smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(C)c1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1 1149532 SEKLFYGGPXVGNV-LGMDPLHJSA-N 360.548 4.534 10 50 FJCA Cc1nn(-c2ccccc2)c(N)c1/N=N/c1ccc(Br)cc1 12436428 HYPRZRZKGBUQGH-FMQUCBEESA-N 356.227 4.941 10 50 FJCA CCc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(CC)C3=O)c2C)cc1 22309523 PWXZPSPKTCJSHF-PDGQHHTCSA-N 370.543 4.878 10 50 FJCA Clc1cccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)c1 1426790 YMDFBDNDBCEGQL-UHFFFAOYSA-N 351.793 4.760 10 50 FJCA COC(=O)c1cc2ccccc2c(CN2CCCc3cc(C)ccc32)c1O 1875391440 YPYXWMRFVDUPIH-UHFFFAOYSA-N 361.441 4.593 10 50 FJCA O=C(N[C@H](c1cccs1)c1ccc2cccnc2c1O)C1CCCCC1 869252 JCMVPOVHTZCXCY-IBGZPJMESA-N 366.486 4.788 10 50 FJCA CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)SC1=S 4725661 KWJDTPKYTZYBLI-LDADJPATSA-N 369.511 4.795 10 50 FJCA CCCC[C@@H]1CN(C(=O)c2c(C)c3ccccc3n2C)C[C@H](C(C)C)O1 1857722895 RZZAHSADASMTCW-YLJYHZDGSA-N 356.510 4.543 10 50 FJCA S=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCCCC1 637833 YDVWQUFAKLWTBU-UHFFFAOYSA-N 350.281 4.871 10 50 FJCA CCOc1cc2c(cc1OCC)[C@@H](c1ccc(N(CC)CC)cc1)NCC2 720437 JEVAYPSUASEISM-HSZRJFAPSA-N 368.521 4.565 10 50 FJCA Cc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3O)C2)cc1 4292049 BFOMBLPFIDOMPL-SFHVURJKSA-N 362.454 4.754 10 50 FJCA Oc1c([C@H](Nc2ccccn2)c2ccccn2)cc(Cl)c2cccnc12 5049225 VUANHPCNSHUHCF-SFHVURJKSA-N 362.820 4.585 10 50 FJCA COc1ccccc1[C@H]1CN(Cc2ccccc2O)Cc2ccccc2O1 20455309 IMJUVXAFXYQWOK-HSZRJFAPSA-N 361.441 4.537 10 50 FJCA COc1ccc2c(c1)c(=O)oc1cc(O[C@H](C)C(=O)c3ccccc3)ccc12 1184529 USICUHWHVDTWQF-CQSZACIVSA-N 374.392 4.605 10 50 FJCA Oc1c([C@@H](Nc2ccccn2)c2ccccn2)cc(Cl)c2cccnc12 19849903 VUANHPCNSHUHCF-GOSISDBHSA-N 362.820 4.585 10 50 FJCA Ic1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 96006171 CFRHLUTVPLEIPB-CPUCHLNUSA-N 374.225 4.513 10 50 FJCA C[C@H]1CCC[C@H](C)N1Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 934314 ARHMXGGUMSXGFS-HOTGVXAUSA-N 363.457 4.929 10 50 FJCA biogenic,in-vitro COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc1 1203149 VALZHLSSPVOKOW-BOPFTXTBSA-N 355.484 4.718 10 50 FJCA Cc1ccc(C)c([C@H](Nc2ncccn2)c2ccc3cccnc3c2O)c1 4865993 DSBAABFLXWEIFR-HXUWFJFHSA-N 356.429 4.549 10 50 FJCA O=C(O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 5448559 CUIOJCKYAHLGCJ-JKIFEVAISA-N 370.246 4.974 10 50 FJCA COc1cccc(O)c1CN1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 12449105 ZNLYEXLTPRCWOZ-IBGZPJMESA-N 354.494 4.601 10 50 FJCA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(C)c(C)c1 12410886 ZDCPTMZHKNGIKQ-UYRXBGFRSA-N 351.425 4.941 10 50 FJCA CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCCC3)c12 2667116 VIMMVCAKDVTEMS-UHFFFAOYSA-N 365.429 4.578 10 50 FJCA biogenic CN(C)c1ccc(CNc2nc3ccccc3n2Cc2ccccc2)cc1 1221273 SAUFCCBTVCWDED-UHFFFAOYSA-N 356.473 4.763 10 50 FJCA CN(C)c1ccc(-c2nc3ccccc3n2CCOc2ccccc2)cc1 1470682 OROUOPPWMUAYOE-UHFFFAOYSA-N 357.457 4.848 10 50 FJCA CN(C)c1ccc(/N=N/c2ccc(I)cc2)cc1 5173004 JSCFDMNXBTVUTH-WUKNDPDISA-N 351.191 4.773 10 50 FJCA Oc1ccc(Br)cc1CN1CC=C(c2ccc(F)cc2)CC1 23280000 LBFMDIKAJXIODC-UHFFFAOYSA-N 362.242 4.583 10 50 FJCA COc1ccc2c(c1)c(=O)oc1cc(OCc3ccc(F)cc3)ccc12 1184574 KLOPDYVSUSYTAM-UHFFFAOYSA-N 350.345 4.673 10 50 FJCA Cc1ccc(NCN2C(=O)/C(=C/c3ccccc3F)SC2=S)c(C)c1 334160522 GOPVMFRBGRWHSW-YVLHZVERSA-N 372.490 4.713 10 50 FJCA O=C1NC(=S)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 1131034 IGASLWTVCVCQBF-NTEUORMPSA-N 363.916 4.980 10 50 FJCA CN1C(=O)/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC1=S 4860058 DSGAEPGIAOFBAS-NTUHNPAUSA-N 353.827 4.570 10 50 FJCA O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1Cc1ccco1 1212750 ZXZZEAJKZYTEKM-GZTJUZNOSA-N 351.452 4.834 10 50 FJCA O=C(O)c1cccc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 3999515 GHNIMUHUJRZICV-PRXAMGSTSA-N 370.246 4.974 10 50 FJCA biogenic COC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCCC3 1229619 WBAMNINCLGZOKP-UHFFFAOYSA-N 372.877 4.864 10 50 FJCA O=C1c2ccccc2C(=O)C1C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 100038034 UDHXJZHVNHGCEC-LJQANCHMSA-N 374.823 4.736 10 50 FJCA in-vitro O=C1NC(=S)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 12428514 PQCBMLVRDBJEMS-SDQBBNPISA-N 356.255 4.742 10 50 FJCA CCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 55496517 DFQQULRNILHALZ-GHRIWEEISA-N 355.484 4.881 10 50 FJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 1216756 XPWBIFYCUFEFIV-RVKKMQEKSA-N 370.246 4.974 10 50 FJCA biogenic Cc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c1C 1213726 FGOCZHNEIVQETJ-YBEGLDIGSA-N 370.455 4.617 10 50 FJCA CCc1ccc(N2C(=O)N=C(O)/C(=C/c3c(C)[nH]c4ccccc34)C2=O)cc1 20119289 ZHWJBAMZUHQVTQ-PDGQHHTCSA-N 373.412 4.545 10 50 FJCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3F)c(O)c2n1 2502834 ZBSFWMFAUJYPJC-OAQYLSRUSA-N 359.404 4.984 10 50 FJCA CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O 4521973 OCQDPIXQTSYZJL-UHFFFAOYSA-N 350.462 4.886 10 50 FJCA in-vitro CSc1ccc(C(=O)c2coc3ccc(O)c(CN4CCCC4)c23)cc1 218605579 VFTJYRUBDHNCAI-UHFFFAOYSA-N 367.470 4.687 10 50 FJCA CCOc1c(Cl)cc(/C=C2\SC(=S)N(CC)C2=O)cc1Cl 1163994 LASPZNZZJOAVJV-XFFZJAGNSA-N 362.303 4.613 10 50 FJCA COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1C 16193532 MHVZYROVVISLLC-YBEGLDIGSA-N 358.850 4.739 10 50 FJCA Ic1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2 43769608 CFRHLUTVPLEIPB-CKEIUWERSA-N 374.225 4.513 10 50 FJCA CCCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 16115835 FMIBBJGKJOHINX-AQTBWJFISA-N 369.511 4.877 10 50 FJCA CC[C@@H](NCN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1 334161061 RWKVFAYAMOMCCB-GFWHJHDHSA-N 368.527 4.586 10 50 FJCA C[C@@H]1C[C@H](N[C@H](c2ccncc2)c2ccc(F)cc2)c2c(O)ccc(F)c21 1875259804 RAOZVJSFJAZHIB-JCHSIQAQSA-N 366.411 4.993 10 50 FJCA Cc1ccc(OCc2ccccc2F)c(/C=C2\SC(=S)N(C)C2=O)c1 16212994 ZXIQEQSVTDAUQE-YVLHZVERSA-N 373.474 4.544 10 50 FJCA Oc1cc(Br)ccc1[C@H]1Cc2cc(Br)ccc2N1 220155504 UEUDUQLMNBTXFJ-CYBMUJFWSA-N 369.056 4.627 10 50 FJCA CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)coc12 19791564 GUYPNSDPAISEDL-UHFFFAOYSA-N 357.837 4.661 10 50 FJCA biogenic COc1cc(C2Nc3cccc4cccc(c34)N2)cc(Br)c1O 625333 CKTGWRZQTGORDF-UHFFFAOYSA-N 371.234 4.853 10 50 FJCA CCCCN(CC)Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 1782044 GOANVLYQSREXOW-UHFFFAOYSA-N 351.446 4.788 10 50 FJCA biogenic Cc1c([C@H](C)NCc2cc(Cl)ccc2O)cnn1-c1cccc(F)c1 12386990 VSSMZQQKGDUHPV-LBPRGKRZSA-N 359.832 4.530 10 50 FJCA CCN(CC)c1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 1188448 DRBXVFBACMPALE-NBVRZTHBSA-N 352.459 4.774 10 50 FJCA CN(C)c1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 12414050 OQCQLIHCUJYMPP-WJDWOHSUSA-N 358.850 4.647 10 50 FJCA COc1ccccc1N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 1212868 REWASWMNTSSFTJ-GDNBJRDFSA-N 361.875 4.754 10 50 FJCA C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1189716 JEKGLNUTGNXJHY-COOUDCDJSA-N 370.455 4.557 10 50 FJCA Fc1ccc(-c2ccc(C(=S)N3CCN(c4ccccc4)CC3)o2)cc1 1213537 ZGFIQKVPKGAFGX-UHFFFAOYSA-N 366.461 4.583 10 50 FJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 1189085 GCMQSOVOYOJAMC-QEEYODRMSA-N 364.401 4.598 10 50 FJCA Oc1cc2c(cc1[C@H](c1ccc(Cl)c(Cl)c1)N1CCCC1)OCO2 5890799 PALXEUVWNGHGKV-SFHVURJKSA-N 366.244 4.613 10 50 FJCA Cc1ccc2c(c1)CN(Cc1ccccc1O)C[C@@H](c1ccsc1)O2 19744435 ACLXGULCGUSSCZ-NRFANRHFSA-N 351.471 4.898 10 50 FJCA CCCCN1C(=O)/C(=C2/C=Cc3cc(C)ccc3N2CC)SC1=S 100709497 YPHSFNZLZHGBLY-WUKNDPDISA-N 358.532 4.720 10 50 FJCA O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccccc1F 18179458 SACQMCRLHPZUKD-SXGWCWSVSA-N 354.431 4.713 10 50 FJCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100501546 RWPOVWXRIBRELI-CPNJWEJPSA-N 373.368 4.661 10 50 FJCA CN(C)c1ccc(CNCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 3999287 WMBFSYYWMFHWBX-XMMPIXPASA-N 366.549 4.759 10 50 FJCA biogenic O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)N2 5636305 CFZIVKYCXBJSFO-FTLABTOESA-N 369.804 4.593 10 50 FJCA CCOc1cccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c1O 12712264 QMHPKDVWTHFUTR-INIZCTEOSA-N 373.880 4.539 10 50 FJCA COc1ccc([C@H](NC(=O)CC(C)C)c2c(O)ccc3ccccc23)cc1 2814778 SBEQKDJKIXQPDJ-QHCPKHFHSA-N 363.457 4.806 10 50 FJCA CCOc1ccc(N2C(=O)/C(=C\c3sccc3C)SC2=S)cc1 5593055 XCQTZQPQVJGMFA-XNTDXEJSSA-N 361.513 4.861 10 50 FJCA O=C(c1ccsc1)c1coc2ccc(O)c(CN3CCCCCC3)c12 218450560 SGLVPLYYAVMANH-UHFFFAOYSA-N 355.459 4.807 10 50 FJCA O=C(O)CCc1ccc(-c2ccc(F)cc2)n1-c1cc(Cl)ccc1O 4151214 JWZOCTNGWVMNHX-UHFFFAOYSA-N 359.784 4.660 10 50 FJCA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1c[nH]c2ccccc12 12436426 BCYDMJLVYUQJSX-PDGQHHTCSA-N 374.400 4.662 10 50 FJCA O=C(O)c1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 3999514 GHNIMUHUJRZICV-JKDFXYPNSA-N 370.246 4.974 10 50 FJCA biogenic Cc1ccc(C2=NN3[C@H](c4ccccc4O)Oc4ccccc4[C@H]3C2)cc1 248118510 WIIIZJHLBMRXNK-OFNKIYASSA-N 356.425 4.943 10 50 FJCA CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 12414015 WPTKZYWBXZTWHJ-XLNRJJMWSA-N 367.452 4.587 10 50 FJCA O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1Cc1ccccc1 13546267 SYIAWOTYQLHYDS-OQLLNIDSSA-N 363.866 4.881 10 50 FJCA Cc1cccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)c1 1159376 QAZLPPHIKSPUPB-YVLHZVERSA-N 350.468 4.882 10 50 FJCA CCc1ccccc1N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1136283 VJORKHJMCCEYPT-WJDWOHSUSA-N 370.455 4.563 10 50 FJCA O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)OCO3)N2 59267086 CFZIVKYCXBJSFO-FMTVUPSXSA-N 369.804 4.593 10 50 FJCA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2O)cc1 248118513 WIIIZJHLBMRXNK-REWPJTCUSA-N 356.425 4.943 10 50 FJCA Oc1ccc2ccccc2c1[C@@H](c1ccccc1)n1nnc2ccccc21 5489532 LIODSMBZOBJAEC-HSZRJFAPSA-N 351.409 4.928 10 50 FJCA COc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c1 977985 BSAGIILJJNJUPR-BOPFTXTBSA-N 355.484 4.718 10 50 FJCA COc1cccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1 1168795 LRIKTDRCLNJXMA-FQEVSTJZSA-N 357.413 4.546 10 50 FJCA Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)c1 1205744 RQHXVGWJAZWSBW-UHFFFAOYSA-N 361.850 4.616 10 50 FJCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 100725944 VINKDOVSSKPILU-CPNJWEJPSA-N 373.368 4.661 10 50 FJCA CN(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4116918 DASLOOOYNFKLOY-LADGPHEKSA-N 369.468 4.995 10 50 FJCA CN(C)c1ccc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 1201468 SWSDQWXCFXYOME-QHCPKHFHSA-N 369.468 4.837 10 50 FJCA O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O 4402190 KAOWYSLDVKCDAP-GHVJWSGMSA-N 371.352 4.601 10 50 FJCA COc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)c(C)c1 4738972 YUFLQOIVQBPLAP-XNTDXEJSSA-N 371.230 4.747 10 50 FJCA COc1cccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1 1221369 PFMFYTQDMVIPID-HGQQOXHYSA-N 353.468 4.657 10 50 FJCA Cc1c(F)c(F)c(NNC(=S)Nc2ccc(Cl)cc2)c(F)c1F 2543408 HFCZHCPDKMPFQJ-UHFFFAOYSA-N 363.767 4.518 10 50 FJCA C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(C2CCCC2)C1=O 16225688 LLQWTVMUCUAURZ-UEMWTREESA-N 357.500 4.538 10 50 FJCA CCOc1ccc([C@@H](Nc2ccccn2)c2c(O)ccc3ncccc23)cc1 4840963 YPSLZNUGTACETK-HSZRJFAPSA-N 371.440 4.936 10 50 FJCA CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)SC1=S 4725658 YSUSGSLYZFCNAC-LDADJPATSA-N 369.511 4.795 10 50 FJCA CCCCc1cc(=O)oc2c(CN3CCC[C@H](C)C3)c(O)c(Cl)cc12 20362928 CFJJUQDNDHRZJU-ZDUSSCGKSA-N 363.885 4.727 10 50 FJCA O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1c1ccc(O)cc1 1210182 VBPUTAREEXSABB-PDGQHHTCSA-N 363.463 4.951 10 50 FJCA CCOC(=O)c1sc2nc(C3CC3)cc(-c3ccc(OC)cc3)c2c1N 753639 DNARENLDZDONDN-UHFFFAOYSA-N 368.458 4.608 10 50 FJCA CCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OC 1166748 GUJYKISYYUOIPJ-GZTJUZNOSA-N 370.836 4.553 10 50 FJCA O=C1c2ccccc2N[C@@H](c2ccccc2O)N1c1ccc(Cl)cc1 3904200 VVRJCPKFYWWKJX-LJQANCHMSA-N 350.805 4.817 10 50 FJCA O=C1OC(c2ccccc2)=C/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1200295 SMZUTULIDFQMRT-VBKFSLOCSA-N 359.337 4.836 10 50 FJCA Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cccc2ccccc12 16193293 SRSHCQATODFDNA-WQRHYEAKSA-N 364.495 4.736 10 50 FJCA Cc1cccc(N[C@@H](c2cccc(C)n2)c2ccc3ccc(C)nc3c2O)n1 1168836 RHYVTSSHEZTLOO-JOCHJYFZSA-N 370.456 4.857 10 50 FJCA O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 4859592 DNBJCVYANBEAGR-GDZNZVCISA-N 370.792 4.773 10 50 FJCA CCN(CC)c1ccc(N=Nc2ccc(N(C)C)cc2)c(NC(N)=O)c1 254441943 RXOZZLPHRWXTQU-UHFFFAOYSA-N 354.458 4.505 10 50 FJCA Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1Cl 1136223 UGIMQYNUAPTALJ-NVNXTCNLSA-N 361.875 4.760 10 50 FJCA CCCCCCNc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 2160914 QXDMGFARPQRPRI-UHFFFAOYSA-N 360.457 4.742 10 50 FJCA biogenic CCN1/C(=C2/SC(=S)N(C3CCCCC3)C2=O)C=Cc2ccccc21 100302949 QSAOJMBUFPYATO-ISLYRVAYSA-N 370.543 4.944 10 50 FJCA O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCc1ccccc1 1146443 IOOSWRIGAAXTSL-LKZNJTCTSA-N 351.496 4.687 10 50 FJCA Cc1ccc(CC2(CC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 1204472 NSRNYPBMOZXLNM-UHFFFAOYSA-N 368.432 4.876 10 50 FJCA O=C1OC(c2ccc(Br)cc2)=C/C1=C\C=C\c1ccccc1 2936369 JATTVWAZTFNYQV-LHQXNBGVSA-N 353.215 4.987 10 50 FJCA CCCCC(=O)N[C@@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O 2816852 QJPPDBAPLCTLOY-IBGZPJMESA-N 368.864 4.990 10 50 FJCA [N-]=[N+]=NCCCCCNC(=O)c1cc(-c2ccccn2)nc2ccccc12 1875298983 UWKHVTCDUNNENF-UHFFFAOYSA-N 360.421 4.507 10 50 FJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 169682613 ZVADUHWSMMXPBN-MBOZVWFJSA-N 364.401 4.598 10 50 FJCA C[C@@H](Nc1noc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1O 2356158709 WCYUABVJFWICOW-SNVBAGLBSA-N 358.781 4.572 10 50 FJCA Cc1ccnc(N[C@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)c1 1120762 IIWPMNYYCZOWBD-NRFANRHFSA-N 356.429 4.549 10 50 FJCA CCOc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 4164785 VMUHMDGSZGRPDO-NRFANRHFSA-N 371.440 4.936 10 50 FJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 169685487 ZDWQMRJXNDYJAD-FUHIMQAGSA-N 364.401 4.598 10 50 FJCA C[C@H]1CCC[C@@H](C)N1Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 934312 ARHMXGGUMSXGFS-IYBDPMFKSA-N 363.457 4.929 10 50 FJCA biogenic,in-vitro Cc1ccccc1N1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 64084429 RTSIMSRZSHQSAK-UHFFFAOYSA-N 358.485 4.690 10 50 FJCA CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 1085041 FGFXTJXKYUNNBQ-SFQUDFHCSA-N 372.515 4.527 10 50 FJCA CN(C)c1ccc([C@@H]2N=C(c3ccccc3)[C@H]3[C@H](c4ccccc4)N23)cc1 230133748 RSXWXEAYFFVBFX-FVVHVWBPSA-N 353.469 4.680 10 50 FJCA CC(C)N(Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12)C(C)C 19787116 VXWCYVMCGMYZEL-UHFFFAOYSA-N 351.446 4.784 10 50 FJCA biogenic C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(C2CCCCC2)C1=O 13564276 KRRRLZIWNFUAFE-FDIDITGRSA-N 371.527 4.928 10 50 FJCA Cc1cc(C)c([C@@H](C)NCCCc2nc(-c3ccncc3)cs2)c(O)c1 815593370 KLMGHNXQMMKPTM-MRXNPFEDSA-N 367.518 4.811 10 50 FJCA O=c1c(-c2ccccc2Cl)c(C(F)(F)F)oc2c(O)c(O)ccc12 4754955 OIXWCDRQJHCECJ-UHFFFAOYSA-N 356.683 4.543 10 50 FJCA CCOc1cccc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c1O 12459425 FVLYQEMLFKRDHT-MRXNPFEDSA-N 373.880 4.539 10 50 FJCA COc1cccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)c1 2978160 ZUWZEUHOMMKNAZ-OAQYLSRUSA-N 371.440 4.854 10 50 FJCA O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@H]1Cc2ccccc21 4773825 LBWLABBYYBRELI-QGZVFWFLSA-N 358.397 4.578 10 50 FJCA CN(C)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccccc4)N23)cc1 25763155 RSXWXEAYFFVBFX-WOOZGKCQSA-N 353.469 4.680 10 50 FJCA CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 1179889 JYXAVNAWLJGBSM-BOPFTXTBSA-N 372.877 4.643 10 50 FJCA COc1cc(Br)cc(CNc2ccc(C(C)C)cc2)c1O 2544783 QYQVBOUQXGVUQZ-UHFFFAOYSA-N 350.256 4.899 10 50 FJCA CCOc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc(Cl)c1O 12411350 SUBMRWBVOYVTQQ-YBEGLDIGSA-N 373.861 4.814 10 50 FJCA Cc1ccc(/C=C2/SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)o1 1165143 GWDUUVOPQXWTGK-XMHGGMMESA-N 366.486 4.513 10 50 FJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 169682731 GCMQSOVOYOJAMC-SXGZJXTBSA-N 364.401 4.598 10 50 FJCA Clc1ccccc1CSc1nnc2c(n1)OC=Nc1ccccc1-2 795598 CYDGUBIKMRGWSO-UHFFFAOYSA-N 354.822 4.537 10 50 FJCA CN(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 12039548 DASLOOOYNFKLOY-ISKFKSNPSA-N 369.468 4.995 10 50 FJCA O=C1/C(=C\c2ccncc2)SC(=S)N1c1cccc(C(F)(F)F)c1 4477981 HWNPLTRMJFWBFM-MDWZMJQESA-N 366.389 4.506 10 50 FJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 101848714 XPWBIFYCUFEFIV-VKJFTORMSA-N 370.246 4.974 10 50 FJCA biogenic O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 111478905 CFZIVKYCXBJSFO-SEDUGSJDSA-N 369.804 4.593 10 50 FJCA COc1ccccc1N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1227898 BCTRHWYEJXXTFR-DESBJYGPSA-N 353.468 4.657 10 50 FJCA COc1ccc(Cl)cc1-n1c(CCC(=O)O)ccc1-c1cccs1 2251895 NIQCJYWWBXGYHV-UHFFFAOYSA-N 361.850 4.885 10 50 FJCA Cc1ccc(-c2ccc(C(=S)N3CCN(c4ccccc4)CC3)o2)cc1 1152957 ZGLMZHWSTOISIK-UHFFFAOYSA-N 362.498 4.753 10 50 FJCA Oc1c(Cl)cc(Cl)cc1CN1CCN(c2ccc(Cl)cc2)CC1 55292213 IEXUVPDZUXXOBY-UHFFFAOYSA-N 371.695 4.675 10 50 FJCA C[C@H](Nc1noc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1O 2356158708 WCYUABVJFWICOW-JTQLQIEISA-N 358.781 4.572 10 50 FJCA Cc1nc(N)sc1-c1csc(Nc2cccc(C(F)(F)F)c2)n1 1123806 VMVYNWWVDJTLKX-UHFFFAOYSA-N 356.398 4.920 10 50 FJCA O=C(c1ccco1)c1coc2ccc(O)c(CN3CCc4ccccc4C3)c12 217945735 XIUAHAFEHGNAJR-UHFFFAOYSA-N 373.408 4.521 10 50 FJCA biogenic COc1ccccc1[C@@H]1CN(Cc2ccccc2O)Cc2ccccc2O1 20455307 IMJUVXAFXYQWOK-QHCPKHFHSA-N 361.441 4.537 10 50 FJCA Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 1187165 FOONSDURONQDMT-GZTJUZNOSA-N 354.475 4.716 10 50 FJCA Oc1c([C@@H](Nc2ccccn2)c2cccnc2)cc(Cl)c2cccnc12 19849855 ZQQXRNUVLBLBNW-SFHVURJKSA-N 362.820 4.585 10 50 FJCA COc1ccccc1/C=C1\SC(=S)N(c2cccc(C)c2C)C1=O 977981 AYVXFJGLFWKUBT-BOPFTXTBSA-N 355.484 4.718 10 50 FJCA c1ccn(-c2ccc(-c3noc(COc4ccc5c(c4)CCC5)n3)cc2)c1 4623089 XMHZYBAWVZECGY-UHFFFAOYSA-N 357.413 4.595 10 50 FJCA COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=S)cc1OC 13648028 VGBYEBSFVCWQIA-BOPFTXTBSA-N 371.483 4.741 10 50 FJCA O=[N+]([O-])c1ccc(/N=N/Cc2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 4798400 LDROVBUDWXUASY-VHEBQXMUSA-N 352.306 4.646 10 50 FJCA CN(C)c1ccc(/N=N\c2cccc3c2C(=O)c2ccccc2C3=O)cc1 13221554 BRZXLFVLBKLMQB-VHXPQNKSSA-N 355.397 4.943 10 50 FJCA CCOc1ccc(N2CSC(=S)N(c3ccc(OCC)cc3)C2)cc1 640447 DYMYAZDZGJDFMD-UHFFFAOYSA-N 374.531 4.744 10 50 FJCA CCN(CC)c1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 12411710 FGFXTJXKYUNNBQ-ATVHPVEESA-N 372.515 4.527 10 50 FJCA CCCCc1cc(=O)oc2c(CN3CCC[C@@H](C)C3)c(O)c(Cl)cc12 20362926 CFJJUQDNDHRZJU-CYBMUJFWSA-N 363.885 4.727 10 50 FJCA CCOC(=O)c1sc2nc(C3CC3)cc(-c3ccc(F)cc3)c2c1N 1232532 KVLQRCMCEFOEHG-UHFFFAOYSA-N 356.422 4.739 10 50 FJCA CN(C)c1ccc(/C=C/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 2914490 CRYPYKDUSWBEOO-ZOQHSEBNSA-N 372.559 4.843 10 50 FJCA Oc1ccc(Br)cc1CNc1ccc(OC(F)(F)F)cc1 732340 VXWSVYZGYQEVCC-UHFFFAOYSA-N 362.145 4.665 10 50 FJCA COC(=O)c1ccc2c(c1C)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4983787 QTGKOXFXCBBNSZ-SQGPQFPESA-N 364.401 4.516 10 50 FJCA O=C1/C(=C/C=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 1152141 ACCUNNQMMUCLQA-PFKGSKDKSA-N 368.439 4.557 10 50 FJCA O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 4859590 DNBJCVYANBEAGR-OGHNNQOOSA-N 370.792 4.773 10 50 FJCA COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(Cl)ccc2O)cc1 1119751 NRRAHANSTHWCSI-UHFFFAOYSA-N 371.820 4.529 10 50 FJCA CN(c1ccccc1)c1ccc([C@H]2NN=C(c3ccccc3O)S2)cc1 2917673 NJAMCVKCVAOGMK-FQEVSTJZSA-N 361.470 4.857 10 50 FJCA CCn1c(/C=C/c2c(C)n(CC)c3ccccc23)nc2ccccc2c1=O 4757698 BMWBCAUHTWKYKU-CCEZHUSRSA-N 357.457 4.870 10 50 FJCA CSc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 16193075 IGUTZFUVJFZAAZ-GDNBJRDFSA-N 361.488 4.953 10 50 FJCA CN(C)c1ccc([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 1201467 SWSDQWXCFXYOME-HSZRJFAPSA-N 369.468 4.837 10 50 FJCA Cc1cccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)c1C 1214656 TUGHOPMBMSNTOS-YBEGLDIGSA-N 370.455 4.617 10 50 FJCA Cc1ccccc1N1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)SC1=S 13546257 OWDZKRBGXBFHPV-MHWRWJLKSA-N 370.455 4.617 10 50 FJCA CSc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1 1159842 IGUTZFUVJFZAAZ-XNTDXEJSSA-N 361.488 4.953 10 50 FJCA Cc1ncn(-c2ccc([C@H](C)NCc3c(C)c4ccccc4n3C)cn2)c1C 2325803694 WCAHUNFPTGBSCI-KRWDZBQOSA-N 373.504 4.535 10 50 FJCA O=C1/C(=C\c2cccnc2)SC(=S)N1c1cccc(C(F)(F)F)c1 4477982 YDOUOIURNQPMSS-NTUHNPAUSA-N 366.389 4.506 10 50 FJCA CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S 4663307 DFKHRMNNILDGRM-WOJGMQOQSA-N 364.495 4.521 10 50 FJCA COc1ccc([C@@H](Nc2ccccn2)c2c(O)ccc3ncccc23)cc1 4841959 RGZLLMZYKBBZCE-JOCHJYFZSA-N 357.413 4.546 10 50 FJCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(F)cc3)c(O)c2n1 2977794 LFYIPVBMUBBSDE-HXUWFJFHSA-N 359.404 4.984 10 50 FJCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)c3ccccc3)ccc12 2826423 QZJFHNFVMDZENU-UHFFFAOYSA-N 374.392 4.525 10 50 FJCA CN(Cc1ccccc1)Cc1c(O)ccc2occ(C(=O)c3ccco3)c12 252485480 GWFVVEPWDWWIKF-UHFFFAOYSA-N 361.397 4.594 10 50 FJCA biogenic CN(C)c1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1 16310599 BFAXYCSSWLKFGM-WJDWOHSUSA-N 374.918 4.812 10 50 FJCA O=C1/C(=C/c2ccco2)SC(=S)N1c1cccc(C(F)(F)F)c1 1197352 HPKXVULFTFDFGH-WQLSENKSSA-N 355.362 4.704 10 50 FJCA CN(C)C(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 4322664 LWGGYKSVOHPEPZ-UHFFFAOYSA-N 351.409 4.791 10 50 FJCA CCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl 4819465 HTZJUCZSLBANDZ-SFQUDFHCSA-N 354.837 4.935 10 50 FJCA COc1ccc2ccc(OC)c(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2c1 100913220 PBGBCVDQGRYXJX-XMHGGMMESA-N 372.424 4.663 10 50 FJCA COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2ccccc2)cc1 847790 IRZBWVRFQSKLKU-UHFFFAOYSA-N 360.457 4.729 10 50 FJCA C[C@@H]1CCC[C@@H](C)N1Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 934313 ARHMXGGUMSXGFS-HZPDHXFCSA-N 363.457 4.929 10 50 FJCA biogenic,in-vitro Cc1cc(/N=N/c2c(C)nn(-c3ccccc3)c2N)n(-c2ccccc2)n1 4179516 DBSFTNDQYTZVBM-GHVJWSGMSA-N 357.421 4.672 10 50 FJCA O=C(O)c1cccc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 12660248 GHNIMUHUJRZICV-PEBVRCNWSA-N 370.246 4.974 10 50 FJCA biogenic O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)cc1 4859399 MULMJULXBQRDJB-HXUWFJFHSA-N 359.385 4.656 10 50 FJCA Cc1ccnc(N[C@@H](c2cccc(C)n2)c2ccc3cccnc3c2O)c1 19799873 IWBUDQDRPGGZSE-OAQYLSRUSA-N 356.429 4.549 10 50 FJCA CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1 5073784 LXGWEPONVHCHEX-FOWTUZBSSA-N 358.488 4.532 10 50 FJCA CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 13809723 PTYUULUNHZTLHK-ATVHPVEESA-N 355.484 4.800 10 50 FJCA CCOC(=O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4181564 SZAVPYCBCXMPCA-FRQCXROJSA-N 364.401 4.598 10 50 FJCA CN(C)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc12 20010820 WZNAIIFDNSSJCC-UHFFFAOYSA-N 364.228 4.534 10 50 FJCA biogenic,in-vitro O=C1N=C(N2CCCC2)S/C1=C\c1cccc(Oc2ccccc2)c1 1123547 XSPCKKUFBVAXNP-JXAWBTAJSA-N 350.443 4.545 10 50 FJCA COc1ccc(N2CCN(c3cc(C)c4ccc(Cl)cc4n3)CC2)cc1 19720701 QDLPIAQVCAURBF-UHFFFAOYSA-N 367.880 4.532 10 50 FJCA O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1ccc(Cl)cc1 72138201 AQNDWTVLZSMOQU-FMIVXFBMSA-N 373.843 4.664 10 50 FJCA Cc1cc(C)c([C@H](C)NCCCc2nc(-c3ccncc3)cs2)c(O)c1 815593369 KLMGHNXQMMKPTM-INIZCTEOSA-N 367.518 4.811 10 50 FJCA O=C(O)c1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1 59267150 AOWWBFQCNXXGFN-KEYYUXOJSA-N 370.246 4.974 10 50 FJCA O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(Br)cc1 1096292 HMZXHGRXGNBHAD-UHFFFAOYSA-N 370.246 4.924 10 50 FJCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(O)cc3)c(O)c2n1 19973544 RRIODFGQKSZHSE-FQEVSTJZSA-N 357.413 4.551 10 50 FJCA CCCCOc1ccccc1/C=C1\SC(=S)N(Cc2ccco2)C1=O 16213039 DFFQTVXLXJIETG-ATVHPVEESA-N 373.499 4.860 10 50 FJCA Cc1ccnc(N[C@H](c2cc(C)ccc2O)c2ccc3cccnc3c2O)c1 5587788 RLGUWGFDXOZRHK-QFIPXVFZSA-N 371.440 4.859 10 50 FJCA COc1ccc(N2C(=O)/C(=C(\C)c3ccc(F)cc3)SC2=S)cc1 1164544 WEQSVXRJYBVEMW-WJDWOHSUSA-N 359.447 4.630 10 50 FJCA Cc1ccc(C(=O)c2cccc3c2NCc2cc([N+](=O)[O-])ccc2O3)cc1 4054642 GLFOVWWSYWDXLD-UHFFFAOYSA-N 360.369 4.852 10 50 FJCA O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1cc([N+](=O)[O-])ccc1Cl 4812579 UYLVUAIWEURNEG-KPKJPENVSA-N 362.168 4.883 10 50 FJCA CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1sccc1C 4893702 HXIWMXUTKADPCY-VMPITWQZSA-N 372.318 4.558 10 50 FJCA O=Cc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 5016831 GWPWRRRIBRYRJM-OVCLIPMQSA-N 359.859 4.558 10 50 FJCA CCc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 1149110 LCBFQVNAHOJNIE-SFQUDFHCSA-N 355.484 4.663 10 50 FJCA Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccncc1)N2 111441254 CWNXMMXTNMVRQL-JKIFEVAISA-N 374.225 4.513 10 50 FJCA COc1cc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)ccc1C 16676026 JRNKPDVUGVALOO-DHDCSXOGSA-N 371.230 4.747 10 50 FJCA Cc1cnc(C)c(-c2ccc(O)c(CN3CC=C(c4ccccc4)CC3)c2)n1 19836332 CLKNNXJQOKTZNN-UHFFFAOYSA-N 371.484 4.755 10 50 FJCA CCOc1ccc(C2(Cc3ccccc3)C(=O)c3ccccc3C2=O)cc1 974015 RJAWZEOVKZWEIA-UHFFFAOYSA-N 356.421 4.645 10 50 FJCA CCOc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 15010721 POGDQVCQLXZCPU-JXAWBTAJSA-N 369.511 4.529 10 50 FJCA C[C@@H]1C[C@@H](N[C@H](c2ccncc2)c2ccc(F)cc2)c2c(O)ccc(F)c21 1875259805 RAOZVJSFJAZHIB-XJDIIYGHSA-N 366.411 4.993 10 50 FJCA O=C(Cc1ccccc1)N[C@H](c1ccco1)c1c(O)ccc2ccccc12 2873383 PFRWQHNNDMDEFX-HSZRJFAPSA-N 357.409 4.587 10 50 FJCA O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 5448514 DNBJCVYANBEAGR-IIYDPXPESA-N 370.792 4.773 10 50 FJCA CCN(CCc1nccs1)Cc1cc2oc3ccccc3c2cc1O 753981905 KIMGARGNBGOZKW-UHFFFAOYSA-N 352.459 4.813 10 50 FJCA Oc1ccc(Br)cc1CNc1ccc(Br)cc1 2570911 AKFAJHDKJVODAV-UHFFFAOYSA-N 357.045 4.529 10 50 FJCA Cc1cc(C)cc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)c1 95871140 VQQWLGXUKLPWJQ-FMQUCBEESA-N 356.403 4.824 10 50 FJCA O=C(O)CCc1ccc(-c2ccccc2)n1-c1cccc(Br)c1 2254437 LWSFZCLSZJHKSI-UHFFFAOYSA-N 370.246 4.924 10 50 FJCA O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccccc2O)C1 12755606 FRZPVUVHBAIXLY-INIZCTEOSA-N 363.379 4.506 10 50 FJCA CN1/C(=C2\SC(=S)N(C3CCCCC3)C2=O)Sc2ccccc21 13163159 DSOSXGYTLASZAR-JQIJEIRASA-N 362.545 4.591 10 50 FJCA COc1ccccc1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O 1742332 XLOJBQWXFZCHGP-OQLLNIDSSA-N 361.875 4.754 10 50 FJCA CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)NC3=O)c2C)cc1 2805743 RIFGVOXEWGBOIC-LDADJPATSA-N 354.475 4.761 10 50 FJCA Ic1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccncc1)N2 4757801 CWNXMMXTNMVRQL-CPUCHLNUSA-N 374.225 4.513 10 50 FJCA O=C1c2ccccc2C(=O)c2c1ccc(C(Cl)(Cl)Cl)c2Cl 5379215 RGEFYEWPBSAGJU-UHFFFAOYSA-N 360.023 4.942 10 50 FJCA Cc1nn(-c2cccc(C(=O)O)c2)c(C)c1N=Nc1cccc([N+](=O)[O-])c1 244724244 MQMXDHMZUKAINM-UHFFFAOYSA-N 365.349 4.511 10 50 FJCA Cc1ccc(Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1 1318589 VJUKWPOWHJITTP-UHFFFAOYSA-N 366.420 4.802 10 50 FJCA biogenic CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=S)NC3=O)c2C)cc1 2777320 XXMWAOVVCGWZMF-LDADJPATSA-N 370.543 4.926 10 50 FJCA Cc1oc2c(CN3CCC(C)CC3)c(O)ccc2c(=O)c1-c1ccccc1 20357629 LOBYIKIHFGNGQX-UHFFFAOYSA-N 363.457 4.706 10 50 FJCA biogenic COc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c1 1214973 PHMMQLBTGFQORG-DHDCSXOGSA-N 361.875 4.754 10 50 FJCA O=S(=O)(Nc1cc(Cl)c(O)c2ccccc12)c1ccc(Cl)cc1 1234495 ADDAZRPOZJHNIE-UHFFFAOYSA-N 368.241 4.653 10 50 FJCA Cc1c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc2n1C 1152090 KQJCZSBJACLFDI-LDADJPATSA-N 364.495 4.893 10 50 FJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4321243 ZVADUHWSMMXPBN-HLIPFELVSA-N 364.401 4.598 10 50 FJCA O=C(O)c1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc1 4675228 AOWWBFQCNXXGFN-VBQJREDUSA-N 370.246 4.974 10 50 FJCA Cc1cccc(N[C@H](c2cccc(O)c2)c2ccc3ccc(C)nc3c2O)n1 4755321 TWSPOEIUAJSFOV-OAQYLSRUSA-N 371.440 4.859 10 50 FJCA Cc1c([C@@H](C)NCc2cc(Cl)ccc2O)cnn1-c1cccc(F)c1 12386989 VSSMZQQKGDUHPV-GFCCVEGCSA-N 359.832 4.530 10 50 FJCA COc1ccc(C2=C/C(=C\c3cccc4ccccc34)C(=O)O2)c(OC)c1 4472059 MBIKNOMCWDNIBJ-SFQUDFHCSA-N 358.393 4.838 10 50 FJCA Oc1ccc(-c2cccnc2)cc1CNCc1ccc(C(F)(F)F)cc1 299764670 BWLZIIGDVWGWRK-UHFFFAOYSA-N 358.363 4.763 10 50 FJCA CCCNCc1c(O)c(CCC)cc2c(-c3ccccc3)cc(=O)oc12 823009653 UFHBLIHRMPQBDQ-UHFFFAOYSA-N 351.446 4.618 10 50 FJCA Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 6727250 CFRHLUTVPLEIPB-KEYYUXOJSA-N 374.225 4.513 10 50 FJCA CCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)cc1OCC 671862 GGFSGFXLBWWTRO-UYRXBGFRSA-N 364.445 4.599 10 50 FJCA Cc1ccccc1N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1159514 WUGMEJWCDQFQJT-YVLHZVERSA-N 350.468 4.882 10 50 FJCA CCn1c(/N=N/c2c(C)nn3c4ccccc4n(C)c23)nc2ccccc21 3876628 XNBKOVTTZZXNCA-GHVJWSGMSA-N 357.421 4.919 10 50 FJCA O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 13382258 VRRGUXZKRFEHEL-SDQBBNPISA-N 356.255 4.742 10 50 FJCA O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1Cc1ccco1 1136021 CKMQWIMDMZEMLE-BOPFTXTBSA-N 367.451 4.941 10 50 FJCA COc1ccc2c(c1)c(=O)oc1cc(OCc3ccccc3OC)ccc12 1155998 FSSIZKNGQRONSG-UHFFFAOYSA-N 362.381 4.542 10 50 FJCA biogenic Cc1cc(C)c(N2C(=O)N=C(O)/C(=C/c3c[nH]c4ccccc34)C2=O)c(C)c1 19335049 SKHVIMDLZHYGLA-YVLHZVERSA-N 373.412 4.600 10 50 FJCA COc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1 2748421 JOTLZXXJNMZTPK-NRFANRHFSA-N 371.440 4.854 10 50 FJCA COc1ccc(C2=C/C(=C/c3cccn3-c3ccccc3F)C(=O)O2)cc1 1158897 LLKADIQREOUIOX-SSZFMOIBSA-N 361.372 4.606 10 50 FJCA CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 13809958 JRNJJWILRZCZEE-ATVHPVEESA-N 355.484 4.800 10 50 FJCA C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1189713 JEKGLNUTGNXJHY-IEMQHYRPSA-N 370.455 4.557 10 50 FJCA N=C1/C(=C/c2ccc(Cl)cc2)C(=O)N=C2SC=C(c3ccccc3)N12 13810333 YRWBEOKFXKGHPA-SRRKIXIOSA-N 365.845 4.644 10 50 FJCA COc1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1OC 1187221 OOKFRASIHFMNAG-UHFFFAOYSA-N 359.429 4.655 10 50 FJCA CCN(CC)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 2878994 PJNTWVJZMHVYBD-AQTBWJFISA-N 354.837 4.531 10 50 FJCA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(Cl)cc1Cl 15930669 RFZYRNACYBNLHT-ZROIWOOFSA-N 364.207 4.851 10 50 FJCA CN(c1ccccc1)c1ccc([C@@H]2NN=C(c3ccccc3O)S2)cc1 2917675 NJAMCVKCVAOGMK-HXUWFJFHSA-N 361.470 4.857 10 50 FJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 169682612 ZVADUHWSMMXPBN-FUHIMQAGSA-N 364.401 4.598 10 50 FJCA CCCC(=O)C[C@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O 3122335 PLDPHTMAWFAERU-GOSISDBHSA-N 354.833 4.586 10 50 FJCA CCCCCCc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O 20267424 VRRZFJQVIUOAJH-UHFFFAOYSA-N 351.874 4.645 10 50 FJCA CCN1C(=O)/C(=C\c2cccc(OCc3cccc(C)c3)c2)SC1=S 4754735 ZJGDPAIKRTWSSJ-LDADJPATSA-N 369.511 4.795 10 50 FJCA CCCCCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=S 5867314 SVUZJWPCROAHCW-SAPNQHFASA-N 362.564 4.924 10 50 FJCA O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1C1CCCCC1 16430320 VEAZVPGBVXUNDT-FLIBITNWSA-N 372.309 4.576 10 50 FJCA CCc1cccc2c(/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)c[nH]c12 20232626 RVFINPOBCYQZLQ-WQRHYEAKSA-N 373.412 4.545 10 50 FJCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(C)c3O)c(O)c2n1 22257373 UPJMHROHJZXDCK-OAQYLSRUSA-N 371.440 4.859 10 50 FJCA Oc1ccccc1CN1CCC(c2cc(-c3ccccc3Cl)[nH]n2)CC1 67514724 RZGAZBHAQHITCW-UHFFFAOYSA-N 367.880 4.815 10 50 FJCA CCOC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N 1472210 FIIQBNRDZWSSDL-UHFFFAOYSA-N 366.364 4.741 10 50 FJCA CCOc1cc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)ccc1O 5018665 JPMAMSDWSBRQSN-ODLFYWEKSA-N 358.393 4.925 10 50 FJCA CCCCCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 6308539 UAAMYIDJNKYITJ-ATVHPVEESA-N 359.516 4.787 10 50 FJCA COc1ccc(O)c(CN2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)c1 12448016 BRZQDXACIVPZKL-FQEVSTJZSA-N 354.494 4.601 10 50 FJCA Cc1c(/C=C2\SC(=O)NC2=O)cc(-c2ccccc2)n1-c1ccccc1 13810036 QWNAQKLDILSDII-UYRXBGFRSA-N 360.438 4.777 10 50 FJCA CCCCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S 1823118 HAWIOOWCUQUZJX-KAECEXQPSA-N 359.516 4.785 10 50 FJCA O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O 4248201 XQYPHLFUMWMKKC-CQSZACIVSA-N 354.456 4.507 10 50 FJCA Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(N)cc3)c(F)c2F)cc1 1044108 OLYSJNQUDPLGNG-UHFFFAOYSA-N 364.298 4.992 10 50 FJCA CCCc1c(O)c(O)c(C(=O)O)c2cc(Cc3ccccc3)c(C)cc12 13435956 LVPYVYFMCKYFCZ-UHFFFAOYSA-N 350.414 4.801 10 50 FJCA in-vitro O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H]([C@@H]1CC=CCC1)N3C[C@@H]1CC=C[C@H]21 239173774 OQKYDKPTHDBTBU-NJRUTVADSA-N 373.496 5.263 10 50 FJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 4132389 SGPUZLGKSHUKSR-TXPKVOOTSA-N 354.381 4.959 10 50 FJCA O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccco1 975223 ZNSHRBUPIOTBFI-QPEQYQDCSA-N 370.282 4.988 10 50 FJCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H]([C@@H]1CC=CCC1)N3C[C@H]1CC=C[C@@H]21 239173776 OQKYDKPTHDBTBU-SVGJDLCKSA-N 373.496 5.263 10 50 FJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 15218397 GFCBETYWCBBXBH-TYILLQQXSA-N 354.381 4.959 10 50 FJCA O=[N+]([O-])c1cc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)ccc1Cl 4623292 MTRIRLRIALPODE-UHFFFAOYSA-N 366.764 4.756 10 50 FJCA COc1ccc2c(c1)c(=O)oc1cc(OCc3ccccc3F)ccc12 1148022 NTKFHNPKURANPU-UHFFFAOYSA-N 350.345 4.673 10 50 FJCA CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OC(=O)c1ccco1 1167714 UZOMATGYPGLUAF-UHFFFAOYSA-N 360.365 4.835 10 50 FJCA COC(=O)c1ccc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)cc1 653746 XSJWODIJFJCQLZ-MTJSOVHGSA-N 370.404 4.916 10 50 FJCA Cc1ccc(C)c(N2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)c1 55292277 WFPMUKHDXCXTNT-UHFFFAOYSA-N 365.304 4.638 10 50 FJCA Cc1nc(N)sc1-c1csc(Nc2cccc(Br)c2)n1 1123247 HBTUEFXUOXNPNC-UHFFFAOYSA-N 367.297 4.663 10 50 FJCA O=C1/C(=C\Nc2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 100329288 BOYNNPDUKHAALX-UVTDQMKNSA-N 365.742 4.601 10 50 FJCA CN=c1[nH]c(-c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)cs1 1875390433 PRWOSHKYEIGQRF-UHFFFAOYSA-N 367.396 4.580 10 50 FJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 15218399 GFCBETYWCBBXBH-LPMFXHHGSA-N 354.381 4.959 10 50 FJCA CCN(CC)c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)c(O)c1 756613 DYQQJWZFKGHJAE-UHFFFAOYSA-N 354.469 4.667 10 50 FJCA COc1ccc(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 55542943 DIILKHWGBIHPMD-UHFFFAOYSA-N 358.485 4.684 10 50 FJCA O=c1oc2c(CN3CCCCC3)c(O)ccc2cc1-c1ccc(Cl)cc1 4538796 NVLFIZICCOJKDR-UHFFFAOYSA-N 369.848 4.805 10 50 FJCA CCN1C(=O)/C(=C\c2ccccc2OCc2cccc(C)c2)SC1=S 4725664 DFUUKXWGKNTZOR-LDADJPATSA-N 369.511 4.795 10 50 FJCA COc1ccccc1/C=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C 33334297 MVPCIULKZVILGF-NTEUORMPSA-N 361.228 4.808 10 50 FJCA O=c1cc(-c2ccccc2)c2cc(Cl)c(O)c(CN3CCCCC3)c2o1 19789549 YMWDQZYSJHHBAA-UHFFFAOYSA-N 369.848 4.805 10 50 FJCA COc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1089944 QUJCAVCRFIZXIQ-GDNBJRDFSA-N 361.875 4.754 10 50 FJCA COc1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1C 15011121 FFKQEEDQVHFQSA-ATVHPVEESA-N 361.532 4.785 10 50 FJCA CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)cc2)SC1=S 4754744 RXNLINOXAWGYOO-LDADJPATSA-N 369.511 4.795 10 50 FJCA O=C1c2ccccc2C(=O)C1[C@H](c1ccccc1)c1c[nH]c2ccccc12 139185869 IKTFEADDZGDEOS-OAQYLSRUSA-N 351.405 4.995 10 50 FJCA O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(Br)o1 5060831 MHEHQOMUPNFVBB-JXMROGBWSA-N 351.583 4.677 10 50 FJCA Cc1cnc(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)nc1 808021868 DTNBSFKDQPWKRD-UHFFFAOYSA-N 364.396 4.503 10 50 FJCA CSc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 16192937 VKNGWLVDVSLAOI-GDNBJRDFSA-N 361.488 4.953 10 50 FJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21 4182484 GFCBETYWCBBXBH-NJSLBKSFSA-N 354.381 4.959 10 50 FJCA Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2 4757797 CWNXMMXTNMVRQL-KEYYUXOJSA-N 374.225 4.513 10 50 FJCA CC(C)(C)CC(C)(C)c1cc(Cn2ccnc2)c(O)c(Cn2ccnc2)c1 210526771 PCIJWPBOCDNTJF-UHFFFAOYSA-N 366.509 4.596 10 50 FJCA in-vitro CC[C@H](NCN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1 334161062 RWKVFAYAMOMCCB-XIDKLXSXSA-N 368.527 4.586 10 50 FJCA COc1ccc([C@H](Nc2ccccn2)c2c(O)ccc3ncccc23)cc1 4841958 RGZLLMZYKBBZCE-QFIPXVFZSA-N 357.413 4.546 10 50 FJCA CN(C)c1ccc([C@@H]2N=C(c3ccccc3)[C@H]3[C@@H](c4ccccc4)N23)cc1 25763161 RSXWXEAYFFVBFX-XCBKLIHMSA-N 353.469 4.680 10 50 FJCA COc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 4755067 AHNAFZFKKQYFAI-OAQYLSRUSA-N 371.440 4.854 10 50 FJCA CC(C)c1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1 1166198 XAQCLJPLLCJTSC-YVLHZVERSA-N 354.500 4.606 10 50 FJCA COc1cccc(/C=C2\SC(Nc3ccc(C)c(Cl)c3)=NC2=O)c1 1200839 QSWWJQGGAHLMCH-SXGWCWSVSA-N 358.850 4.739 10 50 FJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 4132394 SGPUZLGKSHUKSR-FRQCXROJSA-N 354.381 4.959 10 50 FJCA O=C1c2ccccc2C(=O)C1(Nc1ccc(F)c(Cl)c1)c1ccccc1 1430207 JDUNQFDFSPPWTR-UHFFFAOYSA-N 365.791 4.866 10 50 FJCA CCc1cc(O)ccc1NS(=O)(=O)c1cc2cc(Cl)ccc2s1 790411984 XXEIULQWWBTDSZ-UHFFFAOYSA-N 367.879 4.624 10 50 FJCA COc1cccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1 1220204 REYZEKSSUXNJJR-DHDCSXOGSA-N 361.875 4.754 10 50 FJCA O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccc(F)cc1 19618547 BNBFXQVJCSLQHX-SXGWCWSVSA-N 354.431 4.713 10 50 FJCA O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)cc1 4859398 MULMJULXBQRDJB-FQEVSTJZSA-N 359.385 4.656 10 50 FJCA CCN(CC)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 4981005 CYEKFUILCJPNQQ-UHFFFAOYSA-N 357.929 4.508 10 50 FJCA COc1cccc(C(=O)N[C@@H](c2ccco2)c2c(O)ccc3ccccc23)c1 2921381 DRYCUTSMNDEOLV-QFIPXVFZSA-N 373.408 4.666 10 50 FJCA CCOC(=O)C1C(=O)c2c(-c3ccccc3)ccc(-c3ccccc3)c2C1=O 101014763 SFKNUDIRNCERSL-UHFFFAOYSA-N 370.404 4.579 10 50 FJCA Oc1ccccc1CN1CCC[C@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1 15004932 LUOHCYIGBGDRMZ-KRWDZBQOSA-N 367.880 4.815 10 50 FJCA CN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12 19792790 NROHXHKICKNGSJ-UHFFFAOYSA-N 371.436 4.798 10 50 FJCA biogenic CCc1cc(O)ccc1NS(=O)(=O)c1csc2ccc(Cl)cc12 790417102 HLIRXRXFKUXEOX-UHFFFAOYSA-N 367.879 4.624 10 50 FJCA CC1=NN(c2ccccc2)C(=O)/C1=C1\NC2(CCCCC2)Cc2ccccc21 100079312 KXLYJYPXXUNFES-DQRAZIAOSA-N 371.484 4.669 10 50 FJCA O=C1c2ccccc2-c2onc3ccc(Nc4cccc([N+](=O)[O-])c4)c1c23 8656548 RVRQMSRMIWJIDY-UHFFFAOYSA-N 357.325 4.691 10 50 FJCA CC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1O 869270 IPSGXKAFCLXWMU-IBGZPJMESA-N 368.864 4.943 10 50 FJCA CCOc1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc1 22033771 FGBUZJJANXVQKO-PTNGSMBKSA-N 371.230 4.829 10 50 FJCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Br)s1 4476978 HIDZXXJVKOAMQW-ZROIWOOFSA-N 361.264 4.625 10 50 FJCA Fc1ccc([C@H](CCNCc2ccc3c(c2)CCO3)c2ccco2)cc1 952990101 VRFORGZOQAWOAB-FQEVSTJZSA-N 351.421 4.665 10 50 FJCA COc1ccc(O)c(CN2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)c1 12448015 BRZQDXACIVPZKL-HXUWFJFHSA-N 354.494 4.601 10 50 FJCA Cc1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1 15011172 PMABSZIDNYUZLY-JXAWBTAJSA-N 353.512 4.829 10 50 FJCA Cc1cc(O)ccc1NS(=O)(=O)c1c(C)sc2ccc(Cl)cc12 753982518 QKMSCVPSPXKXQF-UHFFFAOYSA-N 367.879 4.678 10 50 FJCA CC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1O 869271 IPSGXKAFCLXWMU-LJQANCHMSA-N 368.864 4.943 10 50 FJCA CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCC(C)C)SC1=S 6950814 BMLPKQZQZJSBQC-ZSOIEALJSA-N 355.912 4.596 10 50 FJCA O=C(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccco1 639091 UYBMDRQAISRBHF-UHFFFAOYSA-N 366.756 4.926 10 50 FJCA CCOc1ccc(C2=C/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)O2)cc1 1170697 FHHVINDEWKAHFE-ZROIWOOFSA-N 371.776 4.628 10 50 FJCA CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1 759121 GZMPNHKAUIATSS-UHFFFAOYSA-N 357.413 4.813 10 50 FJCA CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1O 13686818 GPLMPXKTYHYDIB-BOPFTXTBSA-N 371.483 4.505 10 50 FJCA COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1 33345499 UPZIWFXWERLAOH-OQLLNIDSSA-N 361.228 4.808 10 50 FJCA Cc1ccc(C)c(NC(=O)c2ccc3c4c(onc24)-c2ccccc2C3=O)c1 1243361 SQLLXDNECKSAME-UHFFFAOYSA-N 368.392 4.908 10 50 FJCA COc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1 2748422 JOTLZXXJNMZTPK-OAQYLSRUSA-N 371.440 4.854 10 50 FJCA CCOC(=O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21 16426075 IUCIOCQDDTVZBC-LPMFXHHGSA-N 364.401 4.598 10 50 FJCA CC(C)CN(Cc1c(O)ccc2c1oc(=O)c1ccccc12)CC(C)C 947045 HMJVHHJDGRQYBJ-UHFFFAOYSA-N 353.462 4.766 10 50 FJCA Cc1cc2c(n1Cc1ccccc1)C(=O)c1ccc(Br)cc1-2 755723 PQHGRJUSLLMWIR-UHFFFAOYSA-N 352.231 4.819 10 50 FJCA COc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 1188661 GOCZXAJNMYUCPE-YVLHZVERSA-N 366.467 4.582 10 50 FJCA COc1ccc(OC)c(-c2ccc(O)c(CNCc3ccccc3F)c2)c1 299767392 GKRJGHIAKJWSGD-UHFFFAOYSA-N 367.420 4.505 10 50 FJCA Cc1cccc(N[C@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)n1 684054 RHGXWTHRAGRGPU-NRFANRHFSA-N 356.429 4.549 10 50 FJCA CCCCC1=NN2C(=N)/C(=C/c3cccc4ccccc34)C(=O)N=C2S1 4725355 AKGBELXHDHGSEW-MWSJVPHRSA-N 362.458 4.649 10 50 FJCA COc1cccc(CNc2ccc3c(c2)ncn3-c2ccccc2)c1OC 1168024 QJSXSQKGPONJPX-UHFFFAOYSA-N 359.429 4.655 10 50 FJCA Oc1ccc2ccccc2c1CN1CCN(c2ccc(Cl)cc2)CC1 16662962 GOUOPWWIKQAKMS-UHFFFAOYSA-N 352.865 4.521 10 50 FJCA CCN(CC)c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 4980680 DXZDUMHXLVHLPE-UHFFFAOYSA-N 357.929 4.508 10 50 FJCA Cc1c(/N=N/c2c(N)ccc3ccccc23)c(=O)n(-c2ccccc2)n1C 71766938 QRNUTQXODFUDLG-WCWDXBQESA-N 357.417 4.635 10 50 FJCA O=C1c2ccccc2C(=O)N1CNc1ccc(/N=N\c2ccccc2)cc1 100496448 IZJPUCRRPQZSPY-VHXPQNKSSA-N 356.385 4.768 10 50 FJCA COc1ccc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)cc1OC 4613960 PEGCLENXHALNQV-NDENLUEZSA-N 372.424 4.663 10 50 FJCA Cc1cccc(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)n1 4123957 QFWYBZBGLVKJGT-HXUWFJFHSA-N 359.404 4.984 10 50 FJCA COc1ccc2c(c1)c(=O)oc1cc(O[C@@H](C)C(=O)c3ccccc3)ccc12 1184528 USICUHWHVDTWQF-AWEZNQCLSA-N 374.392 4.605 10 50 FJCA CCCCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2C)SC1=S 4048198 CWRYZCCXQKCSEM-WYMLVPIESA-N 370.952 4.711 10 50 FJCA C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(C2CCCC2)C1=O 16225690 LLQWTVMUCUAURZ-ZSAINHDTSA-N 357.500 4.538 10 50 FJCA COc1cccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)c1 1220197 KFGNTJLDZTZTSC-MFOYZWKCSA-N 366.467 4.582 10 50 FJCA COc1ccccc1[C@@H](CCNCc1ccc(N(C)C)cc1)c1ccco1 2295997 DBNUVWKNEQGXHU-OAQYLSRUSA-N 364.489 4.666 10 50 FJCA O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccccc2O)C1 12755601 FRZPVUVHBAIXLY-MRXNPFEDSA-N 363.379 4.506 10 50 FJCA Cc1cccc(N[C@@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)n1 684055 RHGXWTHRAGRGPU-OAQYLSRUSA-N 356.429 4.549 10 50 FJCA O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)c(Cl)c1 1423377 PESNNCVAABKVAI-UHFFFAOYSA-N 366.764 4.756 10 50 FJCA COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 1058874 PSVJHVCUQCUABD-BOPFTXTBSA-N 355.484 4.718 10 50 FJCA O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O 1564959 HCOZRFYGIFMIEX-UHFFFAOYSA-N 358.434 4.665 10 50 FJCA endogenous,in-man CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(Cl)cc1 12410892 GTLHJYGKTXZALM-ATVHPVEESA-N 357.816 4.978 10 50 FJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 169362992 XPWBIFYCUFEFIV-IIDMSEBBSA-N 370.246 4.974 10 50 FJCA biogenic Fc1ccc([C@@H](CCNCc2ccc3c(c2)CCO3)c2ccco2)cc1 952990116 VRFORGZOQAWOAB-HXUWFJFHSA-N 351.421 4.665 10 50 FJCA COc1ccccc1[C@@H](NC(=O)CC(C)C)c1c(O)ccc2ccccc12 801046 CBBSORRBPCXQGU-HSZRJFAPSA-N 363.457 4.806 10 50 FJCA CCCC(=O)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1O 3894240 OWOWQMUMYCQXBI-IBGZPJMESA-N 354.837 4.600 10 50 FJCA biogenic CCCOc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 16713505 DNYVDTTWYJOSKB-AQTBWJFISA-N 369.511 4.877 10 50 FJCA O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1Cc1ccco1 1141604 GGMBCNYHBKCXJL-UHFFFAOYSA-N 374.234 4.576 10 50 FJCA CCCCOc1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1 2307562 LJEKYTLXAFQBFR-OBGWFSINSA-N 358.507 4.712 10 50 FJCA CN(C)c1ccc(CNCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 3999286 WMBFSYYWMFHWBX-DEOSSOPVSA-N 366.549 4.759 10 50 FJCA biogenic CC(=C\c1ccco1)/C=C1/SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 4819668 WXUIIYFQFZUPTF-UMPOCWKLSA-N 372.427 4.540 10 50 FJCA O=[N+]([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@H]1CC=C[C@H]21 239377478 NZIKPNVRKKMIOU-WCDSQHRASA-N 370.452 5.489 10 50 FJCA COc1ccccc1[C@H](CCNCc1ccc(N(C)C)cc1)c1ccco1 2295996 DBNUVWKNEQGXHU-NRFANRHFSA-N 364.489 4.666 10 50 FJCA Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)c(C)c1 972017 HUKBNTCGEZRIAK-UHFFFAOYSA-N 361.850 4.616 10 50 FJCA CCc1cccc(C)c1N1C(=O)/C(=C/c2ccccc2OC)SC1=S 1136265 CGJIWENJJQUZEF-ATVHPVEESA-N 369.511 4.972 10 50 FJCA Nc1nc(-c2ccccc2)c(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 18204381 IQJGFLOTELSUCB-VHEBQXMUSA-N 370.350 4.624 10 50 FJCA CCCCn1c(C)c(C(=O)OCC)c2c(CN3CCCCC3)c(O)ccc21 2994065 XWXJRRBEWXZTBJ-UHFFFAOYSA-N 372.509 4.618 10 50 FJCA Oc1ccc2ccccc2c1[C@H](c1ccccc1)n1nnc2ccccc21 5487501 LIODSMBZOBJAEC-QHCPKHFHSA-N 351.409 4.928 10 50 FJCA CN(C)c1cc(Nc2ccccc2)c2c3c(onc13)-c1ccccc1C2=O 1193085 BDHMNJJBDXDEEU-UHFFFAOYSA-N 355.397 4.849 10 50 FJCA O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccccc1O 4248200 XQYPHLFUMWMKKC-AWEZNQCLSA-N 354.456 4.507 10 50 FJCA CCN1C(=O)/C(=C\c2cccc(OCc3ccc(C)cc3)c2)SC1=S 4754460 RWIOLKWLMUYXOZ-LDADJPATSA-N 369.511 4.795 10 50 FJCA Oc1c([C@H](Nc2ccccn2)c2cccnc2)cc(Cl)c2cccnc12 19849858 ZQQXRNUVLBLBNW-GOSISDBHSA-N 362.820 4.585 10 50 FJCA O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1c1cccc(O)c1 1208858 BBHBFXJJJCJOPY-WQRHYEAKSA-N 363.463 4.951 10 50 FJCA O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2ccccc2c1 879753 OEXMVPQZPJUYJS-UHFFFAOYSA-N 368.241 4.653 10 50 FJCA Oc1ccc2ccccc2c1CN1CCN(c2cccc(Cl)c2)CC1 19633155 ZGPGDESXGVOIKM-UHFFFAOYSA-N 352.865 4.521 10 50 FJCA CN(C)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@H](c4ccccc4)N23)cc1 230133735 RSXWXEAYFFVBFX-JZWOWXHXSA-N 353.469 4.680 10 50 FJCA Cc1cccc(N[C@@H](c2ccccc2F)c2ccc3cccnc3c2O)n1 4123982 NFLUORGVNBEVNW-NRFANRHFSA-N 359.404 4.984 10 50 FJCA CC(C)c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 4892633 OCPALZCYPFQOPQ-UHFFFAOYSA-N 369.420 4.838 10 50 FJCA COc1ccccc1N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 33324095 BCTRHWYEJXXTFR-UVZCHINQSA-N 353.468 4.657 10 50 FJCA Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 990553 VSUMPIGUSOJOIT-UHFFFAOYSA-N 367.832 4.787 10 50 FJCA Oc1cc2c(cc1[C@@H](c1ccc(Cl)c(Cl)c1)N1CCCC1)OCO2 5890823 PALXEUVWNGHGKV-GOSISDBHSA-N 366.244 4.613 10 50 FJCA CCCCC(=O)C[C@@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O 2300374 MCFQDZAPFYTQPH-IBGZPJMESA-N 368.860 4.976 10 50 FJCA Cc1ccc(-c2ccc(/C=C3\SC(N4CCCCC4)=NC3=O)o2)cc1 1180962 MIYLCWBQJKOIQE-AQTBWJFISA-N 352.459 4.711 10 50 FJCA Cc1cccc(N[C@H](c2ccccc2F)c2ccc3cccnc3c2O)n1 4123983 NFLUORGVNBEVNW-OAQYLSRUSA-N 359.404 4.984 10 50 FJCA Cc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)c(C)c1 1192933 PTAQQPKIKQCTMI-YBEGLDIGSA-N 370.455 4.617 10 50 FJCA COc1ccc2c(c1)S[C@H](c1ccccc1F)CCN2Cc1ncc[nH]1 12151175 KYFZRBCWCHREJN-SFHVURJKSA-N 369.465 4.801 10 50 FJCA C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(C2CCCCC2)C1=O 13564274 KRRRLZIWNFUAFE-CYUIRQCWSA-N 371.527 4.928 10 50 FJCA Cc1ccc(C(=O)c2ccccc2NC(=S)NCc2ccccc2)cc1 2849288 XBGXPUYOMYOIFW-UHFFFAOYSA-N 360.482 4.713 10 50 FJCA CCCCCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)SC1=S 5502015 BDGWCBAPHJOVPY-FOWTUZBSSA-N 365.520 4.572 10 50 FJCA C[C@@H]1C[C@@H](N[C@@H](c2ccncc2)c2ccc(F)cc2)c2c(O)ccc(F)c21 1875259803 RAOZVJSFJAZHIB-FIRDEBMASA-N 366.411 4.993 10 50 FJCA COc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 4477974 UVQZFAOEBQYORN-XNTDXEJSSA-N 361.875 4.754 10 50 FJCA O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cccc(C(=O)O)c1 4151211 XZVAOSAVKPUMQO-UHFFFAOYSA-N 369.804 4.513 10 50 FJCA CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(C)cc1 22023057 YXTVESSRDBHXJS-ZHZULCJRSA-N 361.441 4.571 10 50 FJCA COc1ccccc1N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1136101 RVENLOQVQPPPSV-YVLHZVERSA-N 366.467 4.582 10 50 FJCA CCN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)SC1=S 1162048 CHCGVIDUCSKQCG-BOPFTXTBSA-N 373.474 4.626 10 50 FJCA Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1-c1ccc(Cl)cc1 5255234 YYGHREHMWUMBEF-UHFFFAOYSA-N 369.848 4.723 10 50 FJCA biogenic COc1ccc(/C=C2/C=C(c3cccc4ccccc34)OC2=O)c(OC)c1 19894545 VFWJJOITYFFVSO-ATVHPVEESA-N 358.393 4.838 10 50 FJCA CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3C)c2)SC1=S 4725670 RLSJBENAHRZOQZ-LDADJPATSA-N 369.511 4.795 10 50 FJCA O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 15684471 DNBJCVYANBEAGR-PBFPGSCMSA-N 370.792 4.773 10 50 FJCA COc1cc(C)c(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1C(C)C 15011093 HQAZGOZJRZFXTG-MFOYZWKCSA-N 363.548 4.984 10 50 FJCA O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccc(Cl)cc1Cl 1160408 PBYILAXBJAJOJL-QPEQYQDCSA-N 367.282 4.794 10 50 FJCA CCOC(=O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 1461901 IUCIOCQDDTVZBC-TYILLQQXSA-N 364.401 4.598 10 50 FJCA CCOC(=O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4181562 SZAVPYCBCXMPCA-TXPKVOOTSA-N 364.401 4.598 10 50 FJCA CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C)cc2)SC1=S 4754612 YROXYAPNLYYHAQ-LDADJPATSA-N 369.511 4.795 10 50 FJCA CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(O)c(OC)c1 16225411 ZGQLWGLSYOHELM-GDNBJRDFSA-N 370.836 4.641 10 50 FJCA O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(O)cc1 1217544 RJSRAXNTPSBJMT-JYRVWZFOSA-N 365.241 4.781 10 50 FJCA CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1ccc(N(C)C)cc1 4794183 DVNDQUVSWMTEFV-YBEGLDIGSA-N 374.271 4.866 10 50 FJCA CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12 19866582 CKOMMXJXPJPPKZ-QGZVFWFLSA-N 363.457 4.930 10 50 FJCA biogenic C=CC(=O)OCCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 25759477 MOUZYIAKMYUILJ-QZQOTICOSA-N 368.393 4.566 10 50 FJCA CCCCn1c(NCc2cc(Br)ccc2O)nc2ccccc21 13536184 JKAWNZMERHJFSN-UHFFFAOYSA-N 374.282 4.917 10 50 FJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 49047950 GHLCBQZUTBKNAD-RVKKMQEKSA-N 370.246 4.974 10 50 FJCA C/C(=C1/SC(=S)N(c2cccc(O)c2)C1=O)c1ccc(Cl)cc1 1164217 SMNJPNOHFZOMDR-GDNBJRDFSA-N 361.875 4.842 10 50 FJCA CN(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 12039544 DASLOOOYNFKLOY-VWNXMTODSA-N 369.468 4.995 10 50 FJCA COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(C)cc1 14009495 DBOUYURYPXYFBD-VBKFSLOCSA-N 367.832 4.526 10 50 FJCA CN1C(=O)/C(=C/c2cc(/N=N/c3ccccc3)ccc2O)SC1=S 5008585 QVELRKGNIMJGHK-PXJVAEEZSA-N 355.444 4.639 10 50 FJCA CCN1/C(=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)C=Cc2ccccc21 100487271 MGCRARUFNYZJCW-VXPUYCOJSA-N 363.848 4.870 10 50 FJCA O=C(O)c1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc1 12468422 AOWWBFQCNXXGFN-CPUCHLNUSA-N 370.246 4.974 10 50 FJCA O=S(=O)(O)c1ccc(/N=N/c2ccc(NCc3ccccc3)cc2)cc1 4521204 RCJKNYGVAFFIEC-QURGRASLSA-N 367.430 4.961 10 50 FJCA in-vitro COC(=O)c1ccc2c(c1C)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 16293242 QTGKOXFXCBBNSZ-MBOZVWFJSA-N 364.401 4.516 10 50 FJCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(O)c3)c(O)c2n1 4123981 XNVKOJUDUHKCBK-FQEVSTJZSA-N 357.413 4.551 10 50 FJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 229941163 XPWBIFYCUFEFIV-RKVPGOIHSA-N 370.246 4.974 10 50 FJCA biogenic COc1ccccc1-n1cnc2cc(NCc3ccc(N(C)C)cc3)ccc21 1097816 ZPPFTBLVAQQGMW-UHFFFAOYSA-N 372.472 4.712 10 50 FJCA O=C1NC(=S)S/C1=C/c1ccccc1Sc1ccc(Cl)cc1 1023114 YRZLXCJMKYAYHA-NTEUORMPSA-N 363.916 4.980 10 50 FJCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3ccccc3F)ccc12 1148792 PYXGNDMDRDQNNA-UHFFFAOYSA-N 364.372 4.981 10 50 FJCA O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1C1CCCCC1 2533351 CEVPKBQDNBNKCH-BOPFTXTBSA-N 357.500 4.539 10 50 FJCA O=C(O)c1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 12660249 GHNIMUHUJRZICV-QFSBIZTOSA-N 370.246 4.974 10 50 FJCA biogenic O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCCc1ccccc1 1126122 SOUSVRMGHKJXPO-LGMDPLHJSA-N 357.475 4.660 10 50 FJCA Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 13590157 CVAIRURSIZVEGV-WQRHYEAKSA-N 364.495 4.878 10 50 FJCA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)c3ccc(C)cc3)ccc12 1184576 UTCBTSFJKOPWAA-UHFFFAOYSA-N 374.392 4.525 10 50 FJCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(F)cc3)c(O)c2n1 2977795 LFYIPVBMUBBSDE-FQEVSTJZSA-N 359.404 4.984 10 50 FJCA CCCCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 4927002 DMTWFRLQUBZIES-JLHYYAGUSA-N 370.337 4.841 10 50 FJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 245204246 GHLCBQZUTBKNAD-RKVPGOIHSA-N 370.246 4.974 10 50 FJCA CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 4164788 VMUHMDGSZGRPDO-OAQYLSRUSA-N 371.440 4.936 10 50 FJCA CCOc1ccc([C@H](Nc2ccccn2)c2c(O)ccc3ncccc23)cc1 4840962 YPSLZNUGTACETK-QHCPKHFHSA-N 371.440 4.936 10 50 FJCA Cc1cccc(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)n1 4123956 QFWYBZBGLVKJGT-FQEVSTJZSA-N 359.404 4.984 10 50 FJCA Cc1ccc(C2=C/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C(=O)O2)cc1 5073009 QHYFKHHPHCRQKR-FOWTUZBSSA-N 372.376 4.935 10 50 FJCA COc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(C)cc2)cc1OC 3013734 YJINKGVQYILBIU-UHFFFAOYSA-N 373.456 4.963 10 50 FJCA Cc1ccc(-n2c(C)cc(C(=O)C(F)(F)F)c2C)c2c1CC(C)(C)O2 4054694 NDYLPENUDRORNL-UHFFFAOYSA-N 351.368 4.861 10 50 FJCA OCC1(CCCc2ccccc2)CCN(Cc2cc(Cl)ccc2O)CC1 12467969 MWVIUGDQZUAWEJ-UHFFFAOYSA-N 373.924 4.643 10 50 FJCA COc1ccc(OC)c(-c2ccc(O)c(CN3CCCCCCC3)c2)c1 12213705 PHINHKMJFLDNBT-UHFFFAOYSA-N 355.478 4.843 10 50 FJCA CC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)cc1 1123715 BXCLFCKXLDRSOW-CJLVFECKSA-N 366.420 4.724 10 50 FJCA CC1=CC(C)(C)N(C)c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc21 253495836 SBRBMMCZRPWWOF-UYRXBGFRSA-N 358.441 4.663 10 50 FJCA COc1cc(Br)cc(CNc2ccc(F)c(Cl)c2)c1O 1060499 ABZGHXFSFRIQLQ-UHFFFAOYSA-N 360.610 4.568 10 50 FJCA Cc1cc(C)c(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(C)c1 1772248 FPYAJTIQRDTJMU-UHFFFAOYSA-N 371.436 4.930 10 50 FJCA CCOc1cc2c(cc1OCC)[C@H](c1ccc(N(CC)CC)cc1)NCC2 720435 JEVAYPSUASEISM-QHCPKHFHSA-N 368.521 4.565 10 50 FJCA COc1cccc(COc2ccc3c(c2)oc(=O)c2cc(OC)ccc23)c1 949220 FJHQNMDGELUUIJ-UHFFFAOYSA-N 362.381 4.542 10 50 FJCA biogenic CN(Cc1ccccc1)Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 934318 UJDDXBAHKLXHGZ-UHFFFAOYSA-N 371.436 4.798 10 50 FJCA biogenic COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 4073636 JPOZTFBVRRCSPW-PGMHBOJBSA-N 354.409 4.530 10 50 FJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4321241 ZVADUHWSMMXPBN-UWVAXJGDSA-N 364.401 4.598 10 50 FJCA CN(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4116919 DASLOOOYNFKLOY-UPVQGACJSA-N 369.468 4.995 10 50 FJCA CCOC(=O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 4151356 IUCIOCQDDTVZBC-NJSLBKSFSA-N 364.401 4.598 10 50 FJCA Cc1ccc2cc(C3=C/C(=C/c4ccc5c(c4)OCO5)C(=O)O3)ccc2c1 1201895 LACSJFXSLOCICE-OCKHKDLRSA-N 356.377 4.858 10 50 FJCA O=[N+]([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@@H]1CC=C[C@H]21 239377476 NZIKPNVRKKMIOU-DERWQMDGSA-N 370.452 5.489 10 50 FJCA Cc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3O)C2)cc1 4292050 BFOMBLPFIDOMPL-GOSISDBHSA-N 362.454 4.754 10 50 FJCA C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc21 253496049 ZUTODBBCBVHGNL-JPVKTXQWSA-N 360.457 4.753 10 50 FJCA COc1ccc(OC)c(/C=C2/C=C(c3cccc4ccccc34)OC2=O)c1 1196426 VYTZVCVJJXTBRZ-ATVHPVEESA-N 358.393 4.838 10 50 FJCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 1208111 UFXJYZMPXSUHER-WJDWOHSUSA-N 359.447 4.630 10 50 FJCA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(OCC)cc1 12410894 FLVUYDXZIIHIOO-RGEXLXHISA-N 367.424 4.723 10 50 FJCA COc1ccc(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)cc1 15015959 SJOSVJNUNSAROH-YBEGLDIGSA-N 358.850 4.739 10 50 FJCA Cc1ccccc1NC(=O)c1ccc2c3c(onc13)-c1ccccc1C2=O 1250147 SOZYEMUJSUTZJV-UHFFFAOYSA-N 354.365 4.600 10 50 FJCA Oc1ccccc1CNc1cc(Br)ccc1Br 637692 OTKNPNNNNLRZHA-UHFFFAOYSA-N 357.045 4.529 10 50 FJCA COc1ccc(Cl)cc1-c1nc(-c2ccc(-n3cccc3)cc2)no1 1423362 GKAQWEGSVJOPIX-UHFFFAOYSA-N 351.793 4.856 10 50 FJCA COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2ccc(C)cc2)cc1 22258283 TXBAWADIANIBGE-JWGURIENSA-N 368.436 4.838 10 50 FJCA Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2)cc1 787645 OLGQIMKFXRDERT-RCCKNPSSSA-N 356.400 4.969 10 50 FJCA COc1cccc(C(=O)N[C@H](c2ccco2)c2c(O)ccc3ccccc23)c1 2921382 DRYCUTSMNDEOLV-JOCHJYFZSA-N 373.408 4.666 10 50 FJCA CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(C)s1 15659793 PZWWBSXKCKKCOR-OQLLNIDSSA-N 361.264 4.625 10 50 FJCA COc1ccc(N2COc3ccc4cc(Br)ccc4c3C2)cc1 1178054 XFSBDBIEVKXTPM-UHFFFAOYSA-N 370.246 4.967 10 50 FJCA O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1Cc1ccccc1 1812679 JMDROOXOBUTEMR-YVLHZVERSA-N 350.468 4.569 10 50 FJCA FC(F)(F)Cn1c(-c2ccccc2)cnc1SCc1nccs1 162299510 GJLFZZVHBYMJBF-UHFFFAOYSA-N 355.410 4.861 10 50 FJCA O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(C(=O)O)cc1 4151201 KZAPAOQEQOZXLG-UHFFFAOYSA-N 369.804 4.513 10 50 FJCA C[C@@H](Nc1ccc(I)cc1)c1ccc(Cl)cc1O 2212319 IOYGXNZLQOTVAW-SECBINFHSA-N 373.621 4.823 10 50 FJCA CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NC1CCCCC1 100163400 QCIQKKGGUIEFDE-FYWRMAATSA-N 368.506 4.605 10 50 FJCA COc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1C 1205073 FXHZZCNXFXJKHA-XNTDXEJSSA-N 371.230 4.747 10 50 FJCA CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O 3894236 WUYUBRRFSCEXCC-SFHVURJKSA-N 354.837 4.600 10 50 FJCA CC(=C\c1ccco1)/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 4819708 MUCYJJBNSOFXIU-VMPIADEKSA-N 372.427 4.540 10 50 FJCA Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2 869701 CFRHLUTVPLEIPB-JKIFEVAISA-N 374.225 4.513 10 50 FJCA COc1ccc(CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 1167728 GEQSKEMILHYXER-WCTLISOUSA-N 367.495 4.653 10 50 FJCA CCCCOc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 16115471 MFZOMARKMLBIPL-ATVHPVEESA-N 373.499 4.860 10 50 FJCA CCOC(=O)c1sc2nc(-c3ccccc3)c3c(c2c1N)CCCC3 626145 PTQHWIHEIMMCPR-UHFFFAOYSA-N 352.459 4.601 10 50 FJCA Cn1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21 1204110 NANVUKJYZQSJIV-WOJGMQOQSA-N 364.495 4.580 10 50 FJCA CCCCN1C(=O)/C(=C\C=C\C=C\Nc2ccc(OC)cc2)SC1=S 25757213 BYQIFSQPWWZMGS-UOSRYELYSA-N 374.531 4.721 10 50 FJCA C[C@H](Nc1ccc(I)cc1)c1ccc(Cl)cc1O 2212317 IOYGXNZLQOTVAW-VIFPVBQESA-N 373.621 4.823 10 50 FJCA CN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 3878361 QZKGUNQLVFEEBA-UHFFFAOYSA-N 368.484 4.883 10 50 FJCA in-vivo O=C1c2ccccc2N[C@H](c2ccccc2O)N1c1ccc(Cl)cc1 3904201 VVRJCPKFYWWKJX-IBGZPJMESA-N 350.805 4.817 10 50 FJCA COCc1c(Cl)cccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C 123736298 SQSUQCOWYNTIGT-UHFFFAOYSA-N 369.852 4.541 10 50 FJCA CN(C)c1ccc(/C=C/C(=O)OCc2ccc(Oc3cccnc3)cc2)cc1 2325719757 UOHFTEKDYLSTJF-NTEUORMPSA-N 374.440 4.697 10 50 FJCA CN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 4596658 JLVUTPAUYUHEBS-MDWZMJQESA-N 369.389 4.796 10 50 FJCA O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1Cc2ccccc21 4773817 LBWLABBYYBRELI-KRWDZBQOSA-N 358.397 4.578 10 50 FJCA CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(C)o3)SC2=S)cc1 5214737 VXCPLXWTNUZQLE-SFQUDFHCSA-N 372.515 4.840 10 50 FJCA O=C(O)c1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc1 4675226 AOWWBFQCNXXGFN-ZQIUZPCESA-N 370.246 4.974 10 50 FJCA Cc1ccnc(N[C@@H](c2cc(C)ccc2O)c2ccc3cccnc3c2O)c1 5587786 RLGUWGFDXOZRHK-JOCHJYFZSA-N 371.440 4.859 10 50 FJCA O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1Cc1ccco1 1212751 ZXZZEAJKZYTEKM-BOPFTXTBSA-N 351.452 4.834 10 50 FJCA CSc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc1 218142406 RYXHFAKBNOZKJN-UHFFFAOYSA-N 363.398 4.657 10 50 FJCA Cc1ccnc(N[C@H](c2cccc(C)n2)c2ccc3cccnc3c2O)c1 15015617 IWBUDQDRPGGZSE-NRFANRHFSA-N 356.429 4.549 10 50 FJCA Cc1cc(/C=C2/SC(=N)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 23128345 PCAQESRXUODHNF-GZTJUZNOSA-N 353.491 4.530 10 50 FJCA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(Cl)c1 12406666 LCIPQQBBGVPIKX-ATVHPVEESA-N 369.808 4.835 10 50 FJCA Cn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 1202523 AEJKOWMSMUMHQD-GZTJUZNOSA-N 350.468 4.584 10 50 FJCA CCOc1cccc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c1O 12459426 FVLYQEMLFKRDHT-INIZCTEOSA-N 373.880 4.539 10 50 FJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 13615420 SGPUZLGKSHUKSR-GPMSIDNRSA-N 354.381 4.959 10 50 FJCA CCOc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1 1208726 JQEYBZZDVAOHQJ-WJDWOHSUSA-N 359.447 4.630 10 50 FJCA O=C(Cc1ccccc1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 2870197 VZXZJYDEPXDLNL-RUZDIDTESA-N 367.448 4.994 10 50 FJCA COc1ccc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 12383803 KIAYKWAWZGWBJS-LVLBFHFTSA-N 355.484 4.658 10 50 FJCA COc1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1 15011181 QVHYXIGSRVQQER-JXAWBTAJSA-N 369.511 4.529 10 50 FJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 4182487 GFCBETYWCBBXBH-KSMMKXTCSA-N 354.381 4.959 10 50 FJCA CC(C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 1139470 SIOMMXQUFZFKNO-PDGQHHTCSA-N 369.511 4.875 10 50 FJCA CCCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O 3894237 WUYUBRRFSCEXCC-GOSISDBHSA-N 354.837 4.600 10 50 FJCA COc1ccc2c(c1)S[C@@H](c1ccccc1F)CCN2Cc1ncc[nH]1 12151176 KYFZRBCWCHREJN-GOSISDBHSA-N 369.465 4.801 10 50 FJCA Cc1ccc2c(c1)CN(Cc1ccccc1O)C[C@H](c1ccsc1)O2 19744433 ACLXGULCGUSSCZ-OAQYLSRUSA-N 351.471 4.898 10 50 FJCA O=C(Cc1ccccc1)N[C@@H](c1ccco1)c1c(O)ccc2ccccc12 2873382 PFRWQHNNDMDEFX-QHCPKHFHSA-N 357.409 4.587 10 50 FJCA CCCn1c(NCc2cc(Br)ccc2O)nc2ccccc21 1176519 AYHQUMYYTLJGIJ-UHFFFAOYSA-N 360.255 4.527 10 50 FJCA O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1Cc1ccco1 15015194 PQBMDZAOMRVAJC-QPEQYQDCSA-N 370.282 4.988 10 50 FJCA Ic1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccncc1)N2 1461980 CWNXMMXTNMVRQL-CKEIUWERSA-N 374.225 4.513 10 50 FJCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(C)c3O)c(O)c2n1 22257368 UPJMHROHJZXDCK-NRFANRHFSA-N 371.440 4.859 10 50 FJCA CCN(CC)c1ccc(CN(C(=O)c2cccs2)c2ccccn2)cc1 28289449 ZIBWSNZEYYFYTA-UHFFFAOYSA-N 365.502 4.836 10 50 FJCA CCN(CC)c1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 2356184 UJVQKYIHZHMFIP-AQTBWJFISA-N 354.837 4.531 10 50 FJCA CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12 19866586 CKOMMXJXPJPPKZ-KRWDZBQOSA-N 363.457 4.930 10 50 FJCA biogenic O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 37613809 CFZIVKYCXBJSFO-SOZUMNATSA-N 369.804 4.593 10 50 FJCA CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1O 1776256 NVLVDUNCDWPGEQ-GZTJUZNOSA-N 371.483 4.505 10 50 FJCA CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 15010531 GYTUBZHSIRESSD-RGEXLXHISA-N 366.486 4.769 10 50 FJCA CCCCOC(=O)CCCN1C(=O)S/C(=C\c2ccccc2)C1=S 1800086 KBRRMUYWVJZORO-SQFISAMPSA-N 363.504 4.647 10 50 FJCA CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1ccc(Br)cc1 100365732 IWFKOGRIFMXXKX-LFIBNONCSA-N 372.291 4.968 10 50 FJCA CCCC(=O)N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1O 3894241 OWOWQMUMYCQXBI-LJQANCHMSA-N 354.837 4.600 10 50 FJCA biogenic COc1ccc(/C=C2\C(=O)N(c3cc(Cl)ccc3Cl)N=C2C)cc1 4579153 TTZUFNVPHWXLHE-DHDCSXOGSA-N 361.228 4.808 10 50 FJCA CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1O 12559018 NVLVDUNCDWPGEQ-BOPFTXTBSA-N 371.483 4.505 10 50 FJCA COc1cccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)c1 2978159 ZUWZEUHOMMKNAZ-NRFANRHFSA-N 371.440 4.854 10 50 FJCA COC(=O)c1ccc2c(c1C)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 16293240 QTGKOXFXCBBNSZ-FUHIMQAGSA-N 364.401 4.516 10 50 FJCA Cc1cc(C=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1064962 KNPBFLGBPCWAIR-UHFFFAOYSA-N 352.415 4.966 10 50 FJCA O=c1c(-c2ccc(Cl)cc2)coc2c(CN3CCCCC3)c(O)ccc12 19787209 OYTJCTUKYYQNSY-UHFFFAOYSA-N 369.848 4.805 10 50 FJCA biogenic CCN(CCO)c1ccc(/N=N/c2nc3ccc(OC)cc3s2)cc1 5002671 UDACKEZLXLPHBN-QZQOTICOSA-N 356.451 4.539 10 50 FJCA O=C1c2ccccc2C(=O)C1c1ccc(Br)c2ccccc12 100697810 GLRXUMBYFBHZAH-UHFFFAOYSA-N 351.199 4.765 10 50 FJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 169685488 ZDWQMRJXNDYJAD-MBOZVWFJSA-N 364.401 4.598 10 50 FJCA CC1=NN(c2ccccc2)C(=O)/C1=C(/C)c1ccc(Br)cc1 102300923 MHXFQAMSGUUCNU-ATVHPVEESA-N 355.235 4.645 10 50 FJCA Cc1cc(NC(=O)/C=C/c2ccc(N(C)C)cc2)ccc1Oc1cccnc1 2325719768 CZUWYZHBFYUYFA-MDWZMJQESA-N 373.456 4.900 10 50 FJCA CCCCC(=O)N[C@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O 2816853 QJPPDBAPLCTLOY-LJQANCHMSA-N 368.864 4.990 10 50 FJCA CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2C)SC1=S 4754620 ZTWIAPMMARZYGW-LDADJPATSA-N 369.511 4.795 10 50 FJCA Cc1cccc(N[C@H](c2cccc(C)n2)c2ccc3ccc(C)nc3c2O)n1 1168837 RHYVTSSHEZTLOO-QFIPXVFZSA-N 370.456 4.857 10 50 FJCA CCN(CC)c1ccc(CN(C(=O)c2ccccc2)c2ccccn2)cc1 28289444 DBUPDAPMXFIBOQ-UHFFFAOYSA-N 359.473 4.775 10 50 FJCA COc1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1Cl 1136122 RYDQITCIUSIEKV-JYRVWZFOSA-N 367.904 4.816 10 50 FJCA COc1cccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1 1168796 LRIKTDRCLNJXMA-HXUWFJFHSA-N 357.413 4.546 10 50 FJCA CC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1 1144849 SETYZSTXWKXUAF-UHFFFAOYSA-N 351.377 4.503 10 50 FJCA Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)c(Cl)c2C)cc1 947559 QXIUQMUJGNTHNJ-UHFFFAOYSA-N 353.871 4.587 10 50 FJCA COc1ccc(COc2ccc3c(c2)oc(=O)c2cc(OC)ccc23)cc1 1184530 GUKYSTYUQOGZLC-UHFFFAOYSA-N 362.381 4.542 10 50 FJCA biogenic COc1ccc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 12383802 KIAYKWAWZGWBJS-VLURKWGBSA-N 355.484 4.658 10 50 FJCA CN(C)c1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19300109 PPLTZSDLFYPWIJ-UHFFFAOYSA-N 371.528 4.769 10 50 FJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 1013760 ZDWQMRJXNDYJAD-UWVAXJGDSA-N 364.401 4.598 10 50 FJCA CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1 16676036 FFKFSTSDVXHOIV-ZHZULCJRSA-N 361.441 4.571 10 50 FJCA O=S(=O)(O)c1ccc2c(N=Nc3ccc(Cl)cc3)c(O)ccc2c1 4787799 YHPJLZIPELSPBU-UHFFFAOYSA-N 362.794 4.861 10 50 FJCA Cc1ccc(C)c([C@@H](Nc2ncccn2)c2ccc3cccnc3c2O)c1 4865994 DSBAABFLXWEIFR-FQEVSTJZSA-N 356.429 4.549 10 50 FJCA CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N(C)C)cc1 100289001 XAADXVZYNZMJBP-WOJGMQOQSA-N 373.378 4.578 10 50 FJCA O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccco1 13590952 NUHDKXSRTFZIPF-AWNIVKPZSA-N 370.282 4.988 10 50 FJCA COc1ccc(Cl)cc1Nc1nc(-c2sc(N)nc2C)cs1 888735 GVFQMXWECALIKN-UHFFFAOYSA-N 352.872 4.563 10 50 FJCA O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CCc1ccccc1 1192946 GTLYURSGNWMFMF-VBKFSLOCSA-N 359.903 4.784 10 50 FJCA CCOc1cccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)c1O 12712259 QMHPKDVWTHFUTR-MRXNPFEDSA-N 373.880 4.539 10 50 FJCA O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1cccc2ccccc12 4524127 GHEARDPEFOOOAT-LDADJPATSA-N 363.463 4.951 10 50 FJCA O=C(c1ccc(Cl)cc1)c1coc2ccc(O)c(CN3CCCC3)c12 252501907 ULEYPXIDLAQMSO-UHFFFAOYSA-N 355.821 4.619 10 50 FJCA CCCC(=O)C[C@@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O 3122334 PLDPHTMAWFAERU-SFHVURJKSA-N 354.833 4.586 10 50 FJCA CN(C)CCCn1cnc(-c2ccccc2)c1-c1cccc2c1ccn2C 65527963 MEWQJWNHGOIBKH-UHFFFAOYSA-N 358.489 4.661 10 50 FJCA COc1ccc(OC)c(C2=C/C(=C\c3cccc4ccccc34)C(=O)O2)c1 5018692 KYWUOKPMWCORRU-SFQUDFHCSA-N 358.393 4.838 10 50 FJCA CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 13615417 SGPUZLGKSHUKSR-JTDSTZFVSA-N 354.381 4.959 10 50 FJCA COc1ccc(N2C(=O)/C(=C\C(C)=C\c3ccco3)SC2=S)cc1 4819710 GRYQGCOFNOHNKL-SKZWUVKFSA-N 357.456 4.640 10 50 FJCA CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)coc12 19526429 IRHGBZGOHWRMDW-UHFFFAOYSA-N 357.837 4.661 10 50 FJCA biogenic Cc1ccc(NC2=NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1Cl 1202394 YOMOGSWTWIIMCI-NVNXTCNLSA-N 373.821 4.639 10 50 FJCA CCOC(=O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 15163016 SZAVPYCBCXMPCA-JTDSTZFVSA-N 364.401 4.598 10 50 FJCA COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 1227910 OTTKSYWMZPYUPP-WIXUPIFPSA-N 353.468 4.657 10 50 FJCA CCCCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S 1823116 HAWIOOWCUQUZJX-IGWPVBGESA-N 359.516 4.785 10 50 FJCA O=C(Cc1ccccc1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 2870196 VZXZJYDEPXDLNL-VWLOTQADSA-N 367.448 4.994 10 50 FJCA CC1=NN(c2ccccc2)C(=O)/C1=C(/Nc1ccccc1)c1ccccc1 16694189 OFRORPCBQQSJPG-QURGRASLSA-N 353.425 4.933 10 50 FJCA N=C1/C(=C/c2ccc(Cl)cc2)C(=O)N=C2SC(C3CCCCC3)=NN12 4725122 ZOLPJWPCPMREPG-UKMRQWHXSA-N 372.881 4.539 10 50 FJCA Cc1c(N(C)/N=N/c2ccc3ccccc3c2)c(=O)n(-c2ccccc2)n1C 22203604 QZQTZKTWZOXJAR-WCWDXBQESA-N 371.444 4.773 10 50 FJCA CC1=NN(c2ccccc2)C(=O)/C1=C\C=C1\N(C)c2ccccc2C1(C)C 4713680 VANSFRDHZRBRTF-IVUDTHCKSA-N 357.457 4.647 10 50 FJCA COc1ccccc1[C@H](NC(=O)CC(C)C)c1c(O)ccc2ccccc12 801045 CBBSORRBPCXQGU-QHCPKHFHSA-N 363.457 4.806 10 50 FJCA Cc1ccnc(N[C@@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)c1 1120767 IIWPMNYYCZOWBD-OAQYLSRUSA-N 356.429 4.549 10 50 FJCA O=C(N[C@@H](c1cccs1)c1ccc2cccnc2c1O)C1CCCCC1 869253 JCMVPOVHTZCXCY-LJQANCHMSA-N 366.486 4.788 10 50 FJCA CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccc(O)cc2)C1=O 4853673 KUAYSAMFLPNGLT-QKIOLIMFSA-N 353.468 4.744 10 50 FJCA CN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S 5090978 BYCFNKRHHRPEAR-XYOKQWHBSA-N 367.904 4.915 10 50 FJCA CCN1/C(=C2/SC(=S)N(c3ccccc3)C2=O)C=Cc2ccccc21 100302945 WYWQVJWUZPRDRQ-ISLYRVAYSA-N 364.495 4.816 10 50 FJCA CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(C)cc1C 223248067 UAKLEBLIUWSEPL-BOPFTXTBSA-N 353.853 4.984 10 50 FJCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3F)c(O)c2n1 2502835 ZBSFWMFAUJYPJC-NRFANRHFSA-N 359.404 4.984 10 50 FJCA CCOc1ccc2nc3cc(NCc4ccc(OC)cc4)ccc3c(N)c2c1 4834402 MBYJRMQOVNDORI-UHFFFAOYSA-N 373.456 4.990 10 50 FJCA Cc1nc(N)sc1-c1csc(Nc2ccc(Br)cc2)n1 861838 LGDFXVCBXSORRO-UHFFFAOYSA-N 367.297 4.663 10 50 FJCA COc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccccc2)cc1 1205957 PBHFFPYWIBHTOQ-RCCKNPSSSA-N 372.399 4.669 10 50 FJCA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1c[nH]nc1-c1ccccc1 100072136 XXICKNQYJKLJSE-VCHYOVAHSA-N 362.820 4.536 10 50 FJCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13468081 RWPOVWXRIBRELI-UYRXBGFRSA-N 373.368 4.661 10 50 FJCA Cc1cccc(N2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)c1C 55292239 YKHYCXJLFPDDIW-UHFFFAOYSA-N 365.304 4.638 10 50 FJCA COc1cccc(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)c1 1199420 IZZXBCRUNIXKOU-YBEGLDIGSA-N 358.850 4.739 10 50 FJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4714142 ZDWQMRJXNDYJAD-HLIPFELVSA-N 364.401 4.598 10 50 FJCA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCc1ccccc1Cl 5408316 HYIPAPFZLFYQLP-LGMDPLHJSA-N 371.843 4.656 10 50 FJCA COc1cccc(O)c1CN1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 12449104 ZNLYEXLTPRCWOZ-LJQANCHMSA-N 354.494 4.601 10 50 FJCA C[C@@H]1C[C@H](N[C@@H](c2ccncc2)c2ccc(F)cc2)c2c(O)ccc(F)c21 1875259802 RAOZVJSFJAZHIB-CBJTVTONSA-N 366.411 4.993 10 50 FJCA COc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 4755068 AHNAFZFKKQYFAI-NRFANRHFSA-N 371.440 4.854 10 50 FJCA O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 13371238 FYESFZCNOWKHTA-SDQBBNPISA-N 356.255 4.742 10 50 FJCA O=C1c2ccccc2C(=O)C1C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 100038032 UDHXJZHVNHGCEC-IBGZPJMESA-N 374.823 4.736 10 50 FJCA in-vitro C[C@H](NCc1cccc(OCc2ccccn2)c1)c1ccc(N(C)C)cc1 157505541 SMCBARJSRCXEFR-SFHVURJKSA-N 361.489 4.577 10 50 FJCA Cc1cccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)c1C 1086569 FXPZVMDBSMTSPR-YBEGLDIGSA-N 370.455 4.617 10 50 FJCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 100711474 KTKVCKOQUXUOJZ-QGOAFFKASA-N 373.368 4.661 10 50 FJCA O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc(Cn2ccnc2)c1 740801276 UGERYFHPFNKSAJ-UHFFFAOYSA-N 374.488 4.564 10 50 FJCA CCN(CC)c1ccc(-c2nc3nc(C)c(Br)cc3[nH]2)cc1 3071114 PSGJROZKQJPDGA-UHFFFAOYSA-N 359.271 4.542 10 50 FJCA Cc1nc(N)sc1-c1csc(Nc2ccccc2Br)n1 2860602 IRXCPRJXDOYFTF-UHFFFAOYSA-N 367.297 4.663 10 50 FJCA COc1ccc2c(c1)c(=O)oc1cc(OCc3c(F)cccc3F)ccc12 2855047 BIVWJNNBBPNFRY-UHFFFAOYSA-N 368.335 4.812 10 50 FJCA CC(/C=C1\SC(=S)N(c2cccc(O)c2)C1=O)=C\c1ccccc1 12342802 XHYJCAWXBIWNPV-NEOBQEPSSA-N 353.468 4.744 10 50 FJCA Cc1ncn(-c2ccc([C@@H](C)NCc3c(C)c4ccccc4n3C)cn2)c1C 2325803695 WCAHUNFPTGBSCI-QGZVFWFLSA-N 373.504 4.535 10 50 FJCA COc1ccc(OC)c(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1 643742 VCIOGQOZOQXCOI-UHFFFAOYSA-N 372.446 4.588 10 50 FJCA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCc1ccc(Cl)cc1 96602827 MDYMNDSDUVKULX-QGOAFFKASA-N 371.843 4.656 10 50 FJCA COc1ccc([C@@H](NC(=O)CC(C)C)c2c(O)ccc3ccccc23)cc1 801048 SBEQKDJKIXQPDJ-HSZRJFAPSA-N 363.457 4.806 10 50 FJCA CN(Cc1nccs1)Cc1cc(-c2nc3ccccc3s2)ccc1O 19791291 BNHKGOGLIUSWGE-UHFFFAOYSA-N 367.499 4.757 10 50 FJCA CN1/C(=C2/SC(=S)N(C3CCCCC3)C2=O)Sc2ccccc21 2922945 DSOSXGYTLASZAR-PEZBUJJGSA-N 362.545 4.591 10 50 FJCA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(CC)cc1 12410890 ILXXYKXSISBMCJ-RGEXLXHISA-N 351.425 4.887 10 50 FJCA Cc1cccc(N[C@@H](c2cccc(O)c2)c2ccc3ccc(C)nc3c2O)n1 4755320 TWSPOEIUAJSFOV-NRFANRHFSA-N 371.440 4.859 10 50 FJCA Oc1c(Cl)cc(Cl)cc1CN1CCN(c2cccc(Cl)c2)CC1 55292103 LDXCULSBMPWTTP-UHFFFAOYSA-N 371.695 4.675 10 50 FJCA CCCOc1ccc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 4819518 PTQPBNGQXWMMHI-QGOAFFKASA-N 354.837 4.935 10 50 FJCA CCOc1cc(/C=C2/C=C(c3cccc4ccccc34)OC2=O)ccc1O 16675996 VLYUTIMGWSYXBJ-ATVHPVEESA-N 358.393 4.925 10 50 FJCA CCOc1ccc(-c2nc(NCc3cccc(OC)c3O)sc2C)cc1 1110483 IRICZAWKKIVVMP-UHFFFAOYSA-N 370.474 4.844 10 50 FJCA COc1cccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)c1 4818836 MNSCFUJOYCSJSN-OQLLNIDSSA-N 361.228 4.808 10 50 FJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 169682730 GCMQSOVOYOJAMC-SIFCLUCFSA-N 364.401 4.598 10 50 FJCA COc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 947307 QDQKNQUWCAUUJR-HXUWFJFHSA-N 357.413 4.546 10 50 FJCA CCCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)cc1OC 4614237 IGCWGWHBRWMXGP-UYRXBGFRSA-N 364.445 4.599 10 50 FJCA COC(=O)c1ccc2c(c1C)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4983784 QTGKOXFXCBBNSZ-ABSDTBQOSA-N 364.401 4.516 10 50 FJCA CN(c1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 5102164 VDFYIPCLWGJXIY-RVDMUPIBSA-N 360.891 4.593 10 50 FJCA Cc1nc2cc(-c3sccc3-n3c(C)ccc3C)nn2c(O)c1Cl 5740219 BAROHFNCCDYNLO-UHFFFAOYSA-N 358.854 4.533 10 50 FJCA C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc21 253496048 ZUTODBBCBVHGNL-CCNLRRDASA-N 360.457 4.753 10 50 FJCA COc1cccc(-c2ccc(O)c(CNCc3cccc4ccccc34)c2)n1 12048227 HCYAFYZAKXREHX-UHFFFAOYSA-N 370.452 4.906 10 50 FJCA O=[N+]([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21 239377477 NZIKPNVRKKMIOU-JMQPUURYSA-N 370.452 5.489 10 50 FJCA CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1O 1213504 GPLMPXKTYHYDIB-GZTJUZNOSA-N 371.483 4.505 10 50 FJCA CCCCC(=O)C[C@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O 2300375 MCFQDZAPFYTQPH-LJQANCHMSA-N 368.860 4.976 10 50 FJCA CCCCN1C(=O)/C(=C/C=C2/C=CN(CC)c3ccccc32)SC1=S 2922959 DQNDRISGCIKXMN-UVABGONOSA-N 370.543 4.968 10 50 FJCA C[C@@H](NCc1cccc(OCc2ccccn2)c1)c1ccc(N(C)C)cc1 157505714 SMCBARJSRCXEFR-GOSISDBHSA-N 361.489 4.577 10 50 FJCA COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 1107841 MDRGDRJXXWZXGN-OQLLNIDSSA-N 361.875 4.754 10 50 FJCA CCOC(=O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 4151358 IUCIOCQDDTVZBC-KSMMKXTCSA-N 364.401 4.598 10 50 FJCA O=C(O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 12436996 CUIOJCKYAHLGCJ-CKEIUWERSA-N 370.246 4.974 10 50 FJCA O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 230259575 GHLCBQZUTBKNAD-IIDMSEBBSA-N 370.246 4.974 10 50 FJCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@@H]21 239173773 OQKYDKPTHDBTBU-KULDAHAMSA-N 373.496 5.263 10 50 FJCA CCOC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N 752548 JRWHOUVTUVBFIT-UHFFFAOYSA-N 372.393 4.803 10 50 FJCA CCCCC1=NN2C(=N)/C(=C/c3ccc(C(C)C)cc3)C(=O)N=C2S1 4725419 UVRNWWQJQDAHNO-ZRSPDKKLSA-N 354.479 4.619 10 50 FJCA O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1CCc1ccccc1 33319660 GTLYURSGNWMFMF-FOWTUZBSSA-N 359.903 4.784 10 50 FJCA O=C(NC(=S)c1c(-c2ccccc2)cc2ccccn12)c1ccccc1 1170884 CADXLKQCZSBDHU-UHFFFAOYSA-N 356.450 4.712 10 50 FJCA O=C1c2ccccc2C(=O)C1[C@@H](c1ccccc1)c1c[nH]c2ccccc12 139185759 IKTFEADDZGDEOS-NRFANRHFSA-N 351.405 4.995 10 50 FJCA Oc1ccccc1CN1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 15004930 LUOHCYIGBGDRMZ-QGZVFWFLSA-N 367.880 4.815 10 50 FJCA O=C1c2ccccc2C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)nc21 1620467 BDDRJIAFKGWLMD-UHFFFAOYSA-N 362.388 4.586 10 50 FJCA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/C=C/c1cccc([N+](=O)[O-])c1 100149382 OTPDNMQNSHIBSY-HQLLBZSWSA-N 367.792 4.611 10 50 FJCA COc1ccccc1N1C(=O)/C(=C(\C)c2ccc(F)cc2)SC1=S 1164355 GNCMNVDHFVMSFS-WJDWOHSUSA-N 359.447 4.630 10 50 FJCA Oc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1O 2571104 SGXFBLJFYTVDRW-UHFFFAOYSA-N 352.337 4.984 10 50 FJCA Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2ccccc2)C1=O 13551613 QDDAGACTUDMCAQ-BOPFTXTBSA-N 350.468 4.882 10 50 FJCA COc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)cc2)cc1 860977 NPIICRVNFVQQQJ-UHFFFAOYSA-N 359.429 4.655 10 50 FJCA CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N(C)C)cc1 4455702 NUTLMJLASDJYQK-MHWRWJLKSA-N 374.271 4.866 10 50 FJCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H]([C@@H]1CC=CCC1)N3C[C@H]1CC=C[C@H]21 239173775 OQKYDKPTHDBTBU-PEDFBKSJSA-N 373.496 5.263 10 50 FJCA O=C(O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 4714148 CUIOJCKYAHLGCJ-JJRVBVJISA-N 370.246 4.974 10 50 FJCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 5050255 GCMQSOVOYOJAMC-STXHMFSFSA-N 364.401 4.598 10 50 FJCA O=C(O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 4714146 CUIOJCKYAHLGCJ-GRDNDAEWSA-N 370.246 4.974 10 50 FJCA CCOC(=O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 15163019 SZAVPYCBCXMPCA-GPMSIDNRSA-N 364.401 4.598 10 50 FJCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(O)c3)c(O)c2n1 4123980 XNVKOJUDUHKCBK-HXUWFJFHSA-N 357.413 4.551 10 50 FJCA CN(C)c1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 15767602 RGQTUMLFOYEJRU-VKAVYKQESA-N 367.452 4.622 10 50 FJCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(O)cc3)c(O)c2n1 19973545 RRIODFGQKSZHSE-HXUWFJFHSA-N 357.413 4.551 10 50 FJCA COc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1 947306 QDQKNQUWCAUUJR-FQEVSTJZSA-N 357.413 4.546 10 50 FJCA