smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1ccc(/N=N/c2cccc(/N=N/c3ccc(N)cc3N)c2)c(N)c1 100048752 BDFZFGDTHFGWRQ-OGGGYYITSA-N 346.398 4.846 10 50 EJCA in-vitro Cc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)o1 1208174 BEYXPRHIWLIRQR-DHDCSXOGSA-N 329.446 4.611 10 50 EJCA Oc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccc(F)cc1 4841208 TUGRAKNQRVNNEC-OAQYLSRUSA-N 345.377 4.676 10 50 EJCA CCN(CC)C/C=C/c1c(F)c(F)c(N2CCCCC2)c(F)c1F 2863268 VHEAKADZIYPSLC-CMDGGOBGSA-N 344.396 4.588 10 50 EJCA CCN(CC)c1ccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)cc1 1430289 AUQVCALVNFDFDL-OAQYLSRUSA-N 332.451 4.677 10 50 EJCA C[C@H]1C[C@H](NCCc2ccc3[nH]ccc3c2)c2c(O)ccc(Cl)c21 1875341074 FJYQDICDRUUDMG-SJCJKPOMSA-N 340.854 4.908 10 50 EJCA CCN(CC)c1ccc([C@@H]2NN=C(c3ccc(C)cc3)S2)cc1 2987406 PQHUTGFVVLBFRK-LJQANCHMSA-N 325.481 4.538 10 50 EJCA O=[N+]([O-])c1ccc(N=Nc2ccc(O)c3ccccc23)c([N+](=O)[O-])c1 254798535 UZDCSGURJIPTEA-UHFFFAOYSA-N 338.279 4.777 10 50 EJCA COc1cccc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)c1 4628853 YRNXMLPAARLHOT-BKUYFWCQSA-N 342.398 4.655 10 50 EJCA O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(Cl)cc1 94892 RGNAXOOBVCUXPQ-UHFFFAOYSA-N 331.824 4.876 10 50 EJCA Cc1ccc(Cl)cc1Nc1nc(-c2sc(N)nc2C)cs1 613062 YNKSISRFNKZNAE-UHFFFAOYSA-N 336.873 4.863 10 50 EJCA COc1ccc(C)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@@H]21 5812204 RIIOHIUWEGYOJT-GPMSIDNRSA-N 335.403 4.528 10 50 EJCA Cc1cccc(NC2=NC(=O)/C(=C\c3ccccc3F)S2)c1C 4567511 IOAPKCVVACTRPA-MHWRWJLKSA-N 326.396 4.525 10 50 EJCA COc1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 13389405 JLGXPLMOEUEIGL-VFVRVIDISA-N 340.354 4.569 10 50 EJCA COc1cccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@H]3C=CC[C@H]32)c1OC 4183304 PFQLKUOLASFGDB-GCKMJXCFSA-N 349.430 4.733 10 50 EJCA CCN(CC)Cc1cc(Br)cc(-c2ccccc2)c1O 96026331 NYNVXWXTECIYCC-UHFFFAOYSA-N 334.257 4.664 10 50 EJCA Cc1ccc(C)c(C2=C/C(=C/c3cc([N+](=O)[O-])ccc3C)C(=O)O2)c1 313630 LKGGHXDYNWUXTQ-SXGWCWSVSA-N 335.359 4.501 10 50 EJCA COc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(C)cc2)cc1 233939 PTYAJMSVGMUCFR-UHFFFAOYSA-N 343.430 4.955 10 50 EJCA COc1ccc(C)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 13389533 RIIOHIUWEGYOJT-TXPKVOOTSA-N 335.403 4.528 10 50 EJCA Oc1ccc2ncccc2c1[C@@H](Nc1ccccn1)c1ccccc1 4842349 JCZHIEQXDWYEEL-NRFANRHFSA-N 327.387 4.537 10 50 EJCA CCCCOc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 2171063 PXYSZMPROCEFOQ-UHFFFAOYSA-N 338.451 4.718 10 50 EJCA CCOc1cc(C)c(/C=C2\SC(=S)N(CC)C2=O)cc1C(C)C 1163642 HRMVMFACZSAPIL-YBEGLDIGSA-N 349.521 4.738 10 50 EJCA Clc1ccc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 1423766 HONIJXQMYCSNQV-UHFFFAOYSA-N 335.794 4.772 10 50 EJCA Oc1ccccc1C1=NN(c2ccccc2)[C@H](c2ccc(F)cc2)C1 13121745 AZFVNSILTBVJIL-FQEVSTJZSA-N 332.378 4.887 10 50 EJCA biogenic Cc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 1190106 LMTUGXPFPQSTMJ-MTOJCTJASA-N 339.485 4.957 10 50 EJCA O=c1c(-c2ccccc2)coc2c(CN3CCCCCC3)c(O)ccc12 19596394 OUZLXGYFLIOSOY-UHFFFAOYSA-N 349.430 4.542 10 50 EJCA biogenic Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(=O)O)cc1 570938 JJVSQEOORBMSSU-UHFFFAOYSA-N 337.400 4.674 10 50 EJCA COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 4371919 OQMZDIRZHMKGTG-RLFYNMQTSA-N 339.822 4.953 10 50 EJCA COc1ccc(C)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 4638527 RIIOHIUWEGYOJT-FRQCXROJSA-N 335.403 4.528 10 50 EJCA C[C@H]1CCCCN1Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 123376 JGAUFMZMPSQKEH-HNNXBMFYSA-N 349.430 4.540 10 50 EJCA biogenic CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cccc2ccccc12 1857524926 JTECCSQYZCZRAR-UHFFFAOYSA-N 341.414 4.867 10 50 EJCA COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2 111478790 WGBCTMBCHGBEBX-CKNLXJGOSA-N 337.394 4.747 10 50 EJCA O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(O)cc1 94936 CTDLYQFDJSGZKU-UHFFFAOYSA-N 341.794 4.521 10 50 EJCA Cc1ccccc1/C=C1\SC(=S)N(c2ccccc2C)C1=O 16193323 VKDYNUCLGWRLEE-WJDWOHSUSA-N 325.458 4.709 10 50 EJCA OC(=C\C=C/N1CCCc2ccccc21)/C=[N+]1\CCCc2ccccc21 39945199 AGXLTCGOEMFIIS-UHFFFAOYSA-O 345.466 4.756 10 50 EJCA Cc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1C 1423520 LJYJKDPGTCMOFZ-UHFFFAOYSA-N 345.402 4.723 10 50 EJCA Cc1ccc([C@H](Nc2ccccn2)c2c(O)ccc3ncccc23)cc1 4843244 DQVBVAOJAOOSFS-QFIPXVFZSA-N 341.414 4.845 10 50 EJCA O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1cccc(Cl)c1 441705 IPXOBZKXFIKQNV-NTEUORMPSA-N 332.787 4.562 10 50 EJCA Cc1cccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)c1 6924260 VSJICEZDAIPSHH-XNTDXEJSSA-N 329.421 4.540 10 50 EJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 4008061 ZNUJLLXTCNTMOF-HLIPFELVSA-N 337.394 4.829 10 50 EJCA CC1=C(C(=O)OCC(C)C)Sc2ccc(C(F)(F)F)cc2N1 85068 UCMSFGSFHPCQCU-UHFFFAOYSA-N 331.359 4.654 10 50 EJCA CCCCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S 5503569 RGEXWGQXDWEWAF-XYOKQWHBSA-N 346.304 4.995 10 50 EJCA C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccs2)SC1=S 5050458 ZSAIEANMWVDUGX-ZTMOJVSCSA-N 331.487 4.711 10 50 EJCA COc1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4320918 JLGXPLMOEUEIGL-LXIYXOSZSA-N 340.354 4.569 10 50 EJCA CCN(CC)c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1 277403 JFDUNNTVXUDHSF-UHFFFAOYSA-N 338.470 4.961 10 50 EJCA O=C(O)c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 4237756 YWWGHMWJSACFCU-HDMKZQKVSA-N 325.795 4.865 10 50 EJCA CCCCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 2706861 RGEXWGQXDWEWAF-WQLSENKSSA-N 346.304 4.995 10 50 EJCA CC(=O)N[C@H](c1ccc(C(C)C)cc1)c1ccc2ccccc2c1O 310531 XUJLEHPOYDLXTP-OAQYLSRUSA-N 333.431 4.894 10 50 EJCA CCc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1 1151041 KUXBOIBIIRZVFA-SFQUDFHCSA-N 339.485 4.963 10 50 EJCA COc1cccc(CNc2cc(Cl)c(Cl)cc2Cl)c1O 397854 FIUCHDPDPJYICG-UHFFFAOYSA-N 332.614 4.973 10 50 EJCA COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 15163126 LFJQOXLALJZPEQ-MDZRGWNJSA-N 339.822 4.953 10 50 EJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 169682615 ZNUJLLXTCNTMOF-MBOZVWFJSA-N 337.394 4.829 10 50 EJCA CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)NC1=O 15016549 IUJLITCJDGJSKS-WJDWOHSUSA-N 343.473 4.508 10 50 EJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 180347 LBEMODQQJGACLE-SIFCLUCFSA-N 334.375 4.624 10 50 EJCA CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 1456333 BVMYCMVGLYEYLR-LQWHRVPQSA-N 333.431 4.862 10 50 EJCA CCN(Cc1ccccc1Cl)Cc1c(O)ccc2ccncc12 917438906 FKOSSYNFZRHNQH-UHFFFAOYSA-N 326.827 4.616 10 50 EJCA CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1Cl 1857524925 JANWWUWABUSGKW-UHFFFAOYSA-N 346.217 4.712 10 50 EJCA O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H]([C@H]1CC=CCC1)N2 33744438 WCMULIPDJGIOHP-BUWBCJGYSA-N 346.814 4.764 10 50 EJCA Cc1ccc(N2C(=O)/C(=C/c3sccc3C)SC2=S)cc1 1221324 GBZXYPOPTSANFZ-ZROIWOOFSA-N 331.487 4.771 10 50 EJCA CC[C@@H](C)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 1164911 AKHZAUABDIXJHS-HLPMDPMVSA-N 346.304 4.993 10 50 EJCA O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1C1CCCCC1 13616058 FOLBCJTVJVPHDQ-UVTDQMKNSA-N 337.897 4.874 10 50 EJCA c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1 15965745 CEGSUKYESLWKJP-UHFFFAOYSA-N 328.419 4.961 10 50 EJCA investigational CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cccc(C(F)(F)F)c1 102148320 FKWMBTLYMSRLML-SKAIHHOBSA-N 346.312 4.580 10 50 EJCA Cc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 86493 MDKMHIKWIGNKOJ-FQEVSTJZSA-N 341.414 4.845 10 50 EJCA CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 230009141 BVMYCMVGLYEYLR-DBXWQHBBSA-N 333.431 4.862 10 50 EJCA Cc1nn(-c2ccc(F)cc2)c(C)c1N=Nc1cccc([N+](=O)[O-])c1 244691707 JHTTXBHKHDURSS-UHFFFAOYSA-N 339.330 4.952 10 50 EJCA Cc1ccccc1/C=C1\SC(=S)N(c2ccccc2F)C1=O 16193122 AJTBQIAXQADVHQ-GDNBJRDFSA-N 329.421 4.540 10 50 EJCA CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1 100488870 ZKWJBEKSJVCYRR-RIYZIHGNSA-N 347.201 4.505 10 50 EJCA Cc1cccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1C 1086561 OHTIFVSCCWTYTC-YBEGLDIGSA-N 343.448 4.848 10 50 EJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2 5061249 JUYCHQWVDSKDAZ-QEEYODRMSA-N 337.394 4.829 10 50 EJCA C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12 19791533 ZTCLWGZTANQKDF-HNNXBMFYSA-N 349.430 4.540 10 50 EJCA biogenic Nc1nc(-c2cccs2)c(/N=N\c2ccc([N+](=O)[O-])cc2)s1 17111226 OUICIYNGRJTYBD-MSUUIHNZSA-N 331.382 4.777 10 50 EJCA CCN(CC)c1ccc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1 15722632 VBCIZBUZDRQJTE-RGEXLXHISA-N 333.431 4.823 10 50 EJCA C[C@@H](Nc1cccc(Br)c1)c1cc(Cl)ccc1O 617471 UUJROZNSAIIXMR-SECBINFHSA-N 326.621 4.981 10 50 EJCA Oc1c([C@@H](Nc2ccccn2)c2ccccc2F)ccc2cccnc12 86416 MUKYQISWKUJOTN-FQEVSTJZSA-N 345.377 4.676 10 50 EJCA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@H]21 4151428 CXJRSYDLJFHJRW-TXPKVOOTSA-N 336.391 4.738 10 50 EJCA C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 5051157 LKNREEINIRIZAN-PILJQMSFSA-N 343.448 4.788 10 50 EJCA O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 15938710 DEPBWVRTJQCADN-JKIFEVAISA-N 325.795 4.865 10 50 EJCA Cc1ccc(CN(Cc2ccncc2)Cc2cccc(C)c2O)s1 55042486 XDWQKOIECXZTNP-UHFFFAOYSA-N 338.476 4.668 10 50 EJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1)N2 226859685 LKBRYPXSJXQDIM-DBXWQHBBSA-N 349.430 4.698 10 50 EJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 229904903 HYMCVDDWZHBQOW-SNUQEOBHSA-N 325.795 4.865 10 50 EJCA Cc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1C 1828555 GGOKQXIFBTUHMN-YBEGLDIGSA-N 343.448 4.848 10 50 EJCA Oc1ccc(-c2cccnc2)cc1CN1CCC(c2ccccc2)CC1 14986668 KZAGNJXAOVTFSV-UHFFFAOYSA-N 344.458 4.834 10 50 EJCA CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(Cl)cc1Cl 100148621 XAGWBIQIOPTHSE-GXDHUFHOSA-N 346.217 4.712 10 50 EJCA O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc(F)cc1 1187950 HYPDCRMWQZTXFP-NTEUORMPSA-N 349.839 4.885 10 50 EJCA Cc1cc(NCc2cc(Cl)ccc2O)ccc1Br 2544776 FCYZWVQLGLLNAW-UHFFFAOYSA-N 326.621 4.729 10 50 EJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 3684097 HYMCVDDWZHBQOW-VBHSOAQHSA-N 325.795 4.865 10 50 EJCA Oc1ccc(Br)cc1CNc1cccc(C(F)(F)F)c1 87493 CYNXHIKETOAAPK-UHFFFAOYSA-N 346.146 4.786 10 50 EJCA CCN(CC)c1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1 3002522 CKWZYKPCJJSYCM-PXQGNLLHSA-N 346.430 4.542 10 50 EJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 4852946 KGHDYQBQZDWOQU-TXPKVOOTSA-N 336.391 4.820 10 50 EJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@H]21 245232599 YOIYDNCFRCFMAZ-FVQSIRDASA-N 340.423 4.804 10 50 EJCA C[C@@H]1CCCCN1Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 123384 JGAUFMZMPSQKEH-OAHLLOKOSA-N 349.430 4.540 10 50 EJCA biogenic COc1cccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@H]3C=CC[C@@H]32)c1OC 4183301 PFQLKUOLASFGDB-CKJXQJPGSA-N 349.430 4.733 10 50 EJCA O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 17147410 HBHZKFOUIUMKHV-ISLYRVAYSA-N 338.279 4.777 10 50 EJCA in-vitro CCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2OC)cc1 100074394 SXHUBOLNSOIMCA-VHEBQXMUSA-N 328.372 4.865 10 50 EJCA C[C@@H](NCc1cc(-n2cccn2)ccc1O)c1csc2ccccc12 2325878324 LERJHFQBRSRXHD-CQSZACIVSA-N 349.459 4.643 10 50 EJCA O=[N+]([O-])c1ccc(/N=N\c2ccc(O)c3ccccc23)c([N+](=O)[O-])c1 100456316 UZDCSGURJIPTEA-ZCXUNETKSA-N 338.279 4.777 10 50 EJCA CC(=O)c1cccc(-n2c(CCC(=O)O)ccc2-c2ccc(C)cc2)c1 470162 KKNREIUUUYOBQJ-UHFFFAOYSA-N 347.414 4.673 10 50 EJCA Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(N(C)C)cc2)cc1 470606 XFOWFDMQYBEFPK-UHFFFAOYSA-N 348.446 4.536 10 50 EJCA Cc1ccsc1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 1220108 LSVOLEMLOWUGNC-RVDMUPIBSA-N 345.514 4.500 10 50 EJCA CCOc1ccccc1-n1c(CCC(=O)O)ccc1-c1cccs1 94560 QAPDNDVQPVVJIE-UHFFFAOYSA-N 341.432 4.622 10 50 EJCA Cc1ccc(C2=C/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C(=O)O2)cc1 4513162 SZTREJZKLZINMX-RIYZIHGNSA-N 341.750 4.538 10 50 EJCA CCOc1cccc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 4172130 QWJMABCFVYELBB-GJYPPUQNSA-N 335.403 4.610 10 50 EJCA CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 5017940 SBDOAUWESPXGGY-NTEUORMPSA-N 349.864 4.821 10 50 EJCA O=[N+]([O-])c1ccc(Cl)c(C2Nc3cccc4cccc(c34)N2)c1 232260 IIWIPLGHHRKVMX-UHFFFAOYSA-N 325.755 4.938 10 50 EJCA aggregator CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 4008059 ZNUJLLXTCNTMOF-UWVAXJGDSA-N 337.394 4.829 10 50 EJCA CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 5194651 RBUVZCMLXDRKHK-FOWTUZBSSA-N 341.457 4.700 10 50 EJCA O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccc(F)cc1 15724469 DUMQGMKAAFARJF-QSJINSDNSA-N 341.432 4.788 10 50 EJCA CC[C@@H](C)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 1164453 JEOXKKQAFSEVAI-HLPMDPMVSA-N 346.304 4.993 10 50 EJCA CCc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 1160159 UPUWHHUIKLGARC-WJDWOHSUSA-N 343.448 4.794 10 50 EJCA COc1cc2c(cc1NCc1ccc3c(c1)OCO3)oc1ccccc12 3904431 ITSBZBAAEDRNAC-UHFFFAOYSA-N 347.370 4.935 10 50 EJCA aggregator O=C(Nc1sc(-c2ccccc2)cc1C(=O)O)c1ccccc1F 314152 LMNIHLMWNDOKNH-UHFFFAOYSA-N 341.363 4.505 10 50 EJCA COC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 4015368 MLKVTCNOWUQOQC-UHFFFAOYSA-N 328.371 4.918 10 50 EJCA Oc1ccc(C2=NN(c3ccccc3)[C@H](C=C(Cl)Cl)C2)cc1 4011885 SBNNDXKQXGKDGE-AWEZNQCLSA-N 333.218 4.694 10 50 EJCA Cc1nn(Cc2ccccc2)c(C)c1/N=N/c1cccc([N+](=O)[O-])c1 17070455 FBUGAKBHXSFOHY-FMQUCBEESA-N 335.367 4.872 10 50 EJCA Cc1cccc(C)c1N1C(=O)/C(=C/c2cccs2)SC1=S 1136366 VURUIIHUDDJFAY-LCYFTJDESA-N 331.487 4.771 10 50 EJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4718493 NIEIBSOENFBQGF-HLIPFELVSA-N 334.375 4.624 10 50 EJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@H]21 245232601 YOIYDNCFRCFMAZ-PSFFPDNBSA-N 340.423 4.804 10 50 EJCA Cc1nc2sc(C(=O)OCc3ccccc3)c(N)c2c(C)c1Cl 12444712 VJOSYIJWULFTQR-UHFFFAOYSA-N 346.839 4.506 10 50 EJCA CC(/C=C1\SC(=S)N(Cc2ccco2)C1=O)=C\c1ccccc1 4803951 XZQRISJYRXCRHX-VKDWSQHSSA-N 341.457 4.627 10 50 EJCA CN(C)c1ccc(C(c2ccccc2)c2ccc(N(C)C)cc2)cc1 4272012 WZKXBGJNNCGHIC-UHFFFAOYSA-N 330.475 4.999 10 50 EJCA biogenic,in-vitro Cc1cc(C=O)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 4663033 GRZCUVVSCIHDOE-UHFFFAOYSA-N 341.411 4.559 10 50 EJCA CSc1ccccc1-n1c(CCC(=O)O)ccc1-c1ccccc1 32654 KTZDSRRQWHXUBX-UHFFFAOYSA-N 337.444 4.883 10 50 EJCA O=C(O)CCc1ccc(-c2cccs2)n1-c1cc(Cl)ccc1O 470108 IGZHVODKMHSJRY-UHFFFAOYSA-N 347.823 4.582 10 50 EJCA Cc1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1C 1216259 DEPUNDJOHCKUOR-WJDWOHSUSA-N 325.458 4.709 10 50 EJCA Cc1cccc(N2C(=O)/C(=C\c3ccc(C)s3)SC2=S)c1 4819206 RBWSDGARCCABFA-NTEUORMPSA-N 331.487 4.771 10 50 EJCA C[C@H](NCc1cc(-n2cccn2)ccc1O)c1csc2ccccc12 2325878323 LERJHFQBRSRXHD-AWEZNQCLSA-N 349.459 4.643 10 50 EJCA Cc1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)s1 15011101 FCQOKILSAAUNNC-UVTDQMKNSA-N 337.535 4.838 10 50 EJCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 100037478 FSDDLINBXYXAAG-OQLLNIDSSA-N 331.202 4.800 10 50 EJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 101119267 HYMCVDDWZHBQOW-FHSNZYRGSA-N 325.795 4.865 10 50 EJCA Oc1ccc2ccccc2c1CN1CC=C(c2ccc(F)cc2)CC1 212370 ANAOTOZSYVLZNW-UHFFFAOYSA-N 333.406 4.974 10 50 EJCA CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 2678060 DUZYZGMEQCQYBG-RERGGYADSA-N 349.521 4.810 10 50 EJCA C[C@@H](Nc1ccc(Br)cc1)c1ccc(Cl)cc1O 554540 LTVJFIQTZKTLRS-SECBINFHSA-N 326.621 4.981 10 50 EJCA COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 74888 OQMZDIRZHMKGTG-RVKKMQEKSA-N 339.822 4.953 10 50 EJCA CCn1c(/C=C/N(C)c2ccccc2)[n+](CC)c2ccc(Cl)cc21 13125121 LVIRGEJLFNCULO-UHFFFAOYSA-N 340.878 4.729 10 50 EJCA CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cc(C)ccc1C 1857524932 MOKVGMPKSKSTSR-UHFFFAOYSA-N 339.826 4.675 10 50 EJCA CCCCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=S 4749109 COYNEFCIAPOXNT-DTQAZKPQSA-N 348.537 4.534 10 50 EJCA COc1cccc(-c2ccc(O)c(CNC3CCCCCCC3)c2)n1 14979158 NFMFFSIMBUPVGF-UHFFFAOYSA-N 340.467 4.665 10 50 EJCA Oc1c([C@H](Nc2ccccn2)c2ccccc2F)ccc2cccnc12 86430 MUKYQISWKUJOTN-HXUWFJFHSA-N 345.377 4.676 10 50 EJCA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C)cc1)[C@@H]1CC=C[C@H]21 4151426 CXJRSYDLJFHJRW-FRQCXROJSA-N 336.391 4.738 10 50 EJCA Cc1nc(N)sc1-c1csc(Nc2cccc(Cl)c2C)n1 190477 VTTGHLPWXTVZGV-UHFFFAOYSA-N 336.873 4.863 10 50 EJCA O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1C1CCCCC1 1065293 KZXGCTNWMCILSX-MHWRWJLKSA-N 342.489 4.702 10 50 EJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 177918 XGFMWJAYWCXIGY-FUHIMQAGSA-N 334.375 4.624 10 50 EJCA Cc1ccccc1C(=O)Nc1sc(-c2ccccc2)cc1C(=O)O 313956 RWIXDIIEPOGCPK-UHFFFAOYSA-N 337.400 4.674 10 50 EJCA CC(C)CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1103203 ZIUPKIPROZFTAZ-XGICHPGQSA-N 346.304 4.851 10 50 EJCA COc1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4172090 JLGXPLMOEUEIGL-VBHSOAQHSA-N 340.354 4.569 10 50 EJCA Cc1ccccc1[C@H](Nc1ccccn1)c1ccc2cccnc2c1O 2502838 SPRYGMKSLFQEGD-NRFANRHFSA-N 341.414 4.845 10 50 EJCA CC1=NN(c2ccc(Cl)cc2Cl)C(=O)/C1=C\c1ccc(F)cc1 12412733 DOSCHBOKTNXGCL-ZSOIEALJSA-N 349.192 4.939 10 50 EJCA Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1[C@H](C)c1ccccc1O 67740557 ZCBIXGXOIBXLBA-OAHLLOKOSA-N 344.418 4.564 10 50 EJCA CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 2883333 WBBTXVLXSCOTRE-UWVAXJGDSA-N 336.391 4.820 10 50 EJCA O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCCCCC3)c2o1 123372 UHPPTGUPKCCNTR-UHFFFAOYSA-N 349.430 4.542 10 50 EJCA Cc1ccc([C@@H](CCNCc2ccc(N(C)C)cc2)c2ccco2)cc1 2293223 VCVKUFZUEYXCIV-JOCHJYFZSA-N 348.490 4.966 10 50 EJCA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccc(Cl)cc1 12428933 DXGPCESTTPLPSK-ZROIWOOFSA-N 349.839 4.885 10 50 EJCA Fc1cc(Br)cc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 617049 AWUIRYGRUKHSCI-WOSRLPQWSA-N 345.215 4.810 10 50 EJCA Fc1cc(Br)cc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 12958366 AWUIRYGRUKHSCI-DVOMOZLQSA-N 345.215 4.810 10 50 EJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@@H]21 245232600 YOIYDNCFRCFMAZ-JNNRSPCRSA-N 340.423 4.804 10 50 EJCA O=C(O)CCc1ccc(-c2ccccc2)n1-c1cc(Cl)ccc1O 470635 XWVFJQSUIVTFRV-UHFFFAOYSA-N 341.794 4.521 10 50 EJCA Cc1cccc(C)c1N1C(=O)/C(=C/c2ccccc2)SC1=S 1136189 QKXNWIWWPZHBTF-PTNGSMBKSA-N 325.458 4.709 10 50 EJCA CC1CCN(C2=NC(=O)/C(=C/c3cccc4ccccc34)S2)CC1 63959 FFJRJYATOYRIKE-AQTBWJFISA-N 336.460 4.542 10 50 EJCA CCc1ccc(N2N=C(C)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 22108920 RNSIXVZLOIFNEL-UNOMPAQXSA-N 329.403 4.536 10 50 EJCA Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccncc1)N2 111442446 KJEPIEODQZVTJC-JKIFEVAISA-N 327.225 4.671 10 50 EJCA CN(C)c1ccc(/C=C/C(O)(c2ccccc2)c2ccccc2)cc1 2173453 ZEMDYXJLPSEKFS-ISLYRVAYSA-N 329.443 4.702 10 50 EJCA CCCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S 5503576 JUKBRKSSCVNGKU-NTCAYCPXSA-N 333.522 4.985 10 50 EJCA COc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)c2ccccc12 257347676 POEVDVUGSKDMRB-UHFFFAOYSA-N 342.376 4.511 10 50 EJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 13615436 KGHDYQBQZDWOQU-JTDSTZFVSA-N 336.391 4.820 10 50 EJCA C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)Nc3ccccc3)cc2)C1 107041769 GJNJGGJALHPLCG-IRXDYDNUSA-N 337.467 4.806 10 50 EJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 13615438 KGHDYQBQZDWOQU-GPMSIDNRSA-N 336.391 4.820 10 50 EJCA Cc1ccccc1N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 33324156 UYZLENPCNZVWQZ-QHMSGILQSA-N 337.469 4.957 10 50 EJCA CCCCCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 5502028 RKGPSNLBCTZAQM-DTQAZKPQSA-N 348.537 4.534 10 50 EJCA Cc1c(OC(=O)c2ccco2)ccc2c(-c3ccccc3)cc(=O)oc12 90979 VYLUCZKLUIZYEL-UHFFFAOYSA-N 346.338 4.581 10 50 EJCA biogenic CCc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 1147375 PTZXEAQTNXYSSN-SFQUDFHCSA-N 339.485 4.650 10 50 EJCA CCOc1ccccc1-c1nc(-c2ccc(-n3cccc3)cc2)no1 4708851 PICXHXBFVXCNHQ-UHFFFAOYSA-N 331.375 4.593 10 50 EJCA CCCOc1ccccc1/C=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C 4819065 ZBHFHZAOHHHIST-ZHZULCJRSA-N 348.446 4.898 10 50 EJCA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccccc1Cl 1089932 AHDFTLRTIDWKIT-ZROIWOOFSA-N 349.839 4.885 10 50 EJCA Cc1ccc([C@@H](NC(=O)C(C)C)c2c(O)ccc3ccccc23)cc1 446389 ATNBYMSGDQQTHO-OAQYLSRUSA-N 333.431 4.715 10 50 EJCA Cc1ccc(NC2=NC(=O)/C(=C/c3cccs3)S2)cc1Cl 446783 DJCSEJZLACMXCG-JYRVWZFOSA-N 334.853 4.792 10 50 EJCA Cc1cc(C=O)c(C)n1-c1ccc(Br)c2ccccc12 37796 WEKMBYCRDQJYTF-UHFFFAOYSA-N 328.209 4.822 10 50 EJCA CC1CCN(Cc2c(O)ccc3occ(C(=O)c4ccccc4)c23)CC1 217576 TXPXMHLEOZROKN-UHFFFAOYSA-N 349.430 4.601 10 50 EJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2 5061251 JUYCHQWVDSKDAZ-STXHMFSFSA-N 337.394 4.829 10 50 EJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 12380180 XGFMWJAYWCXIGY-MBOZVWFJSA-N 334.375 4.624 10 50 EJCA Nc1ccc(N=Nc2cccc(N=Nc3ccc(N)cc3N)c2)c(N)c1 254704504 BDFZFGDTHFGWRQ-UHFFFAOYSA-N 346.398 4.846 10 50 EJCA CC(C)c1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 1212871 MKZFZVGDEOLFEW-MHWRWJLKSA-N 343.473 4.804 10 50 EJCA CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccccc1Cl 13590833 ZGQBCSDSZXAGFQ-KAMYIIQDSA-N 327.840 4.859 10 50 EJCA CC[C@H](C)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 1164455 JEOXKKQAFSEVAI-VQLBTBKJSA-N 346.304 4.993 10 50 EJCA Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(F)cc3)S2)cc1Cl 446725 OPPXSFANQDYQJE-NVNXTCNLSA-N 346.814 4.870 10 50 EJCA Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1ccc(Br)cc1 2049942 VVIKNKIEZZBOOW-UHFFFAOYSA-N 346.146 4.602 10 50 EJCA in-vitro CCCCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 2706887 JUKBRKSSCVNGKU-QINSGFPZSA-N 333.522 4.985 10 50 EJCA CCN(CC)c1ccc(/N=N/c2ccc(Br)cn2)c(O)c1 3861309 HNVCXDAVEHOIBP-VHEBQXMUSA-N 349.232 4.811 10 50 EJCA O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1ccccc1Cl 101363 GSHKMNYGVFCSAT-NTEUORMPSA-N 332.787 4.562 10 50 EJCA CC(=O)N[C@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccc(O)cc12 309747 CNHFRLJKABBPLG-JOCHJYFZSA-N 349.430 4.600 10 50 EJCA CCN(C)c1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 95619 MSLQUOAOXNQDSD-KGENOOAVSA-N 347.462 4.566 10 50 EJCA C/C(=C1/SC(=S)N(Cc2ccccc2)C1=O)c1ccc(F)cc1 1165011 UHMNFGMCGXCIQX-VBKFSLOCSA-N 343.448 4.617 10 50 EJCA CC(=C\c1ccccc1)/C=C1/SC(Nc2ccc(F)cc2)=NC1=O 5093183 DIJXSWMUSVTELN-QKIOLIMFSA-N 338.407 4.854 10 50 EJCA O=C1/C(=C/c2cccs2)SC(=S)N1CCCc1ccccc1 1132021 LMYOTRJLOWFCAP-QINSGFPZSA-N 345.514 4.582 10 50 EJCA Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 4508642 FGGIFONGPNVEIQ-XNTDXEJSSA-N 329.421 4.540 10 50 EJCA COc1ccc(N(Cc2ccccc2)Cc2ccnn2C2CCC2)cc1 1180296972 NUUNFFUXZWXUBW-UHFFFAOYSA-N 347.462 4.824 10 50 EJCA O=C1c2ccccc2-c2nnc(-c3ccc(Cl)cc3Cl)cc21 80229 CNPVVBBRAGVVHD-UHFFFAOYSA-N 327.170 4.662 10 50 EJCA CNc1cc(Nc2ccccc2)c2c3c(onc13)-c1ccccc1C2=O 187370 CKTZMWVCQJBIFH-UHFFFAOYSA-N 341.370 4.825 10 50 EJCA Cc1ccccc1N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 4746278 NQOWWZSTHUWLSN-XNTDXEJSSA-N 329.421 4.540 10 50 EJCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3)c(O)c2n1 457913 JXFRSLRXSBGCHN-FQEVSTJZSA-N 341.414 4.845 10 50 EJCA CCc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1 15012096 FXXOFECWHDFMSL-LFIBNONCSA-N 343.448 4.794 10 50 EJCA Cc1ccc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 1190105 LMTUGXPFPQSTMJ-RFRKOGIWSA-N 339.485 4.957 10 50 EJCA CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccccc1 359732 BIRFJARBRREUSH-UHFFFAOYSA-N 349.430 4.982 10 50 EJCA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 4983830 PTFPSHNSPUVOBT-MDZRGWNJSA-N 339.822 4.953 10 50 EJCA CCN(CC)c1ccc(N=Nc2ccc(Br)cn2)c(O)c1 242498688 HNVCXDAVEHOIBP-UHFFFAOYSA-N 349.232 4.811 10 50 EJCA COc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)N=C1C 33281410 LQCDMYXJDPOSHZ-XMHGGMMESA-N 342.398 4.655 10 50 EJCA Cc1cccc(N2C(=O)/C(=C/c3ccccc3C)SC2=S)c1 1159477 UPDVACNJAMTZDX-WJDWOHSUSA-N 325.458 4.709 10 50 EJCA COc1cccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)c1 6728439 QQIBRIWAXMDLCH-UWVAXJGDSA-N 335.403 4.528 10 50 EJCA Cc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)o1 1151131 YRBUCQGNSYBNOS-MDWZMJQESA-N 335.837 4.647 10 50 EJCA O=C1c2ccccc2C(=O)C1C1c2ccccc2Oc2ccccc21 100076956 ZFIMNJFROFDYCI-UHFFFAOYSA-N 326.351 4.620 10 50 EJCA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 4132348 SMPRUDMZVSHSEE-RLFYNMQTSA-N 340.354 4.569 10 50 EJCA Oc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccccc1 4842350 JCZHIEQXDWYEEL-OAQYLSRUSA-N 327.387 4.537 10 50 EJCA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C)cc1)[C@@H]1CC=C[C@@H]21 13402403 CXJRSYDLJFHJRW-GPMSIDNRSA-N 336.391 4.738 10 50 EJCA O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 226933922 VNUSINHARRHBKC-PBFPGSCMSA-N 325.795 4.865 10 50 EJCA Cc1ccc(Nc2ccc3ncnc4c3c2C(=O)c2ccccc2-4)cc1 343059 MSZAFTGRLGRVJT-UHFFFAOYSA-N 337.382 4.893 10 50 EJCA O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 245238290 IVWNHJKZDBXOMY-HSMVNMDESA-N 342.782 4.780 10 50 EJCA CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12 2873316 QXRCDQWIDPPQSL-FQEVSTJZSA-N 339.822 4.814 10 50 EJCA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@@H]21 5740437 CXJRSYDLJFHJRW-JTDSTZFVSA-N 336.391 4.738 10 50 EJCA COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 4481851 LFJQOXLALJZPEQ-BXWFABGCSA-N 339.822 4.953 10 50 EJCA O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1ccccc1 1799649 UHCKGILVZUWENE-ZROIWOOFSA-N 349.839 4.885 10 50 EJCA Fc1cc(Br)cc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 4004315 AWUIRYGRUKHSCI-HEHGZKQESA-N 345.215 4.810 10 50 EJCA O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1Cc1ccccc1 13894506 PRXZXJWMRSPHLR-XNTDXEJSSA-N 345.876 4.741 10 50 EJCA Cc1ccc(N(Cc2ccccc2O)C(=O)c2ccccc2F)cc1 361555 ABWZCROWUAHPLA-UHFFFAOYSA-N 335.378 4.687 10 50 EJCA CCCCn1c(NCc2cc(Cl)ccc2O)nc2ccccc21 1830184 ZWQBXELJPZSMPC-UHFFFAOYSA-N 329.831 4.808 10 50 EJCA O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccccc1 19201847 NHAXYTWIOUIZSC-MHWRWJLKSA-N 336.441 4.574 10 50 EJCA CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccs1 100148308 JBOUVFDJRJYKSS-NTEUORMPSA-N 336.338 4.573 10 50 EJCA O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1C1CCCCC1 1452450 YIJPHEUESDDKAR-NJKRNUQASA-N 329.490 4.777 10 50 EJCA CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4809958 WBBTXVLXSCOTRE-HLIPFELVSA-N 336.391 4.820 10 50 EJCA Cc1ccc(CN2C(=O)/C(=C/[C@H]3CC=CCC3)SC2=S)cc1 1164513 KVXNSYHNCCGHAQ-HNDQUVLASA-N 329.490 4.596 10 50 EJCA Cc1cccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1 2256413 OAASBQQUXFVUNC-ONKXNFODSA-N 337.469 4.957 10 50 EJCA Oc1ccc(-c2ccc(F)cc2)cc1CN1CCc2ccccc2C1 299794591 KGTDCAQOTMOPFU-UHFFFAOYSA-N 333.406 4.757 10 50 EJCA Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(C)C3=O)o2)cc1 1198220 VWKWUKLOIXJUEQ-UKTHLTGXSA-N 347.486 4.570 10 50 EJCA Cc1cccc(NC2=NC(=O)/C(=C\c3ccc(F)cc3)S2)c1C 4567512 ZUMXYSLKWSXLGJ-MHWRWJLKSA-N 326.396 4.525 10 50 EJCA C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccs2)SC1=S 5050457 ZSAIEANMWVDUGX-IWQAVIMZSA-N 331.487 4.711 10 50 EJCA Oc1c(Cl)cc(Cl)cc1CN1CCCC[C@@H]1c1cccnc1 22023323 ZUCUPAKYMMMZRG-MRXNPFEDSA-N 337.250 4.821 10 50 EJCA Cc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)s1 4902933 BNSTZGAZSSTNSP-RGEXLXHISA-N 344.439 4.891 10 50 EJCA Cc1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1C 1192369 KQNCWILYJKQQDP-WJDWOHSUSA-N 325.458 4.709 10 50 EJCA Cc1ccccc1N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1228322 UYZLENPCNZVWQZ-DNZSEPECSA-N 337.469 4.957 10 50 EJCA O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1c1ccccc1 15011548 WCBKYYCRHUGPKH-GXDHUFHOSA-N 331.849 4.746 10 50 EJCA C[C@@H]1C[C@H](NCCc2ccc3[nH]ccc3c2)c2c(O)ccc(Cl)c21 1875341073 FJYQDICDRUUDMG-PXAZEXFGSA-N 340.854 4.908 10 50 EJCA O=C(N[C@H](c1ccco1)c1c(O)ccc2ccccc12)c1ccccc1 22130749 OFZKDWROJWDFHK-OAQYLSRUSA-N 343.382 4.658 10 50 EJCA C[C@H](Nc1ccc(Br)cc1)c1ccc(Cl)cc1O 554538 LTVJFIQTZKTLRS-VIFPVBQESA-N 326.621 4.981 10 50 EJCA CCOc1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1 975429 LHZUGQLZVGSFGB-UVTDQMKNSA-N 347.486 4.553 10 50 EJCA CSc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 1188791 SLNXHTJMTDLVPB-RVDMUPIBSA-N 343.498 4.814 10 50 EJCA CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 859832 IWZLKEAVHHJLMQ-DEDYPNTBSA-N 334.419 4.508 10 50 EJCA CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 2678058 DUZYZGMEQCQYBG-YYTPVVGHSA-N 349.521 4.810 10 50 EJCA COc1cccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@H]3C=CC[C@H]32)c1 4123724 QQIBRIWAXMDLCH-QKLQHJQFSA-N 335.403 4.528 10 50 EJCA CC(C)c1ccc(C2=C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1 3005673 MJCGZLIJPBKCEK-UYRXBGFRSA-N 333.431 4.857 10 50 EJCA Cc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1Cl 613596 JPIFNFZPRZIKCA-UHFFFAOYSA-N 336.873 4.863 10 50 EJCA CC(C)CN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 1181948 XMLZYGLDSOSGTN-SDQBBNPISA-N 346.304 4.851 10 50 EJCA CCCC(=O)N[C@H](c1ccc(OC)cc1)c1c(O)ccc2ccccc12 245294 VGBJXXVKWAWGRC-JOCHJYFZSA-N 349.430 4.560 10 50 EJCA Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)c(C(C)C)c2)cc1 8011 JPWMBZCIEGUOPR-UHFFFAOYSA-N 347.480 4.748 10 50 EJCA CCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2040444759 RBUVZCMLXDRKHK-UHFFFAOYSA-N 341.457 4.700 10 50 EJCA COc1ccc(C)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 16425250 SGLREXUOWRQEEN-TYILLQQXSA-N 336.391 4.738 10 50 EJCA Cc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c(C)c1 1011298 RYAKRQJUAVDKCS-YBEGLDIGSA-N 343.448 4.848 10 50 EJCA Cc1ccccc1N=Nc1ccc(NC(=O)c2ccnn2C)c(C)c1 254429865 LKTNEXPODAWWFM-UHFFFAOYSA-N 333.395 4.705 10 50 EJCA COc1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4320917 JLGXPLMOEUEIGL-JCGVRSQUSA-N 340.354 4.569 10 50 EJCA CN(Cc1cccs1)Cc1cc(-c2ccc(F)cc2)ccc1O 15070930 GKFWYNXQZIGALT-UHFFFAOYSA-N 327.424 4.892 10 50 EJCA Oc1ccc(Br)cc1CNc1ccc(F)c(Cl)c1 732346 SRGIFNJUTUTAEL-UHFFFAOYSA-N 330.584 4.559 10 50 EJCA O=[N+]([O-])c1ccc(NCc2cccc(CNc3ccc(O)cc3)c2)cc1 4530679 KKAAEUDBVYGPJH-UHFFFAOYSA-N 349.390 4.525 10 50 EJCA O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccco1 123754 KUQOSPYLOUQZDY-OAQYLSRUSA-N 343.382 4.658 10 50 EJCA CCCn1c(N[C@@H](C)c2cc(Cl)ccc2O)nc2ccccc21 111465 ONMZSGUEAUWIAY-LBPRGKRZSA-N 329.831 4.978 10 50 EJCA O=C1c2ccccc2C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 18045208 UBEKWBZJHSHKCG-JQBYJRRVSA-N 336.390 4.589 10 50 EJCA biogenic COc1ccc(C)c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 13389531 RIIOHIUWEGYOJT-JTDSTZFVSA-N 335.403 4.528 10 50 EJCA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 13615483 SMPRUDMZVSHSEE-RVKKMQEKSA-N 340.354 4.569 10 50 EJCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC(C)C)cc1 365672 OFIFZLOGKBYMQN-MOSHPQCFSA-N 334.419 4.588 10 50 EJCA CN(C)c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 2279429 CKSAJMWUTDNXJE-UHFFFAOYSA-N 343.474 4.778 10 50 EJCA Oc1ccc2ncccc2c1[C@@H](Nc1ccccn1)c1ccccc1F 4842880 XUTXXCHFSRVQRJ-NRFANRHFSA-N 345.377 4.676 10 50 EJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(Cl)cc1 6556866 BQQFGJPENRUXHE-WQRHYEAKSA-N 339.826 4.675 10 50 EJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2 227093162 SFADYRZNMJTATJ-MBOZVWFJSA-N 337.394 4.829 10 50 EJCA O=C1c2ccccc2C(=O)C1(Nc1ccc(Cl)cc1)c1ccccc1 436562 NFLDCQKFVYOJJZ-UHFFFAOYSA-N 347.801 4.727 10 50 EJCA Cc1ccccc1C1(Cc2ccccc2)C(=O)c2ccccc2C1=O 1203492 ORLVYFFAYFHGLK-UHFFFAOYSA-N 326.395 4.555 10 50 EJCA Cc1ccc(N/N=N/c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 4481694 YUSWTGRUQGZWQL-UHFFFAOYSA-N 341.370 4.881 10 50 EJCA C[C@@H](Nc1ccccc1Br)c1cc(Cl)ccc1O 617617 NFDPAWMMBUPCFV-SECBINFHSA-N 326.621 4.981 10 50 EJCA CC(C)(C)C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 136806 MVNNBWUETIDNRH-HXUWFJFHSA-N 333.431 4.797 10 50 EJCA CCn1c(/N=N/Nc2nc3ccccc3n2CC)nc2ccccc21 3876436 YRZSKZREWNWFSG-UHFFFAOYSA-N 333.399 4.537 10 50 EJCA COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2 617042 WGBCTMBCHGBEBX-LAPQFRIASA-N 337.394 4.747 10 50 EJCA CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cccc(C(F)(F)F)c1 102148314 FKWMBTLYMSRLML-UCMDFWOYSA-N 346.312 4.580 10 50 EJCA CN(C)c1ccc(/C=C/CN2CC=C(c3ccc(F)cc3)CC2)cc1 213367 IDTPQVAYSUERLR-ONEGZZNKSA-N 336.454 4.694 10 50 EJCA CN(C)c1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1 2162203 UEZZEEWXWNIILR-UHFFFAOYSA-N 325.411 4.886 10 50 EJCA CN1CCC(N(C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 4987645 KAVALVFTXCPDBG-UHFFFAOYSA-N 346.559 4.513 10 50 EJCA Cc1ccc(CN2C(=O)/C(=C/c3ccc(C)s3)SC2=S)cc1 1130147 CBWREDLJNVGFQW-DHDCSXOGSA-N 345.514 4.766 10 50 EJCA Cc1cccc(N2C(=O)/C(=C\c3sccc3C)SC2=S)c1 4819707 QHXSLJQGBIKPJG-NTEUORMPSA-N 331.487 4.771 10 50 EJCA C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2F)SC1=S 5050491 WJJCSXBETIQVAP-PILJQMSFSA-N 343.448 4.788 10 50 EJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2 43769571 JUYCHQWVDSKDAZ-SIFCLUCFSA-N 337.394 4.829 10 50 EJCA Cc1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1C 1011344 NLBRGQLHUWXHBL-ZROIWOOFSA-N 331.487 4.771 10 50 EJCA O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 4045823 DEPBWVRTJQCADN-GRDNDAEWSA-N 325.795 4.865 10 50 EJCA COc1ccc(-c2csc(Nc3cc(OC)ccc3OC)n2)cc1 73670 WZSVLUHQVYRBHJ-UHFFFAOYSA-N 342.420 4.580 10 50 EJCA CC[n+]1c(/C=C/N(C)c2ccccc2)sc2ccc(Cl)cc21 294976 HKYKXCKMZXXLBR-UHFFFAOYSA-N 329.876 4.969 10 50 EJCA C[C@H](Nc1ccccc1Br)c1cc(Cl)ccc1O 617615 NFDPAWMMBUPCFV-VIFPVBQESA-N 326.621 4.981 10 50 EJCA CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/C=C/c1ccco1 101724493 UDKWLTZDRZXAMI-NKJMRRHMSA-N 347.201 4.949 10 50 EJCA C[C@@H](NCc1cccc(-n2cccn2)c1O)c1csc2ccccc12 2325878694 YODQNWFBCLXNAF-CQSZACIVSA-N 349.459 4.643 10 50 EJCA COc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccc([N+](=O)[O-])cc1 288860 ZLLBUJZAVNCHIE-UHFFFAOYSA-N 338.407 4.806 10 50 EJCA CCCCCCOC(=O)c1ccc2c3c(onc13)-c1ccccc1C2=O 3898660 DVGJNFNBMMDLLD-UHFFFAOYSA-N 349.386 4.776 10 50 EJCA CCC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12 446473 QXRCDQWIDPPQSL-HXUWFJFHSA-N 339.822 4.814 10 50 EJCA Oc1ccc(Cl)cc1CNc1nc2c(s1)CCc1ccccc1-2 200975 KPZFSJHBZXGBAJ-UHFFFAOYSA-N 342.851 4.880 10 50 EJCA Cc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 86496 MDKMHIKWIGNKOJ-HXUWFJFHSA-N 341.414 4.845 10 50 EJCA COc1ccc(C)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21 361411 SGLREXUOWRQEEN-LPMFXHHGSA-N 336.391 4.738 10 50 EJCA CCN(CC)c1ccc([C@H]2NN=C(c3ccc(C)cc3)S2)cc1 2987405 PQHUTGFVVLBFRK-IBGZPJMESA-N 325.481 4.538 10 50 EJCA COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c(C)c1 84087 QUCYZWUJIBHXIH-XNTDXEJSSA-N 326.779 4.638 10 50 EJCA Cc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)o1 1002946 PWLDNFADTOZHEO-DHDCSXOGSA-N 329.446 4.611 10 50 EJCA CCCCCCN1C(=O)/C(=C\c2sccc2C)SC1=S 4926963 KGFFWLRNTRGTME-JLHYYAGUSA-N 325.524 4.838 10 50 EJCA CCC(=O)N[C@@H](c1ccccc1Cl)c1c(O)ccc2ccccc12 446265 ITFYIJMUOSWPKA-FQEVSTJZSA-N 339.822 4.814 10 50 EJCA O=[N+]([O-])c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 4578536 LJVWTGJLCXLVOI-UHFFFAOYSA-N 325.327 4.998 10 50 EJCA CC(C)CN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S 5497850 JSSKJUREWFARJK-XNTDXEJSSA-N 333.522 4.841 10 50 EJCA Nc1c(C(=O)O)sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c12 193187 HGXZBFMGOXOOFP-UHFFFAOYSA-N 344.823 4.775 10 50 EJCA C/C(=C1/SC(=S)N(c2ccc(F)cc2)C1=O)c1ccc(C)cc1 1164295 PQXRWCHKUCKUTM-VBKFSLOCSA-N 343.448 4.930 10 50 EJCA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 4132354 SMPRUDMZVSHSEE-HDMKZQKVSA-N 340.354 4.569 10 50 EJCA COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 4481848 LFJQOXLALJZPEQ-FCEWJHQRSA-N 339.822 4.953 10 50 EJCA O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1ccccc1 966848 HHPFUZNJUOKTLM-UVTDQMKNSA-N 331.849 4.746 10 50 EJCA Cc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 1190104 LMTUGXPFPQSTMJ-VMOJBDSFSA-N 339.485 4.957 10 50 EJCA C[n+]1c(/C=C\c2cc3c4c(c2)CCCN4CCC3)sc2ccccc21 169403783 BCQPUBDKPNZZCW-UHFFFAOYSA-N 347.507 4.595 10 50 EJCA O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1Cc1ccccc1 15011468 HRHUYCIMYDPVOU-LYXWDPSCSA-N 337.469 4.644 10 50 EJCA CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 4821854 VNESVWBAZCIDKF-NTEUORMPSA-N 349.864 4.821 10 50 EJCA C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)Nc3ccccc3)cc2)C1 72117352 GJNJGGJALHPLCG-DLBZAZTESA-N 337.467 4.806 10 50 EJCA Cc1ccc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 1190103 LMTUGXPFPQSTMJ-IQGJIOQQSA-N 339.485 4.957 10 50 EJCA CC[n+]1c(/C=C/C=C/N(C(C)=O)c2ccccc2)sc2ccccc21 1953292 HGMUBLQOIQNRPO-UHFFFAOYSA-N 349.479 4.789 10 50 EJCA CCCCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 5502656 OMROSLAOFCTNKS-JLHYYAGUSA-N 325.886 4.731 10 50 EJCA CC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccc(O)cc12 309746 CNHFRLJKABBPLG-QFIPXVFZSA-N 349.430 4.600 10 50 EJCA CC(C)CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 1103209 JSSKJUREWFARJK-GDNBJRDFSA-N 333.522 4.841 10 50 EJCA CCCCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 5503616 PWQHRCDMVJKYRQ-FOWTUZBSSA-N 327.474 4.841 10 50 EJCA Cc1ccc(CN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 1164204 PSBDTLXWOHVKAE-YBEGLDIGSA-N 343.448 4.536 10 50 EJCA CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 230009145 BVMYCMVGLYEYLR-LVCYWYKZSA-N 333.431 4.862 10 50 EJCA C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)Nc3ccccc3)cc2)C1 72117351 GJNJGGJALHPLCG-IAGOWNOFSA-N 337.467 4.806 10 50 EJCA COc1ccc(N2CCN(CCC3=C(C)CCCC3(C)C)CC2)cc1 212210 JRUSBIRBMWIHNQ-UHFFFAOYSA-N 342.527 4.734 10 50 EJCA Cc1ccc([C@@H](NC(=O)CC(C)C)c2ccc3cccnc3c2O)cc1 92397 AFVWPXYESDXYSF-HXUWFJFHSA-N 348.446 4.501 10 50 EJCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccsc3)c(O)c2n1 2502836 PTPKJKSDOYLMPY-GOSISDBHSA-N 347.443 4.907 10 50 EJCA Cc1cc(S(=O)(=O)O)ccc1/N=N/c1c(O)ccc2ccccc12 4528652 FEACTMUAXQJDBH-VHEBQXMUSA-N 342.376 4.516 10 50 EJCA CC(C)CN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 5497838 WCAGDHMBDJUAQB-WUXMJOGZSA-N 346.304 4.851 10 50 EJCA Cc1ccncc1C1=CCN(c2ccnc3ccc(Cl)cc23)CC1 2325740512 GTCLQQGVQHKZJU-UHFFFAOYSA-N 335.838 4.885 10 50 EJCA O=C1c2ccccc2-c2c1c(CN1CCCCC1)c(O)c1ccccc21 12151 CHAKERCCFYVUAD-UHFFFAOYSA-N 343.426 4.743 10 50 EJCA Cc1ccc(Oc2cc(O)c3c4c(onc24)-c2ccccc2C3=O)cc1 280856 JOVYPYIPNCZZFU-UHFFFAOYSA-N 343.338 4.846 10 50 EJCA CCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1162621 QHNMTZXIKXZKBB-WDZFZDKYSA-N 332.277 4.605 10 50 EJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 4309783 LBEMODQQJGACLE-STXHMFSFSA-N 334.375 4.624 10 50 EJCA CN(C)c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 3617536 IYHIQEWHNKMCPO-UHFFFAOYSA-N 332.403 4.797 10 50 EJCA CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cccc(O)c2)SC1=S 2678125 INGAQCMJEHLLOQ-YYTPVVGHSA-N 349.521 4.810 10 50 EJCA Fc1ccc(/C=C/c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 4686313 BQBSTBYAQUWUNX-LFYBBSHMSA-N 331.350 4.837 10 50 EJCA CN(C)c1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1 615638 GTRKRPRKBSGENS-UHFFFAOYSA-N 327.431 4.818 10 50 EJCA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 4983826 PTFPSHNSPUVOBT-GJYPPUQNSA-N 339.822 4.953 10 50 EJCA c1ccc(CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 85190 QKTJLQPSNJEMRD-UHFFFAOYSA-N 335.388 4.684 10 50 EJCA aggregator O=C(Nc1cccc(N2Cc3ccccc3C2)c1)c1ccccc1F 614083 AGTRZSUMOVNQQB-UHFFFAOYSA-N 332.378 4.598 10 50 EJCA O=C1c2ccccc2-c2ncnc3ccc(NC4CCCCC4)c1c23 3001632 RCXJVCRPCMXBID-UHFFFAOYSA-N 329.403 4.586 10 50 EJCA COc1ccc(C)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 16425253 SGLREXUOWRQEEN-NJSLBKSFSA-N 336.391 4.738 10 50 EJCA Nc1ccc(Oc2ccc(-c3cc(F)cc4cccnc34)cc2)nc1 1506423216 UIXUINDMMNADHA-UHFFFAOYSA-N 331.350 4.810 10 50 EJCA O=C(O)CCc1ccc(-c2ccc(F)cc2)n1CCc1ccccc1 469923 KVBDFBSVOUAVEH-UHFFFAOYSA-N 337.394 4.554 10 50 EJCA CCc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 1423483 GYCVVPHOVBWQKD-UHFFFAOYSA-N 345.402 4.669 10 50 EJCA CCCn1c(NCc2c(O)ccc3ccccc23)nc2ccccc21 111433 CYKZOPPXWPWGLE-UHFFFAOYSA-N 331.419 4.917 10 50 EJCA Nc1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1 246724 UFDARRZTRWZSHA-UHFFFAOYSA-N 346.253 4.898 10 50 EJCA O=C1N=C(Nc2ccccc2O)S/C1=C\c1cccc2ccccc12 5777378 AZSUAEYQHICQMW-PDGQHHTCSA-N 346.411 4.628 10 50 EJCA O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@@H]([C@@H]1CC=CCC1)N2 217461464 WCMULIPDJGIOHP-LSSIXWDNSA-N 346.814 4.764 10 50 EJCA O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@@H]([C@H]1CC=CCC1)N2 15218452 WCMULIPDJGIOHP-MEQWQQMJSA-N 346.814 4.764 10 50 EJCA CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 4926959 VEOHNQGJYMXYEA-JLHYYAGUSA-N 325.886 4.731 10 50 EJCA Cc1sc2c(c1C(=O)O)Nc1cc(Br)ccc1S2 2462123 FEBXQLFXAUOMHO-UHFFFAOYSA-N 342.239 4.725 10 50 EJCA O=C(Nc1cccc(N2CCCC2)c1)c1ccc(Cl)c(Cl)c1 381883 XYPJTPPGBNLKNB-UHFFFAOYSA-N 335.234 4.846 10 50 EJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4045749 XGFMWJAYWCXIGY-UWVAXJGDSA-N 334.375 4.624 10 50 EJCA Cc1ccc([C@@H](Nc2ccccn2)c2c(O)ccc3ncccc23)cc1 4843245 DQVBVAOJAOOSFS-JOCHJYFZSA-N 341.414 4.845 10 50 EJCA CC(C)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 2308362 XXMWTWPHTRVEQD-WZUFQYTHSA-N 332.277 4.603 10 50 EJCA CCn1c(NCc2cc(Cl)cc(Cl)c2O)nc2ccccc21 454656 VGNDLPHXJKLKMF-UHFFFAOYSA-N 336.222 4.681 10 50 EJCA CC(C)CN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S 5497842 XMLZYGLDSOSGTN-WUXMJOGZSA-N 346.304 4.851 10 50 EJCA Cc1c(Cl)cccc1NC1=NC(=O)/C(=C/c2ccccc2)S1 446763 GYVKMRAJUCWEIX-GDNBJRDFSA-N 328.824 4.731 10 50 EJCA Cc1cccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c1C 1788073 PKBTXCMFEWVWCM-YBEGLDIGSA-N 343.448 4.848 10 50 EJCA COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 11859506 OQMZDIRZHMKGTG-IIDMSEBBSA-N 339.822 4.953 10 50 EJCA O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccccc1F 16193367 KSOXCFSLIBHJGM-FLIHGVEMSA-N 341.432 4.788 10 50 EJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 12380178 NIEIBSOENFBQGF-MBOZVWFJSA-N 334.375 4.624 10 50 EJCA CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cccc2ccccc12 100498446 OQWPWNSZSGVLIW-XMHGGMMESA-N 327.387 4.558 10 50 EJCA O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1c1ccc(F)cc1 2506093 JKVIFRVBRUDTHQ-NTEUORMPSA-N 349.839 4.885 10 50 EJCA Oc1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccccc1F 4842881 XUTXXCHFSRVQRJ-OAQYLSRUSA-N 345.377 4.676 10 50 EJCA C[C@H]1C[C@@H](NCCc2ccc3[nH]ccc3c2)c2c(O)ccc(Cl)c21 1875341076 FJYQDICDRUUDMG-YVEFUNNKSA-N 340.854 4.908 10 50 EJCA Cc1cc2c(n1-c1ccc(Br)cc1)CC(C)(C)CC2=O 608984 GAKAJIOIKUKCOR-UHFFFAOYSA-N 332.241 4.703 10 50 EJCA Cc1nc2ccc(NC(=O)c3cc(C)n(-c4ccccc4)c3C)cc2o1 1875257893 FWYUOARRUHUIAV-UHFFFAOYSA-N 345.402 4.796 10 50 EJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4045752 XGFMWJAYWCXIGY-HLIPFELVSA-N 334.375 4.624 10 50 EJCA COc1cccc(O)c1CN(Cc1cccnc1)C1CCCCCC1 55109429 FEMQHRDBWVBOSH-UHFFFAOYSA-N 340.467 4.521 10 50 EJCA CC(C)[C@@H]1CC(=O)Oc2c1c1nc3ccccc3nc1c1ccccc21 217800861 GHNPXEGNEKDEMN-HNNXBMFYSA-N 342.398 4.985 10 50 EJCA biogenic CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1 13477264 ZMPJITYPFJMWST-SXGWCWSVSA-N 331.202 4.800 10 50 EJCA CCc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 13547617 KYENJEWMABUSLY-ATVHPVEESA-N 339.485 4.963 10 50 EJCA CCCOc1ccccc1/C=C1\SC(=S)N(C2CCCC2)C1=O 16213082 OWHWTNOGSCKNKI-VBKFSLOCSA-N 347.505 4.619 10 50 EJCA Cc1ccc(N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1 19897989 KYFFIMLKXVFFQT-BDKUJZOCSA-N 337.469 4.957 10 50 EJCA CC[C@H](C)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 1164913 AKHZAUABDIXJHS-VQLBTBKJSA-N 346.304 4.993 10 50 EJCA CCc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 13547615 FMZYQXPXAITQQG-ATVHPVEESA-N 339.485 4.963 10 50 EJCA COc1ccccc1/C=C1/C=C(c2ccc3ccccc3c2)OC1=O 22033488 STIMLJGYXZXCKM-UYRXBGFRSA-N 328.367 4.830 10 50 EJCA CCc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 1136095 YSLPLGPNBFLLRB-WJDWOHSUSA-N 343.448 4.794 10 50 EJCA Cc1ccc(CN2C(=O)/C(=C/[C@@H]3CC=CCC3)SC2=S)cc1 1164511 KVXNSYHNCCGHAQ-VQCBNXJZSA-N 329.490 4.596 10 50 EJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21 169617160 YOIYDNCFRCFMAZ-NVQRDWNXSA-N 340.423 4.804 10 50 EJCA CC(C)c1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 13712700 MKZFZVGDEOLFEW-YBEGLDIGSA-N 343.473 4.804 10 50 EJCA C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 5051154 LKNREEINIRIZAN-JASJWYONSA-N 343.448 4.788 10 50 EJCA CC1CCN(c2ccc([C@H](C)NC(=O)Nc3ccccc3)cc2)CC1 72116077 GOQWKTSADONAOR-KRWDZBQOSA-N 337.467 4.806 10 50 EJCA CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1 12411789 WWNIPGDEZQWGPA-QNGOZBTKSA-N 347.462 4.647 10 50 EJCA Cc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 13898742 GEDMLAVIGIUALB-GDNBJRDFSA-N 329.421 4.540 10 50 EJCA CCCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 1139126 ATOAZJRAIGNCQX-XFFZJAGNSA-N 332.277 4.605 10 50 EJCA CCN(CC)c1ccc(/C=C/c2ccn(C)c3cc(=O)ccc2-3)cc1 1011231 LQULVNKLRBLBIM-RMKNXTFCSA-N 332.447 4.507 10 50 EJCA CCc1cccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 340973 MALKTBVPQWNWFQ-UHFFFAOYSA-N 341.410 4.636 10 50 EJCA CC1=NN(c2cccc(Cl)c2C)C(=O)/C1=C/c1c[nH]c2ccccc12 457177 KBUCGEKRTXWVNG-MHWRWJLKSA-N 349.821 4.936 10 50 EJCA COc1ccc(C)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 16425256 SGLREXUOWRQEEN-KSMMKXTCSA-N 336.391 4.738 10 50 EJCA COc1cccc(Nc2ccc3noc4c3c2C(=O)c2ccccc2-4)c1 1321734 JYCVIMUIGZOVAH-UHFFFAOYSA-N 342.354 4.791 10 50 EJCA biogenic COc1cccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@H]32)c1OC 4183303 PFQLKUOLASFGDB-WHSLLNHNSA-N 349.430 4.733 10 50 EJCA CCN(CC)Cc1cc(-c2ccccc2)c(Br)cc1O 96026595 CYFSBYBFWQDZIT-UHFFFAOYSA-N 334.257 4.664 10 50 EJCA Cc1nn(-c2ccccc2)c(O)c1/N=N/c1cccc2ncccc12 6269027 DGSKDFSSIUFQHU-QURGRASLSA-N 329.363 4.850 10 50 EJCA CN(C)c1ccc(CNCC[C@H](Cc2ccccc2)c2ccco2)cc1 2295224 OYQJNUZLJJABAF-OAQYLSRUSA-N 348.490 4.852 10 50 EJCA Cc1ccccc1-n1c(C)cc(-c2csc(-c3cnccn3)n2)c1C 170641293 WQHQCJNBTGIKGR-UHFFFAOYSA-N 346.459 4.983 10 50 EJCA O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccco1 123752 KUQOSPYLOUQZDY-NRFANRHFSA-N 343.382 4.658 10 50 EJCA CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 111441061 WBBTXVLXSCOTRE-FUHIMQAGSA-N 336.391 4.820 10 50 EJCA CC(C)CN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 1103207 QNARDTDAMDFQAK-YBEGLDIGSA-N 327.474 4.697 10 50 EJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1c(C)cccc1C 1857524934 QZXHFBUQPPOGQA-UHFFFAOYSA-N 333.435 4.639 10 50 EJCA CCC(=O)N[C@H](c1ccccc1Cl)c1c(O)ccc2ccccc12 446266 ITFYIJMUOSWPKA-HXUWFJFHSA-N 339.822 4.814 10 50 EJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 12380188 LBEMODQQJGACLE-SXGZJXTBSA-N 334.375 4.624 10 50 EJCA CNc1ccc(Nc2ccc(C)cc2)c2c1C(=O)c1ccccc1C2=O 3880315 ITYXXSSJBOAGAR-UHFFFAOYSA-N 342.398 4.556 10 50 EJCA Oc1c([C@H](Nc2ccccn2)c2cccs2)ccc2cccnc12 19851363 ICJKSTJCIAGPIS-SFHVURJKSA-N 333.416 4.598 10 50 EJCA CCCC[Sn](CCCC)(CCCC)N=[N+]=N 196000992 YBEKTUVUAQINCU-UHFFFAOYSA-N 333.088 4.883 10 50 EJCA COC(=O)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 1174834 LFJQOXLALJZPEQ-GJYPPUQNSA-N 339.822 4.953 10 50 EJCA CCN(CC)c1ccc(C=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1 1857524941 WWNIPGDEZQWGPA-UHFFFAOYSA-N 347.462 4.647 10 50 EJCA CC1(C)Cc2c(ccc3ccccc23)/C(=C/C(=O)N2CCCCCC2)N1 210006 HCBNGSSSHFKXCY-QNGOZBTKSA-N 348.490 4.508 10 50 EJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 4309781 LBEMODQQJGACLE-QEEYODRMSA-N 334.375 4.624 10 50 EJCA COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1C 84093 ZVOZFLOVBZOBNR-XNTDXEJSSA-N 326.779 4.638 10 50 EJCA Cc1ccc(C2=C/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)O2)cc1 4949415 KHPIJZWIGYRUIH-RIYZIHGNSA-N 341.750 4.538 10 50 EJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 216013906 JGVZQZYRGOFCJB-RKVPGOIHSA-N 325.795 4.865 10 50 EJCA Cc1ccc(N2C(=O)/C(=C\c3sccc3C)SC2=S)cc1 5682920 GBZXYPOPTSANFZ-NTEUORMPSA-N 331.487 4.771 10 50 EJCA COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 4371922 OQMZDIRZHMKGTG-HDMKZQKVSA-N 339.822 4.953 10 50 EJCA CCN(CC)c1ccc([C@H]2Nc3ccccc3-c3cc(C)nn32)cc1 1430288 AUQVCALVNFDFDL-NRFANRHFSA-N 332.451 4.677 10 50 EJCA O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 4045826 DEPBWVRTJQCADN-JJRVBVJISA-N 325.795 4.865 10 50 EJCA CCc1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1 1136572 YIGGKKJFSUMBOR-UVTDQMKNSA-N 331.487 4.716 10 50 EJCA Oc1ccccc1CN1Cc2ccccc2O[C@H](c2ccccc2F)C1 15002599 NTRCOGXYOUGNBK-QFIPXVFZSA-N 349.405 4.667 10 50 EJCA O=C(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 28713891 WHTKSZOXPDAVMH-UHFFFAOYSA-N 346.226 4.790 10 50 EJCA CCCCOc1ccc(/C=C2\SC(=S)N(CCCC)C2=O)cc1 2678034 JZRQLXOLPLCIRJ-SSZFMOIBSA-N 349.521 4.867 10 50 EJCA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCC1CCCCC1 15011194 NNSUIHITOCOXNG-VBKFSLOCSA-N 349.496 4.997 10 50 EJCA CCN(CC)Cc1ccc2c(NC(=O)OC(C)(C)C)cccc2c1O 261507369 HUJVIXVNRMGGAJ-UHFFFAOYSA-N 344.455 4.734 10 50 EJCA Cc1ccsc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 13715258 LSVOLEMLOWUGNC-PTNGSMBKSA-N 345.514 4.500 10 50 EJCA Cc1ccccc1[C@@H](Nc1ccccn1)c1ccc2cccnc2c1O 2502839 SPRYGMKSLFQEGD-OAQYLSRUSA-N 341.414 4.845 10 50 EJCA CC(C)CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 379084 UOLRIUAWKGHNQT-QFIPXVFZSA-N 333.431 4.797 10 50 EJCA Cc1cc2c(n1-c1cc(Cl)c(O)c(Cl)c1)CC(C)(C)CC2=O 2512808 ALZFSHITWHCRDU-UHFFFAOYSA-N 338.234 4.953 10 50 EJCA CCOc1ccc(N/C=C/C=C/c2ccc3ccccc3[n+]2C)cc1 3129752 BIDSKIQXFJAHMF-UHFFFAOYSA-O 331.439 4.702 10 50 EJCA CC(=C\c1ccco1)/C=C1/SC(=S)N(c2ccccc2)C1=O 4819481 DIVLZNQDVHPWKW-NZWDAJRTSA-N 327.430 4.632 10 50 EJCA O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccc(Cl)cc1 1086539 HQVQKKXNCMMATE-GXDHUFHOSA-N 331.849 4.746 10 50 EJCA O=C1c2ccccc2-c2nnc(-c3ccc(Cl)c(Cl)c3)cc21 1382389 AUBQGSHOHZWWBW-UHFFFAOYSA-N 327.170 4.662 10 50 EJCA CC(=C\c1ccco1)/C=C1/SC(=S)N(C2CCCCC2)C1=O 12342837 MYDNKDUDATUNLH-NZWDAJRTSA-N 333.478 4.760 10 50 EJCA COc1cc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)ccc1O 22034079 UVZSDXXXKASGNY-ZDLGFXPLSA-N 344.366 4.535 10 50 EJCA CC(C)n1c(CCC(=O)O)ccc1-c1ccc(Br)cc1 470074 SRVPIJUGKZVAHD-UHFFFAOYSA-N 336.229 4.516 10 50 EJCA Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC[C@@H](C3CCC3)C2)c1 1451447941 CVLSBVFDKIJWIJ-LJQANCHMSA-N 336.479 4.665 10 50 EJCA Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2 4140592 KJEPIEODQZVTJC-KEYYUXOJSA-N 327.225 4.671 10 50 EJCA Fc1ccccc1/C=C/c1nc(-c2ccc(-n3cccc3)cc2)no1 4623255 JIIUIAOHVFDUSY-FMIVXFBMSA-N 331.350 4.837 10 50 EJCA CCCCc1ccc(C(=O)CCC2C(=O)c3ccccc3C2=O)cc1 100810187 BZNMFPBHYFUEHP-UHFFFAOYSA-N 334.415 4.688 10 50 EJCA Oc1ccc(-c2ccccn2)cc1CN1CCC(c2ccccc2)CC1 12246801 SMIBHAIRRPEWBE-UHFFFAOYSA-N 344.458 4.834 10 50 EJCA O=C(c1ccccc1)c1cc(Cl)ccc1NCc1ccccc1O 25692607 WXYJSUCGGAFENI-UHFFFAOYSA-N 337.806 4.889 10 50 EJCA CCc1cccc(C)c1N1C(=O)/C(=C/c2ccc(C)o2)SC1=S 1136652 QYGIAJMQFSEWNH-GDNBJRDFSA-N 343.473 4.865 10 50 EJCA COc1ccc(C2=C/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1 5073002 SAICFDHZNQXNPG-MDWZMJQESA-N 347.197 4.983 10 50 EJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 4852951 KGHDYQBQZDWOQU-FRQCXROJSA-N 336.391 4.820 10 50 EJCA Oc1c([C@H](Nc2ccccn2)c2ccc(F)cc2)ccc2cccnc12 86385 ZFIFSEVGGSGLQA-LJQANCHMSA-N 345.377 4.676 10 50 EJCA Cc1cc(C)n(Cc2ccccc2)c1/C=C1\C(=O)Nc2ccccc21 221683445 DYXKJCQHMMNJAV-UYRXBGFRSA-N 328.415 4.646 10 50 EJCA Brc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccncc1)N2 4140594 KJEPIEODQZVTJC-CPUCHLNUSA-N 327.225 4.671 10 50 EJCA C[C@H](Nc1cccc(Br)c1)c1cc(Cl)ccc1O 617470 UUJROZNSAIIXMR-VIFPVBQESA-N 326.621 4.981 10 50 EJCA O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccccc1Cl 1227141 BSCQWUDDUDYKSL-UVTDQMKNSA-N 331.849 4.746 10 50 EJCA O=C1c2ccccc2C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 1083671 UBEKWBZJHSHKCG-LIKPIUCQSA-N 336.390 4.589 10 50 EJCA biogenic Brc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccncc1)N2 1461880 KJEPIEODQZVTJC-CKEIUWERSA-N 327.225 4.671 10 50 EJCA CCCC(=O)N[C@H](c1ccc(C)cc1)c1c(O)ccc2ccccc12 446485 PAZAAPXEZGHLNW-JOCHJYFZSA-N 333.431 4.860 10 50 EJCA O=C(N[C@@H](c1ccco1)c1c(O)ccc2ccccc12)c1ccccc1 22130747 OFZKDWROJWDFHK-NRFANRHFSA-N 343.382 4.658 10 50 EJCA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 59267175 PTFPSHNSPUVOBT-GPMSIDNRSA-N 339.822 4.953 10 50 EJCA O=[N+]([O-])c1ccc(/N=N/c2ccc(N3CCOCC3)cc2Cl)cc1 22019014 KYMYYBRGVUBQJV-VHEBQXMUSA-N 346.774 4.500 10 50 EJCA CN(/C=C/C1=[N+](C)c2ccc(Cl)cc2C1(C)C)c1ccccc1 3877508 XVBLLAOSEZMPTH-UHFFFAOYSA-N 325.863 4.996 10 50 EJCA CC(C)(C)C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 136804 MVNNBWUETIDNRH-FQEVSTJZSA-N 333.431 4.797 10 50 EJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cc(C)ccc1C 1857524930 LJNQJGFQABMLAE-UHFFFAOYSA-N 333.435 4.639 10 50 EJCA CCCC(=O)N[C@@H](c1ccc(OC)cc1)c1c(O)ccc2ccccc12 245288 VGBJXXVKWAWGRC-QFIPXVFZSA-N 349.430 4.560 10 50 EJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 226769578 HYMCVDDWZHBQOW-VFVRVIDISA-N 325.795 4.865 10 50 EJCA O=C1c2ccccc2C(=O)N1Cc1ccc(/N=N/c2ccccc2)cc1 670431482 TVNMMOQZGVXGDF-GHVJWSGMSA-N 341.370 4.898 10 50 EJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 111477941 JUYCHQWVDSKDAZ-SXGZJXTBSA-N 337.394 4.829 10 50 EJCA CCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 4955217 ASHJMLRCKGFPBM-KPKJPENVSA-N 346.304 4.995 10 50 EJCA Cc1ccc(N2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1 1159991 WWJIFXWHMXWTIH-WJDWOHSUSA-N 325.458 4.709 10 50 EJCA O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H]([C@@H]1CC=CCC1)N2 84473 WCMULIPDJGIOHP-YMEQNVIZSA-N 346.814 4.764 10 50 EJCA C[C@@H]1C[C@@H](NCCc2ccc3[nH]ccc3c2)c2c(O)ccc(Cl)c21 1875341075 FJYQDICDRUUDMG-SJKOYZFVSA-N 340.854 4.908 10 50 EJCA CCOc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 4623261 AJDIKOQIHQXXBC-UHFFFAOYSA-N 331.375 4.593 10 50 EJCA COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 111478793 WGBCTMBCHGBEBX-JZKQVHKSSA-N 337.394 4.747 10 50 EJCA O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 15938712 DEPBWVRTJQCADN-CKEIUWERSA-N 325.795 4.865 10 50 EJCA Cc1ccc2cc(C3=C/C(=C/c4ccc([N+](=O)[O-])o4)C(=O)O3)ccc2c1 22064157 GUYZZHFCEAZSLX-YBEGLDIGSA-N 347.326 4.631 10 50 EJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 216013864 JGVZQZYRGOFCJB-IIDMSEBBSA-N 325.795 4.865 10 50 EJCA CCOc1ccc(C2=C/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1 446623 AHVNHFDPQORVRO-PTNGSMBKSA-N 326.779 4.720 10 50 EJCA C[C@H](NCc1cccc(-n2cccn2)c1O)c1csc2ccccc12 2325878693 YODQNWFBCLXNAF-AWEZNQCLSA-N 349.459 4.643 10 50 EJCA CCCn1c(N[C@H](C)c2cc(Cl)ccc2O)nc2ccccc21 111474 ONMZSGUEAUWIAY-GFCCVEGCSA-N 329.831 4.978 10 50 EJCA CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 1461956 WBBTXVLXSCOTRE-MBOZVWFJSA-N 336.391 4.820 10 50 EJCA CCc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 1149895 YBEWANFVHUNJOA-FOWTUZBSSA-N 331.506 4.783 10 50 EJCA CCN(CC)c1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1 1740248 RPXUXCFXWGEKGU-UHFFFAOYSA-N 333.435 4.928 10 50 EJCA CCOc1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 4140531 QWJMABCFVYELBB-FRQCXROJSA-N 335.403 4.610 10 50 EJCA CCCn1c(NCc2ccc(N(CC)CC)cc2)nc2ccccc21 617376 YYKXVVPZXUIMIJ-UHFFFAOYSA-N 336.483 4.905 10 50 EJCA Cc1ccc(C2=C/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)O2)c(C)c1 66720 CIWOSHOAHHIHRM-SXGWCWSVSA-N 335.359 4.501 10 50 EJCA CC(C)CN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 5497867 QNARDTDAMDFQAK-MHWRWJLKSA-N 327.474 4.697 10 50 EJCA O=C(c1ccccc1)c1ccccc1NC(=S)Nc1ccccc1 860176 XLIONEFSWFXXKA-UHFFFAOYSA-N 332.428 4.727 10 50 EJCA Oc1ccc(C2=NN(c3ccccc3)[C@@H](C=C(Cl)Cl)C2)cc1 4011886 SBNNDXKQXGKDGE-CQSZACIVSA-N 333.218 4.694 10 50 EJCA Oc1ccc2ncccc2c1[C@@H](Nc1ccccn1)c1ccc(F)cc1 4841207 TUGRAKNQRVNNEC-NRFANRHFSA-N 345.377 4.676 10 50 EJCA CC(C)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 5690024 XXMWTWPHTRVEQD-VZUCSPMQSA-N 332.277 4.603 10 50 EJCA Cc1ccc(-c2ccc(CCC(=O)O)n2CCc2ccccc2)cc1 470264 QIKDRUHTNOQZDM-UHFFFAOYSA-N 333.431 4.723 10 50 EJCA COc1ccc(O)c([C@H](C)NCc2ccc(-c3ccccc3)s2)c1 328595607 ZBNIIANCOZUOBB-AWEZNQCLSA-N 339.460 4.980 10 50 EJCA CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 4859728 YZDBUPRQFHMBHK-NTEUORMPSA-N 349.864 4.821 10 50 EJCA COc1cccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@H]32)c1 13425509 QQIBRIWAXMDLCH-HLIPFELVSA-N 335.403 4.528 10 50 EJCA Oc1ccccc1C1=NN(c2ccccc2)[C@@H](c2ccc(F)cc2)C1 13121746 AZFVNSILTBVJIL-HXUWFJFHSA-N 332.378 4.887 10 50 EJCA biogenic C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2F)SC1=S 5050487 WJJCSXBETIQVAP-JASJWYONSA-N 343.448 4.788 10 50 EJCA Oc1ccccc1CN1Cc2ccccc2O[C@@H](c2ccccc2F)C1 15002602 NTRCOGXYOUGNBK-JOCHJYFZSA-N 349.405 4.667 10 50 EJCA O=C1c2ccccc2C(=O)C1c1nc2ccc3ccccc3c2s1 100529935 MTBMRXGUVIVOMQ-UHFFFAOYSA-N 329.380 4.612 10 50 EJCA Nc1c(C(=O)O)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 48929 ISVCAHMLQMOYKV-UHFFFAOYSA-N 346.411 4.911 10 50 EJCA Cc1ccc([C@H](NC(=O)CC(C)C)c2ccc3cccnc3c2O)cc1 92393 AFVWPXYESDXYSF-FQEVSTJZSA-N 348.446 4.501 10 50 EJCA CCCC(=O)N[C@@H](c1ccc(C)cc1)c1c(O)ccc2ccccc12 446484 PAZAAPXEZGHLNW-QFIPXVFZSA-N 333.431 4.860 10 50 EJCA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 13615485 SMPRUDMZVSHSEE-IIDMSEBBSA-N 340.354 4.569 10 50 EJCA Oc1c([C@@H](Nc2ccccn2)c2cccs2)ccc2cccnc12 86265 ICJKSTJCIAGPIS-GOSISDBHSA-N 333.416 4.598 10 50 EJCA CC(C)N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S 5498194 DFFVYOSKMSPAOJ-IZZDOVSWSA-N 332.277 4.603 10 50 EJCA Oc1c(Cl)cc(Cl)cc1CN1CCCC[C@H]1c1cccnc1 22023324 ZUCUPAKYMMMZRG-INIZCTEOSA-N 337.250 4.821 10 50 EJCA CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 254567193 MZKPZDRFDHZNND-UHFFFAOYSA-N 343.343 4.765 10 50 EJCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3)c(O)c2n1 457912 JXFRSLRXSBGCHN-HXUWFJFHSA-N 341.414 4.845 10 50 EJCA CSc1ccc(Cl)c(C(=O)Nc2cccc(N3CCCC3)c2)c1 4843012 PEOPVYSLWNCYDV-UHFFFAOYSA-N 346.883 4.914 10 50 EJCA COc1cccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)c1OC 76126 PFQLKUOLASFGDB-VWKPWSFCSA-N 349.430 4.733 10 50 EJCA O=C1c2ccccc2C(=O)C1(Nc1ccccc1)c1ccc(Cl)cc1 280740 WNPYFSXVMGBASO-UHFFFAOYSA-N 347.801 4.727 10 50 EJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(OC)c1)N2 226859676 LKBRYPXSJXQDIM-LVCYWYKZSA-N 349.430 4.698 10 50 EJCA CCCn1cnc2cc(NCc3cccc(Br)c3)ccc21 1062214 UVKKCFOOKJQLDD-UHFFFAOYSA-N 344.256 4.821 10 50 EJCA CCCCOc1ccccc1/C=C1\SC(=S)N(CCCC)C1=O 2673182 LXCFGSXOZZJHAM-SSZFMOIBSA-N 349.521 4.867 10 50 EJCA Oc1ccc(-c2cccnc2)cc1CN1CC=C(c2ccccc2)CC1 14985074 NZYPNVCFHYLEDS-UHFFFAOYSA-N 342.442 4.744 10 50 EJCA COc1cccc(CNc2cc(C(F)(F)F)ccc2Cl)c1O 2165514 LTEDVVALUFCTMN-UHFFFAOYSA-N 331.721 4.685 10 50 EJCA O=C1c2ccccc2-c2onc3c(Oc4ccccc4)cc(O)c1c23 2896111 VFFLRXLCOBABIU-UHFFFAOYSA-N 329.311 4.537 10 50 EJCA Cc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 1227676 KYFFIMLKXVFFQT-WIXUPIFPSA-N 337.469 4.957 10 50 EJCA O=C1N=C(N2CCCCCC2)S/C1=C\c1cccc2ccccc12 449074 CTMBJMYWFWSYKF-JXAWBTAJSA-N 336.460 4.686 10 50 EJCA O=C(c1cccc2ccccc12)[C@H]1CCCN(Cc2ccccc2O)C1 14949237 MEIAQQFRUJWHHT-IBGZPJMESA-N 345.442 4.640 10 50 EJCA CC(C)CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 5497860 ZIUPKIPROZFTAZ-LFYBBSHMSA-N 346.304 4.851 10 50 EJCA COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2 59267106 WGBCTMBCHGBEBX-ARGWCVDVSA-N 337.394 4.747 10 50 EJCA CC(C)[C@H]1CC(=O)Oc2c1c1nc3ccccc3nc1c1ccccc21 217800949 GHNPXEGNEKDEMN-OAHLLOKOSA-N 342.398 4.985 10 50 EJCA biogenic Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccsc3)c(O)c2n1 2502837 PTPKJKSDOYLMPY-SFHVURJKSA-N 347.443 4.907 10 50 EJCA Cc1ccc([C@H](CCNCc2ccc(N(C)C)cc2)c2ccco2)cc1 2293224 VCVKUFZUEYXCIV-QFIPXVFZSA-N 348.490 4.966 10 50 EJCA Oc1ccc(-c2nc3ccc4ccccc4c3c3c2CCC3)cc1O 13125138 OGERJCPZFKTIGD-UHFFFAOYSA-N 327.383 4.955 10 50 EJCA C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12 19791532 ZTCLWGZTANQKDF-OAHLLOKOSA-N 349.430 4.540 10 50 EJCA biogenic C[C@H](NC(=O)Nc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 107041765 GJNJGGJALHPLCG-SJORKVTESA-N 337.467 4.806 10 50 EJCA Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc2ccccc2c1 1139055 ZWXSPSKRYAJYQU-WOJGMQOQSA-N 348.427 4.571 10 50 EJCA CN(C)c1ccc(CNCC[C@@H](Cc2ccccc2)c2ccco2)cc1 2295223 OYQJNUZLJJABAF-NRFANRHFSA-N 348.490 4.852 10 50 EJCA O=C1c2ccccc2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 4947813 IXCGZVUOUXKHFD-QURGRASLSA-N 327.343 4.903 10 50 EJCA O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1Cc1ccccc1 15011889 SXKLQIXSAPAAII-XNTDXEJSSA-N 345.876 4.741 10 50 EJCA Nc1ccc(NC(=O)Nc2ccc(OC3CCCCC3)cc2)cc1 841299398 CCPYCIGGQRWIJV-UHFFFAOYSA-N 325.412 4.624 10 50 EJCA COc1cccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@H]3C=CC[C@@H]32)c1 4123722 QQIBRIWAXMDLCH-ZWOKBUDYSA-N 335.403 4.528 10 50 EJCA Fc1cc(Br)cc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 16293397 AWUIRYGRUKHSCI-XJKCOSOUSA-N 345.215 4.810 10 50 EJCA CCOc1ccccc1-n1c(CCC(=O)O)ccc1-c1ccc(C)cc1 319234 JMBFGHGEOAMRTE-UHFFFAOYSA-N 349.430 4.869 10 50 EJCA CC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1ccc2ccccc2c1O 310530 XUJLEHPOYDLXTP-NRFANRHFSA-N 333.431 4.894 10 50 EJCA Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1[C@@H](C)c1ccccc1O 67740556 ZCBIXGXOIBXLBA-HNNXBMFYSA-N 344.418 4.564 10 50 EJCA CCCCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 2706880 PWQHRCDMVJKYRQ-VBKFSLOCSA-N 327.474 4.841 10 50 EJCA CCCCN(CCCC)c1ccc(/C=C2\SC(=S)NC2=O)cc1 15016515 KNESITAUUQWOSN-SSZFMOIBSA-N 348.537 4.582 10 50 EJCA Oc1c([C@@H](Nc2ccccn2)c2ccc(F)cc2)ccc2cccnc12 86371 ZFIFSEVGGSGLQA-IBGZPJMESA-N 345.377 4.676 10 50 EJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 12380176 NIEIBSOENFBQGF-FUHIMQAGSA-N 334.375 4.624 10 50 EJCA O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C\c1ccco1 5756651 BHQRPHQIVPXTCQ-XFFZJAGNSA-N 339.203 4.669 10 50 EJCA Cc1ccc([C@H](NC(=O)C(C)C)c2c(O)ccc3ccccc23)cc1 446388 ATNBYMSGDQQTHO-NRFANRHFSA-N 333.431 4.715 10 50 EJCA CN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 1193487 FUFXEOONIBMWLF-BOPFTXTBSA-N 335.453 4.824 10 50 EJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 227093146 SFADYRZNMJTATJ-FUHIMQAGSA-N 337.394 4.829 10 50 EJCA Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccnn2C)c(C)c1 100550218 LKTNEXPODAWWFM-GHVJWSGMSA-N 333.395 4.705 10 50 EJCA in-vitro COc1ccc(Cl)cc1Nc1nc(-c2ccc(O)c(O)c2)cs1 1137547 UTHUWHKWMILNDX-UHFFFAOYSA-N 348.811 4.627 10 50 EJCA Cc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1[N+](=O)[O-] 111057 AQROZSLJPRVSIH-RIYZIHGNSA-N 341.750 4.538 10 50 EJCA Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC[C@H](C3CCC3)C2)c1 1451447937 CVLSBVFDKIJWIJ-IBGZPJMESA-N 336.479 4.665 10 50 EJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 169682614 ZNUJLLXTCNTMOF-FUHIMQAGSA-N 337.394 4.829 10 50 EJCA Cc1cc2c(n1-c1cccc(OC(F)(F)F)c1)CC(C)(C)CC2=O 2582312 SFXXPXBEDCTIHO-UHFFFAOYSA-N 337.341 4.839 10 50 EJCA CCCCCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21 16361712 BXOGXHUHTWRYOC-UHFFFAOYSA-N 336.483 4.905 10 50 EJCA CC(C)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 1103182 DFFVYOSKMSPAOJ-WDZFZDKYSA-N 332.277 4.603 10 50 EJCA Cc1ccc(O)c(/N=N/c2ccc(I)cc2)c1 5379819 GVZZBOUSUGZCPY-FOCLMDBBSA-N 338.148 4.721 10 50 EJCA CCCCN1C(=O)/C(=C\C=C\C=C\Nc2ccccc2)SC1=S 15937645 SCCZIMZZRQKUKC-XYNPZBRDSA-N 344.505 4.713 10 50 EJCA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 616866 PTFPSHNSPUVOBT-JTDSTZFVSA-N 339.822 4.953 10 50 EJCA Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)CCC(=O)O)cc1 4695659 PKRGXTWTSPTONO-QZQOTICOSA-N 325.368 4.522 10 50 EJCA O=[N+]([O-])c1cc(C2Nc3cccc4cccc(c34)N2)ccc1Cl 232243 QNPAWQQYFSBQPE-UHFFFAOYSA-N 325.755 4.938 10 50 EJCA CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 5333705 BVMYCMVGLYEYLR-OPYAIIAOSA-N 333.431 4.862 10 50 EJCA Cc1nc2cc(NCc3ccccc3O)ccc2n1Cc1ccccc1 237778 DNRQRIUQDVKUPF-UHFFFAOYSA-N 343.430 4.711 10 50 EJCA CC1CCN(c2ccc([C@@H](C)NC(=O)Nc3ccccc3)cc2)CC1 72116076 GOQWKTSADONAOR-QGZVFWFLSA-N 337.467 4.806 10 50 EJCA COc1ccc(O)c([C@@H](C)NCc2ccc(-c3ccccc3)s2)c1 328595608 ZBNIIANCOZUOBB-CQSZACIVSA-N 339.460 4.980 10 50 EJCA O=C(c1cccc2ccccc12)[C@@H]1CCCN(Cc2ccccc2O)C1 14949234 MEIAQQFRUJWHHT-LJQANCHMSA-N 345.442 4.640 10 50 EJCA CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 1206777 NIEIBSOENFBQGF-UWVAXJGDSA-N 334.375 4.624 10 50 EJCA CCCC[C@H](CC)CN1C(=O)/C(=C/c2cccc(O)c2)SC1=S 2678127 INGAQCMJEHLLOQ-RERGGYADSA-N 349.521 4.810 10 50 EJCA CC(C)CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 379088 UOLRIUAWKGHNQT-JOCHJYFZSA-N 333.431 4.797 10 50 EJCA O=C1c2ccccc2C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 1083674 UBEKWBZJHSHKCG-UJKMTWAASA-N 336.390 4.589 10 50 EJCA biogenic