSPXRTLZFDI-ZIAGYGMSSA-N 329.396 3.574 0 1 EHAF C[C@@H](CCCC(C)(C)O)[C@@H]1c2cc(C(=O)O)ccc2[C@H](C)C[C@@H]1O 59779369 MZFHFVCNGLTFGX-RUZGCFLTSA-N 334.456 3.914 0 1 EHAF O=C(O)C1CN([C@@H]2CC[C@]3(Cc4ccccc4Oc4ccccc43)C2)C1 64448821 IRGGYSVFJCBILG-VGSWGCGISA-N 349.430 3.842 0 1 EHAF CN(C)CCCNc1ccc2c(c1)-c1nccc3cccc(c13)C2=O 73312740 TWUSFVAUFFQXIK-UHFFFAOYSA-N 331.419 3.810 0 1 EHAF CCCCCNc1ncnc2c1nc(C(CC)CC)n2CCOC 82186891 ZCJULPJWFQBIJX-UHFFFAOYSA-N 333.480 3.978 0 1 EHAF C/C(Nc1cccc(-c2cnc3ccccc3n2)c1)=C1\CCOC1=O 96178018 OVYDXXKVYSACFG-SSZFMOIBSA-N 331.375 3.930 0 1 EHAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccc(F)c1 104115571 ZGQSSFSQESWYMJ-RIBQPWQFSA-N 330.363 3.699 0 1 EHAF O=C(O)CCc1c(C(=O)O)[nH]c2c(F)c(-c3ccc(F)cc3)ccc12 206118779 ZUQLLUKYIUOIIZ-UHFFFAOYSA-N 345.301 3.829 0 1 EHAF C[C@@]12OC[C@]34CC[C@@H]5[C@@H](CC[C@H]6C[C@@H](O)CC[C@@]65C)[C@]3(CC[C@H]14)O2 255226865 LMCSJIHQFRKFCW-GTMWBJJOSA-N 332.484 3.886 0 1 EHAF C[C@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)n1cc(Cl)cn1 587080791 YKWAJGCKFBVGBZ-SSDOTTSWSA-N 330.697 3.921 0 1 EHAF Clc1cccc(C2(c3nc4ccnc(Br)c4[nH]3)CC2)n1 587084684 QXLSITMRIXHUMP-UHFFFAOYSA-N 349.619 3.849 0 1 EHAF COc1cccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 587156026 KUZMNBZINIELSU-SFHVURJKSA-N 325.343 3.502 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](CN(C)C(=O)OC(C)(C)C)CC2=O 587467021 BPEIKZMALRABIA-GFCCVEGCSA-N 349.427 3.545 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)O)cs1)CC2=O 587495357 QHIAAEQCGUPUQT-GOSISDBHSA-N 346.404 3.985 0 1 EHAF Cc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586259 JRLLJOZAGAOSQU-PXNSSMCTSA-N 333.343 3.799 0 1 EHAF COc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(OC)c1O 587785548 NMPSUEQXMIIGSR-UHFFFAOYSA-N 340.166 3.655 0 1 EHAF O=C(O)c1cc(O)cc(-n2c(O)cc(-c3ccc(Cl)cc3)c2O)c1 587925441 HZMSXFWXGZTEMM-UHFFFAOYSA-N 345.738 3.613 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1snnc12 653700505 OEWQVGWBBFWSCJ-NRNRTASOSA-N 330.497 3.876 0 1 EHAF CN1C(=O)C[C@@H]2CN[C@@](C)(c3cc(Cl)ccc3F)c3cccc1c32 963017477 CRTNKOKHKXIPQN-NSPYISDASA-N 344.817 3.796 0 1 EHAF COc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1 1772607576 VSSZJFLPPDMKDF-UHFFFAOYSA-N 329.739 3.707 0 1 EHAF c1ccc(-c2nnn(CCCN3CCC[C@@H]3c3ccccc3)n2)cc1 1857573766 SDWBIENYPTTXPL-LJQANCHMSA-N 333.439 3.567 0 1 EHAF O[C@@H](CNCC1(c2cccs2)CCCC1)COc1ccccc1 1857758951 FHCZKYKTFYFREI-INIZCTEOSA-N 331.481 3.589 0 1 EHAF Cc1cc2c(s1)c1cnn(Cc3cc(F)ccc3F)c(=O)c1n2C 36380273 DPAGYWXMUXJENG-UHFFFAOYSA-N 345.374 3.585 0 3 EHAF CCCCN(C)C(=O)c1sc(=O)n(Cc2c(C)cccc2C)c1C 61907273 QEXYULUBRAZUST-UHFFFAOYSA-N 346.496 3.755 0 3 EHAF CC(C)CNC(=O)[C@]1(C)CCCN1C(=O)c1cc2ccccc2s1 61907712 DZZMMINDBRQENR-IBGZPJMESA-N 344.480 3.668 0 3 EHAF CNC(=O)c1cccc(NC(=O)OCc2cccc3ccccc23)c1 25904 PYRYTJVJEUFAJE-UHFFFAOYSA-N 334.375 3.948 0 1 EHAF CCC(=O)Nc1c(Cc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O 5886227 XNJVLUPVBPMIAL-UHFFFAOYSA-N 326.440 3.802 0 1 EHAF COc1ccc(/C(F)=C\c2cc(OC)c(OC)c(OC)c2)cc1O 6733326 MERONNUGBUIKIW-NTUHNPAUSA-N 334.343 3.894 0 1 EHAF CN1C[C@@H]2C[C@H](OC(=O)C(c3ccccc3)c3ccccc3)C[C@H]1C2 13446465 PCEDEEWEONTUHP-DBVUQKKJSA-N 335.447 3.844 0 1 EHAF C[C@H]1Oc2cc3c(c(O)c2C1(C)C)C(=O)C[C@@H](c1ccc(O)cc1)O3 14723729 MNHSEANWZYLOHY-YGRLFVJLSA-N 340.375 3.863 0 1 EHAF biogenic,in-vitro CN(C)CC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947032 QHHRPUJOBJAVFG-GKJHBJHPSA-N 341.495 3.939 0 1 EHAF Cc1nc(C)c(Cn2nnnc2-c2cccc(Cl)c2Cl)s1 34634543 QSKIVJZHDLOXDZ-UHFFFAOYSA-N 340.239 3.769 0 1 EHAF CN1[C@@H]2CC[C@@H]1[C@H]([C@@H](O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 169367641 FSULAQVXMVICFX-KJWHEZOQSA-N 333.781 3.830 0 1 EHAF Nc1ncccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986497 BMFNMTOWGGELQT-UHFFFAOYSA-N 339.354 3.796 0 1 EHAF COc1cc(OC)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 587016807 DYFNWQNIRQTZFU-UHFFFAOYSA-N 341.392 3.887 0 1 EHAF FC1(F)Oc2cc3nc([C@](F)(Cl)C(F)(F)F)[nH]c3cc2O1 587090438 QLYHEWAAHSRCJK-MRVPVSSYSA-N 332.587 3.808 0 1 EHAF O=C1CCc2cc3nc(-c4ncccc4C(F)(F)F)[nH]c3cc2N1 587108682 OVEQXYADXVVHPN-UHFFFAOYSA-N 332.285 3.528 0 1 EHAF Oc1nncc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587128570 OVNLJUDCHCFHTL-UHFFFAOYSA-N 345.334 3.787 0 1 EHAF Nc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1F 587139704 QVPWQILJJYPHFJ-UHFFFAOYSA-N 342.118 3.992 0 1 EHAF O=C(/C=C\c1nc2cc(F)c(F)c(F)c2[nH]1)Nc1ccc(F)cc1 587167519 TVEVXHPRLKURTI-WAYWQWQTSA-N 335.260 3.771 0 1 EHAF CCOC(=O)CNc1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 587223700 DMPGSSHQBVUMIR-UHFFFAOYSA-N 346.390 3.753 0 1 EHAF Nc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1CC(=O)O 587250332 RWLGWQFOBNFBIG-UHFFFAOYSA-N 336.178 3.746 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cn(C)c4ccc(F)cc14)[C@@H](C2)C3=O 587428452 ORKIRKWGMQNFCL-XOBRGWDASA-N 337.350 3.815 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC(C)(C)C)n1)[C@@H](C2)C3=O 587435476 HPOTVYCKICPAHK-ORAYPTAESA-N 339.391 3.756 0 1 EHAF CCN1CCCc2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 587445020 TVZKWSJTDDIGDK-VGOFRKELSA-N 349.430 3.956 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C)c1Cl)CC2=O 587463386 YLKZOEWFSNTXSP-AWEZNQCLSA-N 334.803 3.747 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)ccc1O)CC2=O 587477809 JJAOHGVMDKFGJN-SFHVURJKSA-N 328.364 3.765 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CCC)([C@@H](C)C(=O)OC)CC2=O 587478403 JODBQQLBTBVWAA-BUXKBTBVSA-N 334.412 3.658 0 1 EHAF CCCNC(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587865591 CESPUXMUNGNIAV-UHFFFAOYSA-N 341.333 3.935 0 1 EHAF CCNC(=S)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587867036 UPGLXARCDLHSIN-UHFFFAOYSA-N 343.374 3.710 0 1 EHAF Cc1cc2c(cc1F)[C@@](Cc1ccccc1)([C@H]1CCCNC1)NCC2 962298573 MYKPXGSPEJFIBW-SIKLNZKXSA-N 338.470 3.717 0 1 EHAF Cn1cccc1CN1CCc2sccc2[C@]12CCn1cccc1C2 962374270 OVXMMHBFUGHQOD-HXUWFJFHSA-N 337.492 3.788 0 1 EHAF Cc1[nH]nc2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)nc12 1772585675 JJIQBYGSBIHLSR-INIZCTEOSA-N 340.814 3.897 0 1 EHAF Cc1nn(Cc2nc3ccccc3n2CCCCO)c2ccccc12 1857630288 YQJWXIQIDRAIQZ-UHFFFAOYSA-N 334.423 3.515 0 1 EHAF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1CCOC(C)=O 2356636425 HZUGAURVSZWUCX-UZLBHIALSA-N 338.451 3.987 0 1 EHAF CC(C)(C)OC(=O)N1CC[C@H]2CCN(CCc3ccccc3)C[C@H]21 199267597 ZXPAKNNNSOJNPO-QZTJIDSGSA-N 330.472 3.560 0 3 EHAF C[C@@H]1CC(N2CCOCC2)=Nc2ccccc2N1Cc1ccccc1 5582937 QGUVCSSGIIJNRF-QGZVFWFLSA-N 335.451 3.848 0 1 EHAF CNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(C)cc1 6798924 PYZMQTMRHRWDFW-UHFFFAOYSA-N 326.421 3.996 0 1 EHAF O=C(NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)C1CCC1 11785801 VDBLERXAPLYKQB-MRXNPFEDSA-N 342.826 3.622 0 1 EHAF Cc1ccc2[nH]cc(CCNC[C@@H](O)c3cccc(Cl)c3)c2c1 13488810 VRHUIBDSYGGKJC-LJQANCHMSA-N 328.843 3.995 0 1 EHAF CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C 13672275 FFBUJODBLJEOGU-UHFFFAOYSA-N 327.380 3.719 0 1 EHAF CN[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 13902864 OHAWOWDKOKNZTD-QFIPXVFZSA-N 337.832 3.842 0 1 EHAF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1CCCCO1 27103800 AELLXJKOLLIMNZ-GDBMZVCRSA-N 337.427 3.569 0 1 EHAF O=C(c1ccc(Cl)cc1)c1cc(Cl)cc2c1OC[C@H]2C(=O)O 28005721 YZQHNYMRPNSWBE-CYBMUJFWSA-N 337.158 3.785 0 1 EHAF Cc1ccccc1-c1ncnc2c1[nH]c(=O)n2-c1c(C)cccc1C 28642743 BBXTUYGIGPBEDS-UHFFFAOYSA-N 330.391 3.701 0 1 EHAF COc1ccccc1CN1CCc2nc(N3CCCCC3)sc2C1 45369761 SNPAMIJGWGHGFM-UHFFFAOYSA-N 343.496 3.700 0 1 EHAF Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12 60325395 IZFFAYAQVHNZHH-IBGZPJMESA-N 333.435 3.860 0 1 EHAF O=C1c2ccccc2CC[C@]12[C@H]1c3ccccc3OC[C@H]1N1CCC[C@@H]12 64573556 GZOQNDZMIUGKQE-WQJYWUQFSA-N 345.442 3.825 0 1 EHAF COc1ccc(-c2nc(CNCCCN3CCCC[C@@H]3C)co2)cc1 72183305 ILMDRMDPWJIMLW-INIZCTEOSA-N 343.471 3.704 0 1 EHAF Cc1[nH]c2nc(-c3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)c2c1C 100830060 HLFGYAZPYDYTFN-IYBDPMFKSA-N 336.439 3.957 0 1 EHAF COc1ccc(C(=O)c2cc3cc(N)cc(OC)c3s2)cc1OC 103233949 JUOZYOPFNQQVJQ-UHFFFAOYSA-N 343.404 3.740 0 1 EHAF Oc1ccc(C(=S)N(Cc2ccccc2)c2ccccn2)c(O)c1 103294860 PAYYHYJMEQHDCL-UHFFFAOYSA-N 336.416 3.875 0 1 EHAF Cc1cc(CNCCC(C)(C)C)ccc1Oc1ccc(C(N)=O)cn1 164984396 ZQRSJYJPFBTANQ-UHFFFAOYSA-N 341.455 3.807 0 1 EHAF Cc1cc(=O)c2c(O)c(/C=C\C(C)(C)O)c3c(c2o1)C=CC(C)(C)O3 204939629 WGLVCQFLXGZZHQ-VURMDHGXSA-N 342.391 3.775 0 1 EHAF C[C@@H](CCO)CC[C@H]1[C@](C)(O)[C@@H](O)C[C@@H]2C(C)(C)CCC[C@@]21C 238738186 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3.934 0 1 EHAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)cnc2[nH]1 587233371 NSFBDFHXMWZOCL-QWRGUYRKSA-N 336.823 3.772 0 1 EHAF COC1=C[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351432 MTTGGLANQGREOV-QUCCMNQESA-N 340.350 3.953 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn3cc(C)cc(Cl)c3n1)O2 587383005 USWMFVUIRCKOSW-MRXNPFEDSA-N 341.798 3.893 0 1 EHAF COC[C@]1(c2cccc(Cl)c2F)CC(=O)c2cc(C)cc(N)c2O1 587387038 ZAOXEGHCZVUUSA-SFHVURJKSA-N 349.789 3.877 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cnn(C)c3c1)CC2=O 587482145 ZOUJLQOETZUNJN-IBGZPJMESA-N 336.391 3.938 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CCC[C@H](C1)N2C 587486737 LAUPGYJYJOEIIG-IKDJWVMYSA-N 329.440 3.695 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1F 587567602 HYHHCJBBWUQZOG-BEFAXECRSA-N 337.306 3.629 0 1 EHAF Cc1cccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585874 HBSOALCQUVVURZ-UTKZUKDTSA-N 347.370 3.973 0 1 EHAF CCOC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2cc(F)ccc12 587634577 KOZNXLLNGONVGK-UHFFFAOYSA-N 329.302 3.859 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccn2C)N1 587752123 BSZFEYJCCRGWBC-HWPZZCPQSA-N 337.236 3.724 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2)N1 587772703 GEDAVUUWCOIANF-QFYYESIMSA-N 335.220 3.781 0 1 EHAF CCCC(=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812804 KTHJFDJFWCKFQT-BJOHPYRUSA-N 328.225 3.707 0 1 EHAF COc1cccc(C)c1[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962702551 BAWLHDMJTXZEKK-RHSMWYFYSA-N 349.352 3.739 0 1 EHAF C[C@@H](NC(=O)OCc1ccccc1)[C@@H]1NCCc2cccc(Cl)c21 963391693 WWKQJDMPVVXQAS-ACJLOTCBSA-N 344.842 3.842 0 1 EHAF CCCCN(Cc1ccc(N(O)C=O)cc1)C(=O)Nc1ccccc1 1857746576 YYIKCNDRTKYPTG-UHFFFAOYSA-N 341.411 3.873 0 1 EHAF Cc1oc2ncnc(Nc3cccc(Br)c3)c2c1CO 1857773146 TYIIRQNCMDBKCN-UHFFFAOYSA-N 334.173 3.530 0 1 EHAF Clc1ncnc2c1C(c1ccccc1)c1c(Cl)ncnc1O2 5899979 JINNEFZBBKZJEI-UHFFFAOYSA-N 331.162 3.859 0 1 EHAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2Cc1ccc(F)cc1 6917794 KQECMODBARFILV-UHFFFAOYSA-N 347.393 3.898 0 1 EHAF Brc1cccc(-c2c[nH]c(SCCc3c[nH]cn3)n2)c1 13764190 GNCYNJXLFBHPFT-UHFFFAOYSA-N 349.257 3.897 0 1 EHAF c1ccc(-c2ccc(NCCN3CCc4ccccc4C3)nn2)cc1 13794288 JHNROXOROWGOAD-UHFFFAOYSA-N 330.435 3.614 0 1 EHAF CC(=O)Nc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1 13835588 ASJMGIDIRXYFDQ-UHFFFAOYSA-N 337.375 3.947 0 1 EHAF C[C@@H]1Oc2cc3c(c(O)c2C1(C)C)C(=O)C[C@H](c1ccc(O)cc1)O3 14723723 MNHSEANWZYLOHY-IINYFYTJSA-N 340.375 3.863 0 1 EHAF biogenic CN1CC[C@H]2[C@@H](NC(=O)c3ccc(Cl)cc3Cl)CCC[C@H]2C1 26182275 WORUCROBZFMMIS-GHJWDPDVSA-N 341.282 3.844 0 1 EHAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)C[C@H](CC2CCCCC2)O3)S1 26946900 FHIFNHSHFZBCSX-RDJZCZTQSA-N 345.464 3.855 0 1 EHAF CO[C@]1(C)C[C@H](c2ccc(O)cc2)c2c(c3ccccc3oc2=O)O1 27556094 ADZNYMHOFIXDFZ-QRWLVFNGSA-N 338.359 3.776 0 1 EHAF COC(=O)c1cc2c3cc(C)cnc3n(C)c2c(-c2ccccc2)n1 28867838 DAZYOVSXGQAUNV-UHFFFAOYSA-N 331.375 3.884 0 1 EHAF CCC(=O)O[C@@H]([C@H](C)C(C)=O)[C@@H](C)c1ccc(C)cc1/C=C/CO 31161594 MIXMRTZVGMGBIC-PHYBXGOISA-N 332.440 3.651 0 1 EHAF Brc1ccc2c(c1)ncc1nc(-c3ccccn3)[nH]c12 82158379 CEIOXLPLLHBZPB-UHFFFAOYSA-N 325.169 3.936 0 1 EHAF COc1ccc([C@]2(c3cccc(-c4cncnc4)c3)CCC(N)=N2)cc1 96906039 MLDNPVIFXVSEGX-NRFANRHFSA-N 344.418 3.547 0 1 EHAF NC(=S)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1 96915568 QOMKEZLUCGAMMC-UHFFFAOYSA-N 337.326 3.785 0 1 EHAF CNC(=O)[C@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 103176972 GIYOFQZEPQYSRZ-VIFPVBQESA-N 341.194 3.694 0 1 EHAF O=C1C=C(Br)/C(=C/Br)N1Cc1ccccc1 136892836 CJOCXLUBOLBZJN-XFFZJAGNSA-N 343.018 3.544 0 1 EHAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@@H](O)[C@H]1C/C=C/CCCC(=O)O2 169290087 KBFCVOAVUKWCPS-BKHQYTDWSA-N 336.472 3.523 0 1 EHAF SC1=C2CCCCC2=[N+](C[C@@H]2CCCO2)[C@@H](c2ccccc2)N1 169350821 RXVQOODXQFDNAH-YJBOKZPZSA-O 329.489 3.636 0 1 EHAF CC(C)c1ccc(C(=O)c2cn(-c3cc(Cl)ccc3O)nn2)cc1 220580706 JJWZACPHEQDBJI-UHFFFAOYSA-N 341.798 3.981 0 1 EHAF Fc1ccc(O[C@@H](CC2CNC2)c2ccc(F)c(F)c2)cc1F 299834637 BTQKCUGOWJLBQO-KRWDZBQOSA-N 325.305 3.973 0 1 EHAF O=C1c2cc(COc3ccccc3)nn2CC[C@H]1Cc1ccccc1 299838775 NZUUDMOPBXMRKX-KRWDZBQOSA-N 332.403 3.907 0 1 EHAF COc1ccc2c(c1)CC[C@@H](NCCCc1ccccc1)C[C@@H]2O 299840284 UVSBTRVDVBPUOS-NQIIRXRSSA-N 325.452 3.656 0 1 EHAF COc1ccc2ccc(=O)oc2c1C1=NN[C@H](c2ccc(C)cc2)C1 299862433 JQFARUIDIQNLAB-HNNXBMFYSA-N 334.375 3.549 0 1 EHAF CC(C)(C)OC(=O)CC1c2cccc(O)c2C(=O)c2c(O)cccc21 473158209 VXJJOKAWTKJYLZ-UHFFFAOYSA-N 340.375 3.506 0 1 EHAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nccc(N)c3[nH]2)cc1 586881173 VMXBMMGTBRNUTM-UHFFFAOYSA-N 344.374 3.881 0 1 EHAF Oc1cccc(CCc2nc3cc(F)cc(Br)c3[nH]2)c1 586897002 OWKLJCOESDCQEJ-UHFFFAOYSA-N 335.176 3.955 0 1 EHAF Cc1c(CC(=O)C2CC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992436 WISMATCHOQHCJZ-UHFFFAOYSA-N 343.382 3.982 0 1 EHAF CC(=O)c1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 587040302 MWACMKNHUQPSAK-AWEZNQCLSA-N 347.440 3.748 0 1 EHAF COc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cn1 587092122 ASPASLBKPWEEII-UHFFFAOYSA-N 340.330 3.683 0 1 EHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587094743 UTMAJUGTBNHSIV-SCSAIBSYSA-N 341.667 3.624 0 1 EHAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587152213 XUFZRDQTSHJHNK-ZETCQYMHSA-N 336.269 3.818 0 1 EHAF Fc1nc(Cl)ccc1-c1nc2cc(Br)ncc2[nH]1 587177377 GNLWTMRDXNLCQS-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF CC(=O)N[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(C)cc1 587207423 SYHFSMAOPJAXLK-ZDUSSCGKSA-N 347.340 3.709 0 1 EHAF CCO[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351691 GXQGRHCEEWNYJO-WSTZPKSXSA-N 342.366 3.828 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3nc(Cl)ccc13)O2 587381478 JOBBPLBMYUDWBO-AWEZNQCLSA-N 327.771 3.813 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccncc1)O2 587394610 IYXMFXXBPYYPLE-OAQYLSRUSA-N 330.387 3.881 0 1 EHAF COc1cc2c3c(c1)O[C@]1([C@@H](N=O)[C@@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587427124 CASCLXGKBZMYKU-NDYCFWFESA-N 341.407 3.773 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(C(C)(C)CCC(=O)O)CC2=O 587491953 XRIVFYNUYDFNFH-LJQANCHMSA-N 334.412 3.960 0 1 EHAF O=C1C[C@@H](c2cccn2-c2cnccn2)Oc2c1ccc1c2CCCC1 587514353 XEQFNWYIBFZXMW-IBGZPJMESA-N 345.402 3.853 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340.354 3.790 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(OC)cc1 587870853 UGKRLOHRVJBFJD-UHFFFAOYSA-N 340.354 3.785 0 1 EHAF Cn1ccc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962699983 FDOQTASIVAHPCC-KXBFYZLASA-N 330.472 3.791 0 1 EHAF Cc1ccc([C@@]2(c3ccccc3)NCCc3ccc(O)cc32)c(N)c1 963350385 BMMLITXAXOYUJU-JOCHJYFZSA-N 330.431 3.720 0 1 EHAF CC(C)c1ccc(Oc2ccnc3sc(C(N)=O)c(N)c23)cc1 1857566076 YUWBWVLAHVEPML-UHFFFAOYSA-N 327.409 3.893 0 1 EHAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@]54C)[C@@H]2CC[C@H]13 1857567488 ODNGPDQXZHFBIW-LQZNPMBKSA-N 330.468 3.852 0 1 EHAF C[C@H](NC(=O)C1CCCC1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356301871 HETGOTFTPLTUOS-JTQLQIEISA-N 346.358 3.546 0 1 EHAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56CCC[C@H]5C=CC[C@]4([C@@]36C)[C@]21O 2356356026 JXQHFTDLSRGNLB-NDWWHVHGSA-N 342.479 3.987 0 1 EHAF CCOC(=O)[C@@]1(C)CCCN(C(=O)c2cccc3ccccc23)C1 61904029 XQHJDFRVMGCQDP-FQEVSTJZSA-N 325.408 3.645 0 3 EHAF O=C(O)C[C@@]1(O)CCC[C@H](/C=C/[C@H](O)CCCCc2ccccc2)C1 3644228 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330.380 3.698 0 1 EHAF CCCCOc1ccccc1NC(=O)NC1C[C@H]2CC[C@H](C1)N2C 101229194 YRAAVUPKUAITOL-HZPDHXFCSA-N 331.460 3.612 0 1 EHAF COc1cc(O)c2c(=O)c(-c3cccc(Br)c3)c[nH]c2c1 103229487 GVPKJJACYKKREZ-UHFFFAOYSA-N 346.180 3.672 0 1 EHAF CC(=O)c1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114332645 RZPNBOIDKHKPQD-HXUWFJFHSA-N 348.450 3.842 0 1 EHAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CC2)cn1 141234617 VQGDWRPRXJFPDW-UHFFFAOYSA-N 349.390 3.516 0 1 EHAF O[C@@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(F)cccc12 169334860 HIEUEHJJXOAYPV-YGRLFVJLSA-N 342.336 3.958 0 1 EHAF CC(C)C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2ccc(F)cc2F)CO1 207703162 KSUADMBOPPDFIC-BNLOLNQZSA-N 340.439 3.673 0 1 EHAF Fc1ccc2c3c([nH]c2c1)CN1CCc2cc4c(cc2[C@H]1C3)OCO4 209386750 NLRFTUGWWMRTOZ-GOSISDBHSA-N 336.366 3.691 0 1 EHAF COc1cc(C(c2ccc(O)c(OC)c2)[C@@H](CO)C(C)C)ccc1O 299829894 MTYHXMCIRRFORL-HNNXBMFYSA-N 346.423 3.511 0 1 EHAF Cc1c(Br)ccc2nc(Cc3csc4nccn34)[nH]c12 587039985 IPHOPADYFUQOIN-UHFFFAOYSA-N 347.241 3.934 0 1 EHAF 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342.200 3.652 0 1 EHAF Cc1cc(C)c2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587526105 PRWWPWAIIXRZOP-JOCHJYFZSA-N 347.414 3.995 0 1 EHAF CCO[C@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)OCO4)s1 587014196 IWLWBBPGPKIVIJ-SECBINFHSA-N 331.397 3.821 0 1 EHAF C[C@H](O)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587531904 NMARWRGXFACZLI-BUXKBTBVSA-N 328.433 3.868 0 1 EHAF C[C@]1([C@@H]2CCCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587618247 STWJCYVULLWUPQ-ASUYLVSUSA-N 340.375 3.539 0 1 EHAF CC(C)COc1cccc(OCc2nc3ccc(CO)cc3[nH]2)c1 587565595 FPAHIIHGSBCAMJ-UHFFFAOYSA-N 326.396 3.669 0 1 EHAF CC(C)C(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809828 BGRYRPHTTZFPAX-QFYYESIMSA-N 342.252 3.953 0 1 EHAF Cc1cccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590860 ZQUYRNVYEJKKKP-JXFKEZNVSA-N 333.343 3.799 0 1 EHAF CCOC(=O)C[C@]1(CCC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441053 IZOGKPWAUQUBAA-QRWLVFNGSA-N 346.423 3.571 0 1 EHAF CC(=O)C[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587816319 WLGAYKXIEYDHOX-ABKXIKBNSA-N 340.236 3.707 0 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CC(=O)n1cc([C@@H]2C[C@]23N=C(c2ccccc2)OC3=O)c2ccccc21 1658324 COXOBFSHHBLWJW-UWJYYQICSA-N 344.370 3.531 0 1 EHAF O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1 3955892 DIHZRGDOROQHOP-FQEVSTJZSA-N 337.423 3.573 0 1 EHAF O=C(Nc1ncccc1C(=O)O)c1cccc(Oc2ccccc2)c1 13611227 JJMTWSTZUQZFEA-UHFFFAOYSA-N 334.331 3.824 0 1 EHAF COc1cc2ccc(=O)oc2cc1Oc1ccc2ccc(=O)oc2c1 32287269 VBINWHFILLFRGB-UHFFFAOYSA-N 336.299 3.700 0 1 EHAF biogenic CC(=O)Oc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 34075140 RTNRAYIQHCDSAV-AATRIKPKSA-N 328.280 3.599 0 1 EHAF S=c1[nH]nc2c3c4c(sc3nc(-c3ccncc3)n12)CCCC4 40956426 URFPXLHMVKUVCS-UHFFFAOYSA-N 339.449 3.942 0 1 EHAF O[C@@H]1Cc2cccc(F)c2C[C@H]1N1CCC(c2ccccc2)CC1 64512736 KGLFODKWSQEXFG-NHCUHLMSSA-N 325.427 3.533 0 1 EHAF COc1ccc(-c2nc(Cn3cc(CCN)c4ccccc43)co2)cc1 72186145 WCZOBXIICLLPIQ-UHFFFAOYSA-N 347.418 3.854 0 1 EHAF C/N=c1\[nH]c2cnc(Nc3cccc(C)c3)cc2n1Cc1ccccc1 82081958 CHQVGBGMPXWHEX-UHFFFAOYSA-N 343.434 3.995 0 1 EHAF Cc1ccccc1N1CCN(C(=O)CSCc2ccccc2)CC1 147583465 XHBPSMXVXVVMLH-UHFFFAOYSA-N 340.492 3.577 0 1 EHAF CCC[C@@H]1C[C@@H]2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)C[C@@H]1N2C 169295488 NYHLSJFRSGAHTE-JAZQRGJZSA-N 329.484 3.917 0 1 EHAF CC[C@@H]1[C@H](C)[C@@H](Cc2ccc(C(=O)NC(=N)N)cc2)CCC1(C)C 299849798 YKHCAUNZHILION-KBRIMQKVSA-N 329.488 3.951 0 1 EHAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NC[C@@H](O)CC 299876262 FIFMXACLTWHOMK-YTQUADARSA-N 346.471 3.588 0 1 EHAF Clc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 587039770 FTLJWHYPMIVDAN-GXTWGEPZSA-N 330.844 3.558 0 1 EHAF Cc1c(-c2nc3cnc(Cl)[nH]c-3n2)cnn1-c1ccc(Cl)cc1 587075601 JHSPKYANMSFBOP-UHFFFAOYSA-N 345.193 3.772 0 1 EHAF Cc1ccc(CCc2nc3ccc(Br)c(O)c3[nH]2)cc1N 587250092 GVHAGHGZSQBLIG-UHFFFAOYSA-N 346.228 3.707 0 1 EHAF COc1ccc(OC(F)F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587384215 YSSYXMQGJNJOCK-MRXNPFEDSA-N 349.333 3.894 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCCF)cc1)[C@@H](C2)C3=O 587424850 WJKPFECJYKNYJH-OXJNMPFZSA-N 342.366 3.922 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccccc1)[C@@H](C2)C3=O 587432889 ZTTRIGJPFADDLW-KKSFZXQISA-N 331.371 3.975 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2ccc(OC)cc2C1 587476958 GWXAEDYENZUZSM-OAQYLSRUSA-N 338.403 3.856 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCSC2)N1 587859138 VXAPAJNQJHUWTL-XPTSAGLGSA-N 330.266 3.845 0 1 EHAF C[C@]1([C@@H]2CC[C@@H](N)C2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962693329 BMQJSSAJTGJAMC-GPINWOSQSA-N 334.504 3.532 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCc2cc(F)ccc21 963613570 UYPFCCCRZMRGMK-YUNKPMOVSA-N 327.399 3.567 0 1 EHAF O=C(O)c1ccccc1-n1c(Br)ccc1C(F)(F)F 1857575439 NBXFHRFPPPEHJM-UHFFFAOYSA-N 334.091 3.957 0 1 EHAF COCCNc1c(-c2ccc(OC)cc2)nc2ccc(Cl)cn12 4847591 XECPLCNYDKBKPP-UHFFFAOYSA-N 331.803 3.722 0 3 EHAF CCCNC(=O)[C@]1(C)CCCN(C(=O)c2cc3ccccc3s2)C1 61905243 FRIZUZUXZJWHEG-LJQANCHMSA-N 344.480 3.670 0 3 EHAF CC(=O)OCCCN1CCC2(CCC(c3ccccc3)CC2)C1=O 96019343 GCOFQUVGNBTRHD-UHFFFAOYSA-N 329.440 3.516 0 3 EHAF Sc1nc2ccccc2c2nc(CCc3c[nH]c4ccccc34)nn12 424899 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344.370 3.641 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cccs1)[C@@H](C2)C3=O 587451301 MURGMVQVSMOBQQ-VOJFVSQTSA-N 338.388 3.636 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2NCCc3cccc1c32 587481831 ICRAOFHKAZDNPL-HTAPYJJXSA-N 349.430 3.796 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3nccnc3c1)CC2=O 587483198 LIMAMJZAVTUSFA-LJQANCHMSA-N 334.375 3.994 0 1 EHAF CN(C)/C=C/[C@@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510932 HUPLNWGORKTFEG-FZNBYNMYSA-N 348.446 3.896 0 1 EHAF Cc1scnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615920 AANZHQSHSZMPPU-KSSFIOAISA-N 339.372 3.860 0 1 EHAF Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587774092 LGVZLTRLZBGGLQ-NZFNHWASSA-N 339.208 3.817 0 1 EHAF CCOc1ccc(OCC)c(-c2nc3cccc(C(=O)OC)c3[nH]2)c1 587777732 DDYHQTSEENTQOW-UHFFFAOYSA-N 340.379 3.814 0 1 EHAF O=C(CCc1ccccc1)c1nc2c(Br)nccc2[nH]1 587953862 VKHYLKKONBVATK-UHFFFAOYSA-N 330.185 3.536 0 1 EHAF CN(C)c1ccc(-c2cnc3cnc(-c4ccc(O)cc4)cn23)cc1 653682832 JJMVIBOZWBQPSL-UHFFFAOYSA-N 330.391 3.835 0 1 EHAF 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Cc1nc2ccccc2cc1-c1nnc(-c2ccccc2C(=O)O)o1 103272083 IZXXVWSPQSMDMX-UHFFFAOYSA-N 331.331 3.958 0 1 EHAF O=c1c2c3c(sc2nnn1-c1ccc(F)c(Cl)c1)CCCC3 64516759 ADUFYVNLTGLCII-UHFFFAOYSA-N 335.791 3.514 0 1 EHAF O=C1OC[C@@H](COC(=O)c2ccccc2)C=C1c1cccc(Cl)c1 64559271 CIKWTZRMMGEXGU-CYBMUJFWSA-N 342.778 3.753 0 1 EHAF CC(C)c1ccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)cc1 26176034 WSUIAKBTZKKHKW-UHFFFAOYSA-N 331.423 3.921 0 1 EHAF CCCCNC(=O)c1ccc(-c2cc(OC)c(O)c(OC)c2)cc1 64585765 QJEWDGFMVHENFW-UHFFFAOYSA-N 329.396 3.606 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@@H]1C(=O)c1occ(C)c1[C@@H]2O 2356594129 JSAITVSNDUGDOQ-HZLQQORQSA-N 346.423 3.748 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@]12O 2356658272 MQNZCIQEZXYGJZ-GVXRKXQCSA-N 332.440 3.732 0 1 EHAF CCCn1cc(C2=NS(=O)(=O)c3ccccc3N2)c2ccccc21 73390726 LFMPABSZTFCWSL-UHFFFAOYSA-N 339.420 3.612 0 1 EHAF COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3[nH]1)cn2C 35979149 ISLVGFDZMORPFI-UHFFFAOYSA-N 342.786 3.787 0 1 EHAF in-vitro O=C(N1CC[C@H](c2c[nH]c3ncccc23)C1)C1(c2ccccc2)CC1 43205060 KONDYSYBNMOPRN-HNNXBMFYSA-N 331.419 3.611 0 1 EHAF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3C)C2)c(OC)c1 43079245 HQNYFDPVQJDOFC-IBGZPJMESA-N 338.407 3.710 0 1 EHAF COc1ccc(-c2cc3cc(/C=C/C(=O)O)cc(O)c3o2)cc1O 96934952 FIWDWKGBBACEJP-GORDUTHDSA-N 326.304 3.617 0 1 EHAF C[C@H](Oc1ccc2ccccc2c1)c1nc2c(O)nc(S)nc2[nH]1 587952812 BUASNJKRCGUGBV-VIFPVBQESA-N 338.392 3.640 0 1 EHAF COC(=O)[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587524710 MKEHKCJMOFCOHH-JLTOFOAXSA-N 328.408 3.633 0 1 EHAF Cc1cc(Cc2nc3cc4c(cc3[nH]2)OCO4)ccc1Br 586977562 QVOCURMJXWFZEJ-UHFFFAOYSA-N 345.196 3.953 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1c(C)n[nH]c1C)CC2=O 587485805 QZUXPUWTDDCBPT-IBGZPJMESA-N 328.412 3.651 0 1 EHAF COc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1C 586913899 USXJBJLHRAOLDZ-UHFFFAOYSA-N 338.407 3.682 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccns2)N1 587859929 YZJMSWIWMGXYDH-UHLUBPPHSA-N 327.222 3.668 0 1 EHAF Cc1cnc(Cl)c2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc12 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Nc1nc(Nc2ccccc2)ccc1C(=O)c1c(F)cccc1F 14945633 OJPSOLHRYLEIJT-UHFFFAOYSA-N 325.318 3.917 0 1 EHAF Cc1c(C)c2ccc(OCCN3CCc4ccccc4C3)cc2oc1=O 1857535170 HQTNGNNCVJXQRC-UHFFFAOYSA-N 349.430 3.847 0 1 EHAF FC(F)(F)c1ccnc(-n2cc(-c3ccnc4ccccc34)cn2)n1 3832025 FZXAUONIUQMUFN-UHFFFAOYSA-N 341.296 3.896 0 1 EHAF CC/C(C)=C/CCC[C@@H](C)CCO[P@@](=O)(O)OP(=O)(O)O 12495217 FFBTVOMODCZDNV-YTRUQHMWSA-N 344.281 3.766 0 1 EHAF endogenous,in-man O=C1c2c(O)cccc2Cc2ccc(Cc3ccc(O)cc3)c(O)c21 13736929 TXRSJMJPOHEYFI-UHFFFAOYSA-N 332.355 3.529 0 1 EHAF Cc1ccccc1Sc1cc2c(cc1NS(C)(=O)=O)CCC2=O 13744798 LZIOBQUCZYZXLW-UHFFFAOYSA-N 347.461 3.647 0 1 EHAF COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2nc(C)ccc2c1 13817970 KLMFRGYXBZFEPX-UHFFFAOYSA-N 342.420 3.661 0 1 EHAF C[C@H](NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1)c1ccccc1 13833800 KAUGFFXPEOJZEZ-SUMWQHHRSA-N 336.460 3.793 0 1 EHAF CCn1c(=O)n(CC)c2cc(-c3[nH]cnc3-c3ccccc3)ccc21 14958438 FCDUOXMHWBYUNK-UHFFFAOYSA-N 332.407 3.900 0 1 EHAF COc1cc(Cl)ccc1O[C@@H](c1ccc(C)cc1)[C@@H]1CNCCO1 29049897 QQHREAWMTUYOBO-OALUTQOASA-N 347.842 3.766 0 1 EHAF in-vitro C[C@@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 40685555 IGTBWNRPQOIMSD-WOKJEVRMSA-N 347.499 3.845 0 1 EHAF O=c1[nH]c2ccccc2c2cn(-c3cccc(C(F)(F)F)c3)nc12 40833979 FMEJYOMHDJCIAR-UHFFFAOYSA-N 329.281 3.886 0 1 EHAF Cc1cc(C)nc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)n1 40901250 TUJCAFHFBFZQLM-QBNKABOXSA-N 343.496 3.716 0 1 EHAF O=C(c1cccc(Cl)c1Cl)N(C1CCCC1)[C@H]1CCNC1 49785860 MPGDFMOXIHFZSL-LBPRGKRZSA-N 327.255 3.740 0 1 EHAF CCCCCNc1ncnc2c1nc(CCC)n2C[C@H]1CCCO1 82186845 OXDDJQTWHUHECQ-CQSZACIVSA-N 331.464 3.560 0 1 EHAF CC(C)(C)c1cc(-c2ccccc2)nn1-c1nc(C(=O)O)cs1 96938274 OAGZCORGGSSOQB-UHFFFAOYSA-N 327.409 3.992 0 1 EHAF C[C@@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 100798950 IIKHDOHLMOEJTH-XBFCOCLRSA-N 339.888 3.989 0 1 EHAF CC[C@@]1(C(=O)NCCc2cnc(Cl)s2)[C@@H](C)C1(Cl)Cl 103296432 BQRCCTFLOJUJJL-HQJQHLMTSA-N 341.691 3.675 0 1 EHAF CCc1c(C)nc2c(-c3cccc(Br)c3)cnn2c1O 104027213 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PBHHKBUHOPEBSS-MEBBXXQBSA-N 330.241 3.500 0 1 EHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 587934145 BJTSMDBVRBEEOJ-CLAHSXSESA-N 335.766 3.596 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC(C)=C[C@@H]2[C@H]1[C@@]1(C)CCC[C@@]2(C)C(=O)O1 2356575370 KREPOBCVKLZNPY-SQOWSMRPSA-N 332.440 3.953 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C 2356671852 OFBXXYNZIIKOOC-LTWWKXSESA-N 334.500 3.568 0 1 EHAF CC[C@H](C)NC(=O)C=CC=CC[C@@H]1CCc2cc3c(cc2O1)OCO3 2356723873 VYDGWIUGIRBBJD-GOEBONIOSA-N 343.423 3.526 0 1 EHAF COCc1cccc(-c2ccc3c(c2)N(CC2CC2)C(=O)COC3)c1 74374983 MSZVZOSQWMYWCL-UHFFFAOYSA-N 337.419 3.773 0 3 EHAF CO[C@@H]1OC(c2ccccc2)=C(c2cnc(N)nc2)c2ccc(F)cc21 96020778 WNJANSDZCUSUET-LJQANCHMSA-N 349.365 3.790 0 3 EHAF CCCCc1nc2[nH]cnc2c2nc(-c3ccccc3Cl)nn12 13475513 CIDJGGNJGCMAMZ-UHFFFAOYSA-N 326.791 3.664 0 1 EHAF CC(C)(O)CCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O 15115077 RFBOXBGSYTWSBN-SFHVURJKSA-N 342.391 3.508 0 1 EHAF biogenic,in-vitro 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VYVCVQBNQXWFAL-UHFFFAOYSA-N 348.450 3.961 0 1 EHAF O=C1N(c2cccc(F)c2)CCc2nc(COc3ccccc3)cn21 204294463 SLJWPYWRJGAODP-UHFFFAOYSA-N 337.354 3.632 0 1 EHAF CN1CC[C@H](C(=O)c2cncc(-c3ccc4ccccc4c3)c2)C1=O 205754159 AIBQHSMFBZHRQJ-LJQANCHMSA-N 330.387 3.563 0 1 EHAF Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1[C@H]2O 238741600 BNWIGXGAONVBGL-MRAULBJFSA-N 348.439 3.887 0 1 EHAF Cn1cc(-c2ncc(-c3nc4cc(Cl)c(F)cc4[nH]3)s2)cn1 587022128 VBXORXUTEIBBRD-UHFFFAOYSA-N 333.779 3.879 0 1 EHAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587051640 ZWWOAKZDMAKXRR-UHFFFAOYSA-N 325.759 3.718 0 1 EHAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 587052783 MLXPEXLYVFNSMM-SECBINFHSA-N 341.720 3.582 0 1 EHAF COc1cc2c(cc1F)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587384961 QHCMFAQUNGOGGN-LJQANCHMSA-N 327.355 3.532 0 1 EHAF CNc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577745 LLZFDVVXHRAIOU-QFBILLFUSA-N 348.358 3.532 0 1 EHAF CC(C)c1c(Cl)ncnc1-n1ncc2ccc(Cl)cc2c1=O 587652155 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3.918 0 1 EHAF CCCCCNC(=O)CCCNC(=O)Nc1cccc(Cl)c1 13560461 GUDSECAQNJNHGI-UHFFFAOYSA-N 325.840 3.548 0 1 EHAF CC[C@H](C(=O)Oc1c(C(C)C)cccc1C(C)C)N1CCOCC1 27183629 UJLTWKHUZBILJU-GOSISDBHSA-N 333.472 3.950 0 1 EHAF CCOC(=O)CNCc1ccc(OCc2cccc(Cl)c2)cc1 27653515 KKOFDFHYMWHLEO-UHFFFAOYSA-N 333.815 3.572 0 1 EHAF C[C@@H](C1CCCCC1)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 29306167 OAJRZWJPYGFQRQ-ZETCQYMHSA-N 329.293 3.808 0 1 EHAF Cc1[nH]c2nc(N)nc(N)c2c1Sc1ccc(Cl)cc1Cl 34577560 UEHPPVRTIBYAFR-UHFFFAOYSA-N 340.239 3.889 0 1 EHAF Cc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CCC2)cc1 43073959 RUBNEOXAMIOXMS-UHFFFAOYSA-N 327.449 3.863 0 1 EHAF COc1ccc(C/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 45358913 DXFDVPUIZMQWMR-SOFGYWHQSA-N 344.407 3.986 0 1 EHAF CCCN[C@H]1CC[C@H](C)[C@]2(Cc3cc(C(=O)O)ccc3O2)C1(C)C 48999607 NNEKFYKKCAXJAV-QKMWGZLOSA-N 331.456 3.883 0 1 EHAF Cc1nc(C)c(-c2ccc3ncnc(NCc4ncc[nH]4)c3c2)s1 64750357 GUNCHZFZUIJHBQ-UHFFFAOYSA-N 336.424 3.705 0 1 EHAF CCN1CCN(Cc2ccc3c(ccn3Cc3ccccc3)c2)CC1 71294869 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CCSc1ccc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963033125 PTDWAXDUWVWCDY-JLTOFOAXSA-N 338.476 3.941 0 1 EHAF O=C(Nc1cccc(O)c1)c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1 1772617255 DPSFKKBIIZTWDA-UHFFFAOYSA-N 345.358 3.893 0 1 EHAF Cc1c(Cc2cccc(C(=O)O)c2)c2ccccc2n1-c1cnn(C)c1 1772618722 VWVKJLLKSABMSA-UHFFFAOYSA-N 345.402 3.961 0 1 EHAF COCCCN1CCCc2ccc(-c3c(C)cc(N)nc3C)cc21 1772618796 ZWWBLJWLJFOZHD-UHFFFAOYSA-N 325.456 3.737 0 1 EHAF CC1=NN2C(=O)[C@H](C)Oc3c(Br)cc(Cl)cc3[C@H]2C1 1857747814 QJKLJVOOGFRFBC-WRWORJQWSA-N 343.608 3.533 0 1 EHAF CC1=CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCC(=CCO)CO 2356384282 NVNBXFPYJOINAR-LCLWPZTBSA-N 336.472 3.541 0 1 EHAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356533473 GWBOIJCRVSAUMR-OKVBRPLWSA-N 333.516 3.532 0 1 EHAF COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1c(ccc(C)c1C)C2=O 5539685 UACQQBIKFDFHJP-GHTZIAJQSA-N 348.402 3.817 0 1 EHAF C[C@H](Cc1c[nH]c2c(O)cccc12)NC[C@H](O)c1cccc(Cl)c1 13488832 SAKZWBFZCQWUSG-XIKOKIGWSA-N 344.842 3.781 0 1 EHAF CN1CCN(c2nc3ccccc3c3c2CCOc2ccccc2-3)CC1 13742142 LQGPXIKYBHFESW-UHFFFAOYSA-N 345.446 3.589 0 1 EHAF CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(-c2ccc(C=O)cc2)cc1 13835083 ROWZLJVYZYQWLP-OAHLLOKOSA-N 345.464 3.597 0 1 EHAF CCOC(=O)c1c(Nc2ccc(Cl)cc2)ncnc1NC(C)C 28714527 XFULZLPCOPRCHF-UHFFFAOYSA-N 334.807 3.871 0 1 EHAF Cc1cccc(-c2noc([C@@H]3CCCN(C(=O)C4CCC4)C3)n2)c1 35279594 AURFQZURADYOGD-MRXNPFEDSA-N 325.412 3.551 0 1 EHAF CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@@H](O)CC[C@H](C)[C@@]12C 40862046 IAWIPMBPDIXBBM-MUYXBLMISA-N 348.439 3.828 0 1 EHAF CCCCc1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1 64540030 JCUXLJBCFZRQRH-UHFFFAOYSA-N 329.783 3.940 0 1 EHAF CC(C)(C)O[C@@H]1C=CCC[C@H]1N(O)c1ccc(Br)cn1 73195728 BTNLPLNKNSCNJM-CHWSQXEVSA-N 341.249 3.942 0 1 EHAF CCC(=O)c1ccc2c(c1)sc(=O)n2CCCN1CCCCCC1 96916501 QRCHMSBQJZWJDN-UHFFFAOYSA-N 346.496 3.922 0 1 EHAF N=c1c(Cc2ccccc2Cl)c[nH]c(=O)n1-c1ccc(Cl)cc1 101055844 YLBXVFYTLDRSNS-UHFFFAOYSA-N 346.217 3.543 0 1 EHAF 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CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 587588407 KOSFEQQLHNPBSK-FXAWDEMLSA-N 335.359 3.986 0 1 EHAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)F 587622424 MWFNLXWXCPAAMW-UHFFFAOYSA-N 328.116 3.563 0 1 EHAF CC[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810520 CYZJTXRELNVBQA-PXTQAZKISA-N 342.252 3.953 0 1 EHAF CC(=O)[C@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811792 HNKQVWVFKAFLOS-QFYYESIMSA-N 342.252 3.953 0 1 EHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)ncc2[nH]1 587928261 ZZZIDQNRILUMSY-LBPRGKRZSA-N 327.384 3.526 0 1 EHAF Cc1c(Sc2cccc3ccccc23)n(C)c2nc(=N)[nH]c(N)c12 1857653768 MKXXVXGKECMIDT-UHFFFAOYSA-N 335.436 3.576 0 1 EHAF CC(=O)O[C@@]12C=C[C@@]3(OC(C)=O)c4ccccc4[C@H]3[C@@H]1c1ccccc12 26576639 NNSIFUZWROINGZ-FNAHDJPLSA-N 346.382 3.668 0 1 EHAF CSc1ccc(C(=O)c2c(SC)cc3n2CC[C@H]3C(=O)O)cc1 28226183 PKRRTYUPTOPHDV-GFCCVEGCSA-N 347.461 3.735 0 1 EHAF O=c1ccc(Oc2ccc(F)cc2F)nn1-c1ccccc1Cl 40584282 UNUVKHUACKTQGO-UHFFFAOYSA-N 334.709 3.956 0 1 EHAF O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc2c1=O 45364782 VORNGWDMBJSGCU-UHFFFAOYSA-N 347.292 3.767 0 1 EHAF CCc1cc2c(s1)Nc1cc(F)ccc1N=C2N1CCN(C)CC1 53122820 XAYYAFLUPMXIDV-UHFFFAOYSA-N 344.459 3.832 0 1 EHAF Brc1ccc(Cn2cc(COc3ccccc3)nn2)cc1 81282706 XPCROUBQTBRSDF-UHFFFAOYSA-N 344.212 3.668 0 1 EHAF Cc1ccnc(NC(=S)N2CCN(c3ccc(Cl)cc3)CC2)c1 95568302 SXTAEGBGNVVLAQ-UHFFFAOYSA-N 346.887 3.562 0 1 EHAF Cc1cccc(-c2noc(C3CN(C(=O)[C@H]4CCC[C@H](C)C4)C3)n2)c1 95574239 MFVPSSXAOAFJQR-HOCLYGCPSA-N 339.439 3.797 0 1 EHAF CC(C)[C@@H]1C/C=C\C[C@@H](c2ccc(F)cc2)NC(=O)[C@H](C)CC(=O)N1 95661158 PPUWPKXGVBULLK-UVSGAKDVSA-N 346.446 3.500 0 1 EHAF CCOC(=O)CCN(C)[C@]1(c2ccccc2Cl)CCCCC1=O 96911382 GNIZNSSNZICSGW-SFHVURJKSA-N 337.847 3.563 0 1 EHAF CSc1cc(/C=C/c2ccc(O[C@@H]3CCCCO3)cc2)nc(N)n1 96914141 PDCOCMPANATOLQ-ZGRWHYIRSA-N 343.452 3.857 0 1 EHAF CC1(C)[C@@H](NC(=O)c2c[nH]c3cc(F)ccc3c2=O)[C@]2(C)CC[C@@H]1C2 101541268 VBTVWXNUTAZMAY-ZUNHGIIWSA-N 342.414 3.612 0 1 EHAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@@H](C2)[C@H]1[C@H](C)CC(=O)C3 101795859 GFZHKWGREZBWQT-MVMQPQNDSA-N 339.479 3.589 0 1 EHAF Oc1ccc2[nH]c(CN3CCC(Cc4ccc([18F])cc4)CC3)nc2c1 101910313 PAFKHYPPLMSWPU-GJQNQZCXSA-N 338.417 3.862 0 1 EHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H]2CCc3ccccc32)n1 142119182 QHICTWWFFVBASB-HZPDHXFCSA-N 338.411 3.557 0 1 EHAF O=C(N[C@@H]1COc2ncccc21)[C@@H]1CCc2cc(Cl)cc(Cl)c21 144940190 RUYVBXHBGOCWLC-TZMCWYRMSA-N 349.217 3.668 0 1 EHAF CCCCC[C@@](C)(O)CCCN(CCCCCCC(=O)O)C(C)=O 169334146 DHWZBERWTDERPP-LJQANCHMSA-N 343.508 3.982 0 1 EHAF N=c1[nH]c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cs1 586993859 KCWSAUYYQWUNIK-UHFFFAOYSA-N 345.383 3.688 0 1 EHAF Cc1c(F)ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587041940 QJHBKWJJECSCOF-HOTGVXAUSA-N 327.428 3.957 0 1 EHAF COC(=O)c1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2cn1 587096418 AUDKHNXZPJWHMC-SECBINFHSA-N 349.312 3.915 0 1 EHAF COC(=O)c1cc(Cl)c2nc(-c3n[nH]c4c(F)cccc34)[nH]c2c1 587176484 MMTXBBPOJQXFJO-UHFFFAOYSA-N 344.733 3.685 0 1 EHAF CN(C)c1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)nc1 587194303 CJAZHMIUMXLHGK-UHFFFAOYSA-N 344.422 3.522 0 1 EHAF O=C(/C=C\c1nc2c(Cl)cnc(Cl)c2[nH]1)Nc1ccccc1 587243427 DMJMCWRMTHCVIM-SREVYHEPSA-N 333.178 3.917 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(C)c1-c1ccccc1)O2 587391055 KHQSHZFWKHUOED-SFHVURJKSA-N 333.391 3.684 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(n1)NCCC3)CC2=O 587486740 SYRIZKDNSNPMHQ-SFHVURJKSA-N 338.407 3.804 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1C[C@H]2C=C[C@H]1C2 587604943 VYZINUFXSGILQS-HLBRHHCVSA-N 334.371 3.935 0 1 EHAF COc1ccc(C[C@@H](C)c2nc3cccc(OC)c3[nH]2)cc1OC 587926979 QLLCWXWAXREDRL-GFCCVEGCSA-N 326.396 3.935 0 1 EHAF CO[C@@H](C)COC1CCC(c2nc3c(C)cnc(Cl)c3[nH]2)CC1 587952321 OTJNVPNEWOZKPS-HIFPTAJRSA-N 337.851 3.997 0 1 EHAF N[C@@H]1Cc2c(Cl)cccc2[C@]12c1c(F)cccc1C[C@@H]1CCCN12 963094298 CJQOQEFRZAYYMB-CYFNAFFESA-N 342.845 3.627 0 1 EHAF COc1cccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)c1F 1857587257 WPVFDWXIJZEPGO-UHFFFAOYSA-N 349.365 3.703 0 1 EHAF COc1ccc2c(c1)[C@@]1(C)Cc3sc(=N)[nH]c3C(C)(C)[C@@H]1CC2 1857610431 DMRPLQHOLANPCY-HNAYVOBHSA-N 328.481 3.918 0 1 EHAF Cc1cccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2)c1 1857752765 OIDGEVIMHUGENK-QGZVFWFLSA-N 348.324 3.605 0 1 EHAF Cc1ncc(C)n2nc(-c3ccc4cc(-c5ccccc5)nn4c3)nc12 1857759770 QGBNJXVPDZGJPO-UHFFFAOYSA-N 340.390 3.723 0 1 EHAF CC(C)(O)C=Cc1c(O)ccc2c1O[C@@H](c1ccc(O)cc1)CC2=O 2356387332 PKZSTSRCLSRIGB-GOSISDBHSA-N 340.375 3.588 0 1 EHAF CCC[C@H](O)CCCCC[C@@H]1C[C@@H](O)[C@H](Cc2ccccc2)N1C 2356800862 QITOQUWXCAMNFM-IVAOSVALSA-N 333.516 3.774 0 1 EHAF COc1cc2nc(=S)n(Cc3ccccc3)c(O)c2cc1OC 199559204 AOMOMMAFJKWHTL-UHFFFAOYSA-N 328.393 3.537 0 3 EHAF C[C@@H](NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c1ccccc1 3188959 HIBLBXDGYWMMPH-MRVPVSSYSA-N 328.256 3.930 0 1 EHAF biogenic COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1c(ccc(C)c1C)C2=O 5539684 UACQQBIKFDFHJP-RXVVDRJESA-N 348.402 3.817 0 1 EHAF O=C(c1ccc(Cl)cc1)c1ccn(S(=O)(=O)c2ccccc2)c1 6581606 WCLJZSZXZBAYKZ-UHFFFAOYSA-N 345.807 3.610 0 1 EHAF CC[C@@H]1CN(CC)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1 14967315 LLGNUOUFJSRIQB-SECBINFHSA-N 326.318 3.544 0 1 EHAF CCCCN(C(=O)C1=COc2ccc(O)cc2O1)c1ccccc1 27307709 HSIZRDJKBDWKAV-UHFFFAOYSA-N 325.364 3.838 0 1 EHAF Clc1cccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)c1 29130328 XNUUCAAGIJSHSJ-UHFFFAOYSA-N 333.802 3.864 0 1 EHAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)/C(=C/C(=O)O)CC[C@@H]4[C@@H]3CC[C@@H]12 29461856 RSHSEAUIGQPKLY-KAWVXBPESA-N 345.483 3.861 0 1 EHAF CCCCC(CCCC)N1N=C(c2cccnc2OCC)OCC1=O 42887659 WPOPVMDKNWMAMJ-UHFFFAOYSA-N 347.459 3.750 0 1 EHAF Clc1ccc2nc(N3CCC(N4CCCCC4)CC3)sc2n1 45287876 ZKRZYXAKNPYJJC-UHFFFAOYSA-N 336.892 3.799 0 1 EHAF COc1cc2nncc(-c3cnc(NC(C)C)c(F)c3)c2cc1OC 73296007 CPEQDPJTYAYWHE-UHFFFAOYSA-N 342.374 3.668 0 1 EHAF CCCCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1 103177559 CSVXBZRGSPGMPU-UHFFFAOYSA-N 333.863 3.909 0 1 EHAF COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 103215761 MIZWBLAYAFVOAR-CRAIPNDOSA-N 333.472 3.693 0 1 EHAF O=C1c2cc(Cl)nc3cccc(c23)CN1CCCN1CCCCC1 169351724 YQXDJIVGMVFVOP-UHFFFAOYSA-N 343.858 3.720 0 1 EHAF Cc1nc2cc(F)c(F)cc2n1-c1ccc(C(=O)NC2CC2)s1 169701629 FBZQWYOZXKENJW-UHFFFAOYSA-N 333.363 3.566 0 1 EHAF Cc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCO5)cs2)o1 587016904 PRTPSOQAUFLHRV-UHFFFAOYSA-N 325.349 3.984 0 1 EHAF COc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1F 587177950 ILRVABXEYMUFJK-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(Br)cc2[nH]1 587241066 YGGXWIASPPGIRF-UHFFFAOYSA-N 345.200 3.791 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)o1)O2 587371303 FIKLPAWVQKTBIC-HNNXBMFYSA-N 336.185 3.813 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(Cc3ccccc3)n1)O2 587392189 ROXVXBUMKFQKBD-IBGZPJMESA-N 333.391 3.529 0 1 EHAF CCOC(=O)C[C@@]1(C2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1 587397901 BVQDZALHQNRPQR-HXUWFJFHSA-N 345.439 3.815 0 1 EHAF COc1cc(O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 587424206 XYVVHYAUFBNTJW-ADLMAVQZSA-N 346.766 3.552 0 1 EHAF COc1cc2c3c(c1)O[C@@](c1cccc(C=O)c1)(C1CC1)[C@@H](C2)C3=O 587443684 BJANJCHHZZFLIR-LAUBAEHRSA-N 334.371 3.561 0 1 EHAF CC[C@@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587527297 SACPLWCROHLYIX-FQEVSTJZSA-N 339.391 3.862 0 1 EHAF Cc1ccnc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587590577 ZDJNJUXVWJVMGS-NQIIRXRSSA-N 347.370 3.973 0 1 EHAF C[C@@]1(c2cscn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616933 HNDIKOYHYFMVNS-YJBOKZPZSA-N 339.372 3.726 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=COCCC2)N1 587832467 BWOFEZPKGYKHLY-BJOHPYRUSA-N 326.209 3.858 0 1 EHAF O=C(NCCc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 653843519 RBAATWBGHBFUNP-UHFFFAOYSA-N 326.396 3.922 0 1 EHAF COc1ccc(Cl)c2c1CCN[C@]21CCc2cc(O)ccc2C1 963257586 LAAUUXIMPAEFAZ-IBGZPJMESA-N 329.827 3.584 0 1 EHAF COc1ccc2c(c1)CCCN2c1nc(N)nc2[nH]c3ccccc3c12 1772638092 KGNAPMWILLAKSZ-UHFFFAOYSA-N 345.406 3.786 0 1 EHAF O=C(c1ccc2c(c1)OCO2)c1c[nH]c2cccc(Br)c12 1911575644 XXRXLWSFCFZEJL-UHFFFAOYSA-N 344.164 3.890 0 1 EHAF C[C@@H]1CC[C@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CCC1=CCOC1=O 2356418205 ZKUWHVKICYZVFY-GODCRWGESA-N 330.424 3.566 0 1 EHAF Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2cscn2)C1 11999730 IEYMSYIQHLHOEA-LBPRGKRZSA-N 348.855 3.840 0 3 EHAF O=C1C[C@H](C(=O)Nc2nc3ccccc3s2)[C@H](c2ccccc2)O1 313150 TTWZTCDMSWDUJX-LRDDRELGSA-N 338.388 3.539 0 1 EHAF CC(=O)[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 3849899 IDNNKANZNRRSDH-GGGZUALOSA-N 332.484 3.918 0 1 EHAF biogenic CSc1ncc(C(=O)N[C@H](C)c2ccccc2)c(C(F)(F)F)n1 6938334 IRQBFOVIBWGIEK-SECBINFHSA-N 341.358 3.708 0 1 EHAF Cc1ccccc1-c1noc2c(Cl)c3c(cc12)C[C@H](C(=O)O)O3 25975912 HWYJZZHNVXPHQA-GFCCVEGCSA-N 329.739 3.845 0 1 EHAF CCOc1c(Cl)cccc1O[C@H](c1ccccc1)[C@@H]1CNCCO1 29049111 FUHOKNRCOVAKDB-ZWKOTPCHSA-N 347.842 3.847 0 1 EHAF in-vitro c1ccc2c(c1)Cc1cc(C3(Cn4ccnc4)OCCCO3)ccc1-2 29346513 MXXLEUGJQHTZGU-UHFFFAOYSA-N 332.403 3.744 0 1 EHAF COC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 34801388 IVJOAORQVUYFDW-TXBDMLHMSA-N 347.499 3.639 0 1 EHAF Cc1nc2c(NCc3ccccc3)cc(-n3ccccc3=O)cn2c1C 40976498 GSIKNNVDKLEWNH-UHFFFAOYSA-N 344.418 3.714 0 1 EHAF CN1CCC[C@@H]1Cn1nc(CC2CCCCC2)c2ccccc2c1=O 71318829 IGZMIXBCHNOMPG-QGZVFWFLSA-N 339.483 3.614 0 1 EHAF CN(CCCNCc1coc(-c2ccc(O)cc2)n1)c1ccccc1 72183074 VUIXPVHHBFYGNR-UHFFFAOYSA-N 337.423 3.663 0 1 EHAF COc1ccc([C@H](O)c2nnc(Nc3c(C)cccc3C)s2)cc1 82083465 HPHSAIXONMSZDM-INIZCTEOSA-N 341.436 3.989 0 1 EHAF Cc1cccc(-c2noc(C3CN(C(=O)C4CCC(C)CC4)C3)n2)c1 95572475 FKMANXQNPAVCSS-UHFFFAOYSA-N 339.439 3.797 0 1 EHAF COc1cc2ncnc(Nc3cc(-c4ccccc4)[nH]n3)c2cc1OC 140658402 FSKWVQYXXLTRRM-UHFFFAOYSA-N 347.378 3.781 0 1 EHAF Clc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cc1 207175150 BAOSXLNNTDGXRK-UHFFFAOYSA-N 341.846 3.633 0 1 EHAF CN(C)C(=O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586886229 FLTGUICWEHFSTR-KKSFZXQISA-N 331.419 3.636 0 1 EHAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C(C)=O)cc2[nH]1 586917024 QUVHWTUSQWRVLD-IERDGZPVSA-N 348.402 3.982 0 1 EHAF C[C@@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586961303 HCZFQEKSGDECJV-SSDOTTSWSA-N 336.323 3.528 0 1 EHAF CN(C)CCOc1ccc2nc(CSCc3ccsc3)[nH]c2c1 587027112 PGMJSWFRXBZHPK-UHFFFAOYSA-N 347.509 3.998 0 1 EHAF N=C(N)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587085432 SGAYVJYMZULRGK-UHFFFAOYSA-N 348.797 3.624 0 1 EHAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(SC)cc3[nH]1)C2 587246709 ITKVEIAQDFPUIB-LJQANCHMSA-N 339.464 3.636 0 1 EHAF N[C@@H]1CC[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C1 587246812 OESGOCNUUSRSSB-NKWVEPMBSA-N 348.166 3.939 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)nc(Cl)c1)[C@@H](C2)C3=O 587421853 NOVKTGXNXFSKDP-QFYYESIMSA-N 336.174 3.886 0 1 EHAF CC(C)(C)OC(=O)NC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587514907 XNBWAMSSVBUGQQ-FQEVSTJZSA-N 345.439 3.814 0 1 EHAF CCc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587528406 YVNQRZCYHUUGDB-QFIPXVFZSA-N 347.414 3.941 0 1 EHAF Cc1ccc(OCc2nc3ccc(Br)c(O)c3[nH]2)cc1 587565402 GSAGBPURZLPPIT-UHFFFAOYSA-N 333.185 3.918 0 1 EHAF CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587588423 KOSFEQQLHNPBSK-XLIONFOSSA-N 335.359 3.986 0 1 EHAF COC(C)(C)C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590801 AUCVQVDNNXRQCT-HZPDHXFCSA-N 328.364 3.538 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccnc32)N1 587779651 VGLOTOKFWRYBDC-BMLIUANNSA-N 347.231 3.707 0 1 EHAF C[C@H](CCc1nc2ccc(Br)c(F)c2[nH]1)CC(=O)O 587962562 FYDFKCQQVAVMHW-SSDOTTSWSA-N 329.169 3.508 0 1 EHAF CC(C)c1nn(C)c2c1[C@](c1cccc(Cl)c1)(C1CC1)NCC2 962922040 QAZPVYHSWIZULN-LJQANCHMSA-N 329.875 3.996 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnn(-c3ccccn3)c2)N1 962946883 MDEXQGFRNKNUIU-MGPUTAFESA-N 343.434 3.762 0 1 EHAF COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCO3)cc1 1857537935 UUURZWBUFNDNIQ-ONEGZZNKSA-N 325.408 3.612 0 1 EHAF O[C@H](CNCC1(c2cccs2)CCCCC1)COc1ccccc1 1857761337 ZGDIAOVQDSSQKS-QGZVFWFLSA-N 345.508 3.980 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1[C@](C)(O)CC[C@@H]2[C@@](C)(CO)CCC[C@]21C 2356478566 IYSBWLRXTOIYFZ-QQXMDYFESA-N 338.488 3.764 0 1 EHAF COc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 36387556 YYRIAUKCALANBX-AWEZNQCLSA-N 337.416 3.603 0 3 EHAF CCCCn1nnnc1[C@@H](c1ccccc1)N1CCc2ccccc2C1 95569377 WQTKMTSJVNOMIA-HXUWFJFHSA-N 347.466 3.621 0 3 EHAF O=C(c1ccc(F)cc1Cl)N(Cc1ccccn1)C[C@@H]1CCCO1 201457267 NUUOFLNXQRFFFS-HNNXBMFYSA-N 348.805 3.696 0 3 EHAF COc1ccccc1C=CC(=O)OC[C@H]1CCCN2CCCC[C@@H]12 2356386762 VWQUVTOLQIBAKW-MSOLQXFVSA-N 329.440 3.516 0 1 EHAF OC1=C2C(=Nc3cc4c(cc3[C@H]2c2ccc(F)cc2)OCO4)CO1 101919312 HQLDRFOGWGLUIT-MRXNPFEDSA-N 325.295 3.572 0 1 EHAF COc1cc2c(c(-c3ccc4c(c3)OCO4)c1OC)[C@H](C)N(C)CC2 64491850 IXLKLUBARCZLGR-LBPRGKRZSA-N 341.407 3.648 0 1 EHAF CCOC(=O)[C@]1(C)CCCN(C(=O)c2ccc3ccccc3c2)C1 61896953 QRNUDXZDNDMNDG-HXUWFJFHSA-N 325.408 3.645 0 3 EHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)[C@H](O)C[C@]2(C)C(C)=C[C@@H](O)C[C@@H]21 2356456070 QKDIWLCDONOATB-ZLDOSZBNSA-N 336.472 3.538 0 1 EHAF S=C(NCCN1CCCCC1)Nc1c(Cl)cccc1Cl 28771394 SYCHXPSXSTYJRJ-UHFFFAOYSA-N 332.300 3.766 0 1 EHAF C[C@@H]1C(=O)C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3[C@H]1C 40670560 OPCNDODYLHTBLM-UMBRSOPXSA-N 339.479 3.532 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC(=O)[C@H]32)C1 80395572 VEIFMBQHUYNEPN-FNIKZQHKSA-N 346.467 3.709 0 1 EHAF CNC1CN([C@H]2c3ccccc3CSc3ccc(Cl)cc32)C1 95856774 USBWBIQDWGHDQK-SFHVURJKSA-N 330.884 3.939 0 1 EHAF Cc1cccc(NC(=O)c2nc(C)cc3cc(-c4cccnc4)[nH]c23)n1 95573689 LGVSTMMXQNJXTQ-UHFFFAOYSA-N 343.390 3.889 0 1 EHAF Cc1cnccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587773130 IEGKDVPVXQUAJR-QFYYESIMSA-N 335.220 3.915 0 1 EHAF Sc1nc(S)c2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2n1 587086814 GDMKNPYJAIBCBO-UHFFFAOYSA-N 333.829 3.732 0 1 EHAF CC[C@H](Oc1ccccc1Cl)c1nc2c(O)nc(S)nc2[nH]1 587062411 SDQCIJIEWWWPCX-QMMMGPOBSA-N 336.804 3.531 0 1 EHAF O=C(O)Cc1c(-c2cc(Cl)ccc2O)nc2cccc3c2c1CC3 587208998 FANUNGWAHPSBNE-UHFFFAOYSA-N 339.778 3.987 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1Cc1ccccn1)O2 587391212 QHEZVHRIOYOFLG-IBGZPJMESA-N 333.391 3.529 0 1 EHAF O=C(O)c1cc(F)cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587152077 JRZXFTIHJOIDGN-UWVGGRQHSA-N 332.281 3.950 0 1 EHAF COc1ccc(CCCc2nc3c(Cl)ccnc3[nH]2)cc1OC 587925190 CFRGAVYZLZFNIJ-UHFFFAOYSA-N 331.803 3.804 0 1 EHAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(=O)OC)cc3[nH]2)s1 587014537 MYKSMJGYLUHGEP-SNVBAGLBSA-N 345.424 3.879 0 1 EHAF Fc1cccc([C@@H]2C[C@H]2c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1F 587153125 WISFGVNWBMDNSG-JGVFFNPUSA-N 340.255 3.873 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)NCC1CC1 587863269 WQVRJBKXEFGRCY-UHFFFAOYSA-N 339.317 3.545 0 1 EHAF Cc1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2n1 587148324 IASLDZLTINOAEW-UHFFFAOYSA-N 325.322 3.612 0 1 EHAF O=C(CCCc1nc2cc(Cl)ncc2[nH]1)c1ccc(Cl)cn1 587082512 RAEXQBAEWKNVBP-UHFFFAOYSA-N 335.194 3.865 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ncccc32)N1 587777961 KGSBPLVWMVRWIQ-BMLIUANNSA-N 347.231 3.707 0 1 EHAF O=[S@](Cc1nc2cc(Cl)cc(Br)c2[nH]1)CC1CC1 586959167 LXPJBIJXNBXMAX-SFHVURJKSA-N 347.665 3.638 0 1 EHAF COc1cc(Cl)cc(C=O)c1OCc1nc2c(C)nc(C)cc2[nH]1 587066358 AWTAZBVTDTXJAY-UHFFFAOYSA-N 345.786 3.628 0 1 EHAF C[C@@]1(Cc2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587248 LUXTZXNAZFJBFP-NQIIRXRSSA-N 347.370 3.750 0 1 EHAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1cc(F)cc(Cl)c1)NCC2 962927026 DBLWNKYJLWLOKA-LJQANCHMSA-N 346.833 3.590 0 1 EHAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cccc(-c3ccco3)c1)NCC2 962932454 PMWOJBGZGUGJEM-NRFANRHFSA-N 346.430 3.884 0 1 EHAF CCCn1c(C)cc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c1C 963028470 PDIUEKOAWNBNJG-VFNWGFHPSA-N 337.467 3.658 0 1 EHAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)Cc1ncccc1C(=O)O 963243306 RMNZBWHKQBEGRL-YCRPNKLZSA-N 338.451 3.894 0 1 EHAF O=C(O)CCC(=O)N1c2ccccc2C[C@@H]1c1c[nH]c2ccccc12 5890385 UNLYVABGLGMBAE-GOSISDBHSA-N 334.375 3.663 0 1 EHAF CC(C)=CCN1Cc2cc(Cl)cc3nc(NC#N)n(c23)C[C@@H]1C 5890715 IKVFAKQWGKMLDP-LBPRGKRZSA-N 329.835 3.753 0 1 EHAF COc1cc(CCCC[C@@H](O)CCc2ccc(O)cc2)ccc1O 13341101 VSMCASNCIGBMTP-QGZVFWFLSA-N 330.424 3.813 0 1 EHAF COc1ccc(-c2onc(C)c2-c2ccc3c(c2)OCCO3)c(O)c1 18165307 CUNGLMWGFPBDBG-UHFFFAOYSA-N 339.347 3.802 0 1 EHAF COc1cc(N[C@H](C)CCCN[C@H](C)CCCN)c2ncccc2c1 169321321 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342.445 3.677 0 1 EHAF COc1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2C)CC3(C)C)cc1 169702153 BBGOLHPXSMJCFT-UHFFFAOYSA-N 349.438 3.771 0 1 EHAF O=C(Nc1cccc2c1C[C@@H](O)C2)N[C@H]1CC[C@H](c2ccccc2)C1 169704858 YZQTXNNYKDDAPW-SZMVWBNQSA-N 336.435 3.604 0 1 EHAF Cc1cc(-c2ccccc2C(=O)O)nc([C@H]2CCCN(C(C)C)C2)n1 299850950 PVJUYRHHIRDSNZ-HNNXBMFYSA-N 339.439 3.738 0 1 EHAF O=C1O/C(=C\c2nc3c(Cl)cnc(Cl)c3[nH]2)c2ccccc21 586906832 RMNIXNJIWOMIRQ-YHYXMXQVSA-N 332.146 3.933 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(Cc3sc(C)nc3C)nc2c1 587011823 KZTVTQRGPVWKRZ-UHFFFAOYSA-N 335.816 3.667 0 1 EHAF Fc1cnc(Cl)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 587040545 HYDYXRQVNJVKSA-RYUDHWBXSA-N 348.834 3.697 0 1 EHAF O=C1CSc2ccc(-c3nc4cnc5ccccc5c4[nH]3)cc2N1 587044459 XHTFTGDTLWNANH-UHFFFAOYSA-N 332.388 3.822 0 1 EHAF Clc1cnn(COc2cccc(-c3nc4cccnc4[nH]3)c2)c1 587081581 CSYAZWVBCVBNBY-UHFFFAOYSA-N 325.759 3.511 0 1 EHAF COC(=O)[C@H](N=O)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587105052 ZVTRRKQHYLDUCM-GOSISDBHSA-N 346.342 3.735 0 1 EHAF CCOC(=O)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587174207 OCNPMQWQNFSDIU-INIZCTEOSA-N 326.327 3.555 0 1 EHAF C[C@@]1(c2cn[nH]c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349285 UHHRYSSKJUKBCP-MJGOQNOKSA-N 338.338 3.529 0 1 EHAF COc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)O[C@@H](C)C2 587407917 FQGHBRLYLZNCTG-JEOXALJRSA-N 339.391 3.616 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]nnc1-c1ccccc1)CC2=O 587483913 NDYWZMDPHUAJRQ-QGZVFWFLSA-N 349.390 3.836 0 1 EHAF CO[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601205 RLGRDUYCOGPUJC-MBOZVWFJSA-N 340.375 3.682 0 1 EHAF COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cc(Cl)c(F)cc12 587631750 LJLSICRSKGXZII-UHFFFAOYSA-N 335.766 3.764 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(C)CC2)N1 587766185 GAKBPXAVQFPZAZ-QFYYESIMSA-N 341.268 3.505 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ncccc32)N1 587777963 KGSBPLVWMVRWIQ-DYZYQPBXSA-N 347.231 3.707 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccnc1C(C)C 587871416 GVMPHEJGHIGDBE-UHFFFAOYSA-N 326.375 3.991 0 1 EHAF 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CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N1CCOCC1 4215551 NOUGPRYMEUDNNN-RTBURBONSA-N 344.455 3.559 0 1 EHAF O=C(O)CCCCCCCCCCCCCCOC[C@H](O)CO 9970461 RWZSTWIUXVUUJT-QGZVFWFLSA-N 332.481 3.512 0 1 EHAF CNc1ccccc1C(=O)NCC1(c2ccccc2)CCC(=O)CC1 13488529 KQKDNARXKISFDR-UHFFFAOYSA-N 336.435 3.539 0 1 EHAF CCCc1cc(C(=O)OC)cc(C)c1O[C@@H](C(=O)O)c1ccccc1 13539263 LGERMXPSARQTDD-GOSISDBHSA-N 342.391 3.939 0 1 EHAF COc1ccc(Oc2ncccc2C(=O)NCc2ccccc2)cc1 13860730 OBSLWFYKNKDXGF-UHFFFAOYSA-N 334.375 3.813 0 1 EHAF COc1ccc(Nc2nnc(SCc3ccccc3OC)[nH]2)cc1 14964194 GNKKFOKAICLWIY-UHFFFAOYSA-N 342.424 3.858 0 1 EHAF CSc1nc2nc(C(=O)c3ccccc3)cn2c2c1CC[C@H](C)C2 28229672 ZHMYZKAJPBSRTE-LBPRGKRZSA-N 337.448 3.807 0 1 EHAF CCCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(O)c(C)c1 28568711 YFSOMSSQLXNETQ-UHFFFAOYSA-N 333.453 3.923 0 1 EHAF CC[C@H](C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O 28951013 KUSYVEXRVZWVBV-ZETCQYMHSA-N 348.255 3.551 0 1 EHAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 34468595 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1 EHAF O=Cc1ccc2c(c1)[C@H](c1cc(O)cc(O)c1)[C@H](c1ccc(O)cc1)O2 13340015 TYAYDVXOPBERFS-SFTDATJTSA-N 348.354 3.882 0 1 EHAF biogenic CCCCOc1c(OC)cc(N[C@@H](C)CCCN)c2ncccc12 28222816 YVYNLZPWIWURAF-AWEZNQCLSA-N 331.460 3.962 0 1 EHAF O=C(C(=O)N1CCC[C@@H]1Cc1ccccc1)c1c[nH]c2ccccc12 28771726 RXJAQIBDEJFUCL-MRXNPFEDSA-N 332.403 3.584 0 1 EHAF O=C(C(=O)N1CCC[C@H]1Cc1ccccc1)c1c[nH]c2ccccc12 28771729 RXJAQIBDEJFUCL-INIZCTEOSA-N 332.403 3.584 0 1 EHAF Oc1cccc2c1O[C@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3 40848623 YAVRYNWSOHJIGG-AGHHOFFYSA-N 335.447 3.892 0 1 EHAF OC[C@@H]1CCCN1c1nccnc1-c1ccccc1Oc1ccccc1 45355076 TZPSGRBDYQACCS-INIZCTEOSA-N 347.418 3.897 0 1 EHAF CC(C)Cc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1 66129556 MSGRUUZPEBNOPE-UHFFFAOYSA-N 344.198 3.592 0 1 EHAF COc1cc(Cl)ccc1O[C@H](c1cccc(C)c1)[C@@H]1CNCCO1 87723750 NUGRPPXOWJFLKG-RBUKOAKNSA-N 347.842 3.766 0 1 EHAF in-vitro C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@@H]1[C@]23C 95909474 MDGQYVICUGZAQD-NUXKTDFDSA-N 344.407 3.653 0 1 EHAF biogenic,in-vitro CC1(C)[C@@H](C(=O)NCCc2csc(Cl)c2)C1(Cl)Cl 103272407 SKCBWGQAPLHFDO-SECBINFHSA-N 326.676 3.890 0 1 EHAF CCOC(=O)[C@H](C)Oc1ccc(N(C)c2nc3ccccc3o2)cc1 103293834 WOMNKGNYXPTMEE-ZDUSSCGKSA-N 340.379 3.926 0 1 EHAF CCCCC[C@@H](O)CCCN(CCCCCCC(=O)O)C(C)=O 140056739 YYYQFRDORIBQFV-QGZVFWFLSA-N 329.481 3.591 0 1 EHAF CSCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 205047032 BLJWJCAQPDTGCS-UHFFFAOYSA-N 325.393 3.884 0 1 EHAF C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CC/C(=C\CO)CO 238774266 PMZIYJMAYWHWNG-LNSFHCIRSA-N 336.472 3.541 0 1 EHAF Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccccn4)cc3)c12 299856823 CFQFFHHUKUCBGI-UHFFFAOYSA-N 344.378 3.972 0 1 EHAF CN(C)CCOc1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586891071 SDUYPBKKAUPTFG-AVRDEDQJSA-N 347.462 3.875 0 1 EHAF COc1cncc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587017392 KXAIXMGDABSLAC-UHFFFAOYSA-N 343.799 3.805 0 1 EHAF Cc1ccnn1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104753 IIZINXOEASDMBV-UHFFFAOYSA-N 325.371 3.999 0 1 EHAF COc1cncc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135154 UMWLQFWUTVEFCO-NSCUHMNNSA-N 341.239 3.832 0 1 EHAF COC(=O)c1cc2[nH]c(/C=C\c3ccc(C)c(F)c3)nc2cc1OC 587146326 INMYRKUJLFQDCJ-SREVYHEPSA-N 340.354 3.976 0 1 EHAF CCOC(=O)COc1ccccc1-c1cc2c3c(cccc3n1)CC2 587212581 TVQJBLLKVXKWHL-UHFFFAOYSA-N 333.387 3.942 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c(Br)cn1)O2 587371709 MKYMCBJMUYMQQC-OAHLLOKOSA-N 347.212 3.750 0 1 EHAF COC[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418331 AIWWUQUBPJRLEH-DNVCBOLYSA-N 344.794 3.638 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)cc1O)CC2=O 587468222 IYVOMMCHTPVKGZ-IBGZPJMESA-N 341.407 3.823 0 1 EHAF CC(C)(O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587515283 NGYAEQMWRCKDNB-SFHVURJKSA-N 337.419 3.894 0 1 EHAF C=Cn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587762378 YEEFVFTUYYFUPX-RFAUZJTJSA-N 336.208 3.509 0 1 EHAF COc1ccc([C@H](O)[C@H](C)c2nc3cnc4ccccc4c3[nH]2)cc1 587934292 BUMFJHVSGABFDR-HXPMCKFVSA-N 333.391 3.957 0 1 EHAF O=C(O)c1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O 587945188 KGTFUQBAWKUIDC-CYBMUJFWSA-N 345.326 3.552 0 1 EHAF Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3ccccc3ncc21 653851989 UMBYKNBQKHGWDC-UHFFFAOYSA-N 343.308 3.896 0 1 EHAF NC(=O)N1CCc2sccc2[C@]1(CCc1ccccc1)C(F)F 962701818 KNODCTIFBNWVSW-QGZVFWFLSA-N 336.407 3.778 0 1 EHAF O=C(O)[C@@H]1C[C@H]2C[C@H]1[C@@]1(C2)c2ccsc2CCN1Cc1ccco1 962704209 JJFUMJFKNLQVNN-WRUATKAJSA-N 343.448 3.725 0 1 EHAF CCOC(=O)CCCCC[C@@]1(C(C)C)NCCc2c(C)ccnc21 963068870 LPROXMSCKHAWOJ-FQEVSTJZSA-N 332.488 3.901 0 1 EHAF CN(CCOc1cc(COc2cccc(Cl)c2)on1)CC1CC1 1857534126 RMKWLZDZMJLXAF-UHFFFAOYSA-N 336.819 3.628 0 1 EHAF CCC(C)=CCCC[C@H](C)CCO[P@](=O)(O)OP(=O)(O)O 2356319130 FFBTVOMODCZDNV-LBPRGKRZSA-N 344.281 3.766 0 1 EHAF O=C(CCc1nnc(C2CCCCC2)o1)NCc1ccc(F)c(F)c1 13596048 KMGGZRGGCYAETB-UHFFFAOYSA-N 349.381 3.645 0 3 EHAF C[C@H]1C(=O)c2ccc3c(c2[C@H](c2ccc4c(c2)OCO4)[C@H]1C)OCO3 14618715 ZTOORMQTJNUZOQ-RVPKQNPDSA-N 338.359 3.744 0 1 EHAF endogenous,in-man CCCCc1nc(C2=NO[C@@H](C(=O)Oc3ccccc3)C2)c(Cl)[nH]1 27197959 UYEJZVRPBKWHMF-CYBMUJFWSA-N 347.802 3.504 0 1 EHAF C[C@@H](Oc1ccc(Nc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O 29471717 IKTIGIUFHQDJHV-SNVBAGLBSA-N 343.770 3.879 0 1 EHAF CNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2 58590708 GLQTVCSMVNKIHA-UHFFFAOYSA-N 333.254 3.937 0 1 EHAF C=CC(=O)N1CCc2c(sc3ncnc(NC4CCCCC4)c23)C1 103297814 AMUZXNIZRCKPKL-UHFFFAOYSA-N 342.468 3.507 0 1 EHAF CC1=C2C[C@@H](O)[C@@]3(C)CC[C@@H](O3)[C@@H](C)CC/C=C(/C)C[C@H]2OC1=O 166636959 OFDXQVMWNHHDDC-DETNHLJJSA-N 334.456 3.683 0 1 EHAF Cc1cc(NCc2ccccn2)n2ncc(-c3ccccc3F)c2n1 473149971 KVQFLXKBGPLBRS-UHFFFAOYSA-N 333.370 3.851 0 1 EHAF COC(=O)[C@H]1CCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587106593 JVCKZFARGJNUEN-AWEZNQCLSA-N 329.355 3.649 0 1 EHAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(Cl)ccnc2[nH]1 587116425 WGWSNVQHNQETEW-UHFFFAOYSA-N 336.104 3.684 0 1 EHAF COc1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2n1 587227168 VVPLYIIPYBVZOU-AWEZNQCLSA-N 346.431 3.723 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc4cc(N)ccc4o3)nc2c1 587252230 UBXYCTVMFIGFJQ-UHFFFAOYSA-N 341.754 3.998 0 1 EHAF N=c1ccc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c[nH]1 587254104 GKLDOHUTHKZJAL-UHFFFAOYSA-N 330.391 3.540 0 1 EHAF CC[C@@]1(c2ccnc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421579 QCSVIADNLOHANQ-ACJLOTCBSA-N 329.783 3.797 0 1 EHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C)cn1 587868973 YTCFGEDJNWLGJR-UHFFFAOYSA-N 334.301 3.665 0 1 EHAF CC[C@@]1(Cc2nc3c(Cl)ncnc3[nH]2)CC(=O)c2ccccc2C1 587962603 XRKWVMYWLITQMX-SFHVURJKSA-N 340.814 3.774 0 1 EHAF C[C@]1(O)C[C@@](c2ccc(C(F)(F)F)cc2)([C@H](O)c2ccccn2)C1 653816471 RJTGEHOPZUVBMZ-ZACQAIPSSA-N 337.341 3.617 0 1 EHAF O=C(CCC(=O)c1ccccc1)O[C@@H](Cn1ccnc1)c1ccccc1 1772641955 KBKBKXYLFZFQLC-FQEVSTJZSA-N 348.402 3.831 0 1 EHAF COc1ccc(CN=c2[nH]nc(N3CCCCC3)c3ccccc23)cc1 1857562563 RZSVRGACHIFVSJ-UHFFFAOYSA-N 348.450 3.663 0 1 EHAF Cn1ccc2cc(-c3cn4c(-c5ccncc5)cnc4cn3)ccc21 1857620439 WNUHRMJBDKCRND-UHFFFAOYSA-N 325.375 3.950 0 1 EHAF C[C@H](CCO)CC[C@]1(C)[C@H](C)CC[C@]2(CO)C(C(=O)O)=CCC[C@@H]21 2356646759 OJYNMAREYBQEPO-DBSUQTKJSA-N 338.488 3.621 0 1 EHAF CCc1ccc([C@H]2C[C@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1 13132351 DEJWWXMHDWENOF-QZTJIDSGSA-N 333.439 3.877 0 3 EHAF C[C@H](C(=O)NC1CCCC1)n1c(-c2ccncc2)nc2ccccc21 95602355 NTSPXSLXKFRYRZ-CQSZACIVSA-N 334.423 3.718 0 3 EHAF C[C@H]1CCCCN1C(=O)c1cc2c(=O)[nH]c3ccccc3c2s1 429573 UNEYTFRJCZQQPB-NSHDSACASA-N 326.421 3.757 0 1 EHAF S=C(NCc1ccco1)N1CCC(c2nc3ccccc3o2)CC1 1327238 NAUNIWOZOCONJY-UHFFFAOYSA-N 341.436 3.675 0 3 EHAF C[C@@H]1CCCCN1C(=O)c1nn(C)c2c1CSc1ccccc1-2 6817590 SZJRELQXHWGBKT-GFCCVEGCSA-N 327.453 3.707 0 1 EHAF O=C1[C@H]([C@H](O)c2ccc3ccccc3n2)CCCN1Cc1ccccc1 103295702 GKEQPPKDUAESCX-RXVVDRJESA-N 346.430 3.707 0 1 EHAF CC[C@H](C)Oc1ccccc1NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2C 102168939 DMHVEJOTAOYRLU-BPUTZDHNSA-N 331.460 3.611 0 1 EHAF CCN1C(=O)N(C2CCN(Cc3ccccc3)CC2)[C@@H]2CCCC[C@H]21 28764608 NNSXGWNBPXSNGF-WOJBJXKFSA-N 341.499 3.720 0 1 EHAF Cc1cnc(C)c(Nc2nc([C@@H](N)Cc3ccccc3)cs2)n1 61907206 NDIKVNRFBZSOOI-AWEZNQCLSA-N 325.441 3.536 0 3 EHAF Cc1ccc(C)n2nc(CCc3nc(-c4cccs4)cn3C)nc12 117870107 VEHGAPOHXHTOEB-UHFFFAOYSA-N 337.452 3.593 0 1 EHAF COc1cc2c(c(OC)c1OC)[C@@H](c1ccc3c(c1)OCO3)CC2 26497632 HCDRGLJHCJKTON-CYBMUJFWSA-N 328.364 3.519 0 1 EHAF CO[C@@]1(C)C[C@H](c2ccc(O)cc2)c2c(c3ccccc3oc2=O)O1 27560933 ADZNYMHOFIXDFZ-FOIQADDNSA-N 338.359 3.776 0 1 EHAF CC1(C)Oc2ccc3c(c2C[C@H]1O)O[C@@H](c1ccc(O)cc1)CC3 14723947 MWPKKKZPSWEABN-SJLPKXTDSA-N 326.392 3.533 0 1 EHAF biogenic CC(C)c1ccc2c(c1O)CC[C@@H]1[C@](C)(C(=O)O)C[C@@H](O)C[C@@]21C 13480853 FISWABMBZRVIKJ-GOORORONSA-N 332.440 3.581 0 1 EHAF biogenic COc1cc2c(cc1OC)-c1c(-c3cncs3)nc(C)n1CC2 84617272 OQHKHTONZCAETM-UHFFFAOYSA-N 327.409 3.555 0 1 EHAF CC(=O)Nc1cccc(Oc2cc(N(C)C3CCCCC3)ncn2)c1 82067818 IEBGQFHXCVKUPX-UHFFFAOYSA-N 340.427 3.996 0 1 EHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cccc(C)c2[nH]1 586973053 MOIBBLFVBRWHPU-KRWDZBQOSA-N 339.464 3.982 0 1 EHAF Brc1cc2c(cc1/C=C\c1nc3cnccc3[nH]1)OCO2 586998994 RJYLRRGCZODDBY-UPHRSURJSA-N 344.168 3.620 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccn2C)N1 587752126 BSZFEYJCCRGWBC-QLJPJBMISA-N 337.236 3.724 0 1 EHAF CCn1cc(Br)c(Cc2nc3cc(C)cc(F)c3[nH]2)n1 587000467 NZPXEYWBEPRBGQ-UHFFFAOYSA-N 337.196 3.580 0 1 EHAF CCc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 587038054 CAFCHRPCYADUSZ-UHFFFAOYSA-N 345.428 3.991 0 1 EHAF COc1cc(-c2nc3cc(F)c(F)cc3[nH]2)nn1-c1ccccc1F 587155797 HKOJVKAHYDSTKG-UHFFFAOYSA-N 344.296 3.842 0 1 EHAF Cc1nc([C@H]2NCCc3ccc(F)c(C)c32)sc1Br 962090347 IKPJRCAJKZMJNG-LBPRGKRZSA-N 341.249 3.897 0 1 EHAF Cc1cc(N2CCC(N(C)C3CCCC3)CC2)[nH]c2cc(=O)ccc1-2 13119874 INFOVAUGUMBKSM-UHFFFAOYSA-N 339.483 3.631 0 3 EHAF Cc1cc(C[C@H](N)C(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 13558858 JLTOIASKHIIHGN-IBGZPJMESA-N 341.451 3.678 0 1 EHAF COc1ccc(-c2ccccc2[C@H]2N[C@@H](C(=O)O)CC[C@@H]2C)cc1 7992027 OUYDJLDGKVKXPM-BKTGTZMESA-N 325.408 3.876 0 1 EHAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@H]2C(=O)CC[C@@H](C)[C@]12C 15058484 YZMCEIPMEWQHNJ-IMOFMZDESA-N 346.423 3.807 0 1 EHAF biogenic O[C@H](C[C@@H]1CCC[C@H](C[C@@H](O)c2ccccc2)N1)c1ccccc1 17379895 UMXDEQATKLAHCQ-PLACYPQZSA-N 325.452 3.745 0 1 EHAF biogenic COc1ccc(C2=NN(C(C)(C)C)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26566477 NWSUWPQBMXRCDD-HUUCEWRRSA-N 344.455 3.855 0 1 EHAF CCC(=CCN1Cc2cc(Cl)cc3[nH]c(=O)n(c23)C[C@H]1C)CC 26951985 WHTSSIODQOYDDM-GFCCVEGCSA-N 333.863 3.934 0 1 EHAF CO/C=C(/C(=O)OC)c1ccccc1CSc1nc(C)cc(C)n1 35331925 JAHIZPAAPWFPIY-MHWRWJLKSA-N 344.436 3.546 0 1 EHAF Cc1cc(C)nc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)n1 40901253 TUJCAFHFBFZQLM-MUGCCGGLSA-N 343.496 3.716 0 1 EHAF O=c1cc(CCCC2(C3CC3)CC2)c2c(O)nc(C(F)F)nc2o1 66076599 JACYLBDBFSDTMN-UHFFFAOYSA-N 336.338 3.739 0 1 EHAF CCOc1ccccc1-c1nc(CN(CC)CCN(CC)CC)co1 72182107 QMIZFZDZPDMRPW-UHFFFAOYSA-N 345.487 3.904 0 1 EHAF CCCCc1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231726 URNPCBGMGVKOPO-YOEHRIQHSA-N 340.471 3.820 0 1 EHAF CN1CCC[C@H]1c1nc(O)c2oc3ccc(Br)cc3c2n1 84758339 BNLHKRKGCKUVHA-JTQLQIEISA-N 348.200 3.611 0 1 EHAF CN(C(=O)c1ccc(Nc2ccccc2C(N)=O)cc1)c1ccccc1 95578317 YOCXBBQUCFIHLQ-UHFFFAOYSA-N 345.402 3.806 0 1 EHAF CSc1nc(Oc2ccc(C(=O)O)cc2)cc(C(F)(F)F)n1 100982473 XHHQQJNEPSUATP-UHFFFAOYSA-N 330.287 3.708 0 1 EHAF C[C@@H]1CC(=O)C[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 101761363 HOYGOGLDLPJTHF-MVMQPQNDSA-N 339.479 3.676 0 1 EHAF CCCCC[C@@H]1/C=C\[C@@H]2C(=O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 169366226 HZYSFMCHNGCKLZ-VCVUTFOXSA-N 334.456 3.731 0 1 EHAF CCCCC[C@@H]1C=C[C@@H]2C(=O)C[C@H](O)[C@@H]2CC=CCCCC(=O)O1 253685824 HZYSFMCHNGCKLZ-BDXSIMOUSA-N 334.456 3.731 0 1 EHAF Cc1cncc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 587023966 XWQJLJVGRNPSAA-UHFFFAOYSA-N 331.401 3.737 0 1 EHAF CC(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 587070608 SLXYHYKPZZCKEX-CQSZACIVSA-N 327.815 3.704 0 1 EHAF CCS(=O)(=O)c1ccc2nc(/C=C\c3ccc(C)c(F)c3)[nH]c2c1 587146430 LNXLKMLJDLOIIL-TWGQIWQCSA-N 344.411 3.974 0 1 EHAF CS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587152785 QOPAWYBLFGBAPN-VXGBXAGGSA-N 348.374 3.516 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)c(-c3ccccc3)n1)O2 587392081 WCJYOVKHFFCLJT-GOSISDBHSA-N 333.391 3.684 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(=O)O)c(C)cc1C)O2 587406332 GFNBJIFHBCIKHS-KRWDZBQOSA-N 325.364 3.599 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1oc4ccccc4c1N)[C@@H](C2)C3=O 587434503 WNQSFPILEQNRIG-RNODOKPDSA-N 335.359 3.686 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CN1CCCC[C@H]1C)CC2=O 587479557 UJHNGOAAGZRGTG-VLIAUNLRSA-N 331.456 3.943 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1sc(N(C)C)nc1C)CC2=O 587494299 KVHUAXONTXRVBA-OAHLLOKOSA-N 346.452 3.882 0 1 EHAF COC(=O)C[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587520704 ATOVCOLSSLROBJ-HXUWFJFHSA-N 330.424 3.879 0 1 EHAF O=Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587601169 FLMZVSSJSDMZQG-NQIIRXRSSA-N 346.338 3.908 0 1 EHAF COc1cccc(C2=C[C@H](c3ccc(Cl)cc3)NC(=S)N2)c1 1772641678 HVJVBTBJZIZXMG-OAHLLOKOSA-N 330.840 3.909 0 1 EHAF CN(C)[C@H]1CC[C@H](Nc2ncnc3ccc(Br)cc23)CC1 1772648632 HVAGKLZKSAONKO-JOCQHMNTSA-N 349.276 3.677 0 1 EHAF CC=C(C)C(=O)OC[C@]1(O)CC[C@H](C(C)C)[C@@H]2[C@H](C(C)=O)CC[C@H]21 2356563980 HCLBHWFWGBSTRW-KWXDATOUSA-N 336.472 3.524 0 1 EHAF CO[C@@H](C=Cc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1 2356407475 ZZFXUFPDEDISBX-PMACEKPBSA-N 328.408 3.510 0 1 EHAF CCOC(=O)c1[nH]c(C)c(C(=O)N[C@@H](CC)c2cccs2)c1C 6800476 UQUPPVRURIQOLC-LBPRGKRZSA-N 334.441 3.751 0 1 EHAF Cc1oc2ncn3nc(-c4cc(-c5ccc(F)cc5)[nH]n4)nc3c2c1C 6974069 VLRRKFLQAAQCIF-UHFFFAOYSA-N 348.341 3.684 0 1 EHAF C[C@H]1CCCCN1CCn1cnc2c3cc(Cl)ccc3nc-2c1O 103903768 ICTWUWMKJJFGRT-LBPRGKRZSA-N 344.846 3.770 0 1 EHAF CC(C)CCC(=O)[C@H](C)CCC[C@]1(C)OC[C@H](CCO)CC[C@H]1O 27887239 BXKQYIKPTRBPOZ-BWPNAZKDSA-N 342.520 3.727 0 1 EHAF C[C@@H]1CCCCN1CCn1cnc2c3cc(Cl)ccc3nc-2c1O 103903764 ICTWUWMKJJFGRT-GFCCVEGCSA-N 344.846 3.770 0 1 EHAF O=C1c2cccc(O)c2N[C@@H](c2c[nH]c3ccccc23)[C@H]2CC=CN12 2356327946 LPMXORSOJRRADU-AEFFLSMTSA-N 331.375 3.769 0 1 EHAF CC(C)(Oc1ccc(NC(=O)Nc2ccc(F)cc2)cc1)C(=O)O 26401651 UQTYERHVRMMFOB-UHFFFAOYSA-N 332.331 3.712 0 1 EHAF Cc1ccc(Cl)cc1Nc1nccc(C2=CNN3C=CC=C[C@@H]23)n1 28975986 FRDNBMXEMREJPD-KRWDZBQOSA-N 337.814 3.795 0 1 EHAF CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 72104289 LJWOEHFLMUWVTR-SFHVURJKSA-N 336.435 3.700 0 1 EHAF COc1cc(OC)c([C@H](CCc2ccccc2)OC)c(O)c1OC 14652433 IDYOBGQLTBGLKO-AWEZNQCLSA-N 332.396 3.738 0 1 EHAF biogenic CC(C)C[C@@H](C(=O)NC(=O)N(C)C)c1ccc(Cl)c(Cl)c1 49783709 BFRONHMFHXJUJB-LLVKDONJSA-N 331.243 3.921 0 1 EHAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NC1CCCCC1 82212873 IBQABPKCPJJTJS-UHFFFAOYSA-N 343.519 3.594 0 1 EHAF O=C(NCC(F)(F)c1ccccc1)Nc1ccc2nnsc2c1 95583790 QEUAYHHEOAQERP-UHFFFAOYSA-N 334.351 3.605 0 1 EHAF Cc1cc(C)c2c(OCCOCCOc3ccccc3)nsc2n1 96910902 LTSMYYPIPCJLFD-UHFFFAOYSA-N 344.436 3.783 0 1 EHAF O=C(NCc1ccccn1)c1nc2cc(C(F)(F)F)ccc2s1 653805008 PINOYRWHPZIUTN-UHFFFAOYSA-N 337.326 3.640 0 1 EHAF COc1cc2ncnc(Nc3cc(F)cc(O)c3C)c2cc1OC 653720546 SILQLNZGVCITBV-UHFFFAOYSA-N 329.331 3.544 0 1 EHAF Cc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1Cl 587127965 DZABYEDFCONESM-UHFFFAOYSA-N 334.717 3.567 0 1 EHAF COc1ccc([C@H](C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587401132 VPPPHWUFENWJFO-KPZWWZAWSA-N 341.407 3.732 0 1 EHAF CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2cccc(F)c12 587635001 XQZGLURHVSTVFP-UHFFFAOYSA-N 329.302 3.859 0 1 EHAF C[C@]1(c2cn[nH]c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349288 UHHRYSSKJUKBCP-PKOBYXMFSA-N 338.338 3.529 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(CCO)cc1)CC2=O 587490109 QKYKVLNKSMUMEE-IBGZPJMESA-N 326.392 3.586 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccccc1-n1ccnc1C)[C@@H](C2)C3=O 587431295 NMFAZXWAJDCCGP-HRAATJIYSA-N 346.386 3.678 0 1 EHAF Clc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 587039773 FTLJWHYPMIVDAN-TZMCWYRMSA-N 330.844 3.558 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3nccnc3c1)CC2=O 587483193 LIMAMJZAVTUSFA-IBGZPJMESA-N 334.375 3.994 0 1 EHAF Fc1c(F)c(F)c(/C=C/c2nc3nc(Cl)c[nH]c-3n2)c(F)c1F 587133948 FYDFXWLJZNMHKE-OWOJBTEDSA-N 346.646 3.824 0 1 EHAF CC[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587398638 GHRKHJWCCDSTIL-FQEVSTJZSA-N 341.407 3.865 0 1 EHAF CC(C)(C)OC(=O)NC[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4 587212122 DBDBHSZOAMBTNB-CYBMUJFWSA-N 338.451 3.963 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C=O)cc(C)c1O)CC2=O 587478205 ABMZIWFZEYXZFF-GOSISDBHSA-N 340.375 3.878 0 1 EHAF NS(=O)(=O)c1cccc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587966759 DBFJTQPVJCCMEV-VAWYXSNFSA-N 349.415 3.534 0 1 EHAF CC(C)(C)C(=O)Nc1cccc(-c2nc3nc(Cl)c[nH]c-3n2)c1 587241684 HBENHNAVWPGAPW-UHFFFAOYSA-N 329.791 3.610 0 1 EHAF Cc1c(Br)cnc2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc12 586903891 QVXSQFUPYHHFCL-DGCLKSJQSA-N 344.212 3.598 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)NC1CCCCCC1)O2 587391416 TTYQUGWWTSCTGU-HXUWFJFHSA-N 344.455 3.530 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)nc1C)CC2=O 587479060 ATQAHWUFEHCRPF-IBGZPJMESA-N 327.380 3.634 0 1 EHAF COCCOC[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587523037 MMWMOPROARUVES-OAQYLSRUSA-N 346.467 3.979 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ncccn3)cc1)O2 587394520 WWLJFCLYGQEOKO-GOSISDBHSA-N 331.375 3.741 0 1 EHAF O=C(O)CCc1ccc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1 963099834 AXVQLVKAVIZPSK-UWJYYQICSA-N 339.410 3.953 0 1 EHAF CN1CCc2cn(C)nc2[C@@]1(CCc1cc(F)cc(Cl)c1)C1CC1 963953617 BLZZJWJGUKVFMH-LJQANCHMSA-N 347.865 3.939 0 1 EHAF CCOC(=O)c1c(-c2cccc(Br)c2)nn2ccccc12 1772583295 DOMMNNCJESOWRC-UHFFFAOYSA-N 345.196 3.941 0 1 EHAF O=C([C@@H]1CS[C@H](c2cccnc2)N1)n1ccc2c(Cl)cccc21 13737432 HRZRCKXBQCMKEH-GOEBONIOSA-N 343.839 3.734 0 1 EHAF CCCSc1cc(C(=O)O)cc(NC=O)c1C(=O)c1ccccc1 169343309 JCEAGEHWRGIJOU-UHFFFAOYSA-N 343.404 3.686 0 1 EHAF COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC[C@@H](O)CCCC=C2 1857627590 NGLVGORGJHOUAU-HOCLYGCPSA-N 348.439 3.977 0 1 EHAF O=C(Nc1cccc(-c2cccc(O)c2F)n1)c1ccc(F)c(O)c1 1857634157 WYPWQNYYSUUTPS-UHFFFAOYSA-N 342.301 3.690 0 1 EHAF CCOCc1c(O)cc(C)c2c1Oc1c(C)cc(O)c(C)c1OC2=O 2356367013 UPLPKXOWMHGSDS-UHFFFAOYSA-N 344.363 3.884 0 1 EHAF COc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1C 103260540 ZDUWLPCQKXCJJT-SFHVURJKSA-N 335.407 3.606 0 1 EHAF CCn1nc2c(c1C(=O)NCc1ccc(C(C)(C)C)cc1)CCC2 103187716 NRCMMLCJICLHQO-UHFFFAOYSA-N 325.456 3.619 0 1 EHAF C[C@](O)(C(=O)Nc1cccc(OCc2ccccc2)c1)C(F)(F)F 26378836 USEOFJVPHKTVII-INIZCTEOSA-N 339.313 3.517 0 1 EHAF CCCNC(=O)c1nnc2c(-c3cc(C)ccc3C)cccc2c1N 71294642 NTSIBLRVVRGOLO-UHFFFAOYSA-N 334.423 3.636 0 1 EHAF CC1(C)C[C@]2(CN(Cc3ccccc3)C(=O)CO2)c2ccccc2O1 40874227 YRLHXNUPPMPZAP-NRFANRHFSA-N 337.419 3.502 0 1 EHAF COc1ccc([C@@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1N 45289614 ITOLSPXRTLZFDI-KBPBESRZSA-N 329.396 3.574 0 1 EHAF C/C(=C\CO)CC[C@]1(C)[C@@H](C)C[C@H](O)[C@]2(C)C(C(=O)O)=CCC[C@H]21 238779507 GTOZGWPAQKVWLE-STOHGWAJSA-N 336.472 3.540 0 1 EHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(F)cc2)n1 142095142 JQRQRZHDVNMQMO-SWLSCSKDSA-N 344.390 3.770 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@]2(C)CCCO2)N1 587834167 QSKCQOSDUJEADV-GTTSAUCSSA-N 342.252 3.907 0 1 EHAF COc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OC[C@@H]1CO1 587215771 MTEKQMFLEJVBSA-INIZCTEOSA-N 333.387 3.787 0 1 EHAF O=C(O)/C=C/c1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586878695 GTDXWIGRWBINKX-AATRIKPKSA-N 336.244 3.884 0 1 EHAF O=C([C@@H]1CCN1Cc1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587877019 ZDWVKRZQEQDTFO-KRWDZBQOSA-N 349.365 3.710 0 1 EHAF Cc1oc2c(c1-c1nc3ccc(Br)nc3[nH]1)C(=O)CCC2 586903323 JGLPURNJEMOIBI-UHFFFAOYSA-N 346.184 3.808 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(Cn1cnc(C)c1C)CC2=O 587469484 FNVPFBHYMWDVBB-LJQANCHMSA-N 328.412 3.582 0 1 EHAF COC(=O)c1ccc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 587947545 XUCPXRONECPCIZ-CYBMUJFWSA-N 336.391 3.631 0 1 EHAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)s1 587014862 RXAHSMTWAZSXOP-MRVPVSSYSA-N 349.387 3.930 0 1 EHAF COc1ccc(C[C@@H](C)c2nc3cccc(C(=O)O)c3[nH]2)cc1OC 587926636 MNKQYTMBHVQYQB-LLVKDONJSA-N 340.379 3.625 0 1 EHAF COc1ccc2c(c1OC)[C@]1(CC(C)(C)OC1(C)C)N(C)[C@H](C)C2 962625241 LSRWRIQOAZEMOS-XCLFUZPHSA-N 333.472 3.753 0 1 EHAF Fc1cccc2c1[C@@H](c1cnnn1Cc1ccccc1)N1CCC[C@@H]1C2 963094021 KZTHNIAVCMJXLI-DYESRHJHSA-N 348.425 3.575 0 1 EHAF CN(CCN1CCCC1)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 19365785 XOVFYKRTWRZVSX-HNNXBMFYSA-N 327.299 3.878 0 1 EHAF CN1CCN([C@H]2Cc3ccc(F)cc3Sc3ccccc32)CC1 19802275 PICQGXBCTSFNCV-KRWDZBQOSA-N 328.456 3.822 0 1 EHAF CC1=CCC[C@@H]2[C@@](C)(CC/C(=C/C(=O)O)CO)[C@H](C)C[C@H](O)[C@@]12C 209645005 WRCVUQWHXHGCEC-NWYVXELLSA-N 336.472 3.540 0 1 EHAF CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H]2OC(=O)CCCC=CC[C@@H]21 253633383 LJEHYEYWZYPKKY-UZRFKCCRSA-N 334.456 3.731 0 1 EHAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@H]1c1ccc(OC)cc1 406589 OLFPSPKYBVMMQN-FDCFBWIESA-N 345.395 3.506 0 1 EHAF CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 3895548 MNAWVYVJBYBTFK-OAUYIBNBSA-N 342.464 3.573 0 1 EHAF CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4211859 UYUSJPFZSHEEPY-ZFWWWQNUSA-N 334.828 3.582 0 1 EHAF CSc1ccc(C2=C3c4cc(C)ccc4CC[C@@]3(O)OC2=O)cc1 13489704 LIYDQWDBNPWLMK-HXUWFJFHSA-N 338.428 3.819 0 1 EHAF CCOC(=O)N1CC[C@@H](c2ccc(OC)c(OC3CCCC3)c2)C1 13741098 UKOSFGICFAWANG-OAHLLOKOSA-N 333.428 3.962 0 1 EHAF c1ccc(Cn2c(Cn3nnc4ccccc43)nc3ccccc32)cc1 26269348 KKKNJYGFPMUDLF-UHFFFAOYSA-N 339.402 3.878 0 1 EHAF COc1cc2c(cc1OC)-c1ncc3cc(OC)c(OC)cc3c1C2 28462528 LKHHWBZGLIJVDB-UHFFFAOYSA-N 337.375 3.840 0 1 EHAF Cc1cccc(N(C)c2cc(Cl)nc(SCC(=O)O)n2)c1C 29390280 QPKAYXPTNWRYPX-UHFFFAOYSA-N 337.832 3.691 0 1 EHAF NCCCCCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 40875189 UXJXXAOJZYIMOU-QOCHGBHMSA-N 346.906 3.836 0 1 EHAF CC(=O)Nc1cccc(S(=O)(=O)Oc2ccccc2C(C)C)c1 55953541 NBBPLMGYFUWVBE-UHFFFAOYSA-N 333.409 3.536 0 1 EHAF COC(=O)c1sc2cc(Nc3ccc4[nH]ccc4c3)cnc2c1N 66252207 LVAAYOOBJSPWHB-UHFFFAOYSA-N 338.392 3.890 0 1 EHAF CC(C)(C)c1cc(Nc2nc(N3CCCCC3)nc3c2CCC3)n[nH]1 299871564 YQUHLTMLLQXFIL-UHFFFAOYSA-N 340.475 3.720 0 1 EHAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(O)c3[nH]2)cs1 587020401 RETRKUXMQHHBCJ-UHFFFAOYSA-N 346.412 3.663 0 1 EHAF O=C(Nc1ccccc1Cl)c1nc2c(F)c(F)c(F)cc2[nH]1 587060477 NGUSIAYMRUTAAW-UHFFFAOYSA-N 325.677 3.886 0 1 EHAF Sc1nc(S)c2nc(-c3cc(Cl)nc4ccccc34)[nH]c2n1 587084571 CMXXAGWCJGJFCP-UHFFFAOYSA-N 345.840 3.799 0 1 EHAF COC(=O)c1cccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c12 587095689 QUWTYEMIULUSGA-UHFFFAOYSA-N 335.285 3.618 0 1 EHAF Oc1nc2cc3nc(-c4ccc(C(F)(F)F)cc4F)[nH]c3cc2[nH]1 587110075 RPINKCBVXFZMNM-UHFFFAOYSA-N 336.248 3.970 0 1 EHAF Cc1ccc(/C=C/c2nc3nc(Br)c[nH]c-3n2)cc1F 587146365 JNBPQTVPIWZLGJ-SNAWJCMRSA-N 333.164 3.685 0 1 EHAF COC(=O)c1ccnc2[nH]c([C@@H](C)CSc3ccc(F)cc3)nc12 587171694 RCDXTVSJXXADNZ-JTQLQIEISA-N 345.399 3.779 0 1 EHAF COc1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2n1 587227169 VVPLYIIPYBVZOU-CQSZACIVSA-N 346.431 3.723 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cn3cccn3)cc1)O2 587390908 KBKVJXHSOHLUBX-IBGZPJMESA-N 333.391 3.529 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1nc(-c3ccccc3)no1)O2 587394960 LXMJIOTXCHXCDO-FQEVSTJZSA-N 349.390 3.594 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ncc[nH]1)(C1CCCCC1)O2 587398004 ZRQTVVZGRMFRLQ-LJQANCHMSA-N 325.412 3.741 0 1 EHAF COc1cccc(C[C@]2(C3CC3)CC(=O)c3cc(C)cc(N)c3O2)c1 587403471 MOHCSNOAEFFFQZ-OAQYLSRUSA-N 337.419 3.943 0 1 EHAF CC[C@@]1(c2cc(F)c(O)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423464 KCGPROHSCWRKKX-BLVKFPJESA-N 346.329 3.732 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc4cccc(OC)c4o1)[C@@H](C2)C3=O 587456890 YEFGYDKUFKNSLE-RBZFPXEDSA-N 336.343 3.939 0 1 EHAF CC(C)OCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592347 GRTBHJOZEZDYRX-PXNSSMCTSA-N 342.391 3.928 0 1 EHAF COc1ccc([C@H]2C[C@@](C)(F)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1 1772633642 JKTGAMFHACPSFR-WSIUPNEHSA-N 336.403 3.589 0 1 EHAF O[C@@H](CCc1ccc(F)cc1)C[C@@H](O)c1cc(-c2ccccc2)on1 1857637675 WHZZOUAWQDHAKK-PKOBYXMFSA-N 341.382 3.898 0 1 EHAF O=C1c2cccc(O)c2N[C@H](c2c[nH]c3ccccc23)[C@H]2CC=CN12 2356327948 LPMXORSOJRRADU-SJLPKXTDSA-N 331.375 3.769 0 1 EHAF CC(=O)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356469881 FGDFFHLIMDMCJI-VLWKOFFBSA-N 334.500 3.566 0 1 EHAF CC(C)[C@@H]1O[C@H](CCc2ccccc2)CC2=C1C(=O)OC(C)(C)O2 95603400 AKTGUGCXOHLDGU-QAPCUYQASA-N 330.424 3.996 0 3 EHAF COc1ccc2c(c1)C[C@@H](CNC[C@H](O)c1cccc(Cl)c1)CC2 4637893 PYINOBOAVYEMER-XOBRGWDASA-N 345.870 3.777 0 1 EHAF COc1cc(C(=O)O)nc2ccc(NC(=O)c3ccc(C)cc3)cc12 13603664 FCMRMLLOLIWOEE-UHFFFAOYSA-N 336.347 3.502 0 1 EHAF Clc1cccc(COC[C@H](c2ccccc2)N2CCNCC2)c1 22926733 OZEMABLVUYGXRL-LJQANCHMSA-N 330.859 3.503 0 1 EHAF COC(=O)c1c[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1 26657960 UTJZEIWHLFGFPH-UHFFFAOYSA-N 333.387 3.932 0 1 EHAF C[C@@H](CNc1ccc2[nH]ncc2c1)Oc1cccc2ccc(N)nc12 28390516 IRYAHSYMWMUCIZ-LBPRGKRZSA-N 333.395 3.573 0 1 EHAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CNC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 49054738 UOHCSROFYMVISA-HGDYXINXSA-N 347.499 3.687 0 1 EHAF CC[C@@H](C)NC(=O)c1cnc(N2CCCC2)nc1-c1cccc(C)c1 82146568 VMWMIFYMMOAYSZ-OAHLLOKOSA-N 338.455 3.581 0 1 EHAF CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCC3CC3)ncnc21 82181430 HJLWDBSDQXPBKY-CYBMUJFWSA-N 336.443 3.756 0 1 EHAF O=C(NC(=O)c1ccccc1O)c1ccc(OCc2ccccc2)cc1 84710873 AHKBIMIYSCFROE-UHFFFAOYSA-N 347.370 3.541 0 1 EHAF COc1ccccc1/C=C/C(=O)Nc1ccc2nc(C)cc(N)c2c1 103236430 RIQJMJBCFFXAJI-JXMROGBWSA-N 333.391 3.786 0 1 EHAF COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C2CCCCC2)n1 150151807 LELCIEQQGKKZQA-WBVHZDCISA-N 344.455 3.591 0 1 EHAF CC(=O)N1CCC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169367632 PAPPHBRFOXAGKW-BUAHTRFOSA-N 333.516 3.991 0 1 EHAF O=C(O)c1cn(C2CC2)c2ccc(Cc3ccc(F)cc3)cc2c1=O 299835399 DVBGIPCUXBRGEW-UHFFFAOYSA-N 337.350 3.765 0 1 EHAF Oc1cccc([C@H](O)c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 586889816 HEUWWWCGEPYYOP-ZDUSSCGKSA-N 340.326 3.962 0 1 EHAF OCCc1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587022115 UTARJCVQZONKOU-UHFFFAOYSA-N 335.432 3.812 0 1 EHAF N[C@@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@@H]1c1ccccc1F 587156993 QHZQSLXYGQLNHY-QZTNRIJFSA-N 339.267 3.600 0 1 EHAF O=C(O)CCC(=O)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587213364 QTVAPFRBOWMGHH-UHFFFAOYSA-N 346.386 3.804 0 1 EHAF N=c1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c2ccccc2[nH]1 587254471 UYAJSYRVTZVSQG-UHFFFAOYSA-N 332.260 3.747 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)c(F)c(F)c(F)c1F)O2 587381819 LTWDYKRMDLSYDW-SECBINFHSA-N 343.251 3.979 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(C(C)(C)C)c1C)[C@@H](C2)C3=O 587429617 AEDUKISMVRAHKN-VBKZILBWSA-N 340.423 3.618 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc4ccccc4cn1)[C@@H](C2)C3=O 587435358 FCWXAVPXODSNEQ-KKSFZXQISA-N 331.371 3.906 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2CCO[C@H]2C12CCC2 587491844 QDRAYJUZUPLHGX-QMIHWGKISA-N 328.408 3.638 0 1 EHAF Nc1ccc2c(c1)[C@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587511417 PXNJMTMVOCTXRO-NRFANRHFSA-N 335.403 3.791 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccncc1 587589190 WCFLHYKNHYHIKH-PKOBYXMFSA-N 347.370 3.750 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1Cc1ccccc1Br 587651000 KHZBXNVWQAAHRV-UHFFFAOYSA-N 349.615 3.861 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCO[C@H](C)C2)N1 587833219 MLWKMTMYOUTEQR-FCHSOHFDSA-N 328.225 3.517 0 1 EHAF COc1ccc(-c2cnc3cnc(-c4ccc(CO)cc4)cn23)cc1 653682377 AGWUPUCBBFKCRG-UHFFFAOYSA-N 331.375 3.564 0 1 EHAF Cc1cc(COc2cc(F)cc(F)c2F)nc(-c2ccccn2)n1 653794125 VCEHSGSQOFHHAA-UHFFFAOYSA-N 331.297 3.843 0 1 EHAF CC1(C)[C@H](c2ccccc2)C[C@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962901983 UZDYBXINYBZVAZ-HZUJVAHNSA-N 339.410 3.834 0 1 EHAF O=C1OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1 1201604310 QMZYZVGBMAHPDU-UHFFFAOYSA-N 336.435 3.721 0 1 EHAF COc1cc(C(=O)NC[C@@H](C)c2ccccc2)ccc1-c1cn[nH]c1 1772611005 ZSRGQQNNHDFZKU-CQSZACIVSA-N 335.407 3.619 0 1 EHAF C[C@H](O)CNc1cc(N2CCc3ccccc3C2)nc2ccccc12 1857745795 YKSLPHFCCBDTEM-HNNXBMFYSA-N 333.435 3.590 0 1 EHAF c1ccc(CN2CCN(C[C@@H]3CSC4(CCCCC4)O3)CC2)cc1 1911572512 ZBAJQMFEBGHQTH-LJQANCHMSA-N 346.540 3.597 0 1 EHAF CC=C1CN2CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@H]1CCOC 2356535086 OJQWEELBMCSJSY-KUHUBIRLSA-N 326.440 3.775 0 1 EHAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](CC=C(C)[C@H](O)CC1)[C@@H](C)C(=O)O2 2356799980 PNMCIBFBQPGVAE-VBEQINLCSA-N 336.472 3.523 0 1 EHAF O=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2=O)CCC4)CCC3 1645334 YCYKVXFWSKERCH-UHFFFAOYSA-N 328.411 3.828 0 1 EHAF CC1=C(C)C[C@H](C(=O)NCCCCc2ccccc2)[C@@H](C(=O)O)C1 3634573 FNCBFWRRGZNBOW-ROUUACIJSA-N 329.440 3.573 0 1 EHAF COc1cc(-c2oc3ccc([C@H](O)[C@H](C)O)cc3c2C)ccc1O 13340409 YUGNNXHPUAKQQQ-BBATYDOGSA-N 328.364 3.537 0 1 EHAF biogenic COC(=O)CCN(C)CCCOc1ccc(Cc2cccs2)cc1 13475303 NXZVXXACWZJUDZ-UHFFFAOYSA-N 347.480 3.603 0 1 EHAF O=c1c(-c2ccccc2)ccnn1[C@H](CN1CCCC1)c1ccccc1 13488434 ZQDCQWNIDZCDEA-OAQYLSRUSA-N 345.446 3.596 0 1 EHAF c1ccc(CCN2CCC(c3cc(-c4ccccn4)[nH]n3)CC2)cc1 13763837 RWEPTLSUVVSWHX-UHFFFAOYSA-N 332.451 3.894 0 1 EHAF CC(C)c1ccc(-c2cccc(F)c2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26836762 AHVDPZLQANCRDN-IAGOWNOFSA-N 345.414 3.874 0 1 EHAF CN(C)S(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1 29393217 OXCBKSZUXJXAGS-UHFFFAOYSA-N 344.411 3.534 0 1 EHAF CCCCC/C=C\C[C@H](O)/C=C/[C@H](O)[C@H]1C[C@@H]1[C@H]1CCCC(=O)O1 34353250 MYTQAYDWGRSARV-XPTHDSNDSA-N 336.472 3.523 0 1 EHAF O[C@@]1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)C1 40864122 PVPFHWKNLSESPB-IBGZPJMESA-N 326.827 3.915 0 1 EHAF in-vitro O=S(=O)(CCC(F)(F)F)Nc1ccncc1Nc1ccccc1 49014798 QAXARFDIAFRRRW-UHFFFAOYSA-N 345.346 3.519 0 1 EHAF COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C 53151295 OVLMCLBVTLFJPW-IINYFYTJSA-N 326.223 3.787 0 1 EHAF O=C(NCc1cccs1)c1ccc(C[S@@](=O)c2ccccc2)o1 58052371 GINCOFHRDZDATM-QHCPKHFHSA-N 345.445 3.579 0 1 EHAF COc1c(-c2ccc(F)cc2)oc2ccc(NC(C)=O)cc2c1=O 58574916 RISNVTJMKVEXAG-UHFFFAOYSA-N 327.311 3.566 0 1 EHAF O=C(Nc1ccccc1)c1ccc(N2CCc3ccccc3C2)nc1 95591769 KEOUDARHEWBGGK-UHFFFAOYSA-N 329.403 3.897 0 1 EHAF CC(=O)N(C)C[C@H]1C[C@H](c2ccc(CN3CCCC3)c(Cl)c2)C1 101589649 LQOGSAVOXSCLHL-RHNCMZPLSA-N 334.891 3.908 0 1 EHAF Cc1cc(N)c2cc(NC(=O)c3cc4ccccc4cn3)ccc2n1 103224706 IXLCFCNNNMLJGB-UHFFFAOYSA-N 328.375 3.926 0 1 EHAF CCSc1c(C)on(C(=O)N(C)c2ccc(Cl)cc2)c1=O 103288322 GPJZPDGAOWXSNN-UHFFFAOYSA-N 326.805 3.620 0 1 EHAF CCn1cc(-c2ccccc2)nc1CSc1nc2ccccn2n1 113425323 RUIBJBZHPLPNKA-UHFFFAOYSA-N 335.436 3.905 0 1 EHAF COc1ccc2c(c1)CN(Cc1ccc(C(=O)O)cc1)CCS2 205220285 JIGDAUOKKYKRKO-UHFFFAOYSA-N 329.421 3.501 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C=CC(C)=C2[C@H]2OC(=O)[C@@H](C)[C@H]12 238773898 APSKLIXBMOHBGY-WAGPENCCSA-N 328.408 3.649 0 1 EHAF COC(=O)[C@H]1[C@H](c2ccc(-c3nccs3)cc2)C[C@H]2CC[C@H]1N2C 261187064 XUJAZHYZOMZFOS-TWMKSMIVSA-N 342.464 3.549 0 1 EHAF Oc1ccc(C2(c3nc4ccc(Br)nc4[nH]3)CC2)cc1 586895848 BOQHFPKVJZMAGR-UHFFFAOYSA-N 330.185 3.506 0 1 EHAF NC(=O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586898706 LOXIEYPYRCGAND-UHFFFAOYSA-N 329.359 3.701 0 1 EHAF COc1cncc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c12 587026333 BZGNDFLCLVRIAE-UHFFFAOYSA-N 326.381 3.582 0 1 EHAF COC(=O)[C@@H](C)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105579 ACODLHAXDKDBGW-LBPRGKRZSA-N 331.371 3.798 0 1 EHAF CC[C@H](Oc1ccccc1F)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587155575 MJERLOYQZKIVAI-HNNXBMFYSA-N 348.399 3.636 0 1 EHAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cnncc3[nH]2)c1 587196444 VQJTUMREGAFMSG-UHFFFAOYSA-N 339.399 3.700 0 1 EHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)cc(F)c3[nH]1)C2 587247534 UADVSSGMFPVIAJ-GOSISDBHSA-N 345.805 3.707 0 1 EHAF CC(=O)Oc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587402454 CYCQVZYOBZTRRL-SFHVURJKSA-N 339.391 3.826 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCN[C@H]3CCCC[C@@H]31)CC2=O 587488115 YGQAWELXEGDEAX-TWOQFEAHSA-N 329.440 3.601 0 1 EHAF C[C@]1(c2ccc(C(=O)O)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515470 OEQAAYXQCCNFGP-HXUWFJFHSA-N 337.375 3.539 0 1 EHAF Cc1ccncc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588662 UJLYSIXDWWVLBB-NQIIRXRSSA-N 347.370 3.973 0 1 EHAF CCCC[C@]1(COC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595804 OLWWAQPQPRUWOX-FXAWDEMLSA-N 342.391 3.929 0 1 EHAF CC(C)O[C@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587813110 SZUOOBQAKPZBPE-VFVAKGGASA-N 342.252 3.905 0 1 EHAF COc1ccc(OC)c(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c1OC 587925489 BNGCDERFVHMSIG-UHFFFAOYSA-N 341.411 3.948 0 1 EHAF COc1ccc(C[C@H](C)c2nc3cc(Cl)ncc3[nH]2)cc1OC 587927087 RLCIFSIGMZRABD-JTQLQIEISA-N 331.803 3.975 0 1 EHAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(C(=O)OC)ccnc2[nH]1 587952488 RXNFCYSLVZLCCK-DYEKYZERSA-N 331.416 3.791 0 1 EHAF COc1cccc2cc3c(nc12)[C@]1(CCC[C@@H]2[C@@H]1C2(F)F)NCC3 963039203 UBEKBZRUKJDYAL-RPVQJOFSSA-N 330.378 3.650 0 1 EHAF C[C@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 1857634600 AUMJXOXUSGIUCB-OAHLLOKOSA-N 339.366 3.823 0 1 EHAF O[C@@H](CNCC1(c2cccs2)CCCCC1)COc1ccccc1 1857761336 ZGDIAOVQDSSQKS-KRWDZBQOSA-N 345.508 3.980 0 1 EHAF COc1ccc(-c2c3c(O)nc4ccccc4c3nn2C(C)=O)cc1 1911586581 NMAOVFOEOSHXSS-UHFFFAOYSA-N 333.347 3.626 0 1 EHAF CC=Cc1ccc(O[C@@H](C)[C@@H](O)c2ccc(O)c(OC)c2)c(O)c1 2356651571 RXZPLAHSPWAGJM-HXPMCKFVSA-N 330.380 3.640 0 1 EHAF CCCCC[C@@H]1C=C[C@@H]2[C@@H](O)CC(=O)[C@H]2CC=CCCCC(=O)O1 2356675585 BJXHXZDHQUYRMA-DFEOGRTESA-N 334.456 3.731 0 1 EHAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)N[C@H]1CCCC[C@@H]1O 775563 YIIBYBFYCXQKQH-STQMWFEESA-N 348.468 3.734 0 1 EHAF COc1ccccc1CNc1ccnc(-c2ccc(N(C)C)cc2)n1 4258453 ANZQRJDEQQATQH-UHFFFAOYSA-N 334.423 3.830 0 1 EHAF C[C@@H](NC(=O)CCc1ccccc1)c1cc2c(cc1Cl)OCCO2 4656389 DVUZSQXYXFGICU-CYBMUJFWSA-N 345.826 3.921 0 3 EHAF C[C@H]1CCCCN1C(=O)c1nn(C)c2c1CSc1ccccc1-2 6817591 SZJRELQXHWGBKT-LBPRGKRZSA-N 327.453 3.707 0 1 EHAF O=C1[C@H]([C@H](O)c2ccccc2Cl)CCCN1Cc1ccccc1 103284583 NFEWELYMDNXMCD-FUHWJXTLSA-N 329.827 3.812 0 1 EHAF Cn1cc[n+]2c1[C@@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 100726746 SVAPQRALBSDYJD-PMACEKPBSA-N 343.406 3.923 0 1 EHAF Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(S)nc(O)c32)cc1 100644699 VVNCPCPSSPVRCK-CYBMUJFWSA-N 339.420 3.993 0 1 EHAF c1ccc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccncc3)cc2)cc1 100106467 YTKXGOHYQXREHC-NUNAXRQHSA-N 341.458 3.688 0 1 EHAF COc1ccccc1-c1c[nH]c([C@@H](O)c2ccc(Cl)c(F)c2)n1 61928791 HUJZEGIZVXSMHA-INIZCTEOSA-N 332.762 3.960 0 3 EHAF COc1cc(C)c(OC)c2c1C[C@@H](C(=O)O)C[C@H]2c1ccccc1 38541376 HVWXAXKJRJHQDH-GJZGRUSLSA-N 326.392 3.791 0 1 EHAF CN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C2=C1CCCC2=O 32619982 XTTXERWHUNSVEX-AWEZNQCLSA-N 325.195 3.697 0 1 EHAF CCN(C)c1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1 45347997 LZMKHRQQICHBBU-UHFFFAOYSA-N 339.391 3.933 0 1 EHAF O=C(c1ccc(-c2ccccc2)cc1)c1ccn(-c2cnn(O)c2)c1 96282649 NFYILIDLVAQPNZ-UHFFFAOYSA-N 329.359 3.809 0 1 EHAF O=C1c2cc(O)cc(O)c2[C@@H](c2ccccc2)[C@@H]1c1cc(O)cc(O)c1 95592253 UTIKXXXSLZDUAJ-OALUTQOASA-N 348.354 3.621 0 1 EHAF NC(=O)c1cccc(OCCSc2nc3ccccc3s2)c1 96923073 IHIFNEPUXQTNGG-UHFFFAOYSA-N 330.434 3.566 0 1 EHAF C/C(=C\CC/C(=C/CC/C(C)=C/CCC1=CC(=O)OC1)CO)CO 238751091 UVMQCFGEJNWYOG-XBZNVKMASA-N 334.456 3.614 0 1 EHAF CC1(C)C(Br)=C[C@@H](O)[C@]2(C)O[C@@H]3C[C@]12CC[C@]3(C)Cl 238767397 DQGHGRXDZHRTFQ-NKQKNBIVSA-N 349.696 3.991 0 1 EHAF O=C(c1cc2ccc(O)cc2[nH]1)c1ncc(-c2c[nH]c3ccccc23)[nH]1 238750322 ONYVJPZNVCOAFF-UHFFFAOYSA-N 342.358 3.976 0 1 EHAF O=C1Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc2N1 96169283 GMYBSJVXEHYEHS-ICSRJNTNSA-N 346.430 3.516 0 1 EHAF Cc1nc2ccccc2n1Cc1nnc(NC2CCCCC2)s1 653834581 YZRBJYZSDZXSIK-UHFFFAOYSA-N 327.457 3.989 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccnc(SC)n1)CC2=O 587493222 RILMHRZWTUVPHZ-SFHVURJKSA-N 344.436 3.737 0 1 EHAF 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Cc1ccnc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc12 587221246 GFTUNILVBHZKGS-SFHVURJKSA-N 342.402 3.786 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC(C)(C)C2)N1 587836001 YISCWNGDUMQCKJ-QFYYESIMSA-N 342.252 3.907 0 1 EHAF O=C1CCc2cc3nc(/C=C/c4ccc(F)cc4F)[nH]c3cc2N1 587151598 SVPUNXBBGIRFBU-GORDUTHDSA-N 325.318 3.896 0 1 EHAF COC[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795177 QVWFNHRDVNRLPL-YHAQOWFVSA-N 330.241 3.620 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CC[C@@H]1OCc1ccccc1)[C@@H](C2)C3=O 587441274 FXJNPXBETAQFMF-DJPFJPOOSA-N 336.387 3.561 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccnc32)N1 587779653 VGLOTOKFWRYBDC-DYZYQPBXSA-N 347.231 3.707 0 1 EHAF CSC1=NC(=O)N(Cc2ccccc2)CCN1Cc1ccccc1 13652016 IRQISIDZKHELPT-UHFFFAOYSA-N 339.464 3.843 0 1 EHAF O=C(Nc1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1 1857635138 INQFHENPJYSZCC-UHFFFAOYSA-N 342.301 3.690 0 1 EHAF O=C1Nc2cc(C(F)(F)F)ccc2Sc2nc(Cl)ncc21 1548794 JTURLWVYGOCZPN-UHFFFAOYSA-N 331.706 3.866 0 1 EHAF Cc1cccc(NCCNC(=O)Nc2ccccc2Br)c1 14973920 ZHIILYBYAZTTPK-UHFFFAOYSA-N 348.244 3.991 0 1 EHAF O=c1c(NCc2cccs2)nccn1-c1ccc(F)c(Cl)c1 15732414 NHVLUGPCEJSDRR-UHFFFAOYSA-N 335.791 3.699 0 1 EHAF Nc1nc(O)c(N=O)c(NCCCCCCCc2ccccc2)n1 29544447 XIXMLKWLUSODGK-UHFFFAOYSA-N 329.404 3.767 0 1 EHAF CC[C@]1(O)C[C@]2(C)[C@@H](O)CC[C@H]2C2=C1c1ccc(OC)cc1CC2 40892912 JMJOCTAUGDKQKA-QIJZPMMNSA-N 328.452 3.717 0 1 EHAF O=C1N/C(=C\c2ccc(C(=O)O)o2)C(c2ccco2)=C1c1ccccc1 45350156 ZWTUOUITWHUZMO-KAMYIIQDSA-N 347.326 3.653 0 1 EHAF CC[C@H](C)Nc1ncc(C(=O)N2CCCC2)c(-c2ccc(F)cc2)n1 82140305 JUNSYMYMDBGXOL-ZDUSSCGKSA-N 342.418 3.729 0 1 EHAF CCOc1ccccc1-c1nc(O)c2n[nH]c(-c3ccccc3)c2n1 84587490 JYYQTDMLNAQVKP-UHFFFAOYSA-N 332.363 3.791 0 1 EHAF O=C1/C(=C\c2ccco2)N=C(c2ccccc2)N1Cc1ccncc1 84616074 BXUFCCRACXKSNP-QGOAFFKASA-N 329.359 3.505 0 1 EHAF O=C(Cc1c[nH]c2ccccc12)Oc1ccc(CN2CCCC2)cc1 96914953 MGABSVMDBFILDY-UHFFFAOYSA-N 334.419 3.912 0 1 EHAF CC(C)=CCC/C(C)=C/CNCCN[C@@H]1C2C[C@@H]3C[C@@H](C2)CC1(O)C3 101864971 PHCHTNGLBGGCLS-SGUWDRMVSA-N 346.559 3.798 0 1 EHAF CCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2ncnn21 103539263 RAGXLUFXFUOQLM-QGZVFWFLSA-N 338.411 3.984 0 1 EHAF CCOC(=O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 139652824 BYSUZVXYNCYGDT-UHFFFAOYSA-N 340.223 3.706 0 1 EHAF C[Si](C)(C)C[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 195824279 XQJWLQXGVZXEOP-AWEZNQCLSA-N 344.318 3.811 0 1 EHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H]2CCc3ccccc32)n1 221120118 QHICTWWFFVBASB-JKSUJKDBSA-N 338.411 3.557 0 1 EHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccnc(Cl)c2[nH]1 586962355 DKJJBSIGLPBGMA-SECBINFHSA-N 335.820 3.659 0 1 EHAF Oc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587075006 BDDVLGIUBXXTLL-UHFFFAOYSA-N 340.770 3.757 0 1 EHAF CN(C)CCOc1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 587148305 HVHKJXLGYBHWTR-XBXARRHUSA-N 343.377 3.952 0 1 EHAF COc1cc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587376528 SDPGHGZWWJLCKG-HNNXBMFYSA-N 333.771 3.651 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)ncnc1Cl)O2 587380878 XRMJZUOBRDEJNI-HNNXBMFYSA-N 338.194 3.555 0 1 EHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccnc1)[C@@H](C2)C3=O 587435557 HDDDQJIDVZCPQD-AVRDEDQJSA-N 343.382 3.781 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cn(C)nc3c1)CC2=O 587475365 KXAZIHVYMGQCHM-LJQANCHMSA-N 336.391 3.938 0 1 EHAF CC(C)(C)c1noc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587526431 PNVDYXFYFJGRAJ-HNNXBMFYSA-N 326.396 3.952 0 1 EHAF Cc1nc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2n1 587527353 UDEZLDMZASAUQH-GOSISDBHSA-N 333.391 3.623 0 1 EHAF CO[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601203 RLGRDUYCOGPUJC-FUHIMQAGSA-N 340.375 3.682 0 1 EHAF Cc1cccc(C(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)c1 1857649699 XDICNJLKVAZJMN-UHFFFAOYSA-N 331.419 3.735 0 1 EHAF O=C(OCc1cn(-c2cc(Cl)cc(Cl)c2)nn1)c1ccccc1 1857746085 KFHPBCSERUHZEB-UHFFFAOYSA-N 348.189 3.931 0 1 EHAF C[C@H](NC(=O)c1c(-c2ccccc2)noc1[C@@H](C)O)c1ccccc1 2356295702 XDAOOYVOOYYBBI-UONOGXRCSA-N 336.391 3.886 0 1 EHAF COC(=O)C[C@]1(C)CC[C@]2(OC(=O)C[C@@H]3C(C)(C)CCC[C@@]32C)O1 2356529410 GLAMGKFUSHSJAV-RPTUDFQQSA-N 338.444 3.594 0 1 EHAF 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DOCWSHGCOCEKDZ-SNVBAGLBSA-N 333.335 3.870 0 1 EHAF O=C(O)c1cccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)c1 61925552 JPPHSAGMACWHPL-OAHLLOKOSA-N 347.342 3.868 0 3 EHAF CCCOc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12 211010272 UMGJKWSIQVVDGX-UHFFFAOYSA-N 329.396 3.644 0 1 EHAF Cc1cc(C(N)=O)nn1-c1cccc(-c2ccccc2C(F)(F)F)c1 38306948 XLBRDBNYPUOJLV-UHFFFAOYSA-N 345.324 3.965 0 1 EHAF O=c1c2cnc3ccccc3c2[nH]n1-c1ccc(Br)cc1 136554367 FQNCWOLJVICWIR-UHFFFAOYSA-N 340.180 3.630 0 1 EHAF CCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCCCC1 45254341 LRRYERULOJFUIK-UHFFFAOYSA-N 345.487 3.521 0 1 EHAF Oc1ccc(Oc2cccc(Cc3ncc[nH]3)c2)c(Cc2ncc[nH]2)c1 85996403 KDBJPLXCURQBOE-UHFFFAOYSA-N 346.390 3.812 0 1 EHAF endogenous,in-man C=C1C(=O)O[C@H]2C(=O)[C@H](C)CCCC(C)=CCC[C@@]3(C)O[C@@H]3C[C@@H]12 299806628 FGMVUGQMSRSYDL-IUDPQDPDSA-N 332.440 3.747 0 1 EHAF Oc1nc(O)c2ccc(-c3ccc(Cc4ccccc4)s3)nc2n1 587563019 BGFFXCQEKFMTDI-UHFFFAOYSA-N 335.388 3.755 0 1 EHAF Cc1nc(C)c(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)s1 587011044 APQZQCAWQNUQOF-UHFFFAOYSA-N 327.388 3.552 0 1 EHAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)OC)nc2[nH]1 587062269 PXCBCZYNEDZHNH-ZDUSSCGKSA-N 345.786 3.928 0 1 EHAF Cc1cncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587775817 UGZGTPRSPCMAIF-MGPLVRAMSA-N 335.220 3.915 0 1 EHAF COc1cc(Cl)ccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587066047 FPUAWEHABRVHDO-UHFFFAOYSA-N 328.681 3.652 0 1 EHAF Brc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cn1 587781013 OINPNVCWOKSZJL-DAXSKMNVSA-N 344.212 3.950 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOCC2)N1 587833005 DKTAQMJGJKWRQB-MEBBXXQBSA-N 328.225 3.518 0 1 EHAF N[C@H]1CC[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587246018 BBRYDFCSSJNARF-XPUUQOCRSA-N 334.139 3.549 0 1 EHAF Cc1ccc2c([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)c(C)[nH]c2c1 962919617 JYLJFNKOTATVTF-LPHOPBHVSA-N 338.382 3.612 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCc3nc(O)ccc32)N1 962950401 MVCQTQDQRNOFMM-LRTDBIEQSA-N 333.435 3.773 0 1 EHAF CCNC(=O)c1cc2c(N3CCC[C@H]3c3ccccc3)ccnc2[nH]1 1772630094 DIMZYPVLXAPCDZ-KRWDZBQOSA-N 334.423 3.654 0 1 EHAF Cc1nn(Cc2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12 1772582878 SYAPOOZEIOGKQM-UHFFFAOYSA-N 333.347 3.746 0 1 EHAF Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cnc(N(C)C)s2)C1 13594587 KUMJOEIDUBIZBL-CYBMUJFWSA-N 349.525 3.674 0 3 EHAF Cc1ccc(NC(=O)CN2C(=O)CCSc3ccccc32)cc1C 201461820 QCPUORGAATXOPP-UHFFFAOYSA-N 340.448 3.771 0 3 EHAF CC(C)(C)c1ccc(OCCCN2CCN([C@@H]3CCCO3)CC2)cc1 1857630315 KAEQFAZXMAIKRZ-FQEVSTJZSA-N 346.515 3.507 0 1 EHAF C[C@@H]1C[C@@H]2Cc3c(cc(O)c4c3O[C@]3(C)O[C@H](C)C[C@@H]3C4)O[C@]2(C)O1 1857633931 NHJAWBOGTKIVMH-OSRCSSOCSA-N 346.423 3.544 0 1 EHAF CCOC(=O)c1cc(-c2ccn(C(C)=O)c2)c(-c2cc(C)co2)[nH]1 1654365 TUPBVOVSECODQX-UHFFFAOYSA-N 326.352 3.888 0 1 EHAF CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CCCC1 3779688 HTXMQQXQLBZACS-OALUTQOASA-N 340.467 3.841 0 1 EHAF O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CC(Cc2ccccc2)=NO1 12190401 MUKJFJMQGHGIIJ-UXHICEINSA-N 334.419 3.568 0 1 EHAF O=C(c1c[nH]c(-c2ccnc(N3CCCC3)c2)c1)c1ccccc1O 12810101 BOJZBVZSPIWXRE-UHFFFAOYSA-N 333.391 3.614 0 1 EHAF Cc1nc2ccccc2n1C(=O)c1c(F)c(F)c(F)c(F)c1F 13216740 DJOROBASCMRIJL-UHFFFAOYSA-N 326.224 3.729 0 1 EHAF COC(=O)c1coc2c(O)c3c(c(C)c12)C=C[C@]1(C)C(=O)CC[C@@H]31 13746959 FVEOTGJALPLTHO-BUXKBTBVSA-N 326.348 3.713 0 1 EHAF CCNC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21 13758907 MSOQDCOFVHDPJZ-UHFFFAOYSA-N 336.370 3.728 0 1 EHAF COc1cc([C@H](O)[C@@H](C)[C@@H](C)Cc2ccc3c(c2)OCO3)ccc1O 14646632 GSIZVLCQLAZSSP-KQHSUYLTSA-N 344.407 3.678 0 1 EHAF biogenic C=C(C(=O)OC)c1[nH]c2ccccc2c1CCN1CCC=C(CC)C1 14693887 WWMXJSGSUURDQK-UHFFFAOYSA-N 338.451 3.939 0 1 EHAF CC1(C)CCc2c(O)cc(O)c([C@H](CC(=O)O)c3ccccc3)c2O1 14766817 CGBKDRQFLKWOSW-CQSZACIVSA-N 342.391 3.808 0 1 EHAF biogenic COc1ccc(Cl)cc1C(=O)Nc1cccc2c1CCN(C)C2 26741325 MLYGBCPRVZQHPV-UHFFFAOYSA-N 330.815 3.589 0 1 EHAF Cc1c(C(C)C)c(=O)on1C(=O)N1CCC(c2cccc(F)c2)CC1 26936308 IWNUMAPXFIGMJU-UHFFFAOYSA-N 346.402 3.860 0 1 EHAF COc1ccc([C@H]2CC[C@H](OCCCc3cccnc3)O2)cc1OC 29306439 VYULJJQJMNQFPT-YLJYHZDGSA-N 343.423 3.926 0 1 EHAF O=C1OCC(NC2CCCCC2)=C1c1ccc(Br)cc1 66074043 QXFUMPWLGPRUCE-UHFFFAOYSA-N 336.229 3.639 0 1 EHAF CC(C)CCn1c(CN2C(=O)[C@@H](O)c3ccccc32)nc2ccccc21 96904006 VZCXJSODYBRPQC-FQEVSTJZSA-N 349.434 3.663 0 1 EHAF C=C1C=C(C(F)F)n2ncc(C(=O)Nc3cccc(CC)c3)c2N1 102863940 LDRWLVPALRBOFK-UHFFFAOYSA-N 330.338 3.743 0 1 EHAF N=C(N)N/N=c1\cc(-c2ccccc2)sc2ccc(Cl)cc12 169316282 FBBZGXNSIKVAHZ-DEDYPNTBSA-N 328.828 3.520 0 1 EHAF COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2C)ccc1O 238762464 YMJZBBKFFDVLLB-HXPMCKFVSA-N 344.407 3.572 0 1 EHAF O=C(c1ccccc1)N1CCCn2nc(COc3ccccc3)cc21 473152618 UPHRVLGBWYCCHQ-UHFFFAOYSA-N 333.391 3.513 0 1 EHAF CCn1cc(Br)c(Cc2nc3ccc(C)c(C)c3[nH]2)n1 587000821 RPNYAQNIKIOKLQ-UHFFFAOYSA-N 333.233 3.749 0 1 EHAF CC[C@H](Oc1ccccc1Cl)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587061371 FQXSDRNPNCTBIH-QMMMGPOBSA-N 338.198 3.554 0 1 EHAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cnncc3[nH]2)cc1F 587150141 KUSPNJKYGOOIRG-KRWDZBQOSA-N 338.317 3.800 0 1 EHAF CN(C)c1ncccc1-c1nc2c(Br)cc(F)cc2[nH]1 587195056 ALEYIAVFIVAPEF-UHFFFAOYSA-N 335.180 3.593 0 1 EHAF COc1ccc(C)cc1NCCCc1nc2c(Cl)ccnc2[nH]1 587229371 WFOGWZDGUBFKAW-UHFFFAOYSA-N 330.819 3.973 0 1 EHAF CC1(C)CC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 587619603 YIPZJEPOZDUNJN-GJYPPUQNSA-N 340.375 3.680 0 1 EHAF CC[C@@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812159 INZUWHIRBJWGIE-VFZGTOFNSA-N 328.225 3.707 0 1 EHAF Fc1ccc2c(c1)-c1cc(n(-c3nnc(C(F)(F)F)s3)n1)O2 587874366 XJJAGMOPJSVQKF-UHFFFAOYSA-N 328.250 3.654 0 1 EHAF COc1nc2nc(NC3CC3)ncc2cc1Oc1ccc(F)cc1F 653790433 HPGHAQJNYIFAQZ-UHFFFAOYSA-N 344.321 3.678 0 1 EHAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2[C@H](OC)C[C@]2(C)C(=O)CCC[C@H]12 2356381970 HZJBJVDHAZGTAN-YPGUHMFCSA-N 344.451 3.841 0 1 EHAF COc1cccc([C@H]2N(c3cccc(Cl)c3)C(=O)[C@H]3CCCN32)c1 58047133 MUDLSFMNAFNHBU-QZTJIDSGSA-N 342.826 3.858 0 3 EHAF O=C(OCc1cccc(I)c1)c1ccccc1 40972876 IXHTYBUOLXHVNN-UHFFFAOYSA-N 338.144 3.648 0 1 EHAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccco4)[C@H]3C=C12 82051251 YHCAFRYYCQSBSZ-MCMRXXGGSA-N 329.440 3.683 0 1 EHAF C[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CCC2)CC1=O 101191462 JGGKOMOQMSZYOH-POHZVDBMSA-N 339.479 3.676 0 1 EHAF O=c1cc(C(F)F)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12 101404863 XJPRGJBUFZQRDH-UHFFFAOYSA-N 329.228 3.646 0 1 EHAF CN(C)c1ccc(Nc2nc(Cl)nc3cc4c(cc23)OCO4)cc1 103226725 VIRNXBLBYJOYLS-UHFFFAOYSA-N 342.786 3.822 0 1 EHAF CC[C@]1(C(=O)NCCc2csc(Cl)n2)[C@H](C)C1(Cl)Cl 103297028 YNYVLOCZMDJTPN-WRWORJQWSA-N 341.691 3.675 0 1 EHAF OC1=C2C(=NC(=S)N[C@H]2c2cccc(Br)c2)CCC1 103949049 HVOMCHQCVXUBKS-ZDUSSCGKSA-N 337.242 3.815 0 1 EHAF O=c1/c(=C\c2ccc3ccccc3c2)sc2nc3ccccc3n12 137354983 BLQLFTZWOSUFIS-LDADJPATSA-N 328.396 3.610 0 1 EHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(F)cc2)n1 142094228 JQRQRZHDVNMQMO-IUODEOHRSA-N 344.390 3.770 0 1 EHAF COc1cc2cncc(Cc3ccc(OC)c(OC)c3)c2cc1O 147151784 AMLDFCQNEGUMOX-UHFFFAOYSA-N 325.364 3.557 0 1 EHAF CCCCCNC1=N[S@](=O)N=C1Nc1cc(Cl)cc(Cl)c1 253635006 AXVXRWGMHZDDEO-NRFANRHFSA-N 347.271 3.574 0 1 EHAF CC1=C[C@H]2OC(=O)[C@@H](CN3CCSCC3)[C@@H]2CCC(C)=CCC1 253861249 AVMKQDRJSMPYJV-OKZBNKHCSA-N 335.513 3.660 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@H]1Cn1ccnc1)O2 587391125 POWKUNVJIYFACB-YWZLYKJASA-N 339.439 3.758 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CNC(=O)OC(C)(C)C)CC2=O 587471053 QERGFPJLWUDZGX-IBGZPJMESA-N 349.427 3.593 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ncc([C@@H](C)O)s1)CC2=O 587498108 YQHGBTPFHGGIKK-YMTOWFKASA-N 333.409 3.561 0 1 EHAF Brc1ccc2nc(COC/C=C\c3ccccc3)[nH]c2n1 587780429 AHYDKKATAJYHIV-DAXSKMNVSA-N 344.212 3.950 0 1 EHAF COc1ccc(-c2cccc(-c3nc4c(N)ccnc4[nH]3)c2)cc1O 587786151 ITXIFHNNFKLART-UHFFFAOYSA-N 332.363 3.588 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2OC2(C)C)N1 587831667 IQFOAZVBKCYBPD-ZBVHDKTDSA-N 328.225 3.515 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCOC2)N1 587833431 GHZDRKZLPYAYJD-XAGWURHQSA-N 342.252 3.764 0 1 EHAF Cc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856727 XOWNGUOCYSDMPZ-NXSYQRQQSA-N 341.249 3.977 0 1 EHAF O=C(c1ccc(Br)o1)n1nc2cc1Oc1ccc(F)cc1-2 587873328 ZDNMFOXEBPGCOQ-UHFFFAOYSA-N 349.115 3.839 0 1 EHAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 587935774 JESURWLRBAMCQU-ZKANADHPSA-N 336.313 3.826 0 1 EHAF C[C@H](CCc1nc2cc(Br)c(F)cc2[nH]1)CC(=O)O 587962231 BQZLNAOABXWGEP-SSDOTTSWSA-N 329.169 3.508 0 1 EHAF F[C@H]1CN(CC2CCCCC2)C[C@H]1OCc1nc2ccccc2o1 2356299977 RJBMRRLNAIAWGT-MAUKXSAKSA-N 332.419 3.947 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CN(Cc1ccco1)Cc1ccco1 2356870989 XVYMYFVGEPSAIM-SQNIBIBYSA-N 328.456 3.995 0 1 EHAF CC(=O)OCC[C@@H]1c2ccccc2-n2nc(-c3ccccc3)c(O)c21 1645819 XCDDVPRGKBRWIM-MRXNPFEDSA-N 334.375 3.643 0 1 EHAF C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C(F)(F)F)cc1)C(C)(C)C 13806415 GHBYBYNYSXGJCP-ZPGLEITFSA-N 340.345 3.560 0 1 EHAF O=C([C@H]1CS[C@@H](c2cccnc2)N1)n1ccc2c(Cl)cccc21 26162897 HRZRCKXBQCMKEH-ZBFHGGJFSA-N 343.839 3.734 0 1 EHAF CCOC(=O)c1ccc(OC(=O)P(=O)(OCC)OCC)cc1 26649969 HCCIYAQAHHSQLD-UHFFFAOYSA-N 330.273 3.628 0 1 EHAF COc1cc2c(cc1OC)C(C(=O)c1ccc(Cl)cc1)=NCC2 26674006 BPSSBPHRIFANLV-UHFFFAOYSA-N 329.783 3.585 0 1 EHAF COc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cc[nH]c23)cc1 28235575 RMAMEYMEAOCORD-UHFFFAOYSA-N 336.800 3.631 0 1 EHAF Cc1ccc2nc(N3CCOCC3)nc(-c3ccc(N(C)C)cc3)c2c1 28391544 NXPKDXAYNUNEBX-UHFFFAOYSA-N 348.450 3.508 0 1 EHAF CCN(CC)c1ccc2cc([C@@H]3N=C4C=CC=C[C@H]4N3C)c(=O)oc2c1 29051224 ZTKCNFMXIMBKTG-UYAOXDASSA-N 349.434 3.519 0 1 EHAF Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(=O)C(F)F)s1 38230235 JNXVDQMTZWUXRC-UNOMPAQXSA-N 336.285 3.558 0 1 EHAF CO[C@@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 40878408 IZHIOJKJMMKWEY-LJQANCHMSA-N 327.399 3.992 0 1 EHAF OC1([C@H](CN2CCNCC2)c2csc3ccccc23)CCCCC1 49089908 DRAQRLXEPIYYIE-GOSISDBHSA-N 344.524 3.585 0 1 EHAF NC(=O)c1c(F)ccc(OCc2nc(-c3ccccc3)cs2)c1F 49784999 WKEOXTMAMTXNQU-UHFFFAOYSA-N 346.358 3.766 0 1 EHAF O=C(Nc1ccc(C(=O)O)nc1)c1cc2c3c(c1)CCCC3CCC2 96907591 JDZFVFXEVBSKAV-UHFFFAOYSA-N 336.391 3.788 0 1 EHAF CC1=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 238764063 NRFUGXICRLTIFH-RNEXODBNSA-N 336.472 3.922 0 1 EHAF CC1=CN([C@@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@@H]2C)C(=O)[C@@H]2[C@@H](C)CC[C@H]12 257525947 QTRZXLVUEGDULY-RSOSNYOPSA-N 331.456 3.576 0 1 EHAF endogenous,in-man COc1cccc(-n2cnc3cc(NC(=O)c4ccccn4)ccc32)c1 473105279 RKLWANDFYRMREJ-UHFFFAOYSA-N 344.374 3.681 0 1 EHAF Cc1cc2c(O)nc(O)nc2nc1-c1cc(F)cc(C(F)(F)F)c1 587368622 TVIPFTPQWUUFCI-UHFFFAOYSA-N 339.248 3.569 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3nc(Cl)sc3C1)O2 587413575 HLGJJMPJFTWVJR-MRXNPFEDSA-N 334.828 3.580 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3[nH]c(=N)oc3c1)CC2=O 587468213 BXXPFRHEUCSXNB-INIZCTEOSA-N 338.363 3.605 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(CC(=O)O)cc1)CC2=O 587489801 PCVDTBXWZGXQAM-SFHVURJKSA-N 340.375 3.678 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cscn1 587619320 RSJIZYNTVXJQIQ-YOEHRIQHSA-N 325.345 3.552 0 1 EHAF CCOC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccccc1F 587634519 INYOWQNVRGCDMT-UHFFFAOYSA-N 329.302 3.854 0 1 EHAF CC(C)(C(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccccc1 587651721 DCDKUTQOLPZIEC-UHFFFAOYSA-N 326.783 3.668 0 1 EHAF CC(C)O[C@@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587813107 SZUOOBQAKPZBPE-UHNFBRDESA-N 342.252 3.905 0 1 EHAF O=C(CCc1ccccc1)c1nc2cc(F)c(-n3cccn3)cc2[nH]1 587953681 QBWSUOMMELASJV-UHFFFAOYSA-N 334.354 3.703 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCc3nc(O)ccc32)N1 962950398 MVCQTQDQRNOFMM-ASSNKEHSSA-N 333.435 3.773 0 1 EHAF O=C(O)CCc1ccc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)cc1 963099829 AXVQLVKAVIZPSK-UTKZUKDTSA-N 339.410 3.953 0 1 EHAF CCOC(=O)[C@](C)(CC)[C@@]1(C)NCCc2c(OC)ccc(Cl)c21 963256487 CPHFYCAQKHGHIL-ROUUACIJSA-N 339.863 3.689 0 1 EHAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963609223 MWTKCCJKIOQLKG-RBZFPXEDSA-N 327.424 3.726 0 1 EHAF CCC=CCC=CC[C@H](O)[C@@H](O)C=C[C@H]1CC=CCCCC(=O)O1 2356490588 OIBRTSVGCWTYLU-QYZOEREBSA-N 334.456 3.609 0 1 EHAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CN)C=C3C)[nH]c2c1 2356677210 KPVCNCWWBZJPJD-ZMSDIMECSA-N 327.472 3.927 0 1 EHAF COC(=O)CCCCCCCCCC[C@]1(O)OC(=O)C(C)=C1C 2356796355 NDQZTRLESQLCHP-SFHVURJKSA-N 326.433 3.642 0 1 EHAF CC(C)NC(=O)c1ccc2c3n(nc2c1)-c1ccc(Cl)cc1CO3 13657609 KHAMQGKCFWSRSR-UHFFFAOYSA-N 341.798 3.710 0 3 EHAF CCCCC[C@@H]1C[C@H](OC(=O)c2ccc[nH]2)C[C@@H]2C[C@@H](C)OCN21 14513976 SGHXLRHVQDPMOF-NCOADZHNSA-N 334.460 3.720 0 1 EHAF biogenic O=C(/C=C/C=C/CC/C=C\c1ccc2c(c1)OCO2)N1CCCC1 14591324 XWQSYLYFCJTIEL-JWXNOOABSA-N 325.408 3.944 0 1 EHAF endogenous,in-man COc1cc(NCCCCCN[C@@H]2CCCO2)c2ncccc2c1 26486054 RAVZFWVUIHVITF-SFHVURJKSA-N 329.444 3.552 0 1 EHAF CC(C)C[C@@](CCN1[C@@H](C)CCC[C@H]1C)(C(N)=O)c1ccccn1 27521073 JXYNQQWXHSCGTC-FUHIMQAGSA-N 331.504 3.504 0 1 EHAF CO[C@@]1(C)C[C@@H](c2ccccc2)c2c(c3cccc(O)c3oc2=O)O1 27559076 ZYGQQWWTOAMQBQ-VBKZILBWSA-N 338.359 3.776 0 1 EHAF C1=C(c2cccs2)CC[C@H](N2CCN(c3ccccn3)CC2)C1 27712873 CXONTQZSVJEICK-QGZVFWFLSA-N 325.481 3.901 0 1 EHAF in-vivo CCCc1c(OCc2cccc(C(=O)O)c2)ccc(C(C)=O)c1O 27901709 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EHAF COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCC[C@@H](F)C3)c12 224896660 HWFMTSYUBSDCPK-GFCCVEGCSA-N 344.365 3.711 0 1 EHAF CN1CCN(c2cc(/C=C/c3ccccc3)[n+](C)c3ccccc23)CC1 299844572 GUKNPAPHGQVLSO-OUKQBFOZSA-N 344.482 3.587 0 1 EHAF CCN(CC)C(=O)C[C@@H](CO)c1cccc(OCc2ccccc2)c1 473154708 KPIXRFRSISCYIH-IBGZPJMESA-N 341.451 3.600 0 1 EHAF Cc1nc(C2CC2)sc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 587012044 LUXREPQDISXIPP-UHFFFAOYSA-N 342.468 3.813 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1cccs1)O2 587414744 VKDFNNKXBZQQKR-HNNXBMFYSA-N 339.420 3.746 0 1 EHAF Cc1cccc2c1N(C)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518856 RHDHAAWTJBDYAC-QFIPXVFZSA-N 347.414 3.711 0 1 EHAF CC(=O)OCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587534572 WHTJWQGGEYZXBH-IBGZPJMESA-N 340.375 3.928 0 1 EHAF CS[C@H](C)C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609282 UXASCEKJIDPTTP-LYRGGWFBSA-N 330.405 3.864 0 1 EHAF O=C(O)c1cc(F)cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587950812 NRHYIXGVBTVVCH-UHFFFAOYSA-N 344.386 3.886 0 1 EHAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587963721 RBOGCMIMVBXPDL-SFYZADRCSA-N 347.287 3.770 0 1 EHAF CC(C)c1nn(C)c2c1[C@@H](c1cc(F)c(Cl)cc1F)NCC2 962909405 MBHHMAQZPKPPJA-MRXNPFEDSA-N 325.790 3.710 0 1 EHAF C[C@@]1(c2cccc(C(=O)O)c2)c2c(F)cccc2C[C@H]2CCCN21 963103525 LMRUKHXAYHPFHR-OXQOHEQNSA-N 325.383 3.808 0 1 EHAF COc1cc(O)c2c(c1)CC(=O)CCCCC=CC[C@H](C)OC2=O 2356532339 WPFPHTQEYJIBCM-ZDUSSCGKSA-N 332.396 3.578 0 1 EHAF CCOC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3ccccc3c2)C1 61896955 QRNUDXZDNDMNDG-FQEVSTJZSA-N 325.408 3.645 0 3 EHAF Cc1cccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)c1 488074 ZMJIYCDHBBZEQI-OAQYLSRUSA-N 345.402 3.716 0 1 EHAF biogenic COc1cc(CCCC[C@H](O)CCc2ccc(O)cc2)ccc1O 13341099 VSMCASNCIGBMTP-KRWDZBQOSA-N 330.424 3.813 0 1 EHAF COc1cc(-c2cc(=O)c3ccc4occc4c3o2)cc2c1OCO2 14677169 OYCTVEVNYAUZKM-UHFFFAOYSA-N 336.299 3.944 0 1 EHAF biogenic C[C@H](CO)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](N)C[C@@H]1C[C@H]3N 29048698 QOHBXNYJBSDCJL-AWWNEQDRSA-N 348.575 3.538 0 1 EHAF O=C(c1ccccc1Oc1ccccc1)N(C1CCC1)[C@H]1CCNC1 34635249 RVLRGNBXYBRGGM-KRWDZBQOSA-N 336.435 3.836 0 1 EHAF O=c1[nH]c2ccccc2c2cn(-c3ccc(C(F)(F)F)cc3)nc12 40410950 NSWHLSJPNASWLY-UHFFFAOYSA-N 329.281 3.886 0 1 EHAF Cc1cccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc12 49088249 KZQJDBQWDJMPHR-UHFFFAOYSA-N 334.347 3.561 0 1 EHAF CCOc1cc(C)c(Nc2nc(C)nn([C@@H](C)C3CC3)c2=O)cc1C 49111425 GKMSOYQCYNYUEQ-ZDUSSCGKSA-N 342.443 3.677 0 1 EHAF C[C@@H]1CC[C@@H](NS(C)(=O)=O)CCCCCCCCCCC(=O)O1 103215446 SRCSWRHTEYOYIJ-CVEARBPZSA-N 347.521 3.531 0 1 EHAF CCc1cc2c(s1)-[n+]1c(n[nH]c1C)CN=C2c1ccccc1Cl 103544273 VMZUTJCNQWMAGF-UHFFFAOYSA-O 343.863 3.623 0 1 EHAF in-vitro CCOC(=O)c1ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c1 587115625 SISUDCPARBVIFF-UHFFFAOYSA-N 337.301 3.764 0 1 EHAF N[C@@H](N=O)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 587142453 ARZNNHCITLBWIV-ZDUSSCGKSA-N 349.163 3.855 0 1 EHAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587149579 ICSOLIDKQQTKLF-VXJOIVPMSA-N 332.310 3.705 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(CCc3ccc(C)c(N)c3)nc2c1 587250959 UTUPVUDRYHNCEC-UHFFFAOYSA-N 343.814 3.679 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C(=O)OC(C)(C)C)CC1)O2 587398497 DIOVXRWFVADLMY-UHFFFAOYSA-N 345.439 3.813 0 1 EHAF C/C(=C\[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C 587412529 IRRRDDHALIBKKI-YFPIXMDGSA-N 342.464 3.965 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCOc4cc(Cl)ccc41)[C@@H](C2)C3=O 587423599 WFQWKSPTQAITHI-IFXJQAMLSA-N 342.778 3.774 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587426471 OMIUAOASXBGXRQ-DJJJIMSYSA-N 328.339 3.506 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](Cn1cccn1)(C(C)C)CC2=O 587479488 UEJDLTRQWONUDS-IBGZPJMESA-N 328.412 3.601 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(O)ccc3C1)CC2=O 587479762 IZSIGGIHUWRKEA-NRFANRHFSA-N 338.403 3.943 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccn2C)N1 587752125 BSZFEYJCCRGWBC-QFYYESIMSA-N 337.236 3.724 0 1 EHAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587775058 YMGKWYFAKJHIBY-MGPLVRAMSA-N 335.220 3.915 0 1 EHAF COC(=O)C[C@H](C)Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587783651 YBMCPULXCUQWHT-SSDOTTSWSA-N 334.725 3.977 0 1 EHAF COC(C)(C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587796162 SIDUSHJGXOOLFB-PSLIRLAXSA-N 330.241 3.763 0 1 EHAF CC[C@@H]1C[C@]2(CCO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587831156 GZRYURONRPMSJK-IETSOEAISA-N 342.252 3.907 0 1 EHAF O=C(CCc1ccccc1)c1nc2nccc(Br)c2[nH]1 587954049 ZZKJXWZAMCOMBY-UHFFFAOYSA-N 330.185 3.536 0 1 EHAF c1ccc2c(c1)nc(-c1ccc(N3CCOCC3)cc1)c1cccn12 653897401 BWGHMWGOMCFBCW-UHFFFAOYSA-N 329.403 3.991 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1cccc2c1CCC2 963637681 TVOXVTUEZUYKMI-JLCFBVMHSA-N 337.463 3.990 0 1 EHAF C=CC(=O)N(CC(=O)OC(C)(C)C)c1nc(-c2ccccc2)cs1 1857534665 BTZPRUYXUOVOOE-UHFFFAOYSA-N 344.436 3.671 0 1 EHAF CC(C)(C)c1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)c(O)c1 1857650979 FFIDBGXEEPVPSW-UHFFFAOYSA-N 327.380 3.569 0 1 EHAF C[C@H]1C(=O)N(C)c2ccc(CN3CCc4ccccc43)cc2N1C1CC1 1857754603 MGZHNOQQOZCBCK-HNNXBMFYSA-N 347.462 3.583 0 1 EHAF CC[C@](C)(N)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@H](C)[C@@]12C 2356345888 CWFCNWIAOJWEMI-BIXUVVFBSA-N 347.455 3.939 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCCC(=C23)[C@@]12C[C@H](c1ccoc1)OC2=O 2356506199 FEOANYGAJPRFDP-KHZNIVTBSA-N 342.391 3.706 0 1 EHAF CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356562845 GQPPNIVSLNMMHD-OQZLCYPDSA-N 332.484 3.630 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@@H]1[C@@]23C 2356690822 MDGQYVICUGZAQD-DAHTZYRRSA-N 344.407 3.653 0 1 EHAF CC(=O)CCCCCCC[C@H](C[C@@H]1C(=O)O[C@@H](C)[C@@H]1O)C(C)C 2356772720 HDNGESHGKXJWJR-MHORFTMASA-N 326.477 3.891 0 1 EHAF Cc1ccc2c(c1)N(CC(=O)c1cccc(Cl)c1)C(=O)[C@@H](C)O2 1328389 FILUZDUKTHBOIP-GFCCVEGCSA-N 329.783 3.645 0 3 EHAF CCOc1cc2c(cc1O)CC(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 26476210 SOIPLRPHJHQQGL-WOUGYZGKSA-N 344.451 3.577 0 1 EHAF OC[C@H]1CC[C@@H](n2cnc3c(NC4CCCCCCC4)ccnc32)O1 27321860 BCAXASVAFZIQDJ-WBVHZDCISA-N 344.459 3.626 0 1 EHAF O=C1Nc2cc(F)ccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 28883993 OVTWDLFNMYOKHF-UHFFFAOYSA-N 335.334 3.523 0 1 EHAF O=C(NCc1cccc(OCCc2ccccc2)c1)c1ccc(O)cc1 28950965 VZKHCMVEWLIXIC-UHFFFAOYSA-N 347.414 3.944 0 1 EHAF in-vivo CCC(CC)NC(=O)c1cccnc1N1CCC[C@H]1c1ccccn1 39229585 QBOWISKBDAQHNT-SFHVURJKSA-N 338.455 3.737 0 1 EHAF COc1cc(/C=C/c2cc3ccc(OC)cc3oc2=O)cc(OC)c1 49785581 PNIAVRYKIPXEEN-SNAWJCMRSA-N 338.359 3.989 0 1 EHAF CC1=C[C@@]2(O[C@H](COc3ccccc3)C1)C(=O)N(C)c1ccccc12 66123886 CMXOKAIKBGBGQL-UWJYYQICSA-N 335.403 3.673 0 1 EHAF O=C(Cc1ccnc(Cl)c1)c1cc(Oc2cccnc2)ccn1 96178143 FITMTRKPGIAKKH-UHFFFAOYSA-N 325.755 3.743 0 1 EHAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2ccc(OC)cc2)cc1 100113966 IVFMCFXGPZBONB-OEMJWHROSA-N 334.463 3.668 0 1 EHAF CN1C[C@H]2C[C@H]1C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C2 100871468 PCEDEEWEONTUHP-FFZOFVMBSA-N 335.447 3.844 0 1 EHAF CC(C)=CCc1cc(C(=O)CC(=O)c2ccc(O)cc2O)ccc1O 102943535 PSBQRXSCIFYKAX-UHFFFAOYSA-N 340.375 3.768 0 1 EHAF O=C(Cc1ccc(Cl)cc1)Nc1ccc([C@H]2CCCNC2)cc1 117722633 URTXUNHCLJJHAQ-INIZCTEOSA-N 328.843 3.988 0 1 EHAF Cc1nc(NCCCOc2nc(C)c(O)c(C)c2C)c(C)c(C)c1O 143796015 QPVXRIQMUFHIMN-UHFFFAOYSA-N 345.443 3.619 0 1 EHAF CC(=O)N1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@@H]2C1 169333231 ZMXCLMPXNMCQSZ-ZZFKQEHHSA-N 345.446 3.591 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccco3)cc2)C[C@H]2CC[C@H]1N2C 253638281 JHSDPTHVDPIYLW-MTNOOBJLSA-N 325.408 3.686 0 1 EHAF COC(=O)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1OC 586885047 TZDKVWZWLPSVFT-MGAYLXOUSA-N 340.423 3.826 0 1 EHAF Oc1c(Br)ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 586903186 NXCISRFADSDIFC-MFKMUULPSA-N 345.196 3.600 0 1 EHAF Oc1cccc2c1OCC(c1nc3c(Cl)ncc(Cl)c3[nH]1)=C2 586908856 SWPZTWBNJIXDJW-UHFFFAOYSA-N 334.162 3.903 0 1 EHAF C[C@@H]1O[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586916897 IGPCCGANQLPUDK-AJAUBTJJSA-N 337.095 3.684 0 1 EHAF Cc1ccnn1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987049 JPMSTFNSWCNCRA-UHFFFAOYSA-N 341.370 3.705 0 1 EHAF Clc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)OCCO4)O2 587080422 MTMGOLJDUALTEW-MRXNPFEDSA-N 328.755 3.664 0 1 EHAF Fc1cc2nc(C(F)(Br)Br)[nH]c2cc1F 587088182 JYVGPWCQFZPPMX-UHFFFAOYSA-N 343.928 3.711 0 1 EHAF CC(C)OC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108329 ZVFGIZHCZYEKPB-UHFFFAOYSA-N 331.371 3.940 0 1 EHAF Cc1cc2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2c(C)n1 587114633 VYZPQUKZZINHLI-ZDUSSCGKSA-N 334.345 3.836 0 1 EHAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1 587130974 UJBARSTZZWCRGR-UHFFFAOYSA-N 346.333 3.937 0 1 EHAF Fc1cncc(Cl)c1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 587176647 ZDDDLPOXUGBEKD-UHFFFAOYSA-N 330.672 3.755 0 1 EHAF CC(C)(C)OC(=O)N(Cc1nc2cccc(F)c2[nH]1)C[C@@H]1CCCO1 587197040 HFAGOHYCZYCGKQ-LBPRGKRZSA-N 349.406 3.618 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)NCCS4)[C@@H](C2)C3=O 587450618 GTFUTJSZFXSHJB-ORAYPTAESA-N 339.416 3.702 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(N)c1)CC2=O 587472902 OHFNTHVVQXJWIV-HXUWFJFHSA-N 341.407 3.816 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CO)(c1cc(C)ccc1C)CC2=O 587488478 JOALNTCPFIKUBG-NRFANRHFSA-N 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Cc1cccc(-n2ccc(O[C@H](C)COc3ccccc3)cc2=O)c1 1857610858 IPZKMVGBOQBHAX-QGZVFWFLSA-N 335.403 3.992 0 1 EHAF Clc1ccc(Nc2ccc(N3C[C@@H]4C[C@H](C3)N4)cn2)cc1Cl 1857744608 MZBXNOWXAZNDIQ-TXEJJXNPSA-N 335.238 3.683 0 1 EHAF CCC=CCC=CC[C@H](O)C=CC=CC=C[C@@H](O)CCCC(=O)O 2356480408 BISQPGCQOHLHQK-RBUKOAKNSA-N 334.456 3.934 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)Cc3c(C)coc3C[C@]12O 2356658273 MQNZCIQEZXYGJZ-KTGNWYGMSA-N 332.440 3.732 0 1 EHAF Cc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(OC(F)F)c1 15934342 ZJSUFERKVLJWHZ-UHFFFAOYSA-N 336.294 3.969 0 3 EHAF COc1cccc(NC(=O)[C@]2(C)CCN2Cc2ccccc2Cl)c1 61926362 DNOCMIGXXJLYHN-IBGZPJMESA-N 344.842 3.952 0 3 EHAF O=C(O[C@@]12CCCN(C1)/C(=C/c1ccncc1)C2)C1CCCCC1 96018935 KJAPQTVJLRSMOV-ITICKHJUSA-N 326.440 3.784 0 3 EHAF N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)c(F)c2)cc1 36476154 APHCSYAFBQWRCT-UHFFFAOYSA-N 332.382 3.728 0 1 EHAF C/C=C1\C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O 38476923 YIGOKHBZLOAEQX-IRBKXZKHSA-N 329.484 3.543 0 1 EHAF C[C@]1([C@@H]2CO2)C[C@@H]2O[C@]23[C@H](CC[C@H]2[C@](C)(C(=O)O)CCC[C@]23C)C1 40741553 BAVAPCQGJJCZCO-MBZVFBPISA-N 334.456 3.630 0 1 EHAF C=CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cccs1 43061172 YZCSONPXVSZCBC-HNNXBMFYSA-N 343.477 3.926 0 1 EHAF CCN(CC)C(=O)c1cccc(-n2sc3ccccc3c2=O)c1 64700411 QZVBUWOFZBVHHN-UHFFFAOYSA-N 326.421 3.534 0 1 EHAF COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NC(C)=O)n2)cc1 66099451 WTDWVKVUSSEXJD-UHFFFAOYSA-N 349.390 3.786 0 1 EHAF COC(=O)c1c(-c2ccc(C)cc2)ccn(Cc2ccccc2)c1=O 73196688 ZAZRJRGFEISLJD-UHFFFAOYSA-N 333.387 3.659 0 1 EHAF CCN1CCN(c2ncc(C)c(N[C@@H]3C[C@H](C)CC(C)(C)C3)n2)CC1 82202661 BLOOFGSFRFNRPA-DOTOQJQBSA-N 345.535 3.554 0 1 EHAF CCO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccnc1 101502095 WSCWHCGUYUFRNV-GROYHEBESA-N 334.379 3.933 0 1 EHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2F)n1 142091863 IFBKIRLAGGQRMT-IUODEOHRSA-N 344.390 3.770 0 1 EHAF CN1C(=O)N(c2ccc(C#Cc3ccc(F)cc3)cn2)CCC1(C)C 144768584 CDCQRORTJJBNTC-UHFFFAOYSA-N 337.398 3.661 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1CCC2=CC(=O)[C@H]([C@]3(C)CO3)C[C@]2(C)[C@H]1C 257411945 DZJTVWCAYOKKNV-MCWQJZHCSA-N 332.440 3.605 0 1 EHAF Cc1nc(-c2ccc(C(=O)O)cc2)cc([C@H]2CCCN(C(C)C)C2)n1 299850438 GFQBNCDTJFMWIX-KRWDZBQOSA-N 339.439 3.738 0 1 EHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(F)cc2[nH]1 586973049 MNBDUIUEIZARJQ-KRWDZBQOSA-N 343.427 3.813 0 1 EHAF Oc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586996436 UUGKJJQISWFCBB-UHFFFAOYSA-N 332.201 3.686 0 1 EHAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)s1 587015134 YDBPPGDIZZORKG-QMMMGPOBSA-N 349.387 3.930 0 1 EHAF O=C1CCc2cc3[nH]c(-c4ccc(Cl)c(Cl)n4)nc3cc2N1 587085143 YZXAVZLWNQVPNN-UHFFFAOYSA-N 333.178 3.816 0 1 EHAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587149576 ICSOLIDKQQTKLF-AYVTZFPOSA-N 332.310 3.705 0 1 EHAF Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2n1 587166821 ANPFLCOPZMMDCY-OAHLLOKOSA-N 339.374 3.774 0 1 EHAF CCOC(=O)CCc1c(-c2ccccn2)nc2cccc3c2c1CC3 587213522 WZUORGKBPBOKOC-UHFFFAOYSA-N 332.403 3.891 0 1 EHAF O=C(/C=C\c1nc2ccc(Br)cc2[nH]1)Nc1ccccc1 587244623 QFXJOKCUTRWQPF-HJWRWDBZSA-N 342.196 3.977 0 1 EHAF COCC[C@@]1(Cc2cccc(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587386565 ZUDRYAGWUFXYDO-HXUWFJFHSA-N 343.398 3.700 0 1 EHAF CC[C@]1(c2cc(F)c(O)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423465 KCGPROHSCWRKKX-CWTRNNRKSA-N 346.329 3.732 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1c1ccccn1)[C@@H](C2)C3=O 587435161 DHSPRARAHGJISI-VWKPWSFCSA-N 335.403 3.934 0 1 EHAF Nc1ncc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501037 QQKQTONKRJBFIR-INIZCTEOSA-N 328.799 3.903 0 1 EHAF C[C@@H](O)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587529206 LJEVZOJLNSQIKR-IVZQSRNASA-N 336.431 3.893 0 1 EHAF CC[C@]1(CSC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605392 CJRAAWWQFBDABZ-MAUKXSAKSA-N 330.405 3.866 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nccs1 587617764 KVMLENQHBICIQH-CZUORRHYSA-N 325.345 3.552 0 1 EHAF COc1cc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2cc1Cl 587785075 KZXCFKGDRLRIGN-UHFFFAOYSA-N 334.759 3.615 0 1 EHAF CC(=O)C(C)(C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587809663 IYFQLLQQTBEKBY-ABKXIKBNSA-N 342.252 3.953 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](CO)C2)N1 587827032 MVTKPGFHNQTWIC-GDLVEWKHSA-N 342.252 3.500 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccccn1 587872177 JRJSAPTUAUFZRV-UHFFFAOYSA-N 342.399 3.728 0 1 EHAF COc1ccc(OC)c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587873089 BXOCQVCQUJNCBM-UHFFFAOYSA-N 340.310 3.501 0 1 EHAF COc1ccc(C[C@H](C)c2nc3c(C)nc(C)cc3[nH]2)cc1OC 587925138 BETJOLFSDGMGMB-NSHDSACASA-N 325.412 3.938 0 1 EHAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587932226 WDKXTWRJKQAXCV-XCLFUZPHSA-N 336.391 3.788 0 1 EHAF CCCC/C=C\c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 587965227 IIAHTJHPZOSHJB-KTKRTIGZSA-N 335.473 3.797 0 1 EHAF CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 653823896 ZGNROOOFYPKLJH-JYJNAYRXSA-N 330.405 3.532 0 1 EHAF COc1c(C)cc([C@@H]2NCCc3c2c(C(C)C)nn3C)c(C)c1C 962917624 GBUIMVMCVGBVMC-IBGZPJMESA-N 327.472 3.712 0 1 EHAF CCC[C@]1(CCCCC(=O)OCC)NCCc2nc3ccccn3c21 962989780 AMNMVGNTMHUCSZ-HXUWFJFHSA-N 343.471 3.599 0 1 EHAF Cc1ccnc2c1CCN[C@@]21CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 963071052 IYHZIDXSZUALRC-MQSCRBSSSA-N 347.506 3.806 0 1 EHAF COc1cc2nccc([C@@H](O)c3ccc4c(ccn4C)c3)c2cc1OC 1772608677 VBXXUTOOXGEABI-NRFANRHFSA-N 348.402 3.825 0 1 EHAF CC(C)[C@H](N)CN(CCc1ccccc1)C(=O)/C=C/c1ccccc1 1857538214 WXXANXSXYNFLIT-QZMUEMGWSA-N 336.479 3.754 0 1 EHAF COc1ccccc1[C@@H](O)c1cc(O)cc(-c2c(C)noc2C)c1 1857638053 CYLYSMPUMNAUQD-IBGZPJMESA-N 325.364 3.754 0 1 EHAF COC(=O)Cc1nc(Nc2ccccc2F)c2c(C)c(C)sc2n1 2910816 YLLYKGSGNLVCAD-UHFFFAOYSA-N 345.399 3.906 0 1 EHAF Oc1noc(C2CCNCC2)c1Cc1ccc2ccccc2c1F 13607809 HCQSUEXPRMCNOT-UHFFFAOYSA-N 326.371 3.730 0 1 EHAF COc1ccc(-c2ccccc2[C@@H]2N[C@@H](C(=O)O)CC[C@@H]2C)cc1 13782971 OUYDJLDGKVKXPM-MJXNMMHHSA-N 325.408 3.876 0 1 EHAF COc1cc2ccc(C)nc2c2c1-c1cc(C)ccc1S(=O)(=O)N2 13818007 UXHUBTDSTIIYHF-UHFFFAOYSA-N 340.404 3.641 0 1 EHAF COC(=O)[C@H](c1ccc2c(c1)OCO2)c1cc(C)nc2ccccc12 26818238 GTTDDHFXENWZAW-LJQANCHMSA-N 335.359 3.577 0 1 EHAF CC(C)(C)OC(=O)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 27746140 DXHXSTHXLFTIBE-OAHLLOKOSA-N 344.407 3.950 0 1 EHAF CCCc1cc([C@@H](C)O)ccc1OCc1ccc(C(=O)O)cc1OC 27883712 UBUITBRSSLVPFC-CYBMUJFWSA-N 344.407 3.978 0 1 EHAF N=C(N)c1ccc2cc(CCc3cc4ccc(C(=N)N)cc4o3)oc2c1 28870081 BEVQVDAJGKSLEO-UHFFFAOYSA-N 346.390 3.532 0 1 EHAF Cc1ccc(C2=C(CC(=O)O)[C@@H](c3cccs3)NC(S)=N2)cc1 29413325 NEMNPPKPFHGNCG-INIZCTEOSA-N 344.461 3.873 0 1 EHAF Nc1cc(F)ccc1Nc1ccc2c(c1)OCc1ncccc1C2=O 40898258 QYAORHUOTQKBRG-UHFFFAOYSA-N 335.338 3.670 0 1 EHAF CC(C)(C)c1cc(C(=O)Nc2ccncc2)n(Cc2ccccc2)n1 73161410 NQVQYUVRKFKCJV-UHFFFAOYSA-N 334.423 3.876 0 1 EHAF COc1cc(Cl)ccc1O[C@H](c1cccc(C)c1)[C@H]1CNCCO1 87723756 NUGRPPXOWJFLKG-RTBURBONSA-N 347.842 3.766 0 1 EHAF in-vitro Nc1nc2cc3c(cc2s1)CCN(Cc1ccc(F)cc1)CC3 95580866 MKDLXJCYMYXNFZ-UHFFFAOYSA-N 327.428 3.618 0 1 EHAF O=C(Cc1ccc(F)c(F)c1)c1cc(Oc2cccnc2)ccn1 96178131 POPJZRPRTQGITJ-UHFFFAOYSA-N 326.302 3.973 0 1 EHAF COc1cc(O)c2c(=O)c(-c3ccc(Br)cc3)c[nH]c2c1 103229480 SGHUXLUSBOMDDZ-UHFFFAOYSA-N 346.180 3.672 0 1 EHAF COCCO/C(O)=C1\C(C)=NC(S)=N[C@H]1c1ccccc1Cl 103911253 INYYUDLEDXZDHC-REQDGWNSSA-N 340.832 3.574 0 1 EHAF Cc1cc(-c2[nH]c(=O)c3cc(F)ccc3c2OCCN)ccc1Cl 149321550 KYPCNLJQBLPDKY-UHFFFAOYSA-N 346.789 3.634 0 1 EHAF c1ccc(CN2CC[C@@H]3C[C@H]2c2c3cccc2N2CCOCC2)cc1 195433843 IXLJECFNTNRRME-NQIIRXRSSA-N 334.463 3.958 0 1 EHAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2CCC[C@@](C)(O)[C@]21C 238760156 CPGDJQWAOHOBFE-WNISUXOKSA-N 346.423 3.892 0 1 EHAF Cc1cnc(CCC(=O)N[C@H]2CC[C@H](c3ccc(O)cc3)CC2)s1 253656805 YRDBOFSDLLYYQB-KOMQPUFPSA-N 344.480 3.932 0 1 EHAF O=C1N[C@H](c2ccccc2OCc2ccccc2)Nc2ncccc21 473089366 LFZMXIWHCDUPBS-LJQANCHMSA-N 331.375 3.515 0 1 EHAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1O 587376805 UBVUJTKHCKLDBJ-AWEZNQCLSA-N 333.771 3.651 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC[C@H](C1)N3C1CCCC1)O2 587398819 IGDXFNPUQHLMLX-GWTOYCKXSA-N 340.467 3.851 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(C)(C)O)cc1)O2 587404470 QRRRAJSYMZNCMZ-HXUWFJFHSA-N 325.408 3.685 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cnn(C)c4)cc1)[C@@H](C2)C3=O 587432141 NTUVIDKZSZZOJX-LAUBAEHRSA-N 346.386 3.584 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(O)ccc31)CC2=O 587481094 ACBPFXCFIBYGDE-HXUWFJFHSA-N 340.375 3.694 0 1 EHAF O=C1C[C@@]2(CCOC3(CCOCC3)C2)Oc2c1ccc1c2CCCC1 587530041 AQQQOFCSMBGBQZ-OAQYLSRUSA-N 342.435 3.629 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)o2)N1 587826196 DENJSTRTYWUTLQ-AYVTZFPOSA-N 338.176 3.617 0 1 EHAF CC[C@H]1C(=O)C[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C 685935507 RFTIRMPAYWBDKJ-JTUMJHKWSA-N 334.500 3.566 0 1 EHAF biogenic,in-vitro Cc1ccnc2c1CCN[C@H]2c1cccc(NC(=O)OC(C)(C)C)c1 963067922 AWAOVDBKAYACOJ-KRWDZBQOSA-N 339.439 3.972 0 1 EHAF CN(C)[C@H]1CC[C@H](Nc2ncnc3[nH]cc(C4CCCC4)c23)CC1 1772581316 ZWZJNPPOVTYRFZ-SHTZXODSSA-N 327.476 3.900 0 1 EHAF CCOc1cccc2cc(-c3ccc(OC)cc3OC)c(=O)oc12 1857607049 CONGKYOGCOJOMB-UHFFFAOYSA-N 326.348 3.876 0 1 EHAF O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1ccccc1 1911584588 HKESLRFLDZALOB-KRWDZBQOSA-N 335.382 3.819 0 1 EHAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]56CCC[C@H]5C=CC[C@@](C4)([C@]12O)[C@@]36C 2356320202 MKRCCEVCJZWCEH-ONVRUIGWSA-N 342.479 3.504 0 1 EHAF CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1F 530962 WIHYEQCGJAACCR-UZUQRXQVSA-N 337.331 3.523 0 3 EHAF C[C@@]1(c2nnc(-c3ccncc3)o2)CC(c2cccc(Cl)c2)=NO1 12726929 MVEVHNUWMZOBRK-KRWDZBQOSA-N 340.770 3.825 0 3 EHAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NC[C@H](O)CC 4212274 FIFMXACLTWHOMK-NEWSRXKRSA-N 346.471 3.588 0 1 EHAF CCc1cc2c(C(=O)Nc3c(F)cccc3F)cnc(OC)c2o1 13437954 UWLDHAFCBFXQMX-UHFFFAOYSA-N 332.306 3.929 0 1 EHAF COC(=O)CCCN(C)CCOc1ccc(Cc2ccccc2)cc1 13475292 QDTNBSZEDPOPNU-UHFFFAOYSA-N 341.451 3.541 0 1 EHAF CCCC(=O)NC[C@@H]1CCc2c(OC)ccc3ccc(OC)c1c23 13834422 HOEZKPLGFMCEPO-AWEZNQCLSA-N 327.424 3.803 0 1 EHAF Cc1cc(N2CCCCC2)n2nc(SCc3ccccc3)nc2n1 27427434 UOCNWVDWRRUXRN-UHFFFAOYSA-N 339.468 3.715 0 1 EHAF O=C(O)CCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1 29223554 KLKYDWSHJQBDSU-UHFFFAOYSA-N 349.386 3.623 0 1 EHAF C[C@@H](CCO)CC[C@@H]1C(C(=O)O)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C 32296348 XEDCLIOKVSOTJJ-RZRATATOSA-N 338.488 3.619 0 1 EHAF CCCCC[C@H](O)c1cn(C[C@@H]2Cc3c(C)ccc(C)c3O2)nn1 45323167 WGMGJDRLMIAGDE-YJBOKZPZSA-N 329.444 3.512 0 1 EHAF NC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49785364 UTSSQUFMGVEPGN-NSHDSACASA-N 329.227 3.852 0 1 EHAF O=C(O)CCNCCCc1ccc(OCCCc2ccccc2)cc1 59615176 GODMMQSXHQPNBA-UHFFFAOYSA-N 341.451 3.695 0 1 EHAF COCCCNc1ncc(-c2ncc(C)o2)c(-c2cccc(C)c2)n1 82167426 LUVUQJGLYHCUSN-UHFFFAOYSA-N 338.411 3.864 0 1 EHAF NC(=O)c1cccc2c(NCc3ccc(Cl)c(Cl)c3)ncnc12 114344946 XMZNZUXMEXIQDA-UHFFFAOYSA-N 347.205 3.648 0 1 EHAF O=C(c1ncco1)[C@H]1COc2cc(OCc3ccccc3)ccc2C1 169336433 GQLUGSLKMKLIDM-MRXNPFEDSA-N 335.359 3.688 0 1 EHAF O=C1O[C@@H](c2cccc(Cl)c2)CN1c1ccc2c(c1)CCNCC2 169347318 HVMSYLRLICDYHH-GOSISDBHSA-N 342.826 3.726 0 1 EHAF Cc1cc2nc(CCc3nc4c(C)ncc(C)n4n3)ccc2cc1F 207591105 IDJOPFLFODQPJY-UHFFFAOYSA-N 335.386 3.522 0 1 EHAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 586886348 FKIVRYGNBMVCHN-HWPZZCPQSA-N 328.343 3.546 0 1 EHAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Cl)cc(C)c2[nH]1 586922456 NMDAWWVKNYYSNW-UHFFFAOYSA-N 334.828 3.985 0 1 EHAF Clc1ncc2nc(-c3coc(-c4ccccc4Cl)n3)nc-2[nH]1 587063562 WPKFQEUGNQKDRV-UHFFFAOYSA-N 332.150 3.933 0 1 EHAF Fc1ccc(-c2nc3c(F)c(F)ccc3[nH]2)nc1Br 587156129 VRXZXEQMPBRFBW-UHFFFAOYSA-N 328.091 3.805 0 1 EHAF Nc1ncccc1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587254645 VXMAGBRWMNPPKY-UHFFFAOYSA-N 326.709 3.803 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C)ccc1OC(F)F)O2 587383309 SAXSTODYZKNPBY-AWEZNQCLSA-N 334.322 3.589 0 1 EHAF O=C1C[C@@H](c2ccc(-n3ccnc3)nc2)Oc2c1ccc1c2CCCC1 587516812 WUMBVQNGMIBLQV-IBGZPJMESA-N 345.402 3.853 0 1 EHAF CO[C@H](c1cncs1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536773 ZZAAOZZCPBVNOB-QAPCUYQASA-N 329.421 3.743 0 1 EHAF C=Cn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587759373 KOTVPWGQMWOICK-VFZGTOFNSA-N 336.208 3.509 0 1 EHAF CC[C@@H]1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587819452 IACJUAGHPWINPZ-XIZWVBILSA-N 340.236 3.707 0 1 EHAF Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587852669 MRQDSXZIILBVOK-NXSYQRQQSA-N 341.249 3.977 0 1 EHAF COc1ccc(OC)c(-c2nc3cnc4ccccc4c3[nH]2)c1OC 587928255 ZWANGACNXYNYTG-UHFFFAOYSA-N 335.363 3.804 0 1 EHAF CN(C)CCCCN(CCCN(C)C)Cc1cccc2ccccc12 1857612560 DEGLUFYHNVZLPU-UHFFFAOYSA-N 341.543 3.935 0 1 EHAF C[C@]12C[C@@H]3OC(=O)C4=CCC[C@H]([C@@]15C[C@H](c1ccoc1)O[C@@H]5O2)[C@]43C 2356603987 NDMIZXWDLDQQRN-CUWQQFRDSA-N 342.391 3.514 0 1 EHAF Cn1cccc1[C@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl 3182036 YFZLEIOJJYDKRI-LBPRGKRZSA-N 331.630 3.866 0 3 EHAF CCN1CCC[C@H]1CNC(=O)c1cc2c(C)nc3ccccc3c2o1 4057414 RTKLGPKHHCHQMK-AWEZNQCLSA-N 337.423 3.504 0 3 EHAF Cc1c(C)n(C)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc12 6912204 DENYKYRWSOKMOF-UHFFFAOYSA-N 347.462 3.758 0 3 EHAF COC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)c(=O)n2c1CCC2 203461281 VZPVQCCBIGGICY-UHFFFAOYSA-N 338.190 3.555 0 3 EHAF O=C(O[C@@H]1CN2CCC1CC2)C(F)(c1ccccc1)c1ccccc1 2017821 JYTMGTTUIXPUMR-LJQANCHMSA-N 339.410 3.537 0 1 EHAF C[C@H]1CN2[C@@H](CC[C@@H](C)[C@@H]2c2ccc(Br)cc2)C(=O)O1 13782962 UVNCKUCDEJMPKS-FDRIWYBQSA-N 338.245 3.536 0 1 EHAF Ic1ccc(-n2nncc2-c2ccccc2)cc1 26173398 YVCVWNNBVKSMPY-UHFFFAOYSA-N 347.159 3.539 0 1 EHAF COc1c(-c2ccccc2Cl)oc2c(CC(=O)O)cccc2c1=O 27197853 RDYVLCIXYGFBDY-UHFFFAOYSA-N 344.750 3.749 0 1 EHAF O=C(O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(C(=O)O)cc34)c2c1 28710095 WMOTXJFYJGHGHF-UHFFFAOYSA-N 334.331 3.636 0 1 EHAF CCCc1c(C/C=C(\C)C/C=C/C(C)(C)O)[nH]c(=O)c(C)c1OC 29131182 YJSWZKPLAKZGBU-HVUCGZAQSA-N 333.472 3.850 0 1 EHAF COC(=O)[C@@H](C)Oc1ccc(Oc2cnc3ccc(F)cc3n2)cc1 29464197 RCKCEGSEVYXEBD-LLVKDONJSA-N 342.326 3.502 0 1 EHAF O=C(CN1CCCCC1)Nc1ccccc1-c1nc2ccccc2[nH]1 31848125 HOWDJDLYBQBMFD-UHFFFAOYSA-N 334.423 3.654 0 1 EHAF CC(C)CN(C(=O)c1cccc(C(F)(F)F)c1Cl)[C@H]1CCNC1 48995271 CCXVQWDBHGEOJC-NSHDSACASA-N 348.796 3.819 0 1 EHAF in-vitro CC(C)(C)c1cc(Cl)ccc1OC1CN(C(=O)c2ccccn2)C1 59257338 MTTONBREWKOVPJ-UHFFFAOYSA-N 344.842 3.936 0 1 EHAF CCN1CCN(c2nc3c(c4ccccc24)Cc2ccccc2-3)CC1 66066306 GHDJFFNCNRNVGD-UHFFFAOYSA-N 329.447 3.948 0 1 EHAF CCOC(=O)c1c(C)nc(N2CCCCC2)nc1-c1ccccc1 71294208 XUESUIXOIKBCKB-UHFFFAOYSA-N 325.412 3.619 0 1 EHAF O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cc(Cl)ccc1O 84632538 PFBACGGMZNTXLN-UHFFFAOYSA-N 349.774 3.956 0 1 EHAF COc1cc(OC)c2nnc3c(C)nc(-c4ccccc4C)n3c2c1 84691022 MIATWQLLYKUWRD-UHFFFAOYSA-N 334.379 3.579 0 1 EHAF COc1ccc(C(=O)N2CCC[C@@H]3c4ccccc4CC[C@@H]32)cc1N 96169275 ISRHRYXQUNLBGD-MJGOQNOKSA-N 336.435 3.612 0 1 EHAF CCN(c1ccc(OC)cc1)c1nc(N)nc2[nH]c3ccccc3c12 96271135 NOOJSKFTZMLHMC-UHFFFAOYSA-N 333.395 3.860 0 1 EHAF CCC(=O)C(CCCCCOc1ccc2c(c1)OCO2)C(=O)CC 138194198 MGZGITSQAOWPQX-UHFFFAOYSA-N 334.412 3.929 0 1 EHAF C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 139020953 OFWWSHNAQHDEIN-JSBVTNFNSA-N 334.500 3.566 0 1 EHAF CC(C)[C@@H](CO)NCc1nc(-c2ccc(Cl)s2)ccc1F 216166882 QWUYUEUGOHJHFV-CYBMUJFWSA-N 328.840 3.709 0 1 EHAF O=C1c2cc(Cl)ccc2O[C@@H]2c3[nH]c4ccc(O)cc4c3CCN12 220263577 FQALEHDYQBLDSM-GOSISDBHSA-N 340.766 3.616 0 1 EHAF C[C@]12C[C@@H](C(=O)O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 299853723 OUOPIDHLKVJXSK-CAONHWGOSA-N 348.483 3.660 0 1 EHAF CC[C@H]1OCCC[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 586911463 KXRXJOQGPNKSEM-VXNVDRBHSA-N 328.185 3.532 0 1 EHAF CSCC(C)(C)c1nc2cccc(I)c2[nH]1 586968324 CDLAQMVEXNVEJU-UHFFFAOYSA-N 346.237 3.808 0 1 EHAF Cc1cc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2c(C)n1 586983851 JYDHDNGVVGGQDZ-ZDUSSCGKSA-N 345.244 3.580 0 1 EHAF OCc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587085115 LARJYPSWPKWLHM-UHFFFAOYSA-N 336.782 3.833 0 1 EHAF CS(=O)(=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587088294 WJGBSEVFZSYKNZ-UHFFFAOYSA-N 345.811 3.768 0 1 EHAF Fc1ccc(-c2cnn(Cc3nc4ccc(Cl)nc4[nH]3)c2)cc1 587165022 IVNZWVSXJZCRBA-UHFFFAOYSA-N 327.750 3.662 0 1 EHAF Cc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2n1 587168870 PYBUJPQEPUXDFH-UHFFFAOYSA-N 334.358 3.531 0 1 EHAF O=C(/C=C/c1nc2cc(Cl)c(Cl)nc2[nH]1)Nc1ccccc1 587244640 QJOFXEAPAHAKEI-VOTSOKGWSA-N 333.178 3.917 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(O)c1)O2 587377228 LVKVEQRNZBAAPD-OAHLLOKOSA-N 348.196 3.752 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(C)n1-c1cccnc1)[C@@H](C2)C3=O 587432854 ZIVFZEHESCSAAO-KKSFZXQISA-N 346.386 3.678 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(C)cc(OC)cc1OC)[C@@H](C2)C3=O 587444755 UILGQVIKXIQQPF-VBKZILBWSA-N 340.375 3.510 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1cc[nH]c12 587592952 ZPOXMFNHEOXHSH-LAUBAEHRSA-N 347.370 3.914 0 1 EHAF CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 653823898 ZGNROOOFYPKLJH-PMPSAXMXSA-N 330.405 3.532 0 1 EHAF COc1cccc2cc3c(nc12)[C@@](C)(C1CCSCC1)NCC3 963060207 RNCBGPPQRLZCDA-LJQANCHMSA-N 328.481 3.748 0 1 EHAF CC[C@]1(c2ccc(Br)cc2)NCCc2ccc(O)cc21 963341083 JUTIJRQFZOTUPC-QGZVFWFLSA-N 332.241 3.954 0 1 EHAF Cc1ccc(NC(=O)Nn2c(C)nc3sccc3c2=O)cc1Cl 1857762660 NIFNFTFTGVBZLZ-UHFFFAOYSA-N 348.815 3.504 0 1 EHAF CCCCCC=CC[C@H](O)[C@H](O)C=C[C@@H]1CC=CCCCC(=O)O1 2356504981 MDCUPALPRUQMSF-GBESFXJTSA-N 336.472 3.833 0 1 EHAF CC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](O)[C@]2(C)O 2356532340 JWWWAEIMVGEDRK-NGIBWZRKSA-N 338.488 3.762 0 1 EHAF O=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc2c(c1)NCCC2 13673994 XGMNIMNOWWRWSJ-UHFFFAOYSA-N 347.777 3.799 0 1 EHAF C[C@H](Nc1ncnc2c1nnn2CCc1ccccc1)c1ccccc1 13778546 YLQWAGBPVCTMNJ-HNNXBMFYSA-N 344.422 3.637 0 1 EHAF Cc1ccc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)cn1 26509228 RKKQRMRDSANAMZ-UHFFFAOYSA-N 338.338 3.544 0 1 EHAF O=C(CN1CCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 40917378 ACCBGEGWPDNJJT-UHFFFAOYSA-N 345.512 3.645 0 1 EHAF CCCNC(=O)c1nnc2c(-c3cc(C)cc(C)c3)cccc2c1N 71295453 IACRYXFWKJOMEI-UHFFFAOYSA-N 334.423 3.636 0 1 EHAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3)CC2)o1 103291294 JYTPCFRGUIPOJD-UHFFFAOYSA-N 347.418 3.612 0 1 EHAF CC(C)[C@](O)(c1ccc2cc(-c3cnco3)ccc2c1)c1c[nH]nn1 139871687 FPFLLZAGPFEDBQ-IBGZPJMESA-N 334.379 3.505 0 1 EHAF CCCOC(=O)[C@H]1C(C)=NC(c2ccccc2)=C(C(=O)OCC)[C@@H]1C 169715641 QWIYMTSDMCWKDA-CZUORRHYSA-N 343.423 3.641 0 1 EHAF CCCN1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H](c1ccc(SC)cc1)C2 253676178 AOCFDQDGDIOFRW-RANZSIQMSA-N 333.497 3.928 0 1 EHAF COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCCCCCC(=O)C2 299822095 OWHJIFBGXNKCCV-ZDUSSCGKSA-N 334.412 3.802 0 1 EHAF Oc1cccc2c1OCC(c1nc3c(F)c(F)c(F)c(F)c3[nH]1)=C2 586907713 IYZFTUPGDIHGOM-UHFFFAOYSA-N 336.244 3.758 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c[nH]nc1CC3 586990080 UWLRXZARMHHMRX-UHFFFAOYSA-N 339.354 3.641 0 1 EHAF Clc1ccnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 587039147 CNKOOKUPIDYEDZ-QWHCGFSZSA-N 330.844 3.558 0 1 EHAF Cc1ccc(Cc2nc3c(Cl)ncnc3[nH]2)cc1C(F)(F)F 587095074 PANZVMLKRSZGES-UHFFFAOYSA-N 326.709 3.924 0 1 EHAF C[C@@H](Oc1ccc(F)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587169465 WYALJIPMIOVMLT-SSDOTTSWSA-N 326.253 3.602 0 1 EHAF COC(=O)c1cc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2cn1 587172174 YJQKFTUVVPUZFE-JTQLQIEISA-N 345.399 3.779 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)cc(C)cc1O)CC2=O 587489019 MDFDSPOXDPQZTN-QGZVFWFLSA-N 328.364 3.771 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc(C)nc1C)CC2=O 587491501 UCMBQSWLQAWDHA-IBGZPJMESA-N 326.396 3.632 0 1 EHAF COC(=O)c1coc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532634 MIMHQWQZKIULMR-FQEVSTJZSA-N 340.375 3.826 0 1 EHAF CCOCC(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587859519 XVSXXZYRPNHICW-UHFFFAOYSA-N 343.210 3.932 0 1 EHAF O=C(CCn1cc(Cl)cn1)n1nc2cc1Oc1ccc(F)cc1-2 587873542 DHAGMSUBDWFZLK-UHFFFAOYSA-N 332.722 3.375 0 1 EHAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 587961428 FWDDPRVGBXVPEQ-HTQZYQBOSA-N 325.181 3.622 0 1 EHAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H]([C@@H]2C[C@H]2c2ccccc2)N1 963222392 KNIUKJDLBARZQX-AXNOTKAXSA-N 344.414 3.679 0 1 EHAF O=C(Nc1ccccc1Br)c1coc2ccccc2c1=O 1857619355 OPCVOLGXBWUHEH-UHFFFAOYSA-N 344.164 3.808 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCCC(=C23)[C@]12C[C@@H](c1ccco1)OC2=O 2356476439 IQEKRSIWCDUGJG-GPHYKJPNSA-N 342.391 3.706 0 1 EHAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](CC[C@@H](C)C(=O)CC1)[C@H](C)C(=O)O2 2356793291 HDOYVDPCFMGFJE-ZBCLNLFISA-N 336.472 3.811 0 1 EHAF CCCCC[C@H](O)C(C)(C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 2356811421 BOLGBOZCCGUULF-IRXDYDNUSA-N 347.455 3.544 0 1 EHAF Cc1cccc2c1-c1sc(C(=O)NC[C@@H]3CCCO3)cc1CO2 5048312 BKTXGKNISUSYCS-ZDUSSCGKSA-N 329.421 3.525 0 1 EHAF CC(C)(O)[C@@H]1Cc2c(ccc3c2O[C@H](c2ccc(O)cc2)CC3)O1 13379897 RXOBZEGNJOADLO-WMZOPIPTSA-N 326.392 3.533 0 1 EHAF biogenic,in-vitro Clc1ccccc1COC[C@H](c1ccccc1)N1CCNCC1 22926725 IIULAYXWOUPTCC-LJQANCHMSA-N 330.859 3.503 0 1 EHAF O=C(O)C(=O)CC(=O)c1ccsc1Sc1cccc(Cl)c1 28524823 VIGZQJWQPFROCV-UHFFFAOYSA-N 340.809 3.779 0 1 EHAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccco4)[C@H]3C=C12 82051250 YHCAFRYYCQSBSZ-ZUSNPWOFSA-N 329.440 3.683 0 1 EHAF O=C1OCc2ccc(OCCOc3ccc(Br)cc3)cc21 96927361 QAKFKHAESSXGMO-UHFFFAOYSA-N 349.180 3.577 0 1 EHAF CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccc(C)cc2)cc1 100088080 FXEYAHJMEHBCBW-AERCQKQUSA-N 349.478 3.521 0 1 EHAF O=C(NCc1ncccc1F)c1nc2c(-c3ccccc3)cccc2[nH]1 103268351 KHDOVXNOBASBKM-UHFFFAOYSA-N 346.365 3.694 0 1 EHAF CSc1nn2cc(-c3cc4c(C(=O)O)cccc4o3)nc2s1 205922413 ZSLMDXAIWGWRHX-UHFFFAOYSA-N 331.378 3.624 0 1 EHAF Cn1c(NC(=O)c2ccc(N3CCCCC3)cc2)nc2ccccc21 211565835 LZGYFROVWCKFKP-UHFFFAOYSA-N 334.423 3.816 0 1 EHAF Cc1cc(NC[C@@H]2CCCCN2)n2nc(C)c(-c3ccccc3)c2n1 473172820 YQQDXYOYILTNOI-KRWDZBQOSA-N 335.455 3.567 0 1 EHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cn1 587246604 CXCCLVIMACXPBC-UHFFFAOYSA-N 330.338 3.888 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc3sccn13)O2 587413750 JLIIQZYRHWDMCM-NSHDSACASA-N 333.800 3.646 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(Cl)c[nH]c4nccc1-4)[C@@H](C2)C3=O 587423076 TVBAJUCNISESAU-GTNSWQLSSA-N 340.766 3.665 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ncn1CC)CC2=O 587462087 PEKAQSNMHXUTOG-AWEZNQCLSA-N 334.803 3.921 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(C1CCCC1)CC2=O 587478255 IRGJMNSYLQJKFK-FQEVSTJZSA-N 346.423 3.802 0 1 EHAF C[C@]1(c2cccnc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587519013 SXCVAVOWAMROKS-HXUWFJFHSA-N 337.375 3.539 0 1 EHAF COCC[C@@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587536088 RGPZGXWUHVLESV-NRFANRHFSA-N 344.451 3.733 0 1 EHAF Cc1c(Br)cnc2[nH]c(CCOCc3ccccc3)nc12 587566194 ZYSVWFFOEKOEHZ-UHFFFAOYSA-N 346.228 3.788 0 1 EHAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 587585216 CSNCQXALJAMANU-LPHOPBHVSA-N 337.331 3.566 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2F)N1 587737829 HOVIILLCDWCPTJ-RMLUDKJBSA-N 339.183 3.746 0 1 EHAF O=C(O)c1cc(F)cc2nc(COC/C=C/c3ccccc3)[nH]c12 587780588 DYHGYTGUMNDLIF-QPJJXVBHSA-N 326.327 3.630 0 1 EHAF Cc1oncc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587799527 ZUPCAGGJPZEKGG-ANRSDYALSA-N 339.208 3.682 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccccc32)N1 587816825 DQSJOCIHTDDUKJ-DYZYQPBXSA-N 332.216 3.922 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2OC2(C)C)N1 587828828 AANOFBBIAFVXAU-AFEMSUNCSA-N 328.225 3.515 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@]2(C)CCCO2)N1 587835097 UXDGKFSIEMUCNS-UHNFBRDESA-N 342.252 3.907 0 1 EHAF Cc1c(F)ccc2c1[C@@]1(CCN(Cc3ccccc3)C[C@H]1F)NCC2 962373963 KTPVVPNDKWAYQR-CTNGQTDRSA-N 342.433 3.719 0 1 EHAF CO[C@@H]1CCC[C@]2(C1)c1ccsc1CCN2Cc1cccn1C 962402355 ZQEBUYZFKINRJK-APWZRJJASA-N 330.497 3.929 0 1 EHAF Fc1cccc2c1[C@H](c1cnnn1Cc1ccccc1)N1CCC[C@H]1C2 963094032 KZTHNIAVCMJXLI-UWJYYQICSA-N 348.425 3.575 0 1 EHAF COc1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1 1772588932 QEBYQAGZRVJPRX-UHFFFAOYSA-N 329.739 3.707 0 1 EHAF Cc1cc2c(c(O)n1)C(=O)O/C2=C\c1cccc(Br)c1 1857557439 IOBWKSNUPRPJPK-GHXNOFRVSA-N 332.153 3.527 0 1 EHAF CO[C@]1(C)C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CC[C@H](O)[C@@]4(C)[C@@H]2C=C[C@H]1C3 2356332799 JMCDUBQYQMSCGT-QLSPXANJSA-N 348.483 3.636 0 1 EHAF CC(=CC(=O)O)CC[C@H]1[C@@]2(C)CCC[C@@](C)(CO)[C@H]2CC[C@@]1(C)O 2356478567 IYSBWLRXTOIYFZ-XIHRTOKZSA-N 338.488 3.764 0 1 EHAF COc1c(C)cc([C@@H](O)c2nc(-c3cccc(F)c3)c[nH]2)cc1C 61904360 RDBFMNJGLQGDQR-QGZVFWFLSA-N 326.371 3.923 0 3 EHAF CCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCC 13584594 NRXFMIKREFWFFP-UHFFFAOYSA-N 326.348 3.963 0 1 EHAF CCCCC[C@H](O)c1cccc(OCc2cccc(C(N)=O)c2)c1 25988127 ATTWUVZKYNMXCC-IBGZPJMESA-N 327.424 3.978 0 1 EHAF COc1ccc([C@H]2c3ccccc3-c3nc(N)nc(N)c3[C@H]2C)cc1 45228836 SEINHRLAJDFYDA-ZBEGNZNMSA-N 332.407 3.566 0 1 EHAF O=C1NC(=O)/C(=C/c2ccc(OCCOC3CCCCC3)cc2)S1 45358373 IEEUGBNDMZQXIA-VBKFSLOCSA-N 347.436 3.739 0 1 EHAF COC(=O)c1sc2cc(-c3cncc4ccccc34)cnc2c1N 66259499 HQEDXESEVWQZCW-UHFFFAOYSA-N 335.388 3.880 0 1 EHAF Nc1ccc(-c2cn(C[C@H](O)c3ccc(Cl)cc3Cl)nn2)cc1 95573123 GNRBQANLTMYMES-INIZCTEOSA-N 349.221 3.568 0 1 EHAF NC(=O)c1ccc(OC(=O)NC2CCCCC2)cc1-c1ccccc1 96167339 NNRPFNHFWJYWGE-UHFFFAOYSA-N 338.407 3.874 0 1 EHAF O=C(c1ccn2ccnc2c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 96169309 QDZYPNKWWFRYLQ-OALUTQOASA-N 331.419 3.669 0 1 EHAF Clc1ccccc1COc1ccc2c(c1)CCCc1nncn1-2 103219001 WNBUHXQVGABGLL-UHFFFAOYSA-N 325.799 3.988 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3nccs3)cc2)C[C@@H]2CC[C@@H]1N2C 167981635 XUJAZHYZOMZFOS-YVSFHVDLSA-N 342.464 3.549 0 1 EHAF C[C@H](CF)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 169363099 ISWUXQKIYIOEJI-XFPGOJQTSA-N 339.838 3.808 0 1 EHAF C[C@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586961304 HCZFQEKSGDECJV-ZETCQYMHSA-N 336.323 3.528 0 1 EHAF Fc1cnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 587007286 ZERLPCXWCVKFMD-UHFFFAOYSA-N 331.148 3.779 0 1 EHAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cncnc3[nH]2)cc1F 587148874 DNCBWWCCJLVRPX-INIZCTEOSA-N 338.317 3.800 0 1 EHAF COc1cc(-c2nc3cc(Cl)ncc3[nH]2)nn1-c1ccccc1F 587157252 YRWMWGKMYYALLV-UHFFFAOYSA-N 343.749 3.612 0 1 EHAF Cc1nc2[nH]c(-c3ccc(Cl)nc3F)nc2cc1Br 587177569 NMOBQNPUKMFLQP-UHFFFAOYSA-N 341.571 3.883 0 1 EHAF CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)CC5 587211258 BTGBIYQDDGERJU-UKRRQHHQSA-N 336.435 3.840 0 1 EHAF CC(=O)[C@@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587378447 OQGFHZNTYUOYFK-GOSISDBHSA-N 329.783 3.680 0 1 EHAF CCN(CC)CC1([C@H]2CC(=O)c3cc(C)cc(N)c3O2)CCCC1 587388216 YAHVKRZFLOVYLC-GOSISDBHSA-N 330.472 3.813 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccc(C)cc3nc1O)O2 587393886 BEUOJWJEWHATLX-SFHVURJKSA-N 334.375 3.846 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(N)cc31)CC2=O 587472547 JMZNRNGYURCTPJ-FQEVSTJZSA-N 339.391 3.570 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)cc1N)CC2=O 587473453 VGRWGNANGHDGFD-HXUWFJFHSA-N 341.407 3.816 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)cc1OC)CC2=O 587484279 XNFHOBJMEVSLNP-GOSISDBHSA-N 328.364 3.765 0 1 EHAF O=C1C[C@H](c2cccc(OCCO)c2)Oc2c1ccc1c2CCCC1 587522102 KBFLNHPBPRUPFC-HXUWFJFHSA-N 338.403 3.643 0 1 EHAF COc1cccc(C)c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587787506 VWKPSSBYAMUVNK-UHFFFAOYSA-N 342.708 3.961 0 1 EHAF CO[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587811152 NFDBHLZGYYTCQH-KANYHAFZSA-N 342.252 3.907 0 1 EHAF CCC(=O)[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814595 UQZQFSGJBHGYEQ-VFZGTOFNSA-N 328.225 3.707 0 1 EHAF CC[C@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587827300 KHZHJHGBXCIYFA-RFAUZJTJSA-N 344.224 3.593 0 1 EHAF Oc1cc(-c2ccco2)c(O)n1NCc1ccccc1Br 587939997 HZRBZRDWYWLMNE-UHFFFAOYSA-N 349.184 3.666 0 1 EHAF CSc1ccc([C@@H]2SCC(=O)N2c2ccc3c(c2)OCO3)cc1 1772609770 ITUPCOWNHORMGY-KRWDZBQOSA-N 345.445 3.916 0 1 EHAF O=C(C=Cc1ccccc1)NCCCCOC(=O)C=Cc1ccccc1 2356684196 NAFBBGZYPIGEDV-UHFFFAOYSA-N 349.430 3.853 0 1 EHAF CCOC(=O)N1C(=O)N(c2ccc(C)cc2)C2(CCCCC2)C1=O 95872966 PTMXTXVVMDPCON-UHFFFAOYSA-N 330.384 3.623 0 3 EHAF O=c1c2c(oc3cc4occc4cc13)COc1cc3c(cc1-2)OCO3 15147388 PAFJAGXRIBRIIB-UHFFFAOYSA-N 334.283 3.827 0 1 EHAF biogenic Cc1c(-c2cc[nH]n2)c(C(=O)Nc2ccccc2)nn1-c1ccccc1 29123457 DPFNSFZDSJPBNV-UHFFFAOYSA-N 343.390 3.823 0 1 EHAF CC(=O)c1c(O)c(C=O)c(O)c2c1O[C@@]1(CC2)CC[C@H]2C[C@@H]1C2(C)C 72107864 OCTSMNQXIWNGHW-GZNWPSJOSA-N 344.407 3.633 0 1 EHAF O=C1NC(=O)[C@H](c2ccccc2Cl)C[C@H]1c1ccccc1Cl 73197068 KKWIFGXARFNIBA-STQMWFEESA-N 334.202 3.907 0 1 EHAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccnc1 103910595 KRAMZTMPVIOQGM-GFCCVEGCSA-N 340.408 3.513 0 1 EHAF O=C(O)CCc1c(C(=O)O)[nH]c2c(F)c(-c3cccs3)ccc12 206130309 WSAWIARMTIVGHR-UHFFFAOYSA-N 333.340 3.751 0 1 EHAF C/C=C1\CC[C@H]2C3=Nc4ccccc4[C@]34C[C@@H](C[C@H]4OC(C)=O)N2C1 238785515 VNHKEWIAYPUPDF-FILGSIOKSA-N 336.435 3.529 0 1 EHAF COc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587006199 AUDLNDUNPYSQOG-UHFFFAOYSA-N 343.184 3.877 0 1 EHAF Fc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1F 587006509 LVCDZPZIILUXQI-UHFFFAOYSA-N 349.138 3.918 0 1 EHAF O[C@@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccccc1Cl 587058994 KPKNXXWIBQBNBK-LLVKDONJSA-N 328.586 4.000 0 1 EHAF Clc1c[nH]c2nc(-c3coc(-c4ccccc4Cl)n3)nc-2n1 587063440 VEWSCTRRBOWCLF-UHFFFAOYSA-N 332.150 3.933 0 1 EHAF FC(F)(F)COc1cc(-c2nc3ccnc(Cl)c3[nH]2)ccn1 587091006 DWBHROIDLJSHGO-UHFFFAOYSA-N 328.681 3.614 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)OC(F)(F)O4)[C@@H](C2)C3=O 587424527 OYMAFFBGDSSAJW-GTNSWQLSSA-N 346.285 3.505 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccn(CC(C)C)n1)CC2=O 587475312 MASXCLZZJPRJAE-GOSISDBHSA-N 328.412 3.904 0 1 EHAF CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2cc(F)ccc12 587634665 OLCYVRJKOWGLML-UHFFFAOYSA-N 329.302 3.859 0 1 EHAF COC(=O)Cc1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587783294 MSCYHKPKIQYDNB-UHFFFAOYSA-N 336.178 3.647 0 1 EHAF CCOC1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587807412 CHBNJHDZCCKMTD-IEBVAXJPSA-N 328.225 3.517 0 1 EHAF C[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587816920 FYMFCISOOXYNLT-LSYCYVAJSA-N 340.236 3.707 0 1 EHAF COc1ccc(OC)n1CC1CCN(Cc2ccc(F)cc2)CC1 587946653 MAADPOFRYBVLIO-UHFFFAOYSA-N 332.419 3.557 0 1 EHAF NC(=O)c1cccc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587959740 UFRRDFFMJIMSJY-UHFFFAOYSA-N 327.387 3.920 0 1 EHAF CCN(CC)c1ccc(NC(=O)c2nnn(C)c2-c2ccccc2)cc1 1857546929 SXVDVXYGQNDTET-UHFFFAOYSA-N 349.438 3.581 0 1 EHAF COc1ccc2c(=O)c(-c3cc(-c4ccc(O)cc4)nn3C)coc2c1 1857653888 SNWDMOSQPUFAFD-UHFFFAOYSA-N 348.358 3.575 0 1 EHAF CC(C)=CCCC1=CCC[C@](C)([C@@H](O)CCC(C)=CCO)OC1=O 2356427817 NSHPGTBWUZPWGW-AZUAARDMSA-N 336.472 3.835 0 1 EHAF CC1(C)C(=O)[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2[C@@H](O)C[C@H]1C3 2356566486 JCSHAZPWEHTAMT-KLYCUXHSSA-N 348.483 3.660 0 1 EHAF CCCCN1[C@H]2CCC[C@H]1CC(NC(=O)c1cccc(OC)c1)C2 101283049 SFCXZTUIPCMBFB-ROUUACIJSA-N 330.472 3.611 0 3 EHAF COc1ccccc1N1C(=O)[C@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@@H]2C1=O 13147101 DFGBJOCJIRNYHE-MHZKCTCGSA-N 347.414 3.624 0 1 EHAF CC(C)c1ccc2c(c1O)CC[C@H]1[C@]2(C)C[C@H](O)C[C@@]1(C)C(=O)O 13480851 FISWABMBZRVIKJ-BBMNMQHQSA-N 332.440 3.581 0 1 EHAF biogenic NC(=O)c1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2c1 13612157 HCPHXVGNGUBXKX-UHFFFAOYSA-N 343.386 3.908 0 1 EHAF N=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1 13734824 MSLKVFBRCUTEGR-UHFFFAOYSA-N 336.483 3.925 0 1 EHAF Cc1ccc(SC[C@@H](CC(C)C)N2CCN(C)CCC2=O)cc1 13830506 UMSKLOYZYVCKFU-QGZVFWFLSA-N 334.529 3.666 0 1 EHAF CN1CCN(C2=Nc3ccc(Cl)cc3Nc3cscc32)CC1 39241374 VRTVVHRYCJHXOF-UHFFFAOYSA-N 332.860 3.784 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(Cl)c(Cl)c1)[S@]2=O 40767501 MIMHZFDDUBVDSD-FOUOIGACSA-N 347.263 3.550 0 1 EHAF CCCOC(=O)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3 45284737 ZZAOHJAZKRMYHI-UHFFFAOYSA-N 334.375 3.896 0 1 EHAF Cc1cccc(-c2cc3nc(NCCN)c4ncc(C)n4c3s2)c1 66099684 MJTNAOOMWVIUOI-UHFFFAOYSA-N 337.452 3.598 0 1 EHAF C=Cc1cccc(-c2cc3c(cc2C(=O)OC)OCO3)c1N(C)C 96909165 TZUMHJZDNBDWRI-UHFFFAOYSA-N 325.364 3.578 0 1 EHAF COc1ccc2[nH]c3c(c2c1)C[C@H]1c2cc4c(cc2CCN1C3)OCO4 209370989 HOTTYHVEFWTDND-IBGZPJMESA-N 348.402 3.561 0 1 EHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(Cl)nc2[nH]1 586882075 JIFLHFJEYIJHLM-UHFFFAOYSA-N 327.771 3.540 0 1 EHAF Clc1cccc(-c2cc(-c3nc4nc(Cl)c[nH]c-4n3)n[nH]2)c1 587067974 DQEMGXAIHYZOBO-UHFFFAOYSA-N 331.166 3.668 0 1 EHAF OCCc1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 587143172 ZDRSATLKCNMKRM-UHFFFAOYSA-N 335.176 3.666 0 1 EHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3c(Cl)ccnc3[nH]2)cn1 587247178 JCAIXTSDZTYWST-UHFFFAOYSA-N 329.791 3.658 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1OCO3)CC2=O 587483207 DZOZWBGKWNYJFF-QGZVFWFLSA-N 326.348 3.780 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1csc(COC)n1)CC2=O 587492150 BAXNFTWDYBDDJJ-HNNXBMFYSA-N 333.409 3.654 0 1 EHAF COC(=O)c1[nH]cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587528459 ZIYSHQQBDNYGBB-QGZVFWFLSA-N 339.391 3.695 0 1 EHAF Cc1cccnc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585858 HBSOALCQUVVURZ-LAUBAEHRSA-N 347.370 3.973 0 1 EHAF C[C@@]1(c2ccns2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620359 YKTNVCWAVRJWIQ-QAPCUYQASA-N 339.372 3.726 0 1 EHAF CC(=O)C[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810252 CFYZLZHDDZJYJJ-QLJPJBMISA-N 342.252 3.953 0 1 EHAF C/C(=C\c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C1CCCCC1 587968500 RCBZUCBRHHZMKC-OUKQBFOZSA-N 347.484 3.797 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(COCc3cc(OC)ccc32)N1 962947482 NOLHETDJLCLBMK-IVZQSRNASA-N 348.446 3.875 0 1 EHAF COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)CCO3)cc1F 1772605194 DIDJSHAGCYRIKV-ONEGZZNKSA-N 327.399 3.914 0 1 EHAF CC(C)Cc1nn(-c2nccs2)cc1C(=O)Nc1ccc(F)cc1 1772615338 QGHKZHWJOMONDF-UHFFFAOYSA-N 344.415 3.919 0 1 EHAF CNC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1 1857566238 UWVFEENBJKSTRD-UHFFFAOYSA-N 341.451 3.848 0 1 EHAF CC(=CC[C@]1(C)CC[C@H](C(C)(C)O)[C@@H]1CCC(=O)O)CCC(=O)O 2356347009 IDHHDXMWDQBKJS-YZVOILCLSA-N 340.460 3.856 0 1 EHAF CC1=CCC[C@](C)(O)[C@H](O)CCC(C)=C[C@@H]2OC(=O)C(C)=C2CC1 2356596569 KISXSEZMRISOQB-NSHGMRRFSA-N 334.456 3.587 0 1 EHAF C[C@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccccc2F)=NO1 12726016 RCRWBWBPCNDVHS-LJQANCHMSA-N 337.354 3.839 0 3 EHAF COCc1cccc(-c2ccc3c(c2)N(C(C)C)C(=O)COC3)c1 74375152 CVGIOQRFWTUHKS-UHFFFAOYSA-N 325.408 3.772 0 3 EHAF COC(=O)c1c(C)cccc1[C@H]1CN=N[C@@]12Cc1cccc(C)c1C2=O 5542397 PBHZKZJCBJXNHD-IERDGZPVSA-N 348.402 3.817 0 1 EHAF COc1cc2c(c3ccoc13)O[C@H](c1ccc3c(c1)OCO3)CC2=O 14594226 BFDADKFUXPCGHG-HNNXBMFYSA-N 338.315 3.877 0 1 EHAF biogenic COc1ccc2c(c1)/C(=C/N(C)C)C(=O)N2c1cccc(Cl)c1 27437293 IAVGNQGVAZBLTJ-WJDWOHSUSA-N 328.799 3.929 0 1 EHAF Cc1ccc2c(c1)-c1nc(N)nc(-c3ccc(Br)o3)c1C2 28127499 USGQXTUOPXWJHU-UHFFFAOYSA-N 342.196 3.961 0 1 EHAF CN1CCN(COc2ccc(-c3cc(-c4ccccc4)on3)cc2)CC1 28370485 MPBUQZPZRXBAIA-UHFFFAOYSA-N 349.434 3.592 0 1 EHAF NC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccccc1F 29136030 VDPKWHHLYDETTO-UHFFFAOYSA-N 341.332 3.924 0 1 EHAF in-vivo C[C@@H]1CC[C@]2(C)[C@]3(C)CC[C@]2(OC3=O)[C@@]12C[C@@H](c1ccoc1)OC2=O 34172595 LJUJJGHPDOTAAY-WWDKYFMWSA-N 344.407 3.786 0 1 EHAF COc1cc(C(=O)c2oc3ccc(O)cc3c2C)cc(OC)c1OC 45348927 FGNFSMZCGPOOOY-UHFFFAOYSA-N 342.347 3.704 0 1 EHAF CC[C@@H]1COc2cccc3c(=O)c(C(=O)N(C(C)C)C(C)C)cn1c23 95552223 NWQXSGCFNCWPHK-CQSZACIVSA-N 342.439 3.604 0 1 EHAF C[C@H]1C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2F)c2ccccc21 95595648 KNHQQAUXYVUKEB-CYBMUJFWSA-N 335.382 3.877 0 1 EHAF COc1ccc(-c2c(N)oc3ccc(Cl)cc3c2=O)cc1OC 101504555 BMHUGXKHFZYUKW-UHFFFAOYSA-N 331.755 3.713 0 1 EHAF CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1C#N 116109889 BDLSIEXAHBHVIM-KRWDZBQOSA-N 347.374 3.654 0 1 EHAF O=c1cc(C(F)F)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12 169724620 JQAGJROIHSNEGB-UHFFFAOYSA-N 329.228 3.646 0 1 EHAF 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CC(=O)CCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587809706 AWBUJQOJOMYPFS-TVQRCGJNSA-N 328.225 3.923 0 1 EHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(=O)O)cc2[nH]1 587926619 KAQNTSNXHGPVOS-CYBMUJFWSA-N 340.379 3.820 0 1 EHAF COc1ccc(CCCc2nc3cncc(Cl)c3[nH]2)c(OC)c1 587928348 DNYUZYKWZOFBPE-UHFFFAOYSA-N 331.803 3.804 0 1 EHAF COc1cncc(CC[C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)c1 963110162 QPGAZDGXOPMMEX-YLJYHZDGSA-N 326.415 3.924 0 1 EHAF CC(C)(C)c1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1 1857615068 QGGBGPSNZKZVAS-UHFFFAOYSA-N 340.467 3.757 0 1 EHAF OC(CO[C@@H]1CC[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21)(C(F)(F)F)C(F)(F)F 2356562965 LDINMRIWMAKHOC-MFDAYCCISA-N 332.284 3.683 0 1 EHAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@@H](C)[C@H]2CC[C@](C)(O)[C@@H](CC1)O2 2356861443 UIXXPUQGCNBHRT-XGWLOPGHSA-N 334.456 3.683 0 1 EHAF C[C@]12C=C[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 61946918 AUOZSTYQILOQPO-XSEPRYCASA-N 330.468 3.829 0 3 EHAF Cc1cccc(CN[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)c1 205705654 JSANFAMPNFVYIX-QKNQBKEWSA-N 326.484 3.798 0 3 EHAF COc1cc2c(cc1OC)C[C@@H](NC[C@@H](OC)c1ccccc1)CC2 14953645 QWXYKBOVJZROBE-GHTZIAJQSA-N 341.451 3.538 0 1 EHAF in-vitro COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H](C)[C@H]2C)cc1OC 26508497 PAGIVPCQHJQBLJ-ZIAGYGMSSA-N 338.407 3.727 0 1 EHAF O=C(Nc1ccc(Cl)cc1)c1cccnc1NCc1ccncc1 28957029 NOSWLVYNWMYEPM-UHFFFAOYSA-N 338.798 3.994 0 1 EHAF COc1ccccc1/C=C/CN1CC[C@@]2(CCCN(CC3CC3)C2)C1 39460905 KRWJXUKCBZEHGN-SNXGKTBFSA-N 340.511 3.906 0 1 EHAF O=[S@](C[C@]12N[C@H](Cc3ccccc31)c1ccccc12)c1ccccc1 40738013 HTVFYUVEJALYGO-SLSDLSHTSA-N 345.467 3.938 0 1 EHAF Nc1nc2ccc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)cc2s1 96169392 LHTMBWOHTNBLDC-RDJZCZTQSA-N 349.459 3.823 0 1 EHAF CN1C(=O)N(c2ccc(C#Cc3ccccc3)cn2)[C@@H]2CCCC[C@@H]21 144292771 NEJNZWMONLOGMV-RBUKOAKNSA-N 331.419 3.664 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCNCC[C@@]43C)[C@@H]1CC=C2n1ccnn1 169208836 JPPUIHMLGXQXDE-ZKHIMWLXSA-N 340.515 3.971 0 1 EHAF CC[C@@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\CCCC(=O)O 169622104 HIFJAIFWUBZVMA-CWIRSQHBSA-N 334.456 3.934 0 1 EHAF NC(=O)c1cccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12 586897360 CDXGPRUTMJOCKC-UHFFFAOYSA-N 329.359 3.701 0 1 EHAF COc1cccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c12 587040121 KHBALOWRZUNKED-NSHDSACASA-N 335.429 3.554 0 1 EHAF COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(F)c2[nH]1 587064388 AFGVNTXOWMDSJA-UHFFFAOYSA-N 334.734 3.756 0 1 EHAF Oc1nncc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587094957 KMLJQGIVNPJNGC-UHFFFAOYSA-N 348.206 3.763 0 1 EHAF COC(=O)[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587098791 UNEWRSQJFBXSRC-MRXNPFEDSA-N 343.382 3.957 0 1 EHAF N=c1ncc(-c2cccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)c[nH]1 587254145 HDJZLIJHACDSPQ-UHFFFAOYSA-N 341.418 3.978 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncccc1C(F)(F)F)O2 587383276 VLYPMMIHRBVQIF-INIZCTEOSA-N 336.313 3.872 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(C(=O)c1cccc(Cl)c1)[C@@H](C2)C3=O 587417937 FUDICBMKXLJPRQ-IFXJQAMLSA-N 342.778 3.738 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(C[C@H](C)Oc4ccc(F)cc41)[C@@H](C2)C3=O 587428644 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MPUIGOFVPATUCC-LBPRGKRZSA-N 326.371 3.992 0 1 EHAF OCc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)nn3n2)c1 1857608386 IQTUNNMBYXPNHA-UHFFFAOYSA-N 336.782 3.604 0 1 EHAF CN(c1ccccc1)c1cc(NCc2ccccc2)c(C(N)=O)cn1 1857614491 ALOLMLZROWSAKS-UHFFFAOYSA-N 332.407 3.561 0 1 EHAF CCCCCC[C@H](C)C=C(C)[C@@H](O)[C@H]1CC(=CCC(=O)O)C(=O)O1 2356528937 NNWCGBORNRHSIQ-FDQGKXFDSA-N 338.444 3.617 0 1 EHAF c1cc(-c2cc3c(o2)CCC[C@H]3OCCN2CCOCC2)cs1 95568272 YWAGGARONPNIQP-MRXNPFEDSA-N 333.453 3.734 0 3 EHAF CC[C@@H]1C(=O)C[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O 1654672 RTEFBYKMZREDFG-USANHHIESA-N 330.468 3.694 0 1 EHAF O[C@@]1(CSc2ccc(-c3ccccc3)cc2)CN2CCC1CC2 3795459 VENATLDJGBZYNB-HXUWFJFHSA-N 325.477 3.902 0 1 EHAF CCc1nnc2c(Nc3cccc(C(C)=O)c3)nc3ccccc3n12 6901647 HWGWMXSXUZINRB-UHFFFAOYSA-N 331.379 3.786 0 1 EHAF O=c1c(-c2ccccc2)ccnn1[C@@H](CN1CCCC1)c1ccccc1 13488433 ZQDCQWNIDZCDEA-NRFANRHFSA-N 345.446 3.596 0 1 EHAF Cc1cc(C)cc(CN2C(=O)O[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1 13740656 CWKCHSOULBLCED-IBGZPJMESA-N 348.402 3.875 0 1 EHAF COc1cc2nc3c(c4c2c(c1OC)NCC4)CCc1cc(O)ccc1-3 27192529 ANGWVJALBZMJRI-UHFFFAOYSA-N 348.402 3.691 0 1 EHAF O=C(CNC(=O)OCc1ccccc1)Oc1cccc2ccccc12 28765870 ZECLNIPQGZLMRR-UHFFFAOYSA-N 335.359 3.672 0 1 EHAF O=C(NCC1CCNCC1)c1ccccc1-c1ccccc1Cl 49034797 UBSCQJXIXMLRBB-UHFFFAOYSA-N 328.843 3.736 0 1 EHAF O=C(NCC1CCNCC1)c1cc(F)ccc1-c1cccc(Cl)c1 49047177 HIMUUPFVNKPYCK-UHFFFAOYSA-N 346.833 3.876 0 1 EHAF CCN1C(=O)CN(CC2CCCCC2)C(=O)c2cc(Cl)ccc21 95558779 KMTRSQCZTLCJMU-UHFFFAOYSA-N 334.847 3.729 0 1 EHAF O=C(c1ccc2nccn2c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 96169246 DBVFOMYYIPYKCN-MOPGFXCFSA-N 331.419 3.669 0 1 EHAF CCNC(=S)N1N=C(c2ccccn2)C[C@H]1c1ccc(Cl)cc1 103193111 OFJFOGJBRAWTNH-INIZCTEOSA-N 344.871 3.781 0 1 EHAF COc1cc(OC)c(/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 103297542 LSQPUVCJVISSDF-SOFGYWHQSA-N 330.380 3.900 0 1 EHAF CCN(C(=O)N1CCC(=CC#Cc2cccc(C)n2)CC1)C(C)C 140706882 IWRIPKVWTDSOGO-UHFFFAOYSA-N 325.456 3.614 0 1 EHAF CC(=O)Oc1cc2c3ccncc3n(C(C)=O)c2cc1Br 144707210 WAQMAUZBBFONMB-UHFFFAOYSA-N 347.168 3.537 0 1 EHAF COc1ccc(N2C(=O)C(C)(C)[C@@H]2c2cccc3nccnc23)cc1 169324234 ZITSKYTZPQBZEZ-SFHVURJKSA-N 333.391 3.753 0 1 EHAF CC(=O)[C@]1(O)[C@H](CO)[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 238760563 ZHQBBLCLYQVUIP-FXQCRCGESA-N 348.527 3.958 0 1 EHAF COC(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2n1 586896386 DBCQBVHGSWHGOY-UHFFFAOYSA-N 345.358 3.784 0 1 EHAF CCc1oc2ccccc2c1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586903287 IKGXMVYWPATAPK-UHFFFAOYSA-N 342.376 3.785 0 1 EHAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cncc(Cl)c3[nH]2)n1 587117390 GIZQHSOFNSKTCN-UHFFFAOYSA-N 341.724 3.752 0 1 EHAF COc1c(F)cc(-c2nc3cncc(Br)c3[nH]2)cc1F 587134505 HXOSLGMFBLJVFY-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1F 587153129 WISFGVNWBMDNSG-YUMQZZPRSA-N 340.255 3.873 0 1 EHAF COc1ccc(NC(C)(C)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 587201561 SBFUSTZLDJTREY-UHFFFAOYSA-N 343.358 3.756 0 1 EHAF O=C(NCCc1nc2ccc(Cl)cc2[nH]1)OCc1ccccc1 587228449 MFWJBEKLELJHCC-UHFFFAOYSA-N 329.787 3.685 0 1 EHAF Cc1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2n1 587241986 MVQRRDILRLNYJV-UHFFFAOYSA-N 340.383 3.986 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1nc(C)no1)CC2=O 587481806 IIJMUCRPMXZKCP-IFXJQAMLSA-N 342.395 3.708 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2C[C@@H](C2(C)C)[C@]1(C)O 587491963 XUXFVBNOJQTQKE-NTDJRVFHSA-N 344.451 3.866 0 1 EHAF Cc1cncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587587584 OUQICQKCNMAMLW-PXNSSMCTSA-N 333.343 3.799 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2)N1 587833793 PITMNBJHTZSAIT-XXFAHNHDSA-N 336.204 3.917 0 1 EHAF Cc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587857243 ZDFPCKCFJHIBQQ-FUXBKTLASA-N 341.249 3.977 0 1 EHAF N=c1[nH]cc2nc(/C=C/c3ccccc3Oc3ccccc3)nc-2[nH]1 587949216 BWJCQAUGDHWPKU-ZHACJKMWSA-N 329.363 3.680 0 1 EHAF Cc1ccccc1C(C)(C)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587954847 GNMPYGPLVHQDTN-UHFFFAOYSA-N 348.494 3.949 0 1 EHAF CN1Cc2cc(-c3ccc(-c4ccc(C(N)=O)cc4)s3)ccc2C1=O 653716040 WPXRLDJJDCXBKP-UHFFFAOYSA-N 348.427 3.767 0 1 EHAF Cc1cc2c(cc1F)[C@@](C)(c1c(F)cccc1-n1cccn1)NCC2 962297812 LEKXKTDGJDLTQD-FQEVSTJZSA-N 339.389 3.868 0 1 EHAF CN(C)[C@@H]1CCC[C@@]2(C1)c1ccsc1CCN2Cc1cccn1C 962371717 HKIBKQIVPIAOHM-OXQOHEQNSA-N 343.540 3.844 0 1 EHAF O=C1Oc2ccccc2C[C@]12NCCc1cc(-c3ccccc3)ccc12 962664385 GKJLIUHORJZOEK-HSZRJFAPSA-N 341.410 3.856 0 1 EHAF CC1(C)[C@H](c2ccccc2)C[C@@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962901991 UZDYBXINYBZVAZ-WJPUGNRLSA-N 339.410 3.834 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@@H]([C@@]32C)[C@]1(C)CCC1=CCOC1=O 2356529135 VAGWFVOITDPYDG-KQFONWOYSA-N 330.424 3.564 0 1 EHAF CCC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 212160 UOYNCKOPUNYWCU-SFHVURJKSA-N 346.789 3.759 0 3 EHAF CCCCc1nc2cc(C(=O)N3CCCC[C@@H]3CCO)ccc2o1 14977696 XKTZUHDHFYWVGT-OAHLLOKOSA-N 330.428 3.548 0 3 EHAF CCCCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)O 59991737 SBCBFEMLWQXISN-SFHVURJKSA-N 327.424 3.922 0 3 EHAF CO[C@@H]1C(=O)[C@H](C)[C@]23CC[C@]2(C)[C@H](Br)C[C@]3(C)[C@@H]1C 14649702 NMUUELQQXZGRRS-DDDLHLMHSA-N 329.278 3.816 0 1 EHAF biogenic CC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@H](c1ccc(O)cc1)CO2 14819460 UYDQKAKPHFFLDY-HNNXBMFYSA-N 340.375 3.671 0 1 EHAF biogenic COc1ccccc1N1CCN(CCCSc2ccccc2)CC1 28886668 DZDQHGUGSYTHEN-UHFFFAOYSA-N 342.508 4.000 0 1 EHAF CN(C)C(=O)c1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1 29135785 NNGZQFMEUDKRPM-UHFFFAOYSA-N 348.402 3.859 0 1 EHAF Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1S2 34064302 NYXDYIWPZMXTPA-UHFFFAOYSA-N 329.856 3.788 0 1 EHAF COc1cc2c(cc1O)-c1ccc3cc4c(cc3c1N(C)C2)OCO4 34171134 UBWFSMHTMUTNBB-UHFFFAOYSA-N 335.359 3.900 0 1 EHAF C[C@H]1CN(c2ncnc3c2oc2ccc(Cl)cc23)C[C@@H](C)N1C 49087777 QHJWYUAMRUHBEJ-PHIMTYICSA-N 330.819 3.558 0 1 EHAF COc1ccc(-c2cc(-c3ccc4ncccc4c3)cnc2N)cn1 95578008 LPEJLBJOQQSAGF-UHFFFAOYSA-N 328.375 3.950 0 1 EHAF C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 98063661 QOQOHWIHMCTUKL-CBKQULDISA-N 332.484 3.932 0 1 EHAF COc1ccc([C@@H](C)Cn2ccnc2O)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2 100906556 GWUQKOQGKGTLBN-MMNPAVHPSA-N 342.439 3.968 0 1 EHAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCCC1 144695414 QSPJBNPNPUUZNP-SFHVURJKSA-N 347.336 3.701 0 1 EHAF CC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccccc4)oc3c2)[C@H]1C 168466268 JWSNHFHRGRQMPP-WFASDCNBSA-N 333.391 3.991 0 1 EHAF Cc1ccc(/C=C2\CNC[C@@H]3C2=NC(=O)N[C@H]3c2ccc(C)cc2)cc1 169730001 LMFKZPIECIZZIM-AQKLWOLUSA-N 345.446 3.812 0 1 EHAF C[C@H]1C[C@H]2OC(=O)[C@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 238737173 HQLLRHCTVDVUJB-VDXOJLEMSA-N 332.440 3.721 0 1 EHAF O=C1c2cc(OCc3ccccc3)nn2CC[C@@H]1c1ccc(F)cc1 299838217 MJMDGAOVNJPSIR-QGZVFWFLSA-N 336.366 3.971 0 1 EHAF O[C@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)C1CCOCC1 586918112 WLNWLKLHOKZYOV-IBGZPJMESA-N 338.407 3.602 0 1 EHAF COc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1Cl 586967433 XDLLJGVCJFGJAR-UHFFFAOYSA-N 349.799 3.610 0 1 EHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cncc(Cl)c2[nH]1 587112909 IGBVZYAMZLIZII-NSHDSACASA-N 340.736 3.873 0 1 EHAF Cc1nccc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc12 587204425 JNNMVZIBQUWJKZ-ZDUSSCGKSA-N 332.448 3.748 0 1 EHAF CCOc1ccc2c(c1)[C@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1 587414994 XKCWVPDDFOFILY-FQEVSTJZSA-N 339.391 3.619 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnc(C(C)C)nc1)CC2=O 587488769 JOUWEKFDLGGRLP-KRWDZBQOSA-N 326.396 3.965 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)O)s1)CC2=O 587493776 HTVJZWIICCHGME-ZDUSSCGKSA-N 332.377 3.811 0 1 EHAF Cc1coc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587772130 DJQKOIIILKUKAI-AYVTZFPOSA-N 339.208 3.682 0 1 EHAF C[C@H](Cn1cc(Cl)cn1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874320 UZKAKSVIABTYKH-SECBINFHSA-N 346.749 3.621 0 1 EHAF COC(=O)c1ccc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 587929399 ISBCPHLDDONQKX-XOBRGWDASA-N 336.391 3.803 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@]12CC[C@@H]1[C@H](C(=O)OCC)[C@@H]12 963232388 RXZZHZIZAWYNMH-QOUKUZOOSA-N 327.468 3.758 0 1 EHAF COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCO3)c(F)c1 1857537891 GWYXHPBNXFIVJX-ONEGZZNKSA-N 329.371 3.708 0 1 EHAF O=C(C1CCN(c2ccccc2)CC1)N1N=CC[C@@H]1c1ccccc1 1857592646 REVOJJXKVWMXFV-HXUWFJFHSA-N 333.435 3.862 0 1 EHAF COc1cccc(N=c2[nH]c3c(F)cc(F)cc3c(O)c2C(C)=O)c1 1857604788 OMDGYTRJZGFNMK-UHFFFAOYSA-N 344.317 3.595 0 1 EHAF COc1cccc(COc2cccc3o[nH]c(=Nc4cccnc4)c23)c1 1857758564 DGQDEBPIBBBVAV-UHFFFAOYSA-N 347.374 3.976 0 1 EHAF C/C(=C\C(=O)O)CC[C@H]1C(CO)=CC[C@H]2[C@@](C)(CO)CCC[C@]12C 1857760710 SERDZKPWHNAKBJ-NOJLVZHDSA-N 336.472 3.541 0 1 EHAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](CCC[C@]1(C)O)C2=O 2356439957 JAUSPTWEASSNRQ-KJYZGMDISA-N 348.439 3.972 0 1 EHAF CC(=O)[C@@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C 2356581477 XJVNAZVHBATLOY-DDKLBDGZSA-N 333.516 3.677 0 1 EHAF COc1cc2c(c(O)c1CC=C(C)C)C(=O)[C@@H]1C=CC=C(O)[C@H]1N2 2356743379 YGENZUHDMDYFEM-PXAZEXFGSA-N 327.380 3.514 0 1 EHAF C[C@@H]1C[C@@H](C)CN(C(=O)Cc2c(C(=O)O)[nH]c3ccc(Cl)cc23)C1 4920389 QYPHOIYMMDYWFE-GHMZBOCLSA-N 348.830 3.567 0 3 EHAF COc1cccc(CNC(=O)[C@H](Cc2ccccc2)n2cccc2)c1 5055355 QMJBCHFGWOITNZ-FQEVSTJZSA-N 334.419 3.597 0 3 EHAF O[C@H](c1cc(C(F)(F)F)nc2c(F)cccc12)[C@H]1CCCCN1 1606162 QZXXLTVOSXDWNR-IUODEOHRSA-N 328.309 3.568 0 1 EHAF COC(=O)c1c(C)nc(C)c(NO)c1-c1ccccc1C(F)(F)F 1643238 WLHISASHDPFJLT-UHFFFAOYSA-N 340.301 3.972 0 1 EHAF CSc1nc(O)c2c(n1)N=C1CCCC(=O)[C@H]1[C@H]2c1cccs1 8577790 TUJRFXINBBRYDA-NWDGAFQWSA-N 345.449 3.553 0 1 EHAF Cc1c2n(c3ccc(Oc4ccccc4)cc13)CC[C@H]2N(O)C(N)=O 13760632 JEAYXPUXRGEAHW-QGZVFWFLSA-N 337.379 3.957 0 1 EHAF CC1(C)C=C(n2ccccc2=O)c2cc(-c3ccncc3)ccc2O1 13795431 CAVVLRBMBREECS-UHFFFAOYSA-N 330.387 3.971 0 1 EHAF c1ccc2[nH]c(C[C@H](c3nc4ccccc4[nH]3)[C@H]3CCCO3)nc2c1 26771936 HPCNQEOWJMLLPC-SCLBCKFNSA-N 332.407 3.945 0 1 EHAF biogenic CC(C)=CC[C@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 27882069 NVOIVNCGPIYQLV-UHZRXMQZSA-N 340.504 3.599 0 1 EHAF Cc1c(Oc2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12 28570717 OOXOMHKMWGSWSD-UHFFFAOYSA-N 337.375 3.730 0 1 EHAF in-vivo CNCC(=O)N1c2ccccc2N2CCc3cc(Cl)cc(c32)[C@H]1C 28770913 LUGCHXIWKALCOX-GFCCVEGCSA-N 341.842 3.661 0 1 EHAF CC(C)CCn1c(CN2C(=O)[C@H](O)c3ccccc32)nc2ccccc21 28824394 VZCXJSODYBRPQC-HXUWFJFHSA-N 349.434 3.663 0 1 EHAF CCCCCC[C@@H]([C@H](C)O)n1cnc(C(=O)NCc2ccccc2)c1 40504946 CFWDVWNYKYWZEX-LPHOPBHVSA-N 343.471 3.705 0 1 EHAF COc1cc(-c2c(O)n[nH]c2-c2cccc(F)c2)cc(OC)c1OC 49068588 NUZUBOXKAGOPOO-UHFFFAOYSA-N 344.342 3.614 0 1 EHAF Cn1ccc2cc(-c3nn(C4CCCC4)c4ncnc(N)c34)ccc21 64532065 LQIVXZFCXIBJSU-UHFFFAOYSA-N 332.411 3.682 0 1 EHAF O=c1[nH]c(SCc2cccc(Br)c2)nc2ccccc12 72205265 QSAIFNUVIABSEW-UHFFFAOYSA-N 347.237 3.978 0 1 EHAF CC(C)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1 82192373 ULYRBSSSHPFHCX-INIZCTEOSA-N 347.459 3.690 0 1 EHAF Cc1cccc(-c2noc(C3CN(C(=O)[C@@H]4CCC[C@@H](C)C4)C3)n2)c1 95574240 MFVPSSXAOAFJQR-GDBMZVCRSA-N 339.439 3.797 0 1 EHAF CCC(=O)NCCCc1cc(OC)ccc1-c1cccc(OC)c1 95583834 ZNOFYIUJRHQQNE-UHFFFAOYSA-N 327.424 3.830 0 1 EHAF CC[C@H](O)/C=C/C=C\C/C=C\C=C\C=C\[C@H]1O[C@H]1CCCC(=O)O 169622088 ZPAJZAMPZXISSE-RXTGXWMYSA-N 332.440 3.951 0 1 EHAF CCN(CC)C(=O)C[C@H](CO)c1ccc(OCc2ccccc2)cc1 473157179 UFBQPYBHXAADPI-LJQANCHMSA-N 341.451 3.600 0 1 EHAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4CCOC4)[nH]c3c2)cc1 586912958 YNAUVNORFGUTNW-CYBMUJFWSA-N 338.363 3.646 0 1 EHAF O=S(=O)(/C=C\c1nc2cc(Cl)c(F)cc2[nH]1)c1ccccc1 586924287 OJTBQVFILVAHEE-SREVYHEPSA-N 336.775 3.800 0 1 EHAF O[C@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccccc1Cl 587059109 MMYSMRZXHNKRCA-INIZCTEOSA-N 342.761 3.623 0 1 EHAF Cc1ccc(C)c2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12 587194869 YXCYZQSWLDADIX-CQSZACIVSA-N 346.475 3.697 0 1 EHAF CCOC(=O)c1ccc2[nH]c(C(=O)Nc3ccccc3CC)nc2c1 587240684 HQZFAHZEUGKWOZ-UHFFFAOYSA-N 337.379 3.554 0 1 EHAF Cc1ccc(CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1N 587250109 HINGALXFZQMLFL-UHFFFAOYSA-N 335.386 3.564 0 1 EHAF Cc1cccc(N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)c1 587393346 GWKDVVYNXWFGLW-UHFFFAOYSA-N 336.435 3.890 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(C(=O)O)c1Cl)[C@@H](C2)C3=O 587419395 LNBNOIMYOVIDPA-YVEFUNNKSA-N 344.750 3.536 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(O)[nH]c4cc(C)ccc14)[C@@H](C2)C3=O 587437706 JGNXRGQBEQGTQB-DJJJIMSYSA-N 335.359 3.679 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(O)c(OC)c1)CC2=O 587466386 NNPNYKHNURQXPD-INIZCTEOSA-N 346.354 3.905 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CN=O)(c1ccccc1)CC2=O 587470370 SWZKJIRHXIHYLR-LJQANCHMSA-N 325.364 3.972 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCN(c3ccccc3)C1)CC2=O 587476049 OGUQMPNGNOJTGB-OAQYLSRUSA-N 337.419 3.959 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccccc3)n1)CC2=O 587479391 ZCVUZOOFFCCUCF-LJQANCHMSA-N 349.390 3.632 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC(=O)O)(c1ccccc1)CC2=O 587491971 XWBPUQBYSIAGCM-HXUWFJFHSA-N 340.375 3.680 0 1 EHAF O=C1C[C@@](C(=O)O)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587507282 VOCIQIDVFBQHHW-FQEVSTJZSA-N 340.350 3.650 0 1 EHAF O=C1C[C@H](c2c(O)ccc3c2OCO3)Oc2c1ccc1c2CCCC1 587536003 QDZDAWKHNQXCIR-QGZVFWFLSA-N 338.359 3.706 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccccn1 587589582 VTBVRXFWKAFKAL-IEBWSBKVSA-N 347.370 3.750 0 1 EHAF CC(C)CC(=O)c1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587649986 UFFOOZJFLUHRQF-UHFFFAOYSA-N 347.358 3.819 0 1 EHAF COC[C@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587788846 AORJDVOOEVOKNK-MGPLVRAMSA-N 342.252 3.764 0 1 EHAF COc1ccc2c(c1)[C@H](c1cc(OC)c(C)cc1OC)N[C@@H]1CC[C@@H]21 962998258 UBSIZZRYUKKWSW-RRMPHLOHSA-N 339.435 3.959 0 1 EHAF COc1cccc2cc3c(nc12)[C@@H](c1ccc(O)c(Cl)c1)NCC3 963036839 OTVJZGYDORCAEE-GOSISDBHSA-N 340.810 3.838 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](O)C[C@@]2(C)C(=O)CC[C@H]32)C1 2356441731 CEFAOKKMPAXYIR-YUUPMBNKSA-N 348.483 3.501 0 1 EHAF COc1cc2c(c(O)c1C(C)C)CC[C@@H]1[C@@](C)(CO)C(=O)CC[C@]21C 2356577439 DRRKGPWOHIAOQU-ZLGUVYLKSA-N 346.467 3.706 0 1 EHAF COc1cccc(Nc2nc([C@@H](N)CCc3ccccc3)cs2)n1 61908621 KFIARVBQCAMPBS-AWEZNQCLSA-N 340.452 3.923 0 3 EHAF Cc1noc(NS(=O)(=O)c2ccccc2-c2cccs2)c1C 7718 SKJUIECMMRBDLX-UHFFFAOYSA-N 334.422 3.821 0 1 EHAF O=C(c1ccc2c(c1)ncn2-c1ccc(F)cc1F)N1CCCCC1 223906 HHZVTDIZPOOJQL-UHFFFAOYSA-N 341.361 3.930 0 1 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Cc1cc2c(O)nc(O)nc2nc1-c1ccc(F)c(C(F)(F)F)c1 587369274 XYDBGTHOXJFNAJ-UHFFFAOYSA-N 339.248 3.569 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3cccs3)nn1C)O2 587411014 AKTAFAZSQADHDB-INIZCTEOSA-N 339.420 3.746 0 1 EHAF CCc1nc2c(s1)[C@@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587413584 HRDQSXNQLMJXJC-GOSISDBHSA-N 328.437 3.793 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(Cl)cn1)CC2=O 587459490 CUEOHYPMEWRWBR-QGZVFWFLSA-N 332.787 3.669 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)CC2=O 587471896 WSEKGFVDVAGVMW-BDJLRTHQSA-N 349.427 3.592 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC)nc1C)CC2=O 587477903 VOLHOGRQVZSOAR-GOSISDBHSA-N 328.412 3.966 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1cccnc1)CC2=O 587488204 YRVUUJXOSJFDCD-GOSISDBHSA-N 349.390 3.836 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)C[C@@H]1C)CC2=O 587488516 KJMJYJUZKWITKG-SYTFOFBDSA-N 332.396 3.570 0 1 EHAF Cn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)cn1 587629721 ZDMHBOXMHCKDPF-UHFFFAOYSA-N 327.693 3.809 0 1 EHAF 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Cc1noc(C)c1-c1cc([C@H](O)[C@@H]2CCCCN2)c2ccccc2n1 1857544375 AVQOYZNLALJJRG-PXNSSMCTSA-N 337.423 3.682 0 1 EHAF COc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1OC 1857548525 JQMRBDRBWNQOMI-UHFFFAOYSA-N 348.402 3.696 0 1 EHAF COc1cccc(N2C(=O)c3cc4cccc(OC)c4cc3C2=O)c1 1857580477 KVYBMAXMVYPBFT-UHFFFAOYSA-N 333.343 3.658 0 1 EHAF O=S(=O)(/C=C/c1ccccc1F)c1ncccc1C(F)(F)F 1857585259 JKRLFQIQUWQHNR-VQHVLOKHSA-N 331.290 3.684 0 1 EHAF Clc1cc(Cl)cc(-n2cnc(-c3cc4[nH]nnc4cn3)c2)c1 1857656475 PXBUOEOSFSTIDA-UHFFFAOYSA-N 331.166 3.512 0 1 EHAF C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 2356429143 LXJUYLCCZZZHNK-HJSDYLBWSA-N 334.500 3.710 0 1 EHAF C[C@@H]1c2ccoc2C[C@@H]2[C@@H]1CC[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C(=O)O 2356598461 QRMVWXGDIZSPKK-SEIQWUNZSA-N 346.423 3.927 0 1 EHAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](CC=C(C)[C@@H](O)CC1)[C@@H](C)C(=O)O2 2356799979 PNMCIBFBQPGVAE-NUABRCLCSA-N 336.472 3.523 0 1 EHAF Cc1ccc2c(c1)COc1c3ccc(C(=O)N4CCCCC4)cc3nn1-2 13657630 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327.815 3.709 0 1 EHAF Cc1ncsc1CCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587027740 IOCKUIPRXDPXFF-UHFFFAOYSA-N 349.463 3.944 0 1 EHAF Oc1ccc2scc(-c3nc4nc(Br)c[nH]c-4n3)c2c1 587032582 KYHQUCOIUZNCJX-UHFFFAOYSA-N 347.197 3.654 0 1 EHAF CCC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354429 QQMKRCKMPXBDOO-APWZRJJASA-N 344.338 3.514 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(N)c1)O2 587377221 LUZUXHZNWYNAFX-HNNXBMFYSA-N 347.212 3.628 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnc(CC(C)C)s1)[C@@H](C2)C3=O 587449096 DVBGRQXADGJTML-KPZWWZAWSA-N 329.421 3.839 0 1 EHAF C[C@]1(Cc2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588954 VPYOHEJQGBOFKT-WIYYLYMNSA-N 347.370 3.750 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccnc32)N1 587780030 XQUALFYPTUWERX-QGHHPUGFSA-N 347.231 3.707 0 1 EHAF CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 587793845 LUJQFNCMNUCOJT-ANRSDYALSA-N 339.208 3.762 0 1 EHAF COC(=O)[C@H]1CCCC[C@@]12NCCc1c(Cl)cc(Cl)cc12 963126198 VKKBHDSWBROUMV-MLGOLLRUSA-N 328.239 3.698 0 1 EHAF 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36352026 NNPUXWURRMJAOE-UHFFFAOYSA-N 333.815 3.837 0 1 EHAF CN1CCC[C@H]1[C@H]1C[S@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 40429664 UNZBDOQVZFAUNP-UECWXEIQSA-N 347.524 3.661 0 1 EHAF CC(C)=CCC/C(C)=C/CNCCN[C@H]1C2C[C@@H]3C[C@H](C2)CC1(O)C3 45255373 PHCHTNGLBGGCLS-NMDCRMKRSA-N 346.559 3.798 0 1 EHAF Cc1ccc(CNC[C@H](O)Cn2c3c(c4ccccc42)CCCC3)cc1 73140554 WZJUMFSDXOLPBB-IBGZPJMESA-N 348.490 3.979 0 1 EHAF OC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc[nH]4)N=N[C@@H]23)CC1 89469175 KNEHLHAOTWTNII-ALLBUHFWSA-N 348.450 3.882 0 1 EHAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(Cl)c1)O3 96269847 WRKHABMMUINCRA-PIGZYNQJSA-N 346.766 3.803 0 1 EHAF CCc1cccc(C)c1NC(=O)CSc1nc2cc[nH]cc-2n1 101789229 YOCHNRCPMQTEKR-UHFFFAOYSA-N 326.425 3.511 0 1 EHAF Cn1cncc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986902 GVIWCNMDEAVVKA-UHFFFAOYSA-N 327.343 3.552 0 1 EHAF Cc1nc(-c2c[nH]cc2-c2nc3cc4c(cc3[nH]2)OCCO4)cs1 587020548 CKVQGWGGSDELBB-UHFFFAOYSA-N 338.392 3.761 0 1 EHAF Cc1c(-c2nc3ccc(O)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073776 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OJUQXXLGJMCBAQ-IBGZPJMESA-N 349.390 3.836 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)C(C)(C)C1)CC2=O 587488522 KJWLHXBYBXMSOI-VBKZILBWSA-N 346.423 3.960 0 1 EHAF COc1cncc(OC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516088 UNEVAZXIOWAJBT-MRXNPFEDSA-N 339.391 3.684 0 1 EHAF Cc1cc(Cl)cc2c(C[C@@H](N)C(=O)O)c(-c3ccccc3)[nH]c12 587627375 TZUAWWWLLDUIME-OAHLLOKOSA-N 328.799 3.751 0 1 EHAF Cc1coc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587772129 DJQKOIIILKUKAI-ANRSDYALSA-N 339.208 3.682 0 1 EHAF Cc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587772896 PMRUGEWPNFODCG-QFYYESIMSA-N 335.220 3.915 0 1 EHAF CCC(=O)Nc1snc2cc(-c3ccc(OC)c(OC)c3)cnc12 653773160 CHYDRKCZVNJVSR-UHFFFAOYSA-N 343.408 3.724 0 1 EHAF O=C(O)c1cccc2c1[C@@]1(NCCc3ccc(O)cc31)c1ccccc1-2 963339681 AIZWBWINBUDZIQ-JOCHJYFZSA-N 343.382 3.508 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCc2cc(F)ccc21 963613568 UYPFCCCRZMRGMK-ODXCJYRJSA-N 327.399 3.567 0 1 EHAF COc1cc2cc(c1OC)Oc1ccc(cc1)CCCOC(=O)CC2 1857584942 HIKHOJHPWDGJCN-UHFFFAOYSA-N 342.391 3.918 0 1 EHAF C[C@H](c1ccc2c(c1O)OCO2)c1nccc2cc3c(cc12)OCO3 1857745194 XCPMCGVNBGDZDW-SNVBAGLBSA-N 337.331 3.550 0 1 EHAF COC[C@@]1(O)[C@@]2(C)CC[C@@H]([C@@]2(C)C2CCCCC2)[C@@]12CCC[C@H]2O 2356465849 JXDQBFSPOGSUAB-HQZYFCCVSA-N 336.516 3.912 0 1 EHAF CC(C)(C)c1ccc(Sc2c(N)ccc3nc(N)nc(N)c23)cc1 5834077 WZKVRXYIRJKFNW-UHFFFAOYSA-N 339.468 3.825 0 1 EHAF Cc1c(C(=O)c2ccccc2F)c2ccccc2n1[C@@H](C)C(=O)O 13820964 BPLNPUXDRADAHE-LBPRGKRZSA-N 325.339 3.965 0 1 EHAF C[C@@H](Oc1ccc(Oc2cnc3cccc(Cl)c3n2)cc1)C(=O)O 29468807 LFJUCBUDWUQOHV-SNVBAGLBSA-N 344.754 3.927 0 1 EHAF CCC[C@H](CC1(C(=O)NC2Cc3ccccc3C2)CCCC1)C(=O)O 34803435 IJMNLPIVXCSBRI-QGZVFWFLSA-N 343.467 3.721 0 1 EHAF COc1ccc2c(C(=O)O)c(O)c(-c3ccc(Cl)cc3)nc2c1 35086876 QGTHIODSESIZRT-UHFFFAOYSA-N 329.739 3.968 0 1 EHAF O=C1Nc2cc(C(F)(F)F)ccc2/C1=C1\C(=O)Nc2ccc(F)cc21 40420436 AQPBMLPHYQICAI-BUHFOSPRSA-N 348.255 3.660 0 1 EHAF O=C(NCC1CCNCC1)c1ccccc1-c1ccc(Cl)cc1 49047506 RLBJMUXKFVXYFZ-UHFFFAOYSA-N 328.843 3.736 0 1 EHAF Cc1cc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)sn1 72108920 QHNJBHCDCYTMNB-UHFFFAOYSA-N 337.412 3.505 0 1 EHAF COc1ccc(-c2nn3c(C)cc(C(C)C)c3c(=O)n2C)c(Cl)c1 73223111 MYVFDXLEEWIVRS-UHFFFAOYSA-N 345.830 3.794 0 1 EHAF Cc1c(OCC(=O)O)cc2c(c1Cl)C(=O)[C@@](C)(c1ccccc1)C2 82036240 WKBDXLQGJAMMPD-LJQANCHMSA-N 344.794 3.809 0 1 EHAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)C)nnc2c1 84742642 QOUXRSOLEJEKEB-UHFFFAOYSA-N 348.450 3.894 0 1 EHAF in-vitro CCN(C(=O)c1ccccc1OCc1ccccc1)[C@@H]1CC[C@H](N)C1 96940034 DYRQQRKOTMEQHY-ZWKOTPCHSA-N 338.451 3.608 0 1 EHAF N=c1c(Cc2ccccc2)c[nH]c(=O)n1-c1ccc(Cl)cc1Cl 101378126 YHUSRLIFJWJYJI-UHFFFAOYSA-N 346.217 3.543 0 1 EHAF OC[C@H](Nc1cncc(-c2ccc(O)c(Cl)c2)n1)c1ccccc1 143928117 YFLGXECHDXSDGM-INIZCTEOSA-N 341.798 3.648 0 1 EHAF COc1ccc(-c2cnc3c(N4CCCC4)snc3c2)cc1OC 223103115 GWCVIFCEWZTPNP-UHFFFAOYSA-N 341.436 3.976 0 1 EHAF COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299820285 IVJOAORQVUYFDW-CITJYITGSA-N 347.499 3.639 0 1 EHAF Cc1cncc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c12 587020910 ZXKGWIQTJLJFMZ-UHFFFAOYSA-N 345.428 3.661 0 1 EHAF O=C1COc2cc3nc(-c4ccc(-c5nccs5)cc4)[nH]c3cc2N1 587023234 GDTSOMYTDUJOPB-UHFFFAOYSA-N 348.387 3.684 0 1 EHAF Clc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 587040949 KDBDJXFYUSKEHX-ZFWWWQNUSA-N 330.844 3.558 0 1 EHAF Fc1c(F)c(F)c(/C=C\c2nc3nc(Cl)c[nH]c-3n2)c(F)c1F 587133949 FYDFXWLJZNMHKE-UPHRSURJSA-N 346.646 3.824 0 1 EHAF Fc1ccccc1CCc1nc2c(F)cnc(Br)c2[nH]1 587149213 IDLQLZPTBFQUKG-UHFFFAOYSA-N 338.155 3.784 0 1 EHAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1C 587399789 MGLXVHZSONLAFY-KRWDZBQOSA-N 327.380 3.609 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ncnc(Cl)c3s1)O2 587413334 GXNLLELVSZTIBN-GFCCVEGCSA-N 345.811 3.942 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)cc1Cl)[C@@H](C2)C3=O 587417980 GCAORZPIVGGWHO-LIRRHRJNSA-N 343.810 3.903 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](COc1cccc(OC)c1)CC2=O 587478311 IVSIIRCGMDPYEO-OAHLLOKOSA-N 342.391 3.766 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)O)cc1)CC2=O 587492682 YBBPZWBXMJOCHR-FQEVSTJZSA-N 340.375 3.924 0 1 EHAF Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587613422 ORWYXCMPIOPIRJ-QAPCUYQASA-N 339.372 3.860 0 1 EHAF CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cccnc1 587633165 ZHLPESCPSXFBGF-UHFFFAOYSA-N 346.745 3.763 0 1 EHAF Cc1ccc(-c2ccc(-n3ncc4ccc(Cl)cc4c3=O)nn2)cc1 587652924 OLZIMPKHVCLJDU-UHFFFAOYSA-N 348.793 3.805 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncs2)N1 587851792 CNESFVQSWYPMGQ-CPFSXVBKSA-N 327.222 3.668 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(C[C@@H](O)c2ccccn2)N1 962958203 PDJJNJDAWNAKOP-MMACOIQUSA-N 335.451 3.826 0 1 EHAF CCCCc1ccc(OCC(=O)Nc2cccc(C(=O)OC)c2)cc1 1772600295 XEDGRLJBPSBATA-UHFFFAOYSA-N 341.407 3.833 0 1 EHAF CN1[CH]c2cc3c(cc2-c2ccc4cc5c(cc4c21)OCO5)OCO3 2356837456 AEGCCKHGZDYTKE-UHFFFAOYSA-N 332.335 3.924 0 1 EHAF CCCNC(=O)[C@]1(C)CCN(Cc2ccc(OC)c3ccccc23)C1 61898185 WFHODTZSJHSAMJ-OAQYLSRUSA-N 340.467 3.587 0 3 EHAF COCCN1C(=O)COCc2cc(-c3ccc(Cl)cc3)ccc21 74375043 XXCDJWCAQOCVSD-UHFFFAOYSA-N 331.799 3.517 0 3 EHAF Cc1nc(N2CCCC[C@@H]2C)c2c(C)c(C(=O)NC(C)C)sc2n1 223794 DTSDASDFCHAUTQ-NSHDSACASA-N 346.500 3.825 0 1 EHAF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CC[C@@H]2C(=O)CO 5529999 ZESRJSPZRDMNHY-BPFKYNMISA-N 330.468 3.696 0 1 EHAF CC1=C2CCC=C3C(=O)OC[C@@]32CCC2=C1[C@@H](c1ccoc1)OC2=O 15148279 ZDTSKNVEGNGEGL-YLJYHZDGSA-N 338.359 3.548 0 1 EHAF biogenic CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@@H]1CC(=O)NC1CCCCC1 25430057 XOIADDPQMVOAEX-JKSUJKDBSA-N 336.520 3.746 0 1 EHAF biogenic O=c1c2c(c3cccnc3n1-c1ccc(Cl)c(Cl)c1)OCC2 28762331 KOLWONSUMYWFLJ-UHFFFAOYSA-N 333.174 3.627 0 1 EHAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1ccccc1)CCC3 28968805 YXNFFIJMMWEUIN-UHFFFAOYSA-N 347.418 3.853 0 1 EHAF CCOC(=O)[C@H]1CCCCN1Cc1coc(-c2ccccc2C)n1 72181194 LHSWMYWDCSRTMW-QGZVFWFLSA-N 328.412 3.568 0 1 EHAF COc1cc2c(cc1C(C)C)CC[C@H]1C(C)(C)CC[C@@H](O)[C@]1(O)C2 95912215 DFSWPBVFNRYKAI-ZVDOUQERSA-N 332.484 3.836 0 1 EHAF biogenic,in-vitro C[C@H]1CCCc2c1nc1nc(=O)[nH]c(N)c1c2-c1ccc(Cl)cc1 96906375 PBGKHYLSOWRTLS-VIFPVBQESA-N 340.814 3.661 0 1 EHAF Cc1nc(C(=O)NC23C[C@H]4CC2C[C@@H](C4)C3)c(C)n1-c1ccccc1 101393830 GGUIFPPTHFTTLY-UJZKCHAJSA-N 335.451 3.798 0 1 EHAF C[C@@]1(C(=O)O)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]2(C)O1 238765696 AFCHCPCDNUGZTB-SDAKGLNRSA-N 338.444 3.706 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 299872507 GZENKSODFLBBHQ-IQQYANFUSA-N 344.495 3.940 0 1 EHAF FC(F)C(F)(F)c1nc2c(Br)cnc(Cl)c2[nH]1 587089823 ZDTWHJXLLMNFQR-UHFFFAOYSA-N 332.482 3.731 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COc3ccc(Cl)cc3C1)O2 587379230 GMKFACGNVLJWLY-SFHVURJKSA-N 329.783 3.570 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(O)c1N)CC2=O 587468913 FFUDQGLIHFVZPE-LJQANCHMSA-N 327.380 3.513 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2nc[nH]c21 587488048 XNZREZLTFCYYCU-FQEVSTJZSA-N 340.423 3.901 0 1 EHAF COc1cccc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587513294 BZHUEXNVAWNAQX-OAQYLSRUSA-N 337.419 3.936 0 1 EHAF COc1cc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccn1 587513700 FAZMPDWIYGECTJ-MRXNPFEDSA-N 337.419 3.936 0 1 EHAF COC(=O)C[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587528058 YXGTVOVIVWOSLO-VBKZILBWSA-N 328.408 3.633 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccs2)N1 587854594 RBUXBYGDDSUYRO-MADCSZMMSA-N 327.222 3.668 0 1 EHAF COc1ccc2c(c1)C[C@@H](c1nc3cc(C(=O)O)c(F)cc3[nH]1)CC2 587938261 SIRGQSOIHRGZBO-NSHDSACASA-N 340.354 3.681 0 1 EHAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587952545 SXNAFBSCWJUCDR-IFIJOSMWSA-N 340.431 3.585 0 1 EHAF COc1ccc([C@H](C(=O)NC2CCCC2)N2C[C@H](C)C[C@@H](C)C2)cc1 621436823 PAQXPCNSQCVWRB-JXXFODFXSA-N 344.499 3.773 0 1 EHAF CCCn1c(C)cc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c1C 963028464 PDIUEKOAWNBNJG-QVKFZJNVSA-N 337.467 3.658 0 1 EHAF CN1CCc2c(Br)cccc2[C@H]1c1ccccc1C(=O)O 963279257 FJCOITFAVVSABX-INIZCTEOSA-N 346.224 3.725 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)C(C)(C)Br 963642514 YRFOJSDFNAGYTL-MGPLVRAMSA-N 342.277 3.627 0 1 EHAF Clc1ccc2c(N3CCN(Cc4ccc[nH]4)CC3)ccnc2c1 1204010293 NGXRVOHMJTWPLH-UHFFFAOYSA-N 326.831 3.539 0 1 EHAF O=NC=C1C=CN(CCN=c2c3c([nH]c4ccccc24)CCCC3)C=C1 1857552335 GXXGVDYVZOFGEG-UHFFFAOYSA-N 346.434 3.941 0 1 EHAF CC(C)Sc1nnc(CCCO)n1-c1ccc(Cl)cc1Cl 1857574203 RSAWPQBFFJOMQC-UHFFFAOYSA-N 346.283 4.000 0 1 EHAF O[C@]1(c2ccc(/C=C/c3ccccc3)cc2)CN2CCCC[C@@H]2CO1 1857745577 GUDNLQXNRRGELR-CXNSYNGHSA-N 335.447 3.887 0 1 EHAF CC(C)[C@@H]1C(=O)c2ccc3c(c2[C@@H]1c1ccc2c(c1)OCO2)OCO3 2356514446 GCJXJQNXJFAOGG-DLBZAZTESA-N 338.359 3.744 0 1 EHAF Cc1ccccc1N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 2907975 ZYOMAYKYHBBZOY-RBUKOAKNSA-N 344.480 3.697 0 1 EHAF COC(=O)C/C=C/[C@@H](C)[C@@H](OC)c1ccccc1Br 7992085 WPCOPGOEBYZGMO-QGGFIBCDSA-N 327.218 3.892 0 1 EHAF CC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 13354347 GWBOIJCRVSAUMR-DWHPWSNTSA-N 333.516 3.532 0 1 EHAF CCN1CC=C(c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 13782810 NYNKCIGJEUJVIL-NRFANRHFSA-N 335.447 3.808 0 1 EHAF CSc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)NC2=O)cc1 14946033 OGZGOMXAESDRGG-UHFFFAOYSA-N 344.823 3.542 0 1 EHAF Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NC[C@H]1CCCCN21 28097178 FGRRLJHQOHDCFS-OAHLLOKOSA-N 328.847 3.592 0 1 EHAF Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)[C@H](C)CNC4=O)cc1 28902106 MEILYTFCNYTEMN-GFCCVEGCSA-N 333.391 3.576 0 1 EHAF COc1ccc(CC(=O)Nc2ccsc2-c2c[nH]c(C)n2)cc1 64573429 LFLTYJDEZSLZGL-UHFFFAOYSA-N 327.409 3.636 0 1 EHAF N[C@@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)O 72180040 LVBSWFLDVHDKNE-IBGZPJMESA-N 339.366 3.512 0 1 EHAF CCCCCNc1ncnc2c1nc(-c1ccccc1)n2CCOC 82186118 AFJLYZMTKCORDA-UHFFFAOYSA-N 339.443 3.742 0 1 EHAF Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c(F)c1 145183634 BMODYWDWHTWCPV-UHFFFAOYSA-N 341.390 3.677 0 1 EHAF O=N[C@H](CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 169719686 CGDVKEVRIPZJMP-GOSISDBHSA-N 342.418 3.631 0 1 EHAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)[C@@](C)(CO)CC[C@@H]1O 584879839 DGCPGJKPROZYMN-RGKDZJHZSA-N 332.440 3.546 0 1 EHAF in-vitro Fc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1F 587076890 YXTOAZHABSBDES-UHFFFAOYSA-N 331.713 3.742 0 1 EHAF COC(=O)c1cc2[nH]c(-c3cc(F)c(C)c(F)c3)nc2cc1OC 587133452 XLSVHFXFJOOHID-UHFFFAOYSA-N 332.306 3.612 0 1 EHAF CC(=O)N[C@@H](Cc1nc2ccc(F)c(C)c2[nH]1)c1ccc(C)cc1 587207412 SUKIBTDFINAAQK-KRWDZBQOSA-N 325.387 3.739 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccccc3)c1C)O2 587392894 WWAGXIWNGRDADT-OAQYLSRUSA-N 347.418 3.952 0 1 EHAF C[C@H]1CCC[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587822833 MPVRPISOHVYUJV-IEVXNVSRSA-N 340.236 3.707 0 1 EHAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587929884 ATHXOKCHVABRSF-SPLOXXLWSA-N 347.418 3.901 0 1 EHAF CC[C@@H](C)c1nc2c(Br)cnc(Br)c2[nH]1 587956815 WZLAMSKGZFFDMV-RXMQYKEDSA-N 333.027 3.996 0 1 EHAF Cc1nccn1C[C@]1(C)NC2(CC2)Cc2ccc(Br)cc21 961614904 NZZZLNFRDLDYET-INIZCTEOSA-N 346.272 3.548 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCCN3CCCC[C@H]31)N(C(C)C)CC2 962086841 DGSNXFFTVBMEEF-LEWJYISDSA-N 328.500 3.805 0 1 EHAF NC(=O)N1CCc2sccc2[C@]1(c1cccnc1)C1CCCC1 962708015 JJSQFRBZOXPRHQ-GOSISDBHSA-N 327.453 3.514 0 1 EHAF Fc1ccc2[nH]nc([C@@H]3c4c(F)cccc4C[C@@H]4CCCN43)c2c1 963115637 VWLWXDHGGSOEAF-DJJJIMSYSA-N 325.362 3.951 0 1 EHAF CCCCCCc1nc2nc(-c3ccc(Cl)cc3)cc(=O)n2[nH]1 1857542945 KMFLBMIWAPYCHY-UHFFFAOYSA-N 330.819 3.861 0 1 EHAF C[C@H]1C[C@@H](C)[C@H]([C@H](C)C=CC(=O)O)O[C@@H]1CC(=O)c1ccc(N)cc1 2356614989 RHBKNRVHUONUJZ-AEJVEICRSA-N 345.439 3.548 0 1 EHAF O[C@@H](c1cc(C(F)(F)F)nc2c(F)cccc12)[C@H]1CCCCN1 1606161 QZXXLTVOSXDWNR-DOMZBBRYSA-N 328.309 3.568 0 1 EHAF Nc1ncnc2[nH]c(Sc3cc(C(F)(F)F)ccc3Cl)nc12 13642814 PWFXJXJBXGXQCC-UHFFFAOYSA-N 345.737 3.759 0 1 EHAF COc1ccc2c(c1)c1c(n2C)CCCC[C@@H]1CNC(=O)C1CCC1 13777928 WNVVZZPYUDKRJW-OAHLLOKOSA-N 340.467 3.913 0 1 EHAF COc1ccc2c3c1O[C@H]1CCC[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 26717096 LSLFSIZNUVIKEE-KALAIVBUSA-N 325.452 3.535 0 1 EHAF O=C(NCc1c(F)cccc1Cl)c1snnc1C1CCC1 28956825 HCJREEJFQZAZKX-UHFFFAOYSA-N 325.796 3.528 0 1 EHAF NCCOc1c(Cl)cc(C(=O)Nc2ccccc2)cc1Cl 28966919 NLVTWSGESARIIQ-UHFFFAOYSA-N 325.195 3.583 0 1 EHAF O=C1Nc2ccc(Br)cc2[C@]12C[C@@H]2COc1ccccc1 34817239 PDEPHVGNADLLMU-PIGZYNQJSA-N 344.208 3.738 0 1 EHAF O=C(O)CCCCCCCNC(=O)c1cc2ccccc2cc1O 39092248 CQCXPRYYLFKYHJ-UHFFFAOYSA-N 329.396 3.700 0 1 EHAF CN1C[C@](O)(c2ccc(-c3ccc(F)cc3)cc2)O[C@H]2CCCC[C@@H]21 40429326 ACXMYGZDRUPYQF-PCCBWWKXSA-N 341.426 3.911 0 1 EHAF CCCN1COC[C@@H](Oc2ccccc2)[C@H]1c1cccc(OC)c1 40956709 CGOPHZJAGLSBDN-WOJBJXKFSA-N 327.424 3.884 0 1 EHAF O=C1C[C@H](C2CCN(CCc3ccccc3)CC2)Oc2ccccc21 45259181 DPYSIQOGDICBEW-JOCHJYFZSA-N 335.447 3.975 0 1 EHAF Clc1ccc(-n2nnc(-c3cc4ccccc4nc3Cl)n2)cn1 64658234 LWCSOPZVUMWHDD-UHFFFAOYSA-N 343.177 3.579 0 1 EHAF ClCc1nc(C2=Cc3cc(Br)ccc3OC2)no1 102918691 CEDRVEZWWKCVAH-UHFFFAOYSA-N 327.565 3.504 0 1 EHAF O=C(NCc1cccnc1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 147530413 LKPAFLZEIAFLTG-UHFFFAOYSA-N 346.365 3.694 0 1 EHAF Cc1c(/C=C/CNC(=O)OC(C)(C)C)c(O)c2c(O)cccc2c1O 169716758 QAXBKMSMJUWURC-SOFGYWHQSA-N 345.395 3.803 0 1 EHAF CC(C)[C@@H]1NC(=O)C[C@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1 254075982 HDJDSSXXUGJKNN-HOJAQTOUSA-N 337.423 3.997 0 1 EHAF C[C@@H](SCc1ccccc1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586962030 NSNIVSGHPFJBNK-GFCCVEGCSA-N 346.477 3.961 0 1 EHAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 587027883 IOWSSARRJXSTOM-OAHLLOKOSA-N 338.396 3.714 0 1 EHAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccccc2[nH]1 587042844 NIFLJKOWPSJHCJ-AWEZNQCLSA-N 329.812 3.872 0 1 EHAF Fc1c(F)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c(F)c(F)c1S 587134596 NRURDAKNJPGRQW-UHFFFAOYSA-N 338.289 3.951 0 1 EHAF Cc1cc(Br)c(-c2nc3c(Cl)ncnc3[nH]2)cc1F 587137943 TTXSIANBIXYKRA-UHFFFAOYSA-N 341.571 3.883 0 1 EHAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1 587242140 NNXFIVYELIHSGX-UHFFFAOYSA-N 349.438 3.889 0 1 EHAF COC[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344962 DIRWMXGHESFBRQ-UYAOXDASSA-N 344.382 3.931 0 1 EHAF CCOCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587398711 GYPQUAXDISTZOD-IBGZPJMESA-N 341.407 3.829 0 1 EHAF COc1cc2c3c(c1)O[C@@H]([C@@](C)(Cl)c1ccccc1)[C@@H](C2)C3=O 587416776 FDTAIROTSWNBQB-KYNGSXCRSA-N 328.795 3.965 0 1 EHAF COc1cc2c3c(c1)O[C@@]1([C@@H](N=O)[C@@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O 587427127 CASCLXGKBZMYKU-OERWWNBKSA-N 341.407 3.773 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cccc(C)c1)[C@@H](C2)C3=O 587442449 WXWRCRDMAOVZKM-BTYIYWSLSA-N 346.386 3.882 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(C)cc1OC)[C@@H](C2)C3=O 587442705 KSIPUXPIWLDOSJ-VBKZILBWSA-N 340.375 3.510 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](CCn1nc(C)cc1C)CC2=O 587474730 HGFCCLFUEFPDIG-CQSZACIVSA-N 328.412 3.582 0 1 EHAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 587585217 CSNCQXALJAMANU-QFBILLFUSA-N 337.331 3.566 0 1 EHAF C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589580 VSGFECRJWBLPRI-YLJYHZDGSA-N 333.343 3.664 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccncc2)N1 587776451 CUPHMRYPPXRRFD-PIGZYNQJSA-N 349.247 3.975 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCOCC2)N1 587833079 FJIXOKCYTDXYKV-RFAUZJTJSA-N 328.225 3.590 0 1 EHAF C[C@]1([C@@H]2CC[C@H](N)C2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962693328 BMQJSSAJTGJAMC-GJRWTSMGSA-N 334.504 3.532 0 1 EHAF CCCNC(=O)NC[C@@]1(C)CCc2ccc3ccc(OC)cc3c21 1857653411 DYWVNNDLZNHEAD-HXUWFJFHSA-N 326.440 3.762 0 1 EHAF Cc1cc(=O)c(O)c([C@@H](O)c2ccc(CCc3ccccc3)cc2)o1 1857766551 MMIMPWFVGBPIRF-IBGZPJMESA-N 336.387 3.521 0 1 EHAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@H](c2ccccc2O)O3)O1 13380053 CTXOXNJBBDQWCE-OAHLLOKOSA-N 338.359 3.989 0 1 EHAF biogenic COC(=O)c1cc(O)c2[nH]c3ccccc3c2c1/C=C/C(C)(C)O 13398956 ULOFABCZPKMTRN-CMDGGOBGSA-N 325.364 3.597 0 1 EHAF CCCCC[C@H](O)C1=C[C@H]2c3c(ccc(O)c3CO)C[C@H]2C(C)(C)O1 14856999 QVNSKPMXIWUANR-KYJSFNMBSA-N 346.467 3.774 0 1 EHAF biogenic C[n+]1cccc(C(=O)OCCCCCCn2ccc3ccccc32)c1 27090945 FQDDSQMJMCXQRK-UHFFFAOYSA-N 337.443 3.883 0 1 EHAF Cc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCOCC3)n2)cc1 28530706 LAQIQVLZRQKHEO-UHFFFAOYSA-N 347.418 3.661 0 1 EHAF CCC[C@H]1CC(=O)C[C@]23CCN(C)[C@H](Cc4ccc(OC)cc42)[C@H]13 34347854 JMRCYEFEEQSEKU-PSMQTCRGSA-N 327.468 3.589 0 1 EHAF CCN1c2ccccc2N=C(N2CCN(C)CC2)c2cscc21 39241379 WJCAFUCBXGFTIC-UHFFFAOYSA-N 326.469 3.545 0 1 EHAF CC[C@H](C)c1nc2nc(N(CC)C3CCCCC3)ccc2[nH]c1=O 82231784 CTPPFIFSOQUXAW-ZDUSSCGKSA-N 328.460 3.991 0 1 EHAF c1ccc(CN2CC[C@@H]3C[C@@H]2c2c3cccc2N2CCOCC2)cc1 103053410 IXLJECFNTNRRME-WIYYLYMNSA-N 334.463 3.958 0 1 EHAF COc1cc([C@@H]2C[C@@]3(C)O[C@H]4C(C)=CC[C@@H]3[C@H]4O2)cc(OC)c1OC 103159040 VMBRUTOBROYXFU-ZGIXDULVSA-N 346.423 3.666 0 1 EHAF CCCN(C)C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144795652 QBOMGRUAEGQAOP-GOSISDBHSA-N 349.352 3.947 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H]4[C@@H](C[C@H]12)[C@@]4(C(=O)O)C3 197922087 KWHAEXKTUBKWAW-CRJUXSSKSA-N 346.467 3.883 0 1 EHAF CC1=CC[C@H](O)[C@]2(C)O[C@H]2CCC(C)=C[C@@H]2OC(=O)C(C)=C2CC1 299808535 PLXYTNVUDOBBTD-JPLJXNOCSA-N 332.440 3.603 0 1 EHAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1 586882567 YCCFWRZDDDIXOJ-UHFFFAOYSA-N 345.761 3.679 0 1 EHAF Clc1ncnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 587006636 PFYNJSMLFBBSSG-UHFFFAOYSA-N 348.591 3.689 0 1 EHAF Cc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Br 587040451 MKHMTZWQTFMTEC-UHFFFAOYSA-N 347.241 3.934 0 1 EHAF C[C@H](c1nc2ccc(F)c(Br)c2[nH]1)n1cc(Cl)cn1 587080751 YHLGRGYAGUCZPD-ZCFIWIBFSA-N 343.587 3.924 0 1 EHAF Cc1cncc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082760 VAURHVSPYPNQAJ-UHFFFAOYSA-N 339.786 3.820 0 1 EHAF Fc1cc(Br)c(Cl)cc1-c1nc2ncc[nH]c-2n1 587137570 BMWSYZOHIUTPTD-UHFFFAOYSA-N 327.544 3.527 0 1 EHAF Cc1cnc2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2c1 587148751 LJFBBXYOAYZSDD-UHFFFAOYSA-N 325.322 3.612 0 1 EHAF CC(C)[C@H](N)c1nc2cc(Br)c(Br)cc2[nH]1 587258971 OFQKGGDQMBPMRL-JTQLQIEISA-N 347.054 3.744 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(CNC(=O)OC(C)(C)C)CC2=O 587471054 QERGFPJLWUDZGX-LJQANCHMSA-N 349.427 3.593 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CCC)([C@@H](C)C(=O)OC)CC2=O 587478409 JODBQQLBTBVWAA-HXPMCKFVSA-N 334.412 3.658 0 1 EHAF CC(C)COc1cccc(OCc2nc3cnc(Cl)[nH]c-3n2)c1 587566139 XIDIWVPXUWRRFP-UHFFFAOYSA-N 332.791 3.572 0 1 EHAF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(F)ccc12 587632880 LXVCHWGTZZHZTP-UHFFFAOYSA-N 331.730 3.983 0 1 EHAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccccc1Cl 587648785 HNLROZRSPIZQDN-UHFFFAOYSA-N 347.823 3.764 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2F)N1 587737185 YRYDZZJRRZAWOD-AYVTZFPOSA-N 339.183 3.746 0 1 EHAF Cc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587773321 QLDRYVVHOVBMHX-QLJPJBMISA-N 335.220 3.915 0 1 EHAF COc1ccc(C=O)c(-c2nc3cc(F)c(Cl)cc3[nH]2)c1OC 587786098 HMWSRCOXTZNPJX-UHFFFAOYSA-N 334.734 3.852 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCSC2)N1 587854568 CWYIVELBTYXNAX-YACGNSKGSA-N 330.266 3.917 0 1 EHAF O[C@@H]1CCC[C@]2(C1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962629122 IUWGGRFWVAOZPL-XJUOHMSHSA-N 348.490 3.564 0 1 EHAF COc1ccc(NC(=O)[C@H](N)Cc2ccc(Cl)cc2Cl)cc1 1911573469 FCCANNQWIXBXAD-OAHLLOKOSA-N 339.222 3.511 0 1 EHAF COC(=O)CCC(=O)c1ccc2c(c1)CC1(Cc3ccccc3C1)C2 1855625 YBVFROAFJDNDDP-UHFFFAOYSA-N 334.415 3.706 0 1 EHAF O=C(O[C@H]1CN2CCC1CC2)C(F)(c1ccccc1)c1ccccc1 2017820 JYTMGTTUIXPUMR-IBGZPJMESA-N 339.410 3.537 0 1 EHAF Oc1cn(-c2ccc(Cl)cc2)nc1-c1nnc(-c2ccccc2)o1 3595309 PFEPZIMNLUUCBV-UHFFFAOYSA-N 338.754 3.948 0 1 EHAF CC(=O)Nc1ccc(/C=C/c2ccc3ccc(C(=O)O)c(O)c3n2)cc1 5833190 ICNAZHXCHRZCEK-RUDMXATFSA-N 348.358 3.767 0 1 EHAF CCNC(=O)CO[C@@H]1CC(c2ccccc2)=Nc2cccc(CC)c21 26666534 FAQVSTCNASPAKL-LJQANCHMSA-N 336.435 3.967 0 1 EHAF CCC(=O)NCCc1cn(C)c2c(-c3ccccc3)cc(OC)cc12 28815187 VHQWCBJKDZMMTD-UHFFFAOYSA-N 336.435 3.923 0 1 EHAF O=C(O)c1ccn(Cc2cc(Cl)ccc2OCc2ccccc2)n1 29128874 SGTBPWLVFMBQNR-UHFFFAOYSA-N 342.782 3.862 0 1 EHAF CC(=O)N[C@@H]1[C@@H]2C=C(C)C[C@H]1c1c(nc3cc(Cl)ccc3c1N)C2 36287152 SRBWAIWJMGLCDO-CILWKZBWSA-N 341.842 3.581 0 1 EHAF O=C1N(CCN2[C@H]3CCC[C@@H]2CC3)CCN1c1cccc(Cl)c1 43061557 VXTVAYBBRGJBTM-IYBDPMFKSA-N 333.863 3.599 0 1 EHAF c1ccc(COc2ccccc2-c2ccc(N3CCOCC3)nn2)cc1 45392281 YULLQQIZDNODNZ-UHFFFAOYSA-N 347.418 3.559 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(-c3cccn3C)cc1)O2 84603324 YOFKXSATJFBEHG-NEPXVJNWSA-N 325.408 3.516 0 1 EHAF COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@H]2C)[C@@H]2CCCO[C@@H]21 195294768 KAIRBWGUKDEUFM-GKIYZVMKSA-N 346.398 3.515 0 1 EHAF COc1c(CC=C(C)C)cc(/C=C/C(=O)O)cc1C/C=C(/C)CO 238730962 SIYBAYTVYPDHAB-RIIBEOAISA-N 330.424 3.783 0 1 EHAF C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C(=O)O 238757620 SFPQRJXDXQUVHX-KBYWYFGISA-N 346.423 3.682 0 1 EHAF O=C(O)CCn1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21 473113683 KAPUGOVSEOOEIO-UHFFFAOYSA-N 332.359 3.625 0 1 EHAF Oc1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586995733 NJAMGENZQWPXQE-UHFFFAOYSA-N 332.201 3.686 0 1 EHAF Clc1ncc2nc(-c3ccccc3OCc3cscn3)nc-2[nH]1 587029710 SVLQCDLPZOJZAG-UHFFFAOYSA-N 343.799 3.660 0 1 EHAF Cc1cc(Br)cc2nc(Cc3csc4nccn34)[nH]c12 587039184 ATPCYJSSTMUQBF-UHFFFAOYSA-N 347.241 3.934 0 1 EHAF FC(F)(F)c1cncc(-c2nc3ccnc(Br)c3[nH]2)c1 587115383 MGIKKDNIQAQWTR-UHFFFAOYSA-N 343.106 3.801 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)OC)co1)CC2=O 587480873 LIOVVSPIKCYPGU-IBGZPJMESA-N 344.363 3.605 0 1 EHAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(C)(C)NC(C)(C)C1 587482891 KHZYJRBHPCQVKW-UHFFFAOYSA-N 331.456 3.989 0 1 EHAF CCOC(=O)C1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587524444 ONKCPOABOHRPKK-LJQANCHMSA-N 328.408 3.633 0 1 EHAF O=C1C[C@@]2(CCCc3nc(O)ccc32)Oc2c1ccc1c2CCCC1 587528310 WPPQEWSQBURKFC-OAQYLSRUSA-N 335.403 3.863 0 1 EHAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)no1 587794577 NGWMHKATPNLOCE-ANRSDYALSA-N 339.208 3.682 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCC2=O)N1 587822683 LXNLSIKPTGECTQ-ZYSBLVPFSA-N 340.236 3.707 0 1 EHAF CC1(C)CN2c3cc(Br)cc(c31)C21CC(n2cccn2)C1 963083404 PAMHIIUHYMPPEC-UHFFFAOYSA-N 344.256 3.987 0 1 EHAF O=C1CN(Cc2ccccc2)C(=S)N1c1ccc(F)c(Cl)c1 1857639223 GLILYHLTXBGHIU-UHFFFAOYSA-N 334.803 3.613 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@H](O)[C@]12C 2356569759 RHWFWNVZBUNMDN-CKFGLLJZSA-N 332.396 3.502 0 1 EHAF CC(=O)OC[C@@H]1c2ccccc2[C@@H]2CCC[C@@](C)(COC(C)=O)[C@H]12 2356699638 CRJPIQLOYYZXCG-YRPNKDGESA-N 330.424 3.800 0 1 EHAF CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4081338 NVDZDOGGAQQFMS-RDJZCZTQSA-N 328.799 3.520 0 1 EHAF c1cc2c(cc1[C@H]1c3cocc3Cc3cc4c(cc31)OCO4)OCO2 26181514 OBAWZPXBYWENEA-HXUWFJFHSA-N 334.327 3.821 0 1 EHAF O=C(O)c1cn(C/C=C/c2ccccc2F)c2c(F)cccc2c1=O 71341845 NWBGDSGHWJURGI-GQCTYLIASA-N 341.313 3.691 0 1 EHAF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1OC(=O)c1ccco1 103205552 NZSSWUSAYRVNGH-ACWOFJMJSA-N 342.347 3.813 0 1 EHAF O=C(Nc1ccc(CC[C@H]2CCCNC2)cc1)c1ncc(F)cc1F 117714899 UGXNRQIVFRBHEO-CQSZACIVSA-N 345.393 3.544 0 1 EHAF C[C@@H]1CCN1C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144705557 FIERJLCQXGOLMV-ZMZPIMSZSA-N 347.336 3.700 0 1 EHAF O=C(O)CCC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 299840591 VMLRYTSSDFQWRN-QMMMGPOBSA-N 347.592 3.691 0 1 EHAF COc1ccc(C=O)c2cc(-c3nc4cc5[nH]ncc5cc4[nH]3)oc12 586903215 GYDVFYXFSFYBBL-UHFFFAOYSA-N 332.319 3.674 0 1 EHAF NC(=O)c1cccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033516 WKNHMYYMASECGG-UHFFFAOYSA-N 348.431 3.670 0 1 EHAF COc1c(F)ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1N 587133551 RUFSAJLEAOXCBQ-UHFFFAOYSA-N 327.146 3.662 0 1 EHAF Cc1cc2nc(-c3cc(CO)ccc3F)[nH]c2cc1Br 587140867 TVRUTMXUFJTAMT-UHFFFAOYSA-N 335.176 3.932 0 1 EHAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nccc(Cl)c2[nH]1 587147550 PQLODDCQYPEBPE-UHFFFAOYSA-N 345.740 3.957 0 1 EHAF CC(C)(C)OC(=O)N1C[C@H]2Cc3c(nc4cccc5c4c3CC5)[C@H]2C1 587213062 SSPZOYMOYZGDAD-CJNGLKHVSA-N 336.435 3.840 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc(Cl)ccc31)O2 587380233 RARLLJREYRLEFX-GOSISDBHSA-N 329.783 3.874 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](c3ncccc3O)C1)O2 587393939 OKBZTEJNLVMUFI-RNODOKPDSA-N 338.407 3.740 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(C)(C)O)cc1)O2 587404469 QRRRAJSYMZNCMZ-FQEVSTJZSA-N 325.408 3.685 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CSc1nc(C)cc(C)n1)O2 587408444 GMMXCSSWZHWZKD-GOSISDBHSA-N 343.452 3.500 0 1 EHAF COc1cc2c3c(c1)O[C@@](CSC)(c1ccccc1)[C@@H](C2)C3=O 587449481 OXFWHIAJQMFWSQ-KXBFYZLASA-N 326.417 3.701 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccn(CC(F)F)n1)CC2=O 587466857 PHQIICZHFSXBTL-OAHLLOKOSA-N 336.338 3.513 0 1 EHAF COc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2CC(=O)O)ccn1 587631930 MQMZDTTWWXKNBZ-UHFFFAOYSA-N 334.734 3.658 0 1 EHAF COC(=O)c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1OC 587960613 MTAFBQVJFFCVNY-ZFWWWQNUSA-N 336.391 3.704 0 1 EHAF COc1cccc([C@]2(c3ccccc3F)NCCc3c(C)ccnc32)c1 963077029 VDTXFJLCWSLBEU-JOCHJYFZSA-N 348.421 3.975 0 1 EHAF O=C(OCc1ccccc1)N(c1ccccc1)[C@@H]1CN2CCC1CC2 1857543732 QZTQQKQHRWQZMZ-HXUWFJFHSA-N 336.435 3.924 0 1 EHAF CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)[C@H]1CCCCN1 1911575037 UXGZNCGRYLLVEF-QGZVFWFLSA-N 347.455 3.524 0 1 EHAF CC(C)[C@H]1C(=O)c2ccc3c(c2[C@H]1c1ccc2c(c1)OCO2)OCO3 2356514451 GCJXJQNXJFAOGG-SJORKVTESA-N 338.359 3.744 0 1 EHAF CC(C)c1cc(C(=O)O)c([C@]2(C)CCC[C@@]3(C)COC(=O)[C@H]32)cc1O 2356676651 XEYFSNHIPLMFRB-UXPWSPDFSA-N 346.423 3.835 0 1 EHAF CC(C)c1cc(C(=O)O)c([C@]2(C)CCC[C@@]3(C)COC(=O)[C@@H]32)cc1O 2356676652 XEYFSNHIPLMFRB-VDGAXYAQSA-N 346.423 3.835 0 1 EHAF C[C@@H](COc1ccccc1)N1CCC(CO)(Cc2ccccc2)CC1 12836818 UEZZARYJQUJBOY-IBGZPJMESA-N 339.479 3.771 0 3 EHAF CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 1008871 QUQLXOURWWEGIZ-IBGZPJMESA-N 338.407 3.792 0 1 EHAF CC(=O)[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3C(=O)C[C@H]2C1 3849704 UIFJZNWZINQBNK-AZIZZXSDSA-N 330.468 3.982 0 1 EHAF biogenic CC1=CS[C@@](OC(C)C)(c2ccc(Cl)cc2)c2noc(=O)n21 13641980 DUFHKUKEUVTTSQ-HNNXBMFYSA-N 338.816 3.681 0 1 EHAF O=C(O)c1c[nH]c2ccc(Cc3cccc(Cl)c3F)cc2c1=O 13682465 NNCDBLPXXVWRGR-UHFFFAOYSA-N 331.730 3.610 0 1 EHAF CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3ccco3)ccc2O1 13795374 HJXSYEYXNTZXCL-UHFFFAOYSA-N 347.370 3.733 0 1 EHAF O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCC1)CC2 27901739 AHAGYUFSJZMVFM-UHFFFAOYSA-N 341.499 3.528 0 1 EHAF CCOC(=O)c1cc(-c2cc(C)ccn2)nc(-c2cc(C)ccn2)c1 35654091 RMOGPFKEKBKKJO-UHFFFAOYSA-N 333.391 3.999 0 1 EHAF Fc1ccccc1-c1nnc2sc(COc3ccccc3)nn12 40428758 BEWVEWXXUGSCAM-UHFFFAOYSA-N 326.356 3.571 0 1 EHAF CN1CCC[C@H](COC(=O)C(C)(c2ccccc2)c2ccccc2)C1 42892216 HWEZEZWOUZGQNP-SFHVURJKSA-N 337.463 3.878 0 1 EHAF CCCCOc1ccc2nc(-c3ccc(OCCOC)cc3)cn2n1 72175426 CHOVONBFXKIZTA-UHFFFAOYSA-N 341.411 3.600 0 1 EHAF CCN(C)C(=O)c1cnc(NC2CCCC2)nc1-c1cccc(C)c1 82147349 WXMHVWDWBOXFSV-UHFFFAOYSA-N 338.455 3.898 0 1 EHAF COCOc1cccc2oc(-c3cn4nc(SC)sc4n3)cc12 205918245 UJJATGVFNSOFMX-UHFFFAOYSA-N 347.421 3.909 0 1 EHAF O=C1O/C(=C/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc21 586905733 ABFRYMOBTCMEDV-LICLKQGHSA-N 346.321 3.556 0 1 EHAF COC(=O)c1ccc2nc(CSc3ccc(C)cc3C)[nH]c2n1 586965141 RKVJKNPOXXCNLB-UHFFFAOYSA-N 327.409 3.654 0 1 EHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cnc2[nH]1 587114396 SVRRXFLIMRKQFD-NSHDSACASA-N 340.736 3.873 0 1 EHAF Cc1cc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1F 587176022 ZIVIDAOMKYUSIQ-AWEZNQCLSA-N 326.350 3.873 0 1 EHAF N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCO3)c1cccc2ccccc12 587258547 NAWCSVSMKVZCIW-HNNXBMFYSA-N 331.375 3.687 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCNc4cc(Cl)ccc41)[C@@H](C2)C3=O 587420262 IACAAZRDXVCBBH-LIRRHRJNSA-N 341.794 3.807 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC)(c1cn(C)nc1C)CC2=O 587477820 VHRTXQXAHQOVKQ-IBGZPJMESA-N 328.412 3.657 0 1 EHAF CCOC(=O)c1cc[nH]c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524804 KJDRNBBCPMFOAO-KRWDZBQOSA-N 339.391 3.777 0 1 EHAF Oc1nc(O)c2ccc(-c3ccc4c(c3)[nH]c3ccccc34)nc2n1 587553608 CRTFNWZLTQJLBJ-UHFFFAOYSA-N 328.331 3.738 0 1 EHAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 587799457 ZKVPQILOFCAHDK-AYVTZFPOSA-N 339.208 3.682 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2)N1 587831793 IHCIQPCGQSTWKU-ABKXIKBNSA-N 336.204 3.917 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C)CCOCC2)N1 587834954 NLMAJJOFVJRGOQ-BONVTDFDSA-N 342.252 3.980 0 1 EHAF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1cccc(Cl)c1Cl 621475496 MRFYRBWSXDMMCV-ZGSOTFDTSA-N 331.224 3.800 0 1 EHAF CC[C@H]1CCCCN1C(=O)C[C@@]1(C)NCCc2c1sc(C)c2C 963035113 YZVJIAMPKYSETM-HNAYVOBHSA-N 334.529 3.907 0 1 EHAF CCCC[C@]1(CCC(=O)O)NCCc2cc3cccc(OC)c3nc21 963043750 AESKPGFJJQMYKM-HXUWFJFHSA-N 342.439 3.639 0 1 EHAF O=C(O)c1cccc2c1CCN[C@]21CCCc2[nH]c3ccccc3c21 963136098 XZEZLVGRCWJWGD-OAQYLSRUSA-N 332.403 3.592 0 1 EHAF Clc1ccc(Cn2cnc(-c3cc4[nH]nnc4cn3)c2)cc1Cl 1857648056 JHUVNOIUTLYUSM-UHFFFAOYSA-N 345.193 3.572 0 1 EHAF CCOC(=O)c1ccc(OC/C(C)=C/CC/C(C)=C/CO)cc1O 1857753815 HPGMIOLAFACUMI-SADFVUDUSA-N 334.412 3.613 0 1 EHAF CO[C@@H]1CC(=O)[C@H]2[C@]1(O)[C@]1(C)CC[C@@]23CC[C@@H]2CCCC[C@@H]2[C@]31C 2356729285 UOMOARKIWGVFQS-HZYXLMICSA-N 332.484 3.728 0 1 EHAF CC1(C)C=Cc2c(ccc3c2O[C@H](O)[C@@H]2c4ccc(O)cc4O[C@H]32)O1 13431325 YTPKRSILLIAZAA-QRQLOZEOSA-N 338.359 3.505 0 1 EHAF biogenic O[C@]1(c2ccc(Cl)cc2)c2ccc3ccccc3c2C2=NCCN21 13491118 GYTGCOARTYXPAX-HXUWFJFHSA-N 334.806 3.762 0 1 EHAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@@H]2C(=O)N1Cc1ccccc1 13771780 XOSPGPNKDYEJGU-HNJRGHQBSA-N 333.431 3.864 0 1 EHAF C[C@H]1CN(Cc2c(-c3cccs3)[nH]c3ncccc23)C[C@@H](C)O1 19497547 NIBBOEBCXIUYSV-BETUJISGSA-N 327.453 3.901 0 1 EHAF CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 22937739 BOFPIRRSGDHUCZ-QUCCMNQESA-N 328.406 3.789 0 1 EHAF CC1=C2C[C@H]3[C@]4(C)CC[C@@H](O4)[C@]3(C)CC/C=C(\C)C[C@@]2(O)OC1=O 39027958 CBMQMSLEHCTTCY-OZLLWGGBSA-N 332.440 3.642 0 1 EHAF CCOC(=O)Cc1ccccc1OC(=O)Cc1ccc(Cl)cc1 40423584 DEABLPKPPLYQKF-UHFFFAOYSA-N 332.783 3.594 0 1 EHAF CC(=O)Nc1ccc(Nc2ccnc(NCc3cccs3)n2)cc1 64479784 FATUCSMHJGUQJH-UHFFFAOYSA-N 339.424 3.852 0 1 EHAF COc1ccc(-c2coc3cc(OC)c(Cl)cc3c2=O)cc1O 64526668 OYBQRGUKYSUWQH-UHFFFAOYSA-N 332.739 3.836 0 1 EHAF Cc1nc(C(=O)NC23C[C@@H]4CC2C[C@@H](C4)C3)c(C)n1-c1ccccc1 66098367 GGUIFPPTHFTTLY-FAQHILDVSA-N 335.451 3.798 0 1 EHAF C[C@H](N[C@H](C[C@@H](O)c1ccc(Cl)cc1)C(=O)O)c1ccccc1 84615714 XEIVNVLGRBAYEH-JCURWCKSSA-N 333.815 3.568 0 1 EHAF COC(=O)Cn1nc(-c2ccccc2)c2ccc(C(F)(F)F)cc21 95771543 XKGBWIXABLEGDT-UHFFFAOYSA-N 334.297 3.895 0 1 EHAF O=C(Nc1nccs1)[C@H]1C(=O)N2c3ccccc3Oc3cccc1c32 100658539 CVSIFFANCIQNKO-AWEZNQCLSA-N 349.371 3.649 0 1 EHAF Fc1ccc(Cl)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12 226087304 QAEXZANRYTVKAM-UHFFFAOYSA-N 330.794 3.884 0 1 EHAF CC[C@@H]1CN2CCc3c([nH]c4ccccc34)CC[C@@H](C2)[C@@H]1OC(C)=O 238770845 GCQPLKWVHAQSRW-VWKPWSFCSA-N 340.467 3.546 0 1 EHAF Clc1cncc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587002870 HTJWDDAWAVOUJI-UHFFFAOYSA-N 348.591 3.917 0 1 EHAF FC(F)(F)c1cnc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587016151 HJVJNGTYRDAODE-SNVBAGLBSA-N 340.330 3.952 0 1 EHAF Cc1nc(-c2c[nH]cc2-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cs1 587022536 ZYTCIUXFFLWNSB-UHFFFAOYSA-N 336.380 3.572 0 1 EHAF C[C@H](O)c1ncc(-c2nc3ccc(Br)c(F)c3[nH]2)s1 587022599 ROLYQQQLLZGTQV-YFKPBYRVSA-N 342.193 3.641 0 1 EHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Cl)ccnc2[nH]1 587078912 CWLZKACNCPWWOE-GFCCVEGCSA-N 346.221 3.989 0 1 EHAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587401730 XLQJVFMKBKEMKB-VBKZILBWSA-N 345.439 3.671 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cn(C)c4ccc(OC)cc14)[C@@H](C2)C3=O 587430186 FQJNVBVXUAWNTI-YCRPNKLZSA-N 349.386 3.684 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCCN4C)[C@@H](C2)C3=O 587445309 URMGNSQPYAHECR-KKSFZXQISA-N 335.403 3.566 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CC[C@H](C(=O)OC)CC1)CC2=O 587477778 GRZOTHXKRRRKNV-LXIYXOSZSA-N 346.423 3.658 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1sc(O)nc1Cl)CC2=O 587493906 ITWYQNVZUFFDIY-LLVKDONJSA-N 339.800 3.867 0 1 EHAF Cc1scnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615921 AANZHQSHSZMPPU-RDTXWAMCSA-N 339.372 3.860 0 1 EHAF Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587774055 LCVQMTRVWYWSNK-NZFNHWASSA-N 339.208 3.817 0 1 EHAF CC(C)CC(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814267 SWIUSRGYVIRUCJ-QLJPJBMISA-N 342.252 3.953 0 1 EHAF O=C(CNc1ccc(F)cc1F)n1nc2cc1Oc1ccc(F)cc1-2 587873872 KWJSFCXTRXPDQL-UHFFFAOYSA-N 345.280 3.825 0 1 EHAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356410883 DOPNAZPVNCZMLH-QCXIBVAZSA-N 334.500 3.566 0 1 EHAF Cc1ccccc1CN[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205705558 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CCC(=O)[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587811461 GIVHUWFOMQEGRM-PSLIRLAXSA-N 328.225 3.707 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncs2)N1 587852115 DDQVPKNYYIRDDT-WPPNPWJKSA-N 327.222 3.668 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSC 587863107 CPVBEYFJHZNQSE-UHFFFAOYSA-N 330.331 3.581 0 1 EHAF CC[C@H](C)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868207 XLEIZKSWHMRTSR-VIFPVBQESA-N 327.306 3.659 0 1 EHAF Cc1ccc(C)c(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587958754 JFEOJKRZWQMENA-UHFFFAOYSA-N 335.451 3.603 0 1 EHAF N[C@@H](O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1 1772640206 CLAOLCARQLQZER-INIZCTEOSA-N 341.802 3.567 0 1 EHAF COc1ccc(C=CC(=O)OC[C@H]2CCCN3CCCC[C@@H]23)cc1 2356640398 ADEAJUYOXKASHF-MJGOQNOKSA-N 329.440 3.516 0 1 EHAF CC1=C[C@H](CNC2=CC=C[CH]N2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356841634 XCGMDJFNBVUVFK-KZNAEPCWSA-N 341.479 3.527 0 1 EHAF CCNC(=O)[C@@]1(C)CCCN(Cc2ccc(-c3ccccc3)o2)C1 61905771 MCJLDLJJLMOMOS-FQEVSTJZSA-N 326.440 3.685 0 3 EHAF CC1(C)C=C(c2cccc[n+]2[O-])c2cc(Br)ccc2C1=O 18511 GOEXFPDYAVWEFI-UHFFFAOYSA-N 344.208 3.737 0 1 EHAF CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4054158 NAEAQJCWPRNAQC-RDJZCZTQSA-N 346.789 3.659 0 1 EHAF O=C(Nc1cccc(NC(=O)Nc2ccccn2)c1)Nc1ccccn1 13493771 FWDUCEJRQCHTQN-UHFFFAOYSA-N 348.366 3.765 0 1 EHAF COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3)c2)CC1 13744963 UPXJKNQVKALXKP-UHFFFAOYSA-N 347.462 3.808 0 1 EHAF COc1cc(CNC(=O)CCCCCc2ccccc2)ccc1O 26579890 KXHILZDGEJCSNY-UHFFFAOYSA-N 327.424 3.820 0 1 EHAF CCCN1C[C@@H](CNCCc2c[nH]c3ccccc23)Oc2ccccc21 28572031 DILXVXUGQQJSKB-GOSISDBHSA-N 349.478 3.978 0 1 EHAF Cc1ccc(C2=C(CC(=O)O)[C@H](c3cccs3)NC(S)=N2)cc1 29413328 NEMNPPKPFHGNCG-MRXNPFEDSA-N 344.461 3.873 0 1 EHAF Clc1ccccc1N1CCN(CCc2ccc3nc[nH]c3c2)CC1 40951392 ONOAJANVSLKESM-UHFFFAOYSA-N 340.858 3.581 0 1 EHAF CCOCC1=C(c2ccc3c(c2)OCO3)Nc2cccc(OC)c2C1 102017554 SUOFMCYNRXYIEH-UHFFFAOYSA-N 339.391 3.840 0 1 EHAF Cn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O 103177887 GKJHWDAZYKEHPE-UHFFFAOYSA-N 335.190 3.819 0 1 EHAF 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N=c1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c2ccccc2[nH]1 587253426 HZDUTQRGIAVBRA-UHFFFAOYSA-N 330.178 3.892 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)cc(O)n3C)O2 587391654 SXIGJUNHGRPDIU-HXUWFJFHSA-N 336.391 3.655 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1ncc(Cl)cc1F)[C@@H](C2)C3=O 587425579 FGIPNMZBYAYDIA-APPDUMDISA-N 333.746 3.546 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](C1CCN(C(C)C)CC1)CC2=O 587474869 KOPPADPIQXMABR-IBGZPJMESA-N 331.456 3.799 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(C)nc1C)CC2=O 587486868 MVPSAYHBKFMSPL-LJQANCHMSA-N 326.396 3.632 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCSC2 587618671 PNRTWJIMDXKAIU-QAPCUYQASA-N 328.389 3.620 0 1 EHAF O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12 587967857 UDKXIZAWFJUPPZ-QXFUBDJGSA-N 333.185 3.703 0 1 EHAF NC(=O)c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1 653702323 YFMXZHPHSROBEH-UHFFFAOYSA-N 341.374 3.534 0 1 EHAF CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@@H]1c1ccc(OCC)cc1 653823883 XNJXEEMFEIOKBW-ULQDDVLXSA-N 344.432 3.922 0 1 EHAF Cc1cc2c(cc1F)[C@@](C)(c1ccncc1Br)NCC2 962093053 OODLEKUGXTVIKE-MRXNPFEDSA-N 335.220 3.701 0 1 EHAF C[C@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@@]3(C1)[C@H](CO)C2=O 1857570522 DVXUPUAZIMDBSY-VHKGEHHTSA-N 348.483 3.662 0 1 EHAF Cc1ccc2nc([C@](O)(c3ccccc3)c3ncccc3C)n(C)c2c1 1857604567 BHOFMGBDNBQBHO-QFIPXVFZSA-N 343.430 3.869 0 1 EHAF O=C1c2ccccc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1 3814216 CRPBEXXXEBUOEC-UHFFFAOYSA-N 348.446 3.585 0 1 EHAF COc1ccc2[nH]cc(CCNc3cc(-c4cccnc4)ncn3)c2c1 4258443 OEQBTQBMZJLFGU-UHFFFAOYSA-N 345.406 3.683 0 1 EHAF aggregator O=C(NC(c1ccccc1)c1ccccc1)O[C@@H]1CN2CCC1CC2 13674420 FVIWHTVYXWHHSP-LJQANCHMSA-N 336.435 3.596 0 1 EHAF C/C(=C\C(=O)O)CC[C@@H]1[C@@]2(C)CCC[C@@](C)(CO)[C@@H]2CC[C@@]1(C)O 36378669 IYSBWLRXTOIYFZ-KBLZDMJYSA-N 338.488 3.764 0 1 EHAF in-vivo O=C(c1ccc(-c2nc(-c3ccccn3)no2)s1)C(F)(F)F 40391598 UWMKQNCALZOYBT-UHFFFAOYSA-N 325.271 3.605 0 1 EHAF CCOC(=O)Cc1ccccc1OC(=O)Cc1cccc(Cl)c1 40829587 NYKHUEWXQIFENZ-UHFFFAOYSA-N 332.783 3.594 0 1 EHAF CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccn3)CC2)cc1 40951570 XHFVGGDHBWNXLS-UHFFFAOYSA-N 336.439 3.549 0 1 EHAF O=C(CCc1nnc(/C=C/c2ccccc2)o1)c1nc2ccccc2[nH]1 95576719 PJRYCOQWXRCSSR-ZRDIBKRKSA-N 344.374 3.932 0 1 EHAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)N1CCCC1)[C@H](c1ccc(Cl)cc1)C2 100728654 FDJNTRXHKYKJDR-XMTFNYHQSA-N 332.875 3.529 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccc4ccccc14)CN32 100809701 JKAFFXOGVDWHNS-ZXMNTEBCSA-N 333.431 3.879 0 1 EHAF C[C@](O)(Cn1cncn1)c1ccc(Oc2ccc(F)cc2)cc1Cl 103173053 LDELYMNZOSCAIM-KRWDZBQOSA-N 347.777 3.771 0 1 EHAF COc1cc(F)c([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 116194929 VJQHZPJDDALUIV-OAHLLOKOSA-N 345.305 3.548 0 1 EHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccs2)n1 142110516 QZCHNGHROUYZIC-NWDGAFQWSA-N 332.429 3.692 0 1 EHAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](CC[C@]3(C)O[C@H]3CC1)[C@H](C)C(=O)O2 299814901 WDEIQHZSEQJHHX-VOSWSFSHSA-N 336.472 3.763 0 1 EHAF COc1cnc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1Cl 587065103 SYYWLUHAJVJZIX-UHFFFAOYSA-N 331.656 3.843 0 1 EHAF Cc1nccc2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 587168116 SLKPLSDCVHNIGR-HNNXBMFYSA-N 339.374 3.774 0 1 EHAF COC(=O)c1ccnc2[nH]c(-c3[nH]c4ccc(F)cc4c3Cl)nc12 587174387 IZJFBXZAEQCSOK-UHFFFAOYSA-N 344.733 3.685 0 1 EHAF CCOC(=O)c1ccc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 587194780 AZAKDHYCMQSKJO-CYBMUJFWSA-N 337.423 3.957 0 1 EHAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccnc(Br)c2[nH]1 587195069 FRYJUPDHLODLBS-JTQLQIEISA-N 345.244 3.938 0 1 EHAF COc1ccccc1Nc1ccccc1-c1nc2cc(=N)[nH]cc2[nH]1 587240254 HNKDPTKRAOSLEF-UHFFFAOYSA-N 331.379 3.790 0 1 EHAF CCc1nn(CC)c2c1[C@@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587392942 XVIDMDBXWQXMPM-HXUWFJFHSA-N 339.439 3.553 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(-c4ccccc4)c1)[C@@H](C2)C3=O 587430317 DCSUYKIDLUMACH-UWJYYQICSA-N 346.386 3.544 0 1 EHAF Cc1nn(C)cc1C(=O)c1c(C(F)(F)Cl)[nH]c2cc(F)ccc12 587633936 OYPYWQUAZLHZRO-UHFFFAOYSA-N 341.720 3.868 0 1 EHAF Cc1ccc([C@@H]2C[C@H]2C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652338 PJBSIUWGXLXOLW-DOTOQJQBSA-N 338.794 3.802 0 1 EHAF CCOc1ccccc1-c1cccc(-c2nc3c(N)ncnc3[nH]2)c1 587779541 AKGFLFRVQBFCCE-UHFFFAOYSA-N 331.379 3.668 0 1 EHAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cccc(C(N)=O)c2[nH]1 587952161 ZZJYDEJIXWCUHZ-LBPRGKRZSA-N 331.375 3.955 0 1 EHAF CC[C@@H](Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1)C(=O)O 653807598 XCBROCCYANLSNG-HNNXBMFYSA-N 345.826 3.923 0 1 EHAF Cc1cccc(C2=C[C@@H](c3ccc(Br)cc3)C(=O)NN2)c1 957579808 NIGFESIOGXZIAE-HNNXBMFYSA-N 343.224 3.517 0 1 EHAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cc3cc(F)ccc3s2)N1 962891440 BGKLLHOEJCDQHG-GUYCJALGSA-N 345.370 3.868 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@H]3C1CCC(OC)CC1 963064135 GRFIBZRLUZXKCF-XBMPDCEQSA-N 326.440 3.635 0 1 EHAF O=C(O[C@@H]1CCCc2[nH]c(=Nc3ccccc3)sc21)n1ccnc1 1857655409 OSBJNTUTOCEJNF-CQSZACIVSA-N 340.408 3.567 0 1 EHAF Cc1cc(C)cc(-c2ccc(N[C@H]3CC[C@H](O)CC3)c(C(N)=O)c2)c1 1857748003 UVTJIAVCPHESAM-IYARVYRRSA-N 338.451 3.785 0 1 EHAF CCCCN1CCC(COC(=O)c2ccnc3ccccc23)CC1 1857765517 OISOMHYDYLKFDN-UHFFFAOYSA-N 326.440 3.904 0 1 EHAF CC(C)=CC[C@H](O)C(C)=CC[C@@]1(O)OC(=O)C(C)=C2CCC[C@]21C 2356426131 QHIGIWVSGGPMOB-DFQSSKMNSA-N 334.456 3.792 0 1 EHAF CC=C(C)C(=O)OCC=C(C)C(=O)OCC=Cc1ccc(OC)cc1 2356648123 OOFFFDNFBGROFL-UHFFFAOYSA-N 344.407 3.707 0 1 EHAF Cc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)o1 428783 ZTWDOLCMYNFAIW-UHFFFAOYSA-N 334.335 3.770 0 3 EHAF CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1F 530961 WIHYEQCGJAACCR-HXOBKFHXSA-N 337.331 3.523 0 3 EHAF C[C@H](O)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356375022 MUZMXKKQNPFGNS-CCZANSKESA-N 332.484 3.774 0 1 EHAF CC[C@H]1CCCCN1CCCNC(=O)c1cc2c(s1)CSC2 6736760 ZPDVBERPWMIDIC-AWEZNQCLSA-N 338.542 3.879 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@@H]1N2C/C=C/CF 101358286 XZWRXMFAFBSAJC-MYCPXJDMSA-N 331.431 3.630 0 1 EHAF c1ccc(-c2ccc(Cc3noc(CCc4c[nH]cn4)n3)cc2)cc1 27980709 OBPHQDBDSVACGX-UHFFFAOYSA-N 330.391 3.836 0 1 EHAF CNc1nc(SCC(=O)c2cccc(OC)c2)nc2ccccc12 24598846 HJEACJPMSGEJOH-UHFFFAOYSA-N 339.420 3.655 0 1 EHAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@H]1[C@H](C)CC(=O)C3 29480263 GFZHKWGREZBWQT-ISQWPPNESA-N 339.479 3.589 0 1 EHAF CC=CC=CC=C(CO)[C@@H](OCc1c(O)cccc1CCC)[C@H](C)O 2356723046 XKIAQQKVGCCNKN-KKSFZXQISA-N 346.467 3.662 0 1 EHAF O=C(N1C[C@@]23C=C[C@@H](C[C@H]2CC12CCCCCC2)O3)C(F)(F)F 5816923 ZPQKAJRADSHHCE-XEZPLFJOSA-N 329.362 3.588 0 1 EHAF biogenic CCN1CCN(C(C)C)[C@H]2CCn3c(c(C)c4cc(OC)ccc43)[C@@H]21 40488889 FMZKFHZGCQOPRB-PZJWPPBQSA-N 341.499 3.818 0 1 EHAF CCOC(=O)c1c(OC2[C@@H](C)CCC[C@H]2C)c(CC)c(C)[nH]c1=O 40430649 JIOAMVWNTKYBKR-HBBFGDNQSA-N 335.444 3.626 0 1 EHAF COc1ccc2c(c1N)CCC[C@H]2c1cc(OC)c(OC)c(OC)c1 84619851 ZATRGLGDKGEQHP-ZDUSSCGKSA-N 343.423 3.771 0 1 EHAF CCC(CC)CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N 45168228 YLHGMOLVIJRUAX-UHFFFAOYSA-N 335.451 3.523 0 1 EHAF Cc1cnc(N2CCSCC2)nc1N[C@@H]1C[C@H](C)CC(C)(C)C1 82202594 NCNIQPVXMZBBAY-DZGCQCFKSA-N 334.533 3.965 0 1 EHAF C[C@]12C[C@@H](C=O)C(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 253380198 DLZUBMGMHUNDLF-OTCONDNZSA-N 332.484 3.774 0 1 EHAF COc1ccc([C@H]2CC(=O)c3c(O)c(C)c(OC)c(C)c3O2)cc1 32233130 LLBVNCCXXBDXBS-OAHLLOKOSA-N 328.364 3.733 0 1 EHAF biogenic CC[C@@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)c1nc2ccccc2o1 299887140 YIPXRUISNFPJLA-ZQDZILKHSA-N 340.423 3.732 0 1 EHAF C/C(=C\[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C 587385070 BHSOOFADABQTHB-NKSQBSFPSA-N 336.435 3.903 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC(C)(C)C)n1)O2 587394009 PKDXEXRXDCZLPJ-INIZCTEOSA-N 326.396 3.856 0 1 EHAF CCCOc1ccccc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1N 587650549 NIHHYWRQUHJOFU-UHFFFAOYSA-N 344.436 3.609 0 1 EHAF C[C@@H](O)c1ncc(-c2nc3cc(Br)c(F)cc3[nH]2)s1 587022675 URSLEFUGAAYBNJ-RXMQYKEDSA-N 342.193 3.641 0 1 EHAF CCOC(=O)Cc1ccc2nc(-c3cc(S)ccc3F)[nH]c2c1 587143003 SBHWVNKRWNBZNY-UHFFFAOYSA-N 330.384 3.763 0 1 EHAF O=C1C[C@@](Cc2ccccc2)(C(=O)O)Oc2c1ccc1c2CCCC1 587528543 BNUAGBMUEVGLCH-NRFANRHFSA-N 336.387 3.597 0 1 EHAF CN(C)c1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)nc1 587194731 MKIMWHWTGIJOLC-UHFFFAOYSA-N 335.180 3.593 0 1 EHAF CCCC(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812805 KTHJFDJFWCKFQT-PSLIRLAXSA-N 328.225 3.707 0 1 EHAF C[C@H]1CCCC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587818882 GELNYOUKVJLMEA-IEVXNVSRSA-N 340.236 3.707 0 1 EHAF COC1=C[C@@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587810710 LKRXKEMEEWNGIG-BJOHPYRUSA-N 326.209 3.642 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c(-c3csc4c3CCOC4)nc2c1 587031753 LVQWKISHMRXAIO-UHFFFAOYSA-N 348.811 3.804 0 1 EHAF Cc1cc2c(Br)ccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2o1 587003479 KCBGCIFBPSBEPN-UHFFFAOYSA-N 343.184 3.855 0 1 EHAF Cn1cc2cccc([C@]3(C)c4c(F)cccc4C[C@H]4CCCN43)c2n1 963101873 MHKQYPFHQWNRTM-IIBYNOLFSA-N 335.426 3.996 0 1 EHAF CC(C)c1ccccc1NC(=O)NCCc1ccc2c(n1)NCCC2 149215308 MWRKNZBEMQTWLS-UHFFFAOYSA-N 338.455 3.927 0 1 EHAF Cc1cccn2cc(-c3ccc(OCCCn4ccnc4)cc3)nc12 13819578 SJSFKHIUFCTMMV-UHFFFAOYSA-N 332.407 3.975 0 1 EHAF CN1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)/C(=C/C(=O)O)CC[C@@H]4[C@@H]3CC[C@@H]12 169357203 RSHSEAUIGQPKLY-SKCSDWOFSA-N 345.483 3.861 0 1 EHAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1ccc(F)cc1 167867966 IIXDBWWKCZDDKW-OAHLLOKOSA-N 329.371 3.707 0 1 EHAF CCC(=O)Oc1c(OC)c(OC)c(OC(=O)CC)c2cc(C)ccc12 29314104 HRRHMBYVSMZLPP-UHFFFAOYSA-N 346.379 3.796 0 1 EHAF CCc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1 13492150 XVCUYEBIKZDNMH-UHFFFAOYSA-N 331.375 3.809 0 1 EHAF CC1(C)CN=C2c3ccccc3[C@](O)(c3ccc(Cl)cc3)N2C1 13760573 ASZXQHNFBSDBMN-LJQANCHMSA-N 326.827 3.635 0 1 EHAF O=C(NCCN1CCCCC1)[C@H](c1ccccc1)C1CCCCC1 26379593 KFLCQGDXXUKTRK-HXUWFJFHSA-N 328.500 3.953 0 1 EHAF CN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1 35812782 RQQBVBFYGSVQNK-UHFFFAOYSA-N 330.391 3.859 0 1 EHAF C[C@@H]1CNCC[C@@H]1CNC(=O)c1ccccc1-c1cccc(Cl)c1 49047546 COFVSAVKXZLUQG-GDBMZVCRSA-N 342.870 3.982 0 1 EHAF Cc1ccc2cc(-c3n[nH]c4ccc(N[C@H]5CCNC5)cc34)[nH]c2c1 66099153 LONFMYCCPGGOAF-HNNXBMFYSA-N 331.423 3.793 0 1 EHAF in-vivo CCO[C@@H](C(=O)NC)c1cccc(COc2cc(C)ccc2C)c1 103177243 FBBNJJARAJXOHA-LJQANCHMSA-N 327.424 3.706 0 1 EHAF NC(=O)c1c(-c2ccc3ccccc3c2)nn(CC2CCCCC2)c1N 103252503 WZYJYIAEKIIPFR-UHFFFAOYSA-N 348.450 3.965 0 1 EHAF CC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118932668 CIUZTBJZAMUYJU-PSXZQQPGSA-N 334.500 3.710 0 1 EHAF COc1cccc2c1N(C(=O)CSc1ncccc1Cl)CCC2 138906707 RCQANPHBEVONMT-UHFFFAOYSA-N 348.855 3.815 0 1 EHAF COc1ccc(C)n2nc(CCc3ccc4cccc(F)c4n3)nc12 144405324 JCNZDLOAPDELQF-UHFFFAOYSA-N 336.370 3.519 0 1 EHAF Cc1ccc(OCc2cccnc2-c2ccnn2C(C)C)c(C=O)n1 145998281 LGCAFAIFMIUXNI-UHFFFAOYSA-N 336.395 3.621 0 1 EHAF Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3ncccc23)cc1 169311776 OQDIKZXZPCUBGO-UHFFFAOYSA-N 331.375 3.523 0 1 EHAF COC(=O)[C@@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2CCCO[C@@H]21 169358605 KAIRBWGUKDEUFM-GSZYYRFFSA-N 346.398 3.515 0 1 EHAF COc1ccc2c3c([nH]c2c1)C[C@@H]1C[C@]3(c2cccc(O)c2)CCN1C 195307014 OLISSJIVMPYVMP-QRQCRPRQSA-N 348.446 3.819 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)Cc3c(CO)coc3C[C@@H]12 238780689 MDNZWGMJADDCJN-PSALHPJNSA-N 332.440 3.801 0 1 EHAF CC(C)CN1C[C@H]2[C@@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 254042356 FDBHGSADCGAUSO-MUJYYYPQSA-N 341.282 3.557 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C1(CCOCC1)C3 586992870 ZIGNSIPSJLSBHV-UHFFFAOYSA-N 343.382 3.756 0 1 EHAF CC[C@@H](Oc1ccccc1Cl)c1nc2c(O)nc(S)nc2[nH]1 587062410 SDQCIJIEWWWPCX-MRVPVSSYSA-N 336.804 3.531 0 1 EHAF CCc1ccccc1NC(=O)c1nc2cc3c(cc2[nH]1)OCCCO3 587240732 JDEOYJCVLGZCCK-UHFFFAOYSA-N 337.379 3.539 0 1 EHAF Cc1ccc([C@@]2(c3ncc[nH]3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587395962 HKFMTXGRBUNUOX-HXUWFJFHSA-N 333.391 3.518 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4cccc(OC)c14)[C@@H](C2)C3=O 587438099 MBHIURLKZXOBGW-YUNKPMOVSA-N 335.359 3.674 0 1 EHAF O=C1C[C@@](C(=O)O)(c2ccccc2F)Oc2c1ccc1c2CCCC1 587500348 BEHFQXKHBCXPAL-FQEVSTJZSA-N 340.350 3.650 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccccn2)N1 587774276 VIRHZYCRJZVFQO-APPDUMDISA-N 349.247 3.975 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)CCC[C@H]2C 587824767 YKKUJFGZBOCPBX-XIZWVBILSA-N 340.236 3.707 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC(C)(C)C2)N1 587831200 HHBMLMSQQVCOMU-QFYYESIMSA-N 342.252 3.907 0 1 EHAF CSc1ncccc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876833 UBJYSSMSEKPJAH-UHFFFAOYSA-N 327.340 3.600 0 1 EHAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 587931556 KFVKKNBGZBDXPP-WYRIXSBYSA-N 334.379 3.599 0 1 EHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587951175 KJVQHBAQPYWVGJ-UHFFFAOYSA-N 342.420 3.565 0 1 EHAF Nc1ccc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c(F)n1 1772651804 LHAVBPKVYIFDOH-CYBMUJFWSA-N 343.383 3.533 0 1 EHAF Cn1ncc2c(NCc3ccc(C(F)(F)F)cc3)nc(Cl)nc21 1857754859 OCJUFNDXDHXTIL-UHFFFAOYSA-N 341.724 3.648 0 1 EHAF CC1(C)CCC[C@@]2(C)[C@H]1CC=C(CO)[C@@H]2CCC(=CC(=O)O)CO 2356485066 RCTNNDKRYXNYTI-ABSDTBQOSA-N 336.472 3.541 0 1 EHAF COc1ccc([C@H]2N(c3cccc(Cl)c3)C(=O)[C@H]3CCCN32)cc1 58047051 XRVWHSCURBBRDW-QZTJIDSGSA-N 342.826 3.858 0 3 EHAF Cc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)C2CCCCC2)cc1C 61905656 FTCHPVPHZRMZBQ-HXUWFJFHSA-N 328.456 3.813 0 3 EHAF Cc1ccc(C(=O)Nc2c(O)n[nH]c2-c2ccc(Cl)cc2)cc1 95568317 HRTADBKFYTUYSO-UHFFFAOYSA-N 327.771 3.996 0 3 EHAF O=c1c(-c2ccc(Cl)cc2)nc2cncnc2n1Cc1ccccc1 4238506 AOTLBNMXHMXFHJ-UHFFFAOYSA-N 348.793 3.555 0 1 EHAF CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)NCCO 13475541 GBQSRUAXKWJYGA-RKMLUMNZSA-N 339.520 3.879 0 1 EHAF COc1cccc(COc2c(C(C)=O)c(O)c(OC)c3occc23)c1 13682295 DBPLMTJQQCIHFM-UHFFFAOYSA-N 342.347 3.937 0 1 EHAF CCc1nnc2c(N(CC)CC)nc3cc(Cl)c(Cl)cc3n12 26375718 OVGXRVCCGHVHKU-UHFFFAOYSA-N 338.242 3.993 0 1 EHAF Nc1nc2ccc(Cl)cc2n2c(-c3ccc(Cl)cc3)nnc12 26379051 ZHHAIZPGQINLRR-UHFFFAOYSA-N 330.178 3.834 0 1 EHAF CC(C)c1c(-c2ccncc2)[nH]c2ccc(C3=NNC(=O)CC3)cc12 26735260 UYPXBZMTFOYPHU-UHFFFAOYSA-N 332.407 3.967 0 1 EHAF COc1cc2c(cc1OC)[C@@H](C[C@@H](O)c1ccc(Cl)cc1)NCC2 28525309 PWAWBYGMUYUAIE-IAGOWNOFSA-N 347.842 3.668 0 1 EHAF Cc1cc(C(=O)Nc2cccc(OC(C)C)c2)cc(C)c1OCCN 28966935 AVOBXCPRIVNWMJ-UHFFFAOYSA-N 342.439 3.680 0 1 EHAF COc1ccc(Oc2cc(N3CCc4ccccc4C3)ncn2)cc1 35931687 OOUGHCZYDUSCTO-UHFFFAOYSA-N 333.391 3.840 0 1 EHAF CCCC[C@@]1(C)CC(=O)N(Nc2ccc(Br)cc2)C1=O 40380169 ULBFYXGRNDLLRG-HNNXBMFYSA-N 339.233 3.731 0 1 EHAF CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC=O)cc2)cn1 66258589 PTOSUWZZOPTDOD-HNNXBMFYSA-N 328.412 3.728 0 1 EHAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccc2ccccc12 100817159 JKAFFXOGVDWHNS-LXPQLBKSSA-N 333.431 3.879 0 1 EHAF CCC[C@@H]1CC[C@H](Cc2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 103183714 OKIGMIWWMUOWHE-JFIYKMOQSA-N 333.863 3.732 0 1 EHAF CCOC(=O)c1ccc2nc(-c3cccnc3)c3c(c2c1)NCCC3 103261367 CAYLLNNRKRSNSP-UHFFFAOYSA-N 333.391 3.832 0 1 EHAF OC(Nc1cc(Cl)cc(NC(O)=C2N=NN=N2)n1)=C1N=NN=N1 140919919 BFZWAKDZGFSRFQ-UHFFFAOYSA-N 335.675 3.594 0 1 EHAF OCc1ccc(OCc2ccc(O)c(Cc3ccc(O)cc3)c2)cc1 205384123 LAAQHTJGSABUSJ-UHFFFAOYSA-N 336.387 3.760 0 1 EHAF C[C@]12N[C@@H](Cc3ccccc31)c1ccc(I)cc12 209737342 OIXIOLPQZWIEAK-HOTGVXAUSA-N 347.199 3.755 0 1 EHAF CC(C)=CCC[C@@]1(C)Oc2c(c(O)cc(O)c2C(=O)C(C)C)C[C@H]1O 215464038 OTCGNFYHXWMHCW-OXQOHEQNSA-N 348.439 3.737 0 1 EHAF CC1=C[C@H]2C[C@@H]3[C@]4(C[C@@H](c5ccoc5)OC4=O)[C@@H](C)CC[C@]13C(=O)O2 523041458 DBKVXSDHPBHJOE-RLJJCCAGSA-N 342.391 3.562 0 1 EHAF biogenic C[C@H](O)c1ncc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)s1 587022309 PQEUCLKMZDAWRF-YFKPBYRVSA-N 331.294 3.898 0 1 EHAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(C(=O)O)cc2[nH]1 587026400 CYFLSIFWVUTNET-UHFFFAOYSA-N 339.376 3.877 0 1 EHAF N[C@@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1Cl 587058455 VVNLEROQUMEBAO-NSHDSACASA-N 340.736 3.873 0 1 EHAF C[C@@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)c1ccccc1C(F)(F)F 587097369 JYWMSPGAHTWPQZ-ZCFIWIBFSA-N 341.724 3.541 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(OC)c(F)c1)[C@@H](C2)C3=O 587424974 ZFDRRSZOKRTKPG-HXPMCKFVSA-N 346.329 3.645 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCCc4ccc(OC)cc41)[C@@H](C2)C3=O 587442137 KCZDUWQFMMPODM-LAUBAEHRSA-N 336.387 3.683 0 1 EHAF CCOCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443340 OVWOBLLXNWQCAE-OXQOHEQNSA-N 340.375 3.557 0 1 EHAF C[C@@]1(c2ccnc(Cl)n2)CC(=O)c2ccc3c(c2O1)CCCC3 587498431 IIRTYEHBAQJADB-SFHVURJKSA-N 328.799 3.889 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COC2CCC2)N1 587807918 FIYKOTAROIKGDU-NOZJJQNGSA-N 328.225 3.733 0 1 EHAF COCCCN1CCc2ccc(OC)cc2[C@]12CC1CCC2CC1 961325062 PEPKHBJLKSHAPH-QYGXFBIXSA-N 329.484 3.995 0 1 EHAF COC(=O)c1c(F)cccc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963100775 JKHIWLTXWQLXRK-IFXJQAMLSA-N 343.373 3.861 0 1 EHAF COc1cccc(-n2c(C(C)C)nc3cc(C(=O)O)ccc32)c1O 1857607831 GYSFUOPWGOBFTP-UHFFFAOYSA-N 326.352 3.561 0 1 EHAF COc1ccccc1[C@H](O)c1cc(O)cc(-c2c(C)noc2C)c1 1857638056 CYLYSMPUMNAUQD-LJQANCHMSA-N 325.364 3.754 0 1 EHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@H]1[C@]2(C)CCC[C@@]1(C)O 2356593081 WNPXLRJLRYVJFB-XCZFOBESSA-N 336.472 3.765 0 1 EHAF Cc1cc2c(cc1C(=O)O)[C@H](C)CC[C@]1(C)[C@@H]2C[C@@H](O)[C@H]1C(C)(C)O 2356595080 RVEIOVWIASKTSD-VOBKAWCGSA-N 346.467 3.832 0 1 EHAF COc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3C)n[nH]2)cn1 61902318 GOFLHZSMSRHZRL-UHFFFAOYSA-N 342.786 3.694 0 3 EHAF O=C(O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 16035064 LBCNHUJFDVBZDB-OLZOCXBDSA-N 338.338 3.747 0 1 EHAF in-vitro Cc1nccn1CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 26268247 NEJMNYXZUZTYEG-UHFFFAOYSA-N 347.462 3.656 0 1 EHAF CCN[C@@H](c1ccc(OC)cc1)[C@H](NCC)c1ccc(OC)cc1 27898597 RWBJZGOKQIHOFV-BGYRXZFFSA-N 328.456 3.705 0 1 EHAF COc1cc(C(=O)c2sc3cccc(C)c3c2N)cc(O)c1OC 28643075 MWUUKUOCSZLEFG-UHFFFAOYSA-N 343.404 3.746 0 1 EHAF CC(C)[C@@H]1c2ccc(O)cc2C[C@H]2C(=O)N(C3CCCCC3)C(=O)N21 45301468 WNTLCYJHJNHJFK-ZWKOTPCHSA-N 342.439 3.611 0 1 EHAF O=c1c2c3c(sc2nnn1-c1ccc2ccccc2c1)CCCC3 73240646 UOSDAVNSHWUCEO-UHFFFAOYSA-N 333.416 3.874 0 1 EHAF CCN1CCCN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)CC1 95552186 KXSDMGBKEOZRMI-NRFANRHFSA-N 336.479 3.567 0 1 EHAF CC(C)N1CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)CC1 95553251 WZLSGSRMPOEBMK-OAQYLSRUSA-N 336.479 3.566 0 1 EHAF Cn1cnc2ccc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)cc21 96169426 AUENKTDUJWRDRL-HKUYNNGSSA-N 331.419 3.518 0 1 EHAF OC1=C2C(=Nc3nnnn3[C@H]2c2c(Cl)cccc2Cl)CCC1 103627754 LGYZZDOCDCYITG-ZDUSSCGKSA-N 336.182 3.651 0 1 EHAF C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C 169354831 QFVBCVIDAINDJL-CFGAKRJMSA-N 345.414 3.615 0 1 EHAF COC(=O)[C@@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2CCCO[C@@H]21 169358604 KAIRBWGUKDEUFM-PLAOUPQYSA-N 346.398 3.515 0 1 EHAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)n1 587078864 CRVFJLSCFUPKIX-JTQLQIEISA-N 345.834 3.753 0 1 EHAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3ccccc3cc2[nH]1 587225351 QBHYGJWFZRGEGK-CQSZACIVSA-N 345.402 3.800 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(-c3ccccc3)n1)O2 587393784 MGEZDBWVHMLWQY-GOSISDBHSA-N 331.375 3.741 0 1 EHAF CC(C)(C)OC(=O)NCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511439 KQBHKKMRBJXUMC-CQSZACIVSA-N 345.439 3.814 0 1 EHAF Cn1c(Cl)nc(Cl)c1[C@H]1c2c(F)cccc2C[C@H]2CCCN21 963105176 VDMKGZYTGDGIPN-ZWNOBZJWSA-N 340.229 3.976 0 1 EHAF Cc1ccc(C2=NO[C@@H](COc3ccc4ccc(=O)oc4c3)C2)cc1 1772598161 DJEJYSDZGFGPHF-QGZVFWFLSA-N 335.359 3.673 0 1 EHAF CN(C)c1ccc(-c2cc([C@H]3COC4(CCCCC4)O3)n(C)n2)cc1 1857553780 OJSXORGRZVFPTQ-LJQANCHMSA-N 341.455 3.901 0 1 EHAF COC(=O)C1=CC=C[C@H]2[C@@](C)(CCc3ccoc3)[C@@H](C)CC[C@]12CO 2356566679 PJHGAHSSRFVDMB-HGWQEYRNSA-N 344.451 3.913 0 1 EHAF CC1(C)C(Br)=C[C@@H](O)[C@]2(C)O[C@@H]3C[C@@]12CC[C@]3(C)Cl 2356585120 DQGHGRXDZHRTFQ-MFHWUAJNSA-N 349.696 3.991 0 1 EHAF CC(=CCC[C@@]1(C)c2c(c3c(C)cc(O)cc3oc2=O)O[C@H]1C)CO 2356640807 RLMJKQCFPTZLDT-RNODOKPDSA-N 344.407 3.564 0 1 EHAF C[C@@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccc(F)cc2)=NO1 12726750 NNJXSIVGVUKGSI-IBGZPJMESA-N 337.354 3.839 0 3 EHAF CCCN1C(=O)COCc2cc(-c3ccc(OC)c(OC)c3)ccc21 74374747 VIEDEMPMDQHGMV-UHFFFAOYSA-N 341.407 3.644 0 3 EHAF CN1CCc2cc(Cl)c3c(cnn3C)c2[C@@H](c2ccccc2)C1 13608534 MPRPFZNLZRCDHI-MRXNPFEDSA-N 325.843 3.847 0 1 EHAF C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@@H]4CCC(C)(C)N4O3)[C@@H]12 28360943 YKBNCANYICUBKG-ABEVXSGRSA-N 345.483 3.857 0 1 EHAF Clc1ccc(CN2CCc3ccccc3[C@@H]2Cn2cncn2)cc1 28761632 UQNMOEJTHHCVPY-IBGZPJMESA-N 338.842 3.731 0 1 EHAF CCCNCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@@H]1C 28771930 WXFLCUZLMSDEJW-HNNXBMFYSA-N 335.451 3.788 0 1 EHAF CC[C@H]1C[C@H]2C[C@@H](C(=O)OC)c3[nH]c4ccccc4c3CCN(C1)C2 31948163 OXTRSDFIRKYKEX-RLFYNMQTSA-N 340.467 3.719 0 1 EHAF biogenic CC(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 40395200 ANVIRSRIYYSFBV-AWEZNQCLSA-N 329.271 3.730 0 1 EHAF Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C)cc(CN2CCOCC2)c1C 45259917 WSOHKASMFUAWFD-FOIQADDNSA-N 344.499 3.900 0 1 EHAF CNC(=O)c1ccc2cc(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1 49808040 SCEMGYWHICGVBY-UHFFFAOYSA-N 330.391 3.508 0 1 EHAF CNc1nc2ccccc2n2c(-c3cccc(OC)c3OC)cnc12 59223070 URNJDNBRFVQPFA-UHFFFAOYSA-N 334.379 3.608 0 1 EHAF CSc1ncc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)cn1 72103285 FXZJJEHTFYJGSJ-QGZVFWFLSA-N 343.839 3.531 0 1 EHAF CNC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 84713790 ZJXPXWXINLWHCV-GPYRIXEGSA-N 346.515 3.896 0 1 EHAF COc1cc(Cl)ccc1O[C@H](c1ccc(C)cc1)[C@@H]1CNCCO1 87723711 QQHREAWMTUYOBO-RBUKOAKNSA-N 347.842 3.766 0 1 EHAF in-vitro O=C1Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)cc2C1 96169281 AIURBXRQZREDCO-VXKWHMMOSA-N 345.442 3.689 0 1 EHAF CN(C)CCCN[C@H]1C2C[C@@H]3C[C@H](C2)CC1(Cc1ccccc1)C3 96931466 CIGGBOATJYNBEF-HKHIRDCPSA-N 326.528 3.965 0 1 EHAF O=C(Nc1cccc(Cl)n1)c1cc(F)cc(Oc2cncnc2)c1 96938949 XWHLYYMBZGRJKE-UHFFFAOYSA-N 344.733 3.709 0 1 EHAF CCCn1[nH]cc2nc(-c3cnc(-c4ccccc4OC)s3)nc1-2 103586190 KMWLTGPWVWXHJD-UHFFFAOYSA-N 339.424 3.920 0 1 EHAF O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCOc2ncccc21 146684311 NQFZBCDOXBDJOK-AWEZNQCLSA-N 337.206 3.571 0 1 EHAF O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1CCc2ncsc21 220856543 ACUXUGDOXORIDX-NSHDSACASA-N 341.263 3.839 0 1 EHAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(Br)c(O)c3[nH]1)C2 586883777 DLXFVTRSJDNLMA-LPEHRKFASA-N 347.212 3.670 0 1 EHAF Oc1c(-c2nc3cc(Br)ncc3[nH]2)ccc2c1CCCC2 586898680 SNLOLXIGGLJZLZ-UHFFFAOYSA-N 344.212 3.972 0 1 EHAF Nc1ccnc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12 587015722 IZVQPFVMXMCNIV-UHFFFAOYSA-N 327.800 3.984 0 1 EHAF OCCc1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587134897 QJSQXYIXHVYZDE-UHFFFAOYSA-N 342.317 3.610 0 1 EHAF O=C(O)Cc1c(-c2ccc(F)cc2F)nc2cccc3c2c1CC3 587210712 WKCRXZWQNYIGKK-UHFFFAOYSA-N 325.314 3.906 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Cl)c(N)cc31)O2 587378350 BLZHCXTUNKSVCT-GOSISDBHSA-N 328.799 3.620 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(C(C)(C)C)c1C)[C@@H](C2)C3=O 587431625 LBATZGWKKOZWAH-LIRRHRJNSA-N 340.423 3.752 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccco1)CC2=O 587485451 VWLVDWHLDBUXDW-LJQANCHMSA-N 344.363 3.663 0 1 EHAF CC(C)SC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605743 DZUGBZLDFUMSQT-HZPDHXFCSA-N 330.405 3.864 0 1 EHAF OCCCN1CCCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1 1857591753 GDZSDWIMYIJLKI-SFHVURJKSA-N 337.423 3.799 0 1 EHAF COc1ccc(-c2nc(Cc3c[nH]c4ccccc34)no2)c(OC)c1 1857602774 WWIPMHPYQIHMCK-UHFFFAOYSA-N 335.363 3.826 0 1 EHAF C[C@]12C[C@H](CO)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(C)O 2356635676 GGRVPLDBVRRQSR-QJBISEPPSA-N 334.500 3.568 0 1 EHAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cc3ccccc3s2)C1 61905244 FRIZUZUXZJWHEG-IBGZPJMESA-N 344.480 3.670 0 3 EHAF C[C@@H](C(=O)O)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O 216796 FAKZZRVHIRQEDG-BZNIZROVSA-N 345.395 3.554 0 1 EHAF CN1CC[C@@H]2[C@H](CCC[C@@H]2NC(=O)c2ccc(Cl)c(Cl)c2)C1 1841681 QEHYKCMIGAKKMG-IOASZLSFSA-N 341.282 3.844 0 1 EHAF COc1cc2c(c(OC)c1O)C[C@@H]1[C@H](C2=O)c2ccccc2C1(C)C 13383520 XIHRWFBCNJIXNK-NVXWUHKLSA-N 338.403 3.839 0 1 EHAF biogenic COc1cccc(-c2cc(O)c3c(Br)ccnc3n2)c1 29467760 AWSXNOSBASSXLV-UHFFFAOYSA-N 331.169 3.774 0 1 EHAF CN1CCc2c3n(c4cc(Br)ccc24)[C@H](O)CCC[C@H]31 31853422 SEKCREXSGCGPFK-UKRRQHHQSA-N 335.245 3.608 0 1 EHAF biogenic C[C@H]1CN2C[C@@H](c3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1 35075245 HUPDWIIWCCBRMP-UHVFKWDWSA-N 336.479 3.705 0 1 EHAF Cc1cc2c(c(=O)o1)[C@H]1O[C@](c3ccsc3)(Cc3ccccc31)O2 36379222 PMRWUAAWLAFMNE-HKUYNNGSSA-N 338.384 3.917 0 1 EHAF O=C(COc1ccc(Cl)cc1Cl)n1ccc(-c2ccc[nH]2)n1 95755555 IVVMXHMTZHVUPH-UHFFFAOYSA-N 336.178 3.904 0 1 EHAF O=C(c1ccc(O)c(Cl)c1)N1CCC[C@H]2c3ccccc3C[C@@H]21 96169451 LAHOJHCRYFZIIK-RDJZCZTQSA-N 327.811 3.990 0 1 EHAF C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCC1=CCOC1=O 140099766 ZKUWHVKICYZVFY-HCAQKZJRSA-N 330.424 3.566 0 1 EHAF CC(=O)Oc1ccc(C[n+]2ccn(-c3c(C)cc(C)cc3C)c2)cc1 143858225 FASMKQKVTXYEEH-UHFFFAOYSA-N 335.427 3.664 0 1 EHAF CC(C)Oc1cccc(-c2c[nH]c3ccc(-c4nc(N)no4)cc23)n1 145393527 UWODNALMAWQXCS-UHFFFAOYSA-N 335.367 3.649 0 1 EHAF NC(=O)c1ccc(Oc2ccc(CNCCC3CCCC3)cc2)nc1 165304682 NAPPPFGJNSRGJB-UHFFFAOYSA-N 339.439 3.643 0 1 EHAF CN1CC[C@@H](N)C[C@@H]1c1ccc(-c2ccc(N)c3ccccc23)cn1 166970597 PTTVKVSHEDWRHI-QVKFZJNVSA-N 332.451 3.578 0 1 EHAF COC(=O)c1cc2c(OCC3CCCCC3)cc(NC(C)=O)cc2[nH]1 169349103 FJNIKMSCDCPNTK-UHFFFAOYSA-N 344.411 3.872 0 1 EHAF CCCCC[C@@H]1/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O1 194868963 BJXHXZDHQUYRMA-GLWBPFKVSA-N 334.456 3.731 0 1 EHAF CC[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F 204415939 CMARQGBXNUSQLY-CYBMUJFWSA-N 342.336 3.767 0 1 EHAF C/C=C1\CC[C@H]2C3=Nc4ccccc4[C@]34C[C@@H](C[C@@H]4OC(C)=O)N2C1 238780523 VNHKEWIAYPUPDF-KRJVBNJMSA-N 336.435 3.529 0 1 EHAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cncc(Br)c3[nH]2)cc1 586888069 KHMVXJLRXMNDAE-ZUZCIYMTSA-N 346.228 3.866 0 1 EHAF Cc1nc2ccc(O)c3c2c(c1[C@@H](C)C(=O)O)-c1ccccc1C3=O 586989817 FPCRPTSVXAHFES-SECBINFHSA-N 333.343 3.648 0 1 EHAF O=C1c2ccccc2-c2cc(C[C@@H]3CCOC3)nc3ccc(O)c1c23 586991487 OBEWCYPRMCEWLB-LBPRGKRZSA-N 331.371 3.731 0 1 EHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)ncc2[nH]1 587078703 AAFGKOZCVXRPIQ-LLVKDONJSA-N 346.221 3.989 0 1 EHAF COc1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587156740 POVJRWBAXOUYPT-GOSISDBHSA-N 325.343 3.502 0 1 EHAF Cc1c2c(nc3ccc(N4CCC(O)CC4)cc13)-c1c(N)cccc1C2 587212341 NQHIOPGCDMIJJK-UHFFFAOYSA-N 345.446 3.658 0 1 EHAF Oc1nc(O)c2ccc(-c3cccc(SC(F)(F)F)c3)nc2n1 587367925 ASGJNCMOJFWLHV-UHFFFAOYSA-N 339.298 3.715 0 1 EHAF COc1c(F)cc(F)cc1CC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587381633 KPLRPPHDRWABBR-CYBMUJFWSA-N 347.361 3.831 0 1 EHAF 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C[C@H]1C[C@@H](C)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823147 OLPKHIOJWGLAHI-LLZONULXSA-N 340.236 3.563 0 1 EHAF Sc1nc(S)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2n1 587951829 SYWCWWRIOZQOHN-UHFFFAOYSA-N 330.438 3.529 0 1 EHAF CCc1cc(OC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)ccc1Cl 618016114 RLICJXOGWGHQGT-LZWOXQAQSA-N 335.831 3.503 0 1 EHAF C[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3Cl)=NN2C1=O 653692075 WMNWUDGVCSLKCA-MEDUHNTESA-N 326.783 3.799 0 1 EHAF CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@H](C)[C@]12C 2356748121 WGFFJGFLKWMSGK-PFIYWFKMSA-N 346.423 3.748 0 1 EHAF C[C@@]1(c2nnc(-c3ccc(Cl)cc3)o2)CC(c2ccncc2)=NO1 13660327 SRCVTYGMOHBCER-KRWDZBQOSA-N 340.770 3.825 0 3 EHAF O=C(O[C@@]12CCCN(C1)/C(=C/c1cccnc1)C2)c1ccc(F)cc1 96018875 VCTZCXDRRUPKDF-BUDOKORBSA-N 338.382 3.657 0 3 EHAF Cc1ccccc1CN1CCCC[C@H](NC(=O)C2CCCCC2)C1=O 200049904 HRHKVJIRWKKQJW-IBGZPJMESA-N 342.483 3.573 0 3 EHAF O[C@]1(c2ccc(-c3cnc4ccccc4c3)cc2)CN2CCC1CC2 18740 VQXSFCKXYIQZNX-QFIPXVFZSA-N 330.431 3.815 0 1 EHAF Cn1cccc1C(=O)N1CCC2(CC1)CCN(c1ccccc1)CC2 3955733 LQCUSIXNFFYSHK-UHFFFAOYSA-N 337.467 3.548 0 1 EHAF Clc1ccc(CCNc2ncnc3c2nc2n3CCCCC2)cc1 6932716 NEQCQGXMTOZLFD-UHFFFAOYSA-N 341.846 3.861 0 1 EHAF CN(C(=O)c1ccc2nc(C3CCCCC3)oc2c1)[C@@H]1CCOC1 12026826 BLYIZVNVHGWIPJ-OAHLLOKOSA-N 328.412 3.736 0 1 EHAF N=C(N)c1ccc(CCCCCCCc2ccc(C(=N)N)cc2)cc1 25986028 JDRDGHAKOMDDKL-UHFFFAOYSA-N 336.483 3.990 0 1 EHAF C[C@H](O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26395473 HABYHHAEXZCLGB-QYQWGMGISA-N 333.516 3.847 0 1 EHAF CC[C@@H](c1ccc(O)c(CO)c1)[C@@H](CC)c1ccc(O)c(CO)c1 40466009 SEDSWSMQSLWPEX-ROUUACIJSA-N 330.424 3.770 0 1 EHAF CC(=O)c1c(O)c(C=O)c2c(c1O)CC[C@@]1(CC[C@H]3C[C@@H]1C3(C)C)O2 72111202 LNIWEQGQDUPEIM-GZNWPSJOSA-N 344.407 3.633 0 1 EHAF O=C(O)CCCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1 72114775 KBKBUXQNKXNEBC-UHFFFAOYSA-N 337.379 3.526 0 1 EHAF CCC[C@@H]1CC(=O)C[C@]23CCN(C)[C@@H](Cc4ccc(OC)cc42)[C@@H]13 100799947 JMRCYEFEEQSEKU-CGRMTHRGSA-N 327.468 3.589 0 1 EHAF C[C@@H](CF)OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 101112169 ISWUXQKIYIOEJI-WVRYCFJFSA-N 339.838 3.808 0 1 EHAF CNC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 103176974 GIYOFQZEPQYSRZ-SECBINFHSA-N 341.194 3.694 0 1 EHAF O=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(F)cc32)n1 103254788 PTJGURQEPYHSCM-UHFFFAOYSA-N 339.351 3.986 0 1 EHAF CCOC(=O)[C@@H]1[C@@H](c2ccc3c(ccn3CC)c2)C[C@H]2CC[C@H]1N2C 253665686 CVPBQVINTITVFJ-HNBVOPMISA-N 340.467 3.791 0 1 EHAF CCN1CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)C[C@H]1C 254092443 ILZHSLITVGQLJG-WIYYLYMNSA-N 336.479 3.566 0 1 EHAF Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](CC(=O)O)c1ccccc1 299855129 DIKPQFGATRYVCD-OAHLLOKOSA-N 329.396 3.831 0 1 EHAF OCc1ccccc1-c1cccc(-c2nc3cnc(Cl)[nH]c-3n2)c1 586894898 GDQGDXRLNIVDNK-UHFFFAOYSA-N 336.782 3.784 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Cl)cnc2[nH]1 586918042 VYCLPBRCERJYHM-FZKQIMNGSA-N 341.798 3.828 0 1 EHAF Cc1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2n1 587043780 VATHFDDWTAHMMT-ZDUSSCGKSA-N 344.827 3.575 0 1 EHAF Clc1ccc(-n2cc(-c3nc4ccc(Cl)nc4[nH]3)nn2)cc1 587076810 UHNJHKIIEUTKBC-UHFFFAOYSA-N 331.166 3.512 0 1 EHAF CC(C)Oc1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587118296 LEKBFWQHCUFDMW-UHFFFAOYSA-N 338.333 3.808 0 1 EHAF FC(F)(F)c1nc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2[nH]1 587120823 WMCYYDSLKZGBCH-UHFFFAOYSA-N 338.680 3.520 0 1 EHAF O=C(O)c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1F 587152501 OSCXLJHSIALVAU-DTWKUNHWSA-N 332.281 3.950 0 1 EHAF Cc1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2n1 587225548 XSCZPSPBOBZVOQ-SFHVURJKSA-N 342.402 3.786 0 1 EHAF N[C@H]1CC[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587247281 XYVRGCLIERAXMP-XNCJUZBTSA-N 334.139 3.549 0 1 EHAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(F)cc(F)c3[nH]2)cn1 587247430 LKNAVAHNKFBKAU-UHFFFAOYSA-N 330.338 3.888 0 1 EHAF COc1cc2c3c(c1)O[C@@H](CCc1cccc(F)c1C)[C@@H](C2)C3=O 587424442 OGMRPDNOWSJWKT-WBVHZDCISA-N 326.367 3.892 0 1 EHAF O=C1C[C@@H]([C@H]2COC3(CCCCC3)O2)Oc2c1ccc1c2CCCC1 587532584 PHQUGNXLIKJZOB-RBUKOAKNSA-N 342.435 3.975 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N)c2)N1 587748167 VLHCOBIJADCCIS-QGHHPUGFSA-N 349.247 3.968 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(C)CC2)N1 587766170 GAKBPXAVQFPZAZ-HWPZZCPQSA-N 341.268 3.505 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)oc1C 587870372 GOEDWGJSODNHJU-UHFFFAOYSA-N 328.343 3.986 0 1 EHAF Cc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)cc1C 621430405 UYTJVONCZCONEU-HXUWFJFHSA-N 349.430 3.897 0 1 EHAF CCCn1cnc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962695812 FPFCOPYSPDWARB-IFXJQAMLSA-N 345.487 3.885 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc3cc(C)nn3c2)N1 962945668 JOYSDPFSYPAINV-AUUYWEPGSA-N 331.423 3.533 0 1 EHAF CCOc1cc([C@@H]2NCCc3c(C)ccnc32)ccc1OC(F)F 963067298 JBTZKHOKFVISFY-INIZCTEOSA-N 334.366 3.625 0 1 EHAF O=C1Nc2ccc(Nc3ccc(F)cc3)cc2[C@@]1(O)Cc1ccccc1 1857555002 HMBYRHLJLLWBES-NRFANRHFSA-N 348.377 3.952 0 1 EHAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)cc1 4053651 WNXOTSCXVRFWCT-UYAOXDASSA-N 336.435 3.990 0 1 EHAF CCN(CC)CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1cccnc1 22858990 ZLBQRZFRWCJAPS-QFIPXVFZSA-N 348.494 3.852 0 1 EHAF CN1CCc2cccc3c2[C@H]1Cc1c(Br)ccc(O)c1-3 27656786 YDXYUMUNNLVNQU-CQSZACIVSA-N 330.225 3.907 0 1 EHAF CC[C@@H](C)n1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 29571858 OQAURLNJGHHHBH-MGNMYUMUSA-N 339.483 3.967 0 1 EHAF COc1ccc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)c1 63540336 GPSRFACTNSQKSI-UHFFFAOYSA-N 347.378 3.552 0 1 EHAF CC[C@H](c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1 66077043 CBTBTGVOMAJKEB-LJQANCHMSA-N 337.471 3.650 0 1 EHAF C[C@@H](O)c1cccc(-c2ccc(C(F)(F)P(=O)(O)O)cc2)c1 96284996 KJBSNNYRQHXYKS-SNVBAGLBSA-N 328.251 3.634 0 1 EHAF Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCC[C@@H]2CN(C)C)[nH]1 100867706 WYYDPKCALLJLPC-QGZVFWFLSA-N 349.482 3.805 0 1 EHAF Cc1cc(NCCN2[C@@H]3CCC[C@@H]2CC3)nnc1-c1ccccc1O 100989456 JFRJXKLPHVKXSH-HZPDHXFCSA-N 338.455 3.586 0 1 EHAF CC1=C2CC/C(C)=C/CC[C@@]3(C)O[C@H]3CC[C@](C)(O)/C=C\2OC1=O 166393425 ISOHZXFJJWEPNL-XJWXHQANSA-N 332.440 3.953 0 1 EHAF O=C1[C@@H]2CCCN2[C@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 250233738 CGEDFDWQUDCEAB-IRXDYDNUSA-N 330.790 3.989 0 1 EHAF CCCCC[C@@H]1C=C[C@@H]2[C@H](O)CC(=O)[C@@H]2CC=CCCCC(=O)O1 253632387 BJXHXZDHQUYRMA-VXIBKDFQSA-N 334.456 3.731 0 1 EHAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccc2ccccc12 253633336 JKAFFXOGVDWHNS-WPTFBKPASA-N 333.431 3.879 0 1 EHAF COc1c(F)ccc(F)c1-c1nc2c(Br)ccnc2[nH]1 587133059 PAMCJIINZAEYKW-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF Fc1ccc(/C=C/c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(F)c1 587150705 TWEUHGHWPPFPAN-DUXPYHPUSA-N 326.228 3.772 0 1 EHAF Oc1cnc(Br)cc1-c1cc2c3c(cccc3n1)CC2 587209679 VYKPBDYZSVIMJI-UHFFFAOYSA-N 327.181 3.864 0 1 EHAF Nc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c2ccccc2c1 587252294 VTQIFPGULFJDDK-UHFFFAOYSA-N 328.375 3.850 0 1 EHAF CN(C)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332210 CQGRHGIHDSIAHA-ICSRJNTNSA-N 343.398 3.601 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc(C(=O)O)c1)O2 587378032 MAGDFGOPFJYBLX-HNNXBMFYSA-N 331.755 3.635 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc3c(s1)CCCC3)O2 587414621 NQALTTBKWWBZOR-GOSISDBHSA-N 328.437 3.793 0 1 EHAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1F 587423961 MDERAEUNFYUEPK-BFUOFWGJSA-N 328.339 3.722 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCCc4cccc(OC)c41)[C@@H](C2)C3=O 587441621 HXFLGQJOJHFDAE-BTYIYWSLSA-N 336.387 3.683 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](C(=O)c1ccc(F)c(F)c1)CC2=O 587465202 BVHFJBFPTLPFHA-QGZVFWFLSA-N 346.329 3.840 0 1 EHAF CN(C)/C=C/[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587512633 NTEVOKAZLAVVSV-VKXNWWILSA-N 348.446 3.896 0 1 EHAF O=C1C[C@H](c2cnc3c(c2)CCCO3)Oc2c1ccc1c2CCCC1 587523096 GLVCPPFUEWZCMY-LJQANCHMSA-N 335.403 3.992 0 1 EHAF O=Cc1ccc(OCCc2nc3cccc(Br)c3[nH]2)cc1 587566235 BPHYOCGFHWVCPP-UHFFFAOYSA-N 345.196 3.759 0 1 EHAF CC(C)O[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587598900 CCQXWDUYEKPDFJ-MBOZVWFJSA-N 340.375 3.680 0 1 EHAF CC[C@@]1(CSC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605395 CJRAAWWQFBDABZ-YJBOKZPZSA-N 330.405 3.866 0 1 EHAF C[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587819926 XGSFLYXRSBEMEG-KCWFYHRYSA-N 340.236 3.707 0 1 EHAF COc1cc(Cl)cc(Cl)c1-c1nnc(SCCC(=O)O)o1 1857553228 VYEQEOYERDQNCZ-UHFFFAOYSA-N 349.195 3.619 0 1 EHAF CCc1ccc(Nc2n[n+](C)c(-c3ccc(C(=O)O)cc3)s2)cc1 12510170 SVBFNFGWGBJMCY-UHFFFAOYSA-O 340.428 3.639 0 3 EHAF CCOC(=O)C1(Cc2ccccc2)C=CN(C(=O)c2ccccc2)C=C1 401423 GNDDPDFKVFHWIR-UHFFFAOYSA-N 347.414 3.962 0 1 EHAF CN(CCCOc1ccc(Cc2cccs2)cc1)CCC(=O)O 1544407 GMDFARFIYKWUOZ-UHFFFAOYSA-N 333.453 3.514 0 1 EHAF COc1ccc2cc(O)c(C(=O)Nc3ncc(Cl)s3)cc2c1 6484991 IOUXFXPPOMBHFD-UHFFFAOYSA-N 334.784 3.916 0 1 EHAF CCn1c(C(=O)O)c(CNCc2ccc(OC)cc2)c2ccccc21 6803249 BBRSIWLBBMRBQZ-UHFFFAOYSA-N 338.407 3.658 0 1 EHAF O=C(c1ccccc1)N1CC[C@H]2CC(=O)N(c3ccccc3)CC[C@H]2C1 15672945 IGSJJFCPMNBVTR-OALUTQOASA-N 348.446 3.592 0 1 EHAF biogenic CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 64448625 LBBBRPSDINTRFT-UHFFFAOYSA-N 339.483 3.519 0 1 EHAF CCC(CC)c1nc2c(NCC(C)C)ncnc2n1C[C@@H]1CCCO1 82178160 QOBXDZJFWUYLEI-HNNXBMFYSA-N 345.491 3.977 0 1 EHAF Cc1cnc(N2CCSCC2)nc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 82202598 NCNIQPVXMZBBAY-UKRRQHHQSA-N 334.533 3.965 0 1 EHAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccc2ccccc12 100817156 JKAFFXOGVDWHNS-UIKSIQRRSA-N 333.431 3.879 0 1 EHAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1 103538613 RPAFKVFUJPYXMY-OAHLLOKOSA-N 342.424 3.680 0 1 EHAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(C)cc1 104115507 OOTLIMMEFWRNNJ-SCDSTIRESA-N 326.400 3.868 0 1 EHAF COc1ccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)cc1 165434846 BHCICEQMPOQDHS-UHFFFAOYSA-N 340.408 3.535 0 1 EHAF O=C(O)c1cccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587080147 KYCAYTJJFLVOAC-UHFFFAOYSA-N 325.755 3.918 0 1 EHAF FC(F)(F)[C@@](F)(Cl)c1nc2cc(Br)cnc2[nH]1 587089743 HDGDDYKWOQJYKF-SSDOTTSWSA-N 332.482 3.644 0 1 EHAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(F)F 587383946 XUGZYZAKYNQLKY-OAHLLOKOSA-N 349.333 3.894 0 1 EHAF COc1ccc(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587401864 ZJFNIQMKLLTJNV-FQEVSTJZSA-N 341.407 3.561 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2nc[nH]c21 587488051 XNZREZLTFCYYCU-HXUWFJFHSA-N 340.423 3.901 0 1 EHAF Cn1nnc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587517376 MCLMPORASIQXQH-IBGZPJMESA-N 333.391 3.554 0 1 EHAF Cc1[nH]c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O 587523061 GJJFCNDCGJHUBF-QGZVFWFLSA-N 325.364 3.607 0 1 EHAF O=C(Nc1ccc2c(c1)OCO2)n1nc2cc1Oc1ccc(F)cc1-2 587874469 BVIGANOXNRKZIP-UHFFFAOYSA-N 339.282 3.604 0 1 EHAF CC/C=C(/NOCC)C1C(=O)CC(C[C@@H](C)SCC)CC1=O 957848324 ZMUMVIYLLGLWQZ-CNLYNOOLSA-N 327.490 3.518 0 1 EHAF Cc1cc2c(cc1F)[C@](C)(c1ccc3c(c1)C(C)(C)C(=O)N3)NCC2 962376488 PPMBLNIDFMJRTA-NRFANRHFSA-N 338.426 3.773 0 1 EHAF COc1cc2c(cc1OC)[C@](C)(c1ccc(C=O)cc1)N(C)[C@@H](C)C2 962577420 YOGNWIBIRASCKA-QKKBWIMNSA-N 339.435 3.656 0 1 EHAF C[C@]1(Cc2c[nH]c3ccccc23)c2ccsc2CCN1C(N)=O 962714044 QMECUVPKORUYIP-SFHVURJKSA-N 325.437 3.624 0 1 EHAF CC(C)(c1ccccc1)[C@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962903544 MNMCIVDHHHEGNP-OXJNMPFZSA-N 327.399 3.618 0 1 EHAF CC1([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)COC1 963818831 UCCYDBKCKZIIAY-OAQYLSRUSA-N 348.446 3.970 0 1 EHAF CNCc1cccc(-c2cncc(CCc3cc(C)cc(N)n3)c2)c1 1772627401 MGNVQSKYSZRQCR-UHFFFAOYSA-N 332.451 3.539 0 1 EHAF CCNC(=S)NC[C@@]1(C)CCc2ccc3ccc(OC)cc3c21 1857769598 SXUXOPPLFBRFMC-LJQANCHMSA-N 328.481 3.536 0 1 EHAF O=C1c2ccccc2[C@H](c2nc3ccccc3[nH]2)N1Cc1ccco1 199396643 KUAYRWIQRMLROO-GOSISDBHSA-N 329.359 3.901 0 3 EHAF O=C1NC(Nc2ccccc2)=N/C1=C\c1c(Cl)cccc1Cl 5596916 KTBPRJSAQNVVMB-ZROIWOOFSA-N 332.190 3.932 0 1 EHAF CC1(C)C=Cc2c(ccc3c2OC[C@@H](c2ccc(O)cc2O)C3=O)O1 13416214 SFIMWOHAIWWSQJ-HNNXBMFYSA-N 338.359 3.641 0 1 EHAF biogenic CC(C)Oc1c(-c2ccccc2)oc2c(CC(=O)O)cccc2c1=O 27197847 QFOWOAQSCBPJDZ-UHFFFAOYSA-N 338.359 3.874 0 1 EHAF CCN(CC)c1ccc(NC(=O)[C@H]2CCc3cccc(O)c3C2)cc1 28350781 CCGQQLNYYDMYKY-INIZCTEOSA-N 338.451 3.982 0 1 EHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccco3)cc2)C[C@@H]2CC[C@H]1N2C 28565873 JHSDPTHVDPIYLW-DODZYUBVSA-N 325.408 3.686 0 1 EHAF C[C@@H]1SC2=N[C@@H]3c4ccccc4CC[C@H]3N2[C@@]1(O)c1ccccc1 28769193 GASCQHZZZZWUTG-QHMHNIQBSA-N 336.460 3.695 0 1 EHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@@H](C2)[C@@H]1CCC(=O)C3 29251327 NNUUOAQJUHMLDS-ILWGZMRPSA-N 339.479 3.733 0 1 EHAF C[C@@H](C(=O)N(C)C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40499122 DVZKXLYXWWQKDT-SNPRPXQTSA-N 331.481 3.973 0 1 EHAF CC(C)CCc1noc(-c2cc3c(CCN(C)C)cccc3[nH]2)n1 40566156 BMANQFPWOFGESP-UHFFFAOYSA-N 326.444 3.911 0 1 EHAF N=C(N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)N)cc3)cc2)cc1 40865863 GACRELNDQRIYMT-UHFFFAOYSA-N 344.422 3.631 0 1 EHAF N=C(NC=C(c1ccccc1)c1ccccc1)NCCCc1c[nH]cn1 43072720 LLFVTPXUSSZUQB-UHFFFAOYSA-N 345.450 3.546 0 1 EHAF Cc1ccc(Nc2nccc(NC[C@H](O)c3cccc(C)c3)n2)cc1 45202117 BPYMCSAAQSNAPH-SFHVURJKSA-N 334.423 3.983 0 1 EHAF COc1cccc(-c2nc3c(NCc4ccncc4)nccc3[nH]2)c1F 64448210 OOPCYLOAZARRAE-UHFFFAOYSA-N 349.369 3.780 0 1 EHAF Brc1ccc2c(c1)ncc1nc(-c3cccnc3)[nH]c12 82158380 IFOXAEYGLHGFBD-UHFFFAOYSA-N 325.169 3.936 0 1 EHAF c1ccc(CN2CCC[C@H](n3cnc4cnc5[nH]ccc5c43)C2)cc1 95577137 JKBCOYYDLUKZLA-INIZCTEOSA-N 331.423 3.750 0 1 EHAF N[C@@H]1CCC[C@@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)C1 144955534 VNIWTXNUFSBXML-HUUCEWRRSA-N 341.846 3.732 0 1 EHAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H]2C[C@@H](O)[C@H]1CC=CCCCC(=O)O2 253633010 KBFCVOAVUKWCPS-WHMOZFKKSA-N 336.472 3.523 0 1 EHAF CCCCC[C@@H]1C=C[C@@H]2[C@H](O)C[C@H](O)[C@@H]2CC=CCCCC(=O)O1 253693037 UTLCNJREJFJDLH-ZSXDVEMLSA-N 336.472 3.523 0 1 EHAF Cc1cncc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587017834 QTKPVHSKVWIMFJ-UHFFFAOYSA-N 334.404 3.992 0 1 EHAF COC(=O)c1ccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2c1 587201934 ZLDMHZIAIWMVLD-UHFFFAOYSA-N 339.395 3.705 0 1 EHAF Oc1nc(O)c2cc3c(nc2n1)[C@H](c1ccc(C(F)(F)F)cc1)CC3 587367923 AOSOVIKVUPGOPY-NSHDSACASA-N 347.296 3.533 0 1 EHAF Cc1cccc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587391434 UADZUXNQKUXABC-FQEVSTJZSA-N 338.407 3.638 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1cc4c(s1)CCC4)[C@@H](C2)C3=O 587450565 GGHOJZSBQBDIOQ-DJJJIMSYSA-N 326.417 3.908 0 1 EHAF O=C(NCCCCc1ccccc1)n1c(=O)oc2ccc(Cl)cc21 653810948 RTAZKFDBPYGYCC-UHFFFAOYSA-N 344.798 3.829 0 1 EHAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(Cc1cccnc1)C(C)C 963611222 QNUUCVYPGNGIME-VFNWGFHPSA-N 340.467 3.727 0 1 EHAF CCCNC(=O)NC[C@]1(C)CCc2ccc3ccc(OC)cc3c21 1857653410 DYWVNNDLZNHEAD-FQEVSTJZSA-N 326.440 3.762 0 1 EHAF CCCCCC[C@H](C)C=C(C)[C@@H]1OC(=O)C(=CCC(=O)O)C[C@H]1O 2356439628 XMARGTUPGWFYOK-XCRHUMRWSA-N 338.444 3.617 0 1 EHAF CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@@H](C(=O)OC)C1)[C@@H]32 2356397625 OUVARUOEIMIVLD-QFUCXCTJSA-N 336.435 3.625 0 1 EHAF CC(=O)c1ccccc1N[C@H](C(N)=O)c1c(Cl)cccc1Cl 3832009 KJBHPOYDJIZPJP-HNNXBMFYSA-N 337.206 3.835 0 1 EHAF CC[C@@H](Cc1ccccc1)NC(=O)C1=C(C)C(=O)OC12CCCCC2 6772417 KXKPUPRBXRJHQZ-KRWDZBQOSA-N 341.451 3.700 0 1 EHAF CC(=O)N1CCC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26944173 PAPPHBRFOXAGKW-GMSFPVLESA-N 333.516 3.991 0 1 EHAF O=[S@@](CCCCCc1ccccc1)c1nnc(-c2ccccn2)o1 28352916 UTMOIPHAMPLBPE-XMMPIXPASA-N 341.436 3.652 0 1 EHAF Nc1ccc2cc(CCC(=O)Nc3ccccc3C(=O)O)ccc2c1 35978829 YAFVCQKJCASWOT-UHFFFAOYSA-N 334.375 3.692 0 1 EHAF Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@@H]3O 6069623 VFKOXOKVQKGOTG-UVWXRNBGSA-N 342.391 3.736 0 1 EHAF biogenic Fc1cccc(CNc2ncnc3c2cnn3CCc2ccccc2)c1 72124430 OBXCVSNLDISGTK-UHFFFAOYSA-N 347.397 3.820 0 1 EHAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(C)CC1 33827810 PYKAQPRNSUKHBV-UHFFFAOYSA-N 344.459 3.832 0 1 EHAF CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(F)cc1 40379210 YGUOPDGSSBTXSR-SFHVURJKSA-N 326.371 3.922 0 1 EHAF CC(C)c1cc(=O)[nH]c(-c2ccccc2CN2CCCCCC2)n1 48306499 LTLFCTYUGPUFTP-UHFFFAOYSA-N 325.456 3.936 0 1 EHAF Cc1cc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)nc(C)n1 40405182 VAKXHUIAOKGKTG-DKENDCILSA-N 343.496 3.716 0 1 EHAF COC(=O)CC=C[C@H](C)[C@@H](OC)c1ccccc1Br 1857622787 WPCOPGOEBYZGMO-XHDPSFHLSA-N 327.218 3.892 0 1 EHAF Cc1[nH]n(-c2nc3ccc(F)cc3s2)c(=O)c1-c1ccccc1 43199960 PBYCPTODWNPBCX-UHFFFAOYSA-N 325.368 3.890 0 1 EHAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cn1 142739673 RTWUNZWFOJZDPG-SECBINFHSA-N 343.185 3.611 0 1 EHAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2)n1 142142068 CUTPLPKYQGWUBC-UKRRQHHQSA-N 326.400 3.631 0 1 EHAF CCCNCc1ccc(-c2cc3[nH]cc4c(O)nnc(O)c(c2)c34)cc1 473081393 CGZHCBPBPMDDBM-UHFFFAOYSA-N 348.406 3.689 0 1 EHAF c1cncc(-c2ncc3c(n2)CCc2c-3nc3cccc4c3c2CC4)c1 587211986 JZDHLDRDYMHGKB-UHFFFAOYSA-N 336.398 3.951 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H]1CCOC1)(c1ccccc1)O2 587407856 FERDLNXGVDVFCW-VFNWGFHPSA-N 337.419 3.865 0 1 EHAF COc1ccc([C@@H](O)[C@@H](C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 587938711 ZDQXJNALIJITMF-BMIGLBTASA-N 331.803 3.765 0 1 EHAF O=C(CCc1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587953573 MQJLNVGFOIAOEU-UHFFFAOYSA-N 330.290 3.700 0 1 EHAF Cc1c(Cl)ccc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc12 586950461 HUPAVEMVJZVVQL-UHFFFAOYSA-N 335.816 3.563 0 1 EHAF COCC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096184 HQTPNVLJAYICBG-UHFFFAOYSA-N 331.371 3.513 0 1 EHAF COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 587149919 ISUOTOJVQMIXLE-SECBINFHSA-N 332.306 3.768 0 1 EHAF CSCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612255 IZUMUQGHQZKPDK-CRAIPNDOSA-N 330.405 3.866 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnsc2)N1 587859955 ZFZBYTOEJCRMAU-UHLUBPPHSA-N 327.222 3.668 0 1 EHAF COc1cc2c3c(c1)OC1(CCC(C(F)(F)F)CC1)[C@@H](C2)C3=O 587421272 JPVPSCRPKAEJMH-YWFMTQBDSA-N 326.314 3.934 0 1 EHAF N[C@H](c1ccsc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587025191 IXCJIUGGDSFNBO-SNVBAGLBSA-N 344.184 3.713 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3cnccc3nc1C)O2 587395345 QBKQNZQHWMIZLX-HXUWFJFHSA-N 333.391 3.709 0 1 EHAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 586888311 JQNNUYHRKHNVGU-HXPMCKFVSA-N 335.407 3.593 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCC=CO2)N1 587830846 FXGZFXKUTULYGM-ZWZTZDBGSA-N 326.209 3.856 0 1 EHAF Cc1csc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587661608 PFPSNYSQHUNQHR-UHFFFAOYSA-N 337.379 3.957 0 1 EHAF COc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cn1 587028917 BKXRYYSONZSQJS-UHFFFAOYSA-N 338.392 3.669 0 1 EHAF N=c1[nH]ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587158943 TWKKRZRZVKEDSP-UHFFFAOYSA-N 332.338 3.656 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cc4nc(C)ccc4o1)[C@@H](C2)C3=O 587436775 SZIAEUREUSGVIL-RNODOKPDSA-N 335.359 3.808 0 1 EHAF CCN1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586988127 LFCFFAAZBNLBTR-UHFFFAOYSA-N 330.387 3.530 0 1 EHAF CCOC(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587084385 LGVZOHLJLDPFNE-UHFFFAOYSA-N 341.798 3.868 0 1 EHAF Cc1c(F)ccc2c1C1(NCC2)[C@H](C)[C@H]2CC(CO)C[C@@H](C2)[C@H]1C 962380654 XPQGQNHBGNYWAI-QAIPDVKVSA-N 331.475 3.786 0 1 EHAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1 1772634000 SEPHKODFYBTYDV-CQSZACIVSA-N 335.407 3.885 0 1 EHAF C=C1OC(=O)C=C1Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 1772575577 FQEMJEOPFHLSKR-UHFFFAOYSA-N 337.350 3.546 0 1 EHAF CCCN(CCc1cccnc1)C1Cc2cc(OC)c(OC)cc2C1 13471440 BGCJDPYLWUEEJR-UHFFFAOYSA-N 340.467 3.521 0 1 EHAF C[C@H]1[C@@H](NCc2cccs2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713409 XQCTZWTXRKREOD-QSOKESPWSA-N 332.513 3.798 0 3 EHAF CCCn1cc(-c2cc[nH]c(=N)n2)c2cc(Br)ccc21 1857536347 KJMHEHMLYXPUPQ-UHFFFAOYSA-N 331.217 3.683 0 1 EHAF O=C(CN(c1ccccc1)c1ccccc1)n1nnc2ccccc21 1633823 ZDNPIBGXEWTIJR-UHFFFAOYSA-N 328.375 3.910 0 1 EHAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4049874 FFEBFQZLVGUBTQ-NVXWUHKLSA-N 328.437 3.756 0 1 EHAF C[C@@H]1CC[C@]2(C)C(C(=O)O)=CC=C[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1 13402289 XVTYNOXQGXBEAH-LONLNUGOSA-N 330.424 3.889 0 1 EHAF biogenic Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 13553806 KXHHXRYTTZZJKH-UHFFFAOYSA-N 338.455 3.868 0 1 EHAF COc1cc2c(cc1C)NC(=O)/C2=C/c1c(C)nc2sc(C)cn12 28469303 GIBORWPONIETQM-AWNIVKPZSA-N 339.420 3.822 0 1 EHAF COc1cc2c(cc1OC)[C@@H](C[C@H](O)c1ccc(Cl)cc1)NCC2 28524255 PWAWBYGMUYUAIE-SJORKVTESA-N 347.842 3.668 0 1 EHAF Cc1noc(C23CCC(c4nnc5n4CCCCCC5)(CC2)CC3)n1 28563041 KICDTKNTZWAWJS-UHFFFAOYSA-N 341.459 3.630 0 1 EHAF COc1cccc(-c2noc3cc(-c4ccccc4)n(C)c(=O)c23)c1 45351850 ZWROSNGJNLMLTH-UHFFFAOYSA-N 332.359 3.869 0 1 EHAF C[C@H](Cc1ccc2c(c1)OCO2)[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 48998691 SDXLCXZRXWWAGW-IZDJOXEWSA-N 342.391 3.692 0 1 EHAF endogenous,in-man O=S1(=O)N=C(N(Cc2ccccc2)c2ccccc2)c2ccccc21 64573178 PUONBQOYARNQII-UHFFFAOYSA-N 348.427 3.842 0 1 EHAF C[C@@H](CCO)C(=O)CC[C@H](C)CCC[C@@](C)(O)CCC[C@@H](C)CO 64624816 KVWYIWRSDKQRFM-FTEYMNFISA-N 344.536 3.710 0 1 EHAF in-vitro O=C1NC(=O)[C@@H](c2ccccc2Cl)C[C@H]1c1ccccc1Cl 73197066 KKWIFGXARFNIBA-BETUJISGSA-N 334.202 3.907 0 1 EHAF O=C1CSC(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)=N1 73296105 QVXSGBCTYAQMEU-INIZCTEOSA-N 339.395 3.606 0 1 EHAF CCOC(=O)c1s/c(=N\c2ccccc2)n(-c2ccccc2)c1N 103199692 ZBAXXYJPOZOKKM-ZZEZOPTASA-N 339.420 3.530 0 1 EHAF Cn1cc(Cl)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21 145244497 HZDQWXQRWFHBHB-UHFFFAOYSA-N 343.814 3.706 0 1 EHAF C/C(=C\CO)CC[C@@H]1[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2CC[C@@]1(C)O 238747197 GFYNKSLVMQVEBT-WYWDUSSCSA-N 338.488 3.764 0 1 EHAF FC(F)(F)c1cc2nc([C@@H]3CCOC3)[nH]c2cc1Br 586912870 XBQMPXMDJWSWAG-ZCFIWIBFSA-N 335.123 3.848 0 1 EHAF Nc1c(-c2nc3ncc[nH]c-3n2)sc2cc(Br)ccc12 587030583 GALVSXZSILVUGG-UHFFFAOYSA-N 346.213 3.531 0 1 EHAF Fc1ccc(-c2cnn(Cc3nc4cc(Cl)ncc4[nH]3)c2)cc1 587165421 VBVHXNUJKWABDM-UHFFFAOYSA-N 327.750 3.662 0 1 EHAF COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1OC 587215017 YPKMCNAUPXOKMG-UHFFFAOYSA-N 349.386 3.645 0 1 EHAF COC(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587243915 UCBOYDZFYVTTGT-UHFFFAOYSA-N 339.351 3.570 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)cc1Br)O2 587377116 KYCWDPYAMDQNKK-OAHLLOKOSA-N 348.196 3.752 0 1 EHAF CC(C)(C)OC(=O)NCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511436 KQBHKKMRBJXUMC-AWEZNQCLSA-N 345.439 3.814 0 1 EHAF O=C1C[C@]2(CCC[C@H](C(=O)O)CC2)Oc2c1ccc1c2CCCC1 587529062 IIUPBBSTDKPQND-VBKZILBWSA-N 328.408 3.934 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1 587609683 OWVRYGPDFRIDNV-YLJYHZDGSA-N 334.327 3.801 0 1 EHAF CO[C@H](C)c1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2N)cc1 587649841 CNBOOZBHTPHZHQ-LLVKDONJSA-N 344.436 3.528 0 1 EHAF COc1ccc(C=O)c(-c2nc3c4c(ccc3[nH]2)CCCC4)c1OC 587789913 AXFXDIGFNXETIQ-UHFFFAOYSA-N 336.391 3.938 0 1 EHAF CC[C@]1([C@H]2CCOC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587837104 ZKCLASIRHBPISI-RSAASHCRSA-N 342.252 3.764 0 1 EHAF O=c1c2ccccc2nc(CCc2ccccc2)n1-c1cccc(O)c1 653876675 PLXRQJOGECGAON-UHFFFAOYSA-N 342.398 3.877 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)Cc3occ(C)c3C[C@@H]2[C@]1(C)O 2356672580 PWBVCFWIHKMIKC-CUDHKJQZSA-N 332.440 3.732 0 1 EHAF CC(C)=CCC[C@H](C)[C@H]1[C@H]2C(=CCC=C(C)C[C@H]1O)C(=O)O[C@H]2O 2356804837 ZLVXQIPQKMUARK-ZQAQGDRJSA-N 334.456 3.504 0 1 EHAF COc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)CN2C)c1 61942312 LRFIIFWKBHXICZ-IHPCNDPISA-N 338.451 3.601 0 3 EHAF CC(=O)OCC/C=C/C=C/C=C/CCc1ccc(OC(C)=O)c(O)c1 13339821 LWFIOBDHPWBWRA-OKWWDJPNSA-N 344.407 3.872 0 1 EHAF Cc1c(Cl)c(O)c(Cl)c2oc3cc(O)cc(O)c3c(=O)c12 13451805 DWLCZXVIDNNUAN-UHFFFAOYSA-N 327.119 3.678 0 1 EHAF biogenic COc1ccc(CCN2CCCC2)cc1OCCc1ccccc1 13795768 AFGQADKELTYBPU-UHFFFAOYSA-N 325.452 3.955 0 1 EHAF Cc1ccc(Cl)cc1NC(=S)NCC1(C(=O)O)CCCC1 26489697 WHLITCGDPKCDFA-UHFFFAOYSA-N 326.849 3.580 0 1 EHAF COc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 28389723 QCOFSGDFRQUSER-UHFFFAOYSA-N 347.353 3.539 0 1 EHAF CC[C@@H](C)Oc1ccccc1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2C 29561876 DMHVEJOTAOYRLU-WZYMTQMTSA-N 331.460 3.611 0 1 EHAF CC1(C)CCc2c(ccc3c2OC[C@H](c2ccc(O)cc2O)C3)O1 33831434 PMPYOYXFIHXBJI-CYBMUJFWSA-N 326.392 3.920 0 1 EHAF biogenic O[C@@]1(Cc2ccc3ccccc3c2)c2ccccc2C2=NCCCN21 34821443 CGNWISKVGHJHDK-QFIPXVFZSA-N 328.415 3.694 0 1 EHAF Cc1cccc(-c2ncn3c2Cn2ncnc2-c2cc(Cl)ccc2-3)n1 49089931 USGILMBYCWJAQO-UHFFFAOYSA-N 348.797 3.516 0 1 EHAF Clc1cc(N2CCNC[C@H]2Cc2ccccc2)cc2cc[nH]c12 53295140 QWWBXRLAEPLMHV-QGZVFWFLSA-N 325.843 3.842 0 1 EHAF N[C@@H]1CCc2c(-c3ccccc3)ccc(Br)c2CC1=O 72105180 PAUWBSFBGZAGSO-MRXNPFEDSA-N 330.225 3.501 0 1 EHAF O=C1OCC(Nc2ccccc2)=C1c1ccc(Br)cc1 72114889 JMIMWEZFNDGCCL-UHFFFAOYSA-N 330.181 3.829 0 1 EHAF C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 72135700 HABYHHAEXZCLGB-VNCFFDDESA-N 333.516 3.847 0 1 EHAF NC(=O)[C@H](Nc1ccccc1)c1ccccc1OCc1ccccc1 103262908 MYQAINVHTGAZET-HXUWFJFHSA-N 332.403 3.904 0 1 EHAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(F)cc1 104115619 OLNLCJCJVIWNNG-VZHUHSAUSA-N 330.363 3.699 0 1 EHAF O=C(Nc1cccc2c1C[C@H](O)C2)N[C@@H]1CC[C@@H](c2ccccc2)C1 169704864 YZQTXNNYKDDAPW-KBAYOESNSA-N 336.435 3.604 0 1 EHAF C/C(=C/CC/C(=C/CC/C(C)=C/CCC1=CC(=O)OC1)CO)CO 238781104 UVMQCFGEJNWYOG-NARCAAIFSA-N 334.456 3.614 0 1 EHAF CCOC(=O)c1cc2c3ccccc3n(Cc3ccncc3)c2cn1 473130121 JYSCFBWYTYFPQN-UHFFFAOYSA-N 331.375 3.810 0 1 EHAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)Sc3ncccn3)nc2c1 586962982 VXSTVCHLIIRFMT-MRVPVSSYSA-N 348.815 3.646 0 1 EHAF Clc1ccnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 587006299 DGESHZHGYVJIFP-UHFFFAOYSA-N 348.591 3.917 0 1 EHAF Cc1cc(Br)c2[nH]c(-c3cnc([C@H](C)O)s3)nc2c1 587021558 JALKTZBYKYUYLZ-ZETCQYMHSA-N 338.230 3.811 0 1 EHAF COC(=O)c1ccc2nc(-c3cc(NC(C)=O)ccc3Cl)[nH]c2c1 587049391 HUUOQZOXXTWCGX-UHFFFAOYSA-N 343.770 3.628 0 1 EHAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(C(F)(F)F)ncc2[nH]1 587058751 IYONOIIHFNJBBJ-JTQLQIEISA-N 340.736 3.873 0 1 EHAF CC(C)(C)[C@]1(CN)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333696 HWZAHCQALLEYKB-YLJYHZDGSA-N 343.398 3.634 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1cccs1)O2 587415380 ZOGPGUCCHHDJRX-CQSZACIVSA-N 325.393 3.735 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c(C)c(C(=O)O)c1C)CC2=O 587484538 PLBKEIZPAKNJGH-HNNXBMFYSA-N 343.379 3.694 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(=O)O)C(C)(C)C1)CC2=O 587488526 KJWLHXBYBXMSOI-XOBRGWDASA-N 346.423 3.960 0 1 EHAF CCn1cc([C@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587509895 YDHBOCZQPJXKMU-IBGZPJMESA-N 346.377 3.908 0 1 EHAF COC(C[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3)OC 587520914 GNRQOIHIGNIFSV-FQEVSTJZSA-N 332.440 3.934 0 1 EHAF C[C@@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576518 HDSZEJOZYMUDPP-RXVVDRJESA-N 347.370 3.851 0 1 EHAF C(=C/c1ccccc1)\COCc1nc2cc3c(cc2[nH]1)OCCCO3 587781358 UEWIJSOZZYFIPG-XBXARRHUSA-N 336.391 3.954 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC(=O)C2)N1 587818949 SYFMRDSXVOGYKP-MGPLVRAMSA-N 340.236 3.851 0 1 EHAF CC[C@@H]1CCC(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587822903 NIMUDUGYQFJXRT-YRXQGLPXSA-N 340.236 3.707 0 1 EHAF CC(C)COc1cccc(Oc2ccc3c(c2)n(C)c(=O)n3C)c1 653726588 VHGMYVXHAMPJTO-UHFFFAOYSA-N 326.396 3.704 0 1 EHAF Cc1cc2c(cc1F)[C@]1(NCC2)c2ccccc2[C@@H]2CN(C)CC[C@@H]21 962087092 CTHAXAJCKDKHTM-JLMWRMLUSA-N 336.454 3.572 0 1 EHAF CC1(C)CCc2ccccc2[C@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962909141 VZOPXKFRIMTFKH-GHTZIAJQSA-N 339.410 3.641 0 1 EHAF O=c1c(Cc2ccc(C(F)(F)F)cc2)coc2cc(O)cc(O)c12 1772646249 UBKIOUWBAAQTHR-UHFFFAOYSA-N 336.265 3.814 0 1 EHAF O=C1Nc2ccc(C(=O)c3ccco3)cc2/C1=C/c1cccc(O)c1 1857582140 VQSXBNOQKPNKMI-YBEGLDIGSA-N 331.327 3.709 0 1 EHAF O=C(CCCc1ccccc1)C(=O)NCCc1cccc(Cl)c1 1911579540 MJMUELXVFSQRCM-UHFFFAOYSA-N 329.827 3.591 0 1 EHAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccccc2C)cc1OC 1911581015 AFCMCSQXXPITQK-ZWKOTPCHSA-N 340.419 3.587 0 1 EHAF CCCCCC[C@H](C)C=C(C)[C@H]1OC(=O)C(=CCC(=O)O)C[C@H]1O 2356439625 XMARGTUPGWFYOK-FDQGKXFDSA-N 338.444 3.617 0 1 EHAF COc1ccc(C(=O)OCCCc2cc3ccccc3c(=O)o2)cc1 36388807 DSWZUQBLBLAURN-UHFFFAOYSA-N 338.359 3.591 0 3 EHAF COc1cccc(NC(=O)[C@@]2(C)CCN2Cc2ccccc2Cl)c1 61926361 DNOCMIGXXJLYHN-LJQANCHMSA-N 344.842 3.952 0 3 EHAF CSc1nnc2c(n1)O[C@H](/C=C/c1ccco1)Nc1ccccc1-2 86032 ZIXRBIBQIPHFCY-MYSGNRETSA-N 338.392 3.697 0 1 EHAF CCN(CC)C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 1370383 VBNOHHLYJMSZEV-RTBURBONSA-N 329.488 3.624 0 1 EHAF C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C(=O)c5[nH]ncc5C[C@]4(C)[C@@H]3CC[C@@]21C 5503637 JIKWZDFWABFBJE-HQKZSKEQSA-N 342.483 3.758 0 1 EHAF Cc1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528570 XHLMYDVGYNUWBV-UHFFFAOYSA-N 340.400 3.686 0 1 EHAF CCCCC(=O)NC[C@H]1CCCc2c1c1cc(OC)ccc1n2C 13777794 FBAYSUPNUJMWMO-CQSZACIVSA-N 328.456 3.913 0 1 EHAF CCOc1cc2c(cc1O)CC(=O)C[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 26476194 SOIPLRPHJHQQGL-QFTGIQBFSA-N 344.451 3.577 0 1 EHAF CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(O)c3CC[C@@H]21 45392051 RANYBZPZDFYJIV-QFBILLFUSA-N 329.827 3.686 0 1 EHAF C[C@@H](Nc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O 53113500 RPWNINZUYDYGJO-SNVBAGLBSA-N 343.770 3.961 0 1 EHAF COc1ccc(-c2nc(CNc3cc(C(C)(C)C)nn3C)co2)cc1 72183540 LKASWQYHUANXCF-UHFFFAOYSA-N 340.427 3.993 0 1 EHAF COc1ccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)cc1F 95586979 WSSHTSUKUMQTAC-UHFFFAOYSA-N 340.358 3.546 0 1 EHAF O=C1N(c2ccccc2)c2[nH]c(=S)sc(=O)c2[C@@H]2CCCN12 103152751 JGTADICMUHFTMC-JTQLQIEISA-N 331.422 3.574 0 1 EHAF C[C@@H]1CCc2c1nn(C)c2C(=O)NCc1ccc(C(C)(C)C)cc1 103183784 BQEMKYJJYVNLQD-CYBMUJFWSA-N 325.456 3.697 0 1 EHAF c1ccc(-n2cc(-c3nn[nH]n3)c(-c3cccc4ccccc34)n2)cc1 103195355 CHGXAZPUAYTTPS-UHFFFAOYSA-N 338.374 3.873 0 1 EHAF Cc1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1 142052700 BSFJYIVEYPNGOB-GOEBONIOSA-N 340.427 3.939 0 1 EHAF O=C(Cc1cccc(Cl)c1Cl)N[C@H]1CCOc2ncccc21 146493866 PCXILVJQIZTPHE-ZDUSSCGKSA-N 337.206 3.571 0 1 EHAF C[C@@]12CC[C@@H](O1)c1c2c(O)n(-c2cccc(C(F)(F)F)c2)c1O 169727176 YBLBQJOVMZSVSV-BMIGLBTASA-N 325.286 3.988 0 1 EHAF Cc1cc(-c2n[nH]c3cc(NC(=O)Nc4ccccc4)ncc23)ccn1 205450691 NKFWOZOSXKBWDP-UHFFFAOYSA-N 344.378 3.972 0 1 EHAF C[C@H]1OC(=O)[C@@]23CC[C@@H]4[C@H](CC=C5C[C@@H](O)CC[C@]54C)[C@H]2CC[C@H]13 299808286 ODNGPDQXZHFBIW-VTANYFAMSA-N 330.468 3.852 0 1 EHAF CNCc1cc(-c2ccccc2)c(S(=O)(=O)c2ccccc2)s1 299870440 WGVZTRYSEUKMQL-UHFFFAOYSA-N 343.473 3.967 0 1 EHAF C[C@@H](Sc1ncccn1)c1nc2ccc(Br)cc2[nH]1 586963021 WRLXHLOWYWFGKZ-MRVPVSSYSA-N 335.230 3.969 0 1 EHAF O=C1c2ccccc2-c2c(C[C@@H]3CCOC3)cnc3ccc(O)c1c23 586992861 ZBOHVFCLSKLZPW-LBPRGKRZSA-N 331.371 3.731 0 1 EHAF COc1cc(OC)c2[nH]c(-c3cc(Cl)c(O)c(OC)c3)nc2c1 587045891 IMGCSYSWUHMGIO-UHFFFAOYSA-N 334.759 3.615 0 1 EHAF COC(=O)c1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cn1 587131992 YWNJNDCWBOWHDK-UHFFFAOYSA-N 343.333 3.626 0 1 EHAF Cc1c(-c2nc3ccc(C(=N)N)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166315 QMIVSPLIUNIZAW-UHFFFAOYSA-N 347.397 3.967 0 1 EHAF COc1ncc(F)cc1-c1nc2c(F)c(Br)ccc2[nH]1 587176124 OEEWWGBWVKDLBT-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF N=c1cc(-c2nc3ccc(Br)cc3[nH]2)c2ccccc2[nH]1 587254793 ZTQBEKYAVWNCKQ-UHFFFAOYSA-N 339.196 3.953 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccccc3C)c1)O2 587392364 SZCNQDOJORLQNK-IBGZPJMESA-N 333.391 3.778 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccccc3C)c1)O2 587392915 XMDYQYCGULTWSP-NRFANRHFSA-N 347.418 3.952 0 1 EHAF COc1ccc(CC[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441514 HHXFXBSCLCTUGG-DYESRHJHSA-N 338.403 3.843 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C[C@@H]1N=O 587470913 WXDGDUWXGIZBBP-AZUAARDMSA-N 337.375 3.897 0 1 EHAF CN(C)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536597 XHUNJRPEMTYNFY-HNNXBMFYSA-N 328.437 3.794 0 1 EHAF Oc1nc(O)c2cc3c(nc2n1)-c1ccccc1[C@H]3c1ccccc1 587562402 ZMKBWRXXXJMIDH-MRXNPFEDSA-N 327.343 3.597 0 1 EHAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccccn1 587657426 WNTPCSKCJAJFQH-UHFFFAOYSA-N 335.313 3.726 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1scnc1C 587872493 LVKRUDRDONKYSI-UHFFFAOYSA-N 331.372 3.541 0 1 EHAF Cc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)n(C(F)F)n1 587873734 IKPPKNHTXXTRAD-UHFFFAOYSA-N 334.257 3.383 0 1 EHAF COc1ccc([C@H](O)[C@@H](C)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 587938713 ZDQXJNALIJITMF-MEBBXXQBSA-N 331.803 3.765 0 1 EHAF CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 957605603 IJLKMWOHASEYKD-WBVHZDCISA-N 342.778 3.821 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCC3=C2CCC(=O)N3)N1 962955134 RUZRTBLJYIOSIB-ASSNKEHSSA-N 335.451 3.636 0 1 EHAF CN1CCc2c(Br)cccc2[C@@H]1c1ccc2nccn2c1 963269358 IQAKKIAKIYAPQI-KRWDZBQOSA-N 342.240 3.674 0 1 EHAF CSc1nccc(Sc2n[nH]c(-c3cc(C)cc(C)c3)n2)n1 1857562811 JNQGXWIOPHXSJY-UHFFFAOYSA-N 329.454 3.752 0 1 EHAF CS(=O)(=O)Nc1ccc(-c2ccc(Cl)cc2)c2cccnc12 1857564423 PRURIOCGRJUOQR-UHFFFAOYSA-N 332.812 3.927 0 1 EHAF 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349.390 3.786 0 1 EHAF CC(=O)N[C@H](CC(=O)c1ccccc1)c1cccc(Br)c1 72114734 LFJIEPKVRUAPGF-MRXNPFEDSA-N 346.224 3.899 0 1 EHAF COc1ccc(-c2nc(CNCCc3cccc(OC)c3)co2)cc1 72183003 BLMJDGJCDXXTIJ-UHFFFAOYSA-N 338.407 3.691 0 1 EHAF CC(C)(C)n1nc(Cc2ccc(F)c(Cl)c2)c2c(N)ncnc21 95584673 FOHYWRFSSYKEMV-UHFFFAOYSA-N 333.798 3.547 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(SC(C)C)cc2)C[C@@H]2CC[C@@H]1N2C 101281163 ICUSSYNHQDIHBC-RANZSIQMSA-N 333.497 3.926 0 1 EHAF O=C(O)c1csc(-n2nc(-c3ccsc3)c3ccccc32)n1 103254828 CXXPJEFHYWXUSA-UHFFFAOYSA-N 327.390 3.909 0 1 EHAF CN1CC[C@@H](C(=O)c2cncc(-c3cccc4ccccc34)c2)C1=O 205750936 DPKXAAMNOXNCKV-IBGZPJMESA-N 330.387 3.563 0 1 EHAF OCc1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 586895298 DHWJDMMTGMRCNG-UHFFFAOYSA-N 343.255 3.771 0 1 EHAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(C)c(C)cc2[nH]1)C(C)C 586932863 KCPBIISBQPONEB-MRXNPFEDSA-N 337.489 3.596 0 1 EHAF O=C(O)c1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1F 587036663 IXJNOGBCRWIDGG-ZDUSSCGKSA-N 334.397 3.840 0 1 EHAF 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328.755 3.541 0 3 EHAF CC[C@H](C)CN1C(=O)CSC[C@@]1(C)C(=O)Nc1c(C)cccc1C 199231816 GAOWONUXEUPBAE-DJJJIMSYSA-N 348.512 3.622 0 3 EHAF CCN1c2ncccc2N(C)C(=S)c2sc3cccnc3c21 6762 YRSMQXBXGMENSN-UHFFFAOYSA-N 326.450 3.975 0 1 EHAF investigational CC[C@@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@H]2CC[C@H](C1)N2C 3644871 WTPAXDRULIZRDJ-CKEIUWERSA-N 337.847 3.666 0 1 EHAF O=C(Nc1ccccn1)[C@@H]1C(=O)N2c3ccccc3Oc3cccc1c32 3797693 PNZFVYZPJVAKBP-QGZVFWFLSA-N 343.342 3.588 0 1 EHAF O=c1cc(N2CCOCC2)oc2cc(-c3ccc(Cl)cc3)ccc12 13677163 IBGCWGIUKQBFKV-UHFFFAOYSA-N 341.794 3.950 0 1 EHAF c1cc(NC2=NCCN2)ccc1Cc1ccc(OC2CCCC2)cc1 26004342 YDNNLWHCIDLUFN-UHFFFAOYSA-N 335.451 3.970 0 1 EHAF C[C@H]1CC(=O)NN=C1/C=C/c1ccc(-n2cnc3ccccc32)cc1 27101743 JNFLCAMWIQJFDB-ZHZWZMEUSA-N 330.391 3.551 0 1 EHAF COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@H]2CC=C[C@H]21 36381667 KKBJCVBSAUGNEH-GSZYYRFFSA-N 328.383 3.912 0 1 EHAF COc1ccc(C(=O)CCc2ccccc2)cc1O[C@@H]1CCOC1 40393178 DIDMAXDCPLPGMV-QGZVFWFLSA-N 326.392 3.678 0 1 EHAF 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COc1ccc2c(c1)CCN(CC[C@H](F)Cc1ccccc1)C[C@H]2O 1857572188 QOXHLGKIGZMADX-GHTZIAJQSA-N 343.442 3.558 0 1 EHAF COc1cc(C[C@@H](C)[C@H](C)Cc2cc3c(cc2O)OCO3)ccc1O 2356393244 DIADZLCOROOTGN-CHWSQXEVSA-N 344.407 3.893 0 1 EHAF C[C@@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)NC1CCCCC1 2356571533 UFZANPJUUMIVAM-LLVKDONJSA-N 332.375 3.597 0 1 EHAF CC[C@H]1CCCCN1C(=O)Cn1c(C(=O)OC)cc2sc(C)cc21 6820534 PSGUDKJFXUPARZ-ZDUSSCGKSA-N 348.468 3.589 0 1 EHAF COC(=O)C/C=C/[C@@H](C)[C@H](OC)c1ccccc1Br 7992083 WPCOPGOEBYZGMO-UUILKCMMSA-N 327.218 3.892 0 1 EHAF COc1cc(NC2=NC[C@H](c3ccccc3)O2)ccc1-c1cnco1 13860203 XEVVOUFGAKOLCF-QGZVFWFLSA-N 335.363 3.890 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ccncc2)/C1=C(\O)OC1CCCC1 27558753 AIWPYENYTPMLDC-YWJBVVMDSA-N 343.383 3.877 0 1 EHAF COc1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1 33891511 XYMLLIYELMKAQS-UHFFFAOYSA-N 345.406 3.553 0 1 EHAF COc1ccc(-c2noc(C3CCNCC3)n2)cc1OC1CCCC1 43009564 KJQGYDZGHIUKBB-UHFFFAOYSA-N 343.427 3.534 0 1 EHAF Cn1cc(-c2cccc(-c3ccccc3C(F)(F)F)c2)nc1C(N)=O 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CIUZTBJZAMUYJU-QAQGGTBJSA-N 334.500 3.710 0 1 EHAF CC(C)N1Cc2cc(-c3cc(-c4cccnc4F)no3)ccc2C1=O 299859286 WKVCEOTWTKAMMD-UHFFFAOYSA-N 337.354 3.907 0 1 EHAF CNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 584630227 SUDVYQIKYQRYDA-UHFFFAOYSA-N 347.296 3.801 0 1 EHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cncc(Cl)c2[nH]1 586963908 RVHULNYGKQVIOS-SNVBAGLBSA-N 335.820 3.659 0 1 EHAF Clc1ccccc1NCc1nc2ccc(Br)nc2[nH]1 587060274 JALAFKFALLVINS-UHFFFAOYSA-N 337.608 3.986 0 1 EHAF Clc1ccccc1NCc1nc2cc(Br)ncc2[nH]1 587060909 WCNLBKNRNJUHHA-UHFFFAOYSA-N 337.608 3.986 0 1 EHAF Cc1ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1C 587194228 OMCCHXAIKATQJD-HNNXBMFYSA-N 346.475 3.697 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H]1CCOC1)(c1ccccc1)O2 587407854 FERDLNXGVDVFCW-QVKFZJNVSA-N 337.419 3.865 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c(C)c(C=O)c4ccccn14)[C@@H](C2)C3=O 587437001 XBRADJIHWSJIJI-LHSJRXKWSA-N 347.370 3.558 0 1 EHAF C[C@@H]1C[C@@]2(CC[C@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 587530903 WLIJOZSMVISGHD-ZGLRSVDFSA-N 328.408 3.790 0 1 EHAF C[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608064 JFYNOXGBNCXEDI-YLJYHZDGSA-N 340.375 3.539 0 1 EHAF CC1(C)CCO[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616658 LQUHMKCTGXHHQY-AYOQOUSVSA-N 340.375 3.538 0 1 EHAF Cc1cc2c(cc1F)[C@@H](c1ccc3c(c1)CCC31OCCO1)NCC2 962092035 LMJFFOAJOBDKGR-HXUWFJFHSA-N 339.410 3.515 0 1 EHAF CC1C[C@@H]2CC3(C[C@H]2C1)c1c(Cl)ccc2c1CCN3[C@H]2C(=O)O 962575807 SHRSMTVWHKDLGE-GICOSKMISA-N 331.843 3.989 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3ncnc(O)c3c2)N1 962959973 VOZCZRSOJAPINH-YJYMSZOUSA-N 344.418 3.830 0 1 EHAF Oc1ccc2c(c1)[C@@](c1ccncc1)(c1cccc(Cl)c1)NCC2 963353013 OQIFPRJOZNUWQV-HXUWFJFHSA-N 336.822 3.878 0 1 EHAF Oc1cccc([C@@]23CCC[C@@H]([C@@H]2O)N(C/C=C/c2ccccc2)CC3)c1 1772589587 YZGXFLYQBFUCHR-YXCCLQORSA-N 349.474 3.963 0 1 EHAF Cc1ccc2nc([C@](O)(c3ccccc3)c3ncccc3F)n(C)c2c1 1857615084 UOJLTUAOVMKKQO-NRFANRHFSA-N 347.393 3.700 0 1 EHAF CCCCC(=Cc1coc2nc(=N)[nH]c(N)c12)c1ccccc1OC 1857621787 OJEFVGFDNJBOHB-UHFFFAOYSA-N 338.411 3.957 0 1 EHAF O=C(Nc1c2c(cc3c1CCC3)CCC2)NC1(c2ccccc2)COC1 1911579035 FNBOUVKBOOMGBJ-UHFFFAOYSA-N 348.446 3.711 0 1 EHAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@]1(C)[C@H](CCC[C@@]1(C)O)C2=O 2356439958 JAUSPTWEASSNRQ-RHMWYWNKSA-N 348.439 3.972 0 1 EHAF O=C(NC[C@H]1CCCO1)c1cc2cc3ccc(Cl)cc3nc2o1 429166 AJEPZSIRSAIORJ-CYBMUJFWSA-N 330.771 3.543 0 1 EHAF N[C@H](CCCCC[P@@](=O)(c1ccccc1)[C@@H]1C=CC=CC1)C(=O)O 1856294 MPRXIYJLNGKBGR-QZTZHPFYSA-N 347.395 3.532 0 1 EHAF CC(C)c1ccc(NS(=O)(=O)c2ccc3nc(O)sc3c2)cc1 2461453 QVVMRPPQPFWFPP-UHFFFAOYSA-N 348.449 3.926 0 1 EHAF CCCn1c2c(ccc1=O)[C@H](NCCc1c[nH]c3ccccc13)CCC2 13743265 JCHORQAJWHWKAC-HXUWFJFHSA-N 349.478 3.949 0 1 EHAF CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C\C[C@@H]21 26028980 ZVWMOTMHZYWJPF-DCCGFWISSA-N 336.472 3.523 0 1 EHAF CN(C)C[C@@H](c1cccc(Br)c1)C1(O)CCCCC1 26739464 GGTQWEXXJQVGJS-HNNXBMFYSA-N 326.278 3.790 0 1 EHAF C1=C(c2ccccn2)CC[C@H](CCN2CCN(c3ccccn3)CC2)C1 27715200 KTGXACIWWLVCPX-LJQANCHMSA-N 348.494 3.872 0 1 EHAF in-vivo CCN(CC)CCC[C@@H](C)Nc1ccnc(COc2ccccc2)n1 28521352 MEXIRRZIQXCNKB-QGZVFWFLSA-N 342.487 3.978 0 1 EHAF CC(C)(CNC(=O)c1cnc(-c2ccccc2)cn1)c1ccccc1 28882368 VZGRSOMSXXSWIS-UHFFFAOYSA-N 331.419 3.851 0 1 EHAF Cc1ccc2c(c1)C(c1ccc(O)cc1)(c1ccc(O)cc1)C(=O)N2 28884021 HEBOOCSUMSCDNV-UHFFFAOYSA-N 331.371 3.693 0 1 EHAF CO[C@@H]1Cc2sccc2C2(CCN(CCc3ccccc3)CC2)O1 40953769 IKFVGGXSMFNQKW-IBGZPJMESA-N 343.492 3.827 0 1 EHAF C[C@H]1CNCC[C@@H]1CNC(=O)c1ccccc1-c1cccc(Cl)c1 49047550 COFVSAVKXZLUQG-GOEBONIOSA-N 342.870 3.982 0 1 EHAF COc1cc(C[C@H]2CCCC[C@@H]2O)cc(Br)c1OC 73197498 IDQRGCHJUZGJGW-YPMHNXCESA-N 329.234 3.560 0 1 EHAF C[C@H]1CCC[C@H]1N1CCC(NC(=O)c2ccc3ncsc3c2)CC1 84726234 XOHLDIYTFDIWAV-SUMWQHHRSA-N 343.496 3.679 0 1 EHAF O=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(O)cc32)n1 103254792 BWGUWKKGNLMDGN-UHFFFAOYSA-N 337.360 3.553 0 1 EHAF Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(=O)C2CC2)s1 103272357 AKOBTLBTDFEBDJ-RGEXLXHISA-N 326.343 3.703 0 1 EHAF Fc1ccc(CN2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@H]32)cc1 299842424 QPMTZIOQDGQWPT-VAMGGRTRSA-N 333.447 3.764 0 1 EHAF Oc1cccc(CCc2nc3ccc(Br)c(F)c3[nH]2)c1 586896689 JCGPBAVQMCJYHJ-UHFFFAOYSA-N 335.176 3.955 0 1 EHAF Clc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966957 NODLYKYITGSTQJ-UHFFFAOYSA-N 343.799 3.954 0 1 EHAF COc1cc(/C=C/c2nc3ccnc(O)c3[nH]2)ccc1Br 586975900 GWFHVWDVLJKXBW-HWKANZROSA-N 346.184 3.605 0 1 EHAF Cc1nccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586987978 JMEIPCYTUDVVPK-UHFFFAOYSA-N 339.354 3.917 0 1 EHAF Cn1cc(-c2ncc(-c3nc4cc(F)c(F)c(F)c4[nH]3)s2)cn1 587020825 BOKLWWMBEYGNHD-UHFFFAOYSA-N 335.314 3.504 0 1 EHAF Nc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1N 587061219 RJPPKRHVOMRZJO-UHFFFAOYSA-N 325.759 3.703 0 1 EHAF COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2n1 587067758 ODVOUIBAGFQDIH-SNVBAGLBSA-N 345.786 3.846 0 1 EHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)n1 587080548 QICCIIGENJNZSU-SSDOTTSWSA-N 336.754 3.888 0 1 EHAF Cc1ccc(/C(=C/N(C)C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587388153 WZXWLZYGRNDDOU-MJLBXUHQSA-N 336.435 3.822 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O 587421656 WENTUAGODBQBCK-SGTLLEGYSA-N 330.767 3.846 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2CCCO[C@H]2C1(C)C 587485912 KKGGFTXZLAMILJ-LXGCGDOSSA-N 330.424 3.884 0 1 EHAF O=C1COc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 587523093 GWVKCAHJILSSAW-SFHVURJKSA-N 349.386 3.603 0 1 EHAF O=C(O)CC[C@@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587532703 NBELSXFXNBUBNC-FQEVSTJZSA-N 340.375 3.884 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2F)N1 587728699 FXUSJUQGOAKPDM-GLEZIHRCSA-N 339.183 3.746 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)cc2)N1 587747062 OXQYVLAJELHGFG-DYZYQPBXSA-N 349.247 3.968 0 1 EHAF COc1cccc(C(=O)c2ccc(-c3nc4ccncc4[nH]3)cc2)c1 587930414 HXGLBAMGCVXOFS-UHFFFAOYSA-N 329.359 3.865 0 1 EHAF CC[C@]1([C@H]2CCCNC2)c2ccsc2CCN1Cc1cccn1C 962402374 ZVIHFHIDDXQEAQ-JXFKEZNVSA-N 343.540 3.750 0 1 EHAF CN(CCCC(=O)Nc1ccc(O)c2ncccc12)c1ccccc1 1857618381 VTVUAZBLHXICAN-UHFFFAOYSA-N 335.407 3.796 0 1 EHAF COc1cc(C[C@H]2C[C@H]3CO[C@H]2c2cc(O)c(OC)cc23)ccc1O 2356778074 LOHDMDZVDAWZCR-KQHSUYLTSA-N 342.391 3.533 0 1 EHAF COc1c(O)ccc2c1CN(C)c1c-2ccc2cc3c(cc12)OCO3 2356846260 OLUURPOOOCDGAU-UHFFFAOYSA-N 335.359 3.900 0 1 EHAF Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cnc(N(C)C)s2)C1 13594588 KUMJOEIDUBIZBL-ZDUSSCGKSA-N 349.525 3.674 0 3 EHAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)CC(=O)N4 36387858 RVBWHVSPPRATHB-UECOTWHESA-N 347.499 3.831 0 3 EHAF COc1ccc(NC(=O)Nc2nc(-c3ccccn3)cs2)cc1 13862052 MYWFJQFAVYNEST-UHFFFAOYSA-N 326.381 3.858 0 1 EHAF C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]21CC[S@@](=O)O1 27650019 LASNAPSEPQIKIZ-AIBQHXCESA-N 344.476 3.791 0 1 EHAF CC[C@]1(C(=O)N[C@H](C)COc2ccc(F)cc2)[C@H](C)C1(Cl)Cl 29348067 FCANZSIVCOGJRL-JRPNMDOOSA-N 348.245 3.929 0 1 EHAF CCc1nn(CCO)c(CC)c1C(=O)c1cc(Cl)cc(Cl)c1 38442267 QIELWXIJVCIPLW-UHFFFAOYSA-N 341.238 3.538 0 1 EHAF CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)ssc2=O)cc1 40950434 WYJQMNFFXUBCFF-UHFFFAOYSA-N 348.470 3.907 0 1 EHAF O=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccccc1 45497727 QZAIIKBTEXEDCN-UHFFFAOYSA-N 330.347 3.862 0 1 EHAF CCCOc1ccc(-c2cc(=O)c3cc(OC)c(O)cc3n2C)cc1 66100115 QOKYZTBWHXTKQZ-UHFFFAOYSA-N 339.391 3.709 0 1 EHAF O=C1OCC(Nc2cccc(O)c2)=C1c1ccc(Br)cc1 72119775 KNIFLLPSYNTXRJ-UHFFFAOYSA-N 346.180 3.535 0 1 EHAF Cc1cc2c(cc1O)[C@H]1C[C@@](O)(c3ccc(Cl)cc3)CCN1CC2 95586772 BIAZWCDUSGLQRR-UYAOXDASSA-N 343.854 3.935 0 1 EHAF CCCCOC(=O)/C=C/c1c2ccoc2c(OC)c2oc(=O)ccc12 95594178 FRPKGBARAJJPLO-FNORWQNLSA-N 342.347 3.904 0 1 EHAF CN1C[C@H]2C[C@H]1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 100647407 GVNGZGPVJXWAOP-UXPWSPDFSA-N 335.447 3.628 0 1 EHAF NC(=O)c1cncc(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)c1 101581787 IZCLZTYQBWLSOM-OKILXGFUSA-N 338.407 3.596 0 1 EHAF O=C1[C@H]([C@H](O)C/C=C/c2ccccc2)CCCN1Cc1ccccc1 103284486 WWGNCARHBCWSLP-BSQFJSTMSA-N 335.447 3.890 0 1 EHAF COc1ccc(C(=O)Cc2ccccc2Cl)n2nc(C3CC3)nc12 113276263 HJESBHUKVRXBCT-UHFFFAOYSA-N 341.798 3.694 0 1 EHAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccoc3)cc2)C[C@@H]2CC[C@@H]1N2C 143946425 KAVKUIYDILEQNP-ZSYWTGECSA-N 325.408 3.686 0 1 EHAF Cc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1 148263605 XIEWFMKZXISGKC-UHFFFAOYSA-N 338.342 3.672 0 1 EHAF O=C(NCCc1ccccc1Cl)c1csc(-c2ccncc2)n1 152446447 CHWJESIRVNZFET-UHFFFAOYSA-N 343.839 3.831 0 1 EHAF CC(C)(O)[C@H]1Cc2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O1 206820261 OMDNGNLHOKWLBM-GOSISDBHSA-N 326.348 3.585 0 1 EHAF Cc1ccccc1C[n+]1ccc(/C=C2/C(=O)Nc3ccccc32)cc1 299835910 ZRCHAWWRHSDXJA-UHFFFAOYSA-O 327.407 3.824 0 1 EHAF O=C(O)c1ccccc1/C=C\c1nc2cc(C(F)(F)F)ncc2[nH]1 586880429 QIDLGGSUQOGUBK-WAYWQWQTSA-N 333.269 3.845 0 1 EHAF CCn1cc(Br)c(Cc2nc3cc(C)c(F)cc3[nH]2)n1 586999611 CKCOTVCSQFNBTR-UHFFFAOYSA-N 337.196 3.580 0 1 EHAF Oc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)c(Cl)c1 587053607 GHSUJFULRFXRQJ-UHFFFAOYSA-N 342.555 3.886 0 1 EHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)n1 587078915 CYEJHTMGYWIGED-SSDOTTSWSA-N 330.779 3.633 0 1 EHAF Cc1cc(Br)cc2nc(-c3cccc(N)c3C(=O)O)[nH]c12 587248474 QPOCZTAAOGQITF-UHFFFAOYSA-N 346.184 3.581 0 1 EHAF COc1ccc2c(c1)CCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445039 YXVBQRDXNMIRBJ-DYESRHJHSA-N 336.387 3.683 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)nc1)CC2=O 587483669 DCIFOFUWRKYKKS-KRWDZBQOSA-N 327.380 3.845 0 1 EHAF CC1(C)C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587614909 DPCPTBFTIZPLLG-OXQOHEQNSA-N 340.375 3.682 0 1 EHAF CCOc1ccccc1OCc1nc2cc(C(F)(F)F)cnc2[nH]1 587780125 LQPPMOFFJJRANN-UHFFFAOYSA-N 337.301 3.954 0 1 EHAF O=C(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)OCc1ccccc1 587782559 UUMAKVVZWSZNTF-UHFFFAOYSA-N 336.178 3.551 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccs2)N1 587855076 TXXFLSSITVSWJJ-RMLUDKJBSA-N 341.249 3.842 0 1 EHAF COc1ccc([C@H](c2ccccc2)c2nc3cc(=N)[nH]cc3[nH]2)cc1 587937577 POYGZLMYZIQYCD-IBGZPJMESA-N 330.391 3.559 0 1 EHAF C[C@]1(C2CCCC2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962625485 COLYYVDPGSDADN-BLLLJJGKSA-N 343.345 3.590 0 1 EHAF COC(=O)[C@@H]1CCCC[C@@]12NCCc1c(Cl)cc(Cl)cc12 963126195 VKKBHDSWBROUMV-BLLLJJGKSA-N 328.239 3.698 0 1 EHAF NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CC(=O)O)c1 1857568026 BURBMNTYEMRUAU-UHFFFAOYSA-N 345.398 3.670 0 1 EHAF CC=Cc1ccc(=O)n2c1[C@H]1C[C@@H](CN(Cc3ccc(F)cc3)C1)C2 2356320574 RSPJAFMLZXXEFZ-WMZOPIPTSA-N 338.426 3.640 0 1 EHAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@H](O)CC[C@@H](C)[C@]12C 2356382539 FEVYLFPXBKQRPU-OAKMIFOQSA-N 346.423 3.748 0 1 EHAF COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 2480291 LEWXTMQVINXMHA-UHFFFAOYSA-N 346.383 3.585 0 1 EHAF Cc1cccc(NC(=O)CN2C(=O)C[C@@H](C)Sc3ccccc32)c1 5052121 LDUSDJUDLDTVSX-CQSZACIVSA-N 340.448 3.851 0 1 EHAF Oc1ccc([C@@H]2N=CN[C@@H]2c2c(Cl)cc(O)cc2Cl)c(F)c1 13475120 NMMPARYIHIERHQ-LSDHHAIUSA-N 341.169 3.958 0 1 EHAF CC(C)c1cc(C(=O)O)c2c(c1O)O[C@@]1(O)C(C)(C)CCC[C@]21C 14690070 KLOJCXCHQBUABA-MOPGFXCFSA-N 334.412 3.763 0 1 EHAF biogenic CC(C)=CC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)C=C2 15216798 HUEQNVBOFCAFSJ-UHFFFAOYSA-N 339.391 3.653 0 1 EHAF biogenic CC(C)C[C@](CCN1[C@@H](C)CCC[C@H]1C)(C(N)=O)c1ccccn1 27521075 JXYNQQWXHSCGTC-QKLQHJQFSA-N 331.504 3.504 0 1 EHAF Cc1cc(C)nc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1 29127966 FDBGKYDLLNFNLR-UHFFFAOYSA-N 347.422 3.540 0 1 EHAF CN(C(=O)CCCn1c(N)nc2cc(Cl)ccc21)C1CCCCC1 58592072 UIWHCBCBZBYNDS-UHFFFAOYSA-N 348.878 3.843 0 1 EHAF in-vitro COC(=O)C1=C(c2ccc(-c3nccs3)cc2)C[C@H]2CC[C@H]1O2 101501209 OBDQYTHBVATJAH-UKRRQHHQSA-N 327.405 3.688 0 1 EHAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(C)cc1 104115512 OOTLIMMEFWRNNJ-CFBLSMTOSA-N 326.400 3.868 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3ccc(O)cc3CC[C@@H]21 117623468 MUKAIKNFWZOKFG-PXNSSMCTSA-N 347.418 3.603 0 1 EHAF COC(=O)C1=C[C@]2(c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2C=C[C@@H]1C2 169339392 VQRFUQBWZBYASP-YCLPVOJQSA-N 328.383 3.706 0 1 EHAF O=C(c1nc2ccccc2n1Cc1ccc(Cl)cc1)N1CCCC1 231227478 GDXBIQUOYJWFNE-UHFFFAOYSA-N 339.826 3.974 0 1 EHAF C[C@@]1(O)OC[C@]23CC[C@@H]4[C@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@H]2CC[C@@H]13 253706476 RVRUDXHMJRUDLB-MXYSOCMLSA-N 332.484 3.645 0 1 EHAF O=C1C[C@@H](Sc2ccc(F)c(F)c2)N1C(=O)NCc1ccccc1 299855600 AYIOKRCJZRHZLJ-MRXNPFEDSA-N 348.374 3.525 0 1 EHAF FC(F)(F)Oc1cc2nc(C3=COCC3)[nH]c2cc1Br 586913932 WHLGOOJYJNFWKD-UHFFFAOYSA-N 349.106 3.985 0 1 EHAF CSCC(C)(C)c1nc2ccc(I)cc2[nH]1 586969677 VOHPYCGLIILOSG-UHFFFAOYSA-N 346.237 3.808 0 1 EHAF CCOC(=O)Cc1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1 587090351 PDWQOQIHOQKZBU-LBPRGKRZSA-N 338.688 3.592 0 1 EHAF COc1c(F)ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1N 587133522 RNMPTZLQWXXOMP-UHFFFAOYSA-N 327.146 3.662 0 1 EHAF Fc1cccc(N2CCOCC2)c1-c1cc2c3c(cccc3n1)CC2 587210297 NIFNCGYCRXFGCH-UHFFFAOYSA-N 334.394 3.976 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]c(Br)c1C)O2 587373581 RMKUJGKNTBHZDO-INIZCTEOSA-N 349.228 3.857 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1CN1CCCC1)O2 587393419 IDIGVWVGTXJPAG-FQEVSTJZSA-N 336.435 3.880 0 1 EHAF COc1cc2c3c(c1)O[C@]1(Cc4ccc(Cl)cc4C1)[C@@H](C2)C3=O 587421766 MXRAYMCCTDJUSC-KXBFYZLASA-N 326.779 3.634 0 1 EHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccncc1)[C@@H](C2)C3=O 587436280 NBCZKNDZIBBPSS-AVRDEDQJSA-N 343.382 3.781 0 1 EHAF COC(=O)[C@H]1CC[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587523458 IZXIWMPVGPMRHK-DOXZYTNZSA-N 342.435 3.879 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1F 587568309 HMDTWVRWMPKQLI-VQIMIIECSA-N 337.306 3.629 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](C)C2=O)N1 587823634 QKTVBQNLHLTDFB-LYGAQUJYSA-N 340.236 3.707 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@]3(C)O[C@@H]23)N1 587839570 SXIIENMDIMYMGL-OSBCIYBTSA-N 340.236 3.659 0 1 EHAF COc1cc(C2(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CC2)ccc1C 587927170 OPNMTEWQZKBHGB-UHFFFAOYSA-N 334.379 3.542 0 1 EHAF CSC(=C[C@]1(c2ccccn2)NCCc2ccc(O)cc21)SC 963353034 OXTDSVWZVPSEOG-SFHVURJKSA-N 344.505 3.744 0 1 EHAF COc1cccc2cc3c(cc12)C(=O)N(Cc1ccc(F)cc1)C3=O 1857560523 CABBEVLDONVNEV-UHFFFAOYSA-N 335.334 3.784 0 1 EHAF C/C=C(\C)[C@H]1C(C)=C[C@H]2C[C@@H](C)C[C@@H](C(=O)O)[C@@H]2[C@@]1(C)C(=O)CCO 1857599089 LCAKZDTYAJEGJC-QPYQJHIMSA-N 348.483 3.850 0 1 EHAF CCOc1ccc(Nc2cc(NC(=O)c3ccccc3)ncn2)cc1 1857652277 HOWQTNUTPZLICX-UHFFFAOYSA-N 334.379 3.871 0 1 EHAF O=C(CCc1ccc(C(F)(F)F)cc1)C(=O)NCCc1ccccc1 1911586603 RUTQOCJMJDUBEK-UHFFFAOYSA-N 349.352 3.566 0 1 EHAF CCCCCOC(=O)C[C@@H](C(=O)OCCCCC)N1CCCCC1 59837444 QBMPNWRHTXHPPC-KRWDZBQOSA-N 341.492 3.698 0 3 EHAF Cc1cncc2ccc(C(=O)NCc3ccccc3OC(C)C)nc12 5931493 XFSSECYBPPDAHQ-UHFFFAOYSA-N 335.407 3.655 0 1 EHAF OC[C@@H](O)CNc1cc(-c2ccc3c(c2)CCCC3)nc2ccccc12 13818409 KRKXHQDLTDKRHH-SFHVURJKSA-N 348.446 3.546 0 1 EHAF CC(C)CC(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 40979786 YYVFHUIYCOUOCD-ZDUSSCGKSA-N 329.271 3.730 0 1 EHAF COc1ccc(COc2ccc(/C=C3\SC(=O)NC3=O)cc2)cc1 45390663 BJKMXXBYUOILHA-YBEGLDIGSA-N 341.388 3.598 0 1 EHAF CCOc1ccc([C@H]2C[C@H]2c2nnc3c4ccccc4cnn23)cc1 49055438 ZKIVPTMNBDORCE-QZTJIDSGSA-N 330.391 3.947 0 1 EHAF Cc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1C 58592736 KAPVOFHRIOYFQH-UHFFFAOYSA-N 338.499 3.713 0 1 EHAF CCN1CCc2cc(OCCF)cc3c2[C@H]1Cc1cccc(O)c1-3 66098523 ZAJYDMAAHSFWGH-QGZVFWFLSA-N 327.399 3.883 0 1 EHAF CC(=O)C1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 72113523 QLTWMGWHLVAPAS-UHFFFAOYSA-N 344.333 3.855 0 1 EHAF COc1cc(Cl)ccc1O[C@@H](c1cccc(C)c1)[C@H]1CNCCO1 87723753 NUGRPPXOWJFLKG-MOPGFXCFSA-N 347.842 3.766 0 1 EHAF in-vitro C=C(/C=C/c1ccco1)NCCCCNC(=O)/C=C/c1ccco1 100505377 NCCGMZMCSFXWBS-BNFZFUHLSA-N 326.396 3.599 0 1 EHAF CC[C@]1(C(=O)NCCc2ccc(F)cc2F)[C@@H](C)C1(Cl)Cl 103296528 ZYVQQTXXYQSUNB-YMTOWFKASA-N 336.209 3.844 0 1 EHAF C[C@H]1COC2(CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)O1 169350162 CNSGTRREGVCYHY-FZWSLVFFSA-N 343.345 3.966 0 1 EHAF CN(C)C(=O)c1cccc(-c2cc(C=O)c(O)c(C(F)(F)F)c2)c1 169699652 LLNWBRLXZZTRPD-UHFFFAOYSA-N 337.297 3.592 0 1 EHAF O=C(O)c1ccccc1/C=C\c1nc2cc(C(F)(F)F)cnc2[nH]1 586879827 NSGVRIJYADXKAX-WAYWQWQTSA-N 333.269 3.845 0 1 EHAF Cc1c(-c2ccnn2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986928 HPDBCEKWZAQLBH-UHFFFAOYSA-N 341.370 3.861 0 1 EHAF Nc1c(F)cc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1F 587134408 FQUXKPITLCFKMN-UHFFFAOYSA-N 342.118 3.992 0 1 EHAF Cc1cc(Br)c(-c2nc3nc(Cl)c[nH]c-3n2)cc1F 587137684 GCVSWPSAIQFOSO-UHFFFAOYSA-N 341.571 3.835 0 1 EHAF N[C@@H]1CC[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C1 587246168 FUJFXRUUAROHJH-POYBYMJQSA-N 348.166 3.939 0 1 EHAF CCOC(=O)Cc1ccc2nc(COc3cc(C)cc(C)c3)[nH]c2c1 587564987 RXLWEOBHDPSQFO-UHFFFAOYSA-N 338.407 3.864 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccnc32)N1 587779655 VGLOTOKFWRYBDC-QGHHPUGFSA-N 347.231 3.707 0 1 EHAF CC(=O)[C@@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811790 HNKQVWVFKAFLOS-MGPLVRAMSA-N 342.252 3.953 0 1 EHAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2c(Cl)c(Br)cnc2[nH]1 587963971 WYEHACACHCAQRR-RNFRBKRXSA-N 342.624 3.532 0 1 EHAF Clc1ncc(I)c2nc(C=C3CCC3)[nH]c12 587965467 TZXGZHBLODHEGX-UHFFFAOYSA-N 345.571 3.783 0 1 EHAF Nc1nc(N)nc(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1 653757825 JHHCBNXNWJXUNZ-UHFFFAOYSA-N 348.193 3.802 0 1 EHAF C[C@]1([C@@H]2CCCOC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962718162 RLPBEKOOGMDHIM-VCBZYWHSSA-N 335.488 3.831 0 1 EHAF Cc1cccc(OCCCn2ccc3ccc(OCC(=O)O)cc32)c1 1772650287 BCGAAFUVFFMAQW-UHFFFAOYSA-N 339.391 3.882 0 1 EHAF Nc1ccc(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)c(F)n1 1772651805 LHAVBPKVYIFDOH-ZDUSSCGKSA-N 343.383 3.533 0 1 EHAF Oc1ccccc1C1=N[C@H](Cc2cnc[nH]2)[C@@H](c2ccccc2)S1 1857638928 BDLSNMGOWYNTSL-SJLPKXTDSA-N 335.432 3.961 0 1 EHAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]56CCC[C@@H]5C=CC[C@@](C4)([C@]12O)[C@@]36C 2356320199 MKRCCEVCJZWCEH-FDRSDSFSSA-N 342.479 3.504 0 1 EHAF CCCCC[C@@H]1C=C[C@H]2[C@H](CC=CCCCC(=O)O1)C(=O)C[C@H]2O 2356675586 BJXHXZDHQUYRMA-VUHPKUFZSA-N 334.456 3.731 0 1 EHAF CC(C)OC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1 4853331 LAYSPIWBHGUEEU-UHFFFAOYSA-N 345.399 3.603 0 3 EHAF CC(=O)OC[C@]12CO[C@@H]3c4ccccc4O[C@@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C 5529640 YMPPYMYJLCYPBO-NNQVIUPHSA-N 330.424 3.751 0 1 EHAF Cc1cc([C@@H](c2ccccc2C(C)C)N2CCN(C)CC2)sn1 28252231 HMNSRXUXWVPBFX-LJQANCHMSA-N 329.513 3.912 0 1 EHAF COc1ccc(Cl)c(-c2nnc3n2N[C@@H](c2ccco2)S3)c1 28712909 SRVKNOBSSRFVOS-CYBMUJFWSA-N 334.788 3.548 0 1 EHAF CC(=O)Oc1ccc2c(c1)CCn1c-2cc2cc(OC(C)=O)ccc21 29339438 INVAPZPGXFFLHR-UHFFFAOYSA-N 335.359 3.715 0 1 EHAF CCn1ccc2cc([C@H](O)c3ccc(OC)c(OC)c3OC)ccc21 45286336 AWQCWKGZNUIRAQ-SFHVURJKSA-N 341.407 3.769 0 1 EHAF COC(=O)c1ccccc1NCc1coc(-c2cccc(OC)c2)n1 72103862 LARUXASXVHDQGJ-UHFFFAOYSA-N 338.363 3.749 0 1 EHAF CCC[C@H]1C(C(=O)OCCSC)=C(C)N=C(C)/C1=C(/O)OCC 100038054 FTDCOGCKEIHMLU-ZPTIMJQQSA-N 341.473 3.864 0 1 EHAF CCCCC[C@@H]1/C=C/[C@@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O1 169290088 PAPRKPWTFGPHGR-LJAFAMCTSA-N 336.472 3.955 0 1 EHAF CC(=O)OC[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccc(Cl)c1 253633762 NULBFCVSTMAXPP-UWLHPLLSSA-N 331.843 3.769 0 1 EHAF O=C(O)Cc1c[nH]c2ccc(OCCOc3cccc(Cl)c3)cc12 473082506 IZTRYSBSGOCLTL-UHFFFAOYSA-N 345.782 3.906 0 1 EHAF O=S(=O)(O)c1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1 586882807 AQKHDCNJJCLVMG-UHFFFAOYSA-N 328.393 3.744 0 1 EHAF O[C@H]1C[C@@H](c2nc3cccc(Br)c3[nH]2)c2ccccc21 586900232 AUFBGWFXEWDTJQ-RISCZKNCSA-N 329.197 3.894 0 1 EHAF Cc1ccc(-c2nc(-c3nc4ccc(C(=O)O)cc4[nH]3)cs2)o1 587016755 NIRGIEIZXLWNBM-UHFFFAOYSA-N 325.349 3.953 0 1 EHAF COc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076983 QBYRQIGEKQKBGP-MRXNPFEDSA-N 327.771 3.842 0 1 EHAF Cc1ccc2c3c(cc(-c4cc[nH]c(=N)n4)nc13)-c1ccccc1C2=O 587099222 ZPUCYKNNDWFFSY-UHFFFAOYSA-N 338.370 3.624 0 1 EHAF Fc1cc2[nH]c(-c3cncc(C(F)(F)F)c3)nc2cc1-n1cccn1 587115012 CXIDRLUEYNFUIK-UHFFFAOYSA-N 347.275 3.969 0 1 EHAF COc1c(F)cc(-c2nc3cc(Br)cnc3[nH]2)cc1F 587134802 NHSUKWXVGBXINV-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF COc1ccc(-c2ccc(-c3nc4cnncc4[nH]3)c(F)c2)c(F)c1 587152005 JLESADXXNDZESP-UHFFFAOYSA-N 338.317 3.974 0 1 EHAF COc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1C 587165030 JPPOPYITLLSSED-UHFFFAOYSA-N 336.370 3.931 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c3c(c1)OCCO3)O2 587379902 MKDKSEJESFGCPS-HNNXBMFYSA-N 345.782 3.708 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCCOc4c(C)cccc41)[C@@H](C2)C3=O 587450040 CRIRNTSKMPRHOY-HRAATJIYSA-N 336.387 3.819 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OCC)[nH]1)CC2=O 587480598 DJKLNXZDTOWLNO-KRWDZBQOSA-N 343.379 3.556 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@H]1[C@H](C(=O)OCC)C1(C)C)CC2=O 587485340 VJQBDVNCDKEKQC-YESZJQIVSA-N 346.423 3.514 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCN[C@H]3CCCC[C@H]31)CC2=O 587488107 YGQAWELXEGDEAX-GQIGUUNPSA-N 329.440 3.601 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CCOCC2)N1 587834240 KJHYRSDJTRYKCD-MGPLVRAMSA-N 342.252 3.980 0 1 EHAF Cc1cc2c(cc1F)[C@]1(NCC2)c2ccccc2[C@H]2CN(C)CC[C@H]21 962087097 CTHAXAJCKDKHTM-JUXOCIIHSA-N 336.454 3.572 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2nc(N)sc2C)N1 962939009 BGWSWRGNYIGIGU-BBATYDOGSA-N 326.469 3.703 0 1 EHAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc2c(cc1C)OCO2 963061688 XNMHZXSTUBEMGV-OAQYLSRUSA-N 348.402 3.516 0 1 EHAF COc1cccc([C@@H](O)c2nc(-c3cccc(C(=O)O)c3)cs2)c1 61929670 FHVFPFHPNCKDFT-MRXNPFEDSA-N 341.388 3.599 0 3 EHAF Oc1nc2c(Cl)cc3c(c2s1)[C@@H](c1ccccc1)CNCC3 13608552 MWAJWXXODKGYIP-GFCCVEGCSA-N 330.840 3.933 0 1 EHAF CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4cccnc4)c3)cnc2n1 13678278 GFQMHVYMEKXHDT-UHFFFAOYSA-N 348.381 3.825 0 1 EHAF CC[C@@]12CCCN[C@H]1c1c(n(C)c3ccccc13)[C@@H](C(=O)OC)C2 17215807 BOUCDMYOGZRXRQ-DCPHZVHLSA-N 326.440 3.660 0 1 EHAF Cc1cc2c(s1)C(N1CCN(C)CC1)=Nc1cc(F)ccc1N2 27988293 CVXLPHKTOLDTBE-UHFFFAOYSA-N 330.432 3.578 0 1 EHAF O=c1c2c([nH]n1-c1ccccn1)CCc1cc(-c3ccccc3)ccc1-2 73222322 IFAGUNWEPDMATO-UHFFFAOYSA-N 339.398 3.993 0 1 EHAF COCCNc1nccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12 74386233 QZNLCDZTQOZHOF-UHFFFAOYSA-N 336.317 3.702 0 1 EHAF O=P(O)(O)Oc1ccccc1-c1nc(-c2ccccc2)cs1 84741526 JHMWORCXGWWUEP-UHFFFAOYSA-N 333.305 3.949 0 1 EHAF c1ccc2ncc(C3=NCc4ccnc(OC5CCOCC5)c43)cc2c1 96176036 WVDPXSQTXXBSMN-UHFFFAOYSA-N 345.402 3.539 0 1 EHAF Cc1cc(C)c(NC(=O)CSc2nc3cc[nH]cc-3n2)c(C)c1 101912111 HISWQINXBJMUTI-UHFFFAOYSA-N 326.425 3.566 0 1 EHAF Cc1cc(Oc2cncc(F)c2)cc(C(=O)Nc2cc(F)ccn2)n1 148259748 RIWNRNHRTJIFQK-UHFFFAOYSA-N 342.305 3.503 0 1 EHAF Cc1cc(-c2c(C)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)on1 169330762 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CC[C@@H](O)C1=CCCC[C@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 40862014 ZPCBCTMUZXBEBJ-HZPDHXFCSA-N 346.851 3.644 0 1 EHAF CC[C@@]1(O)C[C@]2(C)[C@@H](O)CC[C@H]2C2=C1c1ccc(OC)cc1CC2 40892915 JMJOCTAUGDKQKA-JYAXBFRTSA-N 328.452 3.717 0 1 EHAF C[C@H](O)[C@](C)(CO)NCc1ccc2c3c(cccc13)-c1ccccc1-2 45303131 CITBKHXTICVSII-FPTDNZKUSA-N 333.431 3.709 0 1 EHAF COc1ccc(CSc2nnc(-c3ccc(OC)cc3O)o2)cc1 84633550 RNPCSUPKWBHBBC-UHFFFAOYSA-N 344.392 3.752 0 1 EHAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccnc1 103910598 KRAMZTMPVIOQGM-LBPRGKRZSA-N 340.408 3.513 0 1 EHAF C[C@@]1(CC(F)(F)F)NC(=O)c2sc(-c3ccncc3)cc2N1 114221557 PNMGTDVFGLZVQH-ZDUSSCGKSA-N 327.331 3.634 0 1 EHAF O=C(Sc1cccnc1C(=O)O)c1cccc(C(F)(F)F)c1 169319419 SILSZUXOCFMOPI-UHFFFAOYSA-N 327.283 3.731 0 1 EHAF C=CC(=O)Nc1cccc(-c2nc(Cl)ncc2Br)c1 169701952 VZMMPCKIVMCWQT-UHFFFAOYSA-N 338.592 3.684 0 1 EHAF C[C@H]1C[C@H](NC(=O)c2cccc(-c3cccc(Cl)c3)n2)CCO1 207727628 OVABTRALKDLHGA-SWLSCSKDSA-N 330.815 3.699 0 1 EHAF COc1cc2c(cc1OC1CCCC1)CN(Cc1ccncc1)CC2 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Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1cncnc1)O2 587394557 HJZJLTKNNIUNOP-IBGZPJMESA-N 331.375 3.741 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4ccc(OC)c(C)c14)[C@@H](C2)C3=O 587437562 GXSVYWKSQPDCDM-ZSEKCTLFSA-N 349.386 3.982 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C[C@H](C)O)c1)CC2=O 587486976 YDOKHZJPXDDQOU-RNODOKPDSA-N 340.419 3.975 0 1 EHAF COC(=O)C[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1C 587521298 BTXOQDUSNVFQFJ-XLDJFRKUSA-N 342.435 3.879 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccs2)N1 587856279 XIODQMSUFPBFDA-JMCQJSRRSA-N 327.222 3.668 0 1 EHAF O=C(c1ccc(Cl)cc1O)n1nc2cc1Oc1ccc(F)cc1-2 587874314 USHXEPYQQLSQPJ-UHFFFAOYSA-N 330.702 3.842 0 1 EHAF C/C=C1\NNC(=O)C(c2nc(-c3cc(F)ccc3F)cs2)=C1CC 587922001 FWGQXNTXABHAAL-PQMHYQBVSA-N 347.390 3.790 0 1 EHAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccnc(OC)c2[nH]1 587925999 FJZOHTUFZUENIA-LBPRGKRZSA-N 327.384 3.526 0 1 EHAF O=C(CSc1nc2sccc2c(=O)n1C1CC1)c1ccccc1 653739277 QVXAEEGEUNULNF-UHFFFAOYSA-N 342.445 3.768 0 1 EHAF CCCC(=O)C[C@@]1(C(=O)OCC)c2ccccc2C[C@H](C)N1CCC 963241198 MKHUSCHKHAHJIH-KKSFZXQISA-N 345.483 3.861 0 1 EHAF Cc1cc2c(cc1O)[C@@](C(C)C)(C1CCCCC1)N[C@H](C(=O)O)C2 963469880 LEAPBTDCXMVRJF-FXAWDEMLSA-N 331.456 3.731 0 1 EHAF ONc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1 1857570207 UDVLZNLKMGJMNT-UHFFFAOYSA-N 333.189 3.739 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@@H]([C@]32C)[C@]1(C)CC[C@H]1CCOC1=O 2356420437 AOIVVVYELQRCFE-RZLRJEEXSA-N 332.440 3.644 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(SC)c1 2356587433 KPBXPNWCHWXDRD-IJEWVQPXSA-N 349.569 3.815 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@@]12O 2356658275 MQNZCIQEZXYGJZ-XFHUWUJUSA-N 332.440 3.732 0 1 EHAF CC(=CC(=O)O)CC[C@@H]1C(C)=CC[C@@H]2[C@](C)(CO)C[C@H](O)C[C@]12C 2356727477 OZALBTCYJOTRKW-WUOIFLIFSA-N 336.472 3.540 0 1 EHAF COc1ccc(C2=NCCn3nc4cc(C(F)(F)F)ccc4c32)cc1 36383473 HCRIDWVZPBFJOV-UHFFFAOYSA-N 345.324 3.915 0 3 EHAF CCOc1ccccc1[C@H]1N(c2ccc(F)cc2)C(=O)[C@H]2CCCN21 58047417 CXXFMYGNCYGUHB-IEBWSBKVSA-N 340.398 3.734 0 3 EHAF Cc1ccc(C(=O)N[C@H](Cc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 61945311 QKZBXAXQCYHDHQ-GOSISDBHSA-N 339.435 3.718 0 3 EHAF CC1=C(C)C[C@@H](C(=O)NCCCCc2ccccc2)[C@@H](C(=O)O)C1 3634575 FNCBFWRRGZNBOW-MSOLQXFVSA-N 329.440 3.573 0 1 EHAF COc1ccc2c(c1OC)Oc1c(OC)ccc3c1[C@@H](C2)N(C)CC3 14690997 WXFLVVMTZWLCTQ-CQSZACIVSA-N 341.407 3.590 0 1 EHAF biogenic O=C1c2ccccc2C(=O)N1c1ccc(CCc2cccc(O)c2)cc1 45284468 TUMZBTITCWKZAT-UHFFFAOYSA-N 343.382 3.978 0 1 EHAF in-vivo COC1CCC([C@H](C)Nc2nc(N3CCC[C@H]3C)ncc2C)CC1 82202476 QVDIWOXSUSTKRV-XNIRIUNOSA-N 332.492 3.779 0 1 EHAF Cc1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)c(O)c1 84711223 NMXWSLWCAVUBOO-UHFFFAOYSA-N 326.377 3.726 0 1 EHAF C[C@H](SC1=NS(=O)(=O)c2cc(F)ccc2N1)c1ccccc1 95585136 SDGUVEPJMALGMJ-JTQLQIEISA-N 336.413 3.790 0 1 EHAF Nc1nc(N)c2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]c2n1 299827494 KDTRRQSIINNFNR-UHFFFAOYSA-N 337.333 3.735 0 1 EHAF O=S(=O)(/C=C\c1nc2ccc3ncccc3c2[nH]1)c1ccccc1 586925227 XIQBQYOSTQARRG-BENRWUELSA-N 335.388 3.556 0 1 EHAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc3c(c2[nH]1)CCCC3 587092773 AQUIKBRFSXLLQH-SECBINFHSA-N 325.334 3.571 0 1 EHAF CCOC(=O)c1ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175676 XTHYNVXCVVTPPQ-UHFFFAOYSA-N 337.354 3.951 0 1 EHAF Oc1nc(O)c2cc3c(nc2n1)[C@@H](c1cccc(C(F)(F)F)c1)CC3 587368995 ZIHRRKMWPGTPNS-LLVKDONJSA-N 347.296 3.533 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(CCCCCCC(=O)O)[C@@H](C2)C3=O 587446627 CMXAPLLOAGAPBY-IFXJQAMLSA-N 332.396 3.627 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cnc1O)CC2=O 587462202 NZJTZRLHNYIMGW-HNNXBMFYSA-N 333.771 3.805 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](CCNC(=O)OC(C)(C)C)CC2=O 587469650 JKUTVUTVGBNJGT-GFCCVEGCSA-N 349.427 3.593 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](C(=O)O)CC1)CC2=O 587478504 AZTFGMVBWAMIAD-HXPMCKFVSA-N 332.396 3.714 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H]3C[C@H]1CCC3=O)CC2=O 587487129 ZLBZXPVTQKQUNC-IZDJOXEWSA-N 328.408 3.828 0 1 EHAF CCCc1c(O)ccc2c1OC1(CCC(CC(=O)O)CC1)CC2=O 587489841 PIAHLDMNFFIXCY-UHFFFAOYSA-N 332.396 3.714 0 1 EHAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1OC 587518968 RQQHFWSOGGXYNI-KRWDZBQOSA-N 339.391 3.684 0 1 EHAF C[C@@]1(c2ccc(C(=O)O)o2)CC(=O)c2ccc3c(c2O1)CCCC3 587534727 XTWXKQFAPHIBLX-IBGZPJMESA-N 326.348 3.737 0 1 EHAF CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 587584454 AEBFDCHRECJUHH-VQIMIIECSA-N 337.331 3.646 0 1 EHAF Cc1c(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)cnn1C 587634015 SWIUOIYUGGADTC-UHFFFAOYSA-N 325.265 3.761 0 1 EHAF CCc1ccccc1NC(=S)n1ncc2ccc(Cl)cc2c1=O 587654518 KVFVYUQJMPJJSJ-UHFFFAOYSA-N 343.839 3.857 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccn(C)c2)N1 587758776 YDLKYHRSMSPBGH-QFYYESIMSA-N 337.236 3.724 0 1 EHAF CC[C@@H]1CCC(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587817867 BIVLOWJKJKBKOM-YRXQGLPXSA-N 340.236 3.707 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H]2CCCOC2)N1 587832009 ATCKYVYDXMCYSJ-GDLVEWKHSA-N 342.252 3.980 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cscn2)N1 587855061 TXEWQUYTKNMSNG-UHLUBPPHSA-N 327.222 3.668 0 1 EHAF COc1ccc(Cl)c2c1CCN[C@@]21CCc2cc(O)ccc2C1 963257587 LAAUUXIMPAEFAZ-LJQANCHMSA-N 329.827 3.584 0 1 EHAF Cc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1Cl 1772592514 KGFRUXTXXSSDBI-UHFFFAOYSA-N 332.831 3.772 0 1 EHAF N=c1[nH]c(CCCCCOc2ccccc2)c(-c2ccccc2)c(=N)[nH]1 1857567196 UQONOLVRIPSOGW-UHFFFAOYSA-N 348.450 3.761 0 1 EHAF CC1=NN2C(=O)[C@@H](C)Oc3c(Br)cc(Cl)cc3[C@@H]2C1 1857747812 QJKLJVOOGFRFBC-HQJQHLMTSA-N 343.608 3.533 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CCC2=C[C@@H]3OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C 2356578882 KBPMNOLIWDLUPI-RFHZUNJHSA-N 330.424 3.873 0 1 EHAF Cc1ccc(SCC(=O)OCC(=O)NC2CCCCCCC2)cc1 22040384 QIMVAAJMJBJAIC-UHFFFAOYSA-N 349.496 3.859 0 3 EHAF O=C1[C@H]2CCCN2[C@H](c2ccccc2F)N1c1cccc(Cl)c1 58047097 KPOMRDLYFPZBJW-SJORKVTESA-N 330.790 3.989 0 3 EHAF CN1CCC(n2[nH]cc3nc(-c4ccc5ccccc5c4)nc2-3)CC1 103586556 QFXMWAXPCFMPBO-UHFFFAOYSA-N 331.423 3.798 0 1 EHAF O=C1O[C@H](O)C(c2cccc3c2oc2ccccc23)=C1Br 28639979 NQLZCBCGUGWODK-HNNXBMFYSA-N 345.148 3.567 0 1 EHAF Fc1ccc(-c2cccc(CN3CCN(c4ncccn4)CC3)c2)cc1 26156514 GVYUEZFLXAHJAB-UHFFFAOYSA-N 348.425 3.605 0 1 EHAF Clc1cccc(OCCCN2CCC(Cc3c[nH]cn3)CC2)c1 28563513 NTZNXGDCVGYNSB-UHFFFAOYSA-N 333.863 3.787 0 1 EHAF OCc1c(CO)c(-c2ccc(Cl)cc2)n2c1Cc1ccccc1-2 43017192 OCSJSYYUYJXLLG-UHFFFAOYSA-N 325.795 3.687 0 1 EHAF Cc1cc(C)c(Nc2nc(Cl)cn([C@@H](CO)C3CC3)c2=O)c(C)c1 43076697 AVBUUVYVWXKOJB-AWEZNQCLSA-N 347.846 3.509 0 1 EHAF COc1ccc(Cc2cncc3cc(OC)c(OC)cc23)cc1O 196734207 PWCIUOKTPDXQOC-UHFFFAOYSA-N 325.364 3.557 0 1 EHAF Cc1nn(C(=N)N)c(C)c1C1c2ccccc2CCc2ccccc21 84687995 TVURWACCIMBLTP-UHFFFAOYSA-N 330.435 3.520 0 1 EHAF COc1ccc2c(c1)c(/C=C/C(=O)O)cn2Cc1cccc(F)c1 84633667 CWUOSCZXCLCCMF-VMPITWQZSA-N 325.339 3.935 0 1 EHAF COc1ccccc1[C@H]1CCn2nc(COc3ccccc3)cc2C1=O 299838894 ORSZXICPDDDNMX-GOSISDBHSA-N 348.402 3.841 0 1 EHAF CC[C@@]1(Cc2nc3ccc(C(=N)N)cc3[nH]2)CC(=O)c2ccccc2C1 587959030 BMBKOFVQWLYFDS-NRFANRHFSA-N 346.434 3.615 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1nc3c(s1)CCC3)CC2=O 587496707 SPPXWZARAZNWKV-OAHLLOKOSA-N 329.421 3.996 0 1 EHAF C[C@H](F)[C@@H](N)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587123462 JZGWZYXKKBLSIJ-RNHFCUEFSA-N 340.118 3.702 0 1 EHAF CCn1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576631 JWBFSPRDVYMLPE-YLJYHZDGSA-N 335.359 3.917 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ncc(C(C)(C)C)s1)[C@@H](C2)C3=O 587453135 UTGBEZIULYPKGI-MEDUHNTESA-N 329.421 3.938 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C(C)C)nc1)O2 587385167 BZZRKUBSFIEWFW-KRWDZBQOSA-N 325.412 3.523 0 1 EHAF FC(F)(F)c1ccn(CCc2nc3cnc4ccccc4c3[nH]2)n1 587118781 PZQUMJJSTVTBHL-UHFFFAOYSA-N 331.301 3.569 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCc4c1[nH]c1ccc(F)cc41)[C@@H](C2)C3=O 587429709 WLKOGYJRPGCQGU-BTYIYWSLSA-N 349.361 3.905 0 1 EHAF COc1cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1OC 587151708 TVYUCAHUCQSGEH-SECBINFHSA-N 334.322 3.998 0 1 EHAF COc1c(F)ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1N 587133667 YQHXVSHSHMDPPX-UHFFFAOYSA-N 341.264 3.858 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(C)cc1O)[C@@H](C2)C3=O 587419529 DURWWUICLSUCKW-KPZWWZAWSA-N 330.767 3.851 0 1 EHAF N[C@@H](N=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 587161378 QURWTEIUXDSHNI-ZDUSSCGKSA-N 349.163 3.855 0 1 EHAF Cc1coc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587776981 ZSMFIGDFLMQHMI-ANRSDYALSA-N 339.208 3.682 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(C(F)(F)F)n1)[C@@H](C2)C3=O 587423089 QUWBVMYYJJELLJ-MGPLVRAMSA-N 335.281 3.598 0 1 EHAF Cc1nc2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc2cc1Br 586900463 CMADXKIIVHTTLE-RISCZKNCSA-N 344.212 3.598 0 1 EHAF C[C@@H]1C(=O)[C@@]2(C[C@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587818480 DUAJYLIZILXXDN-PXTZTZFBSA-N 340.236 3.563 0 1 EHAF Oc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587168569 JQBKDOKVDIIDKJ-UHFFFAOYSA-N 335.342 3.533 0 1 EHAF Cc1n[nH]cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989669 ODVLOJLUOASVFD-UHFFFAOYSA-N 327.343 3.850 0 1 EHAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(F)cnc2[nH]1 587167069 HBEWLEXFFSJUOT-CQSZACIVSA-N 343.337 3.605 0 1 EHAF Sc1nc(S)c2nc(-c3ncsc3-c3ccccc3)[nH]c2n1 587028577 WNXOYEVTAGCFIL-UHFFFAOYSA-N 343.462 3.721 0 1 EHAF CCC[C@H](O)[C@@]1(CCC)NCCc2cc3cccc(OC)c3nc21 963062134 ZXMVXULKZLOUPV-FXAWDEMLSA-N 328.456 3.546 0 1 EHAF COc1cc2c(cc1O)CCN(Cc1ccc(OC)c(OC)c1)[C@H]2C 13376580 DWWMSOMIMCXELY-ZDUSSCGKSA-N 343.423 3.537 0 1 EHAF biogenic N=C(N)Nc1ccc(NC(=O)c2cccc(-c3ccccc3)c2O)cc1 13444464 OFKBBMJLIRQERB-UHFFFAOYSA-N 346.390 3.617 0 1 EHAF Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1Cl 13800770 CSWUQNVUGRQASS-UHFFFAOYSA-N 342.826 3.957 0 1 EHAF CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 772537 NQMMFQKPYJNYNV-NVXWUHKLSA-N 328.799 3.520 0 1 EHAF CN1CCC[C@H]1COc1cnc(Cl)c(/C=C/c2ccccn2)c1 13474393 OCEYMQBTFQKTEZ-WAVCKPEOSA-N 329.831 3.773 0 1 EHAF COc1cc(SCCc2ccccc2)c(OC)cc1C[C@H](C)N 13641760 DLCYMWYHXKNVOC-AWEZNQCLSA-N 331.481 3.928 0 1 EHAF Fc1ccc(-c2ncoc2-c2ccc3nnc(N4CCCC4)n3c2)cc1 14961300 JKSVPILHZOTLQD-UHFFFAOYSA-N 349.369 3.791 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@@H](O)CC[C@H](C)[C@@]12C 36398906 FEVYLFPXBKQRPU-YZXFFQNQSA-N 346.423 3.748 0 1 EHAF C[C@@H](c1cccc(F)c1)n1cnc2c(Nc3cccc(N)c3)ncnc21 40934706 VKIGGKAXMPBIEE-LBPRGKRZSA-N 348.385 3.901 0 1 EHAF CSc1ccc2c(c1)N=C(N1CCN(C)CC1)c1cscc1N2 53275923 UZIHTUDXIVPXKT-UHFFFAOYSA-N 344.509 3.853 0 1 EHAF Clc1ccc(Cn2cc(CCCc3c[nH]cn3)nn2)cc1Cl 66114468 WLZIEQKPOAKLAQ-UHFFFAOYSA-N 336.226 3.532 0 1 EHAF NC1=N[C@@]2(c3cccc(-c4cncc(Cl)c4)c3)CCCC[C@H]2O1 95920694 NVRCQOQFKIFZLP-SJLPKXTDSA-N 327.815 3.885 0 1 EHAF in-vitro Fc1ccc(Nc2nc(NCc3ccccc3)nc3[nH]ncc23)cc1 96928443 OIDIVUKFWKFUKE-UHFFFAOYSA-N 334.358 3.848 0 1 EHAF OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(Br)cc2)CCC1 103964052 XBBDGVNDMAWZLB-CQSZACIVSA-N 345.200 3.712 0 1 EHAF CC[C@@]1(c2ccccc2)OC(=O)C[C@@]1(Cc1ccccc1)C(=O)OC 142751706 PNNSQDWCTWHUOH-SFTDATJTSA-N 338.403 3.641 0 1 EHAF C[C@@H](Cc1n[nH]c(=O)c2c1CCCC2)c1cccc(Br)c1 167533989 WXKXLYANSQVEQR-NSHDSACASA-N 347.256 3.757 0 1 EHAF COc1cc(CCCC/C=C/C(=O)N2CCCC2)cc(OC)c1OC 299821790 GOGGJPKIWPCYHP-YRNVUSSQSA-N 347.455 3.604 0 1 EHAF CCOCc1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)o1 586904057 YTXMJHWGZLHFIH-UHFFFAOYSA-N 340.152 3.656 0 1 EHAF O=Cc1cc(Br)cc(-c2nc3cc(Cl)cnc3[nH]2)c1 586982749 PLGJEEUILQOPTI-UHFFFAOYSA-N 336.576 3.853 0 1 EHAF Cc1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007684 NPDMBTCSRJSFIS-UHFFFAOYSA-N 327.185 3.949 0 1 EHAF CCOC(=O)C(F)(F)[C@H]1CCc2c(nc3cccc4c3c2CC4)C1 587210242 KWIWBERVACGWOO-LBPRGKRZSA-N 331.362 3.637 0 1 EHAF CCOC(=O)CNc1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 587226698 FGRZLAMLYDQVEO-UHFFFAOYSA-N 347.777 3.997 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc(C(F)(F)F)cs1)O2 587381945 IWSAUBBULBMYHW-CQSZACIVSA-N 342.342 3.933 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1Cl)OCO4)[C@@H](C2)C3=O 587424094 WZJNTEUUSPWUPY-VOJFVSQTSA-N 344.750 3.566 0 1 EHAF COC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCC1 587600527 OEABARBUNNUSAH-VQIMIIECSA-N 340.375 3.682 0 1 EHAF C[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCO1 587618281 TXGPKYWNZBFODL-NSISKUIASA-N 340.375 3.682 0 1 EHAF C(=C\c1ccccc1)\COCc1nc2cc3c(cc2[nH]1)OCCCO3 587781359 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327.222 3.552 0 1 EHAF CCCC(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1 73200083 TYXNFKCILBELPF-KRWDZBQOSA-N 329.465 3.875 0 1 EHAF COc1cc(C(=O)c2cc3ccc(F)cc3[nH]2)cc(OC)c1OC 72107793 CSQDDJBZMQDWIM-UHFFFAOYSA-N 329.327 3.564 0 1 EHAF COc1cccc(C/N=c2/c(-c3ccc(C(C)C)cc3)c(O)c2=O)c1 71928387 GXPSHRVKHQWVJA-QOCHGBHMSA-N 335.403 3.528 0 1 EHAF O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)c(Cl)c1 49109599 RITZJRAUYHPYLW-UHFFFAOYSA-N 339.842 3.597 0 1 EHAF CN(C)Cc1cccc(-c2cc3c(-c4cnn(C)c4)ccnc3[nH]2)c1 49110873 MENIKIFJGYYVNI-UHFFFAOYSA-N 331.423 3.692 0 1 EHAF Cc1cc(NCc2ccccc2Cl)c2cccc(C(N)=O)c2n1 473093453 UEEQKBORPDKMJQ-UHFFFAOYSA-N 325.799 3.908 0 1 EHAF COc1cc(OC)c2cc(-c3cn4nc(SC)sc4n3)oc2c1 653682408 ZLINPGLTZFGLTB-UHFFFAOYSA-N 347.421 3.943 0 1 EHAF Cc1oncc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793082 JLJRGSPFPMIXAK-ANRSDYALSA-N 339.208 3.682 0 1 EHAF COC(=O)c1ccnc2[nH]c(-c3cccc(-c4ccc(O)cc4)c3)nc12 586899026 VVWYWEPIRSJFKS-UHFFFAOYSA-N 345.358 3.784 0 1 EHAF C/C(=C\c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)C1CCCCC1 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340.354 3.778 0 1 EHAF N[C@@H](Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1cccc2ccccc12 587259229 RLOYCVONRFUBIY-INIZCTEOSA-N 349.365 3.796 0 1 EHAF Nc1ccnc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc12 587148383 CITFCSWHUOVEQE-MRXNPFEDSA-N 333.370 3.881 0 1 EHAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)cc(C)c2[nH]1 587232594 ZZCUWIXRNCJIQY-KGLIPLIRSA-N 349.862 3.561 0 1 EHAF Cc1cc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c(C)n1 587076551 MVJWLYKBYYQTAJ-HNNXBMFYSA-N 326.787 3.845 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1c(C)ccc(F)c12 962961260 WRDYQUQEVMNAJB-LAJNKCICSA-N 349.409 3.735 0 1 EHAF CCN(CC)c1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)cc1 16598580 YIKPSGIZJLFMAW-UHFFFAOYSA-N 349.438 3.674 0 1 EHAF COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1cc(C)cc(C)c1C2=O 5539738 ZBQOWEKJGGQRMW-UTKZUKDTSA-N 348.402 3.817 0 1 EHAF COc1ccc(C2=NN(C(C)(C)C)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474078 NWSUWPQBMXRCDD-LSDHHAIUSA-N 344.455 3.855 0 1 EHAF C[C@@H]1CCC[C@@H](n2cnc3c(sc4nccc(N(C)C)c43)c2=O)C1 13676130 ZAFIKJPXKKFWNF-VXGBXAGGSA-N 342.468 3.823 0 1 EHAF CN(C)CC[C@@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 13684708 PSPCYPPUHQRSMJ-GOSISDBHSA-N 330.859 3.692 0 1 EHAF c1ccc(CN2CCN(c3nc4sccc4n4cccc34)CC2)cc1 13755964 OYASVWZGKNBLSA-UHFFFAOYSA-N 348.475 3.871 0 1 EHAF O=C1NC(=O)[C@H](Cc2ccc3c(c2)C[C@@H](CC2CCCCC2)O3)S1 26946913 FHIFNHSHFZBCSX-WBVHZDCISA-N 345.464 3.855 0 1 EHAF O=C1C[C@H](c2ccccc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27094802 KNSYTOLHUVRIPV-GFCCVEGCSA-N 339.778 3.805 0 1 EHAF CN1CCc2cccc3c2[C@@H]1Cc1ccc(Br)c(O)c1-3 27706040 LOSIOYLXOVSGIE-AWEZNQCLSA-N 330.225 3.907 0 1 EHAF CC(C)=CC[C@@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(CCO)CC[C@H]1O2 27882083 NVOIVNCGPIYQLV-LTFPLMDUSA-N 340.504 3.599 0 1 EHAF O=C(O)C1=Cc2cc([C@@H](c3ccccc3)n3ccnc3)sc2CC1 28262557 RTSFYQCKYBFVGL-GOSISDBHSA-N 336.416 3.997 0 1 EHAF C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CC[C@H]2C[C@@]2(C)[C@@H]1CC3=O 34302899 GPIGVCZXQKXKDE-UENNIIOHSA-N 328.408 3.702 0 1 EHAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3ccsc3)cc1)N2 36271333 BFMOQGLGYMZXPC-ZJPYXAASSA-N 327.449 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COc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2O)cc1 299840491 XKPGGURLSDNEFA-MRXNPFEDSA-N 335.812 3.833 0 1 EHAF C[C@]1(c2nc3cc(F)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 587154106 CVOAMRWZWLWBDH-QGZVFWFLSA-N 349.287 3.910 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N)N1 587748133 UXOKZSLRVJSDQC-XXFAHNHDSA-N 335.220 3.794 0 1 EHAF Cc1c(F)ccc2c1C1(CCC(O)(c3ccccc3)CC1)NCC2 962298546 MRWQGYVJHVNOQN-UHFFFAOYSA-N 325.427 3.937 0 1 EHAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cnc2c(c1)OCCN2C 963228047 KLFMREYWRUTTGM-YWZLYKJASA-N 337.467 3.656 0 1 EHAF Cc1nc(O)cc(C[S@](=O)C(c2ccccc2)c2ccccc2)n1 1772610092 CDOQKJHSDKVELR-DEOSSOPVSA-N 338.432 3.529 0 1 EHAF CCCN=c1[nH]c2nc3c(c(-c4ccccc4)c2s1)CCC(=O)C3 1857541078 LQKFPUAHZMMETD-UHFFFAOYSA-N 337.448 3.660 0 1 EHAF O=C1N[C@H](c2cccc(C(F)(F)F)c2)c2c(-c3ccccc3)n[nH]c21 199890223 ZGCCBEHXMOXCID-CQSZACIVSA-N 343.308 3.928 0 3 EHAF COc1ccc2c(c1)C[C@@H]([C@@H]1COc3ccc(OC)cc3C1)CO2 33829934 JIOZHCBHVFCIAC-IYBDPMFKSA-N 326.392 3.506 0 1 EHAF biogenic,in-vitro 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3.830 0 1 EHAF CCCOc1ccc(C(=O)Nc2c(O)oc3ccccc3c2=O)cc1 103568156 JEECUOMAKLBUTH-UHFFFAOYSA-N 339.347 3.540 0 1 EHAF CC1([C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)NN1 253644964 JHDIOWXROSUEFV-AIFSHUDHSA-N 330.516 3.750 0 1 EHAF C[C@@H]1C(=O)CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586990180 JLOCOXJEIOMMGR-SNVBAGLBSA-N 329.355 3.771 0 1 EHAF Cc1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2n1 587074750 XGRIBUKWJVQVRA-UHFFFAOYSA-N 338.802 3.535 0 1 EHAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3cn[nH]c3cc2[nH]1 587112162 JULFFYQQFAYASP-LBPRGKRZSA-N 345.328 3.701 0 1 EHAF O=C1CCc2cc3nc([C@@H]4C[C@H]4c4cccc(F)c4F)[nH]c3cc2N1 587151434 HWVYCPKIBNFAPQ-NWDGAFQWSA-N 339.345 3.997 0 1 EHAF Fc1cc(Br)cnc1-c1nc2c(F)cnc(Cl)c2[nH]1 587156217 ZYOVCOSBWUXMRM-UHFFFAOYSA-N 345.534 3.714 0 1 EHAF COc1cc2nc(-c3cccc(NC(N)=O)c3C)[nH]c2cc1Cl 587239289 JARCXBKRBXITJS-UHFFFAOYSA-N 330.775 3.691 0 1 EHAF CN(C)/C=C/[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337669 OIPNVVBHPHUDNG-FKDVYQRFSA-N 341.382 3.724 0 1 EHAF C[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355256 CUVVSZMKGRMIHD-OACQNMCBSA-N 342.366 3.685 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc3c1OCCC3)O2 587383910 HMVCERDMUZBJJW-KRWDZBQOSA-N 327.355 3.748 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccc3F)nc1)O2 587385866 QUDDRGSTVMLFLK-GOSISDBHSA-N 349.365 3.880 0 1 EHAF COC[C@@]1(c2cccc(Cl)c2F)CC(=O)c2cc(C)cc(N)c2O1 587387036 ZAOXEGHCZVUUSA-GOSISDBHSA-N 349.789 3.877 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(s1)C[C@H](C)CC3)O2 587414647 NYNDZRGENDXAQY-PSLIRLAXSA-N 328.437 3.865 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)C)n(C)n1)CC2=O 587476243 QUTTUPANRSLUAQ-SFHVURJKSA-N 328.412 3.908 0 1 EHAF C[C@@H](O)c1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535022 HGQQPFLEABRSOB-BMIGLBTASA-N 329.421 3.782 0 1 EHAF CCCC[C@@]1(C(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602370 JNZKBIXEOCOVPU-XLIONFOSSA-N 340.375 3.872 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1 587607335 IALUSXSEDLJMTA-PXNSSMCTSA-N 334.327 3.801 0 1 EHAF CC(C)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)F 587648683 FSAVJDLHCNNXQA-UHFFFAOYSA-N 347.358 3.515 0 1 EHAF CC(=O)[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813186 MXDNUDSEXPNBDP-OLBFVZFUSA-N 328.225 3.563 0 1 EHAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587962442 JJDYKSRDRZETHJ-RYUDHWBXSA-N 334.423 3.552 0 1 EHAF Cc1ccc(C2=NN3C(=O)COc4ccc(Cl)cc4[C@H]3C2)cc1 653697696 SIDGWCLEXMLXDD-MRXNPFEDSA-N 326.783 3.719 0 1 EHAF CC(C)[C@@H]1CC[C@]2(C1)N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c12 962965645 LOQNNGJIGCKRAY-HXEOFFAUSA-N 343.801 3.869 0 1 EHAF Cc1[nH]nc2c1C(c1ccc(Br)cc1)c1c(n[nH]c1C)O2 1772607004 XKAFQLOKKRYCHB-UHFFFAOYSA-N 345.200 3.798 0 1 EHAF CCn1c(S)nnc1Cn1c(-c2ccccc2)nc2ccccc21 1857571550 FKZDULITIRQPPG-UHFFFAOYSA-N 335.436 3.652 0 1 EHAF COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2ccc(O)cc2)C1 11932773 FYEXDTKEGFFWEQ-OAHLLOKOSA-N 343.398 3.635 0 3 EHAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@@H]1CC(=O)O[C@@H]12 254019070 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N=C(N)c1ccc2nc(-c3cccc(OC4CCCC4)c3O)[nH]c2c1 12354873 WCFWDBPDMBXMTQ-UHFFFAOYSA-N 336.395 3.541 0 1 EHAF in-vivo C[C@H](CC[C@@H]1[C@@](C)(O)C[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]12C)CC(=O)O 15061319 PMWPGPVEWNULGV-YKNLCDAHSA-N 340.504 3.842 0 1 EHAF C[C@@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CC(C(F)(F)F)=NN1 28710428 OJLSPQBFHFYRFL-NSHDSACASA-N 340.132 3.602 0 1 EHAF COc1ccc(-c2cc(C(F)(F)F)nc(-n3nccc3C)n2)cc1 33738736 YRFKFEIQAYKSMF-UHFFFAOYSA-N 334.301 3.665 0 1 EHAF COc1ccc2c(c1)c(C1(CNC(=O)C3CC3)CCCC1)cn2C 35906090 KTPQYVCIQCBLCF-UHFFFAOYSA-N 326.440 3.525 0 1 EHAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@H]2[C@@H](O)C(F)(F)F 58555675 FSULAQVXMVICFX-UXXRCYHCSA-N 333.781 3.830 0 1 EHAF O=C(c1cccc(-n2sc3ccccc3c2=O)c1)N1CCCCC1 64691568 BVZDVZBFUGVIRK-UHFFFAOYSA-N 338.432 3.678 0 1 EHAF O=C(O)c1ccc(C(=O)Nc2cc3c4c(c2)CCCC4CCC3)nc1 96907585 VGIHJJVOCLDCGX-UHFFFAOYSA-N 336.391 3.788 0 1 EHAF Cc1ccccc1[C@@H](c1ccc2cccnc2c1O)N1CCOCC1 115635015 GDKPKXYTPREKMU-FQEVSTJZSA-N 334.419 3.670 0 1 EHAF 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CC1(C)COCC[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961746362 CZWPCNDFOZSYDT-KRWDZBQOSA-N 336.273 3.769 0 1 EHAF Cc1c(F)ccc2c1[C@H](c1ccc(CN3CCSCC3)o1)NCC2 962301388 RLGSWRPNRKTUGG-IBGZPJMESA-N 346.471 3.511 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc3c2C(=O)NC3)N1 962947131 NEOWJZMCJHXXFG-PEBXRYMYSA-N 345.446 3.599 0 1 EHAF CN1C(=O)C[C@H]2CN[C@](C)(C(F)(F)c3ccccc3)c3cccc1c32 963021469 JKLAYTZCTJBJHQ-DJJJIMSYSA-N 342.389 3.747 0 1 EHAF COc1ccc(C[C@H]2NCCc3cnc4c(OC)cccc4c32)cc1 963038049 RLGODWZFOLWGBE-GOSISDBHSA-N 334.419 3.682 0 1 EHAF Fc1ccc([C@H]2NCCc3cccc(Cl)c32)cc1N1CCOCC1 963391235 QRJYXEPEVHYLHY-LJQANCHMSA-N 346.833 3.551 0 1 EHAF NC(=O)c1ccc(F)c(-c2ccc3nccc(-c4ccncc4)c3n2)c1 1857752890 ZIYOFFBMDIJQDO-UHFFFAOYSA-N 344.349 3.597 0 1 EHAF CC(C)=CC(=O)O[C@@H]1C[C@H](C)[C@]2(C)CC3=C(C)C(=O)O[C@@H]3C[C@H]2C1 2356629499 HVYJQUZFHNFBAD-CAIJUHLFSA-N 332.440 3.953 0 1 EHAF CCCC[C@@H](CCCCC(=O)O)c1ccc(S(=O)(=O)O)cc1 2356849672 PLMAIIGPUFQJCH-ZDUSSCGKSA-N 328.430 3.852 0 1 EHAF O=C(Nc1ccccc1)[C@@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 61925876 ZMOFMVFASKJQBA-SFHVURJKSA-N 334.350 3.830 0 3 EHAF COc1cccc(-c2noc([C@@H]3CCCCN3C(=O)C3CCC3)n2)c1 324816 MBAGGIFLYQBGOQ-INIZCTEOSA-N 341.411 3.599 0 1 EHAF COc1ccc2[nH]cc(CCNc3cc(-c4ccoc4)ncn3)c2c1 4268300 SPFCQIWQUQIQBH-UHFFFAOYSA-N 334.379 3.881 0 1 EHAF CCCc1ccc(/C=C2\CN3[C@H]4CC[C@@H]3[C@@H](C(=O)OC)[C@@H]2C4)s1 13553730 WPYLGFOVJBBYHQ-FYJPTBEHSA-N 331.481 3.740 0 1 EHAF COc1cccc(-c2cc(O)c3cc(Br)cnc3n2)c1 13763755 KCTSLLNFDQITJQ-UHFFFAOYSA-N 331.169 3.774 0 1 EHAF C1=C(c2occc2-c2ccc(N3CCOCC3)cc2)C2CCN1CC2 13766651 CBDJZHFJKQNGLM-UHFFFAOYSA-N 336.435 3.850 0 1 EHAF C[C@@H]1CC[C@H]2CC(=O)O[C@H]3O[C@@]4(CCc5ccccc5)CC[C@@H]1[C@@]23O4 26825406 BLGPIPDZAGONIW-UUFHMWEXSA-N 342.435 3.830 0 1 EHAF CC(C)CCC(=O)[C@@H](C)CCC[C@]1(C)OC[C@@H](CCO)CC[C@H]1O 27887217 BXKQYIKPTRBPOZ-CUDHKJQZSA-N 342.520 3.727 0 1 EHAF O=C1Nc2cc(C(F)(F)F)ccc2[C@@]1(O)c1cccc(Cl)c1 28256642 ORTNBVDGUJUFLD-AWEZNQCLSA-N 327.689 3.547 0 1 EHAF CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1 28571675 BKIXSCDBYYIHQI-UHFFFAOYSA-N 348.381 3.825 0 1 EHAF O=C(Nc1ccc(Cl)cc1)c1ncccc1NCc1ccncc1 28957043 PAKQOXUFEOQJMO-UHFFFAOYSA-N 338.798 3.994 0 1 EHAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1cc2ccccc2s1 36176551 PTQZZXVZLMXUFN-CDHQVMDDSA-N 337.444 3.949 0 1 EHAF CN1CCC[C@H]1[C@H]1C[S@@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 40429662 UNZBDOQVZFAUNP-SMOZNVCYSA-N 347.524 3.661 0 1 EHAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)N1CC3(CCCC3)c3ccccc31)C2 100808129 UGFCUUPIWIGRMD-IAGOWNOFSA-N 339.483 3.653 0 1 EHAF COc1ccc(CNC(=O)/C=C/c2c[nH]c3ccccc23)cc1OC 103271103 VOSROYZYPHSGGL-CSKARUKUSA-N 336.391 3.515 0 1 EHAF O=C1C=C(Br)/C(=C/Br)N1c1ccccc1 136892786 YPYMZDQZXVHVRV-YFHOEESVSA-N 328.991 3.548 0 1 EHAF N=c1oc2c(O)cccc2cc1C(=O)Nc1ccccc1C(F)(F)F 166498188 CNJDAVIXUMTMCU-UHFFFAOYSA-N 348.280 3.889 0 1 EHAF CO[C@H]1CC[C@H]1N1C(=O)CS[C@@H]1c1c(Cl)cccc1Cl 169368179 JWBWEGWRAAKCHC-UHIISALHSA-N 332.252 3.745 0 1 EHAF Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1cn[nH]c(=O)c1C 169705974 HHOPVIWFAOYGJI-UHFFFAOYSA-N 332.363 3.722 0 1 EHAF CC(C)CC1=N[C@@H](Cc2ccccc2)C(=O)c2c(nc3ccccn23)N1 200220534 JSNYTUBALYXTRZ-INIZCTEOSA-N 346.434 3.998 0 1 EHAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(O)cc3[nH]2)cs1 587020067 FGUZJCCPSHQLPB-UHFFFAOYSA-N 346.412 3.663 0 1 EHAF Oc1ncnc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 587062765 LBUCPABRRQLZMX-UHFFFAOYSA-N 336.782 3.970 0 1 EHAF Cn1cc(-c2nc3cc(Br)ncc3[nH]2)c(C(F)(F)F)c1 587112114 KVARYKIXYCSGOA-UHFFFAOYSA-N 345.122 3.745 0 1 EHAF Nc1c(F)cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1F 587135289 YGVRGIMDRXMGMT-UHFFFAOYSA-N 329.228 3.989 0 1 EHAF COc1ncc(F)cc1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 587175573 FOGIJPKNPGXCIK-UHFFFAOYSA-N 329.228 3.931 0 1 EHAF Nc1cccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1C(=O)O 587248027 ADHNNDNFZUPQCJ-UHFFFAOYSA-N 339.248 3.668 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cnccn3)cc1)O2 587393265 DMBSIUWYCHKQCF-SFHVURJKSA-N 347.374 3.866 0 1 EHAF COC(=O)CCCC[C@H](C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401337 WGTOLRYXZIKRDD-DJJJIMSYSA-N 333.428 3.671 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CCCc3n[nH]c(C)c31)CC2=O 587478141 AIRBKPLZBUHFQI-LJQANCHMSA-N 326.396 3.573 0 1 EHAF CNC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513931 VAXQYDLTFFNQLO-IBGZPJMESA-N 335.403 3.632 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1O 587607291 HNNZBXSFGWBFDU-XLIONFOSSA-N 334.327 3.801 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ncccc32)N1 587777964 KGSBPLVWMVRWIQ-QGHHPUGFSA-N 347.231 3.707 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCSC2)N1 587858768 UEKYXJAHMAUKKO-ITMYJUKJSA-N 330.266 3.917 0 1 EHAF Cc1cc2c(cc1F)[C@](Cc1ccccc1)([C@@H]1CCCNC1)NCC2 962298569 MYKPXGSPEJFIBW-KNQAVFIVSA-N 338.470 3.717 0 1 EHAF CCc1cccnc1[C@]1(C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962619981 HYNRPMJKARPTDM-QKKBWIMNSA-N 340.467 3.801 0 1 EHAF Cc1ccnc2c1CCN[C@@H]2[C@H](CC1CCC1)NC(=O)OC(C)(C)C 963073675 XPHZULLBJBDQGK-FUHWJXTLSA-N 345.487 3.660 0 1 EHAF C[C@]1(c2ccc3c(c2)CNCC3)c2c(F)cccc2C[C@H]2CCCN21 963112518 TVVMYBLTQCOTHS-KNQAVFIVSA-N 336.454 3.755 0 1 EHAF Cc1cc(=O)c2c(O)c3c(c(C=CC(C)(C)O)c2o1)OC(C)(C)C=C3 2356523289 MEDZOWDIKBGDII-UHFFFAOYSA-N 342.391 3.775 0 1 EHAF CC=Cc1ccc(O[C@H](C)[C@@H](O)c2ccc(O)c(OC)c2)c(OC)c1 2356587026 WCFYXOLUODJLKB-ZUOKHONESA-N 344.407 3.943 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)Cc3occ(C)c3C[C@H]2[C@@]1(C)O 2356672581 PWBVCFWIHKMIKC-HNBVOPMISA-N 332.440 3.732 0 1 EHAF CO[C@@H](c1ccccc1)[C@H](C)[C@H](OC)[C@@H](C)[C@@H](OC)[C@@H](C)C(C)=O 13783006 WPRYXYGHRKNLKD-GCAZHLJYSA-N 336.472 3.901 0 1 EHAF CCOC(=O)C(=CNc1cccc(-c2ccccc2)c1)C(=O)OCC 14956351 OIXUYKLSAZTIDZ-UHFFFAOYSA-N 339.391 3.776 0 1 EHAF in-vivo Cc1c(N2CCC(C)CC2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 27556159 BEIMVHONDGQRJW-UHFFFAOYSA-N 340.423 3.579 0 1 EHAF CCCOc1oc(=O)c2cc(NC(=O)CSC)ccc2c1Cl 27635458 SEWCNMFGRAPOON-UHFFFAOYSA-N 341.816 3.537 0 1 EHAF O=C1CCCC/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2C1 38443836 YUZYDHRGGDTZLG-DUXPYHPUSA-N 338.787 3.540 0 1 EHAF in-vivo C[C@]1(c2ccccc2)CCCN(C(=O)NCCCc2cccnc2)C1 49014055 ALFVRYXSTFHIKR-NRFANRHFSA-N 337.467 3.778 0 1 EHAF O=C1[C@H]2CCCN2[C@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 58047346 CGEDFDWQUDCEAB-SJORKVTESA-N 330.790 3.989 0 1 EHAF Cc1cc(C)c(O)c(C(=O)c2cnn(-c3ccc(F)c(F)c3)c2)c1 58592438 PPTUPWBUUMGKOW-UHFFFAOYSA-N 328.318 3.704 0 1 EHAF CN(C)CCOc1ccc(COc2ccc(C(=O)C3CC3)cc2)cc1 66258583 MZIJUPSWZLKCOY-UHFFFAOYSA-N 339.435 3.799 0 1 EHAF COCCn1cnc2cnc(Nc3ccc(C(F)(F)F)cc3)cc21 74388703 ZOPVPFXLJPZQNV-UHFFFAOYSA-N 336.317 3.840 0 1 EHAF CC(C)CNc1ncnc2c1nc(C(C)C)n2CC[C@@H]1CCCN1C 82178132 MPTZHJXMZNRVKM-HNNXBMFYSA-N 344.507 3.502 0 1 EHAF COc1cc2ncnc(Nc3ccc4nc(C)[nH]c4c3)c2cc1OC 95589325 BTBAPAQGUCZBOA-UHFFFAOYSA-N 335.367 3.575 0 1 EHAF C[C@H]1CC(=O)C[C@@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 100790804 HOYGOGLDLPJTHF-AMAIZTLDSA-N 339.479 3.676 0 1 EHAF CC(C)=CCc1cc(O)ccc1OC(=O)c1c(C)cc(O)cc1O 238756679 MKTUMKHNZXWOIQ-UHFFFAOYSA-N 328.364 3.840 0 1 EHAF O=Cc1cc(Br)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 586983294 YKOGGKWQPPFALQ-UHFFFAOYSA-N 341.168 3.681 0 1 EHAF Sc1nc(S)c2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2n1 587080245 NYXZPMPOYYEOKO-UHFFFAOYSA-N 347.856 3.587 0 1 EHAF COC(OC)c1ccc(F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587381569 JECJFNGYDJYHIY-KRWDZBQOSA-N 345.370 3.714 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1Cc1cccnc1)O2 587392574 ZRZVHIBNTIZEIT-LJQANCHMSA-N 333.391 3.529 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@]13C[C@@H]4C[C@@H](C[C@@](O)(C4)C1)C3)O2 587405882 YWCVMRRQQPOVQJ-QBMNRHOTSA-N 341.451 3.632 0 1 EHAF Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587585621 FKDDCCIVSKPNMP-FXAWDEMLSA-N 348.358 3.502 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC1CCOCC1 587612031 TVAGSJFRYBPDJF-ROUUACIJSA-N 340.375 3.539 0 1 EHAF COc1cc(-c2[nH]c3c(C)cc(Cl)cc3c2CC(=O)O)ccn1 587627473 XUGHHTORWBOISY-UHFFFAOYSA-N 330.771 3.827 0 1 EHAF COC(=O)Cc1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587783291 MQRKQYUWECZXNE-UHFFFAOYSA-N 336.178 3.647 0 1 EHAF CCCC(=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812807 KTHJFDJFWCKFQT-VFZGTOFNSA-N 328.225 3.707 0 1 EHAF COc1cccc(C2(c3nc4ccc(C(=N)N)cc4[nH]3)CCCC2)c1 587933501 PVVBSCBSZFPNCG-UHFFFAOYSA-N 334.423 3.716 0 1 EHAF Cc1cc2c(cc1F)[C@](C)(c1cccnc1Br)NCC2 962373835 KBLRICBVSDVFMC-INIZCTEOSA-N 335.220 3.701 0 1 EHAF Cc1ccnc2c1CCN[C@@]2(C)c1cnn(-c2cccc(Cl)c2)c1 963067720 AARVOATWWRPPFQ-IBGZPJMESA-N 338.842 3.638 0 1 EHAF Cc1cc(C)n(C(=O)c2coc(-c3ccc(Br)cc3)n2)n1 1772657661 ZBDIPJCOFNALMU-UHFFFAOYSA-N 346.184 3.606 0 1 EHAF COc1ccc(N=c2nc(-c3ccc[nH]3)[nH]c3ccccc23)cc1OC 1857573524 NYRQNTJRMWEOOQ-UHFFFAOYSA-N 346.390 3.808 0 1 EHAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2[C@H](OC)C[C@@]2(C)C(=O)CCC[C@H]12 2356381968 HZJBJVDHAZGTAN-DJMXQGPCSA-N 344.451 3.841 0 1 EHAF C[C@H](CC[C@@H]1[C@](C)(O)[C@H](O)C[C@@H]2C(C)(C)CCC[C@]12C)CC(=O)O 2356783265 LACGHZYLBIIQEJ-MGTDTEAMSA-N 340.504 3.842 0 1 EHAF CNc1cccc(CCOc2ccc3c(CCC(=O)O)coc3c2)n1 1491431 XXGGOJFTDMPZAG-UHFFFAOYSA-N 340.379 3.508 0 1 EHAF CN(C)C(=O)c1ccc(-c2nccc(Nc3ccc(F)cc3)n2)cc1 4264501 ASHLILDDDYQEIB-UHFFFAOYSA-N 336.370 3.728 0 1 EHAF CCn1c(O)c([C@@H](C)Nc2cccc(OC)c2)c(=O)c2ccccc21 5686897 BFJAHTSXUPCLKI-CYBMUJFWSA-N 338.407 3.909 0 1 EHAF biogenic O=C(O)CCSCC(=O)COc1ccc(Oc2ccccc2)cc1 13472815 OKMGNIIRJUYFIP-UHFFFAOYSA-N 346.404 3.635 0 1 EHAF Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(Cl)cc1 13831351 QDAPWMKWLVMBBU-UHFFFAOYSA-N 327.767 3.919 0 1 EHAF COc1ccc2c(c1OC)Oc1c(OC)ccc3c1[C@H](C2)N(C)CC3 14690995 WXFLVVMTZWLCTQ-AWEZNQCLSA-N 341.407 3.590 0 1 EHAF biogenic COP(=O)(OC)O[C@@H](C1CCCCC1)P(=O)(OC)OC 29220417 JIQGFQOTCOGWOQ-LLVKDONJSA-N 330.254 3.796 0 1 EHAF CCOc1ccc([C@H]2C[C@@H]2c2nnc3c4ccccc4cnn23)cc1 49055432 ZKIVPTMNBDORCE-MSOLQXFVSA-N 330.391 3.947 0 1 EHAF COc1cc(/C=C/c2nnc(-c3ccco3)o2)cc(OC)c1OC 96284426 SEOVTKAZJPJZPK-VOTSOKGWSA-N 328.324 3.526 0 1 EHAF Cc1ccc(OCc2nnc(Nc3ccccc3C(=O)O)s2)cc1 103177095 NTEGBCFENBLNDE-UHFFFAOYSA-N 341.392 3.867 0 1 EHAF CCOC(=O)C1=C[C@H](c2ccc(F)cc2)[C@H]2C(=O)CC(C)(C)CC2=N1 169723785 YSHAWDSMLPOQOW-RDTXWAMCSA-N 343.398 3.816 0 1 EHAF O=C(Nc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1)C1CC1 220121699 DMXSSNSUWXAGNE-UHFFFAOYSA-N 342.420 3.683 0 1 EHAF COc1cc(F)ccc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12 226089888 AUNVIXGOAIFEQQ-LBPRGKRZSA-N 325.387 3.845 0 1 EHAF COc1ccc(CN2C[C@H]3CCC[C@H]2CN3Cc2ccccc2)cc1 261101925 GMUOMGSEWQGKDD-RTWAWAEBSA-N 336.479 3.934 0 1 EHAF O[C@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C1CCOCC1 586913581 NJDHSAZSQBJEJP-LBPRGKRZSA-N 334.725 3.695 0 1 EHAF COC(=O)[C@@H](C)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990312 CPOMKMFIYIIIOA-NSHDSACASA-N 347.370 3.503 0 1 EHAF Cc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2c(C)n1 587007080 VHBKEGXMTKPJAV-UHFFFAOYSA-N 342.200 3.652 0 1 EHAF CSc1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 587044276 YOIPFSSZFOCLNF-CYBMUJFWSA-N 335.498 3.905 0 1 EHAF CCOc1n[nH]c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1Cl 587065592 UWYKTCJSRVCVFO-UHFFFAOYSA-N 332.578 3.707 0 1 EHAF COC(=O)c1cc2[nH]c(-c3ccc(Cl)cc3OC)nc2cc1OC 587066608 OKKCBSYFLGVCPN-UHFFFAOYSA-N 346.770 3.687 0 1 EHAF Clc1ccc(C2=C[C@@H](c3nc4cc(Cl)cnc4[nH]3)ON2)cc1 587076985 QCRFOWCTVMHXMR-ZDUSSCGKSA-N 333.178 3.882 0 1 EHAF FC(F)(F)c1ccn(CCc2nc3ccc4c(c3[nH]2)CCCC4)n1 587118835 RCVXEPYFQMTSGB-UHFFFAOYSA-N 334.345 3.900 0 1 EHAF CC(=O)[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587377781 JSXDQCQBEHSYEY-SFHVURJKSA-N 329.783 3.680 0 1 EHAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1F)(C1CC1)[C@@H](C2)C3=O 587426149 LTPKKKKQHICFOM-KKSFZXQISA-N 338.378 3.973 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cn(C)nc1-c1ccccc1)[C@@H](C2)C3=O 587430724 GKKUKYQZZLMHJY-BTYIYWSLSA-N 346.386 3.584 0 1 EHAF Cc1ccc(C)c2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521235 AZPRPROYONHMPR-JOCHJYFZSA-N 347.414 3.995 0 1 EHAF CCOC(=O)[C@@H]1[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C 587522871 INXPNVMNKFXXPV-KURKYZTESA-N 342.435 3.735 0 1 EHAF CCC[C@@]1([C@@H](C)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587523639 LOIIANVKKJPSMI-RBZFPXEDSA-N 330.424 3.879 0 1 EHAF Cc1ncn(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c1C 587623099 KTHUCSVDFYVWHP-UHFFFAOYSA-N 344.216 3.918 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)o2)N1 587830775 URKXZXZMYQOHGA-ANRSDYALSA-N 338.176 3.617 0 1 EHAF COc1ccc(OC)n1-c1cnc2cc(Br)ccc2c1 587941689 VLVNKSFUBBMGKG-UHFFFAOYSA-N 333.185 3.805 0 1 EHAF CC(=O)COc1cccc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1 963109883 PZVURWWJUZSXDD-UWJYYQICSA-N 339.410 3.903 0 1 EHAF O=C(/C=C/c1ccccc1F)Nc1ccc(CC2=CC(=O)OC2)cc1 1772590476 KKNBHNPKENSUPI-JXMROGBWSA-N 337.350 3.503 0 1 EHAF C[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(F)cc3)=NN2C1=O 1857746310 SIPQOEKTGLDIQD-MGPLVRAMSA-N 344.773 3.938 0 1 EHAF COc1ccccc1-c1nc(C)c(COc2cccc(C(=O)O)c2)o1 1857759106 XSCVRDILABREMU-UHFFFAOYSA-N 339.347 3.936 0 1 EHAF C[C@@H]1CCC2=C(C[C@@H]3C[C@]2(C)C(=O)O3)[C@@]12C=C(c1ccoc1)OC2=O 1911583971 PWHXJJUWYAVGOF-GGBMSEQBSA-N 340.375 3.616 0 1 EHAF CCOc1cc(-c2sc(Nc3ccccc3)n[n+]2C)ccc1OC 15936257 RAGDXHLNEGBOHB-UHFFFAOYSA-N 342.444 3.786 0 3 EHAF O=C(Cc1c(C(=O)O)[nH]c2ccccc12)N[C@@H]1CCCc2ccccc21 201620 YGLWJDCAJGCCHU-QGZVFWFLSA-N 348.402 3.602 0 1 EHAF O=C1Cc2c([nH]c3ccc(Br)cc23)-c2cccc(O)c2N1 1861414 VPNVMVMFLHEGBV-UHFFFAOYSA-N 343.180 3.798 0 1 EHAF CCN(CC)CCOCCNCC1(c2ccccc2)CCCCC1 26938719 CVJIAVHGDIKHLF-UHFFFAOYSA-N 332.532 3.837 0 1 EHAF Cc1c([C@H](C)c2c(Cl)cccc2Cl)nc(N(C)C)[nH]c1=O 28866664 MROOZAQNWNYRKA-MRVPVSSYSA-N 326.227 3.603 0 1 EHAF Cc1cc2c(n1[C@@H](Cc1ccccc1)C(=O)O)CC(C)(C)CC2=O 28873190 FRHLOLGZXIIJND-INIZCTEOSA-N 325.408 3.820 0 1 EHAF C[C@H](Oc1cccc2nc(N)nc(N)c12)c1cccc(C(F)(F)F)c1 28971532 LJQSGWVHQFAIDI-VIFPVBQESA-N 348.328 3.953 0 1 EHAF CO[C@@H](Cc1ccccc1)[C@@H](C)C[C@@H](C)CC[C@H](N)[C@H](C)C(=O)O 33821182 SWTFXINHZPXNOX-QAGGRKNESA-N 335.488 3.735 0 1 EHAF in-vitro O=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2c(C(=O)O)cccc12 35086953 BUURFEBHWKABOP-UHFFFAOYSA-N 343.722 3.657 0 1 EHAF Cn1cc(-c2nc(N)ncc2-c2ccc(C(=O)O)cc2)c2ccccc21 43118564 KQLPIHFVVIWKMP-UHFFFAOYSA-N 344.374 3.583 0 1 EHAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O2 44606647 KBFCVOAVUKWCPS-UAAPODJFSA-N 336.472 3.523 0 1 EHAF CN(c1ccc(F)c(Cl)c1)c1ncnc2cc3c(cc12)OCO3 64454418 DGVWFWLLYSBAQS-UHFFFAOYSA-N 331.734 3.919 0 1 EHAF CN1CCC[C@H]1CCNC(=O)c1cc(-c2ccco2)nc2ccccc12 66156546 JNWYEODEBAGYHC-HNNXBMFYSA-N 349.434 3.709 0 1 EHAF CCOc1ccc2[nH]ccc2c1-c1cc2nc(N)nc(N)c2cc1C 72116524 PMYSHQIRGNMQPJ-UHFFFAOYSA-N 333.395 3.650 0 1 EHAF COc1cc(C)c2nc3[nH]nc(C)c3c(NC[C@H]3CCCCO3)c2c1 82157544 RCUCFFJDNMXZAV-CYBMUJFWSA-N 340.427 3.718 0 1 EHAF COc1cc(/C=C2/C(=O)Nc3cccc(Cl)c32)cc(OC)c1OC 102226902 QFNDMZQPAINLDZ-YRNVUSSQSA-N 345.782 3.859 0 1 EHAF CC(=O)C[C@H]1c2cc(Cl)ccc2N=C(n2ccnc2)N1C(C)C 103182386 XGOVOQFDCBFCKP-INIZCTEOSA-N 330.819 3.817 0 1 EHAF O=C(Nc1ccc(CC[C@H]2CCNC2)cc1)c1ccc(Cl)cn1 117717325 WCTBUVFUFIYOJI-AWEZNQCLSA-N 329.831 3.529 0 1 EHAF Cc1c(Cc2ccccc2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 148614183 SGTJAMGXADOOSH-UHFFFAOYSA-N 336.198 3.999 0 1 EHAF FC(F)(F)c1cccc(COc2nn3cnnc3c3ccccc23)c1 205837656 UXVVJBJWUVEMSK-UHFFFAOYSA-N 344.296 3.875 0 1 EHAF COc1cccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12 586982180 HYKTULGBJDNXLP-UHFFFAOYSA-N 331.169 3.814 0 1 EHAF O=C(O)C[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989967 HBZNVZBCNQNSGJ-JTQLQIEISA-N 345.354 3.656 0 1 EHAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587148826 CZDHQIKLGGSVIO-ZETCQYMHSA-N 330.294 3.563 0 1 EHAF Cc1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2n1 587205438 RDYCSZVNTIEKSA-ZDUSSCGKSA-N 332.448 3.748 0 1 EHAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(Cl)nc2[nH]1 587232998 HGTRPMKFFQAHHN-UWVGGRQHSA-N 336.823 3.772 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3cccs3)nn1C)O2 587411019 AKTAFAZSQADHDB-MRXNPFEDSA-N 339.420 3.746 0 1 EHAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc[nH]c1)[C@@H](C2)C3=O 587437166 FACSGKVAIGKZPE-UWJYYQICSA-N 331.371 3.715 0 1 EHAF COc1ccc(CC[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 587443217 PKHDSMNXWQOJRK-ROUUACIJSA-N 338.403 3.761 0 1 EHAF COc1cc2c3c(c1)O[C@]([C@H](C)O)(C1(C)CCCCC1)[C@@H](C2)C3=O 587450458 MAJJYUHXWXCYII-LCMPSIMXSA-N 330.424 3.533 0 1 EHAF C[C@@H]1C[C@@H](C(=O)O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587530501 VSHGOGFKVAMXNL-VQZRKKFQSA-N 328.408 3.790 0 1 EHAF Cc1cc(C)cc(OCc2nc3cc(Br)ncc3[nH]2)c1 587565124 XEDPKZOJHXBEQT-UHFFFAOYSA-N 332.201 3.916 0 1 EHAF COc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(OC)c1O 587787124 ZXGCZFKZSAIHNY-UHFFFAOYSA-N 340.166 3.655 0 1 EHAF COc1ccc(C=O)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587787200 LJULDHHHOWDGQY-UHFFFAOYSA-N 336.269 3.950 0 1 EHAF CC(=O)CCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587809687 AWBUJQOJOMYPFS-NOZJJQNGSA-N 328.225 3.923 0 1 EHAF CC[C@@H]1C(=O)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587817040 HMSYBDAORGBQBJ-YRXQGLPXSA-N 340.236 3.707 0 1 EHAF CCOC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(OCC)cc1 653823882 XNJXEEMFEIOKBW-IKGGRYGDSA-N 344.432 3.922 0 1 EHAF CCOC(=O)CC[C@]1(c2cccs2)NCCc2ccc(F)c(C)c21 962300616 PULKFYMOZDFQMB-LJQANCHMSA-N 347.455 3.928 0 1 EHAF COC(=O)c1ccccc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963108816 YQMYYQSXHSPUJA-KXBFYZLASA-N 325.383 3.722 0 1 EHAF C[C@@]1(CSc2nncs2)NCCc2c(Cl)cc(Cl)cc21 963120497 IWOMVCRHJWBFBF-ZDUSSCGKSA-N 346.308 3.998 0 1 EHAF Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1 1772636891 ITNDOQQPJSLLLO-UHFFFAOYSA-N 333.395 3.628 0 1 EHAF CC[C@@H](O)C=CC=CCC=CCC=CC=C[C@@H](O)CCCC(=O)O 2356345153 KPRHYAOSTOHNQA-RTBURBONSA-N 334.456 3.934 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@]2(C)Cc3c(C)coc3C[C@]2(O)C1 2356448627 JUOMBKQDQFIYNU-IDENBPMYSA-N 332.440 3.732 0 1 EHAF Cc1cnc(C)c(Nc2nc([C@H](N)Cc3ccccc3)cs2)n1 61907205 NDIKVNRFBZSOOI-CQSZACIVSA-N 325.441 3.536 0 3 EHAF COc1ccc([C@H](C)Cn2ccnc2NC#N)cc1OC1CCCC1 13438969 ULDSURZNIBZDIV-CQSZACIVSA-N 340.427 3.910 0 1 EHAF CCOC(=O)CCCNCCOc1ccc(Cc2ccccc2)cc1 13475282 BDEOSUHAXJRXAE-UHFFFAOYSA-N 341.451 3.589 0 1 EHAF C[C@@H](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)c1ccc2c(c1)OCO2 14646498 CQXBMXDDWLNDQB-STQMWFEESA-N 340.375 3.842 0 1 EHAF biogenic,in-vitro O=C(O)CCCc1ccc(NC(=O)/C=C/c2ccccc2F)cc1 26574620 SBKDUTYNCUUOBM-JLHYYAGUSA-N 327.355 3.885 0 1 EHAF CC[C@H](c1ccc(Cl)c(Cl)c1)n1c(C(N)=O)c[nH]c1=S 28341425 PPSICIUTFJTVRN-SNVBAGLBSA-N 330.240 3.951 0 1 EHAF CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(N(C)C)cc1 28949320 MKNJPJLDLHUHEY-UHFFFAOYSA-N 345.493 3.852 0 1 EHAF Cc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1 29233086 GDUOPAZSSTZOHL-UHFFFAOYSA-N 347.296 3.503 0 1 EHAF Cc1ccc(-c2cc(Cc3nnc(N)s3)n(-c3ccccc3)n2)cc1 29325710 RFIVZLHIPYFQCR-UHFFFAOYSA-N 347.447 3.872 0 1 EHAF O=c1c2ccccc2sn1CCCCN1CC2CCC(CC2)C1 29402990 JBQSUAVPJNGTKF-UHFFFAOYSA-N 330.497 3.965 0 1 EHAF C[C@@H](COc1ccccc1Sc1cccc(F)c1)N(C)CC(=O)O 36143392 ZMBPRZHPDSXQIE-ZDUSSCGKSA-N 349.427 3.761 0 1 EHAF Cc1ccccc1-n1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)nn1 40860992 JMIBSVABGHKOBI-UHFFFAOYSA-N 340.427 3.600 0 1 EHAF CN(C(=O)Cc1ccccc1-c1cccc(Cl)c1)C1CCNCC1 49046249 UPEZSWRDIKOCFA-UHFFFAOYSA-N 342.870 3.760 0 1 EHAF Cc1noc(C)c1CC(=O)NCc1cccc(C(F)(F)F)c1Cl 58608567 CYMVQALRYAWECP-UHFFFAOYSA-N 346.736 3.823 0 1 EHAF COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccc2)c1 71332814 RAXPLTCGWAHZCE-UHFFFAOYSA-N 336.366 3.826 0 1 EHAF O=C1O[C@H](c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2 169347314 AOCRQCFKVGZSSD-SFHVURJKSA-N 342.826 3.726 0 1 EHAF Cc1cc(C)cc([C@@H](CCN2CCN(c3ccccn3)CC2)N=O)c1 169719711 AQJATUGTTYSWNU-LJQANCHMSA-N 338.455 3.718 0 1 EHAF O=C(NC(=O)c1cc(Cl)ccc1O)c1ccc(C(F)(F)F)cc1 473086870 DAEIBUYRXVKPBJ-UHFFFAOYSA-N 343.688 3.635 0 1 EHAF CCc1cc(O)nc(SCc2nc3cc(Cl)cc(F)c3[nH]2)n1 586966178 AIKZLHKHEPPUAG-UHFFFAOYSA-N 338.795 3.706 0 1 EHAF COC(=O)c1ccnc2nc(-c3ccc(-c4nccs4)cc3)[nH]c12 587022974 AXXUOPWHAKHSEF-UHFFFAOYSA-N 336.376 3.535 0 1 EHAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587048799 ANSYYBZFAHUVEV-UHFFFAOYSA-N 329.743 3.570 0 1 EHAF COC(=O)C1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC1 587096794 HIAOTGLFSUXRSH-UHFFFAOYSA-N 343.382 3.959 0 1 EHAF CN[C@H](c1cccnc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587223551 OAUDYLSSVLEKQS-CYBMUJFWSA-N 340.736 3.939 0 1 EHAF CCn1cc(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)c(C)n1 587638344 XCKWNCHXMPOBQB-UHFFFAOYSA-N 347.321 3.560 0 1 EHAF C[C@@H]1C(=O)CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587816592 AQWCISGGFNJHQL-XIZWVBILSA-N 340.236 3.707 0 1 EHAF Cc1ccc2c(ccc3nc(Cc4ccc(CC(=O)O)cc4)[nH]c32)n1 587961510 KZDQVGAYKVHOPT-UHFFFAOYSA-N 331.375 3.637 0 1 EHAF CC(C)c1nn(C)c2c1[C@@H](c1c(Cl)cc(O)cc1Cl)NCC2 962922029 VHULLCBRZZQATM-MRXNPFEDSA-N 340.254 3.791 0 1 EHAF CCCC[C@@]1(c2ccnc(Cl)c2)NCCc2nc3ccccn3c21 962983634 LQAWXPFULZXAAA-IBGZPJMESA-N 340.858 3.962 0 1 EHAF N[C@@H]1CC2(CC2)CC[C@]12c1ccsc1CCN2Cc1cccnc1 962998684 PDEAFPLYHCTSHU-QUCCMNQESA-N 339.508 3.688 0 1 EHAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CNC(=O)O1 1857630432 RTXPOYOFDCXVAL-NLPMXTIOSA-N 327.424 3.727 0 1 EHAF COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(Cl)cc2)cc1 57011009 RETFPVAKHLMRAT-QZTJIDSGSA-N 342.826 3.858 0 3 EHAF C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)c1ccccc1 563152 GXHQBGRFACUORD-NSHDSACASA-N 334.404 3.870 0 1 EHAF Cc1ccc(-n2ccnc2)cc1[C@@H](O)c1c(C)cc(C(=O)O)cc1C 5116283 QSAHHFJAWATNBG-LJQANCHMSA-N 336.391 3.577 0 1 EHAF COC(=O)c1ccccc1OCc1cc(Cl)cc2c1OCOC2 7096646 HHEURHQXLBEMRL-UHFFFAOYSA-N 334.755 3.572 0 1 EHAF biogenic O=C(O)C[C@@H]1C[C@H]1c1ccc(OCCCNc2ccccn2)cc1 28648080 JNJNTZUNBGRNAA-RDJZCZTQSA-N 326.396 3.541 0 1 EHAF COc1cccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)c1 40834911 XEVZVBKTRGFDAO-UHFFFAOYSA-N 326.331 3.817 0 1 EHAF CCOC1(OCC)[C@@H]2c3c(O)cccc3[C@H]([n+]3ccccc32)C1(C)C 100715006 NFUOQTJOVHTHFE-OALUTQOASA-O 340.443 3.524 0 1 EHAF O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(C(F)(F)F)cc1 114390449 WGDKRTIXDVSZQU-DNTJNYDQSA-N 342.704 3.828 0 1 EHAF Cc1ccccc1C(=O)NCCCCCC(=O)Nc1ccccc1N 117581284 CLNVYISTYOYKLO-UHFFFAOYSA-N 339.439 3.506 0 1 EHAF CC(C)c1cc(Cn2ccc3cc(OCC(=O)O)ccc32)ccc1O 299858691 SNZGNNLMAUYAPS-UHFFFAOYSA-N 339.391 3.982 0 1 EHAF CC1(C)Cc2c(-c3cc4ccccc4s3)n[nH]c2[C@H](C(N)=O)C1 299871246 YECULBXNBHOEFP-GFCCVEGCSA-N 325.437 3.833 0 1 EHAF Cc1nc(C)c(Cc2nc3ccc(Br)c(O)c3[nH]2)s1 587012129 ONXYRUSONKGMQG-UHFFFAOYSA-N 338.230 3.695 0 1 EHAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(CCO)cc3[nH]2)s1 587014630 NYZRKUYDEQNXPG-NSHDSACASA-N 331.441 3.627 0 1 EHAF Cc1nc(-c2c[nH]cc2-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cs1 587022268 WPPVFBYDQFXBBJ-UHFFFAOYSA-N 342.355 3.827 0 1 EHAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=N)N)cc2[nH]1 587070269 ROIZPSXWKVGAJT-JTQLQIEISA-N 340.814 3.877 0 1 EHAF Fc1cncc(Cl)c1Cc1nc2cc(C(F)(F)F)ncc2[nH]1 587176627 XWYLXPIADJCPQM-UHFFFAOYSA-N 330.672 3.755 0 1 EHAF Nc1ccc(C(=O)CCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587251569 IXCQDGAKQCKAKF-UHFFFAOYSA-N 335.194 3.662 0 1 EHAF CCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)n1 587383648 UOGAPWXOOWEQJI-ZDUSSCGKSA-N 339.317 3.519 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H]1CCCCN1)O2 587399251 HTGVSGNGTOAHGZ-PZJWPPBQSA-N 336.435 3.580 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc3ccccc3c21 587399945 KYTZWZMQGALAPS-NRFANRHFSA-N 344.370 3.543 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1csc(-c4ccco4)n1)[C@@H](C2)C3=O 587452586 RKEADLIBFRGBDG-GTNSWQLSSA-N 339.372 3.900 0 1 EHAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1COc3ccccc3C1)CC2=O 587491056 MVFMGCYLZWUBNF-XOBRGWDASA-N 338.403 3.930 0 1 EHAF O=C(c1ccccn1)c1c(-c2ccco2)[nH]c2c(C(=O)O)cccc12 587639494 YBHSGKDDDALFFH-UHFFFAOYSA-N 332.315 3.752 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccncc2)N1 587779566 UFYHJTZUQREPPV-APPDUMDISA-N 349.247 3.975 0 1 EHAF COc1cncc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587781570 AJROPJNWJXZPMQ-UHFFFAOYSA-N 347.374 3.918 0 1 EHAF COC(=O)Cc1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 587783011 CDGUFXBKWWYSBE-UHFFFAOYSA-N 334.297 3.964 0 1 EHAF CCCNC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863335 YKWWRDFRACXFMQ-UHFFFAOYSA-N 327.306 3.545 0 1 EHAF COc1ccc2c(c1)C[C@H](c1nc3ccc([C@H](N)N=O)cc3[nH]1)CC2 587947016 QIEHJFAEJASDLF-FZKQIMNGSA-N 336.395 3.568 0 1 EHAF C[C@H](CCc1ccccc1)[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962919745 LCVNTVZKDHMABA-VMDGZTHMSA-N 327.399 3.735 0 1 EHAF C[C@@]1(c2cccc(C(=O)O)c2)c2c(F)cccc2C[C@@H]2CCCN21 963103521 LMRUKHXAYHPFHR-OXJNMPFZSA-N 325.383 3.808 0 1 EHAF COc1ccc(-c2c(CO)n(C)c3ccc(C(F)(F)F)cc23)cn1 1857590486 UWWAEFUVFAFPQW-UHFFFAOYSA-N 336.313 3.760 0 1 EHAF OC[C@@]1(Cc2ccc(F)cc2)CCCN(CCCC(F)(F)F)C1 11706878 RRCSZSGBLAYNSV-MRXNPFEDSA-N 333.369 3.785 0 3 EHAF CN(C)CCNC(=O)c1cccc2c(-c3ccc(F)c(F)c3)coc12 61906046 BIIQEHOKFOKYOX-UHFFFAOYSA-N 344.361 3.669 0 3 EHAF C[C@]12Cc3c(O)n[nH]c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O 2568177 SWPAIUOYLTYQKK-WEMKCKRPSA-N 344.499 3.824 0 1 EHAF biogenic CCCCCCc1ccc(Nc2cc(=O)[nH]c(=O)n2CCC)cc1 3653603 DIVNBRJKAUOFFQ-UHFFFAOYSA-N 329.444 3.813 0 1 EHAF CCCn1c(C)nc2c(N[C@H](C)CCCN(CC)CC)nc(C)nc21 7991877 WASLJKNGXOIRLR-CQSZACIVSA-N 346.523 3.776 0 1 EHAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)CO 7997354 CYKYBWRSLLXBOW-CPZQJQDXSA-N 334.500 3.568 0 1 EHAF CCC(=O)Nc1cccc(S[C@@H](CC(=O)O)c2cccnc2)c1 13589290 VUBLBSWDGISZTL-HNNXBMFYSA-N 330.409 3.738 0 1 EHAF Fc1cccc(-c2cccc(CN3CCN(c4ncccn4)CC3)c2)c1 26171191 HSIMYBORWJJPOY-UHFFFAOYSA-N 348.425 3.605 0 1 EHAF CCCCN1CCC2(CC1)O[C@@H](OC)c1c2cnn1-c1ccccc1 29055969 VJKLIZVDVSRNBX-LJQANCHMSA-N 341.455 3.639 0 1 EHAF CN1C(=O)c2ccccc2Oc2ccc(NC(=O)c3ccco3)cc21 33170909 QWNMWUNUQVGRGZ-UHFFFAOYSA-N 334.331 3.914 0 1 EHAF CC(=N)NC[C@H]1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21 38248610 PXCOASFULUFKCU-MRXNPFEDSA-N 342.464 3.526 0 1 EHAF Cc1ccc(Oc2ccc(C[C@H]3SC(=O)NC3=O)cc2)cc1C 45366225 LMAGHLXSMNSOIY-MRXNPFEDSA-N 327.405 3.990 0 1 EHAF C[C@H]1CNCC[C@H]1CNC(=O)c1ccccc1-c1cccc(Cl)c1 49047558 COFVSAVKXZLUQG-HOCLYGCPSA-N 342.870 3.982 0 1 EHAF CC(C)N1CCC[C@@H]1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1 49072847 PDFSCOZKVDOMRV-GOSISDBHSA-N 348.450 3.874 0 1 EHAF CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccco2)c2c[nH]nc2N1 64446627 IOPCCXFRUVDLQU-INIZCTEOSA-N 338.342 3.612 0 1 EHAF C[C@@H]1Nc2ccc(N3CCCCC3)cc2C(=O)N1c1ccc(O)cc1 72111346 RBUDXVKWNZFZBY-CQSZACIVSA-N 337.423 3.801 0 1 EHAF O=C(O)c1ccc(NC(=O)c2cc3c4c(c2)CCCC4CCC3)nc1 96907590 DFSQKSRIXKJHFP-UHFFFAOYSA-N 336.391 3.788 0 1 EHAF COc1cccc(-c2cccc(-c3cn4cccc(C(N)=O)c4n3)c2)c1 96916098 RMCZZWQDJCMTQG-UHFFFAOYSA-N 343.386 3.776 0 1 EHAF Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1cccc(Cl)c1 103190069 MUSGGKQKXSTCMJ-UHFFFAOYSA-N 348.708 3.697 0 1 EHAF Cc1cc(N)c2cc(NC(=O)Cc3ccccc3Cl)ccc2n1 103236333 KUWITRRRTWJWEH-UHFFFAOYSA-N 325.799 3.960 0 1 EHAF CC(=O)N[C@@H](C)CCc1ccc(Oc2cnc(OC(C)C)cn2)cc1 116486783 NYLHQAKFCHHBGX-AWEZNQCLSA-N 343.427 3.513 0 1 EHAF O=C(Nc1ccnc(Cl)c1)c1cc(Oc2cccnc2)ccn1 167362999 SLBKSQLUSXMLIB-UHFFFAOYSA-N 326.743 3.570 0 1 EHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(C)cnc(Cl)c2[nH]1 586963381 MJEYUPVZLXJODI-SECBINFHSA-N 349.847 3.967 0 1 EHAF Oc1nc(S)nc2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc12 587053771 IJOZZKAKUWCFFW-SNAWJCMRSA-N 339.207 3.824 0 1 EHAF Cc1cc2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c(C)n1 587079168 HDRZOMCQOOODGG-CQSZACIVSA-N 339.830 3.952 0 1 EHAF Nc1ncnc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc12 587128894 SFUACWWQICUYRJ-UHFFFAOYSA-N 344.350 3.663 0 1 EHAF Fc1cc2[nH]c(-c3ccc(Cl)nc3F)nc2cc1-n1cccn1 587177231 DKVQXPNENUEAPL-UHFFFAOYSA-N 331.713 3.742 0 1 EHAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cnccc2[nH]1 587191641 WHYACRHLQSJMDC-INIZCTEOSA-N 338.411 3.914 0 1 EHAF N=c1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c2ccccc2[nH]1 587254778 ZEDUREIXUQYJDP-UHFFFAOYSA-N 330.178 3.892 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(Br)n1)O2 587371846 HBPWGUSGAJCSEO-MRXNPFEDSA-N 347.212 3.615 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CC[C@H]1N(Cc1ccccc1)C2 587400486 QCXHKDVRXXTSEE-SAWYMBPVSA-N 348.446 3.576 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)cc1Cl)[C@@H](C2)C3=O 587417979 GCAORZPIVGGWHO-IFXJQAMLSA-N 343.810 3.903 0 1 EHAF CCCn1nc(C2CC2)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587433553 ZBQLBIPIGKGZRH-VLIAUNLRSA-N 338.407 3.668 0 1 EHAF COc1cccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1OC 587873810 NSEWKMYPGLCXFM-UHFFFAOYSA-N 340.310 3.501 0 1 EHAF CN(C)S(=O)(=O)c1ccc2nc(CC3CCC(C)(C)CC3)[nH]c2c1 587961302 RUNAEFAQVKOPMG-UHFFFAOYSA-N 349.500 3.572 0 1 EHAF CN1C(=O)C[C@H]2CN[C@]3(C=C(c4ccccc4)CC3)c3cccc1c32 963036643 UOWFOOSGRBRTSV-HTAPYJJXSA-N 330.431 3.813 0 1 EHAF Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc(Cl)cc3)C1=N2 1857747849 DHAADFMSKONJNO-GOSISDBHSA-N 326.783 3.516 0 1 EHAF COc1ccc([C@](C)(O)c2nc(-n3cccc3)nc3ccccc23)cc1 1911573327 QGJZZBKKPIVLCA-NRFANRHFSA-N 345.402 3.685 0 1 EHAF CCCC[C@H](N)CCCCCC[C@@H](C=CC(=O)O)N=c1cc[cH-][nH]1 2356297210 QACAYNNIVKQBHR-IRXDYDNUSA-N 334.484 3.502 0 1 EHAF COc1cc(C=Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1 2356466039 PYSIIZCKWCWZPP-UHFFFAOYSA-N 330.380 3.900 0 1 EHAF CC[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C(=O)C[C@]4(C)[C@H]3CC[C@]12C 2356565381 AYTMEYVBLXAHPT-LJMRGRMFSA-N 332.484 3.774 0 1 EHAF COc1ccc(-c2csc([C@@H](O)c3cccc(OC)c3)n2)cc1 61929527 KOPWIBXISFFNPD-KRWDZBQOSA-N 327.405 3.909 0 3 EHAF c1ccc(CN2CC[C@H]3C[C@H]2c2c3cccc2N2CCOCC2)cc1 195433850 IXLJECFNTNRRME-RXVVDRJESA-N 334.463 3.958 0 3 EHAF O=C(N/C=C/c1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12 3872150 GHIXWSKNNGMWRO-MDZDMXLPSA-N 329.359 3.619 0 1 EHAF Cn1c(-c2ccccc2C=O)c(Br)c2ccccc2c1=O 28821997 XASTZXWELSBZGT-UHFFFAOYSA-N 342.192 3.781 0 1 EHAF CCn1c(=S)sc2c(NC(=O)Nc3ccccc3)ncnc21 45316000 NAOYMPKGKHZSIF-UHFFFAOYSA-N 331.426 3.886 0 1 EHAF c1cnc2c(c1)sc1c(Nc3ccc4c(c3)OCCO4)ncnc12 95577247 ANWBGUZQWHFICY-UHFFFAOYSA-N 336.376 3.754 0 1 EHAF Cc1ccc(C(=O)O)cc1-c1cnc(N)c(N[C@H](C)c2ccccc2)n1 96284814 REHTYBODXHEKHH-CYBMUJFWSA-N 348.406 3.906 0 1 EHAF O=C1C[C@@H]2CCOc3ccc(Cl)cc3C2=NN1c1ccccc1 103223634 RGBYGVGGUAACNL-LBPRGKRZSA-N 326.783 3.880 0 1 EHAF O=C1[C@@H]([C@@H](O)c2ccc(Cl)cc2)CCCN1Cc1ccccc1 103284603 FQDRWCVUUHHLKS-MSOLQXFVSA-N 329.827 3.812 0 1 EHAF CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)cc1 142782028 PZUHMVXZBLEHFM-OLZOCXBDSA-N 339.317 3.804 0 1 EHAF in-vitro COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2CCCO[C@@H]21 169358606 KAIRBWGUKDEUFM-WRQPIWNCSA-N 346.398 3.515 0 1 EHAF COc1ccc2[nH]c3c(c2c1)C[C@@H]1c2cc4c(cc2CCN1C3)OCO4 209376297 HOTTYHVEFWTDND-LJQANCHMSA-N 348.402 3.561 0 1 EHAF O=C(O)CCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990470 KMVNQONNIBVBGH-UHFFFAOYSA-N 333.343 3.559 0 1 EHAF Clc1ccccc1NCc1nc2cncc(Br)c2[nH]1 587060446 MDZWEHXGEIKMBU-UHFFFAOYSA-N 337.608 3.986 0 1 EHAF NC(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587074522 WRJAHJUAXIKTDM-UHFFFAOYSA-N 325.799 3.785 0 1 EHAF Oc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587082519 RHQHISRGIBUMJM-UHFFFAOYSA-N 340.770 3.822 0 1 EHAF Cc1ccc(Cc2nc3nc(Cl)c[nH]c-3n2)cc1C(F)(F)F 587095046 OAZFXOMNHZDORM-UHFFFAOYSA-N 326.709 3.876 0 1 EHAF Fc1cc2nc(-c3cc(Br)cnc3F)[nH]c2c(F)c1F 587177928 HLUCKTKGJAVOSG-UHFFFAOYSA-N 346.081 3.944 0 1 EHAF O=C1c2ccccc2C(=O)N1CCCc1cc2c3c(cccc3n1)CC2 587213572 XNHZKJWJIHRPQF-UHFFFAOYSA-N 342.398 3.562 0 1 EHAF COC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 587372617 ABFFCUGCJDLUPY-MRXNPFEDSA-N 345.782 3.724 0 1 EHAF CC/C=C/CCOC(=O)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 587482521 PAIMKDBBQFYJOQ-ROUKRRSUSA-N 346.423 3.968 0 1 EHAF C[C@@H]1C[C@H](C(=O)O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587530503 VSHGOGFKVAMXNL-WVSMJXTDSA-N 328.408 3.790 0 1 EHAF COC(C)(C)C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590800 AUCVQVDNNXRQCT-HOTGVXAUSA-N 328.364 3.538 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnsc1 587617556 KGDWVNHIMUOHHS-PBHICJAKSA-N 325.345 3.552 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ncccc32)N1 587777962 KGSBPLVWMVRWIQ-BTDLBPIBSA-N 347.231 3.707 0 1 EHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)cs1 587869796 RXEZZMCKLWCXFZ-UHFFFAOYSA-N 340.330 3.727 0 1 EHAF Fc1ccc(F)c(-c2csc(-c3ccnc(-n4cncn4)c3)n2)c1 587922101 GYUYSDVNEXPULI-UHFFFAOYSA-N 341.346 3.731 0 1 EHAF Cc1ncc(C)n2nc(-c3ccc4[nH]c(-c5ccco5)nc4c3)nc12 1857631635 NINUDVMDTLNUPV-UHFFFAOYSA-N 330.351 3.544 0 1 EHAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@](C)(O)CCC[C@]12C 2356593078 WNPXLRJLRYVJFB-FLNBYBTLSA-N 336.472 3.765 0 1 EHAF Cc1coc2c1[C@H](OC(=O)CC(C)C)[C@@]1(C)[C@H](C(=O)CC[C@H]1C)[C@H]2O 2356615262 BNWIGXGAONVBGL-ZDHFLTGISA-N 348.439 3.887 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)C[C@@H]3CO[C@H](O)[C@@H]3[C@@]2(C)C1(C)C 2356666921 POPAGGXDYJJYSP-OMYYQHHGSA-N 336.472 3.682 0 1 EHAF O=C(NCc1ccccc1)[C@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 61908581 SJFDYFUSBDUIOG-LJQANCHMSA-N 348.377 3.508 0 3 EHAF COc1ccc(CN2C(=O)[C@@H](n3cccc3)c3cc(F)ccc32)cc1 206026759 DQCKBEGXDXRZON-IBGZPJMESA-N 336.366 3.772 0 3 EHAF O=C(O)C[C@@]1(O)CCC[C@@H](/C=C/[C@H](O)CCCCc2ccccc2)C1 1539670 HGDRLKMEWSBKRS-JOZQYUCVSA-N 346.467 3.713 0 1 EHAF COc1cc(O)c2c(c1[C@@H]1CCCN1)O[C@H](c1ccc(O)cc1)CC2 5998933 LEVIHKALYBTAAA-RDJZCZTQSA-N 341.407 3.597 0 1 EHAF biogenic O[C@@H](C[C@@H]1CCC[C@@H](C[C@@H](O)c2ccccc2)N1)c1ccccc1 17379890 UMXDEQATKLAHCQ-XSDIEEQYSA-N 325.452 3.745 0 1 EHAF biogenic C[C@H]1CC[C@H](C)N1CCN[C@@H]1c2ccccc2OCc2ncccc21 27869957 QHSLZSOMQYGRSK-QYWGDWMGSA-N 337.467 3.526 0 1 EHAF Cc1nc2nc(-c3ccc(Cl)cc3)nn2c2c1CCN2C(C)(C)C 28007236 LKRFBCCJJVHIHG-UHFFFAOYSA-N 341.846 3.914 0 1 EHAF O=C(O)CC1=C(c2ccc(Cl)cc2)N=C(S)N[C@H]1c1ccco1 29464380 FKIHMOWQJCWDJU-OAHLLOKOSA-N 348.811 3.749 0 1 EHAF CC[C@@H]1CC(=O)C[C@@]23CCN(CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 29476354 RUNRCUXZMMKEMO-OUWXYEHJSA-N 339.479 3.676 0 1 EHAF O=C(CCN1CCOCC1)c1ccc(Oc2ccc(F)cc2)cc1 31872024 DIMNCPPWFZSFSL-UHFFFAOYSA-N 329.371 3.523 0 1 EHAF Cc1ccc(Oc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)c(C)c1 45357117 ZLIRARCVHMGDHN-INIZCTEOSA-N 327.405 3.990 0 1 EHAF O=C(C1CCC1)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)no1 71342099 JDYKHTCWXLKMDP-HNNXBMFYSA-N 329.375 3.729 0 1 EHAF COc1cc(F)cc2c1nnc1c(C)nc(-c3sccc3C)n12 84729662 YWQRGPGREXLLMW-UHFFFAOYSA-N 328.372 3.771 0 1 EHAF c1ccc(-n2cc(CSc3nnc(C4CCCC4)o3)nn2)cc1 95872091 RDPWHIVCCDSHGF-UHFFFAOYSA-N 327.413 3.600 0 1 EHAF COc1cc([C@@H](Nc2ccccc2)P(=O)(OC)OC)ccc1O 103300028 VHLRRXZEMYODGS-INIZCTEOSA-N 337.312 3.997 0 1 EHAF COc1cc(F)c(-c2csc(NC(=O)c3ccncc3)n2)c(F)c1 169343835 WOHMSRUPNMRNIZ-UHFFFAOYSA-N 347.346 3.744 0 1 EHAF O=C1O[C@@H](c2ccccc2Cl)CN1c1ccc2c(c1)CNCC2 169347330 QXOOGSGQUJQVAZ-QGZVFWFLSA-N 328.799 3.684 0 1 EHAF COc1ccc2c(c1)[C@@]13CCN(CC4CCC4)[C@H](C2)[C@H]1CCC(=O)C3 169369303 NNUUOAQJUHMLDS-CEMLEFRQSA-N 339.479 3.733 0 1 EHAF COc1cc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2C)ccc1O 238769959 YMJZBBKFFDVLLB-BUXKBTBVSA-N 344.407 3.572 0 1 EHAF C[C@H]1Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2C1(C)C 238774824 JQTDISRMTYKTTQ-SNVBAGLBSA-N 338.359 3.930 0 1 EHAF O=C1c2ccccc2-c2cc(-c3ccncn3)nc3ccc(O)c1c23 586988224 NKNVXHKXAMAUCM-UHFFFAOYSA-N 325.327 3.609 0 1 EHAF Cc1ccc2c3c(cc(-c4cc(CO)on4)nc13)-c1ccccc1C2=O 587096195 HREJTLQSTMGZAT-UHFFFAOYSA-N 342.354 3.902 0 1 EHAF COc1c(F)ccc(F)c1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587132988 NHMHHPMDEQAPGL-UHFFFAOYSA-N 344.296 3.842 0 1 EHAF CC[C@@H](Oc1ccccc1F)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587156527 UPOCSNHAHLDOTQ-ZBFHGGJFSA-N 328.347 3.956 0 1 EHAF COc1cc2c3c(c1)O[C@H](CCc1ccc(OC)c(F)c1)[C@@H](C2)C3=O 587426445 NVNMHKPMBJQFMU-GDBMZVCRSA-N 342.366 3.592 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](CCc1cncc(F)c1)CC2=O 587471710 MMHXJEXADRZTPH-CQSZACIVSA-N 329.371 3.845 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC)n1)CC2=O 587489942 XIGRHAKQKZCWLO-IBGZPJMESA-N 327.380 3.629 0 1 EHAF CCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657150 XCWWEZHBQGQPEH-UHFFFAOYSA-N 328.318 3.782 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CCCOC2)N1 587833447 GJXROGAGTYGAOP-RFAUZJTJSA-N 326.209 3.510 0 1 EHAF O=C(NCCCCCCc1ccccc1)n1c(=O)oc2ccccc21 653790227 XEHJYFJFVHWVMW-UHFFFAOYSA-N 338.407 3.955 0 1 EHAF O=C(Cn1cnc2scc(-c3ccco3)c2c1=O)c1cccs1 958026453 DIWVAKPYRQZXOP-UHFFFAOYSA-N 342.401 3.662 0 1 EHAF CC1(C)[C@H](OCc2ccccc2)C[C@@]12NCCc1nc3ccccn3c12 962983658 LWGJQUHVLDOJSD-GCJKJVERSA-N 347.462 3.691 0 1 EHAF Cc1cc(C(=O)O)c2c(C3CC3)nn(-c3ccc(Cl)cc3)c2n1 1857535256 ZWWCWWLSKRZBSZ-UHFFFAOYSA-N 327.771 3.958 0 1 EHAF CCCCCn1c(C(=O)N[C@H](C(=O)OC)C(C)C)cc2ccccc21 1857577406 FTECAZGVBHXMMG-SFHVURJKSA-N 344.455 3.759 0 1 EHAF CCCNC(=O)c1csc([C@H](O)c2ccc(C(C)(C)C)cc2)n1 1857607263 IJGSJMUPMVEKSY-OAHLLOKOSA-N 332.469 3.662 0 1 EHAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccccc1 775619 UILMIPTUMLFLRY-UKRRQHHQSA-N 344.455 3.776 0 1 EHAF CN1CC[C@@H]2[C@H](CCC[C@H]2NC(=O)c2ccc(Cl)c(Cl)c2)C1 1841678 QEHYKCMIGAKKMG-XJKCOSOUSA-N 341.282 3.844 0 1 EHAF CCNc1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl 13584775 WHUAURDGIJJOJZ-UHFFFAOYSA-N 346.818 3.574 0 1 EHAF COC(=O)c1cccc([C@@H]2[C@@H](C)N=CN2Nc2cccc(Cl)c2)c1 29327282 OHGGTSHOCBRKHO-PXAZEXFGSA-N 343.814 3.927 0 1 EHAF O=c1c2cc(Cl)c(Cl)cc2sn1CCN1CCCCC1 29401134 KKUXWVVASWTXMP-UHFFFAOYSA-N 331.268 3.856 0 1 EHAF O=C(c1ccc(-c2ccccc2)nc1)N(CC1CC1)C[C@@H]1CCCO1 40829475 FNSBTYOEDDWBCG-IBGZPJMESA-N 336.435 3.780 0 1 EHAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)O)cc1 95588603 SDMRJNBPRQDSQT-QPABKMLOSA-N 340.375 3.981 0 1 EHAF Fc1cc(F)c(F)c(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1F 95589899 QLILSXLCYHMHMR-BDJLRTHQSA-N 325.305 3.973 0 1 EHAF COc1c2occc2c(/C=C/C(=O)OC(C)(C)C)c2ccc(=O)oc12 95596285 CNXUNLAQXPQEGW-VMPITWQZSA-N 342.347 3.903 0 1 EHAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cccc(-c3cccn3C)c1)O2 101501405 HYHKAAKSUZBYDJ-NBMJBFSESA-N 325.408 3.516 0 1 EHAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CCC4=C(COC4=O)[C@]3(C)CC[C@@H]12 141470934 ZENRAMDHYOLFQK-MNRMEVMPSA-N 332.440 3.947 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)NCC[C@]4(C)[C@@H]3CC[C@]12C 253695508 NRBYKRJQRQZVLV-CLIDLRMUSA-N 347.499 3.687 0 1 EHAF COc1ccc(C=O)c2cc(-c3nc4c(Cl)cncc4[nH]3)oc12 586904171 RFZXBXAEKBWDOG-UHFFFAOYSA-N 327.727 3.846 0 1 EHAF Cc1oc2c(c1-c1nc3c(Br)ccnc3[nH]1)C(=O)CCC2 586904654 XQQUHNMXCIMJAR-UHFFFAOYSA-N 346.184 3.808 0 1 EHAF CCCCS(=O)(=O)N[C@H](c1nc2cccc(Cl)c2[nH]1)C(C)C 586933643 USMLWMXJBYFWML-ZDUSSCGKSA-N 343.880 3.633 0 1 EHAF COC(=O)/C=C(\C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991973 LSMGSSPJYNXTOV-PKNBQFBNSA-N 345.354 3.728 0 1 EHAF COc1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587043039 XJWCZTZOBICOAO-GOEBONIOSA-N 325.437 3.518 0 1 EHAF Nc1ccc(F)c(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587140542 BZXUZVJSYFOKPJ-UHFFFAOYSA-N 325.265 3.774 0 1 EHAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccnc2[nH]1 587190793 OANLLDXPESVOEX-OAHLLOKOSA-N 338.411 3.914 0 1 EHAF COc1cc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2cc1C 587247917 XTLWHVXIIGDBGO-UHFFFAOYSA-N 338.411 3.927 0 1 EHAF Oc1nc(O)c2cc3c(nc2n1)[C@H](c1ccc(Cl)c(Cl)c1)CC3 587368606 NHIZLMIMMNYHBN-VIFPVBQESA-N 348.189 3.821 0 1 EHAF CC(C)c1cc2c(O)nc(O)nc2nc1Cc1cccc(Cl)c1 587369268 XSNCYQLPYNWRFR-UHFFFAOYSA-N 329.787 3.804 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc(F)cc1)O2 587384527 LRSUJXCJITWXLK-IBDYFIJFSA-N 340.398 3.652 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccc4)n1C)[C@@H](C2)C3=O 587429982 FEGIJBGPNAYDTI-MGPUTAFESA-N 346.386 3.584 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccnc(-c4ccccc4)n1)[C@@H](C2)C3=O 587436091 LOUQSKVHBSTVQG-YWZLYKJASA-N 344.370 3.641 0 1 EHAF CCCCCCc1cc2c(O)nc(O)nc2nc1-c1ccc(O)cc1 587561382 QBYSRKRDJJJANP-UHFFFAOYSA-N 339.395 3.931 0 1 EHAF CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 587588425 KOSFEQQLHNPBSK-YLJYHZDGSA-N 335.359 3.986 0 1 EHAF Cc1ccncc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588664 UJLYSIXDWWVLBB-WIYYLYMNSA-N 347.370 3.973 0 1 EHAF CCCOc1cccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587778824 QKWICHNRAGKQRT-UHFFFAOYSA-N 336.317 3.703 0 1 EHAF CC(=O)[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813185 MXDNUDSEXPNBDP-KOSWAMCASA-N 328.225 3.563 0 1 EHAF Cc1csc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587855430 VPBBTMQFLPYACZ-UHLUBPPHSA-N 341.249 3.977 0 1 EHAF CC(=O)Nc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873033 AXFLSNBZSSZRAT-UHFFFAOYSA-N 337.310 3.442 0 1 EHAF Cc1c(F)ccc2c1[C@@]1(CCCCc3cc(C(=O)O)ccc31)NCC2 962299488 OAKHGYYLOFEGCQ-NRFANRHFSA-N 339.410 3.948 0 1 EHAF CSc1nc2cc(C(=O)Nc3ccccn3)c(Cl)cc2n1C 1857755590 HRIYWMFPIBCDAI-UHFFFAOYSA-N 332.816 3.596 0 1 EHAF COc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)ccc1C(C)(C)C 1857769146 IPLLBIUCVFYXHE-UHFFFAOYSA-N 341.407 3.872 0 1 EHAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)O 2356301188 XHBMTXUISAJSCL-RCCFBDPRSA-N 329.440 3.746 0 1 EHAF COc1cccc([C@H](O)c2nc(-c3ccccc3OC)cs2)c1 61926723 SAUPUKWIGROFOW-KRWDZBQOSA-N 327.405 3.909 0 3 EHAF CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 772944 SAZDOYSOSRVVEC-WBVHZDCISA-N 346.789 3.659 0 1 EHAF Cc1c(-c2coc(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C 1632331 MCRZLKNJYLNDPX-UHFFFAOYSA-N 331.375 3.806 0 1 EHAF CN(CCc1ccccc1)C(=O)c1ccc(C(=O)C(F)(F)F)cc1 28880553 XCUQEOVLOMMEBA-UHFFFAOYSA-N 335.325 3.746 0 1 EHAF N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc2c1 43073993 SMAZBHFMJBNRRQ-UHFFFAOYSA-N 329.403 3.865 0 1 EHAF CN1CCCC[C@]12Cc1ccccc1CN(C(=O)C1CCCC1)C2 71988535 NDEHURXEHOBFJW-OAQYLSRUSA-N 326.484 3.616 0 1 EHAF O=C(Nc1cc2ccc(-c3cc(CO)ccc3F)cc2cn1)C1CC1 144304595 PAUYVUICCGGMJK-UHFFFAOYSA-N 336.366 3.882 0 1 EHAF CCCc1cc(OCCCN2CCCC2)nc(-c2ccccc2)n1 299819337 BDIKTRWSZGAMKZ-UHFFFAOYSA-N 325.456 3.961 0 1 EHAF CC(C)[C@H](O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1 299863036 KKSZLFGYVSHPIV-NRFANRHFSA-N 335.403 3.900 0 1 EHAF O[C@H](c1ccc(Br)cc1)c1nc2ccc(F)c(F)c2[nH]1 586996274 CUPPEWQMYAUAGJ-CYBMUJFWSA-N 339.139 3.685 0 1 EHAF O[C@@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccccc1Cl 587059588 SLYRTCPYPUKCKU-CYBMUJFWSA-N 338.697 3.620 0 1 EHAF FC(F)(F)COc1cc(-c2nc3c(Cl)ccnc3[nH]2)ccn1 587091359 JHEZHNPIMSMHIU-UHFFFAOYSA-N 328.681 3.614 0 1 EHAF COc1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587114249 RMJKWWIYHFVFHT-ZDUSSCGKSA-N 335.329 3.833 0 1 EHAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(F)c(F)cc2[nH]1 587174913 NWXPFBFYYDAASE-ZDUSSCGKSA-N 330.313 3.704 0 1 EHAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccnc(Cl)c2[nH]1 587232953 GJKQVOAPBBAJON-UWVGGRQHSA-N 336.823 3.772 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccc(C)cc3nc1O)O2 587393885 BEUOJWJEWHATLX-GOSISDBHSA-N 334.375 3.846 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc3ccccc3c21 587399952 KYTZWZMQGALAPS-OAQYLSRUSA-N 344.370 3.543 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1cccs1)O2 587414746 VKDFNNKXBZQQKR-OAHLLOKOSA-N 339.420 3.746 0 1 EHAF O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587616689 LZRWYEWOGMHFDS-APWZRJJASA-N 336.299 3.501 0 1 EHAF O=C(O)CCC(=O)Nc1c(-c2ccccc2F)[nH]c2cccc(F)c12 587635022 YATHJHNOSVSIQW-UHFFFAOYSA-N 344.317 3.916 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H]2CCCO2)N1 587833076 LUQCZEQMPLKEKQ-XAGWURHQSA-N 342.252 3.907 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccncc1 587861847 CZQNADXXXFEZJS-UHFFFAOYSA-N 347.296 3.661 0 1 EHAF O=S(=O)(c1cc(C(F)(F)F)c(O)c2ncccc12)C1CCCC1 1857643922 MXZPWFQESQPBKT-UHFFFAOYSA-N 345.342 3.676 0 1 EHAF CCC=CCC=C[C@@H](O)[C@@H](O)C=CC=CCC=CCCCC(=O)O 2356576355 XJVATZRQYYFGGW-MOPGFXCFSA-N 334.456 3.934 0 1 EHAF CC=C(CO)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3C[C@H]2C1 2356709721 RMYNXUZHSPSIKZ-NOUYOMCBSA-N 332.440 3.589 0 1 EHAF CC[C@H](O)CCCCCC[C@@H]1C[C@H](O)[C@@H](Cc2ccccc2)N1C 2356788732 CJSSSEJSBABUJE-MHTWAQMVSA-N 333.516 3.774 0 1 EHAF CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(F)cc2)O1 95567436 AVPULNFWAOMEGJ-DOMZBBRYSA-N 334.416 3.792 0 3 EHAF C[C@@H]1CCC[C@H](NC(=O)CCCn2sc3ccccc3c2=O)[C@@H]1C 6800187 XVVPLYUIZYHCGQ-FMKPAKJESA-N 346.496 3.784 0 1 EHAF C[C@@H](C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1 13493472 YMVKVHVILBKUBG-QGZVFWFLSA-N 334.463 3.917 0 1 EHAF CC(C)Cc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O 14971014 ZYVQEHNABDHJGN-QGZVFWFLSA-N 328.364 3.708 0 1 EHAF COc1ccc(-c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1OC 28469243 MMMQSIVDDVLGGC-UHFFFAOYSA-N 346.770 3.826 0 1 EHAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]3CC[C@@]4(CCCO4)[C@@]3(C)CC[C@H]12 34801318 PJPLXNAOJADMRD-GSIXCFPSSA-N 329.484 3.833 0 1 EHAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)C1CCC1 35190751 XKQOAIYBRBYUDA-UHFFFAOYSA-N 331.847 3.949 0 1 EHAF C[S@](=O)c1ccc(/C=C2/C=C(CC(=O)O)c3cc(F)ccc32)cc1 38190853 ZJANWFSEWMXADV-MSMHZAPESA-N 342.391 3.975 0 1 EHAF Cc1cc(O)n2nc(SCc3ccc(Cl)c(Cl)c3)nc2n1 95576471 XZVRFRHBOYSJSM-UHFFFAOYSA-N 341.223 3.737 0 1 EHAF O=c1[nH][nH]c(-c2ccc(F)cc2)c1Cc1c(O)ccc2ccccc12 169311762 YAVZMYGWANUARM-UHFFFAOYSA-N 334.350 3.959 0 1 EHAF COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2C=CC[C@H]21 254011961 KKBJCVBSAUGNEH-KCMGUUNKSA-N 328.383 3.912 0 1 EHAF O=C1O[C@H](c2cncnc2)CC(O)=C1Sc1ccccc1Cl 299835653 MGOUWIKKWTXIOK-LBPRGKRZSA-N 334.784 3.680 0 1 EHAF COc1cc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1OC 586887732 IZDQPAUQIAGAOD-KPZWWZAWSA-N 326.396 3.726 0 1 EHAF Cc1nc(-c2c[nH]cc2-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cs1 587021135 JWZSCRVLWXCUPY-UHFFFAOYSA-N 342.355 3.827 0 1 EHAF CC(C)[C@H](N)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339751 USBSOSHOBXTEGZ-HOJAQTOUSA-N 343.398 3.632 0 1 EHAF COC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 587372614 ABFFCUGCJDLUPY-INIZCTEOSA-N 345.782 3.724 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C1CCOCC1)O2 587415300 ZROQFXZWTZMYNR-OAQYLSRUSA-N 337.419 3.865 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1N(C)C)CC2=O 587469945 QPVKXLOEIYFIAZ-QGZVFWFLSA-N 326.396 3.512 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1CC1CC1)CC2=O 587482003 YPXBGQSMNDJDQW-SFHVURJKSA-N 326.396 3.658 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(O)cc(OC)c1)CC2=O 587482070 RGDMFOYEMWAEBC-SFHVURJKSA-N 328.364 3.765 0 1 EHAF Cc1cccc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587521244 BCWXLVWESSFBSU-NRFANRHFSA-N 333.387 3.687 0 1 EHAF CCOC(=O)[C@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587521590 DMDJJTHXEPIBQC-VBKZILBWSA-N 328.408 3.633 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1C1CCOCC1 587862747 HECGAYKAZRSMGY-UHFFFAOYSA-N 326.318 3.929 0 1 EHAF COc1cccc([C@@H](C)Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 587930540 JLWWVYJWSUJKKK-JTQLQIEISA-N 328.343 3.755 0 1 EHAF COC(=O)c1cccc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c12 587935287 RVNIMXHQXXLEMG-UHFFFAOYSA-N 348.402 3.930 0 1 EHAF CC/C=C(\NOCC)C1C(=O)CC(C[C@H](C)SCC)CC1=O 957848326 ZMUMVIYLLGLWQZ-KENGYJKBSA-N 327.490 3.518 0 1 EHAF CC(=O)Nc1ccsc1[C@@H]1c2c(F)cccc2C[C@H]2CCCN12 963110439 MXYLNRGKGUBRHF-DYVFJYSZSA-N 330.428 3.956 0 1 EHAF COc1ccc(-c2ccccc2NCCn2cnc(C)c2)cc1OC 1772604899 KMNSGRBJPKGKSP-UHFFFAOYSA-N 337.423 3.988 0 1 EHAF C[C@@H]1CC[C@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCC1=CCOC1=O 2356418203 ZKUWHVKICYZVFY-ACSHBGDTSA-N 330.424 3.566 0 1 EHAF CCC=CCC=CC[C@@H](O)C=CC=CC=C[C@H](O)CCCC(=O)O 2356480406 BISQPGCQOHLHQK-MOPGFXCFSA-N 334.456 3.934 0 1 EHAF COc1cccc(Nc2nc([C@@H](N)c3ccccc3Cl)cs2)n1 61928395 VIFRSAKSBZMSJF-HNNXBMFYSA-N 346.843 3.992 0 3 EHAF COc1cc(O)cc(C)c1C(=O)c1c(OC)cc(C)c(Cl)c1O 15264035 DNVMBLJNCOHJMC-UHFFFAOYSA-N 336.771 3.616 0 1 EHAF biogenic CCC[C@H](C)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 15953049 PIPZHJICVXXWCJ-NSHDSACASA-N 344.440 3.615 0 1 EHAF COc1cc2c(cc1OC)[C@H](C[C@@H](O)c1ccc(Cl)cc1)NCC2 28522773 PWAWBYGMUYUAIE-DLBZAZTESA-N 347.842 3.668 0 1 EHAF O=C1NC(=O)/C(=C\c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1 28703311 VNDIKDXABNTNOS-LHHJGKSTSA-N 349.173 3.966 0 1 EHAF CCOc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1 29048944 MYIGEQURFWGOFU-OALUTQOASA-N 347.842 3.847 0 1 EHAF in-vitro CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](/C=C\CCCC(=O)O)[C@H]2CO[C@@H]1C2 89455044 DLSJSZVOTKYJET-QNNYBNNASA-N 336.472 3.946 0 1 EHAF Cc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc(Cl)n1 117723450 IKAKBQLPSLKXAR-CQSZACIVSA-N 329.831 3.763 0 1 EHAF C[C@H]1CO[C@]2(C)Oc3cc4c(cc3C[C@H]12)C[C@@H]1[C@@H](C)CO[C@]1(C)O4 238773278 GKWTWWJVLKOABN-XZRFTHSASA-N 330.424 3.554 0 1 EHAF CC(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587041627 ODWFJEDDVZMZSH-QZTJIDSGSA-N 337.448 3.712 0 1 EHAF N[C@@H](N=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587107548 USGAKBJKAGSSMO-HNNXBMFYSA-N 334.301 3.896 0 1 EHAF CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587384702 ILHFHDDBELAXQB-IBGZPJMESA-N 329.371 3.996 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)s1)([C@H](C)O)O2 587410713 ONRGPOPPNVDVDW-XXFAHNHDSA-N 337.828 3.534 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCc4c(Cl)cccc41)[C@@H](C2)C3=O 587423482 UNNHLLSFFYRIJY-IFXJQAMLSA-N 326.779 3.938 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCSc4c(F)cccc41)[C@@H](C2)C3=O 587429052 SPIWXWPPQADZJC-ORAYPTAESA-N 342.391 3.973 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)cccc1OC)CC2=O 587481182 QAOBWVCSTJLCRB-QGZVFWFLSA-N 328.364 3.765 0 1 EHAF CC(=O)OC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587526013 UQXYFFSJGQRPPN-UHFFFAOYSA-N 328.408 3.775 0 1 EHAF COCCc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535981 QQDSFKMJQZPNRF-MRXNPFEDSA-N 343.448 3.917 0 1 EHAF CC(C)(C)c1[nH]c2cc(Cl)c(F)cc2c1-n1cc(C(=O)O)nn1 587632351 UYUZNQUJXADVGP-UHFFFAOYSA-N 336.754 3.537 0 1 EHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 587787997 YNYAPZKUMJZQDM-VXGBXAGGSA-N 328.318 3.785 0 1 EHAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 587792482 IECRWKCXGMHQPV-NXSYQRQQSA-N 325.181 3.508 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@H]2CCCOC2)N1 587834552 LHVSQQYINCIRSD-GYSYKLTISA-N 342.252 3.980 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CSC[C@@H]2C)N1 587859041 VDVSJTATIYSZDS-ATEUNZGCSA-N 330.266 3.701 0 1 EHAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CCc1ccncc1 587867878 DLTCKQGVANXRLX-UHFFFAOYSA-N 348.328 3.610 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1OC 587871004 WVGZIXQZZZHMHS-UHFFFAOYSA-N 340.354 3.785 0 1 EHAF CC(C)n1nc(-c2cc(C3CCCCC3)on2)c2c(N)ncnc21 653778453 QRRSZJDNULZKHW-UHFFFAOYSA-N 326.404 3.692 0 1 EHAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CCCC1 2356303305 QLJPUQZUNWMLSL-SNVBAGLBSA-N 334.803 3.721 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@@H]([C@@]32C)[C@]1(C)CC[C@H]1CCOC1=O 2356420434 AOIVVVYELQRCFE-DGYWYYSSSA-N 332.440 3.644 0 1 EHAF Cc1ccc(CSCc2ccc(C(=O)NC[C@H]3CCCO3)o2)cc1 263000 YBVBLIZZMPBBBN-MRXNPFEDSA-N 345.464 3.930 0 3 EHAF O=C(O)[C@H]1CS[C@@H](c2cccc(OCc3ccccc3Cl)c2)N1 2472440 AGTMYOZRLWANDT-CVEARBPZSA-N 349.839 3.707 0 1 EHAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]56CCC[C@H]5C=CC[C@](C4)([C@@]36C)[C@]21O 2356360405 FOIFJBGPWIMXPK-IFEJTSKWSA-N 342.479 3.987 0 1 EHAF O=CN1CCC(Sc2c[nH]c3ccc(Br)cc23)CC1 27889320 FSPLSDBEVOLIBS-UHFFFAOYSA-N 339.258 3.643 0 1 EHAF CCOc1ccc(-c2[nH]c(S(C)(=O)=O)nc2-c2ccccc2)cc1 28220581 ULGIJBAJSCXZKX-UHFFFAOYSA-N 342.420 3.546 0 1 EHAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(Cl)c(Cl)c1)N2C 29478990 AMIHUYQKNJHXPT-FDRIWYBQSA-N 328.239 3.733 0 1 EHAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cccc(SC)c1 2356587432 KPBXPNWCHWXDRD-DZKIICNBSA-N 349.569 3.815 0 1 EHAF CN(C)C[C@@H](O)[C@@H](c1ccccc1)c1cccc(Br)c1 39245473 HXGZIOIAGCFPNS-SJORKVTESA-N 334.257 3.504 0 1 EHAF O=C1c2cc(-c3ccc(Cl)cc3)nn2CCN1Cc1ccccc1 40422840 NEJFDEYAYBJOLC-UHFFFAOYSA-N 337.810 3.860 0 1 EHAF O=c1[nH]c2ncc(-c3ccc4cc[nH]c4c3)nc2n1CC1CCCCC1 82155290 CVVQIXYCZOMPBT-UHFFFAOYSA-N 347.422 3.848 0 1 EHAF Cc1ccncc1N1CCN(c2ccc3c(C4CC4)n[nH]c3c2)C1=O 148810044 YJKLLJFVYCAPKY-UHFFFAOYSA-N 333.395 3.590 0 1 EHAF CCO[C@@H](CC(=O)O)c1ccc(OCc2cccc(OC)c2)cc1 146705843 FVZWSJSCDHOWMM-SFHVURJKSA-N 330.380 3.827 0 1 EHAF O=C(c1ccn2ccnc2c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 96169308 QDZYPNKWWFRYLQ-MOPGFXCFSA-N 331.419 3.669 0 1 EHAF COCc1c(OC)cc(OC)c2c1O[C@@H](c1ccccc1)CC2=O 35465821 FIQXXBDHOGNFHK-OAHLLOKOSA-N 328.364 3.557 0 1 EHAF biogenic CCN(CC)C(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1 299853008 CZLHCURZECCJBJ-UHFFFAOYSA-N 334.423 3.780 0 1 EHAF O=c1c2cc(Cl)ccc2cnn1-c1nc2c(F)cc(F)cc2s1 587652512 TVXLNODCWQEZGW-UHFFFAOYSA-N 349.749 3.927 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cccc(C)n1)O2 587389026 DGTMYCACNDHKHB-SFHVURJKSA-N 333.391 3.778 0 1 EHAF Cc1noc([C@H]2CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)n1 587523757 HKWNJZBVOFXPGZ-UZLBHIALSA-N 338.407 3.929 0 1 EHAF CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2ccc(F)c(Cl)c12 587631963 NTWWPZYBMKOVTG-UHFFFAOYSA-N 335.766 3.846 0 1 EHAF Fc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)O2 587173291 BHLZGTSZXSBUMJ-AWEZNQCLSA-N 334.253 3.700 0 1 EHAF O=C1CC2(Oc3c1ccc1c3CCCC1)C1CC3CC2CC(C1)C3=O 587529522 OSPGUCCMQVDREC-UHFFFAOYSA-N 336.431 3.905 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COC(C)=O)o1)CC2=O 587475769 AGKSBZRGWSQKAL-GOSISDBHSA-N 344.363 3.707 0 1 EHAF O=C1C[C@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H]2C1)-c1ccccc1C5=O 586991246 RXRMJXFNPPTFRC-IINYFYTJSA-N 341.366 3.771 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccn(C)n4)c1)[C@@H](C2)C3=O 587431373 KDFINKDXPMGDJR-HRAATJIYSA-N 346.386 3.584 0 1 EHAF NC(=O)Nc1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 587244137 XHWBCJUEVBYINX-UHFFFAOYSA-N 336.273 3.619 0 1 EHAF CN1C(=O)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518770 PIANRMUVLFHANX-JOCHJYFZSA-N 347.414 3.793 0 1 EHAF CC(C)n1ncc(-n2nc3cc2Oc2ccc(F)cc2-3)c(Cl)c1=O 587873383 AJVLRWSQGKYYPV-UHFFFAOYSA-N 346.749 3.575 0 1 EHAF Cc1cc(Br)c(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1F 587137608 CIVZKZOGWKOUIW-UHFFFAOYSA-N 348.175 3.539 0 1 EHAF O=C1C(c2c(O)[nH]c3cc(Br)ccc23)=Nc2ccccc21 13559450 WPLPQAPDKVSKJQ-UHFFFAOYSA-N 341.164 3.953 0 1 EHAF O=C1O[C@H](CN2CCCCC2)CC1(c1ccccc1)c1ccccc1 13651087 WZMJBWBEEZNFQK-FQEVSTJZSA-N 335.447 3.774 0 1 EHAF O=Cc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)c(O)c1 169330888 FHMTWLMVEPPUHE-UHFFFAOYSA-N 345.398 3.767 0 1 EHAF Cn1nc(-c2ccccc2)c2c(/C=C/c3ccc(F)cc3)onc2c1=O 1622843 YOXOBFDMQQBELS-FMIVXFBMSA-N 347.349 3.898 0 1 EHAF CN1C[C@H]2C[C@@H]1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 13456294 GVNGZGPVJXWAOP-AHRSYUTCSA-N 335.447 3.628 0 1 EHAF Cc1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12 14968492 VGAKCOHWSSQOBR-UHFFFAOYSA-N 338.251 3.768 0 1 EHAF O=C(Nc1cccc(O)c1)c1cccc2[nH]c(-c3ccncc3)nc12 28368519 YAQITOZMBWBWRY-UHFFFAOYSA-N 330.347 3.583 0 1 EHAF O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3cc(O)ccc3c21 34804041 IRLCFDGXOHEOAZ-UHFFFAOYSA-N 328.327 3.577 0 1 EHAF CCOC(=O)[C@@]12C[C@]1(C1CCCC1)c1cc(Cl)ccc1NC2=O 34821494 JZAKCALIRFMPLL-ROUUACIJSA-N 333.815 3.673 0 1 EHAF Cc1cc2c(s1)c1cnn(Cc3ccccc3Cl)c(=O)c1n2C 36380367 UDPMZPQSGJFGPP-UHFFFAOYSA-N 343.839 3.960 0 1 EHAF C[C@@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(CO)cc3)cc2)C1=O 38542297 ARSWEFWZYKJHJN-RNODOKPDSA-N 340.444 3.626 0 1 EHAF O=Cc1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C=O)OCO3 45393678 LAQNYRCEBBQTLS-UHFFFAOYSA-N 348.310 3.589 0 1 EHAF c1cnc(-c2oc3cnccc3c2Nc2cccc3[nH]ncc23)nc1 66165807 DXAZNLDWFQEWKT-UHFFFAOYSA-N 328.335 3.905 0 1 EHAF CC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(OC(C)C)nn2)cc1 66258529 APNVLKPTTKDDIK-AWEZNQCLSA-N 343.427 3.513 0 1 EHAF Fc1ccc(F)c(CO[C@H](CCn2cncn2)c2cccs2)c1 71329380 XJLRNTCSZNYOGD-OAHLLOKOSA-N 335.379 3.966 0 1 EHAF COc1ccc(O)c(-c2cc(-c3cccc(Cl)c3)nc(N)n2)c1 73276569 KDHAWTOPHYPVJB-UHFFFAOYSA-N 327.771 3.760 0 1 EHAF CCc1nn(Cc2cc(Cl)ccc2Cl)c(CC)c1CC(=O)O 84652196 AHVWMZCTCTUCGZ-UHFFFAOYSA-N 341.238 3.990 0 1 EHAF COc1cc2ncnc(Nc3cccc(F)c3)c2c(OC)c1OC 96916409 UZYQNDJQDBGZME-UHFFFAOYSA-N 329.331 3.538 0 1 EHAF N[C@@H]1CCC[C@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)C1 144965684 VNIWTXNUFSBXML-CABCVRRESA-N 341.846 3.732 0 1 EHAF C[C@@]12OCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(O)cc13 145901783 XOZAXMMYGWQNQM-HKBOAZHASA-N 327.468 3.630 0 1 EHAF COc1cc(C=O)c(OCc2cc3ccccc3nc2Cl)cn1 146019972 QWIXOMYGRZKIHB-UHFFFAOYSA-N 328.755 3.683 0 1 EHAF O=C(NCc1ccccn1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 166617120 OLLILAMLNFPHPR-UHFFFAOYSA-N 346.365 3.694 0 1 EHAF CCN(CC)C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N2C 169360222 HVKNYGIHMRFIPC-XWTMOSNGSA-N 334.891 3.775 0 1 EHAF COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@@H](C)[C@@H]2C)OCO4)ccc1O 257512797 PKDKRIQIMYSIFF-ZHYXMNDGSA-N 340.375 3.730 0 1 EHAF CO/C=C/[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346013 AQLAFRGDNDJHIQ-BBSZANLASA-N 328.339 3.809 0 1 EHAF Oc1nc(O)c2ccc(/C=C/c3ccc(C(F)(F)F)cc3)nc2n1 587368315 NBZDGVKXEOIYOM-ZZXKWVIFSA-N 333.269 3.625 0 1 EHAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sn1 587616305 BOWAGHJFLOIIDG-QAPCUYQASA-N 339.372 3.860 0 1 EHAF Cc1cccc(NC(=O)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587874289 ZZEBOOUSFWOCPA-UHFFFAOYSA-N 337.310 3.382 0 1 EHAF NC(=O)c1cccc(-c2cn(CC(CF)CF)c3cc(N)ccc23)c1 1857606914 WUUNUCAVOYUNOG-UHFFFAOYSA-N 343.377 3.545 0 1 EHAF CC(C)[C@]1(O)CCC[C@]2(O)[C@@H]1CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]12C 2356397966 KWAJHVRAGSUICW-ZDVJGZLISA-N 338.488 3.596 0 1 EHAF COc1cc(C=CCO)ccc1OCC=C(C)CC=CC(C)(C)O 2356393158 BQDUSRYKMRRRCR-UHFFFAOYSA-N 332.440 3.743 0 1 EHAF O=C1CS[C@H](c2c(F)cccc2F)N1c1ccc(Cl)cn1 3587225 FSOIAWWUVHZTNG-CQSZACIVSA-N 326.755 3.792 0 1 EHAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@@]4(C)[C@H]3[C@H](O)C[C@@]12C 7997754 GZENKSODFLBBHQ-ZXAVFOQFSA-N 344.495 3.940 0 1 EHAF COc1cc2c(O)c3c(c(-c4ccccc4)c2cc1OC)C(=O)OC3 103187909 KVSGKQFFPGWQDP-UHFFFAOYSA-N 336.343 3.900 0 1 EHAF CO[C@H]1C=C(O)[C@@H]2[C@@H]3C[C@H]4CC[C@@]56CCC[C@@H]5C=CC[C@@]4([C@@]12O)[C@]36C 103575434 JXQHFTDLSRGNLB-VDKKXUPTSA-N 342.479 3.987 0 1 EHAF biogenic,in-vitro CCc1ccc(N(C)C(=O)COc2onc(C(F)(F)F)c2C)cc1 103190083 DBXADQSNQHLGAJ-UHFFFAOYSA-N 342.317 3.606 0 1 EHAF COC(=O)c1cnc(Nc2ccc(OC)c(OC)c2)c2ccccc12 21650021 WFHNRBDGMQESRK-UHFFFAOYSA-N 338.363 3.782 0 1 EHAF CO/C=C/[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 28569922 OTRGSZVOULSZGL-LECUEDNESA-N 332.484 3.811 0 1 EHAF C[C@@H]1CC(=CC(=O)O)C2OC3(CC(=O)[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]13)O2 2356429818 IZFWOIUEWBPLPY-DUVNSYIUSA-N 348.439 3.528 0 1 EHAF Clc1ccc(-c2cc3c(ncn4nnnc34)n2-c2ccccc2)cc1 64453902 CYMNHIGCFZEPLU-UHFFFAOYSA-N 346.781 3.784 0 1 EHAF CC(=O)OCCC=CC=CC=CCCc1ccc(O)c(OC(C)=O)c1 2356676628 WMYQRZNNTOOHHF-UHFFFAOYSA-N 344.407 3.872 0 1 EHAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C(=O)O)[C@@]2(C)CCC(=CCO)CO 2356781850 CARVBZGFRUGPHE-HNBVOPMISA-N 336.472 3.541 0 1 EHAF Cc1cccc([C@@H](C)N(CCCCN)Cc2nc3ccccc3[nH]2)n1 66080065 BBBZKTHPTJZGIN-MRXNPFEDSA-N 337.471 3.568 0 1 EHAF Cc1cccc(-c2cc(Nc3nn(C)cc3C)nc3[nH]cc(C#N)c23)n1 219683112 BGDVHDMLORIBJR-UHFFFAOYSA-N 343.394 3.591 0 1 EHAF CC(=O)Nc1ncc(CN2CCC(c3cccc(C)c3)CC2)s1 218870769 FGDGBQIAOLLRHU-UHFFFAOYSA-N 329.469 3.790 0 1 EHAF CCCCC[C@@H]1/C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O1 40465396 PAPRKPWTFGPHGR-HUKXYIHPSA-N 336.472 3.955 0 1 EHAF CN1CCC(COC(=O)C(C)(c2ccccc2)c2ccccc2)CC1 43024238 FNPJDDUCSPBHON-UHFFFAOYSA-N 337.463 3.878 0 1 EHAF Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1 98209150 LTZZOZXCYRCKFV-UHFFFAOYSA-N 325.843 3.845 0 1 EHAF in-vitro Cc1ncc(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)s1 95602178 WLYIZXOGPZGASW-UHFFFAOYSA-N 330.434 3.793 0 1 EHAF O=C(NCCCc1ccccc1)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2 263590768 PEKYICJRHKGXDZ-WCIQWLHISA-N 342.483 3.608 0 3 EHAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]23CO[C@](C)(O)[C@@H]2CC[C@@H]13 299848386 OPBWRTJTMOOQDF-KWHHLLRUSA-N 334.500 3.725 0 1 EHAF Cc1nc(-c2cccnc2)sc1-c1nnc(-c2ccc(O)cc2)o1 653883092 JAOJEERFOHMETA-UHFFFAOYSA-N 336.376 3.936 0 1 EHAF FC(F)(F)CSc1cc(-c2nc3nc(Cl)c[nH]c-3n2)ccn1 587092094 RSEWLTIRXZVKIF-UHFFFAOYSA-N 345.737 3.674 0 1 EHAF CC(=O)C[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816320 WLGAYKXIEYDHOX-FVMDXXJSSA-N 340.236 3.707 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3nc(O)sc3c1)O2 587412877 DOIBDRKSBNYFIS-GOSISDBHSA-N 340.404 3.773 0 1 EHAF O=C(O)c1cc(F)cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587081120 SSWAXLSXWCSXFE-CYBMUJFWSA-N 332.718 3.730 0 1 EHAF CCn1cc(Br)c(Cc2nc3c(C)ccc(C)c3[nH]2)n1 587000030 KBIBUIQETCGQBR-UHFFFAOYSA-N 333.233 3.749 0 1 EHAF COc1ccc(C=O)cc1-c1nc2cccc(Br)c2[nH]1 587788125 WSKYFQINBZTTBN-UHFFFAOYSA-N 331.169 3.814 0 1 EHAF FC(F)(F)c1cnc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587016150 HJVJNGTYRDAODE-JTQLQIEISA-N 340.330 3.952 0 1 EHAF Nc1c(-c2nc3cncnc3[nH]2)sc2cc(Br)ccc12 587032087 QZPCALSRUUMCDC-UHFFFAOYSA-N 346.213 3.579 0 1 EHAF O=C1C[C@@H](c2c(O)ccc3c2OCO3)Oc2c1ccc1c2CCCC1 587536002 QDZDAWKHNQXCIR-KRWDZBQOSA-N 338.359 3.706 0 1 EHAF COc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2n1 587247858 VKHHHWKFAOSYDN-UHFFFAOYSA-N 344.374 3.886 0 1 EHAF Cc1cccc(NC(=O)Cc2nc3c(C)cnc(Cl)c3[nH]2)c1C 587239882 ZULLGENONSPFHM-UHFFFAOYSA-N 328.803 3.718 0 1 EHAF CCC[C@@]1(C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811431 FUHRAMDNUDKGIT-VFZGTOFNSA-N 328.225 3.707 0 1 EHAF Clc1nccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006489 LMBYRBGLGFQETJ-UHFFFAOYSA-N 348.591 3.689 0 1 EHAF Nc1ccc2c(c1)oc1ccc(-c3ccc4c(O)nc(O)nc4n3)cc12 587555612 QKEJZCLYBHKKLY-UHFFFAOYSA-N 344.330 3.585 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnsc2)N1 587858200 PFESZPQHYORKID-FUXBKTLASA-N 327.222 3.668 0 1 EHAF CCn1ccnc1[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587389053 DXRZJHSZWIAASP-OAQYLSRUSA-N 347.418 3.703 0 1 EHAF Cc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587197700 SYPGOGBGRHPJJA-CQSZACIVSA-N 345.443 3.787 0 1 EHAF CCOc1n[nH]c(-c2nc3cc(C)cc(C)c3[nH]2)c1Br 586980339 VPIAKIRKHVTOFV-UHFFFAOYSA-N 335.205 3.731 0 1 EHAF CN(C)CCOc1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586885855 XCMLGOPSYDDCEG-QSLMVLCRSA-N 339.483 3.971 0 1 EHAF CCOC(=O)c1cc2cc([C@@H]3NCCc4c(C)ccnc43)ccc2o1 963075186 RFKSMCLVUIKAHR-SFHVURJKSA-N 336.391 3.548 0 1 EHAF CC1(C)[C@@H]2OCC[C@H]2[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961314786 ANLXIWRJICEZRB-SIIHOXLZSA-N 348.284 3.768 0 1 EHAF Cc1ccc([C@@]2(c3cccs3)c3nn(C)cc3CCN2C)cc1C 963956289 VKODDFCQAYNYKV-HXUWFJFHSA-N 337.492 3.878 0 1 EHAF C[C@]1([C@@H]2CCCO2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644918 XWFGMKMEDYFFIJ-AKIFATBCSA-N 348.490 3.828 0 1 EHAF O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 13133472 HKQNHESHJCTPJH-XXHBBNRNSA-N 328.195 3.679 0 1 EHAF COC(C)(C)[C@@H](O)CC/C(C)=C/COc1ccc2ccc(=O)oc2c1 14587269 HODOWBFKRLQCBH-BJRSVTDJSA-N 346.423 3.684 0 1 EHAF endogenous,in-man CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)cc1 4053652 WNXOTSCXVRFWCT-QUCCMNQESA-N 336.435 3.990 0 1 EHAF COc1ccc2c(c1OC)OC[C@H]1CNc3cc(C)c(C)cc3N[C@@H]21 5160397 KWCFJUVXOFJENX-FZKQIMNGSA-N 340.423 3.908 0 1 EHAF CC1(C)C[C@@]2(CC(C)(C)c3ccc(O)c(N)c32)c2cc(O)c(N)cc21 5835850 QCGQCLFKQHHRBH-NRFANRHFSA-N 338.451 3.911 0 1 EHAF O=c1c(-c2ccccc2)cncn1[C@H](CN1CCCC1)c1ccccc1 13488428 HRAJKYKDOGNEMT-OAQYLSRUSA-N 345.446 3.596 0 1 EHAF CC1(C)Oc2ccc3c(c2C[C@H]1O)O[C@H](c1ccc(O)cc1)CC3 14723945 MWPKKKZPSWEABN-FUHWJXTLSA-N 326.392 3.533 0 1 EHAF biogenic CC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC 14967345 TVOBMQIZLQHIGU-SECBINFHSA-N 326.318 3.544 0 1 EHAF Cc1cnc(C)c(-c2cccc(-c3ccn(CCN4CCCC4)n3)c2)n1 23479212 PTTMUWZCYNOKSV-UHFFFAOYSA-N 347.466 3.720 0 1 EHAF c1ccc2[nH]c(-c3ccc(-c4ccc(C5=NCCN5)cc4)o3)nc2c1 26158213 XDFQDDCYYZDDDY-UHFFFAOYSA-N 328.375 3.840 0 1 EHAF COc1cc(/C=C/C=C/c2nc3cc(C(=O)O)ccc3o2)ccc1O 27212335 YPBGHIPMBXCPAM-ZUVMSYQZSA-N 337.331 3.967 0 1 EHAF c1cc(Nc2ccc3[nH]cnc3c2)nc(Nc2ccc3[nH]cnc3c2)n1 28523724 PGAJKZDUSZFTCV-UHFFFAOYSA-N 342.366 3.716 0 1 EHAF Nc1ncnc2c1N=C1c3ccccc3CC[C@@H]1[C@H](c1ccccc1)N2 53242841 KTCUKQPCSWLKFE-SJORKVTESA-N 341.418 3.909 0 1 EHAF NC(=O)c1ccn(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1 58582232 XALQVCHIEPRQSZ-UHFFFAOYSA-N 347.296 3.537 0 1 EHAF C[C@H](Nc1nnc(Nc2ccc(Cl)cc2)nn1)c1ccccc1 64637956 LISJXWGALHIDGE-NSHDSACASA-N 326.791 3.837 0 1 EHAF Nc1cc(-c2ccccc2)n(Cc2coc(-c3cccc(F)c3)n2)n1 72184417 SXTGMZFZNIJBEV-UHFFFAOYSA-N 334.354 3.975 0 1 EHAF Cc1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1 95755498 HWSSDTMILABHOI-UHFFFAOYSA-N 325.393 3.678 0 1 EHAF COc1ccc(CNc2ccnc(-c3ccc(N(C)C)cc3)n2)cc1 96922237 OAVUQYYOBQWDIP-UHFFFAOYSA-N 334.423 3.830 0 1 EHAF CCC(=O)N1[C@H]2CC[C@@H]3[C@H]1CC[C@H]2N3C/C=C/c1cccc(Cl)c1 102907886 ACRMRXLXLOKVTF-DGFGQBJCSA-N 344.886 3.969 0 1 EHAF COc1ccc(F)cc1-c1nc2c(C)[nH]n(Cc3ccccc3)c-2n1 103586018 SHORFMITNQIILO-UHFFFAOYSA-N 336.370 3.882 0 1 EHAF COC(=O)c1cc(OC)c(Cl)c(O)c1Oc1cc(C)cc(O)c1 200937415 FNPOHLRKVIRQFJ-UHFFFAOYSA-N 338.743 3.647 0 1 EHAF C/C=C(\C)[C@H]1[C@H](/C=C/C=C/C(=O)O)[C@H]2[C@@H](C)CCC[C@]2(O)C(=O)[C@@H]1C 238778339 ZXYZBGMCPBTWIA-KPFKAZDTSA-N 346.467 3.768 0 1 EHAF COc1cc(N2CC[C@@H](c3ccccc3)C2=O)ccc1-c1cn[nH]c1 584630412 ZXFSZDSOYCILTC-SFHVURJKSA-N 333.391 3.606 0 1 EHAF O=C1c2ccccc2-c2cc(-c3ccc(O)cn3)nc3ccc(O)c1c23 586988260 OKWHSICLSGSMRP-UHFFFAOYSA-N 340.338 3.919 0 1 EHAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc3c(cc2[nH]1)OCCO3 587028804 YAMHKUGSXGHGHX-UHFFFAOYSA-N 338.392 3.761 0 1 EHAF O=C(NCc1nc2cc(Cl)cc(F)c2[nH]1)c1cc2c(s1)CCC2 587035081 NRFVYERXXKHANO-UHFFFAOYSA-N 349.818 3.836 0 1 EHAF COC(=O)C1=Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587098367 QQBOYQODPUULGQ-UHFFFAOYSA-N 341.366 3.867 0 1 EHAF COc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1F 587177578 NTHGPEAGYRBGPB-UHFFFAOYSA-N 330.338 3.512 0 1 EHAF CCc1ccccc1NC(=O)c1nc2c(Br)nccc2[nH]1 587240421 DKMWBVSWPRVJEF-UHFFFAOYSA-N 345.200 3.535 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(=O)O)c1Cl)O2 587378782 PTASHDOZXOQWDD-CQSZACIVSA-N 331.755 3.635 0 1 EHAF COc1c(F)cccc1CC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587383116 XWJILCWIEXCYFI-CYBMUJFWSA-N 329.371 3.692 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)nc1C)[C@@H](C2)C3=O 587424551 ZRSARNCVJUTJPT-SJCJKPOMSA-N 349.308 3.906 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](CCCCCC(=O)OC)CC2=O 587479164 KVBKAJQCVYUUTF-CYBMUJFWSA-N 334.412 3.802 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(CN1CCC[C@@H](C)C1)CC2=O 587482065 ZABBFCZUXOLSJX-JLTOFOAXSA-N 331.456 3.801 0 1 EHAF 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CCOc1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@@H]3CCCN32)cc1 250634242 OWDMVSBDZFKESW-OALUTQOASA-N 340.398 3.734 0 3 EHAF Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1 19659 BATHQYAQIQGDNM-UHFFFAOYSA-N 347.462 3.989 0 1 EHAF Cc1ccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)cc1 13523684 VQGMYZTZXCOYRW-UHFFFAOYSA-N 348.450 3.933 0 1 EHAF COc1cc([C@H]2Oc3c(OC)cc(CC(C)=O)cc3[C@H]2C)ccc1O 14584501 JSZPLRAHDGBRIJ-BLVKFPJESA-N 342.391 3.778 0 1 EHAF biogenic C[C@@H]1Oc2cc3c(c(O)c2C1(C)C)C(=O)C[C@@H](c1ccc(O)cc1)O3 14723727 MNHSEANWZYLOHY-HZMBPMFUSA-N 340.375 3.863 0 1 EHAF biogenic COc1ccc(C(=O)c2c(C)n(C[C@H]3CCCN3)c3ccccc23)cc1 26272637 PKKDOWVHCTXUNP-QGZVFWFLSA-N 348.446 3.941 0 1 EHAF CO[C@@H](c1ccccc1)c1scnc1C(=O)Nc1nccs1 28468938 ZAVRVDCGQLTDSH-LBPRGKRZSA-N 331.422 3.588 0 1 EHAF Cc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)[C@@H](C)CNC3=O 28901964 HWBJYDRREYKVIL-LBPRGKRZSA-N 333.391 3.576 0 1 EHAF CNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12 28959050 ZIUASOZHSLOGGL-UHFFFAOYSA-N 337.608 3.854 0 1 EHAF 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KKSPYODVFZFKQJ-QFIPXVFZSA-N 348.421 3.723 0 1 EHAF Clc1cc(Cl)c2c(c1)[C@@H](c1ccc(-n3ccnc3)nc1)NCC2 963113282 QPBJDEOTZNBBHR-QGZVFWFLSA-N 345.233 3.809 0 1 EHAF COc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2OC)cc1 1857568728 SDXLALMMELDMMK-UHFFFAOYSA-N 339.313 3.653 0 1 EHAF c1ccc(-c2cnc3[nH]cc(-c4ccc(-n5cnnn5)cc4)c3c2)cc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c1nnnn1C1CCCC1)N1CCCc2ccccc21 417497 VEIXNOODGDTSHF-GOSISDBHSA-N 325.460 3.938 0 3 EHAF 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Cc1noc(C)c1-c1ccc2c(c1)[C@@](CCO)(c1ccccc1)C(=O)N2 219446176 WIPIXNYIZGZLMM-OAQYLSRUSA-N 348.402 3.579 0 1 EHAF COC(=O)c1cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2cn1 586898781 ODBREHPXUKEAAO-UHFFFAOYSA-N 345.358 3.784 0 1 EHAF Cc1c(-c2nc3cc(N)c(N)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166408 RUBOZXKCSYPGNM-UHFFFAOYSA-N 335.386 3.847 0 1 EHAF COC(=O)c1cccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c12 587201417 MDOQAWPCCGWFDG-UHFFFAOYSA-N 339.395 3.705 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)ncnc1Cl)O2 587380879 XRMJZUOBRDEJNI-OAHLLOKOSA-N 338.194 3.555 0 1 EHAF CCN1c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2C[C@H]1C 587438632 QIYFEEUXLSNQGF-LPCJOIQWSA-N 349.430 3.955 0 1 EHAF C[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608549 LIKBQODUZAGABG-WIYYLYMNSA-N 348.354 3.975 0 1 EHAF COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1cc(F)ccc1F 587635026 YCPUPVKNQNMLOE-UHFFFAOYSA-N 333.265 3.603 0 1 EHAF CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 587793847 LUJQFNCMNUCOJT-GLEZIHRCSA-N 339.208 3.762 0 1 EHAF 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336.435 3.840 0 1 EHAF N=C(N)c1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1 587250756 PABAZLOVJWDOEO-UHFFFAOYSA-N 327.391 3.763 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1n[nH]c3c(C)cc(F)cc13)O2 587386257 XBZRHOUICUUYBO-OAHLLOKOSA-N 325.343 3.608 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN([C@@H]3CCCC[C@H]3C)CC1)O2 587395541 ODAGJDQTBMXOQQ-CRAIPNDOSA-N 342.483 3.956 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1Cl)[C@@H](C2)C3=O 587420544 QFADRWIZHKGOKQ-SGTLLEGYSA-N 330.767 3.846 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)c(OC)c1)CC2=O 587472788 NAVTWPHOZAFSCE-FQEVSTJZSA-N 341.407 3.816 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(CO)c1)CC2=O 587488481 JOQKLFFWPOFNOS-HXUWFJFHSA-N 326.392 3.718 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccn1 587567769 CBBSIPJGEDZZAC-APWZRJJASA-N 337.306 3.629 0 1 EHAF COC[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597134 SKQPYBBZINLMHK-YLJYHZDGSA-N 342.391 3.785 0 1 EHAF Cc1nn([C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1Cl 587874385 YGVCWYHJDISRIG-VIFPVBQESA-N 346.749 3.855 0 1 EHAF Fc1ccc(N=c2nc3cnccc3c(NCc3ccccc3)[nH]2)cc1 1857743826 MMDHGSNSNNECTR-UHFFFAOYSA-N 345.381 3.942 0 1 EHAF CNC(=O)c1oc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N 1857752397 ZPXIHJMGSBGOIG-UHFFFAOYSA-N 341.314 3.517 0 1 EHAF CCCNC(=O)[C@@]1(C)CCCN(Cc2cccc(C(F)(F)F)c2)C1 61896856 KABMDWODCODMNA-KRWDZBQOSA-N 342.405 3.834 0 3 EHAF CCOC(=O)c1c(C)n(C)c2c1cc(O)c1[nH]c3c(c12)CCCC3 1663406 FAIJNCAKHQGHTO-UHFFFAOYSA-N 326.396 3.729 0 1 EHAF COC1=C(c2ccc(OC)cc2)C(=O)O/C1=C\c1ccc(OC)cc1 13373855 PDGHMAAELOTXQZ-ATVHPVEESA-N 338.359 3.659 0 1 EHAF FCCCN1CCC(COc2ccc(Br)cc2)CC1 13605810 AHAGIIZNUZGGLS-UHFFFAOYSA-N 330.241 3.900 0 1 EHAF O[C@]1(c2ccc(-c3nc4ccccc4s3)cc2)CN2CCC1CC2 13757118 PKDJSXUFSNOCDM-FQEVSTJZSA-N 336.460 3.877 0 1 EHAF CCCCN(CCCC)CC[C@@H]1CN(C)C(=S)c2cccnc2O1 26288555 INSBIUPLUKUZCP-MRXNPFEDSA-N 349.544 3.742 0 1 EHAF CCNc1ncnc2sc3c(=O)n(-c4ccc(C)cc4)ccc3c12 35285463 CNFAEBPKUNACJT-UHFFFAOYSA-N 336.420 3.736 0 1 EHAF COC(=O)c1ccc2c(c1)c1c(n2CCCn2ccnc2)CCCC1 73196772 FIYQMRUTYABPBV-UHFFFAOYSA-N 337.423 3.594 0 1 EHAF Cc1cc(NC(=S)NC(=O)c2ccccc2)c(C(C)C)cc1O 84690943 HWWXALNOZWSTSB-UHFFFAOYSA-N 328.437 3.951 0 1 EHAF CC(C)(C)c1ccc(-c2ncnc3c(CNC(=N)N)cccc23)cc1 96915144 SMVSNOHPDRZLPF-UHFFFAOYSA-N 333.439 3.577 0 1 EHAF O=C1NC(=O)/C(=C\c2cccc(-c3cc(=O)c4ccccc4o3)c2)S1 98084056 JWZOTSXNISXUQW-RQZCQDPDSA-N 349.367 3.784 0 1 EHAF Cc1cccc(NC(=S)c2c3n(c(=O)c4ccccc24)CCN3)c1 101578733 KMSLONGITWRIMY-UHFFFAOYSA-N 335.432 3.523 0 1 EHAF Cn1cc(-c2ccc(F)cc2)nc1CSc1nc2ccccn2n1 113420073 ORBQLKJUUCBRFJ-UHFFFAOYSA-N 339.399 3.561 0 1 EHAF Fc1c(F)c(F)c(/C=C\c2nc3cnc(Cl)[nH]c-3n2)c(F)c1F 587134471 LSRJYDBUBBQJNY-UPHRSURJSA-N 346.646 3.824 0 1 EHAF COc1nccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587135949 ITSYTHGPSKPBEW-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF Cc1cc2nc(Cc3cc(N)ccc3F)[nH]c2cc1Br 587141273 PKEPPGOVNVJZNZ-UHFFFAOYSA-N 334.192 3.946 0 1 EHAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(Br)cnc2[nH]1 587168417 IFJYGZLXIBPGTA-QMMMGPOBSA-N 336.164 4.000 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)OC(F)(F)O3)O2 587381047 FWNRGBDHMUJSLY-QGZVFWFLSA-N 347.317 3.779 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)ccc1-n1cccn1)O2 587390757 INOSOHNSNPJOLL-LJQANCHMSA-N 333.391 3.778 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1Cl)[C@@H](C2)C3=O 587421453 MFBWEWIYHLJCGV-SCLBCKFNSA-N 330.767 3.846 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cnc(CC(C)C)s1)[C@@H](C2)C3=O 587449097 DVBGRQXADGJTML-SGTLLEGYSA-N 329.421 3.839 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)CC)nc1)CC2=O 587468838 KIWYUMDWNLFNJF-SFHVURJKSA-N 340.423 3.902 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccc(CC(=O)O)c1)CC2=O 587479710 CKOZXGQBSHXKGU-SFHVURJKSA-N 340.375 3.678 0 1 EHAF COc1cccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)c1 587560198 XUCFRGIAKJHNGT-UHFFFAOYSA-N 345.358 3.779 0 1 EHAF Cc1ccncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589182 WBCGICHQTVOUIE-YLJYHZDGSA-N 333.343 3.799 0 1 EHAF Cc1[nH]c2cc(F)ccc2c1[C@H]1COCCN1C(=O)OC(C)(C)C 587636925 PVHLDBBJPULZRI-OAHLLOKOSA-N 334.391 3.924 0 1 EHAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 587784261 GOAWOZCUJGWAMZ-NWDGAFQWSA-N 327.771 3.555 0 1 EHAF C[C@H]1CC(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1C 587822128 IVXPWDPGYJDIKL-HVFXKWQYSA-N 340.236 3.563 0 1 EHAF COc1ccc(Nc2nccc(Nc3ccc4n[nH]cc4c3)n2)cc1 653888085 XALNIGJUFJYYNI-UHFFFAOYSA-N 332.367 3.849 0 1 EHAF CC1=C[C@]2(NCCc3ccc(C(=O)N(C)C)cc32)[C@H](C(C)C)CC1 962927974 GDUOELGXFIAIEX-RXVVDRJESA-N 326.484 3.742 0 1 EHAF Cc1cccc(-n2ccc(OC[C@H]3CCc4ccccc4O3)cc2=O)c1 1857539631 YRKXISBGLRTDHT-HXUWFJFHSA-N 347.414 3.919 0 1 EHAF CC[C@H](CC(=O)NCc1ccc2nc(O)[nH]c2c1)c1ccccc1F 1857543755 VBGFMCUVVZRJHR-CYBMUJFWSA-N 341.386 3.608 0 1 EHAF CCCCNC(=O)c1sc(=S)n2c1nc(O)c1ccccc12 2956460 PVTLNMJKLCIZBJ-UHFFFAOYSA-N 333.438 3.514 0 3 EHAF CCOC(=O)COc1ccc([C@@H]2CC(C)=NN2c2ccccc2)cc1 4185117 RXCVAYSJNKDUCI-IBGZPJMESA-N 338.407 3.956 0 3 EHAF CC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(-c2ccccc2)c1 61943081 WWZMEPGWTQPLBG-ACRUOGEOSA-N 336.435 3.509 0 3 EHAF CCOc1ccc(-c2nc(CSCC(=O)NC(C)C)c(C)o2)cc1 3063484 CGJGLAMWAKDFKE-UHFFFAOYSA-N 348.468 3.807 0 1 EHAF CS(=O)(=O)c1ccc(-c2cnc(CF)n2-c2ccc(F)cc2)cc1 13525116 CGXGNSVMEYJCDU-UHFFFAOYSA-N 348.374 3.551 0 1 EHAF O=S(=O)(Cc1ccccc1)N1CCC2(C=Cc3ccccc32)CC1 13728224 LSARVEVVBKXHAD-UHFFFAOYSA-N 339.460 3.577 0 1 EHAF CCc1cc(CCCOc2c(C)cc(-c3ncon3)cc2C)on1 26489874 OMGKQDILBYULOB-UHFFFAOYSA-N 327.384 3.915 0 1 EHAF CN(C)c1ccc(N2Cc3cc(Br)ccc3C2=O)cc1 29038418 NJEJLKZHAKGUKT-UHFFFAOYSA-N 331.213 3.676 0 1 EHAF C[C@H]1N=CN(Nc2cccc(Cl)c2)[C@@H]1c1cccc(C(=O)O)c1 29327638 RNGZJSFGXQBNHI-BZNIZROVSA-N 329.787 3.839 0 1 EHAF COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2[C@H]1O3 29571707 QCKRJTMYXCHUDG-HXUWFJFHSA-N 348.402 3.712 0 1 EHAF COc1ccc2cc([C@@H](O)c3cc(OC)c(OC)c(OC)c3)oc2c1 45358805 JKXJOAWLCGSNRE-SFHVURJKSA-N 344.363 3.549 0 1 EHAF CCCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21 64539669 YWLKWPWPNARODM-UHFFFAOYSA-N 337.305 3.879 0 1 EHAF C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](NC(N)=O)CC[C@@]43C)[C@@H]1CCC2=O 153430063 RQUJDLYPEZVGRT-NIDXHAAISA-N 330.472 3.555 0 1 EHAF COC(=O)/C=C\c1ccc(OC/C=C(\C)C[C@@H](O)C=C(C)C)cc1 238742358 LTLZWHMFKURVPA-KUVZFAPJSA-N 330.424 3.915 0 1 EHAF CC(C)N1CCC(Cc2cc(-c3ccccc3C(=O)O)ncn2)CC1 299850830 QHJOPNVYHMQQLX-UHFFFAOYSA-N 339.439 3.505 0 1 EHAF Cc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1F 586912128 FHBPGGHIFUEFBS-UHFFFAOYSA-N 326.371 3.813 0 1 EHAF COc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2n1 587029184 KEWXPZBMKLQYDY-UHFFFAOYSA-N 338.392 3.669 0 1 EHAF Nc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C(F)(F)F)c1 587095648 OVBCNNVSXCOTIH-CYBMUJFWSA-N 335.289 3.555 0 1 EHAF FC(F)(F)c1cc(Cc2nc3cnncc3[nH]2)cc(C(F)(F)F)c1 587109200 CLRDXBCNLSWOSK-UHFFFAOYSA-N 346.234 3.981 0 1 EHAF Cc1cc(Br)c2[nH]c(-c3cccc(N)c3C(=O)O)nc2c1 587248479 QRVBUYGOWNIMOK-UHFFFAOYSA-N 346.184 3.581 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1nc(C(C)(C)C)no1)CC2=O 587483382 MFAQHVHAZYLBHF-CQSZACIVSA-N 330.384 3.732 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(CC(C)(C)CC(=O)O)CC2=O 587492745 YKBUHCNGVMVQCU-IBGZPJMESA-N 334.412 3.960 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)nc1 587570285 ODQYWZXUKUIDCQ-APWZRJJASA-N 337.306 3.629 0 1 EHAF FC(F)(F)C[C@]1(c2ccccc2)NCCc2nc3ccccn3c21 962990716 SWIFABRZHTYQAO-QGZVFWFLSA-N 331.341 3.676 0 1 EHAF Clc1cc(NCC2CC2)c2ncc(-c3ccc4c[nH]nc4c3)n2n1 1857580517 WBZBSNMQILYLLL-UHFFFAOYSA-N 338.802 3.748 0 1 EHAF CCO[C@H]1OC(=O)C(Cl)=C1Nc1ccc(-c2ccc(N)cc2)cc1 1857647366 HKSKJDZODNCDFE-SFHVURJKSA-N 344.798 3.718 0 1 EHAF CC=CC=CC=C[C@H]1Cc2c(C)c(COC(C)=O)cc(O)c2C(=O)O1 2356456464 FMZSLXMOPCTSME-INIZCTEOSA-N 342.391 3.534 0 1 EHAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=CC2=CCC[C@@H](C)[C@@]21C 2356469951 IUILTPPQAYRTKI-XSXHMXBXSA-N 328.408 3.998 0 1 EHAF Cn1cc(Cc2ccc(C(=O)N3CCCCC3)cn2)c2ccccc21 61903449 VVSSRJMQKHOCJL-UHFFFAOYSA-N 333.435 3.790 0 3 EHAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccccc3)C(=O)N21 6395060 PQXGFUMLXFOBIK-QGZVFWFLSA-N 345.402 3.797 0 1 EHAF biogenic CC(C)C(=O)N(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 13682534 KIHLFRSRPPCZRZ-UHFFFAOYSA-N 343.267 3.618 0 1 EHAF C/C(=C\COc1ccc2ccc(=O)oc2c1)C1=CC(=N)C(C)(C)O1 26727428 JQZXJPJSCJINBX-CJPOYQPDSA-N 325.364 3.831 0 1 EHAF CC(C)=CCC[C@@](O)(CO)[C@@H]1CC/C(=C\CCc2ccoc2)CO1 29042224 JRRKNNHWQABOMA-YDPNSHHKSA-N 334.456 3.787 0 1 EHAF C=Cc1c(C)c(O)cc2c1CC[C@H](C(C)(C)C(=O)O)[C@@]2(C)CC(=O)O 29042355 FJZVRPIMSAZTOY-UZLBHIALSA-N 346.423 3.749 0 1 EHAF biogenic c1ccc(Cc2ccccc2OCCCCN2CCOCC2)cc1 29245404 HLQFBMQNNHKIPT-UHFFFAOYSA-N 325.452 3.769 0 1 EHAF CCN(CC)CCN(CC)CCNc1ccnc2cc(Cl)ccc12 45393457 RRWMZKVZZSTFFM-UHFFFAOYSA-N 348.922 3.964 0 1 EHAF COC(=O)c1sc2cc(-c3ccc4c(ccn4C)c3)cnc2c1N 66259501 AMXYRXDAOQLSTI-UHFFFAOYSA-N 337.404 3.824 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccn3C)cc2)C[C@H]2CC[C@H]1O2 101501389 YOFKXSATJFBEHG-RWQQGDIJSA-N 325.408 3.516 0 1 EHAF COc1cc(F)c([C@@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 116194926 VJQHZPJDDALUIV-HNNXBMFYSA-N 345.305 3.548 0 1 EHAF CCNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2F)c1 143787130 ZEULTTXWDCGGSX-LLVKDONJSA-N 331.343 3.789 0 1 EHAF Cc1ncsc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1O 299836803 HURRCZBBCJOJFZ-CYBMUJFWSA-N 326.830 3.589 0 1 EHAF CC(C)c1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)cc1 473084927 UVXRGQNZIJPPOS-UHFFFAOYSA-N 347.466 3.906 0 1 EHAF CCc1ccc2nc(Cc3nn(CC)cc3Br)[nH]c2c1 587001514 ZAVYVMFCUIENHC-UHFFFAOYSA-N 333.233 3.695 0 1 EHAF O=C(O)/C=C\C(=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587212446 KBZNQZHUAUCGLQ-KHPPLWFESA-N 344.370 3.580 0 1 EHAF COc1cc(F)c2c(c1)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587385999 HGCVOGJETQLWFT-IBGZPJMESA-N 327.355 3.532 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3c(F)cc(F)cc31)O2 587386056 HRKJHIUTIAEGRS-LJQANCHMSA-N 345.345 3.889 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccccc3C)c1)O2 587392916 XMDYQYCGULTWSP-OAQYLSRUSA-N 347.418 3.952 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(C)cc(OC)cc1OC)[C@@H](C2)C3=O 587444757 UILGQVIKXIQQPF-XOBRGWDASA-N 340.375 3.510 0 1 EHAF CC(C)CCOC(=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521732 JTHDHBDCTMOSDE-HXUWFJFHSA-N 330.424 3.879 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccncc1 587589187 WCFLHYKNHYHIKH-HKUYNNGSSA-N 347.370 3.750 0 1 EHAF CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2c(C)cc(Cl)cc12 587627354 SXOXYAWHTNEGAU-UHFFFAOYSA-N 342.782 3.938 0 1 EHAF CCOC(=O)c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 587781318 SVCDFNKXJWLIOM-TWGQIWQCSA-N 336.391 3.970 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](CO)C2)N1 587827033 MVTKPGFHNQTWIC-GLKRBJQHSA-N 342.252 3.500 0 1 EHAF Cc1csc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587853098 OXXYBAQVNFUCOB-WPPNPWJKSA-N 341.249 3.977 0 1 EHAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 587932223 WBCGQVRHNQGHSW-HXPMCKFVSA-N 340.354 3.854 0 1 EHAF O=C(O)[C@H]1C[C@H]2C[C@H]1[C@@]1(C2)c2ccsc2CCN1Cc1ccco1 962704208 JJFUMJFKNLQVNN-UETVFIHBSA-N 343.448 3.725 0 1 EHAF CC(C)c1nn(C)c2c1[C@@H](c1cccn1Cc1cccs1)NCC2 962915268 HFHBHOZBBQECOY-LJQANCHMSA-N 340.496 3.690 0 1 EHAF Cc1cc([C@]2(C)c3ccsc3CCN2Cc2cccnc2)no1 962999926 SNCCWIWAOOUBNY-SFHVURJKSA-N 325.437 3.761 0 1 EHAF Cc1cccc2[nH]cc([C@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)c12 963027329 NUQMFTZCCLGDFS-ZSEKCTLFSA-N 331.419 3.619 0 1 EHAF O=C1c2cc3ccccc3cc2N=C2N(c3ccccc3)CC[C@@]12O 1772573836 NZBKCMVUNJJAOY-OAQYLSRUSA-N 328.371 3.708 0 1 EHAF Cc1cc(C)n(C(=O)c2cc(-c3ccc(F)cc3F)ccc2O)n1 1857753169 CNOHMAZJYHVSMN-UHFFFAOYSA-N 328.318 3.839 0 1 EHAF Oc1ccc(O)c2c1[C@@H]1O[C@@H]1CC21Oc2cccc3cccc(c23)O1 13398497 FTGOYIFZVJLXLG-DNVCBOLYSA-N 334.327 3.719 0 1 EHAF biogenic CC1(C)C=C(N2CCCC2=O)c2cc(Br)ccc2C1=O 13832169 WPFXNQGNUWFJAJ-UHFFFAOYSA-N 334.213 3.635 0 1 EHAF COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1N(C)C 28520915 XNQAOXKACAZMDY-BQYQJAHWSA-N 343.423 3.957 0 1 EHAF CC(=O)N(c1ccc2[nH]ncc2c1)C1CCN(Cc2ccccc2)CC1 28641429 ORNJYWNEVYQMAV-UHFFFAOYSA-N 348.450 3.580 0 1 EHAF CCOC(=O)c1cc2cc([C@@]3(Cc4ccccc4)CCNC3)ccc2[nH]1 40862249 JIQNPRNQHOWEMG-JOCHJYFZSA-N 348.446 3.818 0 1 EHAF CN(C)CC[C@]1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)N1C 53230031 MMLGMCUJTBWIHA-HXUWFJFHSA-N 342.870 3.815 0 1 EHAF CC[C@@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccccc1 82133575 LTJXSIZVVQNKJC-ZIAGYGMSSA-N 326.444 3.882 0 1 EHAF COC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@]12C 169309949 SZAGBXYCBORFKQ-AMGUTXRSSA-N 334.456 3.581 0 1 EHAF Fc1cccc(-c2c(Cl)cnc3[nH]c([C@H]4CCCNC4)cc23)n1 220184500 UPIXYBWVULYEJI-JTQLQIEISA-N 330.794 3.884 0 1 EHAF CN1C[C@](O)(c2ccc(-c3cccs3)cc2)O[C@@H]2CCCC[C@H]21 261139939 MXIZKFJQVCWRGU-ZHALLVOQSA-N 329.465 3.833 0 1 EHAF CCn1c(NC2CCCC2)nc2c(-c3cccnc3)csc2c1=O 299840937 WYFACFDIJBGSEA-UHFFFAOYSA-N 340.452 3.894 0 1 EHAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 586886351 FKIVRYGNBMVCHN-QLJPJBMISA-N 328.343 3.546 0 1 EHAF COc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587042624 UOHNTSLIPIBRQI-IRXDYDNUSA-N 325.437 3.518 0 1 EHAF COc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1C 587070624 TYHCZAOPDQLFFW-CYBMUJFWSA-N 329.831 3.818 0 1 EHAF COc1cncc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 587120235 DOKNDDBBJZMQKT-UHFFFAOYSA-N 333.273 3.529 0 1 EHAF Oc1ncnc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 587124218 JNYAZRJCCZSTMR-UTCJRWHESA-N 338.314 3.841 0 1 EHAF Nc1ncccc1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587254356 RVTLTQUMYIFJTN-UHFFFAOYSA-N 330.391 3.710 0 1 EHAF Cc1ccc(/C(=C\N(C)C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587388152 WZXWLZYGRNDDOU-KZFLWGQDSA-N 336.435 3.822 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1C1CCCCC1)[C@@H](C2)C3=O 587440827 QUKZQDRSQCRCDH-VBKZILBWSA-N 338.407 3.955 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnccc1N(C)C)CC2=O 587469768 PHEBDIPGOMUFMH-GOSISDBHSA-N 326.396 3.512 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C=O)cc(C=O)c1)CC2=O 587485422 VETNYNFLFSHLPU-LJQANCHMSA-N 338.359 3.676 0 1 EHAF C[C@]1(Cc2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588951 VPYOHEJQGBOFKT-GHTZIAJQSA-N 347.370 3.750 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ncccc32)N1 587778628 NMTNYOFMGINWAH-QGHHPUGFSA-N 347.231 3.707 0 1 EHAF CCOCCOCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587779222 WCVYKTMLGLYUDB-UHFFFAOYSA-N 338.713 3.668 0 1 EHAF COc1ccc(C[C@H](C)c2nc3cncc(Cl)c3[nH]2)cc1OC 587925229 CZIXRXCVFSSLAY-JTQLQIEISA-N 331.803 3.975 0 1 EHAF Cc1cc2c(cc1F)[C@](c1ccccc1CO)(C(F)(F)F)NCC2 962087498 FJDWGKHYSOWCDC-QGZVFWFLSA-N 339.332 3.578 0 1 EHAF Fc1ccc2[nH]nc([C@H]3c4c(F)cccc4C[C@H]4CCCN43)c2c1 963115628 VWLWXDHGGSOEAF-BFUOFWGJSA-N 325.362 3.951 0 1 EHAF Nc1nc(NCCc2ccccc2)nc2sc(-c3ccco3)nc12 1772597205 UNFCWBZGDOODJH-UHFFFAOYSA-N 337.408 3.583 0 1 EHAF Sc1nnc(Cn2c(C3CC3)nc3cc(Cl)c(Cl)cc32)o1 1772642885 NPYCHOYFDQZMQU-UHFFFAOYSA-N 341.223 3.941 0 1 EHAF CCOc1ccccc1CNC(=O)c1cc2sc(C)cc2n1C 6804732 LWUAPOYGYVRFPI-UHFFFAOYSA-N 328.437 3.877 0 1 EHAF CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1 14975634 QTQBWKGZTBCDEM-UHFFFAOYSA-N 337.832 3.779 0 1 EHAF Fc1ccc(-c2cncc(CN3CCN(c4ccccn4)CC3)c2)cc1 26148591 WCHWFNCOZFCZSO-UHFFFAOYSA-N 348.425 3.605 0 1 EHAF CCN(CC)CC[C@@H]1COC(c2ccccc2)(c2ccccc2)C1=O 26724562 WEXCAOVXRGYBPP-GOSISDBHSA-N 337.463 3.878 0 1 EHAF O=C(O)[C@@H]1Cc2cc([C@H](O)c3cccs3)c(Cl)c(Cl)c2O1 27991092 IOSWZADOXNEVNX-UFBFGSQYSA-N 345.203 3.525 0 1 EHAF O=c1c2c3c(sc2nc2sc(-c4ccccc4)nn12)CCCC3 28814840 ZWEIAEUPLZREAO-UHFFFAOYSA-N 339.445 3.912 0 1 EHAF COC(=O)/C(=C/C(=C\c1cccc2ccccc12)[N+](=O)[O-])SC 29038135 VLMKZNBQNUZLNC-DECHVDIESA-N 329.377 3.877 0 1 EHAF Cc1ccc2c(C(=O)O)c(O)c(-c3ccc(C(=O)O)cc3)nc2c1C 35086969 GHXDEHKYPRQOMP-UHFFFAOYSA-N 337.331 3.621 0 1 EHAF CNCc1cc(C(N)=O)ccc1Oc1ccc(Cl)c(Cl)c1 40379958 SVWCQZXWJWYSJD-UHFFFAOYSA-N 325.195 3.604 0 1 EHAF Cc1[nH]ncc1-c1ccc2nc([C@H]3COc4ccccc4C3)[nH]c2c1 40846202 OFHDLGOCCWHMKV-OAHLLOKOSA-N 330.391 3.980 0 1 EHAF FC(F)(F)c1ccc2nc([C@@H]3CCN(C4CCOCC4)C3)[nH]c2c1 51076748 KVWJTRORNYPPEJ-LLVKDONJSA-N 339.361 3.550 0 1 EHAF biogenic Fc1cccc(-c2nc(CN3CCC(N4CCCC4)CC3)co2)c1 51925601 SDGZSMVZVRKDBG-UHFFFAOYSA-N 329.419 3.541 0 1 EHAF Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1N[C@H](C)c1ccc(F)cc1 82203678 PLFONFJLYFMTGI-QLFBSQMISA-N 344.434 3.711 0 1 EHAF NCc1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 95582831 LMLAEEGHIFQWKP-UHFFFAOYSA-N 330.431 3.671 0 1 EHAF OC12CCC(c3nnc4c(Oc5ccccc5F)cccn34)(CC1)C2 98207960 WEOITARZWXYXSX-UHFFFAOYSA-N 339.370 3.607 0 1 EHAF in-vitro Cc1noc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)n1 144769817 SQYMIZSBDGJMHO-INIZCTEOSA-N 332.281 3.824 0 1 EHAF COc1ccc(CNC(=O)/C=C/c2c[nH]c3ccccc23)c(OC)c1 169350810 GYZUMZXKAKYVTO-CSKARUKUSA-N 336.391 3.515 0 1 EHAF Nc1cnc(-c2ccc(-c3cccnc3OC3CCC3)cc2F)cn1 224777246 YRKNZFGPIQGWCT-UHFFFAOYSA-N 336.370 3.858 0 1 EHAF CC1(C)CCC[C@@]2(C)[C@H]1CC=C(CO)[C@]21CC[C@@](C)(CC(=O)O)O1 238759448 RBVRYDWTKMWSNY-MVJPYGJCSA-N 336.472 3.924 0 1 EHAF CCCCCOc1cc2nc(C[C@@H](C)O)[nH]c2cc1Br 586889218 JZBFSEGJVSSDEW-SNVBAGLBSA-N 341.249 3.818 0 1 EHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)c(C)cc2[nH]1 586964326 XZTIVNIHOSDHGL-CQSZACIVSA-N 344.440 3.927 0 1 EHAF Cc1nc(C)c(Cc2nc3cc(Br)c(C)nc3[nH]2)s1 587011285 FOZZTEMMDCOXMV-UHFFFAOYSA-N 337.246 3.693 0 1 EHAF Cc1cc(C)c2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc2c1 587034236 FLDIRDHZVPBZNT-UHFFFAOYSA-N 325.437 3.660 0 1 EHAF Clc1ccnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 587039142 CNKOOKUPIDYEDZ-CHWSQXEVSA-N 330.844 3.558 0 1 EHAF Fc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1F 587040165 GFBKAYVHTYJORC-ZIAGYGMSSA-N 331.391 3.787 0 1 EHAF CC[C@@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587155027 IKKKDPCRWQRIPB-CQSZACIVSA-N 341.342 3.563 0 1 EHAF Fc1cccc(Cn2nnc(-c3nc4ccccc4[nH]3)c2Cl)c1 587160306 AMRPMTFCZRAOJM-UHFFFAOYSA-N 327.750 3.662 0 1 EHAF Fc1ccc2[nH]cc(Cc3nc4ccnc(Br)c4[nH]3)c2c1 587173870 ABMXZQJTRMKBRQ-UHFFFAOYSA-N 345.175 3.932 0 1 EHAF Oc1nc(O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)nc2n1 587367940 BZUAOJFXMULUPK-UHFFFAOYSA-N 341.676 3.775 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4cc(Cl)ncc14)[C@@H](C2)C3=O 587420903 MWTAWBQLNPZRDD-YPMLDQLKSA-N 340.766 3.714 0 1 EHAF COc1cc2c3c(c1)O[C@](c1ccccn1)(C1CCCC1)[C@@H](C2)C3=O 587436919 VHULNXAGQHUOJZ-HRAATJIYSA-N 335.403 3.923 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1Cl)CC2=O 587463387 YLKZOEWFSNTXSP-CQSZACIVSA-N 334.803 3.747 0 1 EHAF N=c1[nH]c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2o1 587507338 CCEUOPHOZFJXFH-QGZVFWFLSA-N 334.375 3.826 0 1 EHAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587586492 INZWFLTXRXQSOA-RXVVDRJESA-N 347.370 3.973 0 1 EHAF COC(C)(C)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595448 OACDNPITNLMGDB-UZLBHIALSA-N 342.391 3.928 0 1 EHAF CC[C@H](Cc1ccc(C(=O)NCc2ccccc2Cl)cc1)C(=O)O 653793228 LVAXENRMEXDZKF-CQSZACIVSA-N 345.826 3.923 0 1 EHAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1c2ccc(C)c1C 962939988 CQFKRWOYPZVSHR-PEBXRYMYSA-N 345.446 3.905 0 1 EHAF CN1CCc2c(Br)cccc2[C@@H]1c1ccccc1C(=O)O 963279258 FJCOITFAVVSABX-MRXNPFEDSA-N 346.224 3.725 0 1 EHAF c1nc(N2CCCCCC2)ncc1CNC12CC3CC(CC(C3)C1)C2 1857655676 KPMWKTINIJMWKK-UHFFFAOYSA-N 340.515 3.915 0 1 EHAF CC1=CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CCC(=CCO)CO 2356384284 NVNBXFPYJOINAR-QGZVKYPTSA-N 336.472 3.541 0 1 EHAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C 2356671851 OFBXXYNZIIKOOC-DDKLBDGZSA-N 334.500 3.568 0 1 EHAF CCOc1ccc2cc(-c3nn(C(C)(C)C)cc3C(N)=O)ccc2c1 103251503 MCKFAQNBWBWWAZ-UHFFFAOYSA-N 337.423 3.956 0 1 EHAF CCO[C@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccccc1 103173634 NKZGYYSYXMMGDV-KRWDZBQOSA-N 336.420 3.666 0 1 EHAF Nc1ccc(Nc2ccc3c(c2)OCc2ccccc2C3=O)c(N)c1 28604521 AOXYDDZYGQVAAT-UHFFFAOYSA-N 331.375 3.718 0 1 EHAF CC[C@@](O)(c1ccc(-c2cccc(NC(C)=O)c2)cc1)c1c[nH]cn1 59972030 LSNINMQJLNWRJL-HXUWFJFHSA-N 335.407 3.681 0 1 EHAF Cc1cc(C)nc(Nc2nc([C@H](N)Cc3ccccc3)cs2)n1 61930862 AYLJSCLIAYRGAF-CQSZACIVSA-N 325.441 3.536 0 3 EHAF Cc1cc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)cc(C)n1 26505444 ORPOHNQAIFZPET-UHFFFAOYSA-N 334.375 3.713 0 1 EHAF Cc1c([C@H](C)c2c(F)cccc2F)nc(N2CCCCCC2)[nH]c1=O 28866758 PRPZOZFRKPGSLL-GFCCVEGCSA-N 347.409 3.889 0 1 EHAF CC1=C[C@H](CNC2=CC=C[CH]N2)[C@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356841632 XCGMDJFNBVUVFK-KURKYZTESA-N 341.479 3.527 0 1 EHAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 13597402 JSGVCWDJNUVILL-YUDLKVPISA-N 348.458 3.786 0 1 EHAF biogenic COC(=O)C(=O)[C@H]1c2ccccc2N2C=Cc3c([nH]c4ccccc34)[C@@H]12 82047420 WXVOLCRPHBGZEC-PKOBYXMFSA-N 344.370 3.539 0 1 EHAF Cc1[nH]ncc1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12 138228525 RXYDZYVRIYGZGO-UHFFFAOYSA-N 338.321 3.745 0 1 EHAF COc1ccccc1-c1nnc2ccc(-c3c[nH]c4ccccc34)nn12 82060508 OQHQJPVSQBTBLI-UHFFFAOYSA-N 341.374 3.948 0 1 EHAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1 586883024 FIUZHRWHJWCKKM-UHFFFAOYSA-N 326.421 3.901 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)nc2)N1 587739244 UVTBKKLZZNLAFU-ANRSDYALSA-N 339.183 3.746 0 1 EHAF CCC[C@@]1([C@H](C)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587523641 LOIIANVKKJPSMI-XCLFUZPHSA-N 330.424 3.879 0 1 EHAF Cc1c(Cl)ccc2[nH]c(-c3cccnc3SCC(=O)O)nc12 586967435 XHCIIQJJOJKSCA-UHFFFAOYSA-N 333.800 3.763 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4cnn(C)c4)c1)[C@@H](C2)C3=O 587431715 LWFCEDRCMAAHMQ-LAUBAEHRSA-N 346.386 3.584 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC2CCOCC2)N1 587834241 KJHYRSDJTRYKCD-QFYYESIMSA-N 342.252 3.980 0 1 EHAF C[C@H]1C[C@H](C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587823143 OLPKHIOJWGLAHI-DGIRIXITSA-N 340.236 3.563 0 1 EHAF COc1cc(-c2ccc[nH]2)[nH]c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587397062 RKNWOGOLTRUVLU-QGZVFWFLSA-N 337.379 3.616 0 1 EHAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccnc(Cl)c2[nH]1 587108963 JVCGDKYFNNDVAL-UHFFFAOYSA-N 341.676 3.995 0 1 EHAF Ic1cccc(/C=C\c2nc3cnccc3[nH]2)c1 587184747 VKZOMDYCRFWRRE-PLNGDYQASA-N 347.159 3.733 0 1 EHAF CCOC1=C[C@@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596360 NYJQOYJSCFYJGO-YLJYHZDGSA-N 338.359 3.807 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)nc1)O2 587397510 BITGPSOAVGQRJF-GOSISDBHSA-N 337.423 3.669 0 1 EHAF C[C@]1(C2CCCC2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962625487 COLYYVDPGSDADN-MLGOLLRUSA-N 343.345 3.590 0 1 EHAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cnc(Cl)cc1C 963634083 IYNWNVFCRCVKID-VOJFVSQTSA-N 332.831 3.684 0 1 EHAF COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@]12Cc1c(C)cccc1C2=O 5537996 DASKQNHFZMISBD-LAUBAEHRSA-N 348.402 3.817 0 1 EHAF CCCc1cc(C(=O)OC)cc(C)c1O[C@H](C(=O)O)c1ccccc1 13539266 LGERMXPSARQTDD-SFHVURJKSA-N 342.391 3.939 0 1 EHAF COc1ccc2cc(-c3[nH]ncc3CNC[C@H]3CCCO3)ccc2c1 13636630 JNMIPFFPIJQTPF-LJQANCHMSA-N 337.423 3.507 0 3 EHAF CCn1c(=O)n(CC)c2cc(-c3[nH]ncc3-c3ccccc3)ccc21 14958557 VBNOPAIDMGTBSH-UHFFFAOYSA-N 332.407 3.900 0 1 EHAF CC(C)[C@H](CC1CCCCC1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1 1857644274 MJZYLOZSZJXEHY-PMACEKPBSA-N 344.499 3.518 0 1 EHAF CSc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1 117723769 AKFINJOPCYZMGH-CQSZACIVSA-N 327.453 3.523 0 1 EHAF CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 214794 FXVOAYCWENHZHU-IAGOWNOFSA-N 342.464 3.527 0 1 EHAF Cc1cccc(N2CCC[C@@H]2CNC(=O)Nc2ccc(F)cc2)c1 3988347 AFSPKFUYYYKPTB-GOSISDBHSA-N 327.403 3.925 0 1 EHAF Cc1nn(C(=O)CCC(=O)NCCC2=CCCCC2)c2ccccc12 6768707 MCYYRSQFJOHREA-UHFFFAOYSA-N 339.439 3.772 0 1 EHAF CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C2CCSCC2)C1 12030949 WJPSIKKYKVFPKB-FQEVSTJZSA-N 347.524 3.770 0 1 EHAF CNCCc1ccc(OC)c2c1C=Cc1cc(OC)c(OC)cc1O2 14693750 WNBUTZHPPULVTP-UHFFFAOYSA-N 341.407 3.750 0 1 EHAF biogenic COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(C)cc1 28121468 ASIGZZOVSCNZDW-UHFFFAOYSA-N 337.375 3.582 0 1 EHAF c1ccc(-c2ccccc2CN(C2CCOCC2)[C@H]2CCNC2)cc1 28948831 KAVHHDMCLXFYPS-NRFANRHFSA-N 336.479 3.697 0 1 EHAF CO[C@H]1Cc2sccc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 40949728 HMUZHWZEQUYOQA-GOSISDBHSA-N 347.455 3.924 0 1 EHAF CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1F 66066266 ZUWCDFFJCAABHM-UHFFFAOYSA-N 335.404 3.909 0 1 EHAF COc1cc2c(cc1OC)[C@H]1C[C@@H](O)[C@H](CC3CCCC3)CN1CC2 71332202 XALFRGKXCLWMIA-BHIYHBOVSA-N 345.483 3.564 0 1 EHAF CCCCCc1cn(CC/C(C)=C/CSCCC(=O)O)nn1 84669668 JWQHMZXDHSQJKW-RIYZIHGNSA-N 325.478 3.555 0 1 EHAF COc1cc(-c2nnc(SCc3ccc(F)cc3)o2)ccc1O 84689729 XIRHNVCXGVKJFJ-UHFFFAOYSA-N 332.356 3.882 0 1 EHAF COc1oc(=O)c2cc(NC(=O)OC(C)(C)C)ccc2c1Cl 95588785 SLEMILHQGCACNS-UHFFFAOYSA-N 325.748 3.802 0 1 EHAF COc1ccc(CC[C@H]2C[C@@H](CCc3ccc(OC)cc3)N2)cc1 96285968 YJGDVNRZQMMOTC-KDURUIRLSA-N 325.452 4.000 0 1 EHAF Cc1ccc(NC(=S)c2c3n(c(=O)c4ccccc24)CCN3)cc1 101547868 INZFIPMMHIVDNB-UHFFFAOYSA-N 335.432 3.523 0 1 EHAF CC[C@]1(C(=O)NCCc2cnc(Cl)s2)[C@H](C)C1(Cl)Cl 103296427 BQRCCTFLOJUJJL-WRWORJQWSA-N 341.691 3.675 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccoc3)cc2)C[C@H]2CC[C@H]1N2C 253638310 KAVKUIYDILEQNP-MKXGPGLRSA-N 325.408 3.686 0 1 EHAF Fc1ccccc1Oc1nc2nonc2nc1Oc1ccccc1F 473154894 MIDXDKCBJNBWTO-UHFFFAOYSA-N 342.261 3.876 0 1 EHAF Oc1ccc(C2(c3nc4ccc(Br)c(O)c4[nH]3)CC2)cc1 586896088 JODIQSXSCBVZJU-UHFFFAOYSA-N 345.196 3.817 0 1 EHAF Oc1ccccc1C1(c2nc3ccnc(Br)c3[nH]2)CC1 586897222 VPVMGPDAQWWAMQ-UHFFFAOYSA-N 330.185 3.506 0 1 EHAF Fc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085485 WFPCFQMHOUVQRQ-UHFFFAOYSA-N 331.782 3.529 0 1 EHAF O=C(O)c1cccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 587134400 KZECYVJTLSANQZ-UHFFFAOYSA-N 342.273 3.773 0 1 EHAF Cc1cc2nc(-c3cccc(NC(N)=O)c3)[nH]c2cc1Br 587241372 BKDNKMOEFMYIMF-UHFFFAOYSA-N 345.200 3.791 0 1 EHAF COC(=O)Nc1ccc(-c2nc3cccc(Br)c3[nH]2)cn1 587245196 PUHGBHDFMBNVMZ-UHFFFAOYSA-N 347.172 3.566 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)nc1C)O2 587373194 RVGSKLYKNNEPCG-CQSZACIVSA-N 347.212 3.750 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1-n1cccn1)O2 587386630 VQDNJIIHSNUBPH-GOSISDBHSA-N 337.354 3.609 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1ccccc1)O2 587390459 HPYRZJSIJNPORG-GOSISDBHSA-N 333.391 3.684 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Cn3cccn3)c1)O2 587392305 SLQRUUIVGWWUOA-LJQANCHMSA-N 333.391 3.529 0 1 EHAF COc1cc2c3c(c1)O[C@]([C@@H](C)O)(C1(C)CCCCC1)[C@@H](C2)C3=O 587450462 MAJJYUHXWXCYII-RAJNIJHNSA-N 330.424 3.533 0 1 EHAF CCOC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1 587526525 PYWKUNBRONKECM-SFHVURJKSA-N 339.391 3.777 0 1 EHAF Cc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587528302 YUIZNGFXYBEAOK-OAQYLSRUSA-N 333.387 3.687 0 1 EHAF O=Cc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601804 HTMDQHOIEOOUNG-RXVVDRJESA-N 346.338 3.908 0 1 EHAF O=C(O)Cc1ccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 587960356 AVAYDXZIIQJCQW-UHFFFAOYSA-N 334.297 3.800 0 1 EHAF Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4Cl)cc3n2)o1 653841625 BPQMICPWRXHIJI-UHFFFAOYSA-N 339.786 3.679 0 1 EHAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CCCC23CCC3)N1 962972248 IEHXTICNFWRHPX-SJKOYZFVSA-N 341.785 3.767 0 1 EHAF CC1(C)[C@@H](c2ccc(F)cc2)[C@H]1C(=O)NCC1CCC(C(=O)O)CC1 1857771655 GBWVWDFLDLELOX-KNHPQMQCSA-N 347.430 3.573 0 1 EHAF Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cnn(C(C)C)c2)C1 13594532 LYKFSUAMJRHABL-INIZCTEOSA-N 331.485 3.929 0 3 EHAF O=C(NCc1ccco1)c1cc2c(=O)oc3ccccc3c2s1 2461380 HEIDSRSBTBUQSI-UHFFFAOYSA-N 325.345 3.531 0 1 EHAF Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NC(C)(C)C)cc1 4852264 KHGJYEQVNHQQER-FOWTUZBSSA-N 342.464 3.742 0 1 EHAF CCOC(=O)O[C@@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 26576226 BHZJKRIOQCCBIL-MRXNPFEDSA-N 326.352 3.674 0 1 EHAF COc1ccc2nc(-c3n[nH]cc3/C=C/c3cnccc3C)[nH]c2c1 28896747 WZMDQWFGHYPLKD-ONEGZZNKSA-N 331.379 3.835 0 1 EHAF C[C@@]1(c2cccc(O)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O 28978473 MUALJDCOWOWPTA-INIZCTEOSA-N 336.174 3.792 0 1 EHAF Cc1nc(N2CCC(CCN3CCCC3)CC2)c2ccsc2n1 55281458 CKFMCNNPGCCTLF-UHFFFAOYSA-N 330.501 3.702 0 1 EHAF C[C@@H](C(=O)N(C)C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27556584 DVZKXLYXWWQKDT-YUELXQCFSA-N 331.481 3.973 0 1 EHAF O=C1NCc2c1c1c(c3[nH]c4ccc(Br)cc4c23)CCC1 28570054 MTXNXKQCBDSKIE-UHFFFAOYSA-N 341.208 3.816 0 1 EHAF NCCCN(C/C=C/c1ccccc1)C(=O)Cc1c[nH]c2ccccc12 28825824 BULJTYRRPRXFMJ-UXBLZVDNSA-N 347.462 3.601 0 1 EHAF COC(=O)c1cccc2c1C(O)=C1c3[nH]c4ccccc4c3CCN1C2 2356827161 HNVDMHUNJCDCHS-UHFFFAOYSA-N 346.386 3.710 0 1 EHAF O=c1c2ccccc2nc2sc(Nc3ccc4c(c3)CCC4)nn12 36381053 CAOMIHGCWCAPLX-UHFFFAOYSA-N 334.404 3.537 0 1 EHAF Clc1ccc(Oc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 72111456 HITXDHYFOATDFG-UHFFFAOYSA-N 330.727 3.954 0 1 EHAF Nc1ccccc1CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 82086249 JFQDOZDJIDROGF-UHFFFAOYSA-N 343.839 3.976 0 1 EHAF C/C=C(/C)C(=O)O[C@H]1C/C(C)=C/CC/C(C)=C/[C@@H]2O[C@H](O)[C@@H](C)[C@@H]21 238759194 STIMKRWEFJAFHV-RALRVMOGSA-N 334.456 3.910 0 1 EHAF COc1cccc(/C=C/c2nnc(-c3ccc4c(c3)OCCO4)o2)c1 96909852 URSFTESQYYULCA-VMPITWQZSA-N 336.347 3.687 0 1 EHAF COC(=O)c1c(-c2ccc(N(C)C)cc2)oc2c1[C@@H](OC)CCC2 95566680 ATGQGRZEFNUFOL-AWEZNQCLSA-N 329.396 3.823 0 3 EHAF O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(-c3ccco3)ccc21 377836362 RCNKCHGLJDAAOY-UHFFFAOYSA-N 335.368 3.719 0 1 EHAF C=CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1CC2 473126753 UMQXQPJRDARBTL-UIFIKXQLSA-N 342.435 3.961 0 1 EHAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCO4)n1 587079584 LHXBXMRQGOPCMD-VIFPVBQESA-N 332.791 3.822 0 1 EHAF CCc1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586996517 GSZZOLIAUFEKKN-OAHLLOKOSA-N 331.213 3.970 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(CCC)n1)CC2=O 587476191 QESYQEWUWNQSCC-SFHVURJKSA-N 328.412 3.966 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccn1 587567770 CBBSIPJGEDZZAC-LPHOPBHVSA-N 337.306 3.629 0 1 EHAF CO[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600282 NPRRBEPDILFIPH-ASUYLVSUSA-N 340.375 3.682 0 1 EHAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587148474 AQYBBXXFGUQGFF-SNVBAGLBSA-N 345.349 3.683 0 1 EHAF COc1cc2c3c(c1)O[C@]1(CCOc4ccc(C)c(C)c41)[C@@H](C2)C3=O 587454385 SZZOMHOSXNBLFZ-YCRPNKLZSA-N 336.387 3.737 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC)([C@H](C(=O)OC)C(C)C)CC2=O 587479989 MSRSPQMYVPQHHY-PXNSSMCTSA-N 348.439 3.904 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-n3ccnc3)cs1)O2 587410107 KYZPIFGGAXFDDD-OAHLLOKOSA-N 325.393 3.531 0 1 EHAF COC(=O)c1csc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587535102 IGHQUDNFCXDFBC-OAHLLOKOSA-N 343.404 3.515 0 1 EHAF COc1cc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2cc1Cl 586905960 GXMNWICIXONXAY-ZSOIEALJSA-N 326.739 3.893 0 1 EHAF O=C(CCCc1cccs1)n1ncc2ccc(Cl)cc2c1=O 587653805 LJXMWYSUKZULSK-UHFFFAOYSA-N 332.812 3.775 0 1 EHAF NC(=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052452 AMBUUISIKFHKQS-UHFFFAOYSA-N 336.782 3.773 0 1 EHAF O=C(CNc1ccc(F)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874017 SHHBZSAROPTEKJ-UHFFFAOYSA-N 327.290 3.686 0 1 EHAF CC(C)c1cc(-c2nc3c(O)nc(S)nc3[nH]2)c(O)c(C(C)C)c1 586896866 SEJMMZNJHQXAFU-UHFFFAOYSA-N 344.440 3.967 0 1 EHAF CC(C)(SCC(=O)O)c1nc2cc(F)cc(Br)c2[nH]1 586959292 LMMHSPLXPMTWQU-UHFFFAOYSA-N 347.209 3.517 0 1 EHAF Fc1cc2nc(-c3ccc(F)c(Br)n3)[nH]c2cc1F 587156157 WZLMVOJXYVBUSH-UHFFFAOYSA-N 328.091 3.805 0 1 EHAF C[C@]1(c2cnc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587499023 KIVRFPXWZZQBCL-GOSISDBHSA-N 328.799 3.889 0 1 EHAF Cc1cc2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2c(C)n1 587148349 IHUJDYOIIPSMJG-UHFFFAOYSA-N 339.349 3.920 0 1 EHAF OCc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587229312 FAKQARIENCKXHF-UHFFFAOYSA-N 330.391 3.729 0 1 EHAF CCc1ccc(-c2nc3cc(N)c(N)cc3[nH]2)cc1Br 586977263 KDMGNNYPDOKYKE-UHFFFAOYSA-N 331.217 3.719 0 1 EHAF Cc1nccc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 587003040 JHXULVVYHFSZEL-UHFFFAOYSA-N 328.173 3.572 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C)O2 587401976 ULDJIGYEDDVIOC-BZUAXINKSA-N 345.439 3.525 0 1 EHAF Cc1ccc(C2=Nc3c(N)nc(N)nc3N[C@@H](c3ccccc3)C2)cc1 5504020 JMNFCUSKFATQJW-MRXNPFEDSA-N 344.422 3.627 0 1 EHAF CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5cc(OC)c(OC)cc5c4CCN(C2)[C@@H]13 5599404 VLOWUTVRYMTRJO-HHNICDRHSA-N 340.467 3.945 0 1 EHAF Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC1CCOCC1 11768441 ASNXQONHLGRAKS-GOSISDBHSA-N 339.483 3.963 0 1 EHAF CC[C@H]1C(c2ccc3nc(-c4ccccc4)oc3c2)=NNC(=O)[C@H]1C 168925710 PRARBWHVMNLUNN-SWLSCSKDSA-N 333.391 3.991 0 1 EHAF C[C@@H](COc1ccccc1)Oc1ccn(-c2ccc(F)cc2)c(=O)c1 1857611356 QYCHJZCVLWVFSZ-HNNXBMFYSA-N 339.366 3.823 0 1 EHAF COc1ccc([C@H]2C(=O)c3cccn3-c3ccccc3[S@]2=O)cc1 13739851 WQMAAXKMWKSSCM-CYFREDJKSA-N 337.400 3.531 0 1 EHAF COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)CCC2)cc1 13744712 IHLPKCMECPZSEW-UHFFFAOYSA-N 328.799 3.989 0 1 EHAF S=C(Cc1nc(-c2cccc(Cl)c2)cs1)N1CCOCC1 16940176 XNEMGTOZUIDSDK-UHFFFAOYSA-N 338.885 3.666 0 1 EHAF CN(C)C1CN([C@@H]2c3ccccc3CCc3ccc(Cl)cc32)C1 19368340 JULUTFWMVADLBK-HXUWFJFHSA-N 326.871 3.774 0 1 EHAF CC1=C(C(=O)Nc2c(C)cc(C)cc2C)SC2=NC(C)(C)CN21 27713863 UFPOSOBEAXZYGG-UHFFFAOYSA-N 329.469 3.979 0 1 EHAF COC(=O)[C@H]1[C@@H](c2ccc(-c3nccs3)cc2)C[C@@H]2CC[C@H]1N2C 28565877 XUJAZHYZOMZFOS-HZMVEIRTSA-N 342.464 3.549 0 1 EHAF N[C@@H](CCSCc1ccc(Cl)c(Cl)c1Cl)C(=O)O 28570307 FTFTWVIFFSIXMK-QMMMGPOBSA-N 328.648 3.682 0 1 EHAF O=C(Nc1ccncc1)C(=O)c1cn(-c2ccccc2)c2ccccc12 45348368 SGWQZGXDEKWXNT-UHFFFAOYSA-N 341.370 3.847 0 1 EHAF Cc1ccnc(C(=O)c2[nH]c3cc(Cl)c(F)cc3c2CC(=O)O)c1 73198368 XXXVGINRZSHYHM-UHFFFAOYSA-N 346.745 3.522 0 1 EHAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccccc3)C2)cc1 73297902 OQVSAKUFJLVWSE-QGZVFWFLSA-N 335.432 3.776 0 1 EHAF CC1=C(/C=C/C(C)=C\CNC(=O)/C=C2/CC(=O)N2)C(C)(C)CCC1 103287357 XVQBUQSKYPSSRR-PXRTVTSMSA-N 328.456 3.536 0 1 EHAF O=[S@@](C[C@]12N[C@@H](Cc3ccccc31)c1ccccc12)c1ccccc1 142717970 HTVFYUVEJALYGO-WRALFONMSA-N 345.467 3.938 0 1 EHAF OCCCCCc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1 473135660 RFJSAPHKUYDIBR-UHFFFAOYSA-N 348.406 3.985 0 1 EHAF Fc1cnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 587077275 UMLAYMUGJKLVRZ-UHFFFAOYSA-N 343.749 3.586 0 1 EHAF 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CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)cc1N)CC2=O 587465510 DUITWZCDZIUMAW-LJQANCHMSA-N 329.371 3.947 0 1 EHAF C[C@@]1(Cc2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586643 KXKGDCPJBHILCW-RXVVDRJESA-N 347.370 3.750 0 1 EHAF COc1cc2c(cc1OC)[C@](C)(c1cncc(Cl)c1)N(C)[C@@H](C)C2 962572928 RAINXPBPZSBJLS-BUXKBTBVSA-N 346.858 3.892 0 1 EHAF CC[C@H]1CN2CCc3c([nH]c4ccccc34)CC[C@@H](C2)[C@H]1OC(C)=O 2356643070 GCQPLKWVHAQSRW-QYWGDWMGSA-N 340.467 3.546 0 1 EHAF COc1cccc(NC(=O)n2nc(N)cc2-c2ccc(Cl)cc2)c1 4908553 XHHXTCSRECRYGN-UHFFFAOYSA-N 342.786 3.875 0 3 EHAF aggregator CCN1CC[C@](O)(c2ccc(C)cc2)[C@@H](C(=O)c2ccc(C)cc2)C1 1632205 ADTJYHHPIOXMGN-IRLDBZIGSA-N 337.463 3.716 0 1 EHAF C[C@@H](Cc1c[nH]c2c(O)cccc12)NC[C@H](O)c1cccc(Cl)c1 13488831 SAKZWBFZCQWUSG-SGTLLEGYSA-N 344.842 3.781 0 1 EHAF COc1ccc2c(c1)c(CCNC(C)=O)c1n2CCc2ccccc2-1 13494152 YJUIMSHUKZPSNN-UHFFFAOYSA-N 334.419 3.552 0 1 EHAF CC(C)(C)c1cc(/C=C2\CCNS2(=O)=O)cc(C(C)(C)C)c1O 13558266 RLUKXSOYOBRCTH-UKTHLTGXSA-N 337.485 3.651 0 1 EHAF C[C@H](Cc1ccc2c(c1)OCO2)[C@@H](C)[C@@H](O)c1ccc2c(c1)OCO2 14646569 SDXLCXZRXWWAGW-VFGMZZLHSA-N 342.391 3.692 0 1 EHAF endogenous,in-man Cc1c(C(C)C)c(=O)on1C(=O)N1CCC(c2ccccc2)CC1 26846901 NDOWCBOAEQSCSF-UHFFFAOYSA-N 328.412 3.721 0 1 EHAF CC(C)(O)c1cc(O)c2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@@]21C 36375262 QJCUMAOQTYWJKR-CDHQVMDDSA-N 332.440 3.715 0 1 EHAF Cc1cc(-c2ccc(F)cc2)c(/C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(C)n1 36761404 ANOPSFFNQJWFSF-PMKBXARWSA-N 341.382 3.584 0 1 EHAF CN1CCCc2ccc(NC(=O)c3ccc(-c4cncnc4)cc3)cc21 40575322 HWTOOLLPRBEEGL-UHFFFAOYSA-N 344.418 3.778 0 1 EHAF COc1ccc2occ(CSC(=S)N3CCCCC3)c(=O)c2c1 42892343 MZXINDIDNMODPU-UHFFFAOYSA-N 349.477 3.806 0 1 EHAF O=C1NC(=O)/C(=C/c2ccc(OCCc3ccsc3)cc2)S1 45394314 XVYIQOHTXZLGNM-ZROIWOOFSA-N 331.418 3.694 0 1 EHAF Nc1nc2cc3c(cc2s1)CCN(Cc1cccc(F)c1)CC3 95582489 JGVMWDMAURDGRG-UHFFFAOYSA-N 327.428 3.618 0 1 EHAF Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1 96905576 VQQSHXDVKOUEBL-UHFFFAOYSA-N 338.432 3.926 0 1 EHAF Cc1ncc2sc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)nn12 210697593 SAVNWXMDAMFANR-ZDUSSCGKSA-N 346.843 3.730 0 1 EHAF in-vitro Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1COc2ncsc21 220866666 ONIPPEGMWCCDHQ-SNVBAGLBSA-N 343.235 3.551 0 1 EHAF Oc1ccccc1C1(c2nc3c(F)cnc(Br)c3[nH]2)CC1 586896388 DCNVCXKDSVLIDD-UHFFFAOYSA-N 348.175 3.645 0 1 EHAF Cc1ccnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 587003363 KEDFHXVVJOZJFI-UHFFFAOYSA-N 328.173 3.572 0 1 EHAF CCOC(=O)Cn1c(C)cc2c1CCc1c-2nc2cccc3c2c1CC3 587211946 ZTNRFATXXKWOSC-UHFFFAOYSA-N 346.430 3.772 0 1 EHAF O=S(=O)(Cc1cc2c3c(cccc3n1)CC2)c1ccc(Cl)cc1 587216456 BTIVZMKLIQZDNE-UHFFFAOYSA-N 343.835 3.961 0 1 EHAF COc1cncc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587247572 POLUYEGJRMGTFR-UHFFFAOYSA-N 344.374 3.886 0 1 EHAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C)c(Cl)cc3[nH]1)C2 587247841 ZRCFEVLRLMUTKC-LJQANCHMSA-N 341.842 3.876 0 1 EHAF CCOC(=O)[C@H]1CC(C)(C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587401729 XLQJVFMKBKEMKB-JLTOFOAXSA-N 345.439 3.671 0 1 EHAF COc1ccc(C[C@@H](C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587403251 LLIHEUQNTQYSNU-BFUOFWGJSA-N 325.408 3.798 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(Cn1cnc(C)c1C)CC2=O 587469483 FNVPFBHYMWDVBB-IBGZPJMESA-N 328.412 3.582 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)cc1OC)CC2=O 587472700 KZSXYFNIFWZKDL-FQEVSTJZSA-N 341.407 3.816 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(C)=O)n1)CC2=O 587486933 NFUOKGITOBBSAI-FQEVSTJZSA-N 339.391 3.823 0 1 EHAF O=C1C[C@H](c2cnn(CC(F)F)c2)Oc2c1ccc1c2CCCC1 587508975 USLZXFUMKIAKBR-MRXNPFEDSA-N 332.350 3.734 0 1 EHAF CC(=O)NC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511212 JMMAFCPYZIPRFK-JOCHJYFZSA-N 349.430 3.562 0 1 EHAF COC[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587792696 MDMSCXXYOCJNRV-MEBBXXQBSA-N 330.241 3.620 0 1 EHAF CCO[C@@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587806407 AKXLILQWLGZPEP-ZWZTZDBGSA-N 328.225 3.517 0 1 EHAF CCC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)COC1 587832041 ATRSMZPXACPKDX-XPTSAGLGSA-N 328.225 3.590 0 1 EHAF 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RFTIRMPAYWBDKJ-IGJXEYRPSA-N 334.500 3.566 0 1 EHAF COC(=O)Nc1nc2cc(Oc3cc(OC)cc(OC)c3)ccc2[nH]1 299826820 FBORVEXUBBGWNG-UHFFFAOYSA-N 343.339 3.551 0 1 EHAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)ncc2[nH]1 586964411 YYQBUVSLSZINKY-SNVBAGLBSA-N 335.820 3.659 0 1 EHAF Clc1cnc2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 587007275 XOESGTSWBABBDD-UHFFFAOYSA-N 348.591 3.689 0 1 EHAF COC(=O)c1ccnc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc12 587096861 CKNRDWDKWHLUBH-UHFFFAOYSA-N 339.248 3.569 0 1 EHAF N=c1ncc(-c2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)c[nH]1 587254541 LYFGRZHJNYDHRV-UHFFFAOYSA-N 339.761 3.892 0 1 EHAF CC(C)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1 587368595 MZAHBFUTRAIVRZ-UHFFFAOYSA-N 329.787 3.955 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3ccc(F)cc31)O2 587384538 LVSYLYMSMLZLRB-IBGZPJMESA-N 327.355 3.750 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Oc3ccc(O)cc31)O2 587413203 QXPRAKRZJATTMZ-HXUWFJFHSA-N 339.391 3.705 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1nccs1)O2 587413867 QKZWINOSXFPUQB-OAHLLOKOSA-N 325.393 3.531 0 1 EHAF COC1=C[C@@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587806402 AHGDZGHKPMMMRM-RFAUZJTJSA-N 326.209 3.642 0 1 EHAF Cn1ccc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962699980 FDOQTASIVAHPCC-BEFAXECRSA-N 330.472 3.791 0 1 EHAF N[C@@H]1Cc2c(Cl)cccc2[C@@]12c1c(F)cccc1C[C@H]1CCCN12 963094300 CJQOQEFRZAYYMB-YHBQJITHSA-N 342.845 3.627 0 1 EHAF O=C(C(F)F)[C@@H]1CCC[C@@]12NCCc1c(Cl)cc(Cl)cc12 963124497 QOMCDYTWLUMDLI-ZUZCIYMTSA-N 334.193 3.969 0 1 EHAF Cc1ccn(-c2ccc(C(=O)N3CCCC(=O)c4ccccc43)cc2)n1 1857644319 CHFBCWUHPUVZJU-UHFFFAOYSA-N 345.402 3.804 0 1 EHAF Fc1ccc([C@@H](Cn2cncn2)OCc2ccccc2F)c(F)c1 1857765580 NPTLXSNVYFMDFH-QGZVFWFLSA-N 333.313 3.654 0 1 EHAF COc1ccc(-c2cn(-c3cccc(Br)c3)c(=O)[nH]2)cc1 426739 HKBDYKOBBZWCNM-UHFFFAOYSA-N 345.196 3.604 0 1 EHAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3cccc(O)c3CC[C@H]21 117625658 YSGRGDDXHXDDQL-HNAYVOBHSA-N 347.418 3.603 0 1 EHAF C[C@]1([C@H]2CO2)C[C@@H]2O[C@]23[C@H](CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]23C)C1 27645620 BAVAPCQGJJCZCO-SNXQWVFBSA-N 334.456 3.630 0 1 EHAF Oc1ccccc1-c1nc(N[C@@H]2CCCCNC2)c2ccccc2n1 59280447 LGPIWFMZJWXDCJ-CQSZACIVSA-N 334.423 3.556 0 1 EHAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1-c1ccc(O)cc1 72104610 OVRYSRXEAMSVQR-AUJRIZCKSA-N 340.419 3.951 0 1 EHAF COc1c(CC=C(C)C)c(=O)oc2cccc([C@H](C)OC(C)=O)c12 14592186 FCXUIOBQLPTPLC-LBPRGKRZSA-N 330.380 3.934 0 1 EHAF biogenic NC(=O)c1cc(Cl)ccc1NC(=O)/C=C/c1cccc(Cl)c1 72170703 DLEKINRTPSXZCC-QPJJXVBHSA-N 335.190 3.744 0 1 EHAF COc1cc(-c2oc3ccc([C@H](O)[C@@H](C)O)cc3c2C)ccc1O 13340407 YUGNNXHPUAKQQQ-ADLMAVQZSA-N 328.364 3.537 0 1 EHAF biogenic CC(C)(C)c1cc(C(=O)Nc2cccnc2)n(Cc2ccccc2)n1 73161299 LACJONRHCONIHN-UHFFFAOYSA-N 334.423 3.876 0 1 EHAF NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)s2)CC1 149943133 SJYSQOJGPMLVJQ-LCSXWQTCSA-N 328.481 3.836 0 1 EHAF COc1ccc(/C=C2\C[C@@]3(OC(=O)c4ccco4)CCCN2C3)cc1 96018962 VCHVDOZNTPSGES-GRFAERAESA-N 339.391 3.724 0 3 EHAF CCc1ccnc(-c2nccn2Cc2nnc(-c3ccccc3)o2)c1 473087514 FQFBUDHDKGYXQM-UHFFFAOYSA-N 331.379 3.606 0 1 EHAF CCCCCCN1CC[C@@]23C=CCC[C@]2(O)[C@@H]1Cc1ccc(O)cc13 473114108 MBJPLGGGYWLQIM-BDTNDASRSA-N 341.495 3.922 0 1 EHAF CSc1ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2c1 587254522 LFLZKWFAFFAMHL-UHFFFAOYSA-N 333.420 3.821 0 1 EHAF O=C(O)Cc1c(C2CC2)nc2cccc3c2c1-c1ccccc1C3=O 587207281 QEHXXHZNTQEPFN-UHFFFAOYSA-N 329.355 3.951 0 1 EHAF C[C@]1(Cc2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587247 LUXTZXNAZFJBFP-GHTZIAJQSA-N 347.370 3.750 0 1 EHAF CCC1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)COC1 587832005 ASOOOGRVSFHUKT-MEBBXXQBSA-N 342.252 3.764 0 1 EHAF Cc1cccc(OCc2nc3cc(Br)ncc3[nH]2)c1C 587564230 PARQUYXMGHHSPB-UHFFFAOYSA-N 332.201 3.916 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccns2)N1 587859439 WTABHLYXTYFLRZ-XLKFXECMSA-N 341.249 3.842 0 1 EHAF CCOc1ccccc1OCc1nc2cc3c(cc2[nH]1)OCCCO3 587779732 GDSZVNIOXWDXPC-UHFFFAOYSA-N 340.379 3.702 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CC[C@@H]1OCc1ccccc1)[C@@H](C2)C3=O 587441277 FXJNPXBETAQFMF-MDKPJZGXSA-N 336.387 3.561 0 1 EHAF C[C@]1(c2ccc3oc(=N)[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508956 HJJUCBVZSZHUNN-OAQYLSRUSA-N 348.402 4.000 0 1 EHAF CC(C)=CCC/C(C)=C/c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587968437 QMOSBCHFMJLAHQ-WYMLVPIESA-N 347.484 3.963 0 1 EHAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 587587642 NROVEYUFQGNWIK-FXAWDEMLSA-N 333.343 3.799 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)=O)cn1C)CC2=O 587472131 YTZDNPZVTRBANI-SFHVURJKSA-N 327.380 3.592 0 1 EHAF O=C(Cc1nc2ccccc2[nH]1)n1nc2cc1Oc1ccc(F)cc1-2 587874740 BEYOEMBMIIFWRZ-UHFFFAOYSA-N 334.310 3.554 0 1 EHAF COc1cc2c3c(c1)O[C@](Cc1ccccc1F)(C1CC1)[C@@H](C2)C3=O 587426148 LTPKKKKQHICFOM-HRAATJIYSA-N 338.378 3.973 0 1 EHAF CCCN1[C@@H](c2cccc(-c3nn[nH]n3)c2)c2ccccc2C[C@H]1C 963236181 XSGIIUFCOFVRSS-KUHUBIRLSA-N 333.439 3.613 0 1 EHAF COc1ccc2c(-c3ccccc3)c(Cn3ccnc3)c(=O)oc2c1 13586725 KNUCUIJPALCQFL-UHFFFAOYSA-N 332.359 3.713 0 1 EHAF CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2C)cc1 775884 UDBHDDMLMPSTKI-UHFFFAOYSA-N 330.428 3.652 0 1 EHAF COc1cc(/C=C\c2ccc(OC(C)=O)cc2)cc(OC)c1OC 5808115 SYAOAXJVQVJDPD-WAYWQWQTSA-N 328.364 3.808 0 1 EHAF CC[C@H]1CCCN1Cn1cnc2c3cc(Cl)ccc3nc-2c1O 8680488 GQNIQVDSKGKUEL-LBPRGKRZSA-N 330.819 3.727 0 1 EHAF CCc1nc(N)nc(N)c1-c1ccc(N[C@@H](C)c2ccccc2)c(N)c1 26504049 YXWLSKAOHGRNML-LBPRGKRZSA-N 348.454 3.626 0 1 EHAF COc1ccc2cc(/C(CC(C)=O)=C3\SC(=O)NC3=O)ccc2c1 26645073 MCELURSDWBWFOS-NXVVXOECSA-N 341.388 3.522 0 1 EHAF CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OCCc2ccccc2)C1 27109766 XLHVWZIVNKAJOS-LEWJYISDSA-N 337.463 3.898 0 1 EHAF NCCCN(C(=O)c1c[nH]c2ccccc12)[C@H]1CCc2ccccc2C1 28825853 CBRMUBMTRMALEN-SFHVURJKSA-N 347.462 3.516 0 1 EHAF CCOC(=O)[C@@H]1CCCN(Cc2coc(-c3ccccc3Cl)n2)C1 64399360 PTZGBLWOCGJSPK-CYBMUJFWSA-N 348.830 3.770 0 1 EHAF O=C(O)C1CN([C@H]2CC[C@@]3(Cc4ccccc4Oc4ccccc43)C2)C1 64448818 IRGGYSVFJCBILG-HTAPYJJXSA-N 349.430 3.842 0 1 EHAF O=S(=O)(Nc1ccc2[nH]c3ccncc3c2c1)c1ccc(F)cc1 64573186 BJQQDPOQYFDPAE-UHFFFAOYSA-N 341.367 3.656 0 1 EHAF Cc1ccc(-c2c(CC(=O)O)c(C)nc(CC(C)C)c2CN)cc1 66097748 CENHBINXUBIJGD-UHFFFAOYSA-N 326.440 3.650 0 1 EHAF CC(=O)N[C@H](C)CCc1ccc(Oc2cnc(OC(C)C)nc2)cc1 66258526 LTBMBCDLCOTJSV-CQSZACIVSA-N 343.427 3.513 0 1 EHAF CC(=O)c1cc2c(C)cc(=O)oc2cc1OCCN1CCCC[C@H]1C 71295388 CMVNWQPKLMMSEY-CQSZACIVSA-N 343.423 3.557 0 1 EHAF CCS(=O)(=O)c1ccc2c(c1)nc(CCC(C)C)n2CC1CC1 72108633 IYOZCAVJZKOVCR-UHFFFAOYSA-N 334.485 3.829 0 1 EHAF COc1ccc(C(=O)N2CCC[C@@H]3c4ccccc4CC[C@@H]32)cc1O 96169329 FXVOMXUBBMUTDL-MSOLQXFVSA-N 337.419 3.735 0 1 EHAF Cc1cc(O[C@H](C)C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)ccc1Cl 101221090 ICKBYTJVAIXITK-RDBSUJKOSA-N 337.847 3.584 0 1 EHAF O=C(NC1(CO)CCCCC1)c1nc2c(-c3ccccc3)cccc2[nH]1 103268375 SKJFRPOEZSVSCJ-UHFFFAOYSA-N 349.434 3.655 0 1 EHAF CC(C)OC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl 103272160 GZOMDEWNWODVJF-UHFFFAOYSA-N 347.798 3.649 0 1 EHAF C[C@H]1C(Cl)(Cl)[C@@]1(C)C(=O)NCCc1csc(Cl)c1 103296440 KMZUSHAASRJDCR-RDDDGLTNSA-N 326.676 3.890 0 1 EHAF O=C(NCc1cccc(Cl)c1Cl)[C@H]1CCOc2ncccc21 205617171 KEUHEJZXACRALD-NSHDSACASA-N 337.206 3.571 0 1 EHAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](O)(C1CCCCC1)C(=O)N2 220520799 DJHFENWCGFCQSD-IBGZPJMESA-N 326.396 3.678 0 1 EHAF CC1=CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC/C(=C\CO)CO 238787411 NVNBXFPYJOINAR-BONNTDLGSA-N 336.472 3.541 0 1 EHAF COC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@@H]3CC[C@@]12C 253635783 SZAGBXYCBORFKQ-FEJCPLQASA-N 334.456 3.581 0 1 EHAF Clc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2n1 587007503 ZWLATSDIKFWFHQ-UHFFFAOYSA-N 348.591 3.689 0 1 EHAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Cl)nc2[nH]1 587080268 OHAXUSVADUVCLS-LLVKDONJSA-N 346.221 3.989 0 1 EHAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(=N)[nH]cc3[nH]2)c1 587240326 CELIVWMZPVMNJX-UHFFFAOYSA-N 344.422 3.980 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cc(Cl)ncc13)O2 587379365 ICPLZDOCUBNDEJ-OAHLLOKOSA-N 327.771 3.813 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)O)(c1cccs1)O2 587412743 KRBRQZWYTJAFMZ-GOSISDBHSA-N 345.420 3.754 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cnccc1N(C)C)CC2=O 587469769 PHEBDIPGOMUFMH-SFHVURJKSA-N 326.396 3.512 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN1CCCC1)CC2=O 587474600 IQXMVDZVAXRZME-GOSISDBHSA-N 331.456 3.801 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)n2)N1 587738504 OXPMUQYMMJNJIU-VXJOIVPMSA-N 339.183 3.746 0 1 EHAF CCOC1CC([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 587812114 PSFSTGMLKKHYME-ARVCBEJDSA-N 342.252 3.979 0 1 EHAF Cc1csc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587853097 OXXYBAQVNFUCOB-UHLUBPPHSA-N 341.249 3.977 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccns2)N1 587856566 ISWBVUGOKGYJLU-UHLUBPPHSA-N 327.222 3.668 0 1 EHAF O=C(O)Cc1ccc(Cc2nc3ccc(Br)cc3[nH]2)cc1 587960540 DOWRLWAMIAQSEZ-UHFFFAOYSA-N 345.196 3.543 0 1 EHAF COC(=O)[C@H]1CCCC[C@]12NCCc1c(Cl)cc(Cl)cc12 963126200 VKKBHDSWBROUMV-WBMJQRKESA-N 328.239 3.698 0 1 EHAF C[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](CCCCOCc4ccccc4)NC(=N1)N23 1772620864 IFDCOPWPIZEWHY-BTHPGYMESA-N 341.499 3.717 0 1 EHAF CN(C)Cc1ccn2c(-c3cn[nH]c3)c(-c3ccc(F)cc3)nc2c1 1857546709 MKAZDNJZZNPECQ-UHFFFAOYSA-N 335.386 3.592 0 1 EHAF Cc1cccc(C)c1-c1ccc(N[C@H]2CC[C@H](O)CC2)c(C(N)=O)c1 1857636122 MJMZFKLWENKJIA-QAQDUYKDSA-N 338.451 3.785 0 1 EHAF CC1=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@@H](O)CC2=C(C)C(=O)O[C@H]2C1 2356484982 OFDXQVMWNHHDDC-NIHFZTOQSA-N 334.456 3.683 0 1 EHAF Cc1c(Br)cccc1NC(=O)[C@]1(C)CCN1C(C)C 61908862 MZOJMPMHQGDKEV-HNNXBMFYSA-N 325.250 3.569 0 3 EHAF COC(=O)Cc1nc(NC2CCCCC2)c2c(C)c(C)sc2n1 221488 PWYWYRDGALPJRG-UHFFFAOYSA-N 333.457 3.768 0 1 EHAF CC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C(\C)C[C@@H](C)[C@H]1OC(=O)[C@H]1C 3872411 WOISDAHQBUYEAF-IPYQBDNBSA-N 338.488 3.769 0 1 EHAF in-vitro CC[C@H](O)CCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(CO)=C[C@H]21 5599066 TVERZASQEULZFR-YESZJQIVSA-N 346.467 3.679 0 1 EHAF C[C@H]1[C@H]2Cc3cc4sc(N)nc4cc3[C@]1(C)CCN2CC1CC1 13560068 RHBKARCWDMDZOJ-YARKZXGKSA-N 327.497 3.813 0 1 EHAF Cn1cc[n+]2c1[C@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 13741377 SVAPQRALBSDYJD-VQTJNVASSA-N 343.406 3.923 0 1 EHAF CC[C@@H]1C[C@@H]2C=C(C(=O)OC)n3c4c(c5ccccc53)CCN(C1)[C@@H]42 14719419 HUJHMNHVYIYOMD-PJIJBLCYSA-N 336.435 3.614 0 1 EHAF biogenic Cc1nc(-c2ncn3c2CN=C(c2ccccc2)c2ccccc2-3)no1 26378782 YMGFLMKKTWFYGI-UHFFFAOYSA-N 341.374 3.582 0 1 EHAF COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]n2)cc1 28461938 IIXSTHQKYISRKO-UHFFFAOYSA-N 340.379 3.778 0 1 EHAF COc1ccc(-c2ccc(/C=C/c3n(C)cc[n+]3C)o2)cc1Cl 40835987 VWDDADXTYKDDHI-RMKNXTFCSA-N 329.807 3.942 0 1 EHAF NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCCC3 49069357 SCWDEGJOTPRQQT-UHFFFAOYSA-N 341.436 3.896 0 1 EHAF NC(=O)c1ccc(Nc2nccc3[nH]c(-c4cccc(F)c4)nc23)cc1 82081818 TXAOBXDHCHOPQE-UHFFFAOYSA-N 347.353 3.607 0 1 EHAF CC[C@H](C)c1nc2nc(N(CC(C)C)CC(C)C)ccc2[nH]c1=O 82231699 GCDNOKAUFOLDDV-AWEZNQCLSA-N 330.476 3.950 0 1 EHAF CC(C)N1CCN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)CC1 95553250 WZLSGSRMPOEBMK-NRFANRHFSA-N 336.479 3.566 0 1 EHAF COc1cc(Nc2cccc3cn(C)nc23)ccc1-n1cnc(C)c1 95572884 VFBJOWURJQKUOE-UHFFFAOYSA-N 333.395 3.820 0 1 EHAF Cc1cc(N)nc(C)c1CNC(=O)c1ccc(Oc2ccccc2)o1 114077612 GTGHMBBKODSHRE-UHFFFAOYSA-N 337.379 3.596 0 1 EHAF COC[C@@H](COc1cccc2cnccc12)NCc1ccc(F)cc1 169329843 PSZTXDYVUUHERL-SFHVURJKSA-N 340.398 3.558 0 1 EHAF C[C@@H](c1cccc(C(F)(F)F)c1)[S@@](=O)c1ccc(C(=O)O)nc1 169337692 RAFHDDVDIRXOMJ-YGWIHHTISA-N 343.326 3.667 0 1 EHAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(C)cc2[nH]1 586972655 JVTFMLBHEDSPSA-SFHVURJKSA-N 339.464 3.982 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](CCO)CCC3 586991909 QXHCFAIUGJYDOJ-GFCCVEGCSA-N 345.398 3.954 0 1 EHAF COc1ccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(F)c1 587148544 JXJMMMGTRKMJRA-UHFFFAOYSA-N 328.240 3.858 0 1 EHAF N[C@@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@H]1c1ccccc1F 587156991 QHZQSLXYGQLNHY-GYKQLYQFSA-N 339.267 3.600 0 1 EHAF Nc1ncccc1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587253930 NPUSMZQRSRGUAZ-UHFFFAOYSA-N 342.708 3.683 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cnccn1)CC2=O 587472123 YOMPNKVLEPGGDX-SFHVURJKSA-N 349.390 3.632 0 1 EHAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(O)c1)CC2=O 587482179 SKUPCWZAVUXRKO-FQEVSTJZSA-N 342.391 3.940 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)cc1)CC2=O 587482479 UBHCBEIQNDMNFB-GOSISDBHSA-N 340.375 3.838 0 1 EHAF O=C1C[C@]2(C[C@@H](C(=O)O)c3ccccc32)Oc2c1ccc1c2CCCC1 587529521 OSNFFKGWUXJUQU-VGSWGCGISA-N 348.398 3.998 0 1 EHAF C[C@@H]1C[C@H](C(=O)O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587530504 VSHGOGFKVAMXNL-ZGLRSVDFSA-N 328.408 3.790 0 1 EHAF CO[C@@H](c1cncs1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536772 ZZAAOZZCPBVNOB-MAUKXSAKSA-N 329.421 3.743 0 1 EHAF CCn1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587578029 PQQVMAMXAKYTFK-FXAWDEMLSA-N 335.359 3.917 0 1 EHAF COC(=O)Cc1ccccc1-c1nc2cccc(Br)c2[nH]1 587783430 QZAPFMQHKNUKAQ-UHFFFAOYSA-N 345.196 3.708 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2OCCC2(C)C)N1 587828833 AAPRGHRLDIVNFC-NKZPBKNFSA-N 342.252 3.979 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CCCOC2)N1 587835549 PLTZWJFMRWOSDT-RFAUZJTJSA-N 326.209 3.510 0 1 EHAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sn1 587854069 BJKJOENPEQYBKF-WJWGPLDTSA-N 341.249 3.977 0 1 EHAF CN(C)CCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 653749397 OVBOFIXDCJHRLP-UHFFFAOYSA-N 335.451 3.890 0 1 EHAF CCOC(=O)c1cc(-c2csc(Nc3ccc(C)cc3)n2)n(C)n1 1772655367 VONVUTIKXTVWHD-UHFFFAOYSA-N 342.424 3.772 0 1 EHAF COc1ccc2[nH]c(=O)c(-c3nc4ccc(Cl)cc4[nH]3)cc2c1 1857649174 BFPGXSRKBRGGFS-UHFFFAOYSA-N 325.755 3.733 0 1 EHAF CC(C)[C@@H](CC1CCCCC1)NC(=O)[C@H]1Cc2ccccc2CN1 1857747118 WFOHLPKLIGSKCE-WOJBJXKFSA-N 328.500 3.812 0 1 EHAF Cc1ccn(-c2ccc(C(=O)N3CCC[C@H](O)c4ccccc43)cc2)n1 1857761132 QBJJGWYSANHTJY-FQEVSTJZSA-N 347.418 3.655 0 1 EHAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]23CO[C@]4(C)O[C@@]12CC[C@@H]34 2356471233 LMCSJIHQFRKFCW-KFGNZHDTSA-N 332.484 3.886 0 1 EHAF C[C@@H]1C[C@@H]2OC(=O)[C@@H]3[C@H](O)CC[C@H]([C@@]1(C)CCc1ccoc1)[C@@]23C 2356487581 FRKSRKZPPJMBNA-AAXTVUCJSA-N 332.440 3.577 0 1 EHAF CCC=CC[C@@H]1O[C@H]2[C@@H](O)C[C@H]1[C@@H]2C=CCC=CCCCC(=O)O 2356545970 UOGXOGGKPUJKPV-ZYNAIFEFSA-N 334.456 3.865 0 1 EHAF CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1nccn1C 13595909 LAXRRGPKMFBOCT-UHFFFAOYSA-N 345.834 3.534 0 3 EHAF COc1ccc2ccc(Oc3ccc(O[C@H](C)C(=O)O)cc3)nc2c1 3366 KCYKVBTUCABITM-GFCCVEGCSA-N 339.347 3.888 0 1 EHAF C[C@@H]1C(=O)c2cc3c(cc2[C@H](c2ccc4c(c2)OCO4)[C@H]1C)OCO3 14726879 QJSBINYNDXOXHY-ADWYPQAOSA-N 338.359 3.744 0 1 EHAF biogenic CN1CCC[C@@H]1COc1cnc(Cl)c(/C=C/c2cccnc2)c1 26729219 LSIVPWOKOMMEHN-FYCOFBDGSA-N 329.831 3.773 0 1 EHAF C/C=C(/C)C(=O)O[C@@H]1C=C(C)CC[C@@]2(O)[C@H](C(C)C)CC(=O)[C@]12C 28537672 IVSKJBHOJBAMEK-GULXXORSSA-N 334.456 3.587 0 1 EHAF CCc1c(F)c(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)O[C@H](C)CC3=O 29133852 LNKUYPYNHHUQPX-DTWKUNHWSA-N 344.338 3.642 0 1 EHAF CCC[C@@H](C)Nc1nc(C)cc(NCCC(=O)Nc2ccccc2)n1 45168420 YMQKTUJWRBOGDP-CQSZACIVSA-N 341.459 3.826 0 1 EHAF Cc1ccc(C)c(Oc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)c1 45385053 CICSDMCZOFKYEA-INIZCTEOSA-N 327.405 3.990 0 1 EHAF CCOC(=O)[C@H]1CCCCN1Cc1coc(-c2cccc(C)c2)n1 72183869 USHFTVOSELWQEJ-QGZVFWFLSA-N 328.412 3.568 0 1 EHAF O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)C1CCCC1 95755302 DQSIGCQGKXBGOG-UHFFFAOYSA-N 333.391 3.719 0 1 EHAF CCOc1ccc(N(C)c2nc(N)nc3[nH]c4ccccc4c23)cc1 96271136 QMKGFBTVQQZEJM-UHFFFAOYSA-N 333.395 3.860 0 1 EHAF Oc1c2c(nn1-c1ccccn1)CCc1cc(Br)ccc1-2 101463436 LNONOGWBURYGPN-UHFFFAOYSA-N 342.196 3.501 0 1 EHAF Cn1c(COc2ccc(Cl)cc2)nc2ccc(Cl)cc2c1=O 103177883 LOWGIVVVSDEFDU-UHFFFAOYSA-N 335.190 3.819 0 1 EHAF CCCO[C@H]1Sc2nnc(CC)n2N=C1c1ccc(Cl)cc1 103216654 RSCLPZTZGWPLPJ-AWEZNQCLSA-N 336.848 3.605 0 1 EHAF O=C(O)c1csc(-n2nc(-c3ccc(F)cc3)c3ccccc32)n1 103254812 WOIPROMLNWCBKR-UHFFFAOYSA-N 339.351 3.986 0 1 EHAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(C)cc1 104061107 PDDOLUZOIFFYRC-UYTDBDHRSA-N 341.415 3.653 0 1 EHAF C[C@H]1CN2[C@H]3[C@@H]1CC[C@]31CCC(=O)O[C@]1(C)[C@@H]1CC[C@H]3CCC=C3[C@@H]12 238789747 NGQSEZXJVMCXSC-MGRODZRWSA-N 341.495 3.927 0 1 EHAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C)o4)cc3)nc2n1 586905062 GBPLWCPYOYFMNK-UHFFFAOYSA-N 333.347 3.980 0 1 EHAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cnccc3[nH]2)c1 586914522 SVWFJZQFFCAJMT-UHFFFAOYSA-N 331.331 3.726 0 1 EHAF COC(=O)CCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586990863 GZQYQXIWAVRKEI-UHFFFAOYSA-N 347.370 3.648 0 1 EHAF O=C(Nc1nc(Cc2nc3ccccc3[nH]2)cs1)c1cccs1 587019023 FCJHVIMCJZIRAH-UHFFFAOYSA-N 340.433 3.924 0 1 EHAF COC(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1OC 587162663 YBDWYFXWXHPXSF-UONOGXRCSA-N 340.354 3.768 0 1 EHAF C=CC(=O)Nc1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 587244316 OOSZUUUIOVMPSW-UHFFFAOYSA-N 343.184 3.512 0 1 EHAF C[C@@]1([C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360478 VNEGSTNKPWULOM-GGPKGHCWSA-N 342.366 3.828 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)CN1CCC[C@@H](C)C1)O2 587393378 HLNIOFDYHKNLFY-FZKQIMNGSA-N 330.472 3.669 0 1 EHAF CCc1ccc2occ([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(=O)c2c1 587406358 BTUJNTGJCTXSPC-IBGZPJMESA-N 349.386 3.953 0 1 EHAF CCn1cc([C@@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587509896 YDHBOCZQPJXKMU-LJQANCHMSA-N 346.377 3.908 0 1 EHAF O=C1C[C@](c2ccccc2)(c2nc[nH]n2)Oc2c1ccc1c2CCCC1 587521099 AFDUZMLUXSFSBK-NRFANRHFSA-N 345.402 3.593 0 1 EHAF CCOc1ccccc1OCc1nc2cc(Br)cnc2[nH]1 587779676 CJOSQFUISZPYNY-UHFFFAOYSA-N 348.200 3.698 0 1 EHAF COc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cn1 587782965 UJHBXIZDEXVRSC-UHFFFAOYSA-N 347.374 3.918 0 1 EHAF CC[C@@]1(Cc2nc3cncc(OC)c3[nH]2)CC(=O)c2ccccc2C1 587961796 UVYICQMTQPXWBC-FQEVSTJZSA-N 335.407 3.735 0 1 EHAF O=C(NCCc1nc(-c2cccc(F)c2)cs1)c1ccccc1 653849098 TWBRKEPNGQSFAA-UHFFFAOYSA-N 326.396 3.922 0 1 EHAF Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4)no3)nc12 1857605646 VKSMQHIHCUMOQU-UHFFFAOYSA-N 335.319 3.860 0 1 EHAF CC(=O)OC[C@@H]1C[C@H](C)[C@@H]2[C@H](C=C[C@H](C)[C@H]2C=CC=CC(=O)O)C1 2356718730 FNGOIISIZQTTTM-SGRPIZLWSA-N 332.440 3.847 0 1 EHAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccc(OC(F)(F)F)cc1 2356844466 NVHZDUYRDNEKQQ-OWCLPIDISA-N 342.405 3.795 0 1 EHAF Cc1ccc2nc3n(c(=O)c2c1)-c1ccccc1C(=O)N[C@H]3CC(C)C 61931327 RPJWJQSOIGBPPU-KRWDZBQOSA-N 347.418 3.525 0 3 EHAF COc1ccc2c(c1)C=C[C@]1(O2)N(CCO)c2ccccc2C1(C)C 2215077 WCLXPBHKDKKIGY-OAQYLSRUSA-N 337.419 3.587 0 3 EHAF CN(Cc1ccccc1)C(=O)c1nn(C)c2c1CSc1ccccc1-2 6817586 SCCUDSAUFNJBCM-UHFFFAOYSA-N 349.459 3.965 0 1 EHAF CCN1[C@@H]2CC[C@@H]1CC(OC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C2 102071570 ZFYZETKHCWUZHQ-BPLDGKMQSA-N 337.847 3.666 0 1 EHAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccc(C)o1 101925601 HAAZOGUWHRJEQU-WUVIJCSQSA-N 333.384 3.789 0 1 EHAF O=c1cc(N2CCOCC2)oc2cc(-c3ccc4[nH]ccc4c3)ccc12 28530012 XYFHQBQJEPLBSF-UHFFFAOYSA-N 346.386 3.778 0 1 EHAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 61926682 ZILMILXLOOVPNT-GFCCVEGCSA-N 343.345 3.511 0 3 EHAF COc1ccc([C@@H]2CC[C@@H](OCCc3cccnc3)O2)cc1OC 29318207 MOXOXGNMYAFZBJ-LPHOPBHVSA-N 329.396 3.536 0 1 EHAF CCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1 49069897 VKYABHOVHZOAEX-UHFFFAOYSA-N 327.424 3.733 0 1 EHAF C[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 195484845 STDMHHFEFLFPDE-HNJNHCNJSA-N 330.387 3.948 0 1 EHAF CN(C)c1nc(N)nc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12 222801138 DDOAMBAFKLSUFY-UHFFFAOYSA-N 329.407 3.940 0 1 EHAF in-vitro C[C@@]1(C2=CO[C@H](c3ccoc3)C2)C[C@@H]2OC(=O)C3=CCC[C@H](O1)[C@@]32C 238780196 MCZHUUSEEWVFBJ-VDWQKOAOSA-N 342.391 3.824 0 1 EHAF CC(C)=C1C/C=C(/C)CC[C@H](O)[C@H](C(=O)O)[C@@H](O)C/C=C(\C)CC1 238786045 MUKKWTZBXOOCHN-UBKRZUGSSA-N 336.472 3.992 0 1 EHAF C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)/C(=C/c3ccc(N)cc3)[C@@H]2CC1 299820528 HNNRVVBAZAOKJD-QZKIWLEHSA-N 339.435 3.872 0 1 EHAF Cn1nc(C(F)(F)F)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587118485 QKRIWAYIXIBFRB-UHFFFAOYSA-N 336.104 3.684 0 1 EHAF Cc1cncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587775818 UGZGTPRSPCMAIF-QFYYESIMSA-N 335.220 3.915 0 1 EHAF C[C@@H]1C(=O)CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587816591 AQWCISGGFNJHQL-LYGAQUJYSA-N 340.236 3.707 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)o1)[C@@H](C2)C3=O 587416701 CIDDHUPUJPVIBO-QFYYESIMSA-N 349.180 3.714 0 1 EHAF O=C(O)/C=C/C=C/c1nc2c(Br)cc(Cl)cc2[nH]1 587965965 REHPDVRLRFYRME-ZPUQHVIOSA-N 327.565 3.633 0 1 EHAF Nc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1CC(=O)O 587249370 JWEVNYBZDQDWFI-UHFFFAOYSA-N 336.178 3.746 0 1 EHAF Oc1ccc2c(c1)[C@](c1ccccc1)(c1ccc(Cl)nc1)NCC2 963328937 JUGXOZOFPVRWAG-FQEVSTJZSA-N 336.822 3.878 0 1 EHAF CC(C)(C)n1nc(Sc2cccc(Cl)c2)c2c(N)ncnc21 1772632889 PNPUVQZAAVTLKS-UHFFFAOYSA-N 333.848 3.968 0 1 EHAF Cc1cc(C)n(C[C@@H](C)NCc2c[nH]nc2-c2ccc(C)c(C)c2)n1 11933817 LVIXRLUCTYKDHK-MRXNPFEDSA-N 337.471 3.685 0 3 EHAF CO[P@@](=O)(c1ccccc1)N1CCCC(c2ccc(F)cc2)=N1 13557127 ZEGQIPCHQCDGTC-QHCPKHFHSA-N 332.315 3.791 0 1 EHAF [O-][N+]1=CC(c2ccc(Oc3ccccc3)cc2)=[N+]([O-])[C@H]2CCCC[C@H]21 13616207 QUQPREFMDUPVMG-MOPGFXCFSA-N 336.391 3.684 0 1 EHAF COc1cccc2c1cc(CCNC(=O)C1CC1)n2-c1ccccc1 13863802 YNPLPFCIKOEQCH-UHFFFAOYSA-N 334.419 3.708 0 1 EHAF COc1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1OC 14964225 OFJZILFQGXSVMM-UHFFFAOYSA-N 342.424 3.858 0 1 EHAF CN1C(=O)[C@H](c2ccc(C#Cc3cccc(F)c3)cn2)[C@H]2CCCC[C@H]21 204404548 ANKHAIGVTCEXMT-TYPHKJRUSA-N 348.421 3.735 0 1 EHAF Cc1cc(O)ccc1CNc1cc(Br)cc2[nH]ncc12 1857585168 ODWLTGLTLSKGOB-UHFFFAOYSA-N 332.201 3.952 0 1 EHAF CO[C@@H]1C(=O)[C@H](C)[C@]23CC[C@]2(C)[C@H](Br)C[C@]3(C)[C@H]1C 14649706 NMUUELQQXZGRRS-PRVDTHAHSA-N 329.278 3.816 0 1 EHAF biogenic Cc1nn(C(=O)CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccccc12 20464399 QCBLBMZUEVXGGC-CKEIUWERSA-N 341.455 3.706 0 1 EHAF O=C(O)CC/C=C\C[C@H]1CO[C@@H](c2ccco2)O[C@@H]1c1cccnc1 27723342 PGLLRZHYBMXBPA-OQXRQTOTSA-N 343.379 3.889 0 1 EHAF COc1cc2c3c(-c4ccccc4)c[nH]c(=O)c3n(C)c2cc1OC 40913795 IJYDBAXDVRHBCC-UHFFFAOYSA-N 334.375 3.704 0 1 EHAF CCc1ccc(S(=O)(=O)n2cc(C(C)=O)c3ccc(C)cc32)cc1 49112384 BSCLMKLYZJFJPX-UHFFFAOYSA-N 341.432 3.952 0 1 EHAF CCCCn1c2c(c3ccccc31)CC[C@@H](CN1CCOCC1)C2=O 59284876 BOIZBHZDXMXGAJ-INIZCTEOSA-N 340.467 3.519 0 1 EHAF Cc1ccc([C@@H](C)N(CCCCN)Cc2nc3ccccc3[nH]2)nc1 66076147 KGGFZZBLEQCXHG-MRXNPFEDSA-N 337.471 3.568 0 1 EHAF CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(N)=O)cc2)cn1 66259370 RIGADVBJTCKTTQ-AWEZNQCLSA-N 343.427 3.651 0 1 EHAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)N1CCCC1)[C@@H](c1ccc(Cl)cc1)C2 100949884 FDJNTRXHKYKJDR-TVFCKZIOSA-N 332.875 3.529 0 1 EHAF CC[C@@H](C)n1cc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 101239198 OQAURLNJGHHHBH-PVAVHDDUSA-N 339.483 3.967 0 1 EHAF COC(=O)/C=C(/C)CC[C@@H]1C(=O)CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C 238772440 JALUKZVNCFBPCF-RCHJSLCXSA-N 336.472 3.668 0 1 EHAF O=C1NC(SCc2ccccc2)=N[C@H](Sc2ccccc2)N1 473095117 XEKDGIHUHPVYAT-MRXNPFEDSA-N 329.450 3.665 0 1 EHAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)cnc3[nH]2)cc1 586887443 IDCQZAJCQBDGCT-QMTHXVAHSA-N 346.228 3.866 0 1 EHAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(OC)c2[nH]1 586916074 JOUZKVOBBYHGPS-VBKZILBWSA-N 336.391 3.788 0 1 EHAF Cc1c(Br)ccc2nc(C(C)(C)SCC(=O)O)[nH]c12 586960579 VWFOEIPMEZPNNZ-UHFFFAOYSA-N 343.246 3.687 0 1 EHAF COC(=O)c1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cn1 587074349 SYVHTXMWUDPMKR-UHFFFAOYSA-N 341.798 3.672 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCO[C@H](F)C2)[C@@H]1c1ccc(F)cc1 587340742 VROIYFUAHADJNQ-SCTDSRPQSA-N 346.329 3.735 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=O)c1ccc(Cl)cc1)O2 587377506 JJHXQKUFXUJLHP-SFHVURJKSA-N 329.783 3.837 0 1 EHAF COc1ccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587386159 SNILTGMKMGGEPN-ZDUSSCGKSA-N 329.371 3.692 0 1 EHAF COc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc12 587394682 YSNXGCSXQYUVPG-GOSISDBHSA-N 334.375 3.841 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cnc4c(cnn4C(C)C)c1)[C@@H](C2)C3=O 587430366 DSFWCQOKUGEQNW-KXBFYZLASA-N 349.390 3.510 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccnc4ccc(OC)cc14)[C@@H](C2)C3=O 587435016 AUSNTKNZZBAVIQ-HRAATJIYSA-N 347.370 3.741 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)s1)[C@@H](C2)C3=O 587448795 CLPNKSRMEBLAHJ-ORAYPTAESA-N 341.432 3.846 0 1 EHAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cn(C)nc3c1)CC2=O 587475364 KXAZIHVYMGQCHM-IBGZPJMESA-N 336.391 3.938 0 1 EHAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](CC(=O)O)[C@@H]1C)CC2=O 587488468 JGMSMZBIEJFIPI-SYTFOFBDSA-N 332.396 3.570 0 1 EHAF Nc1cccc2c1OCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587512229 WFPMOQHBYVNHRC-NRFANRHFSA-N 335.403 3.791 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ncccc12 587584925 CAEFSFBJVMRWEC-GHTZIAJQSA-N 345.354 3.591 0 1 EHAF CCOc1cc(-c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)ccc1C 587778495 OBLJLAJZILEWTC-UHFFFAOYSA-N 340.379 3.732 0 1 EHAF O=C(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)OCc1ccccc1 587781974 ODYTZIZCNNYVER-UHFFFAOYSA-N 336.178 3.551 0 1 EHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(C)c(OC)cc3[nH]2)cc1 587785386 NYWVHRHMLPQGDE-HUUCEWRRSA-N 336.391 3.823 0 1 EHAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)ncn1 587862905 KXJYUWBJMAJZOP-UHFFFAOYSA-N 334.301 3.665 0 1 EHAF CSC[C@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962950116 DPGJCWFVZOVSKF-HNNXBMFYSA-N 345.430 3.935 0 1 EHAF COc1cc([C@H]2NCCc3c(OC)ccc(Cl)c32)cc(Cl)n1 963256534 DFZKFBKTWSBIEJ-MRXNPFEDSA-N 339.222 3.641 0 1 EHAF C=CC(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1 1857651859 DSJRFGBKCCHLMV-UHFFFAOYSA-N 347.418 3.699 0 1 EHAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](O)C[C@@]2(C)C(=O)CC[C@@H]32)C1 2356441732 CEFAOKKMPAXYIR-ZBOQVXOYSA-N 348.483 3.501 0 1 EHAF CC1=CC[C@H](O)[C@H](C(=O)O)[C@H](O)CCC(C)=CCC(=C(C)C)CC1 2356452342 MUKKWTZBXOOCHN-CEXWTWQISA-N 336.472 3.992 0 1 EHAF CC(=CC(=O)O)CC[C@@]1(C)[C@@H]2CCC=C(CO)[C@]2(CO)CC[C@H]1C 2356565254 SUIJWPJRFXANRY-MCYKXBRJSA-N 336.472 3.541 0 1 EHAF CO[C]1C=CC(=C2C=C(C(=O)O)C=C(c3ccc(OC)cc3)O2)C=C1 2356862888 TZXQYQSAZDIIDN-UHFFFAOYSA-N 337.351 3.636 0 1 EHAF O=C(CSc1nc2cc(Cl)ccc2o1)NCCc1ccccc1 3272625 YFNNNGYAMXXAPS-UHFFFAOYSA-N 346.839 3.932 0 3 EHAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C 13597399 JSGVCWDJNUVILL-HXOHHMPKSA-N 348.458 3.786 0 3 EHAF biogenic CCCCNC(=O)COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2 2464925 YVYNBEYSVYKOFL-UHFFFAOYSA-N 345.439 3.650 0 1 EHAF c1ccc(CSc2nc(N3CCCCC3)c3cn[nH]c3n2)cc1 5974586 RZLXPPKSNANWEM-UHFFFAOYSA-N 325.441 3.636 0 1 EHAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2Cc1ccccc1F 6917791 ZWRGTMHJARNSJZ-UHFFFAOYSA-N 347.393 3.898 0 1 EHAF CC(C)Oc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 26001553 FIFRYNRCBPJZBZ-UHFFFAOYSA-N 327.453 3.996 0 1 EHAF COc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)c[nH]2)cc1OC 27181138 SMZKXARCCJPRPT-UHFFFAOYSA-N 349.390 3.646 0 1 EHAF COc1ccc(N2C(=O)/C(=C(/C)N(C)C)c3ccccc32)cc1F 27517732 RFDVWNQMXHWNIO-PDGQHHTCSA-N 326.371 3.805 0 1 EHAF COc1c([C@H](CC(C)=O)c2ccc(O)cc2)c(=O)oc2ccccc12 27559071 WGQJNDLRGFMVCQ-MRXNPFEDSA-N 338.359 3.618 0 1 EHAF Fc1ccc(CN2CCc3ccccc3[C@@H]2Cn2ccnc2)c(F)c1 28762113 CNTIJZBGWRQNMR-FQEVSTJZSA-N 339.389 3.961 0 1 EHAF C[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 49034665 QGMFKGFHTXZZHX-DGIBIBHMSA-N 337.810 3.551 0 1 EHAF COc1ccc2c(c1)-c1c(C)c3ccc(OC)c(OC)c3c[n+]1CC2 59586060 NETDCFNXHNJJDK-UHFFFAOYSA-N 336.411 3.685 0 1 EHAF biogenic,in-vitro CC(C)n1nc(-c2ccc3nc(Cl)ccc3c2)c2c(N)ncnc21 64485784 QFUHCUNJMQVKME-UHFFFAOYSA-N 338.802 3.858 0 1 EHAF O=C1CCNC(=O)c2c1ccn2Cc1ccc(-c2ccccc2)cc1 72175301 YRIPYXMAUMAQQD-UHFFFAOYSA-N 330.387 3.520 0 1 EHAF COc1cccc(CN(C)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1 95589296 MTJPSOHLRSAFBG-UHFFFAOYSA-N 336.395 3.749 0 1 EHAF C[C@H]1CC[C@H](NS(C)(=O)=O)CCCCCCCCCCC(=O)O1 103215444 SRCSWRHTEYOYIJ-JKSUJKDBSA-N 347.521 3.531 0 1 EHAF COc1cc(-c2ccccc2)ccc1NC(=O)c1cnn2cccnc12 113650471 LUASMYKHZHLGDI-UHFFFAOYSA-N 344.374 3.657 0 1 EHAF CN1C[C@](O)(c2ccc(-c3ccccc3F)cc2)O[C@@H]2CCCC[C@H]21 253670979 DVRJPNBGRUZGDS-NJDAHSKKSA-N 341.426 3.911 0 1 EHAF CNC(=O)c1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cc1 473092151 RTECQFROUMPSQG-UHFFFAOYSA-N 340.329 3.759 0 1 EHAF Oc1c(Br)ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 586903187 NXCISRFADSDIFC-ZWNOBZJWSA-N 345.196 3.600 0 1 EHAF CC[C@@H]1OCCC[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586910709 JNWWGMMYAOFAGY-BQBZGAKWSA-N 334.729 3.649 0 1 EHAF Brc1ccc(Br)c2[nH]c([C@H]3CCOC3)nc12 586910727 AERIAAVUAUOBRB-LURJTMIESA-N 346.022 3.592 0 1 EHAF COc1cccc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c12 587156511 PFXNNGWCLKTEDC-UHFFFAOYSA-N 338.342 3.572 0 1 EHAF O=C(/C=C/c1nc2ccc3ncccc3c2[nH]1)Nc1ccc(F)cc1 587166521 DHQWWSLWMSRBAJ-MDZDMXLPSA-N 332.338 3.902 0 1 EHAF O=C(CC1CCCC1)c1c(CO)oc2cc(Br)cnc12 587273060 GUGHOXHOFYVFIG-UHFFFAOYSA-N 338.201 3.846 0 1 EHAF O=C(c1c(CO)oc2cc(Br)cnc12)C1CCCCC1 587275509 CIENBDFOXCZLQI-UHFFFAOYSA-N 338.201 3.846 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3cnccc3nc1C)O2 587395344 QBKQNZQHWMIZLX-FQEVSTJZSA-N 333.391 3.709 0 1 EHAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccn2C)N1 587754979 NKSJICGBLFXFCQ-QFYYESIMSA-N 337.236 3.724 0 1 EHAF COc1cccc(/C=C/n2cc(/C=C/c3ccc(O)c(OC)c3)nn2)c1 653795344 HTEKNDNEDOCQFU-UMYLGFLZSA-N 349.390 3.799 0 1 EHAF Cc1ccccc1C[C@]1(C2CC2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962891213 CSRCAJCNMIQDMX-PZJWPPBQSA-N 339.410 3.581 0 1 EHAF O=Cc1ccnc(-c2cc([C@H]3NCCc4cc(Cl)ccc43)ccn2)c1 963391048 PAKLKNTYMZMDAF-HXUWFJFHSA-N 349.821 3.845 0 1 EHAF COc1ccc(CCCc2ccc(OC)c(OC)c2OC)c(O)c1 1772578085 XRLHHGZZYUVPSQ-UHFFFAOYSA-N 332.396 3.602 0 1 EHAF CC(C)(O)[C@@H]1Cc2cc([C@@H]3CCc4ccc(O)cc4O3)ccc2O1 1772622355 UJQOZIOHSJDPFO-LPHOPBHVSA-N 326.392 3.533 0 1 EHAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56CCC[C@@H]5C=CC[C@@]4([C@@]21O)[C@@]36C 2356356021 JXQHFTDLSRGNLB-BNTWHXLYSA-N 342.479 3.987 0 1 EHAF COC[C@]1(O)CC[C@@H]2C1=C[C@]1(C)CCC(C(C)C)=C1C[C@@H](O)[C@@H]2C 2356754835 PLJKAXMGXOUMBM-ZDJZOETHSA-N 334.500 3.854 0 1 EHAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 1041193 BFZHCUBIASXHPK-QGVNFLHTSA-N 330.468 3.694 0 1 EHAF CC1(C)CN(c2ccccc2)C(=O)[C@@H]1OC(=O)[C@@]1(C)C[C@@H]2C=C[C@H]1C2 5963656 LTORIIULGWJLFO-IXAFZWLNSA-N 339.435 3.574 0 1 EHAF Cc1cc([C@H](c2ccccc2OC(C)C)N2CCN(C)CC2)sn1 28255597 AEVOWZVWPUKAOL-IBGZPJMESA-N 345.512 3.576 0 1 EHAF COc1cc(-c2cc(-c3ccc(F)cc3)[nH]n2)cc(OC)c1OC 28468710 HQLJZRUDHDHKCR-UHFFFAOYSA-N 328.343 3.909 0 1 EHAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(CO)C[C@@]3(CC[C@@H]12)CC4=O 33830118 UMCBUOSDDKCPMZ-YKAMNDFBSA-N 348.483 3.504 0 1 EHAF biogenic,in-vitro CN1CCC[C@H]1COC(=O)c1csc(-c2ccc(Cl)cc2)n1 52748579 DVYLICXCALKSRU-ZDUSSCGKSA-N 336.844 3.715 0 1 EHAF CCc1cnc(-c2cnc(NCCOC)nc2-c2ccccc2)s1 82163338 LAKDZGVUEGRJFC-UHFFFAOYSA-N 340.452 3.888 0 1 EHAF CC1=CN([C@H]2OC(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@H]2C)C(=O)[C@H]2[C@@H](C)CC[C@@H]12 86020742 QTRZXLVUEGDULY-KSJCCWDXSA-N 331.456 3.576 0 1 EHAF in-man COc1ccccc1[C@H]1N(c2cccc([S@](C)=O)c2)C(=O)C1(C)C 169324207 ZTBZNYXBYUHKDP-OSPHWJPCSA-N 343.448 3.547 0 1 EHAF C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCSCC3)[C@@H]2CC/C(C)=C\CC1 169360446 AVMKQDRJSMPYJV-IDMJEPFHSA-N 335.513 3.660 0 1 EHAF COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@H](OC)[C@H]2C)[C@@H]2CCCO[C@@H]21 195294778 KAIRBWGUKDEUFM-PBMQQTRCSA-N 346.398 3.515 0 1 EHAF Cc1noc(C)c1-c1ccc2c(c1)[C@](CCO)(c1ccccc1)C(=O)N2 219446250 WIPIXNYIZGZLMM-NRFANRHFSA-N 348.402 3.579 0 1 EHAF CCCCC[C@@H](O)/C=C/[C@H](O)[C@H]1C[C@@H]1[C@@H]1C/C=C\CCCC(=O)O1 238764403 BUWOMMLMRPPTEZ-KTMWYYIWSA-N 336.472 3.523 0 1 EHAF COc1ccc(OC)c(Oc2ccc3nnc(-c4ccccc4)n3n2)c1 299833986 SKAPKZFIERRURY-UHFFFAOYSA-N 348.362 3.601 0 1 EHAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cncc(Br)c3[nH]2)cc1 586888066 KHMVXJLRXMNDAE-MEBBXXQBSA-N 346.228 3.866 0 1 EHAF O=C(O)c1cccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587077557 WHHDFABPAHTYOC-CQSZACIVSA-N 341.754 3.532 0 1 EHAF Cc1cc(F)c2[nH]c([C@@H](N)Cc3c[nH]c4ccc(F)cc34)nc2c1 587175816 WPGDQBFAAACMNV-AWEZNQCLSA-N 326.350 3.873 0 1 EHAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(N)ncnc3[nH]2)c1 587241045 PDPMWAHSFPTQOL-UHFFFAOYSA-N 345.410 3.545 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nn(C)c3cccc(Cl)c13)O2 587379499 IWDHBDMSDIZDFC-OAHLLOKOSA-N 341.798 3.824 0 1 EHAF Cc1ccc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587385983 GHDNFMNDJCJAGO-GLCJEOIMSA-N 336.435 3.822 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](C)COCc1ccccc1)O2 587399919 KVLUTTKEVNAUQY-IFXJQAMLSA-N 325.408 3.764 0 1 EHAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 587589144 UDVHLKDUPKVMFN-XLIONFOSSA-N 333.343 3.799 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1C[C@@H]2C=C[C@H]1C2 587604946 VYZINUFXSGILQS-OPZVJJFQSA-N 334.371 3.935 0 1 EHAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 587799461 ZKVPQILOFCAHDK-VXJOIVPMSA-N 339.208 3.682 0 1 EHAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCC(=O)O)N1 587831761 XTYVQBCEYBDAIM-VFZGTOFNSA-N 344.224 3.593 0 1 EHAF Cc1cc2c(cc1F)[C@H](c1ccc3c(c1)CCC31OCCO1)NCC2 962092033 LMJFFOAJOBDKGR-FQEVSTJZSA-N 339.410 3.515 0 1 EHAF COc1ccc2c(c1OC)[C@](C)(c1cc(N)ccc1F)N(C)[C@@H](C)C2 962577085 XLWUMDAEWIOGIF-YUNKPMOVSA-N 344.430 3.565 0 1 EHAF COC(=O)[C@]1(C=C2c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@H]2C=CC[C@H]21 1857622545 KKBJCVBSAUGNEH-XXOPDAEVSA-N 328.383 3.912 0 1 EHAF CC=C(C)C(=O)O[C@@H]1CC(C)=CCCC(C)=C[C@@H]2O[C@H](O)[C@H](C)[C@@H]21 2356416423 STIMKRWEFJAFHV-NUABRCLCSA-N 334.456 3.910 0 1 EHAF CC(C)CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(CO)c3C[C@@]2(C)[C@@H]1C 2356428865 AHYLUCJNWGSOAE-AOEPVMTBSA-N 348.439 3.521 0 1 EHAF CC1=CCC[C@@]23O[C@@]4(c5ccoc5)C[C@]2(C)[C@H](C)C[C@@H](O)[C@@]13CO4 2356582713 UQXIOGAOBOQKTA-CKOOPXGMSA-N 330.424 3.755 0 1 EHAF CN(C)C=C(C(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F 2356841728 MGZLZFJNHDGDLV-UHFFFAOYSA-N 326.240 3.652 0 1 EHAF CO[C@@H](CNc1nncc(-c2cc(C)oc2C)n1)c1cccs1 12192591 DQBVCWYYLHWASQ-AWEZNQCLSA-N 330.413 3.610 0 1 EHAF O=C(N[C@@H](CO)c1ccc2ccccc2c1)[C@H]1C[C@H]1c1ccccc1 13976637 ZSCFETLRKPSUJK-ACRUOGEOSA-N 331.415 3.793 0 1 EHAF CCCCC[C@@H](C[C@@H](O)CCc1ccc(O)c(OC)c1)OC(C)=O 15256928 SLEAGHNVFZTGGH-IRXDYDNUSA-N 338.444 3.596 0 1 EHAF endogenous,in-man CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2cccnc2)/C1=C(\O)OCC(C)C 27560911 PGCPQMWCSBRDIJ-JEFCNZTNSA-N 331.372 3.590 0 1 EHAF O=C(CC1=CCCCC1)Nc1cccnc1C(=O)Nc1nccs1 28343710 OXTDZXYXXWIHJW-UHFFFAOYSA-N 342.424 3.619 0 1 EHAF NC(=S)Nc1cccc(OCCCCCOc2ccccc2)c1 40979870 GMDFTGYBYDJDMR-UHFFFAOYSA-N 330.453 3.970 0 1 EHAF CCS(=O)(=O)c1ccc2oc(-c3ccc4ncccc4c3)nc2c1 59098625 DRWOPCAEMCWTGP-UHFFFAOYSA-N 338.388 3.837 0 1 EHAF Cc1ccc(NCc2cn(CCN3CCOCC3)c3ccccc23)cc1 87721947 YWSWVIOYJVPPEO-UHFFFAOYSA-N 349.478 3.894 0 1 EHAF C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CO 98066091 ROFPAWOFLPYVLV-XARLYPIHSA-N 334.500 3.568 0 1 EHAF Clc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1 113134487 YRWKXHJILLPSCF-UHFFFAOYSA-N 328.803 3.641 0 1 EHAF Cc1cc(C)c2nc(CCc3nc(-c4ccccc4)cn3C)nn2c1 113420745 HPYIOPALISFTEY-UHFFFAOYSA-N 331.423 3.532 0 1 EHAF Cn1cc(-c2cccc(F)c2)nc1CSc1nc2ccccn2n1 113422190 ORYAUDKTBDKGBW-UHFFFAOYSA-N 339.399 3.561 0 1 EHAF O=C1O[C@@H](c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2 169347313 AOCRQCFKVGZSSD-GOSISDBHSA-N 342.826 3.726 0 1 EHAF Oc1ccc(C2(c3nc4ccnc(Br)c4[nH]3)CC2)cc1 586896304 PBYRJBJSXIKUDE-UHFFFAOYSA-N 330.185 3.506 0 1 EHAF CC(C)(SCC(=O)O)c1nc2cc(Br)cc(F)c2[nH]1 586960575 VVORZJLRAIZRMD-UHFFFAOYSA-N 347.209 3.517 0 1 EHAF OCc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006455 NXDOINKSDNPIFL-UHFFFAOYSA-N 342.196 3.737 0 1 EHAF Cc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1C 587035595 WFWCUWCMUVNVBS-UHFFFAOYSA-N 325.437 3.660 0 1 EHAF FC(F)(F)c1cccnc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587108056 GOLPOUXXFXITGU-UHFFFAOYSA-N 335.285 3.805 0 1 EHAF COc1nccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587133705 AEADXHDVJHZMRR-IHWYPQMZSA-N 341.239 3.832 0 1 EHAF N[C@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1F 587152011 XUIUGRZWXTVYIQ-LBPRGKRZSA-N 343.255 3.788 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@H]3C(=O)O 587207993 ZTCCJTNSEDUATJ-CQSZACIVSA-N 329.355 3.951 0 1 EHAF CC(=O)Nc1cccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587242501 NIKNZECHFZAXGB-UHFFFAOYSA-N 334.301 3.526 0 1 EHAF COc1cc2c(cc1F)[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 587384826 PJBDXOHLXUQDTH-IBGZPJMESA-N 327.355 3.532 0 1 EHAF CCC[C@@]1(CNC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587388186 XJFJJIXZNDGPDO-IBGZPJMESA-N 348.443 3.606 0 1 EHAF CCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CO 587400956 SPXQXCBVTJFTSY-LJQANCHMSA-N 341.407 3.565 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCOCc1ccccc1)O2 587401254 VCPAVJBHSCJULJ-MRXNPFEDSA-N 325.408 3.908 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1ccccc1)O2 587409502 VYLLTIDSZMLONT-FQEVSTJZSA-N 339.391 3.693 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1nc(C(F)(F)F)cs1)[C@@H](C2)C3=O 587420977 JAWDFBDNQREXPI-ISVAXAHUSA-N 341.310 3.659 0 1 EHAF COc1cc2c3c(c1)O[C@H](CCc1ccc4cnccc4c1)[C@@H](C2)C3=O 587437344 YFSHJJPVJMAQLV-RTBURBONSA-N 345.398 3.992 0 1 EHAF CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]2CCC[C@H]21 587518397 HRAHDOJDQNBEJN-OPYAIIAOSA-N 325.452 3.774 0 1 EHAF Cc1[nH]c(=N)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587532271 PDNSXMIXYRDDCL-SFHVURJKSA-N 328.437 3.623 0 1 EHAF C[C@@H](O)CCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608354 LFCXEMCWEGDWKP-RPVQJOFSSA-N 342.391 3.664 0 1 EHAF COc1ccc(-c2nc3ccnc(Br)c3[nH]2)c(OC)c1C 587788317 XMXOFRNBKPPXOW-UHFFFAOYSA-N 348.200 3.713 0 1 EHAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C)cc1O 587870771 RBODTKKRGPYSRC-UHFFFAOYSA-N 340.354 3.790 0 1 EHAF C[C@]1(C2CCOCC2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962696644 AIYPZJHZTCZOJV-BEFAXECRSA-N 335.488 3.831 0 1 EHAF OCCNc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1 1772648138 NIADPPGZUWDWLZ-UHFFFAOYSA-N 325.799 3.868 0 1 EHAF Cc1cc(OCc2cc(C(=O)NC3CCC3)no2)cc(C)c1Cl 12028145 UVCOEFSJDPQHGZ-UHFFFAOYSA-N 334.803 3.806 0 3 EHAF O=C(Nc1nc2ncccn2c1-c1ccccc1)c1ccc(F)cc1 203465886 TYZRVMCRLRZBOL-UHFFFAOYSA-N 332.338 3.788 0 3 EHAF CC(=O)n1cc([C@H]2C[C@]23N=C(c2ccccc2)OC3=O)c2ccccc21 5884684 COXOBFSHHBLWJW-UTKZUKDTSA-N 344.370 3.531 0 1 EHAF O=C(N[C@@H]1CCc2ccccc21)C(=O)c1c[nH]c2ccc(Cl)cc12 13863235 XMLSLGIGEHCASO-QGZVFWFLSA-N 338.794 3.808 0 1 EHAF CC[C@@]12C=CCN(CCc3c([nH]c4ccccc34)[C@@H](C(=O)OC)C1)C2 14829298 DWRWMNKQJGGHFK-LAUBAEHRSA-N 338.451 3.639 0 1 EHAF biogenic O=C(NCCc1c[nH]c2ccc(O)cc12)Oc1cccc(Cl)c1 14979781 KHMWONIAKIGLAO-UHFFFAOYSA-N 330.771 3.858 0 1 EHAF NCCCCN(Cc1ccccc1)Cc1ccc(Br)o1 27708679 PVWFDIAMMFAJSE-UHFFFAOYSA-N 337.261 3.783 0 1 EHAF C[C@H](Oc1cccc2ccccc12)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28107208 SYHSXECRAFMSGC-QTXGHNMQSA-N 339.435 3.776 0 1 EHAF COc1cccc(Cn2cnc3c(-c4ccco4)nc(Cl)nc32)c1 28475179 VJPXOLQWRJFUSN-UHFFFAOYSA-N 340.770 3.797 0 1 EHAF CC1(C)CC(=O)c2sc(N3CCOC[C@@H]3c3ccccc3)nc2C1 40394953 IYWGYXFIYMCKHV-OAHLLOKOSA-N 342.464 3.876 0 1 EHAF Cc1cccc(Oc2ccc(C[C@H]3SC(=O)NC3=O)cc2)c1C 45369319 MJGSDABPIANMFV-MRXNPFEDSA-N 327.405 3.990 0 1 EHAF CCCCn1c(=S)sc2c1ncn1nc(-c3ccco3)nc21 49109931 QHFYRCHXHNWYCV-UHFFFAOYSA-N 331.426 3.930 0 1 EHAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccncc4)cc3)[nH]c2c1 64511875 HZBKWRLKOSIYKI-UHFFFAOYSA-N 349.415 3.695 0 1 EHAF CCS(=O)(=O)c1ccc2oc(-c3cnc4ccccc4c3)nc2c1 71319011 GPFCPRWSBJKPMD-UHFFFAOYSA-N 338.388 3.837 0 1 EHAF O=C(Nc1nc(-c2ccccc2)co1)c1n[nH]cc1-c1ccccc1 95559159 JDCQYDQKTPMFQK-UHFFFAOYSA-N 330.347 3.984 0 1 EHAF C[C@@H]1CC[C@]2(C)[C@H](CCC[C@]23CO3)[C@@]1(C)CC/C(=C\C(=O)O)CO 143402657 KNYPFBUQFMDBJP-HMLTUBBKSA-N 336.472 3.782 0 1 EHAF COc1cccc(S(=O)(=O)Nc2ccc(-c3cccnc3)cc2)c1 299831338 YOLKZESUPOQGBJ-UHFFFAOYSA-N 340.404 3.558 0 1 EHAF Clc1ccc(OCc2nc3cccnc3[nH]2)c(Br)c1 586977442 VYEKNWCDQDNEKD-UHFFFAOYSA-N 338.592 3.953 0 1 EHAF COC(=O)c1ccnc2nc(-c3ccc(-c4nccs4)s3)[nH]c12 587023546 LLOQRQOTWDSUGN-UHFFFAOYSA-N 342.405 3.597 0 1 EHAF Cc1c(-c2nc3ccc(CO)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075636 KETDQTYORZRVEP-UHFFFAOYSA-N 338.798 3.870 0 1 EHAF CC[C@H](C)n1cc(Cl)c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)n1 587080869 UJQHZXBCKKKFPO-LURJTMIESA-N 344.728 3.860 0 1 EHAF FC(F)(F)Oc1cccc(CSCc2nc3ncc[nH]c-3n2)c1 587122417 LNNKJVUCFLIHAT-UHFFFAOYSA-N 340.330 3.637 0 1 EHAF CN(C)CCOc1ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1 587129971 AQDHLNUNSDOJRI-UHFFFAOYSA-N 347.365 3.772 0 1 EHAF CCO[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351680 GXQGRHCEEWNYJO-GGPKGHCWSA-N 342.366 3.828 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(Br)n1)O2 587371623 HBPWGUSGAJCSEO-INIZCTEOSA-N 347.212 3.615 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C(F)(F)F)cs1)O2 587383666 UZPIIWWWRPBHGZ-JTQLQIEISA-N 328.315 3.759 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H](N=O)[C@H]2CC[C@]1(C)C2(C)C 587386356 INTUQTLNVGUJQD-BYIJLXJXSA-N 328.412 3.872 0 1 EHAF CCOc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587397790 BAAWDUIQBPQHHE-KRWDZBQOSA-N 327.380 3.691 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1nc(Cl)ccc1Cl)[C@@H](C2)C3=O 587421179 KOAREIQVQIQNOS-FVMDXXJSSA-N 336.174 3.886 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(C)cc(C)c(CO)c1C)[C@@H](C2)C3=O 587450000 LLDYSFZUEOSJBI-BTYIYWSLSA-N 338.403 3.601 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1cnc4ccsc4c1)[C@@H](C2)C3=O 587452417 MUSZOVBVOZLIAJ-DJJJIMSYSA-N 337.400 3.968 0 1 EHAF CCCc1c(O)ccc2c1O[C@@H](c1cnc([C@@H](C)O)s1)CC2=O 587495479 OSNHSXOVJKFFGT-YMTOWFKASA-N 333.409 3.561 0 1 EHAF CCOC(=O)[C@@H]1[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C 587522872 INXPNVMNKFXXPV-SQNIBIBYSA-N 342.435 3.735 0 1 EHAF O=C(Cc1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O 587651955 SDWKIHYVDFLLQX-UHFFFAOYSA-N 333.174 3.586 0 1 EHAF CC(C)O[C@@]1(c2ccccc2)Sc2ccccc2-n2c1noc2=O 653888073 USBJZXFGAJRZRY-SFHVURJKSA-N 340.404 3.557 0 1 EHAF COc1ccc2c(c1OC)[C@](C)(Cc1ncccc1C)N(C)[C@@H](C)C2 962571988 PMGPDIMCRQJDHJ-BTYIYWSLSA-N 340.467 3.742 0 1 EHAF COc1ccc2occ([C@@H]3NCCc4c3sc(C)c4C)c(=O)c2c1 963012166 PYLGNLZHDFDWTR-KRWDZBQOSA-N 341.432 3.715 0 1 EHAF Cc1ccnc2c1CCN[C@@H]2c1cccc(C(F)(F)C(F)(F)F)n1 963065380 DIDOMHWFGJWMAW-CQSZACIVSA-N 343.299 3.674 0 1 EHAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cc2c(cc1N)OCO2 963222505 BKVKZFHJZDIBEJ-SZNDQCEHSA-N 338.451 3.918 0 1 EHAF O=C(Nc1nccnc1OCc1ccccc1)NC1CCCCCC1 1191240820 DMGJJKWUWHCYOP-UHFFFAOYSA-N 340.427 3.900 0 1 EHAF C[C@H](C(=O)O)c1ccc2c(c1)CC[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 2356351264 TVEXIRVZQLABEX-GOORORONSA-N 330.424 3.970 0 1 EHAF CC1(C)Oc2cc3c(cc2C[C@@H]1O)[C@@H]1Oc2cc(O)ccc2[C@@H]1CC3 2356615848 NCIDZOIOOOCWGG-RYGJVYDSSA-N 338.403 3.630 0 1 EHAF CCC(CC)C(=O)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 1364331 NCECZKCKWPVKCN-CYBMUJFWSA-N 333.457 3.940 0 3 EHAF Cc1cc(NCCN2[C@H]3CCC[C@@H]2CC3)nnc1-c1ccccc1O 5948 JFRJXKLPHVKXSH-IYBDPMFKSA-N 338.455 3.586 0 1 EHAF CN(C)CCCN1C(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccco1 13553542 GTOFKQKNYGAZDA-MRXNPFEDSA-N 333.819 3.822 0 1 EHAF CSc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1 13581143 BZIHDTKDCIILSI-UHFFFAOYSA-N 338.480 3.607 0 1 EHAF CN1CCN(C2=Nc3cccnc3Sc3ccc(Cl)cc32)CC1 13734583 VICVODAUYHWJHA-UHFFFAOYSA-N 344.871 3.525 0 1 EHAF CCNc1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12 13741049 JTFNUFGDWSUVCP-UHFFFAOYSA-N 345.424 3.677 0 1 EHAF C/C=C1\CO[C@@](C(=O)NC)(C(F)(F)F)C=C1C=C1CCCCC1 13828920 QTNKGQNXYDCASC-JORANLSZSA-N 329.362 3.827 0 1 EHAF O=C(N[C@@H](CO)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1ccccc1 13976636 ZSCFETLRKPSUJK-HKBOAZHASA-N 331.415 3.793 0 1 EHAF CN(CC[C@@H](Oc1ccccc1Cl)c1ccccc1)CC(=O)O 26155797 TZMCTDXYJFLGTR-MRXNPFEDSA-N 333.815 3.867 0 1 EHAF CC[C@@](C)(O)c1cccc(CN2CCN(c3ccccc3C)CC2)c1 27421571 WQPFBCPXUKGSFE-JOCHJYFZSA-N 338.495 3.935 0 1 EHAF CN1CCN(c2nc(-c3ccccc3)cc3c(N(C)C)cccc23)CC1 27523418 LVIPDHQIBOMSFK-UHFFFAOYSA-N 346.478 3.720 0 1 EHAF CCC(=O)N(c1ccc(Br)cc1)[C@H]1CCC[C@@H]1N(C)C 28242126 VLKLBMVYCDBBDP-GJZGRUSLSA-N 339.277 3.675 0 1 EHAF O=C(CCc1ccc(-c2ccc[nH]2)cc1)Nc1ccccc1C(=O)O 28863438 LOXIIFXEHPKKJK-UHFFFAOYSA-N 334.375 3.951 0 1 EHAF CC[C@@H](O)CCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(CO)=C[C@@H]21 29234539 TVERZASQEULZFR-BRWVUGGUSA-N 346.467 3.679 0 1 EHAF O[C@]1(Cc2ccc3ccccc3c2)c2ccccc2C2=NCCCN21 34821445 CGNWISKVGHJHDK-JOCHJYFZSA-N 328.415 3.694 0 1 EHAF O=C(O)CCN[C@H]1CC[C@]2(Cc3ccccc3Cc3ccccc32)C1 43202655 NWCYKTKORNLIRC-UGKGYDQZSA-N 335.447 3.688 0 1 EHAF COc1cc2nncc(-c3ccc(N(C)C(C)C)nc3)c2cc1OC 73295693 SMECEYNWJHKOJR-UHFFFAOYSA-N 338.411 3.554 0 1 EHAF Cc1ccc(NC(=O)Nc2cccc3c2[C@@H]2CCCCN2C3=O)nc1 118083213 URMALQKFRQFSGH-HNNXBMFYSA-N 336.395 3.715 0 1 EHAF CC(=O)Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(C)[C@@H](C2)[C@H]1C 299848885 OLZYQTRFIDAFCG-YDFBLROQSA-N 335.447 3.794 0 1 EHAF CCN(CC)C(=O)C[C@H](CO)c1cccc(OCc2ccccc2)c1 473154709 KPIXRFRSISCYIH-LJQANCHMSA-N 341.451 3.600 0 1 EHAF Cc1c(-c2ccn(C)n2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987704 RBZCEECSZPOREO-UHFFFAOYSA-N 341.370 3.861 0 1 EHAF C[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)n1cc(Cl)cn1 587080111 ROMRYUMEQGRFMN-ZETCQYMHSA-N 330.697 3.921 0 1 EHAF O=C(CCCc1nc2cncc(Cl)c2[nH]1)c1ccc(Cl)cn1 587081504 ASWKWVKTVDQOHP-UHFFFAOYSA-N 335.194 3.865 0 1 EHAF COc1cc(Cc2cc3c4c(cccc4n2)CC3)cc(OC)c1OC 587213667 JYKASGBXXKEINO-UHFFFAOYSA-N 335.403 3.950 0 1 EHAF COc1ccc(C)cc1NCCCc1nc2cc(Cl)cnc2[nH]1 587229097 NWVKUJQUGOWOHZ-UHFFFAOYSA-N 330.819 3.973 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-n1cccn1)O2 587389639 BTJYWQVLOKAPSP-FQEVSTJZSA-N 333.391 3.644 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1cc(F)cc4cccnc14)[C@@H](C2)C3=O 587426313 BDNRVDSRYHUANY-YWZLYKJASA-N 335.334 3.871 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)nn1C)[C@@H](C2)C3=O 587433373 WYJZVIDAVIZHJC-BTYIYWSLSA-N 346.386 3.584 0 1 EHAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@@H]2C[C@H]4[C@H]3[C@H]21 587487643 HCBZJVGSYXVATD-VFUATWKCSA-N 336.431 3.827 0 1 EHAF Cn1cnc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc21 587515694 OJKSMALIKCKHIA-SFHVURJKSA-N 333.391 3.554 0 1 EHAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C2CC2)[nH]n1 587596316 QTUXJTHQSAVBSG-PXNSSMCTSA-N 348.358 3.696 0 1 EHAF CSCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614701 USDCDQYNGPISGY-ZBFHGGJFSA-N 330.405 3.866 0 1 EHAF CC1(C)C[C@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587614905 DPCPTBFTIZPLLG-JXFKEZNVSA-N 340.375 3.682 0 1 EHAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1 587783807 AOFKAWWJKUNKNR-VXGBXAGGSA-N 327.771 3.555 0 1 EHAF COc1ccc(CCCc2nc3ccc(C(C)=O)cc3[nH]2)cc1OC 587924767 FORCWLYFPZPMGV-UHFFFAOYSA-N 338.407 3.958 0 1 EHAF Cc1c(F)ccc2c1[C@@]1(CCN(Cc3ccccc3)C[C@@H]1F)NCC2 962373969 KTPVVPNDKWAYQR-FPOVZHCZSA-N 342.433 3.719 0 1 EHAF CCC=CCC=C[C@@H](O)C=CC=C[C@@H](O)CC=CCCCC(=O)O 2356312530 FDYMHNXREDVQBG-MOPGFXCFSA-N 334.456 3.934 0 1 EHAF CC1(C)CC(=O)C2=C(C1)NNC(c1ccc(Br)cc1)=C2 2539516 GJRPOZUVUCVXMJ-UHFFFAOYSA-N 333.229 3.541 0 1 EHAF CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)[nH]1 28220062 RPMJUQDNSLWRAE-UHFFFAOYSA-N 332.812 3.801 0 1 EHAF CN(C)CCCCCNC(=O)c1ccc(Oc2ccccc2)cc1 28654119 YVMNRFOOTWSIIZ-UHFFFAOYSA-N 326.440 3.941 0 1 EHAF CNc1nc2cc(-c3cccc(C(=O)O)c3)sc2n2c(C)cnc12 28950779 BZXWGXXSVTXQQR-UHFFFAOYSA-N 338.392 3.659 0 1 EHAF CC(=O)N1CCC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 36080166 PAPPHBRFOXAGKW-XITMGRHOSA-N 333.516 3.991 0 1 EHAF CCOC(=O)c1cc(COc2ccnc3cc(Cl)ccc23)on1 40913917 QQPWPXXTUDLSGO-UHFFFAOYSA-N 332.743 3.632 0 1 EHAF COc1cccc(-c2cc(NCCc3ccccc3OC)ncn2)c1 82161144 DVMYOBUTOQEYNQ-UHFFFAOYSA-N 335.407 3.815 0 1 EHAF Fc1cccc(CCNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1 84634529 OQQNZQAJQCETFT-UHFFFAOYSA-N 338.390 3.614 0 1 EHAF CN1C[C@@H]2C[C@@H]1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 103017545 GVNGZGPVJXWAOP-DBVUQKKJSA-N 335.447 3.628 0 1 EHAF CC1=C[C@@H]2OC(=O)C(C)=C2CC[C@H](C)[C@H]2CC[C@](C)(O)[C@H](CC1)O2 299807823 UIXXPUQGCNBHRT-XQRAHMFLSA-N 334.456 3.683 0 1 EHAF Cc1cc(NCc2ccc(Cl)cc2)c2cccc(C(N)=O)c2n1 473095105 XDIFUYRFLKFCHO-UHFFFAOYSA-N 325.799 3.908 0 1 EHAF CC(C)(C)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2n1 586924178 KGMGGUGRUCFLRP-QXMHVHEDSA-N 341.436 3.700 0 1 EHAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 586938468 KACIIQAIGRSCGE-ZDUSSCGKSA-N 343.452 3.615 0 1 EHAF C[C@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC[C@H]1O 586992854 YURCREZYTWYUID-MEBBXXQBSA-N 331.371 3.562 0 1 EHAF 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DLAJTAKUMNWEHT-UHFFFAOYSA-N 339.416 3.972 0 1 EHAF CCCc1cc(O)n2nc(COC)c(-c3ccc(Cl)cc3)c2n1 253496263 LJPBKEOINHOECG-UHFFFAOYSA-N 331.803 3.854 0 1 EHAF COC(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587153411 ZSZYBSODBVMMSG-NWDGAFQWSA-N 328.318 3.899 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)n1C)O2 587384287 ZNQUFGMNBMTYLW-MRXNPFEDSA-N 338.329 3.815 0 1 EHAF C/C(=C\[C@@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C 587412515 IRRRDDHALIBKKI-QHSLDKKCSA-N 342.464 3.965 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cncc1Cl)[C@@H](C2)C3=O 587421864 NXJSKHRTBCVRFJ-FVMDXXJSSA-N 336.174 3.886 0 1 EHAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)cc(F)cc1F)[C@@H](C2)C3=O 587424903 XNBZLXCPJBOTJN-BBATYDOGSA-N 334.293 3.775 0 1 EHAF CC[C@H](CCC(=O)OC)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527002 VSTOXHQTHLKWBD-ACJLOTCBSA-N 330.424 3.879 0 1 EHAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1F 587566895 BBSQSZHOULDDFN-QAPCUYQASA-N 337.306 3.629 0 1 EHAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(-c3ccccn3)c2c1 587649795 KOMUWDJFCJUTGW-UHFFFAOYSA-N 340.326 3.652 0 1 EHAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccn2C)N1 587754980 NKSJICGBLFXFCQ-QLJPJBMISA-N 337.236 3.724 0 1 EHAF Cc1ccc(C)c(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 587958708 HMGBQRTZXAIQEX-UHFFFAOYSA-N 334.467 3.522 0 1 EHAF CCOC(=O)[C@H]1[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)c1cccs1 653823881 XNJXEEMFEIOKBW-BBWFWOEESA-N 344.432 3.922 0 1 EHAF Cn1cccc1CN1CCc2sccc2[C@@]12CCn1cccc1C2 962374263 OVXMMHBFUGHQOD-FQEVSTJZSA-N 337.492 3.788 0 1 EHAF CCO[C@H](C)n1nccc1[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963117444 DZGNCUJEKNGLPU-QLJPJBMISA-N 340.254 3.980 0 1 EHAF CC(=CCCC(=CCCC(C)=CCCC1=CC(=O)OC1)C(=O)O)CO 2356460563 ADBUIFPZNQVMPU-UHFFFAOYSA-N 348.439 3.706 0 1 EHAF CC(=CCO)CC[C@@H]1[C@](C)(O)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]12C 2356710484 GFYNKSLVMQVEBT-ORFRNNEJSA-N 338.488 3.764 0 1 EHAF CC1=CCC[C@](C)(O)[C@H]2C[C@@H](C[C@H](O)C(C)=CCC1)[C@H](C)C(=O)O2 2356796527 NIVAIWZASBWDAD-VBRUWADQSA-N 336.472 3.523 0 1 EHAF COc1cccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C)c1 74373012 IFMJRHJBQQWXGM-UHFFFAOYSA-N 333.395 3.726 0 3 EHAF O=C1C[C@@H](C(=O)Nc2nc3ccccc3s2)[C@H](c2ccccc2)O1 313153 TTWZTCDMSWDUJX-WBMJQRKESA-N 338.388 3.539 0 1 EHAF COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@@]12Cc1cccc(C)c1C2=O 5542393 PBHZKZJCBJXNHD-KKSFZXQISA-N 348.402 3.817 0 1 EHAF CN(CCCOc1ccc(Cc2ccsc2)cc1)CCC(=O)O 13475305 WSHWIOIPTHKMJC-UHFFFAOYSA-N 333.453 3.514 0 1 EHAF CN(C)C(=O)N1N=C(c2cc(F)ccc2F)C[C@@H]1c1ccccc1 28525184 OJTLBPPHFFUINF-QGZVFWFLSA-N 329.350 3.798 0 1 EHAF CN(C)Cc1cc(C(N)=O)ccc1Cc1ccc(Cl)c(Cl)c1 40933690 XKDQGWQMRLNJCO-UHFFFAOYSA-N 337.250 3.745 0 1 EHAF CN1C[C@@](O)(c2ccc(-c3ccccc3F)cc2)O[C@H]2CCCC[C@@H]21 40955382 DVRJPNBGRUZGDS-ACRUOGEOSA-N 341.426 3.911 0 1 EHAF C[C@]1(O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 118933912 RVRUDXHMJRUDLB-CCOGIYSMSA-N 332.484 3.645 0 1 EHAF CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CNC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169309902 UOHCSROFYMVISA-FEKDWZMTSA-N 347.499 3.687 0 1 EHAF c1ccc2c(c1)CCc1cccc3c1[C@H]2CN1CCC2(C[C@@H]31)OCCO2 169343278 CRCTWIPLJVSFOL-SFTDATJTSA-N 347.458 3.811 0 1 EHAF CN1[C@H]2CC[C@H]1[C@@H]([C@@H](O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2 169359530 FSULAQVXMVICFX-AIEDFZFUSA-N 333.781 3.830 0 1 EHAF CC1(C)OC(=O)C[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586907998 ITJWYBPLMRNQFA-AWEZNQCLSA-N 334.375 3.603 0 1 EHAF Cc1cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2cc1Br 587022829 ZRDCUVYJTFWNAO-SSDOTTSWSA-N 338.230 3.811 0 1 EHAF O=C(NCc1nc2cccc(Cl)c2[nH]1)c1cc2c(s1)CCC2 587034796 LSOMCFQPVMWDSO-UHFFFAOYSA-N 331.828 3.697 0 1 EHAF Fc1cc2[nH]c(-c3cnc(Cl)nc3)nc2cc1Br 587086074 RFBJMZPCAIVZDC-UHFFFAOYSA-N 327.544 3.575 0 1 EHAF CCN(CC)C(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104665 UDEHQYUBAAPAKN-UHFFFAOYSA-N 344.414 3.857 0 1 EHAF COc1cc(OC)c2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc2c1 587127310 WMJPZROGZCJRQH-UHFFFAOYSA-N 344.333 3.520 0 1 EHAF Cc1ccnc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 587168441 WIEMQYUNTNWRQP-CQSZACIVSA-N 339.374 3.774 0 1 EHAF Clc1c[nH]c2nc(-c3ccc(CNCc4ccco4)cc3)nc-2n1 587231823 GBOHWYDTOACXHX-UHFFFAOYSA-N 339.786 3.508 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1[C@@H](C(=O)OC(C)(C)C)C1(C)C)O2 587401977 ULDJIGYEDDVIOC-OAGGEKHMSA-N 345.439 3.525 0 1 EHAF COc1cc2c3c(c1)O[C@@H]([C@](C)(Cl)c1ccccc1)[C@@H](C2)C3=O 587416774 FDTAIROTSWNBQB-GDIGMMSISA-N 328.795 3.965 0 1 EHAF Cc1nn(C)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497069 FIMAMBIHJQVALD-HNNXBMFYSA-N 330.815 3.967 0 1 EHAF CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cccnc1 587632603 LKTVJMNAXRAZJY-UHFFFAOYSA-N 346.745 3.763 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2OCCC2(C)C)N1 587828832 AAPRGHRLDIVNFC-DFKRKDTASA-N 342.252 3.979 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnsc2)N1 587858202 PFESZPQHYORKID-UHLUBPPHSA-N 327.222 3.668 0 1 EHAF NS(=O)(=O)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587967659 IEHPCMSCNNMZDX-FLIBITNWSA-N 349.415 3.534 0 1 EHAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1c2ccc(C)c1C 962939972 CQFKRWOYPZVSHR-FPTDNZKUSA-N 345.446 3.905 0 1 EHAF Cc1oc(-c2cccs2)nc1[C@@H]1NCCc2nc3ccccn3c21 962987446 WMVGPWMOYKYMDL-INIZCTEOSA-N 336.420 3.594 0 1 EHAF COc1ccc2c(=O)c([C@@H]3NCCc4c3sc(C)c4C)coc2c1 963013963 SHWVUVNYUWLNSS-KRWDZBQOSA-N 341.432 3.715 0 1 EHAF CN(C)c1ccc([C@H]2Cc3nnc(O)c4cccc5[nH]c(c3c54)C2)cc1 1772645286 NAIANWLEXAZZRE-CYBMUJFWSA-N 344.418 3.765 0 1 EHAF CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356284708 RCFJDVCRANOZEL-BCRJPVCJSA-N 330.468 3.838 0 1 EHAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]56CCC[C@@H]5C=CC[C@@](C4)([C@@]21O)[C@@]36C 2356360404 FOIFJBGPWIMXPK-FDRSDSFSSA-N 342.479 3.987 0 1 EHAF C[C@@]12C(=O)N(c3ccc(F)cc3)C(=O)N1CCc1c2[nH]c2ccccc12 2112299 LOKVLDDPPVASJT-HXUWFJFHSA-N 349.365 3.547 0 1 EHAF biogenic O=C(O)[C@@H]1CS[C@@H](c2cccc(OCc3ccccc3Cl)c2)N1 2472447 AGTMYOZRLWANDT-HOTGVXAUSA-N 349.839 3.707 0 1 EHAF CC1=C2CC/C(C)=C/CC[C@](C)(O)[C@H](O)CC/C(C)=C/[C@@H]2OC1=O 15049274 KISXSEZMRISOQB-STGNWYMPSA-N 334.456 3.587 0 1 EHAF O[C@H](c1ccccc1)c1ccc(OCCO[C@H]2CCCCO2)cc1 26390655 SNTZEXZITQEAJL-VQTJNVASSA-N 328.408 3.690 0 1 EHAF CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@@H]1O 27425718 XRDHAXIOHKTIGF-VOCXKCLISA-N 338.488 3.567 0 1 EHAF C[S@@](=O)c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 28464462 PXYKBLUVLPAXCV-FWTSAEBWSA-N 332.465 3.555 0 1 EHAF O=C(/C=C1\C[C@@H](C(=O)O)Nc2cc(Cl)ccc21)Nc1ccccc1 28823016 BBWWOCJHBMIAOY-SOGBHIHOSA-N 342.782 3.631 0 1 EHAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 29476997 GFZHKWGREZBWQT-ITGOXPRASA-N 339.479 3.589 0 1 EHAF CC(C)C[C@H](NO)c1c[nH]c2ccc(I)cc12 71331196 QVMLBUPYXLUVCB-ZDUSSCGKSA-N 344.196 3.839 0 1 EHAF CNC(=O)c1ccc(C)c(-c2ccc3c(c2)NC(=O)C32CCCC2)c1 72109791 LZGGNMPDVLXLQT-UHFFFAOYSA-N 334.419 3.786 0 1 EHAF CC(C)C[C@H]1CN(C/C=C/c2ccccc2)[C@@H](CC(C)C)C(=O)N1 103267066 MGBPHPOLBIQZRB-BNLMJFGMSA-N 328.500 3.961 0 1 EHAF C[C@@]1(O)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 118933914 RVRUDXHMJRUDLB-VZFHKOHWSA-N 332.484 3.645 0 1 EHAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)cnc3[nH]2)cc1 586887441 IDCQZAJCQBDGCT-IINYFYTJSA-N 346.228 3.866 0 1 EHAF CC[C@H](O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586900753 LOYUBFZOCRKEFN-ZETCQYMHSA-N 339.111 3.667 0 1 EHAF COc1cc(/C=C/c2nc3cccnc3[nH]2)ccc1Br 586976610 GSBUCHDUSINDTM-FNORWQNLSA-N 330.185 3.899 0 1 EHAF C[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989726 DADBOCCCGPRPIG-SNVBAGLBSA-N 329.355 3.771 0 1 EHAF N=c1[nH]c(-c2cccc(-c3nc4ccc(Cl)nc4[nH]3)c2)cs1 587021408 KYCPWFVKKZSZCP-UHFFFAOYSA-N 327.800 3.814 0 1 EHAF C[C@H]1CCc2sc(-c3nc4cc(S(C)(=O)=O)ccc4[nH]3)cc2C1 587032949 DDVLPHBHUWRFBX-JTQLQIEISA-N 346.477 3.820 0 1 EHAF OCCc1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068312 PXKSQIGGYYNWTP-UHFFFAOYSA-N 338.798 3.808 0 1 EHAF Cc1ccc(Cc2nc3cnc(Cl)[nH]c-3n2)cc1C(F)(F)F 587095224 SEDOBMHENZMFQT-UHFFFAOYSA-N 326.709 3.876 0 1 EHAF Fc1cc(C(F)(F)F)ccc1-c1nc2c(S)nc(S)nc2[nH]1 587110160 USKHCLCPGDCKTM-UHFFFAOYSA-N 346.334 3.755 0 1 EHAF COc1c(F)ccc(-c2nc3ccc(Br)cc3[nH]2)c1N 587132550 DAIRBYIOGZERFJ-UHFFFAOYSA-N 336.164 3.722 0 1 EHAF CCCc1nc(-c2nc3c(O)cccc3[nH]2)nn1-c1ccccc1F 587156553 VJPOVJLIQKLLQQ-UHFFFAOYSA-N 337.358 3.608 0 1 EHAF Cc1c(NC(N)=O)cccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587241115 ZOWQDOSPKOSRBI-UHFFFAOYSA-N 336.182 3.731 0 1 EHAF CN(C)/C=C/[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337671 OIPNVVBHPHUDNG-YDBWALOYSA-N 341.382 3.724 0 1 EHAF C[C@]1([C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360485 VNEGSTNKPWULOM-QWFCFKBJSA-N 342.366 3.828 0 1 EHAF COc1cc2c3c(c1)O[C@](C)(c1ncccc1C(F)(F)F)[C@@H](C2)C3=O 587421703 RDDPJQFVGPJAKZ-SJCJKPOMSA-N 349.308 3.772 0 1 EHAF COc1cc2c3c(c1)O[C@H](CCCOCc1ccccc1)[C@@H](C2)C3=O 587442530 QCFRYUPJYMBZDK-QZTJIDSGSA-N 338.403 3.808 0 1 EHAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1cccs1)[C@@H](C2)C3=O 587451300 MURGMVQVSMOBQQ-BBATYDOGSA-N 338.388 3.636 0 1 EHAF N=c1[nH]oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 587512308 WRAJRWYBVLHASL-GOSISDBHSA-N 334.375 3.826 0 1 EHAF Cc1cncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587585697 GZTSWXKYJAAVRS-RXVVDRJESA-N 347.370 3.973 0 1 EHAF COc1cccc(CCc2nc3cc(Br)c(C)nc3[nH]2)c1 587932466 XXENCLULGGFRAQ-UHFFFAOYSA-N 346.228 3.823 0 1 EHAF C[C@]1(c2cccc3c2OCO3)c2c(F)cccc2C[C@H]2CCCN21 963098092 FZTTVLOLYJOXNH-VLIAUNLRSA-N 325.383 3.838 0 1 EHAF COC(=O)c1c(F)cccc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963100773 JKHIWLTXWQLXRK-AUUYWEPGSA-N 343.373 3.861 0 1 EHAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cccn1C[C@@H]1CCCO1 963259031 QRRPXULASOGEPQ-ORAYPTAESA-N 346.858 3.564 0 1 EHAF O=S1(=O)C=C(Sc2nnc(C3CCCCC3)o2)c2ccccc21 1857654703 JEMFBNXWGQFGEB-UHFFFAOYSA-N 348.449 3.995 0 1 EHAF Cc1ccccc1NC(=O)c1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C 1857755502 MOQPLCMFEQIORO-CQSZACIVSA-N 349.434 3.581 0 1 EHAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCCCC1 2356683659 BOLOFLCETUTRNB-LLVKDONJSA-N 334.803 3.674 0 1 EHAF CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCCCC1 95567316 CJTPVDICPXUYHY-SFHVURJKSA-N 339.443 3.795 0 3 EHAF COc1cc(CNC(=S)N/C=C/c2ccc(Cl)cc2)ccc1O 13604986 QEXGENGEJFFRFX-CMDGGOBGSA-N 348.855 3.689 0 1 EHAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ccccn2)/C1=C(\O)OC(C)(C)C 27558833 XHBDIQDATGVISG-LBFFYKKLSA-N 331.372 3.733 0 1 EHAF CCN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C2 28109567 ZFYZETKHCWUZHQ-XIWBLNCNSA-N 337.847 3.666 0 1 EHAF O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCc2ccccc21 29069755 FPQZFCVFBLEELM-UHFFFAOYSA-N 325.311 3.696 0 1 EHAF O=C(O)[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)c1ccccc1 37659925 CNHXSGMNROJBDS-GOEBONIOSA-N 347.823 3.681 0 1 EHAF COc1ccc2c3c1O[C@@H]1CC[C@H](C)[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 40461397 ZBWRAFCZORHKCH-GEADCETCSA-N 339.479 3.781 0 1 EHAF CC(=O)Nc1cccc(Oc2cc(NC3CCCCC3)ncn2)c1 82067532 SAKTWSVFOLCXEB-UHFFFAOYSA-N 326.400 3.972 0 1 EHAF COc1ccc([C@@H](O)c2nnc(Nc3c(C)cccc3C)s2)cc1 82083463 HPHSAIXONMSZDM-MRXNPFEDSA-N 341.436 3.989 0 1 EHAF O=C(N1CC[C@H](c2c[nH]c3cnccc23)C1)C1(c2ccc(F)cc2)CC1 84687135 YNEHVPJKYXKMTG-AWEZNQCLSA-N 349.409 3.750 0 1 EHAF COc1cc([C@H](C)C(=O)NCCCc2ccc(C)c(C)c2)ccc1O 84687863 IEUGVHZUTZSNDR-INIZCTEOSA-N 341.451 3.870 0 1 EHAF C[C@@H]1C[C@@H]2CCC[C@@H]2[C@@]2(O1)C(=O)Nc1cccc(Br)c12 169355907 PPUCNCZUATVEEY-INLINHOESA-N 336.229 3.822 0 1 EHAF C/C=C(\C)C(=O)O[C@H]1C/C(C)=C/CC[C@]2(C)O[C@H]2[C@H](O)[C@H]1C(C)C 238789507 ULRHOYLBAZFSHH-QBKOVECKSA-N 336.472 3.785 0 1 EHAF CCCCNS(=O)(=O)c1ccc2nc(C3(CCC)CCC3)[nH]c2c1 586877668 JTANYSFJRBCHAQ-UHFFFAOYSA-N 349.500 3.863 0 1 EHAF Oc1ccccc1C1(c2nc3ccc(Br)nc3[nH]2)CC1 586897063 QFAUOWNCULLMDF-UHFFFAOYSA-N 330.185 3.506 0 1 EHAF Fc1cc2nc(-c3ccc(Br)o3)[nH]c2cc1-n1cccn1 587008353 UFIGIEDOSOZVCC-UHFFFAOYSA-N 347.147 3.910 0 1 EHAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCO4)n1 587079583 LHXBXMRQGOPCMD-SECBINFHSA-N 332.791 3.822 0 1 EHAF CCOC(=O)Cc1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587108259 YOWUVOAVQHEKKC-UHFFFAOYSA-N 331.371 3.860 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCO[C@H](F)C2)[C@H]1c1ccc(F)cc1 587340739 VROIYFUAHADJNQ-LNLFQRSKSA-N 346.329 3.735 0 1 EHAF Oc1nc(O)c2cc3c(nc2n1)[C@H](c1ccc(Cl)cc1)CCCC3 587368171 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14823658 OMQCFSSTPCOICJ-CSODHUTKSA-N 342.435 3.777 0 1 EHAF biogenic CCOc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCCCC2 28228332 FYVASJUGPDCHSW-UHFFFAOYSA-N 335.407 3.628 0 1 EHAF CCC[C@H]1C[C@H]2[C@H](CC(=O)OC)[C@H](Cc3ccccc3)C[C@@H]1N2C 36177349 NYHLSJFRSGAHTE-MDMHHNQBSA-N 329.484 3.917 0 1 EHAF COc1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1F 45201429 WFFGGONSESBFEY-SJKOYZFVSA-N 337.822 3.742 0 1 EHAF CCc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1 49033849 YVHLXYXUEUOZHQ-UHFFFAOYSA-N 345.346 3.649 0 1 EHAF C[C@H](C(=O)N1Cc2ccccc2C[C@]2(CCCN2C)C1)c1ccccc1 71990450 HHPPBQMUPUVPIW-FDDCHVKYSA-N 348.490 3.839 0 1 EHAF Cc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1 72123590 SEXVTVLAOYMVCU-UHFFFAOYSA-N 333.439 3.663 0 1 EHAF O=C1NC(=O)[C@@H](c2ccccc2Cl)C[C@@H]1c1ccccc1Cl 73197067 KKWIFGXARFNIBA-CHWSQXEVSA-N 334.202 3.907 0 1 EHAF CCc1nc(C(=O)NCc2cccc(OC(F)(F)F)c2)cs1 82074752 XAVFCDIWJUNAMF-UHFFFAOYSA-N 330.331 3.534 0 1 EHAF Cc1cnc(N2CCC[C@@H]2C)nc1NCCCN(C)c1ccccc1 82202483 AKLDJFCLLCYDKP-KRWDZBQOSA-N 339.487 3.712 0 1 EHAF Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(C(F)(F)F)cc1 225948156 QVMZIUFZNIYZPB-UHFFFAOYSA-N 347.296 3.866 0 1 EHAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccc(C)cc2O[C@@H]31 473088701 JKBDSFMOALSOOM-FQEVSTJZSA-N 334.375 3.574 0 1 EHAF O=C1CCC(c2ccccc2)(c2nc3cc4c(cc3[nH]2)OCO4)CC1 586877826 RDPLJJIBRFKWRJ-UHFFFAOYSA-N 334.375 3.721 0 1 EHAF CCOC(=O)c1nc2ccc(O)c3c2c(c1CC)-c1ccccc1C3=O 586989684 OVGYVKKLSSGGFG-UHFFFAOYSA-N 347.370 3.891 0 1 EHAF O=C(Nc1ccccc1Cl)c1nc2c(Cl)ncc(F)c2[nH]1 587060617 QDLWBJASLASSRK-UHFFFAOYSA-N 325.130 3.656 0 1 EHAF CCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3NC)[nH]c2c1 587065983 CCLHMAFSQPXYQQ-UHFFFAOYSA-N 349.843 3.719 0 1 EHAF N[C@H](N=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587152814 RIRPWHPOJYXTEA-XMZIXOGTSA-N 328.322 3.836 0 1 EHAF COc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Cl 587158958 ZFYQHSGEEINOEE-QGHHPUGFSA-N 331.778 3.706 0 1 EHAF CCOC(=O)c1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)oc1C 587403357 HGRJKSGKQTXZAL-LJQANCHMSA-N 343.379 3.536 0 1 EHAF 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3.540 0 1 EHAF CC(C)=CC[C@@]12CCN(C)[C@H]1Nc1c(Br)ccc(O)c12 2356659876 WRWGGTSCHPLAPY-CVEARBPZSA-N 337.261 3.836 0 1 EHAF O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(Cc2ncc[nH]2)C1 11817310 SZJGJDCYJAXUEA-QGZVFWFLSA-N 345.446 3.756 0 3 EHAF Cc1c([C@H](C)c2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O 24489 SNZLKNMCCWNHEG-SNVBAGLBSA-N 333.382 3.863 0 1 EHAF Cc1c(Cc2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O 9692002 JDNVZVKHBJZAPU-UHFFFAOYSA-N 336.407 3.982 0 1 EHAF COc1ccc([C@@H]2c3c(n[nH]c3C)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1 9692055 ZRHYTCOPPFMLFP-QZTJIDSGSA-N 337.423 3.950 0 1 EHAF COc1cc2c(cc1O)CCN(Cc1ccc(OC)c(OC)c1)[C@@H]2C 13376579 DWWMSOMIMCXELY-CYBMUJFWSA-N 343.423 3.537 0 1 EHAF biogenic Fc1ccc(CCCN2CC[C@H]3[C@@H](C2)c2cccc4c2N3CC4)cc1 13475711 GCWSOKYFEWNCMI-SFTDATJTSA-N 336.454 3.993 0 1 EHAF CC(C)(Oc1ccc(CNC(=O)c2ccccc2Cl)cc1)C(=O)O 13649320 WKMGMDFXFXRSJZ-UHFFFAOYSA-N 347.798 3.512 0 1 EHAF CN(C)S(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 28711926 UZUQCWFUTHINIC-UHFFFAOYSA-N 344.358 3.591 0 1 EHAF CN1CCN(C2=Nc3ccccc3Oc3c2csc3Cl)CC1 29347845 AARPTTJMVGHOMZ-UHFFFAOYSA-N 333.844 3.833 0 1 EHAF CO[C@@H]1Cc2ccsc2C2(CCN(Cc3ccccc3)CC2)O1 95555465 QQTHDTCMPMXZHM-KRWDZBQOSA-N 329.465 3.785 0 1 EHAF CC(C)NC(=O)c1cc(Sc2ccc(C(C)C)cc2)c[nH]c1=O 95597008 RQXQJQQTUFIHKH-UHFFFAOYSA-N 330.453 3.788 0 1 EHAF CC1=C[C@H]2O[C@H]3OC(=O)[C@@]4(C)CCC[C@]3([C@H]1CC(=O)c1ccoc1)[C@@H]24 101637102 WRANWQZSRYWETI-RQTMNWHBSA-N 342.391 3.503 0 1 EHAF CCCSCCCn1cnc2c3cc(OC)ccc3nc-2c1O 103533799 GIDPRDSFHNEJSZ-UHFFFAOYSA-N 331.441 3.784 0 1 EHAF Fc1cc(Cl)c(-c2nn3c(-c4ccncc4)nnc3s2)cc1F 169307933 NACOLYZTDDIYOC-UHFFFAOYSA-N 349.753 3.846 0 1 EHAF CN1c2ccccc2C(=O)N2CCn3c(cc4ccc(Cl)cc43)[C@@H]21 221951398 MCSTXRKMLGBOCB-GOSISDBHSA-N 337.810 3.899 0 1 EHAF CCc1cnc(-n2nc(OC(C)C)c(Cc3ccccc3)c2C)nc1 299854833 ALLXTYLBRNABCH-UHFFFAOYSA-N 336.439 3.911 0 1 EHAF Cc1nc2[nH]c([C@@H]3COc4ccccc4O3)nc2cc1Br 404579436 OTIRWNNAIUPNRQ-ZDUSSCGKSA-N 346.184 3.541 0 1 EHAF O=C(O)c1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1F 586897710 IDBHWRKNSAOYLP-UHFFFAOYSA-N 326.327 3.652 0 1 EHAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1 586921991 JPMMQFCUJAHHLI-UHFFFAOYSA-N 338.791 3.816 0 1 EHAF N[C@@H](N=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079389 DHJCJVJPMCXOGU-GJZGRUSLSA-N 328.759 3.616 0 1 EHAF N=C(N)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587175568 VRSZAYMOCUIUAD-UHFFFAOYSA-N 327.750 3.788 0 1 EHAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Cl)c(C)c2[nH]1 587230917 JTVBSWOICRJOHK-QWHCGFSZSA-N 349.862 3.561 0 1 EHAF CO[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346184 HMELGGNEMDSURQ-XTDINYQCSA-N 330.355 3.684 0 1 EHAF CCCc1c(O)ccc2c1O[C@](CC)([C@@H](C(=O)OC)C(C)C)CC2=O 587479993 MSRSPQMYVPQHHY-XLIONFOSSA-N 348.439 3.904 0 1 EHAF COC(=O)c1scnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587534756 FFCBLGGNLDWCIU-CQSZACIVSA-N 343.404 3.515 0 1 EHAF C[C@@H](O)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535663 NKWMBUTYYBIYSF-MEBBXXQBSA-N 329.421 3.782 0 1 EHAF CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 587584453 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OYMVBNKBLLTUNF-YADHBBJMSA-N 348.490 3.710 0 1 EHAF Nc1ccc(/C=C2\SC(=O)N(Cc3cccc(F)c3)C2=O)cc1 96905858 KVRLHPFPUYKAOM-DHDCSXOGSA-N 328.368 3.644 0 1 EHAF C[C@@H]1C(Cl)(Cl)[C@]1(C)C(=O)NCCc1csc(Cl)c1 103296438 KMZUSHAASRJDCR-CPCISQLKSA-N 326.676 3.890 0 1 EHAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccccc2c1 253635386 XVOOTZXSASFQRD-PJHQHLEASA-N 333.431 3.879 0 1 EHAF Cc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2n1 587076740 ONKLNKJIFVBYHB-UHFFFAOYSA-N 339.786 3.755 0 1 EHAF Cc1nc2[nH]c(-c3cc(F)c(N)c(F)c3)nc2cc1Br 587134788 MZRZJYOOISSUOD-UHFFFAOYSA-N 339.143 3.556 0 1 EHAF CCOC(=O)c1ccc2[nH]c(-c3ccc(NC(=O)OC)cc3)nc2c1 587243490 MZHWFEYHLHUOCP-UHFFFAOYSA-N 339.351 3.585 0 1 EHAF COC[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352312 WWXURHQEXCBQBE-FOPRYUNUSA-N 344.382 3.931 0 1 EHAF CCOC(=O)c1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587398720 HBMAXCLRIUWNMB-HXUWFJFHSA-N 339.391 3.635 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(CN3CCCC3)cs1)O2 587410500 OCXGAQXUZKVTIZ-KRWDZBQOSA-N 342.464 3.941 0 1 EHAF COc1cc2c3c(c1)O[C@H](c1ccnn1-c1ccccc1C)[C@@H](C2)C3=O 587433469 YSHIDSLTWOUUJI-BTYIYWSLSA-N 346.386 3.678 0 1 EHAF CCCCCCN1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587434521 AANPYBMTEPLQCI-QGZVFWFLSA-N 343.467 3.858 0 1 EHAF CCCc1c(O)ccc2c1O[C@@]1(CCC3(C[C@H]1C)OCCO3)CC2=O 587482248 DJGBQXZOOJJUDW-YJYMSZOUSA-N 346.423 3.612 0 1 EHAF COCCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599151 WEMALYSQBGDENA-QFBILLFUSA-N 328.364 3.539 0 1 EHAF CCC[C@@]1(C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587811428 FUHRAMDNUDKGIT-PSLIRLAXSA-N 328.225 3.707 0 1 EHAF COc1cccc(CCc2nc3cc(Br)ncc3[nH]2)c1 587932301 WJJGJWPHNKUAPG-UHFFFAOYSA-N 332.201 3.514 0 1 EHAF COc1ccc(C2(c3nc4cc(N)c(N)cc4[nH]3)CC3(CCC3)C2)cc1 587934854 GVSUAHGISHULAG-UHFFFAOYSA-N 348.450 3.986 0 1 EHAF c1ccc([C@@H]2Oc3ccccc3C3=NN[C@@H](c4ccncc4)[C@@H]32)cc1 653869221 FODVSPVMCYTCET-ZJOUEHCJSA-N 327.387 3.880 0 1 EHAF CC(C)c1nn(C)c2c1[C@](c1cccc(F)c1)(C(F)(F)F)NCC2 962906588 GYRYZHIUWLUQEQ-MRXNPFEDSA-N 341.352 3.634 0 1 EHAF CN1C(=O)C[C@H]2CN[C@@](C)(CCc3ccccc3F)c3cccc1c32 963036583 UIUXDLCTBLCSPC-BTYIYWSLSA-N 338.426 3.727 0 1 EHAF Fc1cccc2c1[C@@](C1=COCC1)(C(F)(F)F)N1CCC[C@H]1C2 963113317 QUSVBFHROSXHIX-BBRMVZONSA-N 327.321 3.908 0 1 EHAF COc1cc(C)c([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1C 963634150 JUIAGZTWMDQQES-SZNDQCEHSA-N 341.451 3.953 0 1 EHAF Cc1n[nH]c2cnc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc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c1c(C)cccc1C 199231799 GAOWONUXEUPBAE-YJYMSZOUSA-N 348.512 3.622 0 3 EHAF C[C@H](CCc1ccccc1)NC(=O)Cn1ncc2c(Cl)cccc21 6768254 LFSZTPYDIZJUOA-CQSZACIVSA-N 341.842 3.827 0 1 EHAF CCn1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 13737472 WXIGXEUIMTVEEY-QFBILLFUSA-N 337.448 3.643 0 1 EHAF CS(=O)(=O)Nc1cc2c(cc1SC1CCCCC1)C(=O)CC2 13744786 LWIVKEAWCVURHR-UHFFFAOYSA-N 339.482 3.612 0 1 EHAF CCC(=O)O[C@@H]1COc2c(CC=C(C)C)c(=O)oc3cccc1c23 14440713 HLGOQJMZWVUWIB-OAHLLOKOSA-N 328.364 3.688 0 1 EHAF biogenic COc1ccc([C@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1N 45289617 ITOLSPXRTLZFDI-KGLIPLIRSA-N 329.396 3.574 0 1 EHAF CC(C)c1cccc2c1NC(=O)[C@@]21N(C)CC[C@]12CCCCCC2=O 49116414 ATKURRGKWDEHAC-SFTDATJTSA-N 340.467 3.813 0 1 EHAF COC(=O)[C@@H]1[C@H](c2cccc(-c3ccco3)c2)C[C@H]2CC[C@H]1N2C 100999527 ITEKLFIKJBIAEP-SFNKJDCFSA-N 325.408 3.686 0 1 EHAF CC[C@@H]1CC(=O)C[C@]23CCN(CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13 101824356 RUNRCUXZMMKEMO-WWGKXEARSA-N 339.479 3.676 0 1 EHAF Nc1ccc(-c2ccc3c(c2)CNC[C@H]3c2ccc(Cl)cc2)nn1 114514836 YMSGTOASAZCQKN-KRWDZBQOSA-N 336.826 3.614 0 1 EHAF Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(NC(=N)N)cc3)on2)c1 169325843 KZDKMPLBGRSTSZ-UHFFFAOYSA-N 349.394 3.516 0 1 EHAF Cc1nc(C(=O)N[C@@H]2[C@@H]3C[C@@H]4C[C@H](C3)C[C@@H]42)c(C)n1-c1ccccc1 169362394 LNFIGJSRRJNZFD-POSZSDEYSA-N 335.451 3.654 0 1 EHAF CCS(=O)(=O)c1cccc(Cc2nc3c(C)ccc(C)c3[nH]2)c1 586921901 OXBLMFCGIQGGPU-UHFFFAOYSA-N 328.437 3.564 0 1 EHAF Clc1cnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 587008447 WAJXRQDHBKNFAA-UHFFFAOYSA-N 348.591 3.917 0 1 EHAF Cc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Cl 587025293 KOALNNKXJBPLFF-UHFFFAOYSA-N 328.875 3.957 0 1 EHAF COc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cn1 587136008 JTVNYIRSGXWSHC-UHFFFAOYSA-N 340.127 3.674 0 1 EHAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587239662 MUBKLBBQPFORBB-UHFFFAOYSA-N 336.182 3.731 0 1 EHAF O=C1c2ccc(O)cc2O[C@]2(CCSC2)[C@@H]1c1ccc(F)cc1 587376757 YAYXXZHDGVEJMU-AEFFLSMTSA-N 330.380 3.766 0 1 EHAF COc1ncc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587376969 FBBGXXGVMLLEIV-KRWDZBQOSA-N 332.787 3.515 0 1 EHAF C/C(=C\[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C 587385069 BHSOOFADABQTHB-FFXXTYGZSA-N 336.435 3.903 0 1 EHAF CC(=O)n1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587389159 FOJHLOCJUQEKCF-IBGZPJMESA-N 334.375 3.899 0 1 EHAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CC1)OCC(C)(C)CO3)O2 587407992 KHFDLUABXYOZBP-UHFFFAOYSA-N 345.439 3.625 0 1 EHAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(Cl)ccc41)[C@@H](C2)C3=O 587422616 RCSIYIREEOCXRZ-HNAYVOBHSA-N 326.779 3.938 0 1 EHAF CCOC(=O)C[C@@]1(CCC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441050 IZOGKPWAUQUBAA-FOIQADDNSA-N 346.423 3.571 0 1 EHAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(O)ccc1OC)CC2=O 587476071 COROMVLRLQJYJI-HXUWFJFHSA-N 342.391 3.940 0 1 EHAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587772881 PKFUSIFQEJLTRP-HWPZZCPQSA-N 335.220 3.915 0 1 EHAF CC(=O)[C@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587811789 HNKQVWVFKAFLOS-HWPZZCPQSA-N 342.252 3.953 0 1 EHAF CC[C@]1([C@H]2CCOC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587837124 ZMXIDKORNNHPHV-KNHMANMVSA-N 342.252 3.764 0 1 EHAF COc1ccc(CCCc2nc3c(Cl)ccnc3[nH]2)c(OC)c1 587929073 PLKFOZKWCJBEJE-UHFFFAOYSA-N 331.803 3.804 0 1 EHAF CC(=O)Oc1ccccc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963099448 AFPZPJLNLGYMQN-JXFKEZNVSA-N 325.383 3.861 0 1 EHAF O=C(O)CCc1ccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1 963099826 AXVQLVKAVIZPSK-LAUBAEHRSA-N 339.410 3.953 0 1 EHAF O=C(NC1CCCCC1)NC1C[C@@H]2CCC[C@@H](C1)N2C1CCCC1 1370023 FBJGNSSHFCXNNW-OALUTQOASA-N 333.520 3.946 0 1 EHAF CC(C)CN1CCC2(CC1)CCN(C(=O)c1cccc(F)c1)CC2 3955703 DQMAKPRZWWTRDG-UHFFFAOYSA-N 332.463 3.800 0 1 EHAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1cc2ccccc2s1 28463431 PTQZZXVZLMXUFN-YSGRDPCXSA-N 337.444 3.949 0 1 EHAF COc1c(Br)cccc1Nc1ncnc2ccncc12 29133360 UJOLEOSCPIKNFG-UHFFFAOYSA-N 331.173 3.540 0 1 EHAF C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC(=O)c1ccoc1 31156983 IDSNFIYMRQMCAN-FAQOMCGWSA-N 334.456 3.817 0 1 EHAF biogenic,in-vitro O=C(O)CSc1nc(Cl)cc(Nc2cccc3c2CCC3)n1 40393239 OGXCCWPSBAOWEN-UHFFFAOYSA-N 335.816 3.539 0 1 EHAF COc1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(Cl)c2F)cc1 45202802 SVZZSMCZIHEIRF-SJKOYZFVSA-N 337.822 3.742 0 1 EHAF CNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45385153 SXHYASJCSPRVCT-JTQLQIEISA-N 338.251 3.525 0 1 EHAF O=C1CS[C@H](c2ccc(Cl)cc2)c2cc3c(cc2N1)OCO3 59085549 YJNYJVFCVQOUQK-MRXNPFEDSA-N 333.796 3.843 0 1 EHAF CCCCc1ccc2nc(-c3ccc(OCCOC)cc3)cn2n1 72173117 XCXJQPNJTWZXHY-UHFFFAOYSA-N 325.412 3.764 0 1 EHAF COCCn1c(C(C)C)nc2c(NCc3ccccc3C)ncnc21 82180442 CFPWAXPJIZMUHP-UHFFFAOYSA-N 339.443 3.517 0 1 EHAF CCOc1ccc(-c2nc3c(NC)c(Br)cnc3[nH]2)cc1 84597048 FIASWBLFYIGRQT-UHFFFAOYSA-N 347.216 3.828 0 1 EHAF O[C@@H]1CCN([C@H]2CCCC[C@H]2OCCc2cccc3ccccc23)C1 137226890 YGFOYGMYBHFEOM-BAGYTPMASA-N 339.479 3.777 0 1 EHAF c1ccc(Nc2ccc(Oc3nccnc3N[C@H]3CCOC3)cc2)nc1 139196663 VVSYHEGYISRUIN-HNNXBMFYSA-N 349.394 3.608 0 1 EHAF CCCCC[C@@H]1/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 195142382 UTLCNJREJFJDLH-CKXCCYAOSA-N 336.472 3.523 0 1 EHAF CCOC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 261187892 YAQRLZQYOQZQDV-RUCARUNLSA-N 330.472 3.740 0 1 EHAF C[C@@H](O)c1ncc(-c2nc3cc(F)cc(Br)c3[nH]2)s1 587021478 IOYYEHQZJXGCQX-RXMQYKEDSA-N 342.193 3.641 0 1 EHAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cccc(O)c2[nH]1 587042450 JYQTYEYIDYKEPB-CYBMUJFWSA-N 345.811 3.577 0 1 EHAF Oc1nncc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587125867 USEICWRZYMTKNF-UTCJRWHESA-N 338.314 3.841 0 1 EHAF Cc1c(Br)ccc2nc(-c3cc(N)c(N)cc3F)[nH]c12 587136526 QOKUQHJNFKEJFC-UHFFFAOYSA-N 335.180 3.604 0 1 EHAF Cc1ccc(/C=C\c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1F 587146260 GJGJNXYPWCOUDM-YVMONPNESA-N 330.384 3.584 0 1 EHAF O=C1CCc2cc3nc([C@H]4C[C@H]4c4cccc(F)c4F)[nH]c3cc2N1 587151437 HWVYCPKIBNFAPQ-RYUDHWBXSA-N 339.345 3.997 0 1 EHAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](C(=O)O)CC3 587206720 LSOWSILSMTUXGN-NSHDSACASA-N 329.355 3.636 0 1 EHAF COc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587399946 NXSPFLKPPVTCNV-INIZCTEOSA-N 327.380 3.609 0 1 EHAF N=c1[nH]c2c(s1)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587539957 YYYGNDPUUFTZJQ-LJQANCHMSA-N 340.448 3.631 0 1 EHAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCN(C)C)N1 587739479 HHLHFHQTUBLCSK-BZNIZROVSA-N 343.284 3.679 0 1 EHAF COc1ccc(C[C@@H](C)c2nc3cncc(Cl)c3[nH]2)cc1OC 587925230 CZIXRXCVFSSLAY-SNVBAGLBSA-N 331.803 3.975 0 1 EHAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3cn[nH]c3cc2[nH]1 587927394 QABRUIMZNWYKKP-CYBMUJFWSA-N 336.395 3.998 0 1 EHAF CCc1ccc(C(=O)CCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 587957186 RYTMJLMNTOYNKE-UHFFFAOYSA-N 340.354 3.778 0 1 EHAF CC[C@]1(c2cccc(Cl)c2)NCCc2ccc(C(=O)N(C)C)cc21 962931451 NMWGURQKNGKZGH-HXUWFJFHSA-N 342.870 3.841 0 1 EHAF C[C@]1(CSc2nncs2)NCCc2c(Cl)cc(Cl)cc21 963120496 IWOMVCRHJWBFBF-CYBMUJFWSA-N 346.308 3.998 0 1 EHAF COc1cc(C[C@@H](C)[C@@H](C)Cc2cc3c(cc2O)OCO3)ccc1O 2356393245 DIADZLCOROOTGN-OLZOCXBDSA-N 344.407 3.893 0 1 EHAF CO[C@@H]1CC=C(C)C[C@H]2O[C@@H]3NC(=O)C1=C3[C@H]2[C@H](C)CCC=C(C)C 2356581300 REDHHRSNTYUBNT-JJIVNBJUSA-N 345.483 3.892 0 1 EHAF CC[C@@H]1CCC[C@@](O)(CC)CCCNC(=O)[C@H](CC)C(=O)CC1 2356800669 RCXYDLLEOUUOAD-MDZRGWNJSA-N 325.493 3.610 0 1 EHAF