smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCn1c(O)c(/N=N\c2ccc3ccccc3n2)c2ccccc21 6226172 XGWKBJCMGQNSHV-DQRAZIAOSA-N 316.364 5.330 10 1 DKCF Brc1ccc(/N=N/c2c[nH]c3ccccc23)cc1 72177086 LKRUGAQEOHAAIQ-ISLYRVAYSA-N 300.159 5.346 10 1 DKCF CC(C)=CCC[C@H](C)[C@H]1CC[C@@H](C)c2c1cc(C)c(O)c2O 14696692 VOLYJTIOHDCTPZ-SQWLQELKSA-N 302.458 5.770 10 1 DKCF biogenic CC(C)c1cc2c(c(O)c1O)CC1=CCCC(C)(C)[C@@H]1CC2 14515123 ZSBGZCORDLYKJB-QGZVFWFLSA-N 300.442 5.073 10 1 DKCF biogenic,in-vitro O=C1C(=O)c2cc(-c3cc4ccccc4o3)ccc2-c2ccccc21 13862842 ZMYHMCVPRBLNNC-UHFFFAOYSA-N 324.335 5.146 10 1 DKCF O=C(O)c1cccc(/N=N/Cc2ccc(-c3ccccc3)cc2)c1 169688505 LBWPCZTVTPYTMF-QURGRASLSA-N 316.360 5.336 10 1 DKCF Nc1[nH]c(N=Nc2nc(-c3ccccc3)cs2)c2ccccc12 253982838 ANVVRYLKUICIPP-UHFFFAOYSA-N 319.393 5.289 10 1 DKCF O=[N+]([O-])c1ccc(N=Nc2c(Cl)cc(O)cc2Cl)cc1 253993330 ZTXWNIBRQUVRQR-UHFFFAOYSA-N 312.112 5.023 10 1 DKCF COc1cccc(-c2csc(/N=N/[C@@H](C)c3ccncc3)n2)c1 169723896 CNWLYBMIYAXXSG-ZKNCDPSRSA-N 324.409 5.059 10 1 DKCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 13302322 MUVSVZOWXAYLSD-YWZLYKJASA-N 302.458 5.251 10 1 DKCF biogenic CC(C)c1c(O)c(O)c2c(c1O)C=C[C@@H]1C(C)(C)CCC[C@@]21C 14410458 KKCFPHJPFNFLPA-ZUOKHONESA-N 316.441 5.038 10 1 DKCF biogenic CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c1cc(C)c(O)c2O 14696688 VOLYJTIOHDCTPZ-LZWOXQAQSA-N 302.458 5.770 10 1 DKCF biogenic CN(C)c1ccc(/C=C/c2ccc3ccccc3n2)c(Cl)c1 45202613 ZTDMQWKGKQMZIS-JXMROGBWSA-N 308.812 5.125 10 1 DKCF C1=C[C@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3cccnc3)[C@H]2C1 4168280 XDRGSACBQCKLIK-QTEQDKRBSA-N 324.427 5.575 10 1 DKCF Cc1ccc2[nH]c(O)c(/N=N/C(=O)Nc3c(C)cccc3C)c2c1 28528113 VCTAAUCSGFKCPY-QURGRASLSA-N 322.368 5.115 10 1 DKCF C/C(=C\CN=[N+]=[N-])CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 45352849 JRQXBWXUQRYIAE-PFIWFTBQSA-N 321.553 7.682 10 1 DKCF C[C@@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1ccco1 169728116 NYTCAMPKXCEICC-XZDDXTHTSA-N 301.346 5.387 10 1 DKCF Clc1ccc(C/N=N/c2nc(Cl)nc3ccccc23)cc1 169689306 VGTWLLDOFIMDGA-DYTRJAOYSA-N 317.179 5.221 10 1 DKCF CC(C)=CCc1c(O)c2ccccc2c2nc3ccccc3nc12 40640163 HUJGFZRWKWRIEH-UHFFFAOYSA-N 314.388 5.151 10 1 DKCF Clc1ccc2c(-c3ccccc3)n[nH]c(-c3ccccc3)c1-2 3152622 FZLLFVHJVQVGPY-UHFFFAOYSA-N 304.780 5.502 10 1 DKCF biogenic CC(C)Cc1ccc(C2=C/C(=C\c3ccc(F)cc3)C(=O)O2)cc1 1857603205 OTQWRISCOPEKGA-LDADJPATSA-N 322.379 5.006 10 1 DKCF CC[C@H](C)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)c(C)c2c1 587641953 IOZIORCYQZEIOX-AWEZNQCLSA-N 306.453 5.723 10 1 DKCF CC(C)CCn1c(O)c(/N=N/c2ccccn2)c2ccccc21 101812511 HZKZVYYVWBXIHM-QZQOTICOSA-N 308.385 5.203 10 1 DKCF CC(C)c1cc2c(c(O)c1O)C[C@@H]1CCCC(C)(C)[C@@H]1CC2 2356735475 BPLSSVSOQVAUAE-WMLDXEAASA-N 302.458 5.152 10 1 DKCF C[C@H](/N=N/c1nc2ccccc2o1)c1cc2ccccc2cn1 169691984 WSMHQOPWWNSWEB-PIBWJKQFSA-N 302.337 5.221 10 1 DKCF Brc1cccc(/N=N\C2=C3CCCCN3CCC2)c1 40835330 LUFFSIZSIRWYCK-ZCXUNETKSA-N 320.234 5.024 10 1 DKCF C[C@H](COc1ccccc1)/N=N/c1nc(-c2ccccc2)cs1 169728448 ATXRRSHTVZBLDX-YYZBOFOMSA-N 323.421 5.361 10 1 DKCF CCN(CC)c1ccc(/C=C/C2=Nc3ccccc3C2(C)C)cc1 96934731 ZDGMHVQZSNAHBQ-DTQAZKPQSA-N 318.464 5.610 10 1 DKCF CC1(C)CCc2c(c3ccccc3c3nc4ccccc4nc23)O1 40466526 FZDDZFZNAODGER-UHFFFAOYSA-N 314.388 5.040 10 1 DKCF Fc1ccc(-c2csc(/N=N/Cc3cccs3)n2)c(F)c1 169728163 MUJTYMIIDKTRET-HTXNQAPBSA-N 321.377 5.434 10 1 DKCF Cc1ccc(C)c2c(/C=C/c3ccc(N(C)C)cc3)ccnc12 1559785 DQGAOGIFRCIALP-JXMROGBWSA-N 302.421 5.088 10 1 DKCF [N-]=[N+]=NCc1ccccc1Nc1ccnc2cc(Cl)ccc12 96914875 ISLCFRUWEQKZAK-UHFFFAOYSA-N 309.760 5.442 10 1 DKCF Oc1c(Cl)cc(-c2ccccc2)cc1CNC1CCCCC1 45194051 DEDOZSKYZSJWRL-UHFFFAOYSA-N 315.844 5.135 10 1 DKCF c1ccc2[nH]c(Nc3c4ccccc4nc4ccccc34)nc2c1 212342425 AJHVPEJHQKBCJX-UHFFFAOYSA-N 310.360 5.008 10 1 DKCF CCc1c(-c2c(C)c3ccccc3n2C)[nH]c2cc(F)ccc12 587635851 OKPFBDSCVGUDFV-UHFFFAOYSA-N 306.384 5.337 10 1 DKCF C/C(=C\c1ccccc1F)C1Nc2cccc3cccc(c23)N1 36380517 RLELYBMUZDNQPW-OUKQBFOZSA-N 304.368 5.246 10 3 DKCF CC=CCC=CCCCCCCCCCc1cccc(O)c1O 2356746241 GOYJWBOULRSWKD-UHFFFAOYSA-N 316.485 6.284 10 1 DKCF Oc1[nH]c2ccc(F)cc2c1/N=N/c1nc2ccccc2s1 103966524 GBRRBVJALFKCSY-FMQUCBEESA-N 312.329 5.038 10 1 DKCF CC(C)c1cc2c(c(O)c1O)C[C@H]1CCCC(C)(C)[C@H]1CC2 2356735474 BPLSSVSOQVAUAE-PBHICJAKSA-N 302.458 5.152 10 1 DKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccccc3[nH]1)N2 587077821 AJVVRJJUFHACDW-JCGVRSQUSA-N 321.811 5.043 10 1 DKCF Oc1[nH]c2ccc(Br)cc2c1/N=N/c1ccccc1 13897289 WNAPOYIRDCLIRL-ISLYRVAYSA-N 316.158 5.051 10 1 DKCF C[C@H](/N=N/c1cc(C(F)(F)F)ccc1Cl)c1cccnc1 169693897 ILIOFOTWDZQLKJ-MUQGCMKUSA-N 313.710 5.599 10 1 DKCF Brc1ccc(/N=N/C2=C3CCCCN3CCC2)cc1 102131483 NHALQMMSGZKERZ-ISLYRVAYSA-N 320.234 5.024 10 1 DKCF FC(F)(F)c1cccc(/N=N\C2=C3CCCCN3CCC2)c1 40952016 QOTRWUUOEDYCCE-MRCUWXFGSA-N 309.335 5.280 10 1 DKCF [N-]=[N+]=NCc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1 1857639307 FQJPLYRAWVJQIM-UHFFFAOYSA-N 309.760 5.003 10 1 DKCF COc1ccc(-c2[nH]ncc2N=Nc2cc(C)cc(C)c2)cc1 253989025 DDRFAYPMWRMIPL-UHFFFAOYSA-N 306.369 5.118 10 1 DKCF Cn1c(-c2ccccc2)c(/N=N/c2nccs2)c2ccccc21 100050451 RWSPUNNNJRHPOZ-QZQOTICOSA-N 318.405 5.717 10 1 DKCF CC(C)CCn1c(O)c(/N=N\c2ccccn2)c2ccccc21 6909952 HZKZVYYVWBXIHM-MRCUWXFGSA-N 308.385 5.203 10 1 DKCF CCCCn1c(O)c(/N=N\c2ccccc2O)c2ccccc21 102731679 ROUWLSYGZNMXGO-VXPUYCOJSA-N 309.369 5.268 10 1 DKCF Cc1cc(-c2csc(C3CC3)n2)c(C)n1-c1ccccc1F 587922094 KEAQGRLXQVNNHG-UHFFFAOYSA-N 312.413 5.234 10 1 DKCF Clc1ccc(/N=N\C2=C3CCCCN3CCC2)cc1Cl 40981195 QLCAAORXPZPACG-HNENSFHCSA-N 310.228 5.568 10 1 DKCF c1ccc2c(c1)Oc1ccccc1N2CCCCN1CCCCC1 1535468 XDDPWSRZEGHLLH-UHFFFAOYSA-N 322.452 5.197 10 1 DKCF C/C(=C\N=N\c1nc(C)cc(C)n1)Cc1ccc(C(C)C)cc1 169691772 WVBXEUZRZFMQCU-SGJIEQFKSA-N 308.429 5.447 10 1 DKCF CC(C)n1cc(C/N=N/c2ccc(C(=O)O)cc2)c2ccccc21 169690076 ONYBUAJHYLWRNF-QZQOTICOSA-N 321.380 5.204 10 1 DKCF C[C@@H](/N=N/c1cc(C(F)(F)F)ccc1Cl)c1cccnc1 169693896 ILIOFOTWDZQLKJ-AQBNCOFJSA-N 313.710 5.599 10 1 DKCF CN(C)c1ccc(C=Cc2ccc3ccccc3n2)c(Cl)c1 1857596835 ZTDMQWKGKQMZIS-UHFFFAOYSA-N 308.812 5.125 10 1 DKCF c1ccc2c(Nc3ccc4c[nH]nc4c3)c3ccccc3nc2c1 26937593 BACBJNAXXIISJU-UHFFFAOYSA-N 310.360 5.008 10 1 DKCF Oc1ccc([C@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]23)cc1 169309127 FKDPHIMUUUUBNE-XQBPLPMBSA-N 313.400 5.372 10 1 DKCF Cc1nc2cc(/N=N/c3c(O)ccc4ccccc34)ccc2[nH]1 18011380 GFVLBOGSQWCHGO-QURGRASLSA-N 302.337 5.146 10 1 DKCF Cc1ccc2[nH]c(O)c(/N=N/c3nc4ccccc4s3)c2c1 101478816 TUYONWWRNVOFNX-FMQUCBEESA-N 308.366 5.207 10 1 DKCF Oc1ccccc1CNc1ccc(-c2ccc(Cl)cc2)cc1 473085147 VMYRAXNEOUZPSZ-UHFFFAOYSA-N 309.796 5.325 10 1 DKCF Oc1[nH]c2ccc(F)cc2c1N=Nc1nc2ccccc2s1 617960101 GBRRBVJALFKCSY-UHFFFAOYSA-N 312.329 5.038 10 1 DKCF CCCCCC=CCCCCCCCCc1cccc(O)c1O 2356626519 BEIALPTVCHLTEV-UHFFFAOYSA-N 318.501 6.508 10 1 DKCF CN(C)c1ccc(/C=C/c2ccnc3c2ccc2ccccc23)cc1 6375060 JFBKFKIEWSMVFC-JXMROGBWSA-N 324.427 5.624 10 1 DKCF COc1ccc(-c2[nH]ncc2/N=N\c2cc(C)cc(C)c2)cc1 5625877 DDRFAYPMWRMIPL-MRCUWXFGSA-N 306.369 5.118 10 1 DKCF CN(C)c1ccc(/C=C/c2ccnc3cc(Cl)ccc23)cc1 6375059 OYXHBKXDSQOGAI-ZZXKWVIFSA-N 308.812 5.125 10 1 DKCF CCC[C@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(C)C 587954723 BRJUPPZSEULCJY-KRWDZBQOSA-N 323.440 5.477 10 1 DKCF CN(C)c1ccc(/C=C\c2ccc3ccccc3n2)c(Cl)c1 64585878 ZTDMQWKGKQMZIS-YFHOEESVSA-N 308.812 5.125 10 1 DKCF C[C@H](/N=N/c1ccnc2cc(Cl)ccc12)c1ccc(O)cc1 169690411 RCQSVWLUJUXSMH-BMQZVHBQSA-N 311.772 5.439 10 1 DKCF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(N(C)C)cc3)c(C)c2c1 587641972 IOZIORCYQZEIOX-CQSZACIVSA-N 306.453 5.723 10 1 DKCF CN(C)c1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587920722 NRHWTWIOKPKNOI-UHFFFAOYSA-N 314.841 5.197 10 1 DKCF CC(C)=CCCC(C)=CCCC(C)=CCc1cccc(O)c1O 2356417739 LAFPFYIDQKOVRZ-UHFFFAOYSA-N 314.469 6.060 10 1 DKCF C[C@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1cccs1 169728151 VUZWZJBYQBMSCA-LDIGWACQSA-N 317.414 5.856 10 1 DKCF CSc1ccc(C/N=N/c2ccc(Cl)c(C(=O)O)c2)cc1 169688511 WTSQAKFNXVWALA-ISLYRVAYSA-N 320.801 5.044 10 1 DKCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2 102983080 BFXSCDFJDLQVRW-HXUWFJFHSA-N 316.441 5.057 10 1 DKCF C/C=C\C=C/C/C=C\CCCCCCCc1cccc(O)c1O 85616510 IYROWZYPEIMDDN-OFWKVKOTSA-N 314.469 6.060 10 1 DKCF C=C/[N+]([O-])=N/CCCCCCCC(=O)CCCCC[C@H](C)CC 1857556255 WCXIXALVVJEISW-HMDOMZECSA-N 324.509 5.999 10 1 DKCF C[C@@H]1CC=CC[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587967567 QBTIPAPWTZVTOV-CXAGYDPISA-N 319.408 5.007 10 1 DKCF C/C=C/C=C/C/C=C\CCCCCCCc1cccc(O)c1O 85616523 IYROWZYPEIMDDN-YCLNNTPMSA-N 314.469 6.060 10 1 DKCF Cn1ccc2c(-c3cncc4ccccc34)cc3c(c21)[C@H]1CC[C@@H]3C1 72138554 WFQNJMPACDTFHK-CABCVRRESA-N 324.427 5.758 10 1 DKCF Cc1c(-c2ccc(N(C)C)cc2)[nH]c2ccc(F)c(Cl)c12 587629964 BDVIDGOATHUHES-UHFFFAOYSA-N 302.780 5.002 10 1 DKCF [N-]=[N+]=N[C@H]1CC[C@H](c2cc(=O)c3ccc4ccccc4c3o2)CC1 1857563865 MCMLNAPQDOZTMY-HDJSIYSDSA-N 319.364 5.283 10 1 DKCF CC(C)=C(c1ccncc1)c1ccc(-c2ccc(O)c(O)c2)cc1 53313825 STFAHYUUOLTNDD-UHFFFAOYSA-N 317.388 5.002 10 1 DKCF C[C@@H](/N=N/c1cc(C(F)(F)F)ccc1Cl)c1ccncc1 169693899 WMYAUAMEWADMMN-AQBNCOFJSA-N 313.710 5.599 10 1 DKCF COc1cccc(-c2cccc(-n3c(C)cc4c3CCCC4)c2)c1 587938245 RTIBHUNFXZKPMB-UHFFFAOYSA-N 317.432 5.340 10 1 DKCF CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c(O)c(O)c(C)c1c32 34004232 QYYIMVMYWAMAAS-DDHJSBNISA-N 300.442 5.477 10 3 DKCF biogenic Nc1[nH]c(/N=N/c2nc(-c3ccccc3)cs2)c2ccccc12 101641627 ANVVRYLKUICIPP-QURGRASLSA-N 319.393 5.289 10 1 DKCF Cc1cc(-c2ccccc2)nc(/N=N/[C@H](C)c2ccc(C)o2)n1 169691194 PLBSLOZQSOVWEN-CTBAPTLKSA-N 306.369 5.198 10 1 DKCF C1=C[C@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3ccncc3)[C@@H]2C1 4168305 PQRRGKFDUQSERQ-VIZSFHNOSA-N 324.427 5.575 10 1 DKCF CC=CC=CCC=CCCCCCCCc1cccc(O)c1O 2356736699 IYROWZYPEIMDDN-UHFFFAOYSA-N 314.469 6.060 10 1 DKCF [N-]=[N+]=N[C@@H]1CCC[C@H](c2cc(=O)c3ccc4ccccc4c3o2)C1 1857535290 KEXCKERNPSRBNS-UONOGXRCSA-N 319.364 5.283 10 1 DKCF Cn1cc(-c2ccc3c4ccccc4n(C)c3c2)c2ccccc21 1629570 BDOGIKCYHCKIKI-UHFFFAOYSA-N 310.400 5.490 10 1 DKCF [N-]=[N+]=NCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 196228616 GJLAGXBVYSORTK-UHFFFAOYSA-N 309.760 5.003 10 1 DKCF Cc1cc(N=Nc2ccc(N(C)C)cc2)c(O)c2c(O)cccc12 2356858189 SWXPGZUXIJTLHT-UHFFFAOYSA-N 321.380 5.041 10 1 DKCF CN1/C(=C\N=N\c2ccc(Cl)cc2)C(C)(C)c2ccccc21 40951653 ZFHDFPPEGDPOSF-WIQPNEMMSA-N 311.816 5.693 10 1 DKCF Fc1ccc(/N=N/c2cnc3cc4ccccc4cc3n2)cc1 1772636283 PTGAORPQXWAEDS-GHVJWSGMSA-N 302.312 5.338 10 1 DKCF C[C@H](/N=N/c1ccnc2cc(Cl)ccc12)c1ccc(N)cc1 169692307 KKZLNJBMXHDOAU-JNEGGWAFSA-N 310.788 5.315 10 1 DKCF CC(C)c1c(O)c(O)c2c(c1O)C=C[C@@H]1C(C)(C)CCC[C@]21C 14410456 KKCFPHJPFNFLPA-XCLFUZPHSA-N 316.441 5.038 10 1 DKCF biogenic C1=C[C@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3ccncc3)[C@H]2C1 4168300 PQRRGKFDUQSERQ-QTEQDKRBSA-N 324.427 5.575 10 1 DKCF CC1=C(Cc2cccc(O)c2O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 29570372 RGXHQHCVLLBPDB-GHTZIAJQSA-N 314.469 5.583 10 1 DKCF C[C@@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1ccccn1 169728122 MYLQBUOIWYXSEU-PQOIGDABSA-N 312.373 5.189 10 1 DKCF Cc1ccc(C)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587944438 FEVZHJMVJPELAS-UHFFFAOYSA-N 321.395 5.514 10 1 DKCF C[C@@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1nccs1 169728118 SXWXSDUWTPOZGX-CUUZCIBOSA-N 318.402 5.251 10 1 DKCF Cc1cccc2c3ccc4ccccc4c3c(-c3ccccc3)n[n+]12 13559573 YVQQMGLLUVVNNK-UHFFFAOYSA-N 321.403 5.102 10 1 DKCF CCCC/C=C\c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587966917 ZEAKHFDDDXSYET-WAYWQWQTSA-N 307.397 5.141 10 1 DKCF Clc1cccc(C/N=N/c2nc(Cl)nc3ccccc23)c1 169688534 NISCNZLAMQJXLY-DYTRJAOYSA-N 317.179 5.221 10 1 DKCF COc1cccc(-c2csc(/N=N/[C@@H](C)c3cccnc3)n2)c1 169723893 FWYWOAZHYSPGNV-ZKNCDPSRSA-N 324.409 5.059 10 1 DKCF Oc1onc(-c2ccccc2)c1/N=N\c1c(F)cccc1Cl 13119760 PFJVIRXHQLNIJN-HNENSFHCSA-N 317.707 5.255 10 1 DKCF CCn1c(O)c(N=Nc2ccc3ccccc3n2)c2ccccc21 254036054 XGWKBJCMGQNSHV-UHFFFAOYSA-N 316.364 5.330 10 1 DKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cccc(O)c1O 196358802 LAFPFYIDQKOVRZ-WGUKNHOESA-N 314.469 6.060 10 1 DKCF C[C@@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1cccs1 169728150 VUZWZJBYQBMSCA-XZDDXTHTSA-N 317.414 5.856 10 1 DKCF Cc1cc(C)c2c(/C=C/c3ccc(N(C)C)cc3)ccnc2c1 13221042 QDGYCRISTVHQOC-VMPITWQZSA-N 302.421 5.088 10 1 DKCF CCN(CC)c1ccc(/C=C/c2ccc3ccccc3n2)cc1 13282689 LIKKLTLONJNGJE-UKTHLTGXSA-N 302.421 5.251 10 1 DKCF C[C@@H](/N=N/c1ccnc2cc(Cl)ccc12)c1ccc(O)cc1 169690410 RCQSVWLUJUXSMH-PQOIGDABSA-N 311.772 5.439 10 1 DKCF CC[n+]1c(/C=C/c2c[nH]c3ccccc23)ccc2cc(C)ccc21 4307109 IENIAGMMOGNSSM-UHFFFAOYSA-O 313.424 5.107 10 3 DKCF CCCC/C=C\CCCCCCCCCc1cccc(O)c1O 14639241 WXZPKABXYFJVLD-WAYWQWQTSA-N 318.501 6.508 10 1 DKCF biogenic,in-vitro Nc1nc(-c2ccccc2)c(/N=N\c2ccccc2Cl)s1 5773966 PCNJSARSIUDICD-VXPUYCOJSA-N 314.801 5.461 10 1 DKCF CCn1c(O)c(/N=N/c2ccc3ccccc3n2)c2ccccc21 101716834 XGWKBJCMGQNSHV-QURGRASLSA-N 316.364 5.330 10 1 DKCF Cn1ccc2c(-c3cncc4ccccc34)cc3c(c21)[C@@H]1CC[C@@H]3C1 102913213 WFQNJMPACDTFHK-HUUCEWRRSA-N 324.427 5.758 10 1 DKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/CSCCN=[N+]=[N-] 146493306 OWNXCPSKTYHDKX-BTMZFSHUSA-N 307.507 6.449 10 1 DKCF CC(C)(C)c1ccc(/C=C2\SC(c3ccccc3)=NC2=O)cc1 1001741 NGAUPBHNVKFBMN-LGMDPLHJSA-N 321.445 5.045 10 1 DKCF Cc1c(-c2ccc(N(C)C)cc2)[nH]c2cc(Cl)c(F)cc12 587630903 SNCNKZQCPFGDAI-UHFFFAOYSA-N 302.780 5.002 10 1 DKCF Cc1cnc2c(C)cccc2c1/C=C/c1ccc(N(C)C)cc1 1559781 GIDWFRYCTAYQMD-JLHYYAGUSA-N 302.421 5.088 10 1 DKCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@H]1CC2 13302327 MUVSVZOWXAYLSD-QRWLVFNGSA-N 302.458 5.251 10 1 DKCF biogenic C[C@@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1ccco1 169728161 FQDXPRKIOHMHNI-XXLZAIRNSA-N 319.336 5.526 10 1 DKCF N=Nc1c(OC(=O)Nc2cccc(Cl)c2)[nH]c2ccccc12 103938920 RFMBRBHUXHXBEM-UHFFFAOYSA-N 314.732 5.095 10 1 DKCF CCCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587921972 FQCBQLVLJARUPU-UHFFFAOYSA-N 314.429 5.309 10 1 DKCF C[C@@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1ccccc1 169728120 IYGIMRJTLDXBAF-PNMKSJJBSA-N 311.385 5.794 10 1 DKCF Oc1ccc(/N=N\c2ccccc2C(F)(F)F)c2cccnc12 102267357 GCNPQACYJBNCKQ-DQRAZIAOSA-N 317.270 5.375 10 1 DKCF Cc1ccc(C/N=N/c2ccnc3cc(Cl)ccc23)c(C)c1 169689321 KZQLKWCDOUJPST-QURGRASLSA-N 309.800 5.789 10 1 DKCF CN(C)c1ccc(/C=C/C=C/c2ccnc3ccccc23)cc1 72104629 KSEFXZWTAXCYMY-FCXRPNKRSA-N 300.405 5.027 10 1 DKCF [N-]=[N+]=NCCCCCCc1nc2cc(Cl)cc(Cl)c2[nH]1 587259156 ASRUNUKFYRZEPK-UHFFFAOYSA-N 312.204 5.283 10 1 DKCF Cc1cc[n+]2nc(-c3ccccc3)c3c4ccccc4ccc3c2c1 13559574 JIZGDIZUJLGYNO-UHFFFAOYSA-N 321.403 5.102 10 1 DKCF Oc1ccc2ccccc2c1/N=N/c1c(O)ccc2ccccc12 101475239 IXEOVKZZILZWSU-QURGRASLSA-N 314.344 5.820 10 1 DKCF CCC/C=C\C/C=C/CCCCCCCc1cccc(O)c1O 17158182 RMTXUPIIESNLPW-KXKKYDSASA-N 316.485 6.284 10 1 DKCF COc1cccc(-c2cccc(-n3c(C)ccc3C(C)C)c2)c1 587927382 UGMDGBAJNOFYTM-UHFFFAOYSA-N 305.421 5.585 10 1 DKCF COc1ccc2nc3ccccc3c(NCc3ccccc3)c2c1 96915352 PCJVBIUUOTUXPR-UHFFFAOYSA-N 314.388 5.009 10 1 DKCF CN(C)c1c(Cl)cc(/C=C2\C=Cc3ccccc32)cc1Cl 36381123 OWFCNXSGBPJJTM-NTEUORMPSA-N 316.231 5.627 10 1 DKCF CCCCC=CCCCCCCCCCc1cccc(O)c1O 2356651676 WXZPKABXYFJVLD-UHFFFAOYSA-N 318.501 6.508 10 1 DKCF Cc1cc(CNCc2ccccc2)c(C)n1-c1ccc(Cl)cc1 653845089 LPLUTGPMNSANQX-UHFFFAOYSA-N 324.855 5.037 10 1 DKCF Cc1ccccc1C/N=N/c1nc(-c2ccc(F)cc2)cs1 169725932 QKKKHGBRCCZFHE-XUTLUUPISA-N 311.385 5.542 10 1 DKCF C[C@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1nccs1 169728119 SXWXSDUWTPOZGX-AFYZYGBZSA-N 318.402 5.251 10 1 DKCF Oc1ccc([C@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)cc1 20533958 FKDPHIMUUUUBNE-NNMXDRDESA-N 313.400 5.372 10 1 DKCF C[C@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1ccco1 169728117 NYTCAMPKXCEICC-LDIGWACQSA-N 301.346 5.387 10 1 DKCF CC(C)c1ccc(/N=N/c2ccc(C(=O)O)cc2)c(C(C)C)c1 34119221 OMBGVKJXIIGRNV-QZQOTICOSA-N 310.397 6.047 10 1 DKCF COc1cccc(-c2csc(/N=N/[C@@H](C)c3ccco3)n2)c1 169723887 DTPCCTXAJNGZTC-JPFDUWQRSA-N 313.382 5.257 10 1 DKCF C[C@H](CC(=O)c1ccccc1)/N=N/c1nc2ccccc2s1 169687982 KLWSFKNRAZSQLP-WMSNYHIESA-N 309.394 5.042 10 1 DKCF CN(C)c1ccc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)cc1 13686489 JGQHLETVKDCCET-NRIIQWGUSA-N 318.464 5.101 10 1 DKCF in-vivo Oc1ccc([C@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)cc1 169309131 FKDPHIMUUUUBNE-CNNODRBYSA-N 313.400 5.372 10 1 DKCF c1ccc(CCc2ccccc2CSc2nccs2)cc1 1857768837 RSJCVIVSGBGYJF-UHFFFAOYSA-N 311.475 5.221 10 1 DKCF CC(C)(C)CC(C)(C)c1ccc(O)c(CNC2CCCCC2)c1 45201324 MXVBDHNXGPZPEC-UHFFFAOYSA-N 317.517 5.528 10 1 DKCF FC(F)(F)c1cccc(/N=N/C2=C3CCCCN3CCC2)c1 102131487 QOTRWUUOEDYCCE-QZQOTICOSA-N 309.335 5.280 10 1 DKCF Cc1cccc(/N=N\c2c(-c3ccc(Cl)cc3)n[nH]c2N)c1 13110600 FXUIZJWYJHWRES-VZCXRCSSSA-N 311.776 5.036 10 1 DKCF C/C=C/C/C=C\CCCCCCCCCc1cccc(O)c1O 14639250 GOYJWBOULRSWKD-OHAITUNLSA-N 316.485 6.284 10 1 DKCF CC(=O)N1c2ccccc2[C@H]2C=CC[C@H]2[C@H]1c1ccc(Cl)cc1 1857753394 SMBQXFVBFHMGSL-YVWKXTFCSA-N 323.823 5.108 10 1 DKCF COc1cccc(-c2csc(/N=N/Cc3cccs3)n2)c1 169723889 WVMQBUOPQDAALS-FBMGVBCBSA-N 315.423 5.164 10 1 DKCF Brc1cccc(/N=N/C2=C3CCCCN3CCC2)c1 102163137 LUFFSIZSIRWYCK-ISLYRVAYSA-N 320.234 5.024 10 1 DKCF Oc1ccccc1CNc1ccc(-c2ccccc2Cl)cc1 473082465 HXASNEWFUHDKBN-UHFFFAOYSA-N 309.796 5.325 10 1 DKCF C[C@@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1cccnc1 169728153 GSXYWMRTGFBZJZ-PQOIGDABSA-N 312.373 5.189 10 1 DKCF C/C=C\C=C\C/C=C\CCCCCCCc1cccc(O)c1O 85616520 IYROWZYPEIMDDN-XTUOKWOTSA-N 314.469 6.060 10 1 DKCF C=C(/C=C/c1ccc(N(C)C)cc1)c1nc2ccccc2s1 36381192 RTEXNEGTNOJRJA-CMDGGOBGSA-N 306.434 5.089 10 1 DKCF COc1cccc(-c2csc(/N=N/[C@H](C)c3ccncc3)n2)c1 169723897 CNWLYBMIYAXXSG-PNMKSJJBSA-N 324.409 5.059 10 1 DKCF CN(C)c1ccc(/C=C/c2nc3ccccc3s2)cc1Cl 36381194 TZXPYZUNKUMLRU-CSKARUKUSA-N 314.841 5.186 10 1 DKCF CN1C=C(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)CCC1 40916744 CWMNDQNJWQDECS-VHEBQXMUSA-N 303.715 5.010 10 1 DKCF Clc1ccc(/N=N/C2=C3CCCCN3CCC2)cc1Cl 102134423 QLCAAORXPZPACG-VHEBQXMUSA-N 310.228 5.568 10 1 DKCF C[C@@H](/N=N/c1nc2ccccc2o1)c1cc2ccccc2cn1 169691983 WSMHQOPWWNSWEB-AFRFTAIISA-N 302.337 5.221 10 1 DKCF [N-]=[N+]=NCc1cccc(Nc2ccnc3cc(Cl)ccc23)c1 96914874 OWHFXNGNVNSHBZ-UHFFFAOYSA-N 309.760 5.442 10 1 DKCF C[C@H](/N=N/c1cc(C(F)(F)F)ccc1Cl)c1ccncc1 169693900 WMYAUAMEWADMMN-MUQGCMKUSA-N 313.710 5.599 10 1 DKCF Oc1c(C/N=N/c2cccc3cccnc23)ccc2ccccc12 169689660 AXERPUPKNZLFER-GHVJWSGMSA-N 313.360 5.378 10 1 DKCF CCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5316680 PCCJXCJNMRZFPH-UHFFFAOYSA-N 313.404 5.563 10 1 DKCF C1=C[C@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3cccnc3)[C@@H]2C1 4168286 XDRGSACBQCKLIK-VIZSFHNOSA-N 324.427 5.575 10 1 DKCF CCC/C=C/C/C=C\CCCCCCCc1cccc(O)c1O 17158179 RMTXUPIIESNLPW-HTKRNXBHSA-N 316.485 6.284 10 1 DKCF Cc1ccc2c(/C=C/c3ccc(N(C)C)cc3)c(C)cnc2c1 36381117 HUURXDLCKFBQPV-XYOKQWHBSA-N 302.421 5.088 10 1 DKCF Brc1ccc(/N=N\C2=C3CCCCN3CCC2)cc1 40835258 NHALQMMSGZKERZ-ZCXUNETKSA-N 320.234 5.024 10 1 DKCF CSc1cccc(-n2c(C)cc(-c3csc(C)n3)c2C)c1 587924186 KOZBGXPKBVFQCS-UHFFFAOYSA-N 314.479 5.248 10 1 DKCF CC(C)c1cc(/N=N/c2ccc(C(=O)O)cc2)cc(C(C)C)c1 34119222 WZMOWRQATFBJKT-QZQOTICOSA-N 310.397 6.047 10 1 DKCF C/C=C\C/C=C/C=C\CCCCCCCc1cccc(O)c1O 95635745 LTCITNIUEPCNGM-YUBLYUGSSA-N 314.469 6.060 10 1 DKCF in-vitro COc1cccc(-c2csc(/N=N/[C@H](C)c3ccco3)n2)c1 169723888 DTPCCTXAJNGZTC-VFGLMNNVSA-N 313.382 5.257 10 1 DKCF CCCCN1C=C2Sc3ccccc3N=C2c2ccccc21 377829988 VTUGAMQEFAWJOJ-UHFFFAOYSA-N 306.434 5.375 10 1 DKCF Cc1cccc2c(NCCc3cccs3)c3ccccc3nc12 45323178 WXIVWPSTGOOJFK-UHFFFAOYSA-N 318.445 5.413 10 1 DKCF CC(C)c1c(O)c(O)c2c(c1O)C=C[C@H]1C(C)(C)CCC[C@]21C 140956234 KKCFPHJPFNFLPA-RBZFPXEDSA-N 316.441 5.038 10 1 DKCF COc1ccc(-c2[nH]ncc2/N=N/c2cc(C)cc(C)c2)cc1 101644482 DDRFAYPMWRMIPL-QZQOTICOSA-N 306.369 5.118 10 1 DKCF Cc1ccc(C/N=N/c2nc(-c3ccc(F)cc3)cs2)cc1 169725933 IYNQHMWWAYZXAA-XUTLUUPISA-N 311.385 5.542 10 1 DKCF COc1ccc(/N=N\c2cc(-c3ccccc3)ccc2O)cc1 13122265 FCGFWOWJYRUWDY-MRCUWXFGSA-N 304.349 5.483 10 1 DKCF CCOc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1 473082658 KKECWNWBDGRNHG-UHFFFAOYSA-N 319.404 5.070 10 1 DKCF Oc1[nH]c2ccccc2c1/N=N/c1nc(-c2ccccc2)cs1 100704079 BCGBRIYJZICEFD-QZQOTICOSA-N 320.377 5.412 10 1 DKCF Cc1cc2n(c1C)-c1ccc(Cl)cc1C(c1ccccc1)=NC2 34588298 GIRLNDVATBSHRA-UHFFFAOYSA-N 320.823 5.099 10 1 DKCF C/C(=C\CN=[N+]=[N-])CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 45352842 JRQXBWXUQRYIAE-NBOAAFDKSA-N 321.553 7.682 10 1 DKCF Cc1cc(O)c(C(C)C)cc1-c1cc(C(C)C)c(O)c(O)c1C 14727221 HNHWYZDOESMBLD-UHFFFAOYSA-N 314.425 5.334 10 1 DKCF endogenous,in-man CCc1ccc(CC)n1-c1cc(Cl)cc(Br)c1 587939981 HSGPEVKGWZNIFT-UHFFFAOYSA-N 312.638 5.018 10 1 DKCF CC(C)CCn1c(O)c(N=Nc2ccccn2)c2ccccc21 253986451 HZKZVYYVWBXIHM-UHFFFAOYSA-N 308.385 5.203 10 1 DKCF Nc1ccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)cc1 1772593815 IRONIUGJFDZTTD-UHFFFAOYSA-N 324.387 5.195 10 1 DKCF C/C=C\C=C\C/C=C\CCCCCCCc1ccc(O)c(O)c1 238737991 LMERBYXJXLNVNU-XTUOKWOTSA-N 314.469 6.060 10 1 DKCF Cc1cc(-c2csc(C(C)C)n2)c(C)n1-c1ccccc1F 587922206 LGVQODDJOJLXSL-UHFFFAOYSA-N 314.429 5.480 10 1 DKCF Nc1[nH]c(/N=N\c2nc(-c3ccccc3)cs2)c2ccccc12 9169966 ANVVRYLKUICIPP-DQRAZIAOSA-N 319.393 5.289 10 1 DKCF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@H]1CC2 13302324 MUVSVZOWXAYLSD-FOIQADDNSA-N 302.458 5.251 10 1 DKCF biogenic C/C=C/C=C\C/C=C\CCCCCCCc1cccc(O)c1O 85616513 IYROWZYPEIMDDN-FKVNGSSGSA-N 314.469 6.060 10 1 DKCF CN(C)c1ccc(/C=C/c2cc(Cl)nc3ccccc23)cc1 36381120 NTCCSORUTSXYMZ-JXMROGBWSA-N 308.812 5.125 10 1 DKCF C/C(=C\CN=[N+]=[N-])CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 45352846 JRQXBWXUQRYIAE-IHKHCKEISA-N 321.553 7.682 10 1 DKCF Cc1cc(CNC2CCCCC2)c(C)n1-c1ccc(Cl)cc1 653846252 OVDLRJDGBHKCCQ-UHFFFAOYSA-N 316.876 5.170 10 1 DKCF CN(C)c1ccc(/C=C\C=C/c2ccnc3ccccc23)cc1 36381115 KSEFXZWTAXCYMY-VHOZIDCHSA-N 300.405 5.027 10 1 DKCF CCCc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1 473082621 JJFASWDWBKOQBZ-UHFFFAOYSA-N 317.432 5.624 10 1 DKCF CC(C)c1c(O)c(O)cc2c1CC[C@@H]1C(C)(C)CCC[C@]21C 14768519 QBIVWQLRWPGBLK-OXQOHEQNSA-N 302.458 5.251 10 1 DKCF biogenic,in-vitro Cc1ccc(C)c(-n2c(C)cc(CNC3CCCCC3)c2C)c1 1911579161 LZNYLJLWICUOMY-UHFFFAOYSA-N 310.485 5.133 10 1 DKCF Cn1ccc2c(-c3cncc4ccccc34)cc3c(c21)[C@@H]1CC[C@H]3C1 72138553 WFQNJMPACDTFHK-LSDHHAIUSA-N 324.427 5.758 10 1 DKCF CN(C)c1ccc(/C=C/c2c(Cl)cnc3ccccc23)cc1 36381119 MQQLEMBAVRPCDP-FMIVXFBMSA-N 308.812 5.125 10 1 DKCF CC(C)c1c(O)c(O)cc2c1CC[C@H]1C(C)(C)CCC[C@]21C 5963362 QBIVWQLRWPGBLK-OXJNMPFZSA-N 302.458 5.251 10 1 DKCF biogenic CCN(CC)CCCCN1c2ccccc2Oc2ccccc21 1535465 WXBJYCLFEXXZJY-UHFFFAOYSA-N 310.441 5.052 10 1 DKCF CC(C)c1c(O)c(O)c2c(c1O)C=C[C@H]1C(C)(C)CCC[C@@]21C 14410461 KKCFPHJPFNFLPA-RNODOKPDSA-N 316.441 5.038 10 1 DKCF biogenic C[C@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1cccnc1 169728154 GSXYWMRTGFBZJZ-BMQZVHBQSA-N 312.373 5.189 10 1 DKCF O=C(O)c1ccc(/N=N/c2cccc(-c3ccccc3)c2)cc1 40465152 PHWSXLXFBQGDID-QZQOTICOSA-N 302.333 5.467 10 1 DKCF Cc1cc(-c2ccccc2)nc(/N=N/[C@@H](C)c2ccc(C)o2)n1 169691195 PLBSLOZQSOVWEN-OXBTWTFQSA-N 306.369 5.198 10 1 DKCF C[C@@H](/N=N/c1ccnc2cc(Cl)ccc12)c1ccc(N)cc1 169692306 KKZLNJBMXHDOAU-RCJUYNGUSA-N 310.788 5.315 10 1 DKCF CC(C)c1c(O)c(O)cc2c1CC[C@@H]1C(C)(C)CCC[C@@]21C 14768523 QBIVWQLRWPGBLK-UZLBHIALSA-N 302.458 5.251 10 1 DKCF biogenic CCc1ccc(CC)n1-c1cccc(-c2cccc(OC)c2)c1 587927871 ZEJCZUXCFZOBJS-UHFFFAOYSA-N 305.421 5.278 10 1 DKCF Cc1sc(/N=N/CCCSc2ccccc2)nc1S 169724324 GTJCMGUZLNCEPL-JQIJEIRASA-N 309.485 5.006 10 1 DKCF Cn1ccc2c(-c3cncc4ccccc34)cc3c(c21)[C@H]1CC[C@H]3C1 102913216 WFQNJMPACDTFHK-GJZGRUSLSA-N 324.427 5.758 10 3 DKCF [N-]=[N+]=N[C@H]1CCC[C@@H](c2cc(=O)c3ccc4ccccc4c3o2)C1 1857535289 KEXCKERNPSRBNS-KGLIPLIRSA-N 319.364 5.283 10 1 DKCF O=[N+]([O-])c1ccc2nc3ccccc3c(Nc3ccccc3)c2c1 26845006 MKNWLDAWGXMRQD-UHFFFAOYSA-N 315.332 5.040 10 1 DKCF CCc1nc2cc(/N=N/c3c(O)ccc4ccccc34)ccc2[nH]1 17953401 CDMBPCSJABTNNV-GHVJWSGMSA-N 316.364 5.400 10 1 DKCF Clc1ccc(/N=N/C=C2\CCCN2Cc2ccccc2)cc1 40402374 ITWVFFICVAIDDK-KXNKKEQVSA-N 311.816 5.561 10 1 DKCF Oc1ccc2ccccc2c1C/N=N/c1cccc2cccnc12 169689658 CFJCBCNTNUWDEE-GHVJWSGMSA-N 313.360 5.378 10 1 DKCF CN(C)c1ccc(/C=C/c2cccc3cc4ccccc4nc23)cc1 36382698 MTNFBWHHQSEXES-JLHYYAGUSA-N 324.427 5.624 10 1 DKCF Cc1ccc(C(C)C)n1-c1cc(Cl)cc(Br)c1 587942138 ZZLNIAKUQNHXOH-UHFFFAOYSA-N 312.638 5.325 10 1 DKCF C=C/[N+]([O-])=N/CCCCCCCC(=O)CCCCCC(C)C 105567179 BKQGCLAUQLABKR-VXPUYCOJSA-N 310.482 5.609 10 1 DKCF CCC[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(C)C 587954724 BRJUPPZSEULCJY-QGZVFWFLSA-N 323.440 5.477 10 1 DKCF C=C1C=C2C(C)(C)CCC[C@]2(C)c2c1cc(C(C)C)c(O)c2O 238748830 ZEQFIIUDIKFBTF-NRFANRHFSA-N 312.453 5.642 10 1 DKCF Fc1ccc(-c2csc(/N=N/Cc3cccs3)n2)cc1 169728149 DERZKUGPVDVNCU-FBMGVBCBSA-N 303.387 5.295 10 1 DKCF CC(C)=CCC[C@H](C)[C@H]1CC[C@H](C)c2c1cc(C)c(O)c2O 33977462 VOLYJTIOHDCTPZ-OFQRWUPVSA-N 302.458 5.770 10 1 DKCF biogenic CCc1ccc(CC)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587945340 MGZXTRXXNWRTLY-UHFFFAOYSA-N 311.375 5.547 10 1 DKCF O=C(O)c1ccc(/N=N/c2cccc(C3CCCCC3)c2)cc1 34110921 FPKUUCBSDVIQQW-QZQOTICOSA-N 308.381 5.848 10 1 DKCF [N-]=[N+]=N[C@H]1CCC[C@H](c2cc(=O)c3ccc4ccccc4c3o2)C1 1857535288 KEXCKERNPSRBNS-KBPBESRZSA-N 319.364 5.283 10 1 DKCF CCC[N+](C)(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1 36381227 ZSEIFCZNFBMEOO-FMIVXFBMSA-N 317.456 5.382 10 1 DKCF Oc1onc(-c2ccccc2)c1/N=N/c1c(F)cccc1Cl 101968230 PFJVIRXHQLNIJN-VHEBQXMUSA-N 317.707 5.255 10 1 DKCF CCCCc1ccc(-n2c(C)ccc2C)c(Br)c1 587935218 CWOCKIXEJYYRFG-UHFFFAOYSA-N 306.247 5.199 10 1 DKCF Cc1cc2c(n1-c1ccc(O)c(-c3ccccc3)c1)CCCC2 587925065 FCDTUEXFNZCPSY-UHFFFAOYSA-N 303.405 5.037 10 1 DKCF Cc1cc(CNC2CCCCC2)c(C)n1-c1ccc(C(C)C)cc1 1911582212 OEPVUKBKVJEIIN-UHFFFAOYSA-N 324.512 5.640 10 1 DKCF C[C@@H](CC(=O)c1ccccc1)/N=N/c1nc2ccccc2s1 169687981 KLWSFKNRAZSQLP-IVGVGDLQSA-N 309.394 5.042 10 1 DKCF O=C1/C(=C\c2ccccc2)C=C(c2ccccc2)N1c1ccccc1 1772612001 HOQJPQZIHKOMOH-SILNSSARSA-N 323.395 5.158 10 1 DKCF CCCC/C=C/c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587966915 ZEAKHFDDDXSYET-AATRIKPKSA-N 307.397 5.141 10 1 DKCF CC=CC=CCC=CCCCCCCCc1ccc(O)c(O)c1 2356605592 LMERBYXJXLNVNU-UHFFFAOYSA-N 314.469 6.060 10 1 DKCF Cc1c(/C=C/c2ccnc3ccccc23)ccc(N(C)C)c1C 13220945 BOHNKFWQJRVQCE-MDZDMXLPSA-N 302.421 5.088 10 1 DKCF CN(C)c1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1 72173486 JHWLKZSAMCUIHP-JXMROGBWSA-N 311.475 5.713 10 1 DKCF Clc1ccc(/N=N/c2cnc3cc4ccccc4cc3n2)cc1 1772634378 VHNLGJOPQWRICM-GHVJWSGMSA-N 318.767 5.852 10 1 DKCF Oc1c(/N=N\c2ccccc2)c2cccc3ccc4cccc1c4c32 18082749 MCPAEXGESWMYTD-VHXPQNKSSA-N 322.367 6.705 10 1 DKCF COc1cccc(-c2csc(/N=N/[C@H](C)c3cccnc3)n2)c1 169723894 FWYWOAZHYSPGNV-PNMKSJJBSA-N 324.409 5.059 10 1 DKCF c1ccc(N/N=N/c2ccc(-c3nc4ccccc4o3)cc2)nc1 5940187 OAZAHICFRLZOFC-UHFFFAOYSA-N 315.336 5.001 10 1 DKCF COc1ccc(C/N=N/c2cc(C)nc3c(C)cccc23)cc1 169694033 GPSOBKPNRSEEKL-LSDHQDQOSA-N 305.381 5.144 10 1 DKCF C[C@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1ccccn1 169728123 MYLQBUOIWYXSEU-BMQZVHBQSA-N 312.373 5.189 10 1 DKCF Cc1ccccc1/N=N\c1ccc(NC(=O)c2ccco2)c(C)c1 3896978 RDQWQMVBBQKHGH-DQRAZIAOSA-N 319.364 5.564 10 1 DKCF Cc1cc(N(C)C)c(C)cc1/C=C/c1ccnc2ccccc12 36381181 ICVDPLAXYKTVDO-MDZDMXLPSA-N 302.421 5.088 10 1 DKCF O=C(O)c1ccc(/N=N/Cc2ccc(-c3ccccc3)cc2)cc1 169688506 AOSQPRPTMWHIQF-QURGRASLSA-N 316.360 5.336 10 1 DKCF CC(C)c1cc2c(c(O)c1O)C[C@H]1CCCC(C)(C)[C@@H]1CC2 685935783 BPLSSVSOQVAUAE-RHSMWYFYSA-N 302.458 5.152 10 1 DKCF biogenic,in-vitro CC(C)c1cc2c(c(O)c1O)CC1=CCCC(C)(C)[C@H]1CC2 14515125 ZSBGZCORDLYKJB-KRWDZBQOSA-N 300.442 5.073 10 1 DKCF biogenic CCCCC[C@H](C)/N=N/c1nc(-c2cccc(OC)c2)cs1 169723883 HYVNXUPTGRWKOB-XEXOPBTESA-N 317.458 5.871 10 1 DKCF C[C@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1ccncc1 169728157 IQJXTNMVFMCCNF-BMQZVHBQSA-N 312.373 5.189 10 1 DKCF Oc1onc(-c2ccccc2)c1N=Nc1c(F)cccc1Cl 254010694 PFJVIRXHQLNIJN-UHFFFAOYSA-N 317.707 5.255 10 1 DKCF CCCCC[C@@H](C)/N=N/c1nc(-c2cccc(OC)c2)cs1 169723882 HYVNXUPTGRWKOB-ZIPFOMIPSA-N 317.458 5.871 10 1 DKCF Oc1ccc([C@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]23)cc1 20533957 FKDPHIMUUUUBNE-WOIUINJBSA-N 313.400 5.372 10 1 DKCF Clc1ccc2c(NCc3ccccc3)c3ccccc3nc2c1 96915353 CZKCVLLRRANEBM-UHFFFAOYSA-N 318.807 5.654 10 1 DKCF C=C1C=C2C(C)(C)CCC[C@@]2(C)c2c1cc(C(C)C)c(O)c2O 2356659951 ZEQFIIUDIKFBTF-OAQYLSRUSA-N 312.453 5.642 10 1 DKCF CC(C)c1c(O)c(O)cc2c1CC[C@H]1C(C)(C)CCC[C@@]21C 14768527 QBIVWQLRWPGBLK-JXFKEZNVSA-N 302.458 5.251 10 1 DKCF biogenic Cc1cc([N+](C)(C)C)cc(C)c1/C=C/c1ccnc2ccccc12 36382712 TUOCBSUGZZATBM-ZHACJKMWSA-N 317.456 5.219 10 1 DKCF Fc1ccc(F)c(/N=N/Nc2cccc(C(F)(F)F)c2)c1 45300640 ARUKUBSXENCXMO-UHFFFAOYSA-N 301.218 5.094 10 1 DKCF Cc1cnc2c(C)ccc(C)c2c1/C=C/c1ccc(N(C)C)cc1 36381126 KFDHRQPBKULJMN-JLHYYAGUSA-N 316.448 5.396 10 1 DKCF Cc1ccc(/N=N/c2c(C(=O)O)[nH]c3ccc(Cl)cc23)cc1 1857592773 JTSVYROTPUPKBI-FMQUCBEESA-N 313.744 5.243 10 1 DKCF Cc1ccc2[nH]c(O)c(N=Nc3nc4ccccc4s3)c2c1 253987404 TUYONWWRNVOFNX-UHFFFAOYSA-N 308.366 5.207 10 1 DKCF Cc1ccc(C(C)C)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587944640 GNJFLAQDOISFSU-UHFFFAOYSA-N 311.375 5.854 10 1 DKCF CC(C)c1ccc(C(C)C)c(/N=N/c2ccc(C(=O)O)cc2)c1 40465232 LVGBSHUSUKCJGR-QZQOTICOSA-N 310.397 6.047 10 1 DKCF CCCCn1c(O)c(/N=N/c2ccccc2O)c2ccccc21 36389223 ROUWLSYGZNMXGO-FMQUCBEESA-N 309.369 5.268 10 1 DKCF C[C@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1ccccc1 169728121 IYGIMRJTLDXBAF-ZKNCDPSRSA-N 311.385 5.794 10 1 DKCF [N-]=[N+]=N[C@@H]1CCC[C@@H](c2cc(=O)c3ccc4ccccc4c3o2)C1 1857535291 KEXCKERNPSRBNS-ZIAGYGMSSA-N 319.364 5.283 10 1 DKCF C[C@@H](/N=N/c1nc(-c2ccc(F)cc2)cs1)c1ccncc1 169728156 IQJXTNMVFMCCNF-PQOIGDABSA-N 312.373 5.189 10 1 DKCF CCCC1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CCC1 586877938 XWMZSDGVRWATSK-UHFFFAOYSA-N 321.424 5.159 10 1 DKCF [N-]=[N+]=NCCCCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 587260326 RHWIFGJFELXSLR-UHFFFAOYSA-N 312.204 5.283 10 1 DKCF CCCCC/C=C/CCCCCCCCc1cccc(O)c1O 238737222 BEIALPTVCHLTEV-VOTSOKGWSA-N 318.501 6.508 10 1 DKCF Clc1nc2ccccc2cc1C/N=N/c1nc2ccccc2[nH]1 169686776 INRXFQHXQYBYNJ-FCDQGJHFSA-N 321.771 5.048 10 1 DKCF Cc1ccc2ncc(C)c(/C=C/c3ccc(N(C)C)cc3)c2c1 13221203 NAXBXNZTMVWFRI-DHZHZOJOSA-N 302.421 5.088 10 1 DKCF Cc1cc(/C=C/c2c(C)cnc3ccccc23)ccc1N(C)C 36381116 YRUNFTYUYXGEHI-PKNBQFBNSA-N 302.421 5.088 10 1 DKCF [N-]=[N+]=N[C@H]1CC[C@@H](c2cc(=O)c3ccc4ccccc4c3o2)CC1 1857546178 MCMLNAPQDOZTMY-OKILXGFUSA-N 319.364 5.283 10 1 DKCF C=C/[N+]([O-])=N/CCCCCCCC(=O)CCCCC[C@@H](C)CC 1857557555 WCXIXALVVJEISW-OQLSDQBISA-N 324.509 5.999 10 1 DKCF Cc1cc2c(n1-c1ccc(-c3cccc(F)c3)c(F)c1)CCCC2 587946536 YVISZUHMGSYLFJ-UHFFFAOYSA-N 323.386 5.610 10 1 DKCF Cc1ccc2[nH]c(O)c(/N=N\c3nc4ccccc4s3)c2c1 13879218 TUYONWWRNVOFNX-VXPUYCOJSA-N 308.366 5.207 10 1 DKCF CCOc1cccc(-c2ccc(NCc3ccccc3O)cc2)c1 473084573 RUXJFMDVCJWMIV-UHFFFAOYSA-N 319.404 5.070 10 1 DKCF Cc1cc(N=Nc2ccccc2)cc(C)c1NC(=O)C(F)(F)F 263591357 XSWZKBHVZIYAFR-UHFFFAOYSA-N 321.302 5.220 10 3 DKCF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@@H]1CC2 13302317 MUVSVZOWXAYLSD-MGPUTAFESA-N 302.458 5.251 10 1 DKCF biogenic Cc1cc2c(n1-c1cc(Cl)cc(Br)c1)CCCC2 587941051 PIFPLXNLSWHGHV-UHFFFAOYSA-N 324.649 5.080 10 1 DKCF Oc1ccccc1CNc1ccc(-c2cccc(Cl)c2)cc1 473085227 VYRLMNMWMGMXMJ-UHFFFAOYSA-N 309.796 5.325 10 1 DKCF C[C@@H](COc1ccccc1)/N=N/c1nc(-c2ccccc2)cs1 169728447 ATXRRSHTVZBLDX-PXKHIBQASA-N 323.421 5.361 10 1 DKCF CC(C)c1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1C(C)C 34110919 WRUGQQVPJFNGIK-QZQOTICOSA-N 310.397 6.047 10 1 DKCF Oc1[nH]c2ccccc2c1N=Nc1nc(-c2ccccc2)cs1 617960020 BCGBRIYJZICEFD-UHFFFAOYSA-N 320.377 5.412 10 1 DKCF Cc1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc1C 587920842 OQTJEGMCKAUPQU-UHFFFAOYSA-N 308.450 5.160 10 1 DKCF CCCCn1c(O)c(N=Nc2ccccc2O)c2ccccc21 254010723 ROUWLSYGZNMXGO-UHFFFAOYSA-N 309.369 5.268 10 1 DKCF CCc1c(-c2c(C)c3ccccc3n2C)[nH]c2cccc(F)c12 587636280 USUJVDIETHQSNX-UHFFFAOYSA-N 306.384 5.337 10 1 DKCF CC1=C(Cc2cccc(O)c2O)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 29570375 RGXHQHCVLLBPDB-WIYYLYMNSA-N 314.469 5.583 10 1 DKCF Fc1ccccc1-c1ccc(C/N=N/c2nc3ccccc3[nH]2)o1 169700622 LMAYLOZMYMCWIB-BSYVCWPDSA-N 320.327 5.246 10 1 DKCF CC(C)c1cc2c(c(O)c1O)C[C@@H]1CCCC(C)(C)[C@H]1CC2 2356735476 BPLSSVSOQVAUAE-YOEHRIQHSA-N 302.458 5.152 10 1 DKCF Cc1ccc(C)c(-n2c(C)cc(CNCc3ccccc3)c2C)c1 1911583940 NSQMGDBRTXFMGF-UHFFFAOYSA-N 318.464 5.001 10 1 DKCF CCOc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccccc1 66166707 IEGFGHKYOUUPHH-UHFFFAOYSA-N 307.437 5.287 10 1 DKCF C[C@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1ccco1 169728162 FQDXPRKIOHMHNI-BUCDZPDJSA-N 319.336 5.526 10 1 DKCF C/C(=C\CN=[N+]=[N-])CCC[C@H](C)CCC[C@H](C)CCCC(C)C 45352838 JRQXBWXUQRYIAE-PYDDKJGSSA-N 321.553 7.682 10 1 DKCF Oc1ccc(N=Nc2ccccc2C(F)(F)F)c2cccnc12 253917110 GCNPQACYJBNCKQ-UHFFFAOYSA-N 317.270 5.375 10 1 DKCF CC(C)c1ccccc1Nc1c2ccccc2nc2ccccc12 5314917 XQYXUACMFMBAOZ-UHFFFAOYSA-N 312.416 6.255 10 1 DKCF