smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 88837 IXSVSNKMOZZWGJ-GHXNOFRVSA-N 345.713 4.369 10 50 EICA Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c(C)c1 2918768 QXUJLKUZXSFOBD-YBEGLDIGSA-N 341.457 4.415 10 50 EICA C[C@H](CCCC(C)(C)O)NCc1cc(-c2ccccc2)ccc1O 11787196 NDTLDFGRZTYBTB-MRXNPFEDSA-N 327.468 4.479 10 50 EICA CC(=O)N[C@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O 87270 NTUQQFGFRQITLD-QGZVFWFLSA-N 340.810 4.128 10 50 EICA O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 4697090 ZJRRXSHPDQPRCB-DAYGRLMNSA-N 337.335 4.330 10 50 EICA CCN(CC)c1ccc(CNc2ccc(Br)cn2)cc1 617614 YKJWAZAPTHMAIX-UHFFFAOYSA-N 334.261 4.302 10 50 EICA aggregator Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)c1C 13810065 DMNRJKYJTGJZFA-SXGWCWSVSA-N 326.421 4.035 10 50 EICA CN(C)c1ccc([C@@H]2N=C(S)NC3=C2CCc2ccccc23)cc1 201647 YTQNVEORWAVBBW-SFHVURJKSA-N 335.476 4.040 10 50 EICA CCc1c(C)c2cc(Cl)c(O)c(CN3CCC[C@@H](C)C3)c2oc1=O 20362797 IOJVXSUWACTTBY-LLVKDONJSA-N 349.858 4.255 10 50 EICA O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@H]21 101164101 AMXXQAQJHXLUKO-ZOPJHEKZSA-N 340.379 4.103 10 50 EICA O=C1/C(=C/c2ccccn2)SC(=S)N1Cc1ccc(Cl)cc1 1175504 RKDBGOMAYUYNDX-ZROIWOOFSA-N 346.864 4.136 10 50 EICA CSc1ccc(C(=O)[C@H]2CCCN(Cc3ccccc3O)C2)cc1 12209172 CUACFPHCWCCSRJ-KRWDZBQOSA-N 341.476 4.209 10 50 EICA Cc1ccnc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)c1 19800002 TVPUVEWTDLBXFX-IBGZPJMESA-N 342.402 4.240 10 50 EICA Cc1cccc(-c2cn[nH]c2C2CCN(Cc3ccccc3O)CC2)c1 11785185 RSOYQUPGJLTATE-UHFFFAOYSA-N 347.462 4.470 10 50 EICA CC(C)CC(=O)N[C@H](c1cccs1)c1ccc2cccnc2c1O 92403 MDLWLVWPYPTEPB-SFHVURJKSA-N 340.448 4.254 10 50 EICA O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@H]21 245231438 CLXVLQZKEKFOOF-PSTGCABASA-N 337.335 4.330 10 50 EICA CC[C@H]1CCCCN1Cc1cc(-c2nc(C)cnc2C)ccc1O 11881552 FODYTSYRVHIWNM-SFHVURJKSA-N 325.456 4.231 10 50 EICA COc1ccc(N2CCC(NC[C@H]3CC[C@@H]4CCC[C@@H]43)CC2)cc1 1857679864 YJMQIXONXBCEQK-FVJLSDCUSA-N 328.500 4.080 10 50 EICA Oc1ccc(Br)cc1CNc1ccc(F)c(F)c1F 732338 FICGRGQEJGOPGV-UHFFFAOYSA-N 332.119 4.184 10 50 EICA CCOc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 15015231 VMDWTPWXLPBSDS-GDNBJRDFSA-N 345.445 4.080 10 50 EICA O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@H]21 239274654 AMXXQAQJHXLUKO-IPJQOSJUSA-N 340.379 4.103 10 50 EICA Cc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 1022070 ADTNPZGLVFOSSP-LFIBNONCSA-N 325.458 4.396 10 50 EICA O=S(=O)(O)c1cc(/N=N/c2ccccc2)c(O)c2ccccc12 4582929 DAISYBLBVLGOIY-ISLYRVAYSA-N 328.349 4.208 10 50 EICA CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(C(=O)O)c2)c1C 32919437 JPTFIFAVPKDTTJ-UHFFFAOYSA-N 349.386 4.328 10 50 EICA S=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCOCC1 283790 KORAHNXRCDXTID-UHFFFAOYSA-N 342.247 4.261 10 50 EICA FC(F)(F)C1CCN(c2ccc(CN3CCCCC3)cc2)CC1 263639985 RJAAAMYKROFWJR-UHFFFAOYSA-N 326.406 4.451 10 50 EICA CC(C)CN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 1446640 UVGUWKMUKNEOOT-SDQBBNPISA-N 329.849 4.336 10 50 EICA Cc1cc(C)cc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)c1 13785658 BVMMYTBDKKYXMK-YVLHZVERSA-N 340.448 4.377 10 50 EICA Fc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 1423484 IUWZSQRHCWOWEN-UHFFFAOYSA-N 335.338 4.245 10 50 EICA CCOC(=O)c1sc2nc3c(cc2c1N)C[C@H](C(C)(C)C)CC3 367152 UZGCAMIQNKEMFP-LLVKDONJSA-N 332.469 4.206 10 50 EICA O=C1/C(=C\c2cccc(F)c2)SC(=S)N1Cc1ccccc1 15011481 RALKUQLRJIOYAJ-XNTDXEJSSA-N 329.421 4.227 10 50 EICA CCn1c(/C=C/C=C2/SCCN2C)[n+](CC)c2cc(Cl)ccc21 409007 RUGPWTLGSUWTQF-UHFFFAOYSA-N 348.923 4.155 10 50 EICA C[C@@H](Nc1ccc(Br)cn1)c1cc(Cl)ccc1O 20290367 DMNOHUCRAOCAAX-MRVPVSSYSA-N 327.609 4.376 10 50 EICA CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S 1193479 GZTCJTAAKXXHKC-JYRVWZFOSA-N 335.837 4.431 10 50 EICA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(C)cc1 4982658 HESNVCSNRNBSHK-BOPFTXTBSA-N 325.799 4.367 10 50 EICA Cc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)c(C)c1 4819188 WMWMTAKYRJGWJF-OQLLNIDSSA-N 326.446 4.104 10 50 EICA CCn1c(NCc2cc(Br)ccc2O)nc2ccccc21 285493 GUVFPFMXZFAHAM-UHFFFAOYSA-N 346.228 4.136 10 50 EICA O=S(=O)(Nc1cc(Cl)c(O)c2ccccc12)c1cccs1 207306 HUWAMJAMAUCVCJ-UHFFFAOYSA-N 339.825 4.061 10 50 EICA CCN(CC)Cc1c(O)ccc2occ(C(=O)c3cccs3)c12 19782309 QKNLCZWCNFDPBB-UHFFFAOYSA-N 329.421 4.273 10 50 EICA Cc1ccc(C2=C/C(=C(/CCC(=O)O)c3ccc(C)cc3)C(=O)N2)cc1 2250597 ABSIBCLQUQBAGW-VHEBQXMUSA-N 347.414 4.093 10 50 EICA COc1ccc(CCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 3642514 NORFQZJFEUVXFP-UHFFFAOYSA-N 345.402 4.321 10 50 EICA O=C1OC(c2ccccc2)=C/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 453332 QEMBMTDVSFODBK-JYRVWZFOSA-N 327.723 4.230 10 50 EICA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 5283597 WPOIVMFGQINIKM-UWVAXJGDSA-N 349.390 4.380 10 50 EICA CCOc1ccc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)cc1 15767395 DTRBELYRNNYBFF-ATVHPVEESA-N 338.432 4.476 10 50 EICA Cn1ccc(/C=C/C(=O)N(Cc2cccs2)c2ccc(F)cc2)c1 328596505 XENBTKYFNOYJKD-RUDMXATFSA-N 340.423 4.472 10 50 EICA O=C(O)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc1 13471370 DQSILZGBKAYAAI-CPUCHLNUSA-N 327.330 4.490 10 50 EICA Fc1ccccc1OCc1nc(-c2ccc(-n3cccc3)cc2)no1 4686725 SFUWBWIEUIDZSW-UHFFFAOYSA-N 335.338 4.245 10 50 EICA CC(C)(C)C1=NN(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)OCO2 2053556436 HDVGRUHAGPIRQW-UHFFFAOYSA-N 348.402 4.248 10 50 EICA COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1OC 257235 OEZWNIKWUNZGGV-BOPFTXTBSA-N 339.416 4.073 10 50 EICA O=C1c2ccccc2C(=O)c2c1ccc(C1CCCCC1)c2[N+](=O)[O-] 4976871 WRDYBZSIYXYQAG-UHFFFAOYSA-N 335.359 4.418 10 50 EICA CN(C)c1ccc([C@@H](c2ccccc2)n2nnc3ccccc32)cc1 5328650 WDDKXKNEUKALBY-OAQYLSRUSA-N 328.419 4.135 10 50 EICA COc1ccc(OC)c(C2=C/C(=C/c3ccccc3Cl)C(=O)O2)c1 200008 IYOZEYXWVYRPSE-LCYFTJDESA-N 342.778 4.339 10 50 EICA COC(=O)c1ccc([C@@H]2Nc3c(OC)cccc3[C@H]3C=CC[C@@H]32)cc1 4151361 AQXVDBCIBIMVFA-BXWFABGCSA-N 335.403 4.308 10 50 EICA COc1cc2c(cc1OC)CN(Cc1c(O)ccc3ccccc13)CC2 5720278 SKHSCOOETIOUBP-UHFFFAOYSA-N 349.430 4.121 10 50 EICA CN(C)Cc1c(O)ccc2c1c(-c1ccccc1)nn2-c1ccccc1 502634 VBDXHMDDESVPRB-UHFFFAOYSA-N 343.430 4.460 10 50 EICA CCn1cnc2cc(NCc3ccc(Br)cc3)ccc21 423330 XCJUBTGJTNQTLJ-UHFFFAOYSA-N 330.229 4.431 10 50 EICA CCn1c(/C=C/c2c(C)[nH]c3ccccc23)nc2ccccc2c1=O 4170840 IOWRYAAXGNIWOH-OUKQBFOZSA-N 329.403 4.377 10 50 EICA CCCCC1=NN2C(=N)/C(=C/c3ccc(Cl)cc3)C(=O)N=C2S1 4725371 IBEMXIABVPNGGO-LITBSJMGSA-N 346.843 4.149 10 50 EICA O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCCCC3)c2o1 116773 PODWTADXQSKRMR-UHFFFAOYSA-N 335.403 4.152 10 50 EICA aggregator,biogenic CCCCC[C@@H]1C(=O)N2C=C(c3ccccc3)c3ccccc3N2C1=O 2038936 KATBVKFXGKGUFE-GOSISDBHSA-N 346.430 4.376 10 50 EICA in-man CNc1c(Cl)c(Cl)c(Cl)c2c1C(=O)c1ccccc1C2=O 4989715 WYIKYLNOHKFKEA-UHFFFAOYSA-N 340.593 4.464 10 50 EICA Cc1ccsc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 1188007 DTSOGIGLPLKTGH-NTEUORMPSA-N 331.487 4.458 10 50 EICA C/C(=C1/SC(=S)N(Cc2ccccc2)C1=O)c1ccc(O)cc1 1165296 LFBBKLQPNIUROD-VBKFSLOCSA-N 341.457 4.184 10 50 EICA Cc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1[N+](=O)[O-] 4623238 PYKDCBAVVFLXCD-UHFFFAOYSA-N 346.346 4.411 10 50 EICA O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc2ccccc2c1 48539 KLZBAALATNLLOK-UHFFFAOYSA-N 349.411 4.499 10 50 EICA O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O 4867385 MXARHCNPZVFDSB-QGZVFWFLSA-N 348.427 4.445 10 50 EICA Cc1cccc(N2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)c1 13755969 QWXCHTAIAQZUAR-SFQUDFHCSA-N 338.432 4.302 10 50 EICA CCOc1cccc(CN2CC=C(c3ccc(F)cc3)CC2)c1O 4986246 SIRLJAAFUDHFSZ-UHFFFAOYSA-N 327.399 4.219 10 50 EICA CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O 100014735 XUSYGBPHQBWGAD-YRVVQQKDSA-N 330.424 4.287 10 50 EICA in-vitro O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(Oc3ccccc3)c21 4989906 WGJZOKGIPCBXQK-UHFFFAOYSA-N 345.310 4.163 10 50 EICA O=C(c1ccco1)c1coc2ccc(O)c(CN3CCCCCC3)c12 217941659 QGPLIZSLQMQXRD-UHFFFAOYSA-N 339.391 4.338 10 50 EICA biogenic CCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 4524111 BCDFWRMGLBWQGU-DHZHZOJOSA-N 342.283 4.060 10 50 EICA O=C1c2ccccc2C(=O)c2c1cc(Cl)cc2N1CCCCC1 4140724 HFYHBCADEOLMHM-UHFFFAOYSA-N 325.795 4.106 10 50 EICA O=C(c1ccsc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1O 225781973 WUUXHNQCJVIUNE-HNNXBMFYSA-N 338.388 4.038 10 50 EICA O=C(c1cccs1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 498932 YOCHRCSMBNNZQG-KRWDZBQOSA-N 348.427 4.445 10 50 EICA O=c1oc2c(CN3CCCCC3)c(O)ccc2cc1-c1ccccc1 1317602 ZOOGQJOPWJIBRC-UHFFFAOYSA-N 335.403 4.152 10 50 EICA biogenic CC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1 470506 VXZLRFFNODAIOP-UHFFFAOYSA-N 339.416 4.426 10 50 EICA CCCCn1c(NCc2cccc(OC)c2O)nc2ccccc21 1840873 GFIAIAJKOHKFPX-UHFFFAOYSA-N 325.412 4.163 10 50 EICA COc1cccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)c1OC 13574024 TZWDMIBHYKMQRV-GZTJUZNOSA-N 336.387 4.302 10 50 EICA Cc1ccnc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)c1 19800004 TVPUVEWTDLBXFX-LJQANCHMSA-N 342.402 4.240 10 50 EICA O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc(Cl)cc1 1150684 MDVWZFYISVFTBU-UKTHLTGXSA-N 332.837 4.141 10 50 EICA O=[N+]([O-])c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc1 4714164 YMVUKSQPEIRBPV-VBQJREDUSA-N 337.335 4.330 10 50 EICA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccccc1 432547 CTFIZQPTWQLNME-UVTDQMKNSA-N 327.177 4.430 10 50 EICA COc1cccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1 1813841 QONAVZWZDOUOGM-DHDCSXOGSA-N 345.420 4.240 10 50 EICA O=C(CC1(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccccc1 398999 RMDJHCGTHAGOQD-UHFFFAOYSA-N 340.378 4.277 10 50 EICA COCCCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 2375629 AAYLNGXZOKUPNF-PTNGSMBKSA-N 335.494 4.048 10 50 EICA Cc1c(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cccc1[N+](=O)[O-] 4623241 XXAPUSGVZQCMFP-UHFFFAOYSA-N 346.346 4.411 10 50 EICA Cc1ccc([C@@H](NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1 102677 IEJCDDPVSNZCAS-GOSISDBHSA-N 334.419 4.110 10 50 EICA CC(=O)N[C@@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O 87266 NTUQQFGFRQITLD-KRWDZBQOSA-N 340.810 4.128 10 50 EICA CC1(C)CC2(CC(C)(C)c3cc(O)c(O)cc32)c2cc(O)c(O)cc21 45127 POFMQEVZKZVAPQ-UHFFFAOYSA-N 340.419 4.158 10 50 EICA biogenic Cc1cnc(C)c(-c2ccc(O)c(CN(C)Cc3ccsc3)c2)n1 11971989 OJUWLTKCWJESBC-UHFFFAOYSA-N 339.464 4.160 10 50 EICA O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)c1 13562262 PADQUVZDTGNTLH-RKVPGOIHSA-N 337.335 4.330 10 50 EICA CCCC(=O)N[C@@H](c1cccs1)c1ccc2cccnc2c1O 87166 HQMZBXRQASJEMD-QGZVFWFLSA-N 326.421 4.008 10 50 EICA CC(=O)c1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1 612990 GIHNJNRXYPVHAJ-UHFFFAOYSA-N 330.438 4.103 10 50 EICA CCCCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 2314398 FMFCUKOLCOUSFY-SAPNQHFASA-N 344.480 4.322 10 50 EICA CCN(Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)C1CCCCC1 122757 VALXNNILOGGICK-UHFFFAOYSA-N 341.451 4.142 10 50 EICA biogenic CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(F)cc1 13575901 NFANMZMVXGDSLD-YBEGLDIGSA-N 329.762 4.198 10 50 EICA Oc1cccc(Cl)c1CN1CCO[C@H](c2ccc(Cl)cc2)C1 768376599 UHUAWRZWVHQPAQ-KRWDZBQOSA-N 338.234 4.273 10 50 EICA CC(=O)c1cccc(-n2c(CCC(=O)O)ccc2-c2cccs2)c1 470662 VTVDMGLTCQIOLF-UHFFFAOYSA-N 339.416 4.426 10 50 EICA O=C1S/C(=C\c2ccccc2O)C(=S)N1Cc1ccccc1 1796559 FCVZOFATQHVTGX-GDNBJRDFSA-N 327.430 4.430 10 50 EICA Cc1ccc(C2=NC(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])o3)S2)cc1 439689 VCORTNQGHGFUJV-YFBKQRKCSA-N 340.360 4.114 10 50 EICA COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OC(C)=O 232241 DYAKFUDISYROKZ-UHFFFAOYSA-N 334.375 4.310 10 50 EICA biogenic CCn1ccc2c(-c3c(-c4ccccc4)ncn3CCO)cccc21 65458306 SDHVLROUTXHAIB-UHFFFAOYSA-N 331.419 4.184 10 50 EICA O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O 4248203 UDDPBRRTKIUOBO-CQSZACIVSA-N 338.388 4.038 10 50 EICA Oc1c(Cl)cc(Cl)cc1[C@H]1NN=C(c2ccccc2)S1 2918683 SMUYNLUMXSCYOF-AWEZNQCLSA-N 325.220 4.396 10 50 EICA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 226747449 WPOIVMFGQINIKM-FUHIMQAGSA-N 349.390 4.380 10 50 EICA CCc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 15011039 VJWVREWKTDRZNT-GDNBJRDFSA-N 329.446 4.243 10 50 EICA COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c(OC)c1 5060820 XMKDSPXOFZHOJI-NTEUORMPSA-N 342.778 4.339 10 50 EICA Cc1cc(C)cc(-n2c(C)cc(/C=C3/SC(=O)N(C)C3=O)c2C)c1 1206372 BVMMYTBDKKYXMK-LICLKQGHSA-N 340.448 4.377 10 50 EICA O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1ccccc1O 4248202 UDDPBRRTKIUOBO-AWEZNQCLSA-N 338.388 4.038 10 50 EICA Cc1cc(NC2=NC(=O)/C(=C\c3cccnc3)S2)ccc1Cl 4467819 OCUCGDYXBFHLRY-RIYZIHGNSA-N 329.812 4.126 10 50 EICA Cc1ccccc1/C=C1/SC(=S)N(C(=O)c2ccccc2)C1=O 825235631 YHYWQNASNUFJNT-RVDMUPIBSA-N 339.441 4.037 10 50 EICA Cc1nc2sccn2c1-c1csc(Nc2ccc(N)cc2)n1 89095 HMYHCGVNJAZYSV-UHFFFAOYSA-N 327.438 4.154 10 50 EICA Cc1cccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1 509607 PXMWUIPUYJWFOO-ALGNWURXSA-N 345.427 4.299 10 50 EICA O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)C(F)(F)F 123746 FXDVXIHUTSMGQI-KRWDZBQOSA-N 345.320 4.313 10 50 EICA O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(Cl)cc1 1220159 XGPCUXQHAWJICF-NTEUORMPSA-N 347.848 4.451 10 50 EICA CCn1cc(/C=C/c2nc3ccccc3c(=O)n2C)c2ccccc21 4536174 FFAUHGDNEFRWGZ-OUKQBFOZSA-N 329.403 4.079 10 50 EICA COc1ccc(O)c(CN2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c1 12308166 CXRIZTACARDEEP-LJQANCHMSA-N 340.467 4.094 10 50 EICA CC(C)c1cc2c(c(O)c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@H]1CC2 8681607 QRYRORQUOLYVBU-VLIAUNLRSA-N 332.440 4.316 10 50 EICA biogenic,in-vitro CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc2[nH]ccc2c1 170607594 WDOHSKWXDNVTBX-JXMROGBWSA-N 335.363 4.142 10 50 EICA O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 4807781 FSRNJBKLLKZKNJ-FQEVSTJZSA-N 342.398 4.384 10 50 EICA Cc1cc(C)cc(-n2c(C)cc(C=C3SC(=S)NC3=O)c2C)c1 1857666651 JFNZQSOKUSBKRP-UHFFFAOYSA-N 342.489 4.200 10 50 EICA Oc1ccc(-n2cccn2)cc1CNCc1csc2ccccc12 2325878049 CRMHWDYKCUCHBT-UHFFFAOYSA-N 335.432 4.082 10 50 EICA CCC(=O)N[C@@H](c1ccccc1OC)c1c(O)ccc2ccccc12 245279 KROQTWALYYTXRW-NRFANRHFSA-N 335.403 4.170 10 50 EICA O=C(c1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1 13124709 HQTNORLBPXYIDS-FQEVSTJZSA-N 342.398 4.384 10 50 EICA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 22108468 VSXBIZPZUARKSB-UNOMPAQXSA-N 348.402 4.314 10 50 EICA Nc1ccc2c(c1Oc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O 4819192 CYZBUGZRKIXBDH-UHFFFAOYSA-N 349.773 4.490 10 50 EICA CCCCOc1ccccc1/C=C1/SC(N2CCCCC2)=NC1=O 2313551 SYLOCITZTUCARR-SAPNQHFASA-N 344.480 4.322 10 50 EICA CCN(CC)c1ccc(CN[C@H](C)[C@H](O)c2ccc(F)c(F)c2)cc1 236935418 OXHLUDLXGDOQJA-VLIAUNLRSA-N 348.437 4.023 10 50 EICA CCN1CCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 19635068 KJHQYHCSHFULNP-UHFFFAOYSA-N 332.532 4.125 10 50 EICA CCC(=O)C[C@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O 494681 FYFOQYSCXOKLBW-QGZVFWFLSA-N 340.806 4.196 10 50 EICA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(O)cc1 5017761 MCFSANHAUDJWRS-LCYFTJDESA-N 343.176 4.136 10 50 EICA O=C(CCc1ccccc1F)NCc1ccc(N2CCCCC2)cc1 72446687 QSOIXWGDMSQHCU-UHFFFAOYSA-N 340.442 4.065 10 50 EICA Oc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 19300103 WZYDUILDTXZIHH-UHFFFAOYSA-N 344.458 4.409 10 50 EICA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4619123 AVXVXNKSLRNVSY-UWVAXJGDSA-N 349.390 4.380 10 50 EICA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4619125 AVXVXNKSLRNVSY-HLIPFELVSA-N 349.390 4.380 10 50 EICA COc1ccc(OC)c(C2=C/C(=C/c3ccc(Cl)cc3)C(=O)O2)c1 432572 LXPVBCCALSDTBO-LCYFTJDESA-N 342.778 4.339 10 50 EICA COc1ccc(O)c(CN2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c1 12308167 CXRIZTACARDEEP-IBGZPJMESA-N 340.467 4.094 10 50 EICA O=S(=O)(O)c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1 4416663 PURJGKXXWJKIQR-ISLYRVAYSA-N 328.349 4.208 10 50 EICA in-vitro COc1cccc(N2C(=O)/C(=C/c3cccs3)SC2=S)c1 1220839 JYBPDEYBFJOHHZ-LCYFTJDESA-N 333.459 4.163 10 50 EICA O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc([N+](=O)[O-])cc1 446554 GEYJLHJVFRPYTP-UKTHLTGXSA-N 327.723 4.230 10 50 EICA O=C1OC(c2ccccc2)=C/C1=C/c1ccc(Br)cc1 446566 KCAQUBUBUKQBIR-UVTDQMKNSA-N 327.177 4.430 10 50 EICA CN(C)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1 470082 FPNLTIVVVKMXFB-UHFFFAOYSA-N 340.448 4.289 10 50 EICA CCC(=O)N[C@H](c1ccccc1OC)c1c(O)ccc2ccccc12 245286 KROQTWALYYTXRW-OAQYLSRUSA-N 335.403 4.170 10 50 EICA CCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S 1259954 XEGKDHKVJSUJPK-SAIXKJTDSA-N 331.462 4.005 10 50 EICA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccnc3)c(O)c2n1 19799993 OFMIIQLTLSPRQI-IBGZPJMESA-N 342.402 4.240 10 50 EICA CCCC(=O)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1O 92418 NULFGCQPRNHAOM-INIZCTEOSA-N 344.798 4.193 10 50 EICA O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 224692615 ZJRRXSHPDQPRCB-VKJFTORMSA-N 337.335 4.330 10 50 EICA O=C1c2ccccc2-c2nnc(-c3ccc(Br)cc3)cc21 1382382 QHYRELLXJDJBHO-UHFFFAOYSA-N 337.176 4.118 10 50 EICA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 4309894 VNKSNXSXZRIHGM-STXHMFSFSA-N 349.390 4.380 10 50 EICA O=C1/C(=C\c2ccncc2)SC(=S)N1c1ccc(Cl)cc1 4819170 FMYFKMXVIFKPQQ-UKTHLTGXSA-N 332.837 4.141 10 50 EICA COC(=O)c1ccc(N/N=N\c2cccc(Br)c2)cc1 15919691 MIRQQJZAQPPHFX-UHFFFAOYSA-N 334.173 4.347 10 50 EICA aggregator O=C(c1cccs1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccco1 4292030 ILDYUMFFTSEVHF-OAHLLOKOSA-N 338.388 4.038 10 50 EICA Cc1cccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)c1 3642534 NMXNNBMGMUREIP-UHFFFAOYSA-N 331.375 4.415 10 50 EICA Cc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 13562565 WXQMHOIZSZBDRJ-LGMDPLHJSA-N 339.485 4.439 10 50 EICA O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4714150 SLZXXWORYGGPLE-JJRVBVJISA-N 336.347 4.120 10 50 EICA CCN1C(=O)/C(=C\C=C2\N(C)c3ccccc3C2(C)C)SC1=S 4747211 QFTZFCHXTGZQEA-WFYKWJGLSA-N 344.505 4.062 10 50 EICA CSc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 15011035 XNKNUAJPAOAZRI-ZROIWOOFSA-N 347.486 4.403 10 50 EICA CN(C)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1 469473 WQKWDZFHTXFUOH-UHFFFAOYSA-N 334.419 4.228 10 50 EICA CCc1cn[nH]c1C1CCN(Cc2ccc(N(CC)CC)cc2)CC1 12246333 XITZOPBYGNCWGM-UHFFFAOYSA-N 340.515 4.198 10 50 EICA CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN(C)C)c12 48956 JXUHSUSCLWIKEW-UHFFFAOYSA-N 339.391 4.044 10 50 EICA biogenic,in-vitro C[C@@H](NC(=O)Cc1cccs1)c1ccc(N2CCCCC2)cc1 72117544 BWUKSEHBQJTUFH-OAHLLOKOSA-N 328.481 4.158 10 50 EICA COc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1 1063114 RQTKNVWEMKEBAM-ZROIWOOFSA-N 331.418 4.002 10 50 EICA CCOc1ccc(C2=C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1 5061558 JPIKHZSQNVZBGB-LGMDPLHJSA-N 335.403 4.133 10 50 EICA CCCOC(=O)c1ccc(/N=N\c2ccc(O)c(CC(=O)O)c2)cc1 100014513 DPHOCQNZARWEHS-VXPUYCOJSA-N 342.351 4.002 10 50 EICA in-vitro O=c1c(Oc2ccccc2)c(C(F)(F)F)oc2c(O)c(O)ccc12 5731468 ZXCSDLFJAHLZJC-UHFFFAOYSA-N 338.237 4.015 10 50 EICA COc1cccc(-n2c(CCC(=O)O)ccc2-c2cccs2)c1 94908 NBSYVIIGSUZAOD-UHFFFAOYSA-N 327.405 4.232 10 50 EICA CN(Cc1cccs1)c1ccc(CNC[C@@H]2CCSC2)cc1 824307383 IJHNWRWYWGNCCT-INIZCTEOSA-N 332.538 4.227 10 50 EICA COc1ccccc1NC[C@H](O)Cn1c2ccccc2c2ccccc21 333037 OPDGQHAPKWKCRT-INIZCTEOSA-N 346.430 4.276 10 50 EICA CC1(C)C[C@H]2C[C@@](C)(CN2Cc2cc(-c3cncnc3)ccc2O)C1 102596899 NEBRXRJFRBCCCB-GHTZIAJQSA-N 337.467 4.250 10 50 EICA Cc1cc(C[C@H](C)N[C@@H](C)c2cc(-c3ccccc3)ccc2O)n[nH]1 1875259812 RJOZMPIWBNENJI-HOCLYGCPSA-N 335.451 4.373 10 50 EICA Cc1ccc(NC2=NC(=O)/C(=C/c3cccc(O)c3)S2)cc1Cl 5061571 XQHFJHKVKIMXHA-NVNXTCNLSA-N 344.823 4.436 10 50 EICA Cc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1O 1175125 KIDXHVOOTZTVAF-XNTDXEJSSA-N 341.457 4.102 10 50 EICA CCCN(Cc1ccccc1O)C(=O)c1cc(O)c2ccccc2c1 225402405 YNWVKUPTXTYDSB-UHFFFAOYSA-N 335.403 4.303 10 50 EICA COc1ccc(C2Nc3cccc4cccc(c34)N2)c(OC)c1OC 28679 RFQDZRJJOLMKQZ-UHFFFAOYSA-N 336.391 4.402 10 50 EICA O=C(CCC1CCN(Cc2ccccc2O)CC1)Nc1ccccc1 11838848 IIUIGOUUIZNPBP-UHFFFAOYSA-N 338.451 4.023 10 50 EICA CN(CCc1ccc(F)cc1)Cc1cc(C(C)(C)C)cc(O)c1O 919948456 KJTCNLSFTMCAHQ-UHFFFAOYSA-N 331.431 4.209 10 50 EICA CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C\c1ccc(O)cc1 15015604 AHTLRZBDJXAIGJ-NDENLUEZSA-N 328.371 4.352 10 50 EICA Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2C)cc1 84030 UXUAKVUHRMQMTR-UHFFFAOYSA-N 346.235 4.117 10 50 EICA COc1ccccc1/C=C1/SC(=S)N(C2CCCCC2)C1=O 33368829 XAXOEAIHQDRXOH-RVDMUPIBSA-N 333.478 4.229 10 50 EICA CC(=O)N[C@@H](c1ccccc1Cl)c1c(O)ccc2ccccc12 245381 VXXSIPYMJHBDJD-IBGZPJMESA-N 325.795 4.424 10 50 EICA Oc1ccc(Br)cc1CNc1cccc2cccnc12 463693 HRODNMNKFBNWQE-UHFFFAOYSA-N 329.197 4.315 10 50 EICA O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 13573600 QNYNFZNDSZHXFF-MDWZMJQESA-N 335.837 4.334 10 50 EICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 100312990 MTLQXCZVXIWMHD-QGOAFFKASA-N 349.409 4.232 10 50 EICA CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)SC1=S 5023036 KDONNLHNUFGUFL-LFIBNONCSA-N 342.489 4.315 10 50 EICA CCOc1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1 5475583 ZHLDMMOPBUECBW-GXDHUFHOSA-N 331.418 4.084 10 50 EICA CCCCC[C@H]1C(=O)N2C=C(c3ccccc3)c3ccccc3N2C1=O 1680067 KATBVKFXGKGUFE-SFHVURJKSA-N 346.430 4.376 10 50 EICA in-man O=C(c1cccs1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccco1 4292029 ILDYUMFFTSEVHF-HNNXBMFYSA-N 338.388 4.038 10 50 EICA CC(=O)Oc1cccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c1 119329 ZGXLAEWCZIRLDM-OQLLNIDSSA-N 340.762 4.247 10 50 EICA O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1cccc(O)c1 1209327 ZYCUVTKINOHANK-ZSOIEALJSA-N 347.848 4.451 10 50 EICA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 5046297 OQWBPRXDTIGIJJ-ODLFYWEKSA-N 348.402 4.314 10 50 EICA CCN(CC)c1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 327111 KWVKRFOVZFJOQB-PDGQHHTCSA-N 338.382 4.016 10 50 EICA O=C1/C(=C/c2ccco2)SC(=S)N1CCCc1ccccc1 1135351 VEJIPYJIBUPBRI-QINSGFPZSA-N 329.446 4.114 10 50 EICA Cc1ccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)cc1C 15723673 ODRZKEZNAYYEBF-SXGWCWSVSA-N 342.489 4.200 10 50 EICA C[C@H](Nc1cc(-c2ccccc2F)nc2ccnn12)c1ccccc1O 72430604 ZIVOKEPBRYWITI-ZDUSSCGKSA-N 348.381 4.414 10 50 EICA CCCCN(C)Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 1782047 RDOOISBDYPOMMW-UHFFFAOYSA-N 337.419 4.398 10 50 EICA biogenic O=S(=O)(O)c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1 3846899 RDUJRVXKAIVTDH-ISLYRVAYSA-N 328.349 4.208 10 50 EICA CCCCN(CCCC)c1ccc(/C=C2\SC(=N)NC2=O)cc1 2095120 QPNWEMJEXIILSQ-SSZFMOIBSA-N 331.485 4.232 10 50 EICA O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)c1 169683018 LTMGPJMANGFVQM-KEYYUXOJSA-N 337.335 4.330 10 50 EICA CCOC(=O)c1ccc(-n2c(C)cc(C(=O)C(F)(F)F)c2C)cc1 4054473 BTFQHHGENWERER-UHFFFAOYSA-N 339.313 4.016 10 50 EICA COc1ccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 4860785 UCZAMHAAOWUNNU-RVDMUPIBSA-N 327.430 4.101 10 50 EICA CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cccs1 100025887 NEAYIVUMWOTMPG-NTEUORMPSA-N 347.237 4.317 10 50 EICA CC(C)CN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1O 534578901 JBUIJNZSKDUFEN-OAHLLOKOSA-N 344.430 4.460 10 50 EICA c1ccn2ncc(CNCc3ccc(N4CCCCCC4)cc3)c2c1 2325719915 CVYWYXQGHHDQEA-UHFFFAOYSA-N 334.467 4.005 10 50 EICA O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccc(O)cc1 1216034 XBPVHHCVXSUXFZ-ZROIWOOFSA-N 347.848 4.451 10 50 EICA O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1 4409677 PADQUVZDTGNTLH-MPGHIAIKSA-N 337.335 4.330 10 50 EICA O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)c1 15188320 LTMGPJMANGFVQM-CPUCHLNUSA-N 337.335 4.330 10 50 EICA O=C(O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 16671538 WOKVXSNZKHRNTH-CKEIUWERSA-N 336.347 4.120 10 50 EICA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 12379728 VNKSNXSXZRIHGM-SXGZJXTBSA-N 349.390 4.380 10 50 EICA CCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)SC1=S 1142669 NIJRFDJPFSETBH-QINSGFPZSA-N 334.510 4.144 10 50 EICA COc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)cc1OC 13574019 FJUCRMFQDFNNDZ-LICLKQGHSA-N 336.387 4.302 10 50 EICA Cc1c(Cl)cc(C(C)C)c(O)c1CN1C(=O)c2ccccc2C1=O 106798 FWZNKWVTJQPZMA-UHFFFAOYSA-N 343.810 4.274 10 50 EICA CCOc1ccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 1857524929 KJBKMANARWVXCI-UHFFFAOYSA-N 349.434 4.421 10 50 EICA O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc(Cl)cc1 1158613 RZDDTDPZJURUAP-MDWZMJQESA-N 332.837 4.141 10 50 EICA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(N(C)C)cc1 6533880 OSJQONNGPBTUFA-MOSHPQCFSA-N 348.450 4.088 10 50 EICA CCCCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 5927189 MEHHEVQVSCOIPK-NTCAYCPXSA-N 334.510 4.144 10 50 EICA Cc1cc(C(=O)NC(C)C)ccc1NCc1cccc(Cl)c1O 225512833 NGLOQNPPOLLTAW-UHFFFAOYSA-N 332.831 4.104 10 50 EICA COC(=O)c1ccc([C@@H]2Nc3c(OC)cccc3[C@@H]3C=CC[C@H]32)cc1 13389473 AQXVDBCIBIMVFA-MDZRGWNJSA-N 335.403 4.308 10 50 EICA CCN1C(=O)/C(=C/C=C2\C=CN(CC)c3ccccc32)SC1=S 13482613 OUISGIHZLXBQHG-AJVLGPTGSA-N 342.489 4.188 10 50 EICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccccc1 100225010 GJZWXBMEJWUJJV-HMMYKYKNSA-N 327.387 4.283 10 50 EICA COc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)c(Cl)c1 670423498 IUSAMLVRCVKNNB-FOCLMDBBSA-N 326.761 4.011 10 50 EICA CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3C=CC[C@@H]32)cc1 453918 NPEBQWLSFUFZTE-GJYPPUQNSA-N 349.386 4.137 10 50 EICA Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1C 1208985 UWJFABRXHMSSSV-YBEGLDIGSA-N 341.457 4.415 10 50 EICA O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1 100044649 JYGLAHSAISAEAL-UHFFFAOYSA-N 340.378 4.083 10 50 EICA in-man Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccn3)c(O)c2n1 19843044 OZUXQEGCXXIRJP-FQEVSTJZSA-N 342.402 4.240 10 50 EICA C[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)coc23)C1 19793077 HFRMWZYFFSQPDE-OAHLLOKOSA-N 349.430 4.398 10 50 EICA biogenic CN(C)c1ccc([C@H](c2ccccc2)n2nnc3ccccc32)cc1 5328720 WDDKXKNEUKALBY-NRFANRHFSA-N 328.419 4.135 10 50 EICA CCN(CC)c1ccc(CN[C@@H](C)[C@@H](O)c2ccc(F)c(F)c2)cc1 236931358 OXHLUDLXGDOQJA-VBKZILBWSA-N 348.437 4.023 10 50 EICA CCOc1ccccc1Nc1nc(-c2sc(N)nc2C)cs1 190445 JTZZZZMYFSPIOQ-UHFFFAOYSA-N 332.454 4.300 10 50 EICA COc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 1227593 CYLHQVFXMQSBAC-WJDWOHSUSA-N 341.457 4.409 10 50 EICA C[C@@H](Nc1cc(-c2ccccc2F)nc2ccnn12)c1ccccc1O 72430605 ZIVOKEPBRYWITI-CYBMUJFWSA-N 348.381 4.414 10 50 EICA Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2O)cc1 104509 BALQQOSBLXPMAJ-HXUWFJFHSA-N 330.387 4.472 10 50 EICA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 101164113 GHKHTCDNBJXQBZ-FHSNZYRGSA-N 336.347 4.120 10 50 EICA COc1ccc2sc(/C=C3\Sc4ccccc4N3C)[n+](C)c2c1 247988140 ZOHHUAPDXJNALO-UHFFFAOYSA-N 341.481 4.275 10 50 EICA CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3C=CC[C@H]32)cc1 15836970 NPEBQWLSFUFZTE-MDZRGWNJSA-N 349.386 4.137 10 50 EICA CCN(CC)c1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 315700 ZVSJLDMXGNJPGC-AQTBWJFISA-N 338.382 4.016 10 50 EICA CC[C@H](C)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 6355986 PKZKEIRENKXBOJ-GPILYODUSA-N 331.462 4.005 10 50 EICA O=C(C[C@@H](NC1CCCCC1)c1ccccc1O)NC1CCCCC1 191003 ZVJSLSDHGOHMLR-LJQANCHMSA-N 344.499 4.195 10 50 EICA O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1C1CCCC1 2533353 WDBQMMUXSILDQN-YBEGLDIGSA-N 343.473 4.149 10 50 EICA Cc1c([C@H](C)NCc2ccccc2O)cnn1-c1ccc(F)cc1F 12437389 MXRIODPLGKPHTP-LBPRGKRZSA-N 343.377 4.015 10 50 EICA C[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)coc23)C1 19793078 HFRMWZYFFSQPDE-HNNXBMFYSA-N 349.430 4.398 10 50 EICA biogenic CC(C)CN1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S 1305664 KMWBFXBSRJZTLE-DZZSIBQASA-N 345.489 4.251 10 50 EICA COc1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1 1188051 MUYPLYGHIRAWMV-GDNBJRDFSA-N 327.430 4.101 10 50 EICA COC(=O)c1ccc([C@@H]2Nc3c(OC)cccc3[C@@H]3C=CC[C@@H]32)cc1 4501462 AQXVDBCIBIMVFA-GJYPPUQNSA-N 335.403 4.308 10 50 EICA O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@@H]21 239274655 AMXXQAQJHXLUKO-KOFHJDLBSA-N 340.379 4.103 10 50 EICA CCCN/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CCC 18276710 XIUNRFHFXKLIPX-FOWTUZBSSA-N 342.468 4.073 10 50 EICA COc1ccc(C2=NN[C@@H](c3ccc(Cl)cc3Cl)C2)c(O)c1 457224 IYOMIFKUOWMIJS-CQSZACIVSA-N 337.206 4.146 10 50 EICA CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@H]1c1ccccc1 541891 GPUOZDCQOFBPIR-FQEVSTJZSA-N 330.387 4.243 10 50 EICA CC(=O)c1cccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)c1 470772 ZWADSRDBOIOLQA-UHFFFAOYSA-N 333.387 4.364 10 50 EICA CC(=O)N[C@@H](c1ccc2ccccc2c1)c1ccc2cccnc2c1O 102630 XYWUROGWOKDNIK-FQEVSTJZSA-N 342.398 4.319 10 50 EICA O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1Cc1ccco1 20255304 BJWHIEUOIWFNAE-NVNXTCNLSA-N 340.429 4.162 10 50 EICA CC(C)CN1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S 1305662 KMWBFXBSRJZTLE-PFSWGADMSA-N 345.489 4.251 10 50 EICA Nc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)c2ccccc12 4365602 OOXOSYJUYWJBFW-VHEBQXMUSA-N 327.365 4.084 10 50 EICA COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 4953073 KIWCROIEUJZDSB-XNTDXEJSSA-N 345.420 4.240 10 50 EICA CCOC(=O)c1c(NCc2cc(C)ccc2O)sc2c1CCCC2 348532 HHAARDDPCYEZAO-UHFFFAOYSA-N 345.464 4.430 10 50 EICA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccc1C 4359707 ZLUBHPIIFNSNHJ-WJDWOHSUSA-N 325.799 4.367 10 50 EICA CCOC(=O)c1c(NCc2ccc(C)cc2O)sc2c1CCCC2 521154 ZPUXKOHWHQPGAR-UHFFFAOYSA-N 345.464 4.430 10 50 EICA CCN(CC)c1ccc([C@@H]2NN=C(Cc3ccccc3)S2)cc1 5017843 PWELDLZPOZTROS-LJQANCHMSA-N 325.481 4.424 10 50 EICA Cc1nc(NCc2ccc(N3CCC[C@H](C)C3)cc2)c2cccnc2n1 95391482 TUSKLKBQDPIUDY-HNNXBMFYSA-N 347.466 4.182 10 50 EICA C[C@H](Nc1ccc(Br)cn1)c1cc(Cl)ccc1O 20290369 DMNOHUCRAOCAAX-QMMMGPOBSA-N 327.609 4.376 10 50 EICA O=S(=O)(Nc1ccc(O)c2ccccc12)c1cccc2ccccc12 575946 JLCBNJAVTYPOHV-UHFFFAOYSA-N 349.411 4.499 10 50 EICA Cc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4151773 AJIUORFBXKPJOU-UHFFFAOYSA-N 341.366 4.023 10 50 EICA O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 4807783 FSRNJBKLLKZKNJ-HXUWFJFHSA-N 342.398 4.384 10 50 EICA Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1 307535 QLJGQLPHQVQVJE-UHFFFAOYSA-N 326.450 4.440 10 50 EICA aggregator O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccccc1[N+](=O)[O-] 446526 UFSSMEJXRJCIQZ-UKTHLTGXSA-N 327.723 4.230 10 50 EICA CCN(CC)c1ccc(C(O)c2ccc(N(CC)CC)cc2)cc1 1847731 WCIQBUVXZZYFJP-UHFFFAOYSA-N 326.484 4.461 10 50 EICA in-vitro O=C1OC(c2ccccc2)=C/C1=C\c1ccccc1Br 15016343 MXOVCLIXOPSMQD-GXDHUFHOSA-N 327.177 4.430 10 50 EICA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cccc(F)c1 12410897 GTSUSDIPOSBYOE-ATVHPVEESA-N 341.361 4.464 10 50 EICA Cc1c([C@@H](C)NCc2ccccc2O)cnn1-c1ccc(F)cc1F 12437388 MXRIODPLGKPHTP-GFCCVEGCSA-N 343.377 4.015 10 50 EICA CCC[B-]1(CCC)N(C)C(=O)[n+]2ccccc2N1Cc1ccccc1 195824922 LSUMGYAJRXXFGM-UHFFFAOYSA-N 337.276 4.156 10 50 EICA Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(Cl)cc1 38282 VXQIPRWKLACSKZ-UHFFFAOYSA-N 330.859 4.416 10 50 EICA CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S 5024126 WDQMCYRBECGYCS-LFIBNONCSA-N 341.457 4.097 10 50 EICA CCC1=C2CCCCC2=C(C=N)C2=S=C(c3ccccc3)C(=O)N21 334157908 NNBIJDHIMOTXLT-UHFFFAOYSA-N 336.460 4.110 10 50 EICA CCn1c(/C=C/c2c(C)n(C)c3ccccc23)nc2ccccc2c1=O 4003262 YAQDUTBXTZQHJG-BUHFOSPRSA-N 343.430 4.387 10 50 EICA COc1ccc(/C=C2\SC(c3ccc(Cl)cc3)=NC2=O)cc1 64859559 BYPSEBXZQCBFIP-GDNBJRDFSA-N 329.808 4.410 10 50 EICA in-vitro Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccnc3)c(O)c2n1 19799995 OFMIIQLTLSPRQI-LJQANCHMSA-N 342.402 4.240 10 50 EICA Cc1cc(C)cc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)c1 13785557 JFNZQSOKUSBKRP-SXGWCWSVSA-N 342.489 4.200 10 50 EICA CN(C)c1ccc(CNc2ncnc3c2oc2ccccc23)cc1F 170600302 UKAJHGKTASBOGU-UHFFFAOYSA-N 336.370 4.193 10 50 EICA CCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O 102711 GKQPLNYKUJGLNH-QGZVFWFLSA-N 340.810 4.209 10 50 EICA biogenic CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)SC1=S 5023073 RJWGEPNCLMQGOF-XNTDXEJSSA-N 329.446 4.070 10 50 EICA CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N 5139018 NJLLALPCADBTIS-UHFFFAOYSA-N 334.440 4.366 10 50 EICA in-vitro Cc1cc(CC(=O)N2CCC[C@H]2c2ccc[nH]2)c(C)n1-c1ccccc1 821784889 CVKPTWWOQPNIQX-NRFANRHFSA-N 347.462 4.328 10 50 EICA Cc1cc(C[C@@H](C)N[C@H](C)c2cc(-c3ccccc3)ccc2O)n[nH]1 1875259810 RJOZMPIWBNENJI-GDBMZVCRSA-N 335.451 4.373 10 50 EICA O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1 169682597 PADQUVZDTGNTLH-VKJFTORMSA-N 337.335 4.330 10 50 EICA CCCN(Cc1cc(-c2nc(C)cnc2C)ccc1O)CC1CC1 14884222 XHZNPULSSNSNAM-UHFFFAOYSA-N 325.456 4.088 10 50 EICA O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)C(F)(F)F 123748 FXDVXIHUTSMGQI-QGZVFWFLSA-N 345.320 4.313 10 50 EICA CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 16872842 QCNQZKOJEAOELK-AQTBWJFISA-N 328.371 4.352 10 50 EICA O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4116903 LHSUTBGPVJHKPC-DAYGRLMNSA-N 336.347 4.120 10 50 EICA in-vitro CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O 102704 GKQPLNYKUJGLNH-KRWDZBQOSA-N 340.810 4.209 10 50 EICA biogenic COc1cc(Br)cc(CNc2ccc(C)c(C)c2)c1O 2383666 DXSSNTYWUHJWAQ-UHFFFAOYSA-N 336.229 4.392 10 50 EICA O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 13476484 OZOSVBVITYOLAW-GXDHUFHOSA-N 342.401 4.001 10 50 EICA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 148558363 LHSUTBGPVJHKPC-IIDMSEBBSA-N 336.347 4.120 10 50 EICA O=[N+]([O-])c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)cc1 4714162 YMVUKSQPEIRBPV-ZQIUZPCESA-N 337.335 4.330 10 50 EICA O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2c3c(cc4ccccc24)[C@H]2C=CC[C@@H]2CN31 239347292 MQUABYFVEIZLIJ-DFXCQZAJSA-N 343.426 4.446 10 50 EICA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccn3)c(O)c2n1 19843042 OZUXQEGCXXIRJP-HXUWFJFHSA-N 342.402 4.240 10 50 EICA COc1cc(OC)c(C2Nc3cccc4cccc(c34)N2)c(OC)c1 232253 VLBQWFZKQNEMRT-UHFFFAOYSA-N 336.391 4.402 10 50 EICA CCCCC(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 2841252 SFSAUTWTKUGUFI-UHFFFAOYSA-N 326.484 4.245 10 50 EICA O=C(O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4635320 WOKVXSNZKHRNTH-JJRVBVJISA-N 336.347 4.120 10 50 EICA Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)cc1C 15218825 LBILVRNXTYBUGB-SXGWCWSVSA-N 326.421 4.035 10 50 EICA Cc1cc(C=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 333943 HIHAGLHIENBLBC-UHFFFAOYSA-N 337.335 4.002 10 50 EICA CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@@H]1c1ccccc1 541890 GPUOZDCQOFBPIR-HXUWFJFHSA-N 330.387 4.243 10 50 EICA Nc1c(Cl)cc2c(c1Oc1ccccc1)C(=O)c1ccccc1C2=O 4030873 FHQOKPLYBWEGCB-UHFFFAOYSA-N 349.773 4.490 10 50 EICA Cc1ccc(-n2c(C)cc(C(=S)N3CCOCC3)c2C)cc1Cl 196751 ZCEAMAGOOGHIPP-UHFFFAOYSA-N 348.899 4.064 10 50 EICA Cc1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c1C 1002982 ALCPKHYHYLLSML-YBEGLDIGSA-N 341.457 4.415 10 50 EICA O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 4859594 PGPYRHJVANSWEO-OGHNNQOOSA-N 336.347 4.120 10 50 EICA Oc1c(Cl)cc(Cl)cc1[C@@H]1NCCc2c1[nH]c1ccccc21 19301131 VGVLRBZRXUPPKU-HNNXBMFYSA-N 333.218 4.415 10 50 EICA Cc1ccc(C(=O)N2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2049423989 SSMJYKLXOPUOKX-UHFFFAOYSA-N 339.441 4.037 10 50 EICA COc1cc(Br)cc(CNc2ccc(F)cc2F)c1O 135851 ZNRJPKUGUBBVHS-UHFFFAOYSA-N 344.155 4.054 10 50 EICA CCCOc1ccccc1/C=C1/SC(N2CCC(C)CC2)=NC1=O 2811860 LATXBSXPJNWJMM-GHRIWEEISA-N 344.480 4.178 10 50 EICA O=C(Nc1cccc(N2CCCC2)c1)c1cccc(Br)c1 382003 CQWBFWKCUCSLDZ-UHFFFAOYSA-N 345.240 4.302 10 50 EICA CCCCOc1ccc(CN[C@H](C)c2cc(OC)ccc2O)cc1 328595467 VUXMRMYNAPRWSM-OAHLLOKOSA-N 329.440 4.431 10 50 EICA CC(=O)N[C@H](c1ccccc1Cl)c1c(O)ccc2ccccc12 245385 VXXSIPYMJHBDJD-LJQANCHMSA-N 325.795 4.424 10 50 EICA CC[C@@H](C)N1C(=O)/C(=C/C=C/c2ccccc2OC)SC1=S 4865470 JZGTZMDPRORTDB-YWTOJRBNSA-N 333.478 4.251 10 50 EICA Cc1cccc(N2CCN(Cc3c(O)ccc4ccccc34)CC2)c1C 23281872 FKCRTFDHNMBEOQ-UHFFFAOYSA-N 346.474 4.484 10 50 EICA CCOc1ccc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1OC 16213169 KMJSIRISTGESPV-BOPFTXTBSA-N 336.387 4.384 10 50 EICA Cc1ccn2c(C(=O)C(=O)c3ccccc3)c(-c3ccccc3)nc2c1 1848349745 AHNNWZOVCRQAAH-UHFFFAOYSA-N 340.382 4.375 10 50 EICA O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1C1CCCCC1 1133218 HMZGZVCPHQMBIF-GXDHUFHOSA-N 343.477 4.097 10 50 EICA CC1=NN(c2ccccc2)C(=S)C1=CNc1ccc([N+](=O)[O-])cc1 2049286322 UMHWQFMCMLISSD-UHFFFAOYSA-N 338.392 4.114 10 50 EICA CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(N(C)C)cc1 613369 BACQLXMPLJGETO-LJQANCHMSA-N 341.842 4.104 10 50 EICA CCCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)SC1=S 100564195 HTUJYEJCFSALEG-CCEZHUSRSA-N 330.478 4.022 10 50 EICA CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O 4457076 JKUYRBUUTWOODH-HKJJFUAXSA-N 332.469 4.368 10 50 EICA CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 4508714 KSVLEMPZIMYKPK-MDWZMJQESA-N 335.837 4.431 10 50 EICA CCOC(=O)c1sc2nc3c(cc2c1N)C[C@@H](C(C)(C)C)CC3 367154 UZGCAMIQNKEMFP-NSHDSACASA-N 332.469 4.206 10 50 EICA O=C(c1cccs1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 498931 YOCHRCSMBNNZQG-QGZVFWFLSA-N 348.427 4.445 10 50 EICA CCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12 446482 WIIVTVUNBAATAJ-JOCHJYFZSA-N 348.446 4.227 10 50 EICA Cc1cccc(C)c1N1C(=O)/C(=C/c2cccnc2)SC1=S 1135939 SOSWNOOHUORSRB-ZROIWOOFSA-N 326.446 4.104 10 50 EICA O=[N+]([O-])c1cccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)c1 4623230 INAHPGJHQHPLFB-UHFFFAOYSA-N 332.319 4.103 10 50 EICA CCOc1ccc(N2COc3ccc(Br)cc3C2)cc1 111234 KADIXNPUAVIANP-UHFFFAOYSA-N 334.213 4.204 10 50 EICA Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1cccc(Cl)c1 2364480 ODDXHLLFCMFKSX-VGOFMYFVSA-N 332.812 4.071 10 50 EICA Cc1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1 285238 LGNHBCQKXYJIBD-UHFFFAOYSA-N 344.370 4.170 10 50 EICA S=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCOCC1 547250 WOHXXLNZHJZIFM-UHFFFAOYSA-N 342.247 4.261 10 50 EICA Cc1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 100942900 RAHHNLDXZDVIQD-PTNGSMBKSA-N 345.324 4.256 10 50 EICA Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1C 1151742 VIMIRLCWKDUOGJ-XNTDXEJSSA-N 328.462 4.048 10 50 EICA Cc1ccsc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 15015228 DTSOGIGLPLKTGH-ZROIWOOFSA-N 331.487 4.458 10 50 EICA O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc(Cl)cc1 8642622 MDVWZFYISVFTBU-LCYFTJDESA-N 332.837 4.141 10 50 EICA Cc1ccccc1N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 1220087 PPISYMCHLMMWJW-GDNBJRDFSA-N 327.430 4.106 10 50 EICA Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1C 4660869 LSXVBXDJYQKTSO-UHFFFAOYSA-N 341.432 4.271 10 50 EICA COc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1 13590081 NGYONQMXGOEQBY-LFIBNONCSA-N 341.457 4.409 10 50 EICA CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1C[C@H]2OC3=O 100017905 XUSYGBPHQBWGAD-ARGWCVDVSA-N 330.424 4.287 10 50 EICA biogenic,in-vitro Cc1cc(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)c(C)n1-c1ccccc1 821784890 CVKPTWWOQPNIQX-OAQYLSRUSA-N 347.462 4.328 10 50 EICA Cc1cc(C[C@@H](C)N[C@@H](C)c2cc(-c3ccccc3)ccc2O)n[nH]1 1875259813 RJOZMPIWBNENJI-ZBFHGGJFSA-N 335.451 4.373 10 50 EICA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 12379718 AVXVXNKSLRNVSY-MBOZVWFJSA-N 349.390 4.380 10 50 EICA COc1ccc(C2=C/C(=C/c3ccccc3Cl)C(=O)O2)c(OC)c1 199979 UXHXMYHUCSIVJR-LCYFTJDESA-N 342.778 4.339 10 50 EICA CCCC[C@@H]1CN(Cc2cccc(OC)c2O)Cc2ccccc2O1 11871546 ZEYGAZCZRLTUGQ-GOSISDBHSA-N 341.451 4.354 10 50 EICA COc1ccc(-n2cnc3cc(NCc4ccccc4O)ccc32)cc1 34532 ZGHBPZSDEAOJQX-UHFFFAOYSA-N 345.402 4.352 10 50 EICA CNc1ccc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O 4521757 TVBNRFCUTVWHQB-UHFFFAOYSA-N 328.371 4.247 10 50 EICA Cc1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1 13800539 GHEYFNKLSKVAKS-GDNBJRDFSA-N 327.430 4.106 10 50 EICA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1cccs1 432477 VGCCSWWTJFPQGV-FLIBITNWSA-N 333.206 4.492 10 50 EICA CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@H]1CC2 1653612 QRYRORQUOLYVBU-JLTOFOAXSA-N 332.440 4.316 10 50 EICA endogenous,world CC[C@@H]1CCCCN1Cc1cc(-c2nc(C)cnc2C)ccc1O 11881551 FODYTSYRVHIWNM-GOSISDBHSA-N 325.456 4.231 10 50 EICA O=C(O)CCc1ccc(-c2cccs2)n1CCc1ccccc1 470481 DHBAWOOZJVXOPU-UHFFFAOYSA-N 325.433 4.477 10 50 EICA Cc1cc(C(=O)N2CCC[C@H]2c2ccccn2)c(C)n1-c1ccccc1 77456994 LMMAQSJALQIUQN-NRFANRHFSA-N 345.446 4.466 10 50 EICA CCCN(Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1Cl 775610306 NPMYDRPZODHJIV-GOSISDBHSA-N 337.822 4.130 10 50 EICA O=C(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccccc1O 4867383 MXARHCNPZVFDSB-KRWDZBQOSA-N 348.427 4.445 10 50 EICA CCc1c(C)c2cc(Cl)c(O)c(CN3CCC[C@H](C)C3)c2oc1=O 20362799 IOJVXSUWACTTBY-NSHDSACASA-N 349.858 4.255 10 50 EICA CC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1 199904 IHJYIECEBSNOJT-UHFFFAOYSA-N 348.402 4.120 10 50 EICA COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2O)cc1 183495 SCOCCPOJFVHDMP-HXUWFJFHSA-N 346.386 4.172 10 50 EICA O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc2c(c1)OCO2 5060914 DQBVDVBMEPIWDC-NTUHNPAUSA-N 326.735 4.050 10 50 EICA COc1cc([N+](=O)[O-])cc2c1N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21 169682998 PSPLPPYNGLDIRF-SCFUHWHPSA-N 326.396 4.414 10 50 EICA CC(C)Sc1cccc(Cl)c1/C=C1\SC(=S)NC1=O 170605434 QVPSKSNOWYSOAC-WDZFZDKYSA-N 329.899 4.329 10 50 EICA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 169682786 GHKHTCDNBJXQBZ-VFVRVIDISA-N 336.347 4.120 10 50 EICA COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O 15015237 BYPKVIFGBMNLCQ-GDNBJRDFSA-N 345.420 4.240 10 50 EICA CCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)SC1=S 975330 PCUZLFKYXGHEED-GDNBJRDFSA-N 329.446 4.070 10 50 EICA CCN(CC)c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1 12358829 OORQUAGUOJMPCS-UHFFFAOYSA-N 333.413 4.195 10 50 EICA Cc1ccc(C)c(N2CCN(Cc3c(O)ccc4ccccc34)CC2)c1 23281729 FIGFPELBCQLNQH-UHFFFAOYSA-N 346.474 4.484 10 50 EICA FC(F)(F)Cn1c(-c2ccccc2)cnc1SCc1ccno1 748031735 NPBJFHCORQPWHH-UHFFFAOYSA-N 339.342 4.393 10 50 EICA O=C(O)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc1 4223043 DQSILZGBKAYAAI-ZQIUZPCESA-N 327.330 4.490 10 50 EICA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3ccccc3O)C2)cc1 12209167 CUACFPHCWCCSRJ-QGZVFWFLSA-N 341.476 4.209 10 50 EICA Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1cccc(Cl)c1 1210629 UPOGZXABQLMYAM-VGOFMYFVSA-N 348.880 4.236 10 50 EICA CCC(=O)N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1O 446233 AWCFIQDSTVKBNT-GOSISDBHSA-N 340.810 4.209 10 50 EICA biogenic COc1ccc([C@H](NC(=O)C(C)C)c2c(O)ccc3ccccc23)cc1 446324 PVVXKVZDFCYHSG-NRFANRHFSA-N 349.430 4.416 10 50 EICA Oc1c(CN2CCCC2)cc(COCc2ccccc2)c2cccnc12 23212095 LTGLGIQQZXSLLF-UHFFFAOYSA-N 348.446 4.253 10 50 EICA in-vitro Cc1cc2c(c(C)c1Cl)CN(c1ccc3c(c1)OCCO3)CO2 6785871 PHFUDUQMHRMFSC-UHFFFAOYSA-N 331.799 4.085 10 50 EICA Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(O)cc2)c1C 472474 FVMKEDCKEZVROI-UHFFFAOYSA-N 333.453 4.107 10 50 EICA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNc1ccc(C)cc1C 5009765 QLMPKRBRGYKLGZ-UNOMPAQXSA-N 348.450 4.143 10 50 EICA CCCCn1c(NCc2ccc(OC)cc2O)nc2ccccc21 13425494 FVBHLMXTIXVUJE-UHFFFAOYSA-N 325.412 4.163 10 50 EICA O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 4697092 ZJRRXSHPDQPRCB-MPGHIAIKSA-N 337.335 4.330 10 50 EICA CN(C)c1ccc2sc(SCC(=O)c3ccccc3)nc2c1 85788 QEIKVHQFQRSVMF-UHFFFAOYSA-N 328.462 4.337 10 50 EICA CCc1cc2c(=O)c(-c3ccccc3)c(C)oc2c(CN(C)C)c1O 396040 YDARMKXGMVUJBZ-UHFFFAOYSA-N 337.419 4.098 10 50 EICA O=C1/C(=C\c2cccs2)SC(=S)N1CCc1ccccc1 6111560 LAEQRWPPVPGVRK-SDNWHVSQSA-N 331.487 4.192 10 50 EICA CCCC[C@H]1CN(Cc2cccc(OC)c2O)Cc2ccccc2O1 11871548 ZEYGAZCZRLTUGQ-SFHVURJKSA-N 341.451 4.354 10 50 EICA Oc1ccccc1CN1CCC(c2[nH]ncc2Cc2ccccc2)CC1 12183267 HMNSOCXQDUEGLY-UHFFFAOYSA-N 347.462 4.086 10 50 EICA COc1cccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)c1 1806705 MYGGONYAHOGZHX-ZROIWOOFSA-N 331.418 4.002 10 50 EICA COC(=O)CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S 5010054 JMFUIAZISDVFJU-WYMLVPIESA-N 349.477 4.257 10 50 EICA O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 1216391 QNYNFZNDSZHXFF-JYRVWZFOSA-N 335.837 4.334 10 50 EICA O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(Cl)cc1 31091173 WUOWBUFDWYZGRK-UHFFFAOYSA-N 329.831 4.262 10 50 EICA O=C1/C(=C\c2cccnc2)SC(=S)N1c1cccc(Cl)c1 4477963 KOGFOOUMABYCIX-NTUHNPAUSA-N 332.837 4.141 10 50 EICA C/C(O)=C(\N=N\c1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 100044913 QGNDAXYFYSPDKJ-ZIWPDZPSSA-N 340.339 4.415 10 50 EICA Cc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 2958922 ZPIIJSATMSNVMA-LFIBNONCSA-N 325.458 4.396 10 50 EICA COc1ccc(-c2csc(Nc3ccc(N)cc3)n2)cc1OC 3671313 SUMOHGXLIMKFPT-UHFFFAOYSA-N 327.409 4.153 10 50 EICA CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1 5046769 PFTAEYZAOJKFFR-SXGWCWSVSA-N 326.783 4.160 10 50 EICA COc1ccc(-c2ccc3c(c2)c2c(n3C)C(=O)CCC2)cc1OC 1506423041 BYVSNRVJIDJPAK-UHFFFAOYSA-N 335.403 4.382 10 50 EICA O=C(c1ccccc1)c1ccccc1Nc1nc(Cl)nc(Cl)n1 301168 SQFCGNZDQMTPSQ-UHFFFAOYSA-N 345.189 4.153 10 50 EICA biogenic CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(N(C)C)cc1 613370 BACQLXMPLJGETO-IBGZPJMESA-N 341.842 4.104 10 50 EICA COc1cccc(-c2ccc(O)c(CNCCC3=CCCCC3)c2)n1 299798982 WQPMNFKFWNXBNG-UHFFFAOYSA-N 338.451 4.443 10 50 EICA CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3C=CC[C@@H]32)cc1 4123701 NPEBQWLSFUFZTE-BXWFABGCSA-N 349.386 4.137 10 50 EICA O=C1/C(=C/c2ccccc2Cl)SC(=S)N1Cc1ccco1 13942647 OUXUMLLSTAUKEE-JYRVWZFOSA-N 335.837 4.334 10 50 EICA CC(C)CCOC(=O)c1ccc2c3c(onc13)-c1ccccc1C2=O 262411 SNAPMRRAECSYHS-UHFFFAOYSA-N 335.359 4.242 10 50 EICA CC1=Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 613982 BKIZBQWFEVCKTJ-UHFFFAOYSA-N 334.404 4.273 10 50 EICA CCCCOc1ccc(/C=C2\SC(=S)N(CCC)C2=O)cc1 16115413 RLDLFFLYGGPQTI-QINSGFPZSA-N 335.494 4.477 10 50 EICA COc1cc([N+](=O)[O-])cc2c1N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@@H]21 230089369 PSPLPPYNGLDIRF-LJGDNWOOSA-N 326.396 4.414 10 50 EICA CCCCN1CCCc2cc(CNCCCN(CC)CC)ccc21 32919776 YWPRAKNWNJNTJD-UHFFFAOYSA-N 331.548 4.061 10 50 EICA O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 197872 SLZXXWORYGGPLE-JKIFEVAISA-N 336.347 4.120 10 50 EICA CC(C)(C)C(=O)C[C@@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 100368437 HTHXVNNUTNHMIL-KRWDZBQOSA-N 334.415 4.471 10 50 EICA O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1C1CCCCC1 1292830 NHEVVFUDOKANCZ-GXDHUFHOSA-N 348.449 4.129 10 50 EICA COc1ccc(-n2c(C)cc(C(=O)NC3CCCCC3)c2C)cc1 1061624 JRUPSUHGNBVOBV-UHFFFAOYSA-N 326.440 4.165 10 50 EICA COc1ccc(CN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 1174842 USEXEWMDMKVXSK-WJDWOHSUSA-N 341.457 4.097 10 50 EICA O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 13562259 ZJRRXSHPDQPRCB-RKVPGOIHSA-N 337.335 4.330 10 50 EICA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 207207 LBQQJRMADSRJCJ-UHFFFAOYSA-N 339.844 4.144 10 50 EICA S=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCOCC1 189858 IESKYNVLWYKSKO-UHFFFAOYSA-N 342.247 4.261 10 50 EICA Oc1ccc(-c2cncnc2)cc1CN1CC=C(c2ccccc2)CC1 14972627 AVPWLDFJLBGAQX-UHFFFAOYSA-N 343.430 4.139 10 50 EICA CN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S 1013935 FLVYDMJWDZXDFE-JYRVWZFOSA-N 335.837 4.431 10 50 EICA O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2c3c(cc4ccccc24)[C@@H]2C=CC[C@H]2CN31 169684207 MQUABYFVEIZLIJ-VKZZMKFVSA-N 343.426 4.446 10 50 EICA Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccccc2)cc1 298324 PTNJIBBNLNNYSL-UHFFFAOYSA-N 333.387 4.134 10 50 EICA CCC(=O)N[C@@H](c1ccc(OC)cc1)c1c(O)ccc2ccccc12 2870038 ULEVRJUAJNPONO-NRFANRHFSA-N 335.403 4.170 10 50 EICA CCCC[C@H](CC)CN1C(=O)/C(=C/c2cccnc2)SC1=S 2302243 POKVGKJDASKTQX-OJNRTJSBSA-N 334.510 4.499 10 50 EICA O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccc(Cl)cc1 13839882 XGPCUXQHAWJICF-ZROIWOOFSA-N 347.848 4.451 10 50 EICA COc1ccc(CN2C(=O)/C(=C/[C@@H]3CC=CCC3)SC2=S)cc1 1480100 LDYXUOBVSLNBNF-YYTPVVGHSA-N 345.489 4.296 10 50 EICA CC(C)CC(=O)N[C@H](c1ccccc1)c1ccc2cccnc2c1O 92389 UECHRCZFFNFJCG-LJQANCHMSA-N 334.419 4.192 10 50 EICA Cc1ccccc1-n1c(C)cc(C(=O)Nc2scnc2C)c1C 225475764 CDJWLLDWCQABPZ-UHFFFAOYSA-N 325.437 4.420 10 50 EICA CCCCn1c(C)c2c(c1C)C=CC(=C1SC(=S)NC1=O)C=C2 685944490 RPMNVHMGJKVTQR-UHFFFAOYSA-N 344.505 4.347 10 50 EICA c1cc(N2CCCC2)ccc1CNc1nnc(CC2CCCC2)o1 1324980111 UZPLGRXPDHPKHD-UHFFFAOYSA-N 326.444 4.015 10 50 EICA CC(C)N1C[C@H](c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CC1=O 20109932 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4.477 10 50 EICA COc1cc(OC)cc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)c1 4686773 BTFURYCOOCNAFW-UHFFFAOYSA-N 347.374 4.212 10 50 EICA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 226747465 WPOIVMFGQINIKM-MBOZVWFJSA-N 349.390 4.380 10 50 EICA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 4982638 BREXCJZPEUHTIW-MOSHPQCFSA-N 333.435 4.176 10 50 EICA CCCNCc1c(O)c(CC)cc2c(-c3ccccc3)cc(=O)oc12 822959971 QTQQJZMURWCFFH-UHFFFAOYSA-N 337.419 4.228 10 50 EICA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1 96822627 KEFIFWAERGWKCH-PGMHBOJBSA-N 345.446 4.483 10 50 EICA Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(=O)O)cc2)cc1 4151197 NXNMRMWZQDVZGA-UHFFFAOYSA-N 349.386 4.168 10 50 EICA CC1=NN(c2ccccc2)C(=O)/C1=C1\C=C(N2CCCCC2)CCC1 685944609 PXEBGKVKJAKTHN-JZJYNLBNSA-N 335.451 4.259 10 50 EICA Oc1ccccc1CNc1nnc(SCc2ccc(F)cc2)s1 407515 RFASZKWWQUIDBR-UHFFFAOYSA-N 347.440 4.287 10 50 EICA Oc1ccc(-c2ncccn2)cc1CN1CCC(c2ccccc2)CC1 12279460 VGHNTNXENJLXEU-UHFFFAOYSA-N 345.446 4.229 10 50 EICA Cc1cccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)c1C 1208940 CPGQCJQJTTUUSM-YBEGLDIGSA-N 341.457 4.415 10 50 EICA CC(=O)Oc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1 446494 SKZBGNMWVSVHQY-XNTDXEJSSA-N 340.762 4.247 10 50 EICA COC(=O)c1ccc([C@@H]2Nc3c(OC)cccc3[C@H]3C=CC[C@H]32)cc1 4151363 AQXVDBCIBIMVFA-FCEWJHQRSA-N 335.403 4.308 10 50 EICA O=C1/C(=C\c2ccccc2)SC(=S)N1CCc1ccccc1 5736552 OXUMWMCJBWOBKY-DTQAZKPQSA-N 325.458 4.131 10 50 EICA O=[N+]([O-])c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)cc1 13574899 YMVUKSQPEIRBPV-CPUCHLNUSA-N 337.335 4.330 10 50 EICA CCC(=O)N[C@H](c1ccc(OC)cc1)c1c(O)ccc2ccccc12 446256 ULEVRJUAJNPONO-OAQYLSRUSA-N 335.403 4.170 10 50 EICA Nc1c(/N=N/c2ccccc2)cc(S(=O)(=O)O)c2ccccc12 4366985 NVHYKPCSIVPAAM-VHEBQXMUSA-N 327.365 4.084 10 50 EICA COc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 4623245 WRLMEUSNEWAHEF-UHFFFAOYSA-N 347.374 4.115 10 50 EICA COc1ccc(N2C(=O)/C(=C\c3sccc3C)SC2=S)cc1 1149595 PBMPWNPEIFYUJX-NTEUORMPSA-N 347.486 4.471 10 50 EICA Cc1ccsc1CN(Cc1ccccn1)Cc1cccc(F)c1O 55371526 FPHVFUHHVNNCHJ-UHFFFAOYSA-N 342.439 4.499 10 50 EICA COc1ccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)cc1OC 16248040 QVRKYVYXPLTMGG-MHWRWJLKSA-N 336.387 4.302 10 50 EICA COCCCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 2682698 FANOQXHAOLEVFV-VBKFSLOCSA-N 343.473 4.078 10 50 EICA CCOc1cccc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)c1O 14978106 QIYHVJLTZJMTPI-GOSISDBHSA-N 344.430 4.007 10 50 EICA CC(C)CN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 5497840 UVGUWKMUKNEOOT-WUXMJOGZSA-N 329.849 4.336 10 50 EICA Cc1cc(C)c([C@H](C)NC2CCC(O)(c3ccccc3)CC2)c(O)c1 252488665 IWLVGIUFTUNZNN-QXAHSBQVSA-N 339.479 4.490 10 50 EICA CCOc1cccc(CN2CCn3cccc3[C@@H]2c2ccccc2)c1O 768423509 GFJNBLDTKJKYEO-NRFANRHFSA-N 348.446 4.198 10 50 EICA CC(C)c1cc2c(c(O)c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 8681606 QRYRORQUOLYVBU-XOBRGWDASA-N 332.440 4.316 10 50 EICA biogenic,in-vitro O=C1/C(=C/c2ccncc2)SC(=S)N1c1cccc(Cl)c1 1159409 NTVGFVKYIHYARN-JYRVWZFOSA-N 332.837 4.141 10 50 EICA CN(C)c1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1 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COc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C 15658735 BQXDCFHONLNQGF-WJDWOHSUSA-N 326.783 4.155 10 50 EICA CCOc1cccc(CN2CCn3cccc3[C@H]2c2ccccc2)c1O 768423510 GFJNBLDTKJKYEO-OAQYLSRUSA-N 348.446 4.198 10 50 EICA Cc1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1C 1002942 MSXSRPAOTCXJRI-YBEGLDIGSA-N 341.457 4.415 10 50 EICA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccc(F)cc1 13552890 DRHNXICKUVGFIG-ZROIWOOFSA-N 333.384 4.371 10 50 EICA COc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1OC 1422154 QDDGPYQNXXWSAC-UHFFFAOYSA-N 347.374 4.212 10 50 EICA Cc1nc2sc(C(=O)OCc3ccccc3)c(N)c2c(C)c1C 93936 ZMPKSWORERUJFT-UHFFFAOYSA-N 326.421 4.161 10 50 EICA C[C@H](c1ccncc1)N(C)C1CCN(c2ccc3c(c2)CCC3)CC1 952971047 UNLRMWCHJGQVLT-QGZVFWFLSA-N 335.495 4.232 10 50 EICA COc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O 75987 IZGKPJDRTILMOI-UHFFFAOYSA-N 343.382 4.082 10 50 EICA CCCC(=O)N[C@H](c1cccs1)c1ccc2cccnc2c1O 2470668 HQMZBXRQASJEMD-KRWDZBQOSA-N 326.421 4.008 10 50 EICA Oc1ccccc1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71750740 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Cc1cccc(N/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1 4713670 UHXKPOSVETXSEG-RVDMUPIBSA-N 332.494 4.441 10 50 EICA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 5283598 WPOIVMFGQINIKM-HLIPFELVSA-N 349.390 4.380 10 50 EICA Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 3899352 YYVSLZVCWAIXJG-UHFFFAOYSA-N 341.366 4.023 10 50 EICA Cc1cc(C)c([C@@H](C)NC2CCC(O)(c3ccccc3)CC2)c(O)c1 252488664 IWLVGIUFTUNZNN-BWDFOLQRSA-N 339.479 4.490 10 50 EICA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 101164114 GHKHTCDNBJXQBZ-VBHSOAQHSA-N 336.347 4.120 10 50 EICA COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c(OC)c1 342407 LXQFANHJSZJDED-YVLHZVERSA-N 339.416 4.073 10 50 EICA CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1ccc([N+](=O)[O-])cc1 100366758 UMHWQFMCMLISSD-LFIBNONCSA-N 338.392 4.114 10 50 EICA CC[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 727734675 RINPIBGHFPRQGH-INIZCTEOSA-N 326.440 4.117 10 50 EICA CCN(CC)c1ccc(/C=C2/SC(=S)N(C(C)C)C2=O)cc1 1192040 XURJRYMLEFDDCJ-RVDMUPIBSA-N 334.510 4.142 10 50 EICA Cc1ccc([C@@H](CC(=O)C(C)C)C2C(=O)c3ccccc3C2=O)cc1 100807024 IULKRYUDDGCDFZ-GOSISDBHSA-N 334.415 4.389 10 50 EICA O=C1/C(=C/c2cccc(F)c2)SC(=S)N1Nc1ccccc1 1221301 XTFXNNMMLCFCPV-UVTDQMKNSA-N 330.409 4.054 10 50 EICA COc1ccc(CN2C(=O)/C(=C/[C@H]3CC=CCC3)SC2=S)cc1 1480102 LDYXUOBVSLNBNF-RERGGYADSA-N 345.489 4.296 10 50 EICA CC(C)CN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1O 534578893 JBUIJNZSKDUFEN-HNNXBMFYSA-N 344.430 4.460 10 50 EICA Oc1ccccc1C1=NN[C@@H](c2ccc(Cl)cc2Cl)S1 3155992 SWOXBVSWEIYAMV-CYBMUJFWSA-N 325.220 4.396 10 50 EICA COc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1 1212713 ZUWVINZORBPCJN-WJDWOHSUSA-N 341.457 4.409 10 50 EICA CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(Cl)c2)SC1=S 4551154 DYVLFFROFFSUQL-UXBLZVDNSA-N 348.276 4.223 10 50 EICA Cc1cccc(Oc2c(N)ccc3c2C(=O)c2ccccc2C3=O)c1 4918661 LAAXPSWURFARNB-UHFFFAOYSA-N 329.355 4.145 10 50 EICA O=C(c1cccc(Cl)c1)[C@H]1CCCN(Cc2ccccc2O)C1 12386194 XMEFQHNAHHMCFZ-INIZCTEOSA-N 329.827 4.141 10 50 EICA O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4714151 SLZXXWORYGGPLE-GRDNDAEWSA-N 336.347 4.120 10 50 EICA O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1Cc1ccccc1 15636902 MUUILCQFINAZTE-XNTDXEJSSA-N 329.421 4.227 10 50 EICA CCc1c(-c2csc(Cc3ccc(N)cc3)n2)[nH]c(C)c1C(C)=O 843289841 YNJRGOIUWUYZCD-UHFFFAOYSA-N 339.464 4.385 10 50 EICA O=C(NC1CCCCC1)c1ccc2c3c(onc13)-c1ccccc1C2=O 33385 UNWWJMNPGYRYLZ-UHFFFAOYSA-N 346.386 4.102 10 50 EICA O=C(O)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc1 1127605 DQSILZGBKAYAAI-VBQJREDUSA-N 327.330 4.490 10 50 EICA CC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccc(O)cc12 308459 NJFAWVRYGNIMCP-LJQANCHMSA-N 341.794 4.130 10 50 EICA O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)c1 4456015 LTMGPJMANGFVQM-VBQJREDUSA-N 337.335 4.330 10 50 EICA Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)c(C)c1 13802250 WUSHVCXWVUDKHR-SXGWCWSVSA-N 326.421 4.035 10 50 EICA C[C@@H](c1ccncc1)N(C)C1CCN(c2ccc3c(c2)CCC3)CC1 952971026 UNLRMWCHJGQVLT-KRWDZBQOSA-N 335.495 4.232 10 50 EICA Cc1ccc(N/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 1797817 RAHHNLDXZDVIQD-RVDMUPIBSA-N 345.324 4.256 10 50 EICA CN(Cc1cccs1)c1ccc(CNC[C@H]2CCSC2)cc1 824307384 IJHNWRWYWGNCCT-MRXNPFEDSA-N 332.538 4.227 10 50 EICA O=C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccco1 123397 QMQDJJVJCMQHOT-UHFFFAOYSA-N 332.311 4.272 10 50 EICA biogenic CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(Br)c1 15658960 GHFRAENFULXQGA-WJDWOHSUSA-N 341.208 4.255 10 50 EICA O=C1C(=Cc2ccccn2)SC(=S)N1c1ccc(Cl)cc1 1857666839 MDVWZFYISVFTBU-UHFFFAOYSA-N 332.837 4.141 10 50 EICA O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 13574882 SLZXXWORYGGPLE-CKEIUWERSA-N 336.347 4.120 10 50 EICA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 5555048 UFPMJQOFADETFW-VKJFTORMSA-N 336.347 4.120 10 50 EICA O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21 169682784 AMXXQAQJHXLUKO-HPTBWKMGSA-N 340.379 4.103 10 50 EICA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc(Cl)ccc1O 15134058 VYYAVKNXPMIXIP-GDNBJRDFSA-N 341.798 4.073 10 50 EICA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1Cl 100147649 QYEDLRLTLIYKBY-XNTDXEJSSA-N 341.754 4.054 10 50 EICA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(O)cc1C 100148499 NNLWHNIICWBYAL-YBEGLDIGSA-N 341.798 4.073 10 50 EICA Cc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3O)C2)cc1 4292044 DZJADUAYQUNCOD-GOSISDBHSA-N 346.386 4.285 10 50 EICA C[C@H](NCc1noc2ccccc12)c1ccc(N2CCCC2)c(F)c1 2325755933 LGTFMKVSHZEUSF-AWEZNQCLSA-N 339.414 4.418 10 50 EICA CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3C=CC[C@H]32)cc1 1176446 NPEBQWLSFUFZTE-FCEWJHQRSA-N 349.386 4.137 10 50 EICA CC(C)c1cc(NS(=O)(=O)c2ccccc2N)cc(C(C)C)c1O 354329 VUNDUCCMWIKHDF-UHFFFAOYSA-N 348.468 4.022 10 50 EICA O=C(Nc1cccc(N2CCCC2)c1)c1cc(F)c(F)cc1Cl 381869 VCLHCQSOWFYGSD-UHFFFAOYSA-N 336.769 4.471 10 50 EICA CCc1ccccc1-n1c(C)cc(/C=C2/SC(=S)NC2=O)c1C 1177101 UKBMWAHBLJFZBJ-MHWRWJLKSA-N 342.489 4.145 10 50 EICA Cc1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)n1 19799769 STROMGIFIYNBGS-IBGZPJMESA-N 342.402 4.240 10 50 EICA COc1ccccc1OCc1nc(-c2ccc(-n3cccc3)cc2)no1 1423478 XQXGUEKRXODKMW-UHFFFAOYSA-N 347.374 4.115 10 50 EICA O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1ccc(Cl)cc1 1757371 JDDKAACSYQJFJN-NTEUORMPSA-N 347.848 4.451 10 50 EICA CCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1 4506059 FEJPWLNPOFOBSP-VHEBQXMUSA-N 348.790 4.482 10 50 EICA O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1Cc1ccco1 470525 DJSZRCMWDDNULT-UHFFFAOYSA-N 329.783 4.467 10 50 EICA COCCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S 2682712 HPWOJYDXGCRBCZ-NTCAYCPXSA-N 349.521 4.222 10 50 EICA CCCC1=NN2C(=N)/C(=C/c3ccc(C(C)C)cc3)C(=O)N=C2S1 4853685 QWZKBEYGUABOCU-MQDBOXDISA-N 340.452 4.229 10 50 EICA O=C1c2ccccc2C(=O)c2cc3oc(-c4ccccc4)nc3cc21 4785920 OWPZMDFHGRSMAO-UHFFFAOYSA-N 325.323 4.270 10 50 EICA CC(C)Cc1cn[nH]c1[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 20998030 OJZNDYYGELVBFZ-CQSZACIVSA-N 347.890 4.347 10 50 EICA COc1ccc(C2=C/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1OC 448550 VEUALDGQQROHNS-ZROIWOOFSA-N 342.778 4.339 10 50 EICA CCN(CC)c1ccc(CN[C@H](C)[C@@H](O)c2ccc(F)c(F)c2)cc1 236935294 OXHLUDLXGDOQJA-JLTOFOAXSA-N 348.437 4.023 10 50 EICA CCCCCCN1C(=O)/C(=C\c2ccccc2OC)SC1=S 5502061 STHZZBWVMLLZKS-NTCAYCPXSA-N 335.494 4.477 10 50 EICA O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)c1 4409675 PADQUVZDTGNTLH-DAYGRLMNSA-N 337.335 4.330 10 50 EICA CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O 4457075 JKUYRBUUTWOODH-MLDYKZIASA-N 332.469 4.368 10 50 EICA O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 4859595 PGPYRHJVANSWEO-GDZNZVCISA-N 336.347 4.120 10 50 EICA CCN(Cc1ccccc1)Cc1cc(-c2cccc(OC)n2)ccc1O 12130363 HYMNVMZIRTTXAD-UHFFFAOYSA-N 348.446 4.485 10 50 EICA O=C(O)c1ccccc1-n1c(-c2ccccc2)cc2c1CCCC2=O 86513 XKIBIULRIYPQJF-UHFFFAOYSA-N 331.371 4.362 10 50 EICA CCc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)s1 15011059 YOZYFUFCZINJAO-JYRVWZFOSA-N 335.475 4.305 10 50 EICA Oc1ccccc1C1=NN[C@H](c2ccc(Cl)cc2Cl)S1 3155993 SWOXBVSWEIYAMV-ZDUSSCGKSA-N 325.220 4.396 10 50 EICA Cc1ccc(O)c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 1181644 XBBZQMSEPFSQMM-MHWRWJLKSA-N 341.457 4.102 10 50 EICA O=C1/C(=C\c2ccccc2F)SC(=S)N1Cc1ccccc1 15011482 QMMYIWYMKRDXOW-XNTDXEJSSA-N 329.421 4.227 10 50 EICA O=C1/C(=C\C=C\c2ccco2)SC(=S)N1Cc1ccccc1 15011976 YHSBXXPINTVKRS-JBZDNPHWSA-N 327.430 4.237 10 50 EICA CCN1C(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)SC1=S 1163212 ZEMOARRRMKISEC-DHDCSXOGSA-N 335.494 4.348 10 50 EICA COc1cc(Br)cc(CNc2ccc(F)c(F)c2)c1O 4989387 FSNXPSOIYIOKFP-UHFFFAOYSA-N 344.155 4.054 10 50 EICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2cc(C)ccc2nc1O 16183989 LEORXNFGVRMTRP-LDADJPATSA-N 343.386 4.055 10 50 EICA COc1ccc(N2CCN(Cc3cccc4ccccc34)CC2)cc1 19536181 YYVBOXVZNNLDHE-UHFFFAOYSA-N 332.447 4.171 10 50 EICA CN(c1ccc(C=O)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 4088206 AYHHBZFWUTUWGB-UHFFFAOYSA-N 341.366 4.042 10 50 EICA CN1CCCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 19633688 DGFSWEOKYOZFNF-UHFFFAOYSA-N 332.532 4.125 10 50 EICA O=C(c1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccccc2O)C1 12386193 XMEFQHNAHHMCFZ-MRXNPFEDSA-N 329.827 4.141 10 50 EICA C/C(Cl)=C\CC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 101921837 UQDJZHBCEVUVNR-WYMLVPIESA-N 340.810 4.130 10 50 EICA CCOc1cccc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)c1O 14978109 QIYHVJLTZJMTPI-SFHVURJKSA-N 344.430 4.007 10 50 EICA Cc1ccc([C@H](CC(=O)C(C)C)C2C(=O)c3ccccc3C2=O)cc1 100807026 IULKRYUDDGCDFZ-SFHVURJKSA-N 334.415 4.389 10 50 EICA O=C(c1ccc(F)cc1)c1coc2ccc(O)c(CN3CCCC3)c12 253405333 IGBMHCFUGVRRLD-UHFFFAOYSA-N 339.366 4.104 10 50 EICA CC(=O)Oc1ccccc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O 119290 MQXZOALZUDUUHM-XNTDXEJSSA-N 340.762 4.247 10 50 EICA CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3=O 100017900 XUSYGBPHQBWGAD-LAPQFRIASA-N 330.424 4.287 10 50 EICA biogenic,in-vitro COc1cccc(O)c1CN(Cc1cccnc1)Cc1ccsc1 55211260 LIVZXSJWBNCBJT-UHFFFAOYSA-N 340.448 4.060 10 50 EICA O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 13634775 PGPYRHJVANSWEO-PBFPGSCMSA-N 336.347 4.120 10 50 EICA CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1C[C@@H]2OC3=O 898031 XUSYGBPHQBWGAD-LRDNONRASA-N 330.424 4.287 10 50 EICA in-vitro O=[N+]([O-])c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc1 169683016 YMVUKSQPEIRBPV-KEYYUXOJSA-N 337.335 4.330 10 50 EICA Cc1nc(NCc2ccc(N3CCC[C@@H](C)C3)cc2)c2cccnc2n1 95391483 TUSKLKBQDPIUDY-OAHLLOKOSA-N 347.466 4.182 10 50 EICA Cc1cccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)c1 1202815 RRGDRMDEIQXULG-GDNBJRDFSA-N 327.430 4.106 10 50 EICA CN(C1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1)c1ccc(O)cc1 4464209 JRBUSKXNESLGQP-XNTDXEJSSA-N 344.823 4.152 10 50 EICA Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 4919486 JCBBOXRTFPEZBJ-NTEUORMPSA-N 348.880 4.296 10 50 EICA aggregator O=C1OC(c2cccs2)=C/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 16266202 NLKFUPLUALHJMH-UXBLZVDNSA-N 333.752 4.291 10 50 EICA COc1cccc(N2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c1 1187999 HTSFDKVMEJLAPY-YBEGLDIGSA-N 341.457 4.409 10 50 EICA O=S(=O)(O)c1ccc2c(/N=N/c3ccccc3)c(O)ccc2c1 4261842 GTRGJJDVSJFNTE-ISLYRVAYSA-N 328.349 4.208 10 50 EICA in-vitro CC(C)C(=O)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1O 92428 WVFMBPBMXPRWHY-HNNXBMFYSA-N 344.798 4.048 10 50 EICA Cc1nc(NCc2ccc(N)cc2)c2c(CC(C)C)csc2n1 1875334376 LLYCEIUKBZOLOO-UHFFFAOYSA-N 326.469 4.393 10 50 EICA c1ccn2c(CNCc3ccc(N4CCCCCC4)cc3)cnc2c1 2325788580 PQFOEGGNCUYOBU-UHFFFAOYSA-N 334.467 4.005 10 50 EICA O=C(O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4982434 WOKVXSNZKHRNTH-GRDNDAEWSA-N 336.347 4.120 10 50 EICA O=C1c2ccccc2C(=O)C1(Nc1ccc(F)cc1)c1ccccc1 75990 SKXXQQUHASHKLL-UHFFFAOYSA-N 331.346 4.212 10 50 EICA COc1cc(/C=C2\SC(c3ccccc3)=NC2=O)cc(Cl)c1O 12418339 BTIAAMWQYVYEFI-ZROIWOOFSA-N 345.807 4.115 10 50 EICA O=C(O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 5593734 WOKVXSNZKHRNTH-JKIFEVAISA-N 336.347 4.120 10 50 EICA CN(C1=NC(=O)/C(=C\c2ccccc2Cl)S1)c1ccc(O)cc1 4468175 CLOCQLRJGDGSRO-XNTDXEJSSA-N 344.823 4.152 10 50 EICA COc1cccc(-c2ccc(O)c(CN(C)Cc3cccs3)c2)n1 59343265 ZXNGMQWDFJYLEP-UHFFFAOYSA-N 340.448 4.156 10 50 EICA Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1 1210796 VILDIWRIHMNTOA-OVCLIPMQSA-N 346.839 4.414 10 50 EICA Cc1cccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)n1 19799770 STROMGIFIYNBGS-LJQANCHMSA-N 342.402 4.240 10 50 EICA O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2c3c(cc4ccccc24)[C@@H]2C=CC[C@@H]2CN31 239347291 MQUABYFVEIZLIJ-AIJTYSABSA-N 343.426 4.446 10 50 EICA CCc1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)s1 13892997 VKDQTBSMHBFBON-ZSOIEALJSA-N 346.502 4.107 10 50 EICA CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)n(C)c2ccccc12 453662 FJIQVOFAHQGIER-AQTBWJFISA-N 329.403 4.293 10 50 EICA Cc1c(CN(C)C)c2c(n1Cc1ccccc1)C(=O)c1ccccc1-2 351639 GMSJLIWEQRALHY-UHFFFAOYSA-N 330.431 4.118 10 50 EICA Oc1ccc(Cn2ccnc2-c2nc(-c3ccccc3)cs2)c(O)c1 77485872 UNEZHALHWUNWRE-UHFFFAOYSA-N 349.415 4.133 10 50 EICA CCc1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(C)C2=O)c1C 1175696 YGCAMPHEOLKUHR-GZTJUZNOSA-N 340.448 4.323 10 50 EICA Oc1c(CNCc2csc3ccccc23)cccc1-n1cccn1 2325878727 ZQQGEJUVHUAWLX-UHFFFAOYSA-N 335.432 4.082 10 50 EICA CCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12 446481 WIIVTVUNBAATAJ-QFIPXVFZSA-N 348.446 4.227 10 50 EICA CCN1C(=O)/C(=C/C=C2/C=CN(CC)c3ccccc32)SC1=S 30731439 OUISGIHZLXBQHG-ZTJWTMSASA-N 342.489 4.188 10 50 EICA CN(C)c1ccc2sc(SCC(=O)Nc3ccccc3)nc2c1 87506 JEPDUMBKQSWPGT-UHFFFAOYSA-N 343.477 4.093 10 50 EICA CCCn1cnc2cc(NCc3ccc(OC)cc3OC)ccc21 1062865 FGSAIFMDWKPIBH-UHFFFAOYSA-N 325.412 4.076 10 50 EICA O=C1/C(=C/c2cccs2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 5023645 UOHXVSOHSPLAHS-WQLSENKSSA-N 348.430 4.062 10 50 EICA COc1ccc(CN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 1165230 ZJTDGEPQWRXDJT-ZROIWOOFSA-N 347.486 4.158 10 50 EICA CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 5090959 XXSMXVOYVYAUQZ-NTEUORMPSA-N 333.409 4.307 10 50 EICA O=C(c1ccsc1)c1coc2ccc(O)c(CN3CCCC3)c12 218446118 KFXMATBNCANAQE-UHFFFAOYSA-N 327.405 4.027 10 50 EICA CCCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S 1747198 DPGCZJINSBYQSW-COOUDCDJSA-N 345.489 4.395 10 50 EICA Nc1ccc(Oc2cc(Oc3ccc(N)cc3)cc(C(=O)O)c2)cc1 2576952 KPKOSOUTWDOOIW-UHFFFAOYSA-N 336.347 4.134 10 50 EICA in-vitro COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1OC 84114 BWKOAPAYUHUBQZ-NTEUORMPSA-N 342.778 4.339 10 50 EICA Oc1ccc(Br)cc1CNc1cc(F)c(F)cc1F 732345 HGDIZVHJXWPBPZ-UHFFFAOYSA-N 332.119 4.184 10 50 EICA CC(C)CC1=NN2C(=N)/C(=C/c3ccc(Cl)cc3)C(=O)N=C2S1 121418 JQOWGCOOHQFVBI-PEMMUPCOSA-N 346.843 4.005 10 50 EICA Cc1cc(C[C@H](C)N[C@H](C)c2cc(-c3ccccc3)ccc2O)n[nH]1 1875259811 RJOZMPIWBNENJI-GOEBONIOSA-N 335.451 4.373 10 50 EICA COc1cccc(C2N(c3ccccc3)CCN2c2ccccc2)c1O 46081 NMZZEIRNKVQSJV-UHFFFAOYSA-N 346.430 4.426 10 50 EICA O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1Cc1ccco1 12574101 PIJWQLUDDDUFEY-VVGDYKIKSA-N 327.430 4.237 10 50 EICA CC(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 1857524813 GJHUXNNOWZPJNQ-UHFFFAOYSA-N 347.418 4.225 10 50 EICA COc1ccccc1/C=C1\SC(=S)N(c2ccccc2C)C1=O 1160340 OAGACENWTYHLCH-WJDWOHSUSA-N 341.457 4.409 10 50 EICA CCCCN(CCCC)Cc1c(O)ccc2c3c(c(=O)oc12)CCC3 1780046 CGVJGBMMZOCHCU-UHFFFAOYSA-N 343.467 4.390 10 50 EICA biogenic CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccccc1Cl 15930435 VVGVZGRGIGXMDI-UVTDQMKNSA-N 329.762 4.198 10 50 EICA Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccccc3O)C2)c1 20910898 CAKOVQVFGMLQHH-LJQANCHMSA-N 347.462 4.470 10 50 EICA CCC(=O)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1O 446232 AWCFIQDSTVKBNT-SFHVURJKSA-N 340.810 4.209 10 50 EICA biogenic CCC(=O)C[C@@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O 494680 FYFOQYSCXOKLBW-KRWDZBQOSA-N 340.806 4.196 10 50 EICA Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1-c1ccccc1Cl 19884312 UNOVPCUMEUXBHM-UHFFFAOYSA-N 343.810 4.189 10 50 EICA O=C(c1ccsc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O 225781954 WUUXHNQCJVIUNE-OAHLLOKOSA-N 338.388 4.038 10 50 EICA CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O 3871891 XUSYGBPHQBWGAD-PJSUUKDQSA-N 330.424 4.287 10 50 EICA endogenous,world CCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O 4949403 PCBUPGAWZCHVQF-FOWTUZBSSA-N 330.453 4.042 10 50 EICA Cc1cccc(N2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)c1C 6391353 AYISLRSDYNJVMW-SOFGYWHQSA-N 349.522 4.205 10 50 EICA CCN(CC)c1ccc(CN[C@@H](C)[C@H](O)c2ccc(F)c(F)c2)cc1 236931511 OXHLUDLXGDOQJA-XOBRGWDASA-N 348.437 4.023 10 50 EICA CC1=C(C(=O)OCCOc2ccccc2)Sc2ccccc2N1 4046794 NFKXVIPFOQASJV-UHFFFAOYSA-N 327.405 4.058 10 50 EICA CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)c1ccccc1-2 615078 WBMDTXOTAYQUJN-UHFFFAOYSA-N 343.382 4.445 10 50 EICA COC(=O)c1sc2nc3c(c(-c4ccc(C)o4)c2c1N)CCCC3 348372 YOCVARYEUTYSQP-UHFFFAOYSA-N 342.420 4.112 10 50 EICA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCc1ccccc1 1144512 JXZYXXSXSVXGGA-VBKFSLOCSA-N 343.448 4.270 10 50 EICA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2ccccc2O)C1 12430580 GKJBBNOCBFQAGQ-MRXNPFEDSA-N 343.854 4.449 10 50 EICA Cc1c(Br)cnc(-n2c(C)ccc2C)c1Br 230552795 OGBILJNDBLXFFT-UHFFFAOYSA-N 344.050 4.323 10 50 EICA O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccc(O)cc1 16677501 XRKIWRHYBPPGMP-QSJINSDNSA-N 339.441 4.354 10 50 EICA CCCOC(=O)c1ccc(/N=N/c2ccc(O)c(CC(=O)O)c2)cc1 27643978 DPHOCQNZARWEHS-FMQUCBEESA-N 342.351 4.002 10 50 EICA in-vitro C[C@H](NC(=O)Cc1cccs1)c1ccc(N2CCCCC2)cc1 72117543 BWUKSEHBQJTUFH-HNNXBMFYSA-N 328.481 4.158 10 50 EICA CC[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 727734676 RINPIBGHFPRQGH-MRXNPFEDSA-N 326.440 4.117 10 50 EICA CCCc1cccc(C(C)C)c1NC(=O)NCc1cc(O)ccc1O 1775992892 OUOLMLZJKNMQHL-UHFFFAOYSA-N 342.439 4.495 10 50 EICA Cc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(C)C2=O)c1C 15799942 WRMMEGLRKPOPMM-YBEGLDIGSA-N 326.421 4.069 10 50 EICA O=C1/C(=C\Nc2ccccc2)SC(=S)N1Cc1ccccc1 18122680 OUJNCFLRBWPNGB-RVDMUPIBSA-N 326.446 4.000 10 50 EICA CC(C)C(=O)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1O 92423 WVFMBPBMXPRWHY-OAHLLOKOSA-N 344.798 4.048 10 50 EICA CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 15011084 DMZKEVFLBRPYSW-WJDWOHSUSA-N 348.537 4.390 10 50 EICA Oc1ccc2ccccc2c1CNc1ccc(Br)cn1 18323701 BVFCCUUBMKTVQX-UHFFFAOYSA-N 329.197 4.315 10 50 EICA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 101832862 LHSUTBGPVJHKPC-RKVPGOIHSA-N 336.347 4.120 10 50 EICA CC(C)Cc1cn[nH]c1[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 20998032 OJZNDYYGELVBFZ-AWEZNQCLSA-N 347.890 4.347 10 50 EICA O=C(c1ccccc1)c1coc2ccc(O)c(CN3CCCCC3)c12 253403688 HICUMWQCNKZANY-UHFFFAOYSA-N 335.403 4.355 10 50 EICA CC(C)CC(=O)N[C@@H](c1ccccc1)c1ccc2cccnc2c1O 92382 UECHRCZFFNFJCG-IBGZPJMESA-N 334.419 4.192 10 50 EICA O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1Cc1cccnc1 1144346 YRFPEWMBHMKUTK-ZSOIEALJSA-N 346.864 4.136 10 50 EICA O=C1/C(=C\c2ccccc2Cl)SC(=S)N1Cc1ccco1 1454887 OUXUMLLSTAUKEE-MDWZMJQESA-N 335.837 4.334 10 50 EICA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 101832858 LHSUTBGPVJHKPC-VKJFTORMSA-N 336.347 4.120 10 50 EICA CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 3984016 QRYRORQUOLYVBU-VBKZILBWSA-N 332.440 4.316 10 50 EICA endogenous,world Cc1noc(C2CC2)c1NC(=O)NCc1c(O)ccc2ccccc12 1875279165 WWDSOFGWMYBGAF-UHFFFAOYSA-N 337.379 4.041 10 50 EICA Cc1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1 13648665 PXTORXBVHPUUBY-DHDCSXOGSA-N 327.430 4.106 10 50 EICA Cc1ccc([N+](=O)[O-])cc1/N=N\c1n[nH]c2cc([N+](=O)[O-])ccc12 4625485 UVZHCJALFAVOAK-ICFOKQHNSA-N 326.272 4.103 10 50 EICA CCCCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)SC1=S 100303208 MRRJVSYZXQEZAE-FOCLMDBBSA-N 344.505 4.412 10 50 EICA COc1cc([N+](=O)[O-])cc2c1N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@H]21 248251295 PSPLPPYNGLDIRF-MJXUCMMTSA-N 326.396 4.414 10 50 EICA COc1ccc(C2=NN[C@H](c3ccc(Cl)cc3Cl)C2)c(O)c1 457225 IYOMIFKUOWMIJS-AWEZNQCLSA-N 337.206 4.146 10 50 EICA CCN(CC)c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1 3861448 OORQUAGUOJMPCS-ISLYRVAYSA-N 333.413 4.195 10 50 EICA in-vitro O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1ccccc1 4537641 GEKDQXSPTHHANP-OUKQBFOZSA-N 339.398 4.010 10 50 EICA CC(=O)N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccc(O)cc12 308457 NJFAWVRYGNIMCP-IBGZPJMESA-N 341.794 4.130 10 50 EICA CCN1/C(=C2\C(=O)N(c3ccccc3)N=C2C)C=Cc2ccccc21 100199457 LBCBLMHAHZYOKU-VXPUYCOJSA-N 329.403 4.217 10 50 EICA CC[C@H](C)N1C(=O)/C(=C/C=C/c2ccccc2OC)SC1=S 1165049 JZGTZMDPRORTDB-YBPNDSEJSA-N 333.478 4.251 10 50 EICA C[C@@H](CCCC(C)(C)O)NCc1cc(-c2ccccc2)ccc1O 11787194 NDTLDFGRZTYBTB-INIZCTEOSA-N 327.468 4.479 10 50 EICA Cc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O 348380 PDDYCUFSBCSNRZ-UHFFFAOYSA-N 327.383 4.382 10 50 EICA O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 13634771 PGPYRHJVANSWEO-IIYDPXPESA-N 336.347 4.120 10 50 EICA O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccccc1F 6647828 DSZWCKYCXGJNNX-UHFFFAOYSA-N 335.791 4.086 10 50 EICA CCN1c2ccc(/C=C3\SC(=S)NC3=O)cc2C(C)=CC1(C)C 13478009 KFXFWGZNCSXIIP-DHDCSXOGSA-N 344.505 4.197 10 50 EICA CCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S 4871489 XEGKDHKVJSUJPK-MKVLZVNKSA-N 331.462 4.005 10 50 EICA Cc1ccccc1N1C(=O)/C(=C/C=C/c2ccccc2)C(O)=NC1=S 17146712 IPEJRDSHUDHUEF-DNRGFCISSA-N 348.427 4.223 10 50 EICA CCCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S 1747194 DPGCZJINSBYQSW-IEMQHYRPSA-N 345.489 4.395 10 50 EICA O=C(c1ccsc1)c1coc2ccc(O)c(CN3CCCCC3)c12 218544755 INKQJQQONHSHNL-UHFFFAOYSA-N 341.432 4.417 10 50 EICA Oc1nc2ccccc2c(O)c1/N=N/c1c(O)nc2ccccc2c1O 253623588 QVWDMFCYTPFDBR-QURGRASLSA-N 348.318 4.021 10 50 EICA Oc1c(Cl)cc(Cl)cc1CN1CCN(c2ccccc2)CC1 4981012 WJUKWHSYVWDXQU-UHFFFAOYSA-N 337.250 4.021 10 50 EICA O=C1c2ccccc2-c2nnc(-c3cccc(Br)c3)cc21 4006187 QJWHHMRBGUTLMX-UHFFFAOYSA-N 337.176 4.118 10 50 EICA Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2O)cc1 104506 BALQQOSBLXPMAJ-FQEVSTJZSA-N 330.387 4.472 10 50 EICA O=C1NC(=S)S/C1=C\c1c(-c2ccccc2)[nH]c2ccccc12 4713689 HGGBOQNUNSXPOZ-GDNBJRDFSA-N 336.441 4.324 10 50 EICA Cc1cnc(C)c(-c2ccc(O)c(CN(C)CCc3ccccc3)c2)n1 12159262 ISUITFQSMYOOAD-UHFFFAOYSA-N 347.462 4.141 10 50 EICA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(Cl)cn1 16671962 ILGIVYDQIQUBJS-ZROIWOOFSA-N 347.205 4.107 10 50 EICA CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccncc2)SC1=S 17360293 DIGSBNOZLNNDAQ-WZMONFQBSA-N 334.510 4.499 10 50 EICA Cc1nn2c3ccccc3n(C)c2c1/N=N/c1nc2ccccc2n1C 4042948 CZZCNTRYXBIQRH-QURGRASLSA-N 343.394 4.437 10 50 EICA Cc1cccc(/C=C2\SC(=S)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 254392958 MKGURZZDYMUDCS-QRNVANPFSA-N 329.490 4.385 10 50 EICA COc1cccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1O 818074 WSLDXWMYULRVET-HXUWFJFHSA-N 335.407 4.162 10 50 EICA COc1ccccc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 1195375 XKTVZFGICBABNX-LFIBNONCSA-N 341.457 4.097 10 50 EICA CCCCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 6308593 YFDKBZAOKAAIAZ-WJDWOHSUSA-N 345.489 4.397 10 50 EICA Cc1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)o1 16676000 BSIMXXBMQWEZJS-WQLSENKSSA-N 331.165 4.332 10 50 EICA O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1cccc(Cl)c1 13533314 UVXOAMFHPRTWCV-ZSOIEALJSA-N 347.848 4.451 10 50 EICA CC(C)CC(=O)N[C@@H](c1cccs1)c1ccc2cccnc2c1O 92406 MDLWLVWPYPTEPB-GOSISDBHSA-N 340.448 4.254 10 50 EICA COc1cc(Br)cc(CNc2ccc(C)c(F)c2)c1O 2383663 QVBADAXVAYOBBJ-UHFFFAOYSA-N 340.192 4.223 10 50 EICA Cc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3O)C2)cc1 4292043 DZJADUAYQUNCOD-SFHVURJKSA-N 346.386 4.285 10 50 EICA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 4309892 VNKSNXSXZRIHGM-QEEYODRMSA-N 349.390 4.380 10 50 EICA COc1cc(C2Nc3cccc4cccc(c34)N2)cc(OC)c1OC 28677 PPQSKZVLJQHWIG-UHFFFAOYSA-N 336.391 4.402 10 50 EICA Oc1ccc2ccccc2c1CN1CCN(c2ccccc2F)CC1 19632625 SUBJJUHZHYYTTB-UHFFFAOYSA-N 336.410 4.007 10 50 EICA COc1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 1227271 UCZAMHAAOWUNNU-PTNGSMBKSA-N 327.430 4.101 10 50 EICA COc1ccc(-c2ccc(CCC(=O)O)n2CCc2ccccc2)cc1 469872 FFISLMLXSKLUIP-UHFFFAOYSA-N 349.430 4.424 10 50 EICA O=C(NCc1c(O)c(Cl)cc(Cl)c1Cl)c1ccccc1 301185 UNVZPXJJJJESDF-UHFFFAOYSA-N 330.598 4.282 10 50 EICA CCCCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=S 2066042 JNZCDFCSQIEFEE-WYMLVPIESA-N 336.507 4.058 10 50 EICA O=C(O)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 59267140 DQSILZGBKAYAAI-KEYYUXOJSA-N 327.330 4.490 10 50 EICA Nc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 12477551 ZJXNVHARJJXJOW-UHFFFAOYSA-N 344.414 4.308 10 50 EICA in-vitro Cc1cccc(COc2ccccc2/C=C2/SC(=S)NC2=O)c1 1179648 BBXBMBDPYRFUML-MHWRWJLKSA-N 341.457 4.063 10 50 EICA Cc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 75982 YTMJJHILRDXZHY-UHFFFAOYSA-N 327.383 4.382 10 50 EICA O=C(c1ccco1)N(Cc1ccccc1O)c1ccc(Cl)cc1 4840308 QAAYSLSBWJJBOU-UHFFFAOYSA-N 327.767 4.486 10 50 EICA Oc1ccccc1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71750741 HYPAWVIUIHXCOK-QGZVFWFLSA-N 338.234 4.273 10 50 EICA Cc1c(O)c(CN2CCCC2)cc2c(-c3ccccc3)cc(=O)oc12 116899 XNOBCXVQLYAYND-UHFFFAOYSA-N 335.403 4.070 10 50 EICA COc1ccccc1NC[C@@H](O)Cn1c2ccccc2c2ccccc21 2289022 OPDGQHAPKWKCRT-MRXNPFEDSA-N 346.430 4.276 10 50 EICA O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)c1 4456017 LTMGPJMANGFVQM-ZQIUZPCESA-N 337.335 4.330 10 50 EICA O=C1NC(=O)/C(=C\c2cc(/N=N\c3ccccc3)ccc2O)S1 100469269 FWGNIJGEUMAROS-QEDPKASPSA-N 325.349 4.132 10 50 EICA Nc1ccc(Oc2ccc(CC[C@@H]3COc4ccccc4O3)cc2)nc1 244817164 SVHMYFVLFYHPNP-GOSISDBHSA-N 348.402 4.229 10 50 EICA CCn1c(C)c(/C=C/c2nc3ccccc3c(=O)n2C)c2ccccc21 5050015 IEZAQGFELQNDCK-BUHFOSPRSA-N 343.430 4.387 10 50 EICA CN(CCc1ccccn1)Cc1cc(-c2ccc(F)cc2)ccc1O 11913440 HXICMUJJPZOJPM-UHFFFAOYSA-N 336.410 4.268 10 50 EICA CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cccnc2)SC1=S 2302241 POKVGKJDASKTQX-NWFCWYBLSA-N 334.510 4.499 10 50 EICA COc1cccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1O 818073 WSLDXWMYULRVET-FQEVSTJZSA-N 335.407 4.162 10 50 EICA O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1Cc1ccco1 1450928 PIJWQLUDDDUFEY-JBZDNPHWSA-N 327.430 4.237 10 50 EICA CN(C)c1ccc(C(O)(c2ccccc2)c2ccc(N(C)C)cc2)cc1 4506047 LXHOGENDFZKPSF-UHFFFAOYSA-N 346.474 4.103 10 50 EICA in-vitro COc1cccc(-c2ccc(O)c(CN3CCCCCCC3)c2)n1 11913466 BNVLGMHGSFTFCS-UHFFFAOYSA-N 326.440 4.229 10 50 EICA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 144433620 UFPMJQOFADETFW-RVKKMQEKSA-N 336.347 4.120 10 50 EICA Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1 3873981 LJFWQNJLLOFIJK-UHFFFAOYSA-N 329.355 4.220 10 50 EICA in-vitro O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1Cc1cccnc1 15010800 BMVCAUCSLNVWFW-MMPACVFLSA-N 338.457 4.039 10 50 EICA CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccncc2)SC1=S 17360292 DIGSBNOZLNNDAQ-LKKYZFDUSA-N 334.510 4.499 10 50 EICA COc1ccc([C@@H](NC(=O)C(C)C)c2c(O)ccc3ccccc23)cc1 446325 PVVXKVZDFCYHSG-OAQYLSRUSA-N 349.430 4.416 10 50 EICA Cc1cccc(COc2cccc(/C=C3/SC(=S)NC3=O)c2)c1 1182538 PZRKFHROQASFGL-MHWRWJLKSA-N 341.457 4.063 10 50 EICA O=C1c2ccccc2C(=O)C1c1cccc(OCc2ccccc2)c1 101359814 WGLPOUUCUHQXBG-UHFFFAOYSA-N 328.367 4.428 10 50 EICA O=C1c2cccc(Cl)c2C(=O)c2c1cccc2N1CCCCC1 4819164 DMRHGLNERFXOKQ-UHFFFAOYSA-N 325.795 4.106 10 50 EICA CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 5139697 VRXFDHAGFYWGHT-UHFFFAOYSA-N 327.815 4.447 10 50 EICA biogenic,world Cc1ccc(N2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 13739399 DEMFDSUOHMJNBD-SFQUDFHCSA-N 338.432 4.302 10 50 EICA CCCN(Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1Cl 775610309 NPMYDRPZODHJIV-SFHVURJKSA-N 337.822 4.130 10 50 EICA COc1ccc(-c2cc(C3CC3)nc3sc(C(=O)O)c(N)c23)cc1 22064138 UIWJSJRCYRJTGZ-UHFFFAOYSA-N 340.404 4.130 10 50 EICA COc1ccc(C2=C/C(=C/c3ccc(Cl)cc3)C(=O)O2)c(OC)c1 199967 IJXLRZVGNAACSL-LCYFTJDESA-N 342.778 4.339 10 50 EICA Cc1ccc(CN2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1 1164346 NWZDJPBVILAHOR-DHDCSXOGSA-N 329.446 4.298 10 50 EICA CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12 20289870 BVATZHAEXPQYGE-UHFFFAOYSA-N 335.831 4.090 10 50 EICA aggregator Cc1c(NS(=O)(=O)c2ccccc2)cc(C(C)C)c(O)c1Cl 65416 MLAWOIICTZPZQT-UHFFFAOYSA-N 339.844 4.278 10 50 EICA Cc1cc(C(=O)N2CCC[C@@H]2c2ccccn2)c(C)n1-c1ccccc1 77456991 LMMAQSJALQIUQN-OAQYLSRUSA-N 345.446 4.466 10 50 EICA CC[C@@H](C)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 6355836 PKZKEIRENKXBOJ-PDICVPPASA-N 331.462 4.005 10 50 EICA O=C1c2ccccc2C(=O)C1(Br)c1ccc(Cl)cc1 122645 XQPKEDHGRZYRNU-UHFFFAOYSA-N 335.584 4.009 10 50 EICA O=C(C[C@H](NC1CCCCC1)c1ccccc1O)NC1CCCCC1 191007 ZVJSLSDHGOHMLR-IBGZPJMESA-N 344.499 4.195 10 50 EICA CCc1ccc(-n2c(C)cc(/C=C3/SC(=S)NC3=O)c2C)cc1 1211840 YAHKNGWXAVVUBR-MHWRWJLKSA-N 342.489 4.145 10 50 EICA Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1 2262402 HVWJNOOJGKPXAC-OQLLNIDSSA-N 346.839 4.414 10 50 EICA COc1ccc(N2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1 1188318 IGBIMQSTTDDDLO-LFIBNONCSA-N 341.457 4.409 10 50 EICA O=C1/C(=C/c2ccccc2)SC(=S)N1CCc1ccccc1 975039 OXUMWMCJBWOBKY-SSZFMOIBSA-N 325.458 4.131 10 50 EICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 100580399 CNWQXMBSRHTZON-NTEUORMPSA-N 341.754 4.054 10 50 EICA COc1ccc(OC)c(C2=C/C(=C/c3cccc(Cl)c3)C(=O)O2)c1 200035 XNCBCGACSXPHEU-JYRVWZFOSA-N 342.778 4.339 10 50 EICA Cc1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)o1 15011177 SZZHICMREUMCCS-VBKFSLOCSA-N 343.473 4.422 10 50 EICA O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 4116902 LHSUTBGPVJHKPC-HDMKZQKVSA-N 336.347 4.120 10 50 EICA in-vitro Oc1ccc(-c2nc3ccccc3s2)cc1CN1CCSCC1 14984428 NLHDSZUWAFXDHF-UHFFFAOYSA-N 342.489 4.218 10 50 EICA Nc1ccc(Oc2ccc(CC[C@H]3COc4ccccc4O3)cc2)nc1 244817165 SVHMYFVLFYHPNP-SFHVURJKSA-N 348.402 4.229 10 50 EICA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 12379716 AVXVXNKSLRNVSY-FUHIMQAGSA-N 349.390 4.380 10 50 EICA CC1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)coc23)CC1 19770882 NENSQPHXVCCTKY-UHFFFAOYSA-N 349.430 4.398 10 50 EICA Cc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccccc3O)C2)c1 20910901 CAKOVQVFGMLQHH-IBGZPJMESA-N 347.462 4.470 10 50 EICA Cc1cc(C=O)c(C)n1-c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 4543406 WCCJMTHTCWZRTG-UHFFFAOYSA-N 327.384 4.169 10 50 EICA O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1cccc([N+](=O)[O-])c1 446496 AGDKNHSEXSYVSM-MDWZMJQESA-N 327.723 4.230 10 50 EICA COc1ccc(C2=C/C(=C/c3cccc(Cl)c3)C(=O)O2)c(OC)c1 199971 POGKMVHMAPZQJC-JYRVWZFOSA-N 342.778 4.339 10 50 EICA CCN(CC)c1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 1115259 DMZKEVFLBRPYSW-LFIBNONCSA-N 348.537 4.390 10 50 EICA CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 186990 LAIQSHPBBDZDBR-HKWRFOASSA-N 333.435 4.339 10 50 EICA COc1cccc(CNc2ccc(CN3CCCCCC3)cc2)c1O 170616004 OXLAPVTZESXNPJ-UHFFFAOYSA-N 340.467 4.389 10 50 EICA COc1ccccc1/C=C1/SC(Nc2cccc(C)c2C)=NC1=O 15746296 PRYPLEXRSMYMIX-GZTJUZNOSA-N 338.432 4.394 10 50 EICA CC(C)COc1ccc(/C=C2\SC(=S)NC2=O)c2ccccc12 13371810 RUWRGCBVNSGDSC-SXGWCWSVSA-N 343.473 4.363 10 50 EICA Cc1ccc(COc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1 15769470 FELDFKKJTMONQX-YBEGLDIGSA-N 341.457 4.063 10 50 EICA CCOc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1 1221326 WTRODHQFMRVGPS-GDNBJRDFSA-N 345.445 4.393 10 50 EICA O=C1/C(=C/c2ccccc2F)SC(=S)N1CCc1ccccc1 1214515 PLZVXXPJZKMOGG-VBKFSLOCSA-N 343.448 4.270 10 50 EICA Cc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 16676029 WPGHSKRZNSDFLZ-WJDWOHSUSA-N 325.458 4.396 10 50 EICA CC(C)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1190021 XULIWCNVQYYLBR-XFFZJAGNSA-N 342.283 4.059 10 50 EICA O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 451476 WCZWWFPEXQMGTN-UHFFFAOYSA-N 336.347 4.070 10 50 EICA Oc1c(Cl)cc(Cl)cc1[C@H]1NCCc2c1[nH]c1ccccc21 19301132 VGVLRBZRXUPPKU-OAHLLOKOSA-N 333.218 4.415 10 50 EICA Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1ccc(Cl)cc1 2303776 PDBJVAFYFYFLKK-RIYZIHGNSA-N 348.880 4.236 10 50 EICA Cc1cc(=O)oc2cc(O)c(/N=N/c3ccc([N+](=O)[O-])cc3)cc12 5276954 YUNIGOYUKSLAPE-ISLYRVAYSA-N 325.280 4.131 10 50 EICA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2ccccc2O)C1 12430581 GKJBBNOCBFQAGQ-INIZCTEOSA-N 343.854 4.449 10 50 EICA CCCN1/C(=C2/SC(=S)N(CC)C2=O)C=Cc2ccccc21 101631091 JFCBOYPTHCVHSN-CCEZHUSRSA-N 330.478 4.022 10 50 EICA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 144433395 UFPMJQOFADETFW-IIDMSEBBSA-N 336.347 4.120 10 50 EICA CCOC(=O)c1ccc(/N=N/c2ccc(C(=O)OCC)cc2)cc1 18098946 YFFNOBALALSBCH-FMQUCBEESA-N 326.352 4.455 10 50 EICA CN(C1=NC(=O)/C(=C\C=C\c2ccccc2)S1)c1ccc(O)cc1 15746659 KFESTKZPAVEVHA-BDKUJZOCSA-N 336.416 4.055 10 50 EICA O=c1c(-c2ccccc2)coc2c(CN3CCCCC3)c(O)ccc12 19771101 WRKNCGBLJWHTCH-UHFFFAOYSA-N 335.403 4.152 10 50 EICA biogenic,in-vitro Cc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=S)N=C2O)s1 13766040 MXCWEISVULJATE-LCYFTJDESA-N 342.445 4.037 10 50 EICA CN(C)c1ccc([C@H]2N=C(S)NC3=C2CCc2ccccc23)cc1 201648 YTQNVEORWAVBBW-GOSISDBHSA-N 335.476 4.040 10 50 EICA Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 1214238 HVBAAFLVYDBWPY-GDNBJRDFSA-N 327.430 4.106 10 50 EICA O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1 1067623 DTTMESYQADJMCV-UVTDQMKNSA-N 342.401 4.001 10 50 EICA C[C@@H](NCc1noc2ccccc12)c1ccc(N2CCCC2)c(F)c1 2325755934 LGTFMKVSHZEUSF-CQSZACIVSA-N 339.414 4.418 10 50 EICA CC(C)N1C[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CC1=O 20109931 PUFPJOYUFOPUSY-SFHVURJKSA-N 345.446 4.468 10 50 EICA O=C(Nc1ncc(C2CCCCC2)s1)N1Cc2cccc(O)c2C1 930772911 JNYDRRZQVYKRKM-UHFFFAOYSA-N 343.452 4.444 10 50 EICA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 257969 LHSUTBGPVJHKPC-RVKKMQEKSA-N 336.347 4.120 10 50 EICA O=C1/C(=C/C=C/c2ccco2)SC(=S)N1CCc1ccccc1 1145771 FELLRGNBSVYJQO-MMPACVFLSA-N 341.457 4.280 10 50 EICA Cc1cc(C)cc(-n2c(C)cc(C=C3SC(=O)N(C)C3=O)c2C)c1 1857666653 BVMMYTBDKKYXMK-UHFFFAOYSA-N 340.448 4.377 10 50 EICA COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2O)cc1 183493 SCOCCPOJFVHDMP-FQEVSTJZSA-N 346.386 4.172 10 50 EICA Oc1c(Cl)cc(Cl)cc1[C@@H]1NN=C(c2ccccc2)S1 2918681 SMUYNLUMXSCYOF-CQSZACIVSA-N 325.220 4.396 10 50 EICA O=C1/C(=C/c2cccs2)SC(=S)N1CCc1ccccc1 1009403 LAEQRWPPVPGVRK-KAMYIIQDSA-N 331.487 4.192 10 50 EICA Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(C)C3=O)c2C)cc1 1206949 DNENVHRSAZGVTE-MHWRWJLKSA-N 326.421 4.069 10 50 EICA CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1C[C@@H]2OC3=O 100014738 XUSYGBPHQBWGAD-MNVSYLFESA-N 330.424 4.287 10 50 EICA in-vitro Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 77823 GCKSENNZWDTDLF-UHFFFAOYSA-N 339.844 4.278 10 50 EICA Cc1ccc(NC2=NC(=O)/C(=C/c3ccccc3O)S2)cc1Cl 446773 LSLYYWQDTPGBAA-NVNXTCNLSA-N 344.823 4.436 10 50 EICA Oc1ccc(/N=N/c2nc(-c3ccc(Br)cc3)n[nH]2)cc1 13125099 SNQXAJCVPFECRN-HTXNQAPBSA-N 344.172 4.355 10 50 EICA COc1ccccc1N1C(=O)/C(=C\c2ccccc2)SC1=S 4567600 VNNHFTNMQITAFU-RVDMUPIBSA-N 327.430 4.101 10 50 EICA O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccc(Cl)c1 31091170 CHUVDHBLBWWXQA-UHFFFAOYSA-N 329.831 4.262 10 50 EICA O=C1/C(=C/c2ccccc2F)SC(=S)N1CNc1ccccc1 334160469 FJLZAECTGDBYOY-GDNBJRDFSA-N 344.436 4.097 10 50 EICA CCCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 16114958 BJONIZNMQMSNGM-GDNBJRDFSA-N 335.494 4.333 10 50 EICA COc1ccc(-n2c(C)cc(C(=O)N(C(C)C)C3CC3)c2C)cc1 728865226 BEOFHWCKIFHGHS-UHFFFAOYSA-N 326.440 4.116 10 50 EICA CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Cl)cc1 1857524937 SLINMSRSTKXUCI-UHFFFAOYSA-N 325.799 4.367 10 50 EICA O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccccc1 13940305 MWNQGKOFXADLSH-DHZHZOJOSA-N 348.430 4.062 10 50 EICA CCOc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1 3880702 PIHBYVSRBZYTAD-UHFFFAOYSA-N 332.454 4.300 10 50 EICA CCCN(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 100452958 BIEKBOAPWJBVSP-WUKNDPDISA-N 329.316 4.418 10 50 EICA CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 1194603 WGQSKIXRBSMGNW-WJDWOHSUSA-N 341.457 4.097 10 50 EICA CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 970813 VNKSNXSXZRIHGM-SIFCLUCFSA-N 349.390 4.380 10 50 EICA Cc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)s1 1150710 BWBBHPDPWAINDU-NTEUORMPSA-N 331.487 4.458 10 50 EICA CN(C)c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 1452454 LFJMMSRNBPHJMF-FOWTUZBSSA-N 346.521 4.287 10 50 EICA Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 170627302 NZKCCBJIAOYDBM-UHFFFAOYSA-N 335.451 4.089 10 50 EICA COc1ccc(N2C(=O)/C(=C\c3ccc(C)s3)SC2=S)cc1 1147300 HNFUEEQUOGWBPR-NTEUORMPSA-N 347.486 4.471 10 50 EICA COc1cccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)c1OC 22478723 SYKNWHHQUNGRSD-LFIBNONCSA-N 336.387 4.302 10 50 EICA CN1CCc2cc(CNc3nc(C(F)F)nc4ccccc34)ccc21 170598771 AJPVVZOCEJUYKB-UHFFFAOYSA-N 340.377 4.172 10 50 EICA CC(C)(C)C(=O)C[C@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 100368443 HTHXVNNUTNHMIL-QGZVFWFLSA-N 334.415 4.471 10 50 EICA Cc1ccc([C@H](NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1 102672 IEJCDDPVSNZCAS-SFHVURJKSA-N 334.419 4.110 10 50 EICA