smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)c1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1OC 587259960 KNEQLFCXQMKMQD-UHFFFAOYSA-N 331.376 3.771 10 1 EHCF CCCCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 617960013 ZOMVZKJVBKVRRY-CFBLSMTOSA-N 347.484 3.729 10 1 EHCF O=c1cccc2n1C[C@@H]1C[C@@H]2CN(/N=N/c2ccc(Cl)cc2)C1 101912043 SWTPPCDXKFQWFH-LKAPKGCMSA-N 328.803 3.620 10 1 EHCF O=C1OC[C@H](c2ccc(N3CCCC3)cc2)N1c1ccc2[nH]cnc2c1 116829100 LRCAIIKYEMPGIF-LJQANCHMSA-N 348.406 3.861 10 1 EHCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(C)(C)C)cc(O)c1O)O2 587403064 DNPBKHXAWCQFFA-QGZVFWFLSA-N 341.407 3.992 10 1 EHCF C[C@@H](NCCc1ccccc1)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857651843 ZCMLKNWDRDYRSO-CQSZACIVSA-N 345.398 3.948 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CO[C@H]2C[C@@H]1C(C)(C)C[C@@H](O)C3 2356397950 KRVFRLOLTQRXBW-OOGZCYTASA-N 332.440 3.731 10 1 EHCF COc1cccc(NCCCn2c3c(c4ccccc42)CCNC3)c1 1857617020 IWCKUCCNEYVMIP-UHFFFAOYSA-N 335.451 3.798 10 1 EHCF CC(C)c1c(O)c(O)c2c(c1O)C(=O)[C@H](O)[C@@H]1C(C)(C)CCC[C@]21C 2356443445 MJTJMEVBBSUXNW-NLWGTHIKSA-N 348.439 3.568 10 1 EHCF CN1c2ccc(Cl)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 95555949 YPANHQUQZMGGSB-GOSISDBHSA-N 337.810 3.968 10 1 EHCF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccccc1O 82157411 DTQPHHQUNKGGOC-FQEVSTJZSA-N 332.359 3.785 10 1 EHCF O=C(N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1[C@H]2CCCC[C@H]21 617960125 DKMSIWCEBUZWEM-IWIIMEHWSA-N 328.328 3.828 10 1 EHCF CCCc1ccc(O)c([C@]2(C)NCCc3c2c(C(C)C)nn3C)c1 962912654 AHZTUWBTQAGSEZ-FQEVSTJZSA-N 327.472 3.611 10 1 EHCF COc1cc([C@H]2NCCc3cc(C)c(F)cc32)ccc1N1CCCC1 962088990 FHDXORCIYKFZLN-OAQYLSRUSA-N 340.442 3.978 10 1 EHCF CC(C)CNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 15952403 LBADWXJWSCBMAL-XJKCOSOUSA-N 338.373 3.931 10 3 EHCF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1ccc(C)c(C)c1O 963604033 DJDVWPNSEHOANV-ZSEKCTLFSA-N 341.451 3.824 10 1 EHCF CCCc1c(CC)sc2nc(-c3ccc(O)c(O)c3)[nH]c(=O)c12 96907905 HXAFMSQRYGOLLR-UHFFFAOYSA-N 330.409 3.578 10 1 EHCF CC1(C)OC(=O)C(/N=N/c2ccc(Br)cc2)=C(O)O1 101742052 ACIDLJYMHHRICV-CCEZHUSRSA-N 327.134 3.569 10 1 EHCF COc1cc(/C=C/c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(O)c1O 587785889 PHDYWRVZHHQWNU-VMPITWQZSA-N 339.395 3.846 10 1 EHCF O=c1cccc2n1C[C@@H]1C[C@H]2CN(/N=N/c2ccc(Cl)cc2)C1 45319661 SWTPPCDXKFQWFH-OCLJEGOKSA-N 328.803 3.620 10 1 EHCF COc1cc(/C=C/c2sc3ccccc3[n+]2C)ccc1N(C)C 5551916 FIXDKHDGPVKGAY-UHFFFAOYSA-N 325.457 3.971 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](O)[C@H]2OC3 2356740943 XXQLUHIXNZKHDC-GNBUJSLZSA-N 332.440 3.731 10 1 EHCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(C)(C)C)cc(O)c1O)O2 587403063 DNPBKHXAWCQFFA-KRWDZBQOSA-N 341.407 3.992 10 1 EHCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(C)c4ccccc14)[C@@H](C2)C3=O 587431615 PNSAQEVTVXHBGV-YCRPNKLZSA-N 333.387 3.984 10 1 EHCF COc1cc2c(cc1OC)[C@H](c1cc(C)cc(C)c1O)N(C)[C@H](C)C2 962628421 HHOXZYFTRQFRQO-JLTOFOAXSA-N 341.451 3.992 10 1 EHCF CCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 96273318 GXDZXDYTRZODQT-UHFFFAOYSA-N 342.347 3.756 10 1 EHCF CCOC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@H]1c1ccccc1 653740464 QSDDGSNZABYDPQ-INIZCTEOSA-N 340.379 3.708 10 1 EHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2O)N1 587830571 DNBIAUJKXTYTJB-JDNHERCYSA-N 336.204 3.917 10 1 EHCF CC(C)c1c(O)c(O)c2c(c1O)C(=O)C[C@@H]1C(C)(C)C(=O)CC[C@]21C 14774101 CZIBUABEIQOGMV-GIPWTMENSA-N 346.423 3.776 10 1 EHCF biogenic [N-]=[N+]=NC[C@H](c1ccccc1)N1CCN(Cc2ccccc2)CCC1=O 15937566 MKVZPSACUFEDET-LJQANCHMSA-N 349.438 3.773 10 3 EHCF CCOC(=O)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)c2ccccc21 474604809 FARYBMWDOPWSQD-LGMDPLHJSA-N 336.391 3.796 10 1 EHCF COc1cc(/C=C/c2ccc(N(C)C)c(N)c2)cc(OC)c1OC 28103057 UURRKVFXCHETCL-VOTSOKGWSA-N 328.412 3.531 10 1 EHCF N=c1[nH]ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587080005 JUIAGGOBWSRENL-RWSFTLGLSA-N 337.814 3.850 10 1 EHCF COc1cc2c3c(c1)c(N=NC(N)=S)c(O)n3C(C)(C)C=C2C 377867594 NMPRKKRYIYTRDX-UHFFFAOYSA-N 330.413 3.835 10 1 EHCF NC(=O)c1sc(Nc2ccccc2)c(-c2nc3ccccc3[nH]2)c1N 157350 GEXYABBLCVNCBM-UHFFFAOYSA-N 349.419 3.716 10 1 EHCF CC(C)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@@H]1[C@H](O)[C@@]2(C)O3 2356620431 SCQXHETZRUJEHL-QIJZPMMNSA-N 346.467 3.949 10 1 EHCF C[C@@H]([C@H](O)Cc1ccccc1)N(C)/N=N/c1ccc([N+](=O)[O-])cc1 5822951 GTBBQYABAALZEK-TUVHQWQRSA-N 328.372 3.517 10 1 EHCF Cc1ccc([C@H](c2ccc3cccnc3c2O)N2CCOCC2)cc1 199236783 WYTKXHPXHJGOQR-HXUWFJFHSA-N 334.419 3.670 10 1 EHCF CN1CCN([C@H]2Cc3ccccc3Sc3ccc(S)cc32)CC1 22939887 FSMMNOOABRVLIP-KRWDZBQOSA-N 342.533 3.971 10 1 EHCF Oc1ccc(O)c(-c2cnc3[nH]cc(-c4ccc(O)c(O)c4)c3c2)c1 103225158 BIAXUZOPKUTHPY-UHFFFAOYSA-N 334.331 3.719 10 1 EHCF CC(C)c1c(O)c(O)c2c(c1O)C(=O)C[C@H]1C(C)(C)C(=O)CC[C@@]21C 14774111 CZIBUABEIQOGMV-PRWKNARSSA-N 346.423 3.776 10 1 EHCF biogenic O=C1c2ccc3ccccc3c2C(=O)[C@@H]1c1cc(=O)c2ccccc2[nH]1 4115372 USLSQKYMBMSUSM-HXUWFJFHSA-N 339.350 3.844 10 1 EHCF COc1ccc(N2CCN(CCCSc3ccccc3)CC2)cc1 28886728 YQVMWGFVZHIJFS-UHFFFAOYSA-N 342.508 4.000 10 1 EHCF O=C1/C(=C/O)C(c2ccccc2)=NN1c1cccc(C(F)(F)F)c1 100658199 QIFROFBXVFFGLP-GXDHUFHOSA-N 332.281 3.898 10 1 EHCF CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)/C=C/c1cc(O)c(O)c(O)c1)C2 101463468 IMMWANKYSKQCQN-GDGBPNIQSA-N 332.396 3.575 10 1 EHCF CC[C@@]1(c2ccc(O)cc2O)c2ccc(F)cc2C[C@H]2CCCN21 963100074 PZXVXPIJYAMHLF-QRWLVFNGSA-N 327.399 3.911 10 1 EHCF O=C1c2ncccc2C(=O)c2c1c(Cc1ccccc1)c1ccccn21 1857650865 ZRFFNMOSIASYSJ-UHFFFAOYSA-N 338.366 3.701 10 1 EHCF COc1ccc(OCCCn2c3c(c4ccccc42)CCNC3)cc1 1857616151 JIHRWIFBBJJHHF-UHFFFAOYSA-N 336.435 3.765 10 1 EHCF Nc1nn2c(O)c3c(nc2c1N=Nc1ccc(Cl)cc1)CCCC3 253531718 AHAXNFPMQFNVNG-UHFFFAOYSA-N 342.790 3.965 10 1 EHCF CCOc1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3ccccc23)cc1 617980983 UNGCBCJYYNTKDJ-UHFFFAOYSA-N 345.380 3.745 10 1 EHCF CC[C@]1(c2ccc(O)cc2O)c2ccc(F)cc2C[C@H]2CCCN21 963100071 PZXVXPIJYAMHLF-FOIQADDNSA-N 327.399 3.911 10 1 EHCF CN(C)c1ccc(CN2CCOC[C@@H]2c2nc(C(C)(C)C)co2)cc1 2356300813 YFBNCAYKUNTUCR-QGZVFWFLSA-N 343.471 3.612 10 1 EHCF CC1(C)C[C@]2(CN(Cc3ccc(N)cc3)CCO2)c2ccccc2O1 35079535 SONFQCBNQQMLEZ-NRFANRHFSA-N 338.451 3.558 10 1 EHCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccncc1 13466561 YOGFGPSAJSPLHW-VHEBQXMUSA-N 345.156 3.955 10 1 EHCF CC[C@H](C)Nc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 219759296 YNRQTZNHXUWUTK-VIFPVBQESA-N 337.404 3.677 10 1 EHCF O=c1[nH]c2cc(C(F)(F)F)ccc2n1Cc1cc(Cl)ccc1O 29398048 CKVKZVRAOXQXIG-UHFFFAOYSA-N 342.704 3.756 10 1 EHCF CCOC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 13109230 YEOCARBJULMLJM-GYSYKLTISA-N 327.302 3.602 10 1 EHCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccccc1 45283941 FDGRSCVUTRCYLA-FQEVSTJZSA-N 343.386 3.779 10 1 EHCF Cc1ccc([N+](=O)[O-])c2c(NCCCC(=O)O)c3ccccc3nc12 71297023 HQAPHGMMMWNDKZ-UHFFFAOYSA-N 339.351 3.881 10 1 EHCF O=C(CCn1cnc2ccccc21)N=Nc1c(O)[nH]c2ccccc12 253982923 PBCLVRDXTUXKOC-UHFFFAOYSA-N 333.351 3.924 10 1 EHCF [N-]=[N+]=NCCCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 587260596 VJWNWBZMUMAOQP-UHFFFAOYSA-N 342.447 3.808 10 1 EHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2O)N1 587833106 LWUPNKJWPBCBDX-ABKXIKBNSA-N 336.204 3.917 10 1 EHCF CCOC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 13109228 YEOCARBJULMLJM-JTNHKYCSSA-N 327.302 3.602 10 3 EHCF COc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)[C@@H](C)[C@H](C)C2 2356418449 JXDLWXZAEIQIQO-FDMGOTLNSA-N 344.407 3.781 10 1 EHCF CCCc1ccc2c(O)c3c(c(O)c2c1)C(=O)c1cccc(O)c1C3=O 84618140 YFRSOTKZPUMXIQ-UHFFFAOYSA-N 348.354 3.685 10 1 EHCF Cc1c(O)cc2c3c1OC(C)(C)C[C@H]3c1ccc(O)c(O)c1CC2 14724872 VKSWXZSFBSSEFC-AWEZNQCLSA-N 326.392 3.903 10 1 EHCF biogenic,in-vitro O=C(O)c1ccc(OCCCCCCc2cccc(O)c2O)cc1O 27089388 QNASFKIAFINXJL-UHFFFAOYSA-N 346.379 3.684 10 1 EHCF Oc1ccc(Cn2c(-c3ccc(O)c(O)c3)nc3ccccc32)cc1O 1663069 VFPPTQXNQGTSLG-UHFFFAOYSA-N 348.358 3.574 10 1 EHCF O=C1N=C(O)/C(=C/c2cc3ccccc3[nH]2)C(=O)N1c1ccccc1 29126828 KRXMZJGTLCMPNC-PTNGSMBKSA-N 331.331 3.675 10 1 EHCF O=C1CCCN1[C@H](c1ccc(O)cc1O)c1c(O)ccc2ccccc12 1772635087 OJUJBVNMGMKMSI-OAQYLSRUSA-N 349.386 3.668 10 1 EHCF O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1cccc(F)c1 7568775 UJIKQENQWHEBPS-UHFFFAOYSA-N 338.367 3.620 10 1 EHCF COc1c(-c2ccc(O)cc2)cc(O)c(-c2ccc(O)c(O)c2)c1O 72109059 ATMBBZRMOGOHOQ-UHFFFAOYSA-N 340.331 3.557 10 1 EHCF in-vitro CN1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1 45302709 YAJGIWGRGFNXSY-UHFFFAOYSA-N 348.494 3.828 10 1 EHCF COc1cc2c(/C=C3/C(=O)N(C)c4ccc(O)cc43)c[nH]c2cc1C 58468577 LTZJROJEKGEBHC-FRKPEAEDSA-N 334.375 3.708 10 1 EHCF C[C@H](O)Cc1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O 1857749728 DRMXWQLIZYRIHE-ORBZYBPHSA-N 332.440 3.692 10 1 EHCF Nc1ccc(Oc2ccc3nc(C[S@](=O)CC4CC4)[nH]c3c2)cc1 586960583 VXFSGNXFSLJUMT-XMMPIXPASA-N 341.436 3.596 10 1 EHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C(F)(F)C(F)F)[nH]c21 587089106 JBNWNSTWFILYDE-UHFFFAOYSA-N 348.255 3.695 10 1 EHCF CCCN(CCc1cccs1)[C@H]1CCc2c(ccc(O)c2O)C1 13493218 NRLVAYFPZFCJHQ-HNNXBMFYSA-N 331.481 3.971 10 1 EHCF C[C@@H](CO)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@@H]1C[C@H]2O3 2356459925 DXVLVCFPZPFOFU-KHAHRTFGSA-N 332.440 3.776 10 1 EHCF CC(=O)Nc1ccc(N2N=C(C)[C@H](/N=N\c3ccccc3)C2=O)cc1 8430809 CWPUTESRMBVLGF-UNEBPCJRSA-N 335.367 3.520 10 1 EHCF c1ccc(CN2CC[C@@H]3C[C@@H]2c2ccc(N4CCOCC4)cc23)cc1 103044224 OTAPEGBXOAAYTQ-XMSQKQJNSA-N 334.463 3.958 10 1 EHCF COC(=O)[C@H](C)c1ccc(-c2ccc(O)c(CN(C)C)c2)c(F)c1 1857541414 YTPPMLWYUBANDI-GFCCVEGCSA-N 331.387 3.536 10 1 EHCF CCCSc1ncccc1C(=O)NCc1ccc(N(C)C)cc1 39264151 ABFQVIJUMWSNBT-UHFFFAOYSA-N 329.469 3.580 10 1 EHCF COCCN/N=N/c1cccc(Nc2cc(-c3cccnc3)ncn2)c1 96258117 HATRFZDDHZBDNG-UHFFFAOYSA-N 349.398 3.517 10 1 EHCF CCCC/C=C/c1cc2c(cc1O)C(=O)c1cc(O)cc(O)c1C2=O 238780485 AYWWZVJMILKXMO-AATRIKPKSA-N 338.359 3.782 10 1 EHCF CCN(CC)CCNc1ccc2c3c(nn2C)-c2ccccc2C(=O)c13 28758053 YYNQKHYPRQAFNU-UHFFFAOYSA-N 348.450 3.538 10 1 EHCF CC1(C)OC(=O)C(/N=N\c2ccc(Br)cc2)=C(O)O1 102754188 ACIDLJYMHHRICV-PFONDFGASA-N 327.134 3.569 10 1 EHCF COc1ccc(N2CCC[C@@H]2/C=C/C(=O)OCc2ccccc2)cc1 206036404 RTZFNEFGXGOHHN-GPZRYRNASA-N 337.419 3.964 10 3 EHCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccccc1 45283943 FDGRSCVUTRCYLA-HXUWFJFHSA-N 343.386 3.779 10 1 EHCF Cc1ccc([C@H](C)/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1C 49072339 KSRKZPWHZIQCQE-ZMTLZGASSA-N 349.477 3.626 10 1 EHCF O=C(NCc1ccc(O)c(O)c1)C1(c2ccccc2)CCCCC1 473249343 VASRLGGROGPLPH-UHFFFAOYSA-N 325.408 3.616 10 1 EHCF CONC1=NC(=O)/C(=C/c2cc(C(C)C)c(O)c(C(C)C)c2)S1 13796263 ZPZIQDHHEVEXGH-ZSOIEALJSA-N 334.441 3.760 10 1 EHCF CN1c2cccc(Cl)c2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 95555885 WTMFHRNUWGPWKP-GOSISDBHSA-N 337.810 3.968 10 1 EHCF CC(C)(C)c1cccc([C@@H]2c3ccsc3CCN2C(N)=O)c1O 962713389 USDFZUIEVGJBLS-HNNXBMFYSA-N 330.453 3.777 10 1 EHCF COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2cc[nH]c2)ccc1O 14956323 AFGWYIYTIRSJOR-PXNMLYILSA-N 332.359 3.889 10 1 EHCF O=c1cccc2n1C[C@H]1C[C@H]2CN(/N=N/c2ccc(Cl)cc2)C1 101912046 SWTPPCDXKFQWFH-QMZBMZNISA-N 328.803 3.620 10 1 EHCF COc1ccc(NCCCn2c3c(c4ccccc42)CCNC3)cc1 1857606432 OPAHGTYNPZJUFE-UHFFFAOYSA-N 335.451 3.798 10 1 EHCF COc1ccccc1OCC(COc1ccccc1OC)N=[N+]=[N-] 2178320039 AUDHFJCLRONCHQ-UHFFFAOYSA-N 329.356 3.841 10 1 EHCF [N-]=[N+]=NCCCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587259826 IWEYYTMLFYBUKB-UHFFFAOYSA-N 333.308 3.793 10 1 EHCF Cc1cc(C)n2cc(/C=C/c3nc(-c4ccsc4)cn3C)nc2n1 117851301 GBHPQDLYIVDMNV-SNAWJCMRSA-N 335.436 3.979 10 1 EHCF COc1c(/C=C/C(C)C)cc(C(=O)c2cccc(O)c2)c(O)c1O 299838804 REGLPHMRGPAILU-BQYQJAHWSA-N 328.364 3.712 10 1 EHCF COC(=O)c1cc2[nH]c(CCCCCCN=[N+]=[N-])nc2cc1OC 587260729 ZVMFLDPLUSONKZ-UHFFFAOYSA-N 331.376 3.771 10 1 EHCF CCCc1c(O)ccc2c1O[C@]1(CCc3c1ccc(O)c3O)CC2=O 587480780 KXZYHTXTEBPJQL-HXUWFJFHSA-N 340.375 3.563 10 1 EHCF O=C1C[C@]2(C(=O)c3ccccc31)c1ccc(C(F)(F)F)c3c1CCN32 962703751 MUQFQGMFPNYKNT-GOSISDBHSA-N 343.304 3.746 10 1 EHCF Cc1cc(O)c2c(c1)Sc1c(c(=O)oc3c(O)c(O)cc(C)c13)N2 201557946 OUSUUNRYQRUYFB-UHFFFAOYSA-N 343.360 3.735 10 1 EHCF O=C(N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)C1[C@H]2CCCC[C@H]12 617960127 DKMSIWCEBUZWEM-UWVGGRQHSA-N 328.328 3.828 10 1 EHCF O=C1c2ccc3ccccc3c2C(=O)[C@H]1c1cc(=O)c2ccccc2[nH]1 4123889 USLSQKYMBMSUSM-FQEVSTJZSA-N 339.350 3.844 10 1 EHCF CC(=O)Nc1ccc(N2N=C(C)[C@@H](/N=N\c3ccccc3)C2=O)cc1 102110758 CWPUTESRMBVLGF-QBEKEKFNSA-N 335.367 3.520 10 1 EHCF CC(C)=CCCc1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O 95485971 ZJGKGOKRPNKFBK-UHFFFAOYSA-N 342.347 3.667 10 1 EHCF biogenic,in-vitro COc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)nc1 140779409 OWOSQIZIJWIJDC-UHFFFAOYSA-N 339.347 3.936 10 1 EHCF CC(C)[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2O)N1 224371 ONXPZFWAQCUISZ-OXQOHEQNSA-N 338.407 3.627 10 3 EHCF COc1ccc2c(c1OC)[C@H](c1cccc(F)c1O)N(C)[C@H](C)C2 962574169 PGKQHGNWKHZINU-DIFFPNOSSA-N 331.387 3.514 10 1 EHCF CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c(O)c1)C2 29123827 IMMWANKYSKQCQN-FEAYWXOISA-N 332.396 3.575 10 1 EHCF in-vivo CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3ncnn32)cc1 618016584 IIGCSTNFXKHLKH-GOSISDBHSA-N 337.427 3.796 10 1 EHCF CC(=O)N1CCC(c2[nH]nc(O)c2/N=N/c2ccc(F)cc2F)CC1 17545137 LTCQLMCGJXKTFG-XUTLUUPISA-N 349.341 3.535 10 1 EHCF CC(C)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@]2(C)O3 238769152 SCQXHETZRUJEHL-ZSXPUABSSA-N 346.467 3.949 10 1 EHCF O=C(O)c1cccc2c1CCN[C@@H]2c1cc(Cl)c(Cl)cc1O 963121641 KGBJSXNZVCHERE-HNNXBMFYSA-N 338.190 3.632 10 1 EHCF NC(=O)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O 103215250 IQYIAJRMJBFLAC-UHFFFAOYSA-N 342.786 3.506 10 1 EHCF O=C(OCCCCCCc1ccccc1)c1cc(O)c(O)c(O)c1 13513672 XPSQLJPYMGXWMB-UHFFFAOYSA-N 330.380 3.763 10 1 EHCF C[C@H](CO)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@H]1C[C@H]2O3 2356459928 DXVLVCFPZPFOFU-WHVAKHJCSA-N 332.440 3.776 10 1 EHCF O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)C1[C@@H]2CCCC[C@@H]12 103968162 DKMSIWCEBUZWEM-VYYAEXBKSA-N 328.328 3.828 10 1 EHCF O=C(CCn1cnc2ccccc21)/N=N\c1c(O)[nH]c2ccccc12 102634282 PBCLVRDXTUXKOC-DQRAZIAOSA-N 333.351 3.924 10 1 EHCF CCCCC=Cc1cc2c(cc1O)C(=O)c1cc(O)cc(O)c1C2=O 2356380333 AYWWZVJMILKXMO-UHFFFAOYSA-N 338.359 3.782 10 1 EHCF Oc1ccc(C[C@H]2CC(CCCc3ccc(O)c(O)c3)=NO2)cc1 49112821 FETVKTXEUKYVDO-KRWDZBQOSA-N 327.380 3.514 10 1 EHCF COC(=O)[C@@H](C)c1ccc(-c2ccc(O)c(CN(C)C)c2)c(F)c1 1857541415 YTPPMLWYUBANDI-LBPRGKRZSA-N 331.387 3.536 10 1 EHCF CC(C)=CCc1ccc2[nH]c3c(c2c1)C(=O)C(=O)[C@H](C)[C@@H]3C[C@H](C)O 2356340239 KKGHIBVDYCUPSN-GUTXKFCHSA-N 339.435 3.933 10 1 EHCF CCOC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12 34058934 YEOCARBJULMLJM-MJVIPROJSA-N 327.302 3.602 10 1 EHCF O=C(c1ccc(O)c(O)c1)c1cnc(NCc2ccc(F)cc2)s1 40955289 RTZLZRXQFPSACE-UHFFFAOYSA-N 344.367 3.537 10 1 EHCF CC(C)=CCC[C@H](C)[C@@H]1C[C@@H](O)[C@@H](CO)c2c1cc(C)c(O)c2O 14696793 ZBGOKIQGJBSXMG-GUDXXQAFSA-N 334.456 3.713 10 1 EHCF biogenic Cc1ccc([C@@H](C)/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1C 49072337 KSRKZPWHZIQCQE-IGVUGNCQSA-N 349.477 3.626 10 1 EHCF O=C1c2cccnc2C(=O)c2c1c(Cc1ccccc1)c1ccccn21 1857768746 SSILBNXVHLXALM-UHFFFAOYSA-N 338.366 3.701 10 1 EHCF CN1CCc2cc(Br)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 28220764 SETZXJXEHHDPBP-CYBMUJFWSA-N 346.224 3.612 10 1 EHCF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccc(N)cc1)O2 27434101 HGKMGILXLZAAGD-FQEVSTJZSA-N 340.423 3.622 10 1 EHCF CCOC(=O)c1ccc(NCc2cc3c(cc2O)CCCO3)cc1 28007849 ZGJRBUZKJNFARF-UHFFFAOYSA-N 327.380 3.506 10 1 EHCF Oc1ccc(/C=C/c2cc(/C=C/c3ccc(O)c(O)c3)[nH]n2)cc1O 299829768 HZXJTOCCOHUMPC-IJIVKGSJSA-N 336.347 3.573 10 1 EHCF OCC1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2O)CC1 12762976 KRQWYVBOQVBEOD-UHFFFAOYSA-N 345.870 3.863 10 1 EHCF Cn1c2c(c3ccc(Br)cc3c1=O)C(=O)c1ccccc1-2 95582048 OXNMWWBLBSNMCG-UHFFFAOYSA-N 340.176 3.512 10 1 EHCF Cc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1C 101930832 QPVNZLKXUDAYEU-VHEBQXMUSA-N 329.381 3.963 10 1 EHCF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@H]3CC[C@]12C 5166620 KAQDVJJRJUJFIH-BKRJIHRRSA-N 330.424 3.886 10 1 EHCF CCCc1ccc2c(O)c3c(cc2c1O)C(=O)c1cccc(O)c1C3=O 2356804123 XQXQAECIIQJBHL-UHFFFAOYSA-N 348.354 3.685 10 1 EHCF CCc1ccc(CC)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1 587925739 UACBCJHMYKBIGA-KRWDZBQOSA-N 343.423 3.556 10 1 EHCF O=C(O)c1cc(-c2ccc(-c3ccc(O)cc3)c(O)c2O)ccc1O 299852440 SBUPZQMUNPYUJC-UHFFFAOYSA-N 338.315 3.541 10 1 EHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2O)N1 587830570 DNBIAUJKXTYTJB-FVMDXXJSSA-N 336.204 3.917 10 1 EHCF C[C@@H](CO)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O 86004591 YNCLENYSOZNFFY-ORBZYBPHSA-N 332.440 3.864 10 1 EHCF Cn1ncc2cc(-c3cccnc3NCc3ccccc3O)ccc21 621430384 SSTNTORWEGASHT-UHFFFAOYSA-N 330.391 3.953 10 1 EHCF N=c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c[nH]1 587077895 BPGJGBJSUFBLGB-RVPKQNPDSA-N 337.814 3.850 10 1 EHCF CCc1ccc(CC)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1 587925743 UACBCJHMYKBIGA-QGZVFWFLSA-N 343.423 3.556 10 1 EHCF Cc1ccnc2c1CCN[C@@]2(c1ccccc1)c1cc(F)ccc1O 963087719 LKUBCWFKBXRWAJ-NRFANRHFSA-N 334.394 3.672 10 1 EHCF CCCCc1nnc(-c2cc3c(s2)C(=O)c2ccccc2C3=O)o1 1772575032 KSPYLDABKVIWKL-UHFFFAOYSA-N 338.388 3.916 10 1 EHCF CCc1ccc2[nH]c3nc(/N=N/Cc4ccc(O)cc4O)nnc3c2c1 169691601 LXKQHHBFQSNZES-FCDQGJHFSA-N 348.366 3.764 10 1 EHCF C/C=C/c1ccc(O[C@H](C)[C@H](O)c2ccc(O)c(O)c2)c(OC)c1 199050849 JHOZAHGAFHAOBZ-BZHSEUNMSA-N 330.380 3.640 10 1 EHCF O=C(OC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 104194514 ICOHVCVFOZOLOK-MPGHIAIKSA-N 341.407 3.715 10 1 EHCF COc1ccc(N2CC[C@H](N)[C@@H](c3ccc(C)c(C)c3)C2)cc1OC 28821827 WKWHPPKMVLQTBL-MOPGFXCFSA-N 340.467 3.642 10 1 EHCF CCc1ccc(/C=C2\SC(NC(=O)c3ccc(C)cc3)=NC2=O)o1 28888606 OSBVKMCJBMDAMR-GDNBJRDFSA-N 340.404 3.551 10 1 EHCF O=C1CCCN1[C@@H](c1ccc(O)cc1O)c1c(O)ccc2ccccc12 1772635086 OJUJBVNMGMKMSI-NRFANRHFSA-N 349.386 3.668 10 1 EHCF CCOc1ccc(O)c([C@@H]2N[C@H]3CC[C@@H]3c3ccc(OC)cc32)c1 962994270 KKBAMLRBCFDPIB-MOXGXCLJSA-N 325.408 3.738 10 1 EHCF COc1ccc(N2CC[C@@H](N)[C@@H](c3ccc(C)c(C)c3)C2)cc1OC 28821826 WKWHPPKMVLQTBL-RTBURBONSA-N 340.467 3.642 10 1 EHCF CC(C)=CCC[C@H](C)[C@@H]1c2cc(C)c(O)c(O)c2[C@H](CO)C[C@@H]1O 14696819 IFLDGBYQZQEKOH-ZFZWDLNGSA-N 334.456 3.713 10 1 EHCF biogenic CN1c2ccccc2C(=O)N2CCc3c([nH]c4c(Cl)cccc34)[C@H]21 95553885 QDPYSIUAVXUUKD-SFHVURJKSA-N 337.810 3.968 10 1 EHCF Cc1cc(/N=N/Cc2ccc(O)cc2O)nc(-c2ccccc2O)n1 169691729 IGFZUQFZOZPTTK-ZBJSNUHESA-N 336.351 3.853 10 1 EHCF CCOC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(OC)cc1 96937639 YPWLBDNLFMHNDQ-QGZVFWFLSA-N 340.379 3.708 10 1 EHCF COc1cc2c3c(c1OC)N(c1ccc(F)cc1)C[C@@H]3CN(C)CC2 28108127 SMWRVQMZVOVXSA-AWEZNQCLSA-N 342.414 3.566 10 1 EHCF COc1cccc2c1C(=O)c1c(ccc(Cc3ccccc3)c1O)C2=O 13454723 FCAYXICZJCDYIK-UHFFFAOYSA-N 344.366 3.767 10 1 EHCF NCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 1857647139 SPWUEUZZBGDFKX-VBKFSLOCSA-N 340.473 3.514 10 1 EHCF CC[C@@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2O)N1 4729728 WZZIWDXHFLCAFY-JXFKEZNVSA-N 338.407 3.771 10 3 EHCF aggregator O=C1c2ccccc2-c2nnc(-c3ccc(C4CCNCC4)cc3)cc21 40822645 MRHAJDJHZLHTFZ-UHFFFAOYSA-N 341.414 3.822 10 1 EHCF CN(C(=O)c1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 5843976 LNOQVWKCKYDUIJ-UHFFFAOYSA-N 341.366 3.739 10 1 EHCF CCC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2c(c1O)NCCC2 38142073 RJLYITMFWGKNQN-OAHLLOKOSA-N 334.803 3.612 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@@H]1C[C@@H]2O 13383638 XMKKZBYHMFTMOJ-YRVVQQKDSA-N 348.439 3.807 10 1 EHCF biogenic COc1ccc2c(c1OC)[C@@H](c1cccc(F)c1O)N(C)[C@@H](C)C2 962574167 PGKQHGNWKHZINU-APPDUMDISA-N 331.387 3.514 10 1 EHCF Cc1ccc(C)n1-c1cc(-n2c(C)ccc2C)c2nc(N)nc(N)c2c1 169344352 QLCFYELXZFYCMZ-UHFFFAOYSA-N 346.438 3.609 10 1 EHCF CC[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 102864461 SZHICFXLANQKCX-OXJNMPFZSA-N 338.407 3.522 10 1 EHCF CCN(CC)C(=O)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O 653713034 NUNYHMTUKBVIOB-UHFFFAOYSA-N 347.823 3.659 10 1 EHCF COc1cc(O)ccc1-c1ccc2c(c1)NC(=O)/C2=C\c1cc[nH]c1 14956273 VNBRAAKLEFKSKY-IUXPMGMMSA-N 332.359 3.889 10 1 EHCF Nc1nn2c(C(F)(F)F)cc(O)nc2c1/N=N\c1cccc(F)c1 102642273 FDBJTLYIYOVPFQ-MRCUWXFGSA-N 340.240 3.590 10 1 EHCF CC1(C)CCc2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1 71280859 NGSINOKBOZUYSN-UHFFFAOYSA-N 338.359 3.975 10 1 EHCF COc1ccc2c(c1OC)[C@](C)(c1cccc(F)c1O)N(C)[C@H](C)C2 962631973 OIOBFFOWNASTDX-ODXCJYRJSA-N 345.414 3.688 10 1 EHCF Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(CC(F)(F)F)CC3 27517448 RBPGCCWXYDPSBT-CYBMUJFWSA-N 335.325 3.782 10 1 EHCF CC(C)[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2O)N1 4729602 ONXPZFWAQCUISZ-JXFKEZNVSA-N 338.407 3.627 10 3 EHCF CCCn1c2c(c3ccc(O)cc31)CCn1c-2nc2ccccc2c1=O 1911579850 SDLGHTFASQUKLD-UHFFFAOYSA-N 345.402 3.690 10 1 EHCF CC1=NN(C(=O)COc2ccc(Cl)cc2)[C@H](c2ccccc2O)C1 653718525 UXYHDQHEVOBOJH-INIZCTEOSA-N 344.798 3.774 10 1 EHCF CC(C)Cc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 13762030 JUSHFFHTINWVIE-HNAYVOBHSA-N 329.465 3.908 10 1 EHCF CCC(=O)N[C@@H](c1cc(Cl)c2cccnc2c1O)c1cccn1C 38142069 MQDUWUKYYLEYCB-INIZCTEOSA-N 343.814 3.548 10 1 EHCF [N-]=[N+]=NC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 40391542 VVJJZRJYRNMJDR-HZPDHXFCSA-N 347.806 3.591 10 1 EHCF O=C(O)c1ccc(O)c([C@H]2NCCc3cccc(-c4ccccc4)c32)c1 962667637 PGUDLYHUBRIXNQ-OAQYLSRUSA-N 345.398 3.993 10 1 EHCF Oc1ccc2oc(Cc3ccccc3)cc2c1CN1CCC(O)CC1 103262347 LOZLXXRVMRXAQK-UHFFFAOYSA-N 337.419 3.686 10 1 EHCF C[C@H](NCCc1ccccc1)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857651842 ZCMLKNWDRDYRSO-AWEZNQCLSA-N 345.398 3.948 10 1 EHCF COc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)[C@@H](C)[C@@H](C)C2 72108563 JXDLWXZAEIQIQO-ADWYPQAOSA-N 344.407 3.781 10 1 EHCF in-vitro CC(C)CNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 59932949 LBADWXJWSCBMAL-HEHGZKQESA-N 338.373 3.931 10 3 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](CC3=O)[C@H]2O 2356376900 ZPGPREPDSQALNB-MIUWGIHTSA-N 344.451 3.921 10 1 EHCF COc1cc(/C=C\c2nc3cc(Cl)c(F)cc3[nH]2)cc(O)c1O 587784727 CNOHAFOBBDHDMV-IHWYPQMZSA-N 334.734 3.946 10 1 EHCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@H]21 38493459 JRFFOXJCEIYNGB-SFHVURJKSA-N 337.810 3.968 10 1 EHCF CCn1c2c(c3ccc(OC)cc31)CCn1c-2nc2ccccc2c1=O 1911579588 QYHQLFYDVPFGDH-UHFFFAOYSA-N 345.402 3.603 10 1 EHCF CC(C)CNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 15952404 LBADWXJWSCBMAL-IOASZLSFSA-N 338.373 3.931 10 1 EHCF COc1c(C=CC(C)C)cc(C(=O)c2cccc(O)c2)c(O)c1O 2356475824 REGLPHMRGPAILU-UHFFFAOYSA-N 328.364 3.712 10 1 EHCF CCc1ccc2c(O)c3c(cc2c1)C(=O)c1cccc(OC)c1C3=O 15204912 MCECKNWHWTWOFS-UHFFFAOYSA-N 332.355 3.892 10 1 EHCF biogenic CCOC(=O)c1sc2nc(-c3ccc(OC)cc3)ccc2c1N 6870132 QAEULLIFSZVEQW-UHFFFAOYSA-N 328.393 3.731 10 1 EHCF COc1cc(/C=C\c2nc3c(C)cnc(Cl)c3[nH]2)cc(O)c1O 587786894 YNACLENITGAKMA-ARJAWSKDSA-N 331.759 3.510 10 1 EHCF CC(C)=CCc1ccc2[nH]c3c(c2c1)C(=O)C(=O)[C@H](C)[C@H]3C[C@H](C)O 2356340240 KKGHIBVDYCUPSN-GZBFAFLISA-N 339.435 3.933 10 1 EHCF c1ccc(CCc2ccc3n2Cc2cnnn2-c2ccccc2-3)cc1 61942383 IXTFEBNLJGEKPC-UHFFFAOYSA-N 326.403 3.883 10 3 EHCF C[C@@H]1Oc2cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3cc2C1(C)C 2356666770 OUMROOGWSGORIY-JTQLQIEISA-N 338.359 3.930 10 1 EHCF O=c1ccc([C@H]2Nc3ccccc3N[C@H]2c2ccc(Cl)cc2)n[nH]1 103295640 QNGXZQIGFZUCFF-ZWKOTPCHSA-N 338.798 3.743 10 1 EHCF CN(C)c1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114339799 IISNQHYBSOMGPJ-IBGZPJMESA-N 349.482 3.705 10 1 EHCF CN(CCO)c1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 587192739 AUONAPHKLGYAQU-UHFFFAOYSA-N 336.222 3.965 10 1 EHCF CC(C)(CC(=O)O)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587954913 CTACRAFNNWDXEZ-UHFFFAOYSA-N 339.395 3.981 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@]1(CO)CCCC(C)(C)[C@@H]1CC2=O 14774503 PUXJVXOVZKVJTD-YWZLYKJASA-N 332.440 3.864 10 1 EHCF biogenic CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](CC3=O)[C@@H]2O 2356376901 ZPGPREPDSQALNB-NUMXXLJMSA-N 344.451 3.921 10 1 EHCF Clc1ccc2c(c1)Oc1cc(Cl)ccc1N2CCc1nn[nH]n1 621485889 RQRAPRHMWJZYMY-UHFFFAOYSA-N 348.193 3.993 10 1 EHCF COc1cccc2cc3c(nc12)[C@H](c1c(C)cc(C)cc1O)NCC3 963040479 XCWRBXXEIUWNOV-NRFANRHFSA-N 334.419 3.801 10 1 EHCF COC(=O)C[C@H](C)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587784051 DJFSQKMOVAMTJX-GFCCVEGCSA-N 339.395 3.679 10 1 EHCF CC(C)=CCc1cc2c(cc1O)O[C@H]1c3ccc(O)c(O)c3OC[C@@H]21 36375372 SZNSHIQLQZDXHP-LIRRHRJNSA-N 340.375 3.922 10 1 EHCF biogenic CC(C)CNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169301983 LBADWXJWSCBMAL-WWGRRREGSA-N 338.373 3.931 10 1 EHCF O=c1cc(-c2ccc(Br)cc2)oc2c(O)c(O)ccc12 1772627247 XBRRFSDJLBCXTE-UHFFFAOYSA-N 333.137 3.634 10 1 EHCF CC[C@H](C)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 1857637433 BZCBPVOMBVKXOO-JTQLQIEISA-N 342.347 3.754 10 1 EHCF CN(C)c1ccc(/C=C/c2ccc(OC[C@@H](CO)CF)cc2)cc1 13673440 DOBWIGMMBODBND-OAJJDEHYSA-N 329.415 3.880 10 1 EHCF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(O)c(O)cc31)CC2=O 587477398 FZTOUAJNVZJAEG-FQEVSTJZSA-N 340.375 3.563 10 1 EHCF CC1=NN(C(=O)COc2ccc(Cl)cc2)[C@@H](c2ccccc2O)C1 653718526 UXYHDQHEVOBOJH-MRXNPFEDSA-N 344.798 3.774 10 1 EHCF O=C(O)c1csc(/N=N/Cc2ccc(Br)cc2)n1 169688225 YFPOKYCKMBWYDQ-FYWRMAATSA-N 326.175 3.888 10 1 EHCF O=C1NC(=S)S/C1=C\c1csc(-c2cccc(Cl)c2)n1 1772600009 DZPCVBYITKRDLK-YHYXMXQVSA-N 338.866 3.952 10 1 EHCF Nc1[nH]n2c(=O)c3c(nc2c1/N=N/c1ccc(Cl)cc1)CCCC3 169689440 LJZCNSIBHOCJPZ-QZQOTICOSA-N 342.790 3.552 10 1 EHCF CN[C@H](c1cccnc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587227542 ZIYDJOMZSHEQBS-LJQANCHMSA-N 345.406 3.641 10 1 EHCF COc1cc(OC)c(OC)cc1C/N=N/c1nc2ccccc2[nH]1 169693921 QPLFWPUIAGBADU-DYTRJAOYSA-N 326.356 3.873 10 1 EHCF CCOC(=O)c1sc2nc(-c3cccc(OC)c3)ccc2c1N 95605861 JPCLGXJDFJCDNY-UHFFFAOYSA-N 328.393 3.731 10 1 EHCF COc1cc(C[C@H](C)[C@@H](C)c2cc(O)c(O)c(OC)c2)ccc1O 217086547 ZZYMCNQFEJEDAR-NWDGAFQWSA-N 332.396 3.803 10 1 EHCF O=C(O)c1ccc(OCCCCCCc2cccc(O)c2O)cc1 27089949 DAJNLGKWDNHNCU-UHFFFAOYSA-N 330.380 3.978 10 1 EHCF CC1(C)CCC[C@]2(C)c3c(oc4c(C(N)=O)c(O)c(O)cc34)CC[C@@H]12 66251495 DMLBHPHELLAETA-RBZFPXEDSA-N 343.423 3.973 10 1 EHCF CCN(CC)C(=S)/N=N\c1c(O)n(CN(C)C)c2ccccc12 28526499 RPSBGUOAJWDQNX-ZCXUNETKSA-N 333.461 3.576 10 1 EHCF COc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccc(C)cc23)cc1 103960741 COKXLRWZEQWEJR-VHEBQXMUSA-N 345.380 3.663 10 1 EHCF COc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccc(Cl)cc1 169723249 XUCZYXYTKGURIY-CZIZESTLSA-N 329.747 3.842 10 1 EHCF CCOc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O 84668396 LGZLWCDGXVHXKW-UHFFFAOYSA-N 349.433 3.806 10 1 EHCF NC(=S)N=Nc1c(O)n(Cc2ccc(F)cc2)c2ccccc12 299813095 JLJNYCOTJDVCSB-UHFFFAOYSA-N 328.372 3.862 10 1 EHCF COc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685220 SAPYVGYEUFHIAF-ZNTNEXAZSA-N 345.366 3.503 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@H]2OC3 2356740944 XXQLUHIXNZKHDC-JPLJXNOCSA-N 332.440 3.731 10 1 EHCF O=C(CCc1ccc(O)c(O)c1)n1nc2cc1Oc1ccc(F)cc1-2 587874002 RVPQGEZOHANPDR-UHFFFAOYSA-N 340.310 3.479 10 1 EHCF O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1Br 49802853 BLBIAYPHFDTXAX-SOFGYWHQSA-N 334.169 3.512 10 1 EHCF COc1cc(/C=C/c2nc3ccc(OC(C)C)cc3[nH]2)cc(O)c1O 587784765 CXKJGDOXZWSZHY-QPJJXVBHSA-N 340.379 3.940 10 1 EHCF CS(C)=C(C(=O)CCc1ccccc1)C(=O)Cc1ccccc1 40423342 JJHQOFPXYJHAJP-UHFFFAOYSA-N 326.461 3.701 10 1 EHCF CCOC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169299739 YEOCARBJULMLJM-SUNKGSAMSA-N 327.302 3.602 10 1 EHCF C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O 86004593 YNCLENYSOZNFFY-SZELWCTASA-N 332.440 3.864 10 1 EHCF C[C@@]1(c2cc(O)c(O)cc2O)NCCc2c(Cl)cc(Cl)cc21 963126965 YHCBNMLRJSPQCF-MRXNPFEDSA-N 340.206 3.519 10 1 EHCF O=C1CCCN1[C@H](c1ccc(O)cc1)c1c(O)ccc2ccccc12 1772605518 KYEJFUIOYKITLX-OAQYLSRUSA-N 333.387 3.963 10 1 EHCF CCN1CCN(Cc2ccc(CCCc3ccccc3)cc2O)CC1 473107765 KOQKLLZVVSSLAV-UHFFFAOYSA-N 338.495 3.705 10 1 EHCF CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc1 104703605 LQADAGHNZCFAIP-KRWDZBQOSA-N 337.427 3.652 10 1 EHCF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCO 84687160 NBDGCYGVKPROEU-UHFFFAOYSA-N 347.414 3.766 10 1 EHCF O=C(CCCSc1nc2ccccc2[nH]1)c1ccc(O)c(O)c1 13782391 YOBCSGZVVJALOI-UHFFFAOYSA-N 328.393 3.729 10 1 EHCF CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 64235785 VLWAGBKSSXYAAU-HXUWFJFHSA-N 331.419 3.808 10 1 EHCF COc1ccc2c(c1OC)[C@H](c1cc(C)cc(C)c1O)N(C)[C@H](C)C2 962641765 UMQDXXFLYZMSOT-KUHUBIRLSA-N 341.451 3.992 10 1 EHCF C[C@H](Nc1ccccc1C(=O)c1ccc(Br)cc1)C(=O)O 53044880 PQFLVBSSTNVABR-JTQLQIEISA-N 348.196 3.565 10 1 EHCF Cc1ccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)cc1 169685235 QCFHHIZFGHYOGP-ZNTNEXAZSA-N 329.367 3.803 10 1 EHCF CON(C)Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12 1772587698 PZSGPBSFMPTGGM-UHFFFAOYSA-N 335.359 3.780 10 1 EHCF c1ccc(CN2CC[C@H]3C[C@@H]2c2ccc(N4CCOCC4)cc23)cc1 61924061 OTAPEGBXOAAYTQ-PGRDOPGGSA-N 334.463 3.958 10 1 EHCF CC(C)(O)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3 238789743 IFNZKLIYPYMPMH-PJSUUKDQSA-N 332.440 3.864 10 1 EHCF COc1cccc(-c2n[nH]c3c(/N=N/Cc4ccncc4)ncnc23)c1 169685225 AAOVCUZTOYSLHK-YYDJUVGSSA-N 345.366 3.707 10 1 EHCF CCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)[C@@H]31 95555166 VIJIPQBUEAJGIL-HXUWFJFHSA-N 347.418 3.714 10 1 EHCF c1ccc(CN2CC[C@@H]3C[C@H]2c2ccc(N4CCOCC4)cc23)cc1 104158926 OTAPEGBXOAAYTQ-GCJKJVERSA-N 334.463 3.958 10 1 EHCF CCCc1ccc(O)c([C@@]2(C)NCCc3c2c(C(C)C)nn3C)c1 962912655 AHZTUWBTQAGSEZ-HXUWFJFHSA-N 327.472 3.611 10 1 EHCF CC1(C)OC(=O)C(N=Nc2ccc(Br)cc2)=C(O)O1 253981469 ACIDLJYMHHRICV-UHFFFAOYSA-N 327.134 3.569 10 1 EHCF CN(CCO)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587192851 GUBCYRKHMRHASW-UHFFFAOYSA-N 336.222 3.965 10 1 EHCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccccc1 73279958 CPVWMCNXWQGJBX-UHFFFAOYSA-N 348.402 3.569 10 1 EHCF C[C@@H]1Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2C1(C)C 71295935 BMQYTTWLJMDLLS-JTQLQIEISA-N 338.359 3.930 10 1 EHCF CCOC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccc(OC)cc1 96937638 YPWLBDNLFMHNDQ-KRWDZBQOSA-N 340.379 3.708 10 1 EHCF CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N\N1CCSCC1 102402075 HBMNUHXPDAGUEP-HNENSFHCSA-N 336.392 3.531 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC2=O 14774362 BJDDFWYEMCOHPH-BXTJHSDWSA-N 332.440 3.862 10 1 EHCF biogenic Cc1cc(O)cc(C)c1NS(=O)(=O)c1ccc2ccccc2c1 3120932 OYVQIPJPZFHOCZ-UHFFFAOYSA-N 327.405 3.963 10 3 EHCF COc1cc(/C=C/c2nc3cnc4ccccc4c3[nH]2)cc(O)c1O 587786388 SYHQLDZJZPKTGD-VOTSOKGWSA-N 333.347 3.701 10 1 EHCF Cc1cc(N(C)C)cc(C)c1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963023198 LOEQXJYRMVZBHY-QRQCRPRQSA-N 349.478 3.512 10 1 EHCF CC(C)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@H]1[C@@H](O)[C@@]2(C)O3 2356620430 SCQXHETZRUJEHL-QCFAMHMHSA-N 346.467 3.949 10 1 EHCF CCCCc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O 45354707 IYLTWWKPIYTJAW-UHFFFAOYSA-N 342.347 3.625 10 1 EHCF COc1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3ccc(C)cc23)cc1 617960044 COKXLRWZEQWEJR-UHFFFAOYSA-N 345.380 3.663 10 1 EHCF CC(C)=CCc1ccc2[nH]c3c(c2c1)C(=O)C(=O)[C@H](C)[C@@H]3C[C@@H](C)O 2356340241 KKGHIBVDYCUPSN-NFAWXSAZSA-N 339.435 3.933 10 1 EHCF CCOC(=O)/C=C\c1ccc(O)c2c1C=Cc1cc(O)c(O)cc1O2 95919070 WIXDFLWXLUYIGH-YVMONPNESA-N 340.331 3.656 10 1 EHCF biogenic,in-vitro CCOC(=O)/C=C/c1ccc(/C=C/c2cc(O)c(O)c(O)c2)cc1 1772637323 NRHXRSLHEHBHNG-XBLVEGMJSA-N 326.348 3.550 10 1 EHCF CN1c2ccc(Cl)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 95555950 YPANHQUQZMGGSB-SFHVURJKSA-N 337.810 3.968 10 1 EHCF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC(=CO)C(=O)O2 2356594199 LUCOQXWMBYAVDV-UTNZCHACSA-N 334.456 3.737 10 1 EHCF Oc1cc2c(cc1O)CCC(c1cc(O)c(O)c3c(O)cccc13)=C2 85569228 BQWLISRQRJLFLR-UHFFFAOYSA-N 336.343 3.855 10 1 EHCF biogenic,in-vitro Nc1ccc(Oc2ccc3nc([C@@H](O)c4cccc(O)c4)[nH]c3c2)cc1 586893869 XHVOFVJEXJNNHF-IBGZPJMESA-N 347.374 3.725 10 1 EHCF CC(C)=CCc1c(O)ccc2c1OC[C@@H]1c3cc(O)c(O)cc3O[C@H]21 14819666 JCVINYPLRARDTP-JLTOFOAXSA-N 340.375 3.922 10 1 EHCF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2O)N1 587833110 LWUPNKJWPBCBDX-FVMDXXJSSA-N 336.204 3.917 10 1 EHCF COc1c[c-](C/N=N/c2nc3ccccc3s2)cc([N+](=O)[O-])c1=O 169689602 RBYPKXWLLUUFIG-FBMGVBCBSA-N 343.344 3.576 10 1 EHCF CC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 102864457 SZHICFXLANQKCX-JXFKEZNVSA-N 338.407 3.522 10 1 EHCF Cc1ccc(/N=N/c2c(N)[nH]n3c(=O)cc(-c4ccccc4)nc23)cc1 169688046 QWPIQPRIAKLIGZ-GHVJWSGMSA-N 344.378 3.996 10 1 EHCF CCN(CC)CCNc1ccc2ncnc3c2c1C(=O)c1ccccc1-3 13589936 VEUYFACVFHJLIV-UHFFFAOYSA-N 346.434 3.595 10 1 EHCF COc1c(O)c(CC=C(C)C)cc2c(=O)c3c(O)c(O)ccc3oc12 14763034 SABIIYLLDNDAHN-UHFFFAOYSA-N 342.347 3.580 10 1 EHCF biogenic,in-vitro CN(Cc1ccc(O)c(O)c1)C(=O)Cc1ccc(Cl)cc1Cl 473249903 YUOJMERZKOZLBW-UHFFFAOYSA-N 340.206 3.606 10 1 EHCF CN(CCO)c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 587192919 KLOIVHRILLBSDI-UHFFFAOYSA-N 335.329 3.677 10 1 EHCF CC[C@H](C)C(=O)[C@H]1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O 100772809 GDCZKZRPSCZJKH-GJZGRUSLSA-N 332.440 3.638 10 1 EHCF endogenous,in-man COc1ccc(C2=NN[C@@H](c3ccc(Br)cc3)C2)c(O)c1 120727 KVTHQPZKGLQGBJ-CQSZACIVSA-N 347.212 3.602 10 1 EHCF CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(S)cc32)CC1 22939885 FSMMNOOABRVLIP-QGZVFWFLSA-N 342.533 3.971 10 1 EHCF O=C1c2c(ccc(O)c2O)CN1Cc1cccc(Cc2ccccc2)c1 28967081 RTJHAVIZYBVFCN-UHFFFAOYSA-N 345.398 3.845 10 1 EHCF CCCSc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 205700938 AGGSWLSLFUBEQW-UHFFFAOYSA-N 340.429 3.969 10 1 EHCF CC(C)(C)c1cc(/C=C2/SC(N)=NC2=O)cc2c1OCC2(C)C 27103425 LHPHUWHRXSEAME-MDWZMJQESA-N 330.453 3.583 10 1 EHCF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@H]1CC(=CO)C(=O)O2 2356594197 LUCOQXWMBYAVDV-QYSKAWQBSA-N 334.456 3.737 10 1 EHCF CC(C)=CCc1c(O)ccc2c1OC[C@@H]1c3cc(O)c(O)cc3O[C@@H]21 14819664 JCVINYPLRARDTP-VLIAUNLRSA-N 340.375 3.922 10 1 EHCF biogenic COc1cc(CCC(=O)CCCCc2ccc(O)c(O)c2)ccc1O 226389156 YHZDCZYZLPBRTC-UHFFFAOYSA-N 344.407 3.727 10 1 EHCF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1ccc(C)c(C)c1O 963604029 DJDVWPNSEHOANV-LRTDBIEQSA-N 341.451 3.824 10 1 EHCF COC(=O)c1ccc(-n2c(C)ccc2C(C)C)c(O[C@@H]2CCOC2)c1 587925213 QAOCDOKMNGLXPV-MRXNPFEDSA-N 343.423 3.863 10 1 EHCF O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)C1[C@H]2CCCC[C@@H]12 103968156 DKMSIWCEBUZWEM-DLBXCIBHSA-N 328.328 3.828 10 1 EHCF CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccccc3N(C)C)cc21 204967344 SPQXHLWSWJVURN-UHFFFAOYSA-N 332.407 3.631 10 1 EHCF CN1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccccc1Br 1857619357 PUMDJZOMWDDEEH-HNNXBMFYSA-N 348.240 3.632 10 1 EHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2O)N1 587833113 LWUPNKJWPBCBDX-JDNHERCYSA-N 336.204 3.917 10 1 EHCF CCCCc1c(C)sc2nc(-c3ccc(O)c(O)c3)[nH]c(=O)c12 96907904 DQVXYTBGORBGDA-UHFFFAOYSA-N 330.409 3.714 10 1 EHCF COc1cc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2)ccc1O 4143097 OQLBOABYGNLZGG-HNNXBMFYSA-N 334.375 3.698 10 1 EHCF CCOC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21 34058935 YEOCARBJULMLJM-COPLHBTASA-N 327.302 3.602 10 3 EHCF CN(C)CCCOc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O 13651664 LXRYHSSVDMLSKF-UHFFFAOYSA-N 349.386 3.539 10 1 EHCF COc1c(O)c(O)c2oc3cccc(O)c3c(=O)c2c1CC=C(C)C 14763096 OQPZXQVAOOHEFP-UHFFFAOYSA-N 342.347 3.580 10 1 EHCF biogenic,in-vitro O=C(Nc1cccc(C(=O)C(=O)c2ccccn2)c1)c1ccc(F)cc1 66251920 BSDRZEMIISFQSU-UHFFFAOYSA-N 348.333 3.539 10 1 EHCF C[C@H]1[C@@H]2Cc3cc(O)ccc3[C@@]1(C)CCN2CCc1ccc(N)cc1 5596341 LLKYTSOOPCPXFC-RXYZOABWSA-N 336.479 3.741 10 1 EHCF O=S(=O)(Nc1ccc(O)c(O)c1)c1ccc(-c2ccccc2)cc1 584905289 OGGBNPCRZSBOOJ-UHFFFAOYSA-N 341.388 3.566 10 1 EHCF in-vitro COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(F)cc(C)c1O 963049915 WMKMLERZJRUETC-IBGZPJMESA-N 338.382 3.632 10 1 EHCF CC(C)CNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169301981 LBADWXJWSCBMAL-DVOMOZLQSA-N 338.373 3.931 10 3 EHCF CCCc1ccc2c(c1)NC(=O)[C@]21NN=C(c2ccc(C)cc2)S1 28824725 ZLQIPOKBETYHMN-IBGZPJMESA-N 337.448 3.751 10 1 EHCF COc1cc(-c2oc3c(OC)cc(C=O)cc3c2C)cc(O)c1O 14649994 OCUCABXDCOOETO-UHFFFAOYSA-N 328.320 3.649 10 1 EHCF biogenic,in-vitro CC(C)CNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 15952405 LBADWXJWSCBMAL-WOSRLPQWSA-N 338.373 3.931 10 3 EHCF Cc1ccc2[nH]c(-c3ccccc3)c(/C=C3/C(=O)NC(=O)N=C3O)c2c1 73139124 YMHBBZKNSBDLPM-UHFFFAOYSA-N 345.358 3.733 10 1 EHCF Cc1ccc(C)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 587936696 MFAXYZNRPJMYRB-UHFFFAOYSA-N 348.288 3.608 10 1 EHCF CCc1ccc(/C=C2\SC(=S)N(CN3CCCCC3)C2=O)cc1 223384481 XBSWYZBWQJVAEQ-VBKFSLOCSA-N 346.521 3.894 10 1 EHCF O=C(O)c1ccc2c(c1)/C(=C\Cn1ccnc1)c1ccccc1CO2 96209998 JXRWSKFOTOHQDH-IDUWFGFVSA-N 332.359 3.606 10 1 EHCF CC(C)CNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]12 59932945 LBADWXJWSCBMAL-XEZPLFJOSA-N 338.373 3.931 10 1 EHCF CN[C@@H](c1cccnc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587227541 ZIYDJOMZSHEQBS-IBGZPJMESA-N 345.406 3.641 10 1 EHCF CC(C)CNc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 219767320 FRZRWFAIWCRGSM-UHFFFAOYSA-N 337.404 3.535 10 1 EHCF CN(C)/C=C/c1nc(C(C)(C)C)cc2c1C(=O)c1ccccc1C2=O 96934765 YXPDOLBPTSDXNP-ZHACJKMWSA-N 334.419 3.687 10 1 EHCF C[n+]1c(/C=C/c2ccc(N3CCOCC3)cc2)ccc2ccccc21 299844687 RHZSWMSVLIQKIA-UHFFFAOYSA-N 331.439 3.671 10 1 EHCF COc1ccc(N2CCC3(CC2)NCCc2cc(C)c(F)cc23)cc1 962095759 XHIJPMJITKUNKW-UHFFFAOYSA-N 340.442 3.784 10 1 EHCF Nc1ccc(NS(=O)(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 1857567354 BJSNZAILLYFETR-CMDGGOBGSA-N 342.342 3.700 10 1 EHCF Cc1ccc(C(=O)Nc2cccc(C(=O)C(=O)c3ccccn3)c2)cc1 66258283 QIDANWKMRYXCIJ-UHFFFAOYSA-N 344.370 3.708 10 1 EHCF COc1c2c(cc3oc4c(O)c(O)ccc4c(=O)c13)OC(C)(C)C=C2 85950743 JROVMPSPNDALET-UHFFFAOYSA-N 340.331 3.550 10 1 EHCF CC[C@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2O)N1 4729734 WZZIWDXHFLCAFY-OXQOHEQNSA-N 338.407 3.771 10 3 EHCF aggregator CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@@H]21 38493458 JRFFOXJCEIYNGB-GOSISDBHSA-N 337.810 3.968 10 1 EHCF O=C(O)c1cccc2c1CCN[C@H]2c1cc(Cl)c(Cl)cc1O 963121643 KGBJSXNZVCHERE-OAHLLOKOSA-N 338.190 3.632 10 1 EHCF O=C1CCCN1[C@@H](c1ccc(O)cc1)c1c(O)ccc2ccccc12 1772605517 KYEJFUIOYKITLX-NRFANRHFSA-N 333.387 3.963 10 1 EHCF [N-]=[N+]=NCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574675 GGRHOZASDNXJFP-UKRRQHHQSA-N 325.324 3.813 10 1 EHCF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(O)c(O)cc31)CC2=O 587477403 FZTOUAJNVZJAEG-HXUWFJFHSA-N 340.375 3.563 10 1 EHCF Nc1ccc(Oc2ccc3nc(Cc4cccnc4N)[nH]c3c2)cc1 587254053 PKNQJPNSSKBAFC-UHFFFAOYSA-N 331.379 3.505 10 1 EHCF CCCC[C@@]1(N=[N+]=[N-])C(=O)[C@@H]2C=CC=C3c4ccccc4N(C1=O)[C@@H]32 73242986 KNJMPWFRRBMENG-SIXWZSSISA-N 334.379 3.793 10 1 EHCF COc1cc(/C=C2\SC(Nc3cccc(F)c3)=NC2=O)ccc1O 95755326 AVVPXILQEHVQKQ-NVNXTCNLSA-N 344.367 3.622 10 3 EHCF COc1ccc([C@H]2O[C@H](c3ccc(O)c(O)c3)[C@@H](C)[C@@H]2C)cc1O 14727701 XEYABMSDSCEFHX-GTXVLXIYSA-N 330.380 3.897 10 1 EHCF biogenic,in-vitro C=C(c1ccc(N(C)C)c(C=O)c1)c1cc(OC)c(OC)c(OC)c1 474609994 YPXBTDBVUBEIRP-UHFFFAOYSA-N 341.407 3.652 10 1 EHCF CC[C@@H](C)Nc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 219759221 YNRQTZNHXUWUTK-SECBINFHSA-N 337.404 3.677 10 1 EHCF CC1=NN(C(=O)CN(CC(C)C)CC(C)C)[C@H](c2ccccc2O)C1 653729206 DTLXDXYHIDHSEQ-SFHVURJKSA-N 345.487 3.656 10 1 EHCF CC1=C/C(=C2\C(=O)N(c3ccccc3)N=C2C)N(c2ccccc2)N1 104021194 XNBHJQLMLNBJIE-VHEBQXMUSA-N 330.391 3.592 10 3 EHCF CCCN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccc(O)cc2)C1 27851263 WVSUWHDLDFTNSQ-INIZCTEOSA-N 347.842 3.857 10 1 EHCF COc1ccc([C@@H]2O[C@H](c3ccc(O)c(O)c3)[C@@H](C)[C@@H]2C)cc1O 14727700 XEYABMSDSCEFHX-DWVIRFORSA-N 330.380 3.897 10 1 EHCF biogenic CCCC[C@]1(N=[N+]=[N-])C(=O)[C@@H]2C=CC=C3c4ccccc4N(C1=O)[C@H]32 299814497 KNJMPWFRRBMENG-OGWOLHLISA-N 334.379 3.793 10 1 EHCF Nc1ccc(CCNc2cc(Br)cc3[nH]ncc23)cc1 1857540212 UUWFBGYSZLXNRD-UHFFFAOYSA-N 331.217 3.562 10 1 EHCF Nc1ccc(CN2N=C(c3ccc(F)cc3)[C@@H]3C=CC=C[C@H]3C2=O)cc1 1857771819 XJNMKMBJQXUXKE-RTBURBONSA-N 347.393 3.513 10 1 EHCF CC(C)(O)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1C[C@H]2OC3 2356405913 IFNZKLIYPYMPMH-ARGWCVDVSA-N 332.440 3.864 10 1 EHCF CC(C)=CC[C@]12COc3cc(O)ccc3[C@@H]1Oc1cc(O)c(O)cc12 14819577 UCYCRJCXEHJRDP-VQTJNVASSA-N 340.375 3.924 10 1 EHCF biogenic O=C(O)c1cc(O)c(O)c2c1c([N+](=O)[O-])c(Cl)c1ccccc12 45369486 KNXDMFACKQCJPS-UHFFFAOYSA-N 333.683 3.664 10 1 EHCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccccn1 103960199 DIEPTTHRLFFSDV-VHEBQXMUSA-N 345.156 3.955 10 1 EHCF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1cccnc1 28641047 PJXSIHBIZRLDQX-UHFFFAOYSA-N 338.366 3.656 10 1 EHCF [N-]=[N+]=NCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574676 GGRHOZASDNXJFP-ZFWWWQNUSA-N 325.324 3.813 10 1 EHCF COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(N(C)C)cc2)c1 169723233 UQAXQDZLQSXXNC-XUTLUUPISA-N 337.383 3.860 10 1 EHCF CCN(CC)c1nc(C=Cc2ccc(N(C)C)cc2)c2nccnc2n1 1857623016 PLVPPGAMUCLKCH-UHFFFAOYSA-N 348.454 3.502 10 1 EHCF CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc1 104703609 LQADAGHNZCFAIP-QGZVFWFLSA-N 337.427 3.652 10 1 EHCF C[C@H](CO)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@@H]1C[C@H]2O3 2356459927 DXVLVCFPZPFOFU-NODDWMGCSA-N 332.440 3.776 10 1 EHCF CCc1cc(O)c2c(c1)C(=O)C(=O)c1c-2cc2cccc(O)c2c1O 238733771 GOBBDYQSJZBNLG-UHFFFAOYSA-N 334.327 3.565 10 1 EHCF CCCOCc1cc(Br)c(O)c(O)c1Br 40845245 KTJLBYXJBGMZCY-UHFFFAOYSA-N 340.011 3.549 10 1 EHCF biogenic C[C@H]1Oc2cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3cc2C1(C)C 2356666771 OUMROOGWSGORIY-SNVBAGLBSA-N 338.359 3.930 10 1 EHCF CCCC[C@@]1(N=[N+]=[N-])C(=O)[C@H]2C=CC=C3c4ccccc4N(C1=O)[C@@H]32 73242987 KNJMPWFRRBMENG-URLQWDBASA-N 334.379 3.793 10 1 EHCF O=C(NCc1c(O)cccc1O)NC1c2ccccc2-c2ccccc21 653792848 BHWNGTQFFCVBOB-UHFFFAOYSA-N 346.386 3.667 10 1 EHCF O=C1C(=O)[C@@H](CSc2ccc(Cl)cc2)C(=O)c2ccccc21 1700881 SJGXMKRGZDXLSB-AWEZNQCLSA-N 330.792 3.697 10 1 EHCF Cc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685234 HERWGYIDDXOSER-ZNTNEXAZSA-N 329.367 3.803 10 1 EHCF COc1ccc(-c2coc3c2C(=O)c2ccccc2C3=O)cc1OC 1857745932 OLEHVZCPKTVDTA-UHFFFAOYSA-N 334.327 3.739 10 1 EHCF CCC(=O)N[C@H](c1cc(Cl)c2cccnc2c1O)c1cccn1C 36380892 MQDUWUKYYLEYCB-MRXNPFEDSA-N 343.814 3.548 10 1 EHCF COc1cc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc(C=O)c1O 1857634239 WFVIVHONFUPYHK-VHEBQXMUSA-N 346.339 3.655 10 1 EHCF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(Cl)cc(C)c1O 963631431 DIOLVWRYVDJSRH-ZMZPIMSZSA-N 347.842 3.995 10 1 EHCF O=C(O)c1ccc(-c2cccc3c2C(=O)c2ccccc2C3=O)cc1 1857609423 MNROZOOVFISMNF-UHFFFAOYSA-N 328.323 3.827 10 1 EHCF Nc1ccc(Oc2ccc3nc(C[S@@](=O)CC4CC4)[nH]c3c2)cc1 586960581 VXFSGNXFSLJUMT-DEOSSOPVSA-N 341.436 3.596 10 1 EHCF COc1cc(/C=C/c2nc3ccc4ncccc4c3[nH]2)cc(O)c1O 587785937 PZIYPCNWAHMWRN-QPJJXVBHSA-N 333.347 3.701 10 1 EHCF C=C/[N+]([O-])=N/CCCCCCCCn1cc(C2(O)CCCCC2)nn1 1857575620 PIDZGLMXZRYAJH-NMWGTECJSA-N 349.479 3.876 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@]1(O)OC2=O 199574649 PWRZUBYNNYEZMT-MOPGFXCFSA-N 334.412 3.548 10 1 EHCF CCC(=O)NC[C@H]1CCc2cc(OC)ccc2N1Cc1ccccc1 473112611 FSEJSMBLNHLXAI-GOSISDBHSA-N 338.451 3.543 10 1 EHCF NCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 45255015 BVZDPPQQURIBAR-CZTZKLFOSA-N 340.511 3.709 10 1 EHCF CC(C)=CCc1ccc2[nH]c3c(c2c1)C(=O)C(=O)[C@H](C)[C@H]3C[C@@H](C)O 2356340242 KKGHIBVDYCUPSN-UMVBOHGHSA-N 339.435 3.933 10 1 EHCF CC(C)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@@H]1C(C)(C)CCC[C@@]21C 6256939 BOJAIXICOJBWOB-QUCCMNQESA-N 346.423 3.776 10 1 EHCF biogenic Cc1cc(C2=NN(C(=O)c3ccncc3)[C@@H](c3ccco3)C2)ccc1O 35013080 PLLXGIICUJSWCR-QGZVFWFLSA-N 347.374 3.680 10 1 EHCF CCOC(=O)c1c(-c2ccccc2)nnc2c1C(=O)c1ccccc1-2 13743544 JYUVJMYEGXFLJW-UHFFFAOYSA-N 330.343 3.532 10 1 EHCF CNC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(O)c(O)c12 1857570369 IYAYUKJCMDLIJS-YCRPNKLZSA-N 345.483 3.978 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@]13CCC[C@](C)(COC1=O)[C@@H]3CC2 1857570755 NEJZCFPJTWECEJ-VHKYSDTDSA-N 330.424 3.768 10 1 EHCF Oc1cccc2c1CN(C(=S)NCCc1ccc(Cl)cc1)CC2 29132024 IWNYKTWYAFTOPX-UHFFFAOYSA-N 346.883 3.521 10 1 EHCF CC(C)[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)N(C)C 587199151 XNDSLIUOUTUTQV-SFHVURJKSA-N 347.418 3.597 10 1 EHCF CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)/C1=C(/O)OCC(C)C 617955665 ILHKUPATHLUUFX-CFBLSMTOSA-N 347.484 3.585 10 1 EHCF C[C@@H](Nc1ccccc1C(=O)c1ccc(Br)cc1)C(=O)O 53044882 PQFLVBSSTNVABR-SNVBAGLBSA-N 348.196 3.565 10 1 EHCF COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OC1CCCC1 29126184 KUIMWRVERMTQQW-GDNBJRDFSA-N 349.477 3.848 10 1 EHCF c1csc(CN2CCN(c3ccc(-c4ncco4)cc3)CC2)c1 95591843 JBMPOQOBNYTDEI-UHFFFAOYSA-N 325.437 3.725 10 1 EHCF COc1ccc(N2CC[C@@H](N)[C@H](c3ccc(C)c(C)c3)C2)cc1OC 142774195 WKWHPPKMVLQTBL-RBUKOAKNSA-N 340.467 3.642 10 1 EHCF NC(=O)N[C@H](c1c(O)ccc2ccccc12)c1c[nH]c2ccccc12 98082294 UPEUMLVXHCJAEY-IBGZPJMESA-N 331.375 3.784 10 1 EHCF COc1ccccc1NCCCn1c2c(c3ccccc31)CCNC2 1857539989 XFBSKFQACDDCCN-UHFFFAOYSA-N 335.451 3.798 10 1 EHCF C[n+]1c2ccccc2c(Nc2ccc(C(N)=O)cc2)c2ccccc21 26937599 ORCJFJSRUMONQN-UHFFFAOYSA-O 328.395 3.660 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC3 199574634 XXQLUHIXNZKHDC-DMUMMCEESA-N 332.440 3.731 10 1 EHCF O=C1c2ccccc2C(=Cc2cc(O)c(O)c(O)c2)c2ccccc21 13524988 WGFDIRBRTGVOAV-UHFFFAOYSA-N 330.339 3.937 10 1 EHCF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@@H]3CC[C@]12C 2356700372 KAQDVJJRJUJFIH-CDDAVODSSA-N 330.424 3.886 10 1 EHCF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(O)c1O 587522552 FVUCIXBFGJPPKP-KRWDZBQOSA-N 340.375 3.692 10 1 EHCF CNC(=O)Cc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922151 KNUIPYNSZSSOJP-UHFFFAOYSA-N 343.427 3.645 10 1 EHCF COc1cc(O)c2c(c1C)C(=O)N1c3ccc(Cl)cc3[C@@H](O)C[C@H]21 28950995 ASXQVKGRIOOBHR-OLZOCXBDSA-N 345.782 3.501 10 1 EHCF CC(C)=CCC[C@H](C)[C@H]1c2cc(C)c(O)c(O)c2[C@H](CO)C[C@H]1O 238745136 IFLDGBYQZQEKOH-SDNTUTLCSA-N 334.456 3.713 10 1 EHCF CCc1ccc(O)c([C@H]2NCCc3cc4cccc(OC)c4nc32)c1 963046501 JOGIEUZRNAZQCF-OAQYLSRUSA-N 334.419 3.747 10 1 EHCF C=C/[N+]([O-])=N/CCCCCCCCn1cc(-c2ccc(N)cc2)nn1 1857544918 BSNUAYJGJYTVRC-GFMRDNFCSA-N 342.447 3.974 10 1 EHCF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1ccc(C)c(C)c1O 963604030 DJDVWPNSEHOANV-YEJXKQKISA-N 341.451 3.824 10 1 EHCF CC(C)c1c(O)c(O)c2c(c1O)C(=O)C[C@H]1C(C)(C)C(=O)CC[C@]21C 14774104 CZIBUABEIQOGMV-YBTHPKLGSA-N 346.423 3.776 10 1 EHCF biogenic,in-vitro C[C@H](CO)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2O3 238772483 DXVLVCFPZPFOFU-IVVAJGKSSA-N 332.440 3.776 10 1 EHCF O=C1Cc2c([nH]c3cc[n+](Cc4ccccc4)cc23)-c2ccccc2N1 71295330 OYRDVNBEBYNKPM-UHFFFAOYSA-O 340.406 3.665 10 1 EHCF COC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1O 224613853 UFLGJULNCAWRAI-UHFFFAOYSA-N 342.178 3.803 10 1 EHCF COCCCN1CCc2ccc(OC)cc2[C@]1(C)c1ccccc1O 961327988 WAADKKHCMZGABA-NRFANRHFSA-N 341.451 3.559 10 1 EHCF CN(C)c1ccc(/C=C\c2sc3cc([N+](=O)[O-])ccc3[n+]2C)cc1 42682163 WSEDACAYGBLZGD-UHFFFAOYSA-N 340.428 3.870 10 1 EHCF COc1ccc2c(c1OC)[C@@](C)(c1cccc(F)c1O)N(C)[C@@H](C)C2 962631968 OIOBFFOWNASTDX-FKIZINRSSA-N 345.414 3.688 10 1 EHCF C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@H]1CC2=O 95910291 YNCLENYSOZNFFY-PLTJGGDTSA-N 332.440 3.864 10 1 EHCF biogenic,in-vitro O=C1OC[C@@H](c2ccc(N3CCCC3)cc2)N1c1ccc2[nH]cnc2c1 116829102 LRCAIIKYEMPGIF-IBGZPJMESA-N 348.406 3.861 10 1 EHCF c1ccc(CN2CC[C@H]3C[C@H]2c2ccc(N4CCOCC4)cc23)cc1 195418066 OTAPEGBXOAAYTQ-AVRDEDQJSA-N 334.463 3.958 10 3 EHCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CSc1ncc(C)s1)O2 587413469 OKUBOOHCNZZSJN-INIZCTEOSA-N 334.466 3.858 10 1 EHCF COc1cc(O)c2c(=O)c3ccc(O)c(O)c3oc2c1CC=C(C)C 14763052 RSXHTPBQFVJEBZ-UHFFFAOYSA-N 342.347 3.580 10 1 EHCF endogenous,in-man Oc1ccc(-c2cnc3[nH]cc(-c4ccc(O)c(O)c4)c3c2)c(O)c1 103225155 DCIOFUJXGPQSRS-UHFFFAOYSA-N 334.331 3.719 10 1 EHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cncc(F)c3)[nH]c21 587176665 BZFWHJFCVCFZEG-UHFFFAOYSA-N 343.317 3.539 10 1 EHCF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(Cl)cc(C)c1O 963631425 DIOLVWRYVDJSRH-ADLMAVQZSA-N 347.842 3.995 10 1 EHCF CCOC(=O)c1cc(-c2ccc(O)c(O)c2)c2cc(O)c(O)cc2c1 2356713191 BJVJYHRLTFIKEO-UHFFFAOYSA-N 340.331 3.506 10 1 EHCF Nc1nn2c(O)c3c(nc2c1/N=N\c1ccc(Cl)cc1)CCCC3 102748110 AHAXNFPMQFNVNG-MRCUWXFGSA-N 342.790 3.965 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](C2)OC3=O 34032913 VYFFPVYOQFBGNO-VOWSPCBNSA-N 330.424 3.767 10 1 EHCF biogenic COc1ccc(/C=C2\SC(c3ccc(C(C)=O)cc3)=NC2=O)cc1 71318023 MILVTQPQJYSNHS-BOPFTXTBSA-N 337.400 3.959 10 1 EHCF CN1CCCN(c2nc3c(c4ccccc24)C(=O)c2ccccc2-3)CC1 66079462 ZZQVDMATRWQNJM-UHFFFAOYSA-N 343.430 3.588 10 1 EHCF C[C@H]1CN([C@H](c2ccncc2)c2ccc3cccnc3c2O)C[C@@H](C)O1 1857540998 LBVKQIMUMIMLGQ-QEEYODRMSA-N 349.434 3.534 10 1 EHCF CCN1CCc2cc(OCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 66074307 XPFXYWKICZQNES-MRXNPFEDSA-N 343.398 3.588 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](O)[C@H]2OC3 2356740945 XXQLUHIXNZKHDC-LXZJYRNTSA-N 332.440 3.731 10 1 EHCF CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=Nc3ncnn32)cc1 618016587 IIGCSTNFXKHLKH-SFHVURJKSA-N 337.427 3.796 10 1 EHCF CN(C)c1ccc(/C=C2/SC(N(C)c3ccccc3)=NC2=O)cc1 206111320 SFKPEHWBOKWPCI-GHRIWEEISA-N 337.448 3.859 10 1 EHCF CCN1CCN(c2nc3c(c4ccccc24)C(=O)c2ccccc2-3)CC1 66079460 SHZLOSYURWSUKQ-UHFFFAOYSA-N 343.430 3.588 10 1 EHCF COc1ccc(C2=NN[C@H](c3ccc(Br)cc3)C2)c(O)c1 120730 KVTHQPZKGLQGBJ-AWEZNQCLSA-N 347.212 3.602 10 1 EHCF Nc1ccc(CN2N=C(c3ccc(F)cc3)[C@@H]3C=CC=C[C@@H]3C2=O)cc1 1857771816 XJNMKMBJQXUXKE-MOPGFXCFSA-N 347.393 3.513 10 1 EHCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CSc1ncc(C)s1)O2 587413470 OKUBOOHCNZZSJN-MRXNPFEDSA-N 334.466 3.858 10 1 EHCF Cc1oc2c(c1-c1nc3ccccc3o1)C(=O)c1ncccc1C2=O 1857629375 VCDJWIVXJDYYNY-UHFFFAOYSA-N 330.299 3.567 10 1 EHCF O=C1C[C@]2(CCc3cc(O)c(O)cc32)Oc2c1ccc1c2CCCC1 587531597 HGLZOZQHLJSDSS-NRFANRHFSA-N 336.387 3.784 10 1 EHCF CCOc1ccc(O)c([C@@H]2N[C@H]3CC[C@H]3c3ccc(OC)cc32)c1 962994282 KKBAMLRBCFDPIB-ZAAXVRCTSA-N 325.408 3.738 10 1 EHCF O=C1N=C(NCc2ccccc2)S/C1=C\c1ccc2ncccc2c1 28821253 AIMKWBLBSPOZKY-PDGQHHTCSA-N 345.427 3.995 10 1 EHCF CC(=O)N(C)c1ccc(N=Nc2c(C)[nH]n(-c3ccccc3)c2=O)cc1 299849348 JUCNEYVZMYFXSZ-UHFFFAOYSA-N 349.394 3.872 10 1 EHCF CN(C)c1ccc2c(ccc(/C=C/c3ccccc3[N+](=O)[O-])[n+]2C)c1 1911577486 GIAYFGFLBSYDSP-CSKARUKUSA-N 334.399 3.809 10 1 EHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccc3O)[nH]c21 66073782 PXQACXGBBNTXJM-UHFFFAOYSA-N 340.338 3.711 10 1 EHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(O)cc3)[nH]c21 66073784 QNKQRHGAMGCRIT-UHFFFAOYSA-N 340.338 3.711 10 1 EHCF S=C(NCc1cccnc1)SCCc1nc2ccccc2o1 653707994 BYNLCYPDMDSZGS-UHFFFAOYSA-N 329.450 3.573 10 1 EHCF O=C(N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)C1[C@@H]2CCCC[C@@H]12 617960126 DKMSIWCEBUZWEM-NXEZZACHSA-N 328.328 3.828 10 1 EHCF COc1cc(/C=C/c2nc3c(C)cnc(Cl)c3[nH]2)cc(O)c1O 587786901 YNACLENITGAKMA-ONEGZZNKSA-N 331.759 3.510 10 1 EHCF O=C(Cc1ccccc1)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O 299832440 GJKUOLVXBCCDLB-UHFFFAOYSA-N 348.379 3.655 10 1 EHCF Cc1ccnc2c1CCN[C@]2(c1ccccc1)c1cc(F)ccc1O 963087722 LKUBCWFKBXRWAJ-OAQYLSRUSA-N 334.394 3.672 10 1 EHCF CC[C@@]1(c2ccc(O)cc2O)c2ccc(F)cc2C[C@@H]2CCCN21 963100075 PZXVXPIJYAMHLF-YWZLYKJASA-N 327.399 3.911 10 1 EHCF CC(C)=CC[C@]12COc3cc(O)ccc3[C@H]1Oc1cc(O)c(O)cc12 14819580 UCYCRJCXEHJRDP-WOJBJXKFSA-N 340.375 3.924 10 1 EHCF biogenic COC(=O)c1c(C)c(OC)cc(O)c1CNc1ccc(Cl)cc1 28950803 QXLGCOYWUQVBHH-UHFFFAOYSA-N 335.787 3.761 10 1 EHCF O=C(O)c1ccccc1/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 102343481 VDWIKAWAMKZYSW-ZCXUNETKSA-N 326.268 3.895 10 1 EHCF Cn1c2c(c3ccccc31)CN(CCCOc1ccc(N)cc1)CC2 13526510 QEOFCXKCKVVHLM-UHFFFAOYSA-N 335.451 3.588 10 1 EHCF CCN(CC)C(=S)/N=N/c1c(O)n(CN(C)C)c2ccccc12 101030297 RPSBGUOAJWDQNX-ISLYRVAYSA-N 333.461 3.576 10 1 EHCF O=C(c1cccs1)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O 299832502 HPHBKJAVKRRDFH-UHFFFAOYSA-N 340.381 3.522 10 1 EHCF Nc1ccc(CN2N=C(c3ccc(F)cc3)[C@H]3C=CC=C[C@H]3C2=O)cc1 1857771818 XJNMKMBJQXUXKE-RBUKOAKNSA-N 347.393 3.513 10 1 EHCF CC(C)(C)c1ccc(CS(=O)(=O)/C=C/c2ccc(O)c(O)c2)cc1 169337021 MRRQWXOIIXEPBR-ZHACJKMWSA-N 346.448 3.981 10 1 EHCF CCOC(=O)C=Cc1ccc(O)c2c1C=Cc1cc(O)c(O)cc1O2 2356709825 WIXDFLWXLUYIGH-UHFFFAOYSA-N 340.331 3.656 10 1 EHCF CCOC(=O)c1cc(C)n(-c2c(N)cccc2Br)c1C 587935650 DVKZWEWARYCMJL-UHFFFAOYSA-N 337.217 3.616 10 1 EHCF C[C@@H]1c2cc(O)c(O)cc2CCN1C(C(F)(F)F)C(F)(F)F 72171082 ZVVTVMLWCDAWAV-ZCFIWIBFSA-N 329.240 3.510 10 1 EHCF COc1ccc(OCC(COc2ccc(OC)cc2)N=[N+]=[N-])cc1 2178320102 HQNPODCIOVCCKV-UHFFFAOYSA-N 329.356 3.841 10 1 EHCF O=C1CCCN1Cc1c(O)ccc2oc3c4ccccc4oc(=O)c3c12 1857547404 LJNKYKPWWVBPRW-UHFFFAOYSA-N 349.342 3.520 10 1 EHCF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@@H]3CC[C@@]12C 2356700375 KAQDVJJRJUJFIH-TWFRWHMKSA-N 330.424 3.886 10 1 EHCF CCCCn1c2c(c3ccccc3c1=O)C(=O)c1cc3c(cc1-2)OCO3 13652360 UCHLNKDNDLAVIF-UHFFFAOYSA-N 347.370 3.742 10 1 EHCF C(=C1\CCCN=C1c1cccnc1)\c1ccc(N2CCOCC2)cc1 49803282 BKDVAXXUQNPSEL-OBGWFSINSA-N 333.435 3.585 10 1 EHCF COc1ccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)cc1 169685237 GNDDLQRAECNYQE-ZNTNEXAZSA-N 345.366 3.503 10 1 EHCF COc1cc(C/N=N/c2nnc3c(n2)[nH]c2ccccc23)ccc1O 169688173 XIMFMGROMGJLRI-RELWKKBWSA-N 334.339 3.504 10 1 EHCF Cc1ccc(S(=O)(=O)/N=N\c2c(O)[nH]c3ccccc23)cc1C 13130498 QPVNZLKXUDAYEU-HNENSFHCSA-N 329.381 3.963 10 1 EHCF COCC/N=N/Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1 13553259 GPNNPQVERGYRNV-UHFFFAOYSA-N 349.398 3.708 10 1 EHCF CN1CCc2c(Cl)c(O)c(O)c(Sc3ccccc3)c2CC1 28096864 MQIBYYHJVDVCKK-UHFFFAOYSA-N 335.856 3.933 10 1 EHCF CCc1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3ccccc23)cc1 617960130 JLEIQCUCDFUYLC-UHFFFAOYSA-N 329.381 3.909 10 1 EHCF Oc1cc(-c2cc3cc(Br)cc(O)c3o2)cc(O)c1O 299870590 WNGDQFSJLAIFTI-UHFFFAOYSA-N 337.125 3.685 10 1 EHCF O=C(OC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 4035565 ICOHVCVFOZOLOK-RLFYNMQTSA-N 341.407 3.715 10 1 EHCF CCc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1 103968556 JLEIQCUCDFUYLC-VHEBQXMUSA-N 329.381 3.909 10 1 EHCF COc1ccc2c(c1OC)[C@@H](c1cccc(F)c1O)N(C)[C@H](C)C2 962574175 PGKQHGNWKHZINU-PIGZYNQJSA-N 331.387 3.514 10 1 EHCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4c(Cl)cccc34)[C@@H]21 95553884 QDPYSIUAVXUUKD-GOSISDBHSA-N 337.810 3.968 10 1 EHCF COc1ccc(-c2cc(-c3ccc(O)c(O)c3)cc(O)n2)c(OC)c1 1857574636 KWMCOLLQMRYFFY-UHFFFAOYSA-N 339.347 3.550 10 1 EHCF CCOC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21 13109231 YEOCARBJULMLJM-MISXGVKJSA-N 327.302 3.602 10 3 EHCF COc1cccc(-n2cnc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685224 JYVBSIRRUXXXTM-WCWDXBQESA-N 345.366 3.503 10 1 EHCF CN1Cc2c(C3=CCCNC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772607172 QVRCZQQYAVLEKP-UHFFFAOYSA-N 334.398 3.696 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](O)[C@H]2OC3 2356740946 XXQLUHIXNZKHDC-RMJJICAUSA-N 332.440 3.731 10 1 EHCF [N-]=[N+]=NCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574674 GGRHOZASDNXJFP-HIFRSBDPSA-N 325.324 3.813 10 1 EHCF CC[n+]1c(-c2ccccc2)csc1Nc1ccc(O)c(C(=O)O)c1 1857537212 HJRANJUGCQUMKA-UHFFFAOYSA-O 341.412 3.870 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O 86004539 BJDDFWYEMCOHPH-AVYPCKFXSA-N 332.440 3.862 10 1 EHCF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(Cl)cc(C)c1O 963631427 DIOLVWRYVDJSRH-BBATYDOGSA-N 347.842 3.995 10 1 EHCF Cc1nc(/N=N/c2ccccc2)c2c(c1O)CO[P@@](=O)(O)OC2 13861584 NBHTWPLMIZUQCF-WUKNDPDISA-N 335.256 3.658 10 1 EHCF CCOC(=O)/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12 299864128 MAAOATHMMYUVQB-VMPITWQZSA-N 340.331 3.793 10 1 EHCF O=C(Nc1cc2c(s1)C(=O)c1ccccc1C2=O)c1ccccc1 1772637264 JKXHNLZLQTXDCU-UHFFFAOYSA-N 333.368 3.776 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](CC3=O)[C@@H]2O 2356376902 ZPGPREPDSQALNB-QZMRNICNSA-N 344.451 3.921 10 1 EHCF C[C@H]1CCO[C@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C1 586916816 FREUQHNKNIKVKJ-ZBEGNZNMSA-N 346.386 3.826 10 1 EHCF O=C(O)c1ccc(O)c([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1 962667636 PGUDLYHUBRIXNQ-NRFANRHFSA-N 345.398 3.993 10 1 EHCF Oc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)c1O 1857573649 UPXHGXCRVGIYHF-UHFFFAOYSA-N 336.269 3.879 10 1 EHCF O=c1cc(CSc2nc3ccccc3o2)c2ccc(O)c(O)c2o1 96910558 BRFYMJFKXUVOPI-UHFFFAOYSA-N 341.344 3.638 10 1 EHCF COc1ccccc1-n1ncc2c(/N=N/Cc3ccncc3)ncnc21 169685236 TXMWREZGOCSHKW-ZNTNEXAZSA-N 345.366 3.503 10 1 EHCF COc1ccc2[nH]c(O)c(N=NS(=O)(=O)c3ccc(C)cc3)c2c1 617980975 AHELBCODGLWQRX-UHFFFAOYSA-N 345.380 3.663 10 1 EHCF O=C(NCc1ccco1)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 43024682 NPFQUMMBOGKIAF-ONEGZZNKSA-N 335.359 3.791 10 1 EHCF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccc(N)cc1 169316812 SJQCUSPSZGBBJZ-RTOPAQNCSA-N 336.479 3.741 10 1 EHCF O=C(O)c1ccc(-c2ccc(-c3ccc(O)cc3)c(O)c2O)cc1O 299852836 YDWZULSUFZOWJF-UHFFFAOYSA-N 338.315 3.541 10 1 EHCF COc1ccccc1OCCCn1c2c(c3ccccc31)CCNC2 1857573692 OKYNMEHSSCBPRH-UHFFFAOYSA-N 336.435 3.765 10 1 EHCF Cc1cc(C(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)n[nH]1 617989184 PGWGMFOIRPBPDH-UHFFFAOYSA-N 348.160 3.592 10 1 EHCF CC1=NN(C(=O)CN(CC(C)C)CC(C)C)[C@@H](c2ccccc2O)C1 653729205 DTLXDXYHIDHSEQ-GOSISDBHSA-N 345.487 3.656 10 1 EHCF CNc1nc(/N=N/Cc2ccc(O)cc2)nc(Nc2ccccc2)n1 169726150 RQAULCNXGFWVJF-LYBHJNIJSA-N 335.371 3.646 10 1 EHCF O=C(O)c1ccccc1N1C(=O)/C(=C/c2ccccc2)SC1=S 28377670 OEJOLXCMYQOIMZ-UVTDQMKNSA-N 341.413 3.791 10 1 EHCF Nc1ccc(CCn2cnc3c(Nc4cccc(F)c4)ncnc32)cc1 40878994 WCPJIDIGAIMUMJ-UHFFFAOYSA-N 348.385 3.534 10 1 EHCF CC1(C)OC(=O)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586912848 XNYSWJYPQZZFBJ-AWEZNQCLSA-N 337.379 3.747 10 1 EHCF CC=Cc1ccc(O[C@@H](C)[C@@H](O)c2ccc(O)c(O)c2)c(OC)c1 2356452959 JHOZAHGAFHAOBZ-HXPMCKFVSA-N 330.380 3.640 10 1 EHCF COc1ccc2c(c1OC)[C@](C)(c1cccc(F)c1O)N(C)[C@@H](C)C2 962631975 OIOBFFOWNASTDX-YUNKPMOVSA-N 345.414 3.688 10 1 EHCF CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc(Cl)ccc1O 95560775 TZXGZRNBNWETOO-INIZCTEOSA-N 332.762 3.882 10 1 EHCF CC=Cc1ccc(O[C@H](C)[C@@H](O)c2ccc(O)c(O)c2)c(OC)c1 2356452958 JHOZAHGAFHAOBZ-CWTRNNRKSA-N 330.380 3.640 10 1 EHCF CN(C)c1ccc(-c2ccc3c(=O)c4ccccc4n(C)c3c2)cn1 15935759 OXVIHMCQIDBTHU-UHFFFAOYSA-N 329.403 3.820 10 3 EHCF [N-]=[N+]=NC[C@@]1(c2ccc(Cl)cc2)NCCc2c(C(=O)O)cccc21 963118649 GQGACUSOGDHHQW-KRWDZBQOSA-N 342.786 3.738 10 1 EHCF CC(C)c1c(O)c(O)c2c(c1O)C(=O)[C@H](O)[C@H]1C(C)(C)CCC[C@]21C 2356443444 MJTJMEVBBSUXNW-CMKODMSKSA-N 348.439 3.568 10 1 EHCF COc1ccc(Cn2ccc3c(Oc4ccc(N)cc4)ncnc32)cc1 95556747 QSTWKDXXNXHIIR-UHFFFAOYSA-N 346.390 3.863 10 1 EHCF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C(F)F)[C@@H]1CCC2=O 169684350 AODKDBPFDVPROU-ZPBYOSSASA-N 338.394 3.592 10 1 EHCF CCCN(C)/N=N/c1cc(-c2c(N)nc(N)nc2CC)ccc1Cl 18209573 RRWJNQNCAHFPKE-GHVJWSGMSA-N 347.854 3.864 10 1 EHCF NC(=S)/N=N/c1c(O)n(Cc2ccc(F)cc2)c2ccccc12 101702698 JLJNYCOTJDVCSB-FMQUCBEESA-N 328.372 3.862 10 1 EHCF COc1ccc(-c2cc3c(c(C)n2)C(=O)c2ccccc2C3=O)cc1 96934753 MWMPIRRCWDUVLM-UHFFFAOYSA-N 329.355 3.841 10 1 EHCF CN1c2cc(Cl)ccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 95555619 CUKWAUDSKSRKGK-GOSISDBHSA-N 337.810 3.968 10 1 EHCF CN1CCN([C@@H](c2cccs2)c2c(O)ccc3ccccc23)CC1 653713187 WCLXGAHPMNGAMR-FQEVSTJZSA-N 338.476 3.944 10 1 EHCF C[C@H]1c2cc(O)c(O)cc2CCN1C(C(F)(F)F)C(F)(F)F 72171083 ZVVTVMLWCDAWAV-LURJTMIESA-N 329.240 3.510 10 1 EHCF C[N+]1=C(C=Cc2ccc(N3CCNCC3)cc2)C(C)(C)c2ccccc21 1857619663 QHLORZFIHDXPLB-UHFFFAOYSA-N 346.498 3.816 10 1 EHCF Cc1c(C=O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1 96928416 LMHQKZVIOJYAMI-UHFFFAOYSA-N 339.416 3.669 10 1 EHCF Cc1ccc(O)c(C2=NN[C@@H](c3cccc(Br)c3)C2)c1 6522318 ADMQPIIVPXZPMU-CQSZACIVSA-N 331.213 3.902 10 1 EHCF CC1(C)C=Cc2c(ccc(C(=O)CCc3ccc(O)c(O)c3)c2O)O1 14557864 VPFUWHKTPYPNGT-UHFFFAOYSA-N 340.375 3.803 10 1 EHCF biogenic Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc2c(c1)OCCO2 299847809 RYJKCMGWKIWLDY-UHFFFAOYSA-N 336.351 3.661 10 1 EHCF COC(=O)c1sc2nc3ccc(Br)cc3cc2c1N 1857558239 LDXQMYWXVOJLSS-UHFFFAOYSA-N 337.198 3.581 10 1 EHCF Cc1c(O)cc2c3c1OC(C)(C)C[C@H]3c1cc(O)c(O)cc1CC2 14724889 FVOXKDONPDCNHL-AWEZNQCLSA-N 326.392 3.903 10 1 EHCF biogenic COc1ccc(N2CC[C@H](N)[C@H](c3ccc(C)c(C)c3)C2)cc1OC 40776432 WKWHPPKMVLQTBL-OALUTQOASA-N 340.467 3.642 10 1 EHCF CCCN1CCN(CCNc2c3ccccc3nc3ccccc23)CC1 45229820 YMAWELNSSIFWLS-UHFFFAOYSA-N 348.494 3.828 10 1 EHCF COc1cc(/C=C\c2nc3cc(Cl)cc(F)c3[nH]2)cc(O)c1O 587785850 OVNLKAFYHKNDGU-IHWYPQMZSA-N 334.734 3.946 10 1 EHCF CN(C)CCOc1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 587259999 LQFPCWHJXHCWLX-UHFFFAOYSA-N 330.436 3.917 10 1 EHCF O=C(CCCc1ccc(Cl)cc1)N1CCc2cc(O)c(O)cc2C1 29131773 IMSVNSGNDTWNEF-UHFFFAOYSA-N 345.826 3.659 10 1 EHCF CC(C)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@@]21C 6256937 BOJAIXICOJBWOB-ICSRJNTNSA-N 346.423 3.776 10 1 EHCF biogenic Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12 5843925 OTZKWZWFTBATFL-UHFFFAOYSA-N 338.411 3.968 10 1 EHCF CCN(CC)Cc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O 1772654072 SVAGQGLPBZQWSK-UHFFFAOYSA-N 339.391 3.713 10 1 EHCF C[C@H](NC1=NC(=O)/C(=C/c2c[nH]c3ncccc23)S1)c1ccccc1 40943010 VZFPBCFUIYVZCP-KPENOIPVSA-N 348.431 3.884 10 1 EHCF CCCCCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1C 100479085 IUPLAHFRZWBSFQ-QBFSEMIESA-N 328.441 3.683 10 3 EHCF C1=CC=C2NCCCCN=C3C=CC=CC=C3NCCCCN=C2C=C1 263590886 XCYOGQDTICNRHM-UHFFFAOYSA-N 348.494 3.641 10 3 EHCF COc1cc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2)ccc1O 4143098 OQLBOABYGNLZGG-OAHLLOKOSA-N 334.375 3.698 10 1 EHCF CC1=NC(=S)N[C@@H](c2ccc(N(C)C)cc2)/C1=C(/O)OCC(C)C 617955666 ILHKUPATHLUUFX-SCDSTIRESA-N 347.484 3.585 10 1 EHCF C[C@H](CO)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3 85666889 AEHLJHNXKRBVSQ-PGQUITPISA-N 332.440 3.733 10 1 EHCF COc1cc(/C=C\c2ccc(N(C)C)c(N)c2)cc(OC)c1OC 13608010 UURRKVFXCHETCL-SREVYHEPSA-N 328.412 3.531 10 1 EHCF [N-]=[N+]=NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 27185207 UXTJMSVVDAWLFA-UHFFFAOYSA-N 330.347 3.913 10 1 EHCF C[C@@H]([C@@H](O)Cc1ccccc1)N(C)/N=N/c1ccc([N+](=O)[O-])cc1 5822953 GTBBQYABAALZEK-QLTRXWAESA-N 328.372 3.517 10 1 EHCF CN(C)c1ccc(/C=C/c2ccc(OC[C@H](CO)CF)cc2)cc1 13673441 DOBWIGMMBODBND-WHLIDYPQSA-N 329.415 3.880 10 1 EHCF CSc1nn(-c2ccc(N)cc2)c2cc(C3=CCNCC3)ccc12 72178115 FWXOAZAZUWTCQQ-UHFFFAOYSA-N 336.464 3.706 10 1 EHCF O=C(O)c1ccccc1/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 6226981 VDWIKAWAMKZYSW-ISLYRVAYSA-N 326.268 3.895 10 1 EHCF O=c1ccc([C@H]2Nc3ccccc3N[C@@H]2c2ccc(Cl)cc2)n[nH]1 103295637 QNGXZQIGFZUCFF-QZTJIDSGSA-N 338.798 3.743 10 1 EHCF O=C(OC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2 4035567 ICOHVCVFOZOLOK-HDMKZQKVSA-N 341.407 3.715 10 1 EHCF COC(=O)c1ccc(-n2c(C)ccc2C(C)C)c(O[C@H]2CCOC2)c1 587925204 QAOCDOKMNGLXPV-INIZCTEOSA-N 343.423 3.863 10 1 EHCF CC(C)=CC[C@@]12COc3cc(O)ccc3[C@H]1Oc1cc(O)c(O)cc12 14819578 UCYCRJCXEHJRDP-UXHICEINSA-N 340.375 3.924 10 1 EHCF biogenic CCn1c2c(c3ccccc31)C(=O)c1cnc3ccccc3c1C2=O 84653836 FLEKINNEKZVLTB-UHFFFAOYSA-N 326.355 3.985 10 1 EHCF Nc1ccc(Oc2ccc3nc(-c4cc(N)c(N)cc4F)[nH]c3c2)cc1 587136112 BPOWBINCRINZBF-UHFFFAOYSA-N 349.369 3.908 10 1 EHCF O=[N+]([O-])c1ccc(N2CCN(/C=C/N=N/c3ccccc3)CC2)cc1 40423856 FEKTYYQMPISOMO-DBGWUYGASA-N 337.383 3.972 10 1 EHCF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC(=CO)C(=O)O2 2356594198 LUCOQXWMBYAVDV-RPYXOJERSA-N 334.456 3.737 10 1 EHCF CCS(=O)(=O)c1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 587259965 KSWUQYZITHCRJK-UHFFFAOYSA-N 335.433 3.770 10 1 EHCF Nc1ccc(CN2N=C(c3ccc(F)cc3)[C@H]3C=CC=C[C@@H]3C2=O)cc1 1857771817 XJNMKMBJQXUXKE-OALUTQOASA-N 347.393 3.513 10 1 EHCF NCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 28639753 FDRCPKDOFXMKBN-UHFFFAOYSA-N 346.430 3.732 10 1 EHCF C[C@H](COc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O)N(C)C 28713984 HTJRAEYDZNBECV-GFCCVEGCSA-N 349.386 3.537 10 1 EHCF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Nc1ccccn1 10262 GXIIODHEIULTBX-UHFFFAOYSA-N 349.390 3.788 10 1 EHCF COc1ccc(N2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)cc1 214380 SFECBBSOYDOZLE-PXNSSMCTSA-N 326.484 3.810 10 1 EHCF Cn1cccc1/C(=C\CCN1CCC=C(C(=O)O)C1)c1ccccc1 29467018 OOQGHNKUQCGJLT-ODLFYWEKSA-N 336.435 3.564 10 1 EHCF CCOc1ccc(N2CC(c3ccc([C@@H](C)NC(C)=O)cc3)C2)cc1 149974942 LYVXGCFMJSWACD-OAHLLOKOSA-N 338.451 3.886 10 1 EHCF Nc1ccc(CCNC(=O)c2nc3cc(Cl)ccc3s2)cc1 473247923 JQGDAHVHWNGVJE-UHFFFAOYSA-N 331.828 3.504 10 1 EHCF COc1cccc2c1C(=O)c1c(O)cc3cc(C)cc(OC)c3c1C2=O 2356742798 BQECOSITHCZNEM-UHFFFAOYSA-N 348.354 3.646 10 1 EHCF CC(C)(C)c1cc(I)c(O)c(C[N+](C)(C)C)c1 40514502 CNYIHFFSQOMZAQ-UHFFFAOYSA-O 348.248 3.501 10 1 EHCF Cc1ccc(C)c(S(=O)(=O)/N=N\c2c(O)[nH]c3ccccc23)c1 96901534 DYHBKJKGZMSMIP-HNENSFHCSA-N 329.381 3.963 10 1 EHCF O=C(/C=C/c1cc(O)c(O)c(Cl)c1)NC12CC3CC(CC(C3)C1)C2 299826590 DQXUVFGVJSFQAW-OWOJBTEDSA-N 347.842 3.849 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CO[C@H]2C[C@@H]1C(C)(C)C[C@H](O)C3 2356397948 KRVFRLOLTQRXBW-GSLSEBINSA-N 332.440 3.731 10 1 EHCF C[C@H]1[C@H]2Cc3cc(O)ccc3[C@@]1(C)CCN2CCc1ccc(N)cc1 102968832 LLKYTSOOPCPXFC-ARBPTSGCSA-N 336.479 3.741 10 1 EHCF O=c1ccc([C@@H]2Nc3ccccc3N[C@@H]2c2ccc(Cl)cc2)n[nH]1 103295633 QNGXZQIGFZUCFF-MSOLQXFVSA-N 338.798 3.743 10 1 EHCF O=C(O)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 28754668 CWSPYTSBZVAWFX-UHFFFAOYSA-N 325.324 3.573 10 1 EHCF C[C@H]([C@H](O)Cc1ccccc1)N(C)/N=N/c1ccc([N+](=O)[O-])cc1 5822952 GTBBQYABAALZEK-AXGWPDIGSA-N 328.372 3.517 10 1 EHCF CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c(O)c1)C2 101463464 IMMWANKYSKQCQN-QKTKXOSRSA-N 332.396 3.575 10 1 EHCF Oc1ccc2oc(Cc3ccccc3)cc2c1CN1CCC[C@H](O)C1 103262342 VPTGOCFZLJQIOT-INIZCTEOSA-N 337.419 3.686 10 1 EHCF CN(Cc1cc(Cl)cc(Cl)c1O)c1ccc(C(=O)O)c(O)c1 203658214 AKBCMFBHXIVRGJ-UHFFFAOYSA-N 342.178 3.739 10 1 EHCF O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2c(O)c(O)ccc12 653679171 FDRRMHAZVWHZCP-UHFFFAOYSA-N 348.310 3.674 10 1 EHCF O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1ccccc1O 28099988 ZKKKHQQIZGSURN-UHFFFAOYSA-N 349.386 3.841 10 1 EHCF CCNC1=NC(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)S1 73245005 AOCWIBMEFNWUKL-YBEGLDIGSA-N 343.427 3.813 10 1 EHCF CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc(Cl)ccc1O 95560776 TZXGZRNBNWETOO-MRXNPFEDSA-N 332.762 3.882 10 1 EHCF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccc(N)cc1 169316813 SJQCUSPSZGBBJZ-ARBPTSGCSA-N 336.479 3.741 10 1 EHCF NS(=O)(=O)c1ccccc1Nc1c2ccccc2nc2ccccc12 5162787 UDPTYTXIKGOSRI-UHFFFAOYSA-N 349.415 3.779 10 1 EHCF Nc1ccc(CN2C(=O)c3cccc4c(Cl)ccc(c34)C2=O)cc1 103254215 QWKVHCPYFCKAQQ-UHFFFAOYSA-N 336.778 3.872 10 1 EHCF Cc1ccc(-c2ccc(Cl)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26837126 GVJDVHXMPCFWFM-HZPDHXFCSA-N 333.815 3.574 10 1 EHCF Cc1ccc(C2(CCNCc3ccccc3O)CCOCC2)cc1 96940352 LTMIHESIYCDCMX-UHFFFAOYSA-N 325.452 3.929 10 1 EHCF C[C@]1(c2cc(O)c(O)cc2O)NCCc2c(Cl)cc(Cl)cc21 963126963 YHCBNMLRJSPQCF-INIZCTEOSA-N 340.206 3.519 10 1 EHCF O=c1c2ccccc2nc(/N=N/Cc2c(O)ccc3ccccc23)n1O 169690101 KMUBBMDPCIJBFO-LSDHQDQOSA-N 346.346 3.777 10 1 EHCF COc1cc2c(cc1OC)[C@H](c1cc(C)cc(C)c1O)N(C)[C@@H](C)C2 962628436 HHOXZYFTRQFRQO-VBKZILBWSA-N 341.451 3.992 10 1 EHCF COc1ccc2c(c1OC)[C@@](C)(c1cccc(F)c1O)N(C)[C@H](C)C2 962631971 OIOBFFOWNASTDX-MPBGBICISA-N 345.414 3.688 10 1 EHCF CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccccc3NC(C)=O)cc21 204993261 OKLGHYCXHJIMFI-UHFFFAOYSA-N 346.390 3.523 10 1 EHCF CNC1=NN=C(c2cc(C)n(-c3ccc(Cl)cc3)c2C)CS1 6912170 GKGQQMGABWPFEZ-UHFFFAOYSA-N 332.860 3.774 10 3 EHCF Cc1c(F)ccc2c1[C@@H](c1c(O)ccc([N+](=O)[O-])c1Cl)NCC2 962094054 RFIQVCYSHFHONC-INIZCTEOSA-N 336.750 3.636 10 1 EHCF CC[C@@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2O)N1 4729733 WZZIWDXHFLCAFY-UZLBHIALSA-N 338.407 3.771 10 3 EHCF aggregator CCN(CC)c1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1 116828966 YUVOZTFCKZHKKL-LJQANCHMSA-N 349.438 3.680 10 1 EHCF CC(C)c1c(O)c(O)c2c(c1O)C(=O)[C@@H](O)[C@H]1C(C)(C)CCC[C@]21C 138816907 MJTJMEVBBSUXNW-WSTZPKSXSA-N 348.439 3.568 10 1 EHCF CCc1cccc2cc(/C=C3\SC(=S)NC3=O)c(Cl)nc12 169350382 UIUMHHUIHZGBJQ-XFFZJAGNSA-N 334.853 3.939 10 1 EHCF CC1(C)C[C@@]2(CN(Cc3ccc(N)cc3)CCO2)c2ccccc2O1 35079534 SONFQCBNQQMLEZ-OAQYLSRUSA-N 338.451 3.558 10 1 EHCF CN(C)c1ccc(/C=C/c2ccc(OC[C@@H](CO)C[18F])cc2)cc1 101485480 DOBWIGMMBODBND-YKZLAJCTSA-N 328.418 3.880 10 1 EHCF C[C@@H](CCNc1c2ccccc2nc2ccccc12)N1CCN(C)CC1 45230970 LUVQGMJWCQIZJG-KRWDZBQOSA-N 348.494 3.826 10 1 EHCF CC[C@@H]1C(=O)N(CC2CCCCC2)c2sc3ccccc3[n+]2C1=O 101336231 DSAFEZWPXHHTBJ-CQSZACIVSA-N 343.472 3.782 10 1 EHCF Cc1cc(N(C)C)cc(C)c1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023195 LOEQXJYRMVZBHY-NYHFZMIOSA-N 349.478 3.512 10 1 EHCF CCOC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12 13109232 YEOCARBJULMLJM-WDMOLILDSA-N 327.302 3.602 10 1 EHCF Cc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)cc1 103966453 BGFPIEINOUMITK-VHEBQXMUSA-N 333.344 3.794 10 1 EHCF COc1cccc(OCCCn2c3c(c4ccccc42)CCNC3)c1 1857604202 SFJMYWGQGYNIFQ-UHFFFAOYSA-N 336.435 3.765 10 1 EHCF COc1ccc2c(c1OC)[C@@H](c1cc(C)cc(C)c1O)N(C)[C@@H](C)C2 962641764 UMQDXXFLYZMSOT-IFXJQAMLSA-N 341.451 3.992 10 1 EHCF CN(C)c1ccc(C/N=N/c2nc(-c3ccccc3)cc(=O)[nH]2)cc1 169690013 SCRNEUZVCOAAEC-BSYVCWPDSA-N 333.395 3.787 10 1 EHCF CCN(Cc1coc(-c2ccc(O)cc2)n1)c1ccc2c(c1)OCO2 72185970 LRNHAACOAAGIHJ-UHFFFAOYSA-N 338.363 3.802 10 1 EHCF Cc1cc(C)n2cc(/C=C/c3nc(-c4cccs4)cn3C)nc2n1 117874935 UDWOTZRAXNIBQQ-VOTSOKGWSA-N 335.436 3.979 10 1 EHCF CN(C)c1ccc(/C=C/c2ccc(OC[C@H](CO)C[18F])cc2)cc1 101485486 DOBWIGMMBODBND-YAVROFFDSA-N 328.418 3.880 10 1 EHCF O=c1c(-c2ccc(O)cc2)coc2c(Cl)c(O)c(O)c(Cl)c12 2356837096 LGPXZUBYRFLWAF-UHFFFAOYSA-N 339.130 3.884 10 1 EHCF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(O)c1)CC2=O 587479996 DKAIGJMKXDCHAI-LJQANCHMSA-N 328.364 3.637 10 1 EHCF CC=Cc1ccc(O[C@@H](C)[C@H](O)c2ccc(O)c(O)c2)c(OC)c1 2356452957 JHOZAHGAFHAOBZ-BUXKBTBVSA-N 330.380 3.640 10 1 EHCF COc1cc(/C=C/c2nc3cc(Cl)cc(F)c3[nH]2)cc(O)c1O 587785851 OVNLKAFYHKNDGU-NSCUHMNNSA-N 334.734 3.946 10 1 EHCF C/C(=C1/SC(=S)N([C@@H](CC(C)C)C(=O)O)C1=O)c1ccccc1 28714325 SCEVCEGSVQEIQX-UROBUVALSA-N 349.477 3.777 10 1 EHCF O=C(O)c1ccc(-c2ccc(-c3ccc(O)c(O)c3)c(O)c2O)cc1 299851823 KFYFVLDVUJEGKX-UHFFFAOYSA-N 338.315 3.541 10 1 EHCF CC(C)=CCc1c(O)ccc2c1OC[C@H]1c3cc(O)c(O)cc3O[C@@H]21 14819660 JCVINYPLRARDTP-XOBRGWDASA-N 340.375 3.922 10 1 EHCF biogenic Oc1nncc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078444 QZYDHJHKDRZYOE-RBZYPMLTSA-N 339.786 3.538 10 1 EHCF O=C(Nc1nnc(-c2cccc(O)c2O)s1)c1ccc(Cl)cc1 1772628540 DSFAGQLPUPJGRC-UHFFFAOYSA-N 347.783 3.522 10 1 EHCF CCN(CC)CCNc1cccc2c1C(=O)c1cccc3c1c-2nn3C 28758510 LJEAVKPBODZPMV-UHFFFAOYSA-N 348.450 3.538 10 1 EHCF COc1cc2c3c(c1)O[C@H](c1c(C)n(C)c4ccccc14)[C@@H](C2)C3=O 587431613 PNSAQEVTVXHBGV-BTYIYWSLSA-N 333.387 3.984 10 1 EHCF CCCCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 64454503 DKLNUQLIDFTIQQ-UHFFFAOYSA-N 342.347 3.756 10 1 EHCF O=C(O)c1ccccc1N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 253916617 VDWIKAWAMKZYSW-UHFFFAOYSA-N 326.268 3.895 10 1 EHCF Oc1ccc(-c2csc(=NCc3ccccc3Cl)[nH]2)cc1O 1857762951 WOXIFUUAFLYXRF-UHFFFAOYSA-N 332.812 3.909 10 1 EHCF COc1ccc2c(c1OC)[C@H](c1cc(C)cc(C)c1O)N(C)[C@@H](C)C2 962641768 UMQDXXFLYZMSOT-LIRRHRJNSA-N 341.451 3.992 10 1 EHCF COc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(F)cc12 103960777 BWCCRHDPYKHNFL-QZQOTICOSA-N 343.314 3.711 10 1 EHCF CC(C)c1c(O)c(O)c2c(c1O)C(=O)[C@H](O)[C@H]1C(C)(C)CCC[C@@]21C 2356443443 MJTJMEVBBSUXNW-BJLQDIEVSA-N 348.439 3.568 10 1 EHCF Cc1cccc(Cn2c3cc(O)c(O)cc3c3ccc(O)c(O)c32)c1 13737763 AWYCIYJEKRPHHB-UHFFFAOYSA-N 335.359 3.974 10 1 EHCF CC[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 102864465 SZHICFXLANQKCX-OXQOHEQNSA-N 338.407 3.522 10 1 EHCF Clc1cc(N2CCNCC2)cc(Cl)c1OCc1ccccc1 84740752 OGINHXXKNAXFAK-UHFFFAOYSA-N 337.250 3.982 10 1 EHCF CC[C@@H](C)C(=O)[C@H]1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O 100772808 GDCZKZRPSCZJKH-CABCVRRESA-N 332.440 3.638 10 1 EHCF endogenous,in-man Cc1ccc(SCCC(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 13585709 WKPXYVFNQYXQBM-UHFFFAOYSA-N 333.365 3.680 10 1 EHCF CC(C)COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 64448000 GVDJNRKPWYRFAZ-UHFFFAOYSA-N 342.347 3.612 10 1 EHCF Cc1c(O)cc2c3c1OC(C)(C)C[C@@H]3c1cc(O)c(O)cc1CC2 14724891 FVOXKDONPDCNHL-CQSZACIVSA-N 326.392 3.903 10 1 EHCF biogenic CCOc1ccc(N2CC(c3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 149975141 LYVXGCFMJSWACD-HNNXBMFYSA-N 338.451 3.886 10 1 EHCF O=C1C[C@]2(CCc3c2ccc(O)c3O)Oc2c1ccc1c2CCCC1 587531496 GRSDGKOTHDGVJC-NRFANRHFSA-N 336.387 3.784 10 1 EHCF [N-]=[N+]=NC[C@]1(c2ccc(Cl)cc2)NCCc2c(C(=O)O)cccc21 963118650 GQGACUSOGDHHQW-QGZVFWFLSA-N 342.786 3.738 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@]1(CO)CCCC(C)(C)[C@H]1CC2=O 14774500 PUXJVXOVZKVJTD-QRWLVFNGSA-N 332.440 3.864 10 1 EHCF biogenic Oc1ccc2nc(-c3cccc(F)c3F)[nH]c2c1CN1CCCC1 84604474 MAOFEFGTNVEDRM-UHFFFAOYSA-N 329.350 3.810 10 1 EHCF CCOc1ccc2nc(C3C(=O)c4ccccc4C3=O)cc(O)c2c1 101916050 PGSAWODWTFKUEG-UHFFFAOYSA-N 333.343 3.502 10 1 EHCF COc1c(O)c(O)cc2c1oc1c3cc(C)c(C)cc3oc(=O)c21 1772583053 ZXDDWHJAAJPZAU-UHFFFAOYSA-N 326.304 3.729 10 1 EHCF COc1ccc2c(c1OC)[C@@H](c1cc(C)cc(C)c1O)N(C)[C@H](C)C2 962641762 UMQDXXFLYZMSOT-AUUYWEPGSA-N 341.451 3.992 10 1 EHCF COc1cc(/C=C\c2nc3cnc4ccccc4c3[nH]2)cc(O)c1O 587786387 SYHQLDZJZPKTGD-SREVYHEPSA-N 333.347 3.701 10 1 EHCF CCn1c(/C=C/C=C/N2CCCC2)[n+](CC)c2nc3ccccc3nc21 13822047 XIUFTFBBLRKDDJ-UHFFFAOYSA-N 348.474 3.535 10 1 EHCF CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccn3)N=C2C)cc1 73222283 DJAFNHXNDUJWAI-JXAWBTAJSA-N 334.423 3.734 10 1 EHCF CN(C)/C=C/c1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O 49769770 UYOCJURIBHUERU-VAWYXSNFSA-N 328.371 3.543 10 1 EHCF COC(=O)c1ccc(N=Nc2c(C)[nH]n(-c3ccccc3)c2=O)cc1 299847710 NUCUHMFARFYHPJ-UHFFFAOYSA-N 336.351 3.676 10 1 EHCF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccncn2)cc1 587637827 ARSSFJWQYCSICO-UHFFFAOYSA-N 345.358 3.999 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)C2=O 103212071 DLFBGJCOHIZRGA-CMKODMSKSA-N 332.440 3.862 10 1 EHCF C[C@H](CO)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@@H]1CC2=O 14774497 YNCLENYSOZNFFY-LQGCGHSZSA-N 332.440 3.864 10 1 EHCF biogenic CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccccc1O 82157413 DTQPHHQUNKGGOC-HXUWFJFHSA-N 332.359 3.785 10 1 EHCF Cc1cc(C)c2nc(Cl)c(/C=C3\SC(=S)NC3=O)cc2c1 169350383 OJUHUWVQAPMTTC-WDZFZDKYSA-N 334.853 3.994 10 1 EHCF CCCCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(N(C)C)cc1 617960014 ZOMVZKJVBKVRRY-SCDSTIRESA-N 347.484 3.729 10 1 EHCF CCC(=O)N[C@H](c1ccco1)c1cc(Cl)c2c(c1O)NCCC2 36380910 RJLYITMFWGKNQN-HNNXBMFYSA-N 334.803 3.612 10 1 EHCF CCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)[C@H]31 95555167 VIJIPQBUEAJGIL-FQEVSTJZSA-N 347.418 3.714 10 1 EHCF CCN(CC)c1ccc([C@]2(C)NCCc3nc4ccccn4c32)cc1 962986540 INRWSPONBFTMHN-NRFANRHFSA-N 334.467 3.590 10 1 EHCF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccc(N)cc1)O2 27434096 HGKMGILXLZAAGD-HXUWFJFHSA-N 340.423 3.622 10 1 EHCF COc1cc(/C=C/c2nc3cc(F)c(F)c(F)c3[nH]2)cc(O)c1O 587784872 DZGUIURWGQBVHX-NSCUHMNNSA-N 336.269 3.570 10 1 EHCF COc1cc2c(cc1OC)[C@@H](c1cc(C)cc(C)c1O)N(C)[C@H](C)C2 962628441 HHOXZYFTRQFRQO-VLIAUNLRSA-N 341.451 3.992 10 1 EHCF Nc1ccc(Oc2ccc3nc([C@H](O)c4cccc(O)c4)[nH]c3c2)cc1 586893883 XHVOFVJEXJNNHF-LJQANCHMSA-N 347.374 3.725 10 1 EHCF COc1ccc(O)c(CNc2ccc(-c3cnco3)c(OC)c2)c1 96935281 DROKZJBFLQBJGC-UHFFFAOYSA-N 326.352 3.677 10 1 EHCF O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1Cc1ccncc1 169327316 FGVNOOHZZVEAEH-ZROIWOOFSA-N 330.409 3.622 10 1 EHCF COc1cccc(/C=C2\SC(Nc3ccccc3OC)=NC2=O)c1 95755397 YTPAEIAIRQLMGR-WJDWOHSUSA-N 340.404 3.786 10 1 EHCF COc1cc(/C=C\c2nc3ccc(SC)cc3[nH]2)cc(O)c1O 587785039 HKSLFEAOKFQMEC-UTCJRWHESA-N 328.393 3.875 10 1 EHCF CC(C)Oc1ccccc1CCOC(=O)/C=C/c1ccc(O)c(O)c1 1772634238 ZFAGCGSVQFCCPE-CSKARUKUSA-N 342.391 3.684 10 1 EHCF O=C1c2c(O)cccc2C(=Cc2ccc(O)c(O)c2)c2cccc(O)c21 19541 HAOIGARVPBUDHU-UHFFFAOYSA-N 346.338 3.642 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O 14774356 BJDDFWYEMCOHPH-AUSJPIAWSA-N 332.440 3.862 10 1 EHCF biogenic C[C@@H](CO)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@H]1C[C@H]2O3 2356459926 DXVLVCFPZPFOFU-NLAUVIEVSA-N 332.440 3.776 10 1 EHCF COc1ccccc1C(=O)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 253981788 UHLDAQBFRZVHJW-UHFFFAOYSA-N 340.295 3.714 10 1 EHCF O=[N+]([O-])c1c(O)oc2ccccc2/c1=N/c1cc(Cl)ccc1O 621471739 NDESTCRWZUNXRG-LGMDPLHJSA-N 332.699 3.638 10 1 EHCF CCN1CCN(CCCNc2c3ccccc3nc3ccccc23)CC1 45186771 NTCUGFMIELJXCS-UHFFFAOYSA-N 348.494 3.828 10 1 EHCF Cc1cc(=O)[nH]c(/N=N/Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 169690817 PBURIDIANOGARF-LVZFUZTISA-N 339.311 3.530 10 1 EHCF CC[C@@H](C)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 1857637434 BZCBPVOMBVKXOO-SNVBAGLBSA-N 342.347 3.754 10 1 EHCF CCOC(=O)N1N=C(c2ccc(O)c(OC)c2)C[C@@H]1c1ccccc1 653740465 QSDDGSNZABYDPQ-MRXNPFEDSA-N 340.379 3.708 10 1 EHCF CN(CCO)c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 587193326 YRLUFIIKSWOLQL-UHFFFAOYSA-N 337.757 3.590 10 1 EHCF CCN(CCc1ccccc1)Cc1c(O)ccc2c(=O)cc(C)oc12 64510406 OKRHKDFJIXISBD-UHFFFAOYSA-N 337.419 3.872 10 1 EHCF CC(C)[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2O)N1 4729605 ONXPZFWAQCUISZ-OXJNMPFZSA-N 338.407 3.627 10 3 EHCF CC(C)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@H]1[C@H](O)[C@@]2(C)O3 2356620433 SCQXHETZRUJEHL-ZFMNYDKASA-N 346.467 3.949 10 1 EHCF COc1cc(/C=C\c2nc3ccc(OC(C)C)cc3[nH]2)cc(O)c1O 587784763 CXKJGDOXZWSZHY-DAXSKMNVSA-N 340.379 3.940 10 1 EHCF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1ccc(C)c(C)c1O 963604026 DJDVWPNSEHOANV-ASSNKEHSSA-N 341.451 3.824 10 1 EHCF COc1cncc(N)c1-c1nc2cc(Oc3ccc(N)cc3)ccc2[nH]1 587253601 DFVRLMLMWSQRGX-UHFFFAOYSA-N 347.378 3.590 10 1 EHCF Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CN1CCOCC1 587213732 ZSISBVIQWGEEOT-UHFFFAOYSA-N 346.430 3.538 10 1 EHCF Cc1c(/N=N\c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 102589393 RYZZYWRGQJBHQF-MRCUWXFGSA-N 335.411 3.966 10 1 EHCF O=c1c2ccccc2[nH]c2c(CCc3ccc(O)c(O)c3)cccc12 95594733 ZQLLYSMVAVXBPF-UHFFFAOYSA-N 331.371 3.878 10 1 EHCF Cc1cccc(Cl)c1Nc1nc2cc(O)c(O)cc2n2cncc12 13860297 UOGKOQVJFMUHCN-UHFFFAOYSA-N 340.770 3.999 10 1 EHCF COc1cc2c3c(c1OC)N(c1ccc(F)cc1)C[C@H]3CN(C)CC2 28108122 SMWRVQMZVOVXSA-CQSZACIVSA-N 342.414 3.566 10 1 EHCF Cc1cc(C)n2cc(/C=C\c3nc(-c4ccccc4)cn3C)nc2n1 113421985 ATTHDIHKDZAZSA-KTKRTIGZSA-N 329.407 3.917 10 1 EHCF O=C(OC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 13147309 ICOHVCVFOZOLOK-DAYGRLMNSA-N 341.407 3.715 10 1 EHCF CC(C)=CC[C@@]12COc3cc(O)ccc3[C@@H]1Oc1cc(O)c(O)cc12 14819575 UCYCRJCXEHJRDP-PMACEKPBSA-N 340.375 3.924 10 1 EHCF biogenic,in-vitro CC[C@@H](C)C(=O)[C@@H]1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O 100772803 GDCZKZRPSCZJKH-HUUCEWRRSA-N 332.440 3.638 10 1 EHCF endogenous,in-man Cc1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3ccccc23)cc1C 253961057 QPVNZLKXUDAYEU-UHFFFAOYSA-N 329.381 3.963 10 1 EHCF CCc1nnc(-c2cc3c(s2)C(=O)c2ccccc2C3=O)s1 1772601302 OIZRDAHMLVKICF-UHFFFAOYSA-N 326.402 3.604 10 1 EHCF O=c1n(Cc2ccccc2)c2ccccc2n1Cc1ccccc1O 621430207 MLYCFHPANMDMED-UHFFFAOYSA-N 330.387 3.605 10 1 EHCF COc1ccc2c(c1OC)[C@H](c1cccc(F)c1O)N(C)[C@@H](C)C2 962574173 PGKQHGNWKHZINU-GTNSWQLSSA-N 331.387 3.514 10 1 EHCF C[C@H]1Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c2C1(C)C 71295934 BMQYTTWLJMDLLS-SNVBAGLBSA-N 338.359 3.930 10 1 EHCF CCOc1ccc(O)c([C@@H]2N[C@@H]3CC[C@@H]3c3ccc(OC)cc32)c1 962994279 KKBAMLRBCFDPIB-XFQXTVEOSA-N 325.408 3.738 10 1 EHCF CCOC(=O)/C=C/c1cc(O)c(O)cc1-c1cc2cccc(O)c2o1 299868160 RAOAOHGRFMKRQN-VOTSOKGWSA-N 340.331 3.793 10 1 EHCF CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1ccc(C)s1 95556554 QKJFVUOZEHQPMX-DHDCSXOGSA-N 327.365 3.771 10 1 EHCF CN(C)Cc1cc(CCCc2ccccc2)cc(CN(C)C)c1O 1857634484 XYLTYAVMMHBBEI-UHFFFAOYSA-N 326.484 3.691 10 1 EHCF CCOc1ccc2c(O)cc(C3C(=O)c4ccccc4C3=O)nc2c1 100615605 HGGJZCWRTVYRJL-UHFFFAOYSA-N 333.343 3.502 10 1 EHCF Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc2ncsc2c1 299849368 LMXBLONMHCPNQE-UHFFFAOYSA-N 336.380 3.773 10 1 EHCF COc1ccccc1NC1=NC(=O)/C(=C/c2nc(C)cs2)S1 95755402 AYLYRNGQSHHRLD-GHXNOFRVSA-N 331.422 3.543 10 1 EHCF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)C(=O)CC[C@]34C(F)F)[C@@H]1CCC2=O 169684351 AODKDBPFDVPROU-NSXDENAQSA-N 338.394 3.592 10 1 EHCF Cc1nc2c(n1Cc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O 1633188 SVSHJTUWAATVTO-UHFFFAOYSA-N 336.778 3.669 10 1 EHCF O=C1C[C@@]2(CCc3cc(O)c(O)cc32)Oc2c1ccc1c2CCCC1 587531599 HGLZOZQHLJSDSS-OAQYLSRUSA-N 336.387 3.784 10 1 EHCF COc1cc2c3c(c1)O[C@@](C)(CSc1ncc(C)s1)[C@@H](C2)C3=O 587449792 HGPXLKZEKZZEKS-SJCJKPOMSA-N 347.461 3.759 10 1 EHCF O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)c1ccccc1 1857595966 ZVJJHHIQVPNSBX-LFIBNONCSA-N 339.441 3.771 10 1 EHCF Oc1ccc(C[C@@H]2CC(CCCc3ccc(O)c(O)c3)=NO2)cc1 49112820 FETVKTXEUKYVDO-QGZVFWFLSA-N 327.380 3.514 10 1 EHCF Nc1nn2c(O)c3c(nc2c1/N=N/c1ccc(Cl)cc1)CCCC3 101830094 AHAXNFPMQFNVNG-QZQOTICOSA-N 342.790 3.965 10 1 EHCF Cc1ccc([C@@H](c2ccc3cccnc3c2O)N2CCOCC2)cc1 199236768 WYTKXHPXHJGOQR-FQEVSTJZSA-N 334.419 3.670 10 1 EHCF O=C1c2ccccc2C(=O)c2c1ccc1c(O)n(-c3ccccc3)nc21 8829221 XCXJTOIDUYYDMG-UHFFFAOYSA-N 340.338 3.507 10 1 EHCF CC1(C)CCc2c(ccc3c2O[C@H](c2ccc(O)c(O)c2)CC3=O)O1 200851822 QCBCPALLWXTPLW-SFHVURJKSA-N 340.375 3.908 10 1 EHCF Cn1c2ccccc2c(=NNc2ccccc2C(=O)O)c2ccccc21 73406821 JXOZYPCJFBLQQM-UHFFFAOYSA-N 343.386 3.958 10 1 EHCF CN(C)c1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114339803 IISNQHYBSOMGPJ-LJQANCHMSA-N 349.482 3.705 10 1 EHCF Oc1ccc(-c2csc(=NCc3cccc(Cl)c3)[nH]2)cc1O 1857761989 OCTCYYCZUXRXSZ-UHFFFAOYSA-N 332.812 3.909 10 1 EHCF C[C@H](CCC(=O)O)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587962199 AZCJYGFGWUCVLZ-GFCCVEGCSA-N 339.395 3.981 10 1 EHCF Oc1ncnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12 587079326 COWDATXTBWYFHM-CWSCBRNRSA-N 339.786 3.538 10 1 EHCF Oc1ccc(-c2n[nH]cc2-c2ccc(C(F)(F)F)cc2)c(O)c1O 1857772241 CYMKXOUICCHYLZ-UHFFFAOYSA-N 336.269 3.879 10 1 EHCF CC(C)(C)c1cccc([C@H]2c3ccsc3CCN2C(N)=O)c1O 962713394 USDFZUIEVGJBLS-OAHLLOKOSA-N 330.453 3.777 10 1 EHCF COc1c(C(C)=O)c(O)c(CNCc2ccccc2)c2occc12 24718290 VPZLHKMNVJOLRU-UHFFFAOYSA-N 325.364 3.639 10 1 EHCF biogenic Nc1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1 299838387 QHYSJYJHXOBELO-UHFFFAOYSA-N 333.439 3.814 10 1 EHCF CN1CCc2cc(O)c(O)cc2[C@H]1Cc1ccccc1Br 1857619358 PUMDJZOMWDDEEH-OAHLLOKOSA-N 348.240 3.632 10 1 EHCF CC(C)[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2O)N1 4729607 ONXPZFWAQCUISZ-UZLBHIALSA-N 338.407 3.627 10 3 EHCF O=C1CCc2cc(-c3csc(-c4ccc(O)c(O)c4)n3)ccc2N1 27185670 FNCHMPUXZRSMFY-UHFFFAOYSA-N 338.388 3.773 10 1 EHCF Cc1ccccc1-n1ncc2c(/N=N/Cc3ccncc3)ncnc21 169685233 BNDXCCROQGEWDS-ZNTNEXAZSA-N 329.367 3.803 10 1 EHCF CCOC1=C2N=C(Cc3ccccc3F)N=C2C(=O)c2ccccc21 1629476 STLJYPWKERQMJJ-UHFFFAOYSA-N 334.350 3.823 10 1 EHCF Oc1ccc(-c2cnc3[nH]cc(-c4ccc(O)c(O)c4)c3c2)cc1O 103225161 CJTAMMDFIMBFDQ-UHFFFAOYSA-N 334.331 3.719 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]1(CO)CCCC(C)(C)[C@H]1CC2=O 14774506 PUXJVXOVZKVJTD-FOIQADDNSA-N 332.440 3.864 10 1 EHCF biogenic COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(O)c1O 587522566 FVUCIXBFGJPPKP-QGZVFWFLSA-N 340.375 3.692 10 1 EHCF Oc1ccccc1CN=c1cc2oc(Cc3ccccc3)nc2c[nH]1 621430173 IJPAADSXHOWCIY-UHFFFAOYSA-N 331.375 3.553 10 1 EHCF CSc1ncn(C2(c3ccccc3O)C3CC4CC(C3)CC2C4)n1 1857649468 GHQJWFKUPKNCRP-UHFFFAOYSA-N 341.480 3.905 10 1 EHCF COc1ccc(C/N=N/c2cc(C)nc(-n3nc(C)cc3C)n2)cc1 169688070 AMTACDMZQUDMKW-ZBJSNUHESA-N 336.399 3.880 10 1 EHCF Nc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1/N=N/c1ccccc1 169700603 VQLBELPZTXLKEU-QURGRASLSA-N 330.351 3.687 10 1 EHCF CCCc1c(O)ccc2c1O[C@@]1(CCc3c1ccc(O)c3O)CC2=O 587480777 KXZYHTXTEBPJQL-FQEVSTJZSA-N 340.375 3.563 10 1 EHCF CC(C)CNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]12 15952406 LBADWXJWSCBMAL-ZENOOKHLSA-N 338.373 3.931 10 1 EHCF CN1c2cccc(Cl)c2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 95555886 WTMFHRNUWGPWKP-SFHVURJKSA-N 337.810 3.968 10 1 EHCF COc1ccccc1C/N=N/c1cc(C)nc(-n2nc(C)cc2C)n1 169689471 KBUCAZGDFRPVIJ-ZBJSNUHESA-N 336.399 3.880 10 1 EHCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CC)CC)c1 13762624 AWLSZEUSZUASLX-GHVJWSGMSA-N 347.854 3.864 10 1 EHCF NC(=S)/N=N\c1c(O)n(Cc2ccc(F)cc2)c2ccccc12 18164572 JLJNYCOTJDVCSB-VXPUYCOJSA-N 328.372 3.862 10 1 EHCF CC(C)Sc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 205700965 BYHLRUNQWHPUGB-UHFFFAOYSA-N 340.429 3.967 10 1 EHCF C=C(c1ccc(N(C)C)c(NO)c1)c1cc(OC)c(OC)c(OC)c1 473088078 HZTYAJYTUPSCGX-UHFFFAOYSA-N 344.411 3.641 10 1 EHCF O=[N+]([O-])c1ccc(Nc2nc(C3=S=CC=C3)nc3ccccc23)cc1 1857577956 IVPJYLXYKGIRPC-UHFFFAOYSA-N 348.387 3.907 10 1 EHCF CCCOCc1cc(O)c(O)c(Br)c1Br 13450402 QHXQEXISFHGPRE-UHFFFAOYSA-N 340.011 3.549 10 1 EHCF biogenic COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(N(C)C)cc2)cc1 169723240 WRYFIMLFEYFYRU-XUTLUUPISA-N 337.383 3.860 10 1 EHCF CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)/C=C/c1cc(O)c(O)c(O)c1)C2 29123829 IMMWANKYSKQCQN-JPCPTGGHSA-N 332.396 3.575 10 1 EHCF in-vivo COc1ccccc1C(=O)/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 17835739 UHLDAQBFRZVHJW-HNENSFHCSA-N 340.295 3.714 10 1 EHCF COc1cc(/C=C/c2nc3cc(Cl)c(F)cc3[nH]2)cc(O)c1O 587784732 CNOHAFOBBDHDMV-NSCUHMNNSA-N 334.734 3.946 10 1 EHCF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C)[C@@H]1CC(=CO)C(=O)O2 2356594196 LUCOQXWMBYAVDV-HHVHBONLSA-N 334.456 3.737 10 1 EHCF COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(Cl)ccc3O)C2)cc1 95560033 ZXQNFUIFBOOKGQ-KRWDZBQOSA-N 344.798 3.752 10 1 EHCF CNc1nc(/N=N/Cc2ccc(OC)cc2)nc(Nc2ccccc2)n1 169726149 AEEJVUFORARQIV-LKUDQCMESA-N 349.398 3.949 10 1 EHCF CC(=O)N1c2ccccc2[C@@H]2[C@@H](C[C@@H](N=[N+]=[N-])[C@@H]2O)[C@H]1c1ccccc1 1857763431 GKFLTJKWHQALFC-BDUQCRIQSA-N 348.406 3.938 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]1(CO)CCCC(C)(C)[C@@H]1CC2=O 14774508 PUXJVXOVZKVJTD-MGPUTAFESA-N 332.440 3.864 10 1 EHCF biogenic COc1ccccc1C(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 101854634 UHLDAQBFRZVHJW-VHEBQXMUSA-N 340.295 3.714 10 1 EHCF NC(=O)N[C@@H](c1c(O)ccc2ccccc12)c1c[nH]c2ccccc12 98082293 UPEUMLVXHCJAEY-LJQANCHMSA-N 331.375 3.784 10 1 EHCF CCCCN1C(=O)/C(=C/N(C(=O)CC)c2ccccc2)SC1=S 101911004 GFMAEWNCGSFQEY-OWBHPGMISA-N 348.493 3.931 10 1 EHCF COc1ccc(-c2cc(O)c3c(c2)C(=O)c2ccccc2C3=O)cc1 96934744 IKJTUFNNQOTRJW-UHFFFAOYSA-N 330.339 3.843 10 1 EHCF O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(-c2ccccc2)cc1 200213106 QVHPKGCGEIQMSO-UHFFFAOYSA-N 343.379 3.999 10 1 EHCF O=C1C(=O)c2nc(CNc3ccc(Cl)cc3)oc2-c2ccccc21 653700848 WKIWYTXKGSAKBL-UHFFFAOYSA-N 338.750 3.986 10 1 EHCF O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(C(F)(F)F)cc1 84738656 GPQXWAUBDAJQPK-UHFFFAOYSA-N 337.253 3.963 10 1 EHCF CCc1ccc(O)c([C@@H]2NCCc3cc4cccc(OC)c4nc32)c1 963046500 JOGIEUZRNAZQCF-NRFANRHFSA-N 334.419 3.747 10 1 EHCF O=[N+]([O-])c1cc(-c2ccnn2-c2cccc(Cl)c2)cc(O)c1O 49070438 RQGLUEMEONJQJG-UHFFFAOYSA-N 331.715 3.512 10 1 EHCF CN1CCN([C@H]2Cc3ccc(F)cc3Sc3ccc(O)cc32)CC1 22859656 IHOYNYISJIXRQB-KRWDZBQOSA-N 344.455 3.527 10 1 EHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2O)N1 587833114 LWUPNKJWPBCBDX-XXFAHNHDSA-N 336.204 3.917 10 1 EHCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cccc(O)c3)nc21 66073783 JXSAPDKRKSXFLK-UHFFFAOYSA-N 340.338 3.711 10 1 EHCF O=C(NCc1ccccc1)c1ccc(NCc2cc(O)ccc2O)cc1 13861847 QQMFNDVDKBSOEC-UHFFFAOYSA-N 348.402 3.640 10 1 EHCF in-vivo CC(C)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2O3 169549730 KVTIOPRJJQQGEW-DMUMMCEESA-N 332.440 3.775 10 1 EHCF O=c1cccc2n1C[C@H]1C[C@@H]2CN(/N=N/c2ccc(Cl)cc2)C1 45319657 SWTPPCDXKFQWFH-ATOJGREOSA-N 328.803 3.620 10 1 EHCF C[C@@H]1CN([C@H](c2ccncc2)c2ccc3cccnc3c2O)C[C@@H](C)O1 1857540999 LBVKQIMUMIMLGQ-STXHMFSFSA-N 349.434 3.534 10 1 EHCF COc1c(C)ccc2c(O)c3c(cc12)C(=O)c1c(O)cc(C)cc1C3=O 14780151 KMNQQYHCTVIZOS-UHFFFAOYSA-N 348.354 3.652 10 1 EHCF biogenic COc1cc(/C=C\c2nc3cc(F)c(F)c(F)c3[nH]2)cc(O)c1O 587784871 DZGUIURWGQBVHX-IHWYPQMZSA-N 336.269 3.570 10 1 EHCF CCCCCCc1cc(O)cc2c1C(=O)c1c(O)ccc(O)c1C2=O 2356325107 NCCOXGYNIQFOJY-UHFFFAOYSA-N 340.375 3.702 10 1 EHCF CC[C@]1(c2ccc(O)cc2O)c2ccc(F)cc2C[C@@H]2CCCN21 963100072 PZXVXPIJYAMHLF-MGPUTAFESA-N 327.399 3.911 10 1 EHCF CC(C)=CCOc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O 5940186 AIEGEPAELPMAPY-UHFFFAOYSA-N 338.359 3.527 10 1 EHCF biogenic,in-vitro Nc1ccc(N=Nc2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1 2356844609 NXFZJCHCTVNHLV-UHFFFAOYSA-N 343.364 3.790 10 1 EHCF CN1CCc2cc(OCCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 66074308 SMRWXTZCUTYMQO-MRXNPFEDSA-N 343.398 3.588 10 1 EHCF Cc1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3ccc(F)cc23)cc1 617960095 BGFPIEINOUMITK-UHFFFAOYSA-N 333.344 3.794 10 1 EHCF CCCN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccc(O)cc2)C1 27851255 WVSUWHDLDFTNSQ-MRXNPFEDSA-N 347.842 3.857 10 1 EHCF C[C@@H](CN(C)C)Oc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O 28713981 ZTIIATLEWCTJQL-LBPRGKRZSA-N 349.386 3.537 10 1 EHCF CN1CCN([C@H](c2cccs2)c2c(O)ccc3ccccc23)CC1 653713188 WCLXGAHPMNGAMR-HXUWFJFHSA-N 338.476 3.944 10 1 EHCF O=C(c1ccsc1)c1cc2c(s1)C(=O)c1ccsc1C2=O 1648906 AQEGJFFVCJQZAY-UHFFFAOYSA-N 330.411 3.878 10 1 EHCF Nc1nn2c(-c3ccccc3)cc(O)nc2c1/N=N\c1ccc(O)cc1 102448917 NLSRKKJKTCDJPW-DQRAZIAOSA-N 346.350 3.805 10 1 EHCF Fc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685244 RHMAUOSTSPGUSW-ZNTNEXAZSA-N 333.330 3.634 10 1 EHCF CCN(CC)c1ccc([C@@]2(C)NCCc3nc4ccccn4c32)cc1 962986541 INRWSPONBFTMHN-OAQYLSRUSA-N 334.467 3.590 10 1 EHCF CCN(CC)C(=O)c1ccc(/C=C/c2c[nH]c3ccccc23)[n+](C)c1 4181392 IJMGRQRIHGVZPB-UHFFFAOYSA-O 334.443 3.645 10 3 EHCF CCc1noc(-c2cc3c(s2)C(=O)c2c(Cl)cccc2C3=O)n1 653713009 GUGSGBABOXQXBG-UHFFFAOYSA-N 344.779 3.789 10 1 EHCF COc1cc(/C=C/c2nc3ccc(SC)cc3[nH]2)cc(O)c1O 587785043 HKSLFEAOKFQMEC-ZZXKWVIFSA-N 328.393 3.875 10 1 EHCF O=c1[nH]c(-c2ccc(O)c(O)c2)nc2sc3c(c12)CCCCCC3 96907908 NOCNQVXXENXLPI-UHFFFAOYSA-N 342.420 3.722 10 1 EHCF CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 64235786 VLWAGBKSSXYAAU-FQEVSTJZSA-N 331.419 3.808 10 1 EHCF CCCSC(=S)c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O 1857773477 KAXQOERWJSLCDO-UHFFFAOYSA-N 337.426 3.613 10 1 EHCF O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)C1[C@H]2CCCC[C@H]12 103968152 DKMSIWCEBUZWEM-ZQZPBRAUSA-N 328.328 3.828 10 1 EHCF CC(C)=CCC[C@H](C)[C@@H]1C[C@H](O)[C@@H](CO)c2c1cc(C)c(O)c2O 169640522 ZBGOKIQGJBSXMG-SDNTUTLCSA-N 334.456 3.713 10 1 EHCF Nc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2)cc1 38788931 RYQVSJKGGSFMNI-UHFFFAOYSA-N 325.412 3.797 10 1 EHCF COc1ccc(/C=C2\SC(c3cccc(C(C)=O)c3)=NC2=O)cc1 71329903 YEZORZFUHQGQBP-YVLHZVERSA-N 337.400 3.959 10 1 EHCF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@H]3CC[C@@]12C 2356700373 KAQDVJJRJUJFIH-HHGNXTJHSA-N 330.424 3.886 10 1 EHCF COc1ccc2sc(Sc3ncc([N+](=O)[O-])s3)nc2c1 40901169 KRITXSPWHPOPCO-UHFFFAOYSA-N 325.396 3.821 10 1 EHCF C=C/[N+]([O-])=N/CCCCCCCCn1cc(-c2cccnc2)nn1 1857562005 AIEOTSFMQDIOOQ-NMWGTECJSA-N 328.420 3.787 10 1 EHCF O=c1cc(-c2ccccc2)oc2cc(O)c([C@H]3CCCCN3)c(O)c12 13383121 QNAISVUYZYHGLP-CYBMUJFWSA-N 337.375 3.686 10 1 EHCF biogenic CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cnc2ccccc2c1 103767583 VVSBBEOOVSQDNK-QGOAFFKASA-N 328.375 3.953 10 3 EHCF Cc1ccccc1NC(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O 1627679 GXUFIMIBJLPYBK-UHFFFAOYSA-N 345.354 3.924 10 1 EHCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N2CCCC2)c1 5886872 BYTIHTOMZAIRFT-GHVJWSGMSA-N 345.838 3.618 10 1 EHCF COc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1Cl 587786020 RGPMYFVQVZDXSJ-ARJAWSKDSA-N 346.770 3.815 10 1 EHCF CCCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1911571174 UKSPNDCTHIFGKI-UHFFFAOYSA-N 329.403 3.984 10 1 EHCF O=c1oc2c(O)c(O)ccc2cc1-c1cc(Br)cs1 34548950 RYADCYDDECPVPB-UHFFFAOYSA-N 339.166 3.695 10 1 EHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2O)N1 587830566 DNBIAUJKXTYTJB-ABKXIKBNSA-N 336.204 3.917 10 1 EHCF O=c1cc(-c2ccccc2)oc2cc(O)c([C@@H]3CCCCN3)c(O)c12 13383120 QNAISVUYZYHGLP-ZDUSSCGKSA-N 337.375 3.686 10 1 EHCF biogenic Cc1cc(=O)oc2cc(NC(=O)CCCc3ccc(N)cc3)ccc12 1772619233 IOQOWENCNMPFDK-UHFFFAOYSA-N 336.391 3.645 10 1 EHCF CN1CCN(c2ccc3nc(CCCCCCN=[N+]=[N-])[nH]c3c2)CC1 587260304 QQOSDQPBGCDKPQ-UHFFFAOYSA-N 341.463 3.728 10 1 EHCF Oc1ccccc1C1=N[C@@H](c2ccccc2O)[C@@H](c2ccccc2O)N1 1857561121 HDKDQHKNRYKXKH-BGYRXZFFSA-N 346.386 3.636 10 1 EHCF CN(C)C(=O)c1ccc(N=Nc2c(O)nc3ccccc3c2O)cc1 254071294 SPTQSDYRXKGNOC-UHFFFAOYSA-N 336.351 3.763 10 1 EHCF Cc1ccc2c(ccc3[nH]c(-c4ccc(N(C)CCO)cc4)nc32)n1 587192913 JYNXJKJSRLBNQF-UHFFFAOYSA-N 332.407 3.515 10 1 EHCF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(O)c1)CC2=O 587479990 DKAIGJMKXDCHAI-IBGZPJMESA-N 328.364 3.637 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@H]1C[C@@H]2O 13383640 XMKKZBYHMFTMOJ-MNVSYLFESA-N 348.439 3.807 10 1 EHCF biogenic C[n+]1cc(C(=O)N2CCCCC2)ccc1/C=C/c1c[nH]c2ccccc12 4181311 RBGGXWZHTJIADV-UHFFFAOYSA-O 346.454 3.789 10 3 EHCF NC1=C2CCN(c3ccccc3)[C]2Nc2ccc(Br)cc21 2356867979 DGEGTYRGLNORLF-UHFFFAOYSA-N 341.232 3.944 10 1 EHCF O=C(CCn1cnc2ccccc21)/N=N/c1c(O)[nH]c2ccccc12 13126293 PBCLVRDXTUXKOC-QURGRASLSA-N 333.351 3.924 10 1 EHCF COc1cc(C[C@H](C)[C@H](C)Cc2cc(O)c(O)c(OC)c2)ccc1O 72107562 QGQBCKHIRCELEH-QWHCGFSZSA-N 346.423 3.878 10 1 EHCF in-vitro COc1ccc2[nH]c3c(c2c1)CCN1C(=S)c2ccccc2N(C)[C@H]31 95554502 HGBJFWCNTGAVFN-IBGZPJMESA-N 349.459 3.859 10 1 EHCF COc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)cc1 103960831 PAHRLZJHBQSILG-QZQOTICOSA-N 343.314 3.711 10 1 EHCF CCN(CC)Cc1cc2c(cc1O)OCC(c1ccc(O)cc1)=C2 473146981 DYEKKHFGIVLTSN-UHFFFAOYSA-N 325.408 3.873 10 1 EHCF COc1cc2c(cc1OC)[C@@H](c1cc(C)cc(C)c1O)N(C)[C@@H](C)C2 962628446 HHOXZYFTRQFRQO-XOBRGWDASA-N 341.451 3.992 10 1 EHCF COc1ccc2c(c1O)CN(C)c1c-2ccc2cc3c(cc12)OCO3 40950509 XOZGXSFWTIOAHY-UHFFFAOYSA-N 335.359 3.900 10 1 EHCF biogenic O=[N+]([O-])c1cc(-c2ccc(O)c(O)c2)ccc1-c1ccc(O)c(O)c1 142491329 CVVCTKDWSUECRD-UHFFFAOYSA-N 339.303 3.751 10 1 EHCF CC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 102864463 SZHICFXLANQKCX-UZLBHIALSA-N 338.407 3.522 10 1 EHCF O=C1C[C@@]2(CCc3c2ccc(O)c3O)Oc2c1ccc1c2CCCC1 587531499 GRSDGKOTHDGVJC-OAQYLSRUSA-N 336.387 3.784 10 1 EHCF CCOc1ccc(O)c([C@@H]2N[C@@H]3CC[C@H]3c3ccc(OC)cc32)c1 962994275 KKBAMLRBCFDPIB-QKYXUNIQSA-N 325.408 3.738 10 1 EHCF NS(=O)(=O)c1ccc(/N=N\c2c(O)ccc3ccccc23)cc1 13110602 HNCQBQORWDWXNN-HNENSFHCSA-N 327.365 3.608 10 1 EHCF Cc1ccc(O)c(C2=NN[C@H](c3cccc(Br)c3)C2)c1 6041487 ADMQPIIVPXZPMU-AWEZNQCLSA-N 331.213 3.902 10 1 EHCF CCOC(=O)/C=C/c1ccc(O)c2c1C=Cc1cc(O)c(O)cc1O2 14768688 WIXDFLWXLUYIGH-VMPITWQZSA-N 340.331 3.656 10 1 EHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2O)N1 587830573 DNBIAUJKXTYTJB-XXFAHNHDSA-N 336.204 3.917 10 1 EHCF CCc1c(C(=O)NCCc2ccc(N)cc2)[nH]c2ccc(Cl)cc12 84688479 JTQCRMILNQUVJG-UHFFFAOYSA-N 341.842 3.938 10 1 EHCF COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(Cl)ccc3O)C2)cc1 95560034 ZXQNFUIFBOOKGQ-QGZVFWFLSA-N 344.798 3.752 10 1 EHCF CCCN(CCC)c1ccc(/C=C2\C=c3c(O)cccc3=C2O)cc1 1857599448 DMBGESVFBYJVJB-SAPNQHFASA-N 335.447 3.563 10 1 EHCF COc1cc(C/N=N/c2c(F)c(F)nc(F)c2F)cc(OC)c1O 169690377 NPKRQYFJTRLSEB-XUTLUUPISA-N 345.252 3.645 10 1 EHCF Cc1cc(=O)[nH]c(/N=N/Cc2c(C)nn(-c3ccccc3)c2Cl)n1 169692006 MDGYBLKFMAWHGP-DYTRJAOYSA-N 342.790 3.510 10 1 EHCF CCCCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl 49114239 FQYXHZIHZXSYMT-UHFFFAOYSA-N 345.760 3.831 10 1 EHCF Cc1cc(N(C)C)cc(C)c1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963023194 LOEQXJYRMVZBHY-IVZQSRNASA-N 349.478 3.512 10 1 EHCF Cc1c(-c2ccc(O)c(O)c2)c(=O)oc2ccc(Br)cc12 299835168 LWVZQYLFTBZMFE-UHFFFAOYSA-N 347.164 3.942 10 1 EHCF Cc1ccc(C)c2nc(Cl)c(/C=C3\SC(=S)NC3=O)cc12 169350384 NKOZKBRYZNJYEV-WDZFZDKYSA-N 334.853 3.994 10 1 EHCF COc1cc([C@@H]2NCCc3cc(C)c(F)cc32)ccc1N1CCCC1 962088989 FHDXORCIYKFZLN-NRFANRHFSA-N 340.442 3.978 10 1 EHCF O=C(C(=O)c1coc2cc([N+](=O)[O-])ccc12)c1c[nH]c2ccccc12 587279740 QDXOIOZZPCGNCW-UHFFFAOYSA-N 334.287 3.888 10 1 EHCF CC[C@H](C)C(=O)[C@@H]1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O 100772806 GDCZKZRPSCZJKH-LSDHHAIUSA-N 332.440 3.638 10 1 EHCF endogenous,in-man COC(=O)c1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]23)cc1 94352 QNNQRBONDFMTCC-JTDSTZFVSA-N 349.386 3.998 10 1 EHCF CCOC(=O)c1sc2nc(C3CC3)cc(C(F)(F)F)c2c1N 6366126 VAIVTTDITZVUGG-UHFFFAOYSA-N 330.331 3.951 10 1 EHCF COc1cccc(OCC(COc2cccc(OC)c2)N=[N+]=[N-])c1 2178320264 USDSRHGEHHZSES-UHFFFAOYSA-N 329.356 3.841 10 1 EHCF CCC(=O)NC[C@@H]1CCc2cc(OC)ccc2N1Cc1ccccc1 473112612 FSEJSMBLNHLXAI-SFHVURJKSA-N 338.451 3.543 10 1 EHCF CCCc1ccc2c(c1)NC(=O)[C@@]21NN=C(c2ccc(C)cc2)S1 28824724 ZLQIPOKBETYHMN-LJQANCHMSA-N 337.448 3.751 10 1 EHCF Cc1cc(N(C)C)cc(C)c1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023197 LOEQXJYRMVZBHY-OYHNWAKOSA-N 349.478 3.512 10 1 EHCF CCCC[C@]1(N=[N+]=[N-])C(=O)[C@H]2C=CC=C3c4ccccc4N(C1=O)[C@@H]32 102943198 KNJMPWFRRBMENG-QOKNQOGYSA-N 334.379 3.793 10 1 EHCF COc1ccc(C/N=N/c2ncc(Br)cn2)c(OC)c1 169692253 KMBFASROTUSGKQ-ISLYRVAYSA-N 337.177 3.540 10 1 EHCF O=C(c1ccccc1NCc1ccncc1)c1n[nH]c2ccccc12 40395272 DRRAMGVRTONFNA-UHFFFAOYSA-N 328.375 3.801 10 1 EHCF Cc1ccc(C)c(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)c1 96901535 DYHBKJKGZMSMIP-VHEBQXMUSA-N 329.381 3.963 10 1 EHCF CNC1=NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3F)c2C)S1 73139558 FNQDRWHMTJGGAC-CHHVJCJISA-N 347.390 3.562 10 1 EHCF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(Cl)cc(C)c1O 963631429 DIOLVWRYVDJSRH-VOJFVSQTSA-N 347.842 3.995 10 1 EHCF C[C@@H](COc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O)N(C)C 28713983 HTJRAEYDZNBECV-LBPRGKRZSA-N 349.386 3.537 10 1 EHCF COc1ccc2c(c1)/C(=C\c1c(C)nc3sc(C)cn13)C(=O)N2C 5892900 QTAGQBQWZDQICF-RIYZIHGNSA-N 339.420 3.538 10 1 EHCF Cc1cccc(Cl)c1Nc1nc2c(O)c(O)ccc2n2cncc12 26572011 BPRCXTXWLHCTQI-UHFFFAOYSA-N 340.770 3.999 10 1 EHCF COc1cc(C[C@@H](C)[C@H](C)c2cc(O)c(O)c(OC)c2)ccc1O 73129862 ZZYMCNQFEJEDAR-NEPJUHHUSA-N 332.396 3.803 10 1 EHCF Cc1ccc(-c2cc(-c3cc(O)c(O)c([N+](=O)[O-])c3)on2)c(Cl)n1 49112173 RROBZWZCGITMTD-UHFFFAOYSA-N 347.714 3.685 10 1 EHCF O=C1/C(=C/c2ccccc2F)SC(=S)N1Cc1ccncc1 169327318 USOPBHDACZEHBK-ZROIWOOFSA-N 330.409 3.622 10 1 EHCF CCOC(=O)c1cc(C)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1C 587936579 WYZZBDDYMZVTJI-UHFFFAOYSA-N 340.423 3.826 10 1 EHCF CC(C)=CCc1c(O)ccc2c1OC[C@H]1c3cc(O)c(O)cc3O[C@H]21 14819662 JCVINYPLRARDTP-VBKZILBWSA-N 340.375 3.922 10 1 EHCF biogenic CC[C@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2O)N1 4729731 WZZIWDXHFLCAFY-OXJNMPFZSA-N 338.407 3.771 10 3 EHCF aggregator O=C(C(=O)c1ccccn1)c1cccc(NC(=O)C2CCCCC2)c1 66251834 HUIRDIXGHDAGJI-UHFFFAOYSA-N 336.391 3.666 10 1 EHCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)CCCCc1ccccc1 169337017 QJDUGOIULSJWST-ACCUITESSA-N 332.421 3.506 10 1 EHCF CN1CCN([C@@H]2Cc3ccc(F)cc3Sc3ccc(O)cc32)CC1 22859650 IHOYNYISJIXRQB-QGZVFWFLSA-N 344.455 3.527 10 1 EHCF Oc1ccc2oc(Cc3ccccc3)cc2c1CN1CCC[C@@H](O)C1 103262344 VPTGOCFZLJQIOT-MRXNPFEDSA-N 337.419 3.686 10 1 EHCF [N-]=[N+]=NCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574673 GGRHOZASDNXJFP-DZGCQCFKSA-N 325.324 3.813 10 1 EHCF COC(=O)c1c(C)c(OC)cc(O)c1CNc1cccc(Cl)c1 28950804 DSKPODLDFXLTPF-UHFFFAOYSA-N 335.787 3.761 10 1 EHCF CC1(C)OC(=O)C[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586912849 XNYSWJYPQZZFBJ-CQSZACIVSA-N 337.379 3.747 10 1 EHCF CCCc1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 473085717 YIBCRVRBCZIFHD-UHFFFAOYSA-N 348.354 3.535 10 1 EHCF CCOC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169299738 YEOCARBJULMLJM-UHIISALHSA-N 327.302 3.602 10 3 EHCF O=c1oc2ccccc2c2oc3ccc(O)c(CN4CCCC4)c3c12 1857607750 PCMYXHKIRHKRPG-UHFFFAOYSA-N 335.359 3.994 10 1 EHCF COc1cc2c(c3oc4cc(O)c(O)cc4c(=O)c13)C=CC(C)(C)O2 14780249 CSVZNKKSWFXPMC-UHFFFAOYSA-N 340.331 3.550 10 1 EHCF biogenic,in-vitro C[C@@H](O)Cc1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O 1857749729 DRMXWQLIZYRIHE-SZELWCTASA-N 332.440 3.692 10 1 EHCF CCCC[C@]1(N=[N+]=[N-])C(=O)[C@H]2C=CC=C3c4ccccc4N(C1=O)[C@H]32 299814496 KNJMPWFRRBMENG-GMBSWORKSA-N 334.379 3.793 10 1 EHCF CC1(C)CCC[C@]2(C)c3c(O)c(O)c4c(c3CC[C@@H]12)C(=O)OCC4 653708749 NPLLLIJXJPLNRA-RBZFPXEDSA-N 330.424 3.841 10 1 EHCF O=C(Nc1nnc(-c2ccc(O)c(O)c2)s1)c1ccc(Cl)cc1 1772590937 ZSPVKLRURCDJHV-UHFFFAOYSA-N 347.783 3.522 10 1 EHCF O=C1C(=O)[C@H](CSc2ccc(Cl)cc2)C(=O)c2ccccc21 169714717 SJGXMKRGZDXLSB-CQSZACIVSA-N 330.792 3.697 10 1 EHCF CC[C@H]1C(=O)N(CC2CCCCC2)c2sc3ccccc3[n+]2C1=O 101336228 DSAFEZWPXHHTBJ-AWEZNQCLSA-N 343.472 3.782 10 1 EHCF COc1cccc2cc3c(nc12)[C@@H](c1c(C)cc(C)cc1O)NCC3 963040483 XCWRBXXEIUWNOV-OAQYLSRUSA-N 334.419 3.801 10 1 EHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](CC3=O)[C@H]2O 2356376903 ZPGPREPDSQALNB-VDWZUQCSSA-N 344.451 3.921 10 1 EHCF Oc1nc(CSC(=S)NCc2cccs2)nc2ccccc12 653688540 NRTCSPXDFSVVEU-UHFFFAOYSA-N 347.490 3.705 10 1 EHCF CCCOc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2 40877998 BCZNYILKVXTJOI-MRXNPFEDSA-N 325.408 3.639 10 1 EHCF CCOC(=O)c1cc(C)n(-c2cccc(Br)c2N)c1C 587936298 IAJIKNOFSBHYPP-UHFFFAOYSA-N 337.217 3.616 10 1 EHCF COc1ccc2c(c1)c(CCN)c(C)n2Cc1ccc(F)c(F)c1 653785923 OLTUTOPJMSXTTL-UHFFFAOYSA-N 330.378 3.786 10 1 EHCF O=C(O)c1ccc2c(c1)/C(=C/Cn1ccnc1)c1ccccc1CO2 13727059 JXRWSKFOTOHQDH-REZTVBANSA-N 332.359 3.606 10 1 EHCF O=C1CCCc2c1c1c(n2Cc2ccccn2)-c2ccccc2C1=O 73312049 QQAGNKOXTYBSNU-UHFFFAOYSA-N 328.371 3.662 10 1 EHCF COc1ccc(OCC(=O)N=Nc2c(O)[nH]c3ccc(F)cc23)cc1 617960071 PAHRLZJHBQSILG-UHFFFAOYSA-N 343.314 3.711 10 1 EHCF CCC(=O)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O 653700238 AMKIIPGDXPHULB-UHFFFAOYSA-N 349.205 3.879 10 1 EHCF CN1C=C2Sc3cc(N4CCNCC4)ccc3N=C2c2ccccc21 1857536323 WMFFTJLPTPPERV-UHFFFAOYSA-N 348.475 3.614 10 1 EHCF CC(C)(C)c1cc(/C=C2\SC(NO)=NC2=O)cc(C(C)(C)C)c1O 13734167 BBVRYNOHSCGZRP-LCYFTJDESA-N 348.468 3.936 10 1 EHCF Nc1ccc(Oc2ccc3nc(-c4c(N)cccc4O)[nH]c3c2)cc1 587249094 BJKQUAMWGNSSJC-UHFFFAOYSA-N 332.363 3.892 10 1 EHCF CCOC(=O)/C=C/c1cccc(/C=C/c2cc(O)c(O)c(O)c2)c1 1772622798 YAHPNMOVQWHKOF-BLHCBFLLSA-N 326.348 3.550 10 1 EHCF Cc1c(F)ccc2c1[C@H](c1c(O)ccc([N+](=O)[O-])c1Cl)NCC2 962094055 RFIQVCYSHFHONC-MRXNPFEDSA-N 336.750 3.636 10 1 EHCF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(F)cc(C)c1O 963049916 WMKMLERZJRUETC-LJQANCHMSA-N 338.382 3.632 10 1 EHCF C[C@H](CN(C)C)Oc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O 28713982 ZTIIATLEWCTJQL-GFCCVEGCSA-N 349.386 3.537 10 1 EHCF COc1ccc(/C=C2\SC(c3ccc(OC)cc3)=NC2=O)cc1 71318096 YLMMKMOIJVMZTL-WJDWOHSUSA-N 325.389 3.765 10 1 EHCF O=c1ccc([C@@H]2Nc3ccccc3N[C@H]2c2ccc(Cl)cc2)n[nH]1 103295635 QNGXZQIGFZUCFF-ROUUACIJSA-N 338.798 3.743 10 1 EHCF COc1cc(/C=C\c2nc3ccc4ncccc4c3[nH]2)cc(O)c1O 587785935 PZIYPCNWAHMWRN-DAXSKMNVSA-N 333.347 3.701 10 1 EHCF O=C1C[C@@]2(C(=O)c3ccccc31)c1ccc(C(F)(F)F)c3c1CCN32 962703777 MUQFQGMFPNYKNT-SFHVURJKSA-N 343.304 3.746 10 1 EHCF C[C@H]([C@@H](O)Cc1ccccc1)N(C)/N=N/c1ccc([N+](=O)[O-])cc1 5822954 GTBBQYABAALZEK-OYVAYXJNSA-N 328.372 3.517 10 1 EHCF CCCCNCc1cc2c(cc1O)OC=C(c1ccc(O)cc1)C2 473154437 HNCLNMCXQQPKCF-UHFFFAOYSA-N 325.408 3.964 10 1 EHCF CC(=O)Nc1ccc2cc3ccc(NC(=O)CN=[N+]=[N-])cc3nc2c1 71318186 ZDCOJTQHWLLNIK-UHFFFAOYSA-N 334.339 3.595 10 1 EHCF COc1cc(/C=C\c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(O)c1O 587785890 PHDYWRVZHHQWNU-YVMONPNESA-N 339.395 3.846 10 1 EHCF Cc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)n[nH]1 5687180 PGWGMFOIRPBPDH-VHEBQXMUSA-N 348.160 3.592 10 1 EHCF COc1ccc2nc3cc(Cl)ccc3c(N3CCN(C)CC3)c2c1 40892657 IIPWXYDEZUANJK-UHFFFAOYSA-N 341.842 3.802 10 1 EHCF COc1ccc2[nH]c3c(c2c1)CCN1C(=S)c2ccccc2N(C)[C@@H]31 95554501 HGBJFWCNTGAVFN-LJQANCHMSA-N 349.459 3.859 10 1 EHCF Cc1c(O)cc2c3c1OC(C)(C)C[C@@H]3c1ccc(O)c(O)c1CC2 14724874 VKSWXZSFBSSEFC-CQSZACIVSA-N 326.392 3.903 10 1 EHCF biogenic COc1cc2ccc3c(c2cc1O)N(C)Cc1c-3ccc(OC)c1O 2356868481 XCGXLSXSIXWOJO-UHFFFAOYSA-N 337.375 3.885 10 1 EHCF Oc1ccc(/C=C/c2cc(/C=C/c3ccc(O)c(O)c3)on2)cc1O 64510661 MRVJPTOSZPRQGE-IJIVKGSJSA-N 337.331 3.838 10 1 EHCF CC(C)c1c(O)c(O)c2c(c1O)C(=O)C[C@@H]1C(C)(C)C(=O)CC[C@@]21C 14774107 CZIBUABEIQOGMV-BIBXISHDSA-N 346.423 3.776 10 1 EHCF biogenic CCCOc1ccccc1CCOC(=O)/C=C/c1ccc(O)c(O)c1 1772601943 NBRDWLLHUXVGFP-CSKARUKUSA-N 342.391 3.686 10 1 EHCF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccccn1 617960022 DIEPTTHRLFFSDV-UHFFFAOYSA-N 345.156 3.955 10 1 EHCF CN(C)Cc1c(O)ccc2c1nc(CSc1ccccc1)n2C 64559304 CUTKWKRPBSQGDJ-UHFFFAOYSA-N 327.453 3.633 10 1 EHCF O=C(Nc1ccccc1)c1cc(Cc2ccccc2)c(O)c(O)c1O 29464710 QFCGWKILQYTRID-UHFFFAOYSA-N 335.359 3.647 10 1 EHCF in-vivo Cc1ccc(C)c(S(=O)(=O)N=Nc2c(O)[nH]c3ccccc23)c1 253979189 DYHBKJKGZMSMIP-UHFFFAOYSA-N 329.381 3.963 10 1 EHCF CC(C)(O)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3 2356405914 IFNZKLIYPYMPMH-LAPQFRIASA-N 332.440 3.864 10 1 EHCF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@H](c3ccco3)C2)ccc1O 35013082 PLLXGIICUJSWCR-KRWDZBQOSA-N 347.374 3.680 10 1 EHCF Cc1ccc(O)c(/N=N\c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 13123973 QPHMQXKZHXWDTK-HNENSFHCSA-N 345.424 3.901 10 1 EHCF Cc1c(-c2ccc(N(C)C)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587651004 YRJOCFQFIVPQLX-UHFFFAOYSA-N 328.437 3.613 10 1 EHCF COCCCN1CCc2ccc(OC)cc2[C@@]1(C)c1ccccc1O 961328003 WAADKKHCMZGABA-OAQYLSRUSA-N 341.451 3.559 10 1 EHCF O=c1oc2ccc(Br)cc2cc1-c1ccc(O)c(O)c1 299823572 RBIKCIUXYHNNTP-UHFFFAOYSA-N 333.137 3.634 10 1 EHCF O=C1CCC(=O)c2c1c(O)cc1c2-c2ccc(O)c3c(O)ccc-1c23 2356721464 FQKFHJXXFKAALT-UHFFFAOYSA-N 332.311 3.763 10 1 EHCF CN(CCO)c1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 587192968 NCBHIZDJLFICBJ-UHFFFAOYSA-N 335.329 3.677 10 1 EHCF COc1cc2c3c(c1)O[C@](C)(CSc1ncc(C)s1)[C@@H](C2)C3=O 587449797 HGPXLKZEKZZEKS-YVEFUNNKSA-N 347.461 3.759 10 1 EHCF COc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1Cl 587786024 RGPMYFVQVZDXSJ-ONEGZZNKSA-N 346.770 3.815 10 1 EHCF CC(C)c1c(O)c(O)c2c(c1O)C(=O)[C@H](O)[C@@H]1C(C)(C)CCC[C@@]21C 2356443446 MJTJMEVBBSUXNW-NSHGMRRFSA-N 348.439 3.568 10 1 EHCF Oc1ccc(-c2csc(=NCc3ccc(Cl)cc3)[nH]2)cc1O 1857759111 YVERGSRDGHCXOY-UHFFFAOYSA-N 332.812 3.909 10 1 EHCF CN(C)CCCNc1c2ccccc2nc2c(F)ccc([N+](=O)[O-])c12 5957725 KJZXYAAANXOWCW-UHFFFAOYSA-N 342.374 3.799 10 1 EHCF CC(C)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@]2(C)O3 2356620432 SCQXHETZRUJEHL-YHELAOLJSA-N 346.467 3.949 10 1 EHCF CCCC[C@]1(N=[N+]=[N-])C(=O)[C@@H]2C=CC=C3c4ccccc4N(C1=O)[C@@H]32 73242985 KNJMPWFRRBMENG-ALKREAHSSA-N 334.379 3.793 10 1 EHCF CCc1ccccc1C1(Br)C(=O)c2ccccc2C1=O 1564137 JVTFTZVXZFAXFU-UHFFFAOYSA-N 329.193 3.918 10 1 EHCF CC=Cc1ccc(O[C@H](C)[C@H](O)c2ccc(O)c(O)c2)c(OC)c1 2356452956 JHOZAHGAFHAOBZ-BLVKFPJESA-N 330.380 3.640 10 1 EHCF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@H]3CC[C@]12C 2356700374 KAQDVJJRJUJFIH-LEBLXQRQSA-N 330.424 3.886 10 1 EHCF CN1c2cc(Cl)ccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 95555620 CUKWAUDSKSRKGK-SFHVURJKSA-N 337.810 3.968 10 1 EHCF COc1ccccc1OCC(=O)N=Nc1c(O)[nH]c2ccc(F)cc12 617960042 BWCCRHDPYKHNFL-UHFFFAOYSA-N 343.314 3.711 10 1 EHCF CCOC(=O)/C=C/c1cc(O)c2oc(-c3ccc(O)c(O)c3)cc2c1 299861242 HYXFFKGYRVGMFD-ZZXKWVIFSA-N 340.331 3.793 10 1 EHCF C[C@H](CCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)CC(=O)O 587963138 OMUKALDFRWALFQ-GFCCVEGCSA-N 339.395 3.981 10 1 EHCF Cc1cc(O)c2c(c1)C(=O)c1cc(O)c(-c3ccccc3)c(O)c1C2=O 1772609386 JOWDKICIVLXYDX-UHFFFAOYSA-N 346.338 3.554 10 1 EHCF C[C@H](CCNc1c2ccccc2nc2ccccc12)N1CCN(C)CC1 45230974 LUVQGMJWCQIZJG-QGZVFWFLSA-N 348.494 3.826 10 1 EHCF