smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features NS(=O)(=O)c1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH][nH]c(Cl)c4c23)cc1 169685140 LWZGGYIOLDKNFI-XUTLUUPISA-N 390.812 3.054 10 1 GGCF COC(=O)c1c(C)cc2c(c1O)C(=O)c1cc(CC=C(C)C)c(O)cc1C2=O 2356679406 SXVCCAWHPGUJRW-UHFFFAOYSA-N 380.396 3.477 10 1 GGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)C2=[N+]=[N-])N1 587748417 WZRAPERPDNSRMO-XLFHBGCDSA-N 380.261 3.378 10 1 GGCF Oc1ccc([C@@H]2Oc3c(c(O)cc4oc5cc(O)c(O)cc5c34)C[C@@H]2O)cc1O 2356571885 HZIPWFRHYVQIAX-JXFKEZNVSA-N 396.351 3.151 10 1 GGCF CCOc1ccc(N2CCN(C(=O)CNc3ccc(C(C)=O)cc3)CC2)cc1 144826956 QEVGJQAKVJPHSF-UHFFFAOYSA-N 381.476 3.049 10 1 GGCF CCC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(=O)CC)cc(OC)cc1C2=O 40846438 JBDAPUXFGJVNGO-UHFFFAOYSA-N 396.395 3.410 10 1 GGCF biogenic CC(=CCc1c(O)c(O)cc2c1OC[C@@H]1c3cc4c(cc3O[C@H]21)COC4)CO 2356390657 BZTOCIGDCPTQOF-VGOFRKELSA-N 382.412 3.219 10 1 GGCF Nc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 13776378 SAJMJWKYJRZVSC-UHFFFAOYSA-N 376.419 3.101 10 1 GGCF CN(C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2c2nc3ccccc3nc12 13586911 JJWHJJNQCXMRDB-UHFFFAOYSA-N 389.415 3.136 10 1 GGCF CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(C(F)(F)F)s2)cc1 1857558714 RSHXYWMXLKRKRS-GJZGRUSLSA-N 397.466 3.452 10 1 GGCF Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N(CC(=O)O)C1=O 95583961 LQJPBLJBBPOUBO-GHXNOFRVSA-N 393.877 3.120 10 1 GGCF O=C(O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1)c1ccccc1 13537305 IIKUVEBKROVLLI-QUCCMNQESA-N 394.379 3.411 10 1 GGCF Nc1ccc(-n2ccc(=O)c3c(=O)n(Cc4ccc(Cl)cc4)ccc32)cc1 653889458 CBKCIFMOTHULGS-UHFFFAOYSA-N 377.831 3.436 10 1 GGCF CNC[C@]1(c2ccc(O)c(O)c2)c2ccsc2CCN1Cc1cccnc1 962999363 QSOIJXLZIZZCBK-NRFANRHFSA-N 381.501 3.076 10 1 GGCF COc1ccc(-c2cnnc(/N=N\Cc3ccccc3OCC(=O)O)n2)cc1 169719765 HOJMBJHOFIGCAX-ATJXCDBQSA-N 379.376 3.295 10 1 GGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)nc(S)nc3[nH]1)[C@H]1CC=C[C@H]21 587277424 VRVQAOSLQGRLCR-KWBADKCTSA-N 396.432 3.390 10 1 GGCF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(N2CCN(C)CC2)cc1 963068960 QXPCMXDVZGVTON-QHCPKHFHSA-N 388.515 3.230 10 1 GGCF O=C1c2ccccc2C(=O)c2cc3oc(SCCN4CCOCC4)nc3cc21 299826873 OGZHDXVKZYMDHC-UHFFFAOYSA-N 394.452 3.028 10 1 GGCF COc1ccc(-c2cc(=O)c3cc(OC)c(O)c([C@H]4CCC(=O)N4)c3o2)cc1 1857540580 MDAYPUNLRZXDDU-CQSZACIVSA-N 381.384 3.134 10 1 GGCF CC1=NC(=O)N[C@@H](c2ccc(N3CCOCC3)cc2)[C@@H]1C(=O)c1ccccc1 169693161 IYKKIDZEHLHHSI-UXHICEINSA-N 377.444 3.248 10 1 GGCF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587202303 CDTUYIVFCKPGBD-GOSISDBHSA-N 395.463 3.016 10 1 GGCF CCOC(=O)c1c2c(n3cccc(Br)c13)C(=O)c1cccnc1C2=O 40848727 NHYYOVXOARDQKV-UHFFFAOYSA-N 399.200 3.049 10 1 GGCF Oc1ccc(Br)cc1CN1CCN(c2ncnc3ccccc23)CC1 95598170 CFQPJLMTWSKIRI-UHFFFAOYSA-N 399.292 3.420 10 1 GGCF COc1ccccc1/C=C/C(=O)NCC(=O)/N=N/c1c(O)[nH]c2ccccc12 96901532 ZSDXMIPTYJTUND-MCRSFOJQSA-N 378.388 3.322 10 1 GGCF COc1ccccc1/C=C/C(=O)NCC(=O)N=Nc1c(O)[nH]c2ccccc12 253979577 ZSDXMIPTYJTUND-MIBFWVIOSA-N 378.388 3.322 10 1 GGCF CN(C)CCNC(=O)c1cccc2nc3ccc4cc([N+](=O)[O-])ccc4c3nc12 27763572 UEECOUIRCPZQEB-UHFFFAOYSA-N 389.415 3.136 10 1 GGCF CCO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23C[C@H](O)CC(C)(C)[C@@H]2[C@H]1OC3=O 2356435016 NYXQGVNPFGAHMA-KNQXWXJHSA-N 390.476 3.273 10 1 GGCF COC[C@@]1(c2ccc(O)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797887 YJAYRDVKXCKLLN-YPMLDQLKSA-N 396.256 3.424 10 1 GGCF NC[C@]1(c2ccccc2O)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962623370 CWHLUUVKDOPHKH-PXDATVDWSA-N 385.511 3.341 10 1 GGCF O=C(O)C[C@@H]1CCN(Cc2ccccc2O)C[C@H]1Cc1nc2ccccc2[nH]1 2356457336 MTAHIUUTXKNSNS-DOTOQJQBSA-N 379.460 3.424 10 1 GGCF CCOC(=O)c1cc(C)n(-c2ccc(C(=O)OC)cc2O[C@H]2CCOC2)c1C 587924578 DHXFTCWYXIDIGX-INIZCTEOSA-N 387.432 3.225 10 1 GGCF CSCC[C@@H](NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O 17257070 MCZOQAVTLSACNL-QGZVFWFLSA-N 399.468 3.462 10 1 GGCF COc1cc2c3c(c1)OC1(CCN(c4ccc5c(c4)OCO5)CC1)[C@@H](C2)C3=O 587434846 CJOOJHGTGROFGQ-INIZCTEOSA-N 379.412 3.211 10 1 GGCF CN1CC[N+](=c2cc(/C=C/c3ccc(N(C)C)cc3)n(C)c3ccccc23)CC1 1772633947 PIYLNULNUSTZLL-UHFFFAOYSA-N 387.551 3.132 10 1 GGCF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cc(C=O)c(O)c(O)c1O 962399435 PSMOTQBWKSBNPQ-QGZVFWFLSA-N 384.457 3.164 10 1 GGCF C[C@@H](OC(=O)CCCC(=O)O)c1cc2c(s1)C(=O)c1sccc1C2=O 28893937 CPVFRJNRDGSUBA-MRVPVSSYSA-N 378.427 3.444 10 1 GGCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(O)c(O)c21 587403310 GDWMLMUDBVZXDO-HSZRJFAPSA-N 387.391 3.442 10 1 GGCF Cc1cc(-c2ccc3c(O)nc(O)nc3n2)c(C)n1-c1ccc(C(=O)O)cc1 587552681 CHBPBWCYNGKIQZ-UHFFFAOYSA-N 376.372 3.209 10 1 GGCF COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)O)c2cc(-c3ccc(O)c(O)c3)oc12 1772633864 JTWCTUVJACKEKZ-BWNDKRECSA-N 397.383 3.122 10 1 GGCF COC(=O)N1C2(C=C[C@@]1(C)C(=O)NCc1ccc(N(C)C)cc1)CCCCC2 7992832 ZLGMSSKIPRLBAC-NRFANRHFSA-N 385.508 3.469 10 1 GGCF Cc1nc(-c2ccccc2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)s1 62233324 KOASFMIVRVUAHJ-GHXNOFRVSA-N 376.484 3.404 10 1 GGCF CSc1ccccc1[C@@H]1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1 117843044 BWOIOAFNMATNEP-SFHVURJKSA-N 398.532 3.154 10 1 GGCF [N-]=[N+]=NCCCCCCOc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1 40394725 OJFGHXGFJPOPQQ-UHFFFAOYSA-N 382.428 3.412 10 1 GGCF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)[C@H](OC)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C 257481434 MEKWGZJWKCYLQM-ARJLLMRYSA-N 394.508 3.343 10 1 GGCF endogenous,in-man COc1ccc(-n2c(CCCC(=O)O)nc3c2C(=O)c2ccccc2C3=O)cc1 1855972 YFVZBGDXVGBVPX-UHFFFAOYSA-N 390.395 3.064 10 1 GGCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC[C@@H]5CO5)cc34)[C@@H]21 95555448 AWBULLZOOPODCP-SPLOXXLWSA-N 375.428 3.092 10 1 GGCF O=C(O)c1cc(O)c(O)cc1-c1cc2cc(Br)ccc2oc1=O 169309746 KBINOMCYLUFKKZ-UHFFFAOYSA-N 377.146 3.332 10 1 GGCF CCCn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 253634148 POHMGMFALGPTQS-OWERJGSSSA-N 384.520 3.324 10 1 GGCF CCOc1cc(Br)cc([C@@H]2NCCc3c(C(=O)O)cccc32)c1O 963129486 FLNYNTSXZVNQFM-MRXNPFEDSA-N 392.249 3.487 10 1 GGCF C[C@@H](CCCCC(=O)NC1CCCCC1)NC[C@H](O)c1ccc(O)c(O)c1 27555996 RISRKRAMYMWNQP-YWZLYKJASA-N 378.513 3.119 10 1 GGCF COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(OC)c(C(C)C)c1O)C2=O 14646178 OIFREOFWPSVYCS-UHFFFAOYSA-N 386.400 3.325 10 1 GGCF biogenic Nc1ccc(CC[C@H]2CCCC=C[C@@H]3C[C@H](O)C[C@H]3[C@H](O)C=CC(=O)O2)cc1 1857626510 XYHXWNUKNRJNQN-SGCGGLILSA-N 385.504 3.158 10 1 GGCF COc1cc(C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])cc(O)c1O 73197767 UTDYISBJQQHLHF-UHFFFAOYSA-N 383.154 3.029 10 1 GGCF COc1cc(CC[C@H]2C[C@@H](O)C[C@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 13340619 YYPVGAJJYQQFMX-RVKKMQEKSA-N 390.432 3.034 10 1 GGCF in-man O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccc(S(=O)(=O)O)cc1 28359914 KPRDEYZQDGJCRJ-UVTDQMKNSA-N 377.468 3.339 10 1 GGCF O=C1c2ccccc2-c2nc3nc(O)[nH]c(=O)c3c(-c3ccnc4ccccc34)c21 71317671 USZOEEIPUMDCCK-UHFFFAOYSA-N 392.374 3.450 10 1 GGCF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3c(F)ccc(F)c3O)N12 962663976 KHJOXXWEAHADIJ-LAUBAEHRSA-N 384.382 3.407 10 1 GGCF CN1CCN(c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)CC1 58590812 VAEXXTRBLCNPTN-UHFFFAOYSA-N 381.501 3.392 10 1 GGCF COc1cc(C(=O)c2c[nH]c(-c3ccc(N(C)C)cc3)n2)cc(OC)c1OC 64527094 QVZSIKURPOXLEF-UHFFFAOYSA-N 381.432 3.400 10 1 GGCF COc1cc2c(cc1OC)[C@H](C(=O)O)[C@H](c1cc(Cl)ccc1O)N(C)C2=O 4563695 LMJLPWMWAXDCHO-IRXDYDNUSA-N 391.807 3.058 10 1 GGCF O=C1C(=O)c2nc(CN3CCN(Cc4ccccc4)CC3)oc2-c2ccccc21 653700806 NTZUMXNKAYXUJS-UHFFFAOYSA-N 387.439 3.038 10 1 GGCF COC(=O)c1cc2c(s1)C(=O)c1c(C(C)=O)c3cc(Cl)ccn3c1C2=O 84690448 HXTYVGINDYFMCU-UHFFFAOYSA-N 387.800 3.419 10 1 GGCF CC1=NN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2cc(Cl)ccc2O)C1 653730209 IGSMNYHPEKYRPJ-OAHLLOKOSA-N 395.824 3.465 10 1 GGCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)cc1[N+](=O)[O-] 587577114 QYVKWYKWJSKOBP-XLIONFOSSA-N 395.323 3.415 10 1 GGCF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc(F)cc(F)c2O)N1 962972007 TVVIKPZLLQGSJP-BXUZGUMPSA-N 375.705 3.290 10 1 GGCF CC(C)(SCC(=O)O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586959852 RFXOYYUOHXYGNJ-UHFFFAOYSA-N 380.425 3.391 10 1 GGCF COc1c(CC=C(C)C)cc([C@@H]2COc3cc(O)cc(O)c3C2=O)c(O)c1O 14648403 ZJCPPBADWSSZIL-AWEZNQCLSA-N 386.400 3.385 10 1 GGCF biogenic O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c(-c3ccccc3O)c2)c1 35000923 NJZLTPHJBPAOKP-UHFFFAOYSA-N 386.385 3.474 10 1 GGCF CC(=O)c1c(O)c(O)c(Cc2c(O)c(C)c(C)oc2=O)c(O)c1CC=C(C)C 13372470 BGLAMXJBTZOWLK-UHFFFAOYSA-N 388.416 3.381 10 1 GGCF biogenic C/C=C(\C)C(=O)O[C@@H]1C2=C(C)[C@H](OC)O[C@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C 85691298 MEKWGZJWKCYLQM-AWXPANRESA-N 394.508 3.343 10 1 GGCF in-man COc1ccc(OC)c([C@@]2(C)NCCc3cc4cccc(OC)c4nc32)c1O 963040327 WGPHYXTZMXKOOL-JOCHJYFZSA-N 380.444 3.375 10 1 GGCF C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)Cc1cccnc1)[C@@H](CO)N2C 95878860 NAOWZUCOFVWKRA-GGPXVYEHSA-N 377.488 3.058 10 1 GGCF COC(=O)[C@H](C)c1ccc(-c2ccc(O)c(CN3CCN(C)CC3)c2)c(F)c1 1857546974 OQSDPWSPHIMOTF-OAHLLOKOSA-N 386.467 3.222 10 1 GGCF CN1CCN(c2ccc([C@H]3COC(=O)N3c3ccc4nc[nH]c4c3)cc2)CC1 116193322 RGGOCMGTWDMKAU-HXUWFJFHSA-N 377.448 3.013 10 1 GGCF COc1ccc(CCNC(=O)c2cc3c(o2)C(=O)c2ccccc2C3=O)cc1 1857609023 WNBHYSPBAILKIX-UHFFFAOYSA-N 375.380 3.036 10 1 GGCF COc1cc2c(c(Cc3ccccc3)c1C(=O)O)C(=O)c1c(O)cccc1C2=O 28825677 QJFJDEKFYHWFRF-UHFFFAOYSA-N 388.375 3.465 10 1 GGCF COC(=O)c1cccc(OCC(COc2cccc(C(=O)OC)c2)N=[N+]=[N-])c1 2178320298 YMOJQPRPQVWSRE-UHFFFAOYSA-N 385.376 3.397 10 1 GGCF CN1CCc2c(Br)cccc2[C@@H]1c1cc(S(C)(=O)=O)ccc1O 963281318 RHBVGEPWAQCHAO-QGZVFWFLSA-N 396.306 3.136 10 1 GGCF COC(=O)[C@H](C)CCC[C@H](C)[C@@H]1c2cc(C(=O)O)c(O)c(O)c2[C@H](C)C[C@@H]1O 2356850832 QAXGJLBRJMSWEY-DAEOAZLPSA-N 394.464 3.363 10 1 GGCF Nc1ccc(Oc2ccc3nc(-c4cc(S(N)(=O)=O)ccc4F)[nH]c3c2)cc1 587141703 UVRZJQRHYNIOHM-UHFFFAOYSA-N 398.419 3.391 10 1 GGCF CCN(CC)CCCNc1ccc2c3c(nn2CCO)-c2ccccc2C(=O)c13 28757186 OQPOYDHUBCBMJW-UHFFFAOYSA-N 392.503 3.384 10 1 GGCF COc1ccc(N[C@@H]2[C@@H]3C(=O)C(=O)c4ccccc4[C@H]3OC2(C)C)c([N+](=O)[O-])c1 299811021 LPJIUFZAZCYEPO-NSISKUIASA-N 396.399 3.316 10 1 GGCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)c([N+](=O)[O-])c1 587575273 ILJWSKVQVSGCRL-OXQOHEQNSA-N 395.323 3.415 10 1 GGCF COc1ccc([C@@H]2CC(=O)c3c(cc(O)c([C@H]4CCCCN4)c3O)O2)cc1O 1772650616 ZHNNCVISWRKVOG-PXAZEXFGSA-N 385.416 3.333 10 1 GGCF CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(N(C)C)nc4)s3)[nH]nc21 653819594 FTAUDSQNIOMSIZ-UHFFFAOYSA-N 380.477 3.386 10 1 GGCF COc1cc(/C=C/c2nc3c(F)cnc(Br)c3[nH]2)cc(O)c1O 587785280 KELTWLSLDZCTNO-NSCUHMNNSA-N 380.173 3.450 10 1 GGCF CC(=CCc1c(O)c(O)cc2c1OC[C@@H]1c3cc4c(cc3O[C@@H]21)COC4)CO 2356390658 BZTOCIGDCPTQOF-VGSWGCGISA-N 382.412 3.219 10 1 GGCF Cn1nnc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1C(F)F 587128740 PEOMVSASDHWAJP-UHFFFAOYSA-N 379.326 3.071 10 1 GGCF CC(C)n1cnc2c(NCc3ccccc3O)nc(N[C@H]3CC[C@H](N)CC3)nc21 299857236 DYTHURPYDOWAFQ-WKILWMFISA-N 395.511 3.407 10 1 GGCF C[C@H](NC(=O)N(C)C)c1ccc(OC2CN(c3ccc4c(c3)OCCO4)C2)cc1 142278883 PAPCETXLWSLFHT-HNNXBMFYSA-N 397.475 3.058 10 1 GGCF C[C@H](CC(=O)N(C)C)c1ccc(OC2CN(c3ccc4c(c3)OCCO4)C2)cc1 96172866 LPBMWDVDYYZAJQ-MRXNPFEDSA-N 396.487 3.307 10 1 GGCF CCOC(=O)C1=Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)OCC 95596950 CVTGJGPFINWYLN-WOJBJXKFSA-N 398.411 3.075 10 1 GGCF O=C1c2c(O)cc3oc4cc(O)c(O)cc4c3c2O[C@H]1Cc1ccc(O)c(O)c1 1857637995 RYCAMFFVHPVRID-KRWDZBQOSA-N 394.335 3.300 10 1 GGCF Cc1ccc(C)n1-c1cc(C(=O)NCCc2ccc(O)c(O)c2)ccc1C(=O)O 219898724 VJDSJBWIBQGYGP-UHFFFAOYSA-N 394.427 3.176 10 1 GGCF CCO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23C[C@H](O)CC(C)(C)[C@H]2[C@H]1OC3=O 2356435018 NYXQGVNPFGAHMA-XSBOLZNKSA-N 390.476 3.273 10 1 GGCF CN(C)CCNC(=O)c1cccc2c(NCCN=[N+]=[N-])c3ccccc3nc12 45260384 XYBDMPIMAHDKPZ-UHFFFAOYSA-N 377.452 3.402 10 1 GGCF C[C@H]1COC[C@@H](C)N1Cc1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 72141363 OVOBYSFTQOKZSJ-BETUJISGSA-N 397.427 3.186 10 1 GGCF CN1C(=O)C[C@H]2CN[C@@](c3ccccc3)(c3ccc(O)cc3O)c3cccc1c32 963032641 SCTIOAOZNOWKLW-OWJWWREXSA-N 386.451 3.443 10 1 GGCF CN(CCc1ccccn1)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 95590582 CKQYWAVVPBULPZ-UHFFFAOYSA-N 396.450 3.408 10 1 GGCF Cc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1Br 586947929 ACSZVBRBKFEACE-UHFFFAOYSA-N 396.266 3.378 10 1 GGCF COC(=O)COc1ccc(C2=NC(=O)/C(=C/c3ccc(OC)cc3)S2)cc1 71318058 HCIAIPCMYHDJDP-BOPFTXTBSA-N 383.425 3.308 10 1 GGCF Cc1ccc(O)c([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1 962625839 DAUAACIDGPCXHD-SCLBCKFNSA-N 381.350 3.462 10 1 GGCF COc1ccccc1OC[C@@H]1SCCN1C(=O)/C=C/c1ccc(O)c(O)c1 27625433 CBNIRCSLDOFYEF-JCOOBLOPSA-N 387.457 3.100 10 1 GGCF CN(C)CCNC(=O)c1cccc2c(N)c3ccc(Br)cc3nc12 31977051 HBKKAYCZISIMFL-UHFFFAOYSA-N 387.281 3.024 10 1 GGCF in-vitro O=c1cc(CNCc2cccc(Br)c2)oc2ccc(O)c(O)c12 71341369 WLWBQGOWQILXDT-UHFFFAOYSA-N 376.206 3.257 10 1 GGCF Cn1cc(/C=C2\C(=O)NN=C2c2nccs2)c2c(Br)cccc21 28572239 RJHODMFMHFNXKL-YFHOEESVSA-N 387.262 3.315 10 1 GGCF CCn1cc2c3c(cccc31)[C@H]1C[C@H](NC(=O)n3nc(C)cc3C)CN(C)[C@@H]1C2 4214512 ZSJNNQSQILSGMP-FBBABVLZSA-N 391.519 3.445 10 1 GGCF in-man CN(C)Cc1cc(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)ccc1O 29342803 YNVJVHHYTUTYNU-UHFFFAOYSA-N 398.242 3.455 10 1 GGCF O=C(O)c1ccc(O)c(N(Cc2ccccc2O)Cc2cc(O)ccc2O)c1 40420583 IENGQPNLBXZBOJ-UHFFFAOYSA-N 381.384 3.414 10 1 GGCF biogenic COC[C@@]1(c2ccc(O)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587796663 UGQARMPGSCJAMW-MGNBDDOMSA-N 396.256 3.424 10 1 GGCF CN1CCOc2cc([C@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc21 962976379 ZQOXULBWYZGDGB-FZKQIMNGSA-N 394.805 3.135 10 1 GGCF COc1ccc(O)c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 103266474 BHCWYALTHAQWOQ-UHFFFAOYSA-N 391.474 3.270 10 1 GGCF N[C@@H](Cc1ccccc1)C(=O)Nc1csc2c1C(=O)c1ccccc1C2=O 72104728 FTOMGXJBJHGFKM-HNNXBMFYSA-N 376.437 3.032 10 1 GGCF Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@H](c3ccccc3)C2)c(C)c1Cl 299859083 HLAAHYJBAQWWJY-AWEZNQCLSA-N 379.869 3.017 10 1 GGCF O=C(CN1CCOCC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O 299870141 VXFNCDGWFBSSJX-LJQANCHMSA-N 399.878 3.056 10 1 GGCF CCOc1ccc(C(=O)C(=O)C(=O)c2ccc(OCC)c(OC)c2)c(OC)c1 2356347462 RYFNMCMTWJYYSY-UHFFFAOYSA-N 386.400 3.136 10 1 GGCF COc1c(O)c(O)cc2c1C=C[C@@H]1[C@@H]2O[C@@H](CCc2ccc(O)cc2)C[C@H]1O 85596409 MRAZKNYBEBHXTG-USOFNBIVSA-N 384.428 3.279 10 1 GGCF biogenic,in-vitro COc1ccc([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c(O)c1 962662889 JBLDOUUWOFEVPS-GOTSBHOMSA-N 392.455 3.311 10 1 GGCF NC[C@@H]1O[C@@H](c2ccc(I)cc2)Cc2c1ccc(O)c2O 26575639 IFTXVACPDRUAPN-CABCVRRESA-N 397.212 3.016 10 1 GGCF COCCN1CCC[C@@]2(CCN(C3CCN(c4ccc(OC)cc4)CC3)C2)C1 12305947 ZRKBAWRFZBWEOF-HSZRJFAPSA-N 387.568 3.098 10 1 GGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(Br)cc3[nH]2)c1 586948608 KASPUUSGFRDUOX-UHFFFAOYSA-N 382.239 3.070 10 1 GGCF C/C=C(\C)C(=O)O[C@H]1C2=C(C)[C@@H](OC)O[C@@]2(OC)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 15159851 MEKWGZJWKCYLQM-HVGNKZGASA-N 394.508 3.343 10 1 GGCF endogenous,in-man O=S(=O)(c1ccccc1)N1CCc2cc(N3CCN(C4CCC4)CC3)ccc21 1857576733 FTLMEDJIWYEYEA-UHFFFAOYSA-N 397.544 3.113 10 1 GGCF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cc(C)ccc3O)CC2)C1=O 473107777 KRNIRZRFHWBFQT-UHFFFAOYSA-N 387.524 3.365 10 1 GGCF C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C=O)c1[C@H](OC(C)C)O2 28652546 BNFPYGWOFGPTQR-RRFGBZISSA-N 388.372 3.388 10 1 GGCF in-vitro CCCn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@H](C)[C@H](C)O)CN(C)[C@@H]1C2 253634154 POHMGMFALGPTQS-XSLRHLANSA-N 384.520 3.324 10 1 GGCF CC(C)(C)n1nnnc1[C@@H](c1cc(F)ccc1O)N1CCc2ccccc2C1 1772622051 INUCCZLYPXNWDV-LJQANCHMSA-N 381.455 3.421 10 1 GGCF Cc1ccccc1N1CCN(C[C@@H](O)c2ccc(O)c(C3N=NN=N3)c2)CC1 26990329 MQUYKGXEWDSJTO-LJQANCHMSA-N 380.452 3.388 10 1 GGCF COC(=O)[C@]12CCCC(C)(C)[C@H]1C(=O)[C@H](O)c1cc(C(C)C)c(O)c(O)c12 2356598057 DEWFEGAYVMERFF-FPDPHYFHSA-N 376.449 3.074 10 1 GGCF CCOC(=O)N1CCC(N(Cc2cc(Cl)ccc2O)C(=O)N(C)C)CC1 40917169 UCKWAVOHMUTRJE-UHFFFAOYSA-N 383.876 3.150 10 1 GGCF COc1ccc2[nH]c(CN3CCc4ccc(N)cc43)c(CCNC(C)=O)c2c1 40380645 GCEPARAASJJCET-UHFFFAOYSA-N 378.476 3.000 10 1 GGCF COc1cc2c(O)c3c(c(-c4cc(O)c(O)c(OC)c4)c2cc1O)C(=O)OC3 14435093 AHCWQMYLMQJEKW-UHFFFAOYSA-N 384.340 3.017 10 1 GGCF biogenic Cc1ccc(NC(=O)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2N=N)cc1C 105472570 PJBMAGIDIGOEOY-QZTJIDSGSA-N 378.432 3.448 10 1 GGCF COC(=O)C(=O)c1c(-c2ccc(N3CCOCC3)cc2)[nH]c2cccc(F)c12 587636836 KZPUXGDLZKGQKK-UHFFFAOYSA-N 382.391 3.166 10 1 GGCF CCCCn1c(N=Nc2c(O)[nH]c3ccccc23)nc2c1c(O)nc(=O)n2C 617980747 LSPWADWWUZLAKQ-UHFFFAOYSA-N 381.396 3.238 10 1 GGCF COc1ccccc1/C=C1\C(=O)N(C(=O)c2ccc(NC(C)=O)cc2)N=C1C 5842900 JUSCYCOZZBMGHS-PDGQHHTCSA-N 377.400 3.096 10 1 GGCF CCNC(=O)Oc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@H]1N2C 169341032 SFIBKJIWAVKWLQ-FQEVSTJZSA-N 390.443 3.423 10 1 GGCF COc1ccc(N2CCN(CC[C@H](OC(N)=O)c3ccc(F)cc3)CC2)cc1 95573694 TXOBTNWPMYRKAE-FQEVSTJZSA-N 387.455 3.183 10 1 GGCF CCCc1c(C(=O)OC)c(OC)cc2c1C(=O)c1c(OC(C)=O)cccc1C2=O 35088074 LSNPYFXBUDQLRC-UHFFFAOYSA-N 396.395 3.135 10 1 GGCF biogenic CCCc1cc2c(c(OC)c1C(=O)OC)C(=O)c1c(OC)cc(OC)cc1C2=O 238769360 XMZWWXAWJIVINP-UHFFFAOYSA-N 398.411 3.227 10 1 GGCF COc1ccc2c(c1)cc1n2CCN2C(=O)c3cc(OC)c(OC)cc3N(C)[C@@H]12 1857567549 GDKDHSLWVJXIRQ-OAQYLSRUSA-N 393.443 3.272 10 1 GGCF CCOC(=O)c1cc2cc(O)c(O)cc2c(-c2ccc(O)c(O)c2)c1C(=O)O 2356522481 IPZQZZLEYPGZHK-UHFFFAOYSA-N 384.340 3.204 10 1 GGCF O=C(Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1)c1ccc(O)cc1 1911579255 ROOGWWVPSBAVBN-UHFFFAOYSA-N 380.356 3.014 10 1 GGCF COc1ccc(CN2C[C@H]3CN(Cc4ccccc4O)CCN3C(C)(C)C2)cc1 2356303081 LHUWQALULPRBPW-OAQYLSRUSA-N 395.547 3.181 10 1 GGCF O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(O)c(-c2ccccc2O)c1 40950938 XEEQFIZLJXQIDE-UHFFFAOYSA-N 386.385 3.474 10 1 GGCF O=C1c2ccccc2-c2c1c1ccc(F)cc1c(=O)n2CCCN1CCOCC1 473171687 UZMJJCYOJMNTGR-UHFFFAOYSA-N 392.430 3.074 10 1 GGCF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc(F)cc(F)c2O)N1 962972019 TVVIKPZLLQGSJP-SMDDNHRTSA-N 375.705 3.290 10 1 GGCF CCCCO[C@@H](c1ccc(O)c(O)c1)[C@@H](O)CCC(=O)c1ccc(O)c(O)c1 2356670173 CGFWUMHPCIBEFX-RXVVDRJESA-N 390.432 3.391 10 1 GGCF COc1cc(O)c([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1Cl 963221956 GEZIVRLKORVMFJ-APWZRJJASA-N 384.819 3.291 10 1 GGCF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)o1 103291335 JIQRGZXCWCRMHD-UHFFFAOYSA-N 391.427 3.341 10 1 GGCF COc1cc(C(C)=O)cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)c1O 66074091 RRXYLJQPSNGXFU-UHFFFAOYSA-N 382.460 3.128 10 1 GGCF COc1cccc(O)c1CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 103266483 ZTGLAXPMCHUQAL-UHFFFAOYSA-N 391.474 3.270 10 1 GGCF NS(=O)(=O)c1cc(C(=O)N=Nc2c(O)[nH]c3ccccc23)ccc1Cl 299812986 JXLDVHNKWRLKEQ-UHFFFAOYSA-N 378.797 3.098 10 1 GGCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc4c(c3F)OCO4)C2)cc1 1772649016 KQBXZIRSTFYWLH-GUYCJALGSA-N 386.423 3.409 10 1 GGCF O=C(Cc1cc(NCc2cc(O)ccc2O)ccc1O)NOCc1ccccc1 13735390 NYVYOBPBOHULAP-UHFFFAOYSA-N 394.427 3.206 10 1 GGCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1O 103266507 MAHHNZSNKYONTR-UHFFFAOYSA-N 389.433 3.110 10 1 GGCF COc1ccc(C(=O)C(=O)c2ccccc2C(=O)N2CCCCC2)cc1OC 26184564 DZXKKBARAZHPDC-UHFFFAOYSA-N 381.428 3.396 10 1 GGCF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(O)cc1)(c1ccc(O)c(O)c1O)O2 587404117 NJEKBZQQBVDIKA-JOCHJYFZSA-N 393.395 3.309 10 1 GGCF COc1ccc(N2CCN(C[C@@H](O)c3ccc(Br)cc3)CC2)cc1 103464873 VILWGGMKHQCIJJ-LJQANCHMSA-N 391.309 3.313 10 1 GGCF CN1CCOc2cc([C@@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc21 962976375 ZQOXULBWYZGDGB-ACJLOTCBSA-N 394.805 3.135 10 1 GGCF CCc1ccc2c(C(C)=O)c3c(n2c1)C(=O)c1cc(C(=O)OC)sc1C3=O 84690449 HECXYMXODRRKCI-UHFFFAOYSA-N 381.409 3.328 10 1 GGCF CC(C)=C(CO)C[C@@]12O[C@]1(C(=O)OC1CCCCC1)C(=O)c1ccccc1C2=O 85592760 OEHZIHMQTHMCMM-GOTSBHOMSA-N 398.455 3.168 10 1 GGCF biogenic,in-vitro Nc1ccc(Oc2ccc3[nH]c(-c4ccc(CS(N)(=O)=O)cc4)nc3c2)cc1 586930882 UXSFAVSQZHZYAU-UHFFFAOYSA-N 394.456 3.393 10 1 GGCF COC(=O)C(=O)C[C@@]1(c2ccccc2O)c2cc(OC)ccc2CCN1C(C)C 962085367 AAKCJMIKKYMPME-HSZRJFAPSA-N 397.471 3.043 10 1 GGCF C[C@@H]1[C@@H]2C=C[C@@H]1[C@@H](c1c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc13)[C@@H]2C(=O)O 169370928 BSAMRWOMXJWVCE-BFZURIOKSA-N 394.379 3.251 10 1 GGCF O=C(Nc1nnc(Sc2ncc([N+](=O)[O-])s2)s1)c1ccc(F)cc1 40395527 ZJEVWLAYMWZYNB-UHFFFAOYSA-N 383.411 3.445 10 1 GGCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(O)c(O)c21 587403311 GDWMLMUDBVZXDO-QHCPKHFHSA-N 387.391 3.442 10 1 GGCF O=C(O)[C@@H](C(=O)C(=O)[C@H](C(=O)O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1616410 ZXNIDWWQGOKFMH-ZIAGYGMSSA-N 395.194 3.168 10 1 GGCF Cc1ccc(C(=O)NCCCC[C@@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27715155 OCXYFOOXDLXCHJ-IERDGZPVSA-N 386.492 3.018 10 1 GGCF CCOC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 13496218 QQKRCQSFGQFOBF-RGEXLXHISA-N 377.444 3.492 10 3 GGCF CCCCOC(=O)c1cc(=O)c(O)c2c(O)c(O)c(Br)cc2c1 1857581313 YICQAWJXBNRZOC-UHFFFAOYSA-N 383.194 3.036 10 1 GGCF CCOC(=O)c1c2c(n3cc(C)ccc13)C(=O)c1cc(C(=O)OC)sc1C2=O 84711336 RVTRKWSFNMRVNE-UHFFFAOYSA-N 397.408 3.048 10 1 GGCF COC(=O)[C@H](C)CCC[C@H](C)[C@@H]1c2cc(C(=O)O)c(O)c(O)c2[C@H](C)C[C@H]1O 2356850833 QAXGJLBRJMSWEY-NTFKUYOJSA-N 394.464 3.363 10 1 GGCF C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(N2CC[C@H](O)C2)cc1 1857600468 XRONVZDGBNUMSQ-UZLBHIALSA-N 390.487 3.149 10 1 GGCF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)c(O)c4)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356335737 DWZZUSPCPXZLJI-NFEJTJDPSA-N 382.456 3.107 10 1 GGCF CC1=NC(=O)N[C@@H](c2ccc(N3CCOCC3)cc2)[C@H]1C(=O)c1ccccc1 169693163 IYKKIDZEHLHHSI-PMACEKPBSA-N 377.444 3.248 10 1 GGCF CCOP(=O)(OCC)c1c2c(n(C3CC3)c1O)C(=O)c1ccccc1C2=O 1857560745 SMUFHFQTNOSMIV-UHFFFAOYSA-N 389.344 3.195 10 1 GGCF COc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccc(N2CCOCC2)cc1 169723256 ZOZQHLLNZJKZDD-XTQSDGFTSA-N 380.408 3.026 10 1 GGCF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587202304 CDTUYIVFCKPGBD-SFHVURJKSA-N 395.463 3.016 10 1 GGCF COc1ccc(N2CCN(CC[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 29480323 YNZLMHORCYOAMN-LJQANCHMSA-N 390.911 3.301 10 1 GGCF O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1ccccc1 6095836 KYOUXLCBBPBCLD-LEWJYISDSA-N 394.379 3.411 10 1 GGCF biogenic COc1ccc(N2CCN(C(=O)CNc3ccc(C(C)=O)cc3)C[C@H]2C)cc1 144828607 MNVSSQNKSRVGGR-MRXNPFEDSA-N 381.476 3.047 10 1 GGCF COc1ccccc1N1CCN(CCNC(=O)/N=N/c2ccc(F)cc2)CC1 1857562969 OTKMHDVPFOECAQ-WCWDXBQESA-N 385.443 3.450 10 1 GGCF CC[C@@H](C)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 3978898 HXAZTNIVBVVFJS-SNVBAGLBSA-N 378.380 3.280 10 1 GGCF biogenic,in-vitro O=C1c2ccccc2-c2c1c1ccc(Br)cc1c(=O)n2CCCO 95582235 ZNMCUTNRNBMJJO-UHFFFAOYSA-N 384.229 3.358 10 1 GGCF COc1ccc(/N=N/C(=C2/NCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])cc1 103218355 OVTOTQFZDRTYJX-ZOKPAGGWSA-N 388.815 3.336 10 1 GGCF Oc1ccc(C=CO[C@H]2[C@@H](O)CC[C@H]2OC=Cc2ccc(O)c(O)c2)cc1O 2356394773 HQXMJYFFQYYWMB-WMQCIHAUSA-N 386.400 3.076 10 1 GGCF CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(C(C)(F)F)cc2)cc1 1857558831 ONCHXAWTSNSNIY-UXHICEINSA-N 387.474 3.484 10 1 GGCF C[C@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)NCCc2ccc(O)cc21 963353799 TZONCNVCQIWHNE-FOHILQBSSA-N 376.456 3.340 10 1 GGCF O=C(O)CN1C(=O)/C(=C/c2cc(-c3ccc(Cl)cc3)n[nH]2)SC1=S 62233357 XSFCJSHSSJVHEZ-SDQBBNPISA-N 379.850 3.016 10 1 GGCF CN(C)CCCNCc1cc(I)cc(C(C)(C)C)c1O 28237388 YOTRLFYMSOMZAA-UHFFFAOYSA-N 390.309 3.336 10 1 GGCF Oc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 100369903 GEDPQKGMHLHFOZ-PHIMTYICSA-N 379.092 3.310 10 1 GGCF in-man CN1Cc2c(C3=CCCN(CC(=O)O)C3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772654485 LIGGJWGBNCKOQH-UHFFFAOYSA-N 392.434 3.493 10 1 GGCF CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN)c2)c2ccccc12 29331819 RUPLBVWDDKWXPW-UHFFFAOYSA-N 379.412 3.177 10 1 GGCF CN1CCOc2cc([C@@H]3N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc21 962976383 ZQOXULBWYZGDGB-UGSOOPFHSA-N 394.805 3.135 10 1 GGCF CCCC(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl 49114066 NNPPCROKHWSYCR-UHFFFAOYSA-N 389.769 3.332 10 1 GGCF NC(=O)Nc1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587242694 XPMNHRPIZPSKKL-UHFFFAOYSA-N 382.379 3.496 10 1 GGCF COC(=O)[C@H]1C[C@H]2c3c([nH]c4ccccc34)C[C@@H](C1=O)N2Cc1ccccc1O 71329125 FMBXXQLSMYIJSI-SNRMKQJTSA-N 390.439 3.104 10 1 GGCF Nc1ccc(Oc2ccc3nc(CSc4nc(O)cc(O)n4)[nH]c3c2)cc1 586966170 AEGIOSWGMQIWSE-UHFFFAOYSA-N 381.417 3.431 10 1 GGCF c1cc(N2CCCC2)ccc1[C@H](c1nnnn1C1CCCCC1)N1CCOCC1 19332658 FHSDHYWTCZJBET-OAQYLSRUSA-N 396.539 3.200 10 3 GGCF COc1cccc2cc3c(nc12)[C@@H](c1ccc(N(C)C)cc1[N+](=O)[O-])NCC3 963065092 JIZIYHWDFYRWJW-OAQYLSRUSA-N 378.432 3.453 10 1 GGCF CC(C)n1cnc2c(NCc3ccccc3O)nc(NCCC(C)(C)O)nc21 95602155 IXTWXNBAVMLHDT-UHFFFAOYSA-N 384.484 3.298 10 1 GGCF O=C(O)Cc1cccc(-c2ccccc2NC(=O)Cc2cc(O)c(O)c(O)c2)c1 35274440 GECTXBKUTWTTMG-UHFFFAOYSA-N 393.395 3.279 10 1 GGCF Cc1ccccc1NC1=NC(=O)/C(=C\c2ccc(N3CCNCC3)cc2)S1 299862223 JKQCRKWXLUSWCB-XMHGGMMESA-N 378.501 3.487 10 1 GGCF COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 13661943 RYNSFZVUENDLBC-KSMMKXTCSA-N 393.395 3.231 10 1 GGCF C/C=C(\C)C(=O)O[C@H]1C2=C(C)[C@H](OC)O[C@]2(OC)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 15159852 MEKWGZJWKCYLQM-JZEVMLSASA-N 394.508 3.343 10 1 GGCF endogenous,in-man CCOC(=O)c1c(C(=O)O)cc2cc(O)c(O)cc2c1-c1ccc(O)c(O)c1 2356713872 UXYBOKFGDGNVEZ-UHFFFAOYSA-N 384.340 3.204 10 1 GGCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 169690291 RREYRSQFRXAEIL-YIKOMLBNSA-N 389.473 3.265 10 1 GGCF O=C(O)C[C@H]1CCN(Cc2ccccc2O)C[C@H]1Cc1nc2ccccc2[nH]1 2356457337 MTAHIUUTXKNSNS-NVXWUHKLSA-N 379.460 3.424 10 1 GGCF O=[N+]([O-])c1cc(-c2nc(-c3ccc(Br)cc3)no2)cc(O)c1O 49112232 JRQSGZQZNPBNIE-UHFFFAOYSA-N 378.138 3.486 10 1 GGCF CC[C@H](CO)Nc1nc(NCc2cccc(C)c2O)c2ncn(C(C)C)c2n1 223821195 VYAPUWFJJSKFIN-OAHLLOKOSA-N 384.484 3.216 10 1 GGCF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)[C@@H](OC)O[C@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C 85691300 MEKWGZJWKCYLQM-MBYWVCIRSA-N 394.508 3.343 10 1 GGCF in-man O=C(NCCc1ccc(O)cc1)c1cc(NCc2cc(O)ccc2O)ccc1O 13861843 FKYBIYIHNUMLLQ-UHFFFAOYSA-N 394.427 3.094 10 1 GGCF Oc1ccc([C@H]2Oc3c(c(O)cc4oc5cc(O)c(O)cc5c34)C[C@H]2O)cc1O 2356571886 HZIPWFRHYVQIAX-OXQOHEQNSA-N 396.351 3.151 10 1 GGCF COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@@H](c1cc(Cl)ccc1O)N(C)C2=O 4563690 LMJLPWMWAXDCHO-IAGOWNOFSA-N 391.807 3.058 10 1 GGCF COc1c2c(cc(O)c1C(=O)C(=O)c1ccc3c(c1)OCO3)OC(C)(C)C=C2 13484920 HVBXVOVFGPCWDF-UHFFFAOYSA-N 382.368 3.379 10 1 GGCF biogenic Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccncc1)C2 29132842 GPEVEXJTBVDKQO-UHFFFAOYSA-N 398.315 3.275 10 1 GGCF COc1ccc(OC)c([C@]2(C)NCCc3cc4cccc(OC)c4nc32)c1O 963040329 WGPHYXTZMXKOOL-QFIPXVFZSA-N 380.444 3.375 10 1 GGCF CCn1cc2c3c(cccc31)[C@@H]1C[C@@H](NC(=O)n3nc(C)cc3C)CN(C)[C@@H]1C2 5317406 ZSJNNQSQILSGMP-SLYNCCJLSA-N 391.519 3.445 10 1 GGCF biogenic,in-man O=C1Nc2ccccc2/C1=C1/SC(=S)N(Cc2nc3ccccc3[nH]2)C1=O 103194667 PMZJSSJGFOAQTC-NXVVXOECSA-N 392.465 3.287 10 1 GGCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc([N+](=O)[O-])ccc2N(C)[C@H]31 95554220 LXQSWPMPXKBXCA-IBGZPJMESA-N 378.388 3.232 10 1 GGCF COC1CCC(C(=O)N[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3N(C)C2)CC1 27725887 GCDWKQCGUPMGBR-SZHHJSSISA-N 395.547 3.212 10 1 GGCF CCOC(=O)c1cc(C)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1C 587924579 DHXFTCWYXIDIGX-MRXNPFEDSA-N 387.432 3.225 10 1 GGCF COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1ccccc1C3=O 28572376 MDJMZUNJPZVUIG-UHFFFAOYSA-N 392.455 3.182 10 1 GGCF COC(=O)c1cc2c(s1)C(=O)c1c(C(C)=O)c3ccc(Cl)cn3c1C2=O 84711328 ASGVQFCAILCDAS-UHFFFAOYSA-N 387.800 3.419 10 1 GGCF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C)n(C)c(=O)c2)nc1 209439496 SJRFJTHQLPKLNN-AEFFLSMTSA-N 392.459 3.045 10 1 GGCF Oc1ccc(CNC2(c3ccccc3F)CCCC2)cc1CN1CCNCC1 473111468 ZQLZYCXUQYDJAI-UHFFFAOYSA-N 383.511 3.496 10 1 GGCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4c([N+](=O)[O-])cc([N+](=O)[O-])cc34)[C@@H]21 95555630 MNEKLQPLEVYQNS-GOSISDBHSA-N 393.359 3.131 10 1 GGCF COc1cc(CC[C@H]2C[C@H](O)C[C@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 13340616 YYPVGAJJYQQFMX-RLFYNMQTSA-N 390.432 3.034 10 1 GGCF in-man CC1=NC(=O)N[C@H](c2ccc(N3CCOCC3)cc2)[C@@H]1C(=O)c1ccccc1 169693162 IYKKIDZEHLHHSI-WOJBJXKFSA-N 377.444 3.248 10 1 GGCF COc1cccc(-c2[nH]nc3nc(-c4ccc(O)c(O)c4)cc(C(=O)O)c23)c1 20850219 BEYZMIYQIDMLHU-UHFFFAOYSA-N 377.356 3.410 10 1 GGCF O=S(=O)(Nc1cn(C2CC2)cn1)c1cc(Br)cc(Cl)c1O 1911577058 YEVKDDIKGMTEBP-UHFFFAOYSA-N 392.662 3.140 10 1 GGCF [N-]=[N+]=N[C@H]1CO[C@@H](c2ccccc2)O[C@H]1[C@@H]1O[C@H](c2ccccc2)OC[C@H]1O 2178319896 HVZBZDIZYYPXCP-RFVXBFLTSA-N 383.404 3.255 10 1 GGCF CC(=O)[C@H](Nc1c(O)cc(O)c(O)c1C[C@@H]1CCC[C@@H]2CCCC[C@H]21)C(=O)O 169717714 KNYBSGZAAJFNFA-FLTUCWPJSA-N 391.464 3.407 10 1 GGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(SCC(=O)N3CCCC3)[nH]c21 103264540 BKLMQTZUNSFEFL-UHFFFAOYSA-N 391.452 3.053 10 1 GGCF NC1=N[C@](c2ccncc2)(c2cc(-c3cncnc3)ccc2O)c2cccc(F)c21 299851164 AHLSMWMHWYXLKD-QHCPKHFHSA-N 397.413 3.394 10 1 GGCF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)c(O)c4)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356335741 DWZZUSPCPXZLJI-USVKSNBESA-N 382.456 3.107 10 1 GGCF COc1ccc(C2=C(CCC(=O)O)[C@H](c3ccccc3O)NC(=S)N2)cc1 58502191 ISXHAXIEYYTNQH-IBGZPJMESA-N 384.457 3.196 10 1 GGCF O=C(c1ccc([N+](=O)[O-])o1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71294535 HLSXAUPSRRLUKO-OAHLLOKOSA-N 378.344 3.280 10 1 GGCF Oc1ccc(/C=C\O[C@@H]2CC[C@H](O)[C@H]2O/C=C\c2ccc(O)c(O)c2)cc1O 238787841 HQXMJYFFQYYWMB-CNZCXMRQSA-N 386.400 3.076 10 1 GGCF Oc1ccc(/C=C\O[C@@H]2CC[C@H](O)[C@H]2O/C=C/c2ccc(O)c(O)c2)cc1O 238787844 HQXMJYFFQYYWMB-APSTVOMFSA-N 386.400 3.076 10 1 GGCF COc1cc2c(c(O)c1OC)[C@@H]1Cc3ccc(OC)c(OC)c3C[N+]1(C)CC2 13383096 DAXMITCMDCXYBO-GZWBLTSWSA-O 386.468 3.227 10 1 GGCF CCCn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 40374071 POHMGMFALGPTQS-QYYLXQLASA-N 384.520 3.324 10 1 GGCF Oc1nc(CSC(=S)NCc2ccc3c(c2)OCO3)nc2ccccc12 653701045 HMWISYYSMFIGHV-UHFFFAOYSA-N 385.470 3.372 10 1 GGCF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc(F)cc(F)c2O)N1 962972015 TVVIKPZLLQGSJP-RISCZKNCSA-N 375.705 3.290 10 1 GGCF O=C(N=NC(=O)c1ccc2c(O)n(C[C@@H]3CCCO3)c(O)c2c1)c1cccnc1 1779684473 VWDPZLFPYZBLKP-AWEZNQCLSA-N 394.387 3.059 10 1 GGCF CCCN(CCO)/N=N/c1cc(-c2c(N)nc(N)nc2CC)ccc1Cl 18114252 AEVLLPRBICIXHW-WCWDXBQESA-N 377.880 3.227 10 1 GGCF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3c(F)ccc(F)c3O)N12 962663983 KHJOXXWEAHADIJ-UWJYYQICSA-N 384.382 3.407 10 1 GGCF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2C)nc1 209442468 GWASGTGOMPOBAD-AEFFLSMTSA-N 376.460 3.345 10 1 GGCF Cc1c2c(c([C@@H](C)O)n1-c1ccc(C(=O)O)cc1)C(=O)c1cccc(O)c1C2=O 2356341082 FYNQLFVJVIXADL-LLVKDONJSA-N 391.379 3.018 10 1 GGCF COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@H](c1cc(Cl)ccc1O)N(C)C2=O 4563691 LMJLPWMWAXDCHO-SJORKVTESA-N 391.807 3.058 10 1 GGCF CNc1c(Br)cnc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc12 84618010 SCRGZHVPJJQKLF-UHFFFAOYSA-N 388.269 3.266 10 1 GGCF Cc1cc2c(c3oc([C@H](C)[C@@H](C)O)cc(=O)c13)C(=O)c1c(O)cccc1C2=O 13369481 ONHCPBOKJBCMAX-GHMZBOCLSA-N 378.380 3.067 10 1 GGCF biogenic COc1cc2c(cc1OC)[C@H](C(=O)O)[C@@H](c1cc(Cl)ccc1O)N(C)C2=O 4563693 LMJLPWMWAXDCHO-DLBZAZTESA-N 391.807 3.058 10 1 GGCF CCO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23C[C@@H](O)CC(C)(C)[C@@H]2[C@H]1OC3=O 2356435017 NYXQGVNPFGAHMA-NGSWRUDFSA-N 390.476 3.273 10 1 GGCF COc1ccc(N2CCN(CCCNC(=O)CCc3cccc(F)c3)CC2)cc1 24617590 SYPZTJPNPUHYFZ-UHFFFAOYSA-N 399.510 3.095 10 3 GGCF O=C(NOCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O 13735407 GCBUSZUGMOSKEG-UHFFFAOYSA-N 380.400 3.277 10 1 GGCF O=C(CCc1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)N1CCOCC1 1857655913 GAYHIFKOBRDOCL-UHFFFAOYSA-N 383.400 3.008 10 1 GGCF NCCCN1CCN(CCCNc2c3ccccc3nc3ccccc23)CC1 29252137 QDPIRYWQENTSOR-UHFFFAOYSA-N 377.536 3.156 10 1 GGCF COc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCCC2)c1 40563865 NZWMKFMMMKKVPV-UHFFFAOYSA-N 378.432 3.192 10 1 GGCF CCc1ccc(/C=C2\SC(N[C@H](c3ccc(C)cc3)c3nn[nH]n3)=NC2=O)o1 28816702 FIHVKFOFMIQUDI-DDITZMBXSA-N 394.460 3.013 10 1 GGCF Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1cccnc1)C2 29132778 KZKPJFMPQCKLGN-UHFFFAOYSA-N 398.315 3.275 10 1 GGCF CC(=O)c1ccc(N2CCN(Cc3c(O)ccc4ccc(=O)oc34)CC2)cc1 29063954 JRHZZJAZMHONLN-UHFFFAOYSA-N 378.428 3.023 10 1 GGCF C[C@H](/N=N/c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1)c1ccccc1 169686077 IZILBHQYAZKAKW-OWSVEQCWSA-N 388.431 3.317 10 1 GGCF O=S(=O)(c1ccccc1)N1Cc2ccc(N3CCN(C4CCC4)CC3)cc2C1 1857579839 BHNYEBDOPPCBKB-UHFFFAOYSA-N 397.544 3.066 10 1 GGCF COc1cc(C2(c3ccc(N)c(OC)c3)C(=O)c3ccccc3C2=O)ccc1N 98082475 CNMIXGCPYVWTSE-UHFFFAOYSA-N 388.423 3.234 10 1 GGCF C/C=C(\C)C(=O)O[C@H]1C2=C(C)[C@H](OC)O[C@@]2(OC)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 15159850 MEKWGZJWKCYLQM-FENYMKNRSA-N 394.508 3.343 10 1 GGCF endogenous,in-man COc1cc(O)c([C@H]2NCCc3c2c(C(C)C)nn3C)cc1Br 962917151 LKQWOUMPNAESHO-QGZVFWFLSA-N 380.286 3.255 10 1 GGCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc4c(c3)OCCO4)C2)cc1 1772640301 NRVASVSBQXQAMD-YWZLYKJASA-N 382.460 3.313 10 1 GGCF O=C1NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 40938355 NFOZRASZPHZWQR-RCCKNPSSSA-N 398.418 3.363 10 1 GGCF COc1cc2c(c(O)c1OC)[C@H]1Cc3ccc(OC)c(OC)c3C[N+]1([O-])CC2 13383095 HHYXOLOVKHVSIP-JGHKVMFLSA-N 387.432 3.095 10 1 GGCF Cc1ccc(NC(=O)OCCC[C@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27716663 HICVCONEMFCHKF-MGPUTAFESA-N 388.464 3.447 10 1 GGCF CC[C@H](CO)Nc1nc(NCc2cc(C)ccc2O)c2ncn(C(C)C)c2n1 223861264 KWXOHZOEEBOAEO-OAHLLOKOSA-N 384.484 3.216 10 1 GGCF COc1cc(OC)c(C(=O)c2cccc(Cl)c2)c(O)c1CN1CCOCC1 49112295 KLFRQQKLDHGYOA-UHFFFAOYSA-N 391.851 3.126 10 1 GGCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)c([N+](=O)[O-])c1 587575272 ILJWSKVQVSGCRL-OXJNMPFZSA-N 395.323 3.415 10 1 GGCF CC[C@H](C)NCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(OC)c(O)c1)O2 653689024 MXBQHERIUIZOGZ-VOJFVSQTSA-N 387.432 3.407 10 1 GGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)C2=[N+]=[N-])N1 587742953 BWZVLDJBWZTJHT-XLFHBGCDSA-N 380.261 3.378 10 1 GGCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)COC)cc3)C2)cc1 142282608 DNYMWTSCOOJURE-INIZCTEOSA-N 384.476 3.177 10 1 GGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(=N)[nH]c(Cl)c-3n1)[C@@H]1CC=C[C@H]21 587272225 QEOKPOKXZXYBFH-CWSCBRNRSA-N 397.826 3.414 10 1 GGCF CN(C)CCCn1c2c(n3ccnc3c1=O)Cc1c(-c3ccccn3)cccc1-2 299856577 CUMHQFZWSNROKE-UHFFFAOYSA-N 385.471 3.081 10 1 GGCF Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@@H](c3ccccc3)C2)c(C)c1Cl 299859084 HLAAHYJBAQWWJY-CQSZACIVSA-N 379.869 3.017 10 1 GGCF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc(F)cc(F)c2O)N1 962972011 TVVIKPZLLQGSJP-FZMZJTMJSA-N 375.705 3.290 10 1 GGCF Cc1cc(O)c2c(c1)CCc1c-2cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O 6070242 LWERGSAPTOUIHZ-UHFFFAOYSA-N 388.375 3.358 10 1 GGCF biogenic CNC[C@@]1(c2ccc(O)c(O)c2)c2ccsc2CCN1Cc1cccnc1 962999365 QSOIJXLZIZZCBK-OAQYLSRUSA-N 381.501 3.076 10 1 GGCF CCCCO[C@H](c1ccc(O)c(O)c1)[C@@H](O)CCC(=O)c1ccc(O)c(O)c1 2356670172 CGFWUMHPCIBEFX-GHTZIAJQSA-N 390.432 3.391 10 1 GGCF C=CC=C(C=C1C(=O)NN=C1c1c(O)c2ccccc2n(C)c1=O)C(Cl)=CC 2356875422 ZQARZXOMRWBROA-UHFFFAOYSA-N 395.846 3.259 10 1 GGCF O=C(c1nc2cc(O)c(O)cc2[nH]1)N1CCC(Oc2ccc(Cl)cc2)CC1 36294488 GCTZJYDGWSFXMI-UHFFFAOYSA-N 387.823 3.311 10 1 GGCF CN1CCN(Cc2cc(CNC3(c4ccccc4F)CCC3)ccc2O)CC1 473109498 SJPJCFWIOPRIML-UHFFFAOYSA-N 383.511 3.448 10 1 GGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)C2=[N+]=[N-])N1 587748419 WZRAPERPDNSRMO-XYZCENFISA-N 380.261 3.378 10 1 GGCF O=C1NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccc(Cl)cc23)C(=O)N1 45390023 HNZLUGAGZBQYFE-UHFFFAOYSA-N 379.803 3.092 10 1 GGCF C[C@H]1[C@@H]2C=C[C@@H]1[C@@H](c1c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc13)[C@@H]2C(=O)O 104370027 BSAMRWOMXJWVCE-PFHCTDQKSA-N 394.379 3.251 10 1 GGCF CN1C(=O)C[C@H]2CN[C@](c3ccccc3)(c3ccc(O)cc3O)c3cccc1c32 963032636 SCTIOAOZNOWKLW-IZHWHUGBSA-N 386.451 3.443 10 1 GGCF CN1CCN(c2ccc(/C=C3/SC(Nc4ccc(O)cc4)=NC3=O)cc2)CC1 299855207 AQTRPFKQUPAHMN-XMHGGMMESA-N 394.500 3.226 10 1 GGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CSc3cccc[n+]3[O-])[nH]c21 586969301 QBDJDDUGESIMCG-UHFFFAOYSA-N 387.420 3.264 10 1 GGCF CSc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1 98208542 BWOIOAFNMATNEP-GOSISDBHSA-N 398.532 3.154 10 1 GGCF in-vitro Cc1c(CC(=O)NCC2CC2)c2cc(Cl)ccc2n1CCN1CCOCC1 1857609679 JZZPFOUSUPLBJY-UHFFFAOYSA-N 389.927 3.004 10 1 GGCF COC[C@]1(c2ccc(O)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797886 YJAYRDVKXCKLLN-XTZNXHDOSA-N 396.256 3.424 10 1 GGCF COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccc(F)cc3)CC2)cc1 95573695 TXOBTNWPMYRKAE-HXUWFJFHSA-N 387.455 3.183 10 1 GGCF CCN(CC)CCNc1ccc2ncnc3c2c1C(=O)c1c(O)ccc(O)c1-3 27102950 RIUAHEIPZPATNO-UHFFFAOYSA-N 378.432 3.006 10 1 GGCF CC=C(C)C(=O)O[C@@H]1C2=C(C)[C@H](OC)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C 2356582540 MEKWGZJWKCYLQM-KKFUEQAVSA-N 394.508 3.343 10 1 GGCF CC=Cc1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C=O)c1[C@H](OC(C)C)O2 2356619331 BNFPYGWOFGPTQR-HXUWFJFHSA-N 388.372 3.388 10 1 GGCF Oc1ccc(/C=C/O[C@@H]2CC[C@H](O)[C@H]2O/C=C/c2ccc(O)c(O)c2)cc1O 238787845 HQXMJYFFQYYWMB-IYYCOEDOSA-N 386.400 3.076 10 1 GGCF Nc1cccc(C(=O)O)c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587249131 CHPWQKMCWIJKJK-UHFFFAOYSA-N 383.363 3.286 10 1 GGCF Oc1ccc([C@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1Br 27107179 RIOGXIDBSNULHA-LLVKDONJSA-N 384.657 3.497 10 1 GGCF NC(=O)Nc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587243078 DMNNJUJFYLSMDI-UHFFFAOYSA-N 382.379 3.496 10 1 GGCF NCc1ccc(CCOc2cccc(OS(=O)(=O)c3ccccc3)c2)cc1O 13864355 JRWXLHXRZVQFTJ-UHFFFAOYSA-N 399.468 3.240 10 1 GGCF COC(=O)/C=C/CSc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 103264529 FAANHZNPFQALTE-QPJJXVBHSA-N 378.409 3.160 10 1 GGCF COc1ccc(N2CCN(C(=O)CNc3ccc(C(C)=O)cc3)C[C@@H]2C)cc1 144828413 MNVSSQNKSRVGGR-INIZCTEOSA-N 381.476 3.047 10 1 GGCF COc1ccc(N2CCN(CCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)cc1 98082965 ONAGXNNVAPQSIR-UHFFFAOYSA-N 384.505 3.435 10 1 GGCF CN(CCO)c1ccc(-c2nc3c(I)cccc3[nH]2)cc1 587192833 GAXQZDFZBQEQGV-UHFFFAOYSA-N 393.228 3.263 10 1 GGCF C/C=C(\C)C(=O)O[C@H]1C2=C(C)[C@@H](OC)O[C@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C 85691301 MEKWGZJWKCYLQM-VEWOTTKZSA-N 394.508 3.343 10 1 GGCF in-man Cc1cc(Br)c2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2c1 586949242 RESXSHDTHZJQCD-UHFFFAOYSA-N 396.266 3.378 10 1 GGCF CCOc1ccc(OC(=O)CSc2nnc(-c3ccc(O)c(O)c3)o2)cc1 1857749528 AATACZKOPAGNPL-UHFFFAOYSA-N 388.401 3.244 10 1 GGCF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(N3CCCC3)c([N+](=O)[O-])c1)NCC2 962923468 HTVRNCNWQKRQRP-NRFANRHFSA-N 394.475 3.132 10 1 GGCF COc1cc(CC[C@@H]2C[C@H](O)C[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 15112361 YYPVGAJJYQQFMX-DAYGRLMNSA-N 390.432 3.034 10 1 GGCF endogenous,in-man COc1ccc([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(O)c1 962662881 JBLDOUUWOFEVPS-DHIUTWEWSA-N 392.455 3.311 10 1 GGCF OC(O)[C@]1(c2ccc(N3CCCCC3)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963112352 OZUZJHPONLVULP-QPPBQGQZSA-N 396.506 3.391 10 1 GGCF CN(C)CCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2 28572380 YCDQHUBKHGAHLN-UHFFFAOYSA-N 377.400 3.073 10 1 GGCF CN1CCN(C(=O)c2ccc3c(NCCN=[N+]=[N-])c4ccccc4nc3c2)CC1 45258980 XFRWQQIUHWUOOO-UHFFFAOYSA-N 389.463 3.498 10 1 GGCF CC(=O)c1ccc2c(c1)c1c3c(c4c(c1n2C)CCc1nn(C)cc1-4)C(=O)NC3 29125407 MNDLKOGKSGXXRF-UHFFFAOYSA-N 384.439 3.277 10 1 GGCF Nc1ccc(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)cc1 13799559 RUMZIRSAOXCPII-UHFFFAOYSA-N 376.416 3.343 10 1 GGCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 169690292 RREYRSQFRXAEIL-BAESOJJISA-N 389.473 3.265 10 1 GGCF COc1c(O)c(O)cc2c1CC[C@H]1[C@@H]2O[C@@H](CCc2ccc(O)cc2)C[C@H]1O 85596411 DRKGWZUFBNVGCW-QYDULMRYSA-N 386.444 3.198 10 1 GGCF biogenic,in-vitro O=C(Nc1ccnnc1)c1cc(N2CC(F)C2)ccc1OCc1ccccc1 1857566244 WCNFDVUNFVSMEB-UHFFFAOYSA-N 378.407 3.466 10 1 GGCF CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 13819469 MDSNXRGYFHICIH-OAHLLOKOSA-N 384.484 3.154 10 1 GGCF O=C(c1ccc([N+](=O)[O-])o1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71294534 HLSXAUPSRRLUKO-HNNXBMFYSA-N 378.344 3.280 10 1 GGCF O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCCc4ccc(O)c(O)c4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 169325479 DWZZUSPCPXZLJI-UPOJXPCUSA-N 382.456 3.107 10 1 GGCF COc1c2cc(c(OC)c1OC)-c1cc(ccc1O)CC(=O)C(=O)CCCC2 39179941 REQMFSCUZSYUIK-UHFFFAOYSA-N 384.428 3.492 10 1 GGCF biogenic O=C(Nc1cccc(NC(=O)c2ccc(O)c(O)c2)c1)c1ccc(O)c(O)c1 3937609 AUYCBVKSWYIBBP-UHFFFAOYSA-N 380.356 3.014 10 1 GGCF Oc1ccc(C=CO[C@@H]2CC[C@@H](O)[C@H]2OC=Cc2ccc(O)c(O)c2)cc1O 2356394768 HQXMJYFFQYYWMB-DUXKGJEZSA-N 386.400 3.076 10 1 GGCF CC(=O)Oc1cccc2c1C(=O)c1c(c(O)c3cc(C(C)=O)ccc3c1O)C2=O 238780766 MXVBULBYIAHXMW-UHFFFAOYSA-N 390.347 3.154 10 1 GGCF Cc1c(CC(=O)N2CCCC2)c2cc(Cl)ccc2n1CCN1CCOCC1 1857552151 IXTUACNPYNVFRK-UHFFFAOYSA-N 389.927 3.100 10 1 GGCF O=C1c2c(cc3oc4cc(O)c(O)cc4c3c2O)O[C@H]1Cc1ccc(O)c(O)c1 1857637321 YYOAAFNQWDKMKM-KRWDZBQOSA-N 394.335 3.300 10 1 GGCF Cc1ccc(C(=O)NCCCC[C@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27715136 OCXYFOOXDLXCHJ-HRAATJIYSA-N 386.492 3.018 10 1 GGCF C[C@H]1CN(C)C(=O)c2cc(N(C)C)ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95662596 UFFWTNVQGNGZDE-KBXCAEBGSA-N 391.512 3.089 10 1 GGCF C[C@H](CCCCC(=O)NC1CCCCC1)NC[C@@H](O)c1ccc(O)c(O)c1 27555994 RISRKRAMYMWNQP-FOIQADDNSA-N 378.513 3.119 10 1 GGCF CN1CCc2cc(O)c(O)cc2[C@@H]1Cc1cc(O)c(O)cc1Br 95556784 RBZMMMBIGFUNBS-ZDUSSCGKSA-N 380.238 3.043 10 1 GGCF Nc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1CC(=O)O 587249805 NJIKLCXWAKESCV-UHFFFAOYSA-N 397.390 3.215 10 1 GGCF CC=C(CC)Cc1cc2c(c(O)c1C(=O)O)C(=O)c1c(O)cc(O)cc1C2=O 2356649660 SYTAMFWHVQWAKV-UHFFFAOYSA-N 382.368 3.176 10 1 GGCF COc1ccc([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)c(O)c1 962662894 JBLDOUUWOFEVPS-PKTZIBPZSA-N 392.455 3.311 10 1 GGCF c1cc(N2CCOCC2)ccc1CN1CCC[C@@H](Nc2ccc3[nH]ncc3c2)C1 114335239 BMTAHBGHVDJLDW-OAQYLSRUSA-N 391.519 3.476 10 1 GGCF COc1c(O)c(O)cc2c1C=C[C@@H]1[C@H](O)C[C@@H](CCc3ccc(O)cc3)O[C@@H]21 2356614897 MRAZKNYBEBHXTG-AUSMBZDKSA-N 384.428 3.279 10 1 GGCF Cc1ccc(NC(=O)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2N=N)cc1C 138161159 PJBMAGIDIGOEOY-ZWKOTPCHSA-N 378.432 3.448 10 1 GGCF Oc1ccc(-n2c(Cc3nnn[nH]3)ccc2-c2ccc(-n3ccnc3)cc2)cc1 68201309 RVXVILFRTKQJRY-UHFFFAOYSA-N 383.415 3.140 10 1 GGCF CCOC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 64447997 AWJBESKRLWTUMV-QFIPXVFZSA-N 389.455 3.351 10 1 GGCF O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCCCC3)sc21 299834998 UQOWQSOOAQRHJF-UHFFFAOYSA-N 380.425 3.473 10 1 GGCF CC(C)n1cnc2c(NCc3ccccc3O)nc(N[C@@H]3CCCC[C@H]3N)nc21 299862549 NJSVKTBHWJBEQS-HZPDHXFCSA-N 395.511 3.407 10 1 GGCF O=C(CNC(=O)c1ccco1)N=Nc1c(O)[nH]c2ccc(Br)cc12 299813153 NHFVDVIRIUZDGD-UHFFFAOYSA-N 391.181 3.269 10 1 GGCF COc1ccc([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(O)c1 962662898 JBLDOUUWOFEVPS-XZOQPEGZSA-N 392.455 3.311 10 1 GGCF COc1c(O)c(O)cc2c1CC[C@H]1[C@@H]2O[C@H](CCc2ccc(O)cc2)C[C@H]1O 2356355184 DRKGWZUFBNVGCW-OQBJRAFVSA-N 386.444 3.198 10 1 GGCF CSCC[C@H](N/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1)C(=O)O 72176498 CNJOAHSUBKLLBC-DNKLCNGGSA-N 395.484 3.117 10 1 GGCF O=Cc1ccc(O)c(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1O 14980186 IGMXJWGYCYRLJZ-UHFFFAOYSA-N 397.862 3.434 10 1 GGCF Cc1cc2c(c3oc([C@@H](C)[C@@H](C)O)cc(=O)c13)C(=O)c1c(O)cccc1C2=O 13369479 ONHCPBOKJBCMAX-WDEREUQCSA-N 378.380 3.067 10 1 GGCF biogenic CCCCN1CCN(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1 63540137 YIAQLLSRXBLMGX-UHFFFAOYSA-N 377.492 3.251 10 1 GGCF NC[C@@]1(c2ccccc2O)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962623364 CWHLUUVKDOPHKH-BWKNWUBXSA-N 385.511 3.341 10 1 GGCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1O 103266550 PGTOEVVTANJYML-UHFFFAOYSA-N 385.445 3.209 10 1 GGCF CN1CCOc2cc([C@H]3N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc21 962976380 ZQOXULBWYZGDGB-SCLBCKFNSA-N 394.805 3.135 10 1 GGCF O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 261491823 LGWWQMQBPJNCFQ-PVFTVIPPSA-N 380.352 3.005 10 1 GGCF CC=C(C)C(=O)O[C@@H]1C2=C(C)[C@H](OC)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C 2356582541 MEKWGZJWKCYLQM-OYCLGGPUSA-N 394.508 3.343 10 1 GGCF COc1cc2c3c(c1)O[C@@H](c1cc(O)c(O)c(Br)c1)[C@@H](C2)C3=O 587412507 IMGZRVQXMQPQID-BTDLBPIBSA-N 377.190 3.358 10 1 GGCF COc1c(O)c(O)cc2c1C=C[C@H]1[C@@H]2O[C@@H](CCc2ccc(O)cc2)C[C@H]1O 2356614900 MRAZKNYBEBHXTG-QYDULMRYSA-N 384.428 3.279 10 1 GGCF C[C@@H](CCCCC(=O)NC1CCCCC1)NC[C@@H](O)c1ccc(O)c(O)c1 27555992 RISRKRAMYMWNQP-MGPUTAFESA-N 378.513 3.119 10 1 GGCF CCOC(=O)COc1ccc(C(=O)c2cccc(CN)c2O)c(Cl)c1Cl 29337659 BVOYVQXGFBUYFP-UHFFFAOYSA-N 398.242 3.331 10 1 GGCF C[C@@H]1[C@H]2C=C[C@@H]1[C@@H](c1c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc13)[C@@H]2C(=O)O 6202451 BSAMRWOMXJWVCE-ACZDKQLMSA-N 394.379 3.251 10 1 GGCF Cc1c(CCN2CCOCC2)c2cc(Cl)ccc2n1CC(=O)N1CCCC1 1857612391 AMTATLJLLNSMEO-UHFFFAOYSA-N 389.927 3.100 10 1 GGCF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)o1 586931100 KTQYUKCFSONKRR-UHFFFAOYSA-N 398.444 3.448 10 1 GGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)nc(S)nc3[nH]1)[C@@H]1CC=C[C@@H]21 587277422 VRVQAOSLQGRLCR-BREBYQMCSA-N 396.432 3.390 10 1 GGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(=N)[nH]c(Cl)c-3n1)[C@@H]1CC=C[C@@H]21 587272223 QEOKPOKXZXYBFH-BREBYQMCSA-N 397.826 3.414 10 1 GGCF O=C(NCCCN1CCCC1=O)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 43121092 KRXDNRAUGADNAI-SNAWJCMRSA-N 380.444 3.011 10 1 GGCF CC(=O)c1ccc(N2CCN(Cc3c(O)ccc4c(C)cc(=O)oc34)CC2)cc1 96902099 WILKJMGSGCGPRK-UHFFFAOYSA-N 392.455 3.332 10 1 GGCF O=C1c2c(O)cc3oc4cc(O)c(O)cc4c3c2O[C@@H]1Cc1ccc(O)c(O)c1 1857637996 RYCAMFFVHPVRID-QGZVFWFLSA-N 394.335 3.300 10 1 GGCF Oc1ccc(C=CO[C@@H]2CC[C@H](O)[C@H]2OC=Cc2ccc(O)c(O)c2)cc1O 2356394769 HQXMJYFFQYYWMB-IOMROCGXSA-N 386.400 3.076 10 1 GGCF C/C=C/c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)Cc1cccnc1)[C@@H](CO)N2C 95878862 NAOWZUCOFVWKRA-AJPAZJGKSA-N 377.488 3.058 10 1 GGCF CN1CCN(Cc2c(O)ccc3c2nc(CSc2ccccc2)n3C)CC1 64559135 PZXSXMYDJPVYJF-UHFFFAOYSA-N 382.533 3.319 10 1 GGCF OCCN(CCO)c1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1 963119505 GXIVPYTXCSSAJO-LJQANCHMSA-N 381.303 3.020 10 1 GGCF CN(C)CCNc1ccc(O)c2c1C(=O)c1c(Cl)ccc(Cl)c1C2=O 29406232 PLLMHOCPHOQRBD-UHFFFAOYSA-N 379.243 3.448 10 1 GGCF C[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)n1cc([N+](=O)[O-])cn1 587277263 RPWRYLQWCDARBE-SNVBAGLBSA-N 387.355 3.052 10 1 GGCF C/C(=C\Cc1c(O)c(O)cc2c1OC[C@H]1c3cc4c(cc3O[C@@H]21)COC4)CO 238768798 BZTOCIGDCPTQOF-ANSKVVDRSA-N 382.412 3.219 10 1 GGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CS(=O)(=O)C3CCCC3)[nH]c21 586924054 FXEMNZARPONCJA-UHFFFAOYSA-N 394.452 3.196 10 1 GGCF CCOC(=O)Nc1cc2c(c(N)n1)N=C(CN(C)c1ccc(OC)cc1)[C@H](C)N2 26954942 FIFBPQMPYUTVAO-LBPRGKRZSA-N 398.467 3.264 10 1 GGCF C[C@H]1CN(C)C(=O)c2cc(N(C)C)ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C 95661657 UFFWTNVQGNGZDE-KSSFIOAISA-N 391.512 3.089 10 1 GGCF CC(=O)[C@@H](Nc1c(O)cc(O)c(O)c1C[C@H]1CCC[C@@H]2CCCC[C@H]21)C(=O)O 169717715 KNYBSGZAAJFNFA-HNSFDTNUSA-N 391.464 3.407 10 1 GGCF CCc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12 28711239 JWIRKHVIRRSCBB-UHFFFAOYSA-N 377.400 3.032 10 1 GGCF COc1ccc([C@@H](CCN2CCN(c3ccc(OC)cc3)CC2)OC(N)=O)cc1 95577334 BUSDSMMCOLSENE-OAQYLSRUSA-N 399.491 3.053 10 1 GGCF O=C1c2ccccc2C(=O)c2c(Nc3ccccc3)cc(S(=O)(=O)O)cc21 66166427 AAKZMFOUEBXRTE-UHFFFAOYSA-N 379.393 3.452 10 1 GGCF in-vitro CCCn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@H](C)[C@@H](C)O)CN(C)[C@H]1C2 253634151 POHMGMFALGPTQS-QDOULVBYSA-N 384.520 3.324 10 1 GGCF CC(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 64527404 YBCFDDCJLZVHPZ-HXUWFJFHSA-N 381.545 3.319 10 1 GGCF Cc1ccc(O)c(Cn2c(-c3ccccc3)nc3c(O)c(O)c(O)cc3c2=O)c1 96285599 SYEGIOUDEHFYQT-UHFFFAOYSA-N 390.395 3.243 10 1 GGCF Oc1c(CN2CCCC2)cc(Cn2cnc3c(Cl)ncnc32)c2cccnc12 1857755481 CIQAAUKHIPNIEV-UHFFFAOYSA-N 394.866 3.378 10 1 GGCF Cc1cc2c(cc1O)[C@@](C)(c1c(F)ccc(C(F)(F)F)c1O)N[C@H](C(=O)O)C2 963527712 QHXUHMAHZPSJEG-UGSOOPFHSA-N 399.340 3.427 10 1 GGCF Cc1ccccc1N1CCN(C[C@H](O)c2ccc(O)c(C3N=NN=N3)c2)CC1 26990335 MQUYKGXEWDSJTO-IBGZPJMESA-N 380.452 3.388 10 1 GGCF CC(C)(C)n1nnnc1[C@@H](c1cccc(F)c1O)N1CCc2ccccc2C1 1772638226 HGCLXECRFKUMPY-GOSISDBHSA-N 381.455 3.421 10 1 GGCF COc1cc(O)c([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1Cl 963221976 GEZIVRLKORVMFJ-QFBILLFUSA-N 384.819 3.291 10 1 GGCF COc1cc2oc(-c3ccc(O)c(O)c3)c(C(C)=O)c(=O)c2c(OC)c1OC 40918733 JPJCTLVTPRIYIC-UHFFFAOYSA-N 386.356 3.100 10 1 GGCF CCn1cc2c3c(cccc31)[C@H]1C[C@@H](NC(=O)n3nc(C)cc3C)CN(C)[C@H]1C2 11726226 ZSJNNQSQILSGMP-QFUCXCTJSA-N 391.519 3.445 10 1 GGCF CC=C(C)C(=O)O[C@@H]1C2=C(C)[C@H](OC)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C 2356582542 MEKWGZJWKCYLQM-XCGXGCTMSA-N 394.508 3.343 10 1 GGCF COc1cc(C2=NN(C(C)=O)[C@H](c3ccc(N(C)C)cc3)C2)cc(OC)c1OC 64373072 CBQJREWDTKQBAS-IBGZPJMESA-N 397.475 3.476 10 1 GGCF NC[C@@H]1O[C@H](c2ccc(I)cc2)Cc2c1ccc(O)c2O 13823799 IFTXVACPDRUAPN-GJZGRUSLSA-N 397.212 3.016 10 1 GGCF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)c(O)c4)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356335739 DWZZUSPCPXZLJI-QOGUYYCESA-N 382.456 3.107 10 1 GGCF Cc1ccc(NC(=O)OCCC[C@@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27716684 HICVCONEMFCHKF-QRWLVFNGSA-N 388.464 3.447 10 1 GGCF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cc4c(cc3F)OCCO4)C2)cc1 142228529 GLBDSTFXOIUSSG-ZDUSSCGKSA-N 386.423 3.062 10 1 GGCF O=C(CN1CCN(Cc2ccccc2)CC1)N=Nc1c(O)[nH]c2ccccc12 299813843 REUZGBAVPYQCEW-UHFFFAOYSA-N 377.448 3.302 10 1 GGCF COc1ccccc1/C=C/C(=O)NCC(=O)/N=N\c1c(O)[nH]c2ccccc12 96901531 ZSDXMIPTYJTUND-AOGQFUSRSA-N 378.388 3.322 10 1 GGCF Cc1ccc(O)c([C@]2(C)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1 962625842 DAUAACIDGPCXHD-UGSOOPFHSA-N 381.350 3.462 10 1 GGCF Nc1ccc(CC[C@H]2CCC/C=C/[C@@H]3C[C@H](O)C[C@H]3[C@H](O)/C=C/C(=O)O2)cc1 103146826 XYHXWNUKNRJNQN-JDGPEGMASA-N 385.504 3.158 10 1 GGCF COc1ccc(N2CCN(C[C@H](O)c3ccc(Br)cc3)CC2)cc1 103464872 VILWGGMKHQCIJJ-IBGZPJMESA-N 391.309 3.313 10 1 GGCF CC(=O)N1N=C(c2c(O)ccc3c(C)cc(=O)oc23)C[C@H]1c1ccccc1O 84704645 FZGQCKZLWZZMAW-INIZCTEOSA-N 378.384 3.210 10 1 GGCF COc1ccc([C@H](CCN2CCN(c3ccc(OC)cc3)CC2)OC(N)=O)cc1 95577335 BUSDSMMCOLSENE-NRFANRHFSA-N 399.491 3.053 10 1 GGCF CC(C)(C)c1cc(I)c(O)c(CNC2=NCCS2)c1 27847718 GOYMYZRRBAQDNP-UHFFFAOYSA-N 390.290 3.487 10 1 GGCF CC[C@](C)(O)c1cc(=O)c2c(C)cc3c(O)c4c(c(O)c3c2o1)C(=O)CCC4=O 14637456 CAICRNNJVRUMNG-QFIPXVFZSA-N 396.395 3.443 10 1 GGCF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)C2=[N+]=[N-])N1 587742940 BWZVLDJBWZTJHT-HUTHGQBESA-N 380.261 3.378 10 1 GGCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)C2=[N+]=[N-])N1 587742952 BWZVLDJBWZTJHT-VVVCHXIZSA-N 380.261 3.378 10 1 GGCF Cc1cc(O)c([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(O)c1 962670945 RIESOPQAMOYZDE-XZOQPEGZSA-N 392.455 3.317 10 1 GGCF COc1cc(CC[C@@H]2C[C@@H](O)C[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 15112357 YYPVGAJJYQQFMX-RKVPGOIHSA-N 390.432 3.034 10 1 GGCF endogenous,in-man Nc1ccc(Nc2nnc(-c3cccc(S(N)(=O)=O)c3)c3ccccc23)cc1 95590820 WPAWKHWQSURIPJ-UHFFFAOYSA-N 391.456 3.270 10 1 GGCF O=[N+]([O-])c1cccc2nc3ccccc3c(NCCC[N+]3([O-])CCOCC3)c12 5955727 MGPFKRWPUXGULM-UHFFFAOYSA-N 382.420 3.443 10 1 GGCF Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 117853922 HPUOXERGZUDYRB-GOSISDBHSA-N 386.883 3.085 10 1 GGCF COc1ccccc1/N=N/C(=C1/NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-] 103209087 JIKJIHXODJNBJD-ZOKPAGGWSA-N 388.815 3.336 10 1 GGCF C[C@]1(c2cc(OC(F)(F)F)ccc2O)N[C@H](C(=O)O)Cc2cc(F)ccc21 962908155 UCDSXVLPIPUTNP-YOEHRIQHSA-N 385.313 3.292 10 1 GGCF COc1cc(/C=C/C(=O)O)ccc1OCCOc1ccc(N(C)C)cc1OC 28903290 JNPGPUGJHXGVNZ-UXBLZVDNSA-N 387.432 3.325 10 1 GGCF Cc1ccc([S@@](=O)Cc2nc3c(Cn4ccnc4)c(O)ccc3n2C)cc1 64549448 PLSVFBHBYKAJLR-HHHXNRCGSA-N 380.473 3.140 10 1 GGCF COc1ccc(N[C@@H]2[C@@H]3C(=O)C(=O)c4ccccc4[C@@H]3OC2(C)C)c([N+](=O)[O-])c1 45287269 LPJIUFZAZCYEPO-LSTHTHJFSA-N 396.399 3.316 10 1 GGCF CCn1cc2c3c(cccc31)[C@@H]1C[C@H](NC(=O)n3nc(C)cc3C)CN(C)[C@H]1C2 114282773 ZSJNNQSQILSGMP-CUWPLCDZSA-N 391.519 3.445 10 1 GGCF O=S(=O)(Nc1nccs1)c1ccc(NCc2cccc(F)c2O)cc1 103268901 VKIVVKVIDSRYLO-UHFFFAOYSA-N 379.438 3.401 10 1 GGCF Nc1ccc(C2=NNC(=O)[C@@H](Cc3ccccc3)c3cc4c(cc32)OCO4)cc1 29124319 XPSCWODCTJNSSK-IBGZPJMESA-N 385.423 3.206 10 1 GGCF Cc1ccc([S@](=O)Cc2nc3c(Cn4ccnc4)c(O)ccc3n2C)cc1 64549449 PLSVFBHBYKAJLR-MHZLTWQESA-N 380.473 3.140 10 1 GGCF CC(=O)C[C@]1(O)C(=O)c2ccccc2-c2oc3c(c21)C(=O)c1ccccc1C3=O 220451934 XDEZKYVFAVCEJK-HSZRJFAPSA-N 386.359 3.085 10 1 GGCF COc1cc(CC[C@@H]2C[C@@H](O)C[C@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 13340618 YYPVGAJJYQQFMX-IIDMSEBBSA-N 390.432 3.034 10 1 GGCF endogenous,in-man COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc(N(C)C)cc3)C2)cc(OC)c1OC 58583638 CBQJREWDTKQBAS-LJQANCHMSA-N 397.475 3.476 10 1 GGCF COc1cc(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)cc(O)c1O 587785279 KELTWLSLDZCTNO-IHWYPQMZSA-N 380.173 3.450 10 1 GGCF NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c4c(-c5ccccc5)csc4c32)S1 40420457 WKKSGEJGZGUJFU-GDNBJRDFSA-N 394.481 3.329 10 1 GGCF CCOCOc1cccc2c1C(=O)c1c(OCOCC)cc(C=O)cc1C2=O 473153968 DNOOBWOSQNFQNK-UHFFFAOYSA-N 384.384 3.020 10 1 GGCF O=c1cc(CNCc2ccc(Br)cc2)oc2ccc(O)c(O)c12 71331822 VCYGXQJJERLNSC-UHFFFAOYSA-N 376.206 3.257 10 1 GGCF O=C1c2c(cc3oc4cc(O)c(O)cc4c3c2O)O[C@@H]1Cc1ccc(O)c(O)c1 1857637323 YYOAAFNQWDKMKM-QGZVFWFLSA-N 394.335 3.300 10 1 GGCF CCN(CC)C(=O)Oc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1 473155210 QGTBKSTUWGAYSX-UHFFFAOYSA-N 385.372 3.417 10 1 GGCF CN(C)CCCn1c2c(n3ccnc3c1=O)Cc1c(-c3cccnc3)cccc1-2 299865081 SPVMSLNVESINGJ-UHFFFAOYSA-N 385.471 3.081 10 1 GGCF COC(=O)Cn1c(O)c(/N=N\C(=O)c2ccc3c(c2)OCO3)c2ccccc21 102740123 NMQCZXSGLQLPOL-MRCUWXFGSA-N 381.344 3.173 10 1 GGCF O=S(=O)(Nc1cc(SCCO)c(O)c2ccccc12)c1cccs1 84669853 JQUKLJAUYSNRGE-UHFFFAOYSA-N 381.500 3.492 10 1 GGCF C[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)n1cc([N+](=O)[O-])cn1 587277262 RPWRYLQWCDARBE-JTQLQIEISA-N 387.355 3.052 10 1 GGCF COC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 5558137 SRWNKGYXOWZYBF-RBDSIQFVSA-N 391.489 3.489 10 1 GGCF Oc1ccc([C@@H]2Oc3c(c(O)cc4oc5cc(O)c(O)cc5c34)C[C@H]2O)cc1O 2356571887 HZIPWFRHYVQIAX-UZLBHIALSA-N 396.351 3.151 10 1 GGCF COc1ccc(N[C@H]2[C@@H]3C(=O)C(=O)c4ccccc4[C@@H]3OC2(C)C)c([N+](=O)[O-])c1 45287272 LPJIUFZAZCYEPO-UXPWSPDFSA-N 396.399 3.316 10 1 GGCF COC(=O)[C@@H]1C[C@H]2c3c([nH]c4ccccc34)C[C@@H](C1=O)N2Cc1ccccc1O 71329124 FMBXXQLSMYIJSI-MNEFBYGVSA-N 390.439 3.104 10 1 GGCF Cn1cc2c3c1C(=O)c1[nH]cc(-c4ccc(O)c(Br)c4)c1C3=NCC2 2356875291 ZOGFTZVMTOAQPT-UHFFFAOYSA-N 396.244 3.426 10 1 GGCF Cc1cc2c(c3oc([C@H](C)[C@H](C)O)cc(=O)c13)C(=O)c1c(O)cccc1C2=O 13369484 ONHCPBOKJBCMAX-MNOVXSKESA-N 378.380 3.067 10 1 GGCF biogenic Cc1c(CCN2CCOCC2)c2cc(Cl)ccc2n1CC(=O)NCC1CC1 1857604279 CPQWFVNIYVNFIH-UHFFFAOYSA-N 389.927 3.004 10 1 GGCF CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCc1cccnc1 5397110 MDBLSIVLQQPVHP-OALUTQOASA-N 397.519 3.350 10 1 GGCF biogenic CC(C)n1c(O)c(N=NC(=O)c2ccccc2S(N)(=O)=O)c2ccccc21 618013628 YAFLENIFMBVBBT-UHFFFAOYSA-N 386.433 3.499 10 1 GGCF Cc1cccc(C(=O)C[C@@]2(c3ccccc3O)c3nn(C)cc3CCN2C)c1 963955708 RTHJKJNVBZQJIB-HSZRJFAPSA-N 375.472 3.439 10 1 GGCF CCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)cc1=O 209430302 CIYXQFKBYMGGNC-AEFFLSMTSA-N 392.459 3.220 10 1 GGCF COC(=O)c1c(C)cc2c(c1O)C(=O)c1c(cc(O)c(CC=C(C)C)c1O)C2=O 142391265 VHXGADCMKFUNJN-UHFFFAOYSA-N 396.395 3.183 10 1 GGCF CCCn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@H]1C2 29488394 POHMGMFALGPTQS-REWKAPCFSA-N 384.520 3.324 10 1 GGCF COc1ccc(N2CCN(CCCOc3ccc4c(=O)ccoc4c3)CC2)cc1 13860927 GTNMHTNTHGNOCT-UHFFFAOYSA-N 394.471 3.393 10 1 GGCF Cc1c(Br)ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 586948897 MRJXICMSORWAGF-UHFFFAOYSA-N 396.266 3.378 10 1 GGCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1O 103266547 WPSFPRGJZJKOLP-UHFFFAOYSA-N 385.445 3.209 10 1 GGCF CN1CCN(C(=O)c2cccc3c(NCCN=[N+]=[N-])c4ccccc4nc23)CC1 45260779 UYSXMSOSVZRJEK-UHFFFAOYSA-N 389.463 3.498 10 1 GGCF CC[C@@H](C)NCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(OC)c(O)c1)O2 653689025 MXBQHERIUIZOGZ-ZMZPIMSZSA-N 387.432 3.407 10 1 GGCF CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC=C3[C@]21C)C(C)C 2356718926 KNIWRLJEMCZTRC-RQXXJAGISA-N 389.492 3.272 10 1 GGCF CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 1857534323 JIISCSXXHZUICM-MOPGFXCFSA-N 391.437 3.391 10 1 GGCF CSCC[C@H](NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O 1856866 MCZOQAVTLSACNL-KRWDZBQOSA-N 399.468 3.462 10 1 GGCF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)[C@@H](OC)O[C@@]2(OC)C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C 238774497 MEKWGZJWKCYLQM-JPUWCAHSSA-N 394.508 3.343 10 1 GGCF CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 4201044 RREYRSQFRXAEIL-PKIAMQTDSA-N 389.473 3.265 10 1 GGCF Cc1cc(O)c([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)c(O)c1 962670944 RIESOPQAMOYZDE-PKTZIBPZSA-N 392.455 3.317 10 1 GGCF COc1ccc(-c2nnc(CCSC(=S)NCc3cccnc3)o2)cc1 653708986 BFBSOTYAPQTWLK-UHFFFAOYSA-N 386.502 3.491 10 1 GGCF COC(=O)C[C@@]1(c2ccc(OC)cc2O)c2c(F)cccc2C[C@@H]2CCCN21 963111088 WEMGKVDFIFSFHY-OYHNWAKOSA-N 385.435 3.367 10 1 GGCF Cc1ccccc1C(=O)NCCCC[C@H](C)NC[C@@H](O)c1ccc(O)c(O)c1 27720773 JSWDYOOKAFWLGC-HRAATJIYSA-N 386.492 3.018 10 1 GGCF CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CCCC2 13154149 RREYRSQFRXAEIL-DRABBMOASA-N 389.473 3.265 10 1 GGCF NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(N)cn4)c3)ncnc12 114348042 PFUMSQGNDBBXLM-UHFFFAOYSA-N 385.431 3.062 10 1 GGCF CC=Cc1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C=O)c1[C@@H](OC(C)C)O2 2356619330 BNFPYGWOFGPTQR-FQEVSTJZSA-N 388.372 3.388 10 1 GGCF COc1c(O)c2c(c(O)c1C(C)C)C(=O)C(=O)[C@@H]1C(C)(C)CCC[C@]21CO 14774135 JTJFUDHKPWGQGT-CTNGQTDRSA-N 376.449 3.052 10 1 GGCF biogenic COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2C)nc1 209440759 PVLVKUGHBFHRSL-QAPCUYQASA-N 392.459 3.045 10 1 GGCF O=C(Nc1ccnnc1)c1cc(N2CCOCC2)ccc1OCc1ccccc1 1857557582 ABAQMTMQQSSUGL-UHFFFAOYSA-N 390.443 3.145 10 1 GGCF COC(=O)Cn1c(O)c(N=NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 254010673 NMQCZXSGLQLPOL-UHFFFAOYSA-N 381.344 3.173 10 1 GGCF COc1cc(O)cc2c1C(=O)c1c(cc3c(c1O)[C@H]1CCC[C@@](C)(O3)O1)C2=O 13374849 QZGXXZPRJHSVTD-XUSGNXJCSA-N 382.368 3.232 10 1 GGCF biogenic CC(C)c1oc2c(c1C(=O)NCCCn1ccnc1)C(=O)c1ccccc1C2=O 1911574906 CTRQCFFNRXKUOK-UHFFFAOYSA-N 391.427 3.195 10 1 GGCF CCN(CC)CCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2cccn2C)C1=O 29124496 NEAHOUNIAFGZTI-UHFFFAOYSA-N 390.487 3.128 10 1 GGCF O=c1cc(CNCc2ccccc2Br)oc2ccc(O)c(O)c12 71333495 FSUAJKYDTKUAIF-UHFFFAOYSA-N 376.206 3.257 10 1 GGCF CC(=O)N(C)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1 28951418 KIGNBTZKQBUDRY-UHFFFAOYSA-N 389.260 3.483 10 1 GGCF c1cc(N2CCOCC2)ccc1CN1CCC[C@H](Nc2ccc3[nH]ncc3c2)C1 114335237 BMTAHBGHVDJLDW-NRFANRHFSA-N 391.519 3.476 10 1 GGCF COCCOc1cc2ncnc(Sc3nccs3)c2cc1OCCOC 84738956 OAUOQTXBUKUGDV-UHFFFAOYSA-N 393.490 3.288 10 1 GGCF CC(C)(C)n1nnnc1[C@H](c1cccc(F)c1O)N1CCc2ccccc2C1 1772638227 HGCLXECRFKUMPY-SFHVURJKSA-N 381.455 3.421 10 1 GGCF C/C=C(\C)C(=O)O[C@H]1C2=C(C)[C@@H](OC)O[C@]2(OC)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C 15159853 MEKWGZJWKCYLQM-ADGFQLDPSA-N 394.508 3.343 10 1 GGCF endogenous,in-man CC(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 64527405 YBCFDDCJLZVHPZ-FQEVSTJZSA-N 381.545 3.319 10 1 GGCF Cc1nc(N(C)C)ncc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587195146 RLMGBAQTGIFNEY-UHFFFAOYSA-N 383.411 3.170 10 1 GGCF CN(CCO)c1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc1 587193249 WDKIGYICGVAFDM-UHFFFAOYSA-N 390.237 3.119 10 1 GGCF COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(N)cc1 27762833 SKCYIZRIKJXFMY-URXFXBBRSA-N 393.531 3.430 10 1 GGCF CCn1cc2c3c(cccc31)[C@@H]1C[C@@H](NC(=O)n3nc(C)cc3C)CN(C)[C@H]1C2 608107 ZSJNNQSQILSGMP-LMNJBCLMSA-N 391.519 3.445 10 1 GGCF biogenic Cc1cc(-n2c(O)ccc2O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 169719773 IDCRJWFFCASEPM-UHFFFAOYSA-N 381.340 3.087 10 1 GGCF CCO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23C[C@@H](O)CC(C)(C)[C@@H]2[C@@H]1OC3=O 238785935 NYXQGVNPFGAHMA-WIUHYWCASA-N 390.476 3.273 10 1 GGCF CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cc(F)ccc3O)CC2)C1=O 473107470 JDOAGAJPCFLQKQ-UHFFFAOYSA-N 391.487 3.196 10 1 GGCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC[C@@H]5CO5)cc34)[C@H]21 95555449 AWBULLZOOPODCP-SZNDQCEHSA-N 375.428 3.092 10 1 GGCF Cc1cc(O)c2c(c1OC(=O)c1ccccc1)C(=O)c1cc(O)cc(O)c1C2=O 14760936 PRIRJQXOMUVDQT-UHFFFAOYSA-N 390.347 3.106 10 1 GGCF biogenic NC(=O)c1ccc(-c2cc(-c3ccc(O)c(O)c3)n(-c3ccccc3O)n2)cc1 43062765 LIPQVQJFMDFUFI-UHFFFAOYSA-N 387.395 3.422 10 1 GGCF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc4c(c3)OCCCO4)C2)cc1 142227640 ACXIZUOANUCRON-HNNXBMFYSA-N 382.460 3.313 10 1 GGCF O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3cccc(O)c3)o2)SC1=S 1857754318 BIENUAAQBYGCLF-NTEUORMPSA-N 375.427 3.328 10 1 GGCF O=C(O)Cc1ccc(-c2ccccc2NC(=O)Cc2cc(O)c(O)c(O)c2)s1 35269399 DRVCBASQTDRSEY-UHFFFAOYSA-N 399.424 3.340 10 1 GGCF COC(=O)c1c(C)cc2c(c1O)C(=O)c1c(cc3c(c1O)C=CC(C)(C)O3)C2=O 139699325 YELMGJGNPKYOJB-UHFFFAOYSA-N 394.379 3.152 10 1 GGCF CC(C)(C)OC(=O)/C=C\c1ccnc2c1C(=O)c1sc([N+](=O)[O-])cc1C2=O 1857645134 ZPQVFBRJOSHZPZ-PLNGDYQASA-N 386.385 3.182 10 1 GGCF O=C(O)c1cc2cc(O)c(O)cc2c([C@@H](O)c2ccc(C(F)(F)F)cc2)n1 13490162 LVSILPXOGLUNCT-INIZCTEOSA-N 379.290 3.445 10 1 GGCF CCCn1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 29488385 POHMGMFALGPTQS-UXPGNFPBSA-N 384.520 3.324 10 1 GGCF Cc1ccccc1C(=O)NCCCC[C@@H](C)NC[C@H](O)c1ccc(O)c(O)c1 27720795 JSWDYOOKAFWLGC-IERDGZPVSA-N 386.492 3.018 10 1 GGCF CN1CCN(c2nc(NCc3ccc(N)cc3)c3cc(Cl)ccc3n2)CC1 45495428 YTLUXTFQLXDBJU-UHFFFAOYSA-N 382.899 3.229 10 1 GGCF CN(CCO)c1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587192912 JXQLFNCJNLAPPK-UHFFFAOYSA-N 397.434 3.434 10 1 GGCF Cc1cc(O)c([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c(O)c1 962670941 RIESOPQAMOYZDE-GOTSBHOMSA-N 392.455 3.317 10 1 GGCF O=C(C(=O)N1CCC(Cc2ccccc2)CC1)c1c[nH]c2cc(O)c(O)cc12 103227688 YCFGDBMCZVEZAB-UHFFFAOYSA-N 378.428 3.243 10 1 GGCF COC(=O)N1C2(C=C[C@]1(C)C(=O)NCc1ccc(N(C)C)cc1)CCCCC2 7992831 ZLGMSSKIPRLBAC-OAQYLSRUSA-N 385.508 3.469 10 1 GGCF COC(=O)C[C@@H](Cc1ccc(N)cc1)NC(=O)c1c(Cl)cccc1Cl 2356587730 VSIQZJGKIQNGBV-CYBMUJFWSA-N 381.259 3.480 10 1 GGCF Cc1c2c(c([C@H](C)O)n1-c1ccc(C(=O)O)cc1)C(=O)c1cccc(O)c1C2=O 2356341083 FYNQLFVJVIXADL-NSHDSACASA-N 391.379 3.018 10 1 GGCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)C2=[N+]=[N-])N1 587748416 WZRAPERPDNSRMO-VVVCHXIZSA-N 380.261 3.378 10 1 GGCF c1cc(N2CCCC2)ccc1[C@@H](c1nnnn1C1CCCCC1)N1CCOCC1 19332653 FHSDHYWTCZJBET-NRFANRHFSA-N 396.539 3.200 10 3 GGCF CN(C)CCNC(=O)c1cccc2c(N)c3cccc(C(F)(F)F)c3nc12 27728570 MDPJAHUGFCQBBS-UHFFFAOYSA-N 376.382 3.280 10 1 GGCF COc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1O 40895219 QEPLVSBEKYUSNE-IZZDOVSWSA-N 379.199 3.169 10 1 GGCF O=C(Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1)c1ccc(F)cc1 1911584646 DUMKXWGHZGUHPT-UHFFFAOYSA-N 382.347 3.447 10 1 GGCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC[C@H]5CO5)cc34)[C@@H]21 254091656 AWBULLZOOPODCP-LHSJRXKWSA-N 375.428 3.092 10 1 GGCF Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccccn1)C2 29132775 HLYDGYAUNSRMCX-UHFFFAOYSA-N 398.315 3.275 10 1 GGCF COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1OC 96922572 QHHQJYVCNCYRKG-BOPFTXTBSA-N 380.400 3.053 10 1 GGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 586949622 WNLMPBSLNVEQGP-UHFFFAOYSA-N 389.330 3.465 10 1 GGCF CC[C@@](C)(O)c1cc(=O)c2c(C)cc3c(O)c4c(c(O)c3c2o1)C(=O)CCC4=O 14637454 CAICRNNJVRUMNG-JOCHJYFZSA-N 396.395 3.443 10 1 GGCF biogenic O=c1cc(-c2ccccc2)oc2c(CN3CCSCC3)c(O)c(O)c(O)c12 40915560 OKLMCBBVPUNFJX-UHFFFAOYSA-N 385.441 3.126 10 1 GGCF O=C(O)c1cc2cc(O)c(O)cc2c([C@H](O)c2ccc(C(F)(F)F)cc2)n1 13490163 LVSILPXOGLUNCT-MRXNPFEDSA-N 379.290 3.445 10 1 GGCF CC[C@H](CO)Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1 95605285 MKNHQUCYYAXXMU-CQSZACIVSA-N 388.447 3.047 10 1 GGCF Nc1ccc(OCCCc2c(O)nc(Nc3ccc4c(c3)CCC4)[nH]c2=O)cc1 28568898 WINGKYUYIKCLMA-UHFFFAOYSA-N 392.459 3.302 10 1 GGCF C[C@@]1(c2cc(OC(F)(F)F)ccc2O)N[C@H](C(=O)O)Cc2cc(F)ccc21 962908150 UCDSXVLPIPUTNP-WMLDXEAASA-N 385.313 3.292 10 1 GGCF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(O)c(O)c1 587867254 ALSPVUWRBFWASD-UHFFFAOYSA-N 379.294 3.072 10 1 GGCF O=C(O)c1cc(N(Cc2cc(O)ccc2O)Cc2cc(O)ccc2O)ccc1O 45484397 ZQWHNKZTMMWBHH-UHFFFAOYSA-N 397.383 3.120 10 1 GGCF biogenic COc1cccc2c1C(=O)c1c(-c3cc[n+](Cc4ccccc4)cc3)noc1C2=O 84687946 RAGCPQNOBRPBSS-UHFFFAOYSA-N 397.410 3.461 10 1 GGCF O=c1cc(-c2ccc(O)c(O)c2)oc2c(CN3CCCCC3)c(O)cc(O)c12 72124767 OLLXXURQYVYKQL-UHFFFAOYSA-N 383.400 3.268 10 1 GGCF O=[N+]([O-])C(/N=N/c1ccc(F)cc1)=C1\NCCN1Cc1ccc(Cl)nc1 103201108 ODOTZNWJUOFUQE-DYUKIBRESA-N 376.779 3.467 10 1 GGCF COc1c(O)c(O)cc2c1CC[C@@H]1[C@H](O)C[C@@H](CCc3ccc(O)cc3)O[C@@H]21 2356355179 DRKGWZUFBNVGCW-AUSMBZDKSA-N 386.444 3.198 10 1 GGCF Cc1ccc(O)c([C@@]2(C)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1 962625836 DAUAACIDGPCXHD-FZKQIMNGSA-N 381.350 3.462 10 1 GGCF COc1ccc(N2CCN(c3nccnc3-c3ccccc3)CC2)cc1OC 1857580311 AWMJJTXRMYCHQU-UHFFFAOYSA-N 376.460 3.487 10 1 GGCF O=C(N=NC(=O)c1ccc2c(O)n(C[C@H]3CCCO3)c(O)c2c1)c1cccnc1 1779684477 VWDPZLFPYZBLKP-CQSZACIVSA-N 394.387 3.059 10 1 GGCF Cn1c2c(c3cc(Br)ccc31)CCc1cc3c(O)nc(O)nc3nc1-2 587366858 RATAUQNWPSUMBF-UHFFFAOYSA-N 397.232 3.456 10 1 GGCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)C2=[N+]=[N-])N1 587748414 WZRAPERPDNSRMO-HUTHGQBESA-N 380.261 3.378 10 1 GGCF C[C@@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)NCCc2ccc(O)cc21 963353800 TZONCNVCQIWHNE-XQYWTEMXSA-N 376.456 3.340 10 1 GGCF COC[C@]1(c2ccc(O)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587796664 UGQARMPGSCJAMW-MLCYQJTMSA-N 396.256 3.424 10 1 GGCF COC[C@@]1(c2ccc(O)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587797884 YJAYRDVKXCKLLN-MGNBDDOMSA-N 396.256 3.424 10 1 GGCF NC[C@]1(c2ccccc2O)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962623373 CWHLUUVKDOPHKH-SQJMNOBHSA-N 385.511 3.341 10 1 GGCF COc1c(O)c(O)cc2c1C=C[C@@H]1[C@H](O)C[C@H](CCc3ccc(O)cc3)O[C@@H]21 2356614898 MRAZKNYBEBHXTG-BHNHYPNCSA-N 384.428 3.279 10 1 GGCF COC(=O)[C@@H](C)c1ccc(-c2ccc(O)c(CN3CCN(C)CC3)c2)c(F)c1 1857546973 OQSDPWSPHIMOTF-HNNXBMFYSA-N 386.467 3.222 10 1 GGCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC[C@H]5CO5)cc34)[C@H]21 169291106 AWBULLZOOPODCP-QKKBWIMNSA-N 375.428 3.092 10 1 GGCF Oc1ccc(/C=C\O[C@@H]2[C@@H](O)CC[C@H]2O/C=C/c2ccc(O)c(O)c2)cc1O 238787842 HQXMJYFFQYYWMB-GTHBPEDESA-N 386.400 3.076 10 1 GGCF CO[C@@H]1Oc2cc(C=Cc3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 2356657249 ZWAYHEUXGNTJFZ-OAQYLSRUSA-N 396.351 3.337 10 1 GGCF COc1cc2c3c(c4ccc(O)c(O)c4c2cc1OC)[C@H](O)[C@@H]1CCC[N+]1([O-])C3 85949686 HDRPPSHMYKNMCX-DNRBXSNLSA-N 397.427 3.445 10 1 GGCF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccccc2O)NC(=S)N1 299860746 JTTNJQHNJLKBFG-MRXNPFEDSA-N 396.497 3.433 10 1 GGCF COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(N)cc4)c3n2)cc1Cl 1857619356 PPVPPYFRCTWNJF-UHFFFAOYSA-N 394.822 3.164 10 1 GGCF C/C(=C\C(=O)O)c1ccc(N2CCOCC2)c(-n2cc(-c3ccccc3)nn2)c1 1857593033 GGVLVRLIVVEUNN-DTQAZKPQSA-N 390.443 3.259 10 1 GGCF Cc1nc2c(C(=O)N3CCCC3)cnn2c(O)c1Cc1ccc(F)cc1Cl 13750141 BVUKWZKEGIHDOQ-UHFFFAOYSA-N 388.830 3.363 10 1 GGCF COc1cc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1 40894874 KDDXZFUQNCRZCD-VGOFMYFVSA-N 393.226 3.472 10 1 GGCF COc1ccc(N[C@H]2[C@H]3C(=O)C(=O)c4ccccc4[C@@H]3OC2(C)C)c([N+](=O)[O-])c1 45287266 LPJIUFZAZCYEPO-VDGAXYAQSA-N 396.399 3.316 10 1 GGCF CN(C)CCNc1ccc(Cl)c2c1C(=O)c1c(Cl)ccc(O)c1C2=O 29407841 LCISZZTWORBIMZ-UHFFFAOYSA-N 379.243 3.448 10 1 GGCF C[C@]1(c2ccc(N3CCCCC3)c(N)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962891374 DQSBLNGJCZFELG-PGRDOPGGSA-N 383.467 3.261 10 1 GGCF COc1ccc([C@@H](NC(C)=O)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1OC 4957188 HHDLTWRHUPIVKJ-GOSISDBHSA-N 397.387 3.091 10 1 GGCF COC(CCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2)OC 95581762 VKKFTDBEZIIQBN-UHFFFAOYSA-N 394.383 3.130 10 1 GGCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 169690289 RREYRSQFRXAEIL-RBDSIQFVSA-N 389.473 3.265 10 1 GGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 586949298 SJOQLKMUMNWSOI-UHFFFAOYSA-N 387.339 3.206 10 1 GGCF O=C(CNC(=O)c1ccco1)/N=N\c1c(O)[nH]c2ccc(Br)cc12 96902143 NHFVDVIRIUZDGD-VXPUYCOJSA-N 391.181 3.269 10 1 GGCF NC[C@@]1(c2ccccc2O)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962623367 CWHLUUVKDOPHKH-OFVILXPXSA-N 385.511 3.341 10 1 GGCF CCCn1cc2c3c(cccc31)[C@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 40374072 POHMGMFALGPTQS-MHVGAEQCSA-N 384.520 3.324 10 1 GGCF CN(C)CCNC(=O)c1cccc2nc3ccc4c(N(C)C)cccc4c3nc12 27846559 DOARFNKQLWLGLK-UHFFFAOYSA-N 387.487 3.294 10 1 GGCF O=C(O)CN1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)SC1=S 1639619 HYOWOVPPXHUVJI-JYOAFUTRSA-N 397.275 3.216 10 1 GGCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 4201043 RREYRSQFRXAEIL-BVIHXZOGSA-N 389.473 3.265 10 1 GGCF Cc1oc2c3c(ccc2c(=O)c1Br)C(=O)c1cccc(O)c1C3=O 29038295 JPYHUWKOCXGECS-UHFFFAOYSA-N 385.169 3.345 10 1 GGCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc4c(c3F)OCO4)C2)cc1 1772649017 KQBXZIRSTFYWLH-SUMWQHHRSA-N 386.423 3.409 10 1 GGCF O=C1c2cc([N+](=O)[O-])sc2C(=O)c2c(-c3ccccc3[N+](=O)[O-])ccnc21 1857745456 YVONITICCAJSOD-UHFFFAOYSA-N 381.325 3.402 10 1 GGCF CCN(CC)C(=O)CSc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 103264535 MYFZUCPFUICLLN-UHFFFAOYSA-N 393.468 3.299 10 1 GGCF COC(=O)[C@]12CCCC(C)(C)[C@H]1C(=O)[C@@H](O)c1cc(C(C)C)c(O)c(O)c12 2356598058 DEWFEGAYVMERFF-KLHJMIIUSA-N 376.449 3.074 10 1 GGCF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(N2CCN(C)CC2)cc1 963068957 QXPCMXDVZGVTON-HSZRJFAPSA-N 388.515 3.230 10 1 GGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(=N)[nH]c(Cl)c-3n1)[C@H]1CC=C[C@H]21 587272228 QEOKPOKXZXYBFH-KWBADKCTSA-N 397.826 3.414 10 1 GGCF Oc1ccc(C=CO[C@H]2[C@H](O)CC[C@H]2OC=Cc2ccc(O)c(O)c2)cc1O 2356394771 HQXMJYFFQYYWMB-UIFIKXQLSA-N 386.400 3.076 10 1 GGCF Nc1cc(C(=O)O)cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587252070 UXSKDEPGNQXOQB-UHFFFAOYSA-N 383.363 3.286 10 1 GGCF COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 169686779 SRWNKGYXOWZYBF-YIKOMLBNSA-N 391.489 3.489 10 1 GGCF OCCN(CCO)c1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1 963119502 GXIVPYTXCSSAJO-IBGZPJMESA-N 381.303 3.020 10 1 GGCF CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ncncc3[nH]2)cc1 17190713 ZXQFQIDJLSHVFM-PDGQHHTCSA-N 384.443 3.347 10 1 GGCF Oc1ccc(CN(Cc2ccc(O)c(O)c2)c2ccc3c(c2)OCO3)cc1O 43025436 FQPNWTQWSMOJRB-UHFFFAOYSA-N 381.384 3.445 10 1 GGCF Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 117853924 HPUOXERGZUDYRB-SFHVURJKSA-N 386.883 3.085 10 1 GGCF CN(CCO)c1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587193043 QKYNAWIPQGSSQL-UHFFFAOYSA-N 381.661 3.469 10 1 GGCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2)cc1 1772640300 NRVASVSBQXQAMD-MGPUTAFESA-N 382.460 3.313 10 1 GGCF COc1ccc(CN[C@H](C)c2nc(O)c3cnn(C4CCCC4)c3n2)c(O)c1 1857598230 DPPSRHLQBYNNJP-GFCCVEGCSA-N 383.452 3.212 10 1 GGCF O=C(O)[C@H](C(=O)C(=O)[C@H](C(=O)O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1616409 ZXNIDWWQGOKFMH-OKILXGFUSA-N 395.194 3.168 10 1 GGCF COC(OC)[C@@H](C)Cc1cc(O)c(O)c(Br)c1Br 13450186 WSWTXZHEMKTFIU-LURJTMIESA-N 384.064 3.420 10 1 GGCF biogenic O=[N+]([O-])C(/N=N/c1ccccc1F)=C1\NCCN1Cc1ccc(Cl)nc1 103212626 QRECRHNHTAUQAA-DYUKIBRESA-N 376.779 3.467 10 1 GGCF CCNC(=O)Oc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1N2C 169341030 SFIBKJIWAVKWLQ-HXUWFJFHSA-N 390.443 3.423 10 1 GGCF Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1c(Cl)cc([N+](=O)[O-])cc1Cl 169688967 GQSXZHHETNYLBN-FOCLMDBBSA-N 375.197 3.207 10 1 GGCF NS(=O)(=O)c1ccc(/N=N/[CH-]c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 169728225 KDZJUJCWAHFSLC-FMQUCBEESA-N 385.381 3.395 10 1 GGCF CCCn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@H](C)[C@H](C)O)CN(C)[C@H]1C2 253634153 POHMGMFALGPTQS-RWTSRCFDSA-N 384.520 3.324 10 1 GGCF COC[C@]1(c2ccc(O)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587797885 YJAYRDVKXCKLLN-MLCYQJTMSA-N 396.256 3.424 10 1 GGCF CN(CCO)c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 587193049 QRRCHIASGNCVFX-UHFFFAOYSA-N 391.225 3.329 10 1 GGCF OC(O)[C@@]1(c2ccc(N3CCCCC3)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963112358 OZUZJHPONLVULP-ZJSXRUAMSA-N 396.506 3.391 10 1 GGCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)cc1[N+](=O)[O-] 587577115 QYVKWYKWJSKOBP-YLJYHZDGSA-N 395.323 3.415 10 1 GGCF COc1cc(O)cc2c1C(=O)c1c(cc3c(c1O)[C@@H]1CCC[C@](C)(O3)O1)C2=O 13374850 QZGXXZPRJHSVTD-QKVFXAPYSA-N 382.368 3.232 10 1 GGCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)c([N+](=O)[O-])c1 587575271 ILJWSKVQVSGCRL-JXFKEZNVSA-N 395.323 3.415 10 1 GGCF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(N3CCCC3)c([N+](=O)[O-])c1)NCC2 962923471 HTVRNCNWQKRQRP-OAQYLSRUSA-N 394.475 3.132 10 1 GGCF CN(C)CCNC(=O)c1cccc2nc3ccc4ccc([N+](=O)[O-])cc4c3nc12 27844576 GKZIGVCFZKBRFI-UHFFFAOYSA-N 389.415 3.136 10 1 GGCF C[C@H](OC(=O)CCCC(=O)O)c1cc2c(s1)C(=O)c1sccc1C2=O 28893941 CPVFRJNRDGSUBA-QMMMGPOBSA-N 378.427 3.444 10 1 GGCF O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc(C(F)(F)F)cc1 40977373 QRIAVGWVUUQLHO-UHFFFAOYSA-N 389.340 3.095 10 1 GGCF COC(=O)c1c2c(nc3ccccc13)-c1cc(OC)c(OC)c(OC)c1C2=O 95588916 TZDBMXMGYZVXMG-UHFFFAOYSA-N 379.368 3.259 10 1 GGCF COc1cc(O)c([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1Cl 963221967 GEZIVRLKORVMFJ-LPHOPBHVSA-N 384.819 3.291 10 1 GGCF O=C1c2ccccc2C(=O)c2c1nc(C1CCCCC1)n2CCN1CCOCC1 1857638245 DSZCIUQPFWYMJH-UHFFFAOYSA-N 393.487 3.038 10 1 GGCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c1ccc(O)c2O 587404448 QKPCCLFXPBYRIA-QHCPKHFHSA-N 387.391 3.442 10 1 GGCF Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccc3c(n2)CCC3)n1 209428118 YKEDKEJZASEPHA-MSOLQXFVSA-N 388.471 3.217 10 1 GGCF O=C(CNC(=O)c1ccco1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 96902144 NHFVDVIRIUZDGD-FMQUCBEESA-N 391.181 3.269 10 1 GGCF Cc1cc2c(c3oc([C@@H](C)[C@H](C)O)cc(=O)c13)C(=O)c1c(O)cccc1C2=O 13369483 ONHCPBOKJBCMAX-QWRGUYRKSA-N 378.380 3.067 10 1 GGCF biogenic CCCCCCC(=O)OC[C@@]1(CO)C/C(=C/c2ccc(N(C)C)cc2)C(=O)O1 40836249 XNBAYTBTSHCVGX-CHMLTUNVSA-N 389.492 3.328 10 1 GGCF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc4c(c3)OC(F)(F)O4)C2)cc1 142310256 LBCREIIGWVWBNX-LBPRGKRZSA-N 390.386 3.473 10 1 GGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)nc(S)nc3[nH]1)[C@H]1CC=C[C@@H]21 587277425 VRVQAOSLQGRLCR-NRUUGDAUSA-N 396.432 3.390 10 1 GGCF COC(=O)c1c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2n1C 587429685 CJUPPOVBMOTANN-SZNDQCEHSA-N 377.396 3.462 10 1 GGCF COCCN1CCC[C@]2(CCN(C3CCN(c4ccc(OC)cc4)CC3)C2)C1 12305948 ZRKBAWRFZBWEOF-QHCPKHFHSA-N 387.568 3.098 10 1 GGCF COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 13661946 RYNSFZVUENDLBC-NJSLBKSFSA-N 393.395 3.231 10 1 GGCF COc1ccc([C@@H]2CC(=O)c3c(cc(O)c([C@@H]4CCCCN4)c3O)O2)cc1O 1772650617 ZHNNCVISWRKVOG-SJCJKPOMSA-N 385.416 3.333 10 1 GGCF CC(=O)[C@@H](Nc1c(O)cc(O)c(O)c1C[C@@H]1CCC[C@@H]2CCCC[C@H]21)C(=O)O 169717713 KNYBSGZAAJFNFA-UYAYXHRUSA-N 391.464 3.407 10 1 GGCF Oc1ccc2c(-c3ccccc3)noc2c1CN1CCN(C2=CC=C[CH]N2)CC1 2356447759 CQRJTQXKFKCCEQ-UHFFFAOYSA-N 387.463 3.481 10 1 GGCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c1ccc(O)c2O 587404447 QKPCCLFXPBYRIA-HSZRJFAPSA-N 387.391 3.442 10 1 GGCF Cc1cccc(C(=O)C[C@]2(c3ccccc3O)c3nn(C)cc3CCN2C)c1 963955709 RTHJKJNVBZQJIB-QHCPKHFHSA-N 375.472 3.439 10 1 GGCF O=C(C(=O)N1CCC(Cc2ccc(F)cc2)CC1)c1c[nH]c2cc(O)c(O)cc12 103228831 MWRBOUNSPDFZMY-UHFFFAOYSA-N 396.418 3.382 10 1 GGCF CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC=C3[C@@]21C)C(C)C 2356718927 KNIWRLJEMCZTRC-SUWCGCSTSA-N 389.492 3.272 10 1 GGCF Cc1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3cc(O)c(C(=O)O)cc23)cc1 617995178 CNYSWCSGWRTVAP-UHFFFAOYSA-N 375.362 3.058 10 1 GGCF CC[C@H](C)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 13369473 HXAZTNIVBVVFJS-JTQLQIEISA-N 378.380 3.280 10 1 GGCF biogenic Cc1ccc(NC(=O)OCCC[C@@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27716670 HICVCONEMFCHKF-FOIQADDNSA-N 388.464 3.447 10 1 GGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 586949611 WGKQXQBDZZYCCV-UHFFFAOYSA-N 387.339 3.206 10 1 GGCF COc1ccc(-c2cc(=O)c3cc(OC)c(O)c([C@@H]4CCC(=O)N4)c3o2)cc1 1857588064 MDAYPUNLRZXDDU-AWEZNQCLSA-N 381.384 3.134 10 1 GGCF COC(=O)c1c(O)c(O)cc2oc3c(Cl)c(C)c(Cl)c(O)c3c(=O)c12 2356790570 FSLHHSPNMZXVAD-UHFFFAOYSA-N 385.155 3.465 10 1 GGCF CCOC(OCC)c1cn(Cc2ccc3c(c2)C(=O)c2ccccc2C3=O)nn1 15933955 SDHPMWVIXKZSLB-UHFFFAOYSA-N 391.427 3.173 10 3 GGCF Nc1ccc(C(=O)Nc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)cc1 28766189 VDYHKXKEZZAQCE-UHFFFAOYSA-N 394.519 3.418 10 1 GGCF COc1ccc(C2=NN[C@]3(S2)C(=O)Nc2ccc(Br)cc23)cc1 28824738 AMMYZZBUHBTFKB-MRXNPFEDSA-N 390.262 3.261 10 1 GGCF O=C(CN1CCN(Cc2ccccc2)CC1)/N=N/c1c(O)[nH]c2ccccc12 101814231 REUZGBAVPYQCEW-WCWDXBQESA-N 377.448 3.302 10 1 GGCF COC(=O)[C@]12CCCC(C)(C)[C@@H]1C(=O)[C@@H](O)c1cc(C(C)C)c(O)c(O)c12 238764340 DEWFEGAYVMERFF-XERREHJYSA-N 376.449 3.074 10 1 GGCF CCOc1ccc([C@@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 1857564155 YLLAKPQTCZTGJR-HXUWFJFHSA-N 390.391 3.354 10 1 GGCF Cc1cc2c(o1)-c1c(c3ccccc3c(=O)n1CCCn1ccnc1)C(=O)C2=O 1772573926 RVUVFPIJQPYVEK-UHFFFAOYSA-N 387.395 3.236 10 1 GGCF COC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 1857616612 OVDLAFGACJNMLY-INIZCTEOSA-N 386.404 3.336 10 1 GGCF CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(=O)OC)nc4)s3)[nH]nc21 653836231 ONPITXFCVXGSDS-UHFFFAOYSA-N 395.444 3.107 10 1 GGCF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)c(O)c4)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356335735 DWZZUSPCPXZLJI-KOOLSLDXSA-N 382.456 3.107 10 1 GGCF CCc1cc(O)c2c(O)c3c(cc2c1C(=O)OC)C(=O)c1cccc(O)c1C3=O 13369107 SNPUAXHAZYUTDJ-UHFFFAOYSA-N 392.363 3.081 10 1 GGCF biogenic C[C@H](NC(=O)C1CC1)c1ccc(OC2CN(c3ccc4c(c3)OCCO4)C2)cc1 142311547 VSGJITIHJAYWNR-HNNXBMFYSA-N 394.471 3.313 10 1 GGCF CN(C1=NC(=O)/C(=C\c2ccc(N3CCNCC3)cc2)S1)c1ccccc1 206112448 IVPVDAZFSVBEDA-XDJHFCHBSA-N 378.501 3.203 10 1 GGCF NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(Cl)ccc1-2 28711247 YYSRYKDFLBMQIQ-UHFFFAOYSA-N 383.791 3.123 10 1 GGCF O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OCc1ccco1 26502063 GXUJPEIDPHAAPV-UHFFFAOYSA-N 398.503 3.463 10 1 GGCF CCOc1cc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)ccc1OC 473247986 KUMKADGMAWAHEJ-KQGZCTBQSA-N 395.502 3.404 10 1 GGCF CCN(CC)CCOc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1 473154407 HENINOYGWAYZHM-UHFFFAOYSA-N 385.416 3.297 10 1 GGCF COc1ccc2c(c1O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 13405302 DMFNBXZGZQLZMS-CQSZACIVSA-N 387.432 3.217 10 1 GGCF biogenic COc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 40894871 ZUBSUDRNEZDHJU-NTUHNPAUSA-N 393.226 3.472 10 1 GGCF O=C(O)CN1C(=O)/C(=C/c2cc(-c3ccc(Cl)cc3)on2)SC1=S 62233342 ODDOQLCOHJDCCA-SDQBBNPISA-N 380.834 3.281 10 1 GGCF Oc1ccc(-n2c(CCc3nnn[nH]3)ccc2-c2ccc(-n3ccnc3)cc2)cc1 68201299 HKRGIGIXHDPRJV-UHFFFAOYSA-N 397.442 3.334 10 1 GGCF Nc1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1C(=O)O 587250881 UWKZUKSPQSRZOV-UHFFFAOYSA-N 383.363 3.286 10 1 GGCF COc1cc(S(=O)(=O)/C=C/c2ccc(N(C)C)cc2)cc(OC)c1OC 1857653738 ARLJXYZELZHVRW-ZHACJKMWSA-N 377.462 3.223 10 1 GGCF CCOC(=O)c1c2c(n3cccc(Br)c13)C(=O)c1ncccc1C2=O 40379521 GKJOPTURMJPTTM-UHFFFAOYSA-N 399.200 3.049 10 1 GGCF CCN(CC)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2C)cc1 28647598 RKAXLMYEYIONRT-XUVXKRRUSA-N 379.460 3.009 10 1 GGCF COc1ccc(/C=C2\C(=O)N(C(=O)c3ccc(NC(C)=O)cc3)N=C2C)cc1 5842890 CAMRBUONNMLONU-UNOMPAQXSA-N 377.400 3.096 10 1 GGCF C[C@H]1[C@H]2C=C[C@@H]1[C@@H](c1c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc13)[C@@H]2C(=O)O 13099307 BSAMRWOMXJWVCE-IVURVGKYSA-N 394.379 3.251 10 1 GGCF COc1cc(O)c([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1Cl 963221989 GEZIVRLKORVMFJ-VQIMIIECSA-N 384.819 3.291 10 1 GGCF CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCc1cccnc1 2356838780 MDBLSIVLQQPVHP-MOPGFXCFSA-N 397.519 3.350 10 1 GGCF COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CNC(C)(C)C)c3O)O2)cc1O 653689028 NRAYALZXAFOKQG-KRWDZBQOSA-N 387.432 3.407 10 1 GGCF COc1cccc2cc3c(nc12)[C@H](c1ccc(N(C)C)cc1[N+](=O)[O-])NCC3 963065091 JIZIYHWDFYRWJW-NRFANRHFSA-N 378.432 3.453 10 1 GGCF CC(C)[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 13819471 MDSNXRGYFHICIH-HNNXBMFYSA-N 384.484 3.154 10 1 GGCF CCOc1ccc([C@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 1857564154 YLLAKPQTCZTGJR-FQEVSTJZSA-N 390.391 3.354 10 1 GGCF CN(C)c1ccc(C=C2C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)cc1 1857621786 LEEHWKOCBIRMNI-UHFFFAOYSA-N 383.835 3.068 10 1 GGCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CCCC2 5564695 RREYRSQFRXAEIL-JLUCKKNBSA-N 389.473 3.265 10 1 GGCF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccccc2O)NC(=S)N1 299860745 JTTNJQHNJLKBFG-INIZCTEOSA-N 396.497 3.433 10 1 GGCF CC(C)(C)n1nnnc1[C@H](c1cc(F)ccc1O)N1CCc2ccccc2C1 1772621991 INUCCZLYPXNWDV-IBGZPJMESA-N 381.455 3.421 10 1 GGCF COc1ccc(Cc2cn(C3CCN(Cc4ccc(N)cc4)CC3)nn2)cc1 1857597752 QMKXLFPSTICJKP-UHFFFAOYSA-N 377.492 3.297 10 1 GGCF CCCn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 29488391 POHMGMFALGPTQS-UNYZBHEASA-N 384.520 3.324 10 1 GGCF COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)c(OC)c1 95578483 JXFLFQAXIHSTKK-HXUWFJFHSA-N 399.491 3.053 10 1 GGCF O=C1C[C@@H](c2ccc(O)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2cnc[nH]2)C1 45256969 XPCJTIWXGFOXFM-RBUKOAKNSA-N 386.407 3.411 10 1 GGCF CN1CCc2cc(O)c(O)cc2[C@H]1Cc1cc(O)c(O)cc1Br 95556785 RBZMMMBIGFUNBS-CYBMUJFWSA-N 380.238 3.043 10 1 GGCF O=C1c2cccc(O)c2C(=O)c2c(-c3cc[n+](Cc4ccccc4)cc3)noc21 84714045 POOHSFBEZNVYMI-UHFFFAOYSA-O 383.383 3.158 10 1 GGCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c(O)cc1[N+](=O)[O-] 587577110 QYVKWYKWJSKOBP-FXAWDEMLSA-N 395.323 3.415 10 1 GGCF CCCCCN1CCc2nc(N3CCN(c4ccc(OC)cc4)CC3)ncc2C1 21640182 ZKRKGVRACYUJBE-UHFFFAOYSA-N 395.551 3.360 10 1 GGCF O=c1cc(N2CCc3[nH]nc(-c4cccnc4)c3C2)ccn1Cc1ccccc1 473086819 CWNOZEZGWKTAET-UHFFFAOYSA-N 383.455 3.244 10 1 GGCF Cc1nn(Cc2ccc(N)cc2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12 28524744 PIZIQVNOGFWZRN-UHFFFAOYSA-N 396.454 3.354 10 1 GGCF CN(C)CCNC(=O)c1cccc2c(N)c3cccc(Br)c3nc12 27731016 NROQPXQSDDINMC-UHFFFAOYSA-N 387.281 3.024 10 1 GGCF in-vivo CCO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23C[C@@H](O)CC(C)(C)[C@H]2[C@H]1OC3=O 2356435015 NYXQGVNPFGAHMA-GWRXRYBDSA-N 390.476 3.273 10 1 GGCF NS(=O)(=O)c1cc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)ccc1Cl 101735723 JXLDVHNKWRLKEQ-FMQUCBEESA-N 378.797 3.098 10 1 GGCF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN=[N+]=[N-] 13863362 OYKHLILMMFSQQP-PXNSSMCTSA-N 379.464 3.143 10 1 GGCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)c([N+](=O)[O-])c1 587575274 ILJWSKVQVSGCRL-UZLBHIALSA-N 395.323 3.415 10 1 GGCF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3c(F)ccc(F)c3O)N12 962663972 KHJOXXWEAHADIJ-DYESRHJHSA-N 384.382 3.407 10 1 GGCF Nc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(N)c1/N=N/c1ccc(F)cc1 98082204 ANRDPNNOJXFHDR-FMQUCBEESA-N 386.303 3.408 10 1 GGCF C/C=C(\C)C(=O)O[C@H]1C2=C(C)[C@H](OC)O[C@]2(OC)C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C 85691299 MEKWGZJWKCYLQM-LSTSDCDZSA-N 394.508 3.343 10 1 GGCF in-man O=C(NCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O 13491738 LKRBPDRFLUMHAI-UHFFFAOYSA-N 378.428 3.388 10 1 GGCF O=C(c1ccc(O)c(O)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655988 KJGPBTMJDQDCPN-UHFFFAOYSA-N 394.333 3.441 10 1 GGCF CO[C@@H]1Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 40575876 ZWAYHEUXGNTJFZ-ZZNNXKBLSA-N 396.351 3.337 10 1 GGCF CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(=O)O)nc4)s3)[nH]nc21 653799923 ILUNDOXROOQFGD-UHFFFAOYSA-N 381.417 3.018 10 1 GGCF O=C(O)Cc1cccc(-c2ccccc2OC(=O)c2cc(O)c(O)c(O)c2)c1 35273912 LBGKJHAXPFBMEW-UHFFFAOYSA-N 380.352 3.317 10 1 GGCF CC(=O)Oc1c(-c2ccc(O)c(O)c2)c(O)c(O)c2c1oc1cc(O)c(O)cc12 49088081 ITQQDEWZQMZXBV-UHFFFAOYSA-N 398.323 3.412 10 1 GGCF biogenic CN(CCO)c1ccc(-c2nc3cc(I)ccc3[nH]2)cc1 587192966 MXESVVHWWKQNIU-UHFFFAOYSA-N 393.228 3.263 10 1 GGCF O=C(c1ccccc1)C(C(=O)c1ccccc1)C1(O)C(=O)c2ccccc2C1=O 18086923 XKDMAXQFOGQBEO-UHFFFAOYSA-N 384.387 3.179 10 1 GGCF COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OCCCN=[N+]=[N-] 1857650410 SPJMOIHNBDEKBW-BQYQJAHWSA-N 386.408 3.111 10 1 GGCF CSc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12 28711241 CTAUUJOVIXYUKH-UHFFFAOYSA-N 395.440 3.192 10 1 GGCF COC(=O)c1cc([C@@H]2NCCc3c2sc(C)c3C)ccc1N1CCOCC1 963011390 PRBYSNLAVKZRHG-IBGZPJMESA-N 386.517 3.223 10 1 GGCF CCc1ccc(/C=C2\SC(N[C@@H](c3ccc(C)cc3)c3nn[nH]n3)=NC2=O)o1 28816700 FIHVKFOFMIQUDI-IZNAZMGOSA-N 394.460 3.013 10 1 GGCF O=[N+]([O-])c1cc(CN2CCN(c3ccc(F)cc3)CC2)c(O)c2ncccc12 84603592 PXRPVILOLZPQLK-UHFFFAOYSA-N 382.395 3.310 10 1 GGCF Cc1cc2c(o1)-c1c(c3ccccc3c(=O)n1CCCN1CCCC1)C(=O)C2=O 1772625503 SYTRZHOSWUBELD-UHFFFAOYSA-N 390.439 3.435 10 1 GGCF Nc1ccc(C2=NNC(=O)[C@H](Cc3ccccc3)c3cc4c(cc32)OCO4)cc1 29124320 XPSCWODCTJNSSK-LJQANCHMSA-N 385.423 3.206 10 1 GGCF COC(=O)Cn1c(O)c(/N=N/C(=O)c2ccc3c(c2)OCO3)c2ccccc21 18063023 NMQCZXSGLQLPOL-QZQOTICOSA-N 381.344 3.173 10 1 GGCF COc1ccc2cc1-c1cc(c(O)c(OC)c1OC)CCCCC(=O)C(=O)C2 14611802 ACTVOSXZOZQENN-UHFFFAOYSA-N 384.428 3.492 10 1 GGCF endogenous,in-man CC(=O)c1c2c(c(C)n1-c1ccccc1C(=O)O)C(=O)c1c(O)cccc1C2=O 13376832 ADYJKPPPZQUXSH-UHFFFAOYSA-N 389.363 3.168 10 1 GGCF biogenic OC(O)[C@@]1(c2ccc(N3CCCCC3)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963112356 OZUZJHPONLVULP-XUZZJYLKSA-N 396.506 3.391 10 1 GGCF N=c1[nH]c2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cc(O)c(O)c2s1 1857554584 PWKDVHKBILWNMD-UHFFFAOYSA-N 384.244 3.357 10 1 GGCF CN(C)CCNC(=O)c1cccc2nc3ccc4c([N+](=O)[O-])cccc4c3nc12 27851526 CHQHTDSEZJZYED-UHFFFAOYSA-N 389.415 3.136 10 1 GGCF Cc1ccccc1C(=O)NCCCC[C@H](C)NC[C@H](O)c1ccc(O)c(O)c1 27720788 JSWDYOOKAFWLGC-KKSFZXQISA-N 386.492 3.018 10 1 GGCF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(C)n(C)c(=O)c2)nc1 209439443 ZHLWNPGDGBRWCF-MSOLQXFVSA-N 376.460 3.345 10 1 GGCF CCCCCCC(=O)OC[C@]1(CO)C/C(=C/c2ccc(N(C)C)cc2)C(=O)O1 40836247 XNBAYTBTSHCVGX-ZAVKOYKVSA-N 389.492 3.328 10 1 GGCF CCOc1cc(Br)cc([C@H]2NCCc3c(C(=O)O)cccc32)c1O 963129485 FLNYNTSXZVNQFM-INIZCTEOSA-N 392.249 3.487 10 1 GGCF Cc1cc2c(cc1O)[C@](C)(c1c(F)ccc(C(F)(F)F)c1O)N[C@H](C(=O)O)C2 963527710 QHXUHMAHZPSJEG-SCLBCKFNSA-N 399.340 3.427 10 1 GGCF Cc1c(-c2ccc(N3CCN(C)CC3)cc2)n(C)c2nc(C(N)=O)cc(Cl)c12 1772644377 NRUZNJWVGOUCHT-UHFFFAOYSA-N 397.910 3.053 10 1 GGCF COc1ccc(N2CCN(CC[C@H](OC(N)=O)c3ccccc3)CC2)c(OC)c1 95578482 JXFLFQAXIHSTKK-FQEVSTJZSA-N 399.491 3.053 10 1 GGCF C[C@@H]1CN(C)C(=O)c2cc(N(C)C)ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95663031 UFFWTNVQGNGZDE-RDTXWAMCSA-N 391.512 3.089 10 1 GGCF COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 169686780 SRWNKGYXOWZYBF-BAESOJJISA-N 391.489 3.489 10 1 GGCF CC(C)(SCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(=O)O 586959870 RRVHAXLBXJQJOO-UHFFFAOYSA-N 380.425 3.435 10 1 GGCF CC=C(C)C(=O)O[C@@H]1C2=C(C)[C@H](OC)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C 2356582539 MEKWGZJWKCYLQM-GFMVIXLISA-N 394.508 3.343 10 1 GGCF O=C(c1cccc([N+](=O)[O-])c1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21 3834100 GUKOVPYZXBZJOE-UHFFFAOYSA-N 380.312 3.214 10 1 GGCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(N)=O)cc2F)cc1 73279962 JSIQQGRRWTVSKV-UHFFFAOYSA-N 382.391 3.408 10 1 GGCF Oc1ccc([C@H]2Oc3c(c(O)cc4oc5cc(O)c(O)cc5c34)C[C@@H]2O)cc1O 238776920 HZIPWFRHYVQIAX-OXJNMPFZSA-N 396.351 3.151 10 1 GGCF CC(C)CCNC(=O)[C@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])ccc1O 1548795 XNJFAHNSBMXYTD-IBGZPJMESA-N 385.464 3.164 10 1 GGCF CCOC(=O)Nc1cc2c(c(N)n1)N=C(CN(C)c1ccc(OC)cc1)[C@@H](C)N2 26954952 FIFBPQMPYUTVAO-GFCCVEGCSA-N 398.467 3.264 10 1 GGCF [N-]=[N+]=NCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CN=[N+]=[N-])ccc1-2 653790881 ABPIBWBQXNRMMP-UHFFFAOYSA-N 376.336 3.396 10 1 GGCF Cc1cc(=O)[nH]c(/N=N/Cc2c(O)n(-c3ccccc3)c(=O)c3ccccc23)n1 169689098 URLONHQDNBTLEB-YYDJUVGSSA-N 387.399 3.372 10 1 GGCF CC(=O)N1N=C(c2c(O)ccc3c(C)cc(=O)oc23)C[C@@H]1c1ccccc1O 84704648 FZGQCKZLWZZMAW-MRXNPFEDSA-N 378.384 3.210 10 1 GGCF COc1ccc(N2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)cc1 205114455 AOZHPFOUJABOFB-UHFFFAOYSA-N 386.292 3.447 10 1 GGCF CC1=NC(=O)N[C@H](c2ccc(N3CCOCC3)cc2)[C@H]1C(=O)c1ccccc1 169693164 IYKKIDZEHLHHSI-VQTJNVASSA-N 377.444 3.248 10 1 GGCF Cc1cc(Br)cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 586948100 CEDHWCPRNAIFMF-UHFFFAOYSA-N 396.266 3.378 10 1 GGCF c1cc(Cn2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc32)c2nonc2c1 43019314 HCAPOHVIWWCHEQ-UHFFFAOYSA-N 399.458 3.409 10 1 GGCF C[C@@]1(c2ccc(N3CCCCC3)c(N)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962891371 DQSBLNGJCZFELG-AVRDEDQJSA-N 383.467 3.261 10 1 GGCF Cc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3cc(O)c(C(=O)O)cc23)cc1 103939915 CNYSWCSGWRTVAP-VHEBQXMUSA-N 375.362 3.058 10 1 GGCF COC(=O)C[C@@]1(c2ccc(OC)cc2O)c2c(F)cccc2C[C@H]2CCCN21 963111081 WEMGKVDFIFSFHY-IVZQSRNASA-N 385.435 3.367 10 1 GGCF NCCNS(=O)(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26836578 VTZDGMMGVUAOBL-UHFFFAOYSA-N 392.484 3.369 10 1 GGCF NC1=N[C@@](c2ccncc2)(c2cc(-c3cncnc3)ccc2O)c2cccc(F)c21 299851163 AHLSMWMHWYXLKD-HSZRJFAPSA-N 397.413 3.394 10 1 GGCF CO[C@H]1Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 40575874 ZWAYHEUXGNTJFZ-XAFBZQIESA-N 396.351 3.337 10 1 GGCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CNc3ncccc3[N+](=O)[O-])[nH]c21 587269591 VHPYHMJWUIZAQA-UHFFFAOYSA-N 399.366 3.254 10 1 GGCF O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OCc1ccoc1 26500692 PKKMFLCZLGWYDZ-UHFFFAOYSA-N 398.503 3.463 10 1 GGCF O=C(O)CCn1c2c(c3ccc(Br)cc3c1=O)C(=O)c1ccccc1-2 95582964 UWWOHWATJYHZPP-UHFFFAOYSA-N 398.212 3.450 10 1 GGCF COc1ccc([C@H]2CC(=O)c3c(cc(O)c([C@@H]4CCCCN4)c3O)O2)cc1O 1772650619 ZHNNCVISWRKVOG-YVEFUNNKSA-N 385.416 3.333 10 1 GGCF CC(C)(C)OC(=O)/C=C/c1ccnc2c1C(=O)c1sc([N+](=O)[O-])cc1C2=O 1857635899 ZPQVFBRJOSHZPZ-SNAWJCMRSA-N 386.385 3.182 10 1 GGCF O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCc1ccccc1)c1ccccn21 473120540 OEBNCTBGYQJDAX-UHFFFAOYSA-N 395.418 3.082 10 1 GGCF NS(=O)(=O)c1cc(C(=O)/N=N\c2c(O)[nH]c3ccccc23)ccc1Cl 13637570 JXLDVHNKWRLKEQ-VXPUYCOJSA-N 378.797 3.098 10 1 GGCF Cc1c(CCOCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1 95587672 BXMYDSKKAKYONI-UHFFFAOYSA-N 399.512 3.408 10 1 GGCF O=C(O)CN1C(=O)/C(=C/c2cc3cc(F)ccc3nc2Cl)SC1=S 1772581787 POESTPNCHTZJNJ-WZUFQYTHSA-N 382.825 3.313 10 1 GGCF C[C@H](CCCCC(=O)NC1CCCCC1)NC[C@H](O)c1ccc(O)c(O)c1 27555998 RISRKRAMYMWNQP-QRWLVFNGSA-N 378.513 3.119 10 1 GGCF CN1C(=O)C[C@@H]2CN[C@@](c3ccccc3)(c3ccc(O)cc3O)c3cccc1c32 963032638 SCTIOAOZNOWKLW-MYYSRTQBSA-N 386.451 3.443 10 1 GGCF c1cncc(-c2cn3ccnc3c(NCc3ccc(N4CCOCC4)cc3)n2)c1 64527382 ABNYKWSAFFCSSJ-UHFFFAOYSA-N 386.459 3.240 10 1 GGCF COc1cc2c3c(c1)O[C@H](c1cc(O)c(O)c(Br)c1)[C@@H](C2)C3=O 587412508 IMGZRVQXMQPQID-DYZYQPBXSA-N 377.190 3.358 10 1 GGCF Clc1cccc(N2Cc3cc(N4CCOCC4)ccc3-n3nncc3C2)c1 72139509 TYMKJQVTQRRUSB-UHFFFAOYSA-N 381.867 3.278 10 3 GGCF CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 101862873 RREYRSQFRXAEIL-FIXIBIHLSA-N 389.473 3.265 10 1 GGCF Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(OCCF)cc3)CC1)CC2 103268395 WYXKJCLEMKQLEU-OAQYLSRUSA-N 386.467 3.256 10 1 GGCF COC(=O)[C@H](C)CCC[C@H](C)[C@@H]1c2cc(C(=O)O)c(O)c(O)c2[C@@H](C)C[C@@H]1O 2356850835 QAXGJLBRJMSWEY-WORXLNIRSA-N 394.464 3.363 10 1 GGCF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OCC4CC4)cc3)C2)cn1 142196906 BJRPVKZEXUKALG-HNNXBMFYSA-N 381.476 3.335 10 1 GGCF COc1cc(CC[C@@H]2C[C@H](O)C[C@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 13340614 YYPVGAJJYQQFMX-HDMKZQKVSA-N 390.432 3.034 10 1 GGCF endogenous,in-man O=C(c1ccc(O)c(O)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659991 LWFIFCDLTIDEGH-UHFFFAOYSA-N 376.343 3.302 10 1 GGCF Cc1ccc(/C=C2/SC(=S)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 45261955 WOBXUYZBHTYVAP-XNTDXEJSSA-N 390.511 3.048 10 1 GGCF CCOC(=O)c1c2c(n(-c3ccc(Cl)cc3)c1N)C(=O)c1ncccc1C2=O 40411286 BBTCYBOHEHLIOL-UHFFFAOYSA-N 395.802 3.060 10 1 GGCF CCOC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 64447996 AWJBESKRLWTUMV-JOCHJYFZSA-N 389.455 3.351 10 1 GGCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)NCCO)CCCC(C)(C)[C@@H]1CC2 1857570948 FBRRZGPNECNWQR-KSFYIVLOSA-N 375.509 3.340 10 1 GGCF CCOC(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1ncccc1C2=O 72119636 XYNOFOVGDNVDOF-UHFFFAOYSA-N 399.200 3.049 10 1 GGCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc([N+](=O)[O-])ccc2N(C)[C@@H]31 95554219 LXQSWPMPXKBXCA-LJQANCHMSA-N 378.388 3.232 10 1 GGCF CC(C)CCNC(=O)[C@@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])ccc1O 29315625 XNJFAHNSBMXYTD-LJQANCHMSA-N 385.464 3.164 10 1 GGCF Nc1ccc(CC(=O)N[C@H]2C[C@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1 13455271 ACCMQYNBAWCWPP-LSDHHAIUSA-N 394.258 3.244 10 1 GGCF CC(C)c1cc(C(=O)N2Cc3ccc(N4CCN(C)CC4)cc3C2)c(O)cc1O 58574727 YYVAXCVMFDJHBF-UHFFFAOYSA-N 395.503 3.129 10 1 GGCF COc1ccc(N[C@@H]2[C@H]3C(=O)C(=O)c4ccccc4[C@@H]3OC2(C)C)c([N+](=O)[O-])c1 45287264 LPJIUFZAZCYEPO-FFZOFVMBSA-N 396.399 3.316 10 1 GGCF COc1c(O)c(O)cc2c1C=C[C@H]1[C@@H]2O[C@H](CCc2ccc(O)cc2)C[C@H]1O 2356614899 MRAZKNYBEBHXTG-OQBJRAFVSA-N 384.428 3.279 10 1 GGCF CCOc1cc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)ccc1OC 473247987 KUMKADGMAWAHEJ-MZLJFPOFSA-N 395.502 3.404 10 1 GGCF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(O)cc1)(c1ccc(O)c(O)c1O)O2 587404118 NJEKBZQQBVDIKA-QFIPXVFZSA-N 393.395 3.309 10 1 GGCF O=c1nc(CSC(=S)NCc2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 209490317 PVAMUIOHSVHYGF-UHFFFAOYSA-N 386.458 3.139 10 1 GGCF CCCn1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@H]1C2 29488388 POHMGMFALGPTQS-UHRLKCEPSA-N 384.520 3.324 10 1 GGCF O=C(/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)N1CCOCC1 1857648245 JVXCLWISZLUWPN-ZZXKWVIFSA-N 381.384 3.089 10 1 GGCF O=C1N=C(N[C@H](CO)Cc2ccccc2)S/C1=C\c1ccc2ncccc2c1 28821312 KKCUZFMLJMQYMJ-YNGKYYQNSA-N 389.480 3.398 10 1 GGCF COc1ccc(N2CCN(C(=O)c3cc4cc(C(C)=O)ccc4[nH]3)CC2)cc1 144879390 KRGVYBFVCTWSKJ-UHFFFAOYSA-N 377.444 3.342 10 1 GGCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CN(C)C)cc3)C2)cc1 142346140 RMTRQVMMQGOREW-KRWDZBQOSA-N 397.519 3.092 10 1 GGCF COc1ccc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(Cl)nc2c1 1772629836 QAZOQRBFOKJXBC-XGICHPGQSA-N 394.861 3.183 10 1 GGCF CCN(CC)Cc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O 29344977 OIGZSAAWJGJYBP-UHFFFAOYSA-N 383.444 3.330 10 1 GGCF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)[C@H](OC)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C 257481436 MEKWGZJWKCYLQM-ZABCQZSLSA-N 394.508 3.343 10 1 GGCF endogenous,in-man C[N+](C)(C)CCCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)ccc2c1=O 27206449 FCONOAYBLOTJBT-UHFFFAOYSA-O 386.424 3.052 10 1 GGCF COC[C@@]1(c2ccc(O)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796667 UGQARMPGSCJAMW-YPMLDQLKSA-N 396.256 3.424 10 1 GGCF COC(=O)c1cc([C@H]2NCCc3c2sc(C)c3C)ccc1N1CCOCC1 963011392 PRBYSNLAVKZRHG-LJQANCHMSA-N 386.517 3.223 10 1 GGCF Cc1nc(/N=N/c2ccc(C(=O)O)cc2)c2c(c1O)CO[P@@](=O)(O)OC2 13861580 KLTOCDPOEZRFBY-ISLYRVAYSA-N 379.265 3.356 10 1 GGCF C[C@@H](/N=N/c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1)c1ccccc1 169686076 IZILBHQYAZKAKW-INRROWENSA-N 388.431 3.317 10 1 GGCF Nc1ccc(CN2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 103254239 HJKLIWJZFMLKLP-UHFFFAOYSA-N 392.327 3.035 10 1 GGCF CC1(C)C=Cc2c(c(CCO)c3occ(-c4ccc(O)c(O)c4)c(=O)c3c2O)O1 36375284 QIIJYCXWBRXANB-UHFFFAOYSA-N 396.395 3.296 10 1 GGCF COc1ccc2c(c1O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 13405306 DMFNBXZGZQLZMS-AWEZNQCLSA-N 387.432 3.217 10 1 GGCF biogenic CC(C)S(=O)(=O)c1c(Cl)ccc(N=c2nc(-c3ccccc3)[nH][nH]2)c1O 1857589298 RPIZWOPUYCDULD-UHFFFAOYSA-N 392.868 3.178 10 1 GGCF C/C=C/c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)Cc1ccncc1)[C@@H](CO)N2C 95878158 PSTQWHSPUUOHFI-PGFIRXGVSA-N 377.488 3.058 10 1 GGCF C[C@@]1(c2ccc(Br)c(F)c2O)N[C@H](C(=O)O)Cc2cc(F)ccc21 962915316 VHOWRPXJJYOVKO-SUMWQHHRSA-N 398.203 3.295 10 1 GGCF COc1ccc(C=C2C(=O)N(CC(C)C)C(=O)N(CC(C)C)C2=O)cc1OC 299868441 ZZGDOUCOOJRKKS-UHFFFAOYSA-N 388.464 3.190 10 1 GGCF OC(O)[C@]1(c2ccc(N3CCCCC3)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963112354 OZUZJHPONLVULP-URXFXBBRSA-N 396.506 3.391 10 1 GGCF O=C(OCCCCCCOC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 49803810 QYFNSLNMLBHCHL-UHFFFAOYSA-N 390.388 3.083 10 1 GGCF O=S(=O)(Nc1cc(Sc2nnn[nH]2)c(O)c2ccccc12)c1ccccc1 84758020 CUTIUJWDOSPSRG-UHFFFAOYSA-N 399.457 3.011 10 1 GGCF C[C@@H](Cc1cc(O)c(O)cc1[N+](=O)[O-])[C@H](C)Cc1cc(O)c(O)cc1[N+](=O)[O-] 13474190 FYRRTSVQMATNSC-AOOOYVTPSA-N 392.364 3.383 10 1 GGCF CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@H]2CC=C3C(=O)OC=C3[C@@]12C)C(C)C 2356718925 KNIWRLJEMCZTRC-QSNWEANLSA-N 389.492 3.272 10 1 GGCF COc1ccc(N(C)CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 205943157 HNAJEKAVHQELJQ-UHFFFAOYSA-N 392.503 3.071 10 1 GGCF Oc1ccc(-c2nnc(-c3cc(O)c(O)cc3Br)s2)cc1O 142490300 SPTMWXCCWRKNJJ-UHFFFAOYSA-N 381.207 3.457 10 1 GGCF COC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 1857616613 OVDLAFGACJNMLY-MRXNPFEDSA-N 386.404 3.336 10 1 GGCF COC(=O)[C@H](C)CCC[C@H](C)[C@@H]1c2cc(C(=O)O)c(O)c(O)c2[C@@H](C)C[C@H]1O 2356850834 QAXGJLBRJMSWEY-SCYJSFNGSA-N 394.464 3.363 10 1 GGCF Cc1cccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1 13680679 SCAMZZLGFBVBKM-PTNGSMBKSA-N 390.511 3.090 10 1 GGCF c1ccc(CN2CCN(CCCn3c4c(c5ccccc53)CCNC4)CC2)cc1 1857539439 LXOMTYFLONFKFM-UHFFFAOYSA-N 388.559 3.495 10 1 GGCF COc1ccc(N2CCN(Cc3ccc4oc(=O)cc(OC)c4c3)CC2)cc1 40834506 DJDQKHQRGCLRAU-UHFFFAOYSA-N 380.444 3.132 10 1 GGCF COC(=O)C(=O)C[C@]1(c2ccccc2O)c2cc(OC)ccc2CCN1C(C)C 962085369 AAKCJMIKKYMPME-QHCPKHFHSA-N 397.471 3.043 10 1 GGCF COC(=O)c1ccc(OCC(COc2ccc(C(=O)OC)cc2)N=[N+]=[N-])cc1 2178320110 HYIOLMVUJDRPIU-UHFFFAOYSA-N 385.376 3.397 10 1 GGCF O=C(O)[C@H](C(=O)C(=O)[C@@H](C(=O)O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1616411 ZXNIDWWQGOKFMH-KBPBESRZSA-N 395.194 3.168 10 1 GGCF O=C1c2ncccc2C(=O)c2c(-c3ccccc3NC(=O)C(F)(F)F)ccnc21 3933024 MNBDHAXJFRIQPS-UHFFFAOYSA-N 397.312 3.420 10 1 GGCF O=C(O)C[C@H]1CCN(Cc2ccccc2O)C[C@@H]1Cc1nc2ccccc2[nH]1 2356457338 MTAHIUUTXKNSNS-WBVHZDCISA-N 379.460 3.424 10 1 GGCF Cn1cccc1CN1CCc2sccc2[C@H]1c1cc(C=O)c(O)c(O)c1O 962399434 PSMOTQBWKSBNPQ-KRWDZBQOSA-N 384.457 3.164 10 1 GGCF CC(C)C(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl 49068036 NUZAARCKGCFLIV-UHFFFAOYSA-N 389.769 3.188 10 1 GGCF CCCCO[C@H](c1ccc(O)c(O)c1)[C@H](O)CCC(=O)c1ccc(O)c(O)c1 2356670174 CGFWUMHPCIBEFX-WIYYLYMNSA-N 390.432 3.391 10 1 GGCF Cc1ccc(C(=O)NCCCC[C@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27715149 OCXYFOOXDLXCHJ-KKSFZXQISA-N 386.492 3.018 10 1 GGCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4c([N+](=O)[O-])cc([N+](=O)[O-])cc34)[C@H]21 95555631 MNEKLQPLEVYQNS-SFHVURJKSA-N 393.359 3.131 10 1 GGCF CC1=NN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2cc(Cl)ccc2O)C1 653730204 IGSMNYHPEKYRPJ-HNNXBMFYSA-N 395.824 3.465 10 1 GGCF Cc1cc(O)c([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(O)c1 962670937 RIESOPQAMOYZDE-DHIUTWEWSA-N 392.455 3.317 10 1 GGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cccc(Br)c3[nH]2)c1 586948025 BJQIKDRARBWOLD-UHFFFAOYSA-N 382.239 3.070 10 1 GGCF CC(C)c1nn(C)c2c1[C@@H](c1ccc(I)cc1O)NCC2 962916141 IXYPYRWYIUGLOV-MRXNPFEDSA-N 397.260 3.089 10 1 GGCF COc1ccc([C@H]2CC(=O)c3c(cc(O)c([C@H]4CCCCN4)c3O)O2)cc1O 1772650618 ZHNNCVISWRKVOG-SJKOYZFVSA-N 385.416 3.333 10 1 GGCF CCN(CC)CCCNc1ccc2ncnc3c2c1C(=O)c1c(O)ccc(O)c1-3 27106959 MMESJMQYVFHVGD-UHFFFAOYSA-N 392.459 3.396 10 1 GGCF CCOc1ccc(-c2c3c(nc4nc(O)[nH]c(=O)c24)-c2ccccc2C3=O)cc1 71329445 JPVUUQJZKKUTMP-UHFFFAOYSA-N 385.379 3.301 10 1 GGCF Cc1ccccc1C(=O)NCCCC[C@@H](C)NC[C@@H](O)c1ccc(O)c(O)c1 27720781 JSWDYOOKAFWLGC-IIBYNOLFSA-N 386.492 3.018 10 1 GGCF COc1ccc(N2CCN(C(=O)c3cc4cc(C(C)=O)ccc4[nH]3)CC2)cc1F 144850461 HSXCUXNNSFVXBU-UHFFFAOYSA-N 395.434 3.481 10 1 GGCF COC(=O)C[C@]1(c2ccc(OC)cc2O)c2c(F)cccc2C[C@H]2CCCN21 963111092 WEMGKVDFIFSFHY-QRQCRPRQSA-N 385.435 3.367 10 1 GGCF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3c(F)ccc(F)c3O)N12 962663981 KHJOXXWEAHADIJ-UTKZUKDTSA-N 384.382 3.407 10 1 GGCF CN1CCc2c(Br)cccc2[C@H]1c1cc(S(C)(=O)=O)ccc1O 963281316 RHBVGEPWAQCHAO-KRWDZBQOSA-N 396.306 3.136 10 1 GGCF O=C(/C=C/c1ccncc1)Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 1911576623 SNWTVGRUWMRTQH-LZCJLJQNSA-N 391.383 3.103 10 1 GGCF COc1ccc(N[C@@H]2[C@H]3C(=O)C(=O)c4ccccc4[C@H]3OC2(C)C)c([N+](=O)[O-])c1 299811022 LPJIUFZAZCYEPO-PWIZWCRZSA-N 396.399 3.316 10 1 GGCF COc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)cc(CC(=O)O)c2C)cc1 45384684 GKKGNVILYJJBKM-UHFFFAOYSA-N 399.468 3.492 10 1 GGCF COc1ccc2c(c1)CCCN2CCC(=O)N1CCN(c2ccccc2C)CC1 1857591666 QQGCAGRRBJCDSP-UHFFFAOYSA-N 393.531 3.495 10 1 GGCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c(O)cc1[N+](=O)[O-] 587577112 QYVKWYKWJSKOBP-PXNSSMCTSA-N 395.323 3.415 10 1 GGCF CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccc(OCCCN(C)C)nc3)cc21 205101075 VAKALZKSEVVSBR-UHFFFAOYSA-N 391.475 3.290 10 1 GGCF Cc1cc2c(o1)-c1c(c3ccccc3c(=O)n1CCCCN(C)C)C(=O)C2=O 1772598977 WALOAACOAMYVDU-UHFFFAOYSA-N 378.428 3.291 10 1 GGCF CNS(=O)(=O)c1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 13601077 AVPYNABDMYYIMV-UHFFFAOYSA-N 393.472 3.204 10 1 GGCF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)[C@H](OC)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C 257481435 MEKWGZJWKCYLQM-LNFJZASASA-N 394.508 3.343 10 1 GGCF endogenous,in-man Nc1ncc(Cl)nc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587086288 DUQZLDVCWFVYTL-UHFFFAOYSA-N 375.775 3.031 10 1 GGCF CCN(CC)Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(OC)c(O)c1)O2 653710313 SXTCTGIIUHINQA-SFHVURJKSA-N 387.432 3.360 10 1 GGCF COc1cc(O)c([C@@H]2NCCc3c2c(C(C)C)nn3C)cc1Br 962917149 LKQWOUMPNAESHO-KRWDZBQOSA-N 380.286 3.255 10 1 GGCF CC[C@](C)(O)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 13369475 SUGGWZIKECZBID-QFIPXVFZSA-N 378.380 3.200 10 1 GGCF biogenic Cc1cc2c(o1)-c1nc(OCCOCCN(C)C)c3ccccc3c1C(=O)C2=O 1772606460 HTUPDUWRJDPBCO-UHFFFAOYSA-N 394.427 3.139 10 1 GGCF [N-]=[N+]=N[C@H]1CO[C@@H](c2ccccc2)O[C@H]1[C@@H]1O[C@H](c2ccccc2)OCC1=O 2178320022 YPXBVBFZBDRJJT-CJSSEVFESA-N 381.388 3.463 10 1 GGCF COc1ccc(N2CCN(CCCCN3CCc4ccccc4C3=O)CC2)cc1 40915820 WGQZGJCCZRWHOF-UHFFFAOYSA-N 393.531 3.296 10 1 GGCF COC(=O)C(=O)c1c(-c2ccc(N3CCOCC3)cc2)[nH]c2cc(F)ccc12 587636711 FAUTVEZBPWDROC-UHFFFAOYSA-N 382.391 3.166 10 1 GGCF C/C=C/c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)Cc1cccnc1)[C@H](CO)N2C 95878863 NAOWZUCOFVWKRA-LQRYNWHISA-N 377.488 3.058 10 1 GGCF CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@H]2CC=C3C(=O)OC=C3[C@]12C)C(C)C 2356718924 KNIWRLJEMCZTRC-QLDGJZPUSA-N 389.492 3.272 10 1 GGCF COC(=O)C[C@]1(c2ccc(OC)cc2O)c2c(F)cccc2C[C@@H]2CCCN21 963111084 WEMGKVDFIFSFHY-NYHFZMIOSA-N 385.435 3.367 10 1 GGCF CN(C)CCNc1ccc(Cl)c2c1C(=O)c1c(O)ccc(Cl)c1C2=O 29406096 RCRAWLNFISUQAF-UHFFFAOYSA-N 379.243 3.448 10 1 GGCF O=C(O)Cc1ccc(-c2ccccc2NC(=O)Cc2ccc(O)c(O)c2O)s1 35275866 WFPXZTZOOKFHLC-UHFFFAOYSA-N 399.424 3.340 10 1 GGCF Cc1ccc(C(=O)NCCCC[C@@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27715143 OCXYFOOXDLXCHJ-IIBYNOLFSA-N 386.492 3.018 10 1 GGCF CC(=O)C[C@@]1(O)C(=O)c2ccccc2-c2oc3c(c21)C(=O)c1ccccc1C3=O 2356557029 XDEZKYVFAVCEJK-QHCPKHFHSA-N 386.359 3.085 10 1 GGCF COc1ccc(N2CCN(CC[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 29480327 YNZLMHORCYOAMN-IBGZPJMESA-N 390.911 3.301 10 1 GGCF Oc1ccc([C@@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1Br 27107177 RIOGXIDBSNULHA-NSHDSACASA-N 384.657 3.497 10 1 GGCF COc1ccc([C@H](NC(C)=O)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1OC 4957187 HHDLTWRHUPIVKJ-SFHVURJKSA-N 397.387 3.091 10 1 GGCF COc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2ccc(Br)cc23)cc1 28824737 AMMYZZBUHBTFKB-INIZCTEOSA-N 390.262 3.261 10 1 GGCF Cc1ccc(O)c([C@]2(C)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1 962625832 DAUAACIDGPCXHD-ACJLOTCBSA-N 381.350 3.462 10 1 GGCF O=C(O)CN1C(=O)/C(=C/c2ncc(-c3ccc(F)cc3)s2)SC1=S 13678254 XTQVCYLEIWYCNF-YHYXMXQVSA-N 380.447 3.235 10 1 GGCF O=c1cc(-c2ccccc2)oc2c(CN3CCC(CO)CC3)c(O)cc(O)c12 72124901 HJKHNOCKPCJDJX-UHFFFAOYSA-N 381.428 3.076 10 1 GGCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)C2=[N+]=[N-])N1 587742954 BWZVLDJBWZTJHT-XYZCENFISA-N 380.261 3.378 10 1 GGCF Cc1c(CC(=O)NC2CCCC2)c2cc(F)ccc2n1CCN1CCOCC1 1857563543 OLFBFLZVKHYBTB-UHFFFAOYSA-N 387.499 3.022 10 1 GGCF C/C=C(\C)C(=O)O[C@@H]1C2=C(C)[C@H](OC)O[C@]2(OC)C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C 257481437 MEKWGZJWKCYLQM-ZZSQTVTHSA-N 394.508 3.343 10 1 GGCF endogenous,in-man CC(C)(C)c1ccc(-n2c(Sc3ncc([N+](=O)[O-])s3)n[nH]c2=O)cc1 40394259 LHTVBKNKTAAFOP-UHFFFAOYSA-N 377.451 3.374 10 1 GGCF COC(=O)c1ccccc1OCC(COc1ccccc1C(=O)OC)N=[N+]=[N-] 2178320198 OFDBJQTULGVXKJ-UHFFFAOYSA-N 385.376 3.397 10 1 GGCF CN1CCN(Cc2cc(COCc3ccccc3)c3cccnc3c2O)CC1 22456779 VYDKIYBONPPDRB-UHFFFAOYSA-N 377.488 3.405 10 3 GGCF COc1ccc(C2=C(CCC(=O)O)[C@@H](c3ccccc3O)NC(=S)N2)cc1 64264583 ISXHAXIEYYTNQH-LJQANCHMSA-N 384.457 3.196 10 1 GGCF CCCCO[C@@H](c1ccc(O)c(O)c1)[C@H](O)CCC(=O)c1ccc(O)c(O)c1 238747749 CGFWUMHPCIBEFX-NQIIRXRSSA-N 390.432 3.391 10 1 GGCF CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 101862866 RREYRSQFRXAEIL-FKGLVLAHSA-N 389.473 3.265 10 1 GGCF O=C1NC(=S)S/C1=C\c1ccc(OCc2cn(-c3ccccc3)nn2)cc1 1857533822 TWFWBPAECNVTPQ-YVLHZVERSA-N 394.481 3.335 10 1 GGCF CCN(CC)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2C)cc1 28647608 RKAXLMYEYIONRT-SLFFLAALSA-N 379.460 3.009 10 1 GGCF COC[C@]1(c2ccc(O)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796666 UGQARMPGSCJAMW-XTZNXHDOSA-N 396.256 3.424 10 1 GGCF O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(O)c(O)c1 43073962 YMBPGRMJUFGZHN-UHFFFAOYSA-N 384.413 3.151 10 1 GGCF CCc1nc2ccc(Cl)cn2c1C(=O)NCCOc1ccc(N(C)C)cc1 1857601042 FXMLOVQDCMXKDU-UHFFFAOYSA-N 386.883 3.425 10 1 GGCF C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)Cc1cccnc1)[C@H](CO)N2C 95878861 NAOWZUCOFVWKRA-AWHYRPJTSA-N 377.488 3.058 10 1 GGCF C[C@H](NC(=O)CO)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149932223 ZHWXKEJQDIXLPY-INIZCTEOSA-N 380.488 3.249 10 1 GGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(=N)[nH]c(Cl)c-3n1)[C@H]1CC=C[C@@H]21 587272230 QEOKPOKXZXYBFH-NRUUGDAUSA-N 397.826 3.414 10 1 GGCF Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)N1CCOCC1 299849330 IKLKMFOIMSRZFD-UHFFFAOYSA-N 391.431 3.362 10 1 GGCF CN1C(=O)C[C@@H]2CN[C@](c3ccccc3)(c3ccc(O)cc3O)c3cccc1c32 963032643 SCTIOAOZNOWKLW-OYLFLEFRSA-N 386.451 3.443 10 1 GGCF COc1c(O)c(O)cc2c1CC[C@@H]1[C@H](O)C[C@H](CCc3ccc(O)cc3)O[C@@H]21 2356355181 DRKGWZUFBNVGCW-BHNHYPNCSA-N 386.444 3.198 10 1 GGCF COc1ccc2c(c1)CCN2Cc1[nH]c2ccc(OC)cc2c1CCNC(C)=O 40393041 QJOOZVDDOHEAGR-UHFFFAOYSA-N 393.487 3.426 10 1 GGCF COC(=O)[C@]12CCCC(C)(C)[C@@H]1C(=O)[C@H](O)c1cc(C(C)C)c(O)c(O)c12 238731367 DEWFEGAYVMERFF-YWMUFLPLSA-N 376.449 3.074 10 1 GGCF COc1cccc2c1ccc1nc3cccc(C(=O)N[C@@H]4CCN(C)C4)c3nc12 27857054 MILBGUOQLBJHGQ-CQSZACIVSA-N 386.455 3.379 10 1 GGCF CC(C)c1nn(C)c2c1[C@H](c1ccc(I)cc1O)NCC2 962916131 IXYPYRWYIUGLOV-INIZCTEOSA-N 397.260 3.089 10 1 GGCF O=C(CN1CCN(Cc2ccccc2)CC1)/N=N\c1c(O)[nH]c2ccccc12 22919843 REUZGBAVPYQCEW-VHXPQNKSSA-N 377.448 3.302 10 1 GGCF CCCn1c(O)c(P(=O)(OCC)OCC)c2c1C(=O)c1ccccc1C2=O 1857549412 BCLRMAITHRJWGF-UHFFFAOYSA-N 391.360 3.271 10 1 GGCF NC(=O)c1ccc2[nH]c(-c3ccc(N4CCN(c5ccccn5)CC4)cc3)nc2c1 38466556 GAEMJVIRBHBIAF-UHFFFAOYSA-N 398.470 3.050 10 1 GGCF C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C=O)c1[C@@H](OC(C)C)O2 28652543 BNFPYGWOFGPTQR-XJDXJNMNSA-N 388.372 3.388 10 1 GGCF in-vitro COc1ccccc1OC[C@H]1SCCN1C(=O)/C=C/c1ccc(O)c(O)c1 27625438 CBNIRCSLDOFYEF-FHVRUZERSA-N 387.457 3.100 10 1 GGCF Oc1cc2c(cc1O)CCN(C(=S)NCCc1ccc(Cl)cc1)CC2 29131874 GFNWWWUJZGWHRQ-UHFFFAOYSA-N 376.909 3.269 10 1 GGCF C[C@]1(c2ccc(Br)c(F)c2O)N[C@H](C(=O)O)Cc2cc(F)ccc21 962915314 VHOWRPXJJYOVKO-GUYCJALGSA-N 398.203 3.295 10 1 GGCF O=C1N=C(N[C@@H](CO)Cc2ccccc2)S/C1=C\c1ccc2ncccc2c1 28821311 KKCUZFMLJMQYMJ-RXWSAZGZSA-N 389.480 3.398 10 1 GGCF Nc1cc(C(=O)O)ccc1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587249764 MOFXSRZQAWYQAK-UHFFFAOYSA-N 397.390 3.210 10 1 GGCF O=C(O)[C@H]1[C@@H](c2c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc23)[C@H]2C=C[C@H]1C2 261491824 LGWWQMQBPJNCFQ-WDQYXFPCSA-N 380.352 3.005 10 1 GGCF COC(=O)CCCSc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 103264527 WTJGBMVVEJQVLM-UHFFFAOYSA-N 380.425 3.384 10 1 GGCF COc1ccc(/N=N/C(=C2/NCCN2Cc2cnc(Cl)s2)[N+](=O)[O-])cc1 103201097 XXPASCBFURCMHK-CINXTQGDSA-N 394.844 3.398 10 1 GGCF CN(C)c1ccc(CNC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)cc1 8599732 BOARVIXJGNBKNO-UHFFFAOYSA-N 377.492 3.162 10 1 GGCF Cc1ccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 13680677 HACGUAAOEBCYIH-PTNGSMBKSA-N 390.511 3.090 10 1 GGCF Cc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)NC1CCCC1 1857576486 IHEUZGPYNIPOHV-UHFFFAOYSA-N 387.499 3.022 10 1 GGCF COc1ccc2c(c1)cc1n2CCN2C(=O)c3cc(OC)c(OC)cc3N(C)[C@H]12 1857567548 GDKDHSLWVJXIRQ-NRFANRHFSA-N 393.443 3.272 10 1 GGCF COc1cccc(CC2CCN(C(=O)c3nc4cc(O)c(O)cc4[nH]3)CC2)c1 36294481 JFVFBRUZCXQANP-UHFFFAOYSA-N 381.432 3.078 10 1 GGCF CN(C)CCNC(=O)c1ccc2c(NCCN=[N+]=[N-])c3ccccc3nc2c1 45258977 GOQUNHGUGDHOLR-UHFFFAOYSA-N 377.452 3.402 10 1 GGCF Cc1ccc(NC(=O)OCCC[C@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27716676 HICVCONEMFCHKF-YWZLYKJASA-N 388.464 3.447 10 1 GGCF O=C1N=C(Nc2ccc(O)cc2)S/C1=C/c1ccc(N2CCOCC2)cc1 299867627 QKHOVYPYBMOEQV-QGOAFFKASA-N 381.457 3.311 10 1 GGCF Cc1cccc2c(C3C(=O)C(=O)C(c4c[nH]c5ccccc45)C(=O)C3=O)c[nH]c12 169716545 YLRYJWNXCOJJPP-UHFFFAOYSA-N 384.391 3.115 10 1 GGCF Nc1cc(N2CCOCC2)ccc1Cn1cncc1CNc1ccc(F)c(F)c1 96940273 ACGDOQFGLOZGPJ-UHFFFAOYSA-N 399.445 3.241 10 1 GGCF CO[C@H]1Oc2cc(C=Cc3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 2356657248 ZWAYHEUXGNTJFZ-NRFANRHFSA-N 396.351 3.337 10 1 GGCF CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CCc4c(cc(O)c(O)c4C)[C@]3(C)C(=O)C[C@]12C 238780535 GAKIIZNOQLZCAE-BOTWPFFNSA-N 386.488 3.182 10 1 GGCF O=c1ccc2ccc(O)c(CN3CCN(C/C=C/c4ccccc4)CC3)c2o1 29062083 OKKBGRZTDOUAOY-QPJJXVBHSA-N 376.456 3.330 10 1 GGCF CCCCNc1cc(C(=O)O)cc(S(C)(=O)=O)c1C(=O)c1ccccc1 169341362 ZJTXZFILBGAWFE-UHFFFAOYSA-N 375.446 3.231 10 1 GGCF COC(=O)c1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2n1C 587429675 CJUPPOVBMOTANN-SPLOXXLWSA-N 377.396 3.462 10 1 GGCF CN(CCO)c1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 587193026 PUKZGYIZMRTMOY-UHFFFAOYSA-N 381.661 3.469 10 1 GGCF CC(=O)N1CCN(c2ccc(/C=C/c3cc(O)cc(-n4ccnc4)c3)cc2)CC1 1857765531 VRGRKVWUFVAKCS-NSCUHMNNSA-N 388.471 3.417 10 1 GGCF CC(C)n1cnc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1 1911572688 GBSCURWKEPCSPX-UHFFFAOYSA-N 394.678 3.386 10 1 GGCF COc1ccc2c(c1)CCCN2CCC(=O)N1CCN(c2ccccc2)CC1 1857591338 VFDBQSUNQSNMHS-UHFFFAOYSA-N 379.504 3.187 10 1 GGCF O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 40897067 KMNIDHBKXBEBFF-YRNVUSSQSA-N 378.171 3.363 10 1 GGCF CCOC(=O)COc1ccc2c(-c3ccc(O)c(CN)c3)noc2c1Cl 28008986 MNPKAXJVIVXWDQ-UHFFFAOYSA-N 376.796 3.254 10 1 GGCF CCOP(=O)(CCCCn1nnc2c1C(=O)c1ccccc1C2=O)OCC 1857768070 ZYGIEJRNQMSZFK-UHFFFAOYSA-N 391.364 3.100 10 1 GGCF CC(=O)[C@H](Nc1c(O)cc(O)c(O)c1C[C@H]1CCC[C@@H]2CCCC[C@H]21)C(=O)O 169717716 KNYBSGZAAJFNFA-LWGWVAHUSA-N 391.464 3.407 10 1 GGCF CN(CCO)c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 587193134 UGFFZNZOHBRCAP-UHFFFAOYSA-N 391.225 3.329 10 1 GGCF CC[C@@](C)(O)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 13369477 SUGGWZIKECZBID-JOCHJYFZSA-N 378.380 3.200 10 1 GGCF biogenic CC(=CCc1c(O)c(O)cc2c1OC[C@H]1c3cc4c(cc3O[C@@H]21)COC4)CO 2356390656 BZTOCIGDCPTQOF-JTSKRJEESA-N 382.412 3.219 10 1 GGCF CCN(CC)CCn1nc2c3c(c(NCCNC)ccc31)C(=O)c1ccccc1-2 28759698 XSPKTFXXMWRPOD-UHFFFAOYSA-N 391.519 3.221 10 1 GGCF COC(OC)[C@H](C)Cc1cc(O)c(O)c(Br)c1Br 13450191 WSWTXZHEMKTFIU-ZCFIWIBFSA-N 384.064 3.420 10 1 GGCF biogenic O=S(=O)(Nc1nccs1)c1ccc(NCc2cc(F)ccc2O)cc1 103266479 IWPVPTICVAVFIX-UHFFFAOYSA-N 379.438 3.401 10 1 GGCF O=C(O)c1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 218468105 OHSMWUVVHPGFDB-UHFFFAOYSA-N 388.305 3.200 10 1 GGCF O=C(CN1CCOCC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O 299870140 VXFNCDGWFBSSJX-IBGZPJMESA-N 399.878 3.056 10 1 GGCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 586948600 JYJVIVWWLQRMCA-UHFFFAOYSA-N 389.330 3.465 10 1 GGCF Cn1c(-c2ccc(F)c(NC(=N)N)c2)ccc1-c1ccc(F)c(N[N+](=N)N)c1 28469039 HSCSFMPVWPZNRA-UHFFFAOYSA-N 385.402 3.187 10 1 GGCF COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OC1CCCC1 29126183 GQJHWMYVTJNHSW-DHDCSXOGSA-N 393.486 3.302 10 1 GGCF CCc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc(OC)c(OC)cc12 28711302 PVTVRCCXOBITKD-UHFFFAOYSA-N 392.455 3.141 10 1 GGCF CC(=CCc1c(O)c(O)cc2c1OC[C@H]1c3cc4c(cc3O[C@H]21)COC4)CO 2356390655 BZTOCIGDCPTQOF-HTAPYJJXSA-N 382.412 3.219 10 1 GGCF COC(=O)c1[nH]c2ccccc2c1N=NN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 2356736698 IXWNPEOFLGJGLY-KGLIPLIRSA-N 391.431 3.234 10 1 GGCF O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1cccc(C(F)(F)F)c1 40395536 QGMDJVPCLJXCKD-UHFFFAOYSA-N 389.340 3.095 10 1 GGCF C[C@H]1[C@H]2C=C[C@@H]1[C@@H](C(=O)O)[C@@H]2c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 29051630 BSAMRWOMXJWVCE-JZKKJFRISA-N 394.379 3.251 10 1 GGCF CCc1cc(-c2ccccc2)cc(CC)c1C1C(=O)N2CCOCCN2C1=O 103168564 HVQXYFWZZCVJBM-UHFFFAOYSA-N 378.472 3.178 10 1 GGCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(O)nc(S)nc3[nH]1)[C@@H]1CC=C[C@H]21 587277423 VRVQAOSLQGRLCR-CWSCBRNRSA-N 396.432 3.390 10 1 GGCF CCn1cc2c3c(cccc31)[C@@H]1C[C@H](NC(=O)n3nc(C)cc3C)CN(C)[C@@H]1C2 2029587 ZSJNNQSQILSGMP-HFSMHLIXSA-N 391.519 3.445 10 1 GGCF biogenic,in-man NC(=O)c1cccc(C[C@H](N)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587260466 RRHUTUSMKSJLBT-SFHVURJKSA-N 387.443 3.279 10 1 GGCF CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2CC(=O)OC)cc1OC 96922574 GEBQCKRPCHAYSM-ATVHPVEESA-N 394.427 3.443 10 1 GGCF COc1ccc(N2CCN(CCCN3CCCc4ccccc4C3=O)CC2)cc1 40918616 PIGKDOALHKDJJK-UHFFFAOYSA-N 393.531 3.296 10 1 GGCF CSCCCNc1ccc2c3c(nn2CCN(C)C)-c2cnccc2C(=O)c13 95586218 MGZACMSYJKCPTD-UHFFFAOYSA-N 395.532 3.369 10 1 GGCF COc1ccc(C(=O)c2cc3c(s2)C(=O)c2c(O)cccc2C3=O)c(O)c1 299831572 CTTIHXOBEFIIMF-UHFFFAOYSA-N 380.377 3.174 10 1 GGCF O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1ccccc1 38896966 KYOUXLCBBPBCLD-NHCUHLMSSA-N 394.379 3.411 10 1 GGCF biogenic