smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1c2c3ccccc3nc-2cc2c(Cl)c(Cl)ccc21 136072472 OTFJUWKIEROWJE-UHFFFAOYSA-N 301.176 5.138 5 1 DKBF O=[N+]([O-])c1ccc(-c2ccccc2Nc2ccccc2)cc1F 1857617874 HFISRMQINZZVHD-UHFFFAOYSA-N 308.312 5.145 5 1 DKBF C[n+]1c2ccccc2c(Nc2ccccc2)c2[nH]c3ccccc3c21 64560426 JDZIZNYWQVUZPS-UHFFFAOYSA-O 324.407 5.042 5 1 DKBF Oc1ccc2ccc3[nH]c4ccc(-c5ccccc5)cc4c3c2c1 14945697 XBONSLQMWVVOQR-UHFFFAOYSA-N 309.368 5.847 5 1 DKBF Cc1ccc(-c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1C 587920884 PKAZIDRJMJKTNR-UHFFFAOYSA-N 310.378 5.002 5 1 DKBF CC[C@@H](C)c1ccc2[nH]c(C)c(Cc3ccccc3[N+](=O)[O-])c2c1 587642777 OTFCSAIUJRHBQT-CYBMUJFWSA-N 322.408 5.489 5 1 DKBF CCC[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)C(C)C 587955979 MXTHXGPRFOPCJW-ZDUSSCGKSA-N 318.424 5.199 5 1 DKBF CC(C)COC(=O)Nc1cc2cccc3ccc4cccc1c4c32 299839615 SRWQYYKAESHBRQ-UHFFFAOYSA-N 317.388 5.789 5 1 DKBF c1ccc([C@H]2Nc3ccc4cc5ccccc5nc4c3CO2)cc1 40567669 VUKMDNGUZFMBCL-NRFANRHFSA-N 312.372 5.029 5 1 DKBF CC(C)COCNc1cc2cccc3ccc4cccc1c4c32 299821975 CTQPVOAGRYFZKN-UHFFFAOYSA-N 303.405 5.626 5 1 DKBF O=c1cc(-c2c3ccccc3cc3ccccc23)oc2ccccc12 261083138 CBJSAUZJPKNIJI-UHFFFAOYSA-N 322.363 5.766 5 1 DKBF Oc1ccc2ccc3[nH]c4cccc(-c5ccccc5)c4c3c2c1 14945698 DTCKKUUDKWGGNB-UHFFFAOYSA-N 309.368 5.847 5 1 DKBF Cc1cccc2c1ccc1c3ccc4c(c3ccc21)CC[C@@H]4C(C)C 2356499350 BWEUAUBLLYNQBH-QGZVFWFLSA-N 324.467 7.140 5 1 DKBF CC(=O)OCc1cc2ccccc2c2ccc3ccccc3c12 1841999 PGBXBJXJTLTDSA-UHFFFAOYSA-N 300.357 5.209 5 1 DKBF Oc1ccc2ccc3[nH]c4cc(-c5ccccc5)ccc4c3c2c1 14945696 JLJDTRAZKUDAQG-UHFFFAOYSA-N 309.368 5.847 5 1 DKBF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C1 587969343 NAGXIJLJHOGOIC-NXEZZACHSA-N 321.808 5.054 5 1 DKBF Cn1c(-c2ccc(Cl)c(Cl)c2)cc2cc([N+](=O)[O-])ccc21 1857758617 SZAIZNHVMVEXAU-UHFFFAOYSA-N 321.163 5.060 5 1 DKBF Oc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1 1772570392 GKNIEMZYGQZOGN-UHFFFAOYSA-N 321.379 5.914 5 1 DKBF CCCCn1c(=O)c2ccccc2c2cc3ccccc3cc21 49110827 PUCYTRUMOKBXSY-UHFFFAOYSA-N 301.389 5.108 5 1 DKBF CC[C@@H](C)c1ccc2[nH]c(C[N+](=O)[O-])c(-c3ccccc3)c2c1 587642574 MQSGUFRIFLPJHC-CYBMUJFWSA-N 308.381 5.125 5 1 DKBF O=[N+]([O-])c1ccc(-c2cc3ccccc3s2)c2ncccc12 1857755932 PJEANCXXMHLKML-UHFFFAOYSA-N 306.346 5.025 5 1 DKBF OCc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 586895187 SWQRMUNYEOWEFF-UHFFFAOYSA-N 324.383 5.029 5 1 DKBF CC(C)C1CCC(c2cc(=O)c3ccc4ccccc4c3o2)CC1 1857569359 GIZPFCPRNVZOGR-UHFFFAOYSA-N 320.432 5.876 5 1 DKBF C=C=C[C@H]1CC[C@@H](c2cc(=O)c3ccc4ccccc4c3o2)CC1 1857594084 MEXPNMGWMKCEES-WOVMCDHWSA-N 316.400 5.561 5 1 DKBF CCCCCCc1ccc(Oc2cccc([N+](=O)[O-])c2)c(O)c1 29050104 ZPFZCOJDEYCPSH-UHFFFAOYSA-N 315.369 5.216 5 1 DKBF in-vivo CCCCC1CCC(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 586890275 OBNFNPQZJUHCDJ-UHFFFAOYSA-N 319.380 5.074 5 1 DKBF CCCCCCNc1cccc(NCCCCCC)c1[N+](=O)[O-] 95604787 CPOLITFWCDKZTI-UHFFFAOYSA-N 321.465 5.579 5 1 DKBF Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587644386 AIEFZONAEOATOM-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF Fc1ccc(-c2cc(=S)c3ccc4ccccc4c3o2)cc1 1857565056 ZDRKZYAFBRJJIG-UHFFFAOYSA-N 306.361 6.122 5 1 DKBF Cn1c2c3ccccc3nc-2cc2cc(Cl)c(Cl)cc21 135683706 OCAQRIKVEUPKDU-UHFFFAOYSA-N 301.176 5.138 5 1 DKBF Cc1ccc(-n2c3ccccc3c3ccc4ccccc4c32)cc1 96937732 MMABFBORKGXENW-UHFFFAOYSA-N 307.396 6.245 5 1 DKBF CC[C@H](C[C@@H](CC)c1ccc(C[N+](C)(C)C)cc1)c1ccccc1 40526188 PNGAAUYGDNJBAB-NHCUHLMSSA-N 324.532 5.970 5 1 DKBF c1ccc([C@H]2C[C@H](c3c4ccccc4cc4ccccc34)N=N2)cc1 169724719 BQGQZXQTMPUOBR-FGZHOGPDSA-N 322.411 6.631 5 1 DKBF Cc1c(-c2c(Cl)cccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587645070 UDUROEUZNONFFI-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF CC[C@@H](C)c1ccc2[nH]c(-c3cc([N+](=O)[O-])ccc3O)c(C)c2c1 587644034 ZJQFLFGAANLXGS-LLVKDONJSA-N 324.380 5.271 5 1 DKBF c1ccc2c(c1)ccc1c3[nH]cc4nc5ccccc5c-4c3[nH]c21 100640723 OTNGVZAWMDQVDO-UHFFFAOYSA-N 307.356 5.455 5 1 DKBF c1ccc(Oc2c3ccccc3nc3oc4ccccc4c23)cc1 45318752 OYYFKSYWJPJXFM-UHFFFAOYSA-N 311.340 5.927 5 1 DKBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccc1C(F)(F)F 587646578 VVOWUANXLUQLCG-UHFFFAOYSA-N 320.270 5.070 5 1 DKBF c1ccc([C@H]2C[C@@H](c3c4ccccc4cc4ccccc34)N=N2)nc1 169724729 BCDYNUAMNOVRRM-RTWAWAEBSA-N 323.399 6.026 5 1 DKBF Cc1ccc(-c2c(C)[nH]c3c(C)cc(Cl)cc23)c([N+](=O)[O-])c1 587625993 AZGAMAHMJRKZTN-UHFFFAOYSA-N 314.772 5.322 5 1 DKBF CC/C(=C/c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)c1ccc(C)cc1 587965579 BWNNWCBTQYPIRQ-UVTDQMKNSA-N 321.380 5.039 5 1 DKBF c1ccc([C@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)cc1 71296418 QJWINFIMUCWAJE-OAQYLSRUSA-N 322.411 5.432 5 1 DKBF O=c1cc(-c2cccc(Cl)c2)oc2ccc3ccccc3c12 1857654116 KPBMOJMOZSNKJN-UHFFFAOYSA-N 306.748 5.267 5 1 DKBF CC[C@H](C)c1ccc2[nH]c(C[N+](=O)[O-])c(-c3ccccc3)c2c1 587642575 MQSGUFRIFLPJHC-ZDUSSCGKSA-N 308.381 5.125 5 1 DKBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cccc(C(F)(F)F)c1 587646663 ZUNOIXVWTABMKS-UHFFFAOYSA-N 320.270 5.070 5 1 DKBF Oc1ccc2c(ccc3[nH]c4c(-c5ccccc5)cccc4c32)c1 14945692 GBIKETASOUVBSJ-UHFFFAOYSA-N 309.368 5.847 5 1 DKBF COc1cccc(-c2cc(=S)c3ccc4ccccc4c3o2)c1 1857600124 OKRNWWFCOXQENH-UHFFFAOYSA-N 318.397 5.991 5 1 DKBF CC1(C)C=Cc2c(c3ccoc3c3oc4c(O)cccc4c23)O1 64415692 ZSMMKJRUHRQXAJ-UHFFFAOYSA-N 306.317 5.222 5 1 DKBF C[C@H]1CCO[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C1 586917014 JWMIHWSJFJZXBU-UGSOOPFHSA-N 316.404 5.357 5 1 DKBF CC(C)(C)c1cc2cc3cc(C(C)(C)C)c(N)cc3nc2cc1N 5314324 MJGGZONRLLIBJX-UHFFFAOYSA-N 321.468 5.147 5 1 DKBF CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cc(Cl)c(F)cc12 587631596 QDEMSDSOPNKIMH-UHFFFAOYSA-N 318.735 5.098 5 1 DKBF CC(=O)c1ccc(Cc2c3ccccc3nc3ccccc23)cc1 169325246 QSKKZJXVBUEKEJ-UHFFFAOYSA-N 311.384 5.181 5 1 DKBF Cc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c(C)cc(Cl)cc12 587627423 VQVUKEPDXBUGQG-UHFFFAOYSA-N 300.745 5.013 5 1 DKBF Cc1c2ccncc2c(C)c2c1[nH]c1ccc(OC(C)(C)C)cc12 13221004 SCQKKVVJCVNXQD-UHFFFAOYSA-N 318.420 5.663 5 1 DKBF COc1ccc(Nc2ccccc2-c2ccc([N+](=O)[O-])cc2)cc1 1857587455 WFWHZOLOXBPZGC-UHFFFAOYSA-N 320.348 5.014 5 1 DKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)cc3)c(C3CC3)c12 587645207 ZKMDDLMNJGGIOC-UHFFFAOYSA-N 312.756 5.274 5 1 DKBF CCC(C)(C)c1ccc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)cc1 586882261 YLJVKUGXUPHCEB-UHFFFAOYSA-N 323.396 5.134 5 1 DKBF Cn1c2c3ccccc3nc-2c(-c2ccccc2)c2ccccc21 101376296 MCLRBNDRGXNSGV-UHFFFAOYSA-N 308.384 5.498 5 1 DKBF O=[N+]([O-])c1ccc(SN(c2ccccc2)c2ccccc2)cc1 84636023 FQZCTIJRHODUJW-UHFFFAOYSA-N 322.389 5.440 5 1 DKBF CCCCCCNc1ccc([N+](=O)[O-])c(NCCCCCC)c1 95605021 RDHQTTFSPVGCEL-UHFFFAOYSA-N 321.465 5.579 5 1 DKBF CCc1cc2c3c4cc(C)c(C)cc4nc-3cc(C)n2nc1CC 377385979 XWJDVWWZDSQLMK-UHFFFAOYSA-N 317.436 5.037 5 1 DKBF c1ccc([C@H]2C[C@H](c3c4ccccc4cc4ccccc34)N=N2)nc1 169724731 BCDYNUAMNOVRRM-NHCUHLMSSA-N 323.399 6.026 5 1 DKBF Cn1c2ccccc2c(=Nc2ccccc2)c2oc3ccccc3c21 1772605197 DTRWXIHHARZYDU-UHFFFAOYSA-N 324.383 5.310 5 1 DKBF O=c1cc(-c2ccccc2)c2ccc3oc4ccccc4c3c2o1 40915532 MDCBJABYBXMZLT-UHFFFAOYSA-N 312.324 5.359 5 1 DKBF O=[N+]([O-])c1ccc2c(-c3ccccc3)c(C(F)(F)Cl)[nH]c2c1 587645607 ZNHKYCGKWSJIIU-UHFFFAOYSA-N 322.698 5.031 5 1 DKBF Clc1ccc(Cc2c3ccccc3nc3ccccc23)cc1 147527642 MDSINZWIUCYLPS-UHFFFAOYSA-N 303.792 5.632 5 1 DKBF CCC[C@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)C(C)C 587955556 JIAFWSFZLIEPQO-HNNXBMFYSA-N 316.448 6.409 5 1 DKBF CCc1ccc(-c2nc3ccccc3c3c2[nH]c2ccccc23)cc1 299864278 REWNBXCEDWNHFL-UHFFFAOYSA-N 322.411 6.099 5 1 DKBF CC[C@@]1(C)C[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 586887356 GBZAPXPZRPBHAT-UWJYYQICSA-N 300.405 5.773 5 1 DKBF Cc1ccc(-c2c(C)[nH]c3cc(Cl)c(F)cc23)c([N+](=O)[O-])c1 587630739 BYQQZFBDLSOWJN-UHFFFAOYSA-N 318.735 5.152 5 1 DKBF Nc1ccc2ccc3[nH]c4c(-c5ccccc5)cccc4c3c2c1 14945694 YUZWPIRVTXPBSJ-UHFFFAOYSA-N 308.384 5.724 5 1 DKBF c1ccc([C@H]2C[C@@H](c3c4ccccc4cc4ccccc34)N=N2)cc1 169724717 BQGQZXQTMPUOBR-YADHBBJMSA-N 322.411 6.631 5 1 DKBF O=[N+]([O-])c1ccc(Sn2c3ccccc3c3ccccc32)cc1 84636025 QDNNGFGYTADXRA-UHFFFAOYSA-N 320.373 5.258 5 1 DKBF O=c1c2ccccc2oc2cc(-c3ccc4cc[nH]c4c3)ccc12 61949557 JFLLYGMYKINQPZ-UHFFFAOYSA-N 311.340 5.095 5 3 DKBF CCCCn1c(=O)c2ccccc2c2c3ccccc3ccc21 49067880 PMDQQOZGYFRLMT-UHFFFAOYSA-N 301.389 5.108 5 1 DKBF C[N+]1(C)[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1 13671760 JQDGHZVJQFDVDC-ZRZAMGCNSA-N 322.516 5.250 5 1 DKBF c1ccc(Nc2c3ccccc3nc3oc4ccccc4c23)cc1 45285815 XSGYSGDBVMAGNM-UHFFFAOYSA-N 310.356 5.878 5 1 DKBF CCCCn1c(=O)c2ccccc2c2cc(C(C)(C)C)ccc21 49112121 ZSNPVTVSKMYBCK-UHFFFAOYSA-N 307.437 5.252 5 1 DKBF c1ccc([C@@H]2C[C@H](c3c4ccccc4cc4ccccc34)N=N2)cc1 169724718 BQGQZXQTMPUOBR-FCHUYYIVSA-N 322.411 6.631 5 1 DKBF Fc1cncc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587176668 CBKGQLMBSSTWBA-UHFFFAOYSA-N 313.335 5.070 5 1 DKBF Cc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645706 BLTDMWONWCARNJ-UHFFFAOYSA-N 320.270 5.070 5 1 DKBF CCN(CC)c1ccc2cc3ccc(N(CC)CC)cc3nc2c1 5139520 AKEZAUUAKLJLRE-UHFFFAOYSA-N 321.468 5.080 5 1 DKBF Cc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1C 587920082 DDVKKEQJIMMTKZ-UHFFFAOYSA-N 310.378 5.002 5 1 DKBF c1ccc2c(c1)ccc1[nH]c3c4c5ccccc5nc-4c[nH]c3c12 100640713 SWPUIKLHKNFXEG-UHFFFAOYSA-N 307.356 5.455 5 1 DKBF Cc1ccccc1Nc1ccccc1-c1ccccc1[N+](=O)[O-] 1857604503 QNQSZPGBAPIZJA-UHFFFAOYSA-N 304.349 5.314 5 1 DKBF C=Cc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586882140 UWGULJPAQHDERE-UHFFFAOYSA-N 320.395 6.179 5 1 DKBF CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccc([C@H](C)CC)cc12 587643146 RFLWYTGUCXSXJE-CYBMUJFWSA-N 322.408 5.819 5 1 DKBF CSCn1ccc2c(C)c3nc4ccccc4c3c(C)c2c1 377437672 XICMLHPFJQLYCL-UHFFFAOYSA-N 306.434 5.280 5 1 DKBF O=c1cc(-c2ccc(Cl)cc2)sc2c1ccc1ccccc12 1857569778 DNYWFHXEMAGZGI-UHFFFAOYSA-N 322.816 5.735 5 1 DKBF Cn1c2c3ccc(Cl)cc3nc-2c(Cl)c2ccccc21 6523723 JSQTYHIYRFYQOA-UHFFFAOYSA-N 301.176 5.138 5 1 DKBF c1ccc(Cn2c3c4ccccc4nc-3cc3ccccc32)cc1 139141391 WPLHLSWOFZCGHW-UHFFFAOYSA-N 308.384 5.343 5 1 DKBF O/N=c1\cc(-c2cccc(Cl)c2)oc2c1ccc1ccccc12 1857559138 PXUQTXLDECAMOU-HEHNFIMWSA-N 321.763 5.196 5 1 DKBF O=c1cc(-c2ccc3ccccc3c2)oc2c1ccc1ccccc12 169337355 BJHHUCWIZYTCMY-UHFFFAOYSA-N 322.363 5.766 5 1 DKBF Cc1c(-c2ccccc2C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645720 BWJIXOPRXDPFQJ-UHFFFAOYSA-N 320.270 5.070 5 1 DKBF Fc1ccccc1-c1cc(=S)c2ccc3ccccc3c2o1 1857604916 MFVYFWGKEIXBEP-UHFFFAOYSA-N 306.361 6.122 5 1 DKBF CC[C@H](C)c1ccc2[nH]c(C)c(Oc3ccccc3[N+](=O)[O-])c2c1 587641050 DNVZROOIYGKSCV-LBPRGKRZSA-N 324.380 5.690 5 1 DKBF CC[C@H](C)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)c(C)c2c1 587641407 FORWKXOJWSSXMJ-LBPRGKRZSA-N 308.381 5.565 5 1 DKBF CCc1ccc(Nc2cc(=O)oc3c2ccc2ccccc23)cc1 53298206 UMDNBLXHEXJRPX-UHFFFAOYSA-N 315.372 5.252 5 1 DKBF Cn1c2nc3ccccc3c-2c(Nc2ccccc2)c2ccccc21 100380081 SAMIUTCECPIVQO-UHFFFAOYSA-N 323.399 5.575 5 1 DKBF CCCCCn1cnc2c3c(Cl)c4ccccc4nc3ccc21 103172540 RPZCLVGODFCVIM-UHFFFAOYSA-N 323.827 5.581 5 1 DKBF O=[N+]([O-])c1cccc2[nH]c(C(F)(F)Cl)c(-c3ccccc3)c12 587645602 ZJHMDYBFZICOOH-UHFFFAOYSA-N 322.698 5.031 5 1 DKBF COc1ccc2ccc3[nH]c4c(-c5ccccc5)cccc4c3c2c1 14945690 RISSIURCOICTNB-UHFFFAOYSA-N 323.395 6.150 5 1 DKBF O/N=c1\cc(-c2ccc(Cl)cc2)oc2c1ccc1ccccc12 1857566331 RSBONSBJHAWTOB-HEHNFIMWSA-N 321.763 5.196 5 1 DKBF CC(C)[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)N(C)C 587198760 NULUNTJIDROIDC-FQEVSTJZSA-N 317.436 5.128 5 1 DKBF Oc1cccc2c1ccc1[nH]c3c(-c4ccccc4)cccc3c12 14945693 VVJYONGLBNOBBD-UHFFFAOYSA-N 309.368 5.847 5 1 DKBF c1ccc([C@@H]2C[C@@H](c3c4ccccc4cc4ccccc34)N=N2)cc1 169724716 BQGQZXQTMPUOBR-VXKWHMMOSA-N 322.411 6.631 5 1 DKBF O=c1cc(-c2ccccc2)c2cc3c(cc2o1)oc1ccccc13 40913972 JUSZFTAGSHZRRE-UHFFFAOYSA-N 312.324 5.359 5 1 DKBF O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587920731 NWVLHEUOEAJIHN-UHFFFAOYSA-N 316.769 5.039 5 1 DKBF Cc1ccc(-c2c(C)[nH]c3ccc(F)c(Cl)c23)c([N+](=O)[O-])c1 587631597 QDKUTRSLZLZHAG-UHFFFAOYSA-N 318.735 5.152 5 1 DKBF CC[C@H]1CCc2c1ccc1c2ccc2c3cccc(C)c3ccc12 90415629 PLRIOJGBYCEMLT-INIZCTEOSA-N 310.440 6.894 5 1 DKBF O=Cc1c[nH]c2c1ccc1c3cc(-c4ccccc4)ccc3[nH]c12 45288760 MXUOJMMSWVSNGG-UHFFFAOYSA-N 310.356 5.282 5 1 DKBF OCc1ccc(Sc2c3ccccc3nc3ccccc23)cc1 13603439 WAKHBKOFPYWXCW-UHFFFAOYSA-N 317.413 5.032 5 1 DKBF Clc1ccc(Nc2ncnc3cc4ccccc4cc23)cc1 84669488 BUJHRJLTINCUGI-UHFFFAOYSA-N 305.768 5.180 5 1 DKBF O=[N+]([O-])c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1 210974666 HUNIPMHHDRUVLO-UHFFFAOYSA-N 314.344 5.410 5 1 DKBF CCCc1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644920 QVKLESQWGNWQKT-UHFFFAOYSA-N 314.772 5.349 5 1 DKBF CCCCN(CCCC)c1cc(=O)c2ccc3ccccc3c2o1 13676975 HHQMAKWBMPQPJU-UHFFFAOYSA-N 323.436 5.353 5 1 DKBF Cn1cc2c3cc(Cl)ccc3nc-2c2cc(Cl)ccc21 299860410 JGJTZMGGUFDGSF-UHFFFAOYSA-N 301.176 5.138 5 1 DKBF Oc1ccc2ccc3[nH]c4c(-c5ccccc5)cccc4c3c2c1 14945689 HSIDWRRUWKYLPW-UHFFFAOYSA-N 309.368 5.847 5 1 DKBF Cc1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12 587646110 KDELLRXAJFPHRY-UHFFFAOYSA-N 320.270 5.070 5 1 DKBF c1ccc([C@@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)cc1 71296417 QJWINFIMUCWAJE-NRFANRHFSA-N 322.411 5.432 5 1 DKBF O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1-c1ccsc1 103208591 SZEMHSJINCYBLH-UHFFFAOYSA-N 308.573 5.284 5 1 DKBF Cc1ccccc1Nc1ccccc1-c1ccc([N+](=O)[O-])cc1 1857581893 SRTNEQSPQAWJHW-UHFFFAOYSA-N 304.349 5.314 5 1 DKBF CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c(C)cc(Cl)cc12 587627416 VLQMXMRTFQBGHR-UHFFFAOYSA-N 314.772 5.267 5 1 DKBF c1ccc(-c2c3ccccc3nc3nc4ccccc4cc23)cc1 139016395 RCJBEZZIGKYGNB-UHFFFAOYSA-N 306.368 5.603 5 1 DKBF c1ccc2c(c1)c1ccccc1c1[nH]c(-c3occ4c3CCC4)nc21 586905265 ISSWQXQKDICOHH-UHFFFAOYSA-N 324.383 5.618 5 1 DKBF Cc1cc([N+](=O)[O-])ccc1-c1ccccc1N(C)c1ccccc1 1857606660 JUIHMGRUNISMNA-UHFFFAOYSA-N 318.376 5.338 5 1 DKBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cc(Cl)ccc1Cl 587644997 UBRCKNWOYJMIHZ-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF CCCCn1c(=O)c2ccc3ccccc3c2c2ccccc21 49067882 ZPSKISUXEAHVFQ-UHFFFAOYSA-N 301.389 5.108 5 1 DKBF CCC[C@@H](Cc1ccccc1)[N+](C)(C)CCCc1ccccc1 13735992 JQLRJDMOWGOLOE-QFIPXVFZSA-N 310.505 5.107 5 1 DKBF Cc1cccc2c1ccc1c3ccc4c(c3ccc21)CC[C@H]4C(C)C 238736680 BWEUAUBLLYNQBH-KRWDZBQOSA-N 324.467 7.140 5 1 DKBF c1ccc(CCCNc2ccnc3cc4ccccc4cc23)cc1 3148985 UDPKCQLVVAGUAV-UHFFFAOYSA-N 312.416 5.433 5 1 DKBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1c(Cl)cccc1Cl 587645095 VERWACBZFUPTPM-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF CC/C(=C\c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)c1ccc(C)cc1 587965576 BWNNWCBTQYPIRQ-GXDHUFHOSA-N 321.380 5.039 5 1 DKBF CC(C)CC[N+]([O-])(CCc1c[nH]c2ccccc12)CCC(C)C 71333417 WFKOOIFWIKDLTA-UHFFFAOYSA-N 316.489 5.117 5 1 DKBF CCCCn1c(=O)c2cc3ccccc3cc2c2ccccc21 49069949 KNVSRUWIMYQXES-UHFFFAOYSA-N 301.389 5.108 5 1 DKBF CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccc(C)cc3[N+](=O)[O-])c2c1 587641034 DJNVYVRTNRKMMN-ZDUSSCGKSA-N 322.408 5.873 5 1 DKBF O=[N+]([O-])c1ccc2c(C3CC3)c(-c3ccc(Cl)cc3)[nH]c2c1 587644878 PMRVSJYIACOZRW-UHFFFAOYSA-N 312.756 5.274 5 1 DKBF O=[N+]([O-])c1ccc(-c2cc3cc(Cl)cc(Cl)c3o2)cc1 1772639880 QCEHPJBTGALMHM-UHFFFAOYSA-N 308.120 5.315 5 1 DKBF Cn1c2nc3ccccc3c-2c(Cl)c2cc(Cl)ccc21 101633783 KXDLUXXIZCTWHN-UHFFFAOYSA-N 301.176 5.138 5 1 DKBF CCCCCCc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(O)c1 29050109 NNNQXCYHIVPZRH-UHFFFAOYSA-N 315.369 5.216 5 1 DKBF in-vivo c1ccc([C@@H]2Nc3ccc4cc5ccccc5nc4c3CO2)cc1 40567667 VUKMDNGUZFMBCL-OAQYLSRUSA-N 312.372 5.029 5 1 DKBF Oc1cccc2c(-c3ccccc3)c3cc4ccccc4cc3nc12 1772641075 SJSVIPVWONPWEV-UHFFFAOYSA-N 321.379 5.914 5 1 DKBF CC[N+](CC)(CC)COc1ccc(/C=C\c2ccccc2)cc1 7997254 QXMGSJSQHWXUQG-SEYXRHQNSA-N 310.461 5.070 5 1 DKBF C[N+]1(C)[C@H](/C=C/c2ccccc2)CCC[C@H]1/C=C/c1ccccc1 13671758 WQOPRBNLTAHLNU-CHCWKLOASA-N 318.484 5.411 5 1 DKBF CCCCn1c(=O)c2c3ccccc3ccc2c2ccccc21 49126314 DBQFIDMDLULNGT-UHFFFAOYSA-N 301.389 5.108 5 1 DKBF Cn1c2c3ccccc3nc-2c(Cl)c2cc(Cl)ccc21 203834335 HYEJLOCPMNYCAD-UHFFFAOYSA-N 301.176 5.138 5 1 DKBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(Cl)cc1Cl 587644985 SXOPLMMUOFALQL-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1ccccc1)c1ccccc1)C2 103233976 CTONCXSGQXCJCF-FJPGZJACSA-N 318.484 5.136 5 1 DKBF O=[N+]([O-])c1ccc2nc3c(c(-c4ccccc4)c2c1)CCCCC3 103266807 LIXPGQKGCDZBRO-UHFFFAOYSA-N 318.376 5.079 5 1 DKBF O=c1cc(-c2ccccc2F)sc2c1ccc1ccccc12 1857595650 YJKHADKUGZKXCS-UHFFFAOYSA-N 306.361 5.221 5 1 DKBF Cc1cccc(C)c1Nc1ccccc1-c1ccccc1[N+](=O)[O-] 1857608626 DAWTVTJJGZPDKK-UHFFFAOYSA-N 318.376 5.622 5 1 DKBF CCC[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)C(C)C 587955976 MXTHXGPRFOPCJW-CYBMUJFWSA-N 318.424 5.199 5 1 DKBF C/C(=C/c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C1CCCCC1 587968057 OARIBEWRQICZCY-YFHOEESVSA-N 319.792 5.108 5 1 DKBF C[N+]1(C)[C@H](/C=C/c2ccccc2)CCC[C@@H]1/C=C/c1ccccc1 13671757 WQOPRBNLTAHLNU-BKJAFQMZSA-N 318.484 5.411 5 1 DKBF CC1(C)CCC(C)(C)c2cc3c(cc21)[nH]c(=O)c1ccccc13 49068853 ZBRGOBULCDUFHF-UHFFFAOYSA-N 305.421 5.030 5 1 DKBF Cc1c(-c2c(Cl)cccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587645111 VXGDTAUITOGTMQ-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF CC[C@]1(C)C[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 586887354 GBZAPXPZRPBHAT-LAUBAEHRSA-N 300.405 5.773 5 1 DKBF Fc1ccc(-c2cc3c(ccc4oc5ccccc5c43)o2)c(F)c1 96931848 HLRPTRJOGBSNSC-UHFFFAOYSA-N 320.294 6.277 5 1 DKBF C=C=C[C@H]1CC[C@H](c2cc(=O)c3ccc4ccccc4c3o2)CC1 1857614252 MEXPNMGWMKCEES-JCNLHEQBSA-N 316.400 5.561 5 1 DKBF S=c1cc(-c2ccc(Cl)cc2)oc2c1ccc1ccccc12 1857573156 WVZZVKVSTUCHMC-UHFFFAOYSA-N 322.816 6.636 5 1 DKBF Cn1c2nc3ccccc3c-2c(Cl)c2ccc(Cl)cc21 101631436 YZKXWEYADZVCRI-UHFFFAOYSA-N 301.176 5.138 5 1 DKBF O=C(c1c2ccccc2cc2ccccc12)c1coc2ccccc12 587280368 BXNUZNHVXZWKMD-UHFFFAOYSA-N 322.363 5.970 5 1 DKBF Cn1c2c3ccccc3nc-2c(Nc2ccccc2)c2ccccc21 169729271 KJMAOATWEKZEHW-UHFFFAOYSA-N 323.399 5.575 5 1 DKBF CCCCC1CCC(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CC1 586884233 MALHBZMGPPAQCD-UHFFFAOYSA-N 315.417 5.244 5 1 DKBF O=C1c2ccccc2OC[C@H]1c1cc2ccccc2c2ccccc12 84603565 HXNIBHQNVNLBLN-NRFANRHFSA-N 324.379 5.352 5 1 DKBF CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccc(F)c(Cl)c12 587631618 QQSHQJGDDPIASG-UHFFFAOYSA-N 318.735 5.098 5 1 DKBF c1ccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)cc1 473153286 ZUWSAONIZYHSNF-UHFFFAOYSA-N 309.372 5.613 5 1 DKBF COc1ccc(-c2cc3c(ccc4oc5ccccc5c43)o2)cc1 96931840 PQXFNFDFFCJHHF-UHFFFAOYSA-N 314.340 6.008 5 1 DKBF S=c1cc(-c2cccc(Cl)c2)oc2c1ccc1ccccc12 1857600361 HKZNACOYQJLQLO-UHFFFAOYSA-N 322.816 6.636 5 1 DKBF Cn1c(-c2ccccc2)cc2c3ccsc3c3ccsc3c21 1861772 ITNNWRSCEHRMRR-UHFFFAOYSA-N 319.454 6.275 5 1 DKBF Clc1ccc2[nH]c3c4ccccc4nc4cccc(c2c1)c43 29341881 OAWVHMBLUJUHOX-UHFFFAOYSA-N 302.764 5.676 5 1 DKBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(Cl)cc1Cl 587644813 OZHIWCMXPBGGCR-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF COc1cc([N+](=O)[O-])ccc1-c1ccccc1Nc1ccccc1 1857596356 PRIDEEIOLNOMRR-UHFFFAOYSA-N 320.348 5.014 5 1 DKBF Fc1cccc(-c2cc(=S)c3ccc4ccccc4c3o2)c1 1857602058 MVNWMQOXXGUGKP-UHFFFAOYSA-N 306.361 6.122 5 1 DKBF COc1ccc(-c2nc3ccccc3c3c2[nH]c2ccccc23)cc1 299859157 HSCGLUSTUXNZKC-UHFFFAOYSA-N 324.383 5.545 5 1 DKBF O=[N+]([O-])c1cccc(-c2nc(-c3cccc(Cl)c3)cs2)c1 587920134 GADAQDXNOVSLPO-UHFFFAOYSA-N 316.769 5.039 5 1 DKBF O=c1c2ccccc2oc2ccc(-c3ccc4cc[nH]c4c3)cc12 61969059 CVZTUHLCWOSNBE-UHFFFAOYSA-N 311.340 5.095 5 3 DKBF CC[C@H](C)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)c(OC)c2c1 587644100 ZTZCGTKPTDJVQW-LBPRGKRZSA-N 324.380 5.265 5 1 DKBF CCc1cc2cc3ccccc3cc2cc1CC(=O)C(F)(F)F 26641188 YKLGSCNKMMTEHW-UHFFFAOYSA-N 316.322 5.229 5 1 DKBF Cc1c2ccncc2c(C)c2c1[nH]c1ccc(OC(C)C)cc12 13221006 QXCXUBSKGBSIRB-UHFFFAOYSA-N 304.393 5.273 5 1 DKBF O=[N+]([O-])c1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1 72170617 GTLAYKWRUWSFRN-VMPITWQZSA-N 313.403 5.555 5 1 DKBF Cn1cc2c3ccc4ccccc4c3nc-2c2cc(Cl)ccc21 299867731 YPZDVSOOXADXHV-UHFFFAOYSA-N 316.791 5.638 5 1 DKBF OCc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586895498 JZIRLOMBFZBDKR-UHFFFAOYSA-N 324.383 5.029 5 1 DKBF c1ccc2cc3c(cc2c1)nc1c2ccccc2[nH]c2cccc3c21 5940431 NTROXJIODHYHAS-UHFFFAOYSA-N 318.379 6.176 5 1 DKBF CC(C)c1ccc(Sc2ccc([N+](=O)[O-])cc2Cl)cc1 299820258 FUELCGRKIUNNRQ-UHFFFAOYSA-N 307.802 5.523 5 1 DKBF Cc1ccc2[nH]c3ccccc3c(=Nc3cccc(Cl)c3)c2c1 1772646428 NTJHNNJRLBMCFB-UHFFFAOYSA-N 318.807 5.515 5 1 DKBF O=[N+]([O-])CCCCCCCCCC/C=C\CCc1cccnc1 14614172 KBCWINLTFNVXAF-CLFYSBASSA-N 318.461 5.358 5 1 DKBF Cc1cccc(C)c1-c1cc(=O)c2c(ccc3ccccc32)o1 45357599 ZPCAYLZYHOXXJR-UHFFFAOYSA-N 300.357 5.230 5 1 DKBF CC[C@H](C)c1ccc2[nH]c(-c3cc([N+](=O)[O-])ccc3O)c(C)c2c1 587644035 ZJQFLFGAANLXGS-NSHDSACASA-N 324.380 5.271 5 1 DKBF CC1=CC(C)(C)Nc2ccc(-c3cc(F)cc([N+](=O)[O-])c3)cc21 13780968 FWUZRFHZKYRBHJ-UHFFFAOYSA-N 312.344 5.008 5 1 DKBF CC[C@@H](C)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)c(OC)c2c1 587644098 ZTZCGTKPTDJVQW-GFCCVEGCSA-N 324.380 5.265 5 1 DKBF O=C(c1cccs1)c1cc2c(ccc3ccccc32)oc1=S 84653743 HKKGHWTYJKTAFV-UHFFFAOYSA-N 322.410 5.608 5 1 DKBF CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccc([C@@H](C)CC)cc12 587643148 RFLWYTGUCXSXJE-ZDUSSCGKSA-N 322.408 5.819 5 1 DKBF C[C@@H]1CC=CC[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587967940 UWQCSWCANFRULY-HUUCEWRRSA-N 312.416 5.939 5 1 DKBF O=[N+]([O-])c1ccc(-c2ccccc2Nc2ccccc2)c(Cl)c1 1857603458 MPTGOCQXIHVYGU-UHFFFAOYSA-N 324.767 5.659 5 1 DKBF O=c1cc(-c2ccccc2Cl)oc2c1ccc1ccccc12 13608123 ATYSZLHAEGYNES-UHFFFAOYSA-N 306.748 5.267 5 1 DKBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cc(Cl)ccc1Cl 587644872 PGSQJELZNFWCAQ-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF Cc1cccn2c1cc1c3ccccc3nc(-c3cccs3)c12 1857634945 ZRMCIPHADNOVHO-UHFFFAOYSA-N 314.413 5.678 5 1 DKBF Oc1cccc2ccc3[nH]c4c(-c5ccccc5)cccc4c3c12 14945691 IGSLBHQFJWTCNI-UHFFFAOYSA-N 309.368 5.847 5 1 DKBF CCCCCCc1ccc(Oc2ccccc2[N+](=O)[O-])c(O)c1 29050100 ASCHWJRXPZBPHV-UHFFFAOYSA-N 315.369 5.216 5 1 DKBF in-vivo O=c1cc(-c2cccc(Cl)c2)sc2c1ccc1ccccc12 1857540454 LBZBOWMAEGALTF-UHFFFAOYSA-N 322.816 5.735 5 1 DKBF CC(C)c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl 222152627 XAVIQTANLJGRLO-UHFFFAOYSA-N 307.802 5.523 5 1 DKBF c1ccc(Nc2nc3ccccc3c3[nH]c4ccccc4c23)cc1 45356431 WKMWKSBFTLWIJS-UHFFFAOYSA-N 309.372 5.613 5 1 DKBF Cc1cc(Sc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 40874199 HFZYPHTTYCFJEF-UHFFFAOYSA-N 314.193 5.361 5 1 DKBF FC(F)C(F)(F)c1nc2c3ccccc3c3ccccc3c2[nH]1 587089554 UUCFVOXIFKNTBK-UHFFFAOYSA-N 318.273 5.226 5 1 DKBF O=[N+]([O-])c1c2c(c3ccc4cccc5ccc1c3c45)CCCC2 6094631 PEWFNAORWLNPHN-UHFFFAOYSA-N 301.345 5.371 5 1 DKBF CC(C)=CCC/C(C)=C\c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587966118 AVULHMVFZOJGKE-XFFZJAGNSA-N 319.792 5.274 5 1 DKBF CC(C)(C)c1cc(Cl)c2c(c1)C[N+](C)(C)C1(CCCCC1)O2 39318375 LKRGEYSUWSBRPB-UHFFFAOYSA-N 322.900 5.267 5 1 DKBF CCCCNc1nnc(NCCCC)c2cc3ccccc3cc12 2010249 BICRNIHGDJRZHF-UHFFFAOYSA-N 322.456 5.207 5 1 DKBF CC[C@@H](C)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)c(C)c2c1 587641402 FORWKXOJWSSXMJ-GFCCVEGCSA-N 308.381 5.565 5 1 DKBF CC(C)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644938 RIDLDOKTKQJACX-UHFFFAOYSA-N 314.772 5.520 5 1 DKBF Cc1ccc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1C 587921468 YFVIYQUTAYTGEJ-UHFFFAOYSA-N 310.378 5.002 5 1 DKBF c1ccc(Cn2c3ccccc3c3nc4ccccc4cc32)cc1 39130313 YELAFIFOXLGJKW-UHFFFAOYSA-N 308.384 5.391 5 1 DKBF CCCN(CCC)C[C@@H](O)c1cc2ccccc2c2ccccc12 100690660 FPAYFILORKIFGN-JOCHJYFZSA-N 321.464 5.148 5 1 DKBF CC[C@@]1(C)C[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 586887355 GBZAPXPZRPBHAT-UTKZUKDTSA-N 300.405 5.773 5 1 DKBF Cc1c2ccc3ccccc3c2c(C)c2c1ccc1ccccc12 43676834 BSSDJTZAIHVWAM-UHFFFAOYSA-N 306.408 6.916 5 1 DKBF CNC(=O)Nc1c2ccccc2c2ccc3cccc4ccc1c2c43 33607674 BRZOCLVBOXAQBG-UHFFFAOYSA-N 324.383 5.489 5 1 DKBF in-vitro C1=C[C@@H]2C[C@H]1C[C@H]2c1nc2c3ccccc3c3ccccc3c2[nH]1 587967551 PTKWMSYPRZKTLE-IQUTYRLHSA-N 310.400 5.549 5 1 DKBF CC(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(Cl)cc1 587644881 PRZGPBBTDSGYQL-UHFFFAOYSA-N 314.772 5.520 5 1 DKBF Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587644622 IIQAKDQVIRYBBZ-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF CC[C@@H](C[C@@H](CC)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1 40526192 PNGAAUYGDNJBAB-RTWAWAEBSA-N 324.532 5.970 5 1 DKBF C[n+]1c2ccccc2c(-c2ccccc2)c2cc3ccccc3cc21 1772604049 BSHMSDPUSBYRLM-UHFFFAOYSA-N 320.415 5.638 5 1 DKBF CC[C@]1(C)C[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 586887347 GBZAPXPZRPBHAT-DYESRHJHSA-N 300.405 5.773 5 1 DKBF CC(C)(C)c1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587646054 RXDFVEKGZXIATD-UHFFFAOYSA-N 312.344 5.180 5 1 DKBF O=c1c2ccccc2oc2ccc(-c3ccc4[nH]ccc4c3)cc12 12476717 QHBULSMFFXTEHH-UHFFFAOYSA-N 311.340 5.095 5 3 DKBF Cc1c2cccc-2ccc2c1[nH]c1ccc(Br)cc12 1660879 SSHOSGKMDLCKMC-UHFFFAOYSA-N 310.194 5.497 5 1 DKBF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(C[N+](=O)[O-])c2c1 587644003 YSAACMHXFDUWFC-ZDUSSCGKSA-N 308.381 5.125 5 1 DKBF Cc1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646433 SOCOVVLNRZTLRN-UHFFFAOYSA-N 320.270 5.070 5 1 DKBF CC(C)c1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(Cl)cc1 587644936 REMNFIDMKTXMFS-UHFFFAOYSA-N 314.772 5.520 5 1 DKBF Cc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587646290 NFSKUHYTHCFLQR-UHFFFAOYSA-N 320.270 5.070 5 1 DKBF C[N+]1(C)[C@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 13671762 JQDGHZVJQFDVDC-GOTSBHOMSA-N 322.516 5.250 5 1 DKBF Cc1c2c(cc3c1ccc1ccccc13)C[N+]1(CCCCC1)C2 3205188 CQPOVJVHEPURII-UHFFFAOYSA-N 302.441 5.316 5 1 DKBF CCCC/C=C\c1nc2c3ccccc3c3ccccc3c2[nH]1 587965348 KJHLTKOWOGJVID-RZNTYIFUSA-N 300.405 6.073 5 1 DKBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cccc(C(F)(F)F)c1 587646327 OBSBXXOJCVSFHS-UHFFFAOYSA-N 320.270 5.070 5 1 DKBF Cn1c2nc3ccccc3c-2c(Cl)c2c(Cl)cccc21 101633780 GMAXHWYIZQGKAG-UHFFFAOYSA-N 301.176 5.138 5 1 DKBF Nc1cccc(-c2cccc3c2[nH]c2ccc4ccc(O)cc4c23)c1 14945702 HUTFUJBMULIPDT-UHFFFAOYSA-N 324.383 5.429 5 1 DKBF Cc1[nH]c2c(C)cc(Cl)cc2c1Oc1ccccc1[N+](=O)[O-] 587627500 ZDRMMWWKBIVPQX-UHFFFAOYSA-N 316.744 5.139 5 1 DKBF Cc1[nH]c2c(C)c3c([nH]c4ccc(Cl)cc43)c(C)c2c(=O)c1C 13897449 WTVRDTIRZJVFJR-UHFFFAOYSA-N 324.811 5.050 5 1 DKBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cc(Cl)cc(Cl)c1 587645075 UMLXQHQSPWMJRC-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF O=[N+]([O-])CCCCCCCCCCC=CCCc1cccnc1 2356807228 KBCWINLTFNVXAF-UHFFFAOYSA-N 318.461 5.358 5 1 DKBF Cn1c2c3ccc(Cl)cc3nc-2cc2cc(Cl)ccc21 136562887 ZCJLBAFXZXXSFM-UHFFFAOYSA-N 301.176 5.138 5 1 DKBF CC[C@H](C)c1ccc2[nH]c(C)c(Cc3ccccc3[N+](=O)[O-])c2c1 587642779 OTFCSAIUJRHBQT-ZDUSSCGKSA-N 322.408 5.489 5 1 DKBF Cc1cnc(Sc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 299820262 FZKOHEXYRCBOEM-UHFFFAOYSA-N 322.389 5.116 5 1 DKBF Cc1c(Cl)c(=O)oc2c1ccc1c3ccccc3sc12 299835796 LUZUSJUJVZWYRF-UHFFFAOYSA-N 300.766 5.123 5 1 DKBF c1ccc([C@@H]2C[C@H](c3c4ccccc4cc4ccccc34)N=N2)nc1 169724730 BCDYNUAMNOVRRM-LEWJYISDSA-N 323.399 6.026 5 1 DKBF CCCC1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCC1 586877639 INTUIGWXEWYUBD-UHFFFAOYSA-N 314.432 6.091 5 1 DKBF COc1cccc(Nc2ccccc2)c1-c1ccc([N+](=O)[O-])cc1 1857581828 ZVMBNIPLWQTADX-UHFFFAOYSA-N 320.348 5.014 5 1 DKBF O=c1cc(-c2cccc(Cl)c2)oc2c1ccc1ccccc12 13608125 GTBLQVSIEGDPPV-UHFFFAOYSA-N 306.748 5.267 5 1 DKBF O=c1cc(-c2ccc(Cl)cc2)oc2c1ccc1ccccc12 13608128 PRPWNWMQYBSZAV-UHFFFAOYSA-N 306.748 5.267 5 1 DKBF [C-]#[N+]c1c(OC)c2c3ccccc3[nH]c2c2[nH]c3ccccc3c12 206394748 GPZJGQJTKQWWFI-UHFFFAOYSA-N 311.344 5.515 5 3 DKBF Cn1c2c3ccccc3nc-2c(Cl)c2c(Cl)cccc21 203838269 OHUXCMZQQKJFHR-UHFFFAOYSA-N 301.176 5.138 5 1 DKBF O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)CCCC4 5845512 GMGGMXJWIUFFNB-UHFFFAOYSA-N 301.345 5.371 5 1 DKBF Oc1ccc2ccc3cc4c(ccc5ccc(O)cc54)cc3c2c1 238764021 RJQPCQJIJGDFAF-UHFFFAOYSA-N 310.352 5.711 5 1 DKBF CC(C)=CCC/C(C)=C/c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587966130 AVULHMVFZOJGKE-YRNVUSSQSA-N 319.792 5.274 5 1 DKBF Cc1cccc2c1ccc1c(/C=C/c3ccccc3)cc(=O)oc12 1857568006 XJVHBENMQYGKJW-ZHACJKMWSA-N 312.368 5.425 5 1 DKBF CCCN(CCC)C[C@H](O)c1cc2ccccc2c2ccccc12 100690657 FPAYFILORKIFGN-QFIPXVFZSA-N 321.464 5.148 5 1 DKBF O=c1cc(-c2ccccc2Cl)sc2c1ccc1ccccc12 1857547579 JQCFOQVVYGOZGF-UHFFFAOYSA-N 322.816 5.735 5 1 DKBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(C(F)(F)F)cc1 587646108 KDDMPWXGDXVSOA-UHFFFAOYSA-N 320.270 5.070 5 1 DKBF CC(C)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645123 WOHHJGRMHHBWIO-UHFFFAOYSA-N 314.772 5.520 5 1 DKBF O=[N+]([O-])c1ccccc1-c1nc(-c2cccc(Cl)c2)cs1 587920430 KMCMWAKUYHCQNQ-UHFFFAOYSA-N 316.769 5.039 5 1 DKBF CCC[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)C(C)C 587955140 GIPGYZNMLBBZJO-ZDUSSCGKSA-N 318.424 5.199 5 1 DKBF Cn1c2c3cc(Cl)ccc3nc-2c(Cl)c2ccccc21 377472656 AYVWYJCBFWSPPS-UHFFFAOYSA-N 301.176 5.138 5 1 DKBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(C(F)(F)F)cc1 587646368 QHIJUIDDWVWULJ-UHFFFAOYSA-N 320.270 5.070 5 1 DKBF Nc1cccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)c1 1772631995 KUWWJAWMZVFEJJ-UHFFFAOYSA-N 324.387 5.195 5 1 DKBF Oc1ccc2cc3nc4ccccc4c(-c4ccccc4)c3cc2c1 1772602737 WRMFUZWOYCTBQL-UHFFFAOYSA-N 321.379 5.914 5 1 DKBF CC[C@@H](C[C@@H](CC)c1ccc(C[N+](C)(C)C)cc1)c1ccccc1 40526186 PNGAAUYGDNJBAB-LEWJYISDSA-N 324.532 5.970 5 1 DKBF CC(C)(C)c1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587646033 QUAZEBXREYMEMX-UHFFFAOYSA-N 312.344 5.180 5 1 DKBF CCC[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)C(C)C 587955570 JIAFWSFZLIEPQO-OAHLLOKOSA-N 316.448 6.409 5 1 DKBF c1ccc2c(c1)c1ccccc1c1[nH]c(-c3ccoc3C3CC3)nc21 586901473 LBCJJJSKXLJZCL-UHFFFAOYSA-N 324.383 6.007 5 1 DKBF O=C(c1ccco1)c1cc2c(ccc3ccccc32)oc1=S 84655024 PWZREBZGZXEGKT-UHFFFAOYSA-N 306.342 5.139 5 1 DKBF CCC[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)C(C)C 587955134 GIPGYZNMLBBZJO-CYBMUJFWSA-N 318.424 5.199 5 1 DKBF FC1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCCCC1 587132130 KPJVJHIPPSAQIO-UHFFFAOYSA-N 318.395 5.998 5 1 DKBF Cc1c2ccn(C)cc2c(C)c2c1nc1ccc(OC(C)C)cc12 377431451 PSZHOBCNABRJKP-UHFFFAOYSA-N 318.420 5.284 5 1 DKBF Cc1c(-c2ccccc2C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646083 JDCFTESUUFLJKO-UHFFFAOYSA-N 320.270 5.070 5 1 DKBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(Cl)c(Cl)c1 587644992 TXOOSNTUDWEWGJ-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF CCCC/C=C/c1nc2c3ccccc3c3ccccc3c2[nH]1 587965343 KJHLTKOWOGJVID-LHHJGKSTSA-N 300.405 6.073 5 1 DKBF COc1ccc(Nc2ccnc3cc4ccccc4cc23)cc1 309086 FWHYKOKBMBFEEG-UHFFFAOYSA-N 300.361 5.140 5 1 DKBF COc1ccc2ccc3c4ccccc4c(OC)c4ccc1c2c43 6019015 MGZUIFMCVYHRBW-UHFFFAOYSA-N 312.368 5.754 5 1 DKBF CN1CCCC[C@@H]1/C=C/c1c2ccccc2cc2ccccc12 28253810 HSNXYFHBWRGJNE-JKIKYLSZSA-N 301.433 5.491 5 1 DKBF COc1ccc(-c2nc3c4ccoc4c4ccccc4c3[nH]2)cc1 96928753 SIBHHRUGKNSXQD-UHFFFAOYSA-N 314.344 5.138 5 1 DKBF CC(C)c1ccc(Sc2ccc(Cl)cc2[N+](=O)[O-])cc1 299829445 VAIGRMBXHQTXIW-UHFFFAOYSA-N 307.802 5.523 5 1 DKBF Cc1cc(-c2c3ccccc3[n+](C)c3ccccc23)cc(C)c1C 1772644193 AZHUBFUGJZMQBS-UHFFFAOYSA-N 312.436 5.410 5 1 DKBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(Cl)c(Cl)c1 587644404 BAZAZNCASXMIJW-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF CC[C@@H](C[C@H](CC)c1ccc(C[N+](C)(C)C)cc1)c1ccccc1 40526190 PNGAAUYGDNJBAB-SFTDATJTSA-N 324.532 5.970 5 1 DKBF CC[N+](CC)(CC)COc1ccc(/C=C/c2ccccc2)cc1 4475267 QXMGSJSQHWXUQG-OUKQBFOZSA-N 310.461 5.070 5 1 DKBF CC(=O)c1ccc(Oc2c3ccccc3nc3ccccc23)cc1 5597200 IFNCLUIRBZQNJU-UHFFFAOYSA-N 313.356 5.383 5 1 DKBF C/C(=C\c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C1CCCCC1 587968056 OARIBEWRQICZCY-JXMROGBWSA-N 319.792 5.108 5 1 DKBF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(C[N+](=O)[O-])c2c1 587644002 YSAACMHXFDUWFC-CYBMUJFWSA-N 308.381 5.125 5 1 DKBF Cc1c2ccccc2c(C)n2c1nc1cc(Cl)c(Cl)cc12 1638780 STTZONQMPVMBOV-UHFFFAOYSA-N 315.203 5.564 5 1 DKBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1c(Cl)cccc1Cl 587645227 ZZMFBAVZVIVYIZ-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF CN1CCCC[C@H]1/C=C/c1c2ccccc2cc2ccccc12 28253813 HSNXYFHBWRGJNE-KQDNUWKFSA-N 301.433 5.491 5 1 DKBF Cn1c2c3ccccc3nc-2c(Cl)c2ccc(Cl)cc21 377836306 GRMWZTPOQNHCCF-UHFFFAOYSA-N 301.176 5.138 5 1 DKBF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccc(C)cc3[N+](=O)[O-])c2c1 587641033 DJNVYVRTNRKMMN-CYBMUJFWSA-N 322.408 5.873 5 1 DKBF Nc1nc2c3ccccc3cc(-c3ccco3)c2c2ccccc12 28476384 VEEPUFCCRHJBPA-UHFFFAOYSA-N 310.356 5.383 5 1 DKBF O=C1c2ccccc2OC[C@@H]1c1cc2ccccc2c2ccccc12 84603568 HXNIBHQNVNLBLN-OAQYLSRUSA-N 324.379 5.352 5 1 DKBF CCC[C@H](Cc1ccccc1)[N+](C)(C)CCCc1ccccc1 13735995 JQLRJDMOWGOLOE-JOCHJYFZSA-N 310.505 5.107 5 1 DKBF CCCc1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645092 VCMPNTBLCACFTH-UHFFFAOYSA-N 314.772 5.349 5 1 DKBF CC[C@@H](C)c1ccc2[nH]c(C)c(Oc3ccccc3[N+](=O)[O-])c2c1 587641049 DNVZROOIYGKSCV-GFCCVEGCSA-N 324.380 5.690 5 1 DKBF Cc1ccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)cc1 473144343 APLOVPAJRTZVAF-UHFFFAOYSA-N 323.399 5.921 5 1 DKBF CC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1c[nH]c([N+](=O)[O-])c1 66104805 SDKSFPZFFMRPPX-GESPRJTDSA-N 316.445 5.885 5 1 DKBF CSCC(C)(C)c1nc2c3ccccc3c3ccccc3c2[nH]1 586968572 FZJWSQZGFWICLA-UHFFFAOYSA-N 320.461 5.510 5 1 DKBF COc1cc2c3ccccc3c(OC)c3ccc4cccc1c4c32 6017932 ZKDWUINEEFMCJX-UHFFFAOYSA-N 312.368 5.754 5 1 DKBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccccc1C(F)(F)F 587646350 PPEUNJPLGOLCQN-UHFFFAOYSA-N 320.270 5.070 5 1 DKBF CCCCn1c2cc(O)ccc2c2ccc3cc(O)ccc3c21 27302658 JKAUTCJAFCZIHC-UHFFFAOYSA-N 305.377 5.159 5 1 DKBF c1ccc(-c2c3ccccc3nc3cc4ccccc4cc23)cc1 1772607269 CUXRHNIRWBJOLJ-UHFFFAOYSA-N 305.380 6.208 5 1 DKBF c1ccc([C@@H]2C[C@@H](c3c4ccccc4cc4ccccc34)N=N2)nc1 169724728 BCDYNUAMNOVRRM-SFTDATJTSA-N 323.399 6.026 5 1 DKBF CN(c1ccccc1)c1ccccc1-c1ccc([N+](=O)[O-])cc1 1857589041 CEBUCYZUAKBXLF-UHFFFAOYSA-N 304.349 5.030 5 1 DKBF O=c1c2ccccc2oc2cc(-c3ccc4[nH]ccc4c3)ccc12 12476867 KHDPUEGXJWQTFK-UHFFFAOYSA-N 311.340 5.095 5 3 DKBF O=C(/C=C/c1c2ccccc2cc2ccccc12)N1CCCCC1 103228243 KKYZKXVQSGEMKB-OUKQBFOZSA-N 315.416 5.019 5 1 DKBF c1ccc(CNc2nc3ccccc3c3[nH]c4ccccc4c23)cc1 169309450 PLTLORYTQHAHRX-UHFFFAOYSA-N 323.399 5.481 5 1 DKBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cc(Cl)cc(Cl)c1 587645082 UPUAYPYRVRKEBY-UHFFFAOYSA-N 321.163 5.358 5 1 DKBF c1csc(-c2nc3ccccc3c3cc4ccccn4c23)c1 1857629921 SHJMGMSWKQAQNL-UHFFFAOYSA-N 300.386 5.369 5 1 DKBF CCCCn1c(=O)c2ccccc2c2ccc3ccccc3c21 49125801 GSNIUPGGFXDMBF-UHFFFAOYSA-N 301.389 5.108 5 1 DKBF Clc1cccc(Nc2nc3ccccc3c3cnccc23)c1 66104862 WLTKVXUNZNPNRQ-UHFFFAOYSA-N 305.768 5.180 5 1 DKBF c1ccc(CNCc2ccc3ccc4cccc5ccc2c3c45)cc1 26469937 PWJDJBOSZYVAIB-UHFFFAOYSA-N 321.423 5.874 5 1 DKBF