smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C[C@H]3C=CCC3)cc2)C1 55916790 VVQUKNLOPYLSAY-RDJZCZTQSA-N 341.455 2.361 10 40 EECB COc1ccc(N2CCN(c3nc(Cl)nc4[nH]cnc34)CC2)cc1 9421071 LAHPUIZIKIOECV-UHFFFAOYSA-N 344.806 2.342 10 40 EECB COC(=O)c1sccc1N/C=C1/C(=O)NN=C1c1ccccc1 100278032 RVVAPTXJAZWWCU-PKNBQFBNSA-N 327.365 2.365 10 40 EECB CCC1=NN2C(=N)/C(=C\c3ccc4c(c3)OCO4)C(=O)N=C2S1 4613953 MHDDCOQKVWSDNH-WTKXWPBNSA-N 328.353 2.444 10 40 EECB Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)NC3CC3)sc2n1 32672200 LHSSHOHDIHFTCV-SECBINFHSA-N 333.413 2.319 10 40 EECB COc1ccccc1N1CCN(Cc2cc3c(cc2O)OCO3)CC1 3348527 VPFFELAIQVYSLW-UHFFFAOYSA-N 342.395 2.452 10 40 EECB CCOc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1O 12436489 JNHJQDJACJYKJB-UVTDQMKNSA-N 334.397 2.093 10 40 EECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 33896372 HBYQWQBRACAEGZ-XNTDXEJSSA-N 340.335 2.340 10 40 EECB O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C/NC1CC1 5819361 VXVVGEPCVCICFJ-GXDHUFHOSA-N 337.404 2.223 10 40 EECB O=C(CN1CCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 7786198 LFOMJZPLUQFNBN-UHFFFAOYSA-N 334.375 2.496 10 40 EECB CC1=CC(C)(C)N(C)c2cc(C)c(C=C3C(=O)NC(=O)NC3=O)cc21 113813606 HECKJENPJYSELS-UHFFFAOYSA-N 339.395 2.376 10 40 EECB COc1ccc(N2CCN(CCn3c(C)csc3=O)CC2)cc1 44870127 PHOZQURCDLJLNK-UHFFFAOYSA-N 333.457 2.049 10 40 EECB CC(=O)N(C)CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F 584906698 YOQHNGZUALFMGO-UHFFFAOYSA-N 345.365 2.122 10 40 EECB O=C1c2ccccc2C(=O)C12[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]2[N+](=O)[O-] 5604711 TXGJGGKFQSGTJA-KGLIPLIRSA-N 338.275 2.403 10 40 EECB O=C(CC(=O)c1ccccc1)CC(=O)C1C(=O)c2ccccc2C1=O 100478309 DOFLIVSIPPGUBF-UHFFFAOYSA-N 334.327 2.483 10 40 EECB CS(=O)(=O)N1CCCN(Cc2c(O)ccc3ccccc23)CC1 27085804 YSOSYRYEGPHFLE-UHFFFAOYSA-N 334.441 2.013 10 40 EECB N=C1/C(=C\c2coc3ccc(O)cc3c2=O)C(=O)N=C2SC=CN12 5442848 FNEJQEBATASNNC-UTVFFRKMSA-N 339.332 2.275 10 40 EECB CC(C)[C@@H](C(=O)NCCCSc1nccs1)N1CCCC1=O 71905638 KPQQNTWHQBVELJ-ZDUSSCGKSA-N 341.502 2.389 10 40 EECB CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2C(C)=O)cc1F 96404932 MSJGVUMHFGVVGY-QGZVFWFLSA-N 335.423 2.299 10 40 EECB COc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)c(OC)c1 12436565 KAQRNBFEIXEWRO-ZROIWOOFSA-N 334.397 2.006 10 40 EECB Cc1ccc(NS(=O)(=O)c2cccc3nsnc23)c(C(=O)O)c1 58357107 XNFGIBOJGMHDHN-UHFFFAOYSA-N 349.393 2.499 10 40 EECB Cc1ccc(N2C(=O)/C(=C\NN3CCCCC3)C(=O)N=C2S)cc1 9008656 SWSSMNUEQSTCII-KAMYIIQDSA-N 344.440 2.028 10 40 EECB CCN1C(C)=C(C)S/C1=C1\SC(=S)N(NC(C)=O)C1=O 32190710 ARYGKZCPEIDHJV-LUAWRHEFSA-N 329.472 2.387 10 40 EECB CN1CCCc2cc(CNC(=O)CNC(=O)CC(C)(C)C)ccc21 57550399 MKLLRHHBMULCGF-UHFFFAOYSA-N 331.460 2.238 10 40 EECB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 331689 OEWOTYTVUXBDPL-AWNIVKPZSA-N 325.324 2.003 10 40 EECB Cc1cc2c(cc1C=C1C(=O)NC(=O)NC1=O)[C@@H](C)CC(C)(C)N2C 113774361 QLNODCLDEDEFQZ-NSHDSACASA-N 341.411 2.466 10 40 EECB COc1ccc2cc(/C=C3/SC(=S)N(C)C3=O)c(=O)[nH]c2c1 13728203 ZQBLACADZYNKHC-WUXMJOGZSA-N 332.406 2.368 10 40 EECB CN1CCN(n2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)CC1 1547138277 FCGAQKUGRDYECG-UHFFFAOYSA-N 345.402 2.096 10 40 EECB biogenic COc1ccccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 49740630 JLXVCEOTYHHEOK-UHFFFAOYSA-N 339.439 2.377 10 40 EECB CN(C)c1ccc(/C=C/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1 168738780 ACKVWZWGPJSJFH-HJSZHNSDSA-N 332.381 2.430 10 40 EECB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374602 PUGKHTARRSXMCQ-SBMLRHLQSA-N 342.467 2.422 10 40 EECB COc1ccc(N2CCN(C[C@@H](O)CO[C@H]3CCC[C@H]3C)CC2)cc1 54241285 HXEMNXHJEFXNHD-POAQFYNOSA-N 348.487 2.383 10 40 EECB CN1CCCc2cc(CNC(=O)N3CC[C@H](N4CCCC4)C3)ccc21 66191702 ZLTMNCUXGOVMHJ-SFHVURJKSA-N 342.487 2.449 10 40 EECB CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ocnc1C1CC1 521395802 LEVRXMTZRKRXOK-UHFFFAOYSA-N 344.367 2.463 10 40 EECB COc1ccc(N2C(=O)/C(=C\N3CCN(C)CC3)SC2=S)cc1 20478181 XRRHAKFFBOAESO-SDNWHVSQSA-N 349.481 2.149 10 40 EECB C[C@@H]1O[C@@H](Nc2ccc(/N=N/c3ccccc3)cc2)[C@H](O)[C@H](O)[C@H]1O 18067622 XGASUXNFWLJGAS-FQCUVGKBSA-N 343.383 2.341 10 40 EECB C/C(=C\C(=O)NCc1ccc(N2CCNC(=O)C2)c(F)c1)C(C)(C)C 80274215 FBJYYOHGNGNKIM-UKTHLTGXSA-N 347.434 2.371 10 40 EECB CN(C)S(=O)(=O)c1ccccc1CNCc1ccc2c(c1)CCO2 40154941 YMEMXAXWGRMIPM-UHFFFAOYSA-N 346.452 2.162 10 40 EECB O=C1CN(c2ccc(CNC(=O)c3cc4ccccc4[nH]3)cc2)CCN1 32923114 BALXOJYOIHDQDH-UHFFFAOYSA-N 348.406 2.034 10 40 EECB COc1cc(/C=C2\SC(N3CCCC3)=NC2=O)cc(OC)c1O 8569666 DUYSFDKPWWKFLH-LCYFTJDESA-N 334.397 2.476 10 40 EECB CC(C)[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCS1 72305251 OGJPCOSDAIYPOI-KRWDZBQOSA-N 335.517 2.442 10 40 EECB COc1ccc(/C=C/C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1O 14774636 DAFPSPBZCRCOAU-XVNBXDOJSA-N 344.319 2.251 10 40 EECB biogenic,in-vitro CC(=O)N[C@]1(C)C[C@@H](c2cccc(O)c2O)O[C@@H]2[C@H]1CC=C(C)[C@H]2O 257224600 FCMZZKPYOIYEHB-MWMOWRLXSA-N 347.411 2.150 10 40 EECB COC(=O)CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S 4263403 INTNBKJLBPMBOU-XFXZXTDPSA-N 337.422 2.460 10 40 EECB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc[nH]3)C(=O)NC2=S)c1 101183128 CWZQONASUQXPKT-LCYFTJDESA-N 325.393 2.463 10 40 EECB COc1ccc(N2CCN(C(=O)C[C@H]3CCCNCC3)CC2)cc1F 583623910 XLDGEEFYNUMDLE-HNNXBMFYSA-N 349.450 2.263 10 40 EECB OCC[C@H]1CN2CCC[C@H]2CN1Cc1ccc(N2CCCC2)c(F)c1 19292834 FHGVUUJKYSIBDB-ROUUACIJSA-N 347.478 2.457 10 40 EECB CC(=O)Nc1cc(/N=N\c2ccc(N)cc2N)cc(S(=O)(=O)O)c1 100368822 VEXXCIOSFSLTGM-HNENSFHCSA-N 349.372 2.472 10 40 EECB CC(C)CN/C=C1\C(=O)NC(=S)N(CCC2=CCCCC2)C1=O 6364234 HDARWDRWTSKMIZ-SDNWHVSQSA-N 335.473 2.250 10 40 EECB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 408943170 YIZXSZROXBHHRT-SDNWHVSQSA-N 325.393 2.339 10 40 EECB COc1cc(/C=C2\C(=O)NN(c3ccc(F)cc3)C2=O)ccc1O 368322 HBTIKVXUDNJXNP-MDWZMJQESA-N 328.299 2.001 10 40 EECB C[C@H](NC[C@@H]1CNc2ccnn2C1)c1ccc(N2CCOCC2)cc1 58299750 FSLVMQDJAPGDMI-JKSUJKDBSA-N 341.459 2.112 10 40 EECB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1C(C)(C)C 408959949 BACGAXCIUINQJC-UHFFFAOYSA-N 333.457 2.459 10 40 EECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(C)cc(C)c1 102675817 VHFKZYZRTVMCOQ-AVIKPIRVSA-N 347.440 2.004 10 40 EECB COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O 20646654 SAYBSJKIVVHQAP-UHFFFAOYSA-N 339.775 2.238 10 40 EECB OC[C@H](O)CNCCNc1c2ccccc2nc2cc(Cl)ccc12 4748031 ISXDWEALWKYJEF-CYBMUJFWSA-N 345.830 2.396 10 40 EECB COc1ccc(N2CCN(C(=O)Nc3cccnc3OC)CC2)cc1 59938807 BUXMKSJQKWPHHL-UHFFFAOYSA-N 342.399 2.453 10 40 EECB c1cn2c(n1)[C@@H](CNCc1ccc(N3CCOCC3)cc1)CCC2 89787902 BMVDGRQLAAICGT-QGZVFWFLSA-N 326.444 2.387 10 40 EECB CCO/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1CC(=O)OC 10493873 DREBXBZSDLRMNK-WJDWOHSUSA-N 332.356 2.271 10 40 EECB CCOCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 69416876 FGLSKUHJWAXNON-UHFFFAOYSA-N 328.359 2.410 10 40 EECB COc1ccc(N2CCN(C[C@H](O)CO[C@H]3CCC[C@H]3C)CC2)cc1 245228869 HXEMNXHJEFXNHD-KPFFTGBYSA-N 348.487 2.383 10 40 EECB Oc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1 20729609 UFMXOJNUTWKKDC-SFHVURJKSA-N 329.352 2.248 10 40 EECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cccs1 308808 KJZKBSOEYAJTRZ-XFFZJAGNSA-N 342.332 2.143 10 40 EECB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(O)cc1 120697 ZMABZAJKQAKIRW-CCAPLTMGSA-N 343.379 2.244 10 40 EECB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 10113275 GALSWVVYRUHFAZ-UHFFFAOYSA-N 341.367 2.361 10 40 EECB COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 13510886 AGZPIAFUAOPTCR-LFIBNONCSA-N 336.347 2.357 10 40 EECB COc1ccc(O)c(CNC(=O)c2ccc(OC)c(OC)c2OC)c1 69777457 OVNREEIKFIMPJB-UHFFFAOYSA-N 347.367 2.357 10 40 EECB O=C1N=C(N2CCOCC2)S/C1=C\C1=Cc2ccccc2OC1 80584 GCGRCTVWLSKSEZ-GDNBJRDFSA-N 328.393 2.308 10 40 EECB CCCCCC([C@H]1SC(=S)NC1=O)[C@H]1SC(=S)NC1=O 5782413 NVDSHKQHDGYWIO-HTQZYQBOSA-N 348.540 2.216 10 40 EECB CCCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1C 5263897 JHQLUQNCVPPEAG-UHFFFAOYSA-N 332.429 2.415 10 40 EECB CN(C)c1ccc(CNC(=O)Cn2ccc(=O)c3ccccc32)cc1 83854287 ITVPPDWNJHEPLO-UHFFFAOYSA-N 335.407 2.384 10 40 EECB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)OC)C2=O)cc1 32708031 ZCHFCTSNSZPMEI-XYOKQWHBSA-N 337.422 2.460 10 40 EECB O=C(O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1793531 GCQMLHMGQXHCDM-WDZFZDKYSA-N 337.378 2.091 10 40 EECB CCC1=C(C(=O)OC)[C@H](c2ccc(N(C)C)cc2)n2ncnc2N1 6721137 YCFGPJAUTPSCFE-HNNXBMFYSA-N 327.388 2.196 10 40 EECB COCC(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 58279689 BFSKYUVFRRMTIF-NSHDSACASA-N 332.322 2.174 10 40 EECB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc3c(c1)OCCO3)C(=O)C2=O 100629228 TVHUCPYFHSMSDL-RTBURBONSA-N 343.379 2.361 10 40 EECB O=C1N=C(O)/C(=C\NC[C@H]2CCCO2)C(=O)N1CCC1=CCCCC1 103105679 CMKBJZFOQVSMLE-FQZGENGWSA-N 347.415 2.448 10 40 EECB COc1cccc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 75127591 JWDSMUWBKDYKRC-LLVKDONJSA-N 344.367 2.225 10 40 EECB COc1ccc(N2N=C(C)/C(=C(\C)NC[C@@H]3CCCO3)C2=O)cc1 100422798 KELQBKCVJWECBM-BQGMYUGNSA-N 329.400 2.460 10 40 EECB Cc1ccc(C(=O)N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)o1 69704038 QVEVCHCJIJNHKF-UHFFFAOYSA-N 345.355 2.160 10 40 EECB C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)N1CCCC[C@@H]1C 69703247 GGOAHEQEVWMTQO-GJZGRUSLSA-N 346.475 2.341 10 40 EECB O=c1c(O)coc(CO)c1[C@H](Nc1ccccn1)c1ccccc1O 20494704 LWUBVLYIBYITIY-QGZVFWFLSA-N 340.335 2.140 10 40 EECB CN(C)CCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 5235954 UDGUMXBASDHKRF-XFXZXTDPSA-N 332.454 2.326 10 40 EECB COc1ccc(N(CCC(N)=O)CC(=O)N(C(C)C)C(C)C)cc1 22012759 YCCCQAFYDFSRCI-UHFFFAOYSA-N 335.448 2.022 10 40 EECB CC1(C)CC(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)CC(C)(C)N1 1777740 XGIZGPPIDPEERR-VQTJNVASSA-N 348.487 2.376 10 40 EECB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccccc1O 38160027 CNUMNJCGQABUAA-CVTQAYBASA-N 337.339 2.341 10 40 EECB COc1ccc(O)c([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)c1 373434 GEASHTWHQMUMIT-AWEZNQCLSA-N 336.413 2.145 10 40 EECB Cc1cccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C 408547036 GWUPYWWERBUHLC-ZROIWOOFSA-N 339.351 2.471 10 40 EECB CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(C)c(C)cc2O)CC1 44758103 AEBOVHRGVYMUGP-MRXNPFEDSA-N 333.476 2.041 10 40 EECB CCN(CC)c1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1 9295576 MYVHXMRTZCFSIZ-JXMROGBWSA-N 330.344 2.400 10 40 EECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Cl)s1 409390598 GBATYAHBLVLMKD-JXMROGBWSA-N 333.756 2.463 10 40 EECB COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C)SC1=S 9024929 BVUUOYQTIQRNRD-GFCCVEGCSA-N 338.454 2.199 10 40 EECB COc1ccc([N+](=O)[O-])cc1/C=C1\C(=N)N2N=C(C)SC2=NC1=O 4599581 UBCGDDBTJUJRPG-AWCBUHMASA-N 345.340 2.242 10 40 EECB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccc(O)cc1 5552825 SFQMHPJECWMHHR-WQLSENKSSA-N 345.405 2.267 10 40 EECB CN1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S 51330820 YOQJUSICRWJLAG-QCDXTXTGSA-N 346.389 2.088 10 40 EECB COc1ccc(N2CCN(C(=O)c3cnn(C)c3Cl)CC2)cc1 96181088 CEQRWFRZFSELCL-UHFFFAOYSA-N 334.807 2.045 10 40 EECB CCS(=O)(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 96428645 MIKFOOXMIRTGCZ-LLVKDONJSA-N 334.388 2.196 10 40 EECB CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(C)C1=O 15012634 OSWPNBLXQMHTSF-UVTDQMKNSA-N 340.404 2.495 10 40 EECB Cc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 44717864 QCBWKGURNOPWLP-HNNXBMFYSA-N 346.452 2.259 10 40 EECB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/N1CCc2ccccc21 101653068 QMCYHAANYOUXGT-NTCAYCPXSA-N 339.395 2.344 10 40 EECB Cc1cc2oc(=O)c3c(c2c(O)c1CN1CCN(C)CC1)CCC3 22592043 RFBYUFSYLHWWMB-UHFFFAOYSA-N 328.412 2.043 10 40 EECB CCNc1nc(NCC)nc(NNC(=S)Nc2ccccc2)n1 73667113 YFBCKWJFISGJMI-UHFFFAOYSA-N 332.437 2.049 10 40 EECB Cn1ccnc1-c1nccnc1[C@@H]1CCCN(C(=O)c2cccnc2)C1 257304540 SMCUDZWFLPTXQC-OAHLLOKOSA-N 348.410 2.292 10 40 EECB CCN1C(=O)C(=Cc2ccc(NC(C)=O)cc2)C(=O)N(CC)C1=S 6274674 AJCLZJFYFKKXOI-UHFFFAOYSA-N 345.424 2.024 10 40 EECB O=C(NCc1ccc(N2CCOCC2)cc1)c1cccnc1S 54284556 ZGAKEMIHLSHCES-UHFFFAOYSA-N 329.425 2.137 10 40 EECB CC(=O)N1CC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 89937473 WMOYPTKLKMYPHX-KSSFIOAISA-N 349.450 2.009 10 40 EECB CC[C@@H](C)CN/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 1813145 OUKYIBJWALMXPZ-PEHNMLCRSA-N 335.791 2.442 10 40 EECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 1236358 DXRYHIVTXJZNBI-RILYUOAZSA-N 337.422 2.458 10 40 EECB C[C@H]1Cc2cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)ccc2O1 2358321 WYJABGHIMMJYBZ-UGZWPXFQSA-N 335.406 2.296 10 40 EECB C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2C(=O)O)SC1=S 5214747 UMLMEGCPKUHICP-VSUWBIFXSA-N 337.378 2.059 10 40 EECB COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1O 13343387 QDLPDGYOWIZQAQ-XFFZJAGNSA-N 339.394 2.077 10 40 EECB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)CC1 4862843 OIGLUCNIDIXAFI-GXDHUFHOSA-N 349.843 2.474 10 40 EECB NS(=O)(=O)c1ccc2c(c1)/C(=C\c1c[nH]c3ccccc13)C(=O)N2 38156114 AFTGOSQNWXOYGE-VGOFMYFVSA-N 339.376 2.308 10 40 EECB in-vitro NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccs3)cc2)C1 55916472 XNWUYZCWOCRISS-CQSZACIVSA-N 343.452 2.380 10 40 EECB O=C1/C(=C/NN2CCCCC2)C(O)=NC(=S)N1c1ccccc1 33930331 MJDHOWJDJCLESZ-ACCUITESSA-N 330.413 2.149 10 40 EECB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc2c(c1)OCO2 5977585 GFPQQGYERGPAKM-QPEQYQDCSA-N 329.352 2.496 10 40 EECB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NN1CCOCC1 13856401 IFGBTAIUMHRFMU-LGMDPLHJSA-N 346.406 2.439 10 40 EECB CC1=NN(c2ccc3nnc(C)n3n2)C(=O)/C1=C/Nc1ccccc1 36359635 BNIFFVADBVDUOX-GXDHUFHOSA-N 333.355 2.151 10 40 EECB Cn1ccnc1-c1nccnc1[C@H]1CCCN(C(=O)c2cccnc2)C1 257304539 SMCUDZWFLPTXQC-HNNXBMFYSA-N 348.410 2.292 10 40 EECB O=c1nc(Sc2ncc([N+](=O)[O-])s2)nc2ccc(Cl)cn12 17117921 SPFNZYVLICBSRO-UHFFFAOYSA-N 341.761 2.259 10 40 EECB CN1C(=O)C(=Cc2cccc(C(F)(F)F)c2)C(=O)N(C)C1=S 59139731 PZZCAJNXYNHRSE-UHFFFAOYSA-N 328.315 2.304 10 40 EECB O=C1N=C(O)/C(=C/NN2CCCCC2)C(=O)N1c1ccccc1F 9008082 GOOCFIWLGILKEU-KHPPLWFESA-N 332.335 2.123 10 40 EECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OC)cc1 59459800 VLTSQIXOPVUYNI-VBKFSLOCSA-N 345.395 2.404 10 40 EECB C[C@H]1Cc2cc(/C=C3/SC(N4CCOCC4)=NC3=O)ccc2O1 2436058 LEFDFUUXVVNGRB-KBVGCWLLSA-N 330.409 2.313 10 40 EECB CCN1CCN(C2=NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)CC1 19842091 OVTALRIRJWDNEG-GDNBJRDFSA-N 345.424 2.023 10 40 EECB CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 65578608 XZFLZOQDBWYEJC-CYBMUJFWSA-N 348.443 2.494 10 40 EECB Cc1ccc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n1C 75137910 JLMHMWQAVVTDJK-UXBLZVDNSA-N 339.439 2.500 10 40 EECB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 41091168 MZTLMRLIWUBTOP-UHFFFAOYSA-N 325.317 2.339 10 40 EECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccco3)C2=O)cc1 3189130 DCUHDHUBJICJRS-GXDHUFHOSA-N 326.308 2.345 10 40 EECB CCN(CC)c1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1 5311839 FUKWLEACPHNKBA-HNNXBMFYSA-N 333.457 2.499 10 40 EECB CN1C(=O)C(=CNc2cc(Cl)ccc2Cl)C(=O)N(C)C1=O 2550846 QYASPNHXJJFENL-UHFFFAOYSA-N 328.155 2.340 10 40 EECB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cccc(O)c1 101469855 UXXOUFNYSOXSGQ-FZFLATATSA-N 337.339 2.341 10 40 EECB O=C(CCc1ccc(O)c(O)c1)C[C@@H](O)CCc1ccc(O)c(O)c1 13377898 MVIYWFBLVAFZID-AWEZNQCLSA-N 346.379 2.395 10 40 EECB biogenic,in-vitro CC(=O)N1CC[C@@H](CN(C)C(=O)NCc2ccc(N(C)C)cc2C)C1 95438088 KWXAQVNQPLHDDI-INIZCTEOSA-N 346.475 2.071 10 40 EECB Cc1cc(N2CCCC2)ccc1C=C1C(=O)N(C)C(=O)N(C)C1=O 408959584 BKRBIBWOIFKNFM-UHFFFAOYSA-N 327.384 2.029 10 40 EECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(C)cc(C)c1 9423324 VHFKZYZRTVMCOQ-INQNZLQJSA-N 347.440 2.004 10 40 EECB CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](N=[N+]=[N-])[C@H]1OC(C)=O 4531096 VHHVICYKHBTEIE-IAODNVIUSA-N 349.343 2.083 10 40 EECB COC(=O)CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 4016406 YDZCQIMAACLIHK-UHFFFAOYSA-N 337.331 2.354 10 40 EECB CCN(CC)c1ccc(CNc2nc3c(cnn3C)c(=O)[nH]2)cc1F 66859963 ICHQUOIRYCBCTI-UHFFFAOYSA-N 344.394 2.254 10 40 EECB CCCN(Cc1ccccc1O)C(=O)c1cnc2ccccn2c1=O 79336385 RNZYQTLQBOXFIY-UHFFFAOYSA-N 337.379 2.453 10 40 EECB CC(=O)Oc1cccc2c1C(=O)[C@@H]1CC=C[C@H](OC(C)=O)[C@@H]1C2=O 96129937 NPMJTXFWZBYDJF-IVMMDQJWSA-N 328.320 2.115 10 40 EECB COc1ccc(N2CCN(Cn3nc(C)c([N+](=O)[O-])c3C)CC2)cc1 25499560 OTCADTZTPVWHOA-UHFFFAOYSA-N 345.403 2.196 10 40 EECB COc1cccc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c1O 13942837 IYDVHYBSQWPNII-QOWMEECXSA-N 348.424 2.480 10 40 EECB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\NC(=O)NC2=O)c1C 408811194 KQANFLAMSONVSV-AUWJEWJLSA-N 339.351 2.281 10 40 EECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccsc3)C2=O)cc1 5720502 LPBMAPCMRIIJQE-JYRVWZFOSA-N 328.349 2.423 10 40 EECB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/N1CCCCC1 408531943 PEVAGEBRVQLEQN-ZHACJKMWSA-N 333.775 2.293 10 40 EECB Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cnccc1C 96407045 GAQLXARTNGCSHY-UHFFFAOYSA-N 326.400 2.019 10 40 EECB CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 390833883 OKXRQQGJJCQSNM-UHFFFAOYSA-N 336.325 2.304 10 40 EECB O=C([C@@H](CNCc1ccccc1O)c1ccccc1)N1CCOCC1 78553704 AVCISVMWDPLMEN-SFHVURJKSA-N 340.423 2.124 10 40 EECB CCCCCCN/C=C1/C(=O)NC(=S)N(Cc2ccccc2)C1=O 101084384 QTYKCOAZVXDAQM-QINSGFPZSA-N 345.468 2.484 10 40 EECB CN1C(=O)C(=Cc2ccc(F)c(Br)c2)C(=O)N(C)C1=O 5059102 HDRIYOFPUDXUIZ-UHFFFAOYSA-N 341.136 2.022 10 40 EECB COC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O 1137064 OYYJPSGZQOSTFX-UVTDQMKNSA-N 346.408 2.496 10 40 EECB Cc1cccc(N2C(=O)N=C(O)/C(=C\NN3CCCCC3)C2=O)c1 1250012 HWWQUCRRKWJXOJ-SDNWHVSQSA-N 328.372 2.293 10 40 EECB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1O 987357 ILBDXQADUWUWAD-AWNIVKPZSA-N 330.727 2.213 10 40 EECB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCCO 100423192 GHEJMSNSBWISRL-LGMDPLHJSA-N 331.416 2.444 10 40 EECB OC[C@@H](O)CNCCNc1c2ccccc2nc2cc(Cl)ccc12 6583636 ISXDWEALWKYJEF-ZDUSSCGKSA-N 345.830 2.396 10 40 EECB CCN(C)c1ccc(CNC(=O)C2CCN(C(C)=O)CC2)cc1F 89960882 PJAJDODGLXVSKU-UHFFFAOYSA-N 335.423 2.157 10 40 EECB CN(C)c1ccc(CNC(=O)N2CCN(c3nccs3)CC2)cc1 10262670 JWXTYKGYFLBMJD-UHFFFAOYSA-N 345.472 2.241 10 40 EECB S=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccncc1 225422465 JGANQRNWRVHACQ-UHFFFAOYSA-N 328.441 2.405 10 40 EECB CN1C(=O)c2ccc(F)cc2O[C@H]2CN(Cc3ccccc3O)C[C@H]21 514288621 HQOLPKRKVWDAOP-QAPCUYQASA-N 342.370 2.249 10 40 EECB biogenic,in-vitro COc1cccc(-n2c(C)cc(C(=O)NC(C)(C)C(N)=O)c2C)c1 57256094 OMEZBSPXOIKPIX-UHFFFAOYSA-N 329.400 2.096 10 40 EECB O=C1N=C(N2CCOCC2)S/C1=C/c1c[nH]nc1-c1ccccc1 2690851 IJTIWTINIOYKPX-GXDHUFHOSA-N 340.408 2.379 10 40 EECB CCN(CC)c1ccc(CNC(=O)c2ccc(=O)n(C)c2)cc1F 66841183 TYMJIKJBGSWPED-UHFFFAOYSA-N 331.391 2.301 10 40 EECB C#CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1OC 34849035 BJMJRHMDHHFUIZ-SSZFMOIBSA-N 348.358 2.169 10 40 EECB COc1ccsc1S(=O)(=O)Nc1ccc(O)cc1C(C)=O 390834204 UMWZMUABMNWUEO-UHFFFAOYSA-N 327.383 2.466 10 40 EECB O=S(=O)(NCCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 5569999 IRHXHQSXFIBZLJ-UHFFFAOYSA-N 327.789 2.272 10 40 EECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(O)c3)C2=O)c1 5337755 RCAYMJYFJOFBHK-GDNBJRDFSA-N 337.335 2.279 10 40 EECB CC(=O)N1[C@H](C(=O)NC2CCCC2)CS[C@@H]1c1ccccc1O 4699308 VFNIRURYDWTBMY-WMLDXEAASA-N 334.441 2.414 10 40 EECB CN(C)c1ccc(CNC(=O)C[C@@H](NC(N)=O)c2cccs2)cc1 14527377 GKQLBEHQAKIIOW-CQSZACIVSA-N 346.456 2.230 10 40 EECB O=C1NC(=S)NC(=O)C1=Cc1cccc(OCc2ccccc2)c1 1621551 DQUXSZDWYRDPOJ-UHFFFAOYSA-N 338.388 2.180 10 40 EECB CC1(C)CC(NC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)CC(C)(C)N1 100629223 XGIZGPPIDPEERR-PMACEKPBSA-N 348.487 2.376 10 40 EECB COc1ccc(N(C)CC(=O)NC(=O)Nc2ccccc2)cc1OC 58162231 TUIUYBVZKOAZFJ-UHFFFAOYSA-N 343.383 2.488 10 40 EECB CCOc1cc(/C=C2\C(=O)NC(=O)N(C(C)(C)C)C2=O)ccc1O 13509979 ZTAOSBSMVITRRG-DHZHZOJOSA-N 332.356 2.051 10 40 EECB O=C1NC(=O)C(=CNc2nc3ccc4ccccc4c3s2)C(=O)N1 13999616 NISCBNLDTYQLSL-UHFFFAOYSA-N 338.348 2.111 10 40 EECB Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)no1 96411793 LGJFYSZBAIWIIG-UHFFFAOYSA-N 329.400 2.122 10 40 EECB c1cc(CNCc2ccc3c(c2)CCO3)cc(N2CCOCC2)n1 54174518 KNPIKOKSUAHMJT-UHFFFAOYSA-N 325.412 2.143 10 40 EECB COc1cccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1O 13350195 UGEFQNHZZUPLRB-YFHOEESVSA-N 339.394 2.077 10 40 EECB Oc1ccccc1[C@@H](c1cc2c(cc1O)OCO2)N1CCOCC1 31861158 ZTWUKTVOOCFFCZ-SFHVURJKSA-N 329.352 2.248 10 40 EECB COC(=O)[C@@H]1CCCN1C1CCN(Cc2cc(F)ccc2O)CC1 1615585918 NYMJTHBJPFPDCV-INIZCTEOSA-N 336.407 2.133 10 40 EECB CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C 5795139 KGFSJNVPIMNXMB-UVTDQMKNSA-N 329.352 2.166 10 40 EECB COc1ccc(N(C)Cc2nnnn2-c2ccccc2)cc1OC 58210294 MASCHLOUACKLEL-UHFFFAOYSA-N 325.372 2.316 10 40 EECB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N(C)C3CC3)sc2n1 63942710 QSXLGVFGMSDSLN-UHFFFAOYSA-N 333.413 2.273 10 40 EECB CCN1CCN(C2=NC(=O)/C(=C/c3cccc(OC)c3)S2)CC1 19842401 PHIIWAOWXIUNPB-QINSGFPZSA-N 331.441 2.303 10 40 EECB CCN1C(=O)C(=Cc2ccc(OC)cc2OC)C(=O)N(CC)C1=S 66285 SUMARAKJUKLYDP-UHFFFAOYSA-N 348.424 2.083 10 40 EECB COc1ccc(N2CCCN(C(=O)c3ccc(OC)nc3)CC2)cc1 55877950 WJQXBACTLZKYJE-UHFFFAOYSA-N 341.411 2.451 10 40 EECB Oc1ccc([C@@H](Nn2cnnc2)c2cc(Cl)ccc2O)c(O)c1 6321277 IKYDHHUYAHNMBD-OAHLLOKOSA-N 332.747 2.381 10 40 EECB CCOc1ccc(N/C=C2/C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1 5100561 ILLBGDBGGTUGGV-RAXLEYEMSA-N 331.372 2.258 10 40 EECB COC(=O)c1ccccc1NC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C 6624221 UEQXUPOXKONLOJ-MOPGFXCFSA-N 343.379 2.376 10 40 EECB COc1ccc(N(C)Cc2nnnn2-c2ccccc2)c(OC)c1 95973204 QCJRZELGWKRRFP-UHFFFAOYSA-N 325.372 2.316 10 40 EECB Cc1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)c1C 4704225 VTLXBGQLAVWEKU-UHFFFAOYSA-N 337.379 2.460 10 40 EECB COc1ccc(N2CCN(C(=O)NCCCOC(C)C)CC2)cc1 69348555 IZJAKRZJLNSMES-UHFFFAOYSA-N 335.448 2.342 10 40 EECB CCN1C(=O)/C(=C/c2cc(C)n(CCOC)c2C)C(O)=NC1=S 6950821 BHXNITIOKANZDS-UKTHLTGXSA-N 335.429 2.238 10 40 EECB CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 7908279 IYFTYTIJJCDLCC-UHFFFAOYSA-N 348.424 2.002 10 40 EECB O=C(/C=C/c1cccs1)NCc1ccc(N2CCNC(=O)C2)cc1 36392478 TULLYIKSDUWHSR-BQYQJAHWSA-N 341.436 2.014 10 40 EECB COCCOCCCNC(=O)/C=C/c1ccc2c(c1)CCCN2C 61367243 RRSYLCLUWDDLNN-VQHVLOKHSA-N 332.444 2.252 10 40 EECB Cn1cc(-c2csc(NS(=O)(=O)c3cccc(F)c3)n2)cn1 96433496 FAQPGOPCWVUFGP-UHFFFAOYSA-N 338.389 2.484 10 40 EECB COc1cc(Br)cc(CN2CC[C@H](N)C[C@@H]2C)c1O 97095759 UBPAARONCGZSRS-CABZTGNLSA-N 329.238 2.475 10 40 EECB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1 13124443 ZJQSYMCEKYUWQZ-OAHLLOKOSA-N 327.388 2.196 10 40 EECB COc1ccc(-n2nnnc2CNC(=O)Nc2cccs2)cc1 9571365 STUPDMGBNCVVSN-UHFFFAOYSA-N 330.373 2.054 10 40 EECB COc1cc(/C=C2/SC(=S)NC2=O)cc(OC)c1OC(C)=O 59418009 DTBFYFWCTYXRIE-IZZDOVSWSA-N 339.394 2.118 10 40 EECB CC(=O)Nc1cc(N=Nc2ccc(N)cc2N)cc(S(=O)(=O)O)c1 3844901 VEXXCIOSFSLTGM-UHFFFAOYSA-N 349.372 2.472 10 40 EECB biogenic COc1cccc(OCC(=O)c2ccc(O)c(CN(C)C)c2O)c1 23135291 OMCVIAJBIOEFPA-UHFFFAOYSA-N 331.368 2.430 10 40 EECB biogenic COc1ccc(OCCN(CCC(N)=O)c2ccc(OC)cc2)cc1 12539186 GDCZESANYNMJRB-UHFFFAOYSA-N 344.411 2.465 10 40 EECB CC(=O)c1cc(F)cc(CN(CC(N)=O)Cc2ccccc2)c1O 72312092 OSEZPPVNESWTRA-UHFFFAOYSA-N 330.359 2.221 10 40 EECB COc1ccc(CN[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C 76020633 HSHRVYKLPQFVTI-FUHWJXTLSA-N 346.383 2.096 10 40 EECB O=C1/C(=C/c2cccnc2)SC(=S)N1C1=C[C@@H]2OCO[C@@H]2C=C1 26771493 PXMBMNUNRHBUDY-QWXIZGFTSA-N 344.417 2.478 10 40 EECB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc3c(c1)OCO3)C(=O)C2=O 100621987 SXADCOGHYQGTKC-QZTJIDSGSA-N 329.352 2.318 10 40 EECB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC1CC1 4999635 XOTUQZFSUMJZQT-YBEGLDIGSA-N 331.347 2.117 10 40 EECB COc1ccc(-n2nnnc2CNC(=O)Nc2cccc(C)c2)cc1 9571346 WTNJJGILKMMZHG-UHFFFAOYSA-N 338.371 2.301 10 40 EECB C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(N2CCN(C)CC2)c(F)c1 55510915 RBXPZQLMDYXCEE-GOEBONIOSA-N 349.450 2.324 10 40 EECB CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C 58770320 RUIYNBGLQFZMAF-SFHVURJKSA-N 343.471 2.476 10 40 EECB CC(=O)N1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 3343743 DZQHAFVPXLLNAK-UHFFFAOYSA-N 325.412 2.398 10 40 EECB CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1-n1ccnn1 195579141 JTCCRZHBJBNMIV-UHFFFAOYSA-N 349.394 2.373 10 40 EECB COc1ccc(N2CCCN(c3ncnc4c3cnn4C)CC2)cc1 52511629 YEUUBFSLNLKISE-UHFFFAOYSA-N 338.415 2.089 10 40 EECB CN(C)c1ccc([C@H](CNC(=O)C2CCCC2)N2CCOCC2)cc1 22664774 MPAYHDOFUAMUQJ-IBGZPJMESA-N 345.487 2.432 10 40 EECB O=C1/C(=C\[C@H]2CC=CCC2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 33409047 VBZDNIQQRWGYJF-BEICOJSVSA-N 343.495 2.274 10 40 EECB CC(=O)N1CCC(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 44915087 SBVVZZMUJIRWHW-UHFFFAOYSA-N 340.427 2.230 10 40 EECB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc2c(c1)OCO2 9088295 BYMDGIBYUQZMPB-JYRVWZFOSA-N 342.351 2.210 10 40 EECB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCC(C)C 9356319 OFGWZIAFPSZGFL-LGMDPLHJSA-N 329.400 2.472 10 40 EECB COc1cc(N2N=C(C)/C(=C/N3CCOCC3)C2=O)ccc1Cl 408537131 ZGILNQIBBINEQK-RAXLEYEMSA-N 335.791 2.287 10 40 EECB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 4457142 GVFFHOHUGGYMHG-QQMDNXKGSA-N 334.397 2.350 10 40 EECB CCCCN1C(=O)/C(=C\c2nc3ccccc3[nH]2)C(=O)N=C1S 6783090 HEYWPQQOXFQVQF-KTKRTIGZSA-N 328.397 2.401 10 40 EECB CCCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCC 409407287 FBLRUIQGIJQIRK-UHFFFAOYSA-N 332.356 2.014 10 40 EECB COc1cc(-c2cc(-c3cccc(O)c3O)nn2CCO)ccc1O 257341171 ZJCOKDNADZOXQI-UHFFFAOYSA-N 342.351 2.335 10 40 EECB CC(C)[C@H](C)NC(=O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 65578612 XZFLZOQDBWYEJC-ZDUSSCGKSA-N 348.443 2.494 10 40 EECB O=c1cc(CN2CCC[C@H](n3cccn3)C2)c2cc(O)c(O)cc2o1 97376410 POFCRJLGZWCONL-ZDUSSCGKSA-N 341.367 2.238 10 40 EECB CN(C)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=N)c(O)c1 16186299 QASLOYAEBRMYJG-GZKNEDAGSA-N 332.429 2.211 10 40 EECB O=C(CCc1ccc(O)c(O)c1)CC[C@H](O)Cc1ccc(O)c(O)c1 31169862 NOFGKTVEZONBCG-HNNXBMFYSA-N 346.379 2.395 10 40 EECB biogenic,in-vitro O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1 408947321 BYYYWSOJEBOUQJ-MDWZMJQESA-N 336.303 2.082 10 40 EECB Cc1c(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cnn1C 585140000 VXFSLDYQDKLFQV-UHFFFAOYSA-N 348.472 2.197 10 40 EECB CCn1nc(C)c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1C 27983056 ZZVQUQVWZOIUBY-UHFFFAOYSA-N 342.443 2.491 10 40 EECB c1ccc2c(c1)OC[C@H](CNCc1ccc(N3CCOCC3)cc1)O2 12543931 NEIYIHHYDSJTBO-SFHVURJKSA-N 340.423 2.453 10 40 EECB O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(O)c(O)c1 97235068 OZPCMDBWWUGBRJ-GFCCVEGCSA-N 334.322 2.385 10 40 EECB Cc1cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc(C)n1 44978876 KXYSXWJNILXPMQ-INIZCTEOSA-N 339.443 2.407 10 40 EECB Cn1cc(-c2csc(NS(=O)(=O)c3cccs3)n2)cn1 76068594 ZMEXGVVSMFLSNF-UHFFFAOYSA-N 326.428 2.406 10 40 EECB COc1ccc(N2CCCN(CC(=O)Nc3ccncc3)CC2)cc1 96403659 KRBMLFCIIKHEKX-UHFFFAOYSA-N 340.427 2.241 10 40 EECB COc1cc(OC)c(OC)cc1C=C1C(=O)OC2(CCCC2)OC1=O 382154 GIJLQRFKIBMSPK-UHFFFAOYSA-N 348.351 2.466 10 40 EECB CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCc3ccccc32)c1 55163546 FDGCWNOCSDGADI-OAHLLOKOSA-N 346.408 2.181 10 40 EECB COc1cc([C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC 4044270 FLBYWUCSQUTDBU-KRWDZBQOSA-N 331.368 2.359 10 40 EECB biogenic COc1ccc(N2CCC(NC(=O)NC[C@H]3CCCO3)CC2)cc1 69632719 NDJOVUBADIQOAI-QGZVFWFLSA-N 333.432 2.142 10 40 EECB Cc1nc2c(c(=O)[nH]1)CN(Cc1ccc(N3CCCC3)c(F)c1)CC2 12117858 USDIVPOSMXLJKM-UHFFFAOYSA-N 342.418 2.376 10 40 EECB O=C1CN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)CCN1 40519958 JIKFZYSEFBJQIJ-UHFFFAOYSA-N 343.814 2.206 10 40 EECB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC 573031 DSNHFSNJHQLOQO-MJWAUXSNSA-N 348.424 2.129 10 40 EECB O=C1/C(=C\c2ccccn2)SC(=S)N1CCCN1CCOCC1 12953494 MVDWQAGHCYLWKU-WYMLVPIESA-N 349.481 2.005 10 40 EECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1c[nH]c2ccccc12 409390647 GJOKHSVURMPHFO-NTEUORMPSA-N 332.319 2.229 10 40 EECB O=C(O)CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 1776537 VCZLMXPUUYHQPB-YFHOEESVSA-N 338.366 2.271 10 40 EECB O=C1N=C(N2CCOCC2)S/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 8843424 NIMLOOAJTILLAO-TVZYSNLZSA-N 345.380 2.454 10 40 EECB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)cc1 4723769 PYMMTYDMWLMNHF-RIYZIHGNSA-N 342.351 2.363 10 40 EECB CCOc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OC 543826 YTMGRIURDZMZHG-PTNGSMBKSA-N 348.424 2.396 10 40 EECB CN(C)c1ccc(CNC(=O)NC[C@@H](O)c2ccccc2F)cc1 32826200 LPNLCYSRTSYBIK-QGZVFWFLSA-N 331.391 2.425 10 40 EECB COc1ccc(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)cc1 27982753 SJNDOYNWWVFSAX-UHFFFAOYSA-N 328.416 2.008 10 40 EECB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 89948925 NDTTYKHHJFSVSY-QUCCMNQESA-N 345.487 2.260 10 40 EECB CC(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 604404455 HHOHIRPTHXYFET-UHFFFAOYSA-N 332.359 2.349 10 40 EECB biogenic NC(=O)c1cc(C2=NN=C(NCc3ccccc3)SC2)ccc1O 12805344 MRZWUPHRMKZAJN-UHFFFAOYSA-N 340.408 2.088 10 40 EECB c1cn2c(n1)[C@H](CNCc1ccc(N3CCOCC3)cc1)CCC2 89787901 BMVDGRQLAAICGT-KRWDZBQOSA-N 326.444 2.387 10 40 EECB COc1ccc(-n2nnnc2CSCCn2cc(C)cn2)cc1 252490821 LCERRQPUJSQFPH-UHFFFAOYSA-N 330.417 2.109 10 40 EECB COc1ccnc(NCc2ccc(N3CCC(CO)CC3)cc2)n1 52446602 VHHWJXGHXRVMIX-UHFFFAOYSA-N 328.416 2.306 10 40 EECB COc1ccc(NS(=O)(=O)c2cccc3nonc23)cc1OC 414675 CMVQSIBNVXKEAY-UHFFFAOYSA-N 335.341 2.041 10 40 EECB CC(C)n1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 96405855 IBBCUQIITRQVDI-UHFFFAOYSA-N 346.406 2.370 10 40 EECB COC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(N)c1 225442724 KDOBYJGLEAYTCA-UHFFFAOYSA-N 341.411 2.391 10 40 EECB Cc1cc(C(=O)N2CCNC(=O)CC2)c(C)n1-c1ccccc1F 65902553 YNCPZHDTCJIXHC-UHFFFAOYSA-N 329.375 2.195 10 40 EECB CS(=O)(=O)C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 154976022 KYXDBKYUSTUHFP-QGZVFWFLSA-N 331.437 2.497 10 40 EECB C[C@@H]1Cc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)ccc2O1 16810394 WYJABGHIMMJYBZ-VNUQYUTRSA-N 335.406 2.296 10 40 EECB Cc1cc(N(Cc2ccccc2O)C[C@@H]2CCCO2)n2ncnc2n1 89595990 RMYDQBNQUPTDFM-HNNXBMFYSA-N 339.399 2.324 10 40 EECB Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1C 96410508 OUCZNZUMSYYOLD-OAHLLOKOSA-N 329.400 2.256 10 40 EECB COc1ccccc1N1C(=O)/C(=C/c2ccc[nH]2)C(=O)N=C1S 1251954 YSFXISXWZCJMKE-PKNBQFBNSA-N 327.365 2.266 10 40 EECB Cc1cc(C(=O)CSc2nnc(N)[nH]2)c(C)n1-c1ccccn1 8486442 ABPMQXQSXUNFBD-UHFFFAOYSA-N 328.401 2.164 10 40 EECB Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCN(C(N)=O)CC1 69703737 WGMNXIVEZBQTBS-UHFFFAOYSA-N 346.456 2.382 10 40 EECB C[C@@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 71796090 VVJCHPWLNLPPQZ-QAPCUYQASA-N 347.459 2.405 10 40 EECB CCCN1C(=O)/C(=C/N[C@@H](C)CCc2ccccc2)C(=O)NC1=S 105490540 SVHQXYJBWWRQGC-UESPBHMZSA-N 345.468 2.135 10 40 EECB O=C1N=C(O)/C(=C\NN2CCCCC2)C(=O)N1c1ccccc1F 1242288 GOOCFIWLGILKEU-ZHACJKMWSA-N 332.335 2.123 10 40 EECB COc1ccc(N2CCCN(C(=O)[C@@H](C)n3cccn3)CC2)cc1 55878260 MVFCAANWZXSCPS-OAHLLOKOSA-N 328.416 2.192 10 40 EECB Cc1ccc(N2C(=O)/C(=C/c3cccn3C)C(=O)NC2=S)c(C)c1 409107727 QGNYAUJDOLRCLB-GXDHUFHOSA-N 339.420 2.473 10 40 EECB COc1ccc(N2CCN(CNC(=O)c3ccccc3)CC2)cc1 19556574 RTRVKKWNLJECCI-UHFFFAOYSA-N 325.412 2.205 10 40 EECB CCSc1cncc(NCc2ccc(N3CCNC(=O)C3)cc2)n1 95392613 SZRILBXFIICZKN-UHFFFAOYSA-N 343.456 2.137 10 40 EECB CCn1nccc1/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 95435235 ATSGTBHREJKTPD-RMKNXTFCSA-N 340.427 2.274 10 40 EECB C[C@@H](N/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O)c1ccccc1 408547115 ZSKLJFZTHAIDQT-DYTQJMLRSA-N 339.351 2.093 10 40 EECB CC[C@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 44490 PKGPMKGQIZBWIX-AWEZNQCLSA-N 331.368 2.330 10 40 EECB Cc1ccc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cc1C 42079672 PWWPAIYAOKNLPG-UHFFFAOYSA-N 337.423 2.170 10 40 EECB Cc1ccc(C)c(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 109115253 YMLBPQFTGXZOIX-ZROIWOOFSA-N 339.351 2.471 10 40 EECB NC(=O)CN(/N=N/c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 4180455 YQJAREMLLLBIFB-WUKNDPDISA-N 344.287 2.494 10 40 EECB COCCCNC(=O)C1CCN(Cc2cc(C)c(C)cc2O)CC1 55034686 RYYZIGYXHYPLMI-UHFFFAOYSA-N 334.460 2.374 10 40 EECB COc1ccccc1N1C[C@H](C(=O)NCc2ccccc2O)CC1=O 58216741 XKHRNIBRTUYIPV-CQSZACIVSA-N 340.379 2.070 10 40 EECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(C)C 96193595 YDPUEJBCVAQCPD-UHFFFAOYSA-N 348.424 2.034 10 40 EECB COc1ccc(N2CCC(NC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 69846206 UXIAFLKZFUMYHC-GJZGRUSLSA-N 347.459 2.483 10 40 EECB Cc1cc2n(n1)C[C@H](CNCc1ccc3c(c1)CCCN3C)CN2 58294393 AHIBNEHBXNMJGP-MRXNPFEDSA-N 325.460 2.405 10 40 EECB O=C(O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1F 7052012 YDLGHFLMZUCCBI-UHFFFAOYSA-N 339.300 2.053 10 40 EECB COc1cccc([C@@H](O)C(=O)NCc2ccc(N(C)C)cc2C)c1 96487063 ZGJXKPHCINPXSB-GOSISDBHSA-N 328.412 2.419 10 40 EECB CSc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C=C(C(=O)O)N2 102334226 XETPDRKOWCQWHF-LBPRGKRZSA-N 331.401 2.049 10 40 EECB CCN1/C(=C2/SC(=S)N(CC(=O)O)C2=O)Cc2ccccc21 103647410 XVXODIADOWOGFU-ACCUITESSA-N 334.422 2.226 10 40 EECB C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccc(N(C)C)c(F)c1 58290524 WQTPKULRMRBPQA-NSHDSACASA-N 349.431 2.388 10 40 EECB COCCCN1C(=O)/C(=C\c2cccc(OC)c2)C(C(=O)OC)=C1C 4169919 FMVVQPDAKRYOSS-VBKFSLOCSA-N 345.395 2.404 10 40 EECB CCOc1cc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])cc1OCC 5688270 MCJFHOKKUAHQRO-UHFFFAOYSA-N 337.376 2.094 10 40 EECB CCC12CN3CC(CC)(CN(C1)C3c1cccc(OC)c1O)C2O 19320195 IVSNBUZPJWVRIY-UHFFFAOYSA-N 332.444 2.198 10 40 EECB biogenic Cc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)c1 408547083 SRESPTNXWTXYKQ-ZROIWOOFSA-N 339.351 2.471 10 40 EECB C[C@H]1CCc2cc(F)ccc2N1C=C1C(=O)N(C)C(=S)N(C)C1=O 98086679 YXQIRSPGPWWQFI-JTQLQIEISA-N 347.415 2.066 10 40 EECB C[C@H](CN1CCCC1=O)NC(=O)/C=C/c1ccc2c(c1)CCCN2C 58392945 WZJPHEKPHALAMW-TUPIDYKKSA-N 341.455 2.209 10 40 EECB CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 96404125 WHIUQBXCHMCRCN-GOSISDBHSA-N 349.450 2.153 10 40 EECB C[C@@H](CN1CCCC1=O)NC(=O)/C=C/c1ccc2c(c1)CCCN2C 58392944 WZJPHEKPHALAMW-HQPKTYMTSA-N 341.455 2.209 10 40 EECB COc1ccc(N2CCC(NC(=O)c3cccnc3OC)CC2)cc1 69389645 ONMXISKGZOCRIY-UHFFFAOYSA-N 341.411 2.498 10 40 EECB COc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c([N+](=O)[O-])c1 4710033 IXJIYROTDNXQGQ-UHFFFAOYSA-N 333.388 2.442 10 40 EECB CC(=O)N1[C@@H](C(=O)N2CCCCC2)CS[C@@H]1c1ccccc1O 4699299 FNTXAWXJOBOBSX-RHSMWYFYSA-N 334.441 2.367 10 40 EECB CN(C)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1[N+](=O)[O-] 59489893 VDFLLTDQZAQOTN-UHFFFAOYSA-N 346.339 2.415 10 40 EECB O=C(O)CN1C(=O)/C(=C/c2cc3ccccc3oc2=O)SC1=S 409338097 CZTYLWABPDPHEH-WDZFZDKYSA-N 347.373 2.079 10 40 EECB COc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12 5845700 XCIIYQHJFSLOSD-UHFFFAOYSA-N 338.411 2.270 10 40 EECB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccccc1O 5552819 SIBQZZWTZOTEAI-WQLSENKSSA-N 345.405 2.267 10 40 EECB COc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1OC 5175343 RYRVCMJKKDICIO-UHFFFAOYSA-N 327.292 2.203 10 40 EECB CS(=O)(=O)N[C@H]1CCCN(Cc2c(O)ccc3ccccc23)C1 54468690 UXNUQIMRPHCZQC-AWEZNQCLSA-N 334.441 2.059 10 40 EECB Cc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 44717866 QCBWKGURNOPWLP-OAHLLOKOSA-N 346.452 2.259 10 40 EECB Cc1cc(CNC(=O)CS(=O)(=O)C2CCCC2)ccc1N(C)C 71896287 WNVFIUHIAGQQRB-UHFFFAOYSA-N 338.473 2.035 10 40 EECB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1N1CCCCC1 408915828 ZTIOVAZYSDWPML-SDNWHVSQSA-N 343.452 2.242 10 40 EECB CCn1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cn1 585139618 XRBGNAZXPHQHGB-UHFFFAOYSA-N 348.472 2.372 10 40 EECB O=S(=O)(Nc1ccc2nccnc2c1)c1cccc2nsnc12 47211483 SUXFBDASDNPURM-UHFFFAOYSA-N 343.393 2.435 10 40 EECB Cc1ccc2cc(O)cc(C(=O)NN3C(=O)CSC3=S)c2c1 28629020 IGCNNGKALIRFGH-UHFFFAOYSA-N 332.406 2.359 10 40 EECB Cc1cc(C)n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2n1 23584948 LCKBFTWNUHWZOQ-UHFFFAOYSA-N 330.369 2.127 10 40 EECB CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)cc1 59427069 JQUWDTCLARPKRY-SXGWCWSVSA-N 339.351 2.200 10 40 EECB C[C@H]1CC(C)(C)N(C)c2ccc(C=C3C(=O)NC(=O)NC3=O)cc21 113774022 HRBDSAMIPUKELJ-JTQLQIEISA-N 327.384 2.158 10 40 EECB COc1ccc(N2CCN(CCNC(=O)c3cccs3)CC2)cc1 56997194 IIMWWOYHOAPQRV-UHFFFAOYSA-N 345.468 2.309 10 40 EECB CN1C(=O)C(=CC2=Cc3cc(Cl)ccc3OC2)C(=O)N(C)C1=O 11284927 IGXWFZVSUQIQGX-UHFFFAOYSA-N 332.743 2.093 10 40 EECB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 95426753 FFTZQFRPIJUILP-ZFWWWQNUSA-N 348.443 2.041 10 40 EECB O=C(C[C@H]1SC(=S)NC1=O)Nc1c(F)c(F)cc(F)c1F 34926884 WCQUGVJHMGCSEY-RXMQYKEDSA-N 338.307 2.088 10 40 EECB C[C@H](NC[C@H]1CNc2ccnn2C1)c1ccc(N2CCOCC2)cc1 58299757 FSLVMQDJAPGDMI-HOTGVXAUSA-N 341.459 2.112 10 40 EECB C[C@H]1Cc2cc(/C=C3\SC(N4CCOCC4)=NC3=O)ccc2O1 16810435 LEFDFUUXVVNGRB-SAIXKJTDSA-N 330.409 2.313 10 40 EECB Cn1cc(/C=C2/SC(N3CCOCC3)=NC2=O)c2ccccc21 526755 VXJXFQHAQUSADA-XNTDXEJSSA-N 327.409 2.481 10 40 EECB Cc1cc(C(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)c(C)n1C 7382690 SGGLICOXKFDGBX-UHFFFAOYSA-N 341.411 2.333 10 40 EECB O=C(NC[C@H]1CCCO1)c1nc(-c2ccc(-n3cccc3)cc2)no1 1432162 AIABRDKEFPAHNH-OAHLLOKOSA-N 338.367 2.436 10 40 EECB C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(N2CCCC2)cc1 58029393 ZLXMYRKWAOAGMT-QAPCUYQASA-N 332.444 2.487 10 40 EECB Cc1cc(C(=O)NCc2ccc(N3CCNCC3)c(F)c2)c(C)o1 195542845 YLNXKPHLSYFDCP-UHFFFAOYSA-N 331.391 2.375 10 40 EECB CN(C)c1ccc2c(c1)CN(C(=O)c1cnccn1)[C@H]2c1cnco1 96086992 MILVEGXRTFBVED-QGZVFWFLSA-N 335.367 2.276 10 40 EECB O=C1NC(=O)C(=Cc2cccc(OCc3ccccc3F)c2)C(=O)N1 3669874 UQQXGYGLADGICF-UHFFFAOYSA-N 340.310 2.154 10 40 EECB Cc1ccc(C(=O)N(C)Cc2ccccc2O)cc1S(C)(=O)=O 53916507 FTMNJLDKOMLFNN-UHFFFAOYSA-N 333.409 2.376 10 40 EECB O=C(O)COc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1 8569669 XLNZQOGCZVWLHA-LCYFTJDESA-N 332.381 2.216 10 40 EECB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 69772862 LAZJKXVWAMOONV-GOSISDBHSA-N 338.407 2.493 10 40 EECB COc1ccc(N2CCCN(C(=O)CCn3cc(C)cn3)CC2)cc1 71820056 CWXCQXUSAJRVHZ-UHFFFAOYSA-N 342.443 2.329 10 40 EECB O=C1NC(=S)NC(=O)C1=CNc1cc(C(F)(F)F)ccc1Cl 40476889 HPMYYTAOCROQOS-UHFFFAOYSA-N 349.721 2.186 10 40 EECB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccccc3)C2=O)cc1 63895 RDJBPXAGXNUUIJ-FOWTUZBSSA-N 336.347 2.325 10 40 EECB Cc1ccccc1N1C(=O)/C(=C\NN2CCCCC2)C(=O)N=C1S 9334413 GRIYSBQJJCIHRE-QBFSEMIESA-N 344.440 2.028 10 40 EECB CCCCCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OC 1791241 WNAKGYSYFWPZJH-UHFFFAOYSA-N 346.383 2.404 10 40 EECB CN(C)c1ccc(CNC(=O)CCCNC(=O)c2ccco2)cc1 18215248 KOBXQWOJJSTBAM-UHFFFAOYSA-N 329.400 2.172 10 40 EECB Oc1ccc(CC[C@H](O)C[C@@H](O)CCc2ccc(O)c(O)c2)cc1 13341038 XLTITIJKWVRJMS-IRXDYDNUSA-N 332.396 2.481 10 40 EECB biogenic,in-vitro COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)[nH]c3C)C2=O)o1 107888470 YNCNRUOCMXFFRS-QPEQYQDCSA-N 343.339 2.104 10 40 EECB O=C(O)CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1737020 DTJBOBKXKKSBDK-YFHOEESVSA-N 338.366 2.271 10 40 EECB CCN(CC)c1ccc(CNC(=O)c2c(C)c(C)nn(C)c2=O)cc1 76716878 NLRROMRUXAYBBC-UHFFFAOYSA-N 342.443 2.173 10 40 EECB COc1ccc(N2CCC(NC(=O)[C@@H](C)n3ccnc3)CC2)cc1 69491078 XENDGCBVEILHER-CQSZACIVSA-N 328.416 2.238 10 40 EECB O=C(O)CCC(=O)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 80316109 HEJNCGOKQQWAED-OAHLLOKOSA-N 339.351 2.330 10 40 EECB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2C(C)=O)cc1F 96404931 MSJGVUMHFGVVGY-KRWDZBQOSA-N 335.423 2.299 10 40 EECB Nc1ccc(C2=NN(CCO)C(=O)/C2=C\c2c[nH]c3ccccc23)cc1 18192813 ZYPZNVDKACCQIV-BOPFTXTBSA-N 346.390 2.372 10 40 EECB CCN1C(=O)/C(=C/c2cc(Br)cs2)C(=O)NC1=S 409392053 NONAZCZQFGPRNS-XBXARRHUSA-N 345.243 2.157 10 40 EECB CCc1ccccc1N/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 408547066 KVYKPJKTBCKECC-UVTDQMKNSA-N 339.351 2.416 10 40 EECB CNc1snc(C)c1C(=O)N1CCN(c2ccc(OC)cc2)CC1 40468253 PCPKEQCQVNZDOU-UHFFFAOYSA-N 346.456 2.464 10 40 EECB Cc1oc2c(c1C(=O)NC[C@H]1CCCO1)C(=O)c1ccccc1C2=O 79314 UQPPEIMDIHYWRS-LLVKDONJSA-N 339.347 2.272 10 40 EECB CCOc1ccccc1/C=C1\SC(=S)N(CC(=O)OC)C1=O 13532405 SYKSFVRXLWOSCE-WQLSENKSSA-N 337.422 2.460 10 40 EECB Cn1cc(CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1 96410500 XUBIHEIEWBILAH-QGZVFWFLSA-N 343.427 2.266 10 40 EECB O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccccc1Br 34926767 JEWULSHINZJDQM-QMMMGPOBSA-N 345.243 2.294 10 40 EECB COc1cccc(/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)c1O 4812588 IYDVHYBSQWPNII-WMNKIYBBSA-N 348.424 2.480 10 40 EECB Cc1noc(C)c1S(=O)(=O)NCc1ccc2c(c1)CCCN2C 58511407 DACMKPHCRHBCRQ-UHFFFAOYSA-N 335.429 2.152 10 40 EECB CN(C)c1ncccc1CNCc1ccc(N2CCOCC2)cc1 48712354 SJMWFWZJKGZEBN-UHFFFAOYSA-N 326.444 2.274 10 40 EECB CC(=O)NC1=NC(=O)/C(=C/c2ccc(O)c(Br)c2)S1 408758088 GMBKIXVSSGSQOC-YHYXMXQVSA-N 341.186 2.261 10 40 EECB CC[C@@H](C)N1C(=O)/C(=C/N[C@@H](C)c2ccccc2)C(=O)NC1=S 97969276 KTLGVBLLQAZAKD-GWQMMKDHSA-N 331.441 2.263 10 40 EECB O=C1/C(=C\[C@@H]2CC=CCC2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 102794906 VBZDNIQQRWGYJF-XGFGGAMFSA-N 343.495 2.274 10 40 EECB Cc1cc(/C=C2/C(=O)NC(=S)N=C2O)c(C)n1C[C@H]1CCCO1 59109169 RUHBKQLAWSCLGK-GFCCVEGCSA-N 333.413 2.039 10 40 EECB Cc1cc(N/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)no1 9184472 PEFKMOQFXXJRHS-YRNVUSSQSA-N 346.730 2.215 10 40 EECB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1O 9319926 MLXPNJIFQGKOFI-JLHYYAGUSA-N 338.319 2.067 10 40 EECB O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnccn1 81203350 NNUUYYKNWYVWQW-LBPRGKRZSA-N 348.353 2.477 10 40 EECB COC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@@H](C)C2 6250471 LMLHVLCRWADVJN-MRVPVSSYSA-N 325.386 2.463 10 40 EECB O=[N+]([O-])c1ccc(O)c(CN[C@H](Cn2cncn2)c2ccccc2)c1 77404543 AAJIUKPGXKPSAG-MRXNPFEDSA-N 339.355 2.423 10 40 EECB CN(C)c1ccc(CNC(=O)CSC(=S)N2CCCC2)cc1 7484324 XAGZOSHUBDFUGQ-UHFFFAOYSA-N 337.514 2.483 10 40 EECB CNc1nn2c(O)cc(C)nc2c1C(=O)Nc1ccc(OC)cc1 101636340 NHQMRBXADPQUAN-UHFFFAOYSA-N 327.344 2.046 10 40 EECB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCCO 103917708 YDNVDQDUENQAPS-VBKFSLOCSA-N 346.387 2.344 10 40 EECB N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 41085003 QXMGAVSTLZIDLI-NAXSCAEVSA-N 341.396 2.065 10 40 EECB CCS(=O)(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 96428646 MIKFOOXMIRTGCZ-NSHDSACASA-N 334.388 2.196 10 40 EECB O=C1c2ccccc2C(=O)C12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]2[N+](=O)[O-] 5604717 TXGJGGKFQSGTJA-UONOGXRCSA-N 338.275 2.403 10 40 EECB CCC(C)(C)OC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 23118532 SSJANYMOJCDXAK-QGZVFWFLSA-N 336.476 2.383 10 40 EECB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cccc(O)c1 502468 KEOHDHMMVYEXNQ-DHDCSXOGSA-N 340.310 2.193 10 40 EECB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O 409393580 QVIKTVYVFCRYDI-SDNWHVSQSA-N 337.335 2.147 10 40 EECB CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)cc2)C(=O)NC1=S 409390489 DHZFZBZRCPHAMS-RVDMUPIBSA-N 339.420 2.432 10 40 EECB O=C(O)CN1C(=O)/C(=C/c2cc3ccccc3nc2O)SC1=S 5387712 RTJSCDWWCQRTLU-WDZFZDKYSA-N 346.389 2.226 10 40 EECB CC1(C)OC(=O)C(=CC2=C(O)n3c(nc4ccccc43)C2)C(=O)O1 6693414 UMJWMLGJYKNUOV-UHFFFAOYSA-N 326.308 2.082 10 40 EECB CC(=O)NN1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S 13693788 DQDRKNFNEFCALK-ZROIWOOFSA-N 347.465 2.321 10 40 EECB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 15013210 UQJAHWYSODKAAU-BOPFTXTBSA-N 335.363 2.357 10 40 EECB CNCC(=O)Nc1cc(Cl)cc2c1C(=O)c1ccccc1C2=O 4937770 OXBJMSCOUFPICZ-UHFFFAOYSA-N 328.755 2.273 10 40 EECB COCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 409140036 PPTMMAXTZCNATG-NTCAYCPXSA-N 348.424 2.206 10 40 EECB [O-][n+]1ccnc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 1615552008 QOUCTWJFKDGPPE-GFCCVEGCSA-N 336.342 2.397 10 40 EECB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/NCc3ccco3)C2=O)c1 5734495 NDZYJBGZMAJBMW-GDNBJRDFSA-N 339.351 2.153 10 40 EECB CCOc1ccc(/C=C2\C(=O)N(C)C(C)=C2C(=O)OC)cc1OC 14406525 FFBKUDHAHXRCQJ-LCYFTJDESA-N 331.368 2.396 10 40 EECB COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1 4999331 PJZGSJGRQIEZNW-GXDHUFHOSA-N 344.367 2.108 10 40 EECB C[C@H](NCc1ccc(N2CCOCC2)cc1)c1nnc2ccccn12 15593733 HDYDERFDXBAYHL-HNNXBMFYSA-N 337.427 2.417 10 40 EECB O=C1NC(=S)NC(=O)C1=CNc1cccc(Nc2ccccc2)c1 31434509 QTKPPAVOXYIASR-UHFFFAOYSA-N 338.392 2.257 10 40 EECB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2COCCO2)cc1 69704539 JKWXVPRPCKTMRK-CQSZACIVSA-N 346.349 2.059 10 40 EECB O=C1NC(=S)S/C1=C/c1cc(Br)c(O)cc1O 5567047 HHTDQWXECXTEOH-KRXBUXKQSA-N 332.200 2.349 10 40 EECB COc1cccc(/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)c1O 18105457 IYDVHYBSQWPNII-FGLUKDLVSA-N 348.424 2.480 10 40 EECB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccncc1 59426692 HKRRCUQHFDLTLJ-UKTHLTGXSA-N 327.727 2.401 10 40 EECB CC[C@H](C)N1C(=O)/C(=C\Nc2ccc(C(=O)O)cc2)C(=O)N=C1S 102510953 QUAQHVLEEDCGSB-RILYUOAZSA-N 347.396 2.134 10 40 EECB COc1ccc(CNC(=O)NCCc2ccc(O)c(O)c2)cc1OC 95397513 WAZQOFDDBVROCK-UHFFFAOYSA-N 346.383 2.157 10 40 EECB Oc1ccc(N2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 28940767 UETAHZPSUNNSEI-UHFFFAOYSA-N 328.368 2.149 10 40 EECB Cc1cc2c(cc1C=C1C(=O)NC(=O)NC1=O)[C@H](C)CC(C)(C)N2C 113774358 QLNODCLDEDEFQZ-LLVKDONJSA-N 341.411 2.466 10 40 EECB COc1cc([C@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC 4044269 FLBYWUCSQUTDBU-QGZVFWFLSA-N 331.368 2.359 10 40 EECB biogenic Cc1ccc(Sc2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1 4502445 UPXCNMKGIXUQKJ-UHFFFAOYSA-N 328.349 2.489 10 40 EECB C[C@@H](O)Cc1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O 514287747 RILOVTGOFDASJT-ZCFIWIBFSA-N 348.738 2.156 10 40 EECB biogenic,in-vitro Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)on1 57175944 PRYHQFGSBXJQBZ-UHFFFAOYSA-N 333.363 2.013 10 40 EECB COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(C(C)=O)c1 95997433 IYAOEANKUYKTCD-UHFFFAOYSA-N 349.364 2.182 10 40 EECB CN1CCCc2cc(/C=C/C(=O)NCCNc3cnccn3)ccc21 61429674 KOWYOSPQWGKXFG-FNORWQNLSA-N 337.427 2.101 10 40 EECB CCOCCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 40498110 TVVGYVZBBAIIQL-UHFFFAOYSA-N 335.448 2.091 10 40 EECB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc([N+](=O)[O-])c1O 36011481 SJNRNHYYPOMMRE-UHFFFAOYSA-N 349.295 2.063 10 40 EECB CNC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 65399522 VFVLBJLAFYNOPA-UHFFFAOYSA-N 340.427 2.087 10 40 EECB Cn1cccc1/C=C1/C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 507606 DQXYSIDVUYCADC-QINSGFPZSA-N 327.384 2.377 10 40 EECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(F)cc1 100417093 POIWLAAVSNYEPA-GDNBJRDFSA-N 339.326 2.400 10 40 EECB COC(=O)c1ccccc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 100784644 UEQXUPOXKONLOJ-OALUTQOASA-N 343.379 2.376 10 40 EECB Cc1cc(C(=O)CN2C(=O)N[C@H](C)C2=O)c(C)n1-c1ccc(F)cc1 9217223 OPAIVEQESFRZCV-LLVKDONJSA-N 343.358 2.356 10 40 EECB COc1ccc(N2CCC(NC(=O)N3CCC[C@H](CO)C3)CC2)cc1 71855156 KDASVBWDGNSGQU-HNNXBMFYSA-N 347.459 2.078 10 40 EECB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnsn2)cc1 69453740 KXWIWLUMZYEXNW-HNNXBMFYSA-N 346.456 2.426 10 40 EECB CCNc1nc(NCC)nc(NNC(=S)Nc2ccccc2C)n1 1100631 NMEOQDDJZLDQHO-UHFFFAOYSA-N 346.464 2.357 10 40 EECB Nc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 256051806 KOCASBYCMCHXCP-UHFFFAOYSA-N 329.375 2.136 10 40 EECB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccccc1O 318497 YODMEMCPXWGALX-MKRLJBPISA-N 343.379 2.244 10 40 EECB C/C(NCCO)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 4736927 BIGCEPHTSMOJOA-LGMDPLHJSA-N 339.370 2.433 10 40 EECB C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)C[C@@H](C)O1 508277 JPCXTVCADHLXRT-ZRRWWSTKSA-N 346.408 2.495 10 40 EECB COCCNC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 95474234 FJVVZSNDKYDOQC-UHFFFAOYSA-N 348.358 2.091 10 40 EECB COCCNC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 4541449 GGDJCIYFZQUBNI-UHFFFAOYSA-N 330.384 2.014 10 40 EECB Cc1cc(CNC(=O)c2ccc(CNC(N)=O)cc2)ccc1N(C)C 72277514 QHSFMODIYYJTTL-UHFFFAOYSA-N 340.427 2.159 10 40 EECB CCCN1C(=O)/C(=C\c2cccc(OC)c2O)C(C(=O)OC)=C1C 574475 CQNWNEKERUKGBB-RAXLEYEMSA-N 331.368 2.483 10 40 EECB CN1/C(=C\C=C\C=C2C(=O)NC(=S)NC2=O)Sc2ccccc21 5393806 WBBWBEKGWGVQTN-YAJGUJQZSA-N 343.433 2.083 10 40 EECB Cc1ccc(N2C(=O)/C(=C/NN3CCCCC3)C(O)=NC2=S)cc1 33929966 SWSSMNUEQSTCII-SDNWHVSQSA-N 344.440 2.457 10 40 EECB COc1ccc(Sc2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1 5028546 RJLBNMGBHYMWLH-UHFFFAOYSA-N 344.348 2.189 10 40 EECB O=C(c1ccncc1)N1CCC(NCc2ccc3c(c2)CCO3)CC1 54176306 XINHERMOLQCJCO-UHFFFAOYSA-N 337.423 2.411 10 40 EECB CCc1ccccc1N1C(=O)/C(=C/c2cccn2C)C(=O)NC1=S 409101609 WNKNAONGVNUAEK-SDNWHVSQSA-N 339.420 2.419 10 40 EECB O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc[nH]1 96431778 MWFORNYTHNKDOV-LLVKDONJSA-N 336.342 2.410 10 40 EECB O=C(CSc1nc(-c2ccncc2)n[nH]1)c1ccc(O)c(O)c1 285776 RHSSONIQQLWDBH-UHFFFAOYSA-N 328.353 2.253 10 40 EECB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc3c(c1)OCCO3)C(=O)C2=O 2140483 TVHUCPYFHSMSDL-RBUKOAKNSA-N 343.379 2.361 10 40 EECB COC(=O)c1ccccc1-c1ccc(/C=C2/C(=O)NC(=O)N=C2O)o1 58822607 RSEYGQNCFYWWLX-UHFFFAOYSA-N 340.291 2.323 10 40 EECB COCCOc1ncccc1C(=O)N[C@H](C)c1cc(OC)ccc1O 71185376 LKPDKHJBIBAJBQ-GFCCVEGCSA-N 346.383 2.312 10 40 EECB O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc[nH]n1 81203243 CNMFTDVFFRCMBT-NSHDSACASA-N 336.342 2.410 10 40 EECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C)o3)C2=O)cc1 114632 REBVYLUIZDKFRR-ZROIWOOFSA-N 326.308 2.263 10 40 EECB CC(C)CCSCC(=O)NCc1ccc(N2CCNC(=O)C2)cc1 56396619 JNQHZZIVRFIQFF-UHFFFAOYSA-N 349.500 2.018 10 40 EECB CCOC(=O)CN1C(=O)/C(=C/c2ccccc2OC)SC1=S 1277101 PUGMFGCOUCEDHJ-WQLSENKSSA-N 337.422 2.460 10 40 EECB CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 58734089 GMKNALQIGFNOOE-MRXNPFEDSA-N 335.423 2.299 10 40 EECB COc1ccc(N2CCN(C[C@H](O)CO[C@@H]3CCC[C@@H]3C)CC2)cc1 12414231 HXEMNXHJEFXNHD-XKGZKEIXSA-N 348.487 2.383 10 40 EECB Cc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1[N+](=O)[O-] 13343776 YIDAKUWAIWTHFL-YHYXMXQVSA-N 338.366 2.189 10 40 EECB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(C)cc3)C2=O)cc1 356529 OTCIBDPKBRIZAJ-WJDWOHSUSA-N 336.347 2.243 10 40 EECB CN(C)c1ccc(CNC(=O)Nc2ccc(-n3cnnn3)cc2)cc1 58466999 FSCVYXLPPMZALX-UHFFFAOYSA-N 337.387 2.050 10 40 EECB O=C(O)CN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 2495189 UXYSDEJVYGRBHB-ZZXKWVIFSA-N 348.199 2.328 10 40 EECB CC1(C)COCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 71888784 TWGBRBVMZDTIHV-VMPITWQZSA-N 330.428 2.174 10 40 EECB CCOc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1O 32119 JNHJQDJACJYKJB-GXDHUFHOSA-N 334.397 2.093 10 40 EECB CN(C)c1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1 16735399 PRTMZXIHNHIJOX-UVTDQMKNSA-N 338.392 2.025 10 40 EECB Nc1nn2c(=O)c3c([nH]c2c1/N=N/c1ccc2c(c1)OCO2)CCC3 4649606 RWHTXSZSHSOTDS-FMQUCBEESA-N 338.327 2.238 10 40 EECB O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2 9314408 JVORZBFZROWSFD-UHFFFAOYSA-N 349.364 2.377 10 40 EECB O=C(NCc1c(O)ccc2c1CCCC2)c1n[nH]c(=O)c2ccccc12 75159712 DMWMQLBDCJTJGQ-UHFFFAOYSA-N 349.390 2.438 10 40 EECB CCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)N=C1S 202830 VYUKSSUYFSJQQK-QINSGFPZSA-N 331.441 2.402 10 40 EECB CC(=O)Oc1cccc2c1C(=O)[C@H]1CC=C[C@@H](OC(C)=O)[C@@H]1C2=O 100226944 NPMJTXFWZBYDJF-JGGQBBKZSA-N 328.320 2.115 10 40 EECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 409389928 CXNQGVOKVPZZRR-RVDMUPIBSA-N 337.335 2.147 10 40 EECB Cc1ccc(N2C(=O)/C(=C/N3CCCCC3)C(=O)NC2=S)cc1C 105964458 OAJXJOKJRWBLGH-RVDMUPIBSA-N 343.452 2.421 10 40 EECB COC(=O)c1ccc(OC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1 6764595 LIUWPTDFIBNXQU-MOPGFXCFSA-N 344.363 2.343 10 40 EECB COCCN1C(=O)/C(=C\c2cccc(OC)c2)C(C(=O)OC)=C1C 4169905 LWRQEOQJWIPCJL-PTNGSMBKSA-N 331.368 2.014 10 40 EECB CSCC[C@@H](NCc1c(O)ccc2c(C)cc(=O)oc12)C(=O)O 17142218 YFGHUVDXWBVVOS-GFCCVEGCSA-N 337.397 2.103 10 40 EECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1c[nH]c2ccccc12 2213324 QOGBMQGYYSHBGT-RIYZIHGNSA-N 335.319 2.423 10 40 EECB COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=S)NC1=O 34926879 GZNFIQDMXJZSEI-VIFPVBQESA-N 330.818 2.194 10 40 EECB COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 4936663 DXRYHIVTXJZNBI-KWINOFQJSA-N 337.422 2.458 10 40 EECB Nc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(N)cc2)cc1 245012 ZJHCRZGGQCVLIQ-UHFFFAOYSA-N 336.355 2.079 10 40 EECB CN(c1ccc(CNC(=O)CSCC(N)=O)cc1)C1CCCCC1 71837413 CISPCYGRXULHMO-UHFFFAOYSA-N 349.500 2.290 10 40 EECB Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21 409394131 WDIXKRNUMKTLEN-XNTDXEJSSA-N 346.346 2.240 10 40 EECB C[C@@H]1Cc2cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)ccc2O1 2358325 WYJABGHIMMJYBZ-OPYOOOJUSA-N 335.406 2.296 10 40 EECB COC(=O)N1CCC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 72084200 WEFGLTAEBXPITI-HNNXBMFYSA-N 348.447 2.125 10 40 EECB COc1c(CNCc2ccc(N3CCOCC3)c(F)c2)c(C)nn1C 58391345 DOWHCHLJWXCSTQ-UHFFFAOYSA-N 348.422 2.003 10 40 EECB C[C@H](NC(=O)/C=C/c1ccc2c(c1)CCCN2C)c1nncn1C 61402174 LGYVJYJLOQTANJ-XOVSCCBYSA-N 325.416 2.088 10 40 EECB CN1C(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N(C)C1=S 409096870 FEPGXKZERNJLNK-UHFFFAOYSA-N 347.415 2.025 10 40 EECB CC[C@H](C)N1C(=O)/C(=C\Nc2cccc(C(=O)O)c2)C(=O)N=C1S 103116395 WLIXYTUYCDWULI-RILYUOAZSA-N 347.396 2.134 10 40 EECB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1O 13343672 VTUUIQIIKSGVKF-WDZFZDKYSA-N 339.394 2.077 10 40 EECB c1cc(N2CCOCC2)ccc1CNCc1nnc2n1CCCCC2 71831324 CWPDIZRPLXAJIB-UHFFFAOYSA-N 341.459 2.131 10 40 EECB O=C(NC1CCC(O)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 42962254 NQBFLLPCSPJIFD-OFLPRAFFSA-N 348.443 2.386 10 40 EECB CCOCc1cc(CN[C@@H]2CCc3nc(CC)nn3C2)ccc1OC 69745063 JBEWGYLMKFVZIL-MRXNPFEDSA-N 344.459 2.490 10 40 EECB C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 5721581 VMOGNRHIPUOQQA-FSEMZKDTSA-N 338.366 2.269 10 40 EECB O=c1ccnc2sc(NCc3ccc(N4CCCC4)cc3)nn12 44975673 BJSJJAGCNDLTSG-UHFFFAOYSA-N 327.413 2.363 10 40 EECB Oc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1O 523866 HKYHFHRYMKYTJB-UHFFFAOYSA-N 325.353 2.109 10 40 EECB CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 65530032 VGFARLQEKVHOPW-MRXNPFEDSA-N 345.443 2.278 10 40 EECB COc1ccc(N(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1OC 71893075 SFRAJOHFTNYXKP-NSHDSACASA-N 332.322 2.303 10 40 EECB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccccc1 96193250 XYCNOWJPKHBKJJ-WJDWOHSUSA-N 341.392 2.140 10 40 EECB O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1CCCO 4028755 MRUIHJWMAQHOGS-QINSGFPZSA-N 347.374 2.272 10 40 EECB biogenic Cc1cc2n(n1)C[C@@H](CNCc1ccc3c(c1)CCCN3C)CN2 58294395 AHIBNEHBXNMJGP-INIZCTEOSA-N 325.460 2.405 10 40 EECB COc1ccc2c(c1)CCCN2Cc1cc(=O)n2nc(C)sc2n1 52325479 ZLSYFSJJMRZZQQ-UHFFFAOYSA-N 342.424 2.421 10 40 EECB COc1ccc([C@H]2NCCc3cc(O)c(O)cc32)c(C(=O)O)c1OC 8473475 GILKJFYTVKBJOQ-MRXNPFEDSA-N 345.351 2.048 10 40 EECB COc1ccc(N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)O)CC2)cc1 13320366 FQAYDHPDMYDPHX-IRXDYDNUSA-N 344.411 2.011 10 40 EECB CN(C)/N=N/c1ccc(S(=O)(=O)NC(=O)Cc2ccccc2)cc1 100087512 LMLZGNQHARVGDI-HTXNQAPBSA-N 346.412 2.295 10 40 EECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccsc1 4473050 UXEMWWLGENCQBI-WZUFQYTHSA-N 342.332 2.143 10 40 EECB CC(=O)N1[C@H](c2ccccc2O)SC[C@H]1C(=O)NC1CCCC1 4699310 VFNIRURYDWTBMY-YOEHRIQHSA-N 334.441 2.414 10 40 EECB CCN1C(=O)/C(=C/c2cccn2-c2ccccc2C)C(=O)NC1=S 409391397 JDCNJHUOCVXKOY-SDNWHVSQSA-N 339.420 2.432 10 40 EECB COc1ccc(N2CCC[C@@]3(C2)CN(c2ncccn2)CCO3)cc1 96226304 PUMYEALIEKFCFC-LJQANCHMSA-N 340.427 2.361 10 40 EECB Cc1ccc(NC(=O)CCNC(=O)N(C)Cc2ccccc2O)nc1 69975822 SNWPHPUFVAUPNU-UHFFFAOYSA-N 342.399 2.266 10 40 EECB O=C1CN(c2ccc(CNc3ccccc3[N+](=O)[O-])cc2F)CCN1 95396574 FZCXVBRDPCJNIA-UHFFFAOYSA-N 344.346 2.282 10 40 EECB CC(=O)N[C@@]1(C)C[C@@H](c2cccc(O)c2O)O[C@@H]2[C@H]1CC=C(C)[C@H]2O 257224601 FCMZZKPYOIYEHB-OYMYKWPDSA-N 347.411 2.150 10 40 EECB CC(=O)N1[C@@H](C(=O)N2CCCCC2)CS[C@H]1c1ccccc1O 4699301 FNTXAWXJOBOBSX-PBHICJAKSA-N 334.441 2.367 10 40 EECB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1 408938275 PUJJITAPTAPWRL-GXDHUFHOSA-N 337.291 2.261 10 40 EECB CC[C@H](C)NC(=O)CN1CCN(Cc2cc(C)c(C)cc2O)CC1 44758105 AEBOVHRGVYMUGP-INIZCTEOSA-N 333.476 2.041 10 40 EECB CCN1C(=O)[C@@H](Cc2cc3c(cc2OC)OCO3)SC1=S 6952991 MNMACXGLPAOSEH-GFCCVEGCSA-N 325.411 2.215 10 40 EECB CCOC(=O)c1cnc2c(/N=N/c3ccccc3)c(N)nn2c1N 101869422 PDIAEKUQDRSQIV-FMQUCBEESA-N 325.332 2.486 10 40 EECB COc1ccc(N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)O)CC2)cc1 13320367 FQAYDHPDMYDPHX-IAGOWNOFSA-N 344.411 2.011 10 40 EECB Cc1cc(NS(=O)(=O)c2ccccc2)ccc1NS(C)(=O)=O 32759682 RSMBUZBURKBXMK-UHFFFAOYSA-N 340.426 2.167 10 40 EECB CN1CCN(c2ccc(CNC(=S)Nc3cccnc3)cc2)CC1 225777505 IHRNSMQHHIBZMZ-UHFFFAOYSA-N 341.484 2.320 10 40 EECB Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nn1C 96410507 OUCZNZUMSYYOLD-HNNXBMFYSA-N 329.400 2.256 10 40 EECB CCOC(=O)C1=C(C)[C@@H]2C(C)=NN[C@H]2N[C@@H]1c1ccc(N(C)C)cc1 16682301 SOHCPBDKOKCLST-KBAYOESNSA-N 342.443 2.198 10 40 EECB COC(=O)c1sccc1N/C=C1\C(=O)NN=C1c1ccccc1 3210353 RVVAPTXJAZWWCU-LUAWRHEFSA-N 327.365 2.365 10 40 EECB Cc1n[nH]c(C)c1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 97159348 GJLFTRBKIJKIOE-MRXNPFEDSA-N 341.459 2.018 10 40 EECB CC(=O)N[C@]1(C)C[C@@H](c2ccc(O)c(O)c2)O[C@@H]2[C@H]1CC=C(C)[C@H]2O 257283269 OXOJVRSSXHEAKH-WHJMJZORSA-N 347.411 2.150 10 40 EECB CN(c1ccc(CNC(=O)[C@@H]2CCC(=O)N2)cc1)C1CCCCC1 67299864 PPBBMXXLUVEZTI-KRWDZBQOSA-N 329.444 2.350 10 40 EECB Cc1ccc(N2C(=O)N=C(O)/C(=C/NC[C@H]3CCCO3)C2=O)cc1C 102486983 INCPQAIZLAVDNT-MKRLJBPISA-N 343.383 2.379 10 40 EECB COc1c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)nn1C 58328964 ICMNDNWVIYGQNL-CQSZACIVSA-N 344.459 2.425 10 40 EECB CC(C)OCCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 69378361 SDOJSKFNADIHKC-UHFFFAOYSA-N 349.475 2.480 10 40 EECB Cc1ccccc1N1C(=O)N=C(O)/C(=C\NN2CCCCC2)C1=O 34237769 MIPUSYWMDXBNBY-ACCUITESSA-N 328.372 2.293 10 40 EECB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccccc1O)C2 12666128 QUYGOMPLCHRGBD-UHFFFAOYSA-N 334.379 2.096 10 40 EECB C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(N2CCCC2)cc1 58029387 ZLXMYRKWAOAGMT-YJBOKZPZSA-N 332.444 2.487 10 40 EECB COC(=O)[C@@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)C(C)C 72342234 CGWSEEDUGDWGGX-KRWDZBQOSA-N 334.416 2.171 10 40 EECB COc1ccc(N2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)cc1 71828036 UTFNERZVVARAIU-MRXNPFEDSA-N 342.443 2.418 10 40 EECB CCC[C@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCC3)C(=O)O 5235520 QNNICIJEJNAHJC-AWEZNQCLSA-N 331.368 2.330 10 40 EECB O=C1C[C@H](c2ccc(O)c(O)c2)c2cnn(Cc3ccco3)c2N1 85412580 JOFZTNBZADYPMH-GFCCVEGCSA-N 325.324 2.410 10 40 EECB CCc1nc(CN2CCN(C(=O)c3cc(O)cs3)CC2)cs1 101044851 ZTLORRVJPLHOED-UHFFFAOYSA-N 337.470 2.431 10 40 EECB CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)OCO3)C1=O 2051854 WWMMPLZQJYPDPO-UKTHLTGXSA-N 344.367 2.457 10 40 EECB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)C)cc1 408612374 VQUODJYZYSQOFX-INIZCTEOSA-N 346.500 2.414 10 40 EECB Cn1c(=O)c(C(=O)C[C@@H](N)c2ccccc2O)c(O)c2ccccc21 5670048 VQFSVOQFPYIEPP-CYBMUJFWSA-N 338.363 2.223 10 40 EECB CCC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 19498384 WJARXORPHUSHDW-MOPGFXCFSA-N 326.444 2.496 10 40 EECB CCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2c1CCC2 4157073 JTYFFGSPDNJWSV-UHFFFAOYSA-N 325.386 2.305 10 40 EECB CCOC(=O)C1=C(C)[C@@H]2C(C)=NN[C@H]2N[C@H]1c1ccc(N(C)C)cc1 254489164 SOHCPBDKOKCLST-BPQIPLTHSA-N 342.443 2.198 10 40 EECB CC(C)(C)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC2)c1 19313329 ICWMMJVMJHKUBX-UHFFFAOYSA-N 348.487 2.354 10 40 EECB O=C(O)CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 1737013 BGFDDSLQPRDLDE-JXMROGBWSA-N 338.366 2.271 10 40 EECB CCOC(=O)C1=C(C)[C@H]2C(C)=NN[C@H]2N[C@@H]1c1ccc(N(C)C)cc1 16682300 SOHCPBDKOKCLST-CGTJXYLNSA-N 342.443 2.198 10 40 EECB CC[C@@H](C)N1C(=O)/C(=C\NCCC2=CCCCC2)C(=O)NC1=S 5799717 JPRCGHBIDNJSLS-POKNLVKOSA-N 335.473 2.392 10 40 EECB CC1=NN2C(=N)/C(=C/c3coc4ccccc4c3=O)C(=O)N=C2S1 41108161 XDYNBAFBXFWBEN-NUBUYGHXSA-N 338.348 2.432 10 40 EECB COc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)ccc1OC(C)=O 367704 CPZAYBBKCUHCEH-UHFFFAOYSA-N 345.307 2.277 10 40 EECB CN(C)c1ccc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 22278275 AZOPQGWKJKVKRS-UHFFFAOYSA-N 349.412 2.482 10 40 EECB Cc1cccc(N2C(=O)/C(=C/NN3CCCCC3)C(=O)N=C2S)c1 9109800 UOIQSYAWOPRFAA-SDNWHVSQSA-N 344.440 2.028 10 40 EECB O=C1Nc2ccc([N+](=O)[O-])cc2[C@]12NN=C(c1ccccc1)S2 5044487 RVQZNGFCELVOAW-OAHLLOKOSA-N 326.337 2.398 10 40 EECB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\NCc1ccccc1 19593490 HWWUIOJENBYBKM-QINSGFPZSA-N 337.404 2.108 10 40 EECB CN1C(=O)C(=Cc2ccc(Br)cc2)C(=O)N(C)C1=S 59139153 RBLPSDCXDYSFDF-UHFFFAOYSA-N 339.214 2.048 10 40 EECB CCOc1ncccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 6125035 ATZKARFRXFGWDJ-UHFFFAOYSA-N 341.411 2.451 10 40 EECB Cn1ccnc1-c1nccnc1[C@H]1CCCN(Cc2cnccn2)C1 257247354 IYPORRNRCYUVBX-AWEZNQCLSA-N 335.415 2.047 10 40 EECB O=C1N=C(O)/C(=C\c2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)N1 4117252 BDYWDEUONROLQW-UHFFFAOYSA-N 344.327 2.175 10 40 EECB Cc1cc(C(=O)CN2C(=O)N[C@@H](C)C2=O)c(C)n1-c1ccc(F)cc1 9217222 OPAIVEQESFRZCV-NSHDSACASA-N 343.358 2.356 10 40 EECB C[C@@H]1CN(c2ccc(CNC(=O)c3nccn3C)cc2F)C[C@@H](C)O1 96421340 FISGWXFTIWYPFB-CHWSQXEVSA-N 346.406 2.103 10 40 EECB O=C1c2ccccc2C(=O)C12[C@H](c1cccc([N+](=O)[O-])c1)[C@H]2[N+](=O)[O-] 5604714 UUDNOCFKFDHYSO-ZIAGYGMSSA-N 338.275 2.403 10 40 EECB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1C 408903757 YMEIBYXBSAEFTN-OQLLNIDSSA-N 341.342 2.447 10 40 EECB CCOCc1cc(CNC[C@@H]2CCc3nnc(C)n3C2)ccc1OC 75132774 FUJWPBKQRODULH-INIZCTEOSA-N 344.459 2.484 10 40 EECB COc1ccc(N2CCN(C(=O)c3cnc(C)nc3C)CC2)cc1 19937097 IZLQCLYVNAABGV-UHFFFAOYSA-N 326.400 2.064 10 40 EECB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)cc1 13548887 XEDQILXXHYOZEF-ZROIWOOFSA-N 326.283 2.198 10 40 EECB COc1cc(Br)cc(CN2CC[C@@H](N)C[C@@H]2C)c1O 97095757 UBPAARONCGZSRS-JOYOIKCWSA-N 329.238 2.475 10 40 EECB CCN(CC)c1ccc(/C=C2/NC(=O)NC2=O)cc1Br 409047196 NQYULEXXEBJCDV-DHZHZOJOSA-N 338.205 2.476 10 40 EECB CCc1nc(CN(C)C2CCN(c3ccc(OC)cc3)CC2)n[nH]1 195566982 FGOQUIBAGJKDPN-UHFFFAOYSA-N 329.448 2.477 10 40 EECB COc1ccc(N2CCN(C(=O)COc3ccc(N)cc3)CC2)cc1 256050243 DGWRVFGZPDEZHE-UHFFFAOYSA-N 341.411 2.005 10 40 EECB COc1ccc(CNC(=O)NCc2cccc(OC)c2O)cc1OC 57881827 OFURAQVRZBGGLI-UHFFFAOYSA-N 346.383 2.417 10 40 EECB COc1ccc(N2CCN(C(=O)c3c(C)cc(=O)oc3C)CC2)cc1 506661 YIQSAQLCLCFFMV-UHFFFAOYSA-N 342.395 2.228 10 40 EECB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cccc(O)c1 97963969 UXXOUFNYSOXSGQ-CVTQAYBASA-N 337.339 2.341 10 40 EECB Cc1cc(CNC(=O)[C@H](C(C)C)N2CCCC2=O)ccc1N(C)C 78912519 FQKQIFWQLRIBGH-SFHVURJKSA-N 331.460 2.324 10 40 EECB COc1ccc(C2=NN(CCO)C(=O)/C2=C\c2ccccc2O)cc1 102411870 SEWUBNFJQCXQRW-VBKFSLOCSA-N 338.363 2.023 10 40 EECB CN1C(=O)C(=Cc2ccc(OCC(F)(F)F)cc2)C(=O)N(C)C1=O 58289774 HIVUWQQSVPBSMU-UHFFFAOYSA-N 342.273 2.062 10 40 EECB CC(C)(C)O[C@@H]1C[C@@H](O)C[C@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@H]12 4568180 QQRYTCXQPCBFMP-ZFWZSOMGSA-N 334.368 2.048 10 40 EECB CCOc1ccc(Cl)cc1C=C1C(=O)N(C)C(=S)N(C)C1=O 409106177 MTDYKPNMHJRAPW-UHFFFAOYSA-N 338.816 2.337 10 40 EECB C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCO1 72274531 YFPDVBLJUCFINU-HUUCEWRRSA-N 333.432 2.015 10 40 EECB CCOc1cc(Br)cc(/C=C2/SC(N)=NC2=O)c1O 6600342 MEFITPJMRLTSFT-RUDMXATFSA-N 343.202 2.482 10 40 EECB COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(O)c3)[C@H]2CO)ccc1O 34189841 SNZZAHRDXCGWEM-CKFHNAJUSA-N 346.379 2.351 10 40 EECB biogenic,in-vitro COc1ccc(N2CCC(O)(CN(C)[C@H]3CCCC[C@@H]3O)CC2)cc1 585284138 HECPXTNDLLRXNT-OALUTQOASA-N 348.487 2.262 10 40 EECB O=C1/C(=C\NN2CCCCC2)C(O)=NC(=S)N1c1ccccc1 17159830 MJDHOWJDJCLESZ-QBFSEMIESA-N 330.413 2.149 10 40 EECB CC(C)NC(=O)CN1CCN(Cc2c(O)ccc3ccccc23)CC1 23248999 BFGHLQIUMYOBQO-UHFFFAOYSA-N 341.455 2.188 10 40 EECB COc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1OC 28572498 WWELEILTWYPGMY-VMPITWQZSA-N 343.379 2.487 10 40 EECB CCCN(Cc1ccccc1O)C(=O)c1ccc(OCC(N)=O)cc1 79336386 DCLLWRZPOROCHD-UHFFFAOYSA-N 342.395 2.309 10 40 EECB COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1C(=O)O 226856666 FBYFUQZGWSMOTO-UHFFFAOYSA-N 337.353 2.208 10 40 EECB Cc1cc(C(=O)OCC(=O)NCC2CC2)c(C)n1-c1ccccn1 84081397 PMZSSOGEWZABHZ-UHFFFAOYSA-N 327.384 2.172 10 40 EECB CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)C(O)=NC1=S 5823051 KLCRHGMVUUFXPH-SDNWHVSQSA-N 345.424 2.010 10 40 EECB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccn1 8436750 VLHJILDUABKLMS-XFXZXTDPSA-N 342.742 2.314 10 40 EECB CCCN1C(=O)/C(=C/c2ccccc2OCC(N)=O)SC1=S 409329833 HGONDUASOPHZGM-WQLSENKSSA-N 336.438 2.162 10 40 EECB Cc1n[nH]c(C)c1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 97159347 GJLFTRBKIJKIOE-INIZCTEOSA-N 341.459 2.018 10 40 EECB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 8994647 ZTYCRSBGADRWNX-GXDHUFHOSA-N 342.351 2.179 10 40 EECB O=C1N=C(O)/C(=C\NC[C@@H]2CCCO2)C(=O)N1CCC1=CCCCC1 103105674 CMKBJZFOQVSMLE-YEQVNJDRSA-N 347.415 2.448 10 40 EECB Cc1ccc(CCC(=O)NCC(=O)N(C)Cc2ccccc2O)cc1 69530122 JDZJJTDOOOYLIY-UHFFFAOYSA-N 340.423 2.408 10 40 EECB O=C1NC(=O)/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)N1 2975777 ZUURVBBHBUXIAZ-WDZFZDKYSA-N 332.699 2.479 10 40 EECB CCN1CCCc2cc(CN3CCc4nc(C)[nH]c(=O)c4C3)ccc21 12222131 WQLCIVPPBPNMHL-UHFFFAOYSA-N 338.455 2.409 10 40 EECB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 89948926 NDTTYKHHJFSVSY-ICSRJNTNSA-N 345.487 2.260 10 40 EECB O=C(O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 5552538 SEWXAAVIFNADES-UKTHLTGXSA-N 332.381 2.408 10 40 EECB CN(C)c1cc(CNCc2ccc(N3CCOCC3)cc2)ccn1 48711420 NUFGERJOUXEEPR-UHFFFAOYSA-N 326.444 2.274 10 40 EECB COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 409207648 ZIOMPYGCMHOFRS-LCYFTJDESA-N 344.367 2.108 10 40 EECB CN(C)c1ccc(/C=c2\sc3nnc(-c4ccccc4)n3c2=O)cc1 13713714 FEEYIYJPKNMJLX-VBKFSLOCSA-N 348.431 2.432 10 40 EECB CC(=O)Nc1cc(/N=N/c2ccc(N)cc2N)cc(S(=O)(=O)O)c1 13403070 VEXXCIOSFSLTGM-VHEBQXMUSA-N 349.372 2.472 10 40 EECB CCN1CCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 96404126 WHIUQBXCHMCRCN-SFHVURJKSA-N 349.450 2.153 10 40 EECB OCCN1CCC(CNCc2ccc(N3CCCCC3)cc2)CC1 69368782 AUCCPSYPBPTUNQ-UHFFFAOYSA-N 331.504 2.471 10 40 EECB CC(=O)N1[C@@H](C(=O)NC2CCCC2)CS[C@@H]1c1ccccc1O 4699309 VFNIRURYDWTBMY-RHSMWYFYSA-N 334.441 2.414 10 40 EECB Cc1cc(C)n(C(=O)C2=C3CCCN3c3ccccc3S2(=O)=O)n1 67172860 WKVQNCQNWCRNOF-UHFFFAOYSA-N 343.408 2.439 10 40 EECB COc1ccc(N2CCCN(C(=O)Cn3nc(C)cc3C)CC2)cc1 55877948 QRXYBXXTRLMIHS-UHFFFAOYSA-N 342.443 2.247 10 40 EECB CN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)NC1=S 408914915 RPSAXRDVNVLLBJ-UKTHLTGXSA-N 345.811 2.387 10 40 EECB O=C1/C(=C/NN2CCCCC2)C(O)=NC(=S)N1C1CCCCC1 1243059 YONJYNNFTHJMOO-ACCUITESSA-N 336.461 2.277 10 40 EECB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N2CCCC2)cc1 25442571 VOAJHUTXUVFWES-UHFFFAOYSA-N 325.412 2.446 10 40 EECB Cc1cc(C(=O)N2CCC(CC(N)=O)CC2)c(C)n1-c1ccccn1 65474615 NUNPMXMYARONMJ-UHFFFAOYSA-N 340.427 2.217 10 40 EECB CCc1nnsc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 71839320 OGYSZIPOPHSIPV-UHFFFAOYSA-N 332.429 2.072 10 40 EECB COc1cccc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c1O 13942835 IYDVHYBSQWPNII-ZCJISOJFSA-N 348.424 2.480 10 40 EECB Cc1ccc(/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)o1 13496686 LFTCUIFQHWBJHX-XNTDXEJSSA-N 342.326 2.432 10 40 EECB O=C(O)CCN1C(=O)/C(=C/c2cccc3c2OCO3)SC1=S 26840962 DZFNZYZRSNSHMN-POHAHGRESA-N 337.378 2.091 10 40 EECB CC1=NN(c2nc(C)cc(=O)[nH]2)C(=O)/C1=C\c1c[nH]c2ccccc12 16266699 GXAJGXBMNBUVEB-ZSOIEALJSA-N 333.351 2.366 10 40 EECB O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCOC1 96431773 NRZTZPKLSSFPDL-OLZOCXBDSA-N 340.370 2.410 10 40 EECB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccccc1O 318502 YODMEMCPXWGALX-QTNMRXCUSA-N 343.379 2.244 10 40 EECB C[C@H]1O[C@@H](Nc2ccc(/N=N/c3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 18033568 XGASUXNFWLJGAS-VTLPBGJKSA-N 343.383 2.341 10 40 EECB CC(C)COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 59139298 IETGCSNNDAURKB-UHFFFAOYSA-N 332.425 2.320 10 40 EECB CCN1C(=O)C(=Cc2cc(OC)ccc2OC)C(=O)N(CC)C1=S 500058 VLXGBJRTFWDWJG-UHFFFAOYSA-N 348.424 2.083 10 40 EECB COC(=O)C[C@H]1C=C[C@H](OC)[C@]2(C)C(=O)c3ccccc3C(=O)[C@@H]12 17175253 NLTGRGGKJQBQDX-GYKZECTJSA-N 328.364 2.452 10 40 EECB CN(Cc1ccc(N(C)C)cc1)CN1C(=O)NC2(CCCCC2)C1=O 12533034 XUQZHLFGNVDIAJ-UHFFFAOYSA-N 344.459 2.397 10 40 EECB CN1CCC(C)(CNCc2ccc(N3CCC(O)CC3)cc2)CC1 585118321 KKEJGGNLRKEEDI-UHFFFAOYSA-N 331.504 2.469 10 40 EECB CCOC(=O)N1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 9365606 VQGWATFYRLHXGY-UHFFFAOYSA-N 333.432 2.237 10 40 EECB CCN(C[C@@H]1CCOC1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 71889016 LEDNGTXXDHSHTN-MOTZXUDYSA-N 344.455 2.421 10 40 EECB O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(N2CCCC2)nc1 95468163 UYQBSDCFVOWSLB-VMPITWQZSA-N 339.395 2.423 10 40 EECB COc1cccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 75127590 JWDSMUWBKDYKRC-NSHDSACASA-N 344.367 2.225 10 40 EECB O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCOC1 96431774 NRZTZPKLSSFPDL-CHWSQXEVSA-N 340.370 2.410 10 40 EECB O=C(O)c1cccnc1NCc1ccc(N2CCC(O)CC2)c(F)c1 69153778 QVVMQJDTHGHPHW-UHFFFAOYSA-N 345.374 2.492 10 40 EECB Oc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1O 529726 AUBZTEIPCFOFJG-UHFFFAOYSA-N 325.353 2.109 10 40 EECB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(O)cc1 4825069 KYFOYHGUQYIOFT-FMIVXFBMSA-N 326.283 2.198 10 40 EECB Cc1ccccc1/C=C1\SC(=S)N(CCS(=O)(=O)O)C1=O 5371117 UEIJUKZCXSIKFJ-FLIBITNWSA-N 343.451 2.084 10 40 EECB O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 10113276 ZHTSLRFPASUJHM-UHFFFAOYSA-N 341.367 2.361 10 40 EECB CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCNC1=O 12531944 JJZHXJGAKBKGHU-UHFFFAOYSA-N 330.413 2.214 10 40 EECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nncs1 44935411 STDMVEPTUYSZIB-UHFFFAOYSA-N 333.417 2.039 10 40 EECB CC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 6074079 ZIZRWWFMJRHEFJ-LFIBNONCSA-N 349.346 2.468 10 40 EECB CCCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)C(C(=O)OC)=C1C 4681340 WVUPNVPOKGPNCH-UVTDQMKNSA-N 329.352 2.467 10 40 EECB COc1c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)nn1C 58328963 ICMNDNWVIYGQNL-AWEZNQCLSA-N 344.459 2.425 10 40 EECB NS(=O)(=O)c1cccnc1NCc1ccc(N2CCCCC2)cc1 75611154 KXOIJMIRXIMGFW-UHFFFAOYSA-N 346.456 2.331 10 40 EECB CCCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCC 96193594 ALRMXKIEZVPYIB-UHFFFAOYSA-N 348.424 2.179 10 40 EECB Oc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1 20729604 UFMXOJNUTWKKDC-GOSISDBHSA-N 329.352 2.248 10 40 EECB Cc1ccc(/C=C2\SC(=S)N(CN3CCOCC3)C2=O)cc1 33708876 BZVGZKSOYUJCLK-UVTDQMKNSA-N 334.466 2.486 10 40 EECB Cc1cccc(C(=O)N2CCN(C(=O)Cc3ccc(N)cc3)CC2)c1 95427858 PTEWVAXOYJIKPZ-UHFFFAOYSA-N 337.423 2.104 10 40 EECB C[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 5722823 VMOGNRHIPUOQQA-VSUWBIFXSA-N 338.366 2.269 10 40 EECB OCC[C@H]1CN2CCC[C@@H]2CN1Cc1ccc(N2CCCC2)c(F)c1 19292833 FHGVUUJKYSIBDB-MSOLQXFVSA-N 347.478 2.457 10 40 EECB CCN(/C=C1\C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O)CC 408539780 YXHGYTVNHJVHTH-GXDHUFHOSA-N 329.400 2.420 10 40 EECB COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c1O 6483405 KIGVXRGRNLQNNI-UHFFFAOYSA-N 346.291 2.300 10 40 EECB biogenic,in-vitro Cc1cc(C)n(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 96410497 ZTQLQNSTEDQZKF-KRWDZBQOSA-N 343.427 2.413 10 40 EECB COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(O)cc3O)C[C@H]21 1458801 DEKCAPSOTIRXGJ-CYBMUJFWSA-N 340.335 2.420 10 40 EECB COc1ccc(N(C)CC(=O)NC(=O)NC2CCCCC2)cc1OC 58159170 QSYXMJKOXAEONB-UHFFFAOYSA-N 349.431 2.299 10 40 EECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3)C2=O)cc1 408527891 GQXSNCSENFKSJU-PTNGSMBKSA-N 337.335 2.274 10 40 EECB Oc1ccccc1[C@H](c1cc2c(cc1O)OCO2)N1CCOCC1 31861156 ZTWUKTVOOCFFCZ-GOSISDBHSA-N 329.352 2.248 10 40 EECB CN1CCC[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 252487583 ZFANXIMANUGRCL-IAGOWNOFSA-N 332.444 2.242 10 40 EECB CCN(C)c1ccc(CNC(=O)CCSCC(=O)OC)cc1F 69622101 LJWOLHGKEOZBDZ-UHFFFAOYSA-N 342.436 2.194 10 40 EECB CN(C)c1ccc(CN(Cc2nnnn2C2CC2)CC2CC2)cc1 65534551 JARCCUIXKKVWPV-UHFFFAOYSA-N 326.448 2.486 10 40 EECB Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2C)c1 44896956 YMWFQSPWIDFSFO-OAHLLOKOSA-N 346.452 2.319 10 40 EECB Cc1cc(Br)ccc1N1C(=O)N=C(O)/C(=C/NO)C1=O 16282414 DFDUYVXPOBKCPF-YVMONPNESA-N 340.133 2.043 10 40 EECB C[C@@H]1Cc2cc(/C=C3/SC(N4CCOCC4)=NC3=O)ccc2O1 2436061 LEFDFUUXVVNGRB-HGLKBHAMSA-N 330.409 2.313 10 40 EECB CN1C(=O)C(=Cc2cnc(-c3ccccc3)s2)C(=O)N(C)C1=O 66255660 MRYWDGPNPNIEMC-UHFFFAOYSA-N 327.365 2.244 10 40 EECB CCN1CCN(c2ccc(CNC(=O)C[C@H]3CCCO3)cc2F)CC1 71883016 MWLXIWOXCOPJCM-MRXNPFEDSA-N 349.450 2.153 10 40 EECB CN(CC(=O)N1CCCC1)C(=O)/C=C/c1ccc2c(c1)CCCN2C 58333054 VNWWGMJYBIUTKH-CSKARUKUSA-N 341.455 2.163 10 40 EECB CN(Cc1ccc(N2CCOCC2)cc1)c1cc(Cl)nc(N)n1 40497771 XHESOSOKLAPVIA-UHFFFAOYSA-N 333.823 2.185 10 40 EECB CN1CCCc2cc(CNC(=O)N3CC[C@@H](N4CCCC4)C3)ccc21 66191704 ZLTMNCUXGOVMHJ-GOSISDBHSA-N 342.487 2.449 10 40 EECB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)NC1=S 409391150 HKBFFMLFWMOQPM-UKTHLTGXSA-N 347.415 2.073 10 40 EECB Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)NC3CC3)sc2n1 32672202 LHSSHOHDIHFTCV-VIFPVBQESA-N 333.413 2.319 10 40 EECB CC(=O)N1CC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 89937471 WMOYPTKLKMYPHX-KDOFPFPSSA-N 349.450 2.009 10 40 EECB CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 95426754 FFTZQFRPIJUILP-UKRRQHHQSA-N 348.443 2.041 10 40 EECB CCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O 409048855 UGVOJYDVEAIRPN-UHFFFAOYSA-N 329.139 2.142 10 40 EECB COc1cc(Br)cc(CNCCC(=O)NC(C)C)c1O 89885223 KJACPAXKGQZCAV-UHFFFAOYSA-N 345.237 2.168 10 40 EECB COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OC)c1C 33383506 CMBMKBZCWFVZLL-PTNGSMBKSA-N 338.363 2.474 10 40 EECB CCCN1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)SC1=S 409209070 FQMWYBLNNUPGFT-XYOKQWHBSA-N 336.438 2.162 10 40 EECB CNC(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 54360722 BZXTYWKNSVITOY-XFXZXTDPSA-N 336.438 2.033 10 40 EECB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1cccnc1 13228287 APIRADQKQPHJOJ-WQLSENKSSA-N 342.405 2.023 10 40 EECB O=C1N=C(O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1 17112232 XQNRAQXFEPZQCH-UHFFFAOYSA-N 327.252 2.445 10 40 EECB CCN(CC)c1ccc(CNS(=O)(=O)C2CCOCC2)cc1F 71889212 CACLWKWHTADSBR-UHFFFAOYSA-N 344.452 2.270 10 40 EECB COc1ccc(N2CCN(C(=O)c3cnc(C4CC4)nc3)CC2)cc1 222599004 TUHRIHQPOBVVMW-UHFFFAOYSA-N 338.411 2.325 10 40 EECB CN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)N2CCOCC2)cc1 22664769 MPAYHDOFUAMUQJ-LJQANCHMSA-N 345.487 2.432 10 40 EECB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccccc2O)n2ncnc2N1 10157096 NERMLAHJMJXULT-INIZCTEOSA-N 339.399 2.285 10 40 EECB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCC2)cc1 62223760 MXCSXCDUIARADW-MAUKXSAKSA-N 343.471 2.455 10 40 EECB O=c1c(O)coc(CO)c1[C@@H](Nc1ccccn1)c1ccccc1O 20494702 LWUBVLYIBYITIY-KRWDZBQOSA-N 340.335 2.140 10 40 EECB O=C1/C(=C/NN2CCCCC2)C(O)=NC(=S)N1c1ccccc1F 33930101 FRBSCEFIRZGSDK-ZHACJKMWSA-N 348.403 2.288 10 40 EECB N[C@@H](CC(=O)O)c1cc(Br)cc(Br)c1O 44214815 PXJBFNMEGGQVDG-ZETCQYMHSA-N 338.983 2.392 10 40 EECB Cc1nnc2n1CCN(C(=O)c1cc(C)n(-c3ccccn3)c1C)C2 71185957 JOQBLYHSCSLHJF-UHFFFAOYSA-N 336.399 2.045 10 40 EECB NC(=O)[C@H]1CCCN(c2cccc3c2C(=O)c2ccccc2C3=O)C1 4030414 YNHMOFQAFZLZCS-LBPRGKRZSA-N 334.375 2.164 10 40 EECB CCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 4966384 ZWANFKDCMIAEER-UHFFFAOYSA-N 337.331 2.354 10 40 EECB CN1CCN(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)CC1 20647561 RGYSROQVLUBCIH-FYWRMAATSA-N 347.509 2.178 10 40 EECB Cc1cc(C)nc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 54124422 HISWBCXEBVGWPU-MRXNPFEDSA-N 339.443 2.407 10 40 EECB C[C@@H](NC(=O)NC1CCC(O)CC1)c1ccc(N2CCOCC2)cc1 68463020 NZFAOUMSXFZTMY-MXWWQKGMSA-N 347.459 2.187 10 40 EECB Cc1cc(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)c(C)n1-c1ccccn1 19567609 PPWHSKGSNNVHRE-KFKAGJAMSA-N 340.471 2.128 10 40 EECB Cc1cccc(N2C(=O)/C(=C\NN3CCCCC3)C(O)=NC2=S)c1 19995585 UOIQSYAWOPRFAA-KAMYIIQDSA-N 344.440 2.457 10 40 EECB COC1(NC(=O)c2cccc(Cl)c2)C(=O)c2ccccc2C1=O 226297933 QCRDMQHHTHNCMC-UHFFFAOYSA-N 329.739 2.492 10 40 EECB CN1CCC[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 95434342 ZFANXIMANUGRCL-IRXDYDNUSA-N 332.444 2.242 10 40 EECB O=C(O)CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=S 2387570 PZMPKRCEUVDQBK-JXMROGBWSA-N 337.378 2.061 10 40 EECB COC(=O)c1ccc(N/C=C2\C(=O)N(C)N=C2C(F)(F)F)cc1 100281595 JYOOZSVPDZQXAS-YFHOEESVSA-N 327.262 2.159 10 40 EECB Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1cccc2nsnc12 114149 CQBILERFRLTFMJ-UHFFFAOYSA-N 349.393 2.499 10 40 EECB C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=S 6007540 ZESOFMKNZLWPSB-FSEMZKDTSA-N 337.378 2.059 10 40 EECB COc1ccc(N2CCN(C[C@H](O)CO[C@@H]3CCC[C@H]3C)CC2)cc1 245228868 HXEMNXHJEFXNHD-IMFGXOCKSA-N 348.487 2.383 10 40 EECB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 573204 BUAGCOVPIGGPGV-XFXZXTDPSA-N 347.367 2.015 10 40 EECB O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)NC1CCCC1 69739466 YJVCAZKYWBEJMS-QGZVFWFLSA-N 332.444 2.432 10 40 EECB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2csnn2)cc1 69348688 HYHJKIQGCFFEAA-OAHLLOKOSA-N 346.456 2.426 10 40 EECB Cc1ccc2nsnc2c1S(=O)(=O)Nc1ccccc1C(=O)O 88193 WOWYDZPZKDYFMD-UHFFFAOYSA-N 349.393 2.499 10 40 EECB Cc1nc2ccccc2nc1NCc1ccc(N2CCNC(=O)C2)cc1 42110568 ASPINDQSXODANB-UHFFFAOYSA-N 347.422 2.487 10 40 EECB COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=S)NC1=O 34926878 GZNFIQDMXJZSEI-SECBINFHSA-N 330.818 2.194 10 40 EECB Cc1nn2cccnc2c1C(=O)NCCCSc1nccs1 79310613 YNSAEIYLMJUGDC-UHFFFAOYSA-N 333.442 2.406 10 40 EECB CCc1cc(NCc2ccc(N3CCOCC3)cc2)n2ncnc2n1 53583154 MBOLNGMCQSWGSF-UHFFFAOYSA-N 338.415 2.135 10 40 EECB Cn1cccc1/C=C1/C(=O)NC(=O)N(c2ccccc2Cl)C1=O 508073 UYOBZNIJQOQCGN-LUAWRHEFSA-N 329.743 2.345 10 40 EECB CCOC(=O)CC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 18039861 UUZWYCOJNRRIAP-UHFFFAOYSA-N 330.369 2.121 10 40 EECB Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccccc1F 16268658 FILNUXTXFPOAGU-UKTHLTGXSA-N 341.342 2.325 10 40 EECB COCCN1C(=O)/C(=C/c2ccco2)C(=O)N(c2ccccc2)C1=O 409014933 QJQRMINSDBAHDH-QINSGFPZSA-N 340.335 2.305 10 40 EECB COc1ccc(N2CCC(N(C)C(=O)c3cnn(C)c3)CC2)cc1 79335663 KSCZOFMZELNPDW-UHFFFAOYSA-N 328.416 2.170 10 40 EECB O=C1N=C(N2CCOCC2)S/C1=C\C=C\c1ccccc1[N+](=O)[O-] 5376259 HYBOWZUYWRMOJH-LGMZDBLJSA-N 345.380 2.454 10 40 EECB CCOC(=O)c1cnn2c(O)cc(CN3CCc4ccccc43)nc12 47274583 LMSBYXZKVXZKCR-UHFFFAOYSA-N 338.367 2.174 10 40 EECB COC(=O)c1ccc(OC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1 100923525 LIUWPTDFIBNXQU-OALUTQOASA-N 344.363 2.343 10 40 EECB CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)C(C(=O)OC)=C1C 408980054 UCSJRBJJVXOFPE-ZROIWOOFSA-N 331.368 2.396 10 40 EECB CN1C(=O)C(=Cc2cc(Cl)cc(Cl)c2O)C(=O)N(C)C1=S 59139211 ASHNIXREZLSPGX-UHFFFAOYSA-N 345.207 2.298 10 40 EECB O=C(O)CSc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 15106419 WUDRCNVTNZMZAI-UHFFFAOYSA-N 330.317 2.050 10 40 EECB Cc1cccc(C(=O)O)c1NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 13432213 UTVMBTFIKFHTPC-UHFFFAOYSA-N 338.319 2.171 10 40 EECB COc1ccc(-n2nnnc2CNC(=O)CC2CCCCC2)cc1 16955090 BDSJDZIKVLGJDV-UHFFFAOYSA-N 329.404 2.258 10 40 EECB OCC1CCN(c2ccc(CNc3ncnc4[nH]cnc34)cc2)CC1 52446704 JXLJLGIGAICQDB-UHFFFAOYSA-N 338.415 2.174 10 40 EECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 408810629 JIHDMLVPZQLSFX-XNTDXEJSSA-N 338.319 2.067 10 40 EECB CCN1C(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)SC1=S 59316113 OGBGYKGKGXEEEV-QPEQYQDCSA-N 345.449 2.348 10 40 EECB CCOCCCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 65538902 KBTDFFLHUHWCEU-UHFFFAOYSA-N 335.448 2.390 10 40 EECB COc1cc(/C=C2\CC(=O)N(Cc3ccccc3)C2=O)cc(O)c1O 70666523 CKLSIXOSXKZFIB-VGOFMYFVSA-N 339.347 2.449 10 40 EECB biogenic NC(=O)C1CCN(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1 63463284 ADZXLNGVPAPMKC-UHFFFAOYSA-N 344.459 2.084 10 40 EECB CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C 409390658 GKEKSWBRLOWRJN-XNTDXEJSSA-N 338.367 2.186 10 40 EECB Cc1cc(CNS(=O)(=O)c2cnn(C(C)C)c2)ccc1N(C)C 96436431 RDLOMCVNVJBISD-UHFFFAOYSA-N 336.461 2.317 10 40 EECB CC1(C)CC(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)CC(C)(C)N1 1777743 XGIZGPPIDPEERR-UXHICEINSA-N 348.487 2.376 10 40 EECB CN(C)c1ccc(CNC(=O)N2CCN(CC(F)(F)F)CC2)cc1 23994710 CVPVXYARHNRRAH-UHFFFAOYSA-N 344.381 2.142 10 40 EECB CCCC(=O)NCC(=O)N(Cc1ccc(N(C)C)cc1)CC1CC1 69898444 MCTDSSRJODZSKL-UHFFFAOYSA-N 331.460 2.408 10 40 EECB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(O)cc1 2290047 XEDQILXXHYOZEF-NTEUORMPSA-N 326.283 2.198 10 40 EECB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408797563 GQYJLHQGWIDLGA-GXDHUFHOSA-N 338.319 2.067 10 40 EECB COc1cc(Br)cc(CN2CC[C@H](N)C[C@H]2C)c1O 97095758 UBPAARONCGZSRS-SKDRFNHKSA-N 329.238 2.475 10 40 EECB CC[C@H](C)N1C(=O)/C(=C\N[C@@H](C)c2ccccc2)C(=O)NC1=S 5625495 KTLGVBLLQAZAKD-XOYZKQBYSA-N 331.441 2.263 10 40 EECB COc1ccc(N2CCN(C[C@@H](O)CO[C@H]3CCC[C@@H]3C)CC2)cc1 23114568 HXEMNXHJEFXNHD-HQRMLTQVSA-N 348.487 2.383 10 40 EECB O=C(CSc1nnnn1-c1ccccc1)c1ccc(O)c(O)c1 1443288 GGAOBJYJHGPLPT-UHFFFAOYSA-N 328.353 2.049 10 40 EECB Cn1cccc1/C=C1/C(=O)N=C(S)N(c2ccc(F)cc2)C1=O 1755367 UMLPCBOAIJQWCT-LCYFTJDESA-N 329.356 2.407 10 40 EECB Cc1ccccc1N/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 408547072 NUFQKIGJZMRKQV-LCYFTJDESA-N 325.324 2.162 10 40 EECB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)O 2121655 GCXGVMATVUEQDV-IZZDOVSWSA-N 339.394 2.038 10 40 EECB COc1ccc(N2CCN(C(=O)CN(C)c3ccccc3)CC2)cc1 6911048 YNKYRCSJBMSONT-UHFFFAOYSA-N 339.439 2.480 10 40 EECB C/C=C/C=C/C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 5405903 YCHFWHROCUHTRS-VNKDHWASSA-N 344.411 2.019 10 40 EECB Cc1cc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1F 408547011 CCQAAGLGYKVJCN-JYRVWZFOSA-N 343.314 2.302 10 40 EECB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 13464101 JJPKEHPYQIBBPH-UHFFFAOYSA-N 335.337 2.094 10 40 EECB CN1CCN(c2ncccc2CNCc2ccc3c(c2)CCO3)CC1 71834557 ZZIXPWBCPOJPKG-UHFFFAOYSA-N 338.455 2.058 10 40 EECB CCN1C(=O)/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)NC1=S 409392729 RNMSNLKHPNKBAZ-GXDHUFHOSA-N 343.383 2.263 10 40 EECB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 13633306 ZHUDDGYVZWSKRO-FOWTUZBSSA-N 335.363 2.419 10 40 EECB O=C1c2ccccc2C(=O)C12[C@@H]([N+](=O)[O-])[C@@H]2c1ccc([N+](=O)[O-])cc1 5604715 TXGJGGKFQSGTJA-KBPBESRZSA-N 338.275 2.403 10 40 EECB COc1ccc(N2CCC(NC(=O)NC3CCN(C)CC3)CC2)cc1 69592967 BRXAWOUJCOKECD-UHFFFAOYSA-N 346.475 2.057 10 40 EECB C[C@H]1CCCCN1S(=O)(=O)NCCCSc1nccs1 69658049 MATLYOCTACIODA-NSHDSACASA-N 335.520 2.334 10 40 EECB COc1ccc(N2CCN(C(=O)c3cc(C4CC4)ncn3)CC2)cc1 1888913877 FVJHRBHWRPSZOF-UHFFFAOYSA-N 338.411 2.325 10 40 EECB COC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@H](C)C2 6253676 LMLHVLCRWADVJN-QMMMGPOBSA-N 325.386 2.463 10 40 EECB NC(=O)c1cnc(NCc2ccc(N3CCOCC3)cc2)c(Cl)c1 53583151 JDYTZSRNLJZPCS-UHFFFAOYSA-N 346.818 2.283 10 40 EECB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)no1 84120149 KDTMTCUFNSZEDC-AWEZNQCLSA-N 345.399 2.076 10 40 EECB CN(C)c1ccc(CNC(=O)NC[C@@H]2COc3ccccc3O2)cc1 31729273 IXLYGQXUXONYKG-MRXNPFEDSA-N 341.411 2.392 10 40 EECB CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(OC)c(C)c1 84736303 BWAFDHJIZGZBBQ-HOTGVXAUSA-N 340.489 2.153 10 40 EECB CC[C@H](C)N1C(=O)/C(=C\N[C@H](C)c2ccccc2)C(=O)NC1=S 5817752 KTLGVBLLQAZAKD-BKATZTBISA-N 331.441 2.263 10 40 EECB O=c1[nH]n(C2CCOCC2)c2c1[C@@H](c1ccc(O)c(O)c1)CC(O)=N2 95478866 DJOUDGYCBFFLOO-LLVKDONJSA-N 345.355 2.063 10 40 EECB O=C1NC(=S)NC(=O)C1=C/C=C(\Cl)c1ccc(Cl)cc1 161740 RNGOPYPJSXTVSL-POHAHGRESA-N 327.192 2.377 10 40 EECB Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc[nH]3)C(=O)NC2=S)c1 101181227 IEVAXWZCPTVBPX-ZROIWOOFSA-N 325.393 2.463 10 40 EECB Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 44873707 DOLHNBQKWCEXIV-OAHLLOKOSA-N 332.425 2.011 10 40 EECB COc1ccc(N2CCC(NC(=O)N3CCC[C@@H](CO)C3)CC2)cc1 71855158 KDASVBWDGNSGQU-OAHLLOKOSA-N 347.459 2.078 10 40 EECB Cc1cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc(C)n1 44978879 KXYSXWJNILXPMQ-MRXNPFEDSA-N 339.443 2.407 10 40 EECB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 7496689 GIWPDDCIYAJVRI-UHFFFAOYSA-N 347.327 2.285 10 40 EECB CN(C)c1cc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)ccn1 58559152 BBXVODIFDGBTHU-UHFFFAOYSA-N 345.422 2.352 10 40 EECB Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(F)cc1 2368789 KNQJSOWUGKTNBV-OQLLNIDSSA-N 341.342 2.325 10 40 EECB COc1cc(/C=C2/SC(=S)NC2=O)ccc1O[C@@H](C)C(=O)O 4545771 IHSVFQZGZMLTBE-KEXZDQNZSA-N 339.394 2.036 10 40 EECB c1cc(N2CCOCC2)ncc1CNCc1ccc2c(c1)CCO2 54173725 WDTKHXCZTMBDTL-UHFFFAOYSA-N 325.412 2.143 10 40 EECB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCO2 49740540 CLJVWAYHVPCGLD-UHFFFAOYSA-N 340.379 2.182 10 40 EECB Cc1ccc(COc2cccc(C=C3C(=O)NC(=O)NC3=O)c2)cc1 408882202 NYCICPZDUDAVBL-UHFFFAOYSA-N 336.347 2.323 10 40 EECB NC(=O)[C@@H](NCc1cc(Br)ccc1O)c1ccccc1 69777997 OKUOLTRYDVAXBW-AWEZNQCLSA-N 335.201 2.471 10 40 EECB COc1ccc(N2CCC[C@]3(C2)CN(c2ncccn2)CCO3)cc1 96226305 PUMYEALIEKFCFC-IBGZPJMESA-N 340.427 2.361 10 40 EECB C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(N2CCN(C)CC2)c(F)c1 55510912 RBXPZQLMDYXCEE-ZBFHGGJFSA-N 349.450 2.324 10 40 EECB O=C1NN(c2ccccc2)C(=O)/C1=C/c1coc2ccccc2c1=O 429842 YVNNNUYYUPASHS-XNTDXEJSSA-N 332.315 2.254 10 40 EECB CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](N=[N+]=[N-])[C@H]1OC(C)=O 5495608 VHHVICYKHBTEIE-CMXYNOPPSA-N 349.343 2.083 10 40 EECB CC(=O)Nc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1 223873 VLXUWHMIEKXCHI-UHFFFAOYSA-N 348.409 2.451 10 40 EECB COc1ccc(OC)c(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c1 13424182 GQWQYAYGCNCWFN-KNSKNOLWSA-N 330.369 2.343 10 40 EECB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1c(O)[nH]c(=S)[nH]c1=O 5322763 CXHPPIRLFWEXPJ-YRNVUSSQSA-N 342.380 2.253 10 40 EECB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1O 58865568 SDAMUWRBWQIJAG-UHFFFAOYSA-N 333.296 2.444 10 40 EECB CN1C[C@H](NC(=O)NCc2ccc(N3CCCCC3)cc2)CCC1=O 96415342 KOBPGEFLDQQEDZ-MRXNPFEDSA-N 344.459 2.097 10 40 EECB CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc2nonc12 89364968 NRPDAYHGXJUCMP-UHFFFAOYSA-N 325.296 2.326 10 40 EECB O=C1CN(c2ccc(CNc3ccc(Cl)cn3)cc2F)CCN1 78663203 DPLSSVVGDNMNBB-UHFFFAOYSA-N 334.782 2.422 10 40 EECB CCCN(Cc1ccccc1O)C(=O)CNC(=O)c1ccoc1C 69456991 PWUSCIOCUOUFLM-UHFFFAOYSA-N 330.384 2.462 10 40 EECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3O)C2=O)c1 4797330 JRQJZFNJGFRUMY-RAXLEYEMSA-N 337.335 2.279 10 40 EECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(O)cc1 409000163 MSLXYAQFJQQKBC-PTNGSMBKSA-N 331.368 2.101 10 40 EECB Cc1cccc(/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)c1 27533454 JYDPKNJEOYQMES-DHZHZOJOSA-N 343.451 2.084 10 40 EECB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCCC2)cc1 48237123 NJMPJSGDFZSPIU-AWEZNQCLSA-N 341.411 2.315 10 40 EECB COc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(C)C2=O)c1O 13550602 QIICDIGTGQJREZ-RUDMXATFSA-N 326.355 2.140 10 40 EECB CCOCc1cc(CN[C@H]2CCc3nc(CC)nn3C2)ccc1OC 69745064 JBEWGYLMKFVZIL-INIZCTEOSA-N 344.459 2.490 10 40 EECB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(O)c(OC)c1 59959474 SHAHVCNZDAFVQC-JYRVWZFOSA-N 331.368 2.482 10 40 EECB O=C(O)CN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)SC1=S 47080737 GUAOTGDAWLMEPQ-WTKPLQERSA-N 329.786 2.331 10 40 EECB CCN(C)c1ccc(CNc2cc(COC)nc3ncnn23)cc1F 96420988 MPZDBUXVZQKYPE-UHFFFAOYSA-N 344.394 2.478 10 40 EECB COCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)NC1=S 2145952 NAXOFQYNHADUQK-VBKFSLOCSA-N 345.468 2.299 10 40 EECB C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)C[C@@H](C)O1 13785131 JPCXTVCADHLXRT-KAMWRSIZSA-N 346.408 2.495 10 40 EECB O=C(Cc1cccc(F)c1)NCCNCc1ccc2c(c1)CCO2 69595680 SJQOWBWETJKTGS-UHFFFAOYSA-N 328.387 2.209 10 40 EECB CCCNC(=O)NC(=O)CN(Cc1ccco1)Cc1ccccc1O 69777666 YGCOERVBDFBYAX-UHFFFAOYSA-N 345.399 2.223 10 40 EECB O=C(NCCNCc1cc(Br)ccc1O)c1ccco1 4715619 QZLJNVOFKPGIRQ-UHFFFAOYSA-N 339.189 2.267 10 40 EECB CCN1CCN(C2=NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)CC1 19720177 PVLSWAPMYYWMEV-PTNGSMBKSA-N 347.440 2.009 10 40 EECB O=C1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2F)CCN1 95396573 LNXFRDGICGKFEE-UHFFFAOYSA-N 344.346 2.282 10 40 EECB COc1ccc(N(CCC(N)=O)CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 32757633 RCTHYBGBSFTNBB-WMLDXEAASA-N 347.459 2.072 10 40 EECB CC(=O)NN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 102735973 GYACUFQVKHCFGL-QPEQYQDCSA-N 332.406 2.258 10 40 EECB CC[C@@H](C)CS(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1 96406036 WZPLUXJDSDFVOP-CYBMUJFWSA-N 344.452 2.128 10 40 EECB CN(C)c1ccc(/C=c2/sc3nc(-c4ccco4)nn3c2=O)cc1 2703214 PRTMZXIHNHIJOX-GXDHUFHOSA-N 338.392 2.025 10 40 EECB O=C1c2ccccc2C(=O)C12[C@@H]([N+](=O)[O-])[C@@H]2c1cccc([N+](=O)[O-])c1 5604716 UUDNOCFKFDHYSO-KBPBESRZSA-N 338.275 2.403 10 40 EECB O=C(CCn1cnc([N+](=O)[O-])c1)NCc1ccc(N2CCCC2)cc1 28334002 FSEJGGMRMVXHOY-UHFFFAOYSA-N 343.387 2.098 10 40 EECB CN(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1 1297893 GKOFEHBEXPYGCD-FMIVXFBMSA-N 336.438 2.429 10 40 EECB CCN(CC)c1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1 13847648 MYVHXMRTZCFSIZ-YFHOEESVSA-N 330.344 2.400 10 40 EECB Cc1ccsc1/C=C1/SC(N2CCC(C(N)=O)CC2)=NC1=O 96346689 XSOVKOGCXMQPHF-XYOKQWHBSA-N 335.454 2.224 10 40 EECB C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)N1CCCC[C@H]1C 69703244 GGOAHEQEVWMTQO-CABCVRRESA-N 346.475 2.341 10 40 EECB COc1ccc(N2CCCN(C(=O)c3cnn(C)c3C)CC2)cc1 71821397 NAHAUPOEPYFOLE-UHFFFAOYSA-N 328.416 2.090 10 40 EECB CC(=O)N1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 33023712 HVQCUEPACCUOQN-UHFFFAOYSA-N 325.412 2.398 10 40 EECB N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 530705 NVYULHSZSHBGJL-ILZPQDLUSA-N 349.375 2.455 10 40 EECB COc1ccc(CN[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C 76020642 HSHRVYKLPQFVTI-AEFFLSMTSA-N 346.383 2.096 10 40 EECB COc1ccc(N(CCC(N)=O)CC(=O)N(C)c2ccccc2)cc1 8726590 SZISLVRDLUYEMH-UHFFFAOYSA-N 341.411 2.040 10 40 EECB CC1=CC(C)(C)N(C)c2ccc(C=C3C(=O)NC(=S)NC3=O)cc21 113813119 CQZYUSTWNNZSAY-UHFFFAOYSA-N 341.436 2.233 10 40 EECB COc1cccc([C@H](O)C(=O)NCc2ccc(N(C)C)cc2C)c1 96487064 ZGJXKPHCINPXSB-SFHVURJKSA-N 328.412 2.419 10 40 EECB COc1ccc(N2CCN(C(=O)Cc3ccc(C)nc3)CC2)cc1 71819664 XROGQNBTIWYULR-UHFFFAOYSA-N 325.412 2.290 10 40 EECB O=C1/C(=C/c2ccncc2)SC(=S)N1CCCN1CCOCC1 20227296 QRCRYLYGWAYBTK-OWBHPGMISA-N 349.481 2.005 10 40 EECB O=C(NCCCSc1nccs1)c1ccc2[nH]c(=O)[nH]c2c1 71907640 UUMOVUKDQCBXDT-UHFFFAOYSA-N 334.426 2.225 10 40 EECB COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1C 33398384 NDQTXRFWXTUMEE-NTEUORMPSA-N 340.335 2.259 10 40 EECB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccs3)cc2)C1 55916471 XNWUYZCWOCRISS-AWEZNQCLSA-N 343.452 2.380 10 40 EECB COc1ccc(N2CCOC[C@@]3(CCCN(C(=O)N(C)C)C3)C2)cc1 96229014 MUOGAGPPTCYTCO-IBGZPJMESA-N 347.459 2.296 10 40 EECB CC(=O)NC1=NC(=O)/C(=C/Nc2ccc(Br)cc2)S1 618254657 GHGLXNRTNOKJPZ-POHAHGRESA-N 340.202 2.468 10 40 EECB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(N2CCCC2)c(F)c1 19575898 BMXBSXTXBAXVEX-BHYGNILZSA-N 333.451 2.065 10 40 EECB Cc1ccnc(NC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2O)c1 69653555 UEMIXQLMCGQFOE-UHFFFAOYSA-N 330.344 2.074 10 40 EECB COc1ccc(N2CCCN(C(=O)c3cc(C)nn3C)CC2)cc1 71818396 OIPZFCCHYGRKRO-UHFFFAOYSA-N 328.416 2.090 10 40 EECB C[C@H](C(=O)O)N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S 27533774 URGYPHLVESNBRH-VSUWBIFXSA-N 333.394 2.237 10 40 EECB COc1ccc(N2CCCN(C(=O)c3cccnc3OC)CC2)cc1 65543138 LDPCLVLVUMCBCV-UHFFFAOYSA-N 341.411 2.451 10 40 EECB COc1cccc(C2N3CC4(C)CN2CC(C(C)C)(C3)C4=O)c1O 32123993 OXIBIMDJBKFTMB-UHFFFAOYSA-N 330.428 2.262 10 40 EECB biogenic Cc1cccc(COc2ccccc2C=C2C(=O)NC(=O)NC2=O)c1 408817622 VZYHCDZMSMVAKO-UHFFFAOYSA-N 336.347 2.323 10 40 EECB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(C)o1 6034138 ZJUKYPAAYFFLHR-OQLLNIDSSA-N 345.380 2.042 10 40 EECB CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 193673490 HAXAEIWPKFONRV-UHFFFAOYSA-N 349.412 2.482 10 40 EECB COC(=O)Cn1c(-c2ccccc2)cnc1SCC(=O)NC(C)C 44085956 RYDNOKSITUOPKS-UHFFFAOYSA-N 347.440 2.340 10 40 EECB COc1ccc(N2CCN(c3c(C)c(C)nc4ncnn34)CC2)cc1 1326164 LGPYBDXPGQYRHG-UHFFFAOYSA-N 338.415 2.076 10 40 EECB O=C1/C(=C/c2ccccn2)SC(=S)N1CCCN1CCOCC1 20227298 MVDWQAGHCYLWKU-OWBHPGMISA-N 349.481 2.005 10 40 EECB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nccnc1N 10309164 FHZNQUDXRHDJPN-UHFFFAOYSA-N 325.416 2.321 10 40 EECB COC(=O)[C@]1(NC(=O)c2cc(C)n(-c3ccccc3)c2C)CCOC1 88221889 HLICOCXZVPAMPG-IBGZPJMESA-N 342.395 2.156 10 40 EECB CCOCc1cc(CNC[C@H]2CCc3nnc(C)n3C2)ccc1OC 75132778 FUJWPBKQRODULH-MRXNPFEDSA-N 344.459 2.484 10 40 EECB COc1ccc(NC(=O)C[C@H]2SC(=S)NC2=O)cc1Cl 34926876 YFCXCXHBUNLEQL-SECBINFHSA-N 330.818 2.194 10 40 EECB C[C@H]1CC(C)(C)N(C)c2ccc(C=C3C(=O)NC(=S)NC3=O)cc21 113773166 YBLCSVFHLYASPJ-JTQLQIEISA-N 343.452 2.323 10 40 EECB O=C(O)CN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 3213178 ALVBEVHIYVLGOM-WTKPLQERSA-N 329.786 2.331 10 40 EECB COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2F)c1 71803511 SICXUOOQNUNDSJ-JTQLQIEISA-N 332.331 2.356 10 40 EECB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S 5345253 RUZVIOGOYHJKDT-KIFNTFBYSA-N 339.394 2.162 10 40 EECB CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2nncn2C)cc1F 66926858 QPXPRPGHLNGZRJ-GFCCVEGCSA-N 348.426 2.361 10 40 EECB Cc1csc2nc(CN(C)c3ccc4c(c3)OCO4)cc(=O)n12 89708867 TWWNEELFTRABSO-UHFFFAOYSA-N 329.381 2.430 10 40 EECB CN(C)c1ccc([C@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@@H]2N)cc1 15830369 WXYHLZGFKWPBNJ-KURKYZTESA-N 334.427 2.428 10 40 EECB COc1nonc1/N=N/N(Cc1ccccc1)c1nonc1OC 6905802 YHCILDJNSDGOSL-XMHGGMMESA-N 331.292 2.175 10 40 EECB C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cccc2nsnc12 65476084 VKVRSHOJJWXXOU-NSHDSACASA-N 349.437 2.267 10 40 EECB Cc1cc(C(=O)NCCN2CCOCC2)c(C)n1-c1ccccc1 68927469 DSYCQZSZJPPWSI-UHFFFAOYSA-N 327.428 2.156 10 40 EECB CN1CCCc2cc(CNC(=O)CSc3nccn3C)ccc21 60457312 SWQGAONPQRCJTN-UHFFFAOYSA-N 330.457 2.211 10 40 EECB Cc1nn(C)c(C)c1CC(=O)NCc1ccc(N2CCCC2)cc1 28333190 CMXQRLLBBOKLNM-UHFFFAOYSA-N 326.444 2.496 10 40 EECB CN(C)c1ccc(CN(CC2CC2)C(=O)CN2CSCC2=O)cc1 69900384 INUBANJFMQSTJZ-UHFFFAOYSA-N 347.484 2.024 10 40 EECB Cc1ccccc1N1C(=O)/C(=C/NN2CCCCC2)C(O)=NC1=S 34210481 GRIYSBQJJCIHRE-ACCUITESSA-N 344.440 2.457 10 40 EECB COc1ccc(N2CCN(C(=O)CCc3c(C)n[nH]c3C)CC2)cc1 72240446 SNXUHHJSPAKWJX-UHFFFAOYSA-N 342.443 2.317 10 40 EECB CN1CCC[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 95434343 ZFANXIMANUGRCL-SJORKVTESA-N 332.444 2.242 10 40 EECB COc1ccc(N2CCN(C(=O)COc3ccccc3N)CC2)cc1 256053025 PRRPNDXXADSETK-UHFFFAOYSA-N 341.411 2.005 10 40 EECB COc1ccc(-n2nnnc2CNC(=O)Nc2ccccc2F)cc1 9571364 DLVKFHZCJKNXNA-UHFFFAOYSA-N 342.334 2.132 10 40 EECB C[C@@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 71796092 VVJCHPWLNLPPQZ-CRAIPNDOSA-N 347.459 2.405 10 40 EECB CN(c1ccc(CNC(=O)Cn2cncn2)cc1)C1CCCCC1 58282732 PNJNQJLSQODYQP-UHFFFAOYSA-N 327.432 2.363 10 40 EECB Cc1cccc2c(=O)c(/C=C3/C(=O)NN=C3c3ccccc3)c(O)[nH]c12 97130 ZDMQBPSBGVZQEH-GXDHUFHOSA-N 345.358 2.460 10 40 EECB CN1C(=O)/C(=C2/CC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 9486362 IVMCNSSJOOLLFR-SDXDJHTJSA-N 332.359 2.376 10 40 EECB COc1ccc(N2CCN[C@H](C(=O)Nc3ccccc3OC)C2)cc1 257275144 NOBPCIRHYQZVLP-KRWDZBQOSA-N 341.411 2.121 10 40 EECB COc1ccc(N2CCO[C@@H](c3cc(N(C)C)nc(C)n3)C2)cc1 72387802 PPJCBZPXJQCPRX-QGZVFWFLSA-N 328.416 2.438 10 40 EECB O=C(C[C@H]1SC(=S)NC1=O)Nc1ccccc1Br 34926766 JEWULSHINZJDQM-MRVPVSSYSA-N 345.243 2.294 10 40 EECB O=[N+]([O-])c1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCS3)cc1 15953395 XBWZJNDSSGQLNC-KRWDZBQOSA-N 342.400 2.375 10 40 EECB CCOC(=O)CN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 5214247 DYWYQJMRVMIKMB-XYOKQWHBSA-N 337.422 2.460 10 40 EECB COc1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1Cl 3139761 KZAKZRFKDZZSKR-UHFFFAOYSA-N 346.726 2.358 10 40 EECB CCOc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OC 13778977 YTMGRIURDZMZHG-RVDMUPIBSA-N 348.424 2.396 10 40 EECB S=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccnc1 225422406 NSQCYEDUYWXREX-UHFFFAOYSA-N 328.441 2.405 10 40 EECB C[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 63341679 JLJQGLGYBCNDDA-LLVKDONJSA-N 326.418 2.026 10 40 EECB CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)[C@H]1CCNC1 252495727 OXXUJQDZTSKOCN-KRWDZBQOSA-N 345.487 2.260 10 40 EECB CC[C@@H](C)N1C(=O)/C(=C\N[C@@H](C)c2ccccc2)C(=O)NC1=S 20332222 KTLGVBLLQAZAKD-YXEYPHJZSA-N 331.441 2.263 10 40 EECB CCN1C(=O)C(=Cc2ccc(N(C)C)cc2)C(=O)N(CC)C1=S 173449 WSARKVPGXLRBJI-UHFFFAOYSA-N 331.441 2.132 10 40 EECB COc1cc(NC(=O)c2cccnc2)c(N2CCOCC2)cc1OC 12324998 QNKLPLYALYBTSN-UHFFFAOYSA-N 343.383 2.188 10 40 EECB COc1ccc(-n2nnnc2CNC(=O)c2cc3ccccc3o2)cc1 9570408 JOAJQMFLJDMKST-UHFFFAOYSA-N 349.350 2.347 10 40 EECB CC(C)[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCS1 72305252 OGJPCOSDAIYPOI-QGZVFWFLSA-N 335.517 2.442 10 40 EECB O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2cccc(F)c2)cc1 408874423 BHSOSIQVIKPEIE-UHFFFAOYSA-N 340.379 2.331 10 40 EECB Cc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 55916069 CBRGVXKFGDNDCY-HNNXBMFYSA-N 341.411 2.220 10 40 EECB CCC1=NN2C(=N)/C(=C\c3cccc(OC)c3O)C(=O)N=C2S1 18284382 YSZVTCSMKVQINJ-ZCXNKGSISA-N 330.369 2.430 10 40 EECB Cc1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)o1 41084903 GAWHHEVXFLADST-KRLNTZMLSA-N 329.385 2.260 10 40 EECB CN1CC[C@@]23N[C@@H](N[C@H](c4ccccc4O)[C@@H]2C1)c1ccccc1O3 1889219238 QIHWHUQGGDZXRB-OBZTUIKSSA-N 337.423 2.365 10 40 EECB Cc1cc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)sc1C 40519939 HEMSMOLTPNDOJN-UHFFFAOYSA-N 343.452 2.231 10 40 EECB O=C1c2ccccc2C(=O)C1C(C(=O)O)C1C(=O)c2ccccc2C1=O 100926874 VRWAQWUCMVPRHV-UHFFFAOYSA-N 348.310 2.078 10 40 EECB O=c1n(Cc2nc(-c3ccc(O)c(O)c3)cs2)nc2ccccn12 69484519 MKTVPOAWPOUWKZ-UHFFFAOYSA-N 340.364 2.079 10 40 EECB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-n2ccnc2)cc1 96891462 FFQFOFASKUWOHT-RVDMUPIBSA-N 340.408 2.175 10 40 EECB CSc1cc(O)ccc1NS(=O)(=O)c1cnn(CC(F)F)c1 225447491 YKOGCZMVZBRINT-UHFFFAOYSA-N 349.384 2.377 10 40 EECB O=C(NC1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1)C1CCC1 69775974 WHYIGZIMOAKTPE-UHFFFAOYSA-N 333.388 2.181 10 40 EECB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCC2)cc1 69848852 MXCSXCDUIARADW-QAPCUYQASA-N 343.471 2.455 10 40 EECB Cn1c(=O)c2c(-c3ccccc3)n(-c3ccc(N)cc3)cc2n(C)c1=O 801311 QBLFZQOGQLQFTF-UHFFFAOYSA-N 346.390 2.277 10 40 EECB CC(C)=C1C(=O)NN(c2ccc(I)cc2)C1=O 340240 LLCIOUJCLOSCLQ-UHFFFAOYSA-N 342.136 2.005 10 40 EECB COC(=O)c1ccccc1OC(=O)[C@@]12CC[C@](C)(C(=O)C1=O)C2(C)C 101424928 PEPMQQRIPNNVCH-RTBURBONSA-N 344.363 2.343 10 40 EECB CCCCN1C(=O)N=C(O)/C(=C/NCc2ccc3c(c2)OCO3)C1=O 102536212 ZGAXVDALPCOIDD-XFXZXTDPSA-N 345.355 2.108 10 40 EECB Cc1nn(C)c(N(C)C)c1CNCc1ccc2c(c1)CCCN2C 65563878 GNERDEONIXMUJF-UHFFFAOYSA-N 327.476 2.467 10 40 EECB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(O)c1 3213181 GURCFKFXBBLFCI-VZUCSPMQSA-N 339.394 2.077 10 40 EECB CC(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 42385209 WDGYACZRKJYVLX-INIZCTEOSA-N 331.460 2.263 10 40 EECB COC(=O)c1ccc(N2NC(=O)/C(=C/C=C/c3ccco3)C2=O)cc1 17150177 KFUFNFCWFZEVJE-RPGBBNPCSA-N 338.319 2.084 10 40 EECB CC(=O)Oc1cccc2c1C(=O)[C@H]1CC=C[C@H](OC(C)=O)[C@@H]1C2=O 18089667 NPMJTXFWZBYDJF-DUVNUKRYSA-N 328.320 2.115 10 40 EECB C[C@@H]1O[C@H](Nc2ccc(/N=N/c3ccccc3)cc2)[C@H](O)[C@H](O)[C@H]1O 17885391 XGASUXNFWLJGAS-UZOCJORNSA-N 343.383 2.341 10 40 EECB CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCc3ccccc32)c1 55163548 FDGCWNOCSDGADI-HNNXBMFYSA-N 346.408 2.181 10 40 EECB CN(C)c1ccc(CNC(=O)CCNC(=O)NC2CCCCC2)cc1 14899419 HHIVCHWAEMCQLS-UHFFFAOYSA-N 346.475 2.391 10 40 EECB CCc1cc(N2CCN(c3ccc(OC)cc3)CC2)n2ncnc2n1 51158637 HGOVDFRLYPWICG-UHFFFAOYSA-N 338.415 2.022 10 40 EECB CCN(C)c1ccc(CNC(=O)[C@H](C)S(=O)(=O)C(C)C)cc1F 69633330 SJZJRWJMKHMBQF-LBPRGKRZSA-N 344.452 2.110 10 40 EECB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(O)c(O)c2)n2ncnc2N1 5340149 RTYUWUVTUWTRSK-OAHLLOKOSA-N 344.371 2.322 10 40 EECB Cc1ccc2nsnc2c1S(=O)(=O)Nc1cccc(C(=O)O)c1 32625 JXJVIAADDAGRPX-UHFFFAOYSA-N 349.393 2.499 10 40 EECB Cc1cc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)no1 69841111 UXXBYZFVRNSHLI-CQSZACIVSA-N 344.415 2.380 10 40 EECB COC(=O)C1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 133625609 OMSSDQUZDJSLQE-UHFFFAOYSA-N 330.428 2.492 10 40 EECB N[C@H](CC(=O)O)c1cc(Br)cc(Br)c1O 44214813 PXJBFNMEGGQVDG-SSDOTTSWSA-N 338.983 2.392 10 40 EECB C[C@@H]1O[C@H](Nc2ccc(/N=N/c3ccccc3)cc2)[C@H](O)[C@H](O)[C@@H]1O 245232541 XGASUXNFWLJGAS-JERIBFSFSA-N 343.383 2.341 10 40 EECB CC[C@H](C)N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)C(=O)NC1=S 342271 VTWPNKDTDFSRIH-MJWAUXSNSA-N 348.424 2.129 10 40 EECB COc1cccc(CNC(=O)C(=O)Nc2cc(C)ccc2C)c1O 77837592 GDFYTIKMYKILSC-UHFFFAOYSA-N 328.368 2.273 10 40 EECB O=C1/C(=C\NN2CCCCC2)C(O)=NC(=S)N1c1ccc(F)cc1 19995540 MLZBLRXSGLRIAV-RAXLEYEMSA-N 348.403 2.288 10 40 EECB CC(=O)N1CC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 89937474 WMOYPTKLKMYPHX-RDTXWAMCSA-N 349.450 2.009 10 40 EECB CC[C@@H](C)N1C(=O)/C(=C/NCCC2=CCCCC2)C(=O)NC1=S 101033563 JPRCGHBIDNJSLS-SLQMCABGSA-N 335.473 2.392 10 40 EECB Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2C)c1 44896958 YMWFQSPWIDFSFO-HNNXBMFYSA-N 346.452 2.319 10 40 EECB COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3nn[nH]n3)ccc12 6130613 WYOWKCUEINQTER-UHFFFAOYSA-N 338.323 2.355 10 40 EECB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(O)c(O)c1)C2O 19323689 IUYOBBCPRWNXCF-UHFFFAOYSA-N 346.471 2.387 10 40 EECB biogenic COc1cc(/C=C2\SC(=S)N(C)C2=O)cc([N+](=O)[O-])c1O 13576105 TWMUYHXWPGTCES-UITAMQMPSA-N 326.355 2.140 10 40 EECB CCCN1C(=O)/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)SC1=S 409326568 CFYPSAACYQDTDP-LCYFTJDESA-N 347.465 2.488 10 40 EECB CN(CC(=O)NC(C)(C)C)C(=O)NCc1ccc2c(c1)CCCN2C 60602330 OFTFKEMMMJWTQZ-UHFFFAOYSA-N 346.475 2.125 10 40 EECB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3CCC[C@H]3C)CC2)cc1 54241287 HXEMNXHJEFXNHD-YVWKXTFCSA-N 348.487 2.383 10 40 EECB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCC2)cc1 69848856 MXCSXCDUIARADW-YJBOKZPZSA-N 343.471 2.455 10 40 EECB CN1C(=O)/C(=C\c2ccc(N(C)C)o2)C(=O)N(c2ccccc2)C1=O 408852735 MZFGKKIBEMLZKP-SDNWHVSQSA-N 339.351 2.354 10 40 EECB COC(=O)[C@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)C(C)C 72342236 CGWSEEDUGDWGGX-QGZVFWFLSA-N 334.416 2.171 10 40 EECB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 5569774 KWHIQTBSZBAKRD-XFFZJAGNSA-N 333.687 2.303 10 40 EECB COC(=O)c1ccc(OC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc1 100923517 LIUWPTDFIBNXQU-RTBURBONSA-N 344.363 2.343 10 40 EECB COc1ccc(N2CCN(c3ccc(N)cc3C(=O)O)CC2)cc1 324393097 QTHTYHWOTMOOOA-UHFFFAOYSA-N 327.384 2.302 10 40 EECB C[C@@H](NC[C@H]1CNc2ccnn2C1)c1ccc(N2CCOCC2)cc1 58299760 FSLVMQDJAPGDMI-CVEARBPZSA-N 341.459 2.112 10 40 EECB CCOCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 81203318 UMCLQAYIEWQQLH-LBPRGKRZSA-N 328.359 2.410 10 40 EECB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(O)cc1 38261842 QBOYSRYBIKIHOZ-CVTQAYBASA-N 337.339 2.341 10 40 EECB c1cnc(-n2cccn2)c(CNCc2ccc(N3CCOCC3)cc2)c1 40153241 LQNFAMDOFBGJOJ-UHFFFAOYSA-N 349.438 2.394 10 40 EECB CCCN(CCC)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 176417 LSAZZOLMIJDNNV-UHFFFAOYSA-N 331.441 2.227 10 40 EECB CCN(CC)CCN/C=C1\C(=O)N(C2CCCCC2)C(=O)N=C1O 103096630 VVJMIXNCRZZULN-OWBHPGMISA-N 336.436 2.053 10 40 EECB NC(=O)c1ccc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)nn1 75046894 SSWLWGZIPVURTE-UHFFFAOYSA-N 337.358 2.490 10 40 EECB N=C1/C(=C\c2ccc(O)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 13748721 NVYULHSZSHBGJL-MOPLHIFFSA-N 349.375 2.455 10 40 EECB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 17333439 ILBAEPJNQIWNOK-UHFFFAOYSA-N 349.412 2.448 10 40 EECB COCCCN1C(=O)/C(=C\c2ccccc2OC)C(C(=O)OC)=C1C 4169917 JGDHYGNBEJMBCB-QINSGFPZSA-N 345.395 2.404 10 40 EECB COc1ccc(N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)CC2)cc1 13320365 FQAYDHPDMYDPHX-SJORKVTESA-N 344.411 2.011 10 40 EECB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCC(N)=O 13914539 AKLXBYWHZLCAGG-WJDWOHSUSA-N 335.363 2.357 10 40 EECB CCNC(=O)CN(CC)C(=O)/C=C/c1ccc2c(c1)CCCN2C 61137380 CTOJIPNZYJVJRG-PKNBQFBNSA-N 329.444 2.067 10 40 EECB Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[nH]n1 57377379 MDOQPAKQGHLIIY-CHWSQXEVSA-N 346.406 2.401 10 40 EECB C[C@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 20790006 PDHFEUHROFJSSL-NZWMYCLXSA-N 345.443 2.115 10 40 EECB CCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OC 373576 ZWYFYCLQWBXNDS-RVDMUPIBSA-N 348.424 2.396 10 40 EECB CO[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 69662022 BMWQZFBGGJOAQX-CRAIPNDOSA-N 347.459 2.405 10 40 EECB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccc(N(C)C)cc1 8171789 LHQRUZZAHZZWLV-UHFFFAOYSA-N 346.452 2.395 10 40 EECB COC(=O)CCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 38900 HCCPEWLYJKJJEC-UHFFFAOYSA-N 325.386 2.305 10 40 EECB C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)C[C@H](C)O1 4836796 JPCXTVCADHLXRT-RVCWJPEXSA-N 346.408 2.495 10 40 EECB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1O 408913631 MOXVIMKINKXGLD-MDWZMJQESA-N 326.283 2.198 10 40 EECB CCOC(=O)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 92456528 MVAVJFVHZLFUQY-KRWDZBQOSA-N 332.444 2.298 10 40 EECB CN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)SC1=S 8935109 IZDAIOSNLZTAEN-FPYGCLRLSA-N 341.326 2.040 10 40 EECB O=c1c2cnn(-c3ccccc3)c2nnn1CSc1nccs1 96466598 HOHWHYSBHNSRBM-UHFFFAOYSA-N 342.409 2.184 10 40 EECB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccccc3Cl)S2)CC1 4942561 DLUJKYDHPYAGAC-GXDHUFHOSA-N 349.843 2.474 10 40 EECB C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(N2CCN(C)CC2)c(F)c1 55510919 RBXPZQLMDYXCEE-GDBMZVCRSA-N 349.450 2.324 10 40 EECB C[C@H]1CCCN(S(=O)(=O)NCCCSc2nccs2)C1 69658284 VLGXJFDZJQBEKW-NSHDSACASA-N 335.520 2.192 10 40 EECB Cc1ccc(F)cc1N/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 408547059 IAWRYKASGDFHRA-JYRVWZFOSA-N 343.314 2.302 10 40 EECB COc1cccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c1O 4812587 IYDVHYBSQWPNII-PRRORJFTSA-N 348.424 2.480 10 40 EECB CN1C[C@@H](NC(=O)NCc2ccc(N3CCCCC3)cc2)CCC1=O 96415343 KOBPGEFLDQQEDZ-INIZCTEOSA-N 344.459 2.097 10 40 EECB C#CCOc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1OC 6407626 BJMJRHMDHHFUIZ-DTQAZKPQSA-N 348.358 2.169 10 40 EECB COc1ccc(N2CCN(C(=O)NC(=O)c3ccccc3)CC2)cc1 81858 WSWUTRIHOKXANQ-UHFFFAOYSA-N 339.395 2.367 10 40 EECB CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)C(C(=O)OC)=C1C 59435698 GRGYYNQKOUZANQ-UVTDQMKNSA-N 331.368 2.396 10 40 EECB CN(C)N1C(=O)[C@@H](C(=O)Nc2cccc3ccccc23)SC1=S 1576725 MSJVQRJAOBVRGM-CYBMUJFWSA-N 345.449 2.484 10 40 EECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccco2)C1=O 6499845 JWIBTGBLLRBMJA-ZRDIBKRKSA-N 326.308 2.345 10 40 EECB CN1CCCc2cc(/C=C/C(=O)N3CCC4(CC3)OCCO4)ccc21 61377895 YVKMJDJFKMVMKY-FNORWQNLSA-N 342.439 2.448 10 40 EECB CCCOc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)cccc1OCC 14197415 DKPCIHPDAFMMHO-UHFFFAOYSA-N 346.383 2.308 10 40 EECB CCOc1ccc(N/C=C2/C(=O)NC(=S)N([C@@H](C)CC)C2=O)cc1 9359396 VBMPSMMXPIZFGM-HKLRHMNMSA-N 347.440 2.423 10 40 EECB COCCNC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 3460747 MSAWUVSQKINAQG-UHFFFAOYSA-N 348.374 2.153 10 40 EECB Cc1cc(/C=C2/C(=O)NC(=O)N=C2O)c(C)n1-c1ccccc1O 9089589 FOSBXVZJGGSVOU-UHFFFAOYSA-N 325.324 2.389 10 40 EECB CCN(CC)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 192698 RBJJHQQXGDUIMI-UHFFFAOYSA-N 331.441 2.132 10 40 EECB CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(CC)C1=O 409392105 LBQAWFKUBVQHTA-FLIBITNWSA-N 338.816 2.385 10 40 EECB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)OCC(=O)N2 24973182 YLLGRSHOKQOCHD-UHFFFAOYSA-N 339.395 2.356 10 40 EECB Cc1cc(O)c(CN2CCC(NC(=O)c3cnn(C)c3)CC2)cc1C 54520606 PBKAMVPJJRNXTR-UHFFFAOYSA-N 342.443 2.137 10 40 EECB COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 4936665 DXRYHIVTXJZNBI-YXYQAXARSA-N 337.422 2.458 10 40 EECB CC(C)(C)O[C@H]1C[C@H](O)C[C@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@H]12 4568179 QQRYTCXQPCBFMP-PNZRWIHMSA-N 334.368 2.048 10 40 EECB COc1ccc(O)c(CNC(=O)Cc2cnn(-c3ccccc3)c2)c1 69869475 SMZNPDRTZZJXBU-UHFFFAOYSA-N 337.379 2.445 10 40 EECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cccc(OC)c1 13388896 SEEHVJMXOVCLAJ-VBKFSLOCSA-N 345.395 2.404 10 40 EECB CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 95426755 FFTZQFRPIJUILP-DZGCQCFKSA-N 348.443 2.041 10 40 EECB COC(=O)CSc1ccc2c(c1N)C(=O)c1ccccc1C2=O 3845273 CYTXTAOUFMZAGE-UHFFFAOYSA-N 327.361 2.309 10 40 EECB biogenic COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OC(C)=O 58866174 OMPIRFXFGNOTJV-UHFFFAOYSA-N 346.335 2.374 10 40 EECB O=C(O)CCN1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 6660706 RVLWJIVGQSQNTN-FLIBITNWSA-N 345.405 2.306 10 40 EECB COc1ccc(N2CCCN(C(=O)c3c(C)nn(C)c3C)CC2)cc1 55878079 PNJPKARZABZRAN-UHFFFAOYSA-N 342.443 2.398 10 40 EECB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC#N 108259568 LEUHCPLHHYOKRS-QINSGFPZSA-N 349.346 2.059 10 40 EECB O=C1N=C(O)/C(=C\NCCN2CCCCC2)C(=O)N1c1ccccc1 19950132 GOOQRUBLUDRSQI-FYWRMAATSA-N 342.399 2.069 10 40 EECB COc1ccc(OC)c(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)c1 440073 DIMLDHOLGOTWHX-LFIBNONCSA-N 338.363 2.474 10 40 EECB COc1ccc(N2CCN(CC(=O)c3ccc(O)cc3O)CC2)cc1 36056621 VNBMDIPHLQJKKP-UHFFFAOYSA-N 342.395 2.111 10 40 EECB COc1ccc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc1OC 340101 WZWUUHAONJZJER-XNTDXEJSSA-N 338.363 2.474 10 40 EECB CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cn[nH]c1 40555340 IRXQUYUIUGZTLL-UHFFFAOYSA-N 334.445 2.221 10 40 EECB CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1Cl 408911806 DLJKNNUGPZJBDD-UXBLZVDNSA-N 338.816 2.384 10 40 EECB Cc1ccc(/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 33406323 ALTZZBIDMDVUNV-DHZHZOJOSA-N 343.451 2.084 10 40 EECB O=c1oc2c(CN3CCOCC3)c(O)c(Cl)cc2c2c1CCC2 20134179 FNHDCMLVRBZQCW-UHFFFAOYSA-N 335.787 2.473 10 40 EECB aggregator COc1cccc(/N=N/c2c(=O)[nH]n3c(=O)c4c([nH]c23)CCC4)c1 103674893 PKKFIZBKRBCPLB-VHEBQXMUSA-N 325.328 2.229 10 40 EECB CCc1ccc(N2C(=O)/C(=C/c3cccn3C)C(=O)NC2=S)cc1 409121943 ZHLXKGJDQXMOKT-RVDMUPIBSA-N 339.420 2.419 10 40 EECB CCC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@@H]1c1ccc(N(C)C)cc1 19498383 WJARXORPHUSHDW-RBUKOAKNSA-N 326.444 2.496 10 40 EECB CC(=O)c1cccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 2903989 YBNMDGUSLZNXPD-LFIBNONCSA-N 349.346 2.468 10 40 EECB CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2O)N3)C1 4905844 PTLNTCXVHDDESR-CQSZACIVSA-N 331.397 2.001 10 40 EECB C[C@H](N/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O)c1ccccc1 408547116 ZSKLJFZTHAIDQT-GQVHDAKQSA-N 339.351 2.093 10 40 EECB CCC1=C(C(=O)OC)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 6721138 YCFGPJAUTPSCFE-OAHLLOKOSA-N 327.388 2.196 10 40 EECB O=C(O)c1ccc(CN2CCN(c3ccc4c(c3)OCO4)CC2)o1 8702276 CEJNQDRYXKDEHJ-UHFFFAOYSA-N 330.340 2.029 10 40 EECB O=C1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3F)cc2)CCN1 32923720 GGXIROASZPUQGO-UHFFFAOYSA-N 344.346 2.282 10 40 EECB CCOC(=O)CN(Cc1ccccc1O)C(=O)C1=C(C)OCCC1 585088791 UQNGURAKAIQKPM-UHFFFAOYSA-N 333.384 2.368 10 40 EECB C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(N2CCCC2)cc1 58029410 ZLXMYRKWAOAGMT-CRAIPNDOSA-N 332.444 2.487 10 40 EECB CC[C@@H](C)N1C(=O)/C(=C\N[C@H](C)c2ccccc2)C(=O)NC1=S 20332231 KTLGVBLLQAZAKD-QUVKRXKVSA-N 331.441 2.263 10 40 EECB O=C1NC(=S)NC(=O)C1=CN(Cc1ccccc1)c1ccccc1 95471015 ATHSWDORIWDILH-UHFFFAOYSA-N 337.404 2.108 10 40 EECB C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2C(=O)O)SC1=S 5214746 UMLMEGCPKUHICP-FSEMZKDTSA-N 337.378 2.059 10 40 EECB CN(C)[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1 89314051 NIZHDLGDRGPONQ-LBPRGKRZSA-N 328.507 2.361 10 40 EECB CC1=NNC(=O)/C1=C\c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C 409001255 OQNQSJMTYYXMRS-NVNXTCNLSA-N 325.328 2.286 10 40 EECB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 409001350 PGYLTORHRKLQGR-GHXNOFRVSA-N 347.367 2.015 10 40 EECB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(C)cc2)cc1 8719445 UWICEHNTCQHKKT-UHFFFAOYSA-N 341.411 2.324 10 40 EECB C[C@H]1CN(c2ccc(CNC(=O)c3nccn3C)cc2F)C[C@@H](C)O1 96421338 FISGWXFTIWYPFB-BETUJISGSA-N 346.406 2.103 10 40 EECB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccsc3)cc2)C1 55916767 VIOHCUVUMPXJIT-CQSZACIVSA-N 343.452 2.380 10 40 EECB CCN1CCN(C2=NC(=O)/C(=C/c3ccc(OC)cc3)S2)CC1 19842482 JHKQEIDQPZZRKJ-QINSGFPZSA-N 331.441 2.303 10 40 EECB COCCN1C(=O)/C(=C\c2ccc(OC)cc2)C(C(=O)OC)=C1C 2305312 CJKRJHJICJFWRO-PTNGSMBKSA-N 331.368 2.014 10 40 EECB COc1ccc2c(c1)CCCN2Cc1nn2c(=O)cc(C)nc2s1 22015451 XWOMTEHCCLOQRB-UHFFFAOYSA-N 342.424 2.421 10 40 EECB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3cccs3)C2=O)c(C)n1C 96254767 QFOXUHARVWLJFU-RIYZIHGNSA-N 343.408 2.365 10 40 EECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O)C2=O)cc1 2909139 NWYKQLJPXPDCCV-GXDHUFHOSA-N 338.319 2.067 10 40 EECB CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 6948804 BMZFZFBMFZJRSN-PTNGSMBKSA-N 327.384 2.157 10 40 EECB CC(C)(C)O[C@H]1C[C@@H](O)C[C@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@H]12 4568181 QQRYTCXQPCBFMP-FQPOAREZSA-N 334.368 2.048 10 40 EECB CCn1nc(C)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 96402745 AJEDWRSRASEMRR-UHFFFAOYSA-N 346.406 2.117 10 40 EECB Cn1cccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 501960 KKGKNGNNPFAZEY-LCYFTJDESA-N 329.743 2.345 10 40 EECB CN(C)c1ccc([N+](=O)[O-])cc1C=C1C(=O)OC2(CCCC2)OC1=O 59489881 MLWYYELQUMBFGK-UHFFFAOYSA-N 346.339 2.415 10 40 EECB C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 48354982 XMRULFKIXKKUIT-AHIWAGSCSA-N 336.407 2.235 10 40 EECB CCc1nnsc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 55877829 YMGVIWZHGSKOSJ-UHFFFAOYSA-N 346.456 2.462 10 40 EECB COc1ccc(N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)O)CC2)cc1 13320368 FQAYDHPDMYDPHX-DLBZAZTESA-N 344.411 2.011 10 40 EECB Cc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)no1 84120152 KDTMTCUFNSZEDC-CQSZACIVSA-N 345.399 2.076 10 40 EECB CC[C@@H](C)N1C(=O)/C(=C/N[C@H](C)c2ccccc2)C(=O)NC1=S 97969278 KTLGVBLLQAZAKD-ZNOAOOIOSA-N 331.441 2.263 10 40 EECB O=C(NCc1c(O)cccc1F)N[C@@H]1CCO[C@H]1c1cccnc1 1615552533 DSOJXABFJXRHFJ-ZBFHGGJFSA-N 331.347 2.256 10 40 EECB CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1nncn1C 46964496 HIFGRHMHVBUNIH-CYBMUJFWSA-N 330.436 2.174 10 40 EECB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cccc(F)c1 450655 VGJVECNHZBJBEO-NVNXTCNLSA-N 341.342 2.325 10 40 EECB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccc(O)c1 408937024 MCJUGJVLAGTPLE-FMIVXFBMSA-N 326.283 2.198 10 40 EECB CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)ncc1C(=O)O 2087048814 ILFOUZQWKPTJTB-UHFFFAOYSA-N 342.399 2.072 10 40 EECB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc3c(c1)OCO3)C(=O)C2=O 1805590 SXADCOGHYQGTKC-ZWKOTPCHSA-N 329.352 2.318 10 40 EECB C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1nnc2ccccn12 15593732 HDYDERFDXBAYHL-OAHLLOKOSA-N 337.427 2.417 10 40 EECB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccccc1 408934237 DDXWFQRHSCMWLV-GXDHUFHOSA-N 336.303 2.051 10 40 EECB CCOc1ccc(N/C=C2/C(=O)NC(=S)N([C@H](C)CC)C2=O)cc1 9477195 VBMPSMMXPIZFGM-UXEDPAHQSA-N 347.440 2.423 10 40 EECB COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(C)o3)C2=O)c1 3901092 MOGHRCWNYBTQDE-NTEUORMPSA-N 326.308 2.263 10 40 EECB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)C1=O 5053472 NKCUHGFOPNRWOP-FLIBITNWSA-N 341.279 2.163 10 40 EECB CC(C)[C@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCC3)C(=O)O 4001403 IGYSUTYZXHVBIC-HNNXBMFYSA-N 331.368 2.186 10 40 EECB biogenic COC(=O)Cc1c(C)c2cc(CN3CCCC3)c(O)c(C)c2oc1=O 9047744 USAYGPKNGRWQMV-UHFFFAOYSA-N 345.395 2.427 10 40 EECB O=c1[nH]ncc(NCc2ccc(N3CCOCC3)c(F)c2)c1Cl 48361895 CVTFMTLMFPLMMN-UHFFFAOYSA-N 338.770 2.011 10 40 EECB Cc1ccc(N2C(=O)NC(=O)/C(=C/NCc3ccco3)C2=O)cc1C 5739999 QUDVENBILOBTPH-GDNBJRDFSA-N 339.351 2.153 10 40 EECB CCn1cccc1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O 408931117 HJQYBPAKOQBJLB-ZRDIBKRKSA-N 327.315 2.314 10 40 EECB Oc1ccc(-c2nc3cnccn3c2NC[C@H]2CCCO2)cc1O 12113848 LAPKDCRCZMBXHH-GFCCVEGCSA-N 326.356 2.398 10 40 EECB O=C(NCc1ccc(N2CCNCC2)c(F)c1)c1ccc(Cl)o1 195542853 ZNCWCBCODIDILX-UHFFFAOYSA-N 337.782 2.412 10 40 EECB COc1ccc(N2CCN(CC(=O)Nc3nc(C)cs3)CC2)cc1 36046442 MXUDKLRFYNOHHW-UHFFFAOYSA-N 346.456 2.221 10 40 EECB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(C)s3)C2=O)cc1 331661 XSLMEPAJXPTMBZ-ZROIWOOFSA-N 342.376 2.305 10 40 EECB CN1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)N(C)C1=O 6494352 HIGBYZAEHGTKAI-UHFFFAOYSA-N 328.155 2.340 10 40 EECB Cc1cc2c(cc1/C=C1\SC(=S)N(CC(=O)O)C1=O)OCO2 13942509 OFGUTCFDVZSLKT-WCIBSUBMSA-N 337.378 2.010 10 40 EECB COc1ccc([C@@H]2NCCc3cc(O)c(O)cc32)c(C(=O)O)c1OC 8473479 GILKJFYTVKBJOQ-INIZCTEOSA-N 345.351 2.048 10 40 EECB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1 24360958 YTUNKMYGWLHBGP-UHFFFAOYSA-N 348.424 2.018 10 40 EECB COc1cccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1O 77837585 MIDBLZVFXZLNBM-UHFFFAOYSA-N 328.368 2.273 10 40 EECB CC(=O)Nc1cc(NS(=O)(=O)c2ccc(C(C)=O)cc2)ccc1O 32815426 RADGOHIZNKUTDB-UHFFFAOYSA-N 348.380 2.354 10 40 EECB Oc1ccc(CC[C@@H](O)C[C@H](O)CCc2ccc(O)c(O)c2)cc1O 13377879 DACLCJIHILFMRQ-HUUCEWRRSA-N 348.395 2.186 10 40 EECB biogenic,in-vitro CC(C)[C@H](C(=O)NCCCSc1nccs1)N1CCCC1=O 71905639 KPQQNTWHQBVELJ-CYBMUJFWSA-N 341.502 2.389 10 40 EECB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCCC2)cc1 48237126 NJMPJSGDFZSPIU-CQSZACIVSA-N 341.411 2.315 10 40 EECB O=C(/C=C/C1CCCCC1)NCc1ccc(N2CCNC(=O)C2)cc1 72287254 XZAOPOTTWVDJMF-DHZHZOJOSA-N 341.455 2.376 10 40 EECB CC(=O)C(=O)CC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 101402974 NKCQYCWMGBFNIG-UHFFFAOYSA-N 349.342 2.427 10 40 EECB Cc1ccc(-n2cccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 6390483 KOIIOSUNFNENQI-UHFFFAOYSA-N 339.420 2.384 10 40 EECB CCOC(=O)c1cnn2c(O)cc(CNC(C)(C)C(F)(F)F)nc12 585116429 VAUFZROAUHYFFR-UHFFFAOYSA-N 346.309 2.042 10 40 EECB COC(=O)c1oc(CN(CCC(N)=O)c2ccc(OC)cc2)cc1C 25931094 JFHOYMZBIBANEO-UHFFFAOYSA-N 346.383 2.265 10 40 EECB O=C(CSc1nc(-c2cccnc2)n[nH]1)c1ccc(O)c(O)c1 9052550 QBUKOOOBRVBGFC-UHFFFAOYSA-N 328.353 2.253 10 40 EECB COc1ccc(N2CCN(Cn3c(=O)oc4ccccc43)CC2)cc1 58158736 RJXGPOCSGUBMIZ-UHFFFAOYSA-N 339.395 2.383 10 40 EECB Cc1cc(/C=C2\NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccccc1 408594877 PPIFZUQHKLXRAI-DHDCSXOGSA-N 339.351 2.071 10 40 EECB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OC(C)C 96193697 KFAAZDKQPRADIF-UHFFFAOYSA-N 346.383 2.306 10 40 EECB CCN(C)c1ccc(CNc2nn3c(=O)ccnc3s2)cc1F 71911584 LCSQFEOZGMKBBA-UHFFFAOYSA-N 333.392 2.358 10 40 EECB Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC(C)(CO)CO 97236702 MUDAUAFIGHTLQD-UHFFFAOYSA-N 336.457 2.219 10 40 EECB COc1ccc(N2CCC(NC(=O)COCC(F)(F)F)CC2)cc1 69513506 SANSZUPATAFAAM-UHFFFAOYSA-N 346.349 2.359 10 40 EECB C[C@@H](NC(=O)c1cccs1)C(=O)NCc1ccc(N(C)C)c(F)c1 58290526 WQTPKULRMRBPQA-LLVKDONJSA-N 349.431 2.388 10 40 EECB CCN1CCN(C2=NC(=O)/C(=C\c3ccc(O)c(OC)c3)S2)CC1 22079605 PVLSWAPMYYWMEV-RVDMUPIBSA-N 347.440 2.009 10 40 EECB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O 1140125 PTDVALOQJMISHZ-LCYFTJDESA-N 334.397 2.352 10 40 EECB CCN1C(=O)N=C(O)/C(=C\c2cn(CC(=O)O)c3ccccc23)C1=O 27570535 VRZKPYNHYJWCJM-KPKJPENVSA-N 341.323 2.048 10 40 EECB Cc1noc(C)c1CN(C)Cc1cc(=O)oc2cc(O)c(O)cc12 97234686 JRCORHLNOVCODW-UHFFFAOYSA-N 330.340 2.441 10 40 EECB O=C1/C(=C/c2cccnc2)SC(=S)N1C1=C[C@@H]2OCO[C@H]2C=C1 26771495 PXMBMNUNRHBUDY-QNVQFBBUSA-N 344.417 2.478 10 40 EECB CCN(CC)c1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1 4859513 UAHOQUCDBJYGKW-JXMROGBWSA-N 330.344 2.400 10 40 EECB Cc1cc(N2CCCC2)c(C)cc1CN1CCn2c(CO)nnc2C1 57822770 ODRPWLKSQKJGHX-UHFFFAOYSA-N 341.459 2.003 10 40 EECB COc1ccc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 58160690 ZVGOQFWTSMSXFZ-HNNXBMFYSA-N 331.460 2.265 10 40 EECB O=C1N=C(O)/C(=C\NN2CCCCC2)C(=O)N1CCc1ccccc1 38186982 XVVBXVNRKTXDSY-FYWRMAATSA-N 342.399 2.022 10 40 EECB CN1CCN([C@H](c2ccccc2)c2cc3c(cc2O)OCO3)CC1 20746140 YMPUCFJIGUUPLM-LJQANCHMSA-N 326.396 2.458 10 40 EECB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccc(O)c1 408852147 COKCUTPWEYQVKV-NTEUORMPSA-N 326.283 2.198 10 40 EECB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1C(C)C 408913075 KOEAHYRDLPWZJR-MDWZMJQESA-N 332.425 2.384 10 40 EECB Cn1cccc1/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 13126337 DQXYSIDVUYCADC-NTCAYCPXSA-N 327.384 2.377 10 40 EECB COCCn1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cn1 101225430 CAWJACBUBZNGJW-UHFFFAOYSA-N 341.415 2.227 10 40 EECB COc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1OC 12436466 RJMUQCUOEKPBKD-UVTDQMKNSA-N 334.397 2.006 10 40 EECB Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=N[C@@H]2c1ccccc1O 9289362 LTTDWWKVJTWFGC-INIZCTEOSA-N 339.399 2.072 10 40 EECB Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)cc1[N+](=O)[O-] 408813196 OQPCKTVJFMRYPA-AUWJEWJLSA-N 340.339 2.491 10 40 EECB COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(N)C1=O)S2 100508948 GFPURBZEYWWBQH-LUAWRHEFSA-N 325.440 2.140 10 40 EECB Cn1ncc2c1CCC[C@H]2NCc1ccc(N2CCOCC2)cc1 42797090 WHRDXZUWNOFSRU-GOSISDBHSA-N 326.444 2.424 10 40 EECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(O)c3)C2=O)cc1 446701 NGGSZFXQMXVZNY-XNTDXEJSSA-N 338.319 2.067 10 40 EECB CN1C(=O)C(=Cc2csc(-c3ccc(F)cc3)n2)C(=O)N(C)C1=O 14198505 GTYFDFVTPHMBGK-UHFFFAOYSA-N 345.355 2.383 10 40 EECB CC12CN3CC(c4ccccc4)(CN(C1)C3c1ccccc1O)[C@@H]2O 32124137 TVCINLRBECBVSU-BJODSLRWSA-N 336.435 2.341 10 40 EECB biogenic Cn1cnc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 66247361 FDJMBTGIWWJZAZ-UHFFFAOYSA-N 338.389 2.484 10 40 EECB CCN1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)CC1 19881430 WLBVOQKNXZSZOL-UHFFFAOYSA-N 339.244 2.025 10 40 EECB O=C(NCc1ccccc1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 84504896 LIGGDHZARMOTTA-UHFFFAOYSA-N 338.323 2.416 10 40 EECB COc1ccc(N2CCC[C@@]3(C2)CN(c2nncs2)CCO3)cc1 96226302 OAMWDTXHOOJWIZ-QGZVFWFLSA-N 346.456 2.423 10 40 EECB Cc1ccc(N2C(=O)/C(=C/c3cccn3C)C(=O)NC2=S)cc1C 555724 JKSDLJLZJKIXTM-XNTDXEJSSA-N 339.420 2.473 10 40 EECB O=C1NC(=S)NC(=O)C1=CNc1c2ccccc2nc2ccccc12 6025774 ODNPGEAJJGJOEB-UHFFFAOYSA-N 348.387 2.215 10 40 EECB O=C1C[C@@H](c2ccc(O)c(O)c2)c2cnn(Cc3ccco3)c2N1 85412577 JOFZTNBZADYPMH-LBPRGKRZSA-N 325.324 2.410 10 40 EECB CN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 65530035 VGFARLQEKVHOPW-INIZCTEOSA-N 345.443 2.278 10 40 EECB COc1ccc(N2CCCN(Cc3ccn(C)c(=O)c3)CC2)cc1 52467063 LINAEPVCVPWBIK-UHFFFAOYSA-N 327.428 2.106 10 40 EECB C[C@@H](C(=O)NCc1ccc(N2CCNC(=O)C2)cc1)c1cccs1 72291294 QAMXKTFZEGSBNO-CYBMUJFWSA-N 343.452 2.104 10 40 EECB O=C(Nc1nncs1)N(Cc1ccccc1O)C[C@H]1CCCO1 47320420 IHWLUXNHIJOODW-GFCCVEGCSA-N 334.401 2.457 10 40 EECB O=C(NN1C(=O)/C(=C/c2ccco2)SC1=S)c1ccncc1 1449327 GQDSXMRCQWOMTQ-FLIBITNWSA-N 331.378 2.221 10 40 EECB CSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C=C(C(=O)O)N2 102334229 XETPDRKOWCQWHF-GFCCVEGCSA-N 331.401 2.049 10 40 EECB CCN(C)c1ccc(CNC(=O)CCNC(=O)c2ccco2)cc1F 69769352 BGDIUUJACPFSQO-UHFFFAOYSA-N 347.390 2.311 10 40 EECB O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(O)CCC1 225403066 IWXBUXFQCUOZIK-AWEZNQCLSA-N 338.835 2.041 10 40 EECB COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3CCC[C@@H]3C)CC2)cc1 23114567 HXEMNXHJEFXNHD-ILZDJORESA-N 348.487 2.383 10 40 EECB CN(C)c1ccc([C@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@H]2N)cc1 35337505 WXYHLZGFKWPBNJ-KSZLIROESA-N 334.427 2.428 10 40 EECB O=C(O)CN1C(=O)/C(=C\c2cc(Cl)ccc2O)SC1=S 3213176 ALVBEVHIYVLGOM-RUDMXATFSA-N 329.786 2.331 10 40 EECB COc1ccccc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 55679222 UQKDWHUGXXMRNZ-UHFFFAOYSA-N 348.424 2.333 10 40 EECB O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cc[nH]n1 81203244 CNMFTDVFFRCMBT-LLVKDONJSA-N 336.342 2.410 10 40 EECB O=C(CCCn1cncn1)NCc1ccc(N2CCCCC2)cc1 63701813 WHPRQRWLOBIOPT-UHFFFAOYSA-N 327.432 2.365 10 40 EECB CCOC(=O)C1=C(C)[C@@H]2C(C)=NN[C@@H]2N[C@@H]1c1ccc(N(C)C)cc1 16682303 SOHCPBDKOKCLST-NXHRZFHOSA-N 342.443 2.198 10 40 EECB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1O 4992964 ZDEVVWDJMCNBEG-UKTHLTGXSA-N 344.367 2.195 10 40 EECB Cc1cc(N2CCCC2)ccc1/C=C\c1nc(O)c([N+](=O)[O-])c(=O)[nH]1 9355183 IPLQCVMJPLOMSB-ALCCZGGFSA-N 342.355 2.463 10 40 EECB COc1ccc(N2CCC(NC(=O)c3c(C)nn(C)c3C)CC2)cc1 78979569 PTUSSHVWXGLMBR-UHFFFAOYSA-N 342.443 2.444 10 40 EECB CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)Cn1cccn1 51476391 NQNXDBAXDHMHKA-LJQANCHMSA-N 328.460 2.366 10 40 EECB O=C1CN(c2ccc(CNC(=O)N3CCCCCCC3)cc2)CCN1 46984612 CTZXKTICUYRRBH-UHFFFAOYSA-N 344.459 2.099 10 40 EECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccccc2OC)SC1=S 1276975 HMEAVMYQSSWINZ-ZPBHHCQCSA-N 337.422 2.458 10 40 EECB CC(C)n1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c2ccccc21 408916953 JKCGSGDFCRDOOS-MDWZMJQESA-N 327.409 2.479 10 40 EECB c1cc2c(cc1N1CCC(NCCN3CCCCC3)CC1)OCO2 19346165 VHAFICQXNJIHMI-UHFFFAOYSA-N 331.460 2.460 10 40 EECB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OC 409024015 GZVXYADVJIAMRE-WDZFZDKYSA-N 340.788 2.464 10 40 EECB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2COCCO2)cc1 69704536 JKWXVPRPCKTMRK-AWEZNQCLSA-N 346.349 2.059 10 40 EECB COC(=O)c1cc(N)ccc1N1CCN(c2ccc(OC)cc2)CC1 225489683 JAKPVLLXKROUPH-UHFFFAOYSA-N 341.411 2.391 10 40 EECB CCN1C(=O)[C@H](Cc2cc3c(cc2OC)OCO3)SC1=S 6952512 MNMACXGLPAOSEH-LBPRGKRZSA-N 325.411 2.215 10 40 EECB Oc1cc2c(cc1CN1CCN(CCc3ccccc3)CC1)OCO2 23249148 RZAPVGKBVYDGOC-UHFFFAOYSA-N 340.423 2.481 10 40 EECB COc1ccc(N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1OC 71893074 SFRAJOHFTNYXKP-LLVKDONJSA-N 332.322 2.303 10 40 EECB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)cc1O 16428008 OTQOTHOPTHDCOX-QPEQYQDCSA-N 330.727 2.213 10 40 EECB COc1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 409393119 PCKVCZVJZIXFRF-PCSFBJKQSA-N 349.346 2.313 10 40 EECB COc1ccc(N2CCN(C(=O)CCCc3nc(C)no3)CC2)cc1 40553284 UJRAMDRDWDLIFQ-UHFFFAOYSA-N 344.415 2.058 10 40 EECB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)cc1 408917539 WQKMANORIIJIJV-ZROIWOOFSA-N 342.351 2.363 10 40 EECB COc1c2c(cc3c1[C@H](c1ccc(O)cc1O)N(C)CC3)OCO2 526570 ZINQKEBNSHWKFP-INIZCTEOSA-N 329.352 2.412 10 40 EECB biogenic Cc1n[nH]cc1CN[C@H](C)c1ccc(N2CCN(C)CC2)c(F)c1 71825360 AEHQLHQKOPFBDA-CYBMUJFWSA-N 331.439 2.460 10 40 EECB CCCCOc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O 408530043 IKAVBZKVUPBKKP-UHFFFAOYSA-N 338.816 2.433 10 40 EECB COCCN(CC(F)F)C(=O)NCc1ccc2c(c1)CCCN2C 71803456 QAAJNCRIIANSAK-UHFFFAOYSA-N 341.402 2.492 10 40 EECB COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 33551728 FVEWJLAHBKLLFT-RAXLEYEMSA-N 339.307 2.065 10 40 EECB CC[C@@H](C)N1C(=O)/C(=C\Nc2ccc(C(=O)O)cc2)C(=O)N=C1S 102510947 QUAQHVLEEDCGSB-ZPBHHCQCSA-N 347.396 2.134 10 40 EECB O=S(=O)(Nc1ccc2[nH]ncc2c1)c1cccc2nsnc12 19079952 DLPWUTKIJUHIPD-UHFFFAOYSA-N 331.382 2.368 10 40 EECB O=C(NCc1ccc(N2CCOCC2)cc1)NC1CCSCC1 75582299 HOLKDQNICFDKOO-UHFFFAOYSA-N 335.473 2.218 10 40 EECB CN(CC(=O)Nc1nnc(-c2ccco2)o1)c1ccc2c(c1)CCO2 95441915 PZVBVKYOTUDZET-UHFFFAOYSA-N 340.339 2.339 10 40 EECB CN(C)c1ccc(/C=C2\C(O)=NC(=S)N2C(=O)[C@H]2CCCO2)cc1 33757431 XJIUNSQJLHZFRN-JWAFFJSPSA-N 345.424 2.356 10 40 EECB CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1nncn1C 46964495 HIFGRHMHVBUNIH-ZDUSSCGKSA-N 330.436 2.174 10 40 EECB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(O)c(O)c2)C1=O 5884866 YJIRVMRHZHNZPX-WQLSENKSSA-N 338.319 2.073 10 40 EECB O=C(O)CN1C(=O)[C@H](CC(=O)c2ccc(Cl)cc2)SC1=S 16779104 MLHHBBGANFHAJH-JTQLQIEISA-N 343.813 2.226 10 40 EECB CN(C)c1ccc(CNC(=O)c2ccnc(-n3ccnc3)c2)cc1F 58281845 DMOCOQAJUFDXEQ-UHFFFAOYSA-N 339.374 2.402 10 40 EECB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3C)C2=O)c1 409083415 AJSOAHLKVWWKDX-RVDMUPIBSA-N 339.351 2.090 10 40 EECB Cc1noc(CCNC(=O)NCc2ccc(N3CCCCC3)cc2)n1 69703626 FZLPPGGNKGXXCE-UHFFFAOYSA-N 343.431 2.410 10 40 EECB CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1cccc2nsnc12 252502383 UPKUNIIKDAWWSM-UHFFFAOYSA-N 349.393 2.215 10 40 EECB O=C(NCc1cc[nH]n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 48301305 YYWOWEMUQONSCD-HNNXBMFYSA-N 330.388 2.006 10 40 EECB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cccc(O)c1 408769507 NDQKOPGFCHSOHD-HEUOVEHFSA-N 343.379 2.244 10 40 EECB COCCN1C(=O)c2ccccc2N[C@@H]1c1cc(O)c(O)c(OC)c1 25309735 FAMVXXJXNFEDOC-KRWDZBQOSA-N 344.367 2.319 10 40 EECB O=C1N=C(NCCCO)S/C1=C\c1ccc(Br)cc1 256055621 NOEZSXSHHWKKJI-FLIBITNWSA-N 341.230 2.391 10 40 EECB CN(c1ccc(O)c(O)c1)c1cn2c(nc(=O)n2C(C)(C)C)s1 405702 MHXVYPCCKNMQBA-UHFFFAOYSA-N 334.401 2.492 10 40 EECB COc1cccc(/C=C2\SC(N3CCOCC3)=NC2=O)c1OC 13942185 VTRMCMNJMVCJLL-RAXLEYEMSA-N 334.397 2.006 10 40 EECB O=C(Cc1ccc(F)cc1)N1CCN(C(=O)c2cc(O)cs2)CC1 101072784 CQLFOQGXQSADJQ-UHFFFAOYSA-N 348.399 2.120 10 40 EECB Cc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 29959269 UVBFWTNFAIKVAE-MRXNPFEDSA-N 346.452 2.353 10 40 EECB Cn1ccnc1-c1nccnc1[C@@H]1CCCN(Cc2cnccn2)C1 257247355 IYPORRNRCYUVBX-CQSZACIVSA-N 335.415 2.047 10 40 EECB CC(=O)Nc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 14256785 VANHGYWOCSRMGF-UHFFFAOYSA-N 348.409 2.451 10 40 EECB C[C@H](Nc1ncnc2c1cnn2C)c1ccc(N2CCOCC2)cc1 71831033 XERNJTVTQXMQGG-ZDUSSCGKSA-N 338.415 2.373 10 40 EECB Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1C 408741155 OEUQEDMTMQOTAO-UHFFFAOYSA-N 337.379 2.460 10 40 EECB O=C(NN1C(=O)/C(=C\c2cccnc2)SC1=S)c1cccnc1 8643073 GWTCCPYRIPWOGP-KPKJPENVSA-N 342.405 2.023 10 40 EECB Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 40474049 HSFOIOOZODLAFZ-AWEZNQCLSA-N 332.425 2.011 10 40 EECB Cn1nnc2cc(C(=O)NCc3ccc(N4CC=CC4)cc3)ccc21 101236037 PYAVIPYKZNJOQE-UHFFFAOYSA-N 333.395 2.275 10 40 EECB Cc1nn(-c2ccccc2)c(O)c1C=C1C(=O)OC(C)(C)OC1=O 5576169 KPYSABWLDFNOBP-UHFFFAOYSA-N 328.324 2.106 10 40 EECB Cc1oc2c(c1C(=O)NC[C@@H]1CCCO1)C(=O)c1ccccc1C2=O 79316 UQPPEIMDIHYWRS-NSHDSACASA-N 339.347 2.272 10 40 EECB Cc1cc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)no1 69841107 UXXBYZFVRNSHLI-AWEZNQCLSA-N 344.415 2.380 10 40 EECB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 96659666 NSMZCDYEWOHNCG-UHFFFAOYSA-N 348.380 2.199 10 40 EECB COc1ccccc1/C=C1\SC(=S)N(N2CCOCC2)C1=O 12492129 MKJKFTSKLUWPEU-RAXLEYEMSA-N 336.438 2.144 10 40 EECB CN1CC[C@@]23N[C@@H](N[C@@H](c4ccccc4O)[C@@H]2C1)c1ccccc1O3 1889219239 QIHWHUQGGDZXRB-QLIIJSOBSA-N 337.423 2.365 10 40 EECB COc1cc(/C=C2\CC(=O)N(c3ccccc3)C2=O)cc(O)c1O 61722076 KAAZZOZAPZOXSR-KPKJPENVSA-N 325.320 2.453 10 40 EECB Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 8231771 CFFBZHQYIVQDHS-MRXNPFEDSA-N 325.412 2.432 10 40 EECB C[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 71796091 VVJCHPWLNLPPQZ-MAUKXSAKSA-N 347.459 2.405 10 40 EECB COCCNC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)nc1 79031011 SGRXPKLYFHWKSE-UHFFFAOYSA-N 346.406 2.275 10 40 EECB COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCO3)CC2)cc1 69632718 NDJOVUBADIQOAI-KRWDZBQOSA-N 333.432 2.142 10 40 EECB NC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)c2ccccc2C3=O)C1 4030415 YNHMOFQAFZLZCS-GFCCVEGCSA-N 334.375 2.164 10 40 EECB Cc1cc(C)cc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 106320090 UJZZFAPSPRHEDT-DHDCSXOGSA-N 339.351 2.471 10 40 EECB COc1ccnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 52457631 MTLSOPBPCSZHOW-UHFFFAOYSA-N 332.379 2.198 10 40 EECB COc1ccc(N(CCN2C(=O)CNC2=O)Cc2ccccc2)cc1 69389514 KDIAOGACHDCSHZ-UHFFFAOYSA-N 339.395 2.254 10 40 EECB COc1cc(N2N=C(C)/C(=C/N3CCN(C)CC3)C2=O)ccc1Cl 408528452 GBXVOMTZXBOKCY-KAMYIIQDSA-N 348.834 2.202 10 40 EECB COc1ccc2c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c[nH]c2c1 6660304 IFIFXCWOZTXOEL-QCDXTXTGSA-N 348.405 2.462 10 40 EECB COC(=O)C1=C(C)NC(=O)/C1=C\Nc1ccc(OC(F)(F)F)cc1 100913998 UNEBBDUAJDURDZ-XFFZJAGNSA-N 342.273 2.458 10 40 EECB O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)NC1CCCC1 69739465 YJVCAZKYWBEJMS-KRWDZBQOSA-N 332.444 2.432 10 40 EECB CCc1cccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 408547113 ZRYPFOMAYPEZMB-GDNBJRDFSA-N 339.351 2.416 10 40 EECB O=[N+]([O-])c1cccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCS3)c1 22404148 YCDIURBBJNCJIT-QGZVFWFLSA-N 342.400 2.375 10 40 EECB CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cn(CC(C)C)cn1 390833428 HJOYBDHPFHILDJ-UHFFFAOYSA-N 337.401 2.248 10 40 EECB Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 40474048 HSFOIOOZODLAFZ-CQSZACIVSA-N 332.425 2.011 10 40 EECB COc1ccc(N2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)cc1 15680552 ZERUQZFJHUEMEL-UHFFFAOYSA-N 326.400 2.258 10 40 EECB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2ccccn2c1=O 32900077 QQKPIXGIWJYUND-UHFFFAOYSA-N 336.395 2.033 10 40 EECB O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1N1CCOCC1 2227099 APYJTZXKGVJVBA-XFXZXTDPSA-N 346.437 2.011 10 40 EECB COc1ccc(N/C=C2\C(=O)N(C)N=C2C(F)(F)F)c(OC)c1 100335031 YEIKHZWCQFJSFY-CLFYSBASSA-N 329.278 2.390 10 40 EECB Cn1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1=O 95956213 AOOLMBVKAWCVRG-UHFFFAOYSA-N 325.412 2.306 10 40 EECB CN1CCCc2cc(CNC(=O)CN3CCCCCCC3=O)ccc21 69960104 ILZOIQQWLFIZID-UHFFFAOYSA-N 343.471 2.478 10 40 EECB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2/NC(=O)NC2=O)c1C 13546778 COGXBXSIAWPCCA-RIYZIHGNSA-N 339.351 2.281 10 40 EECB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(C)C3=O)c2C)cc1 15010463 NWAYTNUYCCYKRC-MHWRWJLKSA-N 337.379 2.494 10 40 EECB CCN(C)c1ccc(CNC(=O)[C@@H](C)S(=O)(=O)C(C)C)cc1F 69633328 SJZJRWJMKHMBQF-GFCCVEGCSA-N 344.452 2.110 10 40 EECB O=C(O)CSc1ccc2c(c1C(=O)O)C(=O)c1ccccc1C2=O 3845262 NGSUTKJXKILISW-UHFFFAOYSA-N 342.328 2.337 10 40 EECB biogenic C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 48354984 XMRULFKIXKKUIT-XNJGSVPQSA-N 336.407 2.235 10 40 EECB CN1C(=O)C(=Cc2cc(Cl)c(O)c(Cl)c2)C(=O)N(C)C1=O 4860481 VNPWUSUVIOSQSE-UHFFFAOYSA-N 329.139 2.133 10 40 EECB CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCN(C)CC3)c12 19530704 HJZRMYRSMHLBMM-UHFFFAOYSA-N 345.443 2.116 10 40 EECB biogenic COc1ccc(N2CCN(C[C@H](O)COC3CCCC3)CC2)cc1 12419952 BETVKLDQMHZJQI-KRWDZBQOSA-N 334.460 2.137 10 40 EECB Cc1cc(=O)[nH]c(NNC(=S)Nc2ccc(Cl)c(F)c2)n1 15911975 USHNRGNEIWILEO-UHFFFAOYSA-N 327.772 2.184 10 40 EECB Cn1cc([C@@H](NC(=O)c2cccc(O)c2O)c2ccc(F)cc2)cn1 193168278 XGWKFRHBUFDRKY-INIZCTEOSA-N 341.342 2.490 10 40 EECB CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12 5047475 UEVBZABNKFGAJA-UHFFFAOYSA-N 333.384 2.364 10 40 EECB aggregator COc1ccc(N2CCN(C(=O)NCc3csc(C)n3)CC2)cc1 65401513 RAALLCYYBHYWIU-UHFFFAOYSA-N 346.456 2.492 10 40 EECB COCCn1c(C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1C 35109039 HCBFWWWUYPCECA-ATVHPVEESA-N 339.395 2.213 10 40 EECB CN1CC[C@@]23N[C@@H](N[C@@H](c4ccccc4O)[C@H]2C1)c1ccccc1O3 1889219237 QIHWHUQGGDZXRB-NMLACTOBSA-N 337.423 2.365 10 40 EECB OCCn1ncc2c(NCc3ccc(N4CCCC4)cc3)ncnc21 97200249 JYWNMSOZKJZXNO-UHFFFAOYSA-N 338.415 2.031 10 40 EECB COCCCN1C(=O)/C(=C\c2ccc(O)cc2)C(C(=O)OC)=C1C 2306958 IQLFYCIMAZIPLU-PTNGSMBKSA-N 331.368 2.101 10 40 EECB CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C 69656510 RUIYNBGLQFZMAF-GOSISDBHSA-N 343.471 2.476 10 40 EECB COc1ccc(N2CCO[C@H](c3cc(N(C)C)nc(C)n3)C2)cc1 72387801 PPJCBZPXJQCPRX-KRWDZBQOSA-N 328.416 2.438 10 40 EECB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(N2CCCC2)c(F)c1 19575896 BMXBSXTXBAXVEX-USXIJHARSA-N 333.451 2.065 10 40 EECB C[C@@H]1CC(C)(C)N(C)c2ccc(C=C3C(=O)NC(=S)NC3=O)cc21 113773164 YBLCSVFHLYASPJ-SNVBAGLBSA-N 343.452 2.323 10 40 EECB O=C(O)/C=C\C(=O)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 80316134 RQBUPGGSAPKHHS-LZNQSLFOSA-N 337.335 2.106 10 40 EECB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cc(=O)[nH]c2ccccc12 17905967 UEGRRUKVTLJLJU-UHFFFAOYSA-N 339.307 2.072 10 40 EECB CN1C(=O)C(=Cc2cccc(Br)c2)C(=O)N(C)C1=S 59139278 BYEBXWSRPHKJKZ-UHFFFAOYSA-N 339.214 2.048 10 40 EECB CNS(=O)(=O)c1cccc(CNCc2ccc(OC)c(C)c2)c1 66988831 VCYGVVJJESQFLJ-UHFFFAOYSA-N 334.441 2.202 10 40 EECB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]cn1 100422692 KCXKFLQLYARUFE-WJDWOHSUSA-N 327.363 2.378 10 40 EECB CCN(C)c1ccc(CNC(=O)C2(O)CCSCC2)cc1F 163808261 MMDALNOWSCLCRS-UHFFFAOYSA-N 326.437 2.156 10 40 EECB COc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 192630 AGZPIAFUAOPTCR-WJDWOHSUSA-N 336.347 2.357 10 40 EECB CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 69561574 GMKNALQIGFNOOE-INIZCTEOSA-N 335.423 2.299 10 40 EECB CCN1CCN(c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2F)CC1 71883015 MWLXIWOXCOPJCM-INIZCTEOSA-N 349.450 2.153 10 40 EECB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccccc2O)n2ncnc2N1 10157097 NERMLAHJMJXULT-MRXNPFEDSA-N 339.399 2.285 10 40 EECB CCCS(=O)(=O)NC1CCN(Cc2cc(C)c(C)cc2O)CC1 54514205 WLMXRZCVVFNQFS-UHFFFAOYSA-N 340.489 2.303 10 40 EECB COc1cccc(/C=C2/SC(=S)NC2=O)c1O[C@@H](C)C(=O)O 4743069 VWVXQRUYGJIVDR-FSEMZKDTSA-N 339.394 2.036 10 40 EECB O=C1NC(=S)NC(=O)C1=CNc1ccc(Cl)c(C(F)(F)F)c1 40476893 GHUGNMHYKXRCHZ-UHFFFAOYSA-N 349.721 2.186 10 40 EECB O=C(O)CN1C(=O)/C(=C\c2coc3ccccc3c2=O)SC1=S 1107665 IQHZUPWJYLGIFN-VZUCSPMQSA-N 347.373 2.079 10 40 EECB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cccc(OC)c1O 59959475 NHSNZBJIOKDNLP-LCYFTJDESA-N 331.368 2.482 10 40 EECB NC1=NC(=O)/C(=C\c2ccc3c(c2Br)OCO3)S1 6322582 XMMSAUCWIYDGFD-XVNBXDOJSA-N 327.159 2.107 10 40 EECB CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)C(C(=O)OC)=C1C 408585257 YFLUQGCGJPCYCT-JYRVWZFOSA-N 329.352 2.498 10 40 EECB CCN(CC)c1ccc(CN2CCc3nc(C)[nH]c(=O)c3C2)cc1 72389561 QEBCEXQINSRWNI-UHFFFAOYSA-N 326.444 2.483 10 40 EECB COc1ccc(N2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)cc1 46127823 ACSADXJSCXNOCC-UHFFFAOYSA-N 340.427 2.119 10 40 EECB COc1ccc(N(CCC(N)=O)CC(=O)N2CCCCCCC2)cc1 9157619 AYJOUMRYOIWPDL-UHFFFAOYSA-N 347.459 2.170 10 40 EECB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3O)C2=O)cc1 6088254 XLYBLSHVPHEYGN-RAXLEYEMSA-N 337.335 2.279 10 40 EECB O=C(NCCCSc1nccs1)NCCCn1ccnc1 75108333 LUJBYTFFHKBYAA-UHFFFAOYSA-N 325.463 2.211 10 40 EECB COc1ccc(NC(=O)C[C@@H]2SC(=S)NC2=O)cc1Cl 34926877 YFCXCXHBUNLEQL-VIFPVBQESA-N 330.818 2.194 10 40 EECB CN1C(=O)C(=Cc2ccccc2Br)C(=O)N(C)C1=S 3771652 HVPBOBVCXPNGKN-UHFFFAOYSA-N 339.214 2.048 10 40 EECB CN1C(=O)C(=Cc2csc(-c3cccs3)n2)C(=O)N(C)C1=O 71796350 UUQZSXUGUHGXHX-UHFFFAOYSA-N 333.394 2.305 10 40 EECB O=C(O[C@@H]1CCOC1=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 4563052 PPJCTGYMHDZVNS-OAHLLOKOSA-N 338.315 2.225 10 40 EECB O=C(NC[C@@H]1CCCO1)c1nc(-c2ccc(-n3cccc3)cc2)no1 1432163 AIABRDKEFPAHNH-HNNXBMFYSA-N 338.367 2.436 10 40 EECB COC(=O)c1cccc(NC(=O)COC(=O)c2cc(O)cs2)c1 69626866 DCRCGMOFRYVRAH-UHFFFAOYSA-N 335.337 2.036 10 40 EECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccccn3)C2=O)cc1C 408534363 QQNAUDWLPUDCRM-GXDHUFHOSA-N 336.351 2.277 10 40 EECB O=[N+]([O-])c1ccc(O)c(CN[C@@H](Cn2cncn2)c2ccccc2)c1 77404545 AAJIUKPGXKPSAG-INIZCTEOSA-N 339.355 2.423 10 40 EECB c1cnn(-c2ccc(CNCc3ccc(N4CCOCC4)cc3)cn2)c1 48710719 VMWCFDXFPKCVIR-UHFFFAOYSA-N 349.438 2.394 10 40 EECB CN(C)[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 89314049 NIZHDLGDRGPONQ-GFCCVEGCSA-N 328.507 2.361 10 40 EECB COc1ccc(N2CCN(c3ncnc4c(C)nn(C)c34)CC2)cc1 32649553 RIVOQJLEXHXDBJ-UHFFFAOYSA-N 338.415 2.007 10 40 EECB c1cnn(-c2cc(CNCc3ccc(N4CCOCC4)cc3)ccn2)c1 58245526 IIGHEJAHXGHRHR-UHFFFAOYSA-N 349.438 2.394 10 40 EECB O=C(O)/C=C\C(=O)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 80316141 RQBUPGGSAPKHHS-ZPIQOJFGSA-N 337.335 2.106 10 40 EECB COC(=O)/C=C/c1ccc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 26704999 TXHVAMIUWBQJJD-HWKANZROSA-N 348.355 2.124 10 40 EECB O=C(C1CC1)N1CCC(NCc2ccc(N3CCOCC3)cc2)CC1 42799475 MMQVEHULXZYQJK-UHFFFAOYSA-N 343.471 2.014 10 40 EECB Cc1nc(NCc2ccc(N3CCOCC3)cc2)c2cnn(C)c2n1 53583159 YFSGOTLMBYBYHH-UHFFFAOYSA-N 338.415 2.120 10 40 EECB COc1ccc(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC 58158953 XLVMEGJCASFUFB-UHFFFAOYSA-N 345.355 2.347 10 40 EECB Cc1cc(C(=O)N[C@H](C(N)=O)c2ccccc2)c(C)n1-c1ccccn1 71805638 RBUJDIXLGMRTFJ-SFHVURJKSA-N 348.406 2.446 10 40 EECB COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1Cl 408911385 NCZCCMAHGMQQAQ-XVNBXDOJSA-N 345.207 2.259 10 40 EECB COc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OC 88672 RJMUQCUOEKPBKD-GXDHUFHOSA-N 334.397 2.006 10 40 EECB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1ccccc1O)C2 225494759 FEQNYRXJNCHTDW-KRWDZBQOSA-N 327.428 2.299 10 40 EECB biogenic,in-vitro Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=N[C@H]2c1ccccc1O 9289363 LTTDWWKVJTWFGC-MRXNPFEDSA-N 339.399 2.072 10 40 EECB CCCC1=C(C(=O)OCC)[C@H](c2ccc(O)c(O)c2)n2ncnc2N1 5340140 RTYUWUVTUWTRSK-HNNXBMFYSA-N 344.371 2.322 10 40 EECB Cc1ccc(N2C(=O)NC(=O)/C(=C\NC3CCCC3)C2=O)c(C)c1 5737799 DPFUSFHEVFNVKR-GXDHUFHOSA-N 327.384 2.302 10 40 EECB CN1C(=O)/C(=C2/CC(=O)N(CCc3ccccc3)C2=O)c2ccccc21 13655883 ZRMAKYVMTDSSCH-MNDPQUGUSA-N 346.386 2.418 10 40 EECB COc1ccc(N2CCN(C(=O)C[C@@H]3CCCNCC3)CC2)cc1F 583623911 XLDGEEFYNUMDLE-OAHLLOKOSA-N 349.450 2.263 10 40 EECB C[C@H](NC(=O)NCCCSc1nccs1)c1cnn(C)c1 96468940 DNKLMUWMVVDJLU-JTQLQIEISA-N 325.463 2.419 10 40 EECB COc1ccc(-n2nnnc2CNC(=O)c2cc(C)cc(C)c2)cc1 17010502 WMCAZIZLYZXAKN-UHFFFAOYSA-N 337.383 2.218 10 40 EECB COc1ccc(N2CCN(C[C@@H](O)COC3CCCC3)CC2)cc1 12419949 BETVKLDQMHZJQI-QGZVFWFLSA-N 334.460 2.137 10 40 EECB COc1ccc(N2CCN(Cc3csc(NC(C)=O)n3)CC2)cc1 57323078 POLFKFOOCIMGCV-UHFFFAOYSA-N 346.456 2.432 10 40 EECB CCN(CC)c1ccc(N/C=C2/C(=O)N=C(S)N(C)C2=O)cc1 103089868 RQZNHCVBMFZFFX-RAXLEYEMSA-N 332.429 2.113 10 40 EECB COCCOc1ncccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O 71185375 LKPDKHJBIBAJBQ-LBPRGKRZSA-N 346.383 2.312 10 40 EECB CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)cnc1N 95939636 TUKPFDFVEXVMCX-UHFFFAOYSA-N 341.776 2.026 10 40 EECB CC(C)NC(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccccc2O)C1 53916209 CPNPVLIUJYKPCC-OAHLLOKOSA-N 333.432 2.181 10 40 EECB Oc1ccc(CC[C@H](O)C[C@H](O)CCc2ccc(O)c(O)c2)cc1 13341034 XLTITIJKWVRJMS-DLBZAZTESA-N 332.396 2.481 10 40 EECB biogenic,in-vitro CN1C(=O)C(=Cc2c(O)ccc3ccccc23)C(=O)N(C)C1=S 59139158 IKURZIHEUYEGPE-UHFFFAOYSA-N 326.377 2.144 10 40 EECB Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/O)C2=O)cc1C 101123381 ALWLBROEXJYUAI-YVMONPNESA-N 339.145 2.091 10 40 EECB CCOc1ccccc1/C=C1\SC(N2CCN(C)CC2)=NC1=O 13749119 AJNVFFKLBBCHQA-QINSGFPZSA-N 331.441 2.303 10 40 EECB CCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(C(=O)OC)=C1C 574471 KDHOKIGBPIUCBU-LCYFTJDESA-N 331.368 2.483 10 40 EECB COCCCN1C(=O)/C(=C/c2ccc(O)cc2)C(C(=O)OC)=C1C 4859813 IQLFYCIMAZIPLU-RVDMUPIBSA-N 331.368 2.101 10 40 EECB CCCCC12CN3CC(C)(CN(C1)C3c1ccc(O)cc1O)C2=O 19320121 WYHRZUFKROFQOP-UHFFFAOYSA-N 330.428 2.493 10 40 EECB biogenic Cc1ncccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 96404854 QLBJXQLDHCQMLF-UHFFFAOYSA-N 329.375 2.296 10 40 EECB COc1ccc(-n2nnnc2CNC(=O)Nc2ccc(C)cc2)cc1 9571347 PUUYMJFVISTIIE-UHFFFAOYSA-N 338.371 2.301 10 40 EECB C[C@@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 20790002 PDHFEUHROFJSSL-UZNLNLPZSA-N 345.443 2.115 10 40 EECB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2)C1 55916218 LSLVTLZAWKEZTA-SJORKVTESA-N 341.455 2.361 10 40 EECB c1cn(-c2ccc(CNCc3ccc(N4CCOCC4)cc3)cn2)cn1 48364065 KLUFQVXEOZWJKB-UHFFFAOYSA-N 349.438 2.394 10 40 EECB COC(=O)c1cc(CN(C)Cc2cc3c(cc2O)OCO3)oc1C 28793170 LWYISMDZEOEWRU-UHFFFAOYSA-N 333.340 2.441 10 40 EECB O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1CC1(Cl)Cl 195542842 WNNIUSOFBXYUMA-NSHDSACASA-N 346.233 2.045 10 40 EECB O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccc(Br)cc1 34926769 LAKNDSSREWJBSH-QMMMGPOBSA-N 345.243 2.294 10 40 EECB c1cnc(N2CCOCC2)c(CNCc2ccc3c(c2)CCO3)c1 54174544 GYJNWONBTAPAKM-UHFFFAOYSA-N 325.412 2.143 10 40 EECB O=C1/C(=C/c2cccs2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2069267 JKCQEAOLCMVAGR-KZSPTFSBSA-N 345.492 2.136 10 40 EECB CN(C)c1ccc([C@H]2Nc3ncnn3[C@H](c3ccccc3)[C@@H]2N)cc1 15830373 WXYHLZGFKWPBNJ-KZNAEPCWSA-N 334.427 2.428 10 40 EECB COc1ccc(N2C(=O)C/C(=C\c3ccc(O)c(O)c3)C2=O)cc1 8992324 LYFATQPROVEYST-XYOKQWHBSA-N 325.320 2.453 10 40 EECB O=C(/C=C/c1cscn1)NCc1ccc(N2CCOCC2)cc1 50605542 KORSDECHCZKHHZ-ZZXKWVIFSA-N 329.425 2.309 10 40 EECB CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(C3CC3)no2)cc1 15674783 SNCZMSPLEGAWJU-CVEARBPZSA-N 328.416 2.321 10 40 EECB biogenic,in-vitro CN(C)c1ccc(CNC(=O)CNC(=O)Nc2ccccc2)cc1 12561668 JRYGCSCYKLHBNG-UHFFFAOYSA-N 326.400 2.191 10 40 EECB Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)no1 76020029 ILLDCRFORFVLFK-UHFFFAOYSA-N 333.363 2.013 10 40 EECB COc1ccc(CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C 76020639 HSHRVYKLPQFVTI-WMZOPIPTSA-N 346.383 2.096 10 40 EECB Cc1nn(C)c(C)c1/N=c1\scc(-c2ccc(O)c(O)c2O)n1C 101717564 CSVJGQDMUCKLAJ-MSUUIHNZSA-N 346.412 2.453 10 40 EECB O=C(O)CN1C(=O)/C(=C\C=C\c2ccc([N+](=O)[O-])o2)SC1=S 4264263 JEUNPFQODSMQJV-URUMLEIASA-N 340.338 2.030 10 40 EECB CCn1cc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cn1 71888963 FHYAGZQUKNKMSR-VMPITWQZSA-N 326.400 2.392 10 40 EECB COc1ccsc1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 95427897 UQRSYRWZTIMXIB-UHFFFAOYSA-N 349.431 2.235 10 40 EECB COC(=O)/C=C/c1ccc(N2[C@H]3CC[C@H]2CN(C)C3)c([N+](=O)[O-])c1 585134573 APVSZFOZNMYKHA-CSNMRHKHSA-N 331.372 2.064 10 40 EECB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 13124444 ZJQSYMCEKYUWQZ-HNNXBMFYSA-N 327.388 2.196 10 40 EECB O=C1NC(=S)S/C1=C/c1ccc(SCCO)c([N+](=O)[O-])c1 6224375 ZVTILLZZFPVIQT-UXBLZVDNSA-N 342.423 2.168 10 40 EECB CC(C)CCN(C)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 5481723 JKSLUDQTCWGVON-UHFFFAOYSA-N 331.441 2.083 10 40 EECB O=C(CCNCc1ccc(N2CCOCC2)c(F)c1)N1CCCCC1 66973245 BKIMFPCECVMOEM-UHFFFAOYSA-N 349.450 2.155 10 40 EECB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(C)c1 95428549 QPXGXQMHJPOYAP-UHFFFAOYSA-N 338.341 2.418 10 40 EECB C[C@H]1Cc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)ccc2O1 16810396 WYJABGHIMMJYBZ-QJZKUFFDSA-N 335.406 2.296 10 40 EECB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1 4541473 IQZFGPGBRYAOCE-UHFFFAOYSA-N 340.379 2.400 10 40 EECB Cc1cc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccn(C)n2)n(C)n1 8549334 ZVPPAGXAZPXQIW-FOWTUZBSSA-N 346.394 2.297 10 40 EECB CCNC(=O)NC(C)(C)C(=O)NCc1ccc(N2CCCCC2)cc1 79095011 NRYQLQRVNKVDEV-UHFFFAOYSA-N 346.475 2.391 10 40 EECB O=CC(=O)Cc1ccc(N=[N+]([O-])c2ccc(CC(=O)C=O)cc2)cc1 104390992 WRXHQWBGGZKUCE-UHFFFAOYSA-N 338.319 2.233 10 40 EECB CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)[C@@H]1CCNC1 252495728 OXXUJQDZTSKOCN-QGZVFWFLSA-N 345.487 2.260 10 40 EECB Cc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(C)C1=O 408909200 FOXYSDSEKWUMEA-RVDMUPIBSA-N 343.452 2.242 10 40 EECB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccccc1F 115176 FILNUXTXFPOAGU-LCYFTJDESA-N 341.342 2.325 10 40 EECB Cc1occc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 55916781 NAJVXCIXQOOHDD-OAHLLOKOSA-N 341.411 2.220 10 40 EECB C[C@@H](NC[C@@H]1CNc2ccnn2C1)c1ccc(N2CCOCC2)cc1 58299754 FSLVMQDJAPGDMI-HZPDHXFCSA-N 341.459 2.112 10 40 EECB CC(=O)Nc1ccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc1 32099693 RUCRZAQJCJXUIO-YBEGLDIGSA-N 339.326 2.246 10 40 EECB COc1ccc(N2CCN(c3nc(C)nc4c3cnn4C)CC2)cc1 54041693 WLUATCWDSIARBI-UHFFFAOYSA-N 338.415 2.007 10 40 EECB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(OC)c(C)c1 84736302 BWAFDHJIZGZBBQ-CVEARBPZSA-N 340.489 2.153 10 40 EECB Cc1cccc(N2C(=O)/C(=C/c3cccn3C)C(=O)NC2=S)c1C 409106811 PJCKZADNUSUADI-GXDHUFHOSA-N 339.420 2.473 10 40 EECB C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc2c(c1)CCCN2C 58355668 DXZKBGZYFPFLEK-CYBMUJFWSA-N 341.411 2.097 10 40 EECB O=c1[nH]c(/C=C/c2ccc(N3CCCC3)cc2)nc(O)c1[N+](=O)[O-] 9235040 RYHVMLQKWKJOBS-VMPITWQZSA-N 328.328 2.154 10 40 EECB O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@H]1CC1(Cl)Cl 195542843 WNNIUSOFBXYUMA-LLVKDONJSA-N 346.233 2.045 10 40 EECB Cc1cc(NCc2ccc(N3CCNC(=O)C3)cc2)ccc1[N+](=O)[O-] 52049661 IEUDEJWOPYMADZ-UHFFFAOYSA-N 340.383 2.452 10 40 EECB O=C(O)CCN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S 2225040 QDWGUMMVADLWCN-JXMROGBWSA-N 333.394 2.239 10 40 EECB O=C1CN(c2ccc(CNC(=O)c3cccc(Cl)c3)cc2)CCN1 40519955 SZUHNBMIOZAIIP-UHFFFAOYSA-N 343.814 2.206 10 40 EECB Cc1ccc(N2C(=O)N=C(O)/C(=C\NN3CCCCC3)C2=O)cc1 34236462 XIRVGFOLUYDPMF-SDNWHVSQSA-N 328.372 2.293 10 40 EECB CCCn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 5100059 BBDQCSKRVTUDJW-UHFFFAOYSA-N 325.368 2.485 10 40 EECB Cc1cc(N2CCCC2)ccc1/C=C/c1nc(O)c([N+](=O)[O-])c(=O)[nH]1 9295530 IPLQCVMJPLOMSB-FNORWQNLSA-N 342.355 2.463 10 40 EECB O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc(O)cs2)CC1 101072627 OIZIPLFBUCEGDG-UHFFFAOYSA-N 334.372 2.191 10 40 EECB Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@@H]1CO 195579325 QOLMYCFDXLBEDV-CQSZACIVSA-N 331.441 2.163 10 40 EECB C[C@H](NCc1ccc(N2CCOCC2)cc1)c1nnc2n1CCCC2 78880171 AWQOVQNXMRLPFT-HNNXBMFYSA-N 341.459 2.302 10 40 EECB CN(C)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1 42385205 REGBRBXTAPKIBZ-INIZCTEOSA-N 329.444 2.017 10 40 EECB Cc1ccc(NC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)nc1 8990926 CLULLWGSQSCOIB-UHFFFAOYSA-N 340.335 2.397 10 40 EECB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccccc1 100815009 YPBUMSOYENEQLR-GXDHUFHOSA-N 325.299 2.405 10 40 EECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(O)c3)C2=O)cc1 88107 JGGGIVYBGMGZLU-MDWZMJQESA-N 338.319 2.073 10 40 EECB Cc1ccc(N2C(=O)N=C(O)/C(=C/NC[C@@H]3CCCO3)C2=O)cc1C 102486977 INCPQAIZLAVDNT-QTNMRXCUSA-N 343.383 2.379 10 40 EECB COC(=O)c1ccccc1NS(=O)(=O)c1cccc2nsnc12 14257115 KZWHWGYZJJLFCR-UHFFFAOYSA-N 349.393 2.279 10 40 EECB Cc1cc(C)n(Cc2nc(-c3ccc(O)c(O)c3)cs2)c(=O)n1 71792478 IGOQOBIKFFXXTL-UHFFFAOYSA-N 329.381 2.443 10 40 EECB CC(C)n1cc(S(=O)(=O)N(Cc2ccc(N)cc2)C2CC2)cn1 158346723 UXWLNDAHDXAXMH-UHFFFAOYSA-N 334.445 2.400 10 40 EECB COC(=O)c1c(C)sc([C@@H](O)C(=O)c2cccc(OC)c2)c1O 6668004 UUHRJQUFGZJZKV-AWEZNQCLSA-N 336.365 2.474 10 40 EECB CC(=O)N1CC[C@H](CN(C)C(=O)NCc2ccc(N(C)C)cc2C)C1 95438089 KWXAQVNQPLHDDI-MRXNPFEDSA-N 346.475 2.071 10 40 EECB CCn1c(=O)n(CC(=O)N(C)Cc2ccccc2O)c2ccccc21 42116990 NGWVWTZBHVMGJH-UHFFFAOYSA-N 339.395 2.187 10 40 EECB COc1cccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c1O 4812586 IYDVHYBSQWPNII-UDDXXMGHSA-N 348.424 2.480 10 40 EECB CCCCS(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 71916216 IWTVDDOXZQKYLH-UHFFFAOYSA-N 340.489 2.115 10 40 EECB Cc1ccccc1/C=C1/SC(=S)N(CCS(=O)(=O)O)C1=O 27533452 UEIJUKZCXSIKFJ-DHZHZOJOSA-N 343.451 2.084 10 40 EECB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/NC(=O)N(C)C2=O)o1 409192581 YUEMIFPVNBINER-MDWZMJQESA-N 326.308 2.476 10 40 EECB Cn1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c2ccccc21 13602823 ALNMHYLYLHNCQJ-SDQBBNPISA-N 332.406 2.464 10 40 EECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 1236360 DXRYHIVTXJZNBI-ZPBHHCQCSA-N 337.422 2.458 10 40 EECB CN1CCC(NC(=O)CSc2ncc(-c3ccccc3)n2C)CC1 104826938 NHNSYWNZIFDMSY-UHFFFAOYSA-N 344.484 2.390 10 40 EECB Cc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1 26404890 CQNGAYPBFQGJGJ-UHFFFAOYSA-N 325.412 2.499 10 40 EECB CCc1noc(CN(C)C(=O)NCc2ccc3c(c2)CCCN3C)n1 69821674 DVFLGEFUWFMMIG-UHFFFAOYSA-N 343.431 2.356 10 40 EECB C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C(=O)O)cc2)SC1=S 6007835 ZESOFMKNZLWPSB-VSUWBIFXSA-N 337.378 2.059 10 40 EECB CC(=O)N1[C@@H](C(=O)NC2CCCC2)CS[C@H]1c1ccccc1O 4699311 VFNIRURYDWTBMY-PBHICJAKSA-N 334.441 2.414 10 40 EECB O=C([C@H](CNCc1ccccc1O)c1ccccc1)N1CCOCC1 78553700 AVCISVMWDPLMEN-GOSISDBHSA-N 340.423 2.124 10 40 EECB Nc1ccc(CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 575422882 XKEFOBKRFURYQA-SFHVURJKSA-N 330.453 2.458 10 40 EECB CN1CCCc2cc(CNC(=O)CCNC(=O)C(C)(C)C)ccc21 58289877 LQICRFYHBNPJIY-UHFFFAOYSA-N 331.460 2.238 10 40 EECB O=C1c2ccccc2C(=O)C12[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]2[N+](=O)[O-] 5604713 TXGJGGKFQSGTJA-ZIAGYGMSSA-N 338.275 2.403 10 40 EECB O=C1CSC(=S)N1CCCCCCN1C(=O)CSC1=S 1746891 SDPTXUTYVKLBKU-UHFFFAOYSA-N 348.540 2.267 10 40 EECB C[C@@H]1CCc2cc(F)ccc2N1C=C1C(=O)N(C)C(=S)N(C)C1=O 98086678 YXQIRSPGPWWQFI-SNVBAGLBSA-N 347.415 2.066 10 40 EECB OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1ccc(O)cc1O 585291555 ACQXPWGZRZJFLG-JFIYKMOQSA-N 349.814 2.072 10 40 EECB CN1C(=O)C(=Cc2ccc(Sc3ccccn3)o2)C(=O)N(C)C1=O 13602219 QIAFBIQIJRBEAJ-UHFFFAOYSA-N 343.364 2.260 10 40 EECB COc1cc(N2CCOCC2)ccc1/C=C1/SC(=S)NC1=O 409245088 NFEZSVQIKRIZGG-MDWZMJQESA-N 336.438 2.021 10 40 EECB COCCN1C(=O)[C@H](Cc2ccc(OC)c(C)c2)SC1=S 8336404 ZSRACBONDUKMCZ-ZDUSSCGKSA-N 325.455 2.421 10 40 EECB NC(=O)c1c(NS(=O)(=O)c2cccs2)sc2c1CCC2 27924584 UFZKJYCIPZOBSY-UHFFFAOYSA-N 328.440 2.198 10 40 EECB Cc1cc(C2=NN(c3ccccc3)C(=O)/C2=C/c2cnn(C)c2)n(C)n1 8549337 CNZSYMMSDXYSRN-MHWRWJLKSA-N 346.394 2.297 10 40 EECB CN(Cc1ccccc1O)C(=O)c1cccc(NS(C)(=O)=O)c1 42117159 MDRFMUCYYXTMBY-UHFFFAOYSA-N 334.397 2.036 10 40 EECB CCN(C)c1ccc(CNC(=O)CNC(=O)c2ccoc2C)cc1F 69737280 JJPYRJFFGZTMGY-UHFFFAOYSA-N 347.390 2.229 10 40 EECB CCNc1nc(NCC)n2c(SCC(=O)C(C)(C)C)nnc2n1 1772013 MOTRIYPYBXAWDL-UHFFFAOYSA-N 337.453 2.090 10 40 EECB C[C@@H]1CC(C)(C)N(C)c2ccc(C=C3C(=O)NC(=O)NC3=O)cc21 113774019 HRBDSAMIPUKELJ-SNVBAGLBSA-N 327.384 2.158 10 40 EECB C[C@@H]1CCCCN1S(=O)(=O)NCCCSc1nccs1 69658044 MATLYOCTACIODA-LLVKDONJSA-N 335.520 2.334 10 40 EECB O=C(O)[C@@H]1CCCN1Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3 1738810717 RIMDVLAQARLUMA-HNNXBMFYSA-N 343.379 2.426 10 40 EECB COc1cccc(N2CCN(Cc3cc4c(cc3O)OCO4)CC2)c1 27495044 PGNURTDLBKCFAI-UHFFFAOYSA-N 342.395 2.452 10 40 EECB Cc1n[nH]cc1CN[C@@H](C)c1ccc(N2CCN(C)CC2)c(F)c1 71825359 AEHQLHQKOPFBDA-ZDUSSCGKSA-N 331.439 2.460 10 40 EECB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 12534623 RVHHJNMFPHZYKO-UHFFFAOYSA-N 346.452 2.344 10 40 EECB CN1/C(=C2/SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21 4645949 RPTCCZCUFYQVQQ-BENRWUELSA-N 338.435 2.343 10 40 EECB O=C1N=C(N2CCOCC2)S/C1=C/C1=Cc2ccccc2OC1 80576 GCGRCTVWLSKSEZ-XNTDXEJSSA-N 328.393 2.308 10 40 EECB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1c[nH]c2ccccc12 4682270 MYKBTMUFDNYMCJ-RIYZIHGNSA-N 332.319 2.229 10 40 EECB Cc1cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c(C)n1-c1ccccn1 71805639 RBUJDIXLGMRTFJ-GOSISDBHSA-N 348.406 2.446 10 40 EECB O=C(CCNCc1ccc(N2CCOCC2)c(F)c1)NC1CCCC1 66989071 YWEMAQMFENOSER-UHFFFAOYSA-N 349.450 2.201 10 40 EECB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1O 408892610 BMKJPYFAADYGHY-LUAWRHEFSA-N 326.283 2.198 10 40 EECB O=C1/C(=C\c2ccccc2)SC(=S)N1CCN1CCOCC1 96935890 YAVCUDSVKODAAT-WYMLVPIESA-N 334.466 2.220 10 40 EECB COc1ccc(N2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)cc1 71828035 UTFNERZVVARAIU-INIZCTEOSA-N 342.443 2.418 10 40 EECB O=C1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2N1 5602413 NSTFHNGEZQJFEJ-UHFFFAOYSA-N 346.364 2.101 10 40 EECB O=C1OC2(CCCC2)OC(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCO2 58866063 LAMYBWVOGKLEAI-UHFFFAOYSA-N 347.279 2.077 10 40 EECB O=C(O)CCN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S 5214035 LPEJEQCBERIQPA-YFHOEESVSA-N 337.378 2.061 10 40 EECB CC(C)Nc1cc(NCCO)c(N)c2c1C(=O)c1ccccc1C2=O 5452411 ZTFVDWWKQVZSJF-UHFFFAOYSA-N 339.395 2.269 10 40 EECB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3C=CCC3)cc2)C1 55916791 VVQUKNLOPYLSAY-WBVHZDCISA-N 341.455 2.361 10 40 EECB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1F 32585274 NGAMKFSOVDIYCH-UHFFFAOYSA-N 325.317 2.364 10 40 EECB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)c(O)c1 359129 HRAYLQOFKFSAJS-KPKJPENVSA-N 330.727 2.213 10 40 EECB CN1C(=O)C(=Cc2nc(-c3ccccc3)cs2)C(=O)N(C)C1=O 71794697 FSDVYNBKMUSLRB-UHFFFAOYSA-N 327.365 2.244 10 40 EECB COC(=O)c1c(C)sc([C@H](O)C(=O)c2cccc(OC)c2)c1O 6668003 UUHRJQUFGZJZKV-CQSZACIVSA-N 336.365 2.474 10 40 EECB Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 8777855 WLTQHHYIEYOBES-QGZVFWFLSA-N 346.452 2.353 10 40 EECB O=C(O)CCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2225042 QDWGUMMVADLWCN-YFHOEESVSA-N 333.394 2.239 10 40 EECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(C)cc(C)c1 102675819 VHFKZYZRTVMCOQ-HVVQPJKBSA-N 347.440 2.004 10 40 EECB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1OC 249288 YKLUPRIGJNZJII-UHFFFAOYSA-N 337.353 2.233 10 40 EECB aggregator COc1ccc(N(CCC(N)=O)CC(=O)N[C@H]2CCCC[C@@H]2C)cc1 32757634 RCTHYBGBSFTNBB-YOEHRIQHSA-N 347.459 2.072 10 40 EECB Cc1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c1C 453759 GOFDOJQXDKQOJS-GDNBJRDFSA-N 337.379 2.494 10 40 EECB Cc1cc(C(=O)OCC(=O)N2CCCC2=O)c(C)n1-c1ccccc1 3514448 YSOOSCBNEGNZKB-UHFFFAOYSA-N 340.379 2.400 10 40 EECB O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2ccccc2F)cc1 408866969 IPSSVYSBMORKKE-UHFFFAOYSA-N 340.379 2.331 10 40 EECB CCc1ncncc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 55878605 UMITZEYWWSYGKN-UHFFFAOYSA-N 340.427 2.400 10 40 EECB CC(C)c1ccc2nc(NC=C3C(=O)NC(=O)NC3=O)sc2c1 13999596 DDKKHPCUVCVXIL-UHFFFAOYSA-N 330.369 2.082 10 40 EECB COc1ccc(N2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cc1 8741019 MRVHEYFMIHCLIU-UHFFFAOYSA-N 340.427 2.260 10 40 EECB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 69703242 GGOAHEQEVWMTQO-LSDHHAIUSA-N 346.475 2.341 10 40 EECB COc1ccc(N(CCC(N)=O)CC(=O)N[C@H]2CCCC[C@H]2C)cc1 34892099 RCTHYBGBSFTNBB-PBHICJAKSA-N 347.459 2.072 10 40 EECB CCOc1ccc(N2C(=O)/C(=C\c3cccn3C)C(=O)N=C2O)cc1 13553137 GREFSOCIZDYYGB-PTNGSMBKSA-N 339.351 2.295 10 40 EECB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 32287542 VULLEXVJTFLALE-XNTDXEJSSA-N 339.351 2.008 10 40 EECB CC1=NN(c2ccccc2)C(=O)/C1=C/N/N=c1\[nH]ncc2ccccc12 102915192 YALAISJDIXLSTN-SFQUDFHCSA-N 344.378 2.275 10 40 EECB CN(C)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 7908227 RBNSGQDKTGQXLF-UHFFFAOYSA-N 335.385 2.139 10 40 EECB O=C1/C(=C\[C@H]2CC=CCC2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 33409045 VBZDNIQQRWGYJF-UKOINSAQSA-N 343.495 2.274 10 40 EECB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1 4174699 ZCHFCTSNSZPMEI-WQLSENKSSA-N 337.422 2.460 10 40 EECB CCOc1cc(/C=C2/SC(=S)NC2=O)cc([N+](=O)[O-])c1O 3208020 NFZYLQTVDPDFAD-WEVVVXLNSA-N 326.355 2.188 10 40 EECB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\NC(=O)NC2=O)c1C 13424463 DVXXSGBRUGVNFD-ZSOIEALJSA-N 339.351 2.281 10 40 EECB O=C(NC1CCC(O)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 42962252 NQBFLLPCSPJIFD-JCYILVPMSA-N 348.443 2.386 10 40 EECB N=C1NC(=O)/C(=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)S1 59596963 MVZQAYWDYOVRIV-SDQBBNPISA-N 330.321 2.489 10 40 EECB Cc1c(CN2CCOCC2)cc(C(C)C)c(O)c1CN1CCOCC1 31637369 PBVYPADTMDCSCC-UHFFFAOYSA-N 348.487 2.488 10 40 EECB O=C1NC(=S)S/C1=C\C=C\c1cn(Cc2ccccc2)nn1 8220412 WNXJRTGLPAKMMK-XOHVCTMJSA-N 328.422 2.371 10 40 EECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccccc2OC)SC1=S 1276973 HMEAVMYQSSWINZ-RILYUOAZSA-N 337.422 2.458 10 40 EECB O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccco1 12954083 YNACZJUWWFCMTM-XFFZJAGNSA-N 331.378 2.221 10 40 EECB COc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccs2)C1=O 79526 VIBLEBLZTXFQLD-PKNBQFBNSA-N 328.349 2.423 10 40 EECB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnsn2)cc1 69453741 KXWIWLUMZYEXNW-OAHLLOKOSA-N 346.456 2.426 10 40 EECB CC1=CC(c2ccccc2)=NC2=S=C(C(=O)C(F)(F)F)C(=O)N12 1554502619 USOWYRGRYMSTPS-UHFFFAOYSA-N 338.310 2.360 10 40 EECB C[C@@H](NC(=O)c1ccc(O)nc1)c1ccc(N2CCN(C)CC2)cc1 55710813 BRSOGVVSRLQKNJ-CQSZACIVSA-N 340.427 2.030 10 40 EECB CN1C(=O)C(=CNc2cc(Cl)cc(Cl)c2)C(=O)N(C)C1=O 2550922 SSSQBIJAJCQPBJ-UHFFFAOYSA-N 328.155 2.340 10 40 EECB CCCCN1CCc2cc(/C=C3/C(=O)NC(=S)N(C)C3=O)ccc21 13842505 DWRXCUWNJZTRFS-KAMYIIQDSA-N 343.452 2.106 10 40 EECB COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(O)cc3O)C[C@@H]21 1458802 DEKCAPSOTIRXGJ-ZDUSSCGKSA-N 340.335 2.420 10 40 EECB CN1C(=O)N=C(O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 2909605 AOLLMUCGNRVSFP-UKTHLTGXSA-N 340.295 2.317 10 40 EECB O=C1N=C(O)N(c2cccc(Cl)c2)C(=O)/C1=C\NN1CCCCC1 17138109 CXQDCUNPSCFYGG-RAXLEYEMSA-N 348.790 2.002 10 40 EECB Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccn1 16755628 IDPBMGJORXYSIR-UHFFFAOYSA-N 342.380 2.263 10 40 EECB CCOc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 331566 HBYQWQBRACAEGZ-GDNBJRDFSA-N 340.335 2.340 10 40 EECB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(O)cc1 101469832 QBOYSRYBIKIHOZ-FZFLATATSA-N 337.339 2.341 10 40 EECB CN1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S 9419631 YOQJUSICRWJLAG-UUILKARUSA-N 346.389 2.088 10 40 EECB N=C1/C(=C\c2ccc(Br)o2)C(=O)N=C2SC=NN12 4589398 FXLHDMKUPLWZNU-NHOVPEQPSA-N 325.147 2.291 10 40 EECB Oc1c(Br)cc(Br)cc1CNn1cnnc1 4599199 CBZHYMQOCJDUOJ-UHFFFAOYSA-N 347.998 2.252 10 40 EECB COCCNc1cc(N(C)C)c(N)c2c1C(=O)c1ccccc1C2=O 6664833 GLFXHPFBKIXUQD-UHFFFAOYSA-N 339.395 2.169 10 40 EECB O=C1NC(=S)S/C1=C/NNc1ccc(Br)cc1 101647474 LVODZSXUMZMYIA-VMPITWQZSA-N 330.232 2.355 10 40 EECB COc1ccc(N(CC(=O)N2CCOCC2)Cc2ccco2)cc1F 72292484 QKHCGDWUNFLIEY-UHFFFAOYSA-N 348.374 2.293 10 40 EECB CCCCCC([C@@H]1SC(=S)NC1=O)[C@H]1SC(=S)NC1=O 17129379 NVDSHKQHDGYWIO-IEESLHIDSA-N 348.540 2.216 10 40 EECB COc1ccc(-n2nnnc2CNC(=O)c2ccccc2Cl)cc1 10591811 QGOQOJQFBHRNFG-UHFFFAOYSA-N 343.774 2.254 10 40 EECB COc1c2c(cc3c1[C@@H](c1ccc(O)cc1O)N(C)CC3)OCO2 526567 ZINQKEBNSHWKFP-MRXNPFEDSA-N 329.352 2.412 10 40 EECB biogenic CCN(CC)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 4084182 NORLRRLGRGZCIC-UHFFFAOYSA-N 343.404 2.493 10 40 EECB CNc1ncc(CN2CCCN(c3ccc(OC)cc3)CC2)cn1 19592387 COQIECZYHOAJHZ-UHFFFAOYSA-N 327.432 2.239 10 40 EECB COc1cc(OC)c([C@H]2NCCc3cc(O)c(O)cc32)cc1OC 3719666 WDUBPLAZSFKTLW-SFHVURJKSA-N 331.368 2.359 10 40 EECB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccccc1O 101469888 CNUMNJCGQABUAA-FZFLATATSA-N 337.339 2.341 10 40 EECB Cc1cc(CNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1N(C)C 69924584 WVCLNTJBGOJAFX-UHFFFAOYSA-N 346.452 2.395 10 40 EECB Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c(C)n1-c1ccccn1 73745019 HNWOZRLBLXGBHZ-UHFFFAOYSA-N 341.411 2.468 10 40 EECB COc1ccc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C2)cc1 74941238 PBHVVKGRIQONMR-CQSZACIVSA-N 336.388 2.206 10 40 EECB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(C)o1 16348028 ZJUKYPAAYFFLHR-DHDCSXOGSA-N 345.380 2.042 10 40 EECB O=C(O)CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 1737015 BGFDDSLQPRDLDE-YFHOEESVSA-N 338.366 2.271 10 40 EECB CCc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C 408999396 KTRLLZAIDWCEFD-UHFFFAOYSA-N 337.379 2.406 10 40 EECB Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(=O)[nH]1 75124230 MSYXCQFWFKKBHW-CQSZACIVSA-N 341.411 2.011 10 40 EECB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Cl)ccc1O 68561748 VGTOOJOXWVFLSS-LSDHHAIUSA-N 349.843 2.405 10 40 EECB O=C(O)CNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1 4216628 CQSRTOJJBONKMC-VHEBQXMUSA-N 343.295 2.320 10 40 EECB in-man Cc1ccc2nsnc2c1S(=O)(=O)Nc1ccc(C(=O)O)cc1 88190 MIJWJEXPAUTUEB-UHFFFAOYSA-N 349.393 2.499 10 40 EECB O=C(NC1(N2CCCC2)C(=O)c2ccccc2C1=O)c1ccccc1 226297420 FALUAVMCPKINSJ-UHFFFAOYSA-N 334.375 2.288 10 40 EECB CN(C)c1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 17333441 GVMPZSIDOIGWLQ-UHFFFAOYSA-N 335.385 2.139 10 40 EECB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccccc1O 566124 DBNPCRVCBZDOCV-PKNBQFBNSA-N 342.351 2.363 10 40 EECB O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)C(=O)NC2=O 69968619 DDJPNWASJOZSEV-UHFFFAOYSA-N 335.363 2.423 10 40 EECB COc1ccccc1C(=O)NCCC(=O)N(C)Cc1ccccc1O 36397946 OJQVETOLYPTYSN-UHFFFAOYSA-N 342.395 2.179 10 40 EECB O=C1NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccc([N+](=O)[O-])o1 8381379 MSMXNPAGYVUMFL-ZAUJTXRMSA-N 325.280 2.205 10 40 EECB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(N2CCCCC2)cc1 19575904 CFSGEJWEEFSCHL-PWIZWCRZSA-N 329.488 2.316 10 40 EECB Cc1ccc(O)c(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1 57119944 ZAWMBHWMMHODCW-UHFFFAOYSA-N 348.424 2.338 10 40 EECB C[C@@H](NC(=O)/C=C/c1ccc2c(c1)CCCN2C)c1nncn1C 69563990 LGYVJYJLOQTANJ-BUUCAEBMSA-N 325.416 2.088 10 40 EECB CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(C)C1=O 478871 OSWPNBLXQMHTSF-GXDHUFHOSA-N 340.404 2.495 10 40 EECB O=C1/C(=C/NN2CCCCC2)C(O)=NC(=S)N1c1ccc(F)cc1 9013773 MLZBLRXSGLRIAV-JLHYYAGUSA-N 348.403 2.288 10 40 EECB CN1CCN([C@@H](c2ccccc2)c2cc3c(cc2O)OCO3)CC1 20746139 YMPUCFJIGUUPLM-IBGZPJMESA-N 326.396 2.458 10 40 EECB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(F)c2)C1=O 409016132 CNEPQNGQTOGOII-GXDHUFHOSA-N 343.383 2.478 10 40 EECB CC[C@@H](C)N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)C(=O)NC1=S 342268 VTWPNKDTDFSRIH-ZDIKFAODSA-N 348.424 2.129 10 40 EECB C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc2c(c1)CCCN2C 58355667 DXZKBGZYFPFLEK-ZDUSSCGKSA-N 341.411 2.097 10 40 EECB CC1=CC(C)(C)N(C)c2ccc(C=C3C(=O)NC(=O)NC3=O)cc21 113813097 OIOZDBNGYGXGIO-UHFFFAOYSA-N 325.368 2.068 10 40 EECB Cc1cc(C)n2nc(C(=O)NCCCSc3nccs3)nc2n1 74135857 JTCPFGCLUMNVBB-UHFFFAOYSA-N 348.457 2.110 10 40 EECB CC[C@H](C)N1C(=O)/C(=C/NCCC2=CCCCC2)C(=O)NC1=S 101033564 JPRCGHBIDNJSLS-SEVUAYLXSA-N 335.473 2.392 10 40 EECB COc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 6924766 ATYWSRHLWWSXEN-PTNGSMBKSA-N 337.335 2.274 10 40 EECB CCNc1nc(NCC)nc(NNC(=S)Nc2ccc(C)cc2)n1 5609805 WSNGTOQTGIXOEH-UHFFFAOYSA-N 346.464 2.357 10 40 EECB COc1ccc(N2CCCN(C(=O)[C@H](C)n3cccn3)CC2)cc1 55878259 MVFCAANWZXSCPS-HNNXBMFYSA-N 328.416 2.192 10 40 EECB COCCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 103723742 JYFMFVIGIHKSOY-PTNGSMBKSA-N 332.360 2.217 10 40 EECB C[C@H]1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCO1 72274532 YFPDVBLJUCFINU-LSDHHAIUSA-N 333.432 2.015 10 40 EECB CN(C)c1ccc(/C=C2\SC(=O)N(CN3CCOCC3)C2=O)cc1 33304138 BGIGADXZYOGTEN-PTNGSMBKSA-N 347.440 2.079 10 40 EECB COC(=O)[C@@]1(NC(=O)c2cc(C)n(-c3ccccc3)c2C)CCOC1 88221888 HLICOCXZVPAMPG-LJQANCHMSA-N 342.395 2.156 10 40 EECB COc1ccc(N2CCN(c3ccc(C(=O)O)cc3N)CC2)cc1 225323018 NRAMWTKOMQRMCO-UHFFFAOYSA-N 327.384 2.302 10 40 EECB CN(Cc1ccccc1O)C(=O)CCN1C(=O)COc2ccccc21 42116646 ATABOZICLFYTKX-UHFFFAOYSA-N 340.379 2.166 10 40 EECB CCn1cc(C(=O)C(=O)NCc2ccc(N3CCCCC3)cc2)cn1 96485360 HNCOIPIOLMQJTM-UHFFFAOYSA-N 340.427 2.392 10 40 EECB COc1ccc(N2CCN[C@@H](C(=O)Nc3ccccc3OC)C2)cc1 257275145 NOBPCIRHYQZVLP-QGZVFWFLSA-N 341.411 2.121 10 40 EECB CN(C)c1ccc(/C=C2\C(=O)NCC(=O)N2Cc2ccccc2)cc1 1389713 PKYCLKROCJHITC-LDADJPATSA-N 335.407 2.252 10 40 EECB COc1ccc(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1 226103516 FZJNVISPPATCEG-UHFFFAOYSA-N 325.412 2.169 10 40 EECB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCCC1 1263167 HQMRGYIBEMGXCL-ZRDIBKRKSA-N 336.438 2.493 10 40 EECB O=C1NC(=S)NC(=O)C1=Cc1ccc(SCc2ccco2)o1 41077963 MIGRIPQYDKOGOG-UHFFFAOYSA-N 334.378 2.079 10 40 EECB CCCCNC(=O)c1cc(N)c2c(c1N)C(=O)c1ccccc1C2=O 5295335 VCZXXRSDLZIADZ-UHFFFAOYSA-N 337.379 2.156 10 40 EECB CCOC(=O)C1=C(C)[C@H]2C(C)=NN[C@@H]2N[C@@H]1c1ccc(N(C)C)cc1 16682302 SOHCPBDKOKCLST-JQHSSLGASA-N 342.443 2.198 10 40 EECB CCOC(=O)c1cnn2c(O)cc(CN(C)c3ccccc3)nc12 47274536 XGFJESWZBPVWCA-UHFFFAOYSA-N 326.356 2.248 10 40 EECB Cn1c(=O)c(C(=O)C[C@H](N)c2ccccc2O)c(O)c2ccccc21 5670044 VQFSVOQFPYIEPP-ZDUSSCGKSA-N 338.363 2.223 10 40 EECB C[C@H](NC(=O)c1ccc(O)nc1)c1ccc(N2CCN(C)CC2)cc1 55710812 BRSOGVVSRLQKNJ-AWEZNQCLSA-N 340.427 2.030 10 40 EECB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC#N 6174875 LEUHCPLHHYOKRS-NTCAYCPXSA-N 349.346 2.059 10 40 EECB Cc1nnc(S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)O)o1 7365766 RTJKFKCTMRTIML-GXDHUFHOSA-N 347.396 2.432 10 40 EECB CN(C)c1ccc(/C=c2\sc3nnc(-c4ccco4)n3c2=O)cc1 16957479 SBFKMLLYWBKTBA-UVTDQMKNSA-N 338.392 2.025 10 40 EECB CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3852450 QAVCPNFKRYCNFO-UHFFFAOYSA-N 344.327 2.499 10 40 EECB biogenic CN(Cc1ccccc1O)C(=O)CCn1c(=O)oc2ccccc21 53914866 DYUYYENZZLCMAP-UHFFFAOYSA-N 326.352 2.349 10 40 EECB O=C(c1cccnc1Cl)N1CCN(c2ccc3c(c2)OCO3)CC1 59415356 DJXMDTWBXCHLRO-UHFFFAOYSA-N 345.786 2.426 10 40 EECB O=C(C1CCCC1)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 69813597 JMBGGTKQORCCRF-UHFFFAOYSA-N 333.388 2.135 10 40 EECB CC1(C)[C@@]2(C(=O)Nc3ccc4c(c3)OCO4)CC[C@@]1(C)C(=O)C2=O 100621992 SXADCOGHYQGTKC-ROUUACIJSA-N 329.352 2.318 10 40 EECB CCc1ccc(/C=C2/SC(N3CCN(C(C)=O)CC3)=NC2=O)cc1 4942570 PIERCUHWCJBUEL-FOWTUZBSSA-N 343.452 2.383 10 40 EECB CCCn1nc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1=O 48232301 BSLHBEQWYUFKAK-UHFFFAOYSA-N 340.427 2.184 10 40 EECB COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409400947 WGYRKWLGJMNQDZ-UVTDQMKNSA-N 339.307 2.065 10 40 EECB COc1cc(/C=C2/SC(=S)NC2=O)ccc1O[C@H](C)C(=O)O 4545772 IHSVFQZGZMLTBE-PKTIUJEHSA-N 339.394 2.036 10 40 EECB CCOC(=O)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 92456212 MVAVJFVHZLFUQY-QGZVFWFLSA-N 332.444 2.298 10 40 EECB Cc1ccccc1-n1cccc1C=C1C(=O)N(C)C(=S)N(C)C1=O 408962491 SOHYBRWUPSLFNX-UHFFFAOYSA-N 339.420 2.384 10 40 EECB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1ccccc1O)C2 12142860 OAFABPPKBGKRDP-UHFFFAOYSA-N 334.379 2.096 10 40 EECB Cn1c(=O)c(/C=C2\C(=O)NN=C2c2ccccc2)c(O)c2ccccc21 16364007 RFKNPDTZGXKZRI-KAMYIIQDSA-N 345.358 2.162 10 40 EECB Cc1noc(C)c1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 30419040 AYBQRAKMVCYFJJ-UHFFFAOYSA-N 335.429 2.370 10 40 EECB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CN1CCOCC1 33286129 MLINQFCXYMQZBL-LCYFTJDESA-N 338.429 2.317 10 40 EECB COc1cccc(-n2c(C)cc(C(=O)NCCCC(N)=O)c2C)c1 57212981 PHJITQCYCQJIPU-UHFFFAOYSA-N 329.400 2.098 10 40 EECB CC12CN3CC(c4ccccc4)(CN(C1)C3c1ccccc1O)[C@H]2O 35585712 TVCINLRBECBVSU-SAOGTBAESA-N 336.435 2.341 10 40 EECB biogenic CC(=O)N1CC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 89937476 WMOYPTKLKMYPHX-KBXCAEBGSA-N 349.450 2.009 10 40 EECB O=C(c1ccco1)N1CCCN(c2ccc3c(c2)OCCO3)CC1 72347938 DGXVDUDFLYJFJD-UHFFFAOYSA-N 328.368 2.403 10 40 EECB O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 12377240 ZDLYLQPXOBEDQA-ZDUSSCGKSA-N 335.359 2.371 10 40 EECB Cc1cc(C)nc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 54124421 HISWBCXEBVGWPU-INIZCTEOSA-N 339.443 2.407 10 40 EECB CN(Cc1ccc(N(C)C)cc1)C(=O)c1n[nH]c(=O)c2ccccc12 12533637 RLVJLNAKRCGEMR-UHFFFAOYSA-N 336.395 2.261 10 40 EECB COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1 65541011 ZDXWAUJQXUAQSV-WDEREUQCSA-N 338.404 2.491 10 40 EECB Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 44873712 DOLHNBQKWCEXIV-HNNXBMFYSA-N 332.425 2.011 10 40 EECB CC(C)n1ncc2c(-c3ccc(O)c(O)c3)c3c(nc21)[nH]c(=O)n3C 85412528 JEWXJNKOOYSRAC-UHFFFAOYSA-N 339.355 2.270 10 40 EECB CCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)cc2)SC1=S 409004436 BDNAHOANASVSDH-WQLSENKSSA-N 337.422 2.460 10 40 EECB COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(Br)ccc1O 573237 MTYKIWAPBXFVBW-POHAHGRESA-N 338.157 2.115 10 40 EECB Cc1ccc(COc2ccccc2C=C2C(=O)NC(=O)NC2=O)cc1 408801288 USXSUXFCVQNHRA-UHFFFAOYSA-N 336.347 2.323 10 40 EECB NC1=Nc2nc3ccccc3n2[C@@H](c2cc(O)c(O)c(Cl)c2)N1 7128040 DZQFPRGMSDXFTN-ZDUSSCGKSA-N 329.747 2.197 10 40 EECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)c1 409393835 SQBJNQQUBLIIFB-XNTDXEJSSA-N 337.335 2.065 10 40 EECB COc1ccc(-n2nnnc2CNC(=O)c2ccc(C)c(C)c2)cc1 17052614 DKWLTEOVJHKNNW-UHFFFAOYSA-N 337.383 2.218 10 40 EECB CCOc1ccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc1 13714371 VDPNDGMZLJPSTP-QINSGFPZSA-N 331.441 2.303 10 40 EECB COCCCn1[nH]c2c3c(ccc2c1=O)C(=O)c1ccccc1C3=O 8686117 FMLSLAZWJRMBAY-UHFFFAOYSA-N 336.347 2.142 10 40 EECB COc1ccc(O)c([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)c1 373433 GEASHTWHQMUMIT-CQSZACIVSA-N 336.413 2.145 10 40 EECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccco2)C1=O 4949856 JWIBTGBLLRBMJA-BENRWUELSA-N 326.308 2.345 10 40 EECB CC1(C)CC(NC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)CC(C)(C)N1 100629222 XGIZGPPIDPEERR-WOJBJXKFSA-N 348.487 2.376 10 40 EECB CC[C@H](C)N1C(=O)/C(=C/N[C@@H](C)c2ccccc2)C(=O)NC1=S 97969277 KTLGVBLLQAZAKD-GUKYVBMTSA-N 331.441 2.263 10 40 EECB Cc1cc(C)n(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 96410498 ZTQLQNSTEDQZKF-QGZVFWFLSA-N 343.427 2.413 10 40 EECB C[C@H]1Oc2ccccc2N(CC(=O)N(C)Cc2ccccc2O)C1=O 42116769 LDIZUSYPAMUWHL-CYBMUJFWSA-N 340.379 2.165 10 40 EECB Nc1nc(Cl)cc(NCc2ccc(N3CCOCC3)c(F)c2)n1 44976927 ZONIPIIDRQIPRF-UHFFFAOYSA-N 337.786 2.300 10 40 EECB CCN(CC)c1ccc(CNC(=O)c2ccn(C)c(=O)c2)cc1F 66841268 MAPQHXZJJXCHIZ-UHFFFAOYSA-N 331.391 2.301 10 40 EECB COc1ccc(OC)c(/C=C2/SC(N3CCOCC3)=NC2=O)c1 88677 XATNLKUXKTUUDH-GXDHUFHOSA-N 334.397 2.006 10 40 EECB O=C1/C(=C\NN2CCCCC2)C(O)=NC(=S)N1c1ccccc1F 19998128 FRBSCEFIRZGSDK-KHPPLWFESA-N 348.403 2.288 10 40 EECB C[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 68844765 JLJQGLGYBCNDDA-NSHDSACASA-N 326.418 2.026 10 40 EECB CN(C)c1ccc(CNC(=O)CCNC(=O)OC(C)(C)C)cc1F 58279884 RXQPFGQGNSQCGL-UHFFFAOYSA-N 339.411 2.423 10 40 EECB O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)N1CCCC1 4602174 UKNLCQRPXSDEJC-UHFFFAOYSA-N 341.388 2.247 10 40 EECB COCCN1C(=O)/C(=C/c2ccoc2)C(=O)N(c2ccccc2)C1=O 409021033 XCGBNZLCNCPBLX-PTNGSMBKSA-N 340.335 2.305 10 40 EECB O=C1N=C(O)/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1 3155052 BZFMEMPURDZCCH-UHFFFAOYSA-N 330.083 2.491 10 40 EECB COc1ccc(N2CCN(C(=S)NCc3ccco3)CC2)cc1 414875 NYMSYNKAYHTJTC-UHFFFAOYSA-N 331.441 2.485 10 40 EECB O=C(O)CCC(=O)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 80316106 HEJNCGOKQQWAED-HNNXBMFYSA-N 339.351 2.330 10 40 EECB CCN1C(=O)NC(=O)/C(=C\c2ccc(N(CC)CC)cc2OC)C1=O 5947730 ZYKKYEWLIRPDHZ-GXDHUFHOSA-N 345.399 2.023 10 40 EECB Cc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(C)n1C1CCCC1 12468967 CGCKDIGHPRSKLW-ZROIWOOFSA-N 331.441 2.477 10 40 EECB COc1cccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1OC(C)C 4723777 PMJSXDIYSMXGSB-UHFFFAOYSA-N 348.424 2.081 10 40 EECB C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCc1ccc(N2CCCCC2)cc1 69848860 MXCSXCDUIARADW-CRAIPNDOSA-N 343.471 2.455 10 40 EECB O=C1c2ccccc2C(=O)C12[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]2[N+](=O)[O-] 5604712 UUDNOCFKFDHYSO-KGLIPLIRSA-N 338.275 2.403 10 40 EECB CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 42385202 REGBRBXTAPKIBZ-MRXNPFEDSA-N 329.444 2.017 10 40 EECB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Br)o1 2444606 UZQROFHRMBKSQF-VQHVLOKHSA-N 343.202 2.345 10 40 EECB Cc1cccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 408547092 UKTORYVSTMOSNL-ZROIWOOFSA-N 325.324 2.162 10 40 EECB C[C@@H]1O[C@@H](Nc2ccc(/N=N/c3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@H]1O 4587534 XGASUXNFWLJGAS-NHIPPOKKSA-N 343.383 2.341 10 40 EECB CCN(C[C@H]1CCOC1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 71889017 LEDNGTXXDHSHTN-KRZKXXONSA-N 344.455 2.421 10 40 EECB O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(F)cc1 41374225 CXUQZKMPUVOVPI-UHFFFAOYSA-N 336.388 2.463 10 40 EECB C[C@H]1CN(c2ccc(CNC(=O)c3nccn3C)cc2F)C[C@H](C)O1 96421339 FISGWXFTIWYPFB-STQMWFEESA-N 346.406 2.103 10 40 EECB CC(C)C(=O)NCCN(C)Cc1c(O)cccc1OC(F)(F)F 583651792 SOXKOACXJOLNIG-UHFFFAOYSA-N 334.338 2.495 10 40 EECB O=[N+]([O-])c1ccc2nc3nc(-c4ccccc4)nc(O)c3[n+]([O-])c2c1 17061497 CYZWKGXBLINWJL-UHFFFAOYSA-N 335.279 2.092 10 40 EECB C[C@@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2352880 URGYPHLVESNBRH-LOBLAWFCSA-N 333.394 2.237 10 40 EECB O=C1c2ccccc2C(=O)C12[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]2[N+](=O)[O-] 5604718 UUDNOCFKFDHYSO-UONOGXRCSA-N 338.275 2.403 10 40 EECB O=C1CSC(=S)N1c1ccc(N2C(=O)CSC2=S)cc1 1730234 KQYXFPQNEJFYCC-UHFFFAOYSA-N 340.476 2.416 10 40 EECB Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)no1 9596492 BBFVAKGBYSKNOH-UHFFFAOYSA-N 330.388 2.484 10 40 EECB CCOC(=O)C1=C(C)[C@@H]2C(C)=NN[C@@H]2N[C@H]1c1ccc(N(C)C)cc1 254489165 SOHCPBDKOKCLST-NJAFHUGGSA-N 342.443 2.198 10 40 EECB O=C(CC1CCCC1)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 12984358 XMMBPIXBODBSKR-UHFFFAOYSA-N 346.427 2.345 10 40 EECB O=C(NCc1cc[nH]n1)N(Cc1ccccc1O)C[C@H]1CCCO1 48301307 YYWOWEMUQONSCD-OAHLLOKOSA-N 330.388 2.006 10 40 EECB CCCCCCN/C=C1\C(=O)NC(=S)N(Cc2ccccc2)C1=O 2391898 QTYKCOAZVXDAQM-NTCAYCPXSA-N 345.468 2.484 10 40 EECB CN(Cc1ccnc(N2CCCC2)n1)c1ccc2c(c1)OCCO2 19586587 JBZDOCXQOBTMDB-UHFFFAOYSA-N 326.400 2.484 10 40 EECB Cc1nn(-c2ccc(Cl)cc2)c(O)c1/C=C1\C(=O)NC(=O)N=C1O 3026396 KSZYNZLBHCJUCZ-UHFFFAOYSA-N 346.730 2.129 10 40 EECB O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC1 110631107 NRZTZPKLSSFPDL-QWHCGFSZSA-N 340.370 2.410 10 40 EECB COc1cc(Br)c(N2CCN(C)CC2)c([N+](=O)[O-])c1 45886104 ICQIWMILSHBDHG-UHFFFAOYSA-N 330.182 2.118 10 40 EECB CNn1c2c(c3ccc(OC)c(OC)c3c1=O)C(=O)c1ccccc1-2 604404677 IXOPCXHFEYLCEG-UHFFFAOYSA-N 336.347 2.403 10 40 EECB biogenic CN(C)CCCN/C=C1/C(=O)N(CCC2=CCCCC2)C(=O)N=C1O 103109074 CFLAIKCCTMEXQV-FYWRMAATSA-N 348.447 2.221 10 40 EECB COc1ccc(F)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 113970078 RCROUNDBSXLTBP-UHFFFAOYSA-N 338.404 2.379 10 40 EECB O=c1cc(CN2CCC(n3cccn3)CC2)c2cc(O)c(O)cc2o1 97376411 VLDPUVHRWIKFKK-UHFFFAOYSA-N 341.367 2.238 10 40 EECB CCN1C(=O)N/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 409232809 RZCCOFZKHZNWAE-UKTHLTGXSA-N 345.399 2.217 10 40 EECB C[C@@H](NC(=O)NCCCSc1nccs1)c1cnn(C)c1 96468943 DNKLMUWMVVDJLU-SNVBAGLBSA-N 325.463 2.419 10 40 EECB CCC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@H]1c1ccc(N(C)C)cc1 19498385 WJARXORPHUSHDW-RTBURBONSA-N 326.444 2.496 10 40 EECB CCCCN1CCc2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)ccc21 2396377 KOOOSFKMYWLISV-UHFFFAOYSA-N 341.411 2.283 10 40 EECB O=C(NCc1ccc(N2CCCC2)cc1)c1n[nH]c(=O)c2ccccc12 95349999 VRMNEBKOCZYJAN-UHFFFAOYSA-N 348.406 2.453 10 40 EECB O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccncc1 5484590 JGKBUCYKLVKVFN-XFXZXTDPSA-N 342.405 2.023 10 40 EECB CN1C(=O)C(=Cc2cccn2-c2ccc(F)cc2)C(=O)N(C)C1=S 408964895 IJAGWDKDWJELDA-UHFFFAOYSA-N 343.383 2.215 10 40 EECB COc1ccc(N2CCC[C@]3(C2)CN(c2nncs2)CCO3)cc1 96226303 OAMWDTXHOOJWIZ-KRWDZBQOSA-N 346.456 2.423 10 40 EECB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(N)c3)CC2)cc1 256052326 MWEGNEGXTNDDRJ-UHFFFAOYSA-N 341.411 2.248 10 40 EECB Cn1c(SCC(=O)Nc2ccc(N)cc2)nnc1-c1cccnc1 4212818 JKCKEACGDKSZLB-UHFFFAOYSA-N 340.412 2.190 10 40 EECB Cc1ccc(NN/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 3014464 KZZUEPFQSWYNCF-PTNGSMBKSA-N 336.351 2.078 10 40 EECB CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1ccc(Br)cc1 12275856 RAGLNOYYHRUCBP-SOLLPLKKSA-N 340.206 2.363 10 40 EECB COCCN1C(=O)/C(=C\c2ccccc2OC)C(C(=O)OC)=C1C 2058455 GONQDAGZSJGXDS-KAMYIIQDSA-N 331.368 2.014 10 40 EECB Cn1cc(CCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 96410499 XUBIHEIEWBILAH-KRWDZBQOSA-N 343.427 2.266 10 40 EECB CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1ccc(Br)cc1 100525332 RAGLNOYYHRUCBP-ASLCJXLESA-N 340.206 2.363 10 40 EECB CCCN(Cc1ccccc1O)C(=O)c1ccc(=O)n(CCOC)c1 66096262 UFXVYQLSYBMDQM-UHFFFAOYSA-N 344.411 2.253 10 40 EECB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)cc1 408840720 FEQOHAUMPCVJSH-SXGWCWSVSA-N 338.367 2.233 10 40 EECB O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2ccccc2O)c1O 19867590 VRSOJGCGXSWZNM-INIZCTEOSA-N 340.335 2.140 10 40 EECB CS(=O)(=O)Nc1cc(Br)c(O)c(Br)c1 254936 UQPDDOZYKJUBEB-UHFFFAOYSA-N 345.012 2.289 10 40 EECB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCCO 100422739 ZUALAKFOCXRNMG-UVTDQMKNSA-N 330.413 2.265 10 40 EECB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(N)=O)c1C 3328965 VFPOHOLIAZTXCE-UHFFFAOYSA-N 336.775 2.398 10 40 EECB CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N(c2ccccc2)C1=O 408856786 LGJYYZDVFUBXSL-FMIVXFBMSA-N 341.279 2.196 10 40 EECB CC(=O)N(CCC(=O)NCc1ccccc1O)Cc1ccccc1 69453717 HLYAGHXBTJHWFO-UHFFFAOYSA-N 326.396 2.447 10 40 EECB CO[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 69662017 BMWQZFBGGJOAQX-MAUKXSAKSA-N 347.459 2.405 10 40 EECB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374600 PUGKHTARRSXMCQ-CBFJXKFUSA-N 342.467 2.422 10 40 EECB COc1cc2c(cc1C=C1C(=O)N(C)C(=S)N(C)C1=O)CCCC2 382335 MYYIPOBYXZANIN-UHFFFAOYSA-N 344.436 2.173 10 40 EECB CN(C)c1ccc(CNC(=O)NC[C@H]2COc3ccccc3O2)cc1 31729275 IXLYGQXUXONYKG-INIZCTEOSA-N 341.411 2.392 10 40 EECB COc1cc(N2CCCC2)c(OC)cc1/C=C1/N=C(S)NC1=O 368230 VSPILHCSSFVETN-YRNVUSSQSA-N 333.413 2.061 10 40 EECB aggregator CN(C)c1ccc(/C=C2\C(O)=NC(=S)N2C(=O)[C@@H]2CCCO2)cc1 33757429 XJIUNSQJLHZFRN-UELRPHRMSA-N 345.424 2.356 10 40 EECB O=CN1CCN(c2ccc(/C=C3/C(=O)Nc4ccccc43)cc2)CC1 3828518 ZNFJBJDODKHWED-QGOAFFKASA-N 333.391 2.458 10 40 EECB Nc1ccc(CNC(=O)COc2ccc(Cl)cc2C(=O)O)cc1 1748613 LPABCXCMCRLRMY-UHFFFAOYSA-N 334.759 2.316 10 40 EECB COCc1ccc2c(c1OC)C(=O)c1ccc(O)c(OC)c1C2=O 14811208 HEVJQUHAJKODII-UHFFFAOYSA-N 328.320 2.331 10 40 EECB biogenic Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(=O)[nH]1 75120408 IQSZMMYQVIIJSA-UHFFFAOYSA-N 343.452 2.167 10 40 EECB Cc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)c(C)n1-c1ccccn1 19567612 PPWHSKGSNNVHRE-ZYSHUDEJSA-N 340.471 2.128 10 40 EECB CCOC(=O)c1nnsc1N1CCN(c2ccc(OC)cc2)CC1 1417147 CPTNOHOATITOHZ-UHFFFAOYSA-N 348.428 2.050 10 40 EECB Cc1cc(C(=O)NCCCS(C)(=O)=O)c(C)n1-c1ccccc1 65587153 OLGDAMIMPDCRJL-UHFFFAOYSA-N 334.441 2.259 10 40 EECB Cc1nc(CN2CCC[C@@H](NCc3ccc4c(c3)CCO4)C2)no1 69948373 NYDGIZPSQTXBBH-MRXNPFEDSA-N 328.416 2.067 10 40 EECB COc1cccc(-n2nnc(C(=O)NCc3ccccc3O)c2C)c1 84057971 DQFGEKLSTKEPFL-UHFFFAOYSA-N 338.367 2.220 10 40 EECB CN1CCN(c2ccc(CNC(=O)Cc3ccccc3F)cc2)CC1 225450687 QMMCWNUDAKCFME-UHFFFAOYSA-N 341.430 2.436 10 40 EECB COc1ccccc1N1CCN(C(=O)COc2ccc(N)cc2)CC1 256052641 ODCUAZJBEGYIMZ-UHFFFAOYSA-N 341.411 2.005 10 40 EECB CCC(C)(C)OC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 23118530 SSJANYMOJCDXAK-KRWDZBQOSA-N 336.476 2.383 10 40 EECB CN(C)c1ccc(CNC(=O)NCCc2cn3ccccc3n2)cc1 31728686 ACLAVXDRLNRIKI-UHFFFAOYSA-N 337.427 2.442 10 40 EECB CN1C(=O)C(=Cc2cc(Br)cs2)C(=O)N(C)C1=S 408904926 QNQNZBJUTBRPDF-UHFFFAOYSA-N 345.243 2.109 10 40 EECB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OC 5339908 HJGCDOBXEYDNAM-OYOHPKOASA-N 343.339 2.163 10 40 EECB Cc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)c1 409001677 QGDVUTQGYSEGDQ-YBEGLDIGSA-N 337.379 2.494 10 40 EECB CC(C)(C)OC(=O)N1CCN(Cc2c(O)ccc3c2OCC3=O)CC1 203452737 QXOVXHJBAWQSOP-UHFFFAOYSA-N 348.399 2.020 10 40 EECB CCOc1cccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)c1O 12366582 PHKBHMVYUZDMOM-GDBMZVCRSA-N 332.400 2.435 10 40 EECB O=C(NCc1ccc(N2CCOCC2)cc1)c1cn2ccccc2n1 56198774 MHMJGNVSEWUBOV-UHFFFAOYSA-N 336.395 2.101 10 40 EECB CCOc1cc(/C=C2/SC(N3CCN(C)CC3)=NC2=O)ccc1O 19948532 GRIKLRHBHOZIEH-RVDMUPIBSA-N 347.440 2.009 10 40 EECB CC[C@H](C)CN/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 1813147 OUKYIBJWALMXPZ-AVMBBCFPSA-N 335.791 2.442 10 40 EECB O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc2c(c1)OCO2 100804847 POPUUFAHMSQJQZ-UHFFFAOYSA-N 331.324 2.472 10 40 EECB CC(C)(C)O[C@@H]1C[C@H](O)C[C@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@H]12 4568178 QQRYTCXQPCBFMP-RQSQLSILSA-N 334.368 2.048 10 40 EECB CCCn1nccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 32611545 RCQSDMWMCPKRBL-UHFFFAOYSA-N 328.416 2.264 10 40 EECB CC(C)N/C=C1/C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O 105304541 SECUKHWHMXOKSP-TWGQIWQCSA-N 341.795 2.109 10 40 EECB O=c1[nH]c(N2CCCCC2)nc2c1CCN(Cc1ccccc1O)C2 19349360 OXQYQKFWZFVIMW-UHFFFAOYSA-N 340.427 2.024 10 40 EECB Cn1cc(/C=C2\SC(N3CCOCC3)=NC2=O)c2ccccc21 13511787 VXJXFQHAQUSADA-GDNBJRDFSA-N 327.409 2.481 10 40 EECB Cc1cccc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)c1 5371142 JYDPKNJEOYQMES-FLIBITNWSA-N 343.451 2.084 10 40 EECB COC(=O)c1ccc(/C=C2/C(=N)N(CC(C)C)C(=O)N(C)C2=O)cc1 32735805 ZBQRSYQACIADDK-PYDVBCTCSA-N 343.383 2.384 10 40 EECB Cn1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 501862 WAIFMBMUCOLJHE-DHDCSXOGSA-N 349.346 2.433 10 40 EECB CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O 4531094 VHHVICYKHBTEIE-RDGWLKQMSA-N 349.343 2.083 10 40 EECB CNC(=O)c1ccc(CN(C)Cc2cc3c(cc2O)OCO3)cc1 8188481 OFOWJQLSXBGRIT-UHFFFAOYSA-N 328.368 2.113 10 40 EECB Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)cc1 8231770 CFFBZHQYIVQDHS-INIZCTEOSA-N 325.412 2.432 10 40 EECB CCCNC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 28296844 JWNYLDXUYFRJTL-JXMROGBWSA-N 326.468 2.476 10 40 EECB O=S(=O)(Nc1ccc(O)c(Sc2ncn[nH]2)c1)c1ccccc1 6368838 HVUYWBXHGIZTCK-UHFFFAOYSA-N 348.409 2.462 10 40 EECB O=C1/C(=C/c2cccnc2)SC(=S)N1C1=C[C@H]2OCO[C@@H]2C=C1 26771494 PXMBMNUNRHBUDY-PETVBWCUSA-N 344.417 2.478 10 40 EECB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(C)n(C2CC2)c1C 409138465 CCUOSUFZGXXQIB-ZSOIEALJSA-N 347.440 2.013 10 40 EECB O=C1/C(=C\[C@@H]2CC=CCC2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 206234485 VBZDNIQQRWGYJF-RJEBGXRKSA-N 343.495 2.274 10 40 EECB c1cc(/N=N/Nc2cccc(C3=NCCN3)c2)cc(C2=NCCN2)c1 4962072 OEXLWHCSKCYJCA-UHFFFAOYSA-N 333.399 2.497 10 40 EECB COc1ccc(N2CCN(C(=O)Cc3csc(C)n3)CC2)cc1 11866060 WJTDPBSACNQYMV-UHFFFAOYSA-N 331.441 2.351 10 40 EECB CCC[C@@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCC3)C(=O)O 5235521 QNNICIJEJNAHJC-CQSZACIVSA-N 331.368 2.330 10 40 EECB CCc1cccc2c(C=C3C(=O)N(C)C(=S)N(C)C3=O)c[nH]c12 5909031 FZHYKPGHBVYEIV-UHFFFAOYSA-N 327.409 2.329 10 40 EECB O=c1c(-c2ccc(F)cc2)coc2c(CNCCO)c(O)ccc12 57312232 SBEZMIYIEDKXFA-UHFFFAOYSA-N 329.327 2.387 10 40 EECB COc1ccc(N2CCN(C(=O)c3ccc(CO)cc3)CC2)cc1 6831204 ZTNSAMYOXWAJNS-UHFFFAOYSA-N 326.396 2.150 10 40 EECB COc1cc(OC)c([C@@H]2NCCc3cc(O)c(O)cc32)cc1OC 3719665 WDUBPLAZSFKTLW-GOSISDBHSA-N 331.368 2.359 10 40 EECB CC(C)NC(=O)N1CCC[C@H](C(=O)N(C)Cc2ccccc2O)C1 53916208 CPNPVLIUJYKPCC-HNNXBMFYSA-N 333.432 2.181 10 40 EECB Cc1cccc(C(=O)O)c1NS(=O)(=O)c1cccc2nsnc12 35064935 VAHQOPZMDMQDEL-UHFFFAOYSA-N 349.393 2.499 10 40 EECB CC(=O)NN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 4860698 TXLJNTGPMJQXJR-QPJJXVBHSA-N 347.215 2.294 10 40 EECB O=C(NCc1ccc(N2CCOCC2)cc1)NOCc1ccccc1 69457398 SNPKCDQHZUEYGW-UHFFFAOYSA-N 341.411 2.454 10 40 EECB Cc1cc(O)c(CN2CCC(C(=O)N3CCOCC3)CC2)cc1C 42912804 BQLIAUBMIPWKRN-UHFFFAOYSA-N 332.444 2.080 10 40 EECB CN(C)c1ccc2c(c1)CN(C(=O)c1cnccn1)[C@@H]2c1cnco1 96086991 MILVEGXRTFBVED-KRWDZBQOSA-N 335.367 2.276 10 40 EECB O=c1cc(CO)oc([C@H](Nc2ccccn2)c2ccccc2O)c1O 19867595 VRSOJGCGXSWZNM-MRXNPFEDSA-N 340.335 2.140 10 40 EECB Cn1ccnc1SCC(=O)NCc1ccc(N2CCCC2)cc1 53353708 LHNOFAHNTALSGY-UHFFFAOYSA-N 330.457 2.429 10 40 EECB C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1nnc2n1CCCC2 78880174 AWQOVQNXMRLPFT-OAHLLOKOSA-N 341.459 2.302 10 40 EECB O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)Nc1ccccc1F 95430684 OALXKGGDFIEMDR-SOFGYWHQSA-N 331.299 2.432 10 40 EECB NC1=Nc2nc3ccccc3n2[C@H](c2cc(O)c(O)c(Cl)c2)N1 7128033 DZQFPRGMSDXFTN-CYBMUJFWSA-N 329.747 2.197 10 40 EECB CCC12CN3CC(CC)(CN(C1)C3c1cccc(OC)c1O)C2=O 19323497 NODXYYBOFCJSPB-UHFFFAOYSA-N 330.428 2.406 10 40 EECB biogenic Oc1ccc([C@H](Nn2cnnc2)c2cc(Cl)ccc2O)c(O)c1 6321276 IKYDHHUYAHNMBD-HNNXBMFYSA-N 332.747 2.381 10 40 EECB COc1cc(/C=C2/SC(N)=NC2=O)cc(OC)c1OC(F)F 96766847 BJFFRAKXKVERPW-WEVVVXLNSA-N 330.312 2.234 10 40 EECB Cc1ccccc1CC(=O)NCc1ccc(N2CCNCC2)c(F)c1 95970943 VWFIVEIUXBQDDA-UHFFFAOYSA-N 341.430 2.403 10 40 EECB Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)[nH]n1 57377377 MDOQPAKQGHLIIY-BETUJISGSA-N 346.406 2.401 10 40 EECB CCCN1C(=O)/C(=C/N[C@H](C)CCc2ccccc2)C(=O)NC1=S 105490543 SVHQXYJBWWRQGC-MLJWKTOOSA-N 345.468 2.135 10 40 EECB Cc1ccccc1C(=O)NCCC(=O)NCc1ccc(N(C)C)cc1 7243721 XVANUHZFESNQNN-UHFFFAOYSA-N 339.439 2.497 10 40 EECB CN(Cc1ccccc1O)C(=O)NCCN(C)C(=O)OC(C)(C)C 72274331 VCSHTZHZKNQNBS-UHFFFAOYSA-N 337.420 2.401 10 40 EECB F[C@H]1C[C@@H](CNCc2ccc3c(c2)CCO3)N(Cc2cncnc2)C1 583623127 UHDXMSZZPWDYNQ-ROUUACIJSA-N 342.418 2.114 10 40 EECB O=C1CN(Cc2ccc(N3CCOCC3)cc2)CCN1C1CCCC1 19656999 IEIPKLVQPZEVFS-UHFFFAOYSA-N 343.471 2.110 10 40 EECB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(N)=O)cc1 101380475 UQJAHWYSODKAAU-GZTJUZNOSA-N 335.363 2.357 10 40 EECB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCn1cncn1 54812239 NTXRBXSRPKLNJR-UHFFFAOYSA-N 327.432 2.317 10 40 EECB CNS(=O)(=O)c1ccc(Sc2nccs2)c([N+](=O)[O-])c1 48894112 KRKGLLATKCYQKP-UHFFFAOYSA-N 331.400 2.111 10 40 EECB Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)on1 72273082 QIOCZIUGINKOCU-UHFFFAOYSA-N 329.400 2.122 10 40 EECB NS(=O)(=O)c1ccc2[nH]c(-c3ccc(N4CCCC4)cc3)nc2c1 48332299 GCRCIPAYOHBNMB-UHFFFAOYSA-N 342.424 2.478 10 40 EECB Cc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1C 408547110 YJHHWNXCCSNQGY-DHDCSXOGSA-N 339.351 2.471 10 40 EECB O=C1N=C(O)/C(=C\NN2CCCCC2)C(=O)N1c1ccc(F)cc1 33929985 YPCOAOMBILRSEA-JLHYYAGUSA-N 332.335 2.123 10 40 EECB COc1cc(/C=C2\SC(=S)NC2=O)c([N+](=O)[O-])cc1OC 14230745 PDHLPWGLBDIAAP-WMZJFQQLSA-N 326.355 2.101 10 40 EECB O=C1NC(=S)NC(=O)C1=CNc1ccc(Nc2ccccc2)cc1 6424054 WPHLSZPVQQPTRN-UHFFFAOYSA-N 338.392 2.257 10 40 EECB Cc1nc(CN2CCC[C@H](NCc3ccc4c(c3)CCO4)C2)no1 69948370 NYDGIZPSQTXBBH-INIZCTEOSA-N 328.416 2.067 10 40 EECB Cc1cc(/C=C2/C(=O)NC(=S)N=C2O)c(C)n1C[C@@H]1CCCO1 59109168 RUHBKQLAWSCLGK-LBPRGKRZSA-N 333.413 2.039 10 40 EECB CCn1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 408964355 GIWSMBNKNUXNOX-GXDHUFHOSA-N 327.315 2.314 10 40 EECB COc1ccc(N2CCN([C@H](CNC(C)=O)c3ccco3)CC2)cc1 56946223 OSUSEXWFBINCJP-GOSISDBHSA-N 343.427 2.288 10 40 EECB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NCc1ccc(N(C)C)cc1 10433367 XRSPBKCSPCYHOA-UHFFFAOYSA-N 346.456 2.056 10 40 EECB O=C(Nc1nncs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 47320418 IHWLUXNHIJOODW-LBPRGKRZSA-N 334.401 2.457 10 40 EECB COc1ccc(N2CCN(CC(=O)N3CCC(C)CC3)CC2)cc1 57579764 KZYMATYLUODFAA-UHFFFAOYSA-N 331.460 2.076 10 40 EECB CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccccc2O)CC1 4388637 LRXLNMZQHZJZBB-UHFFFAOYSA-N 347.503 2.308 10 40 EECB COc1c(Cl)cc(Cl)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O 59418791 JQIZDGIIJZVMOR-UHFFFAOYSA-N 343.166 2.436 10 40 EECB CCCN(Cc1ccccc1O)C(=O)COc1cccc(C(N)=O)c1 66096216 LEKWTKWJKLZSIJ-UHFFFAOYSA-N 342.395 2.309 10 40 EECB O=C(O)CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 1737017 DTJBOBKXKKSBDK-JXMROGBWSA-N 338.366 2.271 10 40 EECB CN(C)N1C(=O)[C@H](C(=O)Nc2cccc3ccccc23)SC1=S 5707084 MSJVQRJAOBVRGM-ZDUSSCGKSA-N 345.449 2.484 10 40 EECB CN(C)c1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 113939404 DWSLTNMJPFYOFJ-UHFFFAOYSA-N 335.385 2.139 10 40 EECB Cc1ccc(/C=C2/SC(=S)N(CN3CCOCC3)C2=O)cc1 19990339 BZVGZKSOYUJCLK-GXDHUFHOSA-N 334.466 2.486 10 40 EECB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NN1CCOCC1 112110971 IMHMSKHNXNGOEO-VKAVYKQESA-N 328.416 2.300 10 40 EECB Cn1cc(-c2csc(NS(=O)(=O)c3ccccc3F)n2)cn1 96433495 BILDNNKDZIIXNT-UHFFFAOYSA-N 338.389 2.484 10 40 EECB CN1C(=O)C(=CNc2cccc3ccccc23)C(=O)N(C)C1=S 6056781 SVBRANNGGFKUSF-UHFFFAOYSA-N 325.393 2.351 10 40 EECB Oc1ccccc1CN1C[C@H](O)C[C@H]1c1nc(-c2ccncc2)no1 15674452 QTNFQMHBSNZUNP-CABCVRRESA-N 338.367 2.145 10 40 EECB biogenic,in-vitro COc1ccc(N2N=C(C)/C(=C(\C)NCCc3c[nH]cn3)C2=O)cc1 100422688 FCHBUHQUCDLNMI-ATVHPVEESA-N 339.399 2.247 10 40 EECB CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCO3)cc1 39979699 BROQKAIBSROHFR-UHFFFAOYSA-N 332.425 2.166 10 40 EECB Cc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)n1C1CC1 7121488 RXZKRHUVQIFECE-UHFFFAOYSA-N 345.472 2.396 10 40 EECB Cc1nc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cs1 48353691 PLIOOISKLNXKGB-HNNXBMFYSA-N 344.484 2.443 10 40 EECB CN1C(=O)C(=Cc2csc(-c3ccccc3)n2)C(=O)N(C)C1=O 32751831 UDUZTWHWDZXGSE-UHFFFAOYSA-N 327.365 2.244 10 40 EECB COc1cccc(/C=C2/SC(=S)NC2=O)c1O[C@H](C)C(=O)O 4743072 VWVXQRUYGJIVDR-VSUWBIFXSA-N 339.394 2.036 10 40 EECB COC(=O)C[C@H]1C=C[C@H](OC)[C@@]2(C)C(=O)c3ccccc3C(=O)[C@@H]12 6442447 NLTGRGGKJQBQDX-VHKJUGFYSA-N 328.364 2.452 10 40 EECB COC(=O)c1ccccc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1=O)C2(C)C 100784641 UEQXUPOXKONLOJ-RTBURBONSA-N 343.379 2.376 10 40 EECB COc1ccc(N2CCCN(C(=O)c3cnc(C)cn3)CC2)cc1 55877579 MWPGBLIXIHCZBR-UHFFFAOYSA-N 326.400 2.146 10 40 EECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1cccc(F)c1 16488318 LNKBAPSZIKSZRQ-UVTDQMKNSA-N 325.299 2.405 10 40 EECB CCOC(=O)c1c(C)n(CC(=O)OC)c2ccc(O)c(CN(C)C)c12 4708408 KGARRLVCJFFBLD-UHFFFAOYSA-N 348.399 2.067 10 40 EECB Cn1c(-c2ccc(Br)cc2)cnc1SCC(N)=O 6973015 LHKABTDSJUAEPA-UHFFFAOYSA-N 326.219 2.427 10 40 EECB Cc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 7908464 PNFGHVXGKNJKKB-UHFFFAOYSA-N 349.412 2.448 10 40 EECB O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC1 110631103 NRZTZPKLSSFPDL-STQMWFEESA-N 340.370 2.410 10 40 EECB O=C1N=C(O)/C(=C/NCCN2CCCCC2)C(=O)N1C1CCCCC1 102712824 UQNZHMTXXVCVHC-SQFISAMPSA-N 348.447 2.197 10 40 EECB CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O 37246044 VHHVICYKHBTEIE-AYCBFJCHSA-N 349.343 2.083 10 40 EECB C[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1 72274530 YFPDVBLJUCFINU-GJZGRUSLSA-N 333.432 2.015 10 40 EECB CCCn1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 27971585 DSRFZUFPJTXBQB-UHFFFAOYSA-N 328.416 2.264 10 40 EECB CCN1C(=O)C(=Cc2cc(C)c(O)c(C)c2)C(=O)N(CC)C1=S 38200039 WARZZSKUGAPSFD-UHFFFAOYSA-N 332.425 2.388 10 40 EECB Cc1cccc(-n2cccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)c1 408962992 WWSRSHHDNMGNQR-UHFFFAOYSA-N 339.420 2.384 10 40 EECB COc1ccc(N2CCC(NC(=O)N3CCOC(C)(C)C3)CC2)cc1 69661625 NITIYDYVABRHNC-UHFFFAOYSA-N 347.459 2.484 10 40 EECB COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2F)c1 71803512 SICXUOOQNUNDSJ-SNVBAGLBSA-N 332.331 2.356 10 40 EECB CC(C)[C@@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCC3)C(=O)O 405965 IGYSUTYZXHVBIC-OAHLLOKOSA-N 331.368 2.186 10 40 EECB biogenic COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(OC)c1 4992959 GUSZLCGILJYWJL-NTEUORMPSA-N 344.367 2.108 10 40 EECB O=C(CCc1ccc(O)c(O)c1)CC[C@@H](O)Cc1ccc(O)c(O)c1 31169866 NOFGKTVEZONBCG-OAHLLOKOSA-N 346.379 2.395 10 40 EECB biogenic,in-vitro O=C(O)c1ccccc1NS(=O)(=O)c1cccc2nsnc12 34410 VUAJTZUMXHXMEC-UHFFFAOYSA-N 335.366 2.190 10 40 EECB Cc1cc(CNC(=O)c2[nH]ncc2Br)ccc1N(C)C 96410490 DHTCACKTXMHPPL-UHFFFAOYSA-N 337.221 2.477 10 40 EECB CN(C)c1ccc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 8171493 QZLYIQHOAJPZSR-UHFFFAOYSA-N 332.425 2.086 10 40 EECB CCN(C)c1ccc(CNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1F 95394896 IVDUYJGWWGMPGL-UHFFFAOYSA-N 335.339 2.152 10 40 EECB O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)c1cccnc1 13228297 GWTCCPYRIPWOGP-GHXNOFRVSA-N 342.405 2.023 10 40 EECB CC(=O)NN1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S 13731671 GYACUFQVKHCFGL-NTUHNPAUSA-N 332.406 2.258 10 40 EECB O=C(O)COc1ccc(/C=C2/SC(N3CCCC3)=NC2=O)cc1 13626873 XLNZQOGCZVWLHA-UKTHLTGXSA-N 332.381 2.216 10 40 EECB COc1ccc(N2CCC(NC(=O)c3cc(C)ncn3)CC2)cc1 84116894 CIJZRVHDIMTBSQ-UHFFFAOYSA-N 326.400 2.192 10 40 EECB CN(C)c1ccc(CNC(=O)C[C@H](NC(N)=O)c2cccs2)cc1 14527378 GKQLBEHQAKIIOW-AWEZNQCLSA-N 346.456 2.230 10 40 EECB O=C(NCCc1ccc(O)c(O)c1)c1ccc(Br)cn1 97022552 YZDAMMYVMSIEAG-UHFFFAOYSA-N 337.173 2.228 10 40 EECB CN(c1ccc(CNC(=O)[C@H]2CCC(=O)N2)cc1)C1CCCCC1 67299868 PPBBMXXLUVEZTI-QGZVFWFLSA-N 329.444 2.350 10 40 EECB C[C@H](NCc1ccc(O)c(CN2CCOCC2)c1)c1ccccn1 1616036270 SBJCYLGSFSPFMV-HNNXBMFYSA-N 327.428 2.470 10 40 EECB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1 7908242 LBYUBTKMAPWBGT-UHFFFAOYSA-N 347.440 2.190 10 40 EECB Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[nH]n1 57377382 MDOQPAKQGHLIIY-STQMWFEESA-N 346.406 2.401 10 40 EECB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 69772859 LAZJKXVWAMOONV-SFHVURJKSA-N 338.407 2.493 10 40 EECB O=C1CNc2ncnc(N3CC=C(c4c[nH]c5ncccc45)CC3)c2N1 41124006 OKKSYALFALDSGS-UHFFFAOYSA-N 347.382 2.011 10 40 EECB Cc1cc(C(=O)N(CC(N)=O)C2CCCC2)c(C)n1-c1ccccn1 65529360 KVRFOMUDMPOGKP-UHFFFAOYSA-N 340.427 2.359 10 40 EECB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2csnn2)cc1 69348687 HYHJKIQGCFFEAA-HNNXBMFYSA-N 346.456 2.426 10 40 EECB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)cc1O 359874 OTQOTHOPTHDCOX-NTUHNPAUSA-N 330.727 2.213 10 40 EECB O=C(NC[C@H]1CCCO1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 12377241 ZDLYLQPXOBEDQA-CYBMUJFWSA-N 335.359 2.371 10 40 EECB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CNC(N)=O)cc1 23744527 LYORGMCFUFQBIZ-UHFFFAOYSA-N 340.427 2.193 10 40 EECB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C\N(C)C 35303646 JQHGACRTQZUMGS-KTKRTIGZSA-N 344.396 2.008 10 40 EECB CCCN(CC(=O)NC)C(=O)/C=C/c1ccc2c(c1)CCCN2C 61412371 GTVFGQOMCVBIRQ-CSKARUKUSA-N 329.444 2.067 10 40 EECB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1O 12363841 DBNPCRVCBZDOCV-LUAWRHEFSA-N 342.351 2.363 10 40 EECB CN(C)c1ccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)cc1 521627 FEEYIYJPKNMJLX-FOWTUZBSSA-N 348.431 2.432 10 40 EECB Nc1nc2[nH]c(/N=N/c3ccc(Br)cc3)nc2c(=O)[nH]1 18178302 WOLARJZCVLUQAA-VHEBQXMUSA-N 334.137 2.406 10 40 EECB COc1ccc(/C=C2\SC(=S)N(CCCC(N)=O)C2=O)cc1 13603309 PQFZETZMDXGXDX-XFXZXTDPSA-N 336.438 2.162 10 40 EECB COc1ccc(-c2cc3ccc(O)c(CNCCO)c3oc2=O)cc1 32501414 MRIDAVQLCALCCN-UHFFFAOYSA-N 341.363 2.256 10 40 EECB biogenic Cc1ccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)o1 14171036 XENHUEXBGVJUGA-RAXLEYEMSA-N 338.454 2.121 10 40 EECB NC(=O)[C@H](NCc1cc(Br)ccc1O)c1ccccc1 69777999 OKUOLTRYDVAXBW-CQSZACIVSA-N 335.201 2.471 10 40 EECB COc1ccccc1N1CCN(C(=O)Cc2ccc(N)cc2)CC1 20185723 NSPOJBSFXQZEMK-UHFFFAOYSA-N 325.412 2.169 10 40 EECB CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)NC1=S 4723863 ICLURKDTEGVYQY-XYOKQWHBSA-N 330.340 2.342 10 40 EECB CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)cc2O)N3)C1 4905840 PTLNTCXVHDDESR-AWEZNQCLSA-N 331.397 2.001 10 40 EECB COC(=O)/C=C/c1ccc(N2CC(n3ccnc3)C2)c([N+](=O)[O-])c1 79102829 WBKKAFSYZZJEKH-HWKANZROSA-N 328.328 2.039 10 40 EECB Cc1nccn1CCCN(C)Cc1cc(=O)oc2cc(O)c(O)cc12 97135214 VUBWARKOHLZAJV-UHFFFAOYSA-N 343.383 2.231 10 40 EECB CC(C)(C)OC(=O)N1CCN(C2CN(c3ccc(N)cc3)C2)CC1 2362803821 PSBOZCLRCHJJRR-UHFFFAOYSA-N 332.448 2.010 10 40 EECB C[C@@H]1O[C@H](Nc2ccc(/N=N/c3ccccc3)cc2)[C@H](O)[C@@H](O)[C@H]1O 245232539 XGASUXNFWLJGAS-DQHWZGSNSA-N 343.383 2.341 10 40 EECB O=c1[nH]c(-c2ccccn2)nc2c1CN(Cc1ccccc1O)CC2 19349321 QVEPLGQUKYSWDJ-UHFFFAOYSA-N 334.379 2.096 10 40 EECB O=C1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)N1 108538149 OABSOMWORYWDBO-WDZFZDKYSA-N 332.699 2.479 10 40 EECB Cn1c(=O)c(C2=NNC(=O)/C2=C\c2ccccc2)c(O)c2ccccc21 100260981 BBKZAFJRJSJCHZ-KAMYIIQDSA-N 345.358 2.162 10 40 EECB CO[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 69662014 BMWQZFBGGJOAQX-QAPCUYQASA-N 347.459 2.405 10 40 EECB O=C(O)CN1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])o2)SC1=S 13554390 JEUNPFQODSMQJV-PKTZTGOHSA-N 340.338 2.030 10 40 EECB CCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4979234 YOASYYWJBWJZLK-UHFFFAOYSA-N 337.331 2.354 10 40 EECB Oc1ccccc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19361761 ZNKNJBJHJRDTLH-UHFFFAOYSA-N 326.396 2.439 10 40 EECB CCOc1cccc(/C=C2\C(=O)N(CC)C(C)=C2C(=O)OC)c1O 573216 HDFYDNBZXAIUJJ-RAXLEYEMSA-N 331.368 2.483 10 40 EECB C[C@H]1O[C@@H](Nc2ccc(/N=N/c3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@H]1O 4587533 XGASUXNFWLJGAS-XNZLVCPASA-N 343.383 2.341 10 40 EECB CNc1snc(C)c1C(=O)NCc1ccc(N2CCOCC2)cc1 65420212 VSOZCQRDKAOURR-UHFFFAOYSA-N 346.456 2.260 10 40 EECB O=C(NN1C(=O)/C(=C/c2ccncc2)SC1=S)c1ccncc1 5333212 GDOPAHPDPHDZRS-XFXZXTDPSA-N 342.405 2.023 10 40 EECB Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3C)C(=O)NC2=S)c1 409016425 CLTCQRZYISTFBW-XNTDXEJSSA-N 339.420 2.473 10 40 EECB COc1cccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)c1O 5200416 AYMSYETULLGRKD-GDNBJRDFSA-N 338.363 2.479 10 40 EECB COc1ccc(N(CC(=O)N2CCNC2=O)Cc2ccccc2)cc1 22983807 NWRZCLPPVDPAKH-UHFFFAOYSA-N 339.395 2.254 10 40 EECB O=C1N=C(O)/C(=C/NN2CCCCC2)C(=O)N1CCc1ccccc1 20189878 XVVBXVNRKTXDSY-SQFISAMPSA-N 342.399 2.022 10 40 EECB CN(C)c1ccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 58018095 VNEKOXHLTMJYCA-UHFFFAOYSA-N 349.412 2.280 10 40 EECB COc1ccc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1 58160691 ZVGOQFWTSMSXFZ-OAHLLOKOSA-N 331.460 2.265 10 40 EECB C[C@H](C(=O)NCc1ccc(N2CCNC(=O)C2)cc1)c1cccs1 72291293 QAMXKTFZEGSBNO-ZDUSSCGKSA-N 343.452 2.104 10 40 EECB Cc1cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 29959271 UVBFWTNFAIKVAE-INIZCTEOSA-N 346.452 2.353 10 40 EECB CN(C)c1ccc(CNC(=O)N[C@@H]2CCCc3c2cnn3C)cc1 31730964 JNCFIRLMEUXNON-MRXNPFEDSA-N 327.432 2.363 10 40 EECB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(O)c([N+](=O)[O-])c1 35103171 ZYBDNFIIRFQLEQ-UHFFFAOYSA-N 333.296 2.444 10 40 EECB CC(C)(C)N1C(=O)NC(=O)/C(=C/Nc2ccc3c(c2)CCC3)C1=O 13127435 OFSXNKZHCUGWAS-UVTDQMKNSA-N 327.384 2.348 10 40 EECB COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3COCCO3)c2C)cc1 84080257 WRWPKZXCCVKUHF-KRWDZBQOSA-N 344.411 2.248 10 40 EECB CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2nncn2C)cc1F 66926857 QPXPRPGHLNGZRJ-LBPRGKRZSA-N 348.426 2.361 10 40 EECB Cc1nn(C)c(C)c1CC(=O)NCc1ccc2c(c1)CCCN2C 58289243 RNHAWSWOJJRZCH-UHFFFAOYSA-N 326.444 2.278 10 40 EECB COc1ccc(N(CCC(N)=O)CC(=O)NCC2CCCCC2)cc1 9157226 HNZBWRRNTMFAAK-UHFFFAOYSA-N 347.459 2.074 10 40 EECB COc1cccc(-n2c(C)cc(C(=O)N3CCNC(=O)CC3)c2C)c1 71839542 XAVLBOMYAFNOFV-UHFFFAOYSA-N 341.411 2.065 10 40 EECB O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnc[nH]1 96431777 MWFORNYTHNKDOV-NSHDSACASA-N 336.342 2.410 10 40 EECB C[C@@H]1O[C@@H](Nc2ccc(/N=N/c3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 17750533 XGASUXNFWLJGAS-BAKNVWOBSA-N 343.383 2.341 10 40 EECB Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 3445543 IRUOHCPKBCKQMS-UHFFFAOYSA-N 325.412 2.432 10 40 EECB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\N1CCCCC1 98086688 ORFQRCNUJYZACM-RAXLEYEMSA-N 349.843 2.458 10 40 EECB COc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)N(C)C1=O 409238704 KVSLRXVXUDMIPL-NTEUORMPSA-N 334.397 2.198 10 40 EECB O=C(O[C@H]1CCOC1=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 4563054 PPJCTGYMHDZVNS-HNNXBMFYSA-N 338.315 2.225 10 40 EECB Cc1cc(O)ccc1N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 2028283 NIKKUWIIAIWTQZ-UVTDQMKNSA-N 337.335 2.279 10 40 EECB CS(=O)(=O)C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 154975916 KYXDBKYUSTUHFP-KRWDZBQOSA-N 331.437 2.497 10 40 EECB Oc1ccc(CC[C@@H](O)C[C@H](O)CCc2ccc(O)c(O)c2)cc1 13341036 XLTITIJKWVRJMS-IAGOWNOFSA-N 332.396 2.481 10 40 EECB biogenic,in-vitro CC(=O)N1CCN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)CC1 531825 DLUJKYDHPYAGAC-UVTDQMKNSA-N 349.843 2.474 10 40 EECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccoc2)C1=O 409228881 GOGGBODUSJZCAA-FMIVXFBMSA-N 326.308 2.345 10 40 EECB CC1(C)[C@@]2(C(=O)Nc3ccc4c(c3)OCCO4)CC[C@@]1(C)C(=O)C2=O 100629231 TVHUCPYFHSMSDL-OALUTQOASA-N 343.379 2.361 10 40 EECB Nc1ccc(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 575422876 XKEFOBKRFURYQA-GOSISDBHSA-N 330.453 2.458 10 40 EECB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC[C@H]1CCCO1 103916457 PAJWWKYBUYPEMW-DFSFMLJYSA-N 344.371 2.360 10 40 EECB Cc1c(CC(=O)NCc2ccccc2)c(=O)oc2c(O)c(O)ccc12 6623920 VRTBHUHGIPABPH-UHFFFAOYSA-N 339.347 2.372 10 40 EECB biogenic CCS(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 71924513 WUDIQGCHMUXBBK-UHFFFAOYSA-N 334.388 2.196 10 40 EECB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 13039594 LRSSRLBEFAEMOY-SFQUDFHCSA-N 349.390 2.415 10 40 EECB O=C1CN(c2ccc(CNC(=O)c3ccc(Cl)s3)cc2)CCN1 40515614 LUELMAZNKASWJS-UHFFFAOYSA-N 349.843 2.268 10 40 EECB CN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)C1CCCCC1 9368260 PMQRRSLNGYUQPS-UHFFFAOYSA-N 331.460 2.408 10 40 EECB O=C(O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O 4704737 SEWXAAVIFNADES-LCYFTJDESA-N 332.381 2.408 10 40 EECB CN(C)c1ccc2c(c1)CN(C(=O)c1ccnnc1)[C@H]2c1cnco1 96260744 IHYOALHQFYLSND-QGZVFWFLSA-N 335.367 2.276 10 40 EECB CC[C@@H](C)N1C(=O)/C(=C\Nc2cccc(C(=O)O)c2)C(=O)N=C1S 103116393 WLIXYTUYCDWULI-ZPBHHCQCSA-N 347.396 2.134 10 40 EECB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(N(C)C)cc1 22304967 RYHAXQOICXHKTL-OAHLLOKOSA-N 333.457 2.451 10 40 EECB Cc1ccc(C)n1-c1ccc(C(=O)NCCN2CCOCC2)cc1 36226596 HULHBBCXOWBEFM-UHFFFAOYSA-N 327.428 2.156 10 40 EECB Cc1csc(NC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)n1 9530493 QJLSGNYIILZGNM-UHFFFAOYSA-N 346.364 2.459 10 40 EECB COc1ccc2nc(NC=C3C(=O)OC(C)(C)OC3=O)sc2c1 13999631 RTXSNEZTYONXIY-UHFFFAOYSA-N 334.353 2.437 10 40 EECB CCOC(=O)c1cnc2c(/N=N/c3ccccc3)c(=O)[nH]n2c1N 103645823 KSHLUETWEMGJNT-VHEBQXMUSA-N 326.316 2.197 10 40 EECB COc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1[N+](=O)[O-] 58866230 QNRGKDQXYMCUDP-UHFFFAOYSA-N 333.296 2.357 10 40 EECB CC(=O)c1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1 7908313 MGMGSOOZRGEKHB-UHFFFAOYSA-N 332.425 2.434 10 40 EECB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(N2CCOCC2)cc1 89948928 NDTTYKHHJFSVSY-AZUAARDMSA-N 345.487 2.260 10 40 EECB CCC1=NN2C(=N)/C(=C/c3ccc(O)c(OC)c3)C(=O)N=C2S1 372785 QEDAWGUTQLSLBM-MEHXIVOCSA-N 330.369 2.430 10 40 EECB CCCCN(CC(N)=O)C(=O)c1cc(C)n(-c2ccccn2)c1C 71819322 IGBBZIFYKRQHHC-UHFFFAOYSA-N 328.416 2.217 10 40 EECB COCCn1cc(NC(=O)NCCCSc2nccs2)cn1 75613006 LXVNYVGHMUZTRK-UHFFFAOYSA-N 341.462 2.290 10 40 EECB O=[N+]([O-])c1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCS3)cc1 15953394 XBWZJNDSSGQLNC-QGZVFWFLSA-N 342.400 2.375 10 40 EECB O=C(O)c1cccc(NS(=O)(=O)c2cccc3nsnc23)c1 84728 RAXRAURQKQCJIS-UHFFFAOYSA-N 335.366 2.190 10 40 EECB CS(=O)(=O)N[C@@H]1CCCN(Cc2c(O)ccc3ccccc23)C1 54468687 UXNUQIMRPHCZQC-CQSZACIVSA-N 334.441 2.059 10 40 EECB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(OC)c1O 408767121 DQZBEUOASVPXHO-UHFFFAOYSA-N 334.324 2.163 10 40 EECB C[C@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 71796089 VVJCHPWLNLPPQZ-YJBOKZPZSA-N 347.459 2.405 10 40 EECB CN1CCN(C2=NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)CC1 13945528 HHAUJGPVVLEYBT-XNTDXEJSSA-N 326.425 2.386 10 40 EECB C[C@@H](NCc1ccc(O)c(CN2CCOCC2)c1)c1ccccn1 1616036271 SBJCYLGSFSPFMV-OAHLLOKOSA-N 327.428 2.470 10 40 EECB COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1O 1237703 QDLPDGYOWIZQAQ-YRNVUSSQSA-N 339.394 2.077 10 40 EECB Cn1cc(/C=C/c2nc3ccccc3c(=O)n2CCCC(=O)O)cn1 46102201 SAJOCMXIWJXSAR-CMDGGOBGSA-N 338.367 2.165 10 40 EECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(O)c1 408880760 IROUKDPRAUJJDC-NTEUORMPSA-N 338.319 2.067 10 40 EECB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(O)cc1 2277275 QSEQMXXBAUHIOR-OQLLNIDSSA-N 340.310 2.193 10 40 EECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(O)cc3)C2=O)c1 4797332 MHEJBUJUEUXROC-GDNBJRDFSA-N 337.335 2.279 10 40 EECB COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cn1 16237020 DATXCLUWKJWBEY-UHFFFAOYSA-N 341.411 2.199 10 40 EECB Cc1[nH]c(=O)[nH]c(=O)c1CN(C)Cc1cc(Cl)cc(Cl)c1O 1686480 PKDUMHGJDDHOCT-UHFFFAOYSA-N 344.198 2.016 10 40 EECB COC(=O)C[C@H]1C=C[C@@H](OC)[C@]2(C)C(=O)c3ccccc3C(=O)[C@@H]12 17175252 NLTGRGGKJQBQDX-AUYPQDBHSA-N 328.364 2.452 10 40 EECB Cc1cccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c1 408799330 KLVCTVWNYOPYNI-UHFFFAOYSA-N 336.347 2.323 10 40 EECB CCOCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 81203317 UMCLQAYIEWQQLH-GFCCVEGCSA-N 328.359 2.410 10 40 EECB O=C1NC(=S)NC(=O)C1=CNc1ccc(Cl)cc1C(F)(F)F 40476891 VOZIVNDTUHVCDW-UHFFFAOYSA-N 349.721 2.186 10 40 EECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/N1CCc2ccccc21 101658699 XDNAAFYRDBLAER-DTQAZKPQSA-N 347.374 2.212 10 40 EECB COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@](C)(O)C3 6032159 XZLGWJORNHETKI-FQEVSTJZSA-N 336.343 2.351 10 40 EECB biogenic,in-vitro CCS(=O)(=O)NCCSc1ncc(-c2ccccc2)n1C 68044470 UBCQADWMRWLXME-UHFFFAOYSA-N 325.459 2.119 10 40 EECB Cc1n[nH]c(C)c1CNCc1ccc(N2CCC(O)CC2)c(F)c1 97160013 WEIUQMHUYMETJQ-UHFFFAOYSA-N 332.423 2.417 10 40 EECB O=C1N=C(NCCO)S/C1=C\c1ccc(Br)cc1 256055390 FFQCALLEEPUBKZ-YFHOEESVSA-N 327.203 2.001 10 40 EECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccnc3)C2=O)c(C)c1 408529109 IHOVDDDQVONCDA-GXDHUFHOSA-N 336.351 2.277 10 40 EECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 409389525 BVCNNAVFQTZJIN-YRNVUSSQSA-N 343.726 2.107 10 40 EECB O=C(Cn1c(=O)[nH]c2ccccc21)NCCCSc1nccs1 79310616 KNHKMYAJMKRXSO-UHFFFAOYSA-N 348.453 2.085 10 40 EECB COc1ccc(N2CCN(C[C@H](O)CO[C@H]3CCC[C@@H]3C)CC2)cc1 12414232 HXEMNXHJEFXNHD-QRFRQXIXSA-N 348.487 2.383 10 40 EECB CC(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10435031 XNCXWRPAPMIBNC-UHFFFAOYSA-N 329.377 2.149 10 40 EECB COC(=O)c1ccccc1OC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C 6759936 PEPMQQRIPNNVCH-MOPGFXCFSA-N 344.363 2.343 10 40 EECB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O 484858 NDHNSVODXUTNDC-LCYFTJDESA-N 338.319 2.067 10 40 EECB COC(=O)c1ccccc1OC(=O)[C@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 101424945 PEPMQQRIPNNVCH-OALUTQOASA-N 344.363 2.343 10 40 EECB CCCC12CN3CC(C)(CN(C1)C3c1cccc(OC)c1O)C2=O 19323628 VPVNIHKQDUXWFT-UHFFFAOYSA-N 330.428 2.406 10 40 EECB biogenic O=C1NC(=O)/C(=C/c2ccc(/C=C3/SC(=S)NC3=O)o2)S1 2689103 UVEFZDZGBXOHRQ-KYPMKJFLSA-N 338.391 2.092 10 40 EECB CN(Cc1ccc(C(N)=O)cc1)Cc1ccc(N2CCOCC2)cc1 11193317 IKJJOCVBDNOXIX-UHFFFAOYSA-N 339.439 2.254 10 40 EECB COC(=O)CCN1C(=O)/C(=C\c2ccccc2OC)SC1=S 4425608 INTNBKJLBPMBOU-FMIVXFBMSA-N 337.422 2.460 10 40 EECB COc1ccc(N2CCC(NC(=O)[C@H](C)n3ccnc3)CC2)cc1 69491075 XENDGCBVEILHER-AWEZNQCLSA-N 328.416 2.238 10 40 EECB Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O 33788869 LGHSBEVHYSOSNG-UHFFFAOYSA-N 345.374 2.168 10 40 EECB COc1ccc(N(CCC(N)=O)CC(=O)N[C@@H]2CCCC[C@H]2C)cc1 34892101 RCTHYBGBSFTNBB-RHSMWYFYSA-N 347.459 2.072 10 40 EECB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(N(C)C)cc1 22304969 RYHAXQOICXHKTL-HNNXBMFYSA-N 333.457 2.451 10 40 EECB CC(=O)NN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=S 13549557 QWQIJHLDASHREP-BENRWUELSA-N 337.451 2.309 10 40 EECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 4471548 JXRREARYIBAULF-JYRVWZFOSA-N 336.303 2.082 10 40 EECB COC(=O)N1CCC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 72084199 WEFGLTAEBXPITI-OAHLLOKOSA-N 348.447 2.125 10 40 EECB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)c1 4823871 SZRYJQCKVOJONX-WQLSENKSSA-N 341.279 2.163 10 40 EECB CN1C(=O)C(=Cc2cccn2-c2ccccc2)C(=O)N(C)C1=S 564272 HQOXSOYHKFWHQF-UHFFFAOYSA-N 325.393 2.076 10 40 EECB COc1ccc(N2CCCN(C(=O)c3ccc(C)[nH]c3=O)CC2)cc1 75120723 HZIREYSYKNWRIF-UHFFFAOYSA-N 341.411 2.044 10 40 EECB CNc1cc(N2CCC[C@H]2CNCc2ccc3c(c2)CCO3)ncn1 109070237 IUYWWAZFEXXZIH-INIZCTEOSA-N 339.443 2.212 10 40 EECB COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1 65541014 ZDXWAUJQXUAQSV-GHMZBOCLSA-N 338.404 2.491 10 40 EECB COc1ccc(N2CCCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 53774239 AGYVZUIDRCDJOH-IBGZPJMESA-N 339.439 2.434 10 40 EECB COCCN1C(=O)c2ccccc2N[C@H]1c1cc(O)c(O)c(OC)c1 25309740 FAMVXXJXNFEDOC-QGZVFWFLSA-N 344.367 2.319 10 40 EECB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S 5345255 RUZVIOGOYHJKDT-JMUHATKESA-N 339.394 2.162 10 40 EECB O=C(c1ccoc1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 57087258 BZHZIJBJAZTOST-UHFFFAOYSA-N 326.396 2.432 10 40 EECB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/NNc1ccccc1 5093192 DXHLXQUNAYBKTC-NTCAYCPXSA-N 342.399 2.288 10 40 EECB O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnccn1 81203351 NNUUYYKNWYVWQW-GFCCVEGCSA-N 348.353 2.477 10 40 EECB CN(C)c1ccc(CNC(=O)c2ccccc2S(C)(=O)=O)cc1 23694882 LNIBWYRAAMXKJD-UHFFFAOYSA-N 332.425 2.086 10 40 EECB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 4992985 CWLSNVLKTFVOCH-YRNVUSSQSA-N 334.759 2.450 10 40 EECB CCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=S)NC1=O 409050027 ZNMOXBKGLGXIKK-UHFFFAOYSA-N 345.207 2.306 10 40 EECB COc1ccc(N2CCOC[C@]3(CCCN(C(=O)N(C)C)C3)C2)cc1 96229015 MUOGAGPPTCYTCO-LJQANCHMSA-N 347.459 2.296 10 40 EECB Cn1c(=O)c(N)c2c3c(c(NCCCO)ccc31)C(=O)c1ccccc1-2 85408937 KRFFCSMOPHRRCB-UHFFFAOYSA-N 349.390 2.126 10 40 EECB Cc1cc(-c2csc(N)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 7762989 FGZQGICEZGFDOU-UHFFFAOYSA-N 348.453 2.447 10 40 EECB Cc1ccc(C)n1-c1ccc(CC(=O)NCC(=O)NC2CC2)cc1 57137865 BIJGPSGCIRSNMH-UHFFFAOYSA-N 325.412 2.031 10 40 EECB O=C1CN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CCN1 9117906 LTLKIRWKIRJLGT-JXMROGBWSA-N 327.428 2.039 10 40 EECB Cc1ccc(C(=O)NCc2ccc(N3CCNC(=O)C3)c(F)c2)cc1 69771612 STDBHLVSHMCVJX-UHFFFAOYSA-N 341.386 2.000 10 40 EECB O=C(O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 84759 OOTMIMPOFYFCME-UHFFFAOYSA-N 335.366 2.190 10 40 EECB COc1ccc(O)c(CNC(=O)c2cncc(Br)c2)c1 78726217 RFZHFLXOFBSEIH-UHFFFAOYSA-N 337.173 2.488 10 40 EECB O=C1NC(=S)NC(=O)C1=Cc1ccccc1Cc1cccc(F)c1 408873579 SHXOJORQJLSRKN-UHFFFAOYSA-N 340.379 2.331 10 40 EECB CCN(CC)c1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc1 5311823 FUKWLEACPHNKBA-OAHLLOKOSA-N 333.457 2.499 10 40 EECB COc1cc(Br)cc(CN2CC[C@@H](N)C[C@H]2C)c1O 97095756 UBPAARONCGZSRS-BXKDBHETSA-N 329.238 2.475 10 40 EECB Cn1cc([C@H](NC(=O)c2cccc(O)c2O)c2ccc(F)cc2)cn1 193168265 XGWKFRHBUFDRKY-MRXNPFEDSA-N 341.342 2.490 10 40 EECB CN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccc(F)cc1 18150761 RYXIBKAJPHOWOW-UHFFFAOYSA-N 343.402 2.280 10 40 EECB Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 8777856 WLTQHHYIEYOBES-KRWDZBQOSA-N 346.452 2.353 10 40 EECB CN(C)c1ccc(CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1F 60589066 UUPOWRYMUJVXNM-MSOLQXFVSA-N 343.402 2.349 10 40 EECB O=C1c2ccccc2C(=O)c2c1c([N+](=O)[O-])c1c(c2[N+](=O)[O-])OCO1 5759662 OJRPBPVCOSENLD-UHFFFAOYSA-N 342.219 2.007 10 40 EECB CCCc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)[nH]n1 44023313 BNHDEDGIZFAVNK-UHFFFAOYSA-N 328.416 2.333 10 40 EECB COc1ccc(N2CCN([C@H](C)c3nnnn3C(C)(C)C)CC2)cc1 57613962 SLJSKWGRYVAZBT-CQSZACIVSA-N 344.463 2.320 10 40 EECB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1cccc(O)c1 5552822 PMADWPIZCGQIBB-WQLSENKSSA-N 345.405 2.267 10 40 EECB COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 409400940 VYNTZWQYICFVEB-LCYFTJDESA-N 339.307 2.065 10 40 EECB Cc1cnc(NC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)s1 9305013 MBOCHLCBHWZNDZ-UHFFFAOYSA-N 346.364 2.459 10 40 EECB CCN(Cc1ccccc1)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 3240253 CWXHJTFMUGCQNO-UHFFFAOYSA-N 349.390 2.463 10 40 EECB Nc1ccc(Oc2ccc3c(c2)C(=O)N(CCC(=O)O)C3=O)cc1 6397901 JTEULSJEAVJHIX-UHFFFAOYSA-N 326.308 2.132 10 40 EECB O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]12NN=C(c1ccccc1)S2 5044488 RVQZNGFCELVOAW-HNNXBMFYSA-N 326.337 2.398 10 40 EECB OC1CCN(c2ccc(CNc3ncnc4[nH]cnc34)cc2F)CC1 52457738 IZTSOGIWVDHHBD-UHFFFAOYSA-N 342.378 2.065 10 40 EECB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccsc3)cc2)C1 55916766 VIOHCUVUMPXJIT-AWEZNQCLSA-N 343.452 2.380 10 40 EECB CCOC(=O)CN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 1792607 AKCRTDYTWSCCBL-WQLSENKSSA-N 337.422 2.460 10 40 EECB Cc1ccnc(NC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)c1 8993053 MGEZDNVXTGCZDA-UHFFFAOYSA-N 340.335 2.397 10 40 EECB O=C(C[C@@H]1SC(=S)NC1=O)Nc1c(F)c(F)cc(F)c1F 34926885 WCQUGVJHMGCSEY-YFKPBYRVSA-N 338.307 2.088 10 40 EECB Cc1cc(CNC(=O)[C@@H](C(C)C)N2CCCC2=O)ccc1N(C)C 78912514 FQKQIFWQLRIBGH-GOSISDBHSA-N 331.460 2.324 10 40 EECB CCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2C1=O 575410768 GIIDHYDVFBDPCA-UHFFFAOYSA-N 338.319 2.253 10 40 EECB C[C@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2352885 URGYPHLVESNBRH-LWYMYGMPSA-N 333.394 2.237 10 40 EECB CN(Cc1ccc(N2CCCCC2)cc1)C[C@H](O)Cn1cccn1 51476390 NQNXDBAXDHMHKA-IBGZPJMESA-N 328.460 2.366 10 40 EECB CN(C)c1ccc2c(c1)CN(C(=O)c1ccnnc1)[C@@H]2c1cnco1 96260743 IHYOALHQFYLSND-KRWDZBQOSA-N 335.367 2.276 10 40 EECB [O-][n+]1ccnc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 1615552010 QOUCTWJFKDGPPE-LBPRGKRZSA-N 336.342 2.397 10 40 EECB CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 390835759 XQBVBQANAKKTIV-UHFFFAOYSA-N 336.325 2.304 10 40 EECB CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 22278255 JVZDVRSXJVANEL-UHFFFAOYSA-N 349.412 2.482 10 40 EECB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1O 32109801 ILBDXQADUWUWAD-MLPAPPSSSA-N 330.727 2.213 10 40 EECB COc1ccc(N2N=C(C)/C(=C(\C)NC[C@H]3CCCO3)C2=O)cc1 100422803 KELQBKCVJWECBM-WISAJEAXSA-N 329.400 2.460 10 40 EECB COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3COCCO3)c2C)cc1 65656957 WRWPKZXCCVKUHF-QGZVFWFLSA-N 344.411 2.248 10 40 EECB CC(=O)N1[C@H](C(=O)N2CCCCC2)CS[C@@H]1c1ccccc1O 4699298 FNTXAWXJOBOBSX-WMLDXEAASA-N 334.441 2.367 10 40 EECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)cn1 8381729 KCHBAZUGYPWZCD-XFXZXTDPSA-N 342.742 2.314 10 40 EECB CCc1ccc(/C=C2\SC(N3CCN(C(C)=O)CC3)=NC2=O)cc1 13811224 PIERCUHWCJBUEL-VBKFSLOCSA-N 343.452 2.383 10 40 EECB CCOc1cccc(/C=C2/SC(=S)NC2=O)c1OCC(=O)O 4739741 CEJTVIDJQMSABX-UXBLZVDNSA-N 339.394 2.038 10 40 EECB O=c1cc(CN2CCC[C@@H](n3cccn3)C2)c2cc(O)c(O)cc2o1 97376409 POFCRJLGZWCONL-CYBMUJFWSA-N 341.367 2.238 10 40 EECB CCOc1cc(/C=C2/C(=O)NC(=O)N(C(C)(C)C)C2=O)ccc1O 341618 ZTAOSBSMVITRRG-FLIBITNWSA-N 332.356 2.051 10 40 EECB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 408612377 VQUODJYZYSQOFX-MRXNPFEDSA-N 346.500 2.414 10 40 EECB CCN1C(=O)/C(=C/c2cccn2-c2cccc(C)c2)C(=O)NC1=S 409391012 GTMCQDZLZOUXLU-RVDMUPIBSA-N 339.420 2.432 10 40 EECB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)O 100124583 OFLZLCRJSQJABV-JYRVWZFOSA-N 331.353 2.394 10 40 EECB Cn1ncc2c1CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 42797094 WHRDXZUWNOFSRU-SFHVURJKSA-N 326.444 2.424 10 40 EECB O=C1NC(=O)c2ccccc2/C1=C/c1ccc(N2CCOCC2)cc1 96925146 NVFFSSZQLUEQSB-AQTBWJFISA-N 334.375 2.334 10 40 EECB CCN1/C(=C\C=C2/C(=O)NC(=O)N(C)C2=O)Sc2ccccc21 12139681 AUASOLVSSCIEMS-IAQVKYGWSA-N 329.381 2.095 10 40 EECB CN(C)c1ccc(/C=c2/sc3nnc(-c4ccco4)n3c2=O)cc1 1625267 SBFKMLLYWBKTBA-GXDHUFHOSA-N 338.392 2.025 10 40 EECB Cc1occc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 55916780 NAJVXCIXQOOHDD-HNNXBMFYSA-N 341.411 2.220 10 40 EECB COc1ccc(N2CCN(C(=O)NCc3nc(C)cs3)CC2)cc1 65401510 ZKNHYVNFIDRWFX-UHFFFAOYSA-N 346.456 2.492 10 40 EECB COc1ccc2c(c1)CCCN2CC(=O)Nc1sccc1C(N)=O 8725857 QOTXBHASGKZAAF-UHFFFAOYSA-N 345.424 2.247 10 40 EECB CC[C@H](C)N1C(=O)/C(=C/N[C@H](C)c2ccccc2)C(=O)NC1=S 97969279 KTLGVBLLQAZAKD-OOELYCGDSA-N 331.441 2.263 10 40 EECB CSCC[C@H](NCc1c(O)ccc2c(C)cc(=O)oc12)C(=O)O 1588645 YFGHUVDXWBVVOS-LBPRGKRZSA-N 337.397 2.103 10 40 EECB CN(C)CCN1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S 5235984 QVLAYGXOIOVBPO-JLHYYAGUSA-N 346.481 2.336 10 40 EECB CCN1c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2C(C)=CC1(C)C 113818815 FRBXHPNQOIFWIH-UHFFFAOYSA-N 339.395 2.458 10 40 EECB O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccccc1 1580988 MFFGWQOQICUSKO-UHFFFAOYSA-N 338.388 2.180 10 40 EECB CN1C(=O)C(=Cc2ccc(N3CCCCC3)cc2)C(=O)N(C)C1=O 3570200 YWVDUEUMJREIOD-UHFFFAOYSA-N 327.384 2.111 10 40 EECB COC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 5332449 DUIPNXYXDYGNPV-UHFFFAOYSA-N 349.393 2.279 10 40 EECB CN1C(=O)C(=Cc2ccc(N3CCCCC3)cc2)C(=O)N(C)C1=S 573798 MVACKEAVHMIVOM-UHFFFAOYSA-N 343.452 2.276 10 40 EECB O=[N+]([O-])c1cccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCS3)c1 22404150 YCDIURBBJNCJIT-KRWDZBQOSA-N 342.400 2.375 10 40 EECB COC(=O)c1ccccc1OC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 6759935 PEPMQQRIPNNVCH-RBUKOAKNSA-N 344.363 2.343 10 40 EECB O=C1N=C(O)/C(=C\C=C\c2coc3ccc(F)cc3c2=O)C(=O)N1 17058894 GNAKXAHMUAXHBV-OWOJBTEDSA-N 328.255 2.078 10 40 EECB Cc1ccc(NC(=O)c2cnn3c(O)cc(Cn4cccn4)nc23)cc1 19210723 HKJBPBCMGQKCPT-UHFFFAOYSA-N 348.366 2.240 10 40 EECB CCOC(=O)c1cnc2c(/N=N/c3ccccc3F)c(=O)[nH]n2c1N 4666062 KNFNMYGEJAIWDH-FMQUCBEESA-N 344.306 2.336 10 40 EECB COc1ccc(N2CCN([C@@H](CNC(C)=O)c3ccco3)CC2)cc1 56946222 OSUSEXWFBINCJP-SFHVURJKSA-N 343.427 2.288 10 40 EECB O=C(CCNC(=O)c1ccco1)NCCCSc1nccs1 74135868 VXBCBMNPSOMYJR-UHFFFAOYSA-N 339.442 2.155 10 40 EECB CCN1CCN(c2ccc(CNCc3c[nH]nc3C)cc2F)CC1 78604291 YEJPIHDGACESBC-UHFFFAOYSA-N 331.439 2.289 10 40 EECB CC1CCN(c2ccc(CNC(=O)NCC[S@@](C)=O)cc2)CC1 96408899 XHOHGNZEYPOBRQ-QHCPKHFHSA-N 337.489 2.101 10 40 EECB C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1ncn(C)c1Cl 38109394 LMLGRYCOXMFCEQ-SECBINFHSA-N 329.809 2.161 10 40 EECB Cc1ccc(CC(=O)NCc2ccc(N3CCNCC3)c(F)c2)cc1 95970944 QIFMUFJDMPVFQC-UHFFFAOYSA-N 341.430 2.403 10 40 EECB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnns2)cc1 58406334 DCHOTVSBLZAOQC-HNNXBMFYSA-N 346.456 2.426 10 40 EECB CCc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 107899402 DGHRQLBHWXEYIS-GDNBJRDFSA-N 339.351 2.416 10 40 EECB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OC(C)=O 408757334 YQIYLLPUKKNAAJ-ZSOIEALJSA-N 348.380 2.117 10 40 EECB COc1ccc(N2CCN(c3ncnc(Cl)c3C=O)CC2)cc1 224970091 JXJOMFSNDUZZEY-UHFFFAOYSA-N 332.791 2.278 10 40 EECB CN(C)c1ccc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 18215034 LCKTZXSMPONUTH-UHFFFAOYSA-N 329.444 2.017 10 40 EECB C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(N2CCN(C)CC2)c(F)c1 55510907 RBXPZQLMDYXCEE-HOCLYGCPSA-N 349.450 2.324 10 40 EECB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NN1CCN(C)CC1 112113023 OBBIVUIGHPZIHV-SDXDJHTJSA-N 341.459 2.215 10 40 EECB Cc1nc(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)cs1 30002889 OGVOXYPEFJZCIS-UHFFFAOYSA-N 347.440 2.204 10 40 EECB C[C@H](NC(=O)N1CCO[C@H](C)C1)c1ccc(N2CCOCC2)cc1 65698168 YFPDVBLJUCFINU-CABCVRRESA-N 333.432 2.015 10 40 EECB N=C1/C(=C/c2ccco2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084807 WLUVVOUXSKJNDO-OIJHEUANSA-N 329.385 2.342 10 40 EECB COc1ccccc1N1C(=O)C/C(=C2/C(=O)N(C)c3ccccc32)C1=O 8990747 YTFBMTOSVXQHKS-AQTBWJFISA-N 348.358 2.389 10 40 EECB COC(=O)c1cccc(NS(=O)(=O)c2cccc3nsnc23)c1 14256647 FHKFMUKGQQSGFU-UHFFFAOYSA-N 349.393 2.279 10 40 EECB COC(=O)CCNC(=O)c1cc(C)n(-c2ccccc2OC)c1C 95474529 PVBNMJBZIVLFDF-UHFFFAOYSA-N 330.384 2.396 10 40 EECB CCc1nnsc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 40466636 UDKVBZILINWWET-UHFFFAOYSA-N 346.456 2.209 10 40 EECB c1cc(N2CCSCC2)ccc1CNc1ccc2nncn2n1 48345984 APXUQUCXDUMHOO-UHFFFAOYSA-N 326.429 2.290 10 40 EECB COc1ccc(N2CCC(NC(=O)CCn3ccnc3)CC2)cc1 69582974 WIZHGQRPUARWQN-UHFFFAOYSA-N 328.416 2.067 10 40 EECB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC[C@@H]1CCCO1 103916452 PAJWWKYBUYPEMW-CNYBTUBUSA-N 344.371 2.360 10 40 EECB COc1ccc(N2CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2)cc1 74941240 PBHVVKGRIQONMR-AWEZNQCLSA-N 336.388 2.206 10 40 EECB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 409351490 UWSNPHUYXZKKHY-XYOKQWHBSA-N 337.422 2.460 10 40 EECB COc1cc(CNC(=O)NCc2ccc3c(c2)CCCN3C)ccn1 58558340 MVNURWYWMOPBKF-UHFFFAOYSA-N 340.427 2.472 10 40 EECB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnns2)cc1 58406335 DCHOTVSBLZAOQC-OAHLLOKOSA-N 346.456 2.426 10 40 EECB COc1ccc2cc(/C=C3\SC(=S)N(C)C3=O)c(=O)[nH]c2c1 102732307 ZQBLACADZYNKHC-SDQBBNPISA-N 332.406 2.368 10 40 EECB O=C(CSCc1ccccn1)NCc1cc([N+](=O)[O-])ccc1O 48297573 AWJQIORMXGMBFF-UHFFFAOYSA-N 333.369 2.245 10 40 EECB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccs1 408935046 GDFMVAHAOAEKFS-XYOKQWHBSA-N 343.320 2.323 10 40 EECB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/N(C)C 4436956 JQHGACRTQZUMGS-MDZDMXLPSA-N 344.396 2.008 10 40 EECB COc1ccc(N2CCC(NC(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 69846205 UXIAFLKZFUMYHC-GASCZTMLSA-N 347.459 2.483 10 40 EECB CN1CCN(c2ccc(CNC(=O)Cc3cccs3)cc2)CC1 49740637 LUYDSDHJBIWTGU-UHFFFAOYSA-N 329.469 2.359 10 40 EECB CC(=O)Nc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1O 32912817 XUMMWBVSKUDFTP-UHFFFAOYSA-N 342.323 2.430 10 40 EECB Cc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 55916070 CBRGVXKFGDNDCY-OAHLLOKOSA-N 341.411 2.220 10 40 EECB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCOC 100163485 BDGBWZSYVHDKRQ-SDNWHVSQSA-N 332.360 2.217 10 40 EECB Cc1cccc(NC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2O)n1 69870261 GZCHMQSANZCNAW-UHFFFAOYSA-N 330.344 2.074 10 40 EECB CCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)C(=O)NC1=S 409392505 PTUKQGMYCCGRPV-FMIVXFBMSA-N 348.424 2.129 10 40 EECB COCC(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 58279692 BFSKYUVFRRMTIF-LLVKDONJSA-N 332.322 2.174 10 40 EECB O=C1N=C(O)/C(=C\c2ccncc2)C(=O)N1c1ccc2c(c1)OCO2 59104840 IAFRRZCTCQLBQI-KPKJPENVSA-N 337.291 2.317 10 40 EECB CCN(C)c1ccc(CNC(=O)c2cc(C(N)=O)cs2)cc1F 78912074 XHVHFHLGINBOPY-UHFFFAOYSA-N 335.404 2.372 10 40 EECB Cc1ncsc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 57175976 NHELVCMBMUAIKI-UHFFFAOYSA-N 349.431 2.482 10 40 EECB Oc1ccc(-c2nc3cnccn3c2NC[C@@H]2CCCO2)cc1O 12113847 LAPKDCRCZMBXHH-LBPRGKRZSA-N 326.356 2.398 10 40 EECB CN1C(=O)C(=Cc2cccn2-c2ccccc2F)C(=O)N(C)C1=S 408967622 WEVTVCQIRBYVFJ-UHFFFAOYSA-N 343.383 2.215 10 40 EECB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(N2CCCCC2)cc1 19575906 CFSGEJWEEFSCHL-FFZOFVMBSA-N 329.488 2.316 10 40 EECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2C)C1=O 507812 AZCFJFTVJVXBGB-ACCUITESSA-N 339.351 2.090 10 40 EECB COC(=O)c1nn(-c2ccccc2)c2c1C(=O)c1ccccc1C2=O 1584713 VUYUDRPAKPMGLA-UHFFFAOYSA-N 332.315 2.434 10 40 EECB Cc1ccccc1C(=O)NCc1ccc(N2CCNC(=O)C2)c(F)c1 69901253 KRZWCSFATHVDJM-UHFFFAOYSA-N 341.386 2.000 10 40 EECB CC(C)n1cnc(S(=O)(=O)N(Cc2ccc(N)cc2)C2CC2)c1 97094601 HYAQHLHZMSLYGM-UHFFFAOYSA-N 334.445 2.400 10 40 EECB O=C1NC(=S)NC(=O)C1=Cc1ccccc1Cc1ccccc1F 408869539 SMKWKDVXJWKITO-UHFFFAOYSA-N 340.379 2.331 10 40 EECB O=C(Nc1c(-c2ccccn2)nc2ccccn12)N1CCC(O)CC1 585119689 QDQUUOGFHSGOAZ-UHFFFAOYSA-N 337.383 2.385 10 40 EECB Oc1ccc(Br)cc1CN1CCC2(CC1)OCCO2 12428443 DYNASVCLZGLZCG-UHFFFAOYSA-N 328.206 2.494 10 40 EECB COc1ccc(N2CCCN(C(=O)[C@@H](C)n3ccnc3)CC2)cc1 71820055 UXSJOFXUXUTZMX-OAHLLOKOSA-N 328.416 2.192 10 40 EECB Cc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2C)cc1 40467885 HXLKZAFIOZHZPL-OAHLLOKOSA-N 346.452 2.319 10 40 EECB O=C(NN1C(=O)/C(=C\c2ccccn2)SC1=S)c1cccnc1 8643072 APIRADQKQPHJOJ-XYOKQWHBSA-N 342.405 2.023 10 40 EECB O=C1/C(=C/c2cccs2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 974989 JKCQEAOLCMVAGR-NDVARNPJSA-N 345.492 2.136 10 40 EECB Cc1ccccc1-n1c(C)cc(C(=O)NCCN2CCOCC2)c1C 48090576 GQSBMLRGRCPVHU-UHFFFAOYSA-N 341.455 2.465 10 40 EECB CCOc1cccc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)c1O 16681456 VOYHDQMVLTUHRU-UHFFFAOYSA-N 348.424 2.170 10 40 EECB Cn1cccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 12437328 UYOBZNIJQOQCGN-PKNBQFBNSA-N 329.743 2.345 10 40 EECB O=C1/C(=C/c2cccnc2)SC(=S)N1C1=C[C@H]2OCO[C@H]2C=C1 26771496 PXMBMNUNRHBUDY-IUBKPTGXSA-N 344.417 2.478 10 40 EECB COc1cc2c(cc1OC)C(=O)c1cc(OC)c(OC)cc1C2=O 14628744 WAKICGWWAOUTLO-UHFFFAOYSA-N 328.320 2.496 10 40 EECB O=c1[nH]n(C2CCOCC2)c2c1[C@H](c1ccc(O)c(O)c1)CC(O)=N2 95478865 DJOUDGYCBFFLOO-NSHDSACASA-N 345.355 2.063 10 40 EECB CCN1C(=O)/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)SC1=S 409335761 ZGWUEYGUIITVGB-WQLSENKSSA-N 333.438 2.098 10 40 EECB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2)C1 55916217 LSLVTLZAWKEZTA-IRXDYDNUSA-N 341.455 2.361 10 40 EECB O=C(O)CN1C(=O)/C(=C/c2coc3ccccc3c2=O)SC1=S 1107666 IQHZUPWJYLGIFN-WZUFQYTHSA-N 347.373 2.079 10 40 EECB Cn1ncc2c(O)nc(NCc3ccc(N4CCCCC4)cc3)nc21 583652231 VTGHGIXNPZFEJT-UHFFFAOYSA-N 338.415 2.671 10 40 EECB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccccc3)C2=O)cc1 5009742 RDJBPXAGXNUUIJ-VBKFSLOCSA-N 336.347 2.325 10 40 EECB CCN1C(=O)N/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 4457249 LFMYJMPTFWDXQG-DHZHZOJOSA-N 338.205 2.428 10 40 EECB Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/N(C)C)cc2)n1 9425488 UUGCITSGYRJKBG-HTXNQAPBSA-N 334.405 2.455 10 40 EECB COCCN1C(=O)[C@@H](Cc2ccc(OC)c(C)c2)SC1=S 8336396 ZSRACBONDUKMCZ-CYBMUJFWSA-N 325.455 2.421 10 40 EECB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(OC)c1OC 367938 XQXUBVKUIFFNSO-UHFFFAOYSA-N 348.351 2.466 10 40 EECB COc1ccc(N2CCC(NC(=O)Cn3nc(C)cc3C)CC2)cc1 69518394 NJFMDHBKDNOKLZ-UHFFFAOYSA-N 342.443 2.294 10 40 EECB CCCN1C(=O)N/C(=C/c2ccc(N3CCOCC3)c(C)c2)C1=O 409247638 DZHSSWLAUOGBHR-NTCAYCPXSA-N 329.400 2.134 10 40 EECB O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(O)CCC1 225403110 IWXBUXFQCUOZIK-CQSZACIVSA-N 338.835 2.041 10 40 EECB CCN1CCN(c2ccc(CNC(=O)N3CCCC3)cc2F)CC1 72269996 UMXNMBSWNAWGGI-UHFFFAOYSA-N 334.439 2.273 10 40 EECB COc1cccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)c1O 77837652 KHYVVVXJDKQXEJ-UHFFFAOYSA-N 334.759 2.309 10 40 EECB CCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1CC(=O)OC 4999627 FTCDLNSKRKQCBG-WJDWOHSUSA-N 333.363 2.365 10 40 EECB CCNc1nc(NC(C)(C)C)nc2nnc(SCC(=O)CC)n12 41104953 AXQWOPZSXYKJPZ-UHFFFAOYSA-N 337.453 2.233 10 40 EECB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 4457141 GVFFHOHUGGYMHG-YWEFTTLKSA-N 334.397 2.350 10 40 EECB CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc1Cl 441239 JUUZWTHRHMQKCL-YWEYNIOJSA-N 343.166 2.484 10 40 EECB O=C(C[C@H]1SC(=S)NC1=O)Nc1ccc(Br)cc1 34926768 LAKNDSSREWJBSH-MRVPVSSYSA-N 345.243 2.294 10 40 EECB c1ccc2c(c1)OC[C@@H](CNCc1ccc(N3CCOCC3)cc1)O2 12543930 NEIYIHHYDSJTBO-GOSISDBHSA-N 340.423 2.453 10 40 EECB CCN(CC)C(=O)N1CCCN(c2ccc3c(c2)OCCO3)CC1 72339584 CIWZRTNKSVDMBV-UHFFFAOYSA-N 333.432 2.432 10 40 EECB O=C(O)CCN1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 6660251 QSRVOBYOSXUETN-GHXNOFRVSA-N 345.405 2.306 10 40 EECB COc1ccc(N2CCN([C@@H](C)c3nnnn3C(C)(C)C)CC2)cc1 57613959 SLJSKWGRYVAZBT-AWEZNQCLSA-N 344.463 2.320 10 40 EECB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cccc2nsnc12 65476085 VKVRSHOJJWXXOU-LLVKDONJSA-N 349.437 2.267 10 40 EECB C[C@H](NC(=O)NC1CCC(O)CC1)c1ccc(N2CCOCC2)cc1 65279025 NZFAOUMSXFZTMY-NXVRBGIVSA-N 347.459 2.187 10 40 EECB COc1ccc(N2CCCN(C(=O)[C@H](C)n3ccnc3)CC2)cc1 71820054 UXSJOFXUXUTZMX-HNNXBMFYSA-N 328.416 2.192 10 40 EECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1C 409391658 JDOXDYRZOYJCES-GXDHUFHOSA-N 337.335 2.065 10 40 EECB Cc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccccc1 222392686 ZBSDEYPLIVTEHE-GDNBJRDFSA-N 339.420 2.351 10 40 EECB CC[C@H](C)CS(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1 96406037 WZPLUXJDSDFVOP-ZDUSSCGKSA-N 344.452 2.128 10 40 EECB Cc1cc(C(=O)OCC(=O)N2CCOCC2)c(C)n1-c1ccccc1 3322880 BUOFNPNJCHFXEC-UHFFFAOYSA-N 342.395 2.110 10 40 EECB CN1C(=O)/C(=C\c2ccc(N3CCCCCC3)cc2)C(=O)NC1=S 5215675 VUKDEDOJFYPNSZ-QINSGFPZSA-N 343.452 2.324 10 40 EECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(C)cc(C)c1 9423325 VHFKZYZRTVMCOQ-WNLSXJKCSA-N 347.440 2.004 10 40 EECB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C\NNc1ccccc1 38177293 DXHLXQUNAYBKTC-QINSGFPZSA-N 342.399 2.288 10 40 EECB COc1ccc(C(=O)NC2(Cl)C(=O)c3ccccc3C2=O)cc1 226297282 RMJBKMQUKZAMGQ-UHFFFAOYSA-N 329.739 2.439 10 40 EECB O=C(NN1C(=O)/C(=C\c2ccccn2)SC1=S)c1ccncc1 27229219 JGKBUCYKLVKVFN-FMIVXFBMSA-N 342.405 2.023 10 40 EECB Cn1cnc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 66247482 ANJVQMUEWPFMBS-UHFFFAOYSA-N 346.437 2.443 10 40 EECB CC(=O)N1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)CC1 114335 OIGLUCNIDIXAFI-UVTDQMKNSA-N 349.843 2.474 10 40 EECB CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 95426752 FFTZQFRPIJUILP-HIFRSBDPSA-N 348.443 2.041 10 40 EECB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3C)C(=O)NC2=S)c1 409240451 TZZQVAGAZAOEFL-GXDHUFHOSA-N 339.420 2.473 10 40 EECB CCCCCC([C@@H]1SC(=S)NC1=O)[C@@H]1SC(=S)NC1=O 5782420 NVDSHKQHDGYWIO-YUMQZZPRSA-N 348.540 2.216 10 40 EECB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(O)cc1 120702 ZMABZAJKQAKIRW-HEUOVEHFSA-N 343.379 2.244 10 40 EECB O=C(c1cc(O)cs1)N1CCN(c2nc3cccnc3s2)CC1 101073228 PCWIUGHKWZVKID-UHFFFAOYSA-N 346.437 2.421 10 40 EECB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(C)s1 6680074 BLCXBNOHAZODNE-UHFFFAOYSA-N 340.426 2.313 10 40 EECB CO[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 69662008 BMWQZFBGGJOAQX-YJBOKZPZSA-N 347.459 2.405 10 40 EECB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(N2CCOCC2)cc1 89948927 NDTTYKHHJFSVSY-UYAOXDASSA-N 345.487 2.260 10 40 EECB Cc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 408547057 IARBJUPJZBYPNT-ZROIWOOFSA-N 325.324 2.162 10 40 EECB CC(=O)NC1=NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)S1 408729979 CZEGUGXIPYPMJB-YHYXMXQVSA-N 325.733 2.355 10 40 EECB COc1cccc(N2C(=O)NC(=O)/C(=C\c3cccs3)C2=O)c1 86799 TZKSISVYZFCRSZ-UKTHLTGXSA-N 328.349 2.423 10 40 EECB COc1ccc(CN2CCC(O)(c3cccnc3F)CC2)c(O)c1 72339999 JRFOVRJJMOIUFA-UHFFFAOYSA-N 332.375 2.419 10 40 EECB CNc1cc(N2CCC[C@@H]2CNCc2ccc3c(c2)CCO3)ncn1 109070235 IUYWWAZFEXXZIH-MRXNPFEDSA-N 339.443 2.212 10 40 EECB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)cc3O)C2=O)cc1 5544310 WICJKGBRHXQFMW-ZSOIEALJSA-N 338.319 2.073 10 40 EECB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1C 408774684 CMHFNFNUABMSLL-XNTDXEJSSA-N 339.420 2.473 10 40 EECB O=C1NC(=S)NC(=O)C1=Cc1ccc(N2Cc3ccccc3C2)cc1 4994042 NSJKYLZEJRKIAM-UHFFFAOYSA-N 349.415 2.121 10 40 EECB COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccsc3)C2=O)c1 87088 XVSAPFYEBZESDQ-NTUHNPAUSA-N 328.349 2.423 10 40 EECB Cn1nnnc1-c1cccc(NC(=O)CSc2nccs2)c1 32932566 KALXNRCMMKHLGH-UHFFFAOYSA-N 332.414 2.064 10 40 EECB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N(C)C)cc1 15832827 MAYDVWBCMYWNFX-UHFFFAOYSA-N 346.452 2.476 10 40 EECB Cc1cc(N(Cc2ccccc2O)C[C@H]2CCCO2)n2ncnc2n1 89595991 RMYDQBNQUPTDFM-OAHLLOKOSA-N 339.399 2.324 10 40 EECB C[C@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(N2CCCC2)cc1 58029403 ZLXMYRKWAOAGMT-MAUKXSAKSA-N 332.444 2.487 10 40 EECB Cc1cc(O)c(CN2CCN(CC(=O)N3CCCCC3)CC2)cc1C 28791865 IJUMWKGEDQZWBO-UHFFFAOYSA-N 345.487 2.139 10 40 EECB CN1C(=O)C(=Cc2ccccc2OC(F)(F)F)C(=O)N(C)C1=O 14165567 TXSUVRLANSKQND-UHFFFAOYSA-N 328.246 2.019 10 40 EECB Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1C 450038 PNGOFILDYLHBND-NVNXTCNLSA-N 341.342 2.447 10 40 EECB C[C@@H](Nc1ncnc2c1cnn2C)c1ccc(N2CCOCC2)cc1 71831034 XERNJTVTQXMQGG-CYBMUJFWSA-N 338.415 2.373 10 40 EECB Cc1cc(C(=O)NC2CCN(C(N)=O)CC2)c(C)n1-c1ccccc1 69367244 AXTJGQPCBGXMKN-UHFFFAOYSA-N 340.427 2.367 10 40 EECB O=C(O)CN1C(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)SC1=S 16779105 MLHHBBGANFHAJH-SNVBAGLBSA-N 343.813 2.226 10 40 EECB C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1ncn(C)c1Cl 38109393 LMLGRYCOXMFCEQ-VIFPVBQESA-N 329.809 2.161 10 40 EECB C[N+](C)(C)c1ccc(CNc2cccc3c(=O)[nH][nH]c(=O)c23)cc1 223814123 NMEAFBQIPJDIBX-UHFFFAOYSA-O 325.392 2.025 10 40 EECB CCN(CC)c1ccc(/C=C/c2ncc(C(=O)NC)c(=O)[nH]2)cc1F 95399626 YRLDEWGMPKIITG-VQHVLOKHSA-N 344.390 2.285 10 40 EECB O=C(CC1CCCCC1)NCc1ccc(N2CCNC(=O)C2)cc1 58228654 RNDTYSJNQNUKJO-UHFFFAOYSA-N 329.444 2.209 10 40 EECB COc1ccccc1N1C[C@@H](C(=O)NCc2ccccc2O)CC1=O 58216743 XKHRNIBRTUYIPV-AWEZNQCLSA-N 340.379 2.070 10 40 EECB O=C(Cn1ccnc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 10809353 LUXQSRBGCLRJTE-UHFFFAOYSA-N 331.331 2.297 10 40 EECB Cc1ccccc1N1C(=O)/C(=C\c2cccn2C)C(=O)NC1=S 4871712 YJEUTESYFJHDIU-RAXLEYEMSA-N 325.393 2.165 10 40 EECB COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccsc3)C2=O)cc1 6941528 WJJQQEHKPQNAEV-ZSOIEALJSA-N 342.376 2.419 10 40 EECB COc1ccc(CNCc2cccnc2N2CCN(C)CC2)cc1C 71834560 ZQDMLOLWJAFBKI-UHFFFAOYSA-N 340.471 2.440 10 40 EECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cccc(O)c1 35316474 TTXYLFALWGLHPX-PTNGSMBKSA-N 331.368 2.101 10 40 EECB CCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1CC(=O)OC 4999626 REVQUWMVMAJZAB-ATVHPVEESA-N 345.399 2.235 10 40 EECB COc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)c(OC)c1 83828 KAQRNBFEIXEWRO-NTEUORMPSA-N 334.397 2.006 10 40 EECB CNC(=O)c1cccnc1NCc1ccc(N2CCOCC2)c(F)c1 96429207 PTGMJNCCGLHNNI-UHFFFAOYSA-N 344.390 2.029 10 40 EECB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C 408621754 MDDTYZRKBQGLRL-UHFFFAOYSA-N 348.380 2.483 10 40 EECB C[C@@H]1O[C@H](Nc2ccc(/N=N/c3ccccc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O 245232543 XGASUXNFWLJGAS-LFNNHWLISA-N 343.383 2.341 10 40 EECB O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(O)c(O)c1 97235070 OZPCMDBWWUGBRJ-LBPRGKRZSA-N 334.322 2.385 10 40 EECB CSCc1ccc(CNCc2ccc(N3CCNC(=O)C3)cc2)o1 48234569 ORABZUKYXPCEIN-UHFFFAOYSA-N 345.468 2.369 10 40 EECB COc1ccc(N2CCC(NC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 69846208 UXIAFLKZFUMYHC-HUUCEWRRSA-N 347.459 2.483 10 40 EECB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cccc(O)c1 408769506 NDQKOPGFCHSOHD-CCAPLTMGSA-N 343.379 2.244 10 40 EECB O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(-n2cncn2)c1 54676195 HUVHVUNILHIHBW-UHFFFAOYSA-N 348.410 2.193 10 40 EECB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)cs1 6681617 MNGDVGMJJPNJKW-UHFFFAOYSA-N 326.399 2.004 10 40 EECB Cn1cccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 409100850 WYSQQPJTSNENIZ-UKTHLTGXSA-N 329.743 2.345 10 40 EECB CCCCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 32751814 YRCWXLKLZRQLDD-UHFFFAOYSA-N 346.383 2.308 10 40 EECB COc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)c2nonc12 32579211 FGTBCHPZCFRVBP-UHFFFAOYSA-N 341.295 2.310 10 40 EECB Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(=O)[nH]1 75124227 MSYXCQFWFKKBHW-AWEZNQCLSA-N 341.411 2.011 10 40 EECB Cc1ccc(-n2c(C)cc(C(=O)CN3CCNC(=O)C3)c2C)cc1 12646020 TXNHZLNKRHNJPB-UHFFFAOYSA-N 325.412 2.017 10 40 EECB CN(C)c1ccc(CNC(=O)NC[C@H](O)c2ccccc2F)cc1 32826202 LPNLCYSRTSYBIK-KRWDZBQOSA-N 331.391 2.425 10 40 EECB C[C@@H]1Cc2cc(/C=C3\SC(N4CCOCC4)=NC3=O)ccc2O1 16810433 LEFDFUUXVVNGRB-MKVLZVNKSA-N 330.409 2.313 10 40 EECB COc1cccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1OC 4999332 ASFPSLCWIFKSAO-JLHYYAGUSA-N 344.367 2.108 10 40 EECB Cc1nc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cs1 48353692 PLIOOISKLNXKGB-OAHLLOKOSA-N 344.484 2.443 10 40 EECB CCOc1ccc(/C=C2\C(=O)NC(=S)N(CC)C2=O)c(OCC)c1 409390288 CGIXSOLOSUUPEF-UKTHLTGXSA-N 348.424 2.131 10 40 EECB C[C@H](O)Cc1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O 514287746 RILOVTGOFDASJT-LURJTMIESA-N 348.738 2.156 10 40 EECB biogenic,in-vitro COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(C)C1=O 195751878 NZBZTKVFDJASET-LCYFTJDESA-N 326.377 2.105 10 40 EECB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(O)nn1 24207547 DIAXSGZSHRSRRI-UHFFFAOYSA-N 326.400 2.445 10 40 EECB CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 42385212 WDGYACZRKJYVLX-MRXNPFEDSA-N 331.460 2.263 10 40 EECB COc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108123016 XKCKOSMBAAYPLC-WJDWOHSUSA-N 337.379 2.223 10 40 EECB CC(=O)NN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S 13735249 HPTQQGFFWAIPGS-JYRVWZFOSA-N 329.406 2.487 10 40 EECB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1Cc1ccco1 14181209 FTMMZAKLXVNIPN-UHFFFAOYSA-N 341.367 2.180 10 40 EECB CCOc1ccc(/C=C2\C(=O)N(CCOC)C(C)=C2C(=O)OC)cc1 408976773 SCBICTXPRSMECB-VBKFSLOCSA-N 345.395 2.404 10 40 EECB Cc1cccc(N2C(=O)/C(=C\c3cccn3C)C(=O)NC2=S)c1 4825105 YEAXOLZBAXTLHF-UVTDQMKNSA-N 325.393 2.165 10 40 EECB CC(=O)Oc1cccc2c1C(=O)[C@@H]1CC=C[C@@H](OC(C)=O)[C@@H]1C2=O 18168000 NPMJTXFWZBYDJF-XNRPHZJLSA-N 328.320 2.115 10 40 EECB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(O)c1 408916761 HBTKLLIWUSOKID-ZROIWOOFSA-N 342.351 2.363 10 40 EECB COc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1F 7361140 LYSMDHYJIGZONE-UHFFFAOYSA-N 325.317 2.364 10 40 EECB C[C@@H](C(=O)O)N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S 27533772 URGYPHLVESNBRH-FSEMZKDTSA-N 333.394 2.237 10 40 EECB Cn1cc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cn1 66254204 MRKLHRQPCDXHGQ-UHFFFAOYSA-N 338.389 2.484 10 40 EECB CCC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 19498382 WJARXORPHUSHDW-OALUTQOASA-N 326.444 2.496 10 40 EECB Oc1ccc(CC[C@@H](O)C[C@@H](O)CCc2ccc(O)c(O)c2)cc1 13341040 XLTITIJKWVRJMS-SJORKVTESA-N 332.396 2.481 10 40 EECB biogenic,in-vitro Cc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2C)cc1 40467888 HXLKZAFIOZHZPL-HNNXBMFYSA-N 346.452 2.319 10 40 EECB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 53610 ZTYCRSBGADRWNX-UVTDQMKNSA-N 342.351 2.179 10 40 EECB CN1CC[C@@]23N[C@@H](N[C@H](c4ccccc4O)[C@H]2C1)c1ccccc1O3 1889219240 QIHWHUQGGDZXRB-XLNTUCKNSA-N 337.423 2.365 10 40 EECB CN(CCc1nccs1)Cc1cc(=O)oc2cc(O)c(O)cc12 97135217 UXJXVQIDVWJSCK-UHFFFAOYSA-N 332.381 2.335 10 40 EECB COc1ccc(N2CCCN(CC(=O)NC3CCCC3)CC2)cc1 52466021 XWTUXBDRKANRKM-UHFFFAOYSA-N 331.460 2.266 10 40 EECB COc1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)C=[N+]=[N-])c1 6316354 BKGBPJWSGDOCGM-UHFFFAOYSA-N 345.380 2.288 10 40 EECB CC(=O)N1[C@H](c2ccccc2O)SC[C@H]1C(=O)N1CCCCC1 4699300 FNTXAWXJOBOBSX-YOEHRIQHSA-N 334.441 2.367 10 40 EECB O=[N+]([O-])c1ccc(O)c(CNC2CCN(Cc3ccccn3)CC2)c1 71792532 LMJMXNLTDXSKMO-UHFFFAOYSA-N 342.399 2.450 10 40 EECB Cc1nc2ccc(NS(=O)(=O)c3cccc4nonc34)cc2[nH]1 44920066 NSUUJPPGGFERAU-UHFFFAOYSA-N 329.341 2.208 10 40 EECB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC 573029 DSNHFSNJHQLOQO-ZDIKFAODSA-N 348.424 2.129 10 40 EECB C[C@@H]1Oc2ccccc2N(CC(=O)N(C)Cc2ccccc2O)C1=O 42116770 LDIZUSYPAMUWHL-ZDUSSCGKSA-N 340.379 2.165 10 40 EECB CN(Cc1ccccc1O)C(=O)NCCc1nnc2n1CCCCC2 45384738 DGBNSQFPMIVMIS-UHFFFAOYSA-N 343.431 2.094 10 40 EECB Cc1noc(C)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 36625036 YXCSDMJTPRHTTE-UHFFFAOYSA-N 329.400 2.400 10 40 EECB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccccn3)C2=O)c1 408536266 VPZWHVUQIUXICI-JLHYYAGUSA-N 336.351 2.277 10 40 EECB COC1(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 226297955 SUBFFJGPCXSDSY-UHFFFAOYSA-N 329.739 2.492 10 40 EECB CN1CCN(c2ccc(CNC(=S)Nc3ccncc3)cc2)CC1 225777536 UTXFHLWUBGBHRF-UHFFFAOYSA-N 341.484 2.320 10 40 EECB O=C1/C(=C\c2cccs2)SC(=S)N1CCN1CCOCC1 98002075 QEAZPTVFMHMMBO-ZRDIBKRKSA-N 340.495 2.282 10 40 EECB COc1ccccc1N1CCN(CC(=O)Nc2ccc(N)cc2)CC1 57615685 GTJOUSTYUSDOET-UHFFFAOYSA-N 340.427 2.038 10 40 EECB O=C1NC(=S)N=C(O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 191421 GFNQUOQJWYCJOP-UHFFFAOYSA-N 342.336 2.140 10 40 EECB CC[C@@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 44491 PKGPMKGQIZBWIX-CQSZACIVSA-N 331.368 2.330 10 40 EECB CN(Cc1ccccc1O)C(=O)CCNC(=O)OCC(F)(F)F 58311098 DMPGEYDOOQWUBF-UHFFFAOYSA-N 334.294 2.029 10 40 EECB CC[C@H](C)N1C(=O)/C(=C\NCCC2=CCCCC2)C(=O)NC1=S 5799736 JPRCGHBIDNJSLS-PBBNAPBQSA-N 335.473 2.392 10 40 EECB COc1ccc(-n2nnnc2CNC(=O)Nc2ccc(F)cc2)cc1 9571351 UQKBPYHZMJDAPT-UHFFFAOYSA-N 342.334 2.132 10 40 EECB CN(C)c1ccc(CNC(=O)N[C@H]2CCCc3c2cnn3C)cc1 31730967 JNCFIRLMEUXNON-INIZCTEOSA-N 327.432 2.363 10 40 EECB COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2C)SC1=S 9024932 BVUUOYQTIQRNRD-LBPRGKRZSA-N 338.454 2.199 10 40 EECB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OC(C)C 59139321 RMORJHUFRFDJRI-UHFFFAOYSA-N 348.424 2.081 10 40 EECB COc1cccc(CS(=O)(=O)NCc2ccc(N(C)C)cc2)c1 71910730 AYLAPVJNJSVBAN-UHFFFAOYSA-N 334.441 2.381 10 40 EECB O=C(O)COc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O 222246869 YFOVFSMMSYDXDV-WTKPLQERSA-N 329.786 2.292 10 40 EECB CC1CCN(c2ccc(CNC(=O)NCC[S@](C)=O)cc2)CC1 96408898 XHOHGNZEYPOBRQ-HSZRJFAPSA-N 337.489 2.101 10 40 EECB CN1CCC[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 252487581 ZFANXIMANUGRCL-DLBZAZTESA-N 332.444 2.242 10 40 EECB O=C(Cc1ccccc1F)NCc1ccc(N2CCNCC2)c(F)c1 97019048 KHUCIWXXGPOAIT-UHFFFAOYSA-N 345.393 2.233 10 40 EECB COc1ccc(/C=C2/SC(=S)N(CCCC(N)=O)C2=O)cc1 2207802 PQFZETZMDXGXDX-FMIVXFBMSA-N 336.438 2.162 10 40 EECB C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)N1CCCC[C@H]1C 69703239 GGOAHEQEVWMTQO-HUUCEWRRSA-N 346.475 2.341 10 40 EECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3C)C2=O)cc1 519976 GREFSOCIZDYYGB-RVDMUPIBSA-N 339.351 2.090 10 40 EECB C[C@@H]1CCCN(S(=O)(=O)NCCCSc2nccs2)C1 69658279 VLGXJFDZJQBEKW-LLVKDONJSA-N 335.520 2.192 10 40 EECB COc1ccc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C 76020635 HSHRVYKLPQFVTI-SJLPKXTDSA-N 346.383 2.096 10 40 EECB O=C1/C(=C/c2ccccc2F)SC(=S)N1CN1CCOCC1 33294968 CGIXHGDOEBBSHK-LCYFTJDESA-N 338.429 2.317 10 40 EECB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2O)S1 408763176 NZYZPJXSDRQMGE-YHYXMXQVSA-N 341.186 2.261 10 40 EECB COC(=O)C[C@H]1C=C[C@@H](OC)[C@@]2(C)C(=O)c3ccccc3C(=O)[C@@H]12 6442430 NLTGRGGKJQBQDX-HHPVRZFTSA-N 328.364 2.452 10 40 EECB CN(C)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1 48711438 CRRVWGKXUAUYTJ-UHFFFAOYSA-N 326.444 2.274 10 40 EECB