smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#CC1=C(N)N2CCN3C(N)=C(C#N)C1(c1ccccc1)C23c1ccccc1 1092793 GBDWIENVDYYIFR-UHFFFAOYSA-N 366.428 1.810 50 40 FDGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1cccc2ccccc12 409370040 JWJHCGGQRYGBQO-DICRZQGBSA-N 366.373 1.645 50 40 FDGB CCOC(=O)COc1cc(/C=N\NC(=O)c2cccnc2)ccc1OC 30962158 VSERPEFXMBZAQR-JMIUGGIZSA-N 357.366 1.796 50 40 FDGB COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1OC 3530091 WMPQZYDORSIKFK-UHFFFAOYSA-N 358.350 1.322 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(OC)ccc2OC)cc1 59515476 RFOQAKDPCUVTNB-YBFXNURJSA-N 357.366 1.801 50 40 FDGB N#CC1(C#N)[C@H](c2ccccc2)[C@@H](Br)[C@]2(O)C[C@]1(C#N)C(=O)N2 100721802 RZIYULXBHNHLCK-UNIGVISCSA-N 371.194 1.299 50 40 FDGB Cc1ccc(F)cc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 8778449 QXJOMRNZKYWMFT-UHFFFAOYSA-N 364.402 1.502 50 40 FDGB CCOc1c(I)cc(/C=N/NC(N)=O)cc1OC 13747692 RYEKDOLEKGVFOO-MKMNVTDBSA-N 363.155 1.701 50 40 FDGB CSc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1 16248769 CGMGERZWPNAINM-MNOVXSKESA-N 355.890 1.091 50 40 FDGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(I)cc1 4830257 HYBJHPUBTJVLLF-DHZHZOJOSA-N 370.146 1.773 50 40 FDGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 12880701 ZEOXOLZEUAPOBY-UHFFFAOYSA-N 362.407 1.698 50 40 FDGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccccn1 3084952 VKRSOZQIFFOKOI-DJKKODMXSA-N 361.199 1.724 50 40 FDGB COc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc(OC)c1OC 59459709 HBFGNPBEAFZINY-XDHOZWIPSA-N 363.414 1.565 50 40 FDGB COc1ccccc1NCC(=O)NNC(=O)c1ccc([N+](=O)[O-])c(C)c1 12533357 KRZKWYSROOAGGA-UHFFFAOYSA-N 358.354 1.785 50 40 FDGB CC(C)C[C@H](C(=O)NNC(=O)c1ccco1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102020632 TUYCZHYQKWRYTJ-MELADBBJSA-N 373.409 1.407 50 40 FDGB CCCc1noc(CCC(=O)NNC(=O)c2ccc3ccccc3n2)n1 30575627 NRNGTVSDTXRFBI-UHFFFAOYSA-N 353.382 1.964 50 40 FDGB CCOc1ccc2ccccc2c1C(=O)NNc1cc(=O)n(C)c(=O)n1C 2706522 RBGGKYOJXBOBTJ-UHFFFAOYSA-N 368.393 1.393 50 40 FDGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3F)C2=O)cc1 102304156 CVKFMPBNCOSSBE-HNNXBMFYSA-N 357.341 1.401 50 40 FDGB CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(O)c2)s1 59498811 OBZZRFFOIVEFBL-RQZCQDPDSA-N 361.427 1.921 50 40 FDGB COc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 27638773 QWKYLTZYOPMBDG-UHFFFAOYSA-N 361.785 1.540 50 40 FDGB COc1cc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)ccc1O 408974304 YUJJGFAIWJFUAF-XYHOIZSOSA-N 367.405 1.867 50 40 FDGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 409370662 SWDXLSUVMOCKFR-RKLWJJNISA-N 371.393 1.319 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1ccc(F)cc1 20211813 IOTJXVFSYUAANH-VCHYOVAHSA-N 350.375 1.137 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)c2nonc2N)cc1Br 809036 XEYALCGTUZQHRL-GIDUJCDVSA-N 353.180 1.244 50 40 FDGB N#C/C(=C\c1cn[nH]c1-c1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 8738069 VBAFMJVCBNIWTM-NRUITVPNSA-N 356.407 1.287 50 40 FDGB CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O 7928255 CSYXOHPJPXSSLP-OAHLLOKOSA-N 367.405 1.899 50 40 FDGB CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)Cc2ccc(OC)cc2)C1 32765702 HNWUJHLMVNMARM-AWEZNQCLSA-N 363.414 1.254 50 40 FDGB O=C(COc1ccc2oc3ccccc3c2c1)NNC(=O)C(=O)NC1CC1 11683795 RCPVJRYUSHOYAQ-UHFFFAOYSA-N 367.361 1.391 50 40 FDGB COC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)CC(=O)N1 708579 MXKNDCIRPMZSFG-LLVKDONJSA-N 362.407 1.949 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 104684767 JVDXMMHVGVLLNX-FLIBITNWSA-N 370.192 1.592 50 40 FDGB COc1cccc(/C=N/NC(=O)CNC(=O)/C=C/c2ccccc2)c1O 2229242 VQRRSATXHPCJII-CHBUXZQWSA-N 353.378 1.681 50 40 FDGB O=C(NNC(=O)c1cccnc1)c1ccc(I)cc1 3071271 CFSLECIETLLPIH-UHFFFAOYSA-N 367.146 1.761 50 40 FDGB COc1ccccc1C(=O)NCCC(=O)NNC(=O)c1ccc(C)cc1 10109349 RMRNRQOHPYNRIQ-UHFFFAOYSA-N 355.394 1.585 50 40 FDGB O=C(CCNC(=O)NCc1ccccc1)NNC(=O)c1ccc(F)cc1 9952982 UGQJBSZFDSMAQJ-UHFFFAOYSA-N 358.373 1.476 50 40 FDGB CCOC(=O)[C@@](C)(NCC(=O)NNC(=O)c1cccc(Cl)c1)C(C)C 72308592 GUCONMMURYGGIM-KRWDZBQOSA-N 369.849 1.668 50 40 FDGB CC(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](CO)NC(=O)C(Cl)Cl 5438193 WEYAPUCXWINQDH-GHMZBOCLSA-N 365.169 1.480 50 40 FDGB biogenic,in-vitro Cc1csc(CC(=O)NNC(=O)CN2CCc3sccc3[C@@H]2C)n1 57315524 AHVDOFBDGAEUKL-NSHDSACASA-N 364.496 1.822 50 40 FDGB CCOc1ccccc1C(=O)NCC(=O)NNc1ccccc1[N+](=O)[O-] 15503332 XDQVBYSEIXQKKO-UHFFFAOYSA-N 358.354 1.867 50 40 FDGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cnc3nc[nH]c3c2)cc1 89991161 QEADWDTXRPODOH-LLVKDONJSA-N 369.381 1.585 50 40 FDGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1O 408726260 MPDKFAVNDPEZPZ-FPYGCLRLSA-N 358.135 1.788 50 40 FDGB CCOC(=O)C(C#N)=C1S[C@H](C(=O)OCC)[C@@H](C(=O)OCC)S1 18194634 LNYTWDXCBWITNJ-UWVGGRQHSA-N 359.425 1.628 50 40 FDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Nc1ccccc1 9752225 YUGRXVRBXFGZMU-CYBMUJFWSA-N 373.434 1.626 50 40 FDGB Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1 225655453 TVWVBTKSFTUENS-WDTWZTHCSA-N 372.421 1.741 50 40 FDGB COc1ccccc1/C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 19849350 FBARJBSLXDQMSW-JCMHNJIXSA-N 366.465 1.963 50 40 FDGB CCOC(=O)N1CCN(/C=C(/C#N)C(=O)NCCc2ccccc2)CC1 102820840 OXCNNRPTBBZKGA-ICFOKQHNSA-N 356.426 1.527 50 40 FDGB N#C/C(C(=O)COC(=O)c1cc(=O)[nH]c(O)n1)=C1\Nc2ccccc2S1 3332149 XZPUGZBZBQNISA-ZSOIEALJSA-N 370.346 1.154 50 40 FDGB Cc1ccccc1C(=O)N[C@H](C(=O)NNC(=O)c1cccn1C)C(C)C 80295730 XKTNFBBZJHIXRJ-INIZCTEOSA-N 356.426 1.549 50 40 FDGB Cc1occc1C(=O)NNC(=O)c1ccc(OCc2nccn2C)cc1 40119537 XBMSRHMWBCIGBA-UHFFFAOYSA-N 354.366 1.975 50 40 FDGB O=C(NN[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)c1ccccc1 100118412 GWTYOJMWYLQIGY-CQSZACIVSA-N 354.322 1.161 50 40 FDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2)c2ccccc21 100840585 UPINILDLUUAMAU-NKFKGCMQSA-N 364.405 1.694 50 40 FDGB CC(C)n1nc(C(=O)NNC(=O)c2ccncc2)c2ccccc2c1=O 12893327 DSRMKLSIUMARST-UHFFFAOYSA-N 351.366 1.447 50 40 FDGB CCCCC(=O)NN/C(C)=C1/C(=O)N=C(O)N(c2ccc(C)cc2)C1=O 9087699 ROQIQMCPYSXMRQ-QINSGFPZSA-N 358.398 1.867 50 40 FDGB CC(=O)NNC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 12888419 ACYWLZLRRJELSZ-UHFFFAOYSA-N 371.422 1.846 50 40 FDGB Cc1ccc(CN2C[C@H](C(=O)NNC(=O)c3cccs3)CC2=O)cc1 6603032 NWJORINQNDUGLU-CQSZACIVSA-N 357.435 1.866 50 40 FDGB COc1ccc(C(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)cc1OC 15796260 PJBMRDZHHCKWLE-UHFFFAOYSA-N 372.303 1.380 50 40 FDGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(C)cc2)c(=O)c1C#N 98087301 MWMXSKCGPUBHPP-UFFVCSGVSA-N 352.394 1.634 50 40 FDGB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1 5523277 BKHMQVPIQXGNBU-QWHCGFSZSA-N 360.366 1.624 50 40 FDGB N#C/C(=C\c1cccc(Br)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 2697025 LGEOBQMBJJWQAO-VKUYVZBCSA-N 369.240 1.659 50 40 FDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@H]2CC[C@H]1C2 245228743 DSLNZSKLJWYIQW-UZXRRMFESA-N 362.904 1.511 50 40 FDGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c1 6169958 GWGKCVHETPZTBF-VXLYETTFSA-N 358.350 1.931 50 40 FDGB COc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 7379569 BDICNXOSOUAYAV-UHFFFAOYSA-N 352.437 1.869 50 40 FDGB N#CC(C#N)=C(N)/C(C#N)=C/c1cccn1-c1ccc(S(N)(=O)=O)cc1 100605798 VGRTUHIMEMGACH-XYOKQWHBSA-N 364.390 1.292 50 40 FDGB CN1/C(=C(\C#N)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)Nc2ccccc21 102301715 DSBDJCZWMAJCHE-SFQUDFHCSA-N 351.322 1.623 50 40 FDGB O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(O)cc1 2690765 HFSFQXSDUNLACD-UHFFFAOYSA-N 360.351 1.250 50 40 FDGB O=C(COCC(=O)N/N=C\c1cccs1)N/N=C\c1cccs1 4996178 YIVDPJBVBNYJQU-DUGOVBPYSA-N 350.425 1.427 50 40 FDGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(N3CCOCC3)o2)c1 6627510 URFUSZAQMSFDAV-XDHOZWIPSA-N 359.382 1.897 50 40 FDGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1 27017082 CWHUQOISVQPCOM-OBGWFSINSA-N 356.470 1.888 50 40 FDGB COC(=O)CSC1=C(C#N)[C@H](c2ccccc2)[C@H](C(=O)OC)C(=O)N1 105317688 VEBPXCBYUOZINH-KBPBESRZSA-N 360.391 1.331 50 40 FDGB O=CC[C@]12CC(=O)O[C@@H](C1)[C@@H](I)CC21OCCO1 103854101 SQTGZVRXPZKCRG-ATZCPNFKSA-N 366.151 1.218 50 40 FDGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)s1 9331081 IVPHQVUHKLBEPC-OMCISZLKSA-N 360.403 1.490 50 40 FDGB C[C@@H](O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 58882260 DPAWFYCMTRNPNH-STCDJXRXSA-N 355.394 1.213 50 40 FDGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 15900031 MFMVVTHBIVLDOU-LLVKDONJSA-N 363.361 1.873 50 40 FDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 408969818 VCVGLGLBKINHSM-NGZXACEBSA-N 370.203 1.543 50 40 FDGB NC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1cccc([N+](=O)[O-])c1 31912842 HLIFKACIPGFOAF-LVZFUZTISA-N 352.306 1.686 50 40 FDGB N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 3277473 FAAXZDCTJXVPGV-BJMVGYQFSA-N 366.333 1.706 50 40 FDGB N#CC(C#N)=C(C#N)c1sc(N2CCOCC2)cc1N1CCOCC1 59608427 OPCYGKIXSGFEQW-UHFFFAOYSA-N 355.423 1.746 50 40 FDGB Cc1cc(-c2ccc(/C=N/NC(=O)c3nonc3N)o2)ccc1[N+](=O)[O-] 3011759 TUBSXINMPYIIRW-REZTVBANSA-N 356.298 1.892 50 40 FDGB O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccc[n+]([O-])c1 3175569 JDVBKLAEZLUWSV-YBFXNURJSA-N 351.318 1.896 50 40 FDGB COC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 12927541 OCHFLINZRHSZHC-HNNXBMFYSA-N 356.334 1.074 50 40 FDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccnc1 408843058 RCOXUNGFZORAQT-CIAFOILYSA-N 368.393 1.083 50 40 FDGB CCS(=O)(=O)[C@H](I)[C@H](O)c1ccc(N)cc1 96519248 HWHOOFCMGSWJBJ-ZJUUUORDSA-N 355.197 1.498 50 40 FDGB NC(=S)N/N=C1/[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](I)[C@@H]3[C@H]12 261361213 JFMQOXYVKCNNAF-FGIRVMRLSA-N 359.236 1.367 50 40 FDGB Cc1cc(Br)ccc1CC(=O)NNC(=O)[C@H]1CCCOC1 585088503 CKKFGHXHLQQUMV-LBPRGKRZSA-N 355.232 1.874 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 5513724 RXIQXVIIXJLFJF-YBFXNURJSA-N 356.338 1.370 50 40 FDGB O=C(NCc1ccc(-n2ccnc2)nc1)NNC(=O)c1ccc(F)cc1 32802683 XZYIJZQVXDVFJN-UHFFFAOYSA-N 354.345 1.551 50 40 FDGB CN1CCN(CCC(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)CC1 22035963 QMJSQPULTJBCAZ-ODCIPOBUSA-N 364.318 1.470 50 40 FDGB O=C(O)C[C@@H](NNC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 5024460 BWVSAVYSJYJQHU-CQSZACIVSA-N 372.337 1.311 50 40 FDGB CC(C)(C)c1cc([C@H](CC(=O)NN)C(=O)NN)cc(C(C)(C)C)c1O 255188742 LGJROBOUPKRBQX-NSHDSACASA-N 350.463 1.441 50 40 FDGB Cn1cccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccco2)cc1 12697638 KPLXLFKXYBRTAH-UHFFFAOYSA-N 352.350 1.945 50 40 FDGB CCCc1ccc(S(=O)(=O)NNC(=O)Cn2nc(C)cc2C)cc1 12947959 DTPHIEHZHCOVFW-UHFFFAOYSA-N 350.444 1.462 50 40 FDGB COCCNc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1[N+](=O)[O-] 8780514 MEYTUMIDELWVHM-UHFFFAOYSA-N 374.353 1.434 50 40 FDGB C=CCNC(=O)CC(=O)N/N=C/c1cc(Br)ccc1OC 5514057 AXCGQHONJRDBHN-RQZCQDPDSA-N 354.204 1.600 50 40 FDGB O=C(NNC(=O)c1cnc2ccccn2c1=O)c1cc(Cl)ccc1O 32900226 JUQRTFUKRMARNH-UHFFFAOYSA-N 358.741 1.128 50 40 FDGB O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885085 YXLPYFQNXOZGGR-RQZCQDPDSA-N 356.294 1.382 50 40 FDGB COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1cc(F)ccc1F)C(F)(F)F 2769955 OPVRSWJJVWTBBW-KWQFWETISA-N 361.650 1.977 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2sc3nc(C)cc(C)c3c2N)cn1 12536451 VXQVPMSEDOQLBN-UHFFFAOYSA-N 371.422 1.974 50 40 FDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(O)c([N+](=O)[O-])c1 36206864 GHAHCDDAOKDSDD-LZYBPNLTSA-N 360.282 1.738 50 40 FDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-n2cccn2)nc1 13011775 WHBCGUHOHHAQNI-GFCCVEGCSA-N 369.356 1.635 50 40 FDGB O=C(COc1ccccc1Cl)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 5450568 YFTQMDKCXOPTIJ-WDEREUQCSA-N 354.790 1.757 50 40 FDGB O=S1(=O)C[C@H](Cl)[C@H](NS(=O)(=O)Cc2ccccc2Cl)C1 4782924 KXFSWAGUYCTARI-WDEREUQCSA-N 358.268 1.164 50 40 FDGB Cc1cc(/C=C(\C#N)C(=O)NNC(=O)C2CC2)c(C)n1C[C@H]1CCCO1 98042471 RPLKGQHVHQTCGD-JDZKTDJGSA-N 356.426 1.748 50 40 FDGB C/C(=N\NC(=O)CCC(=O)N1CCc2sccc2C1)c1cnccn1 98056255 UIMILTYAMNQBIY-UDWIEESQSA-N 357.439 1.743 50 40 FDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc(O)c2)c1C#N 13282375 YTSNSUSKVMZXIH-AWQFTUOYSA-N 354.366 1.643 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)c1cccnc1 13345646 JFIGTQPDGTUWEO-UHFFFAOYSA-N 355.759 1.057 50 40 FDGB Cc1ccc(C(=O)NNC(=O)C2CCN(c3nccc(C)n3)CC2)cc1 4965944 ABOXIVJJJYRTRZ-UHFFFAOYSA-N 353.426 1.771 50 40 FDGB COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 26741750 ATTHONXGGHWGAN-HNNXBMFYSA-N 367.405 1.818 50 40 FDGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccc(Cl)cc2F)n1 7386850 JYSQMBJRLHPQRM-UHFFFAOYSA-N 360.798 1.302 50 40 FDGB CC(C)C[C@H](C(=O)NNC(=O)c1ccco1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 7785022 TUYCZHYQKWRYTJ-HZSPNIEDSA-N 373.409 1.407 50 40 FDGB O=C(CSC(=S)N1CCCC1)N/N=C/c1ccc(C(=O)O)cc1 7813990 QRKACCLCOZTVRV-CXUHLZMHSA-N 351.453 1.949 50 40 FDGB Cc1cc(C)nc(NNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)n1 14510599 GIZJAMGUOVSMOI-QGZVFWFLSA-N 355.442 1.920 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 59516227 YXMHJNLGKVKIDO-DJKKODMXSA-N 369.333 1.291 50 40 FDGB COc1cc(C(=O)NNC(=O)CCOc2ccccc2)cc(OC)c1OC 2653684 ILKALSIJMVLMQH-UHFFFAOYSA-N 374.393 1.943 50 40 FDGB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@@H]2C1I 100993388 RXRWHNYBBVHTED-NXEZZACHSA-N 367.146 1.270 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)COc2ccccc2OC)cc1 3607195 AEWRWKHBRAQICL-UHFFFAOYSA-N 360.366 1.309 50 40 FDGB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ccccn1 8197655 LZYINUJBPVCYMQ-KRWDZBQOSA-N 368.437 1.996 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCc1ccc(F)cc1 408611072 PUUHRRBFWSZAHB-SSDVNMTOSA-N 373.384 2.000 50 40 FDGB Cc1ccc2c(=O)c(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c[nH]c2n1 40143032 KSNVFJXDGJCEBT-UHFFFAOYSA-N 367.321 1.215 50 40 FDGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 856133 AXPGBHKZNTXMDO-VIFPVBQESA-N 351.149 1.588 50 40 FDGB O=C1NC(=O)N2C[C@H](CI)O[C@H]2[C@H]1c1ccccc1 5395456 PCNIHRSGOXSKJD-NHCYSSNCSA-N 372.162 1.482 50 40 FDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)c1 5513173 QRHYONVXQBIGLQ-VXLYETTFSA-N 373.365 1.507 50 40 FDGB CCCCN1C(=O)/C(=C/NNC(=O)c2ccccc2O)C(O)=NC1=S 4651287 UECABKSVSNISOC-PKNBQFBNSA-N 362.411 1.394 50 40 FDGB Nn1cc(-c2ccccc2)nc1SCC(=O)NNC(=O)c1ccccc1 7989478 PDOVHLHJGDYFGN-UHFFFAOYSA-N 367.434 1.817 50 40 FDGB C[C@H]1CCO[C@H]1C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 95942908 RDCBTOYJFQJSLT-QWHCGFSZSA-N 370.450 1.047 50 40 FDGB Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1CCCl 8704225 OKWFQZHYXWFYOI-UHFFFAOYSA-N 371.828 1.745 50 40 FDGB CCCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccncc3)C2=O)cc1 100093224 QIURZBQRNSDQNO-INIZCTEOSA-N 368.393 1.437 50 40 FDGB O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 4965870 HKNVHXYMYIROKC-UHFFFAOYSA-N 359.817 1.808 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 3092253 GXSNHQZBPNDJID-HMHKGCENSA-N 353.378 1.801 50 40 FDGB CCOc1ncccc1CNC(=O)NNC(=O)c1c(C)nc2ccccn12 12544625 HMKIIHBPWMPOFQ-UHFFFAOYSA-N 368.397 1.581 50 40 FDGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cnc3nc[nH]c3c2)cc1 89991160 QEADWDTXRPODOH-NSHDSACASA-N 369.381 1.585 50 40 FDGB Cc1ccc(CN(CC(=O)NN)S(=O)(=O)c2ccc(Cl)cc2)cc1 408971409 NYAGXNRJPBBXHZ-UHFFFAOYSA-N 367.858 1.829 50 40 FDGB O=C(COc1ccccc1)NCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3108944 YVKTZFOWYSOHLP-VXLYETTFSA-N 356.338 1.240 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 6319871 ZYKCXYPGIVNPHN-CPNJWEJPSA-N 374.466 1.523 50 40 FDGB COc1ccc(CC(=O)N/N=C/c2cc(O)c(O)c(OC)c2)cc1OC 13145315 FVTHWRDIRBFPLL-VXLYETTFSA-N 360.366 1.816 50 40 FDGB COc1cc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)ccc1OCCC(C)C 9388498 NCPLJDJHOFROBZ-UHFFFAOYSA-N 373.409 1.883 50 40 FDGB Cc1cc(NC(=O)[C@H](C)SCC(=O)NNC(=O)c2ccoc2C)no1 16513104 HOGJLFRIEOXQRO-JTQLQIEISA-N 366.399 1.406 50 40 FDGB CC1(C)N(N)C(O)=Cc2c3c(nn21)OC(N)=C(C#N)[C@@H]3c1cccnc1 16605568 LJVQCRQLTXAIDG-ZDUSSCGKSA-N 351.370 1.235 50 40 FDGB CCn1nc(C(=O)NNC(=O)c2ccc(F)c(F)c2)c2ccccc2c1=O 22634539 OQVHLAVGXMDGMR-UHFFFAOYSA-N 372.331 1.769 50 40 FDGB NNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 4301219 ACXXOPXBWJSGGQ-GKMXPDSGSA-N 354.454 1.464 50 40 FDGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1O 18194674 RIPQBCQOPDPEBX-LZYBPNLTSA-N 360.282 1.981 50 40 FDGB Cc1ccc(-c2ccc(/C=N/NC(=O)CN3CCOCC3)o2)c([N+](=O)[O-])c1 408734624 AAVYXXZAOHNDQS-YBFXNURJSA-N 372.381 1.946 50 40 FDGB Cc1cc(C(=O)NNC(=O)[C@H]2CCC(=O)NC2)c(C)n1-c1ccccc1 84081313 STDRQXGWYFAITP-AWEZNQCLSA-N 354.410 1.381 50 40 FDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1OC 5514319 XOZBUVHAOWQMTB-WSDLNYQXSA-N 373.384 1.652 50 40 FDGB COc1ccc(/C=N\NC(=O)CSc2nnnn2-c2ccccc2)cc1 33748512 YZYPRSNWZVQNIB-WQRHYEAKSA-N 368.422 1.913 50 40 FDGB CCCc1c(C(=O)N/N=C/C(C)=C/c2ccco2)nnn1-c1nonc1N 2454250 FRRQUZLALWXYHD-FSTQYXDXSA-N 370.373 1.597 50 40 FDGB CCc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)[nH]1 7604918 BXUSXBYJLQKUCQ-UHFFFAOYSA-N 369.834 1.339 50 40 FDGB O=C(COc1ccccc1[N+](=O)[O-])NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 103248843 TZZPSRPNXCTHOY-SDDRHHMPSA-N 364.427 1.658 50 40 FDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc(OC)c2)c1C#N 823047 MEJJGNUQAUEIIW-UFFVCSGVSA-N 368.393 1.946 50 40 FDGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 59246374 PEQSXJFGPCXPRN-WOJGMQOQSA-N 358.354 1.637 50 40 FDGB CCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 13017533 URGUTMBURYDBDE-UHFFFAOYSA-N 350.382 1.559 50 40 FDGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc3c(c2)OCC(=O)N3)c1 13008258 JTTDNVZNORACQR-UHFFFAOYSA-N 369.377 1.474 50 40 FDGB N#Cc1ccc(OCC(=O)N/N=C/c2ccccc2OCC(=O)O)cc1 3288251 ZONGTONZUPDPKM-KEBDBYFISA-N 353.334 1.551 50 40 FDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2)cc1 59434142 MOKBFNQEFDGXRY-UDWIEESQSA-N 369.377 1.961 50 40 FDGB O=C(CSc1nncs1)NNC(=O)c1ccccc1Br 2658183 IPCODSUTJREKFK-UHFFFAOYSA-N 373.257 1.854 50 40 FDGB O=C(CCN1CCSC1=O)NNC(=O)CN1CCCc2ccccc21 12527365 CHWFKCARHNPLNF-UHFFFAOYSA-N 362.455 1.146 50 40 FDGB CN(C)c1cccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)c1 409104889 KSGLZKHIKBZCBN-ZDLGFXPLSA-N 358.354 1.896 50 40 FDGB CC(=O)c1sc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)nc1C 575421173 IJXRCMCMAJEAGC-SFYZADRCSA-N 351.837 1.180 50 40 FDGB COC(=O)c1ccc([C@H]2[C@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 27130076 YNYGYZVUELWZGF-IRXDYDNUSA-N 359.389 1.486 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 58880720 YKIQGLNIIBBKEP-YBFXNURJSA-N 355.350 1.327 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)N=C(O)N(Cc2ccc(F)cc2)C1=O 2335666 DIUJHKICIBTMSL-LCYFTJDESA-N 362.361 1.303 50 40 FDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2)cc1 5378504 YMOBTKOJPPLUHB-UHFFFAOYSA-N 363.395 1.034 50 40 FDGB O=C(CCl)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 5370532 APNYGQPYBQEIOS-PVKAUPSBSA-N 362.835 1.666 50 40 FDGB COc1ccc(C(=O)NNC(=S)NCc2ccc3c(c2)OCO3)cn1 9691328 DNQAMLAWILUZMI-UHFFFAOYSA-N 360.395 1.128 50 40 FDGB CCCn1nc(C(=O)NNC(=O)C[C@@H]2C=CCC2)c2ccccc2c1=O 8191998 LRFOTCGCLYNSES-CYBMUJFWSA-N 354.410 1.924 50 40 FDGB COc1cccc(OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2C)c1 5724488 MEASWRNAGWVQJI-UHFFFAOYSA-N 359.338 1.752 50 40 FDGB N#CC(=C=N)[C@@H](c1cccnc1)[C@@H](C(N)=O)[n+]1ccc(-c2ccncc2)cc1 33864285 AMKDVFMFMGDZAJ-UXHICEINSA-O 369.408 1.940 50 40 FDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccco2)cc1 6545025 GMLBTXGJDRSPAN-MHWRWJLKSA-N 351.384 1.059 50 40 FDGB O=C(CCN1C(=O)CSc2ccccc21)NNC(=O)c1ccccc1 8350210 MFOFITMBYFZXRO-UHFFFAOYSA-N 355.419 1.977 50 40 FDGB O=C(Nc1ccccc1)c1c(O)n(-c2ccccc2)n[n+]1C[C@H](O)CCl 3765436 ZSXTVZOGLGYIKE-OAHLLOKOSA-O 373.820 1.717 50 40 FDGB CCc1ccc[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2ccncc2)c1 13739398 RMTWZTIAQKIXMI-UHFFFAOYSA-O 354.415 1.434 50 40 FDGB COC(=O)CN1C(=O)/C(=N\NC(=O)c2ccccc2F)c2ccccc21 5793938 DJEITBAXGZDPOS-SILNSSARSA-N 355.325 1.479 50 40 FDGB CCS(=O)(=O)[C@@H](I)C(=O)c1ccc(N)cc1 96517952 BYFWNEUSQSNMOP-SNVBAGLBSA-N 353.181 1.647 50 40 FDGB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=O)c1ccco1 8324469 NLBPFAPBBDKATR-UHFFFAOYSA-N 363.679 1.575 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)Cn2c(=O)cnc3ccccc32)cc1 12851334 RZFVTOCWBISLRP-UHFFFAOYSA-N 366.377 1.256 50 40 FDGB O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1ccc(Br)o1 4651769 BSTGYVZGQCXXRZ-HTQZYQBOSA-N 357.160 1.470 50 40 FDGB CCOc1ccc(C(=O)NN)cc1CN(C)S(=O)(=O)c1ccccc1 224808621 KCSANPKKIZLXQO-UHFFFAOYSA-N 363.439 1.510 50 40 FDGB O=C(NCCO)N/N=C(\CCN1CCCCC1)c1ccc([N+](=O)[O-])o1 4722190 OZLSBGLUOKDLIF-SFQUDFHCSA-N 353.379 1.059 50 40 FDGB COc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 101781632 UPCPAPICDRLJMT-MRXNPFEDSA-N 353.378 1.570 50 40 FDGB COc1cccc(OCC(=O)NNC(=O)c2ccc(OC)cc2OC)c1 722538 YGEBCHXIKHVQFK-UHFFFAOYSA-N 360.366 1.552 50 40 FDGB O=C(N/N=C/c1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 12346413 XUEZABDBCNKJRT-NPRIEWAGSA-N 372.450 1.633 50 40 FDGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)NC[C@H]1CCCO1 3271250 YRHUDLLFKFBBRL-CNTYAEFGSA-N 358.350 1.161 50 40 FDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)COCO2 78964390 LHPXMCIEAGHGOY-MRXNPFEDSA-N 356.334 1.154 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(O)c([N+](=O)[O-])c1 409372393 MVPAZPQNZIWYCO-REZTVBANSA-N 359.294 1.802 50 40 FDGB O=C(CCl)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 3249566 REZHDQABWKAELK-SDQBBNPISA-N 368.798 1.807 50 40 FDGB O=C(CI)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 1700128 WASUAIQTEYKZFA-NSHDSACASA-N 372.162 1.715 50 40 FDGB Cc1ccc(NC(=O)CNNC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 3261833 KLZUEBGSNOOJKC-UHFFFAOYSA-N 373.325 1.685 50 40 FDGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(CO)c2ccccc21 4313848 AGDPHRVCVMRMQC-FQEVSTJZSA-N 365.389 1.588 50 40 FDGB CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)c2ccncc2)c(O)c1 18192921 LBPWVDNMCGFKEI-WSDLNYQXSA-N 369.425 1.514 50 40 FDGB COC(=O)Cn1cc(/C=C(\C#N)C(=O)N2CCOCC2)c2ccccc21 4711048 DJNKLJHRLLEVRG-GXDHUFHOSA-N 353.378 1.580 50 40 FDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Oc1ccccc1 14186720 JQPSVOBRUDJBRL-CYBMUJFWSA-N 374.418 1.675 50 40 FDGB O=C(N/N=C/c1ccccc1C(=O)O)N/N=C/c1ccccc1C(=O)O 5583441 VNRJJJPFHUIBDL-VNIJRHKQSA-N 354.322 1.750 50 40 FDGB Cn1cc(I)c(C(=O)N/N=C/c2ccc(O)cc2)n1 825418 UHKNKIDDBTXVOR-MKMNVTDBSA-N 370.150 1.494 50 40 FDGB O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)c1ccco1 7653517 OOKAJIHOOQQHGG-UHFFFAOYSA-N 351.362 1.553 50 40 FDGB Cc1cccc(N2CCN(CC(=O)NNC(=O)c3cccs3)CC2)c1C 12533656 FANPFLQVIQIZTQ-UHFFFAOYSA-N 372.494 1.948 50 40 FDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C1 13509707 RTUXDMYLNAZMSS-DOTOQJQBSA-N 360.377 1.950 50 40 FDGB O=C(CNC(=O)c1ccco1)NNC(=O)c1ccccc1-n1cccc1 6507323 ASGNAJAGMZDVGH-UHFFFAOYSA-N 352.350 1.261 50 40 FDGB O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1[N+](=O)[O-] 33345758 VTFGKSLITYZLBR-APSNUPSMSA-N 358.266 1.996 50 40 FDGB Cc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 33666885 MFLMDRXEJAFBAS-XDHOZWIPSA-N 359.451 1.907 50 40 FDGB COCCNC(=S)NNC(=O)c1cc2cc(Br)ccc2o1 46584225 MHWQVQONXFUJSI-UHFFFAOYSA-N 372.244 1.951 50 40 FDGB CCOC(=O)C1=C(NC(C)(C)C)OC/C1=N\NC(=O)Cc1ccccc1 17888535 NMNOLMVTRYIUAO-KGENOOAVSA-N 359.426 1.894 50 40 FDGB COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)c1 2651536 KFGJRUNVFSHLRK-UHFFFAOYSA-N 374.393 1.725 50 40 FDGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1C 2789341 ILDDOMJAFVZHTL-BJMQQELFSA-N 372.421 1.741 50 40 FDGB COc1cccc([C@H]2[C@@H]3CN(C(N)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 1827123 ZUPOMIKXLYWMIL-SJORKVTESA-N 374.404 1.499 50 40 FDGB COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2C)c(OC)c1 2051883 PPUHJPKXRRMFOQ-UHFFFAOYSA-N 357.366 1.412 50 40 FDGB CN1C(=O)/C(=N/NC(=O)CCCCC[C@H]2CCNC(=O)N2)c2ccccc21 101655599 HVWANPUFKOSAFS-MIIVRJSTSA-N 371.441 1.505 50 40 FDGB N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)N1CCC(C(N)=O)CC1 97086682 HLDUOIAPSVOTDG-LGMDPLHJSA-N 352.438 1.918 50 40 FDGB O=C1Nc2ccccc2/C1=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8756483 GKABACWNVAEELG-UHFFFAOYSA-N 355.266 1.589 50 40 FDGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccccc1[N+](=O)[O-] 5553082 LKSMTAOWNVQQAI-INIZCTEOSA-N 373.321 1.716 50 40 FDGB NNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 8381318 GEQGERWPCDSWBC-CQSZACIVSA-N 353.831 1.220 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3384556 RPYBUCAXZZLQBY-UHFFFAOYSA-N 352.350 1.017 50 40 FDGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CNC(=O)c2ccccc2)c1C 6983948 KONSAHGZEMRQJO-HNNXBMFYSA-N 369.421 1.648 50 40 FDGB Cc1cc([N+](=O)[O-])nn1CC(=O)NNC(=S)Nc1ccc(F)cc1 8828887 NHAMYHXRNZPFDZ-UHFFFAOYSA-N 352.351 1.257 50 40 FDGB CCOC(=O)[C@](C)(NCC(=O)NNC(=O)c1cccc(Cl)c1)C(C)C 72308591 GUCONMMURYGGIM-QGZVFWFLSA-N 369.849 1.668 50 40 FDGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccc(Br)cc1 3061914 BQXPKRKGNIRRFW-VXLYETTFSA-N 361.199 1.611 50 40 FDGB O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1cccc([N+](=O)[O-])c1O 3060366 SQPVCJUNARTBIN-LZYBPNLTSA-N 360.282 1.738 50 40 FDGB Cc1nn(C)c(C)c1C(=O)NNC(=O)c1cc(Br)cn1C 32904002 HAXQXESERYADJE-UHFFFAOYSA-N 354.208 1.213 50 40 FDGB CCCOc1ccc(CCC(=O)N/N=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 2341536 MOSLLKFVSMRZBZ-YBFXNURJSA-N 358.398 1.243 50 40 FDGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)CCCC2 7810499 ITOIRUKTZBZIFN-UHFFFAOYSA-N 362.389 1.877 50 40 FDGB CC(C)Oc1ccc(C(=O)NCC(=O)NNC(=O)c2ccccc2)cc1 7985419 FOKBRGBJCWXEMV-UHFFFAOYSA-N 355.394 1.665 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 89991085 BPZSYMNSEYHNBC-KRWDZBQOSA-N 361.442 1.490 50 40 FDGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(F)cc2)c(=O)c1C#N 98087305 PPVBZTDGEXMNAH-ZVBGSRNCSA-N 356.357 1.464 50 40 FDGB CN1C(=O)/C(=N/NC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc21 4611033 ZUXUTIKNBFGYSV-XMHGGMMESA-N 367.321 1.030 50 40 FDGB C=CCNc1nc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cs1 7736621 PQOPMUVZGSVBLT-UHFFFAOYSA-N 360.395 1.359 50 40 FDGB CCOC(=O)/C(=C/NNC(=O)c1ccc(Br)cc1)C(C)=O 100205953 OKUFLAPPJCJHCQ-XYOKQWHBSA-N 355.188 1.720 50 40 FDGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2c(F)cccc2Cl)cc1 27595592 PBQMSMXFFXNAMX-UHFFFAOYSA-N 370.789 1.957 50 40 FDGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)cc1 3344508 GGWCLKMUUBHYLC-RGVLZGJSSA-N 370.390 1.753 50 40 FDGB CCCCN1C(=O)/C(=C\NNC(=O)c2ccccc2O)C(O)=NC1=S 38167833 UECABKSVSNISOC-LUAWRHEFSA-N 362.411 1.394 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)c2n[nH]c(=O)c3ccccc23)c1 6509888 ZZZCHRHDWIMFAE-VXLYETTFSA-N 352.350 1.704 50 40 FDGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(COC)c32)c2ccccc21 6733531 NYWKVKJAXAKAJE-IBGZPJMESA-N 363.377 1.461 50 40 FDGB CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccccc1 8992452 IMTFLNJTBAQXGR-JXAWBTAJSA-N 366.421 1.523 50 40 FDGB O=C(CCCC(=O)N/N=C\c1ccccc1O)N/N=C\c1ccccc1O 102815724 RQEQVAALSKEUAT-FDYZEBBJSA-N 368.393 1.869 50 40 FDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccncc1 4116181 VRGAXKTYFVWEAC-AWQFTUOYSA-N 362.353 1.214 50 40 FDGB O=C(NNc1ncnc2c1cnn2-c1ccccc1)[C@H](O)c1ccccc1 5348488 QKJNQWGAQLTZNP-MRXNPFEDSA-N 360.377 1.992 50 40 FDGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2cc([N+](=O)[O-])cn2)c(O)c1 5478061 ROGAABCCQYDIPC-CAOOACKPSA-N 360.374 1.493 50 40 FDGB N#Cc1ccc(OCC(=O)NNC(=O)COc2ccccc2C#N)cc1 15977876 KNZFVAWNRBGNQB-UHFFFAOYSA-N 350.334 1.035 50 40 FDGB O=C(NN/C=C1\C(=O)N(c2ccccc2)C(=O)N=C1O)c1ccccc1O 34236579 BEXMZSSLFMKCLF-RAXLEYEMSA-N 366.333 1.634 50 40 FDGB COc1cccc(/C=N/NC(=O)CNC(=O)/C=C\c2ccccc2)c1O 13687726 VQRRSATXHPCJII-DLNWUCCESA-N 353.378 1.681 50 40 FDGB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NN)c(C)c2)cc1 7361836 AFTJYAHSRPLPMF-UHFFFAOYSA-N 365.411 1.173 50 40 FDGB O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102202558 COYHOSGBUYLGIB-AZHAFVHUSA-N 350.802 1.777 50 40 FDGB CCCCCOC[C@@H]1C[C@](C/C(C)=N/NC(N)=O)(C(=O)OCC)C(=O)O1 4426927 RSCVNKXOCMEVHO-MKOFKROOSA-N 371.434 1.493 50 40 FDGB COC(=O)N/N=C(/c1ccc(O)cc1)[C@H](C)[C@@]1(O)C(=O)Nc2ccccc21 6425496 HJXZINHUQWMPQB-ZONHAXDUSA-N 369.377 1.928 50 40 FDGB COc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1 20210200 HKFFISICBMQYIU-WOJGMQOQSA-N 362.411 1.007 50 40 FDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cccs1 12700057 SUTNYZRANHLEHW-UHFFFAOYSA-N 352.441 1.424 50 40 FDGB Cc1ccc(C(=O)NNC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 8884141 BFRASSWWGMXPJJ-UHFFFAOYSA-N 366.421 1.807 50 40 FDGB COc1ccc(CC(=O)NNC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1 29760597 VLGMUWILYGWHLB-OAHLLOKOSA-N 369.425 1.092 50 40 FDGB Cc1c(C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)sc(N)c1C#N 253482401 NQSDFQPDDORKJC-UHFFFAOYSA-N 373.350 1.911 50 40 FDGB CCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C 17074005 LHGYHPWMVDFRMC-UHFFFAOYSA-N 358.471 1.852 50 40 FDGB Cc1cccc(C2(CNC(=O)NNC(=O)C(=O)NC3CC3)CCCCC2)c1 47084341 JAQLGZWHHXFABV-UHFFFAOYSA-N 372.469 1.806 50 40 FDGB Cc1csc(=O)n1CCCC(=O)NNC(=O)c1cc(Cl)ccc1O 24060177 VMXPKZKFBGOJON-UHFFFAOYSA-N 369.830 1.819 50 40 FDGB Cc1cccc(OCC(=O)NNC(=O)c2cncc(Br)c2)c1 6651713 UFLMZQKAXVARNJ-UHFFFAOYSA-N 364.199 1.993 50 40 FDGB CC[C@@H](C)N1C(=O)/C(=C\NNC(=O)c2ccccc2O)C(O)=NC1=S 38166043 LCPFWZBOJFNRFD-LZUGORFDSA-N 362.411 1.393 50 40 FDGB CC(=O)c1sc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)nc1C 575422026 LUBUJAWUSUVNAT-HTQZYQBOSA-N 367.905 1.345 50 40 FDGB Cc1csc(=O)n1CC(=O)NNC(=O)CSc1ccc(Cl)cc1 15711330 INADRTUIPZHBIC-UHFFFAOYSA-N 371.871 1.811 50 40 FDGB Cc1ccccc1NC(=S)NNC(=O)Cn1ncc2ccccc2c1=O 1422609 WELLXZBBQXKDEK-UHFFFAOYSA-N 367.434 1.723 50 40 FDGB COc1cccc([C@@H]2[C@@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 1251860 ZIUNGNSFWYVVBV-NVXWUHKLSA-N 361.405 1.717 50 40 FDGB COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1[N+](=O)[O-] 3441982 WRFVRGCBHJPUQY-UHFFFAOYSA-N 373.321 1.221 50 40 FDGB COCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 6441115 NACXDLVQKALPPL-CYBMUJFWSA-N 363.414 1.660 50 40 FDGB O=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccc2[nH]cnc2c1 12548072 LSKUEUIVNAANRW-UHFFFAOYSA-N 364.340 1.963 50 40 FDGB COC1=C[C@]2([N+](=O)[O-])CN(CCBr)C[C@@]([N+](=O)[O-])(C1)C2 100095398 OHHBZSHUJCYYTJ-GHMZBOCLSA-N 350.169 1.052 50 40 FDGB C[C@@H](CN1CCOCC1)NC(=O)NNc1ccc(OC(F)(F)F)cc1 46479833 JMYSCBCIMOAFID-NSHDSACASA-N 362.352 1.932 50 40 FDGB O=C(Cn1cnc2ccccc2c1=O)NNC(=S)NCc1ccccc1 3425816 MULAFUPOJNGKAB-UHFFFAOYSA-N 367.434 1.092 50 40 FDGB Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)c1 4392891 SZFGYOAJMHZPPQ-ZIAGYGMSSA-N 368.455 1.043 50 40 FDGB O=C(NNC(=O)c1ccncc1)NC(=O)c1ccc(Br)cc1 1671609 XVHAQVRHHJWIHH-UHFFFAOYSA-N 363.171 1.629 50 40 FDGB C[C@@H]1C[C@H]1C(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 9603092 XOUCJTQQSVWXIK-MLGOLLRUSA-N 362.389 1.803 50 40 FDGB CN(C)c1cccc(C(=O)NNC(=O)c2cn(Cc3ccccc3)nn2)c1 12523063 JJBBTFKIQNUHGQ-UHFFFAOYSA-N 364.409 1.467 50 40 FDGB C=CCc1cc(/C=N\NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc(OC)c1O 409202392 QHINNUNVTWZUKZ-UWVJOHFNSA-N 373.369 1.693 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)COC(=O)c2cccc(O)c2)cc1 14017395 AABUMPPNYUCITQ-UHFFFAOYSA-N 358.350 1.409 50 40 FDGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(N(C)CCO)cc2)c1 6407603 XBGQCIJFEGABJR-DEDYPNTBSA-N 357.410 1.896 50 40 FDGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc2c(c1)OCO2 408602343 BSNIWWDKRLPXJY-CQSZACIVSA-N 370.390 1.973 50 40 FDGB CCCc1noc(CCC(=O)NNC(=O)c2cn(C)c3ccccc23)n1 28442044 XZATULKZYOOSST-UHFFFAOYSA-N 355.398 1.908 50 40 FDGB Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 8238028 NSNGZJNGWYZYCT-UHFFFAOYSA-N 373.434 1.392 50 40 FDGB Cc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)o1 3407465 KEIPQYSDKQBKOY-CMDGGOBGSA-N 373.321 1.514 50 40 FDGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 4591170 QXIRJOAFYIANEX-UFFVCSGVSA-N 369.377 1.233 50 40 FDGB COC(=O)c1cc(C(=O)NNC(=O)c2ccccc2F)cc([N+](=O)[O-])c1 6637800 BMZIGLPPZSHICK-UHFFFAOYSA-N 361.285 1.595 50 40 FDGB CC12CN3CCN(CC(C3)/C1=N\NC(=O)c1cc3ccccc3cc1O)C2 95483277 DFWDZCBGZVTBRL-ZBJSNUHESA-N 364.449 1.899 50 40 FDGB COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1O 2338807 YMGZCMFRFLEGFW-LEKRSAHOSA-N 358.350 1.700 50 40 FDGB COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)NNC(C)=O)n12 928512 QHKSUZSWWHHRQJ-UHFFFAOYSA-N 359.411 1.459 50 40 FDGB O=C(N/N=C/c1cccnc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 6890152 NTGIBAHMWMTGCZ-XSFVSMFZSA-N 372.450 1.633 50 40 FDGB CN(NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1 45007407 JOKKWZCWHCASFH-UHFFFAOYSA-N 350.378 1.426 50 40 FDGB CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C2CC2)cc1 6023139 VIKGTEHHQJIIAV-UHFFFAOYSA-N 362.455 1.717 50 40 FDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccco2)c1-c1cccs1 13805886 DUBWRGGQIACBNZ-FRKPEAEDSA-N 370.354 1.318 50 40 FDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(C)o1 5575834 GURLDHGYGMJDIV-OBTCNRAFSA-N 360.391 1.367 50 40 FDGB CCN(CC)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 6789492 XJCGIWIXUJRIIM-UHFFFAOYSA-N 358.398 1.317 50 40 FDGB O=C(NNC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1)c1cccc(F)n1 1530280089 VMKHUVHAJLCSJO-ZDUSSCGKSA-N 356.357 1.144 50 40 FDGB NC(=S)N/N=C1/[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](I)[C@H]3[C@@H]12 195528932 JFMQOXYVKCNNAF-MWODSXGOSA-N 359.236 1.367 50 40 FDGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2F)cc1 3369389 KGENXPOMLLNCKE-UHFFFAOYSA-N 365.386 1.151 50 40 FDGB O=C1O[C@@H](O)C(C(Br)Br)=C1Br 6072491 FAPCZAUMFXUDMS-SCSAIBSYSA-N 350.788 1.627 50 40 FDGB in-vitro CN(C)CN1C(=O)/C(=N\NC(=O)c2ccc(N(C)C)cc2)c2ccccc21 20215578 JUIFBHQHQXZDDM-UZYVYHOESA-N 365.437 1.752 50 40 FDGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)CC[C@@H]1C(=O)NN=C1C 100334366 BHCITJCRJIVETE-PGQWVYTBSA-N 362.386 1.065 50 40 FDGB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)C3CC3)cc2)cc1 12557085 VEMJPPAHBOTCKI-UHFFFAOYSA-N 373.434 1.967 50 40 FDGB Cc1ccc(C(=O)NNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 3555205 RHBSQTMGPRHTLC-UHFFFAOYSA-N 365.389 1.832 50 40 FDGB CCCCC[C@H](O)CCC(=O)NN[C@H]1CC(=O)N(c2ccccc2)C1=O 4811381 VIMOCJICXMZOBN-HOTGVXAUSA-N 361.442 1.661 50 40 FDGB Cc1c(C(=O)N/N=C\c2ccco2)nn(-c2ccc(F)cc2)c(=O)c1C#N 409062469 VHCKOUFKBGFFOO-FBHDLOMBSA-N 365.324 1.909 50 40 FDGB O=C(N/N=C/c1ccc(CN2CCOCC2)o1)c1cc([N+](=O)[O-])ccc1O 409160771 IYJRXIFWAMMIBD-VCHYOVAHSA-N 374.353 1.490 50 40 FDGB CCCNC(=O)NN(C(=O)NCCC)c1nc(C(=O)OCC)cs1 5243479 RZKYIKDUQFZUIV-UHFFFAOYSA-N 357.436 1.870 50 40 FDGB COc1c(O)ccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] 13596557 JXUZXWITVHQLAM-RQRKTLAASA-N 373.321 1.599 50 40 FDGB O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NN=C1CCCC1 4421192 YYMLZEDIXBXZDX-UHFFFAOYSA-N 354.388 1.309 50 40 FDGB CC1(CC(=O)N/N=C/c2ccc(I)cc2)OCCO1 59502747 AGQPVUOHMJDADG-OQLLNIDSSA-N 374.178 1.894 50 40 FDGB O=C(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)NCCc1ccccc1 59516042 OARMFYQIZDPRLL-DEDYPNTBSA-N 354.366 1.794 50 40 FDGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c1OC 2219742 DKEAZGPEMYUWCB-HNNXBMFYSA-N 353.378 1.929 50 40 FDGB COC(=O)c1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19852143 LLFKOXHWOGDCLT-ZWKOTPCHSA-N 373.416 1.828 50 40 FDGB CCCCCCC(=O)NN/C(C)=C1\C(=O)N=C(O)N(CCCC)C1=O 16955602 OQKHRGJHGGVECQ-WYMLVPIESA-N 352.435 1.935 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccccn2)cc1 101494337 PFYGNFIWJNJZLT-WSDLNYQXSA-N 369.381 1.550 50 40 FDGB CC1CCC(=NNC(=O)C[C@@H]2NC(Cc3ccccc3)=NNC2=O)CC1 820142 NBQKXYMNCHQDEV-VYIIXAMBSA-N 355.442 1.703 50 40 FDGB CC(=O)NNC(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S 5554926 IBKODIMLADFMPH-WDZFZDKYSA-N 353.400 1.194 50 40 FDGB O=C(NNC(=O)c1csc(N2CCOCC2)n1)Nc1ccccc1F 8750622 BCBGGGRNNQKHEZ-UHFFFAOYSA-N 365.390 1.585 50 40 FDGB N#C[C@H](/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1N 68602524 DGRNUFABMULPIR-YISVQYQQSA-N 367.325 1.614 50 40 FDGB O=C(O)C[C@@H](NNC(=O)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1774079 BVACKIMDMGQIHQ-CQSZACIVSA-N 372.337 1.311 50 40 FDGB CC1(CC(=O)N/N=C/c2cc(Br)c(O)cc2O)OCCCO1 408719756 QTDFQCHOBWVVQK-LZYBPNLTSA-N 373.203 1.854 50 40 FDGB Nc1nnc(CC(=O)N/N=C\c2cc(Br)ccc2O)s1 31849052 QEORLJYDSIGZRH-RZNTYIFUSA-N 356.205 1.281 50 40 FDGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 5569659 ZZDGSCKFXOHVPA-AWQFTUOYSA-N 359.769 1.835 50 40 FDGB CC(=O)NNC(=O)CN1CCN(Cc2ccc(-c3ccccc3)s2)CC1 27265598 MERAXLJFTGLWKG-UHFFFAOYSA-N 372.494 1.700 50 40 FDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1OC 59515619 ANGVZILNAJREDX-LPYMAVHISA-N 368.393 1.422 50 40 FDGB COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1O 38164270 XJPXBZZFHKYYHC-IDUWFGFVSA-N 359.294 1.802 50 40 FDGB Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccccc1Cl 9113891 WVUJXQIHQBXGKH-UHFFFAOYSA-N 364.814 1.919 50 40 FDGB NC(=S)N/N=C1\[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]3[C@@H](I)[C@@H]2[C@@H]5[C@H]14 195528933 JFMQOXYVKCNNAF-QMCRSGJYSA-N 359.236 1.367 50 40 FDGB CCNC(=S)NNC(=O)[C@@H](NC(=O)c1ccccc1OCC)C(C)C 2650337 HRKMWQVXXYJAAF-AWEZNQCLSA-N 366.487 1.355 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1 59459772 RUQBJDXVFBGLTK-VCHYOVAHSA-N 372.337 1.701 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)Cc2ccc(Br)cc2)n1 6559205 PQFUNHIAKGZLEC-UHFFFAOYSA-N 365.231 1.653 50 40 FDGB Cc1nn(C)c(C(=O)N/N=C/c2c(C)nn(C)c2F)c1Br 252503234 UZUPNSQLNBIWNB-PJQLUOCWSA-N 357.187 1.436 50 40 FDGB C[C@H]1[C@@H](NNC(N)=O)Oc2cc3c(cc2[C@@H]1c1ccccc1O)OCO3 5956738 ICISIXUOSAGJCL-RSKJOKDDSA-N 357.366 1.780 50 40 FDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(F)c2)cc1 6841724 DOTSGKINPMAHAT-YBFXNURJSA-N 363.414 1.905 50 40 FDGB COc1ccccc1CC(=O)NNS(=O)(=O)c1ccc(Cl)cc1 869544 NMCJALHLDJYXOL-UHFFFAOYSA-N 354.815 1.901 50 40 FDGB COC(=O)N/N=C/c1cc(I)c(O)c(OC)c1 6380691 KKNWMRNSBWFKKR-LFYBBSHMSA-N 350.112 1.695 50 40 FDGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)N1CCCC1 409368496 YWKOLEDNZUNCBM-RVDMUPIBSA-N 356.382 1.961 50 40 FDGB COc1cccc(/C=C(/C#N)C(=O)N2CCOCC2)c1O[C@H](C)C(=O)O 409250133 MKFVJOARGSTEQG-XTCQQWIJSA-N 360.366 1.313 50 40 FDGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(C)cc12 1892164 WFMOHTNBZBXMLW-IBGZPJMESA-N 351.362 1.912 50 40 FDGB C[N+](C)(C)NC(=O)NCCCCCCCCCNC(=O)N[N+](C)(C)C 6469480 WHZWGTBCTIZYQD-UHFFFAOYSA-P 360.547 1.558 50 40 FDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COc1ccccc1C#N 6509526 SBCHUHOEENRXIJ-LBPRGKRZSA-N 357.341 1.691 50 40 FDGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3cccs3)CC2=O)cc1 6603033 NWJORINQNDUGLU-AWEZNQCLSA-N 357.435 1.866 50 40 FDGB COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1OC(F)F 95467129 DGEDWMBJDMLWKH-QMMMGPOBSA-N 365.308 1.631 50 40 FDGB CCOC(=O)/C(C#N)=C/c1cc(C[S@@](=O)c2nnnn2C)cs1 66089502 UYHTWXPJXMYJTC-CRAXIPPQSA-N 351.413 1.049 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)c2nn(C)cc2Br)c1 1089188 OONOILUSIXPTPU-FRKPEAEDSA-N 367.203 1.964 50 40 FDGB O=C(N/N=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1)c1ccncc1 5897393 HQCOTABINBVICM-UFFVCSGVSA-N 360.329 1.989 50 40 FDGB COc1c(O)ccc(/C=N/NC(=O)COc2ccccc2C#N)c1[N+](=O)[O-] 3090544 NFRREMUATQRXGQ-DJKKODMXSA-N 370.321 1.710 50 40 FDGB COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 142838 QQIVJMDYBWFEKB-RYUDHWBXSA-N 350.371 1.112 50 40 FDGB COc1ccc(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1OC 840330 XPVHRVMKKNGYDB-UHFFFAOYSA-N 374.393 1.725 50 40 FDGB COC(=O)C1=C(N)OC(CCl)=C(C(=O)OC)[C@@H]1c1ccc(C#N)cc1 1070169 QPIWGOLAOBFOKZ-LBPRGKRZSA-N 362.769 1.681 50 40 FDGB COc1ccc(-n2ncc3c(SCC(=O)NNC(C)=O)ncnc32)cc1 1346640 NZLHDJYGELOURZ-UHFFFAOYSA-N 372.410 1.084 50 40 FDGB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1ccccc1O 10125695 GAQSYNQHRLTSHK-INIZCTEOSA-N 361.442 1.874 50 40 FDGB CCCCC(=O)NN/C(C)=C1\C(=O)N=C(O)N(c2ccc(OC)cc2)C1=O 9045263 VXXQVAQZWWFTJD-RVDMUPIBSA-N 374.397 1.567 50 40 FDGB Cn1c(N)c(-c2csc(/C(C#N)=C\c3ccco3)n2)c(=O)n(C)c1=O 96920810 VGULTHVBCBHECW-TWGQIWQCSA-N 355.379 1.447 50 40 FDGB Cc1ccc(NCC(=O)NNC(=O)CN(C)[C@H]2CCSC2)c(C)c1 95448824 QIIWGJABAYHHFI-AWEZNQCLSA-N 350.488 1.300 50 40 FDGB Cc1cc(C)c[n+](C2=NC(=O)S/C2=C/NNC(=O)c2ccncc2)c1 38191767 ZFDDBHBINDSEKJ-UHFFFAOYSA-O 354.415 1.875 50 40 FDGB CC(C)(C)OC(=O)[C@H](N)CSSC[C@@H](N)C(=O)OC(C)(C)C 32194403 KVVSTQBOEJNEKY-NXEZZACHSA-N 352.522 1.706 50 40 FDGB Nc1nonc1C(=O)N/N=C\c1ccc(I)cc1 32255506 VJKKMXKQDPKNTO-ACAGNQJTSA-N 357.111 1.020 50 40 FDGB O=C(NNS(=O)(=O)c1ccc2c3c(cccc13)CC2)c1ccncc1 226861170 MGFDYPHLIHZZTF-UHFFFAOYSA-N 353.403 1.957 50 40 FDGB COc1ccc(Br)c(CC(=O)NNC(=O)[C@H]2CCCOC2)c1 585088507 LXDDHLFJGUBRHQ-JTQLQIEISA-N 371.231 1.574 50 40 FDGB C=CCNC(=S)NNC(=O)[C@]1(C)CC1(Br)Br 4907215 HEBLFRUXFFZHPI-QMMMGPOBSA-N 371.098 1.564 50 40 FDGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)CN(C)C(=O)c2ccco2)c1C 37150347 WFKYTDZDAFINBH-CQSZACIVSA-N 373.409 1.583 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1ccccc1Cl 20209273 VNFGUPVVFISZTO-VCHYOVAHSA-N 366.830 1.651 50 40 FDGB CCCCC(=O)NN/C(C)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 5347455 DEOYWUSCNNJEFT-QINSGFPZSA-N 358.398 1.663 50 40 FDGB COC(=O)CCC(=O)NNC(=O)COc1ccc(Br)cc1C 4699725 SUZCWFNAOHPUDU-UHFFFAOYSA-N 373.203 1.237 50 40 FDGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3nonc3N)o2)cc1 408977228 HUCWIKJISJCCCI-DJKKODMXSA-N 369.337 1.852 50 40 FDGB COCC(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(C(F)(F)F)cc21 223745294 SAPQBPCGBXJCRI-MOSHPQCFSA-N 373.356 1.634 50 40 FDGB Cc1cc(O)c(C)c(O)c1/C=N/NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1 974947 LCVZCUCZLPIHDO-BJICABIUSA-N 367.405 1.695 50 40 FDGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCC(=O)O 12419286 IBJPYRATEYKJFS-NTUHNPAUSA-N 356.334 1.975 50 40 FDGB Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)[n+](=O)c2ccccc2n1O 575627309 VIFUEESBBCKGQK-UHFFFAOYSA-O 373.776 1.830 50 40 FDGB CCn1nc(C(=O)NNC(=O)c2c(C)noc2C)c2ccccc2c1=O 14171352 JVZDEVMCUSPSPF-UHFFFAOYSA-N 355.354 1.096 50 40 FDGB C/C(=N\NC(=O)C(=O)N/N=C(\C)c1cccc(O)c1)c1cccc(O)c1 4647034 CRQYGHDOMCMKLL-AYKLPDECSA-N 354.366 1.478 50 40 FDGB CC(/C=C\c1ccccc1)=N\NC(=O)c1c(C)nnn1-c1nonc1N 32109528 VBSIJGNFEUHMPX-QEYLFHHWSA-N 352.358 1.360 50 40 FDGB Cc1cc(C)c[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2ccccc2O)c1 13739244 YYSLZBAWKVXHPN-UHFFFAOYSA-O 369.426 1.799 50 40 FDGB COc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1Cn1cc([N+](=O)[O-])cn1 8951329 ZMMUAAZLUXVYKH-CNHKJKLMSA-N 369.341 1.335 50 40 FDGB CCOC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 6720053 MPSGOQYESWIBJA-HNNXBMFYSA-N 354.366 1.742 50 40 FDGB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 7978051 XNFGEGNJKKURSR-XPWGJAPNSA-N 364.490 1.823 50 40 FDGB NC(=O)N[C@H](CC(=O)NNC(=O)c1ccc2c(c1)CCC2)c1ccccc1 11684798 WPFIYVGCZDKSGN-QGZVFWFLSA-N 366.421 1.736 50 40 FDGB COc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)cc(OC)c1C 6785837 VVDNQGKPXITITR-UHFFFAOYSA-N 362.357 1.991 50 40 FDGB Cc1cccc(N2/C(=N/C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 11907311 YWMKFAULYQZQGO-LQTLPLJTSA-N 358.872 1.835 50 40 FDGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNC1CCCCC1 409377200 GTAKPMWXZAWPHY-UDWIEESQSA-N 358.398 1.979 50 40 FDGB COc1ccc(Br)cc1/C=N/NC(=O)Cc1cc(O)n[nH]1 1477007 IMCJWINXZOPHHQ-VIZOYTHASA-N 353.176 1.579 50 40 FDGB CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)C2CCCC2)cc1 40142928 FFBZLPPPBLEAAH-CYBMUJFWSA-N 361.442 1.930 50 40 FDGB CCn1c(=O)n2n(c1=O)[C@@H]1C=C[C@H]2[C@H](Br)[C@@H]1Br 100693932 BKZJXAPBDSHINK-KVFPUHGPSA-N 365.025 1.024 50 40 FDGB O=C(NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc(F)cc1 13004323 ZPYJLPWEFRBOMD-UHFFFAOYSA-N 366.352 1.557 50 40 FDGB O=C(Cc1ccc(Cl)cc1)NCC(=O)N/N=C1\C(=O)Nc2ccccc21 6133555 ZHHMFXOSVQWYSN-UHFFFAOYSA-N 370.796 1.471 50 40 FDGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccncc1 5390758 MXVOZLKCRVJXQL-XDHOZWIPSA-N 355.354 1.590 50 40 FDGB COC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C[C@H]1[C@@H](Br)[C@H]2Br 4409307 CEKJTNRDLCMPHH-DPCUATEDSA-N 356.010 1.653 50 40 FDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccs3)CC2=O)cc1 28406675 HIWMQRCELAMLMA-LLVKDONJSA-N 359.407 1.571 50 40 FDGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc2c1OCO2 808892 LEMYLEOOQWKHGO-AWEZNQCLSA-N 354.318 1.904 50 40 FDGB COc1ccnc(NNC(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)n1 25124323 IZMMGWWBOJUFKU-UHFFFAOYSA-N 369.425 1.509 50 40 FDGB COc1ccccc1N(CC(=O)N/N=C/c1ccccn1)S(C)(=O)=O 408922820 SQVBLULZYCUYIH-WOJGMQOQSA-N 362.411 1.007 50 40 FDGB CCCc1nnc(S)n1CC(=O)NNC(=O)c1cn(C)c2ccccc12 10736902 INLTUCGYAGXWMH-UHFFFAOYSA-N 372.454 1.472 50 40 FDGB O=C(CCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-])NCc1ccccc1 4656961 GMPBAVYPZPUFDM-UHFFFAOYSA-N 370.365 1.452 50 40 FDGB O=C(N/N=C/c1ccc(F)s1)c1n[nH]cc1I 252483544 FEHYIMLGEZBQSK-KGVSQERTSA-N 364.143 1.979 50 40 FDGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2 100167104 JNWDNRBBPAVRMA-JMSVASOKSA-N 371.466 1.080 50 40 FDGB IC[C@H]1COC[C@H](CI)O1 4722385 UYISQIRJYDOWOR-WDSKDSINSA-N 367.952 1.640 50 40 FDGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccn2)c(C)c1 6607054 JDIRKVUYTPFEEH-RGVLZGJSSA-N 374.466 1.778 50 40 FDGB O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1ccc(Br)o1 4651784 PDMGKIBLBKTJEC-HTQZYQBOSA-N 359.176 1.694 50 40 FDGB C/C(=N/NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccn1 35800000 AVEVDIXLYOYBNN-NVMNQCDNSA-N 352.803 1.536 50 40 FDGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1cccnc1 15085066 ZLPBOPCASMGJGA-SECBINFHSA-N 352.379 1.639 50 40 FDGB COc1cccc([C@H]2[C@@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 1251859 ZIUNGNSFWYVVBV-WBVHZDCISA-N 361.405 1.717 50 40 FDGB N#CCCCN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 6133399 GOMIBROJPFXAOF-VJWQYWRGSA-N 362.389 1.891 50 40 FDGB NC(=O)COc1ccccc1/C=N/NC(=O)COc1ccccc1Cl 4544330 QZQIYFPCFJAEQJ-AWQFTUOYSA-N 361.785 1.733 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1 8878324 SHZDRAUCMCBCEN-UHFFFAOYSA-N 352.350 1.661 50 40 FDGB O=C(NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)c1ccc(Cl)cc1 30672654 GTLYLQCVJYMSHY-UWVGGRQHSA-N 363.723 1.558 50 40 FDGB CC(C)(C)OC(=O)NNc1ccc(C(=O)ON2C(=O)CCC2=O)cn1 2510806 PHWZJVJAIAVOAP-UHFFFAOYSA-N 350.331 1.154 50 40 FDGB Cc1cccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)c1C 408925288 OQTAJIDMDRKZFW-YBFXNURJSA-N 360.439 1.615 50 40 FDGB Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1[N+](=O)[O-] 32118609 OWIDOXSRYSBQKS-UHFFFAOYSA-N 359.367 1.248 50 40 FDGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(OC)c2c1OCO2 15085605 NDWRACJYBKHJRX-GFCCVEGCSA-N 356.338 1.682 50 40 FDGB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1F 6998459 XUBJCFKPUQQNHF-UHFFFAOYSA-N 374.328 1.315 50 40 FDGB NNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 223469592 TYVFLNSLUJYJSX-UHFFFAOYSA-N 351.815 1.695 50 40 FDGB CCS(=O)(=O)[C@H](I)[C@@H](O)c1cccc(N)c1 96519262 YGHPCQOHYSRPQM-UWVGGRQHSA-N 355.197 1.498 50 40 FDGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cc1cccs1 5199542 LGBIALLPXPUCHU-UHFFFAOYSA-N 372.494 1.650 50 40 FDGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)NCc2ccco2)cc1 4610851 VMRXVYJDACLMCY-LPYMAVHISA-N 370.409 1.979 50 40 FDGB CCCCCCC(=O)NN/C=C1/C(=O)NC(=S)N(CCCC)C1=O 5443484 BYASYLARAQXWIQ-QXMHVHEDSA-N 354.476 1.505 50 40 FDGB O=C(NNC(=O)c1cccc(I)c1)c1ccncc1 6251195 SYSBPYAODCSNBB-UHFFFAOYSA-N 367.146 1.761 50 40 FDGB O=C(NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccc(Cl)nc1 58382383 XGTKTBPTBQMBKU-CYBMUJFWSA-N 362.748 1.828 50 40 FDGB COC(=O)N/N=C/c1cc(I)c(OC)c(OC)c1 4575752 QHUHUCAOJUORJU-AWNIVKPZSA-N 364.139 1.998 50 40 FDGB O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccc(Br)o1 4651785 PDMGKIBLBKTJEC-JGVFFNPUSA-N 359.176 1.694 50 40 FDGB CC(=O)NNC(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 5554923 NMLILSCVBATAMM-LCYFTJDESA-N 363.464 1.754 50 40 FDGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1ccc(F)cc1 408585132 AVMVTIOUWVQNJJ-UHFFFAOYSA-N 367.402 1.328 50 40 FDGB C[C@H]1C[C@H](C)CN(CC(=O)NNC(=O)COc2ccc(Cl)cc2)C1 7061581 GOTZSFWYQXOQCS-STQMWFEESA-N 353.850 1.844 50 40 FDGB O=C(NNC(=O)C(F)(F)F)c1cccc(I)c1 671592 TZKUJBVLAMIETR-UHFFFAOYSA-N 358.057 1.615 50 40 FDGB CCCS(=O)(=O)[C@@H](C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 55111041 KJNDYSAXIADVHV-GVMDUPDNSA-N 356.488 1.564 50 40 FDGB O=C(CCNC(=O)NCc1ccccc1)NNC(=O)c1ccccc1F 10025160 GXOZBRNWPAYTNT-UHFFFAOYSA-N 358.373 1.476 50 40 FDGB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1cccs1 6905388 HDWYKNXUMGNXCV-HNNXBMFYSA-N 370.434 1.738 50 40 FDGB O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(Br)cc1 7653011 ZJNUCGCDFKHJMW-UHFFFAOYSA-N 366.171 1.233 50 40 FDGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 7757808 BZVFNCGSQNVUJN-DHZHZOJOSA-N 374.400 1.817 50 40 FDGB C[C@H](O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 58882271 UMXXSXWKJHGSMD-NSMHLIOHSA-N 369.421 1.255 50 40 FDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CC=CCC2)cc1 15512866 DZXLVOAXVOZZEH-AWEZNQCLSA-N 365.455 1.119 50 40 FDGB Cc1nn(C)c(C)c1C(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 7778910 OFOSOSQYTJSEGO-UHFFFAOYSA-N 358.442 1.583 50 40 FDGB CNC(=S)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 13858385 OHLBEDKVGBHTLP-UHFFFAOYSA-N 350.831 1.289 50 40 FDGB COc1cccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccccn2)c1 4560957 REOBXZCXQPAIHE-FYJGNVAPSA-N 356.382 1.990 50 40 FDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)C(C)C)o2)cc1 408775780 UVZBJHINOABWLJ-SRZZPIQSSA-N 370.409 1.949 50 40 FDGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc(Cl)cc1 409383190 SBVUCAFZXKLGDP-YMEQNVIZSA-N 350.758 1.145 50 40 FDGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)cc1 19954398 SGHNVCJNPUSCRE-WOJGMQOQSA-N 361.423 1.617 50 40 FDGB Cc1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccco1 2551610 CDMWWKKFSIDNFL-CMDGGOBGSA-N 359.407 1.702 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2cncc(Br)c2)cc1 2628507 IIZPYGIOHWZGEF-UHFFFAOYSA-N 350.172 1.928 50 40 FDGB O=C(CCc1nc2ccccc2[nH]c1=O)NNC(=O)c1ccc(F)cc1 3343831 XLVFDNOTLXUCQA-UHFFFAOYSA-N 354.341 1.456 50 40 FDGB O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc2c(c1)OCO2 4615128 XIXNERAJVDXYRG-FMQZQXMHSA-N 357.278 1.816 50 40 FDGB CCOC(=O)N1CCC(=NNC(=O)Cn2nnc(-c3ccccc3)n2)CC1 4863433 LWEXCFMSHGABFB-UHFFFAOYSA-N 371.401 1.065 50 40 FDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 409264966 LYSPUQSNQNXYPW-XUNMKLQISA-N 372.219 1.528 50 40 FDGB NC(=S)N/N=C1/[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@@H]2[C@H]4[C@@H](I)[C@@H]3[C@H]12 261361216 JFMQOXYVKCNNAF-YWWJRIGLSA-N 359.236 1.367 50 40 FDGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2363251 UUTPWENVUBQQGA-JWAFFJSPSA-N 363.439 1.480 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)CN2CCc3ccccc3C2)cc1 5879519 NQMFCRLEIJIYBE-CIAFOILYSA-N 351.406 1.982 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)cc1 994381 ICFNYWSLRMVEOJ-UHFFFAOYSA-N 368.345 1.642 50 40 FDGB O=C(NNC(=O)c1ccccc1[N+](=O)[O-])/C(O)=C/C(=O)c1ccccc1 100519021 VMEVLMWEKAABDY-GDNBJRDFSA-N 355.306 1.681 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1ccc(F)cc1 20211802 HCFCHNSWOSMVBY-CXUHLZMHSA-N 355.416 1.804 50 40 FDGB Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2 3566471 YPXOFCWWCLWPNY-QMMMGPOBSA-N 368.484 1.836 50 40 FDGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)NC(N)=O 409244335 BEFVZWQCWNCWAF-UVTDQMKNSA-N 364.361 1.806 50 40 FDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(-c2cccnc2)on1 40128803 NUIVXDITOUPMJZ-INIZCTEOSA-N 366.333 1.338 50 40 FDGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3O)CC2=O)cc1 96504901 UDTSIDQZKPZMKH-GNKPEBMXSA-N 353.378 1.904 50 40 FDGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2nonc2N)o1 16227721 DACJOCZWORXPGL-REZTVBANSA-N 372.297 1.593 50 40 FDGB Cn1c(=O)c(C(=O)NNC(=O)c2cccc(Cl)c2)c(O)c2ccccc21 100551290 HNAFAYBMXXJMTE-UHFFFAOYSA-N 371.780 1.972 50 40 FDGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1O 4976883 AMMUZJOAKTXQLJ-XYOKQWHBSA-N 373.390 1.594 50 40 FDGB Cn1c(=O)c2c(nc(Cl)n2Cc2ccc(CCl)cc2)n(C)c1=O 59596932 NKAAPGDMWOYMDQ-UHFFFAOYSA-N 353.209 1.874 50 40 FDGB CC(C)CC(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 22699061 DZAIWVFUZJPQMY-ZDUSSCGKSA-N 371.434 1.172 50 40 FDGB CCNC(=O)NNC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 65190027 WVHUYFSKGYCOJP-UHFFFAOYSA-N 367.471 1.740 50 40 FDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccncc1 408833328 UDQSEZNBTKEAFL-FYJGNVAPSA-N 368.393 1.083 50 40 FDGB O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccn1 32109724 MEDWKXWWPQALQP-BKUYFWCQSA-N 368.393 1.083 50 40 FDGB CN1CCN(C(=O)[C@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)CC1 33727845 MYLKLBIVJDZYHM-LYRGGWFBSA-N 357.292 1.919 50 40 FDGB COc1ccc(NC(=O)NCCC(=O)NNC(=O)c2ccoc2C)cc1 14260416 WFJKDINDVMJCLF-UHFFFAOYSA-N 360.370 1.569 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 869541 YBYQPELVHBPQBB-UHFFFAOYSA-N 355.759 1.872 50 40 FDGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)[C@@H]3CC=CCC3)ccc12 32985968 BGUOLIJCMLPUHU-CYBMUJFWSA-N 356.378 1.984 50 40 FDGB O=C(CCCc1nc(-c2ccccc2)no1)NNC(=O)c1cccnc1 10024418 OSGMBQSTVPZDMQ-UHFFFAOYSA-N 351.366 1.916 50 40 FDGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1O 408913378 TWOQODFDVVEFQP-DORSJAEJSA-N 371.393 1.905 50 40 FDGB CCOC(=O)Cn1cc(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21 6326408 ZNJLIFPTEPCXSC-RGVLZGJSSA-N 373.409 1.808 50 40 FDGB Cc1ccc2c(c1)C(=O)N(CCC(=O)NNc1nc(C)cc(C)n1)C2=O 14512883 NLYNPPKGJNOZGS-UHFFFAOYSA-N 353.382 1.531 50 40 FDGB COc1ccccc1N1/C(=N/C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@H]21 5341699 KASBDDHYTZIXMM-WGUZPJNYSA-N 374.871 1.535 50 40 FDGB CS(=O)(=O)/C(C#N)=C\c1cnc(S(=O)(=O)c2ccccc2)s1 5721270 NJQVLZGGPVRKEO-GHXNOFRVSA-N 354.434 1.885 50 40 FDGB O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 9256637 NVWCSOOQJRVBJI-UHFFFAOYSA-N 355.218 1.551 50 40 FDGB CC1(C)[C@H](O)[C@@]2(Br)CC[C@]1(CC(N)=O)[C@@H]2Br 85398927 ZKWIBPNRADGAEX-MPKXCIJOSA-N 355.070 1.940 50 40 FDGB CC(C)(C)OOC(=O)C12C3[C@@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 101046265 LAYBNBYOXYTONB-GSHDWCDZSA-N 371.227 1.888 50 40 FDGB O=C(CCc1ccccc1)NNC(=S)NC(=O)COc1ccccc1 4672836 DKAYGVIYBYDCRS-UHFFFAOYSA-N 357.435 1.720 50 40 FDGB O=C(CCC(=O)NNC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC[C@H]1C[C@H]2C=C[C@H]1C2 255187828 HALFTDQUGCSREB-UGDFAFBOSA-N 358.486 1.433 50 40 FDGB O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)Oc1ccc(-n2cccc2)cc1 575422967 FCHVZEPMQQLLDF-UONOGXRCSA-N 354.815 1.970 50 40 FDGB Cc1ccc(C(=O)NNC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 12549272 GWOQIZNMQDKHGP-UHFFFAOYSA-N 370.428 1.717 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] 59459755 ICRNZHWEWFWNHM-UDWIEESQSA-N 370.365 1.412 50 40 FDGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)c1 20208455 ODASCNCAAPDYCE-YBFXNURJSA-N 360.439 1.615 50 40 FDGB CCOC(=O)[C@@H]1/C(=N/NC(=O)CC#N)C[C@@](C)(O)C[C@@H]1c1ccccc1 106783372 NJAZXKWHVGETQM-OGRWXTFKSA-N 357.410 1.880 50 40 FDGB O=C1OC(=O)c2cc3c(cc21)Oc1cc2c(cc1S3(=O)=O)C(=O)OC2=O 100926886 ZPTMJFQQYOFZHC-UHFFFAOYSA-N 372.266 1.246 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1F 68933373 LFCWNSJKQBDONZ-NSHDSACASA-N 359.332 1.779 50 40 FDGB CCOc1cccc(N2C(=O)C[C@@H](NNC(=O)c3ccncc3)C2=O)c1 986041 YHDIRDZNLOVEEF-OAHLLOKOSA-N 354.366 1.047 50 40 FDGB COc1ccc(/C=C\C(=O)NCC(=O)N/N=C/c2ccc(O)cc2O)cc1 4806008 JUEWNXRUTKPSTG-VDNMGETQSA-N 369.377 1.386 50 40 FDGB COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)c2ccccc2)cc1 95456128 NIJXWRRFQKPTLD-UHFFFAOYSA-N 370.365 1.056 50 40 FDGB CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1cccc([N+](=O)[O-])c1 409028429 NXHIQYZYPYSCQX-UHFFFAOYSA-N 354.388 1.407 50 40 FDGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N/NC(N)=O)cc2)cc1 409216260 JIDDPNVJNCLGKY-KEBDBYFISA-N 354.366 1.793 50 40 FDGB CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 4939919 ZMYVYCVDVABSKP-STQMWFEESA-N 365.904 1.667 50 40 FDGB Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408615035 LCLNEZKVZCAGQU-AWEZNQCLSA-N 355.369 1.948 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccnc1 32795479 FTARUIFBRCFCSQ-MRXNPFEDSA-N 364.405 1.384 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] 59459761 PMKKLSVMWDRLKT-GIJQJNRQSA-N 360.301 1.831 50 40 FDGB O=C(NN[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1[N+](=O)[O-] 100571994 STTFGMUDFBXMMG-ZDUSSCGKSA-N 354.322 1.161 50 40 FDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccncc2)c2ccccc21 5739121 NGROWGPPWYOKMM-QJOMJCCJSA-N 365.393 1.089 50 40 FDGB CCc1nn(C)c(CC)c1S(=O)(=O)NNC(=O)c1cc(C)oc1C 89280016 MYIOFRYQZDALNT-UHFFFAOYSA-N 354.432 1.378 50 40 FDGB CCOC(=O)/C(SC#N)=C(/N)N1CCN(c2ccc(OC)cc2)CC1 100207543 RATGABBNNGJCJB-FOCLMDBBSA-N 362.455 1.722 50 40 FDGB O=C(COc1ccccc1Cl)NNC(=O)[C@H]1COc2ccccc2O1 6328194 AAXPESDUKJLSSS-OAHLLOKOSA-N 362.769 1.706 50 40 FDGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)N1CCOCC1 408996254 CRQCMYSAIGEHPB-RVDMUPIBSA-N 372.381 1.197 50 40 FDGB COc1cc(OC)cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 3397807 ZCDJQIWKJCITHQ-UHFFFAOYSA-N 358.350 1.322 50 40 FDGB COc1ccc(/C=N/NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 680256 UKVHKPLLKBEUPQ-GIJQJNRQSA-N 370.438 1.992 50 40 FDGB O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1cccc(Cl)c1 12866805 MBERQSRLHIHUOX-UHFFFAOYSA-N 370.796 1.970 50 40 FDGB O=C(NNC(=O)c1[nH]nc(C2CC2)c1Br)NC1CCCC1 65918976 JPSBCKVNLLDERJ-UHFFFAOYSA-N 356.224 1.936 50 40 FDGB COCCNC(=S)NNC(=O)c1cc(Br)ccc1OC 408588060 WUBANNPBNSKJIV-UHFFFAOYSA-N 362.249 1.213 50 40 FDGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1ccc(C)cc1 409390710 VKQCMQKONRZLOA-UHFFFAOYSA-N 363.439 1.497 50 40 FDGB N#C/C(=C/c1ccc(Br)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 33932266 NMEFTKNJZLTTOR-YLBKJLTLSA-N 369.240 1.659 50 40 FDGB CC1(CC(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)OCCO1 1105669 OTIGUNRMWLUXSC-RGVLZGJSSA-N 358.398 1.120 50 40 FDGB C=CCNC(=S)NNC(=O)[C@H](CCCC)C[C@@H](O)COCC(C)C 13635279 PEMMICOLBWLJSH-HUUCEWRRSA-N 359.536 1.898 50 40 FDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 59515467 OCXPEIAAEAGZRP-VCHYOVAHSA-N 372.337 1.701 50 40 FDGB Cc1cccc(C(=O)NNC(=O)CSc2nnc3n2CCCCC3)c1 12810707 FYBSZMXQRCIJBW-UHFFFAOYSA-N 359.455 1.866 50 40 FDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCNC(=O)c1ccco1 13000181 DCFKPTMZPIJRRD-NSHDSACASA-N 363.345 1.154 50 40 FDGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)c2ccco2)c2ccccc21 4824470 OWMQDWRIVLOVGT-PGMHBOJBSA-N 354.366 1.285 50 40 FDGB Cn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1ccco1 6942091 FVAZLRUZIRBMEA-UHFFFAOYSA-N 357.395 1.628 50 40 FDGB Cc1nc(NC(=O)NNC(=O)CN2CCOc3ccc(Cl)cc32)no1 96011742 FEZAFAFANCFLJS-UHFFFAOYSA-N 366.765 1.083 50 40 FDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(OC)c1OC 5512427 IPLAJGNDSQUIFX-CIAFOILYSA-N 371.393 1.479 50 40 FDGB COc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1 102314202 KPPXZGVYJZVSES-AWEZNQCLSA-N 357.341 1.401 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2OC)cc1 59433987 YQEGMDWMEAJVGO-RGVLZGJSSA-N 369.377 1.879 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 409126982 PVGJLOPAJDPEQI-CPNJWEJPSA-N 374.466 1.912 50 40 FDGB COc1cccc(/C=C2\SC(=O)N(CCC(=O)NNC(C)=O)C2=O)c1 5554924 ULRKTXOYVBWBIM-LCYFTJDESA-N 363.395 1.289 50 40 FDGB COC(=O)CN1C(=O)/C(=N/NC(=O)c2ccc(C)nc2)c2ccccc21 5647644 UPLFCXISOOWFAD-CAPFRKAQSA-N 352.350 1.044 50 40 FDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNS(=O)(=O)c1cccc(C#N)c1 7385264 ACIDYOCSAOFPNQ-LLVKDONJSA-N 363.370 1.474 50 40 FDGB N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)C(=O)NC(N)=O 409244090 XNDOXNZGNAIMKS-BAQGIRSFSA-N 368.143 1.014 50 40 FDGB CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584952532 OPZWMPCHODRMFC-IBGZPJMESA-N 352.243 1.276 50 40 FDGB O=C(NNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O)c1ccc(Br)o1 13147016 DEVBDPVDCFRFSB-SSDHTEECSA-N 371.187 1.550 50 40 FDGB Cn1c(NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(=O)n(C)c1=O 2706532 AJYJKGKZKQVIQL-UHFFFAOYSA-N 366.805 1.038 50 40 FDGB O=C(COc1ccc(-n2cnnn2)cc1)N/N=C/c1cccc(Cl)c1 2320412 KHQODFRWHKAICA-GIJQJNRQSA-N 356.773 1.845 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc1 408996518 IMRPZWRBTLHLLW-RGVLZGJSSA-N 366.377 1.958 50 40 FDGB COCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1 6477686 PYFDQLQXPLCKBW-CQSZACIVSA-N 359.451 1.830 50 40 FDGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(C)c1ccccc12 1757600 KUSGJQZNQWHNSX-IBGZPJMESA-N 351.362 1.628 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)OCO2 7428740 IGVRIPBOASRHOI-UHFFFAOYSA-N 354.771 1.692 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccco1 32794906 GHOUFHDIXIWSHG-CQSZACIVSA-N 353.378 1.582 50 40 FDGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccc2c(c1)OCO2 408973696 PBRAGDQAEIHMTO-UFWORHAWSA-N 368.328 1.358 50 40 FDGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(Br)cc1 4670593 UQJKWNLNODBOKA-VQGSWFTOSA-N 354.204 1.194 50 40 FDGB Cc1nccn1-c1ccc([C@H](C)NCC(=O)NNC(=O)c2ccco2)cc1 97081922 RWYHWDRVCASZQC-ZDUSSCGKSA-N 367.409 1.886 50 40 FDGB O=C(N/N=C/c1ccc2c(c1)OCO2)[C@@H](c1ccncc1)N1CCOCC1 20029561 CENKKKMYUYUUQR-AGKWGAAGSA-N 368.393 1.334 50 40 FDGB NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 4905666 KGUMDDOPJAFALZ-QGZVFWFLSA-N 352.394 1.995 50 40 FDGB CCCNC(=S)NNC(=O)CSc1nc(C)c(C)c(C)c1C#N 7988084 CKNTZHUFFFDMOO-UHFFFAOYSA-N 351.501 1.876 50 40 FDGB O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccccc1 18193280 YBADUVUOTGSTSA-YRIIZNAFSA-N 366.402 1.466 50 40 FDGB Cc1occc1C(=O)NNC(=O)N1CCC(NC(=O)c2ccccc2)CC1 40023839 JMFCFDVDHNDOIF-UHFFFAOYSA-N 370.409 1.837 50 40 FDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(C)cc3)CC2=O)cc1 52411124 IPMXFSWVSBSPCB-HNNXBMFYSA-N 367.405 1.818 50 40 FDGB CN(CCO)c1ccc(/C=N/NC(=O)COc2ccccc2C#N)cc1 36289911 JHIGNXWKXMYFKW-FYJGNVAPSA-N 352.394 1.516 50 40 FDGB O=C(NNC(=O)c1cc(Br)ccc1O)c1ccccc1O 11639458 OFFSTMMVPOQCGK-UHFFFAOYSA-N 351.156 1.935 50 40 FDGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccncc1 14831595 JVKOXMDJHDDIHW-SNAWJCMRSA-N 371.378 1.339 50 40 FDGB O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 17072797 COYHOSGBUYLGIB-IDTSFGKNSA-N 350.802 1.777 50 40 FDGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CN2CCOCC2)o1 59246375 IHLDQBICOFIXKU-YBFXNURJSA-N 372.381 1.946 50 40 FDGB Cc1ccc(CN2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 101302086 PUWCSLRHQXVAAV-LTUGMUNRSA-N 372.899 1.831 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C 408971542 IFCDTHUTMNYYCW-CIAFOILYSA-N 356.426 1.615 50 40 FDGB COc1cccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c1OC 408726335 NBUTXPWHRLXHOV-AWQFTUOYSA-N 357.366 1.995 50 40 FDGB CCCc1c(C(=O)N/N=C(\C)c2cccs2)nnn1-c1nonc1N 9235072 YXHJKHYXQCOVMB-LZYBPNLTSA-N 360.403 1.401 50 40 FDGB O=C(CCc1cccs1)NNC(=O)c1csc(N2CCOCC2)n1 9314038 XKYLSOFFGHUSDP-UHFFFAOYSA-N 366.468 1.435 50 40 FDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 101306335 VDNVVYDQUMLAKQ-SGVFRHMUSA-N 362.835 1.666 50 40 FDGB O=C(CCn1c(S)nnc1-c1cccs1)NNC(=O)c1cccnc1 8728069 JFMWIGJVPMQICC-UHFFFAOYSA-N 374.451 1.542 50 40 FDGB N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@@H]1c1cccs1 409146862 LNOQJBIINQBYFG-NSHDSACASA-N 363.464 1.679 50 40 FDGB CCOc1cccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3)C2=O)c1 100097316 NXWVOCRQZTZDMV-INIZCTEOSA-N 353.378 1.652 50 40 FDGB CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)C1 30600071 UDRDIUNSAPIMCY-LBPRGKRZSA-N 358.398 1.797 50 40 FDGB COC(=O)[C@@H]1[C@@H]2C[C@H]([C@H](Br)[C@@H]2Br)[C@@H]1C(=O)OC 100390312 KBRJVBWTARLNHP-JQVLLDJOSA-N 370.037 1.742 50 40 FDGB CCCC/C(C)=N\NC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 4567985 PHTMCKRUBKNAAK-WJDWOHSUSA-N 356.404 1.555 50 40 FDGB CCCCN1C(=O)NC(=O)/C(=C(/C)NNC(=O)Nc2ccccc2)C1=O 9137327 RHUNPMJCMQNUGI-ACCUITESSA-N 359.386 1.465 50 40 FDGB COc1ccccc1NC(=O)C(=O)NNC1=C(C(=O)C(F)(F)F)CCC1 409366666 UIBDGXRXJYCANE-UHFFFAOYSA-N 371.315 1.824 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1 38357738 VBVKBMBAOMFIBR-GRSHGNNSSA-N 371.349 1.247 50 40 FDGB C/C(=N/NC(=O)C[C@H]1NC(Cc2ccccc2)=NNC1=O)c1ccco1 13303014 HIQZMMIDORSCAT-FAPYRAKZSA-N 353.382 1.154 50 40 FDGB COc1cccc(C(=O)NN[C@H]2CC(=O)N(c3cccc(OC)c3)C2=O)c1 1077579 QKYROYDLWMFPTL-INIZCTEOSA-N 369.377 1.270 50 40 FDGB O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1O 2064480 DZZXFXVYNFXIQD-UHFFFAOYSA-N 360.351 1.250 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1OC 7785478 ILBWXQVGQXZCAY-YBFXNURJSA-N 351.403 1.085 50 40 FDGB COc1ccc(CC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 3621294 SUHRFHXCVHMLBC-UHFFFAOYSA-N 374.393 1.725 50 40 FDGB Cc1cccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3)C2=O)c1 4856225 OBZQXFYDZWMTJN-RVDMUPIBSA-N 364.361 1.396 50 40 FDGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCC(N)=O 408981106 ZHBOYBNRMQQOOP-VGOFMYFVSA-N 354.366 1.620 50 40 FDGB CCO[Si](CCCNC(=O)Nc1nc(=O)cc(C)[nH]1)(OCC)OCC 203825341 FEIIHYSFIMBJNA-UHFFFAOYSA-N 372.498 1.638 50 40 FDGB O=[N+]([O-])[C@H]1C[C@@H](O)CC[C@H]1SS[C@H]1CC[C@@H](O)C[C@H]1[N+](=O)[O-] 5188095 FQKSAAXSQKLZKB-SQJYRNMJSA-N 352.434 1.485 50 40 FDGB CCN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 100855461 QJLMJJIDCFCZTG-TXCMAPRMSA-N 351.362 1.713 50 40 FDGB COc1cccc([C@@H]2[C@@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 808786 MBCQANQVBIAVQP-RTBURBONSA-N 373.416 1.967 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccccc2)c1 3112303 XSEDUFOPPQGBDD-HMHKGCENSA-N 355.394 1.972 50 40 FDGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 3621399 ANFLRWCXADOBMU-HNNXBMFYSA-N 362.769 1.950 50 40 FDGB O=C(CCC(=O)Nc1cccnc1)NNC(=O)Cn1ccc2ccccc21 199413448 XYWNECMGWYFXFV-UHFFFAOYSA-N 365.393 1.603 50 40 FDGB Cc1cc(O)cc(O)c1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 4132490 RPAHMCXAZXABKO-GIJQJNRQSA-N 352.354 1.210 50 40 FDGB CC(=O)Nc1ccc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 6507302 CXOYSVUYBQMTEJ-RGVLZGJSSA-N 363.377 1.656 50 40 FDGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1C 6901537 GLYALZUODFMVTA-CQSZACIVSA-N 357.366 1.435 50 40 FDGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729753 JFRAZVMKGYEVBQ-WOJGMQOQSA-N 358.354 1.637 50 40 FDGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCC(N)=O 853993 UKGHUAOJKNVDQX-UJMHRVFCSA-N 373.409 1.152 50 40 FDGB CCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3cccc(F)c3)C2=O)cc1 100983126 NABCOHSJMUHZLR-INIZCTEOSA-N 371.368 1.791 50 40 FDGB CN(C)c1cccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)c1 409107697 SMZHNHHXFXZAHU-ZDLGFXPLSA-N 358.354 1.896 50 40 FDGB COc1ccccc1N(CC(=O)N/N=C/c1ccncc1)S(C)(=O)=O 408906277 FESSRQOXORYMDY-WOJGMQOQSA-N 362.411 1.007 50 40 FDGB C=CCNC(=O)CC(=O)N/N=C/c1cc2c(cc1Br)OCO2 3062106 ATEOITOGRAXTHJ-REZTVBANSA-N 368.187 1.320 50 40 FDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2F)cc1 16309272 WUOKYUUZESSUGS-ODLFYWEKSA-N 363.414 1.905 50 40 FDGB COc1ccccc1/C=N\NC(=O)C(=O)N/N=C/c1ccccc1OC 17313460 SYLAIXNHNXVHIG-UHWBUFEVSA-N 354.366 1.304 50 40 FDGB Cc1ccc(C(=O)NN[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 100118448 NECQKYMEZGGFBY-HNNXBMFYSA-N 368.349 1.470 50 40 FDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2F)c1 3380357 MTEVLZHJNTXUSJ-UHFFFAOYSA-N 365.386 1.151 50 40 FDGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(OC)nc2)cc1 12944212 SLULBKDYTXOVRL-GFCCVEGCSA-N 359.382 1.717 50 40 FDGB CCc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)cc1 409027137 AOUMUOFLLISTOY-XDHOZWIPSA-N 360.439 1.560 50 40 FDGB Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)[n+]([O-])c2ccccc2[n+]1[O-] 2565066 UWHLLNQPAGQGAF-UHFFFAOYSA-N 372.768 1.143 50 40 FDGB C=CCNS(=O)(=O)C[C@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 103178822 QJELJJBDLLJESP-JULQROHOSA-N 350.278 1.861 50 40 FDGB Cc1cc(C)n2nc(CC(=O)NNC(=O)c3ccccc3Cl)nc2n1 5354692 UDZLTTJJYYFCBY-UHFFFAOYSA-N 358.789 1.398 50 40 FDGB COc1ccccc1/C=C\C(=O)NCC(=O)N/N=C/c1ccc(O)cc1O 4833921 HYLDSOCRKDJSNO-PMWQWYIXSA-N 369.377 1.386 50 40 FDGB Cc1c(/C=N/NC(=O)c2nc[nH]n2)c(O)n2c(nc3ccccc32)c1C#N 5387170 NFVZCGISYQLSQJ-IFRROFPPSA-N 360.337 1.255 50 40 FDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cccc([N+](=O)[O-])c1 797389 MCGPGGIXUUNDKL-LICLKQGHSA-N 351.326 1.399 50 40 FDGB O=C(CCCl)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 9823916 MJSUQTHVPUFQDX-UHFFFAOYSA-N 371.832 1.488 50 40 FDGB COC(=O)[C@@](NC(=O)c1ccc(C)cc1)(/C(C#N)=C(/C)N)C(F)(F)F 20064494 CUZHMFZNCDETNI-WQTVUKCASA-N 355.316 1.955 50 40 FDGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1 6860519 AOQNHRQWCDISGJ-AKIOZOGOSA-N 360.410 1.657 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 58880985 AGTUCOBONDHWMF-KEBDBYFISA-N 373.340 1.466 50 40 FDGB O=C(NNS(=O)(=O)c1cc(F)cc(F)c1)c1ccc2c(c1)OCCO2 12879642 HYRZODZEQLURKP-UHFFFAOYSA-N 370.333 1.359 50 40 FDGB COc1ccc(CC(=O)NNC(=O)COc2ccccc2F)cc1OC 5823572 HPODERWZSHRCIF-UHFFFAOYSA-N 362.357 1.612 50 40 FDGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccccc2O)=N\NC(=N)N)s1 5832224 NTLVAKQUJICNDB-FAXGAIMCSA-N 373.442 1.521 50 40 FDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1C#N 59427710 NJPLDZNWIBZMFR-CNHKJKLMSA-N 373.325 1.438 50 40 FDGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)CCC2)c1ccccc1 11684802 WPFIYVGCZDKSGN-KRWDZBQOSA-N 366.421 1.736 50 40 FDGB Cc1ccccc1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@H]21 101312171 NCHLRSBREKEERR-UWLOGMJLSA-N 358.872 1.835 50 40 FDGB COCCNC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914358 GWRPUWKODLNDLY-ZDLGFXPLSA-N 360.326 1.068 50 40 FDGB CCCc1c(C(=O)N/N=C/c2cccc(F)c2)nnn1-c1nonc1N 5478177 ZMBRTWXFQRNZJS-QGMBQPNBSA-N 358.337 1.088 50 40 FDGB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NN)CC1 408557394 MMPZBVXJALZWPD-UHFFFAOYSA-N 361.851 1.129 50 40 FDGB COc1cc(/C=N\NC(=O)c2ccncc2)cc(Cl)c1OCC(=O)O 408964999 FIILVRNCKMEWJU-UWVJOHFNSA-N 363.757 1.971 50 40 FDGB Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccncc2)cc1C 32119084 IDOXGLMROWZRAL-UHFFFAOYSA-N 358.423 1.413 50 40 FDGB CCn1cc(-c2cc(C(=O)N/N=C/c3c(C)nn(C)c3F)no2)c(C)n1 252490964 LGRRYCGLORELMS-CNHKJKLMSA-N 359.365 1.811 50 40 FDGB O=C(N/N=C/c1ccccn1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1089042 LJQDZCPRNJJCAR-YBFXNURJSA-N 350.338 1.999 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)CC(=O)NCc2ccccc2)cc1 3093596 HOZUHMUJINFSGK-FYJGNVAPSA-N 353.378 1.630 50 40 FDGB O=C(COC(=O)c1cc(Cl)ccc1O)NNC(=O)c1ccccc1F 5746467 BHNCFJFRKNSMSA-UHFFFAOYSA-N 366.732 1.803 50 40 FDGB NNC(=O)C(=O)Nc1nn(Cc2ccc(Cl)cc2)cc1Br 2788491 SFHIKDROWJWHRZ-UHFFFAOYSA-N 372.610 1.276 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 58885040 VOEQZXPDOYITGC-VCHYOVAHSA-N 372.337 1.701 50 40 FDGB CCS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1ccc(OC)cc1 59490220 GAQLCUWCEKITKF-UHFFFAOYSA-N 353.444 1.898 50 40 FDGB Cc1c(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)sc2ncnc(N)c12 408974182 WPFSPRHZJZDGSW-PTXOJBNSSA-N 372.366 1.960 50 40 FDGB NC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O 36617189 OJYZIWGLQUBKAS-SWGQDTFXSA-N 352.970 1.625 50 40 FDGB Cn1cc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c2ccccc21 8145469 CMDFVBBSXSWUQE-UHFFFAOYSA-N 360.414 1.854 50 40 FDGB CCOc1ccccc1/C=N/NC(=O)CNC(=O)Cc1ccc(OC)cc1 4544279 WFKRAHFRODGFHE-LPYMAVHISA-N 369.421 1.903 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccccc1F 408790572 SLIULIWZTIFWCC-VCHYOVAHSA-N 365.386 1.448 50 40 FDGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(N)=O 408753673 KIDFPYCDCIHMMF-FMIVXFBMSA-N 373.346 1.755 50 40 FDGB Cc1nc([N+](=O)[O-])cn1CC(=O)N/N=C/c1ccn(CC(F)(F)F)n1 252509177 YEQMIXKFXLKRLQ-AYSLTRBKSA-N 359.268 1.009 50 40 FDGB O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)Oc1ccc(-n2cccc2)cc1 575422965 FCHVZEPMQQLLDF-KBPBESRZSA-N 354.815 1.970 50 40 FDGB CC(=O)c1sc(NC(=S)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)nc1C 575422034 LUBUJAWUSUVNAT-YUMQZZPRSA-N 367.905 1.345 50 40 FDGB C=CC(=O)OCCOC(=O)NCCC[Si](OCC)(OCC)OCC 196853473 SSSHEVCWPZMSPN-UHFFFAOYSA-N 363.483 1.880 50 40 FDGB COc1cccc(/C=C2\Oc3cc(OCC(=O)NN)ccc3C2=O)c1OC 5325460 XOFYOFDRVZPYQS-PXNMLYILSA-N 370.361 1.689 50 40 FDGB COc1ccc(NC(=O)C(=O)NNC(=O)/C=C/c2ccccc2)c(OC)c1 4680303 LXCNCLUNBGKNFJ-DHZHZOJOSA-N 369.377 1.503 50 40 FDGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1OC 4855310 FLECAFWHJUDDTR-MRXNPFEDSA-N 370.361 1.758 50 40 FDGB CCCCC(=O)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 32732104 PXTZGMBRNIRCOB-UHFFFAOYSA-N 361.423 1.686 50 40 FDGB COCc1[nH]nc2c1[C@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2 35325901 LNPHHXIZMJRUFM-CYBMUJFWSA-N 356.338 1.512 50 40 FDGB CCn1ncc(/C=N/NC(=O)c2cc(-c3ccc4c(c3)OCO4)[nH]n2)c1F 252501750 UJHOZCICCLVFRZ-FBCYGCLPSA-N 370.344 1.925 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)c(OC)c1 2075511 BZLRWTILJSOHQD-UDWIEESQSA-N 370.409 1.859 50 40 FDGB C=CCNC(=O)NC(=O)COC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 3428428 IQYSLYIKZJNNIL-GXDHUFHOSA-N 356.382 1.215 50 40 FDGB COc1ccc([C@@H](CC(=O)NNC(=O)c2ccncc2)NC(C)=O)cc1 9952013 FPLJBOUSOGRZFE-MRXNPFEDSA-N 356.382 1.119 50 40 FDGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(N)=O 83292774 ADMIMGSVWVZDKI-NHDPSOOVSA-N 371.393 1.722 50 40 FDGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1O 58885060 ROCHBLDTZLMKAN-RQZCQDPDSA-N 358.310 1.398 50 40 FDGB O=C(NCc1cccc(NC(=O)C2CCC2)c1)NNC(=O)[C@H]1CCCO1 72264300 FQYLAYHFMAICTP-OAHLLOKOSA-N 360.414 1.435 50 40 FDGB Cc1ccc(C(=O)NNC(=O)CN2CCN(c3ccccc3C)CC2)cc1 35268035 CJRUTMLKQBMTHU-UHFFFAOYSA-N 366.465 1.887 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)CCn1nc(C(F)(F)F)cc1C 252489083 JEXSVVHJVAPRRH-FBCYGCLPSA-N 360.315 1.932 50 40 FDGB CCCCn1c(=O)c2c(nc3n(CCCl)c(C)c(C)n23)n(C)c1=O 10104425 BRDGEFGRIKWNDV-UHFFFAOYSA-N 351.838 1.805 50 40 FDGB O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(-c2ccccc2)cc1 7818702 YSYAHONEAUWXQY-AWEZNQCLSA-N 372.446 1.939 50 40 FDGB Cc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2)C1=O 4855286 BAJDTIXUJIIMJL-SDNWHVSQSA-N 364.361 1.396 50 40 FDGB C[C@H](C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1)S(C)(=O)=O 44984475 DUPZMARRHLHDHI-SECBINFHSA-N 370.427 1.748 50 40 FDGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1O 409260681 UNUOANKLFMBLOY-DJKKODMXSA-N 371.821 1.436 50 40 FDGB CCCn1nc(C(=O)NNC(=O)c2cccs2)c2ccccc2c1=O 12919987 KKAOIJGPXBMTFI-UHFFFAOYSA-N 356.407 1.943 50 40 FDGB CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(N(C)C)cc2)C1=O 16806563 BYQGUURIVMQZNI-BOPFTXTBSA-N 367.405 1.908 50 40 FDGB COc1ccc([C@H]2C(C#N)=C(O)NC(=O)[C@@H]2[n+]2ccccc2)cc1OC 4558327 JRQQEAHYYKEVAQ-DLBZAZTESA-O 352.370 1.739 50 40 FDGB N#CCOc1ccccc1/C=N/NC(=O)CNC(=O)OCc1ccccc1 408806616 AMDJIVZELWMSHI-WSDLNYQXSA-N 366.377 1.965 50 40 FDGB CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)c1 408904330 HYXQRMWLOPKNRM-JJFYIABZSA-N 369.421 1.951 50 40 FDGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3ncnc(O)c32)cc1OC 13479782 NLLGEMSETNCHQU-CYBMUJFWSA-N 356.338 1.426 50 40 FDGB COc1cc(C(=O)N/C(=C\c2ccccc2)C(=O)NN)cc(OC)c1OC 33572074 NBPHGFGQROMJHN-ZROIWOOFSA-N 371.393 1.473 50 40 FDGB CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1 30577366 VCAJUQZKNBJPKD-ZDUSSCGKSA-N 367.833 1.898 50 40 FDGB COc1cc(OC)cc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 6648081 XPLUYYRHXNUOJZ-UHFFFAOYSA-N 368.393 1.594 50 40 FDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1n[nH]c(=O)c2ccccc12 33045768 BPPFCBNMCBFIBY-CAOOACKPSA-N 353.294 1.301 50 40 FDGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccccc1 5824686 JZHULGYUYAVHES-UHFFFAOYSA-N 366.171 1.233 50 40 FDGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CN2CCOCC2)o1 19851569 OMLLGNQJKXQVKT-YBFXNURJSA-N 372.381 1.946 50 40 FDGB CC(=O)c1c(NNC(=O)COc2ccc([N+](=O)[O-])cc2)oc(C)cc1=O 4614655 GFTHHVNKXJQHGE-UHFFFAOYSA-N 361.310 1.581 50 40 FDGB Cc1noc(C)c1S(=O)(=O)NNC(=O)c1cncn1-c1ccccc1 12506676 IGGGRVHGDSOESJ-UHFFFAOYSA-N 361.383 1.100 50 40 FDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1 36093474 JNUYOQQSJNOBBN-IRXDYDNUSA-N 360.377 1.950 50 40 FDGB CC(C)Oc1ccc(C(=O)NNC(=O)CN(C)C(=O)c2ccco2)cc1 12740994 SNACCNDWVZLJHM-UHFFFAOYSA-N 359.382 1.600 50 40 FDGB Cc1ccc(C(=O)NNC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 5579077 ZHZXEKUDNUHONT-UHFFFAOYSA-N 350.378 1.939 50 40 FDGB CCc1ccccc1N(CC(=O)N/N=C/c1ccncc1)S(C)(=O)=O 20208854 LDUZCBKENVCRQZ-XDHOZWIPSA-N 360.439 1.560 50 40 FDGB CCCS(=O)(=O)Nc1cccc(NC(=O)NNC(=O)C2CCC2)c1 95467124 RAYXYJCFXFTQAX-UHFFFAOYSA-N 354.432 1.791 50 40 FDGB C[C@H](Oc1ccccc1)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 5919343 QHXOQLHLAFXSIO-NSHDSACASA-N 365.367 1.372 50 40 FDGB C[C@@]1(C(=O)NNC(=O)[C@]2(C)C[C@@H]2Br)C[C@@H]1Br 4565242 CDNSNKYVQJZYJO-DWAQLAQLSA-N 354.042 1.481 50 40 FDGB O=C/C(=C\NC12CN3CN(CN(C3)C1)C2)c1nc2cc(Cl)ccc2o1 101135564 DZRHXYDHBSEFHR-UUILKARUSA-N 359.817 1.169 50 40 FDGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)O)cc1 58882312 QMPPOHXOCYVTCD-AYPRBGQRSA-N 371.393 1.544 50 40 FDGB CN1C(=O)/C(=N/NC(=O)CNC(=O)c2cccc(F)c2)c2ccccc21 15135117 MTEIQINDYLTGGJ-CJLVFECKSA-N 354.341 1.052 50 40 FDGB COc1ccc(/C=N/NC(=O)c2nn(C)cc2Br)c(OC)c1 1086816 WZFFSZOXZVPYKP-FRKPEAEDSA-N 367.203 1.964 50 40 FDGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)[C@@H](O)c1ccccc1 33628405 WEYQYFPVFHVDPM-HKJBKDEOSA-N 359.338 1.796 50 40 FDGB O=C(COCC(=O)N/N=C/c1cccs1)N/N=C\c1cccs1 4713452 YIVDPJBVBNYJQU-BSHIDLADSA-N 350.425 1.427 50 40 FDGB O=C(NNC(=O)c1ccccc1I)c1ccncc1 6222329 MQTNIMBGGOGPIU-UHFFFAOYSA-N 367.146 1.761 50 40 FDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 101300740 PGJXODHLGUFXQC-VGNHOVESSA-N 362.835 1.666 50 40 FDGB COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1C 27082810 GVIQHVVGYPQQCU-UHFFFAOYSA-N 368.393 1.903 50 40 FDGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c1OC 2219744 DKEAZGPEMYUWCB-OAHLLOKOSA-N 353.378 1.929 50 40 FDGB CCCCC(=O)NN/C=C1\C(=O)N(Cc2ccc(OC)cc2)C(=O)N=C1O 38178035 XSPCDLULGGNMES-UVTDQMKNSA-N 374.397 1.809 50 40 FDGB Cc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccc(Cl)cc2)cc1 223466976 QUUXMUVKKIPFKU-UHFFFAOYSA-N 367.858 1.829 50 40 FDGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c2ccccc21 9743111 WAZJWJCYIFEUKY-OAQYLSRUSA-N 374.400 1.599 50 40 FDGB COc1cccc([C@@H]2[C@H]3CN(C(N)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 20791229 ZUPOMIKXLYWMIL-DLBZAZTESA-N 374.404 1.499 50 40 FDGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc([N+](=O)[O-])c1O 12954200 GRAYXEGAQNAMEI-ZDUSSCGKSA-N 371.305 1.789 50 40 FDGB CCCc1c(C(=O)N/N=C2\CCc3ccccc32)nnn1-c1nonc1N 5297752 ZGPLXKRBBMTTHK-XDHOZWIPSA-N 366.385 1.265 50 40 FDGB O=C(N/N=C/c1cccnc1)C(=O)Nc1nnc(-c2ccccc2)s1 5903186 MVOGDVXPAAPOSK-VCHYOVAHSA-N 352.379 1.689 50 40 FDGB CCOP(=S)(OCC)OC(=O)/C(=N\OC)c1csc(N)n1 15021197 JNSGIVNNHKGGRU-JYRVWZFOSA-N 353.362 1.917 50 40 FDGB Cc1cc(Cl)ccc1N1C(=O)C[C@H](NNC(=O)c2cccnc2)C1=O 2437024 QMFJXSINIXYHGZ-ZDUSSCGKSA-N 358.785 1.610 50 40 FDGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)NC[C@@H]1CCCO1 3271254 YRHUDLLFKFBBRL-XMRSSTEGSA-N 358.350 1.161 50 40 FDGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccnc1 2272301 UMMPKYOUJNPXCL-MRXNPFEDSA-N 369.377 1.826 50 40 FDGB N#C/C(=C\c1cn(CC(N)=O)c2ccccc12)C(=O)NC[C@@H]1CCCO1 409194265 JBZJSOKRXLZQMC-NRUITVPNSA-N 352.394 1.329 50 40 FDGB O=C(CCNC(=O)c1ccsc1)NNC(=O)c1cc2c(s1)CCC2 17445749 SOWQEFALIMMHGB-UHFFFAOYSA-N 363.464 1.879 50 40 FDGB NC(=O)NCCCC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 9317003 QFWSCQDGINJKDG-UHFFFAOYSA-N 370.409 1.475 50 40 FDGB O=C(CCc1nnc(-c2ccccc2)o1)NNC(=O)c1ccc(O)cc1 9316010 JVCRCHPZZIWJDJ-UHFFFAOYSA-N 352.350 1.836 50 40 FDGB CC(=O)NCCC(=O)NNC(=O)c1cc2c3ccccc3n(C)c2s1 9749368 IHCVSDSGBPKYPF-UHFFFAOYSA-N 358.423 1.680 50 40 FDGB NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 409390190 JZESEGIBFSIFKU-MRVPVSSYSA-N 352.243 1.384 50 40 FDGB COc1cc(C(=O)NNC(=O)c2nccnc2N)ccc1OCCC(C)C 10403514 VPSWIODUGHZYIM-UHFFFAOYSA-N 373.413 1.567 50 40 FDGB CN(CC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)c1ccco1 12741473 MLQGVZSBGIOFAO-UHFFFAOYSA-N 367.365 1.203 50 40 FDGB O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1cccc(Cl)c1 3555012 UTABWIWONXJHEY-UHFFFAOYSA-N 356.769 1.511 50 40 FDGB CC(C)(C)c1ccc(C(=O)NNC(=O)CSc2nnc(N)s2)cc1 9153888 AMQUNTJUFONFEB-UHFFFAOYSA-N 365.484 1.971 50 40 FDGB N#C/C(=C/c1ccc(O)c(I)c1)C(=O)NC(N)=O 409236446 GJSMRGQOHYOFNU-CLTKARDFSA-N 357.107 1.099 50 40 FDGB O=C(CN1CCCCCC1=O)NNC(=S)Nc1ccc(F)cc1F 16240295 HWQGELIYWJDOSY-UHFFFAOYSA-N 356.398 1.685 50 40 FDGB CC12CN3CCN(CC(C3)/C1=N/NC(=O)c1cc3ccccc3cc1O)C2 100695119 DFWDZCBGZVTBRL-QOCHGBHMSA-N 364.449 1.899 50 40 FDGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1ccco1 6883761 CHMLTLZAVIFLQX-LHHJGKSTSA-N 362.198 1.566 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 59401564 ZJZJVAQZQBRYJZ-VCHYOVAHSA-N 357.322 1.911 50 40 FDGB Cc1ccc(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 14139314 WCABTAXZEHBZIC-UHFFFAOYSA-N 361.427 1.755 50 40 FDGB O=C(NN/C=C1/C(=O)N(Cc2ccco2)C(=O)N=C1O)c1ccccc1 4857832 HSGLARVRICOBMU-UKTHLTGXSA-N 354.322 1.517 50 40 FDGB COc1ccc(Br)cc1C(=O)NNC(=O)c1ccncc1 6145859 LWBJTVRFRFCSBC-UHFFFAOYSA-N 350.172 1.928 50 40 FDGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1C(=O)O 59444304 SQHCJBNPRAYUQW-KEBDBYFISA-N 359.769 1.805 50 40 FDGB Cn1nc(C(=O)NNC(=O)c2ccc(F)c(F)c2)c2ccccc2c1=O 12920412 HEXPQKBNYNAZEN-UHFFFAOYSA-N 358.304 1.287 50 40 FDGB N#C[C@@H](/N=N\c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1N 68602512 DGRNUFABMULPIR-BVGIJJTOSA-N 367.325 1.614 50 40 FDGB Cc1ccc(S(=O)(=O)NCCC(=O)N/N=C\c2ccccc2O)cc1 28295648 WANOLJHMUALVQU-PDGQHHTCSA-N 361.423 1.519 50 40 FDGB CN(CC(=O)N/N=C/c1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1 6544488 BGHPPXKVSFUTMH-VXLYETTFSA-N 367.377 1.736 50 40 FDGB COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(N)=O 4205513 TVQTUTUZRZHLPB-ZRDIBKRKSA-N 362.345 1.888 50 40 FDGB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1 6648215 ZKLZLZSDSBIXEB-INIZCTEOSA-N 371.462 1.999 50 40 FDGB CN1C(=O)/C(=N/NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 4721357 WOYURJKQYGAVFD-NNDCEHLCSA-N 362.389 1.013 50 40 FDGB COc1cc2c(cc1/C=N/NC(=O)COc1ccccc1OC)OCO2 409066174 KFQGIUORYQXAAE-DJKKODMXSA-N 358.350 1.962 50 40 FDGB COc1ccccc1/C=N/NC(=O)C(=O)N/N=C/c1ccccc1OC 1684474 SYLAIXNHNXVHIG-AYKLPDECSA-N 354.366 1.304 50 40 FDGB CCCCCCn1c(SC[C@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 12373962 NUOATOPNZNQMRW-SNVBAGLBSA-N 374.894 1.695 50 40 FDGB CCc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 102922083 TUHXANLAETWFQL-KRWDZBQOSA-N 367.405 1.824 50 40 FDGB COc1cc(/C=N\NC(=O)c2nonc2N)c(OC)cc1Br 33333211 QHTKXMUBFRJAOZ-WCSRMQSCSA-N 370.163 1.195 50 40 FDGB CCOC(=O)c1sc2ncn(CC(=O)/C(C#N)=C(/C)N)c(=O)c2c1C 105819067 OWKGKALUUPBJAC-KTKRTIGZSA-N 360.395 1.269 50 40 FDGB CN(C)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1F 58406501 DJTRALVWGVCKAD-UHFFFAOYSA-N 359.357 1.738 50 40 FDGB COc1ccc(CCC(=O)N[C@@]2(C(F)(F)F)C(=O)NC(C)=C2C#N)cc1 5186767 ALWOWMJURRBCDT-MRXNPFEDSA-N 367.327 1.972 50 40 FDGB NC(=O)N/N=C/c1sc(=O)[nH]c1-[n+]1ccc(Cc2ccccc2)cc1 18193190 JUOFOFBDEXUZBP-UHFFFAOYSA-O 354.415 1.306 50 40 FDGB CC(=O)Oc1ccccc1/C=N\NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1 18192971 IKKLLWFEQUESFE-PSBCHJKCSA-N 365.389 1.592 50 40 FDGB COc1cccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)O)c1 38357648 IZZBWEXKRDGYNH-GRSHGNNSSA-N 371.349 1.247 50 40 FDGB Cc1cccc(OCC(=O)NCC(=O)NNC(=S)Nc2ccccc2)c1 32111931 WTVMRCJZOVVQMV-UHFFFAOYSA-N 372.450 1.508 50 40 FDGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)COc1ccc(Cl)c(C)c1 1086233 DQDCRUBIOQNIRB-LICLKQGHSA-N 366.765 1.719 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)n1 7784716 SSUDOOZLVSOXNI-NSHDSACASA-N 373.438 1.394 50 40 FDGB CC(C)=NO[C@H]1NC(Br)=C(C#N)[C@@](C#N)(C(N)=O)C1(C)C 22134162 DERZXBAGGHGNQM-YPMHNXCESA-N 354.208 1.480 50 40 FDGB O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccc(O)cc1 1021523 QWLIWINPDSVTFQ-LICLKQGHSA-N 354.395 1.610 50 40 FDGB Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)C1=NNC(=O)CC1 6507508 BTJFFMNBFJOOCS-JTQLQIEISA-N 366.805 1.138 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)COC(=O)c2cccc(C)c2O)cc1 9153890 FDJLOMLWLJUISA-UHFFFAOYSA-N 372.377 1.717 50 40 FDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc([N+](=O)[O-])s1 9846760 IDYFKLPVUZOKQQ-OVCLIPMQSA-N 357.355 1.460 50 40 FDGB COc1cccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(C)(=O)=O)c1 408777705 GJWSSEURBKEAKM-SFQUDFHCSA-N 355.460 1.999 50 40 FDGB N#CC1=C(N)OC2=C(C13C(=O)c1ccccc1C3=O)S(=O)(=O)CCC2 606422336 OGTKQVYXBXGAOW-UHFFFAOYSA-N 356.359 1.196 50 40 FDGB COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 3058230 QPFNFFKYRZERFH-DQAKUKQTSA-N 371.393 1.737 50 40 FDGB CC(C)=CC(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 7978973 TVBFXJOBBOQMKS-UHFFFAOYSA-N 355.188 1.720 50 40 FDGB O=C(CCl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3290334 OVNFLIPONNNICV-UHFFFAOYSA-N 352.843 1.912 50 40 FDGB Cc1cc(C(=O)NNC(=O)C2=COCCO2)c(C)n1-c1ccc(F)cc1 17444690 IOIWUWAABPBKNC-UHFFFAOYSA-N 359.357 1.882 50 40 FDGB CCNc1nc(NCC)nc(C(=O)N/N=C/c2ccc(N(C)C)cc2)n1 4081951 GKAHJKLFMQTLSW-RGVLZGJSSA-N 356.434 1.565 50 40 FDGB C[C@H](NC(=O)C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1 5355011 PIJRMMKIZJPCGS-TZQXVGBESA-N 356.338 1.628 50 40 FDGB Nc1nc[nH]c(=O)c1NC(=O)c1ccc(N(CCCl)CCCl)cc1 4823708 XDEGNMIESCLECD-UHFFFAOYSA-N 370.240 1.888 50 40 FDGB NC(=S)NNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 6575186 OSHMKHVOSFPLIC-HNNXBMFYSA-N 372.450 1.389 50 40 FDGB CC(=O)N[C@H](C(=O)NNC(=O)c1ccccc1Br)C(C)C 8204479 MKECBLWPYGTVNP-LBPRGKRZSA-N 356.220 1.371 50 40 FDGB CCC(COC(=O)CCl)(COC(=O)CCl)COC(=O)CCl 116871234 MPFXKAOCWJRMBW-UHFFFAOYSA-N 363.621 1.729 50 40 FDGB NC(=S)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 6575230 OSHMKHVOSFPLIC-OAHLLOKOSA-N 372.450 1.389 50 40 FDGB COc1ccc(C(=O)N/C(=C/c2ccc(OC)c(OC)c2)C(=O)NN)cc1 1248174 BCNDGAUSAQYZFA-XNTDXEJSSA-N 371.393 1.473 50 40 FDGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1O 36011750 ARMVKERMKLQSGJ-HKJBKDEOSA-N 359.338 1.883 50 40 FDGB COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2 3009286 OEJMYXVIBLBLML-KEBDBYFISA-N 355.350 1.190 50 40 FDGB CCc1ccc(C(=O)NNC(=O)CNC(=O)COc2ccccc2)cc1 5066339 MPQGUEAQSQRVIX-UHFFFAOYSA-N 355.394 1.205 50 40 FDGB C[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc(C(=O)NN)cc1 16850043 BBVGRFAMOKPXLG-ZDUSSCGKSA-N 354.410 1.366 50 40 FDGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1cccc(C)c12 17143949 AYDOPODWYZVISL-IBGZPJMESA-N 351.362 1.912 50 40 FDGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCC(N)=O 3575127 NAEKSXVZSWYRSV-KEBDBYFISA-N 357.366 1.419 50 40 FDGB Cc1sc2ncn(CC(=O)N/N=C\c3ccc(O)cc3)c(=O)c2c1C 31783394 BSVIMYNFHCWIAW-GXHLCREISA-N 356.407 1.931 50 40 FDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 664269 ZBYZNEHXVYKERD-CQSZACIVSA-N 354.318 1.137 50 40 FDGB Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(Br)s1 21632947 CLWBIIBIODBXIK-UHFFFAOYSA-N 364.246 1.472 50 40 FDGB Nc1nnc(CC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)s1 1877433 XFORZGNCIJTTHV-CAOOACKPSA-N 372.366 1.981 50 40 FDGB O=C(CCl)Nc1nnc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)s1 33435663 DNCJGRUXLQTPEZ-ZJUUUORDSA-N 365.846 1.501 50 40 FDGB COc1cc(/C=N/NC(=O)CC#N)c(Br)cc1OCC(=O)O 4513425 LQEGOJUULOCJIM-OMCISZLKSA-N 370.159 1.285 50 40 FDGB CCN1C(=O)CS/C1=N\NC(=O)[C@@](O)(c1ccccc1)[C@H]1C=CC=CC1 17248682 AFIORSMYUUEYRN-ZHQQAZMNSA-N 371.462 1.989 50 40 FDGB CCOC(=O)[C@@H](Br)C(=O)c1c(O)c2ccccc2n(C)c1=O 6655827 XXCLJVCNLSNRMM-NSHDSACASA-N 368.183 1.753 50 40 FDGB CCCn1nc(C(=O)NNC(=O)c2cccc(C)n2)c2ccccc2c1=O 12849017 OJYFHVSFDHVASS-UHFFFAOYSA-N 365.393 1.585 50 40 FDGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(N)=O 8113007 ABMWEDYKWGRWMX-OCKHKDLRSA-N 372.337 1.231 50 40 FDGB O=C(Cn1nnc2ccccc21)NNC(=O)c1cccc(Br)c1 873411 FWZQZDHLZKOHJH-UHFFFAOYSA-N 374.198 1.655 50 40 FDGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccc(O)cc1 32576943 GRQAZVXHVSCMCW-STZFKDTASA-N 352.438 1.660 50 40 FDGB O=C(COc1ccccc1Cl)NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 8346111 VFJLYSSWLKZSJH-GHMZBOCLSA-N 352.774 1.533 50 40 FDGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc([N+](=O)[O-])ccc1O 409366538 VSTJGVGDSWSANP-ZDLGFXPLSA-N 357.322 1.764 50 40 FDGB O=C(NCCNc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(F)cc1 9733159 ILXJWIUKJBMLEU-UHFFFAOYSA-N 361.333 1.790 50 40 FDGB CCOC(=O)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n(CC)n1 253401202 MPQMVSCZZNXDOW-OAHLLOKOSA-N 356.382 1.894 50 40 FDGB Cc1ccccc1N1C(=O)N=C(O)/C(=C\NNC(=O)c2ccncc2)C1=O 4859771 MIPNINVDFCTHIH-JLHYYAGUSA-N 365.349 1.632 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCO2 7428703 UNNHVEBBVNZGRA-UHFFFAOYSA-N 356.306 1.317 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccnc1 32795480 FTARUIFBRCFCSQ-INIZCTEOSA-N 364.405 1.384 50 40 FDGB Cc1ccc(C)c(OCCC(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)c1 32772453 QUNHGNYYYYONSG-CQSZACIVSA-N 368.455 1.045 50 40 FDGB N#C/C(=C\c1cccc(Br)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1462168 LGEOBQMBJJWQAO-ASJRZHAZSA-N 369.240 1.659 50 40 FDGB COc1ccc(CC(=O)NNC(=O)COc2ccccc2OC)cc1OC 5515193 ZZKXDWAVZPTRBW-UHFFFAOYSA-N 374.393 1.481 50 40 FDGB CC(C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408816721 VFJZIFZDBSGTMY-BXBHGGAKSA-N 371.437 1.792 50 40 FDGB O=C(O)CCC(=O)NNC(=O)CCC(=O)Nc1nc2ccccc2s1 9477501 WIGKMHISNUWIKH-UHFFFAOYSA-N 364.383 1.027 50 40 FDGB CNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1 408609198 JQTORIIXDTZGBX-UFFVCSGVSA-N 359.357 1.609 50 40 FDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1 223159179 WMAONBIEBYBTBZ-ZDLGFXPLSA-N 370.321 1.470 50 40 FDGB CCn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)n1 252488678 IWUQHGGBAUWIIG-FZSIALSZSA-N 359.268 1.334 50 40 FDGB CC(=O)Oc1cccc2c1C(=O)[C@]1(O)C(C=O)=C[C@H]3OC(C)(C)O[C@@]2(C)[C@@H]31 5028869 HEUJZCZSFLNIRC-FCNFAXOHSA-N 372.373 1.661 50 40 FDGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C\c1ccccc1Cl 31875884 DGPFDIDUCNUGPA-JRLSWLOKSA-N 373.796 1.746 50 40 FDGB COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 1005875 JICJAUAJFZTABE-KEBDBYFISA-N 357.366 1.088 50 40 FDGB C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)CS2 12623483 LUWFQLWOHYHGTK-IAQYHMDHSA-N 353.831 1.555 50 40 FDGB O=C(O)/C=C\C(=O)NNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 409380192 JVADFPGEDRNJCV-KHPPLWFESA-N 367.361 1.270 50 40 FDGB CC(C)(C)C(=O)N1CCC(=NNC(=O)[C@@H]2COc3ccccc3O2)CC1 54864439 PALZARWBLVYKKP-INIZCTEOSA-N 359.426 1.967 50 40 FDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccc(Cl)cc1 1435822 ZMSVTFBKVJIBRF-REZTVBANSA-N 360.765 1.348 50 40 FDGB COc1ccc(OC)c([C@H]2[C@@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 27224965 VNPKAOSWPKGKIF-AEFFLSMTSA-N 361.405 1.717 50 40 FDGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=C2CCCC2)cc1 842959 VEVZWZFYBQAKHE-UHFFFAOYSA-N 366.443 1.312 50 40 FDGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(=O)O)cc1 59444410 IBQVAJKVCXNYFT-YBFXNURJSA-N 355.350 1.872 50 40 FDGB Cc1cc2c(c(=O)n1CCN(C)C)[C@H](c1ccc(O)cc1)C(C#N)=C(N)O2 2249020 OUGXUCSVJUEUKE-QGZVFWFLSA-N 366.421 1.642 50 40 FDGB C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc(OCC(N)=O)cc1 13041025 JSLDIBOYAXTINU-HYARGMPZSA-N 354.410 1.811 50 40 FDGB COc1cc(C(=O)NNC(=O)CN2CCC[C@H](C)C2)cc(OC)c1OC 14199887 VGMMOOWOPIAAAB-LBPRGKRZSA-N 365.430 1.205 50 40 FDGB O=C1OC(=O)c2ccc(N3CCOCC3)c3c(N4CCOCC4)ccc1c23 98002725 QJIUMSZZPBPZCC-UHFFFAOYSA-N 368.389 1.824 50 40 FDGB CCCCC(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 9972988 QNZPUUKOBHDNBE-UHFFFAOYSA-N 364.471 1.295 50 40 FDGB COc1cc(/C=N/NC(N)=O)ccc1OS(=O)(=O)c1ccc(C)cc1 3572389 OIAPWBHLCVZULA-VCHYOVAHSA-N 363.395 1.774 50 40 FDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(=O)[nH]c2ccccc12 15980283 RLLSBNZVHKZCDF-INIZCTEOSA-N 365.345 1.129 50 40 FDGB COc1cc(/C=N/NC(=O)CSc2ncccn2)cc(OC)c1OC 408833870 ZROZVNKBCZLREA-DJKKODMXSA-N 362.411 1.745 50 40 FDGB OB(O)c1c(Br)cc(Br)cc1Br 169917453 YQXRXSNADQHKTI-UHFFFAOYSA-N 358.620 1.654 50 40 FDGB in-vitro Cn1cc(Br)c(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)n1 6219374 BVNDHWAVEQYOHY-LHHJGKSTSA-N 368.147 1.560 50 40 FDGB CCCOc1ccc(/C=N/NC(=O)CC(=O)NCCOC)cc1OCC 4402110 GBHURBPXUWSVMQ-DEDYPNTBSA-N 365.430 1.477 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 2244381 SNLLNOWQZIZFAU-XFXZXTDPSA-N 364.789 1.618 50 40 FDGB N#Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2cccc(F)c2)cc1 4698875 WOQDRHSSGIYHSO-UHFFFAOYSA-N 370.340 1.114 50 40 FDGB COCc1[nH]nc2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 5013098 AUCHYNZPNNDMOM-CQSZACIVSA-N 372.381 1.800 50 40 FDGB CC(C)CNC(=O)NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O 23136100 BPVAANDKFKKBIA-UHFFFAOYSA-N 360.389 1.636 50 40 FDGB CC(=O)OCC(CCn1cnc2c1N=CN(N)[C@@H]2Cl)COC(C)=O 26892557 LXGQOZBSERMCKF-ZDUSSCGKSA-N 357.798 1.102 50 40 FDGB CN(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccc(F)cc1 6545079 DDHAREOUMKGEAD-CXUHLZMHSA-N 355.416 1.658 50 40 FDGB Cc1cc(N)nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1 7048503 HQONDUQIFZNDGN-UHFFFAOYSA-N 351.819 1.574 50 40 FDGB N#C[C@H](/N=N\c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1N 100643962 DGRNUFABMULPIR-SXZOAGKDSA-N 367.325 1.614 50 40 FDGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cnnn2)c1 25762204 ORNKTYXMHDEIBI-XDHOZWIPSA-N 365.353 1.653 50 40 FDGB O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)COc1ccccc1 4549672 DQAJFYDDTHVEDV-VAWYXSNFSA-N 355.419 1.801 50 40 FDGB CCC(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)Cl)CC3=O)cc2)CC1 72228523 KDZFBUFGYPPOQM-ZDUSSCGKSA-N 363.845 1.864 50 40 FDGB COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(N)=O)cc1 15145634 CRPHZMKDNMFNLP-KEBDBYFISA-N 357.366 1.088 50 40 FDGB C=CCOc1ccc(/C=N/NC(=O)CC(=O)NCCOC)cc1OCC 5464396 ZLDWCVKZDOYYEB-DEDYPNTBSA-N 363.414 1.253 50 40 FDGB COC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2Cl)cc1 708596 BQBMUNSPPXVUCX-UHFFFAOYSA-N 362.769 1.967 50 40 FDGB O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc(-n2cccn2)nc1 24841605 QDAUMYSXRCUNKB-UHFFFAOYSA-N 357.757 1.701 50 40 FDGB CC[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H](NC(N)=O)C(C)C)cc2C1 27327219 NRNHVBMWJQMMHO-QMTHXVAHSA-N 366.487 1.717 50 40 FDGB CC(=O)Nc1ccc(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 12614622 UCBBZTCLDXVDPZ-QGZVFWFLSA-N 369.377 1.175 50 40 FDGB COc1ccc(/C=C(\C#N)C(=O)OCCNC(=O)c2cccnc2)cc1 12618419 GVTWAFPRMGBTIH-LFIBNONCSA-N 351.362 1.970 50 40 FDGB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NN)C1 408701058 QPLVCUJSDVNEDP-SNVBAGLBSA-N 361.851 1.129 50 40 FDGB O=C(O)COc1ccccc1/C=N/NC(=O)c1n[nH]c(=O)c2ccccc12 5594887 JGDOYEQTQSHXCI-DJKKODMXSA-N 366.333 1.150 50 40 FDGB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NN 408676307 NAOKWZRBLVJBHL-UHFFFAOYSA-N 353.375 1.304 50 40 FDGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)c(OC)c1 225501126 KWHUZJZCUBRCGU-UHFFFAOYSA-N 351.384 1.108 50 40 FDGB CCOC(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C 40160880 OLQKJWMQWVCMJD-CYBMUJFWSA-N 357.432 1.075 50 40 FDGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)[C@H](O)c1ccccc1 6782758 XKGIMRVGIRCHJY-MHENUPEQSA-N 350.378 1.861 50 40 FDGB N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2c[nH]c3ccccc23)n1 6222293 FYHKHYOFOALYRY-SSDVNMTOSA-N 370.376 1.843 50 40 FDGB COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1O 2676416 ROQVYDZMXQSYFH-DJKKODMXSA-N 372.337 1.189 50 40 FDGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1O 5512624 BWYWEQMOKWITQP-VCHYOVAHSA-N 352.354 1.205 50 40 FDGB Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2ccc3c(c2)OCCO3)c1 7781697 GBGLXEFXPPRCQB-UHFFFAOYSA-N 370.405 1.844 50 40 FDGB O=C1CN(S(=O)(=O)CBr)C[C@@H]2c3ccccc3CCN12 821807 OKRDBLSWALEZNF-GFCCVEGCSA-N 359.245 1.110 50 40 FDGB COc1cc(C(=O)NNC(=O)Cc2cccs2)cc(OC)c1OC 2726369 CGZNHHTXXARYJF-UHFFFAOYSA-N 350.396 1.778 50 40 FDGB COc1ccc(N(CC(=O)NN=C2CCCCC2)S(C)(=O)=O)cc1 20060395 POPVNEJZOLRKHQ-UHFFFAOYSA-N 353.444 1.898 50 40 FDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1c[nH]c2ccccc12 3193284 MEZYRJBIKFCKJO-YBFXNURJSA-N 356.407 1.597 50 40 FDGB C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1cccc(Cl)c1)CS2 12623488 LUWFQLWOHYHGTK-NHYWBVRUSA-N 353.831 1.555 50 40 FDGB COc1cc(/C=C/C(=O)NNC(=O)c2ccncc2)cc(OC)c1OC 12937250 DAJKHULTTBAOGC-SNAWJCMRSA-N 357.366 1.582 50 40 FDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c(OC)c1 4476311 VYPHJEYQAIROLH-OAHLLOKOSA-N 356.334 1.367 50 40 FDGB Cc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)c(C)c1 408872533 FXFMUOSYMUYKDL-YBFXNURJSA-N 360.439 1.615 50 40 FDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(F)cc2)cc1 39986594 JHMBCSNZDDKNQU-ODLFYWEKSA-N 363.414 1.905 50 40 FDGB O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccs1 35415603 RGJSQLMWDXDGIG-UNOMPAQXSA-N 373.434 1.750 50 40 FDGB N#C[C@@H](N=Nc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1N 245238987 DGRNUFABMULPIR-CQSZACIVSA-N 367.325 1.614 50 40 FDGB CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccco1 2057404 ZTKPZDYWHAMVJO-ARFNDINWSA-N 357.366 1.913 50 40 FDGB O=C(N/N=C/c1ccco1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1454854 TXTFELNRPXEYGH-SFQUDFHCSA-N 363.395 1.064 50 40 FDGB CC(C)c1c(C(=O)N/N=C/C=C/c2ccccc2)nnn1-c1nonc1N 2384035 GJNYSFCLJXVGJH-AVSIYSEJSA-N 366.385 1.785 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1ccc(F)cc1 20211807 GQVRDFAFNZDIIP-VCHYOVAHSA-N 350.375 1.137 50 40 FDGB Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccc3c(c2)OCO3)n1 408981488 HZSHIXPEOYLNAK-DJKKODMXSA-N 364.365 1.528 50 40 FDGB O=C(N/N=C\c1cccc2nonc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 33347542 SQBLMWQIPLCBSE-CHHVJCJISA-N 356.254 1.803 50 40 FDGB NC(=O)CCn1cc(/C=N/NC(=O)c2ccccc2O)c2ccccc21 7098642 CGHWIJCEONBYMN-SRZZPIQSSA-N 350.378 1.986 50 40 FDGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2OC)s1 6154574 BSXDPCFTBWQKLK-CXUHLZMHSA-N 363.399 1.808 50 40 FDGB C[C@@H]1O[C@@H](Cl)C[C@@H](NC(=O)C(F)(F)F)[C@H]1OC(=O)C(F)(F)F 5493117 YARBQFHYGPNYKO-KCDKBNATSA-N 357.634 1.881 50 40 FDGB O=NN(CC(=O)N/N=C/c1ccccc1)CC(=O)N/N=C/c1ccccc1 16969059 DBHBVHMBMRHDLM-AYKLPDECSA-N 366.381 1.270 50 40 FDGB O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 17072798 COYHOSGBUYLGIB-JLUCKKNBSA-N 350.802 1.777 50 40 FDGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccc(Br)c1 3080355 ZGPVJXZGONJZJE-VQGSWFTOSA-N 354.204 1.194 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 59515475 WUSZRXZWJPXSOZ-KEBDBYFISA-N 355.350 1.190 50 40 FDGB Cc1cc2c(c(=O)n1CCN(C)C)[C@H](c1ccncc1)C(C#N)=C(N)O2 2247118 LGYWDFAAGOOUFO-MRXNPFEDSA-N 351.410 1.332 50 40 FDGB CN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)c2ccccc21 4386420 JWIJHGJEPOKQGX-NRFANRHFSA-N 370.368 1.877 50 40 FDGB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NNC(=O)c1ccccn1 14254711 WOKVXAOKSFWSIU-UHFFFAOYSA-N 361.785 1.900 50 40 FDGB CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)OC(C)(C)C)c1 5660329 LFIFKDONWIJWIW-UHFFFAOYSA-N 374.488 1.663 50 40 FDGB C[C@@]1(C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)CC1(Cl)Cl 5920966 KZJIQZQGMPGOJO-LBPRGKRZSA-N 357.153 1.951 50 40 FDGB COc1ccc(NC(=O)C[C@H](C)CC(=O)NNC(=O)c2ccccn2)cc1 9190710 VJSMJRFRAGSDAJ-ZDUSSCGKSA-N 370.409 1.906 50 40 FDGB NNC(=O)c1ccc(OCc2cccnc2)c(I)c1 226321221 VSIQHDSLALIFAP-UHFFFAOYSA-N 369.162 1.869 50 40 FDGB CC1(C)C2([N+](=O)[O-])CN(CCCl)CC1([N+](=O)[O-])CN(CCCl)C2 53276036 ANUZNPKHZLRJDW-UHFFFAOYSA-N 369.249 1.152 50 40 FDGB COc1ccc(/C=N/NC(=O)c2[nH]ncc2Br)cc1OC 825440 OHFTVQGNRAKEPP-GIDUJCDVSA-N 353.176 1.953 50 40 FDGB COc1ccc(/C=N/NC(=O)CSc2ncnc3[nH]cnc23)cc1OC 5386975 YTVJUAUOOZUZIH-AERZKKPOSA-N 372.410 1.613 50 40 FDGB N#C/C(C(=O)CSc1nnnn1C1CC1)=C1\NN=C2CCCCCN21 104954734 OXGNDYYBFPRBHS-KAMYIIQDSA-N 358.431 1.197 50 40 FDGB O=C(CNC(=O)C1CCCCC1)NNC(=O)COc1ccccc1F 6510502 DISWNUDZLCYUHT-UHFFFAOYSA-N 351.378 1.048 50 40 FDGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 408779997 PLYDCLQGLVTQMT-FYJGNVAPSA-N 367.405 1.981 50 40 FDGB CCS(=O)(=O)[C@@H](I)[C@H](O)c1ccc(N)cc1 96519249 HWHOOFCMGSWJBJ-NXEZZACHSA-N 355.197 1.498 50 40 FDGB O=C(CCN1CCOCC1)NNC(=O)Nc1ccccc1C(F)(F)F 16740638 XIFTUOMJUSQGEB-UHFFFAOYSA-N 360.336 1.580 50 40 FDGB Cc1cc(C)n2ncc(C(=O)NNC(=O)c3cc4c(s3)CCC4)c2n1 40069144 QAEUCBFFNDQOTE-UHFFFAOYSA-N 355.423 1.971 50 40 FDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(O)nc12 26779562 MEAMATMGHSRQGY-FOWTUZBSSA-N 374.400 1.974 50 40 FDGB O=C(NNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 4550695 GYLURWKFTPUCES-UHFFFAOYSA-N 353.290 1.776 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 9332819 UMWBJOOOUDNMHH-OWBHPGMISA-N 362.430 1.650 50 40 FDGB NNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 409393118 VLBATPKLBFDCMZ-UHFFFAOYSA-N 361.423 1.197 50 40 FDGB COc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 408615126 MFDWAQPNCLYLPF-ZDUSSCGKSA-N 371.368 1.648 50 40 FDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(F)c3)CC2=O)cc1 408616070 VKJWEFNVNXJQBA-ZDUSSCGKSA-N 371.368 1.648 50 40 FDGB Nc1nonc1C(=O)N/N=C\c1cc(Cl)cc(Br)c1O 96600813 BLNVGCCVJSCSQI-BNNQUZSASA-N 360.555 1.537 50 40 FDGB COc1cc(/C=N\NC(=O)c2sc(N)nc2C)cc([N+](=O)[O-])c1O 95618446 VVMMCSJOJYLAOD-WCSRMQSCSA-N 351.344 1.420 50 40 FDGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc(OC)c1OC 4079621 QPMKMNKYEHMFGL-SRZZPIQSSA-N 371.393 1.593 50 40 FDGB N#C/C(=C\c1cn[nH]c1-c1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 8738068 VBAFMJVCBNIWTM-XETPBLJFSA-N 356.407 1.287 50 40 FDGB C[C@H]1CN(CCNS(=O)(=O)c2ccc(CCCl)cc2)C[C@H](C)O1 55580557 COXOLWZKIDWFNI-KBPBESRZSA-N 360.907 1.855 50 40 FDGB Cc1cccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)c1C 57284659 JSCAEYNARYVAOK-UHFFFAOYSA-N 366.487 1.267 50 40 FDGB COC(=O)CC1=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O1 3295173 YFSOXDSATNUXEH-AWEZNQCLSA-N 373.321 1.393 50 40 FDGB Cc1csc(CC(=O)NNC(=O)COC(=O)c2sccc2C)n1 8526981 WRZHDEQLZOMTMY-UHFFFAOYSA-N 353.425 1.368 50 40 FDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CNC(=O)c1ccco1 7653530 JHQWJYXEXNDNOK-UHFFFAOYSA-N 351.746 1.133 50 40 FDGB COc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c1 46544017 XJIGGQTVEUAJNE-AWEZNQCLSA-N 353.378 1.509 50 40 FDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC(C)(C)C)c1 12849599 RIPFSZKEMJAENT-UHFFFAOYSA-N 369.487 1.914 50 40 FDGB Cn1c(CC(=O)NNC(=O)c2ccc3c(c2)OCCO3)nc2ccccc21 6647997 KXWBSGLKJBVQFD-UHFFFAOYSA-N 366.377 1.348 50 40 FDGB CCNC(=O)NNC(=O)c1ccc(I)c(OC)c1 408568059 SBOTUUNJJBZICX-UHFFFAOYSA-N 363.155 1.264 50 40 FDGB COc1ccc(/C=N/NC(=O)c2ccncc2)cc1CN1CCOCC1 20502819 OARHEGYIRIJQOA-FYJGNVAPSA-N 354.410 1.686 50 40 FDGB COC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(C)cc1 2309973 OAGKVOWNNWQVPT-ZIAGYGMSSA-N 359.407 1.792 50 40 FDGB COc1ccc(/C=C/C(=O)NNC(=O)Cc2csc(C)n2)cc1OC 33029067 IKBLFZBLTNDQGY-FNORWQNLSA-N 361.423 1.872 50 40 FDGB NNC(=O)c1ccccc1CSSCc1ccccc1C(=O)NN 255189694 RLMIKTSMVKIEBJ-UHFFFAOYSA-N 362.480 1.975 50 40 FDGB CN(C)c1cccc(C(=O)NNC(=S)NCc2ccc3c(c2)OCO3)c1 5689732 BOSHXUOPZMUOIE-UHFFFAOYSA-N 372.450 1.790 50 40 FDGB O=C(CNC(=O)c1ccco1)N/N=C/c1cc(Br)ccc1O 3113458 PLOJNYJHXKMEOC-REZTVBANSA-N 366.171 1.628 50 40 FDGB CCCOc1ccc(CCC(=O)N/N=C/[C@@H]2C(=O)NC(=O)N[C@@H]2C)cc1 106963360 HNJBKAQBEVIUKP-QWRHMBGCSA-N 360.414 1.354 50 40 FDGB COC(=O)/C=C1/S/C(=N/NC(=O)c2ccc(Cl)cc2Cl)NC1=O 2389189 SIAVRLCOOYZBLX-WEVVVXLNSA-N 374.205 1.914 50 40 FDGB COc1cccc(NC(=S)NNC(=O)Cn2nc([N+](=O)[O-])cc2C)c1 13545746 JGIICNDIDPGOKQ-UHFFFAOYSA-N 364.387 1.126 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 4699112 CUDBISUOHSJWOG-KGLIPLIRSA-N 350.371 1.112 50 40 FDGB O=C(CCC(=O)N1CCc2ccccc2C1)NNC(=O)c1ccccn1 9190708 NIDAZHOLSFNFRP-UHFFFAOYSA-N 352.394 1.208 50 40 FDGB Cc1cc(O)c(C)c(O)c1/C=N\NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1 19869144 LCVZCUCZLPIHDO-NKBFWYAWSA-N 367.405 1.695 50 40 FDGB O=C(N/N=C/c1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccccc2)C1 3176543 WJNBGVUGQIWCRT-ANKPHQHTSA-N 351.362 1.919 50 40 FDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2O)cc1 16309275 VQPPBRFJDBKJFH-WQRHYEAKSA-N 361.423 1.471 50 40 FDGB O=C(NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)c1ccc(Cl)cc1 30672656 GTLYLQCVJYMSHY-VHSXEESVSA-N 363.723 1.558 50 40 FDGB Cc1cc(C)cc(OCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1 6025935 IIAVXJHJFAZJHG-UHFFFAOYSA-N 356.378 1.687 50 40 FDGB NC(=O)N[C@H](CC(=O)NNC(=O)c1ccccn1)c1ccccc1Cl 7653074 FJTJITAIOTUTAR-CYBMUJFWSA-N 361.789 1.296 50 40 FDGB Cc1cccc(/C=N\NC(=O)CCCC(=O)N/N=C\c2cccc(C)n2)n1 17420185 JODVPTXOVRHGSE-FDYZEBBJSA-N 366.425 1.864 50 40 FDGB COc1ncc(C(=O)NNC(=O)c2ccc(Cl)nc2)cc1[N+](=O)[O-] 2564977 JOUDUIKQBRAUEG-UHFFFAOYSA-N 351.706 1.122 50 40 FDGB Cn1cc(C(=O)NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)c2ccccc21 28667662 GYFHZTCMDFUYPV-QGZVFWFLSA-N 363.373 1.721 50 40 FDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@@H]2CC[C@H]1C2 101309839 DSLNZSKLJWYIQW-BEBMLHFDSA-N 362.904 1.511 50 40 FDGB Cc1ccc(C(=O)NNS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 58366637 NIWFIVFDXDBAOF-UHFFFAOYSA-N 356.407 1.804 50 40 FDGB O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nncs1 3446438 BXDGOYVZFLMZCL-UHFFFAOYSA-N 358.832 1.510 50 40 FDGB C=CCN1C(=O)/C(=N\NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 5668297 MHLRZJYBHHLMOK-VVDBFAKWSA-N 363.373 1.880 50 40 FDGB O=C(NC(=S)NNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 5945331 SWQPFLSFPOHEAZ-UHFFFAOYSA-N 350.381 1.606 50 40 FDGB CN1C(=O)/C(=N/NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21 4611034 DNAWSZIWZVDREX-XMHGGMMESA-N 367.321 1.030 50 40 FDGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1CN1CCOCC1 20394712 LPMXSHXJDGRBIP-CIAFOILYSA-N 354.410 1.686 50 40 FDGB Cc1ccc(C(=O)NNC(=O)CN2C(=O)CCOc3ccccc32)c(C)c1 8143471 JDINBKNKOMAVRD-UHFFFAOYSA-N 367.405 1.880 50 40 FDGB C/C(N)=C(/C#N)C(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1 21670406 NZPKHVRAHPRKQG-WYMLVPIESA-N 350.396 1.027 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(O)c([N+](=O)[O-])c1 408599279 RSLCTECPEBKHBP-LZYBPNLTSA-N 360.282 1.981 50 40 FDGB CCOC(=O)[C@@H]1/C(=N/NC(=O)CC#N)C[C@@](C)(O)C[C@H]1c1ccccc1 254873698 NJAZXKWHVGETQM-UZVIKMHSSA-N 357.410 1.880 50 40 FDGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC 853969 HUSSABQFGBWBBS-XEVNVYFWSA-N 361.354 1.814 50 40 FDGB Cc1ccc(NC(=O)NNC(=O)CN2C(=O)COc3ccccc32)cc1 15935941 PYUWBQPUQQMHOL-UHFFFAOYSA-N 354.366 1.573 50 40 FDGB C[C@@H]1O[C@@H](Cl)C[C@@H](NC(=O)C(F)(F)F)[C@@H]1OC(=O)C(F)(F)F 1566764 YARBQFHYGPNYKO-SLPGGIOYSA-N 357.634 1.881 50 40 FDGB COc1cccc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)c1O 4132508 UPCKBKIJQBJFIH-BTZNOAQDSA-N 367.405 1.867 50 40 FDGB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)c1ccc(Cl)cc1 40143209 LHOKTBFNSSYLQJ-UHFFFAOYSA-N 371.802 1.272 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1 1081794 JWQMNMCUGCFQAY-GIJQJNRQSA-N 354.370 1.522 50 40 FDGB O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(Br)cc1 7782244 OGXRJMSYGLKKKW-CAOOACKPSA-N 350.172 1.809 50 40 FDGB COCCN1C(=O)C[C@H](NNC(=O)c2ccc(Cl)cc2Cl)C1=O 3375127 YMLYZHBIADHUSR-NSHDSACASA-N 360.197 1.002 50 40 FDGB Nc1cc2ncnn2c(SCC(=O)N/N=C/C=C/c2ccccc2)n1 3770911 ASQYGDLXDAUASZ-SIARZVSRSA-N 353.411 1.614 50 40 FDGB O=C(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)cc1O 6221693 KAVSARIOJVTVOQ-VCHYOVAHSA-N 372.337 1.875 50 40 FDGB Cn1c(=O)c(C(=O)NNC(=O)c2ccccc2Cl)c(O)c2ccccc21 100551284 OWMQGFONKWLRNE-UHFFFAOYSA-N 371.780 1.972 50 40 FDGB O=C(NN/C=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1O)c1ccccc1 34236405 CFWMLFFVTVMPFN-PTNGSMBKSA-N 364.361 1.924 50 40 FDGB C/C(=N\NC(=O)Cn1nnc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 15938512 YDTGNIRPWATWGQ-LDADJPATSA-N 365.353 1.789 50 40 FDGB Cc1cc2c(c(=O)o1)[C@]1(C(=O)Nc3c(Cl)cccc31)C(C#N)=C(N)O2 31817736 SMUIBMQLTNMDIO-QGZVFWFLSA-N 355.737 1.926 50 40 FDGB Cc1cccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 59474688 CXDNKNDZQNTYFB-HNMKQIAWSA-N 372.450 1.693 50 40 FDGB COc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)NN)cc1 2273578 XMGJUGCNILHHCM-RIYZIHGNSA-N 355.350 1.185 50 40 FDGB C[C@]1(C(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1Br 4772816 NBMGJWLWWFZCMH-ZHVYSYIMSA-N 368.187 1.929 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 408831031 PGFHMFFFLUGLRN-DJKKODMXSA-N 360.395 1.271 50 40 FDGB COc1ccccc1OCC(=O)N/N=C/c1ccc(N2CCOCC2)o1 408999138 WQCIDJHJUVDIOP-XDHOZWIPSA-N 359.382 1.654 50 40 FDGB COc1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)c(Cl)c1 575420066 FFFCTSZEYNDNFC-KOLCDFICSA-N 353.227 1.875 50 40 FDGB COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(O)cc1 2448965 VLHYQBSKPPYAOU-PRHODGIISA-N 357.391 1.532 50 40 FDGB Cn1cc(C(=O)NNS(=O)(=O)c2cccc(C#N)c2)c2ccccc21 5261829 MVECTHMXIRCCJB-UHFFFAOYSA-N 354.391 1.673 50 40 FDGB COC(=O)CSC1=C(C#N)[C@H](c2ccc(O)c([N+](=O)[O-])c2)CC(=O)N1 36018903 ZJMGUIKRCCRXQL-VIFPVBQESA-N 363.351 1.545 50 40 FDGB O=C(CCC(=O)NNC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC[C@@H]1C[C@H]2C=C[C@H]1C2 255187827 HALFTDQUGCSREB-QQCJEOGWSA-N 358.486 1.433 50 40 FDGB CC(=O)c1sc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)nc1C 575421169 IJXRCMCMAJEAGC-HTQZYQBOSA-N 351.837 1.180 50 40 FDGB O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)Nc2ccc(O)cc2)[C@@H]13 102608349 YBVXLYDEKJABPR-QXMWZZNTSA-N 352.184 1.902 50 40 FDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc(=O)[nH]c2ccccc12 15980284 RLLSBNZVHKZCDF-MRXNPFEDSA-N 365.345 1.129 50 40 FDGB COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1 409133980 VEBPXCBYUOZINH-ZIAGYGMSSA-N 360.391 1.331 50 40 FDGB Cc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)ccc1[N+](=O)[O-] 102192557 HNNQWSUPOFJWKX-ZNIXKSQXSA-N 361.354 1.411 50 40 FDGB O=C(O)COc1ccccc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 3102446 RYEMESUWJGLHAX-GIJQJNRQSA-N 373.321 1.587 50 40 FDGB Cn1c(CC(=O)N/N=C/c2ccccc2OCC(=O)O)nc2ccccc21 3579300 WREOSBCUPRVACM-RGVLZGJSSA-N 366.377 1.730 50 40 FDGB CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)c2cccnc2)c(O)c1 18192929 WRMPVPWWYAFZMS-WSDLNYQXSA-N 369.425 1.514 50 40 FDGB CN1C(=O)/C(=N\NC(=O)c2ccncc2)c2cc(Br)ccc21 18148613 XGJLHZZHVDGYBC-AQTBWJFISA-N 359.183 1.955 50 40 FDGB NC(=O)[C@H]1CC(C(=O)NNc2cccc(Cl)c2)=NN1c1ccccc1 30807387 PGLCYVZXUWMQKV-OAHLLOKOSA-N 357.801 1.903 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)Cc1ccccc1 6584696 DBUJGHXGGGEBMK-WOJGMQOQSA-N 361.423 1.304 50 40 FDGB COC(=O)c1ccc(C(=O)NNC(=O)Cc2cn3ccsc3n2)cc1 7947404 SZLLFTJUVAXLBY-UHFFFAOYSA-N 358.379 1.186 50 40 FDGB O=C(CN1C(=O)COc2ccccc21)NNC(=O)c1cc2ccccc2[nH]1 8095682 OTVZCFNHBBUVFI-UHFFFAOYSA-N 364.361 1.355 50 40 FDGB O=[N+]([O-])[C@H]1C[C@@H](O)CC[C@H]1SS[C@@H]1CC[C@@H](O)C[C@@H]1[N+](=O)[O-] 17004558 FQKSAAXSQKLZKB-KTWSDMTRSA-N 352.434 1.485 50 40 FDGB CC(=O)N1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21 2437773 AJQQANMDVBMWRE-IBGZPJMESA-N 363.329 1.214 50 40 FDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccccc2C(=O)O)c1 59444439 MEPWUJHWMSHCEN-VXLYETTFSA-N 371.349 1.491 50 40 FDGB Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 2135155 QEOULGDXFLJFJT-UHFFFAOYSA-N 373.365 1.817 50 40 FDGB Cc1ccc(-n2nc(C(=O)N/N=C\c3cccnc3)c(C)c(C#N)c2=O)cc1 409061930 KDDUFDGXKOVJAI-FMCGGJTJSA-N 372.388 1.880 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1 7050399 IBNIJSPNTWORBB-UHFFFAOYSA-N 374.397 1.943 50 40 FDGB Cc1occc1C(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 7783715 APGRSLVLJOZEJY-UHFFFAOYSA-N 352.350 1.268 50 40 FDGB O=C(NNC(=O)c1ccc(I)cc1)c1ccncc1 3071272 ORLKTJMVKSYBAX-UHFFFAOYSA-N 367.146 1.761 50 40 FDGB CC(/C=C/c1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1C 1059097 WUIHTJZPMFOETG-RRPIPXOHSA-N 352.358 1.360 50 40 FDGB NS(=O)(=O)c1ccc(NNC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 9096954 FQFUMGCPMAWZTE-UHFFFAOYSA-N 357.392 1.201 50 40 FDGB COc1cc(Br)cc(/C=C(/C#N)C(=O)NC(N)=O)c1OC 409233472 KQXKWYWJGUCQJC-BAQGIRSFSA-N 354.160 1.568 50 40 FDGB CC(=O)c1sc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)nc1C 575421174 IJXRCMCMAJEAGC-YUMQZZPRSA-N 351.837 1.180 50 40 FDGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccoc3C)CC2=O)c1 32755169 KJHJNPJVICZMCL-CQSZACIVSA-N 355.394 1.965 50 40 FDGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C 59566501 CALCREZYPJXJNE-FYJGNVAPSA-N 356.426 1.697 50 40 FDGB O=C(NNC(=O)c1cncn1-c1ccccc1)c1ccc2c(c1)OCO2 12547842 DFLAECSHBJSRCH-UHFFFAOYSA-N 350.334 1.676 50 40 FDGB Cc1cc(C)n(CC(=O)N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)n1 96714068 ZYUTYJNIOZXZLI-JXAWBTAJSA-N 364.402 1.337 50 40 FDGB O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)Nc2nc3ccccc3s2)C1 575422179 AETUQGRQZPQPRE-VXNVDRBHSA-N 361.901 1.987 50 40 FDGB CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H]1SC#N 5048022 BPVKXUSSTFCNFF-SFTQSGBHSA-N 354.340 1.067 50 40 FDGB C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc(C(=O)NN)cc1 16850045 BBVGRFAMOKPXLG-CYBMUJFWSA-N 354.410 1.366 50 40 FDGB Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1 1032973 PHYVILOSGDMSSF-UHFFFAOYSA-N 364.814 1.919 50 40 FDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2)c1-c1ccccc1 705366 NMOCVTZZMIOAIW-RGVLZGJSSA-N 374.364 1.663 50 40 FDGB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1F 6062590 COFQDGPDYDURFF-UHFFFAOYSA-N 361.285 1.352 50 40 FDGB N#C/C(=C\N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)C(N)=O 8665224 RLQJGAUFWKPWTJ-SWTGVTSMSA-N 360.376 1.689 50 40 FDGB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NN)cc2)cc1 107606760 QDUCKHGLWHXJSR-UHFFFAOYSA-N 365.411 1.255 50 40 FDGB CSCC[C@@H](NC(N)=O)C(=O)NNC(=S)Nc1ccccc1C 5701853 XBAJDHHYPZEQTF-LLVKDONJSA-N 355.489 1.103 50 40 FDGB C=CCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1 5480619 LZFPJXQKLZTWRT-CPNJWEJPSA-N 373.434 1.680 50 40 FDGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(=O)N1CCCC1 2268974 PWUKWJMMJUHIRR-VIFPVBQESA-N 374.224 1.531 50 40 FDGB CC1(C)N(N)C=C(O)c2c3c(nn21)OC(N)=C(C#N)[C@@H]3c1cccnc1 100698658 XSXFCVUJVWDGTH-LBPRGKRZSA-N 351.370 1.235 50 40 FDGB CC(C)c1c(C(=O)N/N=C/c2ccc(Cl)cc2)nnn1-c1nonc1N 2376376 XHIIAUAOALTWGC-CNHKJKLMSA-N 374.792 1.773 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1ccccc1Cl 20209277 OQCJZJIQUGPQCC-VCHYOVAHSA-N 366.830 1.651 50 40 FDGB O=C(O)CC/C(=N\NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1 4822934 GEUXDZKGUKXQEO-CJLVFECKSA-N 371.368 1.941 50 40 FDGB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2ccccc2O)c1C 9335927 YSFHJOKIICVDRH-UHFFFAOYSA-N 365.367 1.541 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1cccc(F)c1 409138989 KUTZEDVQIIEWRK-VCHYOVAHSA-N 350.375 1.137 50 40 FDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OC)cc1 223157822 XZVOUVCJUKQOPU-ODLFYWEKSA-N 355.350 1.571 50 40 FDGB C=CCNS(=O)(=O)C[C@@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br 245241824 QJELJJBDLLJESP-UKJIMTQDSA-N 350.278 1.861 50 40 FDGB NC(=O)N/N=C1/[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@@](F)([C@H]5I)[C@@H]24 261361225 MBGUCZDUDAPKPA-NPWZUUHBSA-N 361.158 1.294 50 40 FDGB CO[C@@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](SC#N)[C@H]1O 5049479 WBOSEENYEKDFPW-FMCLSXCISA-N 354.340 1.067 50 40 FDGB COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)c(OC)c1 3085150 UGLOGOKRBRNHPD-UFFVCSGVSA-N 359.357 1.723 50 40 FDGB N[C@@H](CSSC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(=O)O 1675893 NFPHAUIPMMUEFQ-WDEREUQCSA-N 374.440 1.159 50 40 FDGB Cc1cccc(OCC(=O)NN[C@@H]2CC(=O)N(c3ccccc3)C2=O)c1 100572090 FFBGFJLDLZRWQV-MRXNPFEDSA-N 353.378 1.327 50 40 FDGB O=C(NC[C@H]1COCCO1)NNC(=O)c1cc2c(s1)CCCCC2 57082382 PECSCRRQMWAFLK-LBPRGKRZSA-N 353.444 1.376 50 40 FDGB O=C(/C=C/c1ccccc1)NCCC(=O)NNC(=O)Cc1ccccc1 9952007 STZHKEGWJVBPMO-VAWYXSNFSA-N 351.406 1.596 50 40 FDGB O=C(CCCC(=O)N/N=C/c1cccc(O)c1)N/N=C\c1cccc(O)c1 31670080 DYIPYWSQCROVSJ-AYRZQKSOSA-N 368.393 1.869 50 40 FDGB N#C[C@H](N=Nc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1N 245238986 DGRNUFABMULPIR-AWEZNQCLSA-N 367.325 1.614 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1cc2ccccc2cc1O 50170661 UURHODUYYAXXFO-HNNXBMFYSA-N 367.405 1.565 50 40 FDGB Cc1c(C(=O)N/N=C/c2c(F)cccc2Cl)nnn1-c1nonc1N 3095420 HVRQOQIKAIGJAW-YAXRCOADSA-N 364.728 1.097 50 40 FDGB O=C(CCN1CCOCC1)N/N=C/c1cc(Br)ccc1O 19890417 YNYYDOQSHODIEV-MHWRWJLKSA-N 356.220 1.327 50 40 FDGB COc1cc(Cl)cc(/C=N/NC(=O)Cn2nnc3ccccc32)c1O 687008 SFIZCENHOQMMKT-QGMBQPNBSA-N 359.773 1.949 50 40 FDGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 58885076 NTISQMILPQNMTQ-CXUHLZMHSA-N 357.282 1.592 50 40 FDGB C[C@H]1CCO[C@@H]1C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 95942906 RDCBTOYJFQJSLT-STQMWFEESA-N 370.450 1.047 50 40 FDGB O=C1NC(=O)N2C[C@H](CI)O[C@H]2[C@@H]1c1ccccc1 5395457 PCNIHRSGOXSKJD-UMNHJUIQSA-N 372.162 1.482 50 40 FDGB Cc1ccc(C(=O)NNC(=O)CSc2nc(-c3cccnc3)n[nH]2)cc1 5504437 LNVBEWOYDAFOOV-UHFFFAOYSA-N 368.422 1.728 50 40 FDGB COc1ccc(C(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1OC 3195969 HXBIQSPGPBYDOI-UHFFFAOYSA-N 361.379 1.087 50 40 FDGB Cc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c1O 13617538 LZMROFSRZSBXSW-VHXYRJIDSA-N 357.322 1.899 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2ccccn2)cc1Br 9610065 MRWPKPATACNIFU-UHFFFAOYSA-N 350.172 1.928 50 40 FDGB O=C(CCl)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 5370525 APNYGQPYBQEIOS-SFZWNRONSA-N 362.835 1.666 50 40 FDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1O 5512571 JMRXVGWICANYRU-KEBDBYFISA-N 361.785 1.821 50 40 FDGB O=C(O)CN1C(=O)/C(=N/NC(=O)CNc2ccccc2)c2ccccc21 19831056 NGOVGLBNXVEEEN-HEHNFIMWSA-N 352.350 1.050 50 40 FDGB biogenic COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O 105229182 KEVKEKKKUHKLHF-MFOYZWKCSA-N 374.309 1.910 50 40 FDGB N#C/C(C(=O)CSc1nc(N)cc(=O)[nH]1)=C1\Nc2ccccc2S1 15379280 FZIYVXKYXQAPHE-ZSOIEALJSA-N 357.420 1.966 50 40 FDGB Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)c1ccc2c(c1)OCO2 7957596 AEHFSORUHUKROK-UHFFFAOYSA-N 372.425 1.888 50 40 FDGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)CN1CCOCC1 408997365 NYRWHZAYDMVTJJ-PDGQHHTCSA-N 363.418 1.223 50 40 FDGB CC(=O)NNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 32738585 QEQDUTHJQHQRNW-UHFFFAOYSA-N 368.231 1.469 50 40 FDGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1OC 8582714 KYONWWWAZGKVDE-CQSZACIVSA-N 354.366 1.785 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(OC)cc2)cc1 59502742 MIMBYDRYBUENSZ-RGVLZGJSSA-N 372.377 1.776 50 40 FDGB CC(C)c1ccc(N2C(=O)C[C@H](NNC(=O)c3cccnc3)C2=O)cc1 2330485 CQMYJYPUJGXPID-INIZCTEOSA-N 352.394 1.772 50 40 FDGB COC(=O)c1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 12913741 SHAJGCJDIWGGPE-UHFFFAOYSA-N 351.362 1.958 50 40 FDGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccc([N+](=O)[O-])cc1 5527382 OSAIJTRKVJEVHY-INIZCTEOSA-N 373.321 1.716 50 40 FDGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 408907066 LLROJMZGTRAQFL-BGARDKSCSA-N 374.353 1.995 50 40 FDGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccncc1 34793972 JJBBMGBIDWQYHO-UYRXBGFRSA-N 360.439 1.036 50 40 FDGB CCCc1c(C(=O)N/N=C/c2ccc(Cl)cc2)nnn1-c1nonc1N 2447740 AUORFXKWZJDTDO-QGMBQPNBSA-N 374.792 1.602 50 40 FDGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(C)cc12 1892162 WFMOHTNBZBXMLW-LJQANCHMSA-N 351.362 1.912 50 40 FDGB COc1cc(/C=N/NC(N)=O)ccc1OS(=O)(=O)c1ccc(F)cc1 408735785 WULGDDUAFCEKKJ-GIJQJNRQSA-N 367.358 1.604 50 40 FDGB COc1ccc2cc(C)c3nnc(SCC(=O)NNC(C)=O)n3c2c1 928446 DZYBWFAXBWXLKU-UHFFFAOYSA-N 359.411 1.459 50 40 FDGB COc1cccc(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 669849 FNUOEWBHVNLENY-UHFFFAOYSA-N 351.340 1.227 50 40 FDGB CCCc1c(C(=O)N/N=C/c2ccccc2F)nnn1-c1nonc1N 5499139 KTVNKOJFYRHDRW-QGMBQPNBSA-N 358.337 1.088 50 40 FDGB O=C(CCNC(=O)c1ccsc1)NNC(=O)Cc1c[nH]c2ccccc12 24455094 GEZYOWQCKQTMKU-UHFFFAOYSA-N 370.434 1.739 50 40 FDGB O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CC[C@H](B(O)O)C1 585075958 VCSYDWTZFVUMRB-LBPRGKRZSA-N 359.212 1.875 50 40 FDGB CCn1c(=O)n2n(c1=O)[C@@H]1C=C[C@@H]2[C@H](Br)[C@@H]1Br 100693926 BKZJXAPBDSHINK-XUTVFYLZSA-N 365.025 1.024 50 40 FDGB Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2121840 VPDNUHXUSDWKPO-KEBDBYFISA-N 370.365 1.549 50 40 FDGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)Cc3ccccc3)CC2=O)c1 12935046 LKOMKNCSGNPTOC-KRWDZBQOSA-N 365.433 1.992 50 40 FDGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(O)cc1 13058876 NUSZMKFAAUTXFK-UHFFFAOYSA-N 364.379 1.177 50 40 FDGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc3c(c2)OCO3)s1 408731751 POIAYAAWEFZYEW-FRKPEAEDSA-N 361.383 1.308 50 40 FDGB O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1 3296101 NUIATBZNTPWLMI-DHZHZOJOSA-N 369.333 1.612 50 40 FDGB CCOC(=O)CSCC(=O)NNC(=O)COc1ccc(Cl)cc1 3238063 PVNKFZNICOUHAF-UHFFFAOYSA-N 360.819 1.163 50 40 FDGB Cn1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc21 10736463 CUEVWOOYHLUHRJ-UHFFFAOYSA-N 371.418 1.657 50 40 FDGB COc1ccc(C(=O)N/N=c2\oc3c(OC)cccc3cc2C(N)=O)cc1 11027231 MBRPCPOZOOYLAH-QOCHGBHMSA-N 367.361 1.795 50 40 FDGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)[C@H](O)c1ccccc1 5528200 KRUFMSMWAWEMHO-CQSZACIVSA-N 374.194 1.955 50 40 FDGB C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1cccc(Cl)c1)CS2 9155131 LUWFQLWOHYHGTK-XHDPSFHLSA-N 353.831 1.555 50 40 FDGB O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1 7779034 ZIARRPCXLTVKKG-UHFFFAOYSA-N 372.362 1.766 50 40 FDGB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1C 575422994 NGPDLCULJABOLC-NWDGAFQWSA-N 351.877 1.295 50 40 FDGB CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O 4857542 BHYAQTXGTYPJBH-GXDHUFHOSA-N 372.425 1.890 50 40 FDGB Cc1cccc(OCCCC(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 24127830 VYMRFEKTGNAHMZ-AWEZNQCLSA-N 368.455 1.126 50 40 FDGB CCc1ccc(C(=O)NNS(=O)(=O)c2ccsc2C(=O)OC)cc1 8762886 SAKZFLKUZZPCLY-UHFFFAOYSA-N 368.436 1.720 50 40 FDGB C/C(N)=C(/C#N)C(=O)COC(=O)COc1ccc(Br)cc1 5989861 DTIWCVFFHGUWLL-FMIVXFBMSA-N 353.172 1.696 50 40 FDGB O=C(CN1CSCC1=O)NNC(=O)c1cc2c(s1)CCCCC2 23788995 BJOOZNUWSCWTBF-UHFFFAOYSA-N 353.469 1.311 50 40 FDGB O=C(NC[C@@H]1COCCO1)NNC(=O)c1cc2c(s1)CCCCC2 57082381 PECSCRRQMWAFLK-GFCCVEGCSA-N 353.444 1.376 50 40 FDGB Cc1ccc(SCC(=O)NNC(=O)CCN2CCSC2=O)cc1 12870776 QKEZCJOKIPZAMR-UHFFFAOYSA-N 353.469 1.793 50 40 FDGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1C 13254611 GDDDDQONKLDCKF-ILXRZTDVSA-N 360.410 1.885 50 40 FDGB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccs1 6509896 HDZBTHRYIRTFLG-VIFPVBQESA-N 351.815 1.981 50 40 FDGB COc1ccccc1/C=N/NC(=O)CN1CCN(Cc2ccccc2)CC1 20057942 FBARJBSLXDQMSW-PXLXIMEGSA-N 366.465 1.963 50 40 FDGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1-c1cccc(Br)c1 408941072 PLEZFIIKWSHFBB-QGMBQPNBSA-N 363.215 1.792 50 40 FDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccs1 15018833 RGJSQLMWDXDGIG-XDHOZWIPSA-N 373.434 1.750 50 40 FDGB COc1ccc(C(=O)N/N=C\c2cccc(OCC(N)=O)c2)cc1OC 409314210 FJNRXLVLKHLJPC-JMIUGGIZSA-N 357.366 1.332 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)N2CCc3ccccc3C2)cc1 75249236 GSXYMJYUTRKZQF-CIAFOILYSA-N 365.389 1.508 50 40 FDGB NNC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 223468882 GLHDRXLEVFJASZ-UHFFFAOYSA-N 359.451 1.751 50 40 FDGB O=C(CC(=O)N/N=C\c1ccccc1[N+](=O)[O-])NCCc1ccccc1 4611347 KXBVJLPSAWCBKT-MOSHPQCFSA-N 354.366 1.794 50 40 FDGB O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc2c(c1)OCO2 30791455 ZNRQDPSNGNIKEW-TURBMVLMSA-N 351.362 1.395 50 40 FDGB COc1ccc(S(=O)(=O)NNC(=O)Cc2ccc(F)cc2)cc1OC 7388134 ICMWXFDTFBQHLQ-UHFFFAOYSA-N 368.386 1.395 50 40 FDGB O=C(CCCn1cnc2ccccc2c1=O)NNC(=O)c1cccc(O)c1 9954513 UTPRWUJXXNGXSF-UHFFFAOYSA-N 366.377 1.344 50 40 FDGB Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)CCCl)cc21 408532826 RDSHYXXYEBBLBS-UHFFFAOYSA-N 352.822 1.281 50 40 FDGB O=S1(=O)C[C@@H](Br)[C@@](Br)(CBr)C1 5003858 VYFRZWPGXYCMAH-RFZPGFLSSA-N 370.888 1.707 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 1805641 MPXGQHZQNVVHBY-UDWIEESQSA-N 360.458 1.571 50 40 FDGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)Nc2ccccn2)cc1 100527437 JHQFUMLXFZCCDM-WSDLNYQXSA-N 369.381 1.550 50 40 FDGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O 27519339 WDZSOWOJAGSBFE-LZYBPNLTSA-N 360.282 1.981 50 40 FDGB COc1cccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1O 8168729 QVVLLEVGUBMMOZ-HXJASHHUSA-N 353.378 1.904 50 40 FDGB CCOC(=O)N1CCN(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)CC1 101388732 IGSUHMXLMVVELH-YPKPFQOOSA-N 358.398 1.815 50 40 FDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)cc1 4851042 IEJNQBYMDVZGJZ-INIZCTEOSA-N 353.378 1.376 50 40 FDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C)c1 8571362 KOORXSYYRZRLKA-SRZZPIQSSA-N 368.393 1.209 50 40 FDGB COc1cc(N(CCCl)CCCl)ccc1/C=N/Nc1nncn1N 104078411 HSUMOTRJCMUGTN-GIJQJNRQSA-N 372.260 1.731 50 40 FDGB Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1 8778795 YHYSVWABTCJFHS-UHFFFAOYSA-N 366.349 1.544 50 40 FDGB O=C(COc1ccccc1)NCC(=O)NNC(=O)c1ccc(Cl)cc1 5704660 JIDYMSNCRGNFQT-UHFFFAOYSA-N 361.785 1.296 50 40 FDGB COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1ccc(F)cc1 9385362 OCWYKMQVFQNCCI-UHFFFAOYSA-N 358.372 1.297 50 40 FDGB O=C(CN1CCCS1(=O)=O)NN=C(c1ccccc1)c1ccccc1 84517753 JFEUOQNTEMXFGN-UHFFFAOYSA-N 357.435 1.591 50 40 FDGB CC1=C(C#N)C(=O)NC(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 101429831 WHCSACAJUBKBFO-NTUHNPAUSA-N 373.324 1.710 50 40 FDGB COc1ccc(OCC(=O)N/N=C/c2ccccc2OCC(=O)O)cc1 1433671 SSLRRYUPXWJYSG-VXLYETTFSA-N 358.350 1.688 50 40 FDGB CSc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1 28287063 RDBJMFFIZGNWDF-UHFFFAOYSA-N 367.774 1.835 50 40 FDGB COc1ccc(N2CCN(C(=O)NNC(=O)c3cccs3)CC2)cc1 9316873 RTFOAEOKPKDJPV-UHFFFAOYSA-N 360.439 1.933 50 40 FDGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1ccccc1O 408732149 STMQKPNVUNODLS-VIZOYTHASA-N 353.791 1.114 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1[N+](=O)[O-] 59434092 PNLJNRQHFKYHNZ-GIJQJNRQSA-N 360.301 1.831 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 104847059 SXBIOPPAOKIGQD-KAMYIIQDSA-N 358.354 1.677 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1 3062157 UEXPBVOOWPJTBC-FYJGNVAPSA-N 355.394 1.513 50 40 FDGB O=C(NNC(=O)N1CCN(c2ccccc2Cl)CC1)c1cnccn1 10363740 QHHSCYZQPIYNIT-UHFFFAOYSA-N 360.805 1.307 50 40 FDGB CCOC(=O)Cn1c(Cl)c(/C=N/NC(=O)c2ccccc2)sc1=O 4942508 SLKBKEMQVYGAPZ-CAOOACKPSA-N 367.814 1.890 50 40 FDGB Cc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)c(C)c1 1357488 KCBRYPVLZKKTPD-UHFFFAOYSA-N 372.410 1.425 50 40 FDGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(OCC(=O)O)c2)cc1 6562974 SPMLYFSXDQJMGN-VXLYETTFSA-N 355.350 1.872 50 40 FDGB O=CC[C@]12CC(=O)O[C@H](C1)[C@H](I)CC21OCCO1 8665420 SQTGZVRXPZKCRG-FXPVBKGRSA-N 366.151 1.218 50 40 FDGB O=C(N/N=C/c1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 12346408 XUEZABDBCNKJRT-OOWUWCJESA-N 372.450 1.633 50 40 FDGB COc1ccc(OC)c(N2C(=O)C[C@H](NNC(=O)c3ccccc3)C2=O)c1 100097104 XGHKOIKZFZGQJT-AWEZNQCLSA-N 369.377 1.270 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)NCC2(c3ccccc3)CCC2)n1 45372683 QPHQLWIKATURFN-UHFFFAOYSA-N 355.442 1.952 50 40 FDGB COc1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(O)c1 409391554 JREWXIPBHQIWNO-REZTVBANSA-N 359.294 1.802 50 40 FDGB O=C(NN[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O)c1ccccc1 32603879 SIVZFDWGWMPBAM-MRXNPFEDSA-N 368.437 1.964 50 40 FDGB O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)NCCc2c[nH]c3ccccc23)C1 575424751 WQVOGOCJRHVFCP-OCCSQVGLSA-N 371.915 1.579 50 40 FDGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1O 6327576 KIKSNGLBIATCAL-GIDUJCDVSA-N 358.192 1.138 50 40 FDGB Cc1ccccc1OCC(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1801232 YMZVNEYKGHOYMC-UHFFFAOYSA-N 374.309 1.651 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 7927971 FQMXWVGFWKXFFF-CYBMUJFWSA-N 368.349 1.409 50 40 FDGB Cc1ccc(S(=O)(=O)CC(=O)NNC(=O)c2ccccc2Cl)cc1 8475392 URIIRFQASIACMZ-UHFFFAOYSA-N 366.826 1.883 50 40 FDGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)O)cc1 58882311 QMPPOHXOCYVTCD-HSWQHBDASA-N 371.393 1.544 50 40 FDGB COc1cc(/C=N/NC(=O)CSc2ccccn2)ccc1OCC(N)=O 1066647 VNGBOSDLHALGCI-AWQFTUOYSA-N 374.422 1.197 50 40 FDGB O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1ccc(Br)o1 4473855 BSTGYVZGQCXXRZ-JGVFFNPUSA-N 357.160 1.470 50 40 FDGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(Br)cc1 4670592 UQJKWNLNODBOKA-OPFCKLNOSA-N 354.204 1.194 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)CN2CCOCC2)cc1Br 27527993 PLBURCPKQJVELP-LICLKQGHSA-N 369.263 1.297 50 40 FDGB Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n1 408992071 ZLGNLSVJLDLAGL-VCHYOVAHSA-N 365.353 1.707 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl 869528 KMHNKUWMUIAYIQ-UHFFFAOYSA-N 355.759 1.872 50 40 FDGB Cc1ccc(NC(=S)NNC(=O)CCn2ccc([N+](=O)[O-])n2)c(C)c1 2795740 QSVLADPPYVCDSP-UHFFFAOYSA-N 362.415 1.816 50 40 FDGB CCOc1ccc(C(=O)CCC(=O)NNC(=O)Cn2nc(C)cc2C)cc1 8292298 QWHBERNPHRQUAC-UHFFFAOYSA-N 372.425 1.709 50 40 FDGB NC(=O)CCn1cc(/C=N/NC(=O)CNC2CCCCC2)c2ccccc21 409372444 ZEOKPPDICGWNLH-FSJBWODESA-N 369.469 1.889 50 40 FDGB COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC)cc2)cc1 2316308 IDFHVMUWXLIPPP-UHFFFAOYSA-N 359.407 1.653 50 40 FDGB Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccccc3)C2=O)c1 408536193 QGBRJJLAENDUNX-PZUDMAOCSA-N 364.361 1.610 50 40 FDGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc2c(c1)OCO2 813227 XIXNERAJVDXYRG-UBKPWBPPSA-N 357.278 1.816 50 40 FDGB COc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 6053865 BLCYKJUHDUOKKV-FMIVXFBMSA-N 354.362 1.713 50 40 FDGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)C[n+]1ccccc1 16957738 OYPRUSZGALXPIW-CPNJWEJPSA-O 356.362 1.403 50 40 FDGB Cc1cccc(NCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)c1 4358797 FMUGPEYMCUIGAX-UHFFFAOYSA-N 353.338 1.788 50 40 FDGB IC[C@H]1OCCO[C@@H]1CI 6185661 VPRQQKITYSDVEH-PHDIDXHHSA-N 367.952 1.640 50 40 FDGB COc1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(OC)c1 59463266 NTEIWOAJUXHSCG-AWQFTUOYSA-N 357.366 1.995 50 40 FDGB CO[C@@H](C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2064424 HKWKIQYLJNSVNA-CQSZACIVSA-N 365.367 1.292 50 40 FDGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)[C@H]1COc2ccccc2O1 3334217 QWWCJHYBLNESQU-DBRLUCFCSA-N 367.405 1.813 50 40 FDGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3cc(C)oc3C)C2=O)cc1 95351889 FMCGAHSIYMCTAF-HNNXBMFYSA-N 357.366 1.472 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1[N+](=O)[O-] 5514438 BTKFXXOVPOBREB-YBFXNURJSA-N 356.338 1.370 50 40 FDGB Cn1/c(=N\NC(=O)Cn2ncc3ccccc3c2=O)sc2ccccc21 104568399 HYSWCPJAUUSXGR-DYTRJAOYSA-N 365.418 1.582 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 3062193 MPMBSHQQDXCWQU-FYJGNVAPSA-N 353.378 1.282 50 40 FDGB O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)c1cc(-c2ccccc2)n[nH]1 4066973 WWERWPLERWTGNT-CXUHLZMHSA-N 360.351 1.680 50 40 FDGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)c1 6282116 TYHIMPXBPPEAHD-LZYBPNLTSA-N 352.368 1.672 50 40 FDGB CC(=O)Nc1nnc(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)s1 408732522 WGDRLLHQXGUGRO-CAOOACKPSA-N 356.411 1.979 50 40 FDGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)c1 408864929 ADKUQHMVKPULCN-YBFXNURJSA-N 360.439 1.615 50 40 FDGB CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1 30577362 VCAJUQZKNBJPKD-CYBMUJFWSA-N 367.833 1.898 50 40 FDGB O=C(COc1ccccc1Cl)NNC(=O)[C@@H]1COc2ccccc2O1 6328198 AAXPESDUKJLSSS-HNNXBMFYSA-N 362.769 1.706 50 40 FDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])ccc1O 3102392 QXBRVYNTFQEZHD-LZYBPNLTSA-N 360.282 1.738 50 40 FDGB O=C(O)COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(F)cc1 2277282 BTQCBWVHGGJAOC-ZVBGSRNCSA-N 373.340 1.169 50 40 FDGB COc1ccccc1C(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4313573 ZYHVRQFNOPJIEW-UHFFFAOYSA-N 351.340 1.227 50 40 FDGB Cc1nc(CC(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2)cs1 7159587 MZNCEHYWQXNESF-UHFFFAOYSA-N 351.413 1.920 50 40 FDGB COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC 409344428 GUNUFTFJJNNPCX-VHWUNXFSSA-N 359.338 1.796 50 40 FDGB COc1ccc(C(=O)N/C(=C\c2ccc(OC)c(OC)c2)C(=O)NN)cc1 4812559 BCNDGAUSAQYZFA-GDNBJRDFSA-N 371.393 1.473 50 40 FDGB O=C1CCC/C(=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 103457726 VPSRCSPLRMFFTB-JXAWBTAJSA-N 363.439 1.700 50 40 FDGB CCN1C(=O)/C(=N\NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 13582351 QJLMJJIDCFCZTG-SBCIHWNMSA-N 351.362 1.713 50 40 FDGB Cc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)[nH]n1 6320618 CEPAAFBCTQPINA-LHHJGKSTSA-N 368.147 1.858 50 40 FDGB NC(=O)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 217038082 STCBWGSCPFTVJY-FRKPEAEDSA-N 356.791 1.414 50 40 FDGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 15229457 LBUAITCFHXFQRP-HYARGMPZSA-N 369.421 1.868 50 40 FDGB C[C@H](C(=O)NNC(=O)c1cc2c(s1)CCCCCC2)S(C)(=O)=O 45876724 XFVNVQXWRGOKPC-SNVBAGLBSA-N 358.485 1.601 50 40 FDGB COC(=O)[C@H]1C[C@H](I)CN1C(=O)OC(C)(C)C 2547795 VGFYULNTTQXRQU-JGVFFNPUSA-N 355.172 1.972 50 40 FDGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1C 4517027 FYEJEEQNVXLVQF-IBGZPJMESA-N 351.362 1.486 50 40 FDGB COc1ccc(C(=O)c2c(CBr)n(C)c(=O)n(C)c2=O)cc1 2196388 ZLHDCTAWMMVIGV-UHFFFAOYSA-N 367.199 1.219 50 40 FDGB O=C(Cc1ccccc1F)NNC(=O)c1csc(N2CCOCC2)n1 12803433 VPBVLOUMEITUFY-UHFFFAOYSA-N 364.402 1.123 50 40 FDGB CCCn1nc(C(=O)NNC(=O)C[C@H]2C=CCC2)c2ccccc2c1=O 8191994 LRFOTCGCLYNSES-ZDUSSCGKSA-N 354.410 1.924 50 40 FDGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)c2cccnc2)c2ccccc21 5823111 WJJZFNNAIOHKHN-QJOMJCCJSA-N 365.393 1.087 50 40 FDGB COc1cc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccccc2O)ccc1O 1633527 DNIZVVGRQYNGJF-CABCVRRESA-N 362.769 1.942 50 40 FDGB COc1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)c(OC)c1 4851667 DHPOKNIRRSFFJZ-CIAFOILYSA-N 356.382 1.255 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)CNC(=O)c2ccc(C)s2)cc1 33029162 MSIKFFSZQKWDCH-UHFFFAOYSA-N 361.423 1.321 50 40 FDGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cc(C)oc3C)C2=O)cc1 3346328 FMCGAHSIYMCTAF-OAHLLOKOSA-N 357.366 1.472 50 40 FDGB Cc1c(C(=O)NNC(=O)N2CCC3(CC2)OCCO3)oc2ccccc12 58220640 RBEMGOPLUYMQJM-UHFFFAOYSA-N 359.382 1.935 50 40 FDGB Cc1cc(/C=N/NC(=O)C(N)=O)c(C)n1-c1ccc(Br)cc1 408946561 YXGLBKCHIKSZSV-QGMBQPNBSA-N 363.215 1.792 50 40 FDGB N#Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c(F)c1 408965058 FWJZOSOOLYVOTH-CNHKJKLMSA-N 373.256 1.983 50 40 FDGB O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)NCc2ccccc2)[C@@H]13 100198284 FLYVDBOGXBTOMP-WCQYUDONSA-N 350.212 1.874 50 40 FDGB CO[C@H](CI)[C@H](CI)OC 4722388 XKAANJFSVANRGV-OLQVQODUSA-N 369.968 1.886 50 40 FDGB COCCNC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1 7062176 NLSDGJXPNDCYCF-UHFFFAOYSA-N 359.451 1.064 50 40 FDGB CCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccncc3)C2=O)cc1 1301725 DZMLMBGXYXQLJP-OAHLLOKOSA-N 354.366 1.047 50 40 FDGB COCCCNC(=O)CC(=O)N/N=C/c1cccc(Br)c1 59459635 NTPIIQWUWVZOLP-LICLKQGHSA-N 356.220 1.442 50 40 FDGB COc1cc(CC(=O)NNC(=O)c2ccccc2F)cc(OC)c1OC 3400650 YUIXCMLHQXHJSH-UHFFFAOYSA-N 362.357 1.855 50 40 FDGB COc1cc(C(=O)NNC(=O)CN2CCCCCC2)cc(OC)c1OC 16442702 CIVPNMJUJSLZMQ-UHFFFAOYSA-N 365.430 1.349 50 40 FDGB CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)CCO3)c1 27149848 KDBAEHMJWKXKJP-UHFFFAOYSA-N 360.391 1.100 50 40 FDGB O=C(C[C@@H](C(=O)O)c1ccccc1)NNC(=O)c1n[nH]c2c1CCCC2 10171153 WJFPDVVQXCCLAT-CYBMUJFWSA-N 356.382 1.308 50 40 FDGB COc1cccc(Oc2c[nH]nc2-c2ccc(OCC(=O)NN)cc2O)c1 18030691 KCOWACAZYHEWLV-UHFFFAOYSA-N 370.365 1.952 50 40 FDGB COc1ccc(CC(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 869535 RIQPCNUETSSUSU-UHFFFAOYSA-N 365.367 1.156 50 40 FDGB O=C(CCSCCCl)NCCNC(=O)CCSCCCl 4727192 NWIMUAYHCPQHHN-UHFFFAOYSA-N 361.360 1.943 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1 5586312 NMBCIQAHLCZCCE-LDADJPATSA-N 360.439 1.181 50 40 FDGB N=C1N(c2ccccc2)C(N)(N)SSC(N)(N)N1c1ccccc1 19319266 ZQPBDOAVOFIXJQ-UHFFFAOYSA-N 361.500 1.387 50 40 FDGB Cc1ccc(NC(=O)NCCCl)cc1S(=O)(=O)N1CCOCC1 4934387 PXFFGDDVDHDMEK-UHFFFAOYSA-N 361.851 1.376 50 40 FDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1C(=O)O 58884909 BXQBSDNISOAWOU-YBFXNURJSA-N 355.350 1.872 50 40 FDGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1OC 58885031 GTQDXOFFNMGLSA-VCHYOVAHSA-N 372.337 1.701 50 40 FDGB COC(=O)/C=C1\SC(NNC(=O)c2ccc(Cl)cc2Cl)=NC1=O 12631383 SIAVRLCOOYZBLX-UITAMQMPSA-N 374.205 1.914 50 40 FDGB O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1[N+](=O)[O-] 2134526 RIHBTDCYWXPUEA-UHFFFAOYSA-N 360.282 1.343 50 40 FDGB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)Cc1ccccc1 40160183 PNQCLBXYQKLUBT-GFCCVEGCSA-N 359.813 1.848 50 40 FDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)c1 5334001 SZHUABMQDRGRDN-UDWIEESQSA-N 370.409 1.859 50 40 FDGB CC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)c2ccccn2)cc1 17329202 MNJUNALPJCUFGM-UHFFFAOYSA-N 354.410 1.570 50 40 FDGB CCOC(=O)[C@H]1[C@@H](C(=O)NN)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 4348078 DNIWNXWOSLJJSB-OUAUKWLOSA-N 359.304 1.059 50 40 FDGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 408901001 ZDOAEMZZKIRXHO-VCHYOVAHSA-N 353.338 1.549 50 40 FDGB CC(C)C(=O)NNC(=O)c1cn(-c2cccc(Br)c2)nn1 40087925 BNFWSFILNBFTCR-UHFFFAOYSA-N 352.192 1.447 50 40 FDGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccco2)c(C)c1 6607069 WOWFFJDUXLBZRJ-VCHYOVAHSA-N 363.439 1.976 50 40 FDGB Cc1ccsc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 9366129 UCEHUGSGQLLBSQ-UHFFFAOYSA-N 352.441 1.424 50 40 FDGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)Cc1ccccc1 33615890 OVKZJZVVMBJPFH-UHFFFAOYSA-N 363.439 1.184 50 40 FDGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)NCc4ccccc4)[C@@H]13)[C@H]2Br 100198279 FLYVDBOGXBTOMP-HUXGKSLCSA-N 350.212 1.874 50 40 FDGB C[C@@H](Oc1ccccc1)C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 971838 QHXOQLHLAFXSIO-LLVKDONJSA-N 365.367 1.372 50 40 FDGB O=C(N/N=C/c1ccncc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 6496060 FHUFMNHKPVNCIS-XSFVSMFZSA-N 372.450 1.633 50 40 FDGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 42872239 UEUMARWCNKYIOD-DLUQRMLASA-N 369.487 1.110 50 40 FDGB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)c1cccc(Cl)c1 40143819 MPMGLQXRNXZWJH-UHFFFAOYSA-N 371.802 1.272 50 40 FDGB CCc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 2656214 TUHXANLAETWFQL-QGZVFWFLSA-N 367.405 1.824 50 40 FDGB COC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 107826351 ZOFLVXLFGOOOAR-ODLFYWEKSA-N 371.349 1.839 50 40 FDGB COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1O 2278225 RADXNFAQNYLTIV-DNTJNYDQSA-N 371.349 1.010 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1nn(C)c(C)c1Br 252478934 AXPGHKYXUYELNW-PJQLUOCWSA-N 357.187 1.436 50 40 FDGB Cn1cc(Br)c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n1 1086917 BMOGRZBEKLYYPV-MKMNVTDBSA-N 352.148 1.855 50 40 FDGB COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 6544450 XRFZEGHCSDMEKX-LDADJPATSA-N 361.423 1.466 50 40 FDGB Cc1cc(C)cc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 102217160 TVWVBTKSFTUENS-JBJRXJHCSA-N 372.421 1.741 50 40 FDGB O=C1[C@H](Cl)[C@H](N2CCOCC2)C(=O)C(Cl)(Cl)C1(Cl)Cl 23230715 BKDGUUUHJSSMQN-RITPCOANSA-N 369.459 1.794 50 40 FDGB Cc1cccc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 8734701 HJZMQPDYOWEQPU-UHFFFAOYSA-N 360.439 1.671 50 40 FDGB CN1C(=O)/C(=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c2ccccc21 4721348 WOYURJKQYGAVFD-SIYZTWRKSA-N 362.389 1.013 50 40 FDGB O=C(O)COc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1 409366882 ZXUGNLDGOBEUMK-JAIQZWGSSA-N 370.361 1.614 50 40 FDGB CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 584952533 OPZWMPCHODRMFC-LJQANCHMSA-N 352.243 1.276 50 40 FDGB Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 575426339 RFNQKMDWFCXTHJ-ZJUUUORDSA-N 358.268 1.331 50 40 FDGB Cc1ccccc1C(=O)NNC(=O)CSc1nc2ccccc2c(=O)[nH]1 15985332 LUAQZUPZCWSPDH-UHFFFAOYSA-N 368.418 1.785 50 40 FDGB O=C(NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C1CCC1 6079353 MKBWXBQJFZPKAS-UHFFFAOYSA-N 368.415 1.623 50 40 FDGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(N3C[C@H](C(=O)Cl)CC3=O)cc2)C1 100680501 QGDATRIUQFFBAS-AOOOYVTPSA-N 369.204 1.923 50 40 FDGB CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)c1C 12600681 SNUHAYKXLDVCLP-YRNVUSSQSA-N 355.402 1.706 50 40 FDGB COC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@H](C)C2)nc2ccccn2c1=O 13659674 YTNRUFWPXLBSGI-DAYCUQBRSA-N 368.393 1.388 50 40 FDGB CC1(C)OC(=O)C(=CNNC(=O)c2ccc(Br)cc2)C(=O)O1 6933842 CDGSXLCMIJXKAK-UHFFFAOYSA-N 369.171 1.404 50 40 FDGB COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc3c(c2)OCCO3)C1=O 9306603 JHSDXPAPHJDPFS-PTNGSMBKSA-N 369.377 1.609 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C 408968667 AUOCFGGCHVXGKP-CIAFOILYSA-N 356.426 1.615 50 40 FDGB Nc1c(C(=O)NNC(=S)NC[C@@H]2CCCO2)sc2ncccc12 19894299 GXKYYUNKFPCNSE-QMMMGPOBSA-N 351.457 1.166 50 40 FDGB Cc1cc(C)cc(O[C@@H](C)C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 102217150 TVWVBTKSFTUENS-WAXYHTEFSA-N 372.421 1.741 50 40 FDGB O=C(NNC(=O)[C@H]1CCCN1c1nccs1)[C@H]1COc2ccccc2O1 96998185 GNEPHYSAHYSJGG-BXUZGUMPSA-N 374.422 1.099 50 40 FDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(O)c2)cc1 28617762 ZDMGPOJUCINICN-WQRHYEAKSA-N 361.423 1.471 50 40 FDGB Cc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)cc1C 409183948 GREZZUHKNGGTKE-UHFFFAOYSA-N 366.487 1.267 50 40 FDGB Cc1nn(C)cc1/C=N/NC(=O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1086826 UPAQJNGQMDMOBY-GIJQJNRQSA-N 367.369 1.645 50 40 FDGB OCCN(CCO)c1ncnc2c1ncn2-c1ccc(CCCl)cc1 1657443 UOURVQKZGJNRQS-UHFFFAOYSA-N 361.833 1.388 50 40 FDGB Cc1ccccc1-n1nnnc1SCC(=O)N/N=C/c1ccccc1O 3342576 PGAFAROSKUQRLF-VCHYOVAHSA-N 368.422 1.919 50 40 FDGB Cc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)n1C 3445264 KNEKJJXLRZUIBC-UHFFFAOYSA-N 369.834 1.095 50 40 FDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 409248080 BUYVXYMIIKHAJW-MQMKENTISA-N 374.441 1.053 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)cc1C(=O)O 13348860 NCSLIYQVDDNJQN-UHFFFAOYSA-N 368.798 1.970 50 40 FDGB COc1cccc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 2656445 WSTQDJXNXHYURQ-ZHACJKMWSA-N 354.362 1.713 50 40 FDGB Cc1[nH]nc2c1[C@@]1(C(=O)Nc3cc(Br)ccc31)C(C#N)=C(N)O2 1053112 HBZPKNNVZWNSFG-HNNXBMFYSA-N 372.182 1.805 50 40 FDGB O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885107 AGNNNAHWACIYKL-CAOOACKPSA-N 356.294 1.412 50 40 FDGB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1cccs1 3369856 FLUNZQBTMHPPJL-UHFFFAOYSA-N 360.391 1.943 50 40 FDGB Cn1cccc1C(=O)NNC(=O)c1ccc(I)cc1 12816534 FQHHRAWHZNBFTP-UHFFFAOYSA-N 369.162 1.705 50 40 FDGB CC(C)(C)NC(=O)NC(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1 5297237 UMFAXDRGAYYXAW-SECBINFHSA-N 363.443 1.375 50 40 FDGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc2c1OCO2 18266166 BQRJGOFZJSKFOO-AWEZNQCLSA-N 353.334 1.639 50 40 FDGB biogenic O=C(CN1CCCc2ccccc21)NNC(=O)c1ccc2c(c1)OCO2 8029661 DKXNAKKIYKWZBP-UHFFFAOYSA-N 353.378 1.629 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] 2051987 KLRJVNBSHDNYGP-UHFFFAOYSA-N 360.282 1.586 50 40 FDGB CN(C)N(C(=O)COc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 5298376 MCWAYFYTOCVWRV-MRXNPFEDSA-N 362.451 1.711 50 40 FDGB O=C(N/N=C/c1ccc2c(c1)OCCO2)c1n[nH]c(=O)c2ccccc12 5267370 KIRRQDJXAMSQPG-VXLYETTFSA-N 350.334 1.458 50 40 FDGB Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccco1 7420312 VWEGJQMJWNSSNU-UHFFFAOYSA-N 359.201 1.974 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(OC)cc2O)cc1 409391930 MDPJWTSGSALKRE-VXLYETTFSA-N 358.350 1.717 50 40 FDGB O=C(NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)c1ccc(Br)o1 101088137 DEVBDPVDCFRFSB-NIUASQORSA-N 371.187 1.550 50 40 FDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCC(=O)N2 13001652 WCMABYVCMZUOIM-SNVBAGLBSA-N 373.340 1.385 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1 103141782 NZPKHVRAHPRKQG-OWBHPGMISA-N 350.396 1.027 50 40 FDGB C/C=C/C=C/C(=O)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 8166862 BOPBNMPKGDQWQP-TTWWKFCBSA-N 371.418 1.628 50 40 FDGB COc1cccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c1O 408771137 FOSXIMOLHCQMHW-FYJGNVAPSA-N 369.421 1.997 50 40 FDGB C[C@H]1Oc2ccccc2C=C1/C=C(\C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 4193249 UQGVQWDRJWTPPX-TVAFTARASA-N 358.419 1.604 50 40 FDGB COc1cccc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)c1O 4132510 UPCKBKIJQBJFIH-XYHOIZSOSA-N 367.405 1.867 50 40 FDGB Cc1cc[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2ccccc2O)cc1 13739286 DRILACDWDIFHLB-UHFFFAOYSA-O 355.399 1.491 50 40 FDGB Cc1ccc(N2C(=O)[C@@H](/C=C(\C#N)C(=O)N(C)C)C(=O)NC2=S)cc1C 103885216 SBEKDKNSGYKBPS-BCNIOPEESA-N 370.434 1.206 50 40 FDGB N#C[C@H](/N=N\c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1cccnc1 100643968 NUIAEYWEFPXZJO-UNQMGURYSA-N 353.298 1.427 50 40 FDGB COCc1cc(C)n(CC(=O)N/N=C/c2cccc(OC)c2)c(=O)c1C#N 98087306 WUCSIFFKZQBTTF-UFFVCSGVSA-N 368.393 1.334 50 40 FDGB C=CCN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 100903115 MHLRZJYBHHLMOK-SPGGGKMGSA-N 363.373 1.880 50 40 FDGB COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O1 4364815 FUQUKDYKLKPJPR-AWEZNQCLSA-N 373.321 1.393 50 40 FDGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CN(C)C(=O)c2ccco2)c1C 37150344 WFKYTDZDAFINBH-AWEZNQCLSA-N 373.409 1.583 50 40 FDGB CS(=O)(=O)OCCCO[P@](N)(=O)N(CCCl)CCCl 104196813 RSSBMPZDWTWXLV-SFHVURJKSA-N 357.196 1.216 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1 104844703 ZIFAVKDDVUZSCN-SUIFULHWSA-N 364.789 1.308 50 40 FDGB N#C[C@@H](/N=N\c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1cccnc1 68602549 NUIAEYWEFPXZJO-LTFJSZEESA-N 353.298 1.427 50 40 FDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccccc1O 9360999 RCFOHSHOZOEVEE-GIJQJNRQSA-N 370.373 1.216 50 40 FDGB CC[C@H](C)c1ccccc1OCC(=O)NNS(=O)(=O)c1cn[nH]c1 75092750 PSFTXFXNXGIBEA-NSHDSACASA-N 352.416 1.312 50 40 FDGB COc1ccc2ccc(OC)c(/C=N\NC(=O)CN3CCOCC3)c2c1 15224897 HVHCOHYIIUXAAW-NDENLUEZSA-N 357.410 1.639 50 40 FDGB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)C1CC1 17076555 YCWQPNYIDPOJFG-YBEGLDIGSA-N 374.372 1.396 50 40 FDGB N#C[C@@H](/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1cccnc1 100643966 NUIAEYWEFPXZJO-NIVDNSEKSA-N 353.298 1.427 50 40 FDGB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 102633230 BOKPIFOYLOPBTM-FLIMDHOOSA-N 358.438 1.873 50 40 FDGB CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)CC(C)C)ccc1C 14201978 XRKQEUGUEUADCO-UHFFFAOYSA-N 369.487 1.833 50 40 FDGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1 409138099 ZXCODCUCHBFUHW-LSDHHAIUSA-N 374.418 1.721 50 40 FDGB Cc1nc(SCC(=O)NNC(=O)c2ccccc2)sc1CC(N)=O 40025068 YGQSLWKFLXKXBP-UHFFFAOYSA-N 364.452 1.033 50 40 FDGB CCOC(=O)CC[C@@H](NC(=O)N(CCCl)CCCl)C(=O)OCC 5574712 KUUQRDOEPCWRKX-LLVKDONJSA-N 371.261 1.751 50 40 FDGB O=C(NNC(=O)C1[C@H]2CCCC[C@@H]12)c1coc(=O)c(Br)c1 18098842 AKDOOCKFYTWJRI-SLHIUPAKSA-N 355.188 1.600 50 40 FDGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])n1 8336658 OLYIWSLKBIWLCM-FRKPEAEDSA-N 361.383 1.950 50 40 FDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc(Cl)ccc1O 1436724 KUDDLSDGZPUXPN-GIJQJNRQSA-N 356.773 1.849 50 40 FDGB O=C(NNC(=S)NCCCN1CCOCC1)c1ccc(Cl)cc1 25180184 XKAUETUKULPTPS-UHFFFAOYSA-N 356.879 1.171 50 40 FDGB COc1ccc(NCC(=O)NNC(=O)CCOc2ccccc2OC)cc1 3302639 ABMWVMCRBWEXSO-UHFFFAOYSA-N 373.409 1.732 50 40 FDGB COc1cc(OC)cc(C(=O)NN[C@H]2CC(=O)N(CCC(C)C)C2=O)c1 3413196 YPQPSIUXOJYQQJ-HNNXBMFYSA-N 363.414 1.112 50 40 FDGB O=C(NNS(=O)(=O)c1cccc(F)c1)c1ccc2c(c1)OCCO2 12922058 ZTWFNOAGEZPTHN-UHFFFAOYSA-N 352.343 1.220 50 40 FDGB CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 13265094 WSNDKVQFJUJNFX-UHFFFAOYSA-N 364.379 1.407 50 40 FDGB C[C@@H]1CCO[C@H]1C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 95942907 RDCBTOYJFQJSLT-CHWSQXEVSA-N 370.450 1.047 50 40 FDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(O)cc2)cc1 39986619 MXGRYFGCIGLYPV-WQRHYEAKSA-N 361.423 1.471 50 40 FDGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1ccc(Cl)cc1 2318341 DPWHIYGVFCQPSF-MSGYXIIISA-N 373.796 1.746 50 40 FDGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 6647881 YHTLGPGHQHFPRL-FYJGNVAPSA-N 374.441 1.054 50 40 FDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1Nc1ccccc1 9752231 YUGRXVRBXFGZMU-ZDUSSCGKSA-N 373.434 1.626 50 40 FDGB CCCNC(=O)[C@H](C)NC(=O)C(=O)NNc1ccc(Cl)cc1Cl 57986031 AUNRUYIVXYYZTJ-QMMMGPOBSA-N 361.229 1.467 50 40 FDGB CCOC(=O)COc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 4544664 YNEINLYZOJILIS-WOJGMQOQSA-N 350.371 1.232 50 40 FDGB CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2ccnn2C)s1 6956180 QNTRLLPMXOPIFO-UHFFFAOYSA-N 367.456 1.462 50 40 FDGB CCOC(=O)c1ccc(N2N=C(NC(C)=O)[C@H](Br)C2=O)cc1 100998413 CZQUAMHPNFSMCW-NSHDSACASA-N 368.187 1.423 50 40 FDGB COc1cccc(OC)c1C(=O)NC(=S)NNC(=O)c1cccs1 8168512 WRRUAYJGRLWZNV-UHFFFAOYSA-N 365.436 1.715 50 40 FDGB C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 3293828 DFLSTQQBFSUWGF-SNVBAGLBSA-N 371.780 1.786 50 40 FDGB Cc1ccc(OCc2nc(C(=O)NNC(=O)C(=O)NC3CC3)cs2)cc1 10024429 HGKQDOIWYCMIDL-UHFFFAOYSA-N 374.422 1.070 50 40 FDGB Nc1nccnc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 10136409 OJWQVDFBQSEOGT-UHFFFAOYSA-N 363.377 1.713 50 40 FDGB O=C(CN1CCCCCC1=O)N/N=C/c1c(Cl)nc2sccn12 6956081 WCNOFEGAICBZCP-LZYBPNLTSA-N 353.835 1.902 50 40 FDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cncn1-c1ccccc1 21782625 RRIPHQBZBSTNIV-QGZVFWFLSA-N 364.361 1.473 50 40 FDGB COc1ccc(C(=O)NNC(=O)C(=O)N[C@H](C)c2ccccc2)cc1OC 3669663 QUXASLMZBYTPBZ-GFCCVEGCSA-N 371.393 1.342 50 40 FDGB N#CC1(C#N)C[C@@]2(O)NC(=O)[C@@]1(C#N)[C@@H](c1ccccc1)[C@H]2Br 102991263 PHHURESSVHMUKY-OJDYBEQGSA-N 371.194 1.299 50 40 FDGB COc1cccc(OCC(=O)NN[C@H]2CC(=O)N(c3ccccc3)C2=O)c1 100572050 ALFJQZYGHVIPMU-INIZCTEOSA-N 369.377 1.027 50 40 FDGB CCn1nc(C(=O)NNC(=O)c2sc(C)nc2C)c2ccccc2c1=O 44566302 YITURHMISDNRID-UHFFFAOYSA-N 371.422 1.565 50 40 FDGB CCS(=O)(=O)[C@H](I)[C@@H](O)c1ccc(N)cc1 96519250 HWHOOFCMGSWJBJ-UWVGGRQHSA-N 355.197 1.498 50 40 FDGB C[C@H]1O[C@@H](Cl)C[C@@H](NC(=O)C(F)(F)F)[C@H]1OC(=O)C(F)(F)F 5493116 YARBQFHYGPNYKO-KAZBKCHUSA-N 357.634 1.881 50 40 FDGB COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(OC)c(OC)c1 5514965 BMCSZQNNLCLIKL-YBFXNURJSA-N 357.366 1.801 50 40 FDGB CCOc1cccc(N2C(=O)C[C@H](NNC(=O)c3ccncc3)C2=O)c1 100953564 YHDIRDZNLOVEEF-HNNXBMFYSA-N 354.366 1.047 50 40 FDGB CCOC(=O)N(CCCCCCN(C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-] 4778143 PSBAURNYAWRWIS-UHFFFAOYSA-N 350.328 1.847 50 40 FDGB O=C(CSc1nnc(NC2CC2)s1)NNC(=O)c1ccc(F)cc1 12856559 LZLSCCAUVJJMJU-UHFFFAOYSA-N 367.431 1.805 50 40 FDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1 7955367 AAMAAFQYCLPTGJ-MRXNPFEDSA-N 372.446 1.401 50 40 FDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@H]1C[C@H]2CC[C@H]1C2 245228744 DSLNZSKLJWYIQW-XEAJROJZSA-N 362.904 1.511 50 40 FDGB CC(C)c1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1 20623422 UOPICHLYHLTQDX-KGENOOAVSA-N 360.458 1.099 50 40 FDGB Cc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1C 1357493 DJBHFDOSXSHNSY-UHFFFAOYSA-N 372.410 1.425 50 40 FDGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1 8204850 NLOYVWGDYZFFEM-AWEZNQCLSA-N 355.369 1.948 50 40 FDGB CCOc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc(OC)cc1 7812062 HSMFXOIKGKCNHI-FYJGNVAPSA-N 355.394 1.860 50 40 FDGB CN1C(=O)/C(=N/NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c2ccccc21 4721354 WOYURJKQYGAVFD-FYJMMVTLSA-N 362.389 1.013 50 40 FDGB Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCCN2C2CCOCC2)c1 89677545 GWQPUVCYBUDONF-KRWDZBQOSA-N 361.442 1.165 50 40 FDGB CS(=O)(=O)[C@@H](I)[C@H](O)c1ccc([N+](=O)[O-])cc1 96519165 SSYMDSOEQFXBPN-RKDXNWHRSA-N 371.152 1.434 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 3089107 JSCGFOZRDWMOOU-LPYMAVHISA-N 369.421 1.787 50 40 FDGB C/C(=N\NC(=O)c1nn(C)cc1Br)c1cc(O)ccc1O 102307765 XLTCBGMADXCNKN-VIZOYTHASA-N 353.176 1.748 50 40 FDGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](C)O)cc2)cc1 58882245 ITZGMSYXOLGADS-HXJASHHUSA-N 355.394 1.843 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H](C)n1cc(Br)cn1 252496508 PKDOLJMAPMPOIT-PDMWYYABSA-N 357.187 1.538 50 40 FDGB CSCC[C@H](NC(N)=O)C(=O)NNC(=S)Nc1ccccc1C 5701856 XBAJDHHYPZEQTF-NSHDSACASA-N 355.489 1.103 50 40 FDGB O=CN/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1 16805095 INVDOTHCUSWPPP-SECBINFHSA-N 371.216 1.026 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(O)c1)Cc1ccccc1 6584674 ACIZATUTVSYXDU-WOJGMQOQSA-N 361.423 1.304 50 40 FDGB O=C(CN1CCOCC1)N/N=C\c1ccc(I)cc1 59246398 FTAMHRAHVHLLBB-DHDCSXOGSA-N 373.194 1.074 50 40 FDGB CC1(C)Cc2c(c(N3CCCC3)nc3sc(C(=O)NN)c(N)c23)CO1 13563379 UMYFOUOVYJWBDT-UHFFFAOYSA-N 361.471 1.934 50 40 FDGB Cc1cc(C)n2nc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3O)nc2n1 33930145 PPODWGVHIZESNS-APSNUPSMSA-N 355.314 1.119 50 40 FDGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccccc1C(=O)O 4132503 OVIIXQKUAYGMGR-BTZNOAQDSA-N 365.389 1.851 50 40 FDGB NC(=O)[C@@H]1CC(C(=O)NNc2cccc(Cl)c2)=NN1c1ccccc1 30807382 PGLCYVZXUWMQKV-HNNXBMFYSA-N 357.801 1.903 50 40 FDGB COC(=O)CC1=C(C(=O)OC)[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O1 4364810 FUQUKDYKLKPJPR-CQSZACIVSA-N 373.321 1.393 50 40 FDGB C=CCOC(=O)C1=C(C)N(C)C(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12 4517080 MCWYUWUCIHXTKR-IBGZPJMESA-N 351.362 1.486 50 40 FDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 6497030 MESMPPSOVGQNMM-CIAFOILYSA-N 368.393 1.290 50 40 FDGB O=C(CCn1c(S)nnc1-c1cccs1)NNC(=O)c1ccccn1 10025151 XOIHELPMDVTSFC-UHFFFAOYSA-N 374.451 1.542 50 40 FDGB O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1cnccn1 5949414 BOGYQQFDMWLJEQ-BNCCVWRVSA-N 366.131 1.617 50 40 FDGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1C 4517029 FYEJEEQNVXLVQF-LJQANCHMSA-N 351.362 1.486 50 40 FDGB COc1ccccc1OCC(=O)N/N=C/c1ccccc1OCC(=O)O 1433689 UNNQSDWOUWBKAD-VXLYETTFSA-N 358.350 1.688 50 40 FDGB CCn1nc(C(=O)NNC(=O)c2cc(F)ccc2F)c2ccccc2c1=O 12986576 LMNSUPLXIMCVEV-UHFFFAOYSA-N 372.331 1.769 50 40 FDGB NC(=O)N/N=C/c1cc(Br)c(I)o1 4513062 DLYUXGHCBGUYLY-WTDSWWLTSA-N 357.933 1.649 50 40 FDGB CNC(=O)c1cccc(N[C@H](C)C(=O)NNC(=O)c2cccc(Cl)c2)c1 9114813 UYGHSRDJZQZGTN-LLVKDONJSA-N 374.828 1.961 50 40 FDGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)c1 8335592 CMGOJQCVQGGRAN-YBFXNURJSA-N 360.439 1.615 50 40 FDGB O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)CCN1CCCCC1 2690750 COOSKZUMBASJHQ-MDZDMXLPSA-N 360.483 1.598 50 40 FDGB Cc1ccnc(N2CCC(C(=O)NNC(=O)c3ccccc3C)CC2)n1 4965976 ULBMYCNMWSAZPM-UHFFFAOYSA-N 353.426 1.771 50 40 FDGB Cc1csc(CC(=O)NNC(=O)CN2CCc3sccc3[C@H]2C)n1 57315525 AHVDOFBDGAEUKL-LLVKDONJSA-N 364.496 1.822 50 40 FDGB Cc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3O)CC2=O)c1C 17526258 WTZNJJFLHZYOOG-CQSZACIVSA-N 367.405 1.823 50 40 FDGB C/C(=N/NC(=O)c1ccc(O)cc1O)c1ccc(NS(C)(=O)=O)cc1 13322541 DCOGKDYMLJOZJD-YVLHZVERSA-N 363.395 1.623 50 40 FDGB Cc1ccc(OC(=O)CCC(=O)NNC(=O)COc2ccccc2)cc1 5752435 MFXYKGKFWKOOIR-UHFFFAOYSA-N 356.378 1.907 50 40 FDGB C=CC(=O)Nc1cccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1 1629126663 PZJSMCGDRIBAHZ-UHFFFAOYSA-N 353.382 1.488 50 40 FDGB Cc1ccc(NCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 100527206 HNRTUKWSUPZXRF-UHFFFAOYSA-N 353.338 1.788 50 40 FDGB COCC(=O)N/N=C(\C)CC(=O)Nc1cc(OC)c(Cl)cc1OC 100522719 PHNNJLHIYXWIII-GIJQJNRQSA-N 357.794 1.824 50 40 FDGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccncc2)cc1 101038108 LXKKQWZDOQVNEH-HYARGMPZSA-N 354.410 1.945 50 40 FDGB CCOC(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 8569125 XUZUMHZEVGLWDW-MRXNPFEDSA-N 354.366 1.878 50 40 FDGB C=CCNS(=O)(=O)C[C@]1(C)[C@@H]2CC[C@]1(C)C(=O)[C@H]2Br 100983506 QJELJJBDLLJESP-LYIQGSDWSA-N 350.278 1.861 50 40 FDGB C/C=N/O[C@H]1NC(Br)=C(C#N)[C@@](C#N)(C(N)=O)C1(CC)CC 22172458 DSUVVEQNTBNDGX-DFGTYRJNSA-N 368.235 1.870 50 40 FDGB COC(=O)CSC1=C(C#N)[C@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1 409133976 VEBPXCBYUOZINH-UONOGXRCSA-N 360.391 1.331 50 40 FDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c(OC)c1 20086794 DNPKXSMBAKUQTD-INIZCTEOSA-N 353.378 1.929 50 40 FDGB Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(N)=O)c3ccccc32)cc1 100494453 OWFCOOAGYVSEOF-PGMHBOJBSA-N 351.366 1.353 50 40 FDGB O=C(COc1ccccc1Cl)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 6336952 YFTQMDKCXOPTIJ-QWRGUYRKSA-N 354.790 1.757 50 40 FDGB COc1ccc(/C=N\NC(=O)CNC(=O)Nc2nnc(S)s2)cc1 35351324 BFCAZAVEEBAWCK-UUASQNMZSA-N 366.428 1.107 50 40 FDGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)OC2=C1S(=O)(=O)CCC2 606422300 JALGDALGRIRHCT-KRWDZBQOSA-N 357.391 1.329 50 40 FDGB COc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1Cl 8433645 XLBSCJLSXVWJNV-UHFFFAOYSA-N 362.769 1.967 50 40 FDGB O=C(NNC(=O)c1ccccc1I)c1ccco1 852562 JAVCPWILMWFWPT-UHFFFAOYSA-N 356.119 1.959 50 40 FDGB Cc1occc1C(=O)NNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 12612278 XEQIOWBMWGNPLF-OBJOEFQTSA-N 366.443 1.075 50 40 FDGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(N)=O)cc1 4205373 QRZMBWCLSGRLSD-ZRDIBKRKSA-N 362.345 1.888 50 40 FDGB Cc1cccc(C)c1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 29757035 OZMGASDXRAIITR-OAHLLOKOSA-N 361.442 1.334 50 40 FDGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCC(N)=O 33450456 JUOOGSWSRIUHOH-FBHDLOMBSA-N 359.357 1.391 50 40 FDGB O=C(NCc1cccnc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408687676 USLVVZXMOOAPOT-PTEOKISQSA-N 351.200 1.269 50 40 FDGB O=[N+]([O-])[C@H]1C[C@@H](O)CC[C@H]1SS[C@@H]1CC[C@@H](O)C[C@H]1[N+](=O)[O-] 5188098 FQKSAAXSQKLZKB-ZNSALQAWSA-N 352.434 1.485 50 40 FDGB Cc1c(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 2755714 BQVYYXXXLHWTMN-UHFFFAOYSA-N 358.310 1.815 50 40 FDGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCC)c2ccccc21 2222691 MAUFGKJKYREPTI-FQEVSTJZSA-N 363.373 1.465 50 40 FDGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 856132 AXPGBHKZNTXMDO-SECBINFHSA-N 351.149 1.588 50 40 FDGB O=C(COc1ccc(/C=N\NC(=O)c2ccco2)cc1)NC[C@H]1CCCO1 28616190 MEFYGIHAGIASJJ-NBZOHKLQSA-N 371.393 1.718 50 40 FDGB Cc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2Cl)cc1 409063515 MBVKOKLIDJCYFC-UHFFFAOYSA-N 367.858 1.829 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cccc(F)c1 408615384 PSLYWZBZFRAUPO-GFCCVEGCSA-N 359.332 1.779 50 40 FDGB CCOc1ccc(Br)cc1/C=N/NC(=O)CN1CCOCC1 15009003 GJMRZKDWILKWOX-LICLKQGHSA-N 370.247 1.630 50 40 FDGB C[C@@H](Br)C(=O)/C(=C\N(C)C)c1nnnn1-c1ccccc1 100301279 GKAPLSRTOMGOKC-QSARLWQPSA-N 350.220 1.917 50 40 FDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1csc(-c2cccs2)n1 52399257 UAWHKANAYVIEJL-MRVPVSSYSA-N 371.465 1.067 50 40 FDGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 59246409 DWOZXOGJNZQERQ-YBFXNURJSA-N 357.366 1.427 50 40 FDGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(N)=O)cc1OC 409317867 RXPRBNRWHFIPOJ-NHDPSOOVSA-N 371.393 1.722 50 40 FDGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccco1 408532989 IZJQZEKDQDUADV-SXUYUPPPSA-N 374.740 1.548 50 40 FDGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CN1CCOCC1 19805437 DJVAADGGGOIJDJ-YBFXNURJSA-N 361.833 1.616 50 40 FDGB COc1ccc(Br)cc1/C=N/NC(=O)CN1CCOCC1 59246894 AVLIDAQJNNXABN-CXUHLZMHSA-N 356.220 1.240 50 40 FDGB Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)N3CCCC3)c2c1 4670372 HNISHKAJJSGPHC-UHFFFAOYSA-N 370.453 1.877 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(O)c(Cl)c2)cc1 409259261 XUWHHBGFFCZNGE-KEBDBYFISA-N 361.785 1.821 50 40 FDGB Cc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2cccc(Cl)c2)cc1 197622173 DMWBJSPNYCRLCE-UHFFFAOYSA-N 367.858 1.829 50 40 FDGB COC(=O)C[C@H](Br)c1nc2cc(OC)c(OC)cc2[nH]c1=O 16215115 MOTWYMDGJWKXNP-ZETCQYMHSA-N 371.187 1.939 50 40 FDGB Cc1cccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2cccc(C)n2)n1 17420191 JODVPTXOVRHGSE-ZIOPAAQOSA-N 366.425 1.864 50 40 FDGB CCCc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 7428736 FLRUMIYSERZUNV-UHFFFAOYSA-N 362.407 1.991 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1)c1cncn1-c1ccc(F)cc1 9115579 BLMFXCBXAOWOBN-UHFFFAOYSA-N 360.370 1.635 50 40 FDGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)C(C)(C)C 409029199 ZIQPLNHSVKKXOJ-LFIBNONCSA-N 370.431 1.899 50 40 FDGB Cc1c(/C=N/NC(=O)CN2CCOCC2)c(Cl)nn1-c1ccccc1 408893370 MRCAJVSSNMWEHL-YBFXNURJSA-N 361.833 1.616 50 40 FDGB CS(=O)(=O)/N=C1/C=C(NNC(=O)c2ccccc2)C(=O)c2ccccc21 100904671 DTBUEZHXGBDGAV-QNGOZBTKSA-N 369.402 1.450 50 40 FDGB CC(C)C(=O)NNC(=O)c1cn(-c2ccccc2Br)nn1 40087926 ADLXLURYBKZMEB-UHFFFAOYSA-N 352.192 1.447 50 40 FDGB COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1ccc(OC)cc1 22021354 MZMFVUSWKJWNRH-UHFFFAOYSA-N 370.408 1.167 50 40 FDGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1ccccc1Cl 2276611 DGPFDIDUCNUGPA-BCUFPXHISA-N 373.796 1.746 50 40 FDGB CC(C)(C)OC(=O)NNC(=O)NCCc1cc(F)cc2c1OCOC2 47070172 DXPZBLWUFGXSOJ-UHFFFAOYSA-N 355.366 1.974 50 40 FDGB Cc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c1O 13617540 LZMROFSRZSBXSW-OADJVDCOSA-N 357.322 1.899 50 40 FDGB COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1CN1CCOCC1 20146324 DPDRVNFSDJAVIR-FYJGNVAPSA-N 369.421 1.997 50 40 FDGB CN(CC(=O)NNC(=O)CN1CCCc2ccccc21)[C@H]1CCSC1 107544125 MFPWXRVMYFOBGB-HNNXBMFYSA-N 362.499 1.024 50 40 FDGB COc1cc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)cc(OC)c1OC 9219865 HZFDXJHEXRMYAM-UHFFFAOYSA-N 370.365 1.664 50 40 FDGB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)C1CC1 17073572 GHAICXMLLPEORG-WJDWOHSUSA-N 356.382 1.257 50 40 FDGB COc1ccccc1N1C(=O)C[C@@H](NNC(=O)c2ccc(C)cc2)C1=O 100118451 FFGHFJANPBPAMK-CQSZACIVSA-N 353.378 1.570 50 40 FDGB CCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccnc3)C2=O)cc1 101348960 TUEFLRKDHKARCE-OAHLLOKOSA-N 354.366 1.047 50 40 FDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 1883922 LMHSYHAQBVRSEK-LICLKQGHSA-N 351.815 1.769 50 40 FDGB Cc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)o1 7604915 ZNTMXIGZCJUTSD-UHFFFAOYSA-N 356.791 1.350 50 40 FDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(O)cc2)c1C#N 704728 PCWWLMZYWAUFMW-AWQFTUOYSA-N 354.366 1.643 50 40 FDGB COc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101318852 MKSWTSQCWGEULM-DDGKQPTKSA-N 374.871 1.535 50 40 FDGB NC(=O)CCn1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21 409259380 ZDPOPBGMDYKJKT-VVJWVBNBSA-N 364.405 1.700 50 40 FDGB C[C@@H]1CCC/C(=N\NC(=O)C[C@H]2NC(Cc3ccccc3)=NNC2=O)C1 4764155 XTWOSFYVLXPNSR-MBXUOAQBSA-N 355.442 1.703 50 40 FDGB O=C(CCc1ccsc1)NNC(=O)c1csc(N2CCOCC2)n1 8849597 BSNVXORHZCSBSZ-UHFFFAOYSA-N 366.468 1.435 50 40 FDGB CCc1ccccc1N(CC(=O)N/N=C/c1cccnc1)S(C)(=O)=O 20208844 HEYDKXNRGKTQBJ-XDHOZWIPSA-N 360.439 1.560 50 40 FDGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CO)cc1)c1ccccc1 862429 WZTUPWBPANZRIU-XLTHYULKSA-N 355.394 1.385 50 40 FDGB CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2ccccc2O)CC1 22259156 NFIDAFXQRPLHBM-UHFFFAOYSA-N 363.414 1.800 50 40 FDGB N#Cc1c(N2CCOCC2)nc(N)c2c(N)nc3c(c12)C[C@@H](CCl)O3 12504775 PTSXUVCAABVQDB-QMMMGPOBSA-N 360.805 1.045 50 40 FDGB Cc1cccc(C(=O)NNC(=O)[C@H](C)Nc2ccc3c(c2)NC(=O)CO3)c1 12644487 ODBTWQOKRZRHIL-LBPRGKRZSA-N 368.393 1.588 50 40 FDGB CCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccnc2)cc1 2316378 QPQHVXYJCLRZBY-UHFFFAOYSA-N 358.423 1.820 50 40 FDGB COc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2O)CC1=O 14169527 OSNLDZYVHDEPHU-LBPRGKRZSA-N 369.377 1.215 50 40 FDGB Cc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2F)cc1 409056506 HBHHCGUQMZFBNG-UHFFFAOYSA-N 351.403 1.315 50 40 FDGB CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1O 6207825 CFRBGZVBNNAZTE-DJKKODMXSA-N 371.349 1.608 50 40 FDGB Cc1cc(Cl)ccc1N(CC(=O)NN)S(=O)(=O)c1ccccc1 1106998 QPXSCSGHEBSWTE-UHFFFAOYSA-N 353.831 1.834 50 40 FDGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)[C@H]3CC=CCC3)ccc12 32985965 BGUOLIJCMLPUHU-ZDUSSCGKSA-N 356.378 1.984 50 40 FDGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCC(=O)OC 59334871 NEKBUSVOBKHUID-DHDCSXOGSA-N 358.394 1.971 50 40 FDGB O=C(Cc1cccs1)NNC(=S)NC(=O)c1ccc(F)c(F)c1 2437461 VEBGOCGVLDDBHX-UHFFFAOYSA-N 355.391 1.905 50 40 FDGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)c1 20208270 ZOBQMGHSKPKOCA-YBFXNURJSA-N 360.439 1.615 50 40 FDGB Cc1ccc(C(=O)NNC(=O)Cn2cnc3ccccc3c2=O)c(C)c1 8142905 XEYPHNWVQJQLJO-UHFFFAOYSA-N 350.378 1.475 50 40 FDGB O=C(NNS(=O)(=O)c1cncc(F)c1)C12CC3CC(CC(C3)C1)C2 63476379 QBAYMRVXXQYICK-UHFFFAOYSA-N 353.419 1.747 50 40 FDGB O=S1(=O)C[C@H](Cl)[C@@H](SS[C@@H]2CS(=O)(=O)C[C@@H]2Cl)C1 5002943 DZTDXYWZVGSPLW-DKXJUACHSA-N 371.354 1.177 50 40 FDGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccccc1 408535998 PLGPTDIUSXVZQY-QDBSGRMGSA-N 368.324 1.441 50 40 FDGB NNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3Cc4c([nH]c5ccccc45)C[C@H]3C[C@@H]21 4721777 FSQRVRPQXUTOFA-DUKJDFQYSA-N 354.454 1.292 50 40 FDGB O=S1(=O)C[C@H](Cl)[C@H](NC(=S)NCCc2c[nH]c3ccccc23)C1 575424749 WQVOGOCJRHVFCP-GXTWGEPZSA-N 371.915 1.579 50 40 FDGB CCCCCCn1c(SC[C@@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 12373961 NUOATOPNZNQMRW-JTQLQIEISA-N 374.894 1.695 50 40 FDGB COc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(C)ccc2OC)cc1 4838926 CYRYYYXRLJFTSI-UHFFFAOYSA-N 357.366 1.412 50 40 FDGB Cc1ccc(NCC(=O)NNC(=O)CCNC(=O)Cc2ccccc2)cc1 12526754 QYGWSWLZEIHXML-UHFFFAOYSA-N 368.437 1.303 50 40 FDGB CN1C(=O)/C(=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 101673029 MYINECLWILEDDY-XMHGGMMESA-N 367.321 1.030 50 40 FDGB CN(Cc1ccccc1)c1nc2ccccn2c(=O)c1/C=N/NC(N)=O 2267943 YZYFNXBTMJLAJL-RGVLZGJSSA-N 350.382 1.333 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)CSC(=S)N2CCCC2)cc1 12852200 ARZWPYQNYAZVSA-UHFFFAOYSA-N 367.496 1.635 50 40 FDGB Cc1ccc(F)cc1NNC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 1640378565 MZLPMEHAKHAQMK-SFHVURJKSA-N 356.357 1.946 50 40 FDGB O=C(NCc1ccccn1)C(=O)N/N=C/c1cccc(Br)c1 15226171 DLHCINURDDFKFM-DJKKODMXSA-N 361.199 1.611 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccccc2OC)c1 5513063 IXVNNNMAFBJFGM-YBFXNURJSA-N 357.366 1.801 50 40 FDGB C/C(NNC(=O)c1ccccc1)=C1/C(=O)N=C(O)N(c2ccccc2)C1=O 8970492 PYCFVPBZCXBSHR-NTCAYCPXSA-N 364.361 1.682 50 40 FDGB COc1ccccc1NCC(=O)NNC(=O)c1ccc(-n2cccn2)cc1 12533806 YPHUXZSBCSWZQN-UHFFFAOYSA-N 365.393 1.754 50 40 FDGB COc1ccc(CC(=O)NNC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1 29760598 VLGMUWILYGWHLB-HNNXBMFYSA-N 369.425 1.092 50 40 FDGB CCOc1ccccc1OCC(=O)NNC(=O)COc1cccc(C)c1 6333215 BMSXFMCXAZAYPS-UHFFFAOYSA-N 358.394 1.999 50 40 FDGB COc1cccc(N2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)c1 5369433 FPOZLAHCCBXPOF-VVMFYBRISA-N 374.871 1.535 50 40 FDGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl 27497702 LLGWEFRQLXCDLZ-VIZOYTHASA-N 367.709 1.554 50 40 FDGB CCOC(=O)/C=C/C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 4672989 FSYWIWDNASNLIT-MDZDMXLPSA-N 361.398 1.289 50 40 FDGB N#CC1(C#N)C[C@]2(O)NC(=O)[C@]1(C#N)[C@@H](c1ccccc1)[C@@H]2Br 100082597 PHHURESSVHMUKY-GVAFMPQTSA-N 371.194 1.299 50 40 FDGB CO[C@@H](CCN1C(=O)c2ccccc2C1=O)[C@H](Br)C(=O)O 1706620 NMGSJFZNBDUBIX-QWRGUYRKSA-N 356.172 1.536 50 40 FDGB O=c1c2cc3ccccc3cc2c(=O)n2n1C[C@H](O)[C@@H](Br)C2 1872318 DFYPZEXLPPEIDU-KBPBESRZSA-N 361.195 1.454 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 59459752 BGFJCYMDANVLPV-MKFNJMOCSA-N 370.365 1.931 50 40 FDGB CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccncc3)[C@H]2C1 4457551 XFVGFOYOJCWHBZ-DLBZAZTESA-N 374.404 1.963 50 40 FDGB COc1ccc(CC(=O)NNC(=O)c2cc(=O)c3ccccc3o2)cc1 8708772 OONFQHCLURYQTC-UHFFFAOYSA-N 352.346 1.805 50 40 FDGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1cccc2ccccc12 409370041 JWJHCGGQRYGBQO-NLDJYOPPSA-N 366.373 1.645 50 40 FDGB CC(=O)Oc1cc(NC(=O)CI)ccc1C(=O)O 1690224 YHRNBNRMNNXECS-UHFFFAOYSA-N 363.107 1.684 50 40 FDGB COC(=O)CCC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 2132062 TWKPLRPJIKZJNF-UHFFFAOYSA-N 369.805 1.468 50 40 FDGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CN(C)C)c3ccccc32)cc1 4952593 OHHFUASZXQBUEL-QOCHGBHMSA-N 366.421 1.760 50 40 FDGB Cc1cc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)[nH]n1 880894 YPHAZMLLTPEFIP-PJQLUOCWSA-N 351.160 1.973 50 40 FDGB CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 4673283 MDTOSYJVURLXRS-UHFFFAOYSA-N 372.337 1.393 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1cccc(F)c1 409133369 MCCPTUZUBKRNTB-CXUHLZMHSA-N 355.416 1.804 50 40 FDGB C#CCN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 100868934 RDEHHMKZIPFZIM-SPGGGKMGSA-N 361.357 1.327 50 40 FDGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)C(N)=O 3538358 BEEMCCGIZHFPRK-NGYBGAFCSA-N 354.197 1.482 50 40 FDGB CS(=O)(=O)c1ccc([C@H](O)[C@H](CF)NC(=O)C(Cl)Cl)cc1 7997901 AYIRNRDRBQJXIF-UWVGGRQHSA-N 358.218 1.382 50 40 FDGB biogenic,in-man Cn1/c(=N\NC(=O)c2ccccc2OCC(N)=O)sc2ccccc21 212025730 SYNZNRBEDDEOOX-LVZFUZTISA-N 356.407 1.350 50 40 FDGB CC1(C)CC(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)CC(C)(C)N1 2251712 UJODYEQHALWJCZ-KEBDBYFISA-N 374.441 1.291 50 40 FDGB CCCCCCC(=O)NN/C=C1/C(=O)NC(=S)N([C@H](C)CC)C1=O 2382430 AOXNJCIOAOFNDR-JPQYHBGPSA-N 354.476 1.503 50 40 FDGB O=C(COC(=O)CCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1 8416286 SRTFWQWCZZRUPB-UHFFFAOYSA-N 369.377 1.410 50 40 FDGB CC(=O)c1ccc(NC(=O)/C(=N/NC(N)=O)[C@H](C#N)CC(C)(C)C=O)cc1 104290397 JXQAYEPFUXEYML-KNKKCGMZSA-N 371.397 1.607 50 40 FDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(OC(F)F)cc1 6310388 VBACSJHWJREAHA-AWEZNQCLSA-N 364.304 1.889 50 40 FDGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(N(CC)CC)cc1 6740915 UFHCWYWSPAWCOI-WFASDCNBSA-N 363.462 1.377 50 40 FDGB CCn1nc(C(=O)NNC(=O)Cc2cccc(F)c2)c2ccccc2c1=O 6928632 VUDVMXFVGPBJAD-UHFFFAOYSA-N 368.368 1.559 50 40 FDGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 409333413 JQRFKIHCNVVXMT-WOJGMQOQSA-N 358.354 1.637 50 40 FDGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 6953973 RZPMAASXMWYBPG-CIAFOILYSA-N 368.393 1.290 50 40 FDGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 409221787 AXHKLXLQJFTFJI-LZYBPNLTSA-N 360.282 1.981 50 40 FDGB COc1ccccc1/C=N/NC(=O)CSc1nnnn1-c1ccccc1 5171946 TYYYBQFRLKQDJR-WOJGMQOQSA-N 368.422 1.913 50 40 FDGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(Br)c1 4672560 PZRZUHBXSSXQLL-VCHYOVAHSA-N 370.247 1.831 50 40 FDGB COc1ccc(CC(=O)N2C[C@@H](C(=O)NN)Oc3ccccc32)cc1OC 225329105 DUELNLNNQHVADQ-KRWDZBQOSA-N 371.393 1.030 50 40 FDGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3O)CC2=O)cc1 96504900 UDTSIDQZKPZMKH-LPKQHDGYSA-N 353.378 1.904 50 40 FDGB COc1ccc(C(=O)[C@H](I)S(C)(=O)=O)cc1 96517937 USJBJYHAMSNIJA-SNVBAGLBSA-N 354.165 1.684 50 40 FDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1 103518855 VHEPAUMSZQSNDT-KNGSKEOJSA-N 371.418 1.378 50 40 FDGB O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1 3077577 CKUVMUGIPNKNDX-UHFFFAOYSA-N 351.362 1.524 50 40 FDGB COc1ccccc1OCC(=O)N/N=C/c1ccn(CC(F)(F)F)n1 252494406 NUQJIVMOOFLCLW-UFWORHAWSA-N 356.304 1.983 50 40 FDGB Cn1c(CC(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)nc2ccccc21 102372027 OXPNHHWMSOLOHS-OBJOEFQTSA-N 357.483 1.800 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)c(OC)c1 59515437 JSRGMVHBPUKFOP-VXLYETTFSA-N 373.365 1.507 50 40 FDGB COc1ccc(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 4177238 HUBVHNWAGSURQV-UHFFFAOYSA-N 359.338 1.616 50 40 FDGB CC(=O)Oc1ccccc1/C=N\NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1 18192974 IKKLLWFEQUESFE-RMDWTDPUSA-N 365.389 1.592 50 40 FDGB NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 6146808 BKMWNNPETITMMY-UHFFFAOYSA-N 370.228 1.853 50 40 FDGB CCCc1c(C(=O)N/N=C/c2ccc(CC)cc2)nnn1-c1nonc1N 5478388 LFRJPTFPCGAXSG-VXLYETTFSA-N 368.401 1.511 50 40 FDGB Cc1csc(CC(=O)NNC(=O)CN(C)[C@@H](C)c2ccc(F)cc2)n1 9478918 KCPFCEWRAVEBTG-LBPRGKRZSA-N 364.446 1.974 50 40 FDGB O=C(CSc1nnnn1C1CCCCC1)NNC(=O)C1CCCCC1 57611423 IORXCGBKITWYQM-UHFFFAOYSA-N 366.491 1.998 50 40 FDGB NNC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 4029012 ACXXOPXBWJSGGQ-APNNBJDVSA-N 354.454 1.464 50 40 FDGB biogenic COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408972914 WXRWLGPGLLKXPV-WSDLNYQXSA-N 374.416 1.836 50 40 FDGB N#C/C(=C/c1ccc(SCCO)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 32124964 HRQFNFTVNMZLER-LCYFTJDESA-N 363.395 1.445 50 40 FDGB COC(=O)[C@](NC(=O)c1ccc(C)cc1)(/C(C#N)=C(/C)N)C(F)(F)F 20064496 CUZHMFZNCDETNI-KUGGDMIFSA-N 355.316 1.955 50 40 FDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1 6867509 XUBBVNCCSUUMMZ-SRZZPIQSSA-N 368.393 1.209 50 40 FDGB O=C(NCc1ccnc(N2CCCC2)c1)NNC(=O)c1ccc(F)cc1 32802957 FTIFONJZSKNTPI-UHFFFAOYSA-N 357.389 1.965 50 40 FDGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccccc1 59566509 RZCDTIDZGIQPKL-FNLSEGDXSA-N 368.437 1.839 50 40 FDGB O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccc2c(c1)OCO2 59516228 ZNHDDQFHTBUKKC-QGMBQPNBSA-N 355.306 1.202 50 40 FDGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OS(C)(=O)=O 2149962 MTTWUXHEZOWIPN-WOJGMQOQSA-N 363.395 1.583 50 40 FDGB CC(=O)Nc1ccc(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 12614616 UCBBZTCLDXVDPZ-KRWDZBQOSA-N 369.377 1.175 50 40 FDGB CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2 28083080 TULSMQSTZIDIJN-AWEZNQCLSA-N 366.487 1.861 50 40 FDGB CCNC(=O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1OC 3335221 UCQKOKLQGQXSJF-UFFVCSGVSA-N 356.382 1.369 50 40 FDGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1O 36076877 LZMROFSRZSBXSW-AOVQIXHVSA-N 357.322 1.899 50 40 FDGB COc1ccc(OC)c(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)c1 408770701 AWFPISXWTORZBD-UHFFFAOYSA-N 369.443 1.516 50 40 FDGB CC(C)N1C(=O)[C@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2ccccc21 79464587 GFPXOQSSRYHEBZ-FQEVSTJZSA-N 364.405 1.566 50 40 FDGB O=C(CCCC(=O)N/N=C\c1cccc(O)c1)N/N=C\c1cccc(O)c1 31670079 DYIPYWSQCROVSJ-FDYZEBBJSA-N 368.393 1.869 50 40 FDGB O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)Nc2nc3ccccc3s2)C1 575422173 AETUQGRQZPQPRE-APPZFPTMSA-N 361.901 1.987 50 40 FDGB Cc1cc(N2N=C2SSC2=NN2c2cc(C)nc(N)n2)nc(N)n1 16850149 ZEMKXKGFLNCUMD-UHFFFAOYSA-N 360.432 1.311 50 40 FDGB CN(C)c1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 2240830 AZJKIDMYHOKKMZ-MRXNPFEDSA-N 352.394 1.319 50 40 FDGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1 4091535 XDAKLRNNMXNXNR-XSFVSMFZSA-N 352.394 1.612 50 40 FDGB COc1cc(/C(C)=N/NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)ccc1O 5295254 GHDAWWOMZLFGTD-RQZCQDPDSA-N 361.358 1.663 50 40 FDGB Cc1cc(C(=O)N/N=C/c2ccc(O)c(I)c2)[nH]n1 4936734 ZVOJMKIWYRACRB-MKMNVTDBSA-N 370.150 1.792 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 58885088 WLFSQJMTRLUSPZ-VCHYOVAHSA-N 370.321 1.470 50 40 FDGB Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 1404902 SZFGYOAJMHZPPQ-KGLIPLIRSA-N 368.455 1.043 50 40 FDGB CCCc1nnc(S)n1CC(=O)NNC(=O)c1cc(C)c(CC)s1 12676638 KPKRGGBLDVVCMH-UHFFFAOYSA-N 367.500 1.913 50 40 FDGB CCOc1c(Cl)cc(/C=N/NC(=O)CN2CCOCC2)cc1OC 15019901 FFBPUSWPFWBILY-VCHYOVAHSA-N 355.822 1.530 50 40 FDGB Cc1occc1C(=O)NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 7708902 BOIUHRBACWGXDV-UHFFFAOYSA-N 363.395 1.338 50 40 FDGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 409370551 SWDXLSUVMOCKFR-APYUEPQZSA-N 371.393 1.319 50 40 FDGB CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccco1 2057406 ZTKPZDYWHAMVJO-LEKRSAHOSA-N 357.366 1.913 50 40 FDGB CC1=C(C(=O)OC(C)C)[C@]2(C(=O)N(C)c3ccccc32)C(C#N)=C(N)O1 1243473 NYTKFQOAWGTHMY-LJQANCHMSA-N 353.378 1.850 50 40 FDGB C[C@@H](O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 58882274 UMXXSXWKJHGSMD-IKMPRTQCSA-N 369.421 1.255 50 40 FDGB Cc1ccc(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)cc1 5205622 LXWGIXWVSMCYGY-MHWRWJLKSA-N 351.453 1.973 50 40 FDGB Cc1ccc(S(=O)(=O)C2(C(=O)NNC(=O)c3ccoc3)CCC2)cc1 61482618 IPEJCCINIFZOHZ-UHFFFAOYSA-N 362.407 1.746 50 40 FDGB O=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccnc1 28617778 LEWAPMQVYOVSKC-ODLFYWEKSA-N 355.354 1.590 50 40 FDGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CNC1CCCCC1 409387835 RNDSHHDRSZYREU-VXLYETTFSA-N 364.402 1.984 50 40 FDGB Cc1cc(O)nc(Sc2ccc(/C=C(\C#N)C(N)=O)cc2[N+](=O)[O-])n1 409102934 BWNXIGWETKCTDJ-BJMVGYQFSA-N 357.351 1.942 50 40 FDGB COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2135537 VWCKNEBUXSXDOH-UHFFFAOYSA-N 374.378 1.553 50 40 FDGB CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2F)c2ccccc21 4825720 PSLXJZOXPPOVDN-JWGURIENSA-N 354.341 1.052 50 40 FDGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1ccncc1 15084565 TZCDGXPWSAKUOX-SECBINFHSA-N 352.379 1.639 50 40 FDGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2cnccn2)cc1 100809838 QXZZNOWGZHMTDM-LPYMAVHISA-N 355.398 1.340 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc2c(c1)OCO2 7428745 VUKROWCEZIUXFX-UHFFFAOYSA-N 372.761 1.831 50 40 FDGB CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc([N+](=O)[O-])c1O 3077089 XPCSXXHULIXLOL-BFERYNQYSA-N 359.338 1.883 50 40 FDGB N#CC1=C(N)NC(=S)[C@H](C(N)=O)[C@H]1c1cccc(Br)c1 4792596 IJKQRRZPPFQTOJ-UWVGGRQHSA-N 351.229 1.259 50 40 FDGB Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 102217155 TVWVBTKSFTUENS-PYOKUCOHSA-N 372.421 1.741 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)N=C(O)N(c2ccc(C)c(C)c2)C1=O 1874075 YKCOSJFTICXIDT-UVTDQMKNSA-N 358.398 1.786 50 40 FDGB COc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2)cc1Cl 24523108 LTTQHTLQMNMGER-UHFFFAOYSA-N 369.830 1.534 50 40 FDGB COC(=O)[C@](NC(=O)c1ccc(C)cc1)(/C(C#N)=C(\C)N)C(F)(F)F 96585587 CUZHMFZNCDETNI-HBIYDYFMSA-N 355.316 1.955 50 40 FDGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CO)cc1)c1ccccc1 862427 WZTUPWBPANZRIU-HXJASHHUSA-N 355.394 1.385 50 40 FDGB COc1cc(Br)cc(/C=N/NC(=O)c2cc(C)n[nH]2)c1O 3902329 GVRAOMFBQHKUIC-GIDUJCDVSA-N 353.176 1.959 50 40 FDGB CN(C)N(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 8769162 PJTFUVBGMWKJLG-GWJCSSMESA-N 353.400 1.100 50 40 FDGB O=C(CC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1)NCCc1ccccc1 32116919 OWIPZEHQYWAFIB-MOSHPQCFSA-N 354.366 1.794 50 40 FDGB O=C(NN[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 857141 LQLTUDNDBXPKLM-CQSZACIVSA-N 354.322 1.161 50 40 FDGB COc1cccc(/C=C2\SC(=S)N(/C=C(\C#N)C(N)=O)C2=O)c1O 8665196 LHRUSAJUQRBIOC-WSIYXSMXSA-N 361.404 1.495 50 40 FDGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 3326162 PELKWEQLCGAGMQ-UHFFFAOYSA-N 358.350 1.550 50 40 FDGB O=C(NNC(=O)C1CC1)c1nn(-c2ccccc2C(F)(F)F)cc1O 14066048 VTQBEXNDBNUFSZ-UHFFFAOYSA-N 354.288 1.768 50 40 FDGB Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)C1=NNC(=O)CC1 6507509 BTJFFMNBFJOOCS-SNVBAGLBSA-N 366.805 1.138 50 40 FDGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408965043 FZGLDXIQIVYDSF-GDNBJRDFSA-N 372.450 1.737 50 40 FDGB N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@H]1c1cccs1 409146857 LNOQJBIINQBYFG-LLVKDONJSA-N 363.464 1.679 50 40 FDGB C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1O 409146995 LZMMPMADSFJBJD-LDADJPATSA-N 361.423 1.942 50 40 FDGB Cc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)s1 12802709 KWBFXZXTPDHDMU-UHFFFAOYSA-N 352.441 1.424 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)cc1 12950640 UMPKDXRTUYXIRD-HNNXBMFYSA-N 355.369 1.635 50 40 FDGB COc1ccc(NC(=O)CC(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1 5513783 KMTOORYLVLDGIG-UDWIEESQSA-N 369.377 1.945 50 40 FDGB CCOC(=O)c1cs/c(=N\NC(=O)c2ccccc2)n1C(=O)CCl 16948490 APIBBUPCFTUIOQ-SDXDJHTJSA-N 367.814 1.851 50 40 FDGB CCS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccc(OC)cc1 59490273 IYRGSQNOBDWLSS-GZTJUZNOSA-N 365.411 1.595 50 40 FDGB COc1ccc2c(c1)/C(=N\NC(=O)c1ccc(OC)c(OC)c1)C(=O)N2 59472606 WZSJOEOZPOKKJZ-UHFFFAOYSA-N 355.350 1.799 50 40 FDGB CCN1CCC2(CC1)[C@H]1CN(CC)CC=C1C(C#N)=C(N)C2(C#N)C#N 989225 CZLXCCUTZVOKDJ-KRWDZBQOSA-N 350.470 1.750 50 40 FDGB O=C(NCc1ccc(N2CCCC2=O)cc1)NNC(=O)c1ccccc1 45128091 KEIQWFGPCJOZCK-UHFFFAOYSA-N 352.394 1.958 50 40 FDGB CC(C)c1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 575421910 SUJNYVFEORXFOC-QWHCGFSZSA-N 351.877 1.493 50 40 FDGB O=C(NNc1nc2nonc2nc1Nc1ccc(F)cc1)C(F)(F)F 5569902 GEEAFLQVILHMIQ-UHFFFAOYSA-N 357.227 1.901 50 40 FDGB Cc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)o1 3621574 ZKYAOBJAGJMBBO-UHFFFAOYSA-N 365.411 1.222 50 40 FDGB COc1ccccc1CC(=O)NNC(=O)NNC(=O)c1ccc(C)s1 102123078 AYGKEVGUOBVVKD-UHFFFAOYSA-N 362.411 1.283 50 40 FDGB COCCn1c(SCC(=O)NNC(=O)C(C)C)nnc1-c1ccco1 4861195 YJSCMTJSCLFKGF-UHFFFAOYSA-N 367.431 1.080 50 40 FDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 6578712 FAVTZWYHSHMXFM-UFFVCSGVSA-N 372.356 1.039 50 40 FDGB Cn1c(SCC(=O)NNC(=O)c2ccco2)nc2ccsc2c1=O 8329103 KTZDPRPLBZLLIA-UHFFFAOYSA-N 364.408 1.141 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)cc1 59515462 GWNDAJQCUJCVPX-CIAFOILYSA-N 371.393 1.479 50 40 FDGB C/C(CC(=O)Nc1ccc(Cl)cn1)=N\NC(=O)Cc1csc(N)n1 100794403 IPMATGZOEXTHQV-DNTJNYDQSA-N 366.834 1.837 50 40 FDGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(=O)[nH]nc(O)c2c1 58900515 SSVANNXXAAGCCU-CAOOACKPSA-N 353.294 1.301 50 40 FDGB CCOC(=O)/C=C/C(=O)NNC(=O)c1ccc(OC)c(Br)c1 1794720 DQEKGSCGDVSKDH-VOTSOKGWSA-N 371.187 1.338 50 40 FDGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1Br 59333926 LCTMZGRFXYCYIW-WDZFZDKYSA-N 367.199 1.996 50 40 FDGB C[C@@H]1Oc2ccccc2C=C1/C=C(\C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 4193250 UQGVQWDRJWTPPX-VXSGVAGXSA-N 358.419 1.604 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(-n3nc(C)cc3C)cc2)n1 6507642 LNGPUUAXEMNQDW-UHFFFAOYSA-N 366.425 1.764 50 40 FDGB COCCNc1ccc(C(=O)NNC(=O)c2cccc(O)c2)cc1[N+](=O)[O-] 9336107 MGZGIZWLBBTFPO-UHFFFAOYSA-N 374.353 1.434 50 40 FDGB COc1cccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)c1 20209997 DTBQVYCBVPGLTI-WOJGMQOQSA-N 362.411 1.007 50 40 FDGB Cc1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccccc2)c(C)c1 2136071 XCIXZJACYDYTRF-UHFFFAOYSA-N 371.462 1.947 50 40 FDGB Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1 225655504 TVWVBTKSFTUENS-BJMQQELFSA-N 372.421 1.741 50 40 FDGB Cc1csc(C(=O)NCC(=O)NNC(=O)c2ccc(CCl)cc2)c1 2141856 YPRHLLNIXLUHIY-UHFFFAOYSA-N 365.842 1.986 50 40 FDGB CN(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccc(F)cc1 6544723 WXPJSJPVYRSEIN-VCHYOVAHSA-N 365.386 1.302 50 40 FDGB CCc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 12944647 HQLHYHNCZIIHHE-UHFFFAOYSA-N 362.407 1.644 50 40 FDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCC(=O)N2 13001653 WCMABYVCMZUOIM-JTQLQIEISA-N 373.340 1.385 50 40 FDGB CC(=O)C1=NO[C@H](C(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)C1 5480851 ARYPMIXWEPZSMT-JTQLQIEISA-N 364.711 1.955 50 40 FDGB COC(=O)c1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1 32116917 RURVKFHSUSFNPI-HMAPJEAMSA-N 367.405 1.672 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)Cc1ccccc1 6584694 XOYOKKMEAQKIPI-YBFXNURJSA-N 363.414 1.738 50 40 FDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1 59434158 IKDPQGHIIOHKNG-YBFXNURJSA-N 355.350 1.658 50 40 FDGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCC#N 59246768 FJPZADHTLZYVKA-GRSHGNNSSA-N 366.805 1.033 50 40 FDGB COc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1O 54235306 VCBXULXQUBVMSB-PXNMLYILSA-N 360.282 1.981 50 40 FDGB O=C(CCc1nc2ccccc2s1)NNC(=O)c1cc([N+](=O)[O-])c[nH]1 9314641 NQCZGUBJADHPAN-UHFFFAOYSA-N 359.367 1.926 50 40 FDGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc[n+]1[O-] 40142833 CSKLQBWXRFHXTH-UHFFFAOYSA-N 363.373 1.827 50 40 FDGB O=C(Nc1ccc(O)cc1)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 102608344 YBVXLYDEKJABPR-NGFXDRFKSA-N 352.184 1.902 50 40 FDGB CCC(=O)NNC(=O)CCC(=O)Nc1nc2ccc(OC)cc2s1 8741118 DDKWJFYPWQRUEX-UHFFFAOYSA-N 350.400 1.581 50 40 FDGB CC1(C)[C@@H](O)[C@@]2(Br)CC[C@@]1(CC(N)=O)[C@@H]2Br 216529112 ZKWIBPNRADGAEX-SCVMZPAESA-N 355.070 1.940 50 40 FDGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)C[C@@H]1O 195525418 GHCYFLRPIRMTTP-SDDRHHMPSA-N 366.494 1.790 50 40 FDGB COc1ccc(C(=O)NN[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 5375422 RDZWBLWLUREQTC-QGZVFWFLSA-N 358.350 1.816 50 40 FDGB N#CCC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 2690795 BQRCQZJMVGVRGO-UHFFFAOYSA-N 352.419 1.754 50 40 FDGB CC(C)CN1C[C@@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)CC1=O 29762909 NOCJEWVAPHKYGV-ZDUSSCGKSA-N 356.426 1.444 50 40 FDGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(N2CCOCC2)o1 408848336 UBHQSZULEFLUGV-YFHOEESVSA-N 354.204 1.874 50 40 FDGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCC(N)=O 409190361 XOUPDZINCGTCTM-ZROIWOOFSA-N 357.410 1.915 50 40 FDGB Cc1ccc(-n2nc(C(=O)N/N=C\c3ccncc3)c(C)c(C#N)c2=O)cc1 409061223 YCHCEVZZHXCDAB-FMCGGJTJSA-N 372.388 1.880 50 40 FDGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccs2)cc1 839071 KIVNTRBZLNAIJS-UHFFFAOYSA-N 353.425 1.073 50 40 FDGB C[C@@H]1[C@@H](NNC(N)=O)Oc2cc3c(cc2[C@@H]1c1ccccc1O)OCO3 5956741 ICISIXUOSAGJCL-QUEBZJCTSA-N 357.366 1.780 50 40 FDGB O=C1OC(=O)[C@H]2[C@@H]3CC[C@@](CNC(=O)C45CC6CC(CC(C6)C4)C5)(O3)[C@@H]12 100396595 ZPLUUDZCBOTJLS-JPANYZBESA-N 359.422 1.566 50 40 FDGB CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1 6593403 GRYOULFERMKWBZ-UHFFFAOYSA-N 358.423 1.820 50 40 FDGB O=C(NN/C=C1\C(=O)N(c2ccccc2)C(=O)N=C1O)c1ccncc1 38167762 CTHZQAAXZOHCMU-RAXLEYEMSA-N 351.322 1.323 50 40 FDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21 95481327 HHNMOILOMVZJCH-QOCHGBHMSA-N 365.389 1.659 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C 252510218 ZETAONHCSQGZRK-WTSVEOLSSA-N 351.342 1.300 50 40 FDGB Cc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)cc1C 5684134 SWGMWIMSSXZIKN-YBFXNURJSA-N 360.439 1.615 50 40 FDGB CCS(=O)(=O)[C@@H](I)[C@H](O)c1cccc(N)c1 96519261 YGHPCQOHYSRPQM-NXEZZACHSA-N 355.197 1.498 50 40 FDGB CC(=O)NNC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCO4 887102 SZGZDKHSVFUDEH-UHFFFAOYSA-N 373.394 1.179 50 40 FDGB O=C(COc1ccccc1Cl)NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O 8346112 VFJLYSSWLKZSJH-WDEREUQCSA-N 352.774 1.533 50 40 FDGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CCCC1 59515581 FIBLVHMCNJDLIC-RQZCQDPDSA-N 368.231 1.967 50 40 FDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 18130635 WZOCZXMYJCYYKN-NNOSENOASA-N 367.409 1.009 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C 408970456 IENACOGOPHYLDA-WSDLNYQXSA-N 370.453 1.924 50 40 FDGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1C 5942608 ASQRYHNJHDGUQE-UFFVCSGVSA-N 368.393 1.256 50 40 FDGB Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 102217164 TVWVBTKSFTUENS-HZRXROBNSA-N 372.421 1.741 50 40 FDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccccn2)c1 3200965 UKDMWBGOQUTVSZ-CPNJWEJPSA-N 360.439 1.876 50 40 FDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 12894699 VRKKERNJSOPDQI-UHFFFAOYSA-N 364.379 1.090 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1C 3581604 DMRZBQHITJSZPC-INIZCTEOSA-N 362.407 1.453 50 40 FDGB Cc1cccc(C)c1OCC(=O)NNC(=O)CNC(=O)c1cccc(F)c1 14250196 UZHZXVZPSVBMPM-UHFFFAOYSA-N 373.384 1.399 50 40 FDGB Cn1cc(Br)cc1C(=O)NNC(=O)c1cnc2ccccc2n1 8769054 WUABKWBMFGRGDS-UHFFFAOYSA-N 374.198 1.806 50 40 FDGB COc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 408614954 KCZWRWYVZYQVRS-HNNXBMFYSA-N 367.405 1.818 50 40 FDGB O=C(O)/C=C\C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 33397263 USKUYSNFZRVVBV-KHPPLWFESA-N 353.334 1.341 50 40 FDGB CC/C(C)=N\NC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1 13713855 WMPDXSRCNIWADF-GRSHGNNSSA-N 369.389 1.360 50 40 FDGB CCCN1C(=O)C(C#N)=C(C)/C(=N\Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O 100982414 FTTBCFNTDAAFDT-HYARGMPZSA-N 352.354 1.243 50 40 FDGB NC(=S)N/N=C1\[C@@H]2[C@H]3[C@H]4[C@@H]5C[C@@H]([C@@H]14)[C@H]2[C@H]5[C@H]3I 195528931 JFMQOXYVKCNNAF-VYRZDQQLSA-N 359.236 1.367 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(Cl)cc1 13629096 JPEDVHOEXDNPRU-LBPRGKRZSA-N 361.785 1.743 50 40 FDGB O=C(CNC(=O)c1ccccc1Br)N/N=C\c1ccco1 4469509 URIKNCLJEMTJIF-IUXPMGMMSA-N 350.172 1.922 50 40 FDGB COc1cc(/C=N\Nc2nncn2N)ccc1N(CCCl)CCCl 104075849 MBHSKEIDLLUTET-NVMNQCDNSA-N 372.260 1.731 50 40 FDGB COc1cccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1OC 3297967 PKVRUTQNJCKAGN-UHFFFAOYSA-N 358.350 1.322 50 40 FDGB O=C(NCCc1ccc2c(c1)OCO2)NNC(=O)[C@H]1Cc2ccccc2O1 58300485 PGNMZJPGFLDEJV-QGZVFWFLSA-N 369.377 1.292 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1cccc(Cl)c1 20209462 RGWPSHKAKPOOOI-VCHYOVAHSA-N 366.830 1.651 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2ccncc2)cc1Br 6145857 ATDYDVGGTZXZRA-UHFFFAOYSA-N 350.172 1.928 50 40 FDGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)c([N+](=O)[O-])c1 101417496 DQSLYNBTXFLLOU-JZJYNLBNSA-N 368.349 1.779 50 40 FDGB COc1ccc(CC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1OC 59960614 LMIOCUAHEYEDPN-NHDPSOOVSA-N 371.393 1.261 50 40 FDGB O=C(O)C[C@H](NNC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 5024459 BWVSAVYSJYJQHU-AWEZNQCLSA-N 372.337 1.311 50 40 FDGB O=C1N=C(O)N(C2CCCCCC2)C(=O)/C1=C\NNC(=O)c1ccncc1 17207811 RTCPLDSOCIRWOY-KAMYIIQDSA-N 371.397 1.206 50 40 FDGB CCOc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2)cc1 408618830 GGBQRITUJBOTOM-UHFFFAOYSA-N 363.439 1.266 50 40 FDGB CC(=O)NCC(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 7718275 DJKWRXLQFZLDSX-UHFFFAOYSA-N 371.422 1.293 50 40 FDGB COc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)cc1 409186164 XXOZASIOFNKXLS-WOJGMQOQSA-N 362.411 1.007 50 40 FDGB C=CCN1C(=O)/C(=C\NNC(=O)c2ccccc2Cl)C(O)=NC1=S 38181668 WGCYOJLPTYZPDJ-NTMALXAHSA-N 364.814 1.728 50 40 FDGB O=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1O 83327810 ACJZFCOGACMVRQ-UNOMPAQXSA-N 370.365 1.901 50 40 FDGB CC1(C)O[C@@H]2[C@@H](C(=O)Cl)O[C@@H](n3cnc4c(Cl)ncnc43)[C@@H]2O1 91301467 QEFQUMARELTVCC-BSFVXNEUSA-N 359.169 1.663 50 40 FDGB O=S1(=O)C[C@@H](Cl)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C1 575423885 SGIFAZQAAXITST-ZIAGYGMSSA-N 359.856 1.523 50 40 FDGB Cc1cc(NNC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)nc(N)n1 1666837934 IFGVZGZOKJMFAV-UHFFFAOYSA-N 370.461 1.576 50 40 FDGB O=C(O)COc1ccc(/C=N/NC(=O)CO/N=C\c2ccccc2)cc1 6222659 BHEWHSIYZFEGOT-UDJQGPHRSA-N 355.350 1.651 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1O 5463769 ZNXKCCXHPUNQIC-CIAFOILYSA-N 371.393 1.566 50 40 FDGB O=C(CCN1CCCCC1)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3219094 JOVLPKSOWQSPDH-UHFFFAOYSA-N 365.346 1.140 50 40 FDGB COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccccc1 13358643 UQQVXMJSJIIITB-UHFFFAOYSA-N 350.352 1.017 50 40 FDGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)C[C@H]1COC(=O)C1 84562861 MDFZVUNXFACFDN-CQSZACIVSA-N 368.389 1.833 50 40 FDGB O=C(NCc1ccccc1CN1CCCC1=O)NNC(=O)c1cccnc1 40069072 OVCDPAQCAHOLSU-UHFFFAOYSA-N 367.409 1.348 50 40 FDGB O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CC[C@@H](B(O)O)C1 585076961 OWCNCBZOMLMHDN-CYBMUJFWSA-N 368.227 1.685 50 40 FDGB COc1cc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccccc2O)ccc1O 1633530 DNIZVVGRQYNGJF-LSDHHAIUSA-N 362.769 1.942 50 40 FDGB C=CCOc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1OC 59246770 IHRKEWHTLGAGKO-ODLFYWEKSA-N 367.833 1.696 50 40 FDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H]2C=CCC2)c1 8185106 ISBMONVBLXUTNX-GFCCVEGCSA-N 351.428 1.054 50 40 FDGB O=C(CCC(=O)c1cccs1)NNC(=O)c1ccc(-n2cnnn2)cc1 6652460 RMQCDQYZHYUCLE-UHFFFAOYSA-N 370.394 1.148 50 40 FDGB O=C(NN=C1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 5163428 RBPZOBMBIPKZGE-UHFFFAOYSA-N 365.455 1.757 50 40 FDGB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1 7003128 LUJHRIPSVWMJRE-UHFFFAOYSA-N 366.826 1.965 50 40 FDGB CCCn1nc(C(=O)NNC(=O)[C@H]2CC=CCC2)c2ccccc2c1=O 12917626 FLYQDGPZCJCBHA-ZDUSSCGKSA-N 354.410 1.924 50 40 FDGB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NNC(=O)c2ccoc2C)no1 16513099 HOGJLFRIEOXQRO-SNVBAGLBSA-N 366.399 1.406 50 40 FDGB Cc1ccc(CN2CCN(CC(=O)N/N=C\c3cccc(O)c3)CC2)cc1 31892869 NSJCTMHMBQPEJG-HMAPJEAMSA-N 366.465 1.969 50 40 FDGB COc1cccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1 35059341 ZHXNVIMXQTTZDH-PDGQHHTCSA-N 367.471 1.740 50 40 FDGB COCc1n[nH]c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 4494678 XKPQOIWJGOXMPZ-HNNXBMFYSA-N 372.381 1.800 50 40 FDGB CC(C)=NO[C@@H]1NC(Br)=C(C#N)[C@](C#N)(C(N)=O)C1(C)C 22134164 DERZXBAGGHGNQM-WCQYABFASA-N 354.208 1.480 50 40 FDGB O=S(=O)(O)C[C@H]1CSSC[C@@H](CS(=O)(=O)O)SS1 9090184 CBHYORIGHCURGO-OLQVQODUSA-N 372.558 1.276 50 40 FDGB biogenic COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1 2374138 KLQNTCWDRNJXKN-QGMBQPNBSA-N 370.373 1.128 50 40 FDGB COc1cc(C(=O)N/N=C/c2cc(C#N)n(C)c2C)cc(OC)c1OC 7986824 MVNMRUFGAUDKRV-KEBDBYFISA-N 356.382 1.995 50 40 FDGB CCOc1cc(/C=C(\C#N)C(=O)NCCCN2CCOCC2)ccc1O 16791034 OTWZWALDFIILQL-FOWTUZBSSA-N 359.426 1.536 50 40 FDGB C[C@@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)n1nnc2ccccc21 36042375 SKAARJGMQKABFC-VJCPFXPRSA-N 354.326 1.756 50 40 FDGB O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21)c1ccco1 20150144 HJLNMHBSQSLOOK-MNDPQUGUSA-N 354.366 1.050 50 40 FDGB O=C(CSc1nnc2ccccn12)NNC(=O)c1ccccc1Cl 8184875 MMNHYRDYUGICIF-UHFFFAOYSA-N 361.814 1.936 50 40 FDGB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccncc2)c(C)c1 6607083 BSIXIQQJOZYXIM-RGVLZGJSSA-N 374.466 1.778 50 40 FDGB N#CC1(C#N)[C@@H](c2ccccc2)[C@@H](Br)[C@]2(O)C[C@@]1(C#N)C(=O)N2 102676169 RZIYULXBHNHLCK-KLZCAUPSSA-N 371.194 1.299 50 40 FDGB NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 813090 ZBOIPCWLZGGCJE-UHFFFAOYSA-N 353.831 1.521 50 40 FDGB O=C(CC(=O)N/N=C/c1ccc2c(c1)OCCO2)NCCc1ccccc1 408721062 JLRBOVSKXRWVCX-HYARGMPZSA-N 367.405 1.657 50 40 FDGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)Nc4ccccc43)[C@H]2C1 13479779 LYNHTUSRHJUFBK-KKSFZXQISA-N 370.416 1.538 50 40 FDGB CCOc1ccccc1OCCC(=O)NNC(=O)Cn1nc(C)cc1C 12896303 WCEGWDVWSAGZMW-UHFFFAOYSA-N 360.414 1.515 50 40 FDGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc2c(c1)OCO2 408602340 BSNIWWDKRLPXJY-AWEZNQCLSA-N 370.390 1.973 50 40 FDGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccc([N+](=O)[O-])cc1 4647305 OSAIJTRKVJEVHY-MRXNPFEDSA-N 373.321 1.716 50 40 FDGB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NNC(=O)c1ccccn1 8274028 YRFACFVBDIRSOH-SNAWJCMRSA-N 359.769 1.981 50 40 FDGB COc1cccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)c1OC 4199140 KRWGZTHNBXDWEJ-HYARGMPZSA-N 369.421 1.903 50 40 FDGB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NNC(=O)[C@@H]1CCCO1 32260249 QMEQAHPTDCWCJW-LBPRGKRZSA-N 365.336 1.879 50 40 FDGB Cn1cc(I)c(C(=O)N/N=C/c2ccccc2)n1 787534 GOEPTYAWFUBZOU-VGOFMYFVSA-N 354.151 1.789 50 40 FDGB O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1cc[n+]([O-])cc1 1465056 MRTUZASIWNQCOJ-XDHOZWIPSA-N 351.318 1.896 50 40 FDGB O=S1(=O)C[C@H](SS[C@@H]2CS(=O)(=O)C[C@@H]2Cl)[C@H](Cl)C1 5002941 DZTDXYWZVGSPLW-SOSBWXJGSA-N 371.354 1.177 50 40 FDGB O=C(COc1cccc(F)c1)NNC(=O)c1cncn1-c1ccc(F)cc1 15468555 YMXXTAOVSLAMDO-UHFFFAOYSA-N 372.331 1.991 50 40 FDGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 38187585 WCGUZCPCQJRILE-VCHYOVAHSA-N 356.338 1.952 50 40 FDGB COc1ccc(O)c(/C=N/NC(=O)c2nn(C)cc2Br)c1 1092103 BCXAQZCNWYDSAD-GIDUJCDVSA-N 353.176 1.661 50 40 FDGB CC1(C)OC(=O)[C-]([C@@H](c2ccccc2)[C@@H](C#N)C(N)=C(C#N)C#N)C(=O)O1 100927224 ARBLWTRVIFZIDF-KGLIPLIRSA-N 363.353 1.581 50 40 FDGB IC[C@@H]1CO[C@H](CI)CO1 4995774 UJGCDSJISZRBPO-PHDIDXHHSA-N 367.952 1.640 50 40 FDGB in-vitro CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc([N+](=O)[O-])c1O 36007956 RJFWSCJVXRLDAQ-UWUHSAQLSA-N 361.354 1.901 50 40 FDGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1 15904473 BRLRLAPWRZQNEP-GFCCVEGCSA-N 357.366 1.492 50 40 FDGB CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C3CC3)cc2)CC1 902446 UKSQXYPUGLOAKG-UHFFFAOYSA-N 365.455 1.278 50 40 FDGB CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1 6358476 OANQKTMORAWRKY-UHFFFAOYSA-N 358.423 1.818 50 40 FDGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1 6497043 NUPMEFCDHIDZQF-CIAFOILYSA-N 368.393 1.290 50 40 FDGB CCN(CC)CN1C(=O)/C(=N\NC(=O)c2cccnc2)c2ccccc21 100191355 BNXJSXYSJGVCGZ-FXBPSFAMSA-N 351.410 1.862 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1OC 3062160 CRLQLMKUXMWHIL-FYJGNVAPSA-N 355.394 1.513 50 40 FDGB N#C/C(=C/c1c[nH]nc1-c1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 4980709 VBAFMJVCBNIWTM-ODDCISTRSA-N 356.407 1.287 50 40 FDGB CN1C(=C(C#N)C(=O)COC(=O)CCc2nc[nH]n2)N(C)c2ccccc21 97014056 BMKPUBMICCXLLN-UHFFFAOYSA-N 366.381 1.171 50 40 FDGB O=C(CCCc1nc(-c2ccccc2)no1)NNC(=O)c1ccccn1 9483671 FMNAPQMHNCWVHO-UHFFFAOYSA-N 351.366 1.916 50 40 FDGB CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(O)nc2=O)[C@@H]1F 585662429 KKWGVZHEXOEALO-OJAKKHQRSA-N 360.458 1.567 50 40 FDGB in-vitro O=C(NCCc1c[nH]c2ccccc12)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 575420800 FEBBJARXNHDQCQ-GXTWGEPZSA-N 355.847 1.414 50 40 FDGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3ncnc(O)c32)cc1OC 13479783 NLLGEMSETNCHQU-ZDUSSCGKSA-N 356.338 1.426 50 40 FDGB Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)Cn2nc(C)cc2C)c1 6427451 ROXONUQBSSNLJM-UHFFFAOYSA-N 356.426 1.927 50 40 FDGB Cc1cc(C)n2nc(CC(=O)NNC(=O)c3cccc4ccccc34)nc2n1 5429300 KBXUEBLHXZEZFK-UHFFFAOYSA-N 374.404 1.898 50 40 FDGB Cn1cc(/C=C/C(=O)NNC(=O)COc2ccc3ccccc3c2)cn1 84314561 KLYLBIOHPRAEMA-RMKNXTFCSA-N 350.378 1.813 50 40 FDGB O=C(CCCl)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 11665737 ARYJOOUFPPAOOB-UHFFFAOYSA-N 352.181 1.935 50 40 FDGB CC(C)c1ccc(OCC(=O)NC(=S)NNC(=O)c2ccncc2)cc1 6359045 QMRUBJNOXUHBCR-UHFFFAOYSA-N 372.450 1.920 50 40 FDGB CN(NC(=O)c1ccc([N+](=O)[O-])cc1)C1=NS(=O)(=O)c2ccccc21 59417228 GSZGZWXZOCAWHJ-UHFFFAOYSA-N 360.351 1.321 50 40 FDGB Cc1cc(C)nc(SCC(=O)NNC(=O)c2ccc3c(c2)OCO3)n1 6510137 KVNOKJBJKILURT-UHFFFAOYSA-N 360.395 1.375 50 40 FDGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(N)=O 408758576 MXXGGOJXROLSKL-XYOKQWHBSA-N 373.346 1.755 50 40 FDGB Cc1cc2ncc(C(=O)NNC(=O)COc3ccc(F)cc3)c(C)n2n1 32900165 ZXKXZEAQJNUELF-UHFFFAOYSA-N 357.345 1.325 50 40 FDGB COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O1 808914 IXKXMQXNGAKCNR-OAHLLOKOSA-N 374.349 1.199 50 40 FDGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cc(OC)c(O)c(OC)c1 57509086 BGDGFSXOIGFAHR-CYBMUJFWSA-N 370.789 1.819 50 40 FDGB CCOC(=O)N1CCN(CC(=O)C(C#N)=C2Nc3ccccc3N2)CC1 36329942 LHSNAVDDCGGDPZ-UHFFFAOYSA-N 355.398 1.602 50 40 FDGB N[C@H](Cc1cc([N+](=O)[O-])ccc1CN(CCCl)CCCl)C(=O)O 72266971 VEBTZMUIBMIPCD-CYBMUJFWSA-N 364.229 1.829 50 40 FDGB CCCNC(=S)NNC(=O)c1ccc(NNC(=S)NCCC)cc1 5936355 XCOLRCBTGRAICF-UHFFFAOYSA-N 368.532 1.407 50 40 FDGB CC1(C)[C@@H](O)[C@]2(Br)CC[C@]1(CC(N)=O)[C@@H]2Br 103708695 ZKWIBPNRADGAEX-OEIWMXHLSA-N 355.070 1.940 50 40 FDGB C/C(=N\NC(=O)C[C@H]1NC(Cc2ccccc2)=NNC1=O)c1ccco1 4729034 HIQZMMIDORSCAT-MQMKENTISA-N 353.382 1.154 50 40 FDGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O 409077067 CYQXPJOLYLBSCM-NGYBGAFCSA-N 374.309 1.297 50 40 FDGB Cc1occc1C(=O)NNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 9478223 XEQIOWBMWGNPLF-DYEKYZERSA-N 366.443 1.075 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1ccccc1F 20211661 NKCKEKJABUNKRP-VCHYOVAHSA-N 350.375 1.137 50 40 FDGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408968498 ZSAXQJXQLSJJNO-VXLYETTFSA-N 359.411 1.105 50 40 FDGB COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c1 4476313 KDJWYZMOCUDNSM-OAHLLOKOSA-N 356.334 1.367 50 40 FDGB COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccco2)c2ccccc21 5323228 LWGURBFUZTVTGD-PEZBUJJGSA-N 364.361 1.467 50 40 FDGB Cc1c(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cccc1[N+](=O)[O-] 28215575 AROBUHFOGYHTDB-DJKKODMXSA-N 356.338 1.531 50 40 FDGB CCO/C=N/C1=C(C#N)[C@H](c2cnn(C)c2)c2c(nn(C(C)=O)c2C)O1 36613067 YPCIAWBCPNYUSI-OMPOGXFXSA-N 354.370 1.909 50 40 FDGB O=C(CSc1nnnn1C1CC1)NNC(=O)c1c[nH]c2ccccc12 32408522 CAMXARZCEVIELX-UHFFFAOYSA-N 357.399 1.043 50 40 FDGB CN1CC[C@@H]2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)Nc4ccccc43)[C@H]2C1 102667703 NXNKRNUHHFRMIT-RAJNIJHNSA-N 358.405 1.228 50 40 FDGB Cc1cc(O)c(C)c(O)c1/C=N\NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1 4721475 LCVZCUCZLPIHDO-JEDCDISESA-N 367.405 1.695 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccn(C)n2)cc(Br)c1O 1091994 FKFBEMRDQKIZPK-VIZOYTHASA-N 353.176 1.661 50 40 FDGB CC(=O)NNc1nc(C)c(C(/C=C\c2ccccc2O)=N/NC(=N)N)s1 17215508 NTLVAKQUJICNDB-CDJIOJHDSA-N 373.442 1.521 50 40 FDGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccccc1C(=O)O 59444421 LVNKAIVPBSBRHU-VXLYETTFSA-N 355.350 1.791 50 40 FDGB CCOc1c(Br)cc(/C=C/C(=O)NNC(N)=S)cc1OC 62714741 JGZZSKHRLGMPRC-SNAWJCMRSA-N 374.260 1.734 50 40 FDGB CC(C)n1ncc2cc(C(=O)OCC(=O)NNC(=O)c3ccco3)cnc21 9691344 BMWSZSIMGWTPSH-UHFFFAOYSA-N 371.353 1.223 50 40 FDGB CN(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)C(Cl)Cl 60017060 BLTJEORGZNRUOT-UHFFFAOYSA-N 371.224 1.305 50 40 FDGB N#CCCCN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21 6133412 GOMIBROJPFXAOF-YMNYDYPGSA-N 362.389 1.891 50 40 FDGB O=C(Cc1ccccc1)NN[C@H](C(=O)N1CCOCC1)c1ccccc1 8777350 JJZWTPYSBUUGHW-IBGZPJMESA-N 353.422 1.450 50 40 FDGB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccccc3)C2=O)c1 408536192 QGBRJJLAENDUNX-BBJIBYMTSA-N 364.361 1.610 50 40 FDGB Nc1nonc1C(=O)N/N=C/c1ccc(I)cc1 704626 VJKKMXKQDPKNTO-WLRTZDKTSA-N 357.111 1.020 50 40 FDGB CC(=O)c1ccc(NC(=O)/C(=N/NC(N)=O)[C@@H](C#N)CC(C)(C)C=O)cc1 104290404 JXQAYEPFUXEYML-ZGIZLIOWSA-N 371.397 1.607 50 40 FDGB O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccc2c(c1)OCO2 12682882 KHLJAXJHAJNBSE-UHFFFAOYSA-N 366.333 1.381 50 40 FDGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cc(C)n[nH]2)cc1 4137285 IJPLJIUVZOMQSY-VMPITWQZSA-N 359.411 1.076 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)c(OC)c1 4702991 RFLWFQIFNNOWTG-DJKKODMXSA-N 371.349 1.521 50 40 FDGB CCn1nnc2cc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc21 8987498 OLHIOSZEVPMFNI-INIZCTEOSA-N 367.365 1.052 50 40 FDGB Cc1occc1C(=O)NNC(=S)NC(=O)c1ccc(Br)o1 2135398 ZAVYLMIHBDHHJY-UHFFFAOYSA-N 372.200 1.893 50 40 FDGB O=C(COc1cccc(F)c1)NNC(=O)c1cncc(Br)c1 7777043 BDNCAODCDLXDCF-UHFFFAOYSA-N 368.162 1.823 50 40 FDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1Cl 9930871 QPYUAYVWTLSWMD-ZETCQYMHSA-N 351.211 1.189 50 40 FDGB O=S1(=O)C[C@H](Cl)[C@H](NC(=S)Nc2ccc3ncccc3c2)C1 575425790 WODDRGVICRHYGO-WCQYABFASA-N 355.872 1.926 50 40 FDGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccccc1C(=O)O 4132505 OVIIXQKUAYGMGR-XYHOIZSOSA-N 365.389 1.851 50 40 FDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 101306725 GNDLTVANPJKTOS-DDGKQPTKSA-N 358.872 1.522 50 40 FDGB Cn1cc(Cl)c(C(=O)NNC(=O)c2ccc(Br)cc2)n1 1061916 SRMUVUAYAJPTHK-UHFFFAOYSA-N 357.595 1.911 50 40 FDGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 107895202 NTOWRACHDKIZJG-CAOOACKPSA-N 372.293 1.925 50 40 FDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1 30549114 XNGCZNWJSARQHK-AWEZNQCLSA-N 353.378 1.509 50 40 FDGB Cc1cc(C(=O)NNC(=O)[C@@H]2CCC(=O)NC2)c(C)n1-c1ccccc1 61255226 STDRQXGWYFAITP-CQSZACIVSA-N 354.410 1.381 50 40 FDGB O=c1[nH]cc(N/N=C/c2ccc(N(CCCl)CCCl)cc2)c(=O)[nH]1 4707447 OHVCDKPZSFASGV-DJKKODMXSA-N 370.240 1.793 50 40 FDGB CC(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 408777136 VXKAUHOVQCYCBW-KEBDBYFISA-N 356.382 1.621 50 40 FDGB C[C@H](CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 12867618 DAVRSXWNXYPCPB-CYBMUJFWSA-N 364.405 1.888 50 40 FDGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccccc1 8939638 PVYATGIKPBACJQ-UHFFFAOYSA-N 358.217 1.411 50 40 FDGB CN(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 8042715 NFFDRAYRVLNXGO-CXUHLZMHSA-N 355.803 1.704 50 40 FDGB COc1ccccc1C(=O)N/N=C\C=N\NC(=O)c1ccccc1OC 104072249 XRPUCVKYEMAOAU-UHWBUFEVSA-N 354.366 1.835 50 40 FDGB CCCCC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 14241085 DPVOURXBGRXIHV-UHFFFAOYSA-N 361.851 1.298 50 40 FDGB COc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 408615811 SKXSWKMPBHYROI-CQSZACIVSA-N 353.378 1.509 50 40 FDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3C)CC2=O)cc1 46577612 FRZUUSAILBDPQC-AWEZNQCLSA-N 367.405 1.818 50 40 FDGB CC1(C)[C@@H](O)[C@@]2(Br)CC[C@]1(CC(N)=O)[C@@H]2Br 85398928 ZKWIBPNRADGAEX-GISOBZBCSA-N 355.070 1.940 50 40 FDGB COc1cccc(C(=O)NCC(=O)N/N=C/c2cc(OC)ccc2OC)c1 4079631 LGRVVBRDIUMIHD-SRZZPIQSSA-N 371.393 1.593 50 40 FDGB CCOc1cccc(N2C(=O)C[C@H](NNC(=O)c3cccc(F)c3)C2=O)c1 100106896 MUUGNLJZPRLITN-INIZCTEOSA-N 371.368 1.791 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 840325 KWVVCUPSOLJSLB-UHFFFAOYSA-N 360.366 1.796 50 40 FDGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccncc2)c(OC)c1 4805271 JQMWZRRBESZPSO-CIAFOILYSA-N 356.382 1.369 50 40 FDGB CN(C)N(C(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 9154844 ZQEXSAJILQPIDT-LBPRGKRZSA-N 361.261 1.555 50 40 FDGB Cn1cc(Br)cc1C(=O)NNC(=O)Cc1cccc(F)c1 33234416 LCDIMELAYOKXLD-UHFFFAOYSA-N 354.179 1.930 50 40 FDGB CCOc1ccccc1/C=N\NC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 223158035 LHOOIJAZZCHVPK-NDENLUEZSA-N 369.377 1.961 50 40 FDGB O=C(NN=Cc1cccc2nonc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 20027283 SQBLMWQIPLCBSE-UHFFFAOYSA-N 356.254 1.803 50 40 FDGB O=C(CN1CCCc2ccccc21)NNC(=O)[C@H]1COc2ccccc2O1 40161065 RFEOSMOSQRLTKG-GOSISDBHSA-N 367.405 1.427 50 40 FDGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCOCC3)=C2C#N)cc1 6477676 QLXLQVUHRRIZSV-OAHLLOKOSA-N 371.462 1.926 50 40 FDGB COc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3cccc(OC)c3)C2=O)cc1 1077573 LECGXNUONLRTAI-MRXNPFEDSA-N 369.377 1.270 50 40 FDGB CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1cnccn1 100523052 WXIQWMZKOBWMDJ-SSDVNMTOSA-N 354.370 1.570 50 40 FDGB N#CC1=C(c2ccc(Br)cc2)N[C@H]2SCC(=O)N2C1=O 226758083 WYTTVXPFDOFRPP-CYBMUJFWSA-N 350.197 1.673 50 40 FDGB O=C1N=C(O)N(C2CCCCCC2)C(=O)/C1=C\NNC(=O)c1ccccc1 17198500 IFQOALVQYWPPLG-QINSGFPZSA-N 370.409 1.811 50 40 FDGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c1 59459771 UAENCLCRVDUCIC-VCHYOVAHSA-N 372.337 1.701 50 40 FDGB Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(F)cc1F 8778665 JRQPJTWCBCONIJ-UHFFFAOYSA-N 366.349 1.544 50 40 FDGB COc1cccc([C@H]2[C@@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 808788 MBCQANQVBIAVQP-MOPGFXCFSA-N 373.416 1.967 50 40 FDGB C/C(=N\NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccn1 6686740 AVEVDIXLYOYBNN-GIJQJNRQSA-N 352.803 1.536 50 40 FDGB CCc1sc(C(=O)NNC(=O)CSc2nc(C)cc(N)n2)cc1C 32938038 RNRYFSOCPBJTBJ-UHFFFAOYSA-N 365.484 1.853 50 40 FDGB CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21 6211799 MTEWSHXQHQJLGW-JWGURIENSA-N 354.341 1.052 50 40 FDGB C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(CO)c2ccccc21 5437349 LJGRAPKWBNLOPK-APBUJDDRSA-N 351.362 1.198 50 40 FDGB C/C(=N\NC(=O)COc1cccc(C)c1)c1cccc(-n2cnnn2)c1 7040944 USUFAGGJZOOTBR-XSFVSMFZSA-N 350.382 1.890 50 40 FDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccc(Cl)cc1 6201587 SBVUCAFZXKLGDP-JBBSTSQOSA-N 350.758 1.145 50 40 FDGB Cc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2)cc1 8353886 WRCQGWRDEVQIRU-UHFFFAOYSA-N 361.423 1.125 50 40 FDGB COc1cccc(OCC(=O)NNC(=O)c2c(OC)cccc2OC)c1 2251556 GGDYSYRUNGIDQS-UHFFFAOYSA-N 360.366 1.552 50 40 FDGB Cc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)c(C)c1 20208091 WUILWFAQMZKNDZ-YBFXNURJSA-N 360.439 1.615 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 5772152 PLXIRFTXQUSIRQ-UHFFFAOYSA-N 355.759 1.872 50 40 FDGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3cccc(O)c3)CC2)cc1 19366981 NSJCTMHMBQPEJG-HYARGMPZSA-N 366.465 1.969 50 40 FDGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1 409138098 ZXCODCUCHBFUHW-HUUCEWRRSA-N 374.418 1.721 50 40 FDGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O 408975896 OWHGCQNCPHBMAW-REZTVBANSA-N 359.294 1.428 50 40 FDGB CCS(=O)(=O)[C@H](I)C(=O)c1cccc(N)c1 96517957 NNVGRAYVDLHGGI-JTQLQIEISA-N 353.181 1.647 50 40 FDGB Cn1cc(Br)c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)n1 1087011 VBNXTLYXDCIMNK-MKMNVTDBSA-N 352.148 1.855 50 40 FDGB COc1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1OC 5335477 IGRFTNRYKUJEPG-CIAFOILYSA-N 356.382 1.255 50 40 FDGB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccco3)C2=O)cc1 6502071 AORZMHMYBKVYKN-BEAUZRKQSA-N 354.322 1.203 50 40 FDGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CN3CCOCC3)o2)c1 59246922 MARQJQAWSVRSLX-UDWIEESQSA-N 371.393 1.516 50 40 FDGB O=C(O)CP(=O)(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 3466522 LBWVIWKELIVBDX-UHFFFAOYSA-N 350.223 1.902 50 40 FDGB CC(C)CCO[C@H](C)C(=O)NNC(=O)c1cc(Br)cn1C 71831392 YXUWOCMSGWPFLM-SNVBAGLBSA-N 360.252 2.000 50 40 FDGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1 409186437 BZQQMMBCDOBMGT-WJDWOHSUSA-N 358.394 1.783 50 40 FDGB NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Br)c2)c1 225500484 GIPMHNJDBFAUNY-UHFFFAOYSA-N 370.228 1.853 50 40 FDGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cccc(OCC(N)=O)c1)OCO3 85408902 MVIWCUACEBHDTI-SFHVURJKSA-N 365.345 1.498 50 40 FDGB O=C(NC(=S)NNC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 12502056 KSHIMMCLGQZGLJ-UHFFFAOYSA-N 350.381 1.606 50 40 FDGB CCCCCCC(=O)NN/C=C1/C(=O)NC(=S)N([C@@H](C)CC)C1=O 2382425 AOXNJCIOAOFNDR-NIANNCQZSA-N 354.476 1.503 50 40 FDGB COc1ccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)cc1OC 3211553 YKCKXNCQNLSTNM-VXLYETTFSA-N 358.350 1.931 50 40 FDGB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)c1cccs1)C2=O 9378042 CYKGBRVUJXQHDS-QLJPJBMISA-N 364.427 1.010 50 40 FDGB Cc1nn(CC(=O)N/N=C/c2c(C)nn(C)c2F)c(C)c1Br 252485589 GZMNLPHDXAQSBR-FZSIALSZSA-N 371.214 1.594 50 40 FDGB COc1ccc(-c2c[nH]nc2-c2ccc(OCC(=O)NN)cc2O)cc1 18102013 FMXIAFKGONZVJZ-UHFFFAOYSA-N 354.366 1.827 50 40 FDGB O=C(Cc1ccc(Cl)cc1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 869525 KNXVLQFHABMUAV-UHFFFAOYSA-N 369.786 1.800 50 40 FDGB COc1ccccc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 2726465 CUPSHNMUHZMOMV-UHFFFAOYSA-N 360.366 1.796 50 40 FDGB CCc1ccccc1N(CC(=O)NN=C1CCN(C)CC1)S(C)(=O)=O 8088040 TXNHVYXERXHIEH-UHFFFAOYSA-N 366.487 1.213 50 40 FDGB Cc1c(C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)oc2ccccc12 24124751 NDTLETUQICMDCR-LLVKDONJSA-N 350.396 1.327 50 40 FDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1 103518852 VHEPAUMSZQSNDT-DWKHYPNZSA-N 371.418 1.378 50 40 FDGB CCOc1cc(/C=N/NC(=O)OC)cc(Cl)c1OS(C)(=O)=O 4525974 IDXVPVDWAOENPX-VGOFMYFVSA-N 350.780 1.767 50 40 FDGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1O 408913376 TWOQODFDVVEFQP-DDLUMYACSA-N 371.393 1.905 50 40 FDGB Cc1cc(O)c(C)c(O)c1/C=N/NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1 12445141 LCVZCUCZLPIHDO-VTEVGKKQSA-N 367.405 1.695 50 40 FDGB N#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 3099939 ZOWVQEWXCNISPH-VIFPVBQESA-N 350.165 1.621 50 40 FDGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccs3)CC2=O)cc1 6452234 SNLDGAXMXPOJMH-LBPRGKRZSA-N 373.434 1.961 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)c2c[nH]c(=S)n2-c2ccccc2)n1 12666834 HRVWMIQNNPNLAB-UHFFFAOYSA-N 370.438 1.809 50 40 FDGB O=C(CCc1ccccc1)NCC(=O)N/N=C1\C(=O)Nc2ccccc21 6061057 FCASSDAHHCEONK-UHFFFAOYSA-N 350.378 1.208 50 40 FDGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c1 4476314 NOQCUGQBFLXYAV-HNNXBMFYSA-N 356.334 1.367 50 40 FDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1Cc1ccccc1 9930913 OHAMLXUAQDZUEX-INIZCTEOSA-N 372.446 1.473 50 40 FDGB O=C(CI)Nc1ccc2c(C(=O)O)cc(=O)oc2c1 2526396 OCVOJISWTFRDSP-UHFFFAOYSA-N 373.102 1.865 50 40 FDGB in-vitro C/C(CC(=O)C(F)(F)F)=N\NC(=O)Cn1nnc(-c2ccccc2)n1 103056804 NHJANSJCXHANLG-GIJQJNRQSA-N 354.292 1.354 50 40 FDGB CC(=O)Nc1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)N2CCCC2)cc1 100071208 HLDSQAAWRYDIDX-CIAFOILYSA-N 373.413 1.088 50 40 FDGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc([N+](=O)[O-])c1O 36007955 RJFWSCJVXRLDAQ-XEVNVYFWSA-N 361.354 1.901 50 40 FDGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)[C@H](O)c1ccccc1 18137132 XKGIMRVGIRCHJY-QWSZEGLUSA-N 350.378 1.861 50 40 FDGB Cc1nc2cc(F)ccc2cc1C(=O)NNC(=O)C(=O)NCc1ccco1 8718113 HKGJSRLPPHHFHO-UHFFFAOYSA-N 370.340 1.353 50 40 FDGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1 408732794 ZEGFMZWFVLAYKS-OVCLIPMQSA-N 362.371 1.488 50 40 FDGB O=C(COc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 5569934 LWKZPFNKOMNRTD-QWHCGFSZSA-N 354.790 1.757 50 40 FDGB Cc1ccc(-n2nnc3c(N4CCN(C(=O)CCl)CC4)ncnc32)cc1 12310202 CEBIPRJJWOOTQH-UHFFFAOYSA-N 371.832 1.406 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2cc3cc(OC)ccc3oc2=O)cc1 1498477 JSFFVMZZSPGNDI-UHFFFAOYSA-N 368.345 1.885 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 5359342 JVIWZRHUCHDTSY-UHFFFAOYSA-N 360.366 1.796 50 40 FDGB O=C(O)COc1ccccc1/C=N/NC(=O)Cn1nnc2ccccc21 5716925 DZJBYZGYVCFTQB-GIJQJNRQSA-N 353.338 1.045 50 40 FDGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 13013660 XWSODBGIAKFVRH-CAOOACKPSA-N 372.293 1.925 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)/C=C/c2cccc(OC)c2)cc1 3553370 WWEQJALPUROMPD-IZZDOVSWSA-N 356.378 1.943 50 40 FDGB C/C(=N\OCC(=O)NNS(=O)(=O)c1ccc(C)cc1)c1cccs1 4147327 HFNHBUVVQRKJOR-SFQUDFHCSA-N 367.452 1.807 50 40 FDGB O=C(N/N=C/c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccccc1O 9359725 PTPPWVXAXYWEHA-KEBDBYFISA-N 365.345 1.769 50 40 FDGB CO[C@H](CCN1C(=O)c2ccccc2C1=O)[C@@H](Br)C(=O)O 1706623 NMGSJFZNBDUBIX-GHMZBOCLSA-N 356.172 1.536 50 40 FDGB Cn1/c(=N\NC(=O)c2ccccc2S(C)(=O)=O)sc2ccccc21 102805526 NTBSMVGKJNPIEY-FBMGVBCBSA-N 361.448 1.889 50 40 FDGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc([N+](=O)[O-])ccc1O 3115448 SWJJOTUCDHONTP-UFWORHAWSA-N 360.301 1.320 50 40 FDGB COc1cccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)c1 101313706 FPOZLAHCCBXPOF-UWLOGMJLSA-N 374.871 1.535 50 40 FDGB Cc1ccc(CN2C[C@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1 3344349 AASARQFBZQUVBH-MRXNPFEDSA-N 369.396 1.944 50 40 FDGB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NN)CC1 408700841 MUTZHURUNFHAGE-UHFFFAOYSA-N 355.460 1.209 50 40 FDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 409248083 BUYVXYMIIKHAJW-PVGUKEHMSA-N 374.441 1.053 50 40 FDGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(S(N)(=O)=O)cc1 4976878 INVKWGFLUPMWSG-FMIVXFBMSA-N 372.362 1.788 50 40 FDGB CCOP(=O)(OCC)C(C#N)=C(SCC(N)=O)SCC(N)=O 6350746 HRNAGIHERYVOQJ-UHFFFAOYSA-N 367.389 1.382 50 40 FDGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 105852042 OFHFSICTZGSJMC-LZYBPNLTSA-N 360.282 1.981 50 40 FDGB O=C(COc1ccccc1Cl)NNC(=O)CSc1ncccn1 4889295 CMCKRZFEINDXFX-UHFFFAOYSA-N 352.803 1.449 50 40 FDGB COc1ccccc1CC(=O)NNC(=O)c1cc(Br)c[nH]1 8123279 YLLCXPIEQZIRPH-UHFFFAOYSA-N 352.188 1.790 50 40 FDGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1cccnc1)c1ccccc1Cl 9255315 FGSJLWTUCHPFTN-ZDUSSCGKSA-N 361.789 1.296 50 40 FDGB COc1ccc(Br)c(C(=O)NNC(=O)c2ccccn2)c1 9746119 GQVWFVQBIYCFPV-UHFFFAOYSA-N 350.172 1.928 50 40 FDGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(N)=O)ccc1OC 409333329 JLZWYWDUBICLAX-NHDPSOOVSA-N 371.393 1.722 50 40 FDGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc([N+](=O)[O-])ccc1O 409144012 JGKFGNGDQVUQBH-CNHKJKLMSA-N 358.310 1.591 50 40 FDGB O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccc(NC(=O)C2CC2)cc1 4657097 YCEDKBMRXBWBFZ-CABCVRRESA-N 373.409 1.687 50 40 FDGB O=C(N/N=C/c1ccncc1)c1cccc(S(=O)(=O)N2CCCC2)c1 3470212 ZTDUBEIWCKOKLZ-CPNJWEJPSA-N 358.423 1.630 50 40 FDGB COc1ccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 677815 YNZPAVZLIRIYAC-UHFFFAOYSA-N 351.340 1.227 50 40 FDGB O=C(CCN1CCOCC1)NNC(=S)Nc1ccc(OC(F)F)cc1 25748173 WBEFRDTUPDQYHD-UHFFFAOYSA-N 374.413 1.328 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)c2cc(C)n[nH]2)c(Br)c1 6565304 YTPLLVHBCSAESC-UHFFFAOYSA-N 367.203 1.629 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)n1 7784721 SSUDOOZLVSOXNI-LLVKDONJSA-N 373.438 1.394 50 40 FDGB CS(=O)(=O)[C@H](I)C(=O)c1ccc([N+](=O)[O-])cc1 96517909 KWWODLRSOOLAFW-VIFPVBQESA-N 369.136 1.583 50 40 FDGB N#CC1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C#N)[C@H]1c1ccco1 2346686 HBGHHVGJNJENMJ-GSHXUFRSSA-N 362.370 1.047 50 40 FDGB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NNC(=O)c1cccs1 12613554 FNFGTENXMBVLNQ-KWBADKCTSA-N 368.484 1.235 50 40 FDGB COc1ncccc1CNC(=O)NNC(=O)COc1c(C)cccc1C 26384435 FVNOBVJALGDQLF-UHFFFAOYSA-N 358.398 1.616 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1 4702985 SIQBZTMEFMCNGZ-VCHYOVAHSA-N 372.337 1.701 50 40 FDGB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NN 408563014 SWHVRIQIVSEMGW-UHFFFAOYSA-N 361.423 1.115 50 40 FDGB COc1cc(C(=O)NNC(=O)CN2CCC[C@@H](C)C2)cc(OC)c1OC 14199886 VGMMOOWOPIAAAB-GFCCVEGCSA-N 365.430 1.205 50 40 FDGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccs2)c2ccccc21 5562452 HWARBJYVWZEBLO-PGMHBOJBSA-N 368.418 1.531 50 40 FDGB C#CCN1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(OC(F)F)c1 72254994 MWRYWDDDHJAQPB-CQSZACIVSA-N 351.353 1.537 50 40 FDGB COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)CCl)s1 408731205 LGCMTAZNTKCXRL-LZYBPNLTSA-N 367.818 1.417 50 40 FDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(O)c(OC)c2)cc1 223158835 FHLYGHIFTXDCCH-GRSHGNNSSA-N 371.349 1.276 50 40 FDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccncc1 4179119 DJBNPGJSKJRXLG-XDHOZWIPSA-N 355.354 1.590 50 40 FDGB COc1ccccc1NC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 5676454 OSVQUZVVAHOKOG-UHFFFAOYSA-N 371.437 1.998 50 40 FDGB C[C@@H]1C(=O)NN=C1C(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 102944659 WBILXTCCANAPOU-NTOSSWPYSA-N 354.322 1.071 50 40 FDGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(N(C)C)cc2)s1 408729873 DUFOCCYDLKOHQH-LICLKQGHSA-N 360.443 1.645 50 40 FDGB Cc1ccccc1CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 9314039 NWWBOQJNXXHSIM-UHFFFAOYSA-N 360.439 1.292 50 40 FDGB CS(=O)(=O)[C@H](I)[C@@H](O)c1cccc([N+](=O)[O-])c1 96519178 YROABAIEPSXDHW-IUCAKERBSA-N 371.152 1.434 50 40 FDGB COc1ccc(Cl)cc1C(=O)N/N=C(\C)Cn1cnc([N+](=O)[O-])n1 5480065 PPUPDBQWXSLJTF-LZYBPNLTSA-N 352.738 1.654 50 40 FDGB CC(=O)NNC(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S 2584107 DBSGAIPHRLZXTJ-YFHOEESVSA-N 355.466 1.507 50 40 FDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 28214313 LXVWDYISVKMJGU-UDWIEESQSA-N 360.458 1.526 50 40 FDGB COc1c(/C=N/NC(N)=S)c(C[C@@H](C)Cl)c(OC)c2c1OCO2 15106240 RKKNAVSJXMZZCH-AEBIVVHDSA-N 359.835 1.769 50 40 FDGB O=C(O)[C@@H](CI)C(O)(C(F)(F)F)C(F)(F)F 3083750 CYGXBVFUNOZNGA-UWTATZPHSA-N 365.995 1.978 50 40 FDGB Cc1nnc(SCC(=O)NNC(=O)c2ccco2)n1-c1ccccc1 892078 JMCHINLHXTVZGM-UHFFFAOYSA-N 357.395 1.722 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 59434359 BQDVGNZBWCLBSZ-RGVLZGJSSA-N 355.350 1.160 50 40 FDGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)NCC)c1C 3382303 BBPFUPPMQXPHHO-OQLLNIDSSA-N 360.414 1.811 50 40 FDGB CCOc1cc(/C=N/NC(C)=O)cc(Br)c1OCC(=O)OC 409009240 CHLNZFZYAJPOIA-FRKPEAEDSA-N 373.203 1.870 50 40 FDGB COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)C2CCCC2)CC1=O 84144652 HWIPROLIEUBVHA-AWEZNQCLSA-N 359.426 1.694 50 40 FDGB O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)Cc1nc2ccccc2[nH]1 32679797 QGXCTKZVEKFFHP-MDZDMXLPSA-N 365.349 1.874 50 40 FDGB N[C@@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(=O)O 1675892 NFPHAUIPMMUEFQ-QWRGUYRKSA-N 374.440 1.159 50 40 FDGB NNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]21 4301220 ACXXOPXBWJSGGQ-ARFRRWFKSA-N 354.454 1.464 50 40 FDGB CNC(=O)/C(C#N)=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 408962236 RFZZQIARGFZGOL-UVTDQMKNSA-N 352.394 1.153 50 40 FDGB COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cc(F)cc(F)c2)c1 14245822 WFDSTTPJWFURGV-UHFFFAOYSA-N 372.349 1.605 50 40 FDGB O=C(CBr)OC[C@@H](CCl)OC(=O)CBr 2044330 AXHNSPQWAATFEX-RXMQYKEDSA-N 352.406 1.470 50 40 FDGB O=C(CCNC(=O)c1ccc2ccccc2c1)NNC(=O)c1cccnc1 24562409 PTNKQUQRALUTGO-UHFFFAOYSA-N 362.389 1.816 50 40 FDGB COc1ccccc1/C=C/C(=O)OCC(=O)NNC(=O)c1ccccc1 3297930 OJSZQDXSXYUHML-VAWYXSNFSA-N 354.362 1.713 50 40 FDGB COc1ccc(C)c(N2C(=O)C[C@H](NNC(=O)c3ccccc3)C2=O)c1 2372675 BVQMFJKILCFWRE-HNNXBMFYSA-N 353.378 1.570 50 40 FDGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1O 110261456 OSZGDWYCCGGZKN-MFOYZWKCSA-N 374.309 1.910 50 40 FDGB O=C(NNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccco1 9514488 HBRXXPCJXWMPAU-UHFFFAOYSA-N 359.357 1.732 50 40 FDGB Cc1oc(-c2ccccc2)nc1C(=O)NNC(=O)Cn1c(C)csc1=O 9951156 SKVIJKHKYUXMGT-UHFFFAOYSA-N 372.406 1.643 50 40 FDGB Cc1cc(O)c(C)c(O)c1/C=N/NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1 12445138 LCVZCUCZLPIHDO-JQYSCEIUSA-N 367.405 1.695 50 40 FDGB CCN1C(=O)/C(=N\NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 103461836 NYTGAYNLZVJDJN-STZFKDTASA-N 365.315 1.789 50 40 FDGB O=C(NN[C@H]1CC(=O)N(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 100571996 LQLTUDNDBXPKLM-AWEZNQCLSA-N 354.322 1.161 50 40 FDGB COc1ccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 13265048 JVWQQMIVRVHJKO-UHFFFAOYSA-N 350.352 1.017 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2F)cc1C 7517527 KPXRZTQYNUZXFM-UHFFFAOYSA-N 352.387 1.831 50 40 FDGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@@H](O)c1ccccc1 409356302 GMDOMLPYEFNXRN-DAQNXSASSA-N 353.334 1.791 50 40 FDGB O=CN/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1 16805093 INVDOTHCUSWPPP-VIFPVBQESA-N 371.216 1.026 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1 1436459 KVQKXZVSTBFFGG-RGVLZGJSSA-N 372.377 1.776 50 40 FDGB O=C(NN/C=C1/C(=O)N(Cc2ccco2)C(=O)N=C1O)c1ccccc1O 4856550 UFOCEBOQGSMGAT-XYOKQWHBSA-N 370.321 1.222 50 40 FDGB O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1coc(Br)c1 30570146 SLXNDGJTQANNKU-UHFFFAOYSA-N 353.176 1.719 50 40 FDGB CCOC(=O)COc1ccc(/C=N/NC(=O)CC#N)cc1Br 4513402 VBRWSYJMTRZCHY-CAOOACKPSA-N 368.187 1.755 50 40 FDGB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1ccccn1 8197667 LZYINUJBPVCYMQ-QGZVFWFLSA-N 368.437 1.996 50 40 FDGB CC1(C)[C@@H](O)[C@@]2(Br)CC[C@@]1(CC(N)=O)[C@H]2Br 242750300 ZKWIBPNRADGAEX-YJFSRANCSA-N 355.070 1.940 50 40 FDGB COc1ccc2nc(C(=O)NNC(=O)COc3cc(C)on3)ccc2c1 12695650 BKTXQMMXZPUPCT-UHFFFAOYSA-N 356.338 1.380 50 40 FDGB COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1cccc(Cl)c1 12684837 KVCCATQJSOCCLU-UHFFFAOYSA-N 374.827 1.811 50 40 FDGB CCOc1ccc(C(=O)NNS(=O)(=O)c2cccc(C(C)=O)c2)cc1 6588883 PXBITPJVLPKEOJ-UHFFFAOYSA-N 362.407 1.911 50 40 FDGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OC 409251778 WDXPYBBZMLSIRG-WTKPLQERSA-N 368.187 1.958 50 40 FDGB COc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1[N+](=O)[O-] 408919657 ZVCCZPJJXDNWRU-PXNMLYILSA-N 360.282 1.981 50 40 FDGB Cc1ccc(-c2ccc(/C=N/NC(=O)CN3CCOCC3)o2)cc1[N+](=O)[O-] 19848501 KOSIRPOFLSHMNW-YBFXNURJSA-N 372.381 1.946 50 40 FDGB COc1cc(OC)cc(C(=O)NCC(=O)N/N=C/c2ccccc2OC)c1 4079652 LUKSKHOIOXIGKC-SRZZPIQSSA-N 371.393 1.593 50 40 FDGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 1956126 XJBNVSLXTHVTEI-XDHOZWIPSA-N 374.466 1.490 50 40 FDGB N#C/C(=C\c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(N)=O 890482 PTCLFKRCWTXRPM-XETPBLJFSA-N 352.394 1.329 50 40 FDGB CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 211280319 SRTFXRVYTQMXKI-GDNBJRDFSA-N 374.393 1.403 50 40 FDGB O=C(/C=C(\O)c1ccccc1)C(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 102768340 XYCVKUPVCGCSKJ-UVTDQMKNSA-N 355.306 1.524 50 40 FDGB Cc1[nH]c2ccc(CNC(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2c1C 65696362 QYGLZQAHAMTQNK-QGZVFWFLSA-N 364.471 1.666 50 40 FDGB COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)O)cc1O 94992731 LSXBXSOFXLWRMK-NVMNQCDNSA-N 357.322 1.188 50 40 FDGB CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@@H]1SC#N 5048027 BPVKXUSSTFCNFF-OPDFLTKYSA-N 354.340 1.067 50 40 FDGB Cc1cccc(C(=O)NNC(=O)[C@@H](C)Nc2ccc3c(c2)NC(=O)CO3)c1 12644481 ODBTWQOKRZRHIL-GFCCVEGCSA-N 368.393 1.588 50 40 FDGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OC 5024185 UELBWGYDTOJCCL-MRXNPFEDSA-N 369.377 1.927 50 40 FDGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1O 409048693 UPAWDTDYMORNCW-QGMBQPNBSA-N 373.321 1.731 50 40 FDGB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 1093640 GSZWSSMONJPEIX-NTEUORMPSA-N 358.423 1.395 50 40 FDGB Cc1cc(C)nc(N2CCC(C(=O)NNC(=O)c3ccccc3)CC2)n1 15935932 DTBYEHNQHUUXMT-UHFFFAOYSA-N 353.426 1.771 50 40 FDGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(OC)c2)cc1 5513558 OMBIHZOHWAHWLZ-VXLYETTFSA-N 358.350 1.931 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)cc(Cl)c1O 6958737 QTAKOWZTBWXCII-GIJQJNRQSA-N 357.794 1.047 50 40 FDGB CSc1cccc(N2C[C@@H](C(=O)NNC(=O)c3cccnc3)CC2=O)c1 27063453 ZAJMJJXCSABFRX-ZDUSSCGKSA-N 370.434 1.618 50 40 FDGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cccnc1 2266629 CLZJZIXIFBJHMO-DJKKODMXSA-N 361.199 1.724 50 40 FDGB COc1ccc(CCC(=O)N[C@]2(C(F)(F)F)C(=O)NC(C)=C2C#N)cc1 5186770 ALWOWMJURRBCDT-INIZCTEOSA-N 367.327 1.972 50 40 FDGB CCNC(=O)NC(=O)[C@@H](NNC(=O)c1ccccc1F)c1ccccc1 14066188 OTGNJMJSHZFUHK-HNNXBMFYSA-N 358.373 1.647 50 40 FDGB Cc1nn(C)c(C)c1CC(=O)NNC(=O)CN1CCCc2ccccc21 29710028 JIXSMFOYXBMNRC-UHFFFAOYSA-N 355.442 1.180 50 40 FDGB CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O 7928256 CSYXOHPJPXSSLP-HNNXBMFYSA-N 367.405 1.899 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)[C@H](C)NC(=O)c2ccccc2)c1 3112301 XSEDUFOPPQGBDD-DZUMZMOTSA-N 355.394 1.972 50 40 FDGB COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)cc1 2048783 IFXFLPMMUOUVJY-UHFFFAOYSA-N 359.407 1.410 50 40 FDGB CCS(=O)(=O)[C@H](I)[C@H](O)c1cccc(N)c1 96519260 YGHPCQOHYSRPQM-ZJUUUORDSA-N 355.197 1.498 50 40 FDGB COCc1[nH]nc2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 5013097 AUCHYNZPNNDMOM-AWEZNQCLSA-N 372.381 1.800 50 40 FDGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)n1 36207474 ANVVWOOVYDIKGG-FRKPEAEDSA-N 361.383 1.950 50 40 FDGB COC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(C)cc1 2309975 OAGKVOWNNWQVPT-KGLIPLIRSA-N 359.407 1.792 50 40 FDGB Cc1cccc(OCC(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)c1C 6302598 HYTJIEDZSOZANN-LZYBPNLTSA-N 352.368 1.672 50 40 FDGB O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccc(O)cc1 6609107 MHARKUCJOTZRJX-UHFFFAOYSA-N 352.350 1.023 50 40 FDGB CCOC(=O)C[C@H](Br)C(=O)CN1C(=O)c2ccccc2C1=O 95481723 SYYWTCVNGIOQAS-NSHDSACASA-N 368.183 1.568 50 40 FDGB O=C(N/N=C/c1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccccc2)C1 3176548 WJNBGVUGQIWCRT-DGURAOSJSA-N 351.362 1.919 50 40 FDGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc2c1OCO2 15109268 LTQXRUKEYPHEQW-AWEZNQCLSA-N 370.317 1.088 50 40 FDGB CCn1c(O)c(C(=O)NNC(=O)c2ccccc2F)c(=O)c2ccccc21 5432364 OATZRXUBBIPMLH-UHFFFAOYSA-N 369.352 1.941 50 40 FDGB Cc1cc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)ccc1[N+](=O)[O-] 102192561 HNNQWSUPOFJWKX-NUZBWSBOSA-N 361.354 1.411 50 40 FDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 101306730 GNDLTVANPJKTOS-NZQCTYEBSA-N 358.872 1.522 50 40 FDGB COc1c([N+](=O)[O-])cc(C(=O)NNC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 2056250 QEXQGLXTGKKUNG-UHFFFAOYSA-N 374.309 1.895 50 40 FDGB O=C(Nc1ccn(CCI)c(=O)n1)c1ccccc1 1625224 MQQBFARDAOVEBU-UHFFFAOYSA-N 369.162 1.931 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1O 409248392 GCBDNTICMBOKGQ-YTTILGKYSA-N 369.805 1.190 50 40 FDGB N#Cc1ccc(N2CCC(C(=O)NNC(=O)c3cccnc3)CC2)nc1 40032239 YYWXXUBLRZJSEF-UHFFFAOYSA-N 350.382 1.026 50 40 FDGB COc1ccc(/C=N/NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(OC)c1 2743212 WFLYRTCMBPRTPW-CAOOACKPSA-N 361.358 1.576 50 40 FDGB C[C@@]1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)Cc2ccccc2C(=O)O1 40161979 LHJOUBVIDWOPRU-IBGZPJMESA-N 368.345 1.348 50 40 FDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)COc1ccc(C#N)cc1 7652833 ZRVSUMKOOKWVKH-LBPRGKRZSA-N 357.341 1.691 50 40 FDGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCC)c2ccccc21 5025057 MAUFGKJKYREPTI-HXUWFJFHSA-N 363.373 1.465 50 40 FDGB COc1ccc2oc(C(=O)NNC(=O)Cn3ccccc3=O)c(C)c2c1 7950572 XPGMFHJWKHKEAU-UHFFFAOYSA-N 355.350 1.373 50 40 FDGB COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1OC(F)F 95467130 DGEDWMBJDMLWKH-MRVPVSSYSA-N 365.308 1.631 50 40 FDGB N#CC(=C=N)[C@H](c1cccnc1)[C@H](C(N)=O)[n+]1ccc(-c2ccncc2)cc1 33864288 AMKDVFMFMGDZAJ-VQTJNVASSA-O 369.408 1.940 50 40 FDGB CC(=O)Nc1cccc(C(=O)OCC(=O)NNC(=O)c2cccs2)c1 10584910 HSFYUHPECGMIOQ-UHFFFAOYSA-N 361.379 1.325 50 40 FDGB CN(C)c1cccc(C(=O)N/N=C/c2cn(CC(N)=O)c3ccccc23)c1 107591006 KIMJPVVWQGCKEM-SSDVNMTOSA-N 363.421 1.957 50 40 FDGB C[C@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)n1nnc2ccccc21 36042377 SKAARJGMQKABFC-IYPWXLATSA-N 354.326 1.756 50 40 FDGB COC(=O)c1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 12927545 OCHFLINZRHSZHC-OAHLLOKOSA-N 356.334 1.074 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1cccc(F)c1 409123768 DSAGNHUCILEKPX-VXLYETTFSA-N 367.377 1.881 50 40 FDGB COc1ccccc1N(CC(=O)NN=C1CCCCC1)S(C)(=O)=O 408906568 HOVODAWOCJUVPY-UHFFFAOYSA-N 353.444 1.898 50 40 FDGB COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2ccccc2OC)c1 4838899 YRSTZJYGKMXDKC-UHFFFAOYSA-N 373.365 1.112 50 40 FDGB COc1cccc(C(=O)N/N=c2/oc3c(OC)cccc3cc2C(N)=O)c1 58196809 TXMXSHKGNMPYRF-ZBJSNUHESA-N 367.361 1.795 50 40 FDGB COc1ccc(OC)c(NC(=O)N[C@H](Cc2ccccc2)C(=O)NN)c1 2256750 IQQQJHYVISARER-OAHLLOKOSA-N 358.398 1.427 50 40 FDGB Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 5513062 ZQMVNBCTCJRCCW-KRWDZBQOSA-N 356.378 1.670 50 40 FDGB CCn1c(NNC(=O)CCc2c(C)nn(C)c2C)nc2ccccc2c1=O 11165476 MQCZOPLAHXERMI-UHFFFAOYSA-N 368.441 1.843 50 40 FDGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100167102 JNWDNRBBPAVRMA-LALPHHSUSA-N 371.466 1.080 50 40 FDGB CNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408834457 UZXZIICWLPAEKX-XFXZXTDPSA-N 352.350 1.187 50 40 FDGB C/C(CC(=O)Nc1cccnc1)=N\NC(=O)c1cc(N)cc([N+](=O)[O-])c1 6645908 ASPUMKOONNBAHG-KEBDBYFISA-N 356.342 1.707 50 40 FDGB COc1cccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c1OC 408753894 RLULOJSEMABPTL-BKUYFWCQSA-N 355.394 1.860 50 40 FDGB CC1(C)NC(=O)N(CCCC(=O)NNC(=O)c2ccc3c(c2)CCC3)C1=O 9314640 LYMIFUWIUZGVEN-UHFFFAOYSA-N 372.425 1.047 50 40 FDGB Cn1cccc1CC(=O)NNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 9578153 PXVKBQCWCHFMGK-UHFFFAOYSA-N 372.469 1.048 50 40 FDGB CC(C)C(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408774331 VABAYOBJISGELG-RGVLZGJSSA-N 356.382 1.641 50 40 FDGB COc1ccc(/C=N\OCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 38167827 YIVLGSJJGSAMOJ-GRSHGNNSSA-N 352.350 1.518 50 40 FDGB O=C(CNS(=O)(=O)c1ccc(F)cc1)NNc1ccc(F)cc1F 1631049554 DWTKSHKADDRRLK-UHFFFAOYSA-N 359.329 1.526 50 40 FDGB COc1cccc(NC(=O)NNC(=O)CN2C(=O)COc3ccccc32)c1 11561643 XDMWUWRHAIYIEZ-UHFFFAOYSA-N 370.365 1.274 50 40 FDGB CNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 8315994 WPQXTLXWMHXJSF-UHFFFAOYSA-N 367.814 1.323 50 40 FDGB Cc1cc(C)cc(O[C@@H](C)C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 1404900 SZFGYOAJMHZPPQ-KBPBESRZSA-N 368.455 1.043 50 40 FDGB C/C(=N\NC(=O)C[C@@H]1NC(Cc2ccccc2)=NNC1=O)c1ccccc1 4752195 IXASHMYQZGCHIA-NIZGNDASSA-N 363.421 1.561 50 40 FDGB C[C@H](C(=O)N/N=C1\C(=O)Nc2ccccc21)n1cnc2ccccc2c1=O 95661423 BZNDSJVSZPLSBK-LLVKDONJSA-N 361.361 1.430 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1O 36288242 XJPXBZZFHKYYHC-REZTVBANSA-N 359.294 1.802 50 40 FDGB O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1[N+](=O)[O-] 252430957 VTFGKSLITYZLBR-UHFFFAOYSA-N 358.266 1.996 50 40 FDGB CCc1ccc(C(=O)NNC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 12986586 KGSFOFLNKQHDRA-UHFFFAOYSA-N 365.389 1.977 50 40 FDGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 4624737 JNWDNRBBPAVRMA-ZOWXZIJZSA-N 371.466 1.080 50 40 FDGB COc1ccc(C(=O)N/N=C2/C(=O)N(CN(C)C)c3ccccc32)cc1 100339013 FQQCDTZGDRJRER-LVZFUZTISA-N 352.394 1.695 50 40 FDGB Cc1ccc(C)c(OCCC(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 32772451 QUNHGNYYYYONSG-AWEZNQCLSA-N 368.455 1.045 50 40 FDGB Cc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)[nH]1 7604917 QQQDVBRCVNLWON-UHFFFAOYSA-N 355.807 1.085 50 40 FDGB CCN1C(=O)CS/C1=N/NC(=O)[C@](O)(c1ccccc1)[C@H]1C=CC=CC1 102946516 AFIORSMYUUEYRN-UGRWSZFCSA-N 371.462 1.989 50 40 FDGB CC1=C2c3ccccc3N(C(=O)/C=C/C(=O)O)[C@@H]2[C@H]2C(=O)OC(=O)[C@@H]2C1 104306445 FJSQBCXGDFKBPB-YZJRQCEHSA-N 353.330 1.536 50 40 FDGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(O)c([N+](=O)[O-])c1 59513175 ZABOQQDRSTWCHW-LZYBPNLTSA-N 360.282 1.981 50 40 FDGB COc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)cc1 20210226 ROCRFOMTKBROGE-WOJGMQOQSA-N 362.411 1.007 50 40 FDGB CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 58202228 AWYRQXMVXRQEAQ-SECBINFHSA-N 370.203 1.579 50 40 FDGB Cc1ccn2cc(C(=O)NNC(=O)CN3CCCc4ccccc43)nc2c1 15708453 DCKMDDPYHNKDGF-UHFFFAOYSA-N 363.421 1.857 50 40 FDGB CCOc1cc(C(=O)N/N=C\c2cccc(OCC(N)=O)c2)ccc1OC 409325447 YNLCQEFGNIUNQJ-NHDPSOOVSA-N 371.393 1.722 50 40 FDGB CCCCC(=O)NN/C(C)=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 5429160 ROQIQMCPYSXMRQ-NTCAYCPXSA-N 358.398 1.663 50 40 FDGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)c1 20060234 MWYXCYHVVMLZIJ-WOJGMQOQSA-N 361.423 1.617 50 40 FDGB Cc1cccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccccc2)c1 2132230 VGPRTZWCHUCPPZ-UHFFFAOYSA-N 355.394 1.940 50 40 FDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(O)c([N+](=O)[O-])c1 73414551 GHAHCDDAOKDSDD-PXNMLYILSA-N 360.282 1.738 50 40 FDGB CC(C)c1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 575421907 SUJNYVFEORXFOC-CHWSQXEVSA-N 351.877 1.493 50 40 FDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1 5774754 JJFFBAMQYMYXDM-LICLKQGHSA-N 351.815 1.769 50 40 FDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccco2)cc1C 16282988 CDMMOBDXIFHFLI-YVLHZVERSA-N 365.411 1.367 50 40 FDGB CCCCCOC[C@H]1C[C@@](C/C(C)=N/NC(N)=O)(C(=O)OCC)[C@H](O)O1 4507273 TYAAAKIWNBMSMN-UZHIQEOZSA-N 373.450 1.284 50 40 FDGB CC(C)C(=O)NNC(=O)CSc1nnnn1-c1ccc2c(c1)CCC2 4968151 DNAGRTOOJZVPNF-UHFFFAOYSA-N 360.443 1.047 50 40 FDGB COc1cccc(/C=N/NC(=O)c2nn(C)cc2Br)c1O 1086735 UJJBOLQJWZAMIP-GIDUJCDVSA-N 353.176 1.661 50 40 FDGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1O)c1ccc2c(c1)OCCO2 79064753 WEWMFEHQONUJRF-UHFFFAOYSA-N 359.294 1.146 50 40 FDGB C/C(=N\NC(=O)CNC(=O)[C@H]1COc2ccccc2O1)c1cccs1 33788835 MNQNQZTWTZYGAV-HIPSJFSSSA-N 359.407 1.545 50 40 FDGB N#C/C(=C/c1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 3305304 YVZNYFQXMKSIOK-VBKFSLOCSA-N 355.419 1.600 50 40 FDGB Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc[nH]c1=O 12941067 NNKLVMFWLRBHBD-LLVKDONJSA-N 363.801 1.874 50 40 FDGB N#C/C(=C\c1cn(CC(N)=O)c2ccccc12)C(=O)NC[C@H]1CCCO1 409194266 JBZJSOKRXLZQMC-XETPBLJFSA-N 352.394 1.329 50 40 FDGB CN(C)N(C(=O)COc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 5298377 MCWAYFYTOCVWRV-INIZCTEOSA-N 362.451 1.711 50 40 FDGB COCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 4454202 QJPFDEGYVBAELM-MRXNPFEDSA-N 356.382 1.970 50 40 FDGB O=C(O)COc1ccc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc1 408869340 BYZKMBUJXPMHQX-ZBKNUEDVSA-N 371.349 1.441 50 40 FDGB CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2ccccc2OCC)C1=O 4857432 ZSTVKOMTDOKFTJ-VAWYXSNFSA-N 374.397 1.363 50 40 FDGB CCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(F)cc2)c1 12521353 SLQOYHIMKVNIHX-UHFFFAOYSA-N 365.386 1.662 50 40 FDGB N#C/C(=C\c1ccc(Br)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 4821728 NMEFTKNJZLTTOR-HJTPGIPUSA-N 369.240 1.659 50 40 FDGB Cc1nnsc1C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 28284201 DCGDSNWBIHGYIQ-VCHYOVAHSA-N 373.438 1.612 50 40 FDGB COc1ccccc1N1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O 7882385 IBGUOTASKGJDRO-CQSZACIVSA-N 353.378 1.509 50 40 FDGB COc1cccc(OC)c1C(=O)NC(=S)NNC(=O)c1ccncc1 8168515 YENZKZMWFQLRFU-UHFFFAOYSA-N 360.395 1.048 50 40 FDGB Cn1cc(Br)cc1C(=O)NNC(=O)c1n[nH]c2ccccc12 12393681 OMGLIOPYIPRMPF-UHFFFAOYSA-N 362.187 1.739 50 40 FDGB COc1cccc([C@@H]2[C@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 19851771 ZIUNGNSFWYVVBV-DOTOQJQBSA-N 361.405 1.717 50 40 FDGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)n1 15145360 WJDSVIHJGXZVRN-UFWORHAWSA-N 373.438 1.200 50 40 FDGB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NNC(=O)c1ccc(O)cc1O 101004774 TXXXOLUYVYWIMR-YBEGLDIGSA-N 366.377 1.947 50 40 FDGB Cc1ccc(C(=O)NNC(=O)CSc2nnnn2-c2ccccc2)cc1 4833042 RZPAKRPXPBIWJO-UHFFFAOYSA-N 368.422 1.524 50 40 FDGB Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1 6825789 ZGVGHJUYTKSFHT-WDTWZTHCSA-N 374.437 1.965 50 40 FDGB O=C(COc1ccccc1[N+](=O)[O-])NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 103248846 TZZPSRPNXCTHOY-SRVKXCTJSA-N 364.427 1.658 50 40 FDGB CCCCNC(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl 3147713 CVCAFOZHTAIQJA-UHFFFAOYSA-N 361.229 1.854 50 40 FDGB CC(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(Br)cc21 223762804 MPDFTRXCVGUOML-VBKFSLOCSA-N 354.229 1.751 50 40 FDGB COc1ccc(OC)c(NS(=O)(=O)c2cccc(C(=O)NN)c2)c1 225501179 FADXNFJUXUTCNU-UHFFFAOYSA-N 351.384 1.108 50 40 FDGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1C 225586108 ILDDOMJAFVZHTL-WDTWZTHCSA-N 372.421 1.741 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1cc2ccccc2cc1O 50170659 UURHODUYYAXXFO-OAHLLOKOSA-N 367.405 1.565 50 40 FDGB CC1(CC(=O)N/N=C/c2cccc(I)c2)OCCO1 713154 GXNIWNIJNUWGBK-OQLLNIDSSA-N 374.178 1.894 50 40 FDGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 26687128 YDQJIGDLGINZFE-UVQBRAAOSA-N 361.467 1.743 50 40 FDGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(O)cc3)CC2)cc1 19367301 FLSXZTWPYJQWSU-HYARGMPZSA-N 366.465 1.969 50 40 FDGB COc1c([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc2c(c1OC)OCO2 15109933 PUJFHHDODLKNTJ-LBPRGKRZSA-N 356.338 1.682 50 40 FDGB COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1 4838897 IQWMKXIYYWAHAT-UHFFFAOYSA-N 373.365 1.112 50 40 FDGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 409147403 XNEIQZJDHDCNQY-CNHKJKLMSA-N 358.310 1.591 50 40 FDGB COc1ccc(N2C(=O)C[C@H](NNC(=O)Cc3ccccc3)C2=O)cc1 3375107 NCQHFQXPPYNKLN-INIZCTEOSA-N 353.378 1.191 50 40 FDGB COc1cccc(NC(=S)NNC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 8666571 RIFDCWYHMSGGOC-UHFFFAOYSA-N 364.387 1.277 50 40 FDGB Cc1ccc(S(=O)(=O)CC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 13401278 KBOSNUBBYSPDAU-UHFFFAOYSA-N 357.391 1.241 50 40 FDGB COc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN)cc1 5267515 YMMBTJFTVVKDIE-KRWDZBQOSA-N 352.394 1.508 50 40 FDGB Cc1n[nH]c(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1Br 44705738 DLCRCKDQCRKZQS-LHHJGKSTSA-N 368.147 1.858 50 40 FDGB COC(=O)NCC(=O)OCC(=O)NN=C(c1ccccc1)c1ccccc1 62407711 LEZIJJVTORCWGD-UHFFFAOYSA-N 369.377 1.454 50 40 FDGB COCc1n[nH]c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 4494679 XKPQOIWJGOXMPZ-OAHLLOKOSA-N 372.381 1.800 50 40 FDGB CCOC(=O)NNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 23241884 MRVUPQSNDWVBHE-UHFFFAOYSA-N 355.341 1.594 50 40 FDGB CCCNC(=O)[C@@H](C)NC(=O)C(=O)NNc1ccc(Cl)cc1Cl 57986028 AUNRUYIVXYYZTJ-MRVPVSSYSA-N 361.229 1.467 50 40 FDGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)O)cc1)c1ccccc1 59960631 SZQKOFPWOIZCCI-VCEKOBTFSA-N 369.421 1.774 50 40 FDGB CN1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)CC1 13133016 MYLKLBIVJDZYHM-KNXALSJPSA-N 357.292 1.919 50 40 FDGB Cc1c(C(=O)N/N=C\c2cccc(O)c2)nn(-c2ccccc2)c(=O)c1C#N 409056781 IGSXQFKZPKHRFW-UUYOSTAYSA-N 373.372 1.882 50 40 FDGB O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 28424570 BAJXVDDTESYPKL-AWEZNQCLSA-N 373.384 1.661 50 40 FDGB COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCC(=O)O)c2)c1 33795118 WXGQLZFRPFNCCI-VXLYETTFSA-N 358.350 1.931 50 40 FDGB NC(=O)N/N=C1/[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@@](F)([C@H]5I)[C@H]24 261361226 MBGUCZDUDAPKPA-QPGUAVAVSA-N 361.158 1.294 50 40 FDGB COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccc(O)c(O)c2)cc1 105644338 ROQIBUKGWZVTRG-CIAFOILYSA-N 371.393 1.919 50 40 FDGB COc1ccc(-c2nn(CCC(=O)O)cc2/C=C(/C#N)C(N)=O)cc1OC 12377791 ILHUOGVTDWLNJT-GHXNOFRVSA-N 370.365 1.434 50 40 FDGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2snnc2CC)cc1 45823928 BWMGKLQHNLXGTM-JTQLQIEISA-N 364.427 1.728 50 40 FDGB Cc1cc(C)c[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2cccnc2)c1 6167601 BSXHMEDNIOVSBH-UHFFFAOYSA-O 354.415 1.489 50 40 FDGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](C)O)cc2)cc1 58882241 ITZGMSYXOLGADS-XLTHYULKSA-N 355.394 1.843 50 40 FDGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 36020378 DBSYFRJZELJZQJ-UFWORHAWSA-N 360.301 1.320 50 40 FDGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)C(=O)Nc1cccc(C)c1 4090623 QRQSPILCQPGILA-LPYMAVHISA-N 353.382 1.849 50 40 FDGB O=C(CCn1c(=O)oc2ccccc21)NNC(=O)c1cc2c(s1)CCC2 14253018 GZUVCTYMAVGPHB-UHFFFAOYSA-N 371.418 1.996 50 40 FDGB COc1ccccc1CC(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4957252 LRUIUNDJTKSFDV-UHFFFAOYSA-N 365.367 1.156 50 40 FDGB O=C(COc1ccc(F)cc1)NNC(=O)c1cc2ccccc2oc1=O 649807 KCBCAMQRAVGAJE-UHFFFAOYSA-N 356.309 1.772 50 40 FDGB CN(C)C(=O)/C(C#N)=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 408844233 CQKJNFLNWDHRFV-RVDMUPIBSA-N 366.421 1.495 50 40 FDGB O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NNC(=O)c1ccccc1 5958436 YBBROXMFBQYVDB-UHFFFAOYSA-N 357.322 1.142 50 40 FDGB O=C(NNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1 13007921 STXBGMKUNATKKF-UHFFFAOYSA-N 352.310 1.250 50 40 FDGB CN(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 6544434 UHVIUTDZZGAWRC-VXLYETTFSA-N 367.377 1.736 50 40 FDGB CCOC(=O)C1=C(NC(C)(C)C)OC/C1=N/NC(=O)Cc1ccccc1 100296462 NMNOLMVTRYIUAO-STZFKDTASA-N 359.426 1.894 50 40 FDGB N#C/C(C(=O)CN1CCC(C(N)=O)CC1)=C1\NC(c2ccccc2)=CS1 15905854 MFUBSNHYXIECCR-CYVLTUHYSA-N 368.462 1.823 50 40 FDGB Cc1ccn2c(C(=O)N/N=C/c3ccc(OCC(N)=O)cc3)c(C)nc2c1 58872746 PWPVVGUXFYKJHO-UFFVCSGVSA-N 365.393 1.579 50 40 FDGB COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1cccnc1 106636922 IHXHFAXVOSKQCH-WSDLNYQXSA-N 369.381 1.550 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 2060542 YSCSEJSXQWRLCI-UHFFFAOYSA-N 366.311 1.126 50 40 FDGB O=C(COc1ccccc1Cc1ccccc1)NNC(=O)C1=COCCO1 14183945 NIJAKQIJOSSDLF-UHFFFAOYSA-N 368.389 1.692 50 40 FDGB O=C(CCC(=O)NNC(=O)Cn1ccc2ccccc21)NCc1ccco1 4676360 LTUAZTHJPYLULY-UHFFFAOYSA-N 368.393 1.478 50 40 FDGB COc1ccc(C(=O)NNC(=O)CCSc2ncccn2)cc1OC 40150349 KYOUPBYGRLEUTJ-UHFFFAOYSA-N 362.411 1.437 50 40 FDGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(-n2cnnn2)cc1 5494671 ALYPLVXRFHJJTO-YBFXNURJSA-N 350.338 1.545 50 40 FDGB COc1cc(/C=N\NC(=O)c2cnccn2)cc(Br)c1O 32576836 NXWBBRUXQXKEAH-FMQZQXMHSA-N 351.160 1.717 50 40 FDGB CC(C)NC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 3089191 ZUKJISHYDIWTBF-PJQLUOCWSA-N 356.176 1.153 50 40 FDGB COc1ccc(N([C@H](C)C(=O)NN=C2CCCC2)S(C)(=O)=O)cc1 1446278 YPLDTZNDJJNWIE-GFCCVEGCSA-N 353.444 1.896 50 40 FDGB CCOC(=O)COc1ccc(/C=C(/C#N)c2n[nH]c(N)c2C#N)cc1OC 4067326 PRBGEHXPUSWHBR-SDQBBNPISA-N 367.365 1.878 50 40 FDGB CC(C)NC(=O)CC(=O)N/N=C/c1cc2c(cc1Br)OCO2 4361320 PXYSYGCODMJMCL-OMCISZLKSA-N 370.203 1.543 50 40 FDGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 27519983 OCWJXDJPXGTBHG-UHFFFAOYSA-N 369.293 1.518 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1cccc(F)c1 409113384 HRTHAJDOAWNPHJ-VCHYOVAHSA-N 350.375 1.137 50 40 FDGB COc1ccccc1N1C(=O)C[C@H](NNC(=O)c2ccc(C)cc2)C1=O 2347562 FFGHFJANPBPAMK-AWEZNQCLSA-N 353.378 1.570 50 40 FDGB C[C@@H](NC(=O)C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1 5357892 PIJRMMKIZJPCGS-IPHDDYSGSA-N 356.338 1.628 50 40 FDGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 59488443 UNZJTXVNHRXPKI-RQZCQDPDSA-N 358.310 1.398 50 40 FDGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)CCCc1c[nH]c2ccccc12 8893777 TWPUTVHLEALWIQ-WOJGMQOQSA-N 370.373 1.578 50 40 FDGB O=C(Cc1cn2ccsc2n1)NNS(=O)(=O)c1ccc(F)cc1F 7409559 AOCXCULZRNBRFN-UHFFFAOYSA-N 372.378 1.226 50 40 FDGB COc1cc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccccc2O)ccc1O 1633528 DNIZVVGRQYNGJF-HUUCEWRRSA-N 362.769 1.942 50 40 FDGB Cc1ccc(NCC(=O)NNC(=S)NC[C@H]2CCCO2)cc1Cl 4169158 SWUZIZLDQRFXTJ-GFCCVEGCSA-N 356.879 1.735 50 40 FDGB O=C(Cn1nc2ccccc2n1)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 61869328 NPBBUFXMZNTQLF-REZTVBANSA-N 374.744 1.849 50 40 FDGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccccc2)cc1OC 59515321 MHJZMXAEKVAVNO-HYARGMPZSA-N 369.421 1.903 50 40 FDGB C=CCN1C(=O)/C(=C(\CC)NNC(=O)CCCCCC)C(=O)N=C1O 9012503 BXUHLYVAGIEQHC-WYMLVPIESA-N 350.419 1.711 50 40 FDGB O=C(CCl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 4819569 AQKXWLIINCWMEQ-UHFFFAOYSA-N 368.821 1.319 50 40 FDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 6984317 GCXBAXIJNHMBIN-SECBINFHSA-N 374.294 1.656 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cncn1-c1ccccc1 7131598 BHQYECLLIMPDRL-UHFFFAOYSA-N 360.370 1.635 50 40 FDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(C)c3)CC2=O)cc1 68933363 XXQSQEUCLGWUKN-OAHLLOKOSA-N 367.405 1.818 50 40 FDGB COc1cc(/C=N/NC(=O)CNC2CCCCC2)c([N+](=O)[O-])cc1OC 409382456 MYRWXEUEDQIHRK-VXLYETTFSA-N 364.402 1.984 50 40 FDGB CCNC(=S)NNC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C 3446081 VEGTUXSNAGPMMM-CQSZACIVSA-N 350.488 1.655 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1O 36020385 BBIRYADOQMBFOO-GIJQJNRQSA-N 373.321 1.844 50 40 FDGB CC1(C)OC(=O)[C-]([C@@H](c2ccccc2)[C@H](C#N)C(N)=C(C#N)C#N)C(=O)O1 100927227 ARBLWTRVIFZIDF-KBPBESRZSA-N 363.353 1.581 50 40 FDGB Cn1ncc(Cl)c1C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 667694 XQJNJQNVQBFBIR-SYZQJQIISA-N 351.706 1.474 50 40 FDGB COc1cc(/C=N/NC(=O)Cc2cn3ccsc3n2)cc(OC)c1O 12564986 AYBDHRLICJXERE-CAOOACKPSA-N 360.395 1.811 50 40 FDGB O=C(N/N=C/c1ccccc1O)c1cccc(S(=O)(=O)N2CCCC2)c1 3525215 RCDKZYBJPRQRMJ-CPNJWEJPSA-N 373.434 1.941 50 40 FDGB O=C(CCC(=O)NNC(=O)c1ccccc1C(=O)O)NCc1ccccc1 4523979 PRJJRDOHAGLXPT-UHFFFAOYSA-N 369.377 1.242 50 40 FDGB Cc1cc2c(c(=O)o1)[C@]1(C(=O)Nc3ccc(Cl)cc31)C(C#N)=C(N)O2 31819082 BHBAPSGCERJRES-QGZVFWFLSA-N 355.737 1.926 50 40 FDGB COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\NC(=O)C(C)C 223736147 NEMZTOJCPBQHRC-SDXDJHTJSA-N 363.439 1.642 50 40 FDGB CCn1ncc(/C=N/NC(=O)c2c(Br)c(C)nn2C)c1F 252493106 MZIDBRXGCNHGDX-PJQLUOCWSA-N 357.187 1.610 50 40 FDGB COc1cc(/C=N/NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1O 13470725 SJMXHPPJUHWIPD-DJKKODMXSA-N 372.337 1.189 50 40 FDGB Cc1cccc(NC(=O)CN2C(=O)/C(=N/NC(N)=O)c3ccccc32)c1 4574798 GOSYIXOJSIMGJR-LTGZKZEYSA-N 351.366 1.353 50 40 FDGB N#Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 5505822 JMKFHLQSOLZJRO-UHFFFAOYSA-N 359.769 1.817 50 40 FDGB COc1cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc([N+](=O)[O-])c1O 31879742 UZMLDJHHBYATEL-VHXYRJIDSA-N 373.321 1.599 50 40 FDGB O=C(CI)Nc1ccc2[nH]c(=O)cc(C(=O)O)c2c1 1698759 PQNFZTLFTVYDMJ-UHFFFAOYSA-N 372.118 1.600 50 40 FDGB O=C(Cc1ccc(F)cc1)NNC(=O)NCCc1ccc2c(c1)OCCO2 10036983 AHKFSQFJXBHVON-UHFFFAOYSA-N 373.384 1.713 50 40 FDGB CCOc1ccc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1OC 408972923 HSSPBPLMBMWGBR-QGMBQPNBSA-N 361.358 1.657 50 40 FDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2F)c2ccccc21 6081371 RKGHXHJBVUBCOK-QJOMJCCJSA-N 368.368 1.443 50 40 FDGB COc1cccc(OCC(=O)NN[C@@H]2CC(=O)N(c3ccccc3)C2=O)c1 857201 ALFJQZYGHVIPMU-MRXNPFEDSA-N 369.377 1.027 50 40 FDGB COc1cc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc(OC)c1OC 17820203 QXSIMPAMJVQCMJ-LBPRGKRZSA-N 356.338 1.014 50 40 FDGB C[C@H]1CN(C(=O)COC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)C[C@@H](C)O1 6248273 DHAMBNWRPXYDSW-LAHQVWKISA-N 371.437 1.839 50 40 FDGB O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCCCCC1 9865976 ITHJVHMYSURIET-UHFFFAOYSA-N 367.475 1.647 50 40 FDGB CCCCC[C@@H](O)CCC(=O)NN[C@@H]1CC(=O)N(c2ccccc2)C1=O 100783607 VIMOCJICXMZOBN-HZPDHXFCSA-N 361.442 1.661 50 40 FDGB CCCC[C@@H](CCC(=O)NNC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)O 26807787 ZNQCKRJYZJVBAE-ZDUSSCGKSA-N 365.386 1.956 50 40 FDGB COc1ccccc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(C)(=O)=O 5829194 VSZUJGZXEFSQBN-SFQUDFHCSA-N 355.460 1.999 50 40 FDGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 4976881 IOJDNTUTENFEDU-XYOKQWHBSA-N 372.362 1.788 50 40 FDGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 6879424 PVQGDTLYBAWFDJ-FRKPEAEDSA-N 358.192 1.140 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1 104802111 QKYPGGJZJVDXDN-KAMYIIQDSA-N 363.801 1.719 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)c2cn(Cc3ccccc3)nn2)cc1 13019418 OLORDTSCZLLOHN-UHFFFAOYSA-N 365.393 1.475 50 40 FDGB CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 9329898 SYRWVESJFLALFT-MDZDMXLPSA-N 364.789 1.618 50 40 FDGB Cc1csc(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)n1 2619925 QSBIHYSWNHFNHH-UHFFFAOYSA-N 352.397 1.913 50 40 FDGB Cc1ccc(NC(=O)COCC(=O)NNC(=O)CCc2ccccc2)cc1 4700262 ACXCLRPUVHXRJA-UHFFFAOYSA-N 369.421 1.730 50 40 FDGB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NN)C2)cc1Cl 408621676 LWAXIHILBQXWNS-SNVBAGLBSA-N 361.851 1.129 50 40 FDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccs2)cc1 16309296 XDTBUWKCOWLJCW-YBEGLDIGSA-N 351.453 1.827 50 40 FDGB COc1ccccc1/C=N\NC(=O)/C(C#N)=N\Nc1ccccc1C(=O)O 5361797 PGBCXJCROFJRIK-CYXAKASQSA-N 365.349 1.835 50 40 FDGB NS(=O)(=O)c1ccc(NNC(=O)/C=C/c2cccs2)c([N+](=O)[O-])c1 9372941 XFSVGBUBDYGKOE-ZZXKWVIFSA-N 368.396 1.460 50 40 FDGB COC1=C[C@]2([N+](=O)[O-])CN(CCBr)C[C@]([N+](=O)[O-])(C1)C2 35132039 OHHBZSHUJCYYTJ-MNOVXSKESA-N 350.169 1.052 50 40 FDGB CSc1nc2nc(C)c(CC(=O)NNC(=O)c3ccoc3C)c(C)n2n1 15710667 WWOYBVYPGCBDSL-UHFFFAOYSA-N 374.426 1.368 50 40 FDGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 408735422 PTNSBXCHKHHHEO-YBFXNURJSA-N 357.366 1.427 50 40 FDGB O=C(CN1C(=O)COc2ccccc21)NNC(=O)Nc1ccccc1F 15935942 JQWHHCNUQLCNOB-UHFFFAOYSA-N 358.329 1.404 50 40 FDGB COc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(OC)c(OC)c2)c1 4079632 YTHKLIPMIYVSKC-SRZZPIQSSA-N 371.393 1.593 50 40 FDGB CCOC(=O)/C(=N\Nc1cc(C(=O)O)cc(C(=O)O)c1)C(=O)CCl 12377633 MDUFQCBIZBTXEW-BOPFTXTBSA-N 356.718 1.222 50 40 FDGB C[C@H](CN1CCOCC1)NC(=O)NNc1ccc(OC(F)(F)F)cc1 46479834 JMYSCBCIMOAFID-LLVKDONJSA-N 362.352 1.932 50 40 FDGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)Nc1ccc(Cl)cc12 664300 ZJORCUMTKYGHKD-KRWDZBQOSA-N 371.736 1.110 50 40 FDGB Cc1cccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c1 108075732 ZIODWVZCDGDCEK-ZHZULCJRSA-N 373.478 1.949 50 40 FDGB CC(=O)NNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 9915526 SPUDLPHBIJDDQM-UHFFFAOYSA-N 361.423 1.885 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 5511718 OVCKWTMIOHWVIP-FYJGNVAPSA-N 355.394 1.478 50 40 FDGB CC1(C)OC(=O)[C-]([C@H](c2ccccc2)[C@H](C#N)C(N)=C(C#N)C#N)C(=O)O1 100927229 ARBLWTRVIFZIDF-UONOGXRCSA-N 363.353 1.581 50 40 FDGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1O 4976882 GHISFLWEZHJNCZ-XYOKQWHBSA-N 373.390 1.594 50 40 FDGB O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NNC(=O)c1cccs1 7737380 DYOMCPKBSFECRI-UHFFFAOYSA-N 363.351 1.203 50 40 FDGB O=C(CSc1nncn1-c1ccccc1)NNC(=O)c1ccc(F)cc1 6548740 WHQQPWPFISRRIG-UHFFFAOYSA-N 371.397 1.960 50 40 FDGB Cc1csc(CC(=O)NNC(=O)CN(C)[C@H](C)c2ccc(F)cc2)n1 9478919 KCPFCEWRAVEBTG-GFCCVEGCSA-N 364.446 1.974 50 40 FDGB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)c1ccncc1 4075801 NBUOSDMPQAPRSF-PGBBXINNSA-N 370.453 1.564 50 40 FDGB O=C1NC(=O)N2C[C@H](CI)O[C@@H]2[C@H]1c1ccccc1 1563716 PCNIHRSGOXSKJD-JBLDHEPKSA-N 372.162 1.482 50 40 FDGB Cc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101305881 JGCVWWHPDPDNSI-UWLOGMJLSA-N 358.872 1.835 50 40 FDGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4657085 JFYGFUCQEDGLCQ-KGLIPLIRSA-N 361.398 1.444 50 40 FDGB CCCCC/C(CC[C@@H]1NC(=S)NC1=O)=N/NC(=O)c1ccncc1 5523657 QLRTWKYSVLIUCU-DTHVTWRFSA-N 361.471 1.901 50 40 FDGB CN1CC[C@H]2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1 4730326 NXNKRNUHHFRMIT-PGICJIBASA-N 358.405 1.228 50 40 FDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 101306727 GNDLTVANPJKTOS-AZNAFKMUSA-N 358.872 1.522 50 40 FDGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)N1CCCC1 59515668 SVAJKXVFLOGNSL-FRKPEAEDSA-N 368.187 1.250 50 40 FDGB COc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)cc(OC)c1O 946719 UHDOXSWNXFAHLS-AWQFTUOYSA-N 354.366 1.909 50 40 FDGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(N3C[C@@H](C(=O)Cl)CC3=O)cc2)C1 100680504 QGDATRIUQFFBAS-UWVGGRQHSA-N 369.204 1.923 50 40 FDGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)Nc1ccccc1F 4744632 DNMRJTBMHFKORA-UHFFFAOYSA-N 371.397 1.553 50 40 FDGB O=C(Cn1cnc2ccccc2c1=O)N/N=C/c1cccc([N+](=O)[O-])c1 706945 NOFRTQNGXVYDJU-DJKKODMXSA-N 351.322 1.455 50 40 FDGB C=C(C)C(=O)OCCOC(=O)C1=C(N)OC(C)=C(C#N)[C@@H]1c1cccnc1 5791497 FEFGNHGKSOLWEK-HNNXBMFYSA-N 369.377 1.826 50 40 FDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc2ncsc2c1 26691999 XAUQAABMVDUDSQ-CQSZACIVSA-N 355.375 1.897 50 40 FDGB COc1ccc(CNC(=O)NNc2nc(-c3ccncc3)no2)cc1OC 58244398 KOYUZHCBVFNTSB-UHFFFAOYSA-N 370.369 1.975 50 40 FDGB O=C(NNC(=O)c1ccoc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12997248 PCNZHNDPFNGQOB-UHFFFAOYSA-N 363.395 1.139 50 40 FDGB COc1cc(OC)cc(C(=O)NNC(=O)C[C@@](C)(O)C(F)(F)F)c1 7959625 RWIBRDXSNCZWIH-CYBMUJFWSA-N 350.293 1.168 50 40 FDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1 5513167 AKIGNQILGCAOMS-DJKKODMXSA-N 371.349 1.521 50 40 FDGB CCOC(=O)Cn1c(Cl)c(/C=N/NC(=O)c2ccncc2)sc1=O 4942515 WJBPKWYDISCFJU-REZTVBANSA-N 368.802 1.285 50 40 FDGB CCNC(=O)NC(=O)[C@H](NNC(=O)c1ccccc1F)c1ccccc1 8848358 OTGNJMJSHZFUHK-OAHLLOKOSA-N 358.373 1.647 50 40 FDGB C#CCOc1c(Cl)cc(/C=N/NC(=O)CN2CCOCC2)cc1OC 15018791 YJCISSFTZSNHIZ-YBFXNURJSA-N 365.817 1.143 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(F)cc1 68933376 KQVDFKCJRVFXHA-GFCCVEGCSA-N 359.332 1.779 50 40 FDGB CCS(=O)(=O)[C@@H](I)[C@@H](O)c1cccc(N)c1 96519263 YGHPCQOHYSRPQM-VHSXEESVSA-N 355.197 1.498 50 40 FDGB O=C(NCc1ccco1)N/N=C1/CCS(=O)(=O)c2ccc(F)cc21 98055380 PNEJYLRERAXIAJ-AQTBWJFISA-N 351.359 1.800 50 40 FDGB C/C=N/O[C@@H]1NC(Br)=C(C#N)[C@](C#N)(C(N)=O)C1(CC)CC 22172468 DSUVVEQNTBNDGX-CWNGUMEYSA-N 368.235 1.870 50 40 FDGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)O 3083822 BZLXGUQTVXENKJ-GIJQJNRQSA-N 373.321 1.831 50 40 FDGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1 5408397 LYNHTUSRHJUFBK-IERDGZPVSA-N 370.416 1.538 50 40 FDGB CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccccc2OC)cc1 674078 CPNBLBOOQNYXOH-UHFFFAOYSA-N 371.393 1.884 50 40 FDGB COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1C 14077055 XQIZGOONXWSLAY-UHFFFAOYSA-N 373.365 1.264 50 40 FDGB O=C(COc1ccccc1Cl)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4657101 YFTQMDKCXOPTIJ-MNOVXSKESA-N 354.790 1.757 50 40 FDGB Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccs2)c1[N+](=O)[O-] 9022328 NKCZSONXFGRGII-UHFFFAOYSA-N 363.351 1.583 50 40 FDGB COc1ccc(OCC(=O)N/N=C/c2cc3c(cc2OC)OCO3)cc1 409064656 DXOHGJNLYXSHLD-DJKKODMXSA-N 358.350 1.962 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(O)cc2)cc1C(=O)O 226858244 YTDGSBRGQBMTAQ-UHFFFAOYSA-N 350.352 1.022 50 40 FDGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 59433991 SXSOKTJATQVNTC-DJKKODMXSA-N 355.350 1.821 50 40 FDGB Cn1cc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc21 8145073 NVXSWWIIMKWCIZ-UHFFFAOYSA-N 371.418 1.657 50 40 FDGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccncc1)S(C)(=O)=O 408875686 JZLVHFORTVXVJE-YBFXNURJSA-N 360.439 1.615 50 40 FDGB COc1ccccc1Oc1c[nH]nc1-c1ccc(OCC(=O)NN)cc1O 18042595 PGZXMMZFHXQKIK-UHFFFAOYSA-N 370.365 1.952 50 40 FDGB Cc1cccc(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O 669847 VJORXYIFCBTZGM-UHFFFAOYSA-N 351.340 1.232 50 40 FDGB CNC(=O)NNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 56376057 KYXLNAYJVZPSKL-UHFFFAOYSA-N 360.439 1.826 50 40 FDGB N#CC1(C#N)[C@@H](c2ccccc2)[C@@H](Br)[C@]2(O)C[C@]1(C#N)C(=O)N2 100721804 RZIYULXBHNHLCK-CQJJVWNLSA-N 371.194 1.299 50 40 FDGB CCn1nc(C(=O)NNC(=O)c2cc(F)ccc2C)c2ccccc2c1=O 12623652 QEDSDIVFSRZLQY-UHFFFAOYSA-N 368.368 1.939 50 40 FDGB O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc[nH]c1=O 12945733 PRSDVGFWEHQUGR-UHFFFAOYSA-N 363.373 1.882 50 40 FDGB O=C(COc1ccccc1F)NNS(=O)(=O)c1ccc2c(c1)CCC2 7517621 PMZKDRBTYUCQSH-UHFFFAOYSA-N 364.398 1.703 50 40 FDGB COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O 8924673 HFGUPVHOZIGDNB-UHFFFAOYSA-N 366.717 1.020 50 40 FDGB O=C(Cn1cnc2ccccc2c1=O)N/N=C/c1cnc2ccccc2n1 2747933 AAPOQFRKHLIZOZ-LSHDLFTRSA-N 358.361 1.490 50 40 FDGB COc1ccc(OC)c([C@@H]2[C@@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 27224961 VNPKAOSWPKGKIF-SJLPKXTDSA-N 361.405 1.717 50 40 FDGB C=CCNS(=O)(=O)C[C@@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br 103178819 QJELJJBDLLJESP-LFSVMHDDSA-N 350.278 1.861 50 40 FDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](C)O)cc2)cc1 58882286 TTXMUSAHMJUBQJ-AYPRBGQRSA-N 371.393 1.544 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 52411067 GUDFRESXLWJQHP-CYBMUJFWSA-N 368.349 1.409 50 40 FDGB COC(=O)/C(C#N)=C/c1c(N2C[C@H](C)O[C@@H](C)C2)nc2ccccn2c1=O 5024237 YTNRUFWPXLBSGI-CRFVKXMPSA-N 368.393 1.388 50 40 FDGB O=C(COC(=O)c1cccc(Br)c1)NNC(=O)c1ccco1 6377425 HVAAHAIISZRFIW-UHFFFAOYSA-N 367.155 1.660 50 40 FDGB Cc1ccccc1C(=O)NNC(=O)Cn1cc(C(F)(F)F)ccc1=O 14244857 FGTPZLVSVPRIDC-UHFFFAOYSA-N 353.300 1.637 50 40 FDGB Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NNC(=O)c2cccn2C)c1 95985515 OEFBNGXXIHUAPA-UHFFFAOYSA-N 372.790 1.518 50 40 FDGB CCOc1cccc(/C=N\NC(=O)C(=O)Nc2cccc(OC)c2)c1O 223155045 RIBWKOVRBXTUGZ-ODLFYWEKSA-N 357.366 1.888 50 40 FDGB Cc1c(Cl)cc(S(=O)(=O)NNC(=O)c2ccco2)cc1[N+](=O)[O-] 9366416 WQXQPQIGWJQNJN-UHFFFAOYSA-N 359.747 1.773 50 40 FDGB CS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1 24453644 BEDWLQYRKIQDLY-UHFFFAOYSA-N 371.418 1.575 50 40 FDGB CC(C)CC(=O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 22415369 PQJJWBWBQNVMCH-CQSZACIVSA-N 371.434 1.172 50 40 FDGB CCOc1ccccc1OCC(=O)NNCC(=O)N1CCc2ccccc21 6540211 UVGZDQDJHVLQFW-UHFFFAOYSA-N 369.421 1.674 50 40 FDGB CN(C)N(C(=O)/C=C/c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 32743385 GWCYFKKSHGKTKX-OQHXTRMZSA-N 374.409 1.794 50 40 FDGB COc1ccc(CN2C(=O)/C(=N\NC(N)=O)c3ccccc32)cc1OC 46085100 NAYSPFFBZRBFFD-SILNSSARSA-N 354.366 1.623 50 40 FDGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(N)=O 7065643 FFYVJWXPKDCVPS-CXUHLZMHSA-N 365.389 1.783 50 40 FDGB CCCCNC(=O)/C(C#N)=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1 20572344 ZETABOATWVBVSO-VKAVYKQESA-N 370.453 1.857 50 40 FDGB CC(C)C(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 6552012 QOWGQBCASYETTD-UHFFFAOYSA-N 361.423 1.904 50 40 FDGB N#CC1(C#N)[C@H](c2ccccc2)[C@H](Br)[C@]2(O)C[C@]1(C#N)C(=O)N2 100721799 RZIYULXBHNHLCK-TWJWRFFLSA-N 371.194 1.299 50 40 FDGB CC(=O)Nc1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 17073437 IDFKTYUUKMZRLZ-DJKKODMXSA-N 355.350 1.903 50 40 FDGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cccc(OCC(=O)O)c2)c1 6022576 ODAHIVMGJUTGJO-VXLYETTFSA-N 355.350 1.872 50 40 FDGB COc1ccc(C(=O)NN[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 5375420 RDZWBLWLUREQTC-KRWDZBQOSA-N 358.350 1.816 50 40 FDGB CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102372353 YGMNLFCZNWOCCU-UGQVUOCMSA-N 358.394 1.758 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2C(=O)O)cc1 59444309 IFNSAOFQGZKYMN-RGVLZGJSSA-N 355.350 1.160 50 40 FDGB Cc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 101305885 JGCVWWHPDPDNSI-AZNAFKMUSA-N 358.872 1.835 50 40 FDGB Cn1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 12537090 QXVPUEMONKZVCI-KRWDZBQOSA-N 351.362 1.779 50 40 FDGB Cc1cccc(OCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1 3458366 QEEXELHLECHNFJ-UHFFFAOYSA-N 352.350 1.072 50 40 FDGB OCCOCCOCCOCCOCCOCCCCCCCl 1592055889 NZESKSCZZKNTEQ-UHFFFAOYSA-N 356.887 1.861 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1O 58885058 JYVAUDKNSUGZCG-VCHYOVAHSA-N 372.337 1.788 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1ccccc1F 20211632 YWAJRIUXCXXNTF-VCHYOVAHSA-N 350.375 1.137 50 40 FDGB COCCNC(=O)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 64341703 RHZFJSQLSDRFLP-HEHNFIMWSA-N 352.394 1.883 50 40 FDGB COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(C(N)=O)cc2)cc1 5634359 ZZAXGLOEPCCZMN-JJFYIABZSA-N 363.377 1.948 50 40 FDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCC(C)C)cc1 15901983 WEMCGBACHRTVPD-UHFFFAOYSA-N 355.460 1.199 50 40 FDGB O=S1(=O)C[C@H](Br)[C@@](Br)(CBr)C1 5003857 VYFRZWPGXYCMAH-CRCLSJGQSA-N 370.888 1.707 50 40 FDGB CO[C@@H](CCN1C(=O)c2ccccc2C1=O)[C@@H](Br)CC(=O)O 1707410 BLORCHRNDPWCOI-RYUDHWBXSA-N 370.199 1.926 50 40 FDGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21 989378 ULRJXEJPFISKQQ-LJQANCHMSA-N 351.362 1.628 50 40 FDGB COc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)c(OC)c1OC 12792909 YGRMNIFRFDKONS-UHFFFAOYSA-N 374.393 1.861 50 40 FDGB O=C(Cc1c[nH]c2ccccc12)NNS(=O)(=O)c1ccc(F)c(F)c1 7383955 QAPZBFVUNNXQTH-UHFFFAOYSA-N 365.361 1.998 50 40 FDGB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccccc1O 7986464 QSGKLWFWDFGTIV-UHFFFAOYSA-N 371.437 1.486 50 40 FDGB CC(=O)Oc1cccc2c1C(=O)[C@]1(O)C(C=O)=C[C@H]3OC(C)(C)O[C@@]2(C)[C@H]31 5028866 HEUJZCZSFLNIRC-NVRFMJDISA-N 372.373 1.661 50 40 FDGB COc1cc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)ccc1OC(C)C 5095348 NDGCCJZBHRDPJO-CQSZACIVSA-N 354.366 1.784 50 40 FDGB O=C(CCl)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 5370531 APNYGQPYBQEIOS-ARXFZMKXSA-N 362.835 1.666 50 40 FDGB CC(=O)Oc1ccccc1/C=N\NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1 18192977 IKKLLWFEQUESFE-UCMRUTMUSA-N 365.389 1.592 50 40 FDGB Cc1nc(CC(=O)NNS(=O)(=O)c2ccc(F)c(Cl)c2)cs1 3310957 AFICDLLOEKEYGW-UHFFFAOYSA-N 363.823 1.796 50 40 FDGB COCc1n[nH]c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 5130050 ATWYJCVVIYNUNA-CYBMUJFWSA-N 358.354 1.497 50 40 FDGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(=O)Nc1cccc(C(=O)O)c1 35086332 ZMYIAQMBZWQREJ-ZSOIEALJSA-N 365.345 1.795 50 40 FDGB Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1 16385941 ICAKTGJGHBQGBI-UBKPWBPPSA-N 357.282 1.080 50 40 FDGB Cc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 101486572 VGVRMKXVZNDLDA-HUUCEWRRSA-N 357.410 1.321 50 40 FDGB CC(C)(C)OC(=O)NN[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 101647123 MARQXFWCPLVLGL-LLVKDONJSA-N 350.331 1.256 50 40 FDGB COc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 68933387 IZDSTGOIHSMPEO-GFCCVEGCSA-N 371.368 1.648 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H](C)Cn1nc([N+](=O)[O-])cc1C 252501693 UHYCTOVYCHBVLA-IYRRMDOYSA-N 351.342 1.067 50 40 FDGB Cc1ccccc1OCC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 1801251 PYQDCKASGWQWEQ-UHFFFAOYSA-N 359.338 1.508 50 40 FDGB C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 7735127 VDNGUVRPTJEIJE-ACCUITESSA-N 358.354 1.677 50 40 FDGB CCN1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 13582348 QJLMJJIDCFCZTG-BWGFTNSASA-N 351.362 1.713 50 40 FDGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(S(=O)(=O)O)o1 4132933 YLQAKSBFXRUJFV-CXUHLZMHSA-N 368.367 1.454 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 5065913 IAAHCVXHHQDPNA-UHFFFAOYSA-N 366.377 1.407 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1Cl)[C@@H]1COc2ccccc2O1 6945311 BJJXJDBRIIKVER-ZDUSSCGKSA-N 368.798 1.490 50 40 FDGB O=C(NNC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1 9721281 RRXROQLFBMKJGS-UHFFFAOYSA-N 373.438 1.952 50 40 FDGB COc1ccc(/C=N\NC(=O)C(=O)N/N=C/c2ccc(OC)cc2)cc1 31637049 NDZINXKJEVQGNJ-UHWBUFEVSA-N 354.366 1.304 50 40 FDGB COc1c(O)ccc(/C=N\NC(=O)c2ccc3c(c2)OCCO3)c1[N+](=O)[O-] 36093505 FGJVZAYRUFPPTA-NVMNQCDNSA-N 373.321 1.844 50 40 FDGB COC(=O)[C@@H]1CN(C(=O)CCl)CCN1C(=O)OCc1ccccc1 79419937 CIEXNFONTAOTRI-ZDUSSCGKSA-N 354.790 1.248 50 40 FDGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cn2nc3ccccc3n2)c1O 36042379 IPNRUDZKRKLQNS-CAOOACKPSA-N 370.325 1.204 50 40 FDGB CN(C)c1ccc(/C=N/CCC[Si]23OCCN(CCO2)CCO3)cc1 195752864 YMOHAHMOZSURIW-KNTRCKAVSA-N 363.534 1.880 50 40 FDGB CCCCCOC[C@H]1C[C@](C/C(C)=N/NC(N)=O)(C(=O)OCC)[C@H](O)O1 4507287 TYAAAKIWNBMSMN-OVKPKNNKSA-N 373.450 1.284 50 40 FDGB Nc1nccnc1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 10417764 DAJVTBFIIRTLDD-UHFFFAOYSA-N 353.338 1.306 50 40 FDGB COc1ccc(/C=C(/C#N)C(=O)NCCCN2CCOCC2)c(OC)c1 24303124 QYXDOTUGPWLOTI-VBKFSLOCSA-N 359.426 1.449 50 40 FDGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1 59459770 BMQHELNVBWXHDU-VCHYOVAHSA-N 372.337 1.701 50 40 FDGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(Cl)s1 25763503 DUPFCSJJYIZJRT-PJQLUOCWSA-N 366.794 1.410 50 40 FDGB COCc1n[nH]c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 5130049 ATWYJCVVIYNUNA-ZDUSSCGKSA-N 358.354 1.497 50 40 FDGB O=C(COc1ccccc1[N+](=O)[O-])NNC(=S)NCc1ccccc1 15873271 MVAJBUJJXRUEFG-UHFFFAOYSA-N 360.395 1.669 50 40 FDGB CCOC(=O)[C@@H](C(C)=O)[C@@H](c1ccccc1)[C@@H](C#N)C(N)=C(C#N)C#N 78549502 KJAJSAQBIXWDHV-IKGGRYGDSA-N 350.378 1.938 50 40 FDGB O=C(COc1ccc(-n2cnnn2)cc1)N/N=C/c1ccccc1Cl 2316818 ICCQYZZIXPGDGR-GIJQJNRQSA-N 356.773 1.845 50 40 FDGB Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccccc3)C2=O)cc1 408533504 JWRCYOHEYCPASA-PZUDMAOCSA-N 364.361 1.610 50 40 FDGB COc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 68933306 YJRQZQDCDCZIMI-CQSZACIVSA-N 367.405 1.818 50 40 FDGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1nn(CCO)c(N)c1C#N 408721639 WCYKOGXVLSIMER-XCVCLJGOSA-N 368.309 1.030 50 40 FDGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCC(N)=O 409197824 PQRGGQOLHXEMPS-URMYYVDKSA-N 366.377 1.317 50 40 FDGB COc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2)cc1C 33587918 OYSKGKHLZCBFFJ-UHFFFAOYSA-N 363.439 1.184 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)NC(=S)N(c2cccc(C)c2)C1=O 2216540 BZPGCIKOCHSFHE-RAXLEYEMSA-N 360.439 1.438 50 40 FDGB C[C@H]1Oc2ccccc2C=C1/C=C(\C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 4193251 UQGVQWDRJWTPPX-UGKPKLDESA-N 358.419 1.604 50 40 FDGB O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3009277 ZNEZKCPRHWTTIL-DJKKODMXSA-N 370.321 1.090 50 40 FDGB COc1ccc(CC(=O)N/N=C2\C(=O)N(CN(C)C)c3ccccc32)cc1 100929783 VNCHMLNZNHVQIB-QOCHGBHMSA-N 366.421 1.624 50 40 FDGB CCOC(=O)[C@H](Br)C(=O)c1c(O)c2ccccc2n(C)c1=O 6655706 XXCLJVCNLSNRMM-LLVKDONJSA-N 368.183 1.753 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 12944311 BSAPVPGLRMLUAR-UHFFFAOYSA-N 352.343 1.220 50 40 FDGB CCCCN1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2Cl)C1=O 9318980 IXXGRVHTEGDBHN-PKNBQFBNSA-N 364.789 1.337 50 40 FDGB COc1ccc(C(=O)NNC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1OC 3669662 QUXASLMZBYTPBZ-LBPRGKRZSA-N 371.393 1.342 50 40 FDGB O=C(CSc1nnc(Cc2ccccc2)[nH]1)NNC(=O)c1ccccc1 7604841 DVRVWHVFXKGTKS-UHFFFAOYSA-N 367.434 1.949 50 40 FDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC 7784917 DCSQPTSZRJITEM-PTPOTIKZSA-N 356.220 1.823 50 40 FDGB COc1cccc(N2C(=O)C[C@@H](NNC(=O)c3cccc(Cl)c3)C2=O)c1 2425382 HBKWXCBOAABLDA-OAHLLOKOSA-N 373.796 1.915 50 40 FDGB O=C(NNC(=O)c1cnc2sccn2c1=O)c1cc2c(s1)CCC2 12984666 YFQFXYYBNXFCPJ-UHFFFAOYSA-N 360.420 1.381 50 40 FDGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccnc2)c(OC)c1 4859394 KIWMZASBHVHCQG-CIAFOILYSA-N 356.382 1.369 50 40 FDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)COc1cccc(F)c1 7841865 HOOJWOVDSZBYEC-LLVKDONJSA-N 350.321 1.959 50 40 FDGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccc(O)c(O)c1 7984265 KGHHCCCARVMLCE-RCCKNPSSSA-N 368.437 1.760 50 40 FDGB CNC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C 408708932 VLAWLKXAZUQCQH-KEBDBYFISA-N 354.366 1.633 50 40 FDGB COC(=O)CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)O 5605673 IJVAOMFVYUGMSN-NSHDSACASA-N 359.425 1.920 50 40 FDGB COc1ccccc1NCC(=O)NNC(=O)COc1cccc(C)c1C 12542471 AZWFPCZFOOGSEE-UHFFFAOYSA-N 357.410 1.950 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 4702508 SBYHCPPZGQJCPJ-YBFXNURJSA-N 364.365 1.277 50 40 FDGB Cn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2cccc(OC3CSC3)c2)n1 695734 CTGQQUJQWINFFA-OMCISZLKSA-N 361.383 1.586 50 40 FDGB O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(-c2ccccc2)cc1 7818703 YSYAHONEAUWXQY-CQSZACIVSA-N 372.446 1.939 50 40 FDGB COC(=O)c1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 5408709 LLFKOXHWOGDCLT-QZTJIDSGSA-N 373.416 1.828 50 40 FDGB O=C(NNC(=O)c1ccccc1NC(=O)C(F)(F)F)c1ccncc1 28467246 IWCLREKYMZVFPM-UHFFFAOYSA-N 352.272 1.657 50 40 FDGB Cc1cc(C)n2nc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)nc2n1 1819621 PPODWGVHIZESNS-FRKPEAEDSA-N 355.314 1.119 50 40 FDGB CCn1c(NNC(=O)Cc2c(C)nn(C)c2C)nc2ccccc2c1=O 11165483 IDYGRSHHBJBMSZ-UHFFFAOYSA-N 354.414 1.453 50 40 FDGB CC(=O)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408769640 YADTYKSJGXQWNP-LZYBPNLTSA-N 355.803 1.882 50 40 FDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNC(=O)C12CC3CC(CC(C3)C1)C2 15930200 MGQLTZUESCTSRY-YBEGLDIGSA-N 368.437 1.546 50 40 FDGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccccc1OCC(N)=O 17073438 BOIBVZNJEVJJTQ-RGVLZGJSSA-N 355.350 1.433 50 40 FDGB CS(=O)(=O)[C@@H](I)C(=O)c1ccc([N+](=O)[O-])cc1 96517910 KWWODLRSOOLAFW-SECBINFHSA-N 369.136 1.583 50 40 FDGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)OC2=C1S(=O)(=O)CCC2 606422303 JALGDALGRIRHCT-QGZVFWFLSA-N 357.391 1.329 50 40 FDGB CN(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1 8042704 QMCAYYSZVJHFME-VCHYOVAHSA-N 366.830 1.506 50 40 FDGB COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 13138706 OWPNXKAFVVUSBB-LYIDWLLOSA-N 362.430 1.866 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cc2c(s1)CCCCC2 29561080 MKKZYKWLEABHCR-GFCCVEGCSA-N 361.467 1.789 50 40 FDGB Cc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 6840338 FTSSYLZUKDFDIL-XDHOZWIPSA-N 359.451 1.907 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)CCc2nc3ccccc3s2)n1 6510432 TYAZCUCZSBYUCU-UHFFFAOYSA-N 357.439 1.890 50 40 FDGB O=C(NCc1ccccc1)NC1(C(=O)NNC(=O)[C@H]2CCCO2)CCCC1 32260596 IAAOYLUFNYYIPQ-OAHLLOKOSA-N 374.441 1.125 50 40 FDGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)NC[C@H]2CCCO2)c1 101510742 JVEHJQWDVKBWEK-MQMKENTISA-N 363.414 1.495 50 40 FDGB CN1CCC(=NNC(=O)C(=O)Nc2ccccc2Br)CC1 59435843 IJGRTNDGLFDCON-UHFFFAOYSA-N 353.220 1.585 50 40 FDGB CNC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2ccccn2c1=O 2200900 NNLBSVJSSBVDTC-WYMLVPIESA-N 351.410 1.728 50 40 FDGB CCn1cc(C(=O)NNC(=O)c2cccnc2)c(=O)c2ccc(C)nc21 8324147 RRKWNGZKAPOQQN-UHFFFAOYSA-N 351.366 1.195 50 40 FDGB C/C(=N/NC(=O)CNC(=O)[C@H]1COc2ccccc2O1)c1cccs1 4898058 MNQNQZTWTZYGAV-AXLWCPOOSA-N 359.407 1.545 50 40 FDGB COc1c(C2C(C#N)=C(N)SC(N)=C2C#N)cc2c(c1OC)OCO2 35324878 SKFLQPGMCUBZLK-UHFFFAOYSA-N 358.379 1.651 50 40 FDGB Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc[nH]c1=O 12941074 NNKLVMFWLRBHBD-NSHDSACASA-N 363.801 1.874 50 40 FDGB COc1cc(/C=N\NC(=O)Cc2cccn2C)cc(OC)c1OC(C)=O 32576890 CHNCPXORWFRAAZ-ODLFYWEKSA-N 359.382 1.660 50 40 FDGB COc1ccc([C@H](O)[C@H](I)S(C)(=O)=O)cc1 96519220 BHIDQPNBIFWIHQ-VHSXEESVSA-N 356.181 1.534 50 40 FDGB COC(=O)c1cccnc1NC(=S)NNC(=O)COc1ccccc1C 2959856 NVYRLSROMMCLJP-UHFFFAOYSA-N 374.422 1.573 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)CCCn2c(=O)oc3ccccc32)n1 6427248 JFEOBUYJIVMZPZ-UHFFFAOYSA-N 371.397 1.036 50 40 FDGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccco1)c1ccc(Cl)cc1 6510805 VVUDOXCSUKRFOH-NSHDSACASA-N 350.762 1.494 50 40 FDGB CCNc1nc(NCC)nc(C(=O)N/N=C/c2ccc3c(c2)COC3)n1 28628630 HNECCGFTOGWIPA-DNTJNYDQSA-N 355.402 1.529 50 40 FDGB N#CC1=C(N)OC(c2ccccc2)=C(n2nnnc2N)[C@@H]1c1cccnc1 4455718 LCHZHHQOIKVJIF-CQSZACIVSA-N 358.365 1.484 50 40 FDGB NNC(=O)[C@H]1C[C@@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@H]1O 4580246 HMTNULDAFXPAOG-NIIBRFEOSA-N 354.454 1.464 50 40 FDGB biogenic O=C1N=C(O)N(C2CCCCC2)C(=O)/C1=C/NNC(=O)c1ccccc1 5870994 RWZKYHLVJUZAPX-SDNWHVSQSA-N 356.382 1.420 50 40 FDGB Cc1c(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)sc(N)c1C#N 16249601 NQSDFQPDDORKJC-BLLMUTORSA-N 373.350 1.911 50 40 FDGB Cc1ccccc1NC(=O)C(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 4611035 RDIZOATXBGOOMI-UHFFFAOYSA-N 367.321 1.314 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccccn1 32794993 IVLJQCAYGHNMRA-HNNXBMFYSA-N 364.405 1.384 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(OCc2noc(C)n2)cc1 104842444 UCEFWIMUADKPFK-UVTDQMKNSA-N 356.338 1.439 50 40 FDGB O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc2ccccc2n1 3360522 VANVPJCOGQEWLF-UHFFFAOYSA-N 366.333 1.983 50 40 FDGB CC(C)c1c(C(=O)N/N=C/c2cccc(F)c2)nnn1-c1nonc1N 2265095 AXYVUHYITHBWQF-CNHKJKLMSA-N 358.337 1.259 50 40 FDGB CN(CC(=O)NNC(=O)CN1CCCc2ccccc21)[C@@H]1CCSC1 89337178 MFPWXRVMYFOBGB-OAHLLOKOSA-N 362.499 1.024 50 40 FDGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2/CCCC(=O)C2)c1 101863428 PRUVSRWHZKWLKN-JXAWBTAJSA-N 365.455 1.946 50 40 FDGB COc1cccc(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)c1 20209991 IHDMQDRDYIXCSO-MHWRWJLKSA-N 367.452 1.673 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 408867257 LAJOZHYAIJADTN-YBFXNURJSA-N 371.349 1.839 50 40 FDGB O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)c1ccc[nH]1 6991328 QNIQMEFMRFJPOX-UHFFFAOYSA-N 350.378 1.288 50 40 FDGB COc1cc(Br)cc(/C=N\NC(=O)c2ccn(C)n2)c1O 17073131 DJPYUOLWUKQCTQ-CHHVJCJISA-N 353.176 1.661 50 40 FDGB CC1(C)OC(=O)C2=C1NC(N)=C(C#N)[C@@]21C(=O)Nc2c(Cl)cccc21 79496758 FTYRIBQTSGFRRX-QGZVFWFLSA-N 356.769 1.416 50 40 FDGB O=C1NC(=O)N2C[C@H](CI)O[C@@H]2[C@@H]1c1ccccc1 5395455 PCNIHRSGOXSKJD-HOSYDEDBSA-N 372.162 1.482 50 40 FDGB NC(=O)N[C@H](CC(=O)NNC(=O)c1cccs1)c1ccccc1Cl 6933135 FJIHVKKFNSSQHE-LLVKDONJSA-N 366.830 1.962 50 40 FDGB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccccn1 7475499 YHUYCBAXZVNRHF-UHFFFAOYSA-N 370.453 1.565 50 40 FDGB NNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3Cc4c([nH]c5ccccc45)C[C@@H]3C[C@@H]21 4721774 FSQRVRPQXUTOFA-BCGVMYJISA-N 354.454 1.292 50 40 FDGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cccnc2)CC1 15018788 QVWZTAOJUIDLQG-MOSHPQCFSA-N 368.397 1.506 50 40 FDGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c2ccccc21 9743118 WAZJWJCYIFEUKY-NRFANRHFSA-N 374.400 1.599 50 40 FDGB O=C(CBr)OC[C@H](CCl)OC(=O)CBr 1689286 AXHNSPQWAATFEX-YFKPBYRVSA-N 352.406 1.470 50 40 FDGB CCN(CC)C(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 3089174 MMZVIHVJAYOOAI-FRKPEAEDSA-N 370.203 1.496 50 40 FDGB C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cn(C)c2ccccc12 43935682 ZJFYSRXJSNUEBH-LLVKDONJSA-N 360.414 1.853 50 40 FDGB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CCl)c(=O)[nH]c1=O 9646799 UYMVDRNKGHMUTO-UHFFFAOYSA-N 364.833 1.691 50 40 FDGB CCOc1ccc(-n2c(SCC(=O)NN)nnc2-c2cccnc2)cc1 36724771 LAZUWDZODFDLNE-UHFFFAOYSA-N 370.438 1.810 50 40 FDGB CCCCCCN1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2O)C1=O 4812783 HBWBJIQTPRCQRH-ACCUITESSA-N 374.397 1.169 50 40 FDGB CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc3ccccc3n2)C1 30575688 JVYIVUVTRCLCBG-CQSZACIVSA-N 370.409 1.864 50 40 FDGB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NN)ccc1Cl 2648374 RDFNYXUIBIGZAZ-UHFFFAOYSA-N 355.803 1.753 50 40 FDGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(O)cc4)[C@@H]13)[C@H]2Br 102608347 YBVXLYDEKJABPR-HKLHZYFVSA-N 352.184 1.902 50 40 FDGB NNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 408560960 GDOCAKUCIDZGQR-UHFFFAOYSA-N 373.793 1.649 50 40 FDGB COc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 408614955 KCZWRWYVZYQVRS-OAHLLOKOSA-N 367.405 1.818 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1cccc(F)c1 409118222 SXJFCHNQEZSZRN-VCHYOVAHSA-N 365.386 1.448 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H](C)Cn1nc(C)c([N+](=O)[O-])c1C 252504846 VNEWBPYHRBHEFJ-INAZWQERSA-N 365.369 1.376 50 40 FDGB O=C(COc1ccc(Br)cc1)NNC(=O)c1ccncc1 5173777 BSBHZQDRJWATNJ-UHFFFAOYSA-N 350.172 1.684 50 40 FDGB COc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc(OC)c1OC 3009170 AVUWHEXENJTLBO-YBFXNURJSA-N 363.414 1.611 50 40 FDGB O=C(CI)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 2042905 WASUAIQTEYKZFA-LLVKDONJSA-N 372.162 1.715 50 40 FDGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(N)=O 408856910 MEYTZONRPDZYFL-POHAHGRESA-N 372.768 1.580 50 40 FDGB O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)c1ccc2c(c1)OCO2 7985843 VFRIUPXVOMHYSL-AWEZNQCLSA-N 354.318 1.478 50 40 FDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Oc2ccccc2)cc1 7955167 KTNYLIBPDWSJBA-AWEZNQCLSA-N 374.418 1.675 50 40 FDGB Cn1cnnc1SCC(=O)NNC(=O)c1ccc(Br)cc1 3313520 FSSUFQSYFVRVST-UHFFFAOYSA-N 370.232 1.131 50 40 FDGB Cc1cc(C)cc(OCC(=O)NNC(=O)COc2ccc(C#N)cc2)c1 3396122 NNRDPNMSTLREGT-UHFFFAOYSA-N 353.378 1.780 50 40 FDGB COC(=O)CN1C(=O)/C(=N\NC(=O)c2ccc(OC)cc2)c2ccccc21 18143794 ODKKJRLFIWYIBY-JZJYNLBNSA-N 367.361 1.349 50 40 FDGB Cn1nc(C(=O)N/N=C2\C(O)=Nc3ccc(F)cc32)c2ccccc2c1=O 8511852 ZONITMINOBJDOH-UHFFFAOYSA-N 365.324 1.808 50 40 FDGB Cc1cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c(C)o1 9314333 WQYYUAILWGYBPR-UHFFFAOYSA-N 364.427 1.573 50 40 FDGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 33771466 VTFWFOACXNJDIX-VXLYETTFSA-N 355.350 1.872 50 40 FDGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)o2)c1 33623687 VNLWKGQIOMHZII-XDHOZWIPSA-N 356.382 1.839 50 40 FDGB CN(C)c1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1 408586685 PQDUEFHTBSHHHZ-UHFFFAOYSA-N 358.467 1.827 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccn(C)n2)cc(Br)c1OC 1089020 UDIYJVILCPEIRW-LZYBPNLTSA-N 367.203 1.964 50 40 FDGB COc1ccc(CC(=O)NNC(=O)COc2cccc(F)c2)cc1OC 2662517 WKJUZNXSHAQWRH-UHFFFAOYSA-N 362.357 1.612 50 40 FDGB Cc1ccc(C(=O)NNC(=O)c2ccc(N3CCOCC3)nc2)c(C)c1 12741267 IZSLAELBMQDKHL-UHFFFAOYSA-N 354.410 1.610 50 40 FDGB COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408615578 QWASYVDHYZELSY-CYBMUJFWSA-N 371.368 1.648 50 40 FDGB CC1=C/C(=N\NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 5163433 LEDOMCOZEKSWEH-SDXDJHTJSA-N 363.439 1.533 50 40 FDGB Cc1cc(C)n2nc(SCC(=O)NNC(=O)c3ccccc3)nc2n1 3466928 QTJQVLJAIWMTQP-UHFFFAOYSA-N 356.411 1.294 50 40 FDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1 409000083 XABRMOVZPGSRIV-RGVLZGJSSA-N 374.441 1.099 50 40 FDGB CSc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)s1 14199460 SVIKUJMQLHRLPF-UHFFFAOYSA-N 358.445 1.952 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 5569072 MUQKNKFKKYTQRU-UHFFFAOYSA-N 355.759 1.872 50 40 FDGB COc1ccc2c(CC(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)coc2c1 8939283 GKGWPBGPRFQTGP-CYBMUJFWSA-N 366.439 1.476 50 40 FDGB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NN)C1 408700286 CNYOJMKQJLPTIY-ZDUSSCGKSA-N 355.460 1.209 50 40 FDGB CCN1C(=O)/C(=N\NC(=O)Cc2cn3ccsc3n2)c2ccccc21 3282089 ZZYDBSAFWNNTJY-HKWRFOASSA-N 353.407 1.825 50 40 FDGB CC(=O)Oc1cccc2c1C(=O)[C@@]1(O)C(C=O)=C[C@H]3OC(C)(C)O[C@@]2(C)[C@H]31 5028865 HEUJZCZSFLNIRC-HIBPSGHXSA-N 372.373 1.661 50 40 FDGB Cc1cc2c(c(=O)n1CCO)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 4851060 AVEFWUNWLHKXIG-INIZCTEOSA-N 367.361 1.096 50 40 FDGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)N[C@H]1CCS(=O)(=O)C1 5201027 UUTPWENVUBQQGA-UELRPHRMSA-N 363.439 1.480 50 40 FDGB O=C(NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccc(Br)o1 4651783 PDMGKIBLBKTJEC-YUMQZZPRSA-N 359.176 1.694 50 40 FDGB N#Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccccc2F)cc1 199422525 ZEWBTOSGXWZSSA-UHFFFAOYSA-N 370.340 1.114 50 40 FDGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)COc1ccccc1Cl 12362345 DMNBRYAWAZZGRE-CXUHLZMHSA-N 352.738 1.411 50 40 FDGB CCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccncc3)C2=O)cc1 100873555 DZMLMBGXYXQLJP-HNNXBMFYSA-N 354.366 1.047 50 40 FDGB O=C(NNC(=O)c1sccc1S(=O)(=O)C(F)F)c1ccccc1 108149584 QOMDEIQAWJGKGY-UHFFFAOYSA-N 360.363 1.819 50 40 FDGB O=C(NCc1ccnc(N2CCOCC2)c1)NNC(=O)c1cccs1 12984423 SDKVBBXGWNTWIT-UHFFFAOYSA-N 361.427 1.124 50 40 FDGB CCc1cc[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2ccncc2)cc1 13756006 VIRNASFSFIQNRK-UHFFFAOYSA-O 354.415 1.434 50 40 FDGB COCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 4454201 QJPFDEGYVBAELM-INIZCTEOSA-N 356.382 1.970 50 40 FDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccc(Cl)cc1 409383191 SBVUCAFZXKLGDP-YRORDHRNSA-N 350.758 1.145 50 40 FDGB COc1cccc(/C=C2\SC(=S)N(CC(=O)NNC(C)=O)C2=O)c1 5554927 UGTAQDSYBAKTPE-GHXNOFRVSA-N 365.436 1.064 50 40 FDGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cnccn2)c(OC)c1 100522952 IUSCKCOZFSJCOJ-SRZZPIQSSA-N 357.370 1.628 50 40 FDGB Cc1cccc(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)c1 649761 VSFOYBSBQQMBIK-UHFFFAOYSA-N 352.346 1.941 50 40 FDGB O=C(COC(=O)CCc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 5367745 PKFREMASGDQNSP-UHFFFAOYSA-N 371.349 1.532 50 40 FDGB C=CC(=O)Nc1ccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1 1624778073 BQPYZUGQAGLGMN-UHFFFAOYSA-N 353.382 1.488 50 40 FDGB COCCNC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 7062254 BRNGFZLVMIAURL-UHFFFAOYSA-N 352.243 1.514 50 40 FDGB COc1cc(Br)cc(/C=N/NC(=O)Cn2nccc2C)c1O 673263 SUVYGYMVOJFFRX-FRKPEAEDSA-N 367.203 1.819 50 40 FDGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 26687132 YDQJIGDLGINZFE-QZFKAFNDSA-N 361.467 1.743 50 40 FDGB Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 4738428 RSKBXSAPPRBFJK-UHFFFAOYSA-N 354.322 1.755 50 40 FDGB CCOC(=O)C[C@@H](Br)C(=O)CN1C(=O)c2ccccc2C1=O 95481724 SYYWTCVNGIOQAS-LLVKDONJSA-N 368.183 1.568 50 40 FDGB O=C(CCl)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 5370528 APNYGQPYBQEIOS-TXDDRFEGSA-N 362.835 1.666 50 40 FDGB CC[C@H](C)N1C(=O)/C(=C\NNC(=O)c2ccccc2O)C(O)=NC1=S 38166044 LCPFWZBOJFNRFD-ANHFWZFOSA-N 362.411 1.393 50 40 FDGB CN(C)c1ccc(/C=N\CCC[Si]23OCCN(CCO2)CCO3)cc1 231976638 YMOHAHMOZSURIW-MNDPQUGUSA-N 363.534 1.880 50 40 FDGB CC(C)CN1C[C@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)CC1=O 29762911 NOCJEWVAPHKYGV-CYBMUJFWSA-N 356.426 1.444 50 40 FDGB Cc1nnc(NNC(=O)COc2ccc(Nc3ccccc3)cc2)[nH]c1=O 11547728 FVLXWNLCLZFKPL-UHFFFAOYSA-N 366.381 1.739 50 40 FDGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccc(C(C)C)cc2)n1 7386832 WYZYXJGOOFRMDC-UHFFFAOYSA-N 350.444 1.633 50 40 FDGB N#CCc1c(C#N)c(N)nc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1C#N 19791843 HVHPTBVDIUTCKR-UHFFFAOYSA-N 362.309 1.138 50 40 FDGB CN1C(=O)CCc2cc(C(=O)NNc3nc4ccccc4c(=O)[nH]3)ccc21 89506233 LTXHFXNTOHJPOZ-UHFFFAOYSA-N 363.377 1.589 50 40 FDGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCC(N)=O 409230488 DTIQAYBPUPHJED-JJFYIABZSA-N 373.384 1.781 50 40 FDGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(F)c3)CC2=O)cc1 408614270 AKBLVAONHGSCGK-AWEZNQCLSA-N 355.369 1.948 50 40 FDGB Cc1nc(CSCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)no1 60855828 RQJVRZOYJANSDN-UHFFFAOYSA-N 364.471 1.975 50 40 FDGB O=C(Cc1nnc(=O)[nH]c1O)N/N=C/c1cccc(Oc2ccccc2)c1 943669 BBMLYCPOMDCXDW-YBFXNURJSA-N 365.349 1.356 50 40 FDGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc2c1OCO2 18266163 BQRJGOFZJSKFOO-CQSZACIVSA-N 353.334 1.639 50 40 FDGB biogenic Cc1cc(Br)ccc1OCC(=O)NNC(=O)C(F)(F)F 6501075 VAJNYKVYXRCCBN-UHFFFAOYSA-N 355.110 1.846 50 40 FDGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1 14824956 RMFSLJVEZZJOSM-HNNXBMFYSA-N 367.405 1.899 50 40 FDGB Nc1nonc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1 722231 JGEFOBUCIZQFSI-VXLYETTFSA-N 351.322 1.635 50 40 FDGB CC(C)[C@@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)N1CCCC1=O 58279222 CJGWLOYORZWIED-LBPRGKRZSA-N 371.235 1.185 50 40 FDGB Cc1cc(C)nc(SCC(=O)NNC(=S)NCc2ccccc2)n1 408585390 GEMKCXVKAHORIA-UHFFFAOYSA-N 361.496 1.881 50 40 FDGB CCCCNC(=O)/C(C#N)=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1 20403626 ZETABOATWVBVSO-SAPNQHFASA-N 370.453 1.857 50 40 FDGB N#Cc1cc(C(=O)O)c(=O)n2c1SC[C@@H]2CI 2368328 ASURVGPDWHJABB-LURJTMIESA-N 362.148 1.500 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)COc2ccc(OC)cc2)cc1OC 12912642 IMHCKOXQRFFAKZ-UHFFFAOYSA-N 374.393 1.943 50 40 FDGB Cc1ccccc1N1C(=O)N=C(O)/C(=C/NNC(=O)c2ccncc2)C1=O 9008367 MIPNINVDFCTHIH-RAXLEYEMSA-N 365.349 1.632 50 40 FDGB CCNC(=O)NNC(=O)COc1ccccc1I 408567873 PXBHGXYWTAFPHJ-UHFFFAOYSA-N 363.155 1.020 50 40 FDGB O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NN=C1CCCCC1 825694 DGTAEJXTRGIZBW-UHFFFAOYSA-N 354.388 1.309 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)COc2c(C)cccc2C)cc1 6860809 OCGBLZDPYQPLGN-UHFFFAOYSA-N 358.394 1.917 50 40 FDGB CCOC(=O)C1CCN(C(=O)NNC(=O)c2cccc(Cl)c2)CC1 8393159 PRGGPOJEEYBOIB-UHFFFAOYSA-N 353.806 1.970 50 40 FDGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 55563006 MXPWQMMDAIKOCA-UHFFFAOYSA-N 373.434 1.893 50 40 FDGB Cc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)c(C)c1 57049704 IPPIZWJOLFJJFC-UHFFFAOYSA-N 366.487 1.267 50 40 FDGB Cc1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 2064454 ICDBHDROFOMQCO-UHFFFAOYSA-N 358.379 1.853 50 40 FDGB Cc1csc(CC(=O)NNC(=O)CN2CC=C(c3ccccc3)CC2)n1 8377450 ZQCHZORFKNRXFI-UHFFFAOYSA-N 370.478 1.931 50 40 FDGB O=C(N/N=C/c1ccccc1O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4621969 HKIIFYVKVWEWAV-XDHOZWIPSA-N 370.365 1.901 50 40 FDGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@]12C(=O)Nc1ccccc12 4769927 KAGXDYXHRHQYMK-KRWDZBQOSA-N 359.769 1.657 50 40 FDGB CN(c1ccc(C(=O)NN=C2C(=O)Nc3ccccc32)cc1)S(C)(=O)=O 409137328 VRFNKFMKDCCPFO-UHFFFAOYSA-N 372.406 1.169 50 40 FDGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1cccnc1 33774042 MDAYYOSQAIHGBI-UYRXBGFRSA-N 360.439 1.036 50 40 FDGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccccn1)c1ccccc1Cl 7653077 FJTJITAIOTUTAR-ZDUSSCGKSA-N 361.789 1.296 50 40 FDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cc([N+](=O)[O-])ccc1O 101397655 QXBRVYNTFQEZHD-PXNMLYILSA-N 360.282 1.738 50 40 FDGB Cc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101305883 JGCVWWHPDPDNSI-DDGKQPTKSA-N 358.872 1.835 50 40 FDGB COC(=O)CSC1=C(C#N)[C@H](c2cc(OC)ccc2OC)CC(=O)N1 9110845 YOTGCPFJSTVZRF-NSHDSACASA-N 362.407 1.949 50 40 FDGB NNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl 408594574 SWURRTYDOHBCKQ-UHFFFAOYSA-N 355.803 1.510 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)Cc1ccccc1 6584703 UXYAQIRCPIJILJ-MHWRWJLKSA-N 351.453 1.660 50 40 FDGB COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC(C)(C)C 59516003 BLCNIVRZZDMZEI-LZYBPNLTSA-N 356.220 1.823 50 40 FDGB O=C(NNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Br)cc1 24120271 ULCXVOMMKGWRSF-UHFFFAOYSA-N 353.132 1.760 50 40 FDGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1cccc(Cl)c1Cl 4551067 KOMNQVQSODQZIQ-MRVPVSSYSA-N 351.149 1.588 50 40 FDGB O=C(O)CC/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1 4547268 RROHBJFQJILMGK-CJLVFECKSA-N 371.368 1.941 50 40 FDGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)n1 8336684 CYTSCJZLKHQYPV-QGMBQPNBSA-N 374.422 1.799 50 40 FDGB O=C(NCCNC(=O)C1CC1)C(=O)NNc1ccc(Cl)cc1Cl 50552308 MCGVBAGOVZQNLQ-UHFFFAOYSA-N 359.213 1.079 50 40 FDGB CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cc2ccc(OC)cc2)C1 32765701 HNWUJHLMVNMARM-CQSZACIVSA-N 363.414 1.254 50 40 FDGB COc1ccc(Cl)cc1C(=O)NC(=S)NNC(=O)c1ccncc1 6646933 UXHPUBDOAUNGTG-UHFFFAOYSA-N 364.814 1.693 50 40 FDGB COCCNC(=O)CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914829 ZSESQIHMKVTPOY-YBFXNURJSA-N 374.353 1.458 50 40 FDGB Cc1cccc(OCC(=O)NNC(=O)c2cn(Cc3ccccc3)nn2)c1 13019416 AYUDBDFMPKHRSU-UHFFFAOYSA-N 365.393 1.475 50 40 FDGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1ccncc1 408732329 UORANEOMZLXZGO-OMCISZLKSA-N 373.225 1.368 50 40 FDGB Cc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccc(F)cc2)cc1 409066100 HASJUIVGQUZASU-UHFFFAOYSA-N 351.403 1.315 50 40 FDGB N#C[C@@H](N=Nc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1cccnc1 245239998 NUIAEYWEFPXZJO-CYBMUJFWSA-N 353.298 1.427 50 40 FDGB COc1ncc(Br)cc1S(=O)(=O)NNC(=O)C(C)(C)C 585138431 PHMWHIVSDJFXRZ-UHFFFAOYSA-N 366.237 1.208 50 40 FDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CO)cc2)cc1 58882229 CERJGESGAMEXCV-VXLYETTFSA-N 357.366 1.155 50 40 FDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3CCCCCC3)nc12 2200238 COGAEJZENCYMTK-SDNWHVSQSA-N 351.410 1.776 50 40 FDGB CCCN(C(=O)CCl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3337413 AVPGUVNTCVPAPH-UHFFFAOYSA-N 350.806 1.149 50 40 FDGB O=C(COc1cccc(F)c1)NNC(=O)C[C@@H]1OC(=O)c2ccccc21 12976484 SMKAUTRQZFDRLO-HNNXBMFYSA-N 358.325 1.654 50 40 FDGB O=C(NCc1ccco1)C(=O)NNC(=O)c1ccccc1Br 12973843 VXUXKDIOJPZUCE-UHFFFAOYSA-N 366.171 1.120 50 40 FDGB O=C(NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccc(NC(=O)C2CC2)cc1 17076420 YCEDKBMRXBWBFZ-GJZGRUSLSA-N 373.409 1.687 50 40 FDGB N#CC1=C(c2ccc(Br)cc2)N[C@@H]2SCC(=O)N2C1=O 226758077 WYTTVXPFDOFRPP-ZDUSSCGKSA-N 350.197 1.673 50 40 FDGB CCOC(=O)[C@@H]1/C(=N/NC(=O)CC#N)C[C@](C)(O)C[C@H]1c1ccccc1 100249861 NJAZXKWHVGETQM-HINCZDLOSA-N 357.410 1.880 50 40 FDGB CCOC(=O)CCC(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 4614987 OXGPMPUWKUYKFU-UHFFFAOYSA-N 363.414 1.513 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)COc2ccc3ccccc3c2)n1 6943991 JHMAYFSZMYRYDV-UHFFFAOYSA-N 352.394 1.880 50 40 FDGB CCOC(=O)C(C#N)=C1S[C@@H](C(=O)OCC)[C@@H](C(=O)OCC)S1 18194637 LNYTWDXCBWITNJ-AOOOYVTPSA-N 359.425 1.628 50 40 FDGB COc1ccc(CC(=O)NN[C@H]2CC(=O)N(c3cccc(F)c3)C2=O)cc1 1441526 RQBWUWNVTCNGBL-INIZCTEOSA-N 371.368 1.330 50 40 FDGB Cn1cccc1C(=O)NNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 14111159 QMXKKEZDCHFPHU-UHFFFAOYSA-N 372.469 1.509 50 40 FDGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 1404911 VGQFDACVALUMCR-QWRGUYRKSA-N 374.846 1.080 50 40 FDGB COCc1[nH]nc2c1[C@@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2 35325897 LNPHHXIZMJRUFM-ZDUSSCGKSA-N 356.338 1.512 50 40 FDGB O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCO2 107829218 JJAFYDTVZRIIQR-CNHKJKLMSA-N 355.306 1.233 50 40 FDGB Cn1cccc1CC(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2 8940910 ZLWFASBGZQRUNA-UHFFFAOYSA-N 363.421 1.703 50 40 FDGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(N)nc(N)n2)c1C 7814515 DCXIWRKVDODMPD-NTUHNPAUSA-N 355.402 1.515 50 40 FDGB O=C(N[C@H]1CCS(=O)(=O)C1)OCC(Br)Br 59568548 JHJULAMHFNTBMM-YFKPBYRVSA-N 365.043 1.016 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1ccc(Cl)cc1 20209640 PQFJVARIQOBWFF-VCHYOVAHSA-N 366.830 1.651 50 40 FDGB COc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1 2135577 OVYLJYDIBGEEID-UHFFFAOYSA-N 357.435 1.964 50 40 FDGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2ccccc2F)c2ccccc21 5790906 SOEJXBYLOSSICT-FXBPSFAMSA-N 369.352 1.870 50 40 FDGB O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccc2ccccc2n1 7653976 VWHPZBFOKDRYHO-UHFFFAOYSA-N 373.376 1.350 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 252497762 QPFSQKSCOWXBMF-CGOBSMCZSA-N 372.326 1.722 50 40 FDGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccc(Br)c1 3080357 ZGPVJXZGONJZJE-OPFCKLNOSA-N 354.204 1.194 50 40 FDGB N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@H]1c1ccccc1 6496087 MGXLHIMPYZBBFN-AWEZNQCLSA-N 357.435 1.617 50 40 FDGB CCCc1c(C(=O)N/N=C(\C)c2ccc(O)cc2)nnn1-c1nonc1N 9235005 HQWUBMYDLWZHHA-GIJQJNRQSA-N 370.373 1.045 50 40 FDGB Cc1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2)c(C)o1 8278737 FEEUNSDZDFSQCV-UHFFFAOYSA-N 365.411 1.026 50 40 FDGB COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778244 YGKQNEHQVHKXLF-JLHYYAGUSA-N 357.391 1.888 50 40 FDGB C/C=N/O[C@@H]1NC(Br)=C(C#N)[C@@](C#N)(C(N)=O)C1(CC)CC 22172462 DSUVVEQNTBNDGX-STWCWPDJSA-N 368.235 1.870 50 40 FDGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCC)=C1C 4517026 WMFOZPIHZWYJSP-FQEVSTJZSA-N 365.389 1.876 50 40 FDGB CN1N=C(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)CCC1=O 12623465 ZNRFMXMOXAJITE-UHFFFAOYSA-N 362.455 1.776 50 40 FDGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)C2CC2)c1 26689803 ICTGBKCDLXIXRR-UHFFFAOYSA-N 367.361 1.839 50 40 FDGB COc1ccc(C(=O)N/N=C(\C)CC(=O)NC[C@H]2CCCO2)cc1OC 18093745 RRCSQOXLAIHJIV-MQMKENTISA-N 363.414 1.495 50 40 FDGB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1ccccn1 21898158 USOJAVXAQOLSFJ-HNNXBMFYSA-N 358.373 1.436 50 40 FDGB O=S(=O)(c1ccc(OCCBr)cc1)N1CCOCC1 4218916 RNGPYGSMWJMZME-UHFFFAOYSA-N 350.234 1.481 50 40 FDGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 6339750 JFYGFUCQEDGLCQ-ZIAGYGMSSA-N 361.398 1.444 50 40 FDGB CCC[C@@H](CCC(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)O 26807619 WXMPVXBOXJJPEX-LBPRGKRZSA-N 351.359 1.566 50 40 FDGB CCOc1cc(/C=N/NC(N)=O)cc(I)c1OC 657441 BBHNQXQOCZGRJE-MKMNVTDBSA-N 363.155 1.701 50 40 FDGB O=C(O)[C@@H]1[C@@H](C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)[C@H]2C=C[C@H]1C2 102633235 BOKPIFOYLOPBTM-KPONHCTNSA-N 358.438 1.873 50 40 FDGB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccco2)C1=O 6451609 GMFASWQPXNUYQR-KECVIQKOSA-N 354.322 1.203 50 40 FDGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O 4508562 RKPXGHZXXQEMFK-FMIVXFBMSA-N 373.346 1.755 50 40 FDGB COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NN 4805451 YBQHXUPIJDEEQH-JYRVWZFOSA-N 355.350 1.185 50 40 FDGB Cc1occc1C(=O)NNC(=O)N(C)Cc1ccccc1N1CCOCC1 40068964 FKSHUOUYWSUSEO-UHFFFAOYSA-N 372.425 1.911 50 40 FDGB CC(C)c1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1 575421909 SUJNYVFEORXFOC-OLZOCXBDSA-N 351.877 1.493 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(O)cc1)Cc1ccccc1 6584662 VYPRXYUCJXMZMJ-WOJGMQOQSA-N 361.423 1.304 50 40 FDGB CC1=NN(c2ccccc2)C(=O)/C1=C\NNC(=O)c1ccc(O)cc1O 12474972 KPYRICPMEKTSGS-GDNBJRDFSA-N 352.350 1.639 50 40 FDGB Cc1ccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1[N+](=O)[O-] 28215700 LOWOIMMKNGDESO-DJKKODMXSA-N 356.338 1.531 50 40 FDGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)O 2284039 HGJSKZGZENKXPI-UJMHRVFCSA-N 374.393 1.751 50 40 FDGB COc1ccccc1C(=O)N/N=C/C=N/NC(=O)c1ccccc1OC 5880594 XRPUCVKYEMAOAU-AYKLPDECSA-N 354.366 1.835 50 40 FDGB biogenic Cc1cc(C)n(CC(=O)NNC(=O)c2cncc(Br)c2)n1 7653420 JYBVZUIWISQITJ-UHFFFAOYSA-N 352.192 1.119 50 40 FDGB Cc1ccccc1NCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 13635088 KBUKKUMLAKCZOQ-UHFFFAOYSA-N 353.338 1.788 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccccn1 32794992 IVLJQCAYGHNMRA-OAHLLOKOSA-N 364.405 1.384 50 40 FDGB C=CCc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1O 1081818 GXVXMDRJBVBVJK-VXLYETTFSA-N 350.382 1.939 50 40 FDGB CC1(C)[C@H](O)[C@@]2(Br)CC[C@]1(CC(N)=O)[C@H]2Br 109275451 ZKWIBPNRADGAEX-YKDSUIRESA-N 355.070 1.940 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1C 12786877 KGWKOHXKAIEURW-UHFFFAOYSA-N 362.407 1.698 50 40 FDGB O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(F)cc1 3480901 ONYWSMBTCAXBKD-UHFFFAOYSA-N 369.352 1.663 50 40 FDGB NNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 409261639 CGXDDSVDKGXRNB-UHFFFAOYSA-N 369.830 1.187 50 40 FDGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(OC2CSC2)cc1 5603225 TVVNIFPKFBXYIE-SRZZPIQSSA-N 369.446 1.947 50 40 FDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)COCO2 78964394 LHPXMCIEAGHGOY-INIZCTEOSA-N 356.334 1.154 50 40 FDGB CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccncc2)cc1 6450706 JPJFVGAIZCDWCJ-UHFFFAOYSA-N 358.423 1.359 50 40 FDGB O=C1CC[C@@H](C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CN1 61142583 MSJKCYAMVRORAN-GFCCVEGCSA-N 357.366 1.146 50 40 FDGB CCNC(=O)/C(C#N)=C/c1c(N2CCCCC2)nc2ccccn2c1=O 27061826 FNXCMPCHIJZPBO-WYMLVPIESA-N 351.410 1.728 50 40 FDGB Cc1cc2c(c(=O)n1CCCN(C)C)[C@@H](c1ccncc1)C(C#N)=C(N)O2 5812089 QUTUCXXWTRGNBW-KRWDZBQOSA-N 365.437 1.722 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1 6441515 QNURORRVNFGFMC-UDWIEESQSA-N 356.378 1.940 50 40 FDGB CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)N1C)C(C#N)=C(N)Oc1ccccc12 4517042 KXDRBKHSFDIABR-IBGZPJMESA-N 353.378 1.708 50 40 FDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(F)c3)CC2=O)cc1 408616069 VKJWEFNVNXJQBA-CYBMUJFWSA-N 371.368 1.648 50 40 FDGB Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13622933 CGHAICSBUYZEBQ-MRXNPFEDSA-N 351.406 1.805 50 40 FDGB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN)C2)cc1Cl 408621673 LWAXIHILBQXWNS-JTQLQIEISA-N 361.851 1.129 50 40 FDGB COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccccc2C(=O)OC)C1=O 9343995 OUYPZSWVRGHLFJ-PTNGSMBKSA-N 369.377 1.624 50 40 FDGB O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CC[C@H](B(O)O)C1 585076964 OWCNCBZOMLMHDN-ZDUSSCGKSA-N 368.227 1.685 50 40 FDGB Cc1csc(=O)n1CC(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 7984970 RYTDKTCCECTCFY-UHFFFAOYSA-N 370.390 1.603 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccn1 32794990 MTIHEPMVOMCVAZ-LLVKDONJSA-N 358.785 1.549 50 40 FDGB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)c1ccncc1 4075802 NBUOSDMPQAPRSF-JSFDKUKPSA-N 370.453 1.564 50 40 FDGB O=C(COc1ccc(F)cc1)NN[C@@H]1CC(=O)N(c2ccccc2)C1=O 857199 IHQDZQUIURAXLL-OAHLLOKOSA-N 357.341 1.157 50 40 FDGB O=C(NCCCl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408861015 KUHKSZGGBDXYJN-LBPRGKRZSA-N 351.255 1.848 50 40 FDGB COc1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1OC 408725324 HFBIAXXEXZVAAD-AWQFTUOYSA-N 357.366 1.995 50 40 FDGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C\c1ccccc1Cl 31875886 DGPFDIDUCNUGPA-JZKGFHEDSA-N 373.796 1.746 50 40 FDGB CCOC(=O)c1ccc(N2N=C(NC(C)=O)[C@@H](Br)C2=O)cc1 16687852 CZQUAMHPNFSMCW-LLVKDONJSA-N 368.187 1.423 50 40 FDGB COc1ccc(O)c(C(=O)O[C@H](C)C(=O)NNC(=O)c2ccccc2)c1 20078842 GMXLMWYBFBNEAZ-LLVKDONJSA-N 358.350 1.407 50 40 FDGB Cc1ccc(C(=O)NN(C)c2cnn(C)c(=O)c2Cl)cc1[N+](=O)[O-] 40155335 NGNYJMAIBGLJNO-UHFFFAOYSA-N 351.750 1.432 50 40 FDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCc1ccccc1 8734699 BOPVGRPZKVYORF-UHFFFAOYSA-N 374.466 1.682 50 40 FDGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 4410536 JKGJNQHQBBYQIS-AWQFTUOYSA-N 368.349 1.854 50 40 FDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(C)c3)CC2=O)cc1 68933365 XXQSQEUCLGWUKN-HNNXBMFYSA-N 367.405 1.818 50 40 FDGB COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 408722167 PWPWHCPBEXNLBX-QDBSGRMGSA-N 369.377 1.751 50 40 FDGB COc1ccc(C(=O)[C@@H](I)S(C)(=O)=O)cc1 96517938 USJBJYHAMSNIJA-JTQLQIEISA-N 354.165 1.684 50 40 FDGB O=NN(CCF)C(=O)NC1CCC(NC(=O)N(CCF)N=O)CC1 4934757 DFOQHOPDQOLNOI-UHFFFAOYSA-N 350.326 1.623 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)c(OC)c1 59515469 BJGQFOTUABVSHH-VXLYETTFSA-N 373.365 1.507 50 40 FDGB COc1ccc(OCC(=O)NNC(=S)NC(=O)C2CCCCC2)cc1 2135925 JTCLRUNRRUERLA-UHFFFAOYSA-N 365.455 1.676 50 40 FDGB COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\NC(=O)C1CC1 223736231 SOGJGTTWYXQOQU-SDXDJHTJSA-N 361.423 1.396 50 40 FDGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccccc3O)CC2)cc1 19361003 FVMIREBVXHVOHD-HYARGMPZSA-N 366.465 1.969 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)Cn2c(-c3ccccc3)noc2=O)cc1 5334025 PSOWMAMVGSVCMC-UDWIEESQSA-N 365.393 1.720 50 40 FDGB CCOc1cc(/C=N/NC(N)=O)c(Br)cc1OCC(=O)O 2750410 FDCWMCLGDCFXKS-PJQLUOCWSA-N 360.164 1.313 50 40 FDGB Cc1noc(C)c1CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1 8134374 LYEFLXYVERRJAM-UHFFFAOYSA-N 357.345 1.620 50 40 FDGB N#C/C(C(=O)NNC(=O)c1cccs1)=C(/O)c1ccc([N+](=O)[O-])cc1 100469415 QFJRVSKDIRRJAK-QBFSEMIESA-N 358.335 1.910 50 40 FDGB COCCCNC(=O)CC(=O)N/N=C/c1ccc(Br)cc1 59459636 UCMHXMDVZNKDQB-LICLKQGHSA-N 356.220 1.442 50 40 FDGB C[C@@H](O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 59960635 SZQKOFPWOIZCCI-PMQNUXBPSA-N 369.421 1.774 50 40 FDGB COc1ccccc1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@H]21 101307162 KASBDDHYTZIXMM-PUDGCBNKSA-N 374.871 1.535 50 40 FDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1 68933298 KXKUVCJEHZKRDM-CYBMUJFWSA-N 371.368 1.648 50 40 FDGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)[C@@H](O)c1ccccc1 6782760 XKGIMRVGIRCHJY-UIPUUYQRSA-N 350.378 1.861 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 408878490 BJVGQCQRYUWRID-MZYRPWKCSA-N 370.361 1.529 50 40 FDGB COCc1cc(C)nc(NN/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)c1C#N 5587443 YAGIYZDLOMWPGE-NVNXTCNLSA-N 366.381 1.047 50 40 FDGB O=C(NNC(=O)c1cc(=O)c2ccccc2o1)c1ccc2c(c1)OCO2 8707226 OFEPCWLLQLHGEN-UHFFFAOYSA-N 352.302 1.597 50 40 FDGB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NN)cc2)cc1Cl 408597210 XWZOUCULWUTNHC-UHFFFAOYSA-N 369.830 1.818 50 40 FDGB O=C(CNC(=O)c1cccnc1)NNC(=O)c1cc2ccccc2s1 89873086 JTOYHUGOGFUCHJ-UHFFFAOYSA-N 354.391 1.487 50 40 FDGB O=[N+]([O-])[C@H]1C[C@H](O)CC[C@@H]1SS[C@@H]1CC[C@H](O)C[C@@H]1[N+](=O)[O-] 5188102 FQKSAAXSQKLZKB-ROUNHJLISA-N 352.434 1.485 50 40 FDGB Cc1ccc(Cn2cc(C(=O)NNC(=O)NC(C)(C)C)ccc2=O)cc1 23136154 AAIZIKVCUOECKR-UHFFFAOYSA-N 356.426 1.948 50 40 FDGB Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)ccc1[N+](=O)[O-] 23078667 OMVYNRFXVKLBPI-UHFFFAOYSA-N 363.351 1.583 50 40 FDGB COc1cccc(OC)c1C(=O)OCC(=O)NNC(=O)c1ccccc1 3294140 IAZNZBKBSHSMAT-UHFFFAOYSA-N 358.350 1.322 50 40 FDGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)NC(C2CC2)C2CC2)cc1 45438188 QVDPJVKPNSZRQS-UHFFFAOYSA-N 351.428 1.223 50 40 FDGB O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(Br)s1 6602453 AFUDUAPXBGNURY-UHFFFAOYSA-N 372.200 1.295 50 40 FDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1O 5740924 UNOKXSGSARVEME-XDHOZWIPSA-N 370.365 1.901 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1 6170438 LTRSJFIBMNRORG-CIAFOILYSA-N 369.377 1.233 50 40 FDGB Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=S)NCc1ccccc1 652668 DCNPHSOHOKYZLJ-UHFFFAOYSA-N 371.388 1.906 50 40 FDGB O=C(Nc1cccc(O)c1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408689269 YAHSSXJXSCUMMY-DZDPUUJWSA-N 352.184 1.902 50 40 FDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccs2)c2ccccc21 5576724 UGQWEVAIODGADM-HKWRFOASSA-N 356.407 1.365 50 40 FDGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 408995666 KNOZGXXFIBBIIQ-FYJGNVAPSA-N 374.485 1.916 50 40 FDGB O=C(/C=C/c1ccco1)NNC(=O)CCN1CCN(c2ccccc2)CC1 3302588 WCYJPGSFNFXLKZ-CMDGGOBGSA-N 368.437 1.653 50 40 FDGB NS(=O)(=O)c1ccc(NC(=S)NNC(=O)c2cccs2)cc1 13555178 YRHFNYGZKDZTFP-UHFFFAOYSA-N 356.454 1.027 50 40 FDGB C/C(CC(=O)NC(C)C)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 14923590 HOUPMVMXSPBJLG-LICLKQGHSA-N 365.346 1.452 50 40 FDGB CC(C)CC(=O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 22699063 DZAIWVFUZJPQMY-CYBMUJFWSA-N 371.434 1.172 50 40 FDGB O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccccc1Cl 408720891 AHZRGIGJLGQTJD-UHFFFAOYSA-N 351.769 1.863 50 40 FDGB CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)C1 30599273 RVQFDIDNKMAUHJ-LBPRGKRZSA-N 365.455 1.866 50 40 FDGB CN1C(=O)/C(=N\NC(=O)CNC(=O)CCc2ccccc2)c2ccccc21 6211787 HPBAEHKQAIZSQQ-NMWGTECJSA-N 364.405 1.232 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2 14238761 XYCUTBQEEAQFRY-UHFFFAOYSA-N 368.798 1.735 50 40 FDGB COc1cc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)ccc1O 5550040 XIBPBOMGNOFFTM-LSDHHAIUSA-N 361.785 1.819 50 40 FDGB COc1cccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c1O 5514862 VMPUBSSORVZQGK-VCHYOVAHSA-N 352.354 1.205 50 40 FDGB O=C(O)CC/C(=N/NC(=O)CNC(=O)Cc1ccccc1)c1ccccc1 4814898 YMCSBEUNRFJUEA-XLNRJJMWSA-N 367.405 1.731 50 40 FDGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 7386831 XFUCXTCFVMMGMH-UHFFFAOYSA-N 364.471 1.807 50 40 FDGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccncc2)c(C)c(C#N)c1=O 409057392 PEFGGCJMMGUHKD-FMCGGJTJSA-N 372.388 1.880 50 40 FDGB Cn1cc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c2ccccc21 28667660 GYFHZTCMDFUYPV-KRWDZBQOSA-N 363.373 1.721 50 40 FDGB CCOC(=O)C1=C(N)OC(C)=C(C#N)[C@@H]1c1ccc(OCC(N)=O)cc1 1070148 WPUHUXQFDPTBMV-HNNXBMFYSA-N 357.366 1.195 50 40 FDGB CO[C@H](CCN1C(=O)c2ccccc2C1=O)[C@@H](Br)CC(=O)O 1707411 BLORCHRNDPWCOI-NWDGAFQWSA-N 370.199 1.926 50 40 FDGB O=C(N[C@@H]1C=CS(=O)(=O)C1)OCC(Br)Br 59568551 YBEBLFXYEMBDLV-RXMQYKEDSA-N 363.027 1.139 50 40 FDGB CCCOc1ccc(CCC(=O)N/N=C/[C@H]2C(=O)NC(=O)N[C@@H]2C)cc1 106963359 HNJBKAQBEVIUKP-AUBKCTDYSA-N 360.414 1.354 50 40 FDGB COc1cc(/C=N\NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1O 36022847 SJMXHPPJUHWIPD-OCKHKDLRSA-N 372.337 1.189 50 40 FDGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccc[n+]([O-])c1 6414394 FBMNCOMGBSLHMO-UHFFFAOYSA-N 361.155 1.169 50 40 FDGB O=C(COC(=O)c1ccco1)NNC(=O)c1ccc(Br)cc1 3514560 GMNYFPHAJMYAEE-UHFFFAOYSA-N 367.155 1.660 50 40 FDGB COC(=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2C[C@H]1[C@@H](Br)[C@H]2Br 4769253 KBRJVBWTARLNHP-STRDHONQSA-N 370.037 1.742 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 52411070 GUDFRESXLWJQHP-ZDUSSCGKSA-N 368.349 1.409 50 40 FDGB COC(=O)Cc1n[nH]c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 13858325 YHKLTCZREPOCMB-CQSZACIVSA-N 356.338 1.058 50 40 FDGB COc1cccc([C@H]2[C@H]3CN(C(N)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 1827125 ZUPOMIKXLYWMIL-IRXDYDNUSA-N 374.404 1.499 50 40 FDGB C/C(CC(=O)NNC(=O)c1ccccc1O)=N\NC(=O)c1ccccc1O 104809427 FHZVBWCETXURAW-YBFXNURJSA-N 370.365 1.055 50 40 FDGB Cc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)Cc1ccc(F)cc1 8305461 QFSVUGFOKMRAHT-UHFFFAOYSA-N 370.388 1.203 50 40 FDGB Cc1c(C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 24124747 NDTLETUQICMDCR-NSHDSACASA-N 350.396 1.327 50 40 FDGB Cc1ccccc1-c1nnn(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)n1 408985636 OCWOMPIHVOUARE-ZDLGFXPLSA-N 365.353 1.707 50 40 FDGB O=C(O)COc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 408871611 HRHZZGWRTCVERG-IUXPMGMMSA-N 359.294 1.528 50 40 FDGB CCOc1cccc(/C=N\NC(=O)C(=O)Nc2ccc(OC)cc2)c1O 223151232 SFGOXUSHKYVHPF-ODLFYWEKSA-N 357.366 1.888 50 40 FDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccc(O)c2)cc1 59434159 OFZDRMOKOADRFH-YBFXNURJSA-N 355.350 1.658 50 40 FDGB CCc1cccc(OCC(=O)NNC(=O)COc2ccccc2C#N)c1 6981930 UMLDPOSZKZQFHN-UHFFFAOYSA-N 353.378 1.726 50 40 FDGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)c1 20208432 SNAZALKJKRGATN-YBFXNURJSA-N 360.439 1.615 50 40 FDGB N#CCOc1ccccc1/C=N/NC(=O)CNc1ccc2c(c1)OCO2 409086377 DOHBTJDWDCRDQB-UFFVCSGVSA-N 352.350 1.880 50 40 FDGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc[nH]1 57407812 GASUBUXTIDONBP-CPNJWEJPSA-N 360.439 1.953 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C 408970961 FGMLUSOLJQJVCQ-SRZZPIQSSA-N 360.389 1.446 50 40 FDGB CCCc1c(C(=O)N/N=C/C=C/c2ccccc2)nnn1-c1nonc1N 5477689 YDVCLYQFWATHOW-ABILJCPISA-N 366.385 1.614 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)NC(=O)N(c2ccccc2Cl)C1=O 2308741 SYRWVESJFLALFT-KTKRTIGZSA-N 364.789 1.618 50 40 FDGB C[C@@]1(NNC(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N(c2ccccc2)O1 5920963 UTEMCVLXCSKDSY-KRWDZBQOSA-N 356.338 1.914 50 40 FDGB Cc1ccc(CN2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101302075 PUWCSLRHQXVAAV-YXEAAEFPSA-N 372.899 1.831 50 40 FDGB CCc1ccccc1OCC(=O)NNCC(=O)Nc1cccc(C#N)c1 3289571 XBIVYQFOHFHVLV-UHFFFAOYSA-N 352.394 1.759 50 40 FDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccco2)CC1 59434071 VPHKTEHISQOTCN-CPNJWEJPSA-N 356.382 1.087 50 40 FDGB CC(=O)N[C@H](CC(=O)NNC(=O)c1ccccc1O)c1ccc(C)cc1 10125707 VHMGDGQGJLJNRY-MRXNPFEDSA-N 355.394 1.729 50 40 FDGB Cc1cccc(C)c1N(CC(=O)NN=C1CCN(C)CC1)S(C)(=O)=O 20213911 MWKXBEXOILOZGU-UHFFFAOYSA-N 366.487 1.267 50 40 FDGB O=C(COC(=O)CCC(=O)c1ccccc1)NNC(=O)c1ccccc1 7395936 BXYULIGTAICRAN-UHFFFAOYSA-N 354.362 1.654 50 40 FDGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(Cl)c1OCC(=O)O 10039091 FJEOTVJJMRAWTA-FBCYGCLPSA-N 363.757 1.971 50 40 FDGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)N1CCOCC1 409244223 ZTYHRLIKJZVNMO-VBKFSLOCSA-N 357.410 1.298 50 40 FDGB COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 6047210 OWPNXKAFVVUSBB-RLXLQZHTSA-N 362.430 1.866 50 40 FDGB CCc1sc(C(=O)NNC(=O)CN2CCc3cncnc3C2)cc1C 69521063 GQOJAMWEAMYDMR-UHFFFAOYSA-N 359.455 1.228 50 40 FDGB Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)CCC(=O)O 4508651 IFHQAPKTZRSYEL-UHFFFAOYSA-N 355.778 1.379 50 40 FDGB CCCc1c(C(=O)N/N=C(\C)c2ccc(C)cc2)nnn1-c1nonc1N 5499321 VDYCSSCSVFOBSL-YBFXNURJSA-N 368.401 1.647 50 40 FDGB O=C(NNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccco1 6510812 IBHXNQXMLHZUPB-UHFFFAOYSA-N 356.382 1.985 50 40 FDGB CC1=C(C(N)=O)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CC2)N1 6907292 ISLXIKFCFBLGLF-HNNXBMFYSA-N 358.423 1.473 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccn1 32794989 MTIHEPMVOMCVAZ-NSHDSACASA-N 358.785 1.549 50 40 FDGB C[C@@H](C(=O)N/N=C1\C(=O)Nc2ccccc21)n1cnc2ccccc2c1=O 95661421 BZNDSJVSZPLSBK-NSHDSACASA-N 361.361 1.430 50 40 FDGB O=C(CN1CCN(Cc2ccccc2)CC1)NNC(=O)c1ccccc1 22039247 OVSYUTBNQKAVCL-UHFFFAOYSA-N 352.438 1.265 50 40 FDGB COc1c([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc2c(c1OC)OCO2 15109930 PUJFHHDODLKNTJ-GFCCVEGCSA-N 356.338 1.682 50 40 FDGB CC1(C)OC(=O)[C-]([C@H](c2ccccc2)[C@@H](C#N)C(N)=C(C#N)C#N)C(=O)O1 100927226 ARBLWTRVIFZIDF-ZIAGYGMSSA-N 363.353 1.581 50 40 FDGB CCOc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1OC 60118144 FFBPUSWPFWBILY-ZDLGFXPLSA-N 355.822 1.530 50 40 FDGB Cc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13622934 CGHAICSBUYZEBQ-INIZCTEOSA-N 351.406 1.805 50 40 FDGB CC(C)[C@H](Br)C(=O)NNC1=NS(=O)(=O)c2ccccc21 6263092 RSVXHMACCNXUJI-JTQLQIEISA-N 360.233 1.176 50 40 FDGB Cc1cc(C(=O)NNC(=O)COc2ccc(Br)cc2C)[nH]n1 5490431 HJRHCWKQGJSGIV-UHFFFAOYSA-N 367.203 1.629 50 40 FDGB O=C(O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2ccccc2O)c1 16130879 MAKVHZIOBXOOKD-UHFFFAOYSA-N 370.770 1.367 50 40 FDGB CCC(=O)NC(=O)NC(=O)/C(C#N)=C\Nc1ccc([N+](=O)[O-])cc1OC 8431422 LSBXRFSRDQESIE-HJWRWDBZSA-N 361.314 1.185 50 40 FDGB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@@H]2C1I 32213336 RXRWHNYBBVHTED-ZACCUICWSA-N 367.146 1.270 50 40 FDGB NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)cs1 29456504 ZUPNFMBBIZNDEA-UHFFFAOYSA-N 359.816 1.124 50 40 FDGB Cc1ccc(C(=O)NNC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 9497924 QUSQLRQQJZJRLS-UHFFFAOYSA-N 372.450 1.869 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccn(COc2ccccc2)n1 252483859 FKEFXBZGHHBABY-VXLYETTFSA-N 356.361 1.865 50 40 FDGB CCOc1ccccc1/C=N/NC(=O)CNS(=O)(=O)c1ccccc1 5718874 WKQBNKXMZCZPCL-LDADJPATSA-N 361.423 1.514 50 40 FDGB CCN1C(=O)CS/C1=N/NC(=O)[C@@](O)(c1ccccc1)[C@H]1C=CC=CC1 5807783 AFIORSMYUUEYRN-YMMJDJLPSA-N 371.462 1.989 50 40 FDGB O=C(O)C[C@H](NNC(=O)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1774077 BVACKIMDMGQIHQ-AWEZNQCLSA-N 372.337 1.311 50 40 FDGB CCn1nc(C(=O)NNC(=O)COc2ccccc2)c2ccccc2c1=O 17189448 SBSSSSQGRMLZRB-UHFFFAOYSA-N 366.377 1.256 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)cc1 59515391 TYGSOTYAYAERJD-YBFXNURJSA-N 357.366 1.801 50 40 FDGB Cc1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1C 3347032 MLZROCHHOAVFDN-UHFFFAOYSA-N 350.378 1.625 50 40 FDGB COc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1 13349302 ZNLPEMLPWNHDGJ-UHFFFAOYSA-N 364.379 1.325 50 40 FDGB CCCCn1nc(C(=O)NNC(=O)c2ccncc2)c2ccccc2c1=O 5173808 TVRGTHZNDFYOIY-UHFFFAOYSA-N 365.393 1.666 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)CNC(=O)c2cccs2)cc1C 14249008 SAABNCPYRNUICO-UHFFFAOYSA-N 361.423 1.321 50 40 FDGB Cc1ccccc1CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 14238687 KCCCIDZCNSBPIY-UHFFFAOYSA-N 350.378 1.246 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1 4699055 WBGZAXUFSRNZKN-YBFXNURJSA-N 357.366 1.801 50 40 FDGB O=C(Nc1cccc(O)c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408689275 YAHSSXJXSCUMMY-PTEOKISQSA-N 352.184 1.902 50 40 FDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1 13922008 CCQQMANDTCDTPO-YBFXNURJSA-N 357.366 1.888 50 40 FDGB NC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 15145755 FVWZNOATVQPTTP-AWQFTUOYSA-N 361.785 1.733 50 40 FDGB COc1cc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccccc2)ccc1O 3432045 OPZCHNZSOXASSQ-CSKARUKUSA-N 370.361 1.418 50 40 FDGB N#C/C(=C\c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(N)=O 890485 PTCLFKRCWTXRPM-NRUITVPNSA-N 352.394 1.329 50 40 FDGB CCCn1nc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)ccc1=O 23606200 CONPNRITIWDHDA-AWEZNQCLSA-N 372.425 1.499 50 40 FDGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914821 GKCRRBLAFFKFLQ-YBFXNURJSA-N 356.338 1.997 50 40 FDGB Cc1cc(C)nc(SCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 13001756 JLGYUUGJIHPXHH-AWEZNQCLSA-N 374.422 1.173 50 40 FDGB CCN1C(=O)C(=C(C)NNC(=O)C2CCCCC2)C(=O)N(CC)C1=S 6585620 HGWWPBPSDOIRLS-UHFFFAOYSA-N 366.487 1.457 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1Cl)[C@H]1COc2ccccc2O1 6945309 BJJXJDBRIIKVER-CYBMUJFWSA-N 368.798 1.490 50 40 FDGB Cc1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccncc3)C2=O)cc1 9043888 SNFIDXPMMARTJS-UVTDQMKNSA-N 365.349 1.632 50 40 FDGB O=C(NNC(=O)[C@@H]1CCCN1C(=O)NC1CCCCC1)C1CCCC1 84543970 ZEVFIURSDDWMOY-HNNXBMFYSA-N 350.463 1.831 50 40 FDGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccccn1 33663916 RGWOREHIQOPIFZ-UYRXBGFRSA-N 360.439 1.036 50 40 FDGB C/C(=N/NC(=O)CNC(=O)/C=C/c1ccco1)c1ccc2c(c1)OCCO2 4587417 GWEJRRFFPBELGK-ANWJJWKTSA-N 369.377 1.721 50 40 FDGB COc1ccc2cc(C(N)=O)/c(=N/NC(=O)c3ccccc3N)oc2c1 1889264527 UINXCGLDYONPDU-PYCFMQQDSA-N 352.350 1.368 50 40 FDGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885079 UNOJNVRMYITSHS-CXUHLZMHSA-N 357.282 1.592 50 40 FDGB O=C(NNC(=O)c1cc(O)nc2ccccc12)c1ccc2c(c1)OCO2 14166692 TWHBWKZUGVSFNK-UHFFFAOYSA-N 351.318 1.744 50 40 FDGB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 7978054 XNFGEGNJKKURSR-HOWZEMPXSA-N 364.490 1.823 50 40 FDGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OC)cc2)s1 408730906 JZFUYDSCMOFRGI-CXUHLZMHSA-N 363.399 1.808 50 40 FDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)o1 84374121 HEPUVROCRKQESM-UKRRQHHQSA-N 355.394 1.959 50 40 FDGB CC(C)c1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 575421911 SUJNYVFEORXFOC-STQMWFEESA-N 351.877 1.493 50 40 FDGB C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N/NC(=O)C[n+]1ccccc1 5503134 OYPRUSZGALXPIW-UYRXBGFRSA-O 356.362 1.403 50 40 FDGB C/C(CC(=O)Nc1ccc(F)cc1F)=N\NC(=O)C(=O)N1CCCC1 100059388 OLPPBFFSTFXGOU-KEBDBYFISA-N 352.341 1.408 50 40 FDGB C[C@H](NC(N)=O)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl 25386489 WZOCQVUDIGKREI-LURJTMIESA-N 365.242 1.290 50 40 FDGB O=C(NNC(=O)c1cnc2sccn2c1=O)c1cc2c(s1)CCCC2 14251198 ODHJOKJWUMFHDQ-UHFFFAOYSA-N 374.447 1.771 50 40 FDGB CC[C@@H](C)NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc2c(c1)OCO2 4834171 WISWKOIUYCIQBD-GIGINYPFSA-N 362.386 1.151 50 40 FDGB O=C(Cn1c(=O)cnc2ccccc21)NNC(=O)c1cccc(Cl)c1 17247549 BIIHCHYJLUQHHL-UHFFFAOYSA-N 356.769 1.511 50 40 FDGB Cc1nn(C)c2nc(Cl)cc(NNC(=O)c3ccnc4[nH]nnc34)c12 1558034660 UXETWXCBKZGVAV-UHFFFAOYSA-N 357.765 1.353 50 40 FDGB COc1cccc(/C=C2/SC(=S)N(/C=C(/C#N)C(N)=O)C2=O)c1O 17223311 LHRUSAJUQRBIOC-QSTITTEPSA-N 361.404 1.495 50 40 FDGB COC(=O)c1ccc([C@H]2C(C#N)=C(S)NC(=O)[C@@H]2[n+]2ccccc2)cc1 17143961 FIVNCXRKESNPHA-JKSUJKDBSA-O 366.422 1.880 50 40 FDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1OC 59515612 GFPKKEMDSCZOOY-WSDLNYQXSA-N 368.393 1.422 50 40 FDGB Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)NN=C1CCCC1 25763576 CMPBNOOOBLOPBJ-UHFFFAOYSA-N 352.358 1.559 50 40 FDGB CSc1nc(C)cc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)n1 3118145 KGGQUPWFTFETKI-LZYBPNLTSA-N 361.383 1.944 50 40 FDGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)C(=O)Nc1ccccc1C 4610849 PWIFFERRFRTXJT-FYJGNVAPSA-N 356.382 1.725 50 40 FDGB N#CC1(C#N)[C@H](c2ccccc2)[C@@H](Br)[C@@]2(O)C[C@]1(C#N)C(=O)N2 2286226 RZIYULXBHNHLCK-HLSYRSCKSA-N 371.194 1.299 50 40 FDGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1C 6901535 GLYALZUODFMVTA-AWEZNQCLSA-N 357.366 1.435 50 40 FDGB O=C(NN[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O)c1ccncc1 35682665 MGIFCCLXISXBBR-HNNXBMFYSA-N 369.425 1.359 50 40 FDGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4cccc(O)c4)[C@@H]13)[C@H]2Br 138599908 YAHSSXJXSCUMMY-HKLHZYFVSA-N 352.184 1.902 50 40 FDGB Cn1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cn1 8779952 HPGLEGYEXSCSEK-LFIBNONCSA-N 361.409 1.902 50 40 FDGB CCS(=O)(=O)[C@H](I)[C@H](O)c1ccc(OC)cc1 96519300 IATDOIZUWSSELG-MNOVXSKESA-N 370.208 1.924 50 40 FDGB Cc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 101486568 VGVRMKXVZNDLDA-GASCZTMLSA-N 357.410 1.321 50 40 FDGB O=C(NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)c1ccc(Cl)cc1 30672652 GTLYLQCVJYMSHY-NXEZZACHSA-N 363.723 1.558 50 40 FDGB N#CCC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 28214261 GZKHMECZCGQTJV-LPYMAVHISA-N 350.378 1.746 50 40 FDGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c1O 4199355 QKQZSYQNTGSIEV-KEBDBYFISA-N 361.785 1.821 50 40 FDGB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccco1 16291265 FRASVYRBFBJBST-YVLHZVERSA-N 365.411 1.367 50 40 FDGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccc(O)cc1O 19849335 PCMDLUGQDBUFCF-BKUYFWCQSA-N 368.437 1.366 50 40 FDGB COc1cc(OC)cc(C(=O)NN[C@H](C(=O)NC2CC2)c2ccccc2)c1 15475232 MEIDLURRMBPSRU-SFHVURJKSA-N 369.421 1.958 50 40 FDGB COc1cccc(NCC(=O)NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 12534566 VRAUQCFXTACQKD-UHFFFAOYSA-N 359.342 1.059 50 40 FDGB CCn1nc(C(=O)NNC(=O)Cc2ccc(C)cc2)c2ccccc2c1=O 8241490 COVMYHXOHBAEQQ-UHFFFAOYSA-N 364.405 1.729 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCC(N)=O 408966697 NAXGBTSRKIDNCO-LSFURLLWSA-N 370.340 1.334 50 40 FDGB CS(=O)(=O)[C@H](I)[C@H](O)c1cccc([N+](=O)[O-])c1 96519176 YROABAIEPSXDHW-BDAKNGLRSA-N 371.152 1.434 50 40 FDGB COc1ccc(NC(=S)NNC(=O)[C@@H](O)c2ccccc2)cc1OC 6569496 VGFBIYKKTRKEMW-HNNXBMFYSA-N 361.423 1.755 50 40 FDGB O=C(NNC(=O)c1ccc(Br)o1)c1ccc2c(c1)OCO2 6335253 PHFBWBZOZODEGR-UHFFFAOYSA-N 353.128 1.846 50 40 FDGB CCCCCCC(=O)NN/C=C1\C(=O)NC(=S)N([C@H](C)CC)C1=O 9109777 AOXNJCIOAOFNDR-KPMWUXBGSA-N 354.476 1.503 50 40 FDGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc([N+](=O)[O-])c1O 408957551 UZPIJQSDKGWUQA-CXUHLZMHSA-N 353.331 1.302 50 40 FDGB Cc1cc(C)nc(N2CCC[C@@H](C(=O)NNC(=O)c3ccncc3)C2)n1 4967844 VNGCICOCTQRSTE-OAHLLOKOSA-N 354.414 1.166 50 40 FDGB Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 3566469 YPXOFCWWCLWPNY-MRVPVSSYSA-N 368.484 1.836 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)CSc2nc(C)cc(N)n2)cc1 9313466 KZZWACYCBGCMDM-UHFFFAOYSA-N 361.427 1.319 50 40 FDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccccc1 974538 QLNSIBWRXFJUHV-KEBDBYFISA-N 361.365 1.819 50 40 FDGB CC(C)c1c(C(=O)N/N=C/c2ccc(F)cc2)nnn1-c1nonc1N 2393499 NHUDCDSWGWJVEN-CNHKJKLMSA-N 358.337 1.259 50 40 FDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C[C@H]1C=CCC1 12702148 JAWZYMJGGDZIQX-LBPRGKRZSA-N 350.444 1.405 50 40 FDGB COc1cc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc(Cl)c1OC 8746531 HWTYAWNQXVSYFD-UHFFFAOYSA-N 352.778 1.392 50 40 FDGB Cc1ccc(-c2nc(C(=O)NNC(=O)Cn3ccccc3=O)cs2)cc1 14082993 KBRBUHJXEIZDGI-UHFFFAOYSA-N 368.418 1.741 50 40 FDGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)C(=O)Nc1ccccc1C 4600953 WEWWHTMQBWVZKB-LPYMAVHISA-N 353.382 1.849 50 40 FDGB NC(=O)NNC(=O)COCC(=O)NC1CCCCCCCCCCC1 4682629 IJSGLQAIJAOZSV-UHFFFAOYSA-N 356.467 1.492 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 408999841 WDQKLHJOBBHASY-VXLYETTFSA-N 372.337 1.076 50 40 FDGB Cc1ccc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1 47367717 USDFXSYHHQLFQZ-UHFFFAOYSA-N 368.798 1.970 50 40 FDGB CC(=O)c1ccc(NC(=O)/C(=N\NC(N)=O)[C@H](C#N)CC(C)(C)C=O)cc1 16957653 JXQAYEPFUXEYML-NHEFTAMWSA-N 371.397 1.607 50 40 FDGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1cc(Cl)ccc1C 4405624 YCHVDTJJGMAWEV-RGVLZGJSSA-N 368.821 1.232 50 40 FDGB C=CCNC(=S)NNC(=O)[C@@H](CCCC)C[C@H](O)COCC(C)C 13635282 PEMMICOLBWLJSH-GJZGRUSLSA-N 359.536 1.898 50 40 FDGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 408999423 KYKZILSAZYGYGZ-QGMBQPNBSA-N 357.395 1.332 50 40 FDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCc1ccco1 9058147 MQRFRPKWVYFXFT-UHFFFAOYSA-N 364.427 1.275 50 40 FDGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1 14824957 RMFSLJVEZZJOSM-OAHLLOKOSA-N 367.405 1.899 50 40 FDGB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)cc1 16321116 AZZBBOIHDQVIKU-XYOKQWHBSA-N 359.363 1.164 50 40 FDGB Cc1cccc(N2/C(=N/C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 16741151 YWMKFAULYQZQGO-DDVQTAGUSA-N 358.872 1.835 50 40 FDGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 59960119 XDEGUJPBXQCBRR-AWQFTUOYSA-N 374.784 1.293 50 40 FDGB O=C(NN[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)c1ccccc1 4740050 GWTYOJMWYLQIGY-AWEZNQCLSA-N 354.322 1.161 50 40 FDGB COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc([N+](=O)[O-])c1O 409380364 LQFVSLLOHMPRCF-GIJQJNRQSA-N 350.375 1.681 50 40 FDGB COc1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 32576939 QQIVBXRWKHVREW-JCMHNJIXSA-N 366.465 1.963 50 40 FDGB CN1CCC(=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 20209701 GNDOVJCOOCUEIR-UHFFFAOYSA-N 372.878 1.304 50 40 FDGB CCn1ncc(/C=N/NC(=O)c2nn(C)c(C)c2Br)c1F 252505508 VSBAZBULWLAUKA-PJQLUOCWSA-N 357.187 1.610 50 40 FDGB CN1CCN(C(=O)[C@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)CC1 100868358 MYLKLBIVJDZYHM-RLCCDNCMSA-N 357.292 1.919 50 40 FDGB O=C(Cn1c(-c2ccccc2)cc(=O)n2ncnc12)N/N=C/c1cccnc1 2180817 CJOMHNOHCIYNKV-SSDVNMTOSA-N 373.376 1.103 50 40 FDGB CCc1ccc(OCC(=O)NNC(=O)CNC(=O)c2ccc(C)cc2)cc1 12760727 XVVOUJMRYXSNQS-UHFFFAOYSA-N 369.421 1.514 50 40 FDGB O=C(NN[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1[N+](=O)[O-] 857139 STTFGMUDFBXMMG-CYBMUJFWSA-N 354.322 1.161 50 40 FDGB COc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 101318854 MKSWTSQCWGEULM-NZQCTYEBSA-N 374.871 1.535 50 40 FDGB CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1 408608424 HKAONLBOJPYGRS-SSDVNMTOSA-N 373.384 2.000 50 40 FDGB COc1ccc2c(c1)OCC(/C=C(\C#N)c1nc(N)nc(N(C)C)n1)=C2 14178299 IENKWIGVMPPKCB-NTUHNPAUSA-N 350.382 1.911 50 40 FDGB CC(=O)Nc1cccc(C(=O)OCC(=O)NNC(=O)c2ccccc2F)c1 7706858 MXLMDOQESLWUNP-UHFFFAOYSA-N 373.340 1.402 50 40 FDGB C[C@H]1C[C@H]1C(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 9603096 XOUCJTQQSVWXIK-BLLLJJGKSA-N 362.389 1.803 50 40 FDGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1C 408965220 UTGCVVFAGPIHOS-LSHDLFTRSA-N 354.410 1.730 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)c1ccccc1 226856094 AYLSLESJXCOLHJ-UHFFFAOYSA-N 354.771 1.662 50 40 FDGB CC(C)(C)NC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 3082600 KYCOKPDCUWAMJU-OMCISZLKSA-N 370.203 1.543 50 40 FDGB COC(=O)c1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 660224 LLFKOXHWOGDCLT-ROUUACIJSA-N 373.416 1.828 50 40 FDGB Cc1occc1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 8026729 QTZNVUMFJQHIRF-UHFFFAOYSA-N 356.426 1.561 50 40 FDGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1CC=CCC1 8747675 QQJXCGLIOVMSMV-QGZVFWFLSA-N 356.470 1.702 50 40 FDGB C[C@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 27313793 FENAKZOCZVEKTI-ONGXEEELSA-N 366.487 1.717 50 40 FDGB Cc1cc(C(=O)NC(=S)NNC(=O)c2cccs2)ccc1[N+](=O)[O-] 32118737 RRUCYHZTZPYTDP-UHFFFAOYSA-N 364.408 1.914 50 40 FDGB CC(C)(C)NC(=O)NC(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1 5297239 UMFAXDRGAYYXAW-VIFPVBQESA-N 363.443 1.375 50 40 FDGB CC(=O)NNC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 4861509 QMYVCCQZZNVOCB-UHFFFAOYSA-N 352.441 1.123 50 40 FDGB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NNC(=O)c1cccs1 9500521 FNFGTENXMBVLNQ-NRUUGDAUSA-N 368.484 1.235 50 40 FDGB CCN(CC)C(=O)c1ccc(N/C=C2\C(=O)NC(=O)C(C#N)=C2C)cc1 16678384 JNWGKOSSMCCETK-WJDWOHSUSA-N 352.394 1.961 50 40 FDGB Cc1ccccc1N1C(=O)/C(=C\NNC(=O)c2ccccc2)C(=O)N=C1O 17138041 BAJDTIXUJIIMJL-KAMYIIQDSA-N 364.361 1.601 50 40 FDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N(C)C)cc1 5576431 MVHZCQKOCLREPI-GDNBJRDFSA-N 374.422 1.071 50 40 FDGB O=C(COC(=O)c1ccc(OC(F)F)cc1)NNC(=O)c1ccccc1 3495360 FIEXLYYTYGGFDL-UHFFFAOYSA-N 364.304 1.906 50 40 FDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 101300750 PGJXODHLGUFXQC-SGVFRHMUSA-N 362.835 1.666 50 40 FDGB O=C(CN1CCN(c2ccccc2)CC1)NNC(=O)c1ccccc1F 12533557 RYSBCWSILLIYAT-UHFFFAOYSA-N 356.401 1.409 50 40 FDGB Cc1c(C(=O)NNC(=O)c2cccc(O)c2)sc2ncn(C)c(=O)c12 13081864 YTXVQDKGEFCNJO-UHFFFAOYSA-N 358.379 1.084 50 40 FDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 13511623 JNUYOQQSJNOBBN-IAGOWNOFSA-N 360.377 1.950 50 40 FDGB CC(C)(C)c1[nH]nc2c1[C@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)O2 4168455 NJBWWEOIAGMCBB-CQSZACIVSA-N 367.409 1.789 50 40 FDGB C[C@@]1(C(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1Br 4772817 NBMGJWLWWFZCMH-FKULILBMSA-N 368.187 1.929 50 40 FDGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(COC)c32)c2ccccc21 6733532 NYWKVKJAXAKAJE-LJQANCHMSA-N 363.377 1.461 50 40 FDGB COc1cc(OC)cc(C(=O)NNC(=O)Cc2nc3ccccc3[nH]2)c1 6967762 ALERGHALSRJHIF-UHFFFAOYSA-N 354.366 1.584 50 40 FDGB O=C(CN1CCCc2ccccc21)NNC(=O)[C@@H]1COc2ccccc2O1 40161064 RFEOSMOSQRLTKG-SFHVURJKSA-N 367.405 1.427 50 40 FDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCNC(=O)c1ccco1 13000179 DCFKPTMZPIJRRD-LLVKDONJSA-N 363.345 1.154 50 40 FDGB CC(C)NC(=S)NNC(=O)COc1cccc(N2CCCC2=O)c1 15667727 ZUAJCWCJDYONRA-UHFFFAOYSA-N 350.444 1.096 50 40 FDGB COCc1cccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 8141035 YRFRHCRGSNTWTD-UHFFFAOYSA-N 374.393 1.934 50 40 FDGB Cc1ccc(Cn2cc(C(=O)NNC(=O)NCC(C)C)ccc2=O)cc1 23136157 LNMOPBWMHKROOV-UHFFFAOYSA-N 356.426 1.805 50 40 FDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(C)cc3)CC2=O)cc1 52411122 IPMXFSWVSBSPCB-OAHLLOKOSA-N 367.405 1.818 50 40 FDGB Cc1cc2c(c(=O)n1CCN(C)C)[C@@H](c1cccnc1)C(C#N)=C(N)O2 2252641 QXMPFCZTWUCZAP-INIZCTEOSA-N 351.410 1.332 50 40 FDGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3Cl)C2=O)cc1 2348328 YLPMXKCWTKWKHK-OAHLLOKOSA-N 373.796 1.915 50 40 FDGB C[C@H]1CCC/C(=N\NC(=O)C[C@H]2NC(Cc3ccccc3)=NNC2=O)C1 4764157 XTWOSFYVLXPNSR-JSFYBJBCSA-N 355.442 1.703 50 40 FDGB Cc1cc2ccccc2n1CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 15427091 HHFICDKYCNTACO-GOSISDBHSA-N 365.389 1.937 50 40 FDGB CCOC(=O)O[C@@H](C)OC1=C(C=O)N(C)S(=O)(=O)c2ccccc21 390822644 FQBGCOQTINXBKP-JTQLQIEISA-N 355.368 1.724 50 40 FDGB CC(C)(C)OC(=O)NN[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 17724593 MARQXFWCPLVLGL-NSHDSACASA-N 350.331 1.256 50 40 FDGB CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1Br 59246527 MYWHJTNPFRMHHP-YVLHZVERSA-N 370.247 1.630 50 40 FDGB COc1ccc(OC)c(/C=C/C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1 5298362 QSPQKSZWGLUHMJ-LHRNQBEKSA-N 368.455 1.209 50 40 FDGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1ccccc1 4895501 ZLUSRLXPDRJKEL-UHFFFAOYSA-N 352.438 1.660 50 40 FDGB CO[C@@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@@H]1SC#N 5048029 BPVKXUSSTFCNFF-KZVDOYCCSA-N 354.340 1.067 50 40 FDGB CC(=O)NNC(=O)CCCN1C(=O)/C(=C\c2ccccc2)SC1=S 6304742 DHAZXZFRLMYCJJ-JLHYYAGUSA-N 363.464 1.835 50 40 FDGB O=C1[C@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3O)[C@@H]2C(=O)N1Cc1ccccc1 100176449 ODNUEARIKRPROV-LQSBQDLSSA-N 350.212 1.562 50 40 FDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)o1 84374119 HEPUVROCRKQESM-DZGCQCFKSA-N 355.394 1.959 50 40 FDGB N[C@H](CSSC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(=O)O 1675895 NFPHAUIPMMUEFQ-GHMZBOCLSA-N 374.440 1.159 50 40 FDGB COc1cccc(OCC(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1 722539 PYWFUSDLCJMSSY-UHFFFAOYSA-N 360.366 1.552 50 40 FDGB Cc1ccccc1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@H]21 101312174 NCHLRSBREKEERR-AZNAFKMUSA-N 358.872 1.835 50 40 FDGB CCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3)C2=O)cc1 2233821 DYPGXPQHHQXGKZ-INIZCTEOSA-N 353.378 1.652 50 40 FDGB COc1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 408726474 NUOSDLAHBLGHEO-UFWORHAWSA-N 372.337 1.894 50 40 FDGB Cc1ccc[n+](C2=NC(=O)S/C2=C\NNC(=O)c2ccccc2O)c1 15973795 OXHHQYBAKQMBPG-UHFFFAOYSA-O 355.399 1.878 50 40 FDGB COc1ccccc1/C=N/NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 8496713 XHMMVOOXABEMBV-GIJQJNRQSA-N 367.814 1.760 50 40 FDGB Cc1cccc(N2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)c1 16741149 YWMKFAULYQZQGO-VVMFYBRISA-N 358.872 1.835 50 40 FDGB CN1CCN(CCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)CC1 22029603 RHITZICKXKKDPC-UHFFFAOYSA-N 359.257 1.392 50 40 FDGB CCOc1ccc(/C=N/NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 59488447 FSLQMAKHBSXTMX-FYJGNVAPSA-N 374.485 1.961 50 40 FDGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1ccccc1[N+](=O)[O-] 100507235 DIIAQVHDDGJWJX-UHFFFAOYSA-N 355.266 1.589 50 40 FDGB COc1cc2c(cc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-])OCO2 409064087 BNSSHPRIJBAXJO-QGMBQPNBSA-N 373.321 1.861 50 40 FDGB O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1ccc(Br)o1 4651768 BSTGYVZGQCXXRZ-YUMQZZPRSA-N 357.160 1.470 50 40 FDGB CS(=O)(=O)N1CCC[C@H]1C(=O)NN=C(c1ccccc1)c1ccccc1 30553820 UOIXZQUUOTZZHL-KRWDZBQOSA-N 371.462 1.979 50 40 FDGB CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccncc1)C(C#N)=C(N)C2(C#N)C#N 668904 IKPJXQGZGOLDGX-RDJZCZTQSA-N 374.404 1.963 50 40 FDGB CCCc1ccc(S(=O)(=O)NNC(=O)Cn2c(C)csc2=O)cc1 12973634 KPLNRAVYIBZKLG-UHFFFAOYSA-N 369.468 1.180 50 40 FDGB CC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)c2ccccc2O)cc1 13011587 BBNMNNWFHPZOFL-UHFFFAOYSA-N 369.421 1.881 50 40 FDGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)[C@@H](C(=O)O)C1 5523257 BKHMQVPIQXGNBU-OLZOCXBDSA-N 360.366 1.624 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 6646040 ORPBFDGVXGHEFE-SVZNOHIVSA-N 365.389 1.976 50 40 FDGB COc1cc(/C=N/NC(=O)Cn2nc(C)cc2C)ccc1OC(=O)C1CC1 7781760 LKWHUOBWUJVYHU-KEBDBYFISA-N 370.409 1.974 50 40 FDGB Cn1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cn1 8187501 SFMZZQPFZYEHRF-UHFFFAOYSA-N 350.378 1.927 50 40 FDGB N[C@@H](Cc1cc([N+](=O)[O-])ccc1CN(CCCl)CCCl)C(=O)O 42852713 VEBTZMUIBMIPCD-ZDUSSCGKSA-N 364.229 1.829 50 40 FDGB COc1ccc(C(=O)NNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 6908304 YJUWXKSLKMYHKP-UHFFFAOYSA-N 366.377 1.326 50 40 FDGB Cc1ccc(C(=O)NNC(=O)NCc2ccc(-n3ccnc3)nc2)cc1 29327367 IBJYENKPHMNVMX-UHFFFAOYSA-N 350.382 1.720 50 40 FDGB COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)N(C)C 59334959 DDLUQKOGOGPUPC-WDZFZDKYSA-N 367.199 1.996 50 40 FDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C1 36075036 RTUXDMYLNAZMSS-WBVHZDCISA-N 360.377 1.950 50 40 FDGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2)[C@H](C(=O)OC)C(=O)N1 103708739 ZXCODCUCHBFUHW-GJZGRUSLSA-N 374.418 1.721 50 40 FDGB COC(=O)c1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 2356824 LYWYECUUSNPXEL-VCHYOVAHSA-N 357.322 1.911 50 40 FDGB CC(C)c1n[nH]c2c1[C@@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9359544 NDJBZAGAPLZDEJ-KRWDZBQOSA-N 366.337 1.766 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1 409139247 AQWKOEUKVYOKHK-KEBDBYFISA-N 370.361 1.660 50 40 FDGB COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccc(F)cc1 13358501 DCCSMCYQVFOTOM-UHFFFAOYSA-N 368.342 1.156 50 40 FDGB Cc1ccccc1C(=O)NNC(=O)C1CCN(c2ccc(C#N)cn2)CC1 14419390 XSRINBKNBZFAJK-UHFFFAOYSA-N 363.421 1.939 50 40 FDGB CN1C(=O)C(=Cc2ccccc2OCCBr)C(=O)N(C)C1=O 5198154 DOSKZZYMTUMOCT-UHFFFAOYSA-N 367.199 1.894 50 40 FDGB CC(=O)N1C(=O)Cc2cc3c(cc21)N(C(C)=O)C(=O)[C@@H]3Br 100368400 DPMVQPAWYNOYBW-CYBMUJFWSA-N 351.156 1.451 50 40 FDGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)[C@@H]1COc2ccccc2O1 3334211 QWWCJHYBLNESQU-IOVUBPJKSA-N 367.405 1.813 50 40 FDGB COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 4685358 FDIIQLASIOKLLD-GIJQJNRQSA-N 358.310 1.825 50 40 FDGB Cc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(C)c1 9366132 TXLPVCQRLOVBAF-UHFFFAOYSA-N 360.439 1.671 50 40 FDGB COc1cc(OC)cc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)c1 7379374 JSGDAEVXIHNISV-CMDGGOBGSA-N 362.407 1.939 50 40 FDGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 36020635 ZTFRGNYPSGDGOW-UFWORHAWSA-N 360.301 1.320 50 40 FDGB N#Cc1c(O)nc2c(O)nnc(-c3ccc4ccccc4c3)c2c1C(=O)NN 16941875 JUVKLOHZTUKJCC-UHFFFAOYSA-N 372.344 1.731 50 40 FDGB COc1ccccc1-c1c[nH]nc1-c1ccc(OCC(=O)NN)cc1O 18209508 MMJSMUHREOUBDM-UHFFFAOYSA-N 354.366 1.827 50 40 FDGB CN1N=C(C(=O)NNC(=O)c2sc3ccccc3c2Cl)CCC1=O 40013498 QAVOLPGLMRKROJ-UHFFFAOYSA-N 364.814 1.924 50 40 FDGB C[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 27313788 FENAKZOCZVEKTI-KOLCDFICSA-N 366.487 1.717 50 40 FDGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1O 409045906 JRALXZGBJFXKDA-RQZCQDPDSA-N 374.309 1.910 50 40 FDGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)C(=O)NC(N)=O 409232670 BCHXDSXKKDBTCH-UVTDQMKNSA-N 364.361 1.806 50 40 FDGB COc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)c([N+](=O)[O-])c1OC 19943122 WNNKJEAPHLOFJI-UHFFFAOYSA-N 359.367 1.830 50 40 FDGB O=C(/C=C/c1ccccc1)NCC(=O)N/N=C/c1ccc2c(c1)OCO2 13943671 TUEPCZVHHCOXMQ-ZNEMGKFASA-N 351.362 1.695 50 40 FDGB NC(=O)CCn1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 409259377 ZDPOPBGMDYKJKT-OZNZCJATSA-N 364.405 1.700 50 40 FDGB Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C\C(=O)O)cc2)cc1 409377268 HHGCSJQUULUDAQ-KHPPLWFESA-N 367.361 1.649 50 40 FDGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 45881339 BFFNEVTVTFGCAS-LLVKDONJSA-N 367.833 1.614 50 40 FDGB O=C(N/N=C/c1ccccn1)c1cccc(S(=O)(=O)N2CCCC2)c1 2644535 KSEIGNFHOGCZRA-CPNJWEJPSA-N 358.423 1.630 50 40 FDGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 59960078 OVCRHOXOMMRJQX-AWQFTUOYSA-N 374.784 1.293 50 40 FDGB O=C(COc1ccc(/C=N\NC(=O)c2ccco2)cc1)NC[C@@H]1CCCO1 28616188 MEFYGIHAGIASJJ-SJJOQSKNSA-N 371.393 1.718 50 40 FDGB NNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 223466735 TVITVPHWOAHUDJ-UHFFFAOYSA-N 353.831 1.521 50 40 FDGB N#C/C(=C/N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)C(N)=O 1637387 RLQJGAUFWKPWTJ-RCFIOZFRSA-N 360.376 1.689 50 40 FDGB COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccccn1 100510136 ZPHOKTXVNOUOBQ-WSDLNYQXSA-N 369.381 1.550 50 40 FDGB Cc1ccccc1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 3297031 QMVFPTDFULSFAU-UHFFFAOYSA-N 366.465 1.968 50 40 FDGB COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 409115663 NHUAADMNJKVEIZ-LDADJPATSA-N 361.423 1.855 50 40 FDGB COc1ccccc1CC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 669856 BRZSYPWMWZAFHK-UHFFFAOYSA-N 365.367 1.156 50 40 FDGB COc1ccc(OCC(=O)NN[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 857203 BSQMDHDHFDXMOJ-MRXNPFEDSA-N 369.377 1.027 50 40 FDGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)C(=O)NC(C)C 4713781 SMEYSZXDFPGOAL-WSDLNYQXSA-N 362.474 1.478 50 40 FDGB N#CC1(C#N)[C@H](c2ccccc2)[C@@H](Br)[C@]2(O)C[C@@]1(C#N)C(=O)N2 102676170 RZIYULXBHNHLCK-ZNEHSRBWSA-N 371.194 1.299 50 40 FDGB CCCn1nc(C(=O)NNC(=O)c2cccnc2)c2ccccc2c1=O 14201919 XGOQGCAHXCGZNX-UHFFFAOYSA-N 351.366 1.276 50 40 FDGB O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 8981616 LDVXWIYWRRICLQ-UHFFFAOYSA-N 356.875 1.637 50 40 FDGB O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc([N+](=O)[O-])c1 8958885 RMRUCDROGMAZKZ-UHFFFAOYSA-N 360.282 1.343 50 40 FDGB C/C(=N\NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1O 6686735 FXZHPKMAOBPSGP-GIJQJNRQSA-N 367.814 1.847 50 40 FDGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(CCO)c(=O)c21 4851049 JHQSMORROMCSNU-QGZVFWFLSA-N 367.405 1.766 50 40 FDGB COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O1 808913 IXKXMQXNGAKCNR-HNNXBMFYSA-N 374.349 1.199 50 40 FDGB Cc1cc(C)n2c(SCC(=O)NNC(=O)c3cccs3)nnc2n1 6881211 JAJFKRGTDUEFOT-UHFFFAOYSA-N 362.440 1.356 50 40 FDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1cccc2ccccc12 409370042 JWJHCGGQRYGBQO-OLPIVMHESA-N 366.373 1.645 50 40 FDGB CC1(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)OCCO1 408591535 USQQXTSKAFMWBR-OVCLIPMQSA-N 372.175 1.961 50 40 FDGB CCS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc(OC)cc1 96519303 IATDOIZUWSSELG-WDEREUQCSA-N 370.208 1.924 50 40 FDGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC 853971 HUSSABQFGBWBBS-UWUHSAQLSA-N 361.354 1.814 50 40 FDGB N#C/C(=C\c1ccc(Br)cc1)C(=O)NCCN1CCOCC1 21540261 QLVIQZZTJKXRSP-SDNWHVSQSA-N 364.243 1.804 50 40 FDGB O=C(COC(=O)c1cccc(OC(F)F)c1)NNC(=O)c1ccccc1 3303541 WAMGPAQUZWSSQV-UHFFFAOYSA-N 364.304 1.906 50 40 FDGB O=C1NC(=O)C2(CCC(C(=O)NNc3ccc(F)c(F)c3F)CC2)N1 84339164 HSIUFAGFKGLDLF-UHFFFAOYSA-N 356.304 1.315 50 40 FDGB Cc1ccc(NCC(=O)NNC(=O)CN(C)[C@@H]2CCSC2)c(C)c1 95448823 QIIWGJABAYHHFI-CQSZACIVSA-N 350.488 1.300 50 40 FDGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1cccc([N+](=O)[O-])c1 408972944 IDXJQWKZNDTMBG-GIJQJNRQSA-N 369.316 1.538 50 40 FDGB COc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)ccc1O 32116914 ZDPBCSLGSZHFPA-BKUYFWCQSA-N 355.394 1.600 50 40 FDGB COc1ccccc1C(=O)NN[C@@H]1OC(=O)c2c1ccc(OC)c2OC 5375418 JQOXQUUBKOQHCH-QGZVFWFLSA-N 358.350 1.816 50 40 FDGB CC[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)C)cc2C1 27327214 NRNHVBMWJQMMHO-HZMBPMFUSA-N 366.487 1.717 50 40 FDGB CC(C)CCN1C(=O)C[C@H](NNC(=O)c2cc3ccccc3cc2O)C1=O 95351767 LCWIDHBPVVMPTO-INIZCTEOSA-N 369.421 1.953 50 40 FDGB O=C(NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1cccs1 14046744 SSZDNOQYLGKDBL-UHFFFAOYSA-N 370.390 1.984 50 40 FDGB CCCc1c(C(=O)N/N=C/c2ccccc2Cl)nnn1-c1nonc1N 5478488 XBTWHOOXPCVWGG-QGMBQPNBSA-N 374.792 1.602 50 40 FDGB C#CCN1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 5561228 RDEHHMKZIPFZIM-FQMKLWGBSA-N 361.357 1.327 50 40 FDGB CC(=O)Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409405427 HBDUHVDCQKWKPU-KUDNYVPYSA-N 369.333 1.661 50 40 FDGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1ccc2c(c1)OCCO2 17696968 GJSHWPFTRYAHNR-UHFFFAOYSA-N 368.305 1.452 50 40 FDGB CN(NC(=O)C(=O)NCc1ccco1)C(=O)Nc1ccc(Cl)cc1 1573839 QNHIWFARUGHKQA-UHFFFAOYSA-N 350.762 1.744 50 40 FDGB O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=S)Nc1ccc(F)cc1 655720 QYLSWFBSANDFOD-UHFFFAOYSA-N 352.351 1.338 50 40 FDGB COc1cc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)ccc1O 408974302 YUJJGFAIWJFUAF-BTZNOAQDSA-N 367.405 1.867 50 40 FDGB N#C/C(=C\c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)N1CCCC1 409374172 YEADMDOFQIDLFK-GHRIWEEISA-N 369.421 1.454 50 40 FDGB CCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 14190434 FMIQVURJHTXOSA-UHFFFAOYSA-N 353.444 1.422 50 40 FDGB CCOC(=O)N/N=C/c1cc(Cl)c(OS(C)(=O)=O)c(OC)c1 4525975 GQXIAKXDTFQFMO-VGOFMYFVSA-N 350.780 1.767 50 40 FDGB O=C(O)COc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 5633957 UKKRRPCOSFZSRX-VCHYOVAHSA-N 357.322 1.751 50 40 FDGB O=C(CN1CCc2ccccc2C1)NNC(=O)[C@H]1COc2ccccc2O1 96435753 ALLWRVAZUDIVOB-GOSISDBHSA-N 367.405 1.032 50 40 FDGB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1C 3479821 JUVYGVFTPAGNQS-UHFFFAOYSA-N 357.366 1.452 50 40 FDGB Cc1ccc(C(=O)NNC(=O)Cc2csc(N3CCOCC3)n2)cc1 12973837 AISZLFBNNSCJJE-UHFFFAOYSA-N 360.439 1.292 50 40 FDGB N#CCC(=O)Nc1ccc(C(=O)NNC(=S)NC2CCCCC2)cc1 6561471 YHIAXJZYQJWFMN-UHFFFAOYSA-N 359.455 1.980 50 40 FDGB O=C(NN/C=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1O)c1ccncc1 33926271 XJPGPADPOYFNTH-UVTDQMKNSA-N 365.349 1.319 50 40 FDGB CC1(C)OC(=O)C([C@H](c2ccccc2)[C@H](C#N)C(N)=C(C#N)C#N)C(=O)O1 20405780 NRKBYWIPFTXZSX-UONOGXRCSA-N 364.361 1.622 50 40 FDGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1Cl 632745 XKZSAQBYNKEDBD-SECBINFHSA-N 351.149 1.588 50 40 FDGB COc1ccccc1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@H]21 101307156 KASBDDHYTZIXMM-ODMROAEVSA-N 374.871 1.535 50 40 FDGB COc1cc(C(=O)N/N=C\c2ccncc2)c([N+](=O)[O-])c(OC)c1OC 28632442 NDPNRLZYFMFBDL-NVMNQCDNSA-N 360.326 1.780 50 40 FDGB O=C(Cc1cn2ccsc2n1)NNC(=O)c1ccc(Br)o1 9319383 XXXOCJLPRYAXNC-UHFFFAOYSA-N 369.200 1.755 50 40 FDGB CCCCCOC[C@@H]1C[C@](C/C(C)=N/NC(N)=O)(C(=O)OCC)[C@@H](O)O1 16158041 TYAAAKIWNBMSMN-ZKNCYATFSA-N 373.450 1.284 50 40 FDGB CCN1CC=C2[C@H](C1)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)C2(C#N)C#N 19853153 QNFQWYOPIQOPBS-KKSFZXQISA-N 370.416 1.538 50 40 FDGB O=C(N/N=C\c1ccc2c(c1)OCO2)N/N=C/c1ccc2c(c1)OCO2 30734472 VMYVZWHXBKXIBH-CLLFQMGYSA-N 354.322 1.811 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1O 13921923 LGKQFGCLMNOTPL-YBFXNURJSA-N 357.366 1.888 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)O 5512801 ZXGBYWQLTMUZHK-GIJQJNRQSA-N 373.321 1.831 50 40 FDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2)cc1 6544597 PUYLBIORPBDIJG-LDADJPATSA-N 361.423 1.466 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 7784135 KAQPYARBVKKHCC-SRZZPIQSSA-N 373.796 1.893 50 40 FDGB C[C@]1(C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)CC1(Cl)Cl 5920198 KZJIQZQGMPGOJO-GFCCVEGCSA-N 357.153 1.951 50 40 FDGB O=C(NNC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccc2c(c1)OCO2 7898513 RXIZXQSQCBNINN-UHFFFAOYSA-N 362.725 1.872 50 40 FDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1 30549117 XNGCZNWJSARQHK-CQSZACIVSA-N 353.378 1.509 50 40 FDGB COc1cccc(/C=N\NC(=O)N/N=C\c2cccc(OC)c2O)c1O 73195547 XRKAJPMKOXHUPA-JZAWIKSFSA-N 358.354 1.782 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(F)c1)Cc1ccccc1 6584673 VTFNVRLQKZDUJX-YBFXNURJSA-N 363.414 1.738 50 40 FDGB N#Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccc(F)cc2)cc1 199422544 RMAWXBINXNSMQJ-UHFFFAOYSA-N 370.340 1.114 50 40 FDGB Cn1c(CC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])nc2ccccc21 17410983 NECKWIDFSKHGEF-UHFFFAOYSA-N 353.338 1.485 50 40 FDGB O=C(CSc1nnnn1C1CCCCC1)NNC(=O)c1ccco1 1340473 RCIZZUTZCOXQQI-UHFFFAOYSA-N 350.404 1.325 50 40 FDGB NNC(=O)[C@@H]1[C@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]12 1772491103 ACXXOPXBWJSGGQ-YNSJQIPVSA-N 354.454 1.464 50 40 FDGB O=C(O)[C@H](CI)C(O)(C(F)(F)F)C(F)(F)F 3083749 CYGXBVFUNOZNGA-REOHCLBHSA-N 365.995 1.978 50 40 FDGB CCCc1c(C(=O)N/N=C/c2ccc(C)cc2)nnn1-c1nonc1N 2450430 SAKYAIUKCNBWEO-GIJQJNRQSA-N 354.374 1.257 50 40 FDGB CN1C(=O)/C(=N\NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 18122452 LVODOXGMOIGVKW-MNDPQUGUSA-N 354.322 1.471 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(F)cc1 68933377 KQVDFKCJRVFXHA-LBPRGKRZSA-N 359.332 1.779 50 40 FDGB C=CCOc1cccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)c1 59461579 HYKZWDXXYRXUMX-HYARGMPZSA-N 352.394 1.803 50 40 FDGB O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc([N+](=O)[O-])cc1Cl 12547338 STDDPAJPZBJSNF-UHFFFAOYSA-N 363.761 1.925 50 40 FDGB Cc1c(Cl)cccc1N1C(=O)C[C@@H](NNC(=O)c2cccnc2)C1=O 3330594 PWNAOVURVZDBJT-CYBMUJFWSA-N 358.785 1.610 50 40 FDGB COCC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 7777054 HNYIONOBOHQUKO-UHFFFAOYSA-N 351.366 1.342 50 40 FDGB CS(=O)(=O)c1ccc([C@@H](O)[C@H](CF)NC(=O)C(Cl)Cl)cc1 11680217 AYIRNRDRBQJXIF-VHSXEESVSA-N 358.218 1.382 50 40 FDGB biogenic,in-man CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1cccc(F)c1 409134885 OQCZYGBUFSWFAO-VCHYOVAHSA-N 350.375 1.137 50 40 FDGB CC(C)C(=O)Nc1nc(CC(=O)NNC(=O)c2cccs2)cs1 44282667 GORSRIVDCJLPSQ-UHFFFAOYSA-N 352.441 1.803 50 40 FDGB Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1CCCl 10104429 KCLFTMUVLCZQSJ-UHFFFAOYSA-N 351.838 1.661 50 40 FDGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)OCCCO3)s1 63181874 XXQXGDYUWJFUDQ-UHFFFAOYSA-N 368.436 1.841 50 40 FDGB O=C(CCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccccc1 4523987 LUMWBZHPHRSDOJ-UHFFFAOYSA-N 370.365 1.452 50 40 FDGB CCCCC[C@@H](O)CCC(=O)NN[C@H]1CC(=O)N(c2ccccc2)C1=O 4811382 VIMOCJICXMZOBN-CVEARBPZSA-N 361.442 1.661 50 40 FDGB COc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1OC 33405037 YKCKXNCQNLSTNM-GRSHGNNSSA-N 358.350 1.931 50 40 FDGB CC(C)(C)OC(=O)NNC(=O)CNC(=O)c1ccc(Br)o1 7783977 QZQJPQHFZOTRFP-UHFFFAOYSA-N 362.180 1.328 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 58882090 JZQKBFHDTIBWHT-RGVLZGJSSA-N 369.377 1.636 50 40 FDGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 1404913 VGQFDACVALUMCR-MNOVXSKESA-N 374.846 1.080 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1 2132135 DAPZHCPULDGSNP-UHFFFAOYSA-N 361.423 1.723 50 40 FDGB O=C1NC(=S)N(C2CCCCC2)C(=O)/C1=C\NNC(=O)c1ccccc1 2304922 NSWHSMWSOLLMDJ-KAMYIIQDSA-N 372.450 1.381 50 40 FDGB O=C(CCl)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3885263 DGQBLXIZLVFBCI-UHFFFAOYSA-N 353.227 1.538 50 40 FDGB CCn1c(C)nc2cc(C(=O)NNC(=S)NC[C@H]3CCCO3)ccc21 7522679 ULOPZUNLCJJLCM-CYBMUJFWSA-N 361.471 1.653 50 40 FDGB Cc1cccc(C)c1OCC(=O)NNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 29757034 OZMGASDXRAIITR-HNNXBMFYSA-N 361.442 1.334 50 40 FDGB O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)Nc2ccc3ncccc3c2)C1 575425791 WODDRGVICRHYGO-YPMHNXCESA-N 355.872 1.926 50 40 FDGB COc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)c(Cl)c1 575420067 FFFCTSZEYNDNFC-MWLCHTKSSA-N 353.227 1.875 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C 104204308 VNKQFOFOSOCOID-REZBVGGZSA-N 357.410 1.618 50 40 FDGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)c([N+](=O)[O-])cc1OC 1090490 ZSJDNXQIAWQLNE-CXUHLZMHSA-N 353.331 1.215 50 40 FDGB COc1ccc(N([C@@H](C)C(=O)NN=C2CCCC2)S(C)(=O)=O)cc1 1446277 YPLDTZNDJJNWIE-LBPRGKRZSA-N 353.444 1.896 50 40 FDGB CC(=O)N[C@@](CCl)(OC(C)=O)C(=O)OCc1ccc([N+](=O)[O-])cc1 1558243 JSROGZNNQCTDQE-AWEZNQCLSA-N 358.734 1.272 50 40 FDGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCC)=C1C 4517138 LHHZZWBZTNGSDA-HXUWFJFHSA-N 363.373 1.323 50 40 FDGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1O 2208469 DEUDULKTZVABMC-IZZDOVSWSA-N 367.199 1.929 50 40 FDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CNC(=O)C1CCCCC1 18055758 QWAIIKFSMBLNDX-GFCCVEGCSA-N 365.405 1.437 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 8984652 VBALFUDMJQVCOY-UHFFFAOYSA-N 360.282 1.586 50 40 FDGB C/C(CC(=O)Nc1ccc(C(N)=O)cc1)=N\NC(=O)c1ccc(O)cc1O 4592262 JQCQWJSLZRDRPS-UFFVCSGVSA-N 370.365 1.331 50 40 FDGB CCN(CC)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 6651325 IFIYNSQMUXNDDW-UHFFFAOYSA-N 374.466 1.785 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1c(F)cccc1F 408615005 KRCUYIODCYPHOU-LLVKDONJSA-N 359.332 1.779 50 40 FDGB O=C(N[C@@H]1CCS(=O)(=O)C1)OCC(Br)Br 59568547 JHJULAMHFNTBMM-RXMQYKEDSA-N 365.043 1.016 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc3c(c2)OCO3)c1 59459661 BYIZKHJKOCKAHG-DJKKODMXSA-N 371.349 1.521 50 40 FDGB CCc1cc(C(=O)NNC(=O)COC(=O)c2ccccc2O)sc1C 9058144 PSGRORSJBHADMC-UHFFFAOYSA-N 362.407 1.943 50 40 FDGB Cc1cccn2c(=O)c(C=C(C#N)C#N)c(N3CCC(C(N)=O)CC3)nc12 5562565 IDCOBOKEZRDUQG-UHFFFAOYSA-N 362.393 1.135 50 40 FDGB O=C(CNC(=O)C1CCCCC1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 6648986 ABIUJFXFXFRLIL-UHFFFAOYSA-N 369.425 1.534 50 40 FDGB Cc1ccc(S(=O)(=O)CCC(=O)NNC(=O)Cc2ccccc2)cc1 7786209 VFYHZIBOAJWALM-UHFFFAOYSA-N 360.435 1.549 50 40 FDGB COc1ccc(-c2ccc(/C=N/NC(=O)c3nonc3N)o2)c([N+](=O)[O-])c1 2192931 OSYZYZWTQFZNOS-REZTVBANSA-N 372.297 1.593 50 40 FDGB O=C(NCc1ccccc1)NC1(C(=O)NNC(=O)[C@@H]2CCCO2)CCCC1 32260595 IAAOYLUFNYYIPQ-HNNXBMFYSA-N 374.441 1.125 50 40 FDGB Cn1cccc1/C=N/NC(=O)CCCCC(=O)N/N=C/c1cccn1C 2374541 APCZWQYQQVNJEU-IWGRKNQJSA-N 356.430 1.524 50 40 FDGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1ccc(Cl)cc1 2318339 DPWHIYGVFCQPSF-BCUFPXHISA-N 373.796 1.746 50 40 FDGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCC(=O)O 408819190 YNAPVUGTNKCAHE-NTEUORMPSA-N 362.382 1.608 50 40 FDGB CC1(C)CC(=NNC(=O)C(=O)Nc2ccccc2C(=O)O)CC(C)(C)N1 226819568 GUXNBHAAKFIMLD-UHFFFAOYSA-N 360.414 1.736 50 40 FDGB N#C[C@H](N=Nc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1cccnc1 245240000 NUIAEYWEFPXZJO-ZDUSSCGKSA-N 353.298 1.427 50 40 FDGB C/C(=N\NC(=O)CN1CCCCCC1=O)[C@H]1Cc2ccccc2C(=O)O1 98054227 SWPWQYWJMYSCGT-RBYWHNRPSA-N 357.410 1.663 50 40 FDGB O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cccnc1 2268645 URCHSXNHLRRXOB-DJKKODMXSA-N 361.199 1.724 50 40 FDGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 4976879 YWYCMJVJVXTPGX-FMIVXFBMSA-N 372.362 1.788 50 40 FDGB C=CCNS(=O)(=O)C[C@]1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2Br 6202591 QJELJJBDLLJESP-YRRQLQLVSA-N 350.278 1.861 50 40 FDGB CC[C@H]1CCc2sc(C(=O)NNC(=O)[C@H](NC(N)=O)C(C)C)cc2C1 27327222 NRNHVBMWJQMMHO-IINYFYTJSA-N 366.487 1.717 50 40 FDGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(N3C[C@H](C(=O)Cl)CC3=O)cc2)C1 100680499 QGDATRIUQFFBAS-NXEZZACHSA-N 369.204 1.923 50 40 FDGB O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1ccc(Br)o1 4651766 BSTGYVZGQCXXRZ-SFYZADRCSA-N 357.160 1.470 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1OC 8314489 YFFRWHMHBSQPHM-UHFFFAOYSA-N 358.350 1.897 50 40 FDGB Cc1ccc(C(=O)NNC(=O)Cc2csc(N3CCOCC3)n2)c(C)c1 17525233 FLEZSIYGOXRNHB-UHFFFAOYSA-N 374.466 1.600 50 40 FDGB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1ccc(O)cc1 35686018 OPJZRZLGKIBFJC-UHFFFAOYSA-N 351.340 1.232 50 40 FDGB CC(C)[C@]12NC(=O)[C@@](C#N)(C(C#N)=C(I)N1)C2(C)C 100248792 DFCFPXHEGWFHHM-CHWSQXEVSA-N 370.194 1.778 50 40 FDGB COc1ccc(/C=N\NC(=O)Cn2cnc3ccccc3c2=O)cc1OC 31854501 BLCPSKJZUBJVIH-FBHDLOMBSA-N 366.377 1.564 50 40 FDGB COc1cc(N(CCCl)CCCl)ccc1/C=N\Nc1nncn1N 4822316 HSUMOTRJCMUGTN-NVMNQCDNSA-N 372.260 1.731 50 40 FDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(=O)OC)cc1 7784138 AKNZMKUXOLDHSO-UDWIEESQSA-N 369.377 1.961 50 40 FDGB COc1ccc(OC)c(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1 23146805 RESRFFVSWNTZFC-UHFFFAOYSA-N 360.366 1.796 50 40 FDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)COc1ccccc1C#N 6543531 ITRACNCKNMRSBJ-GFCCVEGCSA-N 357.341 1.691 50 40 FDGB COC1=C[C@@]2([N+](=O)[O-])CN(CCBr)C[C@@]([N+](=O)[O-])(C1)C2 19831143 OHHBZSHUJCYYTJ-WDEREUQCSA-N 350.169 1.052 50 40 FDGB COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 408722166 PWPWHCPBEXNLBX-HMASQMOLSA-N 369.377 1.751 50 40 FDGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OC 408997418 OLPMCRKMYJAFRT-ZDLGFXPLSA-N 355.822 1.530 50 40 FDGB O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 4957249 UWMDUAUGAHRBCX-UHFFFAOYSA-N 355.759 1.872 50 40 FDGB O=C(NNC(=O)c1ccccc1)NNC(=O)C12CC3CC(CC(C3)C1)C2 103712668 PPZNAWNERSMEDY-UHFFFAOYSA-N 356.426 1.878 50 40 FDGB CN(C)c1ccc(C(=O)NNC(=O)CN2CCCc3ccccc32)cc1 12555463 BAHZGGCWEUXSJX-UHFFFAOYSA-N 352.438 1.966 50 40 FDGB N#C/C(=C/c1ccc(Br)cc1)C(=O)NCCN1CCOCC1 26687118 QLVIQZZTJKXRSP-KAMYIIQDSA-N 364.243 1.804 50 40 FDGB COCC1=C(C(=O)OC)[C@@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O1 4199064 GITRKZFVWHRCGH-AWEZNQCLSA-N 358.350 1.354 50 40 FDGB O=C(NNC(=O)c1ccc(=O)[nH]n1)c1ccc(OCc2ccccc2)cc1 9314642 KGNWFDQUHWPHTP-UHFFFAOYSA-N 364.361 1.424 50 40 FDGB COc1ccccc1CC(=O)NNC(=O)CN1CCCc2ccccc21 8029167 UMIULQVGBNEQQM-UHFFFAOYSA-N 353.422 1.838 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 3358808 VMEWXLDXUWKGMY-UHFFFAOYSA-N 353.378 1.897 50 40 FDGB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1c[nH]c2ccccc12 28662652 FARJRUIXJJUDBO-INIZCTEOSA-N 368.393 1.977 50 40 FDGB O=C(Cc1ccccc1)NNS(=O)(=O)c1ccc2c(c1)OCCCO2 6881404 FUDBRIVNBLHRGN-UHFFFAOYSA-N 362.407 1.400 50 40 FDGB Cc1cc(C(=O)NNC(=O)c2ccc(=O)[nH]n2)c(C)n1-c1ccc(F)cc1 7718676 DPLPKBPTOUBZPM-UHFFFAOYSA-N 369.356 1.391 50 40 FDGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)c3ccco3)C(=O)NC2=S)cc1 408755001 PKLIMQZGKLZAFD-KBSHCFNASA-N 370.390 1.368 50 40 FDGB O=C(NNC(=O)Nc1cccc(C(=O)O)c1)Nc1cccc(C(=O)O)c1 8311944 QCOLRWKODYJKST-UHFFFAOYSA-N 358.310 1.941 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)ccc2C)c1C 58911652 HQYILLYXOROCDB-WSDLNYQXSA-N 370.453 1.924 50 40 FDGB COC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccnc2)sc2c1CCC2 2368331 SZOZVYDVDOYIND-DJKKODMXSA-N 372.406 1.507 50 40 FDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C1 4427456 RTUXDMYLNAZMSS-RDJZCZTQSA-N 360.377 1.950 50 40 FDGB CCOC(=O)C(C#N)=C1S[C@@H](C(=O)OCC)[C@H](C(=O)OCC)S1 18194635 LNYTWDXCBWITNJ-NXEZZACHSA-N 359.425 1.628 50 40 FDGB CCCCN(C(=O)CCl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3252695 VYQISZJHCPPNSJ-UHFFFAOYSA-N 364.833 1.539 50 40 FDGB CCCc1noc(CCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)n1 28412309 GVFTWXDLKDIJLI-UHFFFAOYSA-N 355.398 1.826 50 40 FDGB CCc1sc(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1C 12922221 IZRFHGSTWWUOIN-UHFFFAOYSA-N 364.383 1.150 50 40 FDGB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)Cc1ccccc1 40160182 PNQCLBXYQKLUBT-LBPRGKRZSA-N 359.813 1.848 50 40 FDGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 32743378 PSXQQLLNNWGDHY-WCQYABFASA-N 360.863 1.600 50 40 FDGB N#C/C(C(=O)NNC(=O)c1ccccc1)=C(\O)c1ccc([N+](=O)[O-])cc1 102043039 LBGAOEAROXZASN-CCEZHUSRSA-N 352.306 1.849 50 40 FDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 101300748 PGJXODHLGUFXQC-JYVUULFMSA-N 362.835 1.666 50 40 FDGB O=C(CN1CCN(c2ccccc2F)CC1)NNC(=O)c1cccs1 12533190 NKRGTWARLZWMKY-UHFFFAOYSA-N 362.430 1.470 50 40 FDGB CC1(C)[C@H](O)[C@]2(Br)CC[C@]1(CC(N)=O)[C@H]2Br 109275447 ZKWIBPNRADGAEX-IFFSRLJSSA-N 355.070 1.940 50 40 FDGB CC(C)[C@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)N1CCCC1=O 58279224 CJGWLOYORZWIED-GFCCVEGCSA-N 371.235 1.185 50 40 FDGB N#CC1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C#N)[C@@H]1c1ccco1 2346690 HBGHHVGJNJENMJ-XIEDVDOYSA-N 362.370 1.047 50 40 FDGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)CSc1ccc(Cl)cc1 6779581 KWFJHJOHRYQCFU-ZANVPECISA-N 372.878 1.663 50 40 FDGB COc1cccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 7986773 YPKAEHMNSJSZGI-UHFFFAOYSA-N 352.350 1.017 50 40 FDGB O=C(COCC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1 2897261 DBMSAJGREJZRAG-VGENTYGXSA-N 374.347 1.582 50 40 FDGB CN(C)C(=O)COC1CN(S(=O)(=O)c2ccc(CCCCl)cc2)C1 79048770 LCCRPRGIWDWOHB-UHFFFAOYSA-N 374.890 1.336 50 40 FDGB O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc([N+](=O)[O-])cc1 841039 YOWLXNCGWYSMSX-UHFFFAOYSA-N 353.290 1.776 50 40 FDGB COC(=O)[C@H]1[C@@H]2C[C@H]([C@H](Br)[C@@H]2Br)[C@@H]1C(=O)O 100390307 CEKJTNRDLCMPHH-KVHXAGQOSA-N 356.010 1.653 50 40 FDGB O=C(COc1ccccc1Cl)NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 8346110 VFJLYSSWLKZSJH-QWRGUYRKSA-N 352.774 1.533 50 40 FDGB COc1cc(/C=N/NC(=O)COc2c(OC)cccc2OC)ccc1O 1288019 NMZZRGLLMWYDCE-VXLYETTFSA-N 360.366 1.947 50 40 FDGB O=C(NN[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 100571999 REWKXAHNUONPRU-AWEZNQCLSA-N 354.322 1.161 50 40 FDGB CCc1ccc(OCC(=O)NNC(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1 12752956 RROMDPBMVQQFEO-UHFFFAOYSA-N 373.409 1.821 50 40 FDGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccccc1C(=O)O 408978193 LBPYILHOFLQGIJ-DJKKODMXSA-N 368.328 1.328 50 40 FDGB O=C(CSc1nnc2ccccn12)NNC(=O)c1cccc([N+](=O)[O-])c1 9641561 JZANLHDGEVWABH-UHFFFAOYSA-N 372.366 1.191 50 40 FDGB Cc1nc(-c2nc(C)c(C(=O)NN(C)C)s2)sc1C(=O)NN(C)C 1628559 JAUBKOQOJIKZRX-UHFFFAOYSA-N 368.488 1.296 50 40 FDGB COc1ccccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 9366127 JTQPAWWMXMKZOP-UHFFFAOYSA-N 362.411 1.063 50 40 FDGB O=C(CC1CCCCC1)NCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 70019909 RTBZDODWRQYVKQ-UHFFFAOYSA-N 361.446 1.136 50 40 FDGB C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)N(C)CCC#N)cc2C1 72301188 AYXSLGFSIRZNHQ-JTQLQIEISA-N 356.473 1.198 50 40 FDGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccco1)S(C)(=O)=O 408783696 QGIPRYKCFZJBDT-LICLKQGHSA-N 365.411 1.513 50 40 FDGB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(/C=C(/C#N)C(N)=O)o2)c1 252508833 XVHSPLNCSRFDFL-JYRVWZFOSA-N 354.318 1.912 50 40 FDGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC 5511565 CNSFVMXXPXBYBU-RQZCQDPDSA-N 372.219 1.061 50 40 FDGB CC(C)[C@@H](Br)C(=O)NNC(=O)[C@@]1(C)C[C@@H]1Br 2323179 GJWQREDBFAOCSH-PJKMHFRUSA-N 356.058 1.727 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3C#N)n2)cc1 3207998 HKOUNCPNMKXQGI-CIAFOILYSA-N 374.408 1.428 50 40 FDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nncn1C 5118712 OQIKUOMETCCREY-UHFFFAOYSA-N 355.807 1.030 50 40 FDGB Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccc(O)cc1 226857284 BLWVVCNJUXUREC-UHFFFAOYSA-N 350.352 1.022 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H](C)n1cc(Br)cn1 252496509 PKDOLJMAPMPOIT-SDUWKLLGSA-N 357.187 1.538 50 40 FDGB COc1cccc(/C=N/NC(=O)CC(=O)N/N=C/c2cccc(OC)c2)c1 3028966 UQVWDMPKWFNEOC-ZIOPAAQOSA-N 368.393 1.694 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1cccc(F)c1 16248227 WFSZGBISGQKXHF-VXLYETTFSA-N 367.377 1.881 50 40 FDGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)c1 4132932 DJHFZJHAJYBFKP-LZYBPNLTSA-N 352.368 1.672 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 5188414 XEHVDWYRULRKDQ-UHFFFAOYSA-N 355.759 1.872 50 40 FDGB COc1cc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)ccc1O 5550042 XIBPBOMGNOFFTM-GJZGRUSLSA-N 361.785 1.819 50 40 FDGB O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccccc1Cl 13004322 XFFWIARSCSUMNJ-UHFFFAOYSA-N 370.796 1.970 50 40 FDGB COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1cccc([N+](=O)[O-])c1 5553089 DSPAHQLCAFKOGC-INIZCTEOSA-N 373.321 1.716 50 40 FDGB Cc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc(Br)cc31)C(C#N)=C(N)O2 705590 MXTKHYLZKFRLSW-HNNXBMFYSA-N 372.182 1.805 50 40 FDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccccc2)CC1 59434020 JJAAVQQUFLOPJO-RCCKNPSSSA-N 366.421 1.494 50 40 FDGB COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccc(C)cc1 13359337 NYSCAUSJFBCZMQ-UHFFFAOYSA-N 364.379 1.325 50 40 FDGB COc1ccc(C)cc1N1C[C@H](C(=O)NNC(=O)c2cccs2)CC1=O 14245973 UXKSZXUOWLPMCP-GFCCVEGCSA-N 373.434 1.879 50 40 FDGB O=C(O)COc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1 409146714 SSJPVNGETMSARM-DJKKODMXSA-N 356.334 1.572 50 40 FDGB CO[C@@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](SC#N)[C@@H]1O 5049481 WBOSEENYEKDFPW-CIQGVGRVSA-N 354.340 1.067 50 40 FDGB O=C(NNC(=O)[C@@H]1CCCO1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 32258253 RVXOGIDXICETMH-IJDCCNJMSA-N 371.437 1.265 50 40 FDGB C=CCNS(=O)(=O)C[C@]1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2Br 6201630 QJELJJBDLLJESP-RSLMWUCJSA-N 350.278 1.861 50 40 FDGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccccn3)CC2=O)c1 24839579 IIHZAKKVPAQGAH-AWEZNQCLSA-N 352.394 1.458 50 40 FDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 101306327 VDNVVYDQUMLAKQ-LYQCPJKTSA-N 362.835 1.666 50 40 FDGB CN1CCC(=NNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)CC1 58175159 KPOQCYYOOMARSY-UHFFFAOYSA-N 372.878 1.304 50 40 FDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccccc1 5100818 BKLQEULQXIGGTA-VCHYOVAHSA-N 354.374 1.510 50 40 FDGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1 4392911 VGQFDACVALUMCR-GHMZBOCLSA-N 374.846 1.080 50 40 FDGB N#C/C(=C/c1c[nH]nc1-c1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 4980707 VBAFMJVCBNIWTM-JEMSNHSXSA-N 356.407 1.287 50 40 FDGB O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 669839 STJURMRUBVXPQO-UHFFFAOYSA-N 355.759 1.872 50 40 FDGB O=C(NNC(=O)c1ccc(F)cc1F)c1csc(N2CCOCC2)n1 14019912 IADRDDJVGDEDQG-UHFFFAOYSA-N 368.365 1.333 50 40 FDGB COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(C(=O)OC)cc2)C1=O 9306383 ITYMZKIQPHMGFZ-WJDWOHSUSA-N 369.377 1.624 50 40 FDGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCC)=C1C 4517139 LHHZZWBZTNGSDA-FQEVSTJZSA-N 363.373 1.323 50 40 FDGB Cn1cc(Cl)cc1C(=O)NNC(=O)CCNC(=O)c1ccsc1 12394723 FWFFXKBGKXNYBK-UHFFFAOYSA-N 354.819 1.321 50 40 FDGB CCn1nc(C(=O)NNC(=O)[C@@H]2CC2(Cl)Cl)c2ccccc2c1=O 14197402 QSYATWBAKZDBKT-JTQLQIEISA-N 369.208 1.371 50 40 FDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(Br)o1 14171061 LLXJQMPDBJHBKH-LLVKDONJSA-N 367.155 1.643 50 40 FDGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(OC)c2O)s1 408732713 XTWFYZVMIGXORH-LZYBPNLTSA-N 363.399 1.294 50 40 FDGB Cc1cc(C(=O)NC(=S)NNC(=O)c2ccncc2)ccc1[N+](=O)[O-] 32118926 GOJDOEWVZHYLNX-UHFFFAOYSA-N 359.367 1.248 50 40 FDGB O=C(CN1CCOCC1)N/N=C/C(Br)=C\c1ccccc1 23211592 VFFYWMOHRYRUJC-JMRZXEDWSA-N 352.232 1.857 50 40 FDGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3Cl)C2=O)cc1 100118498 YLPMXKCWTKWKHK-HNNXBMFYSA-N 373.796 1.915 50 40 FDGB O=C(NN/C=C1\C(=O)N(c2ccccc2)C(=S)N=C1O)c1ccncc1 34237545 JGZSOHFKGDGCLZ-RAXLEYEMSA-N 367.390 1.488 50 40 FDGB O=C(CSc1nc2ccccc2s1)N/N=C\c1cc(=O)[nH]c(O)n1 31841478 KXTGCWPFIYSIQD-UUASQNMZSA-N 361.408 1.328 50 40 FDGB CCOC(=O)[C@@H](C(C)=O)[C@H](c1ccccc1)[C@@H](C#N)C(N)=C(C#N)C#N 78549511 KJAJSAQBIXWDHV-IXDOHACOSA-N 350.378 1.938 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)N(Cc2ccc(F)cc2)C(=O)N=C1O 5025313 DIUJHKICIBTMSL-UKTHLTGXSA-N 362.361 1.939 50 40 FDGB O=C(CCNS(=O)(=O)c1ccccc1F)NNc1ccc(F)cc1 45971244 HNSGIEBCSYEIDQ-UHFFFAOYSA-N 355.366 1.777 50 40 FDGB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 7978057 XNFGEGNJKKURSR-XQUUCRAGSA-N 364.490 1.823 50 40 FDGB O=C(COC(=O)c1cc2c(s1)CCC2)NNC(=O)c1ccccc1F 5308366 SLKJNJSEEWHXDL-UHFFFAOYSA-N 362.382 1.994 50 40 FDGB COc1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)NC(C)C)c(OC)c1 4697868 DYQMWLVWOCEOBE-RGVLZGJSSA-N 364.402 1.049 50 40 FDGB CCCCCCN1C(=O)N=C(O)/C(=C/NNC(=O)c2ccncc2)C1=O 6782983 FCJXEPVAGOZNJC-QBFSEMIESA-N 359.386 1.699 50 40 FDGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CC1(C)OCCO1 408722996 KPBRPRNFRNQTRT-CXUHLZMHSA-N 353.331 1.215 50 40 FDGB COc1ccc(/C=N\NC(=O)CC(=O)N/N=C\c2ccc(OC)cc2)cc1 31723641 PSLFJXMSWPLIPH-FDYZEBBJSA-N 368.393 1.694 50 40 FDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3C)CC2=O)cc1 46577611 FRZUUSAILBDPQC-CQSZACIVSA-N 367.405 1.818 50 40 FDGB NC(=O)N/N=C/c1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 3024034 LFPYAGKUBVMKGJ-CAOOACKPSA-N 373.281 1.724 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cn2)cc(OC)c1OC 2290611 NLSACRUGYKBMPR-QGMBQPNBSA-N 360.326 1.780 50 40 FDGB COc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 1077696 GJFUVWMKTWFMRD-OAHLLOKOSA-N 373.796 1.915 50 40 FDGB COc1cc(/C=N/NC(=O)CC#N)ccc1OCc1ccc(C(=O)O)o1 9324399 NRNOPDMNTDRKTE-DJKKODMXSA-N 357.322 1.929 50 40 FDGB Cc1ccc(CN2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101302071 PUWCSLRHQXVAAV-BLCHQYFCSA-N 372.899 1.831 50 40 FDGB Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2ccoc2C)c1C 13078741 PPRNBHQALRFTRM-UHFFFAOYSA-N 352.368 1.526 50 40 FDGB C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)CS2 24451262 VWNDHBQEGYAPOO-IAQYHMDHSA-N 353.831 1.555 50 40 FDGB COc1cccc(OC)c1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)O 94992732 LRKBMDGVBBHBBB-VXLYETTFSA-N 371.349 1.491 50 40 FDGB CCCn1c(SCC(=O)NNC(=O)C(C)C)nnc1-c1cccnc1 4860997 HBDBWXXMOHMXQP-UHFFFAOYSA-N 362.459 1.646 50 40 FDGB COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1C 12680826 DXWGQXAWTHVDRV-UHFFFAOYSA-N 359.338 1.222 50 40 FDGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccccn1 100522791 LPLKLFSFFKIHDD-CIAFOILYSA-N 354.366 1.987 50 40 FDGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)C(=O)N2CCCCC2)cc1 4616732 CPTIUCDAOXIJCX-UHFFFAOYSA-N 361.442 1.523 50 40 FDGB O=C(Cc1cn2ccsc2n1)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 9335331 MRQLZZXAKSETRC-UHFFFAOYSA-N 370.350 1.319 50 40 FDGB COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21 5014778 PKBPGUMSJWJVMA-GXDHUFHOSA-N 366.421 1.589 50 40 FDGB O=C1[C@@H]2[C@H]3C[C@@H]([C@@H](O)[C@H]3Br)[C@H]2C(=O)N1Cc1ccccc1 103016468 ODNUEARIKRPROV-UCKQBZRPSA-N 350.212 1.562 50 40 FDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)c1 4699062 GHTMTHSXQUGCBA-VXLYETTFSA-N 373.365 1.507 50 40 FDGB Cc1occc1-c1nnc(SCC(=O)NNC(=O)c2ccccc2)n1C 4947662 AXGJCQBFKRCIQE-UHFFFAOYSA-N 371.422 1.937 50 40 FDGB COCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 6441108 NACXDLVQKALPPL-ZDUSSCGKSA-N 363.414 1.660 50 40 FDGB N#CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 12576297 HDDMPBMWJUZBQY-UHFFFAOYSA-N 366.333 1.342 50 40 FDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccs3)CC2=O)cc1 28406672 HIWMQRCELAMLMA-NSHDSACASA-N 359.407 1.571 50 40 FDGB Cc1ccccc1C(=O)NNC(=O)Cc1nn(C)c(=O)c2ccccc12 7313199 WYUXTTMIXZSVJW-UHFFFAOYSA-N 350.378 1.246 50 40 FDGB O=C(Cc1n[nH]c(=O)c2ccccc12)N/N=C/c1ccc2c(c1)OCO2 5909059 IZYWDVSXYZZAIW-DJKKODMXSA-N 350.334 1.345 50 40 FDGB COc1cccc(-n2c(CC(=O)NN)cs/c2=N/Cc2ccco2)c1 100369341 BODOHZNIGJRCHW-HTXNQAPBSA-N 358.423 1.774 50 40 FDGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C)C[C@@H]32)cc1 1073819 XSQRGXOEYAVZHN-WMZOPIPTSA-N 373.416 1.828 50 40 FDGB Cc1nc(C)c(CCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)[nH]1 57791562 CCDSAMXCZNTZSE-UHFFFAOYSA-N 372.469 1.683 50 40 FDGB COc1ccc(C(=O)NNC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 12851385 JTDVNWHLNJANOY-HNNXBMFYSA-N 371.418 1.959 50 40 FDGB COc1ccccc1N1/C(=N/C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@H]21 5341703 KASBDDHYTZIXMM-VTVZJOAKSA-N 374.871 1.535 50 40 FDGB O=C(CCC(=O)NNC[C@H]1C[C@H]2C=C[C@H]1C2)NNC[C@H]1C[C@H]2C=C[C@H]1C2 255187829 HALFTDQUGCSREB-UXJCHEOYSA-N 358.486 1.433 50 40 FDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1csc(-c2cccs2)n1 52399259 UAWHKANAYVIEJL-QMMMGPOBSA-N 371.465 1.067 50 40 FDGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2cccnc2)c(C)c1 6607439 IXDNUYITYCIEAS-VXLYETTFSA-N 360.439 1.435 50 40 FDGB COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O1 1799633 AYFTVMLPURCKGA-AWEZNQCLSA-N 373.321 1.393 50 40 FDGB O=C(NN/C=C1\C(=O)N(c2ccccc2F)C(=O)N=C1O)c1ccncc1 8918896 NFLUMIGCZMKUGJ-LUAWRHEFSA-N 369.312 1.462 50 40 FDGB O=C(Cn1cc([N+](=O)[O-])cn1)N/N=C/c1cc(Br)ccc1O 5163455 AEDGBZRFIPCLIY-LNKIKWGQSA-N 368.147 1.410 50 40 FDGB COc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2ccccc2)cc1OC 4577089 AIRBTVOEVOPZEG-CYBMUJFWSA-N 358.394 1.861 50 40 FDGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccncc2)CC1 5586211 CSDCZOSYFHPLHE-DEDYPNTBSA-N 368.397 1.506 50 40 FDGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)C1CCCCC1 408617328 ARJFBTUCARZYDS-UHFFFAOYSA-N 355.460 1.317 50 40 FDGB CC1(C)S[C@H]2[C@@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)CN2[C@@H]1N=C=O 34864999 NWEOZPHIRLICBG-QEJZJMRPSA-N 362.411 1.451 50 40 FDGB COCC1=C(C(=O)OC)[C@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O1 4199063 GITRKZFVWHRCGH-CQSZACIVSA-N 358.350 1.354 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 104844708 ZIFAVKDDVUZSCN-KIWPFMIBSA-N 364.789 1.308 50 40 FDGB COC(=O)CC1=C(C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O1 3295175 YFSOXDSATNUXEH-CQSZACIVSA-N 373.321 1.393 50 40 FDGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)NCC(F)(F)F)cc1 3421534 YEKVIWAMUNTNMZ-KPKJPENVSA-N 355.316 1.881 50 40 FDGB O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)c1ccc2c(c1)OCO2 7985844 VFRIUPXVOMHYSL-CQSZACIVSA-N 354.318 1.478 50 40 FDGB COc1cc(CN(C)[C@@H](C)C(=O)NNC(C)=O)c(SC)cc1OC 95468877 UATSXYXIYZQZIR-JTQLQIEISA-N 355.460 1.413 50 40 FDGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c([N+](=O)[O-])c1 18322364 DQSLYNBTXFLLOU-LVZFUZTISA-N 368.349 1.779 50 40 FDGB Cc1cccc(/C=N\NC(=O)CCCC(=O)N/N=C/c2cccc(C)n2)n1 4962746 JODVPTXOVRHGSE-AYRZQKSOSA-N 366.425 1.864 50 40 FDGB N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 6896215 SJEYOKMYCIRMMV-PTNGSMBKSA-N 372.381 1.197 50 40 FDGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 42872241 UEUMARWCNKYIOD-ZZTKBFGJSA-N 369.487 1.110 50 40 FDGB CCCn1nc(C(=O)NNC(=O)c2c(C)noc2C)c2ccccc2c1=O 12700357 JHMLMENVRBGDLP-UHFFFAOYSA-N 369.381 1.486 50 40 FDGB Cc1cc2nc(C)c(CCC(=O)NNC(=O)c3cccnc3)c(C)n2n1 12871102 BXZHSGGTSRNVGQ-UHFFFAOYSA-N 352.398 1.443 50 40 FDGB O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccco1 33376092 UQERGYQPKILGOI-UNOMPAQXSA-N 357.366 1.281 50 40 FDGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)C2(c3ccccc3)CCC2)cc1 27595193 WGMGCJSTRVHYGX-UHFFFAOYSA-N 372.446 1.973 50 40 FDGB COC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(O)cc1 2448966 VLHYQBSKPPYAOU-UFBFGSQYSA-N 357.391 1.532 50 40 FDGB O=C(N/N=C/c1cc(Br)ccc1OCCO)c1cccnc1 408720038 WFDFUTSUCOPWBM-VCHYOVAHSA-N 364.199 1.979 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)c2n[nH]c(=O)c3ccccc23)cc1 6509283 RYLJBJXYODHRDQ-VXLYETTFSA-N 350.334 1.474 50 40 FDGB O=C(NNC(=S)NCc1ccc2c(c1)OCO2)c1n[nH]c2ccccc12 15913291 IPVSMFDJMHTRBW-UHFFFAOYSA-N 369.406 1.601 50 40 FDGB Cc1cc(C)cc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1 225655426 TVWVBTKSFTUENS-NHMCJKAESA-N 372.421 1.741 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 58911619 OEYONWBCVUSFJR-CIAFOILYSA-N 372.425 1.315 50 40 FDGB O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885149 GJVLZSOVRFKCJT-RQZCQDPDSA-N 356.294 1.382 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1cccc(Cl)c1 20209439 GVHMLKKFPOGPAN-VCHYOVAHSA-N 366.830 1.651 50 40 FDGB CN1C(=O)C(=Cc2ccc(OCCBr)cc2)C(=O)N(C)C1=O 4557613 UJIUTMKCLCTLGA-UHFFFAOYSA-N 367.199 1.894 50 40 FDGB COc1ccccc1/C=N/NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 409118439 ZUORQEIHURGRKT-LDADJPATSA-N 361.423 1.855 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1cc(-c2ccc3c(c2)OCO3)[nH]n1 252509595 YQYCATZTOWNDFD-FBCYGCLPSA-N 370.344 1.750 50 40 FDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccco1 3043725 OKNNNPVULNBIPM-QGMBQPNBSA-N 351.326 1.412 50 40 FDGB O=C(Cl)[C@@H]1CC(=O)N(c2cccc(N3C[C@H](C(=O)Cl)CC3=O)c2)C1 100680484 FGDZIXPAUAANFF-NXEZZACHSA-N 369.204 1.923 50 40 FDGB N#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 3099938 ZOWVQEWXCNISPH-SECBINFHSA-N 350.165 1.621 50 40 FDGB N#CC1=C(N)OC(c2ccccc2)=C(n2nnnc2N)[C@H]1c1cccnc1 4455719 LCHZHHQOIKVJIF-AWEZNQCLSA-N 358.365 1.484 50 40 FDGB O=C(Cc1cccs1)N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 71335782 NWSKWHVEWFMHTE-AUWJEWJLSA-N 350.312 1.963 50 40 FDGB CC(C)NC(=O)NCc1ccc(C(=O)NNC(=O)c2ccccc2)cc1 8350208 IJVOQFDVXKNNJJ-UHFFFAOYSA-N 354.410 1.969 50 40 FDGB CN1C(=O)[C@@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cc(Cl)ccc21 79490867 SJFUCRDADSXXPH-GOSISDBHSA-N 370.796 1.441 50 40 FDGB CCS(=O)(=O)[C@H](I)[C@@H](O)c1ccc(OC)cc1 96519302 IATDOIZUWSSELG-QWRGUYRKSA-N 370.208 1.924 50 40 FDGB Cc1ccc(NCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)c1 58079347 PCMRUPHZWCKSSV-KRWDZBQOSA-N 355.394 1.703 50 40 FDGB C/C(=N/NC(=O)C[C@@H]1NC(Cc2ccccc2)=NNC1=O)c1ccco1 13303010 HIQZMMIDORSCAT-GQFJFNLSSA-N 353.382 1.154 50 40 FDGB Cc1cc(C)nc(NNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)n1 32913651 OCVHBLFYYMHDMT-CQSZACIVSA-N 355.398 1.547 50 40 FDGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2O)s1 1958285 YDWWNALVCWIDOH-LZYBPNLTSA-N 363.399 1.381 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 3553363 BHKLZZHMGDVGHW-UHFFFAOYSA-N 364.785 1.954 50 40 FDGB O=C(NCCc1ccc2c(c1)OCO2)NNC(=O)[C@@H]1Cc2ccccc2O1 58300488 PGNMZJPGFLDEJV-KRWDZBQOSA-N 369.377 1.292 50 40 FDGB CN(C)c1cc2[nH]c(O)nc2cc1NC(=O)CI 408529833 ICSHKZDCZBVLSJ-UHFFFAOYSA-N 360.155 1.708 50 40 FDGB COc1ccc(C(=O)N2C[C@@H](C(=O)NN)Oc3ccccc32)cc1OC 225330696 DVXHKVYEIGKVKI-INIZCTEOSA-N 357.366 1.102 50 40 FDGB COc1cc(C(=O)NCC(=O)N/N=C/c2ccco2)cc(OC)c1OC 2278478 QZJSWDIBYATYLI-DJKKODMXSA-N 361.354 1.186 50 40 FDGB O=C(CSc1ncnc2nc[nH]c12)N/N=C/c1cccc([N+](=O)[O-])c1 16399742 SRBWVTKWWOCZAR-PTXOJBNSSA-N 357.355 1.504 50 40 FDGB Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(C)o1 6601995 JYUDJFKIMDOKTH-UHFFFAOYSA-N 371.802 1.272 50 40 FDGB CC(=O)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 23109381 ZNYNDJNVORBYLP-UHFFFAOYSA-N 354.193 1.984 50 40 FDGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(N)=O 1086215 SSNWRQJHNQELEH-INIZCTEOSA-N 369.381 1.199 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OC)c2O)cc1 2055059 UCQJIGVITLYPIS-RGVLZGJSSA-N 357.366 1.176 50 40 FDGB COc1ccc(CCNCCC(=O)N/N=C/c2cccnc2)cc1OC 3466698 GFMAYLMJKJBDIO-HYARGMPZSA-N 356.426 1.771 50 40 FDGB CN(C)N(C(=O)c1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 8939301 UBOSDZKYWZDWBT-NSHDSACASA-N 366.361 1.691 50 40 FDGB CCc1cc2c(=O)n(CC(=O)N/N=C\c3ccc(O)cc3)cnc2s1 101088161 NXFBMUZROBHUJK-UWVJOHFNSA-N 356.407 1.876 50 40 FDGB COCCn1c(SCC(=O)NNC(=O)c2ccco2)nnc1C(C)C 4879393 CAUWZVKUXFGJGN-UHFFFAOYSA-N 367.431 1.194 50 40 FDGB Cc1cc(C)nc(N2CCC(C(=O)NNC(=O)Cc3ccccc3)CC2)n1 4966074 AHPPTNITFARZSH-UHFFFAOYSA-N 367.453 1.700 50 40 FDGB CCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccncc2)c1 6593514 VLTTVGYTNDRUPN-UHFFFAOYSA-N 358.423 1.820 50 40 FDGB O=C(CN1CCN(c2cccc(Cl)c2)CC1)NNC(=O)c1ccccc1 35361574 KCOHKPCQXFWVDU-UHFFFAOYSA-N 372.856 1.923 50 40 FDGB Cc1cc2c(c(=O)n1CCN(C)C)[C@@H](c1ccncc1)C(C#N)=C(N)O2 2247117 LGYWDFAAGOOUFO-INIZCTEOSA-N 351.410 1.332 50 40 FDGB COc1ccc(Cl)cc1C(=O)NNC(=S)NC(=O)c1cccnc1 2377602 UMCOEFJGZCSJQH-UHFFFAOYSA-N 364.814 1.693 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 2304648 AHUWCLCAPUWNOD-XFXZXTDPSA-N 364.402 1.268 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)c2ccc([S@@](C)=O)cc2)cc1C 70038980 RRWKZWOINIEWIL-VWLOTQADSA-N 360.435 1.881 50 40 FDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccoc2)c1-c1ccccc1 3663480 YEUASDOIKVTNMN-QGMBQPNBSA-N 364.325 1.256 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 6647467 CPQFZNPYGLVCJM-LBPRGKRZSA-N 362.357 1.828 50 40 FDGB O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1c[nH]c2ccccc12 4086375 SCGMGXZWEUBGDV-UFFVCSGVSA-N 365.349 1.956 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 578908 CUDBISUOHSJWOG-UONOGXRCSA-N 350.371 1.112 50 40 FDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 101300745 PGJXODHLGUFXQC-LYQCPJKTSA-N 362.835 1.666 50 40 FDGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN3CCOCC3)o2)cc1 59246921 HXMBQUBQKMNQGU-UDWIEESQSA-N 371.393 1.516 50 40 FDGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cccs1 8642903 UVRVWICKOPOKMV-QGMBQPNBSA-N 367.394 1.880 50 40 FDGB COc1cc(Br)c(O)c(/C=N/NC(=O)CC2(C)OCCO2)c1 408592116 XRKZYVBVHGAAMF-LZYBPNLTSA-N 373.203 1.767 50 40 FDGB Cc1cc(C)cc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 5539509 VXKLNVYBBDSFPJ-UHFFFAOYSA-N 373.365 1.817 50 40 FDGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(O)c([N+](=O)[O-])c1 409361315 GXKMSZNDJHVUKE-ZDLGFXPLSA-N 357.322 1.764 50 40 FDGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc3c(c2)n(C)c(=O)n3C)c1 6234753 XPTNOFSSXJUNCR-RGVLZGJSSA-N 368.393 1.658 50 40 FDGB O=C(NCc1ccco1)C(=O)N/N=C/c1cccc(Br)c1 8219828 PWRQSZRJSWYBCU-CAOOACKPSA-N 350.172 1.809 50 40 FDGB CCCCCCN1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2)C1=O 4859795 LFLLVONQUQEFHM-WYMLVPIESA-N 358.398 1.464 50 40 FDGB O=C(Cc1cn2ccsc2n1)NNC(=O)Cn1cnc2ccccc21 8719825 XFASXQDFDULEDW-UHFFFAOYSA-N 354.395 1.136 50 40 FDGB Cc1c(C(=O)NNS(=O)(=O)c2ccc(C(N)=O)cc2)oc2ccccc12 12881017 UOIQISFPOHDUEI-UHFFFAOYSA-N 373.390 1.463 50 40 FDGB CN(C)c1cccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 3404673 SYDCNZLJHPNHLJ-UHFFFAOYSA-N 365.393 1.074 50 40 FDGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CC=CCC2)cc1 15512871 DZXLVOAXVOZZEH-CQSZACIVSA-N 365.455 1.119 50 40 FDGB O=C(NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc2c(c1)OCCO2 7948705 SNPLSNUPQAGOBN-UHFFFAOYSA-N 364.361 1.923 50 40 FDGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccco2)c2ccccc21 8691095 GACIIQBOUQMUER-PGMHBOJBSA-N 352.350 1.063 50 40 FDGB CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc([N+](=O)[O-])c1O 3077091 XPCSXXHULIXLOL-ZNBBLSJYSA-N 359.338 1.883 50 40 FDGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1OC 15145224 WNEJSZQCVCVYKL-KEBDBYFISA-N 357.366 1.332 50 40 FDGB Nc1nnc(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 1789273 HAZROEBHZANSQG-CAOOACKPSA-N 372.366 1.981 50 40 FDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 58884867 DAGQCLBEIXLCSN-YBFXNURJSA-N 355.350 1.872 50 40 FDGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@H]1CCC(=O)N1 70695196 KDJVAGXGWDDAOB-OAHLLOKOSA-N 353.378 1.158 50 40 FDGB C[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 6836100 CKEYHWMDYBKNFB-ZDUSSCGKSA-N 364.405 1.676 50 40 FDGB O=C(CN1CCOCC1)N/N=C\c1ccc(Br)c([N+](=O)[O-])c1 409209310 IWCGAMLFELNWHW-NVNXTCNLSA-N 371.191 1.140 50 40 FDGB C[C@H](O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 409000388 XZUIJQABUWTEKO-QDBSGRMGSA-N 359.357 1.674 50 40 FDGB CCCCO[C@@H](C)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 48356662 PXTZZJMAKLMVAN-LBPRGKRZSA-N 370.475 1.254 50 40 FDGB COc1ccc(-n2c(SCC(=O)NN)nc3ccccc3c2=O)cc1 36724758 FSVDIMNLORYTIR-UHFFFAOYSA-N 356.407 1.476 50 40 FDGB COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c(OC)c1 3385802 HJFRABVKNDBNQU-UHFFFAOYSA-N 358.350 1.322 50 40 FDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 409255535 LVBMJJHCBNQQOK-MQMKENTISA-N 374.441 1.053 50 40 FDGB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NN 408679202 VJAATUNPGIEYHY-UHFFFAOYSA-N 369.830 1.818 50 40 FDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 409254526 DRPPHJMAFFJCCO-PVGUKEHMSA-N 374.441 1.053 50 40 FDGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3C)n2)ccc1O 408986210 OOKWQIXMRZQVTF-VXLYETTFSA-N 366.381 1.513 50 40 FDGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COC(=O)CCN1CCOC1=O)C2 102120858 KWEBTGAQMBUVRN-AYYHPPGTSA-N 365.430 1.690 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2cc(Br)cn2C)c(O)c1 24233087 SXULNCJPSKJQIL-UHFFFAOYSA-N 368.187 1.577 50 40 FDGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1OC 59419074 MIYDCBBAXGOMHE-KEBDBYFISA-N 357.366 1.796 50 40 FDGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@@H]1C[C@@H]2CC[C@H]1C2 101929943 JNWDNRBBPAVRMA-TYNCELHUSA-N 371.466 1.080 50 40 FDGB O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)c1ccc(O)nc1 10600215 PTGVEZLQVZFCNW-UHFFFAOYSA-N 354.391 1.914 50 40 FDGB COC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(C)cc1 2309976 OAGKVOWNNWQVPT-KBPBESRZSA-N 359.407 1.792 50 40 FDGB CNc1snc(C)c1C(=O)OCC(=O)NNC(=O)c1cccs1 8748101 QIUDIGZLIKXHOZ-UHFFFAOYSA-N 354.413 1.173 50 40 FDGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2cccnc2)c(C)c(C#N)c1=O 409052065 GELWIVOEFZDNOP-FMCGGJTJSA-N 372.388 1.880 50 40 FDGB NC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 33624570 PKCXURHVGHDWMO-GRSHGNNSSA-N 356.338 1.152 50 40 FDGB COC(=O)Oc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1OC 408866004 FFVHYVWRRJEGDZ-LICLKQGHSA-N 352.343 1.444 50 40 FDGB COCCNC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 7062251 LOFBULOLSABISV-UHFFFAOYSA-N 359.451 1.874 50 40 FDGB Cc1cc2c(c(=O)o1)[C@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)O2 803894 JYGXKWCCBLHKGD-OAHLLOKOSA-N 353.334 1.031 50 40 FDGB COc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccccc3F)C2=O)cc1 3375059 KPPXZGVYJZVSES-CQSZACIVSA-N 357.341 1.401 50 40 FDGB COc1cc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc(OC)c1OC 18212710 AZHWFOMIENSVJG-CAPFRKAQSA-N 369.377 1.823 50 40 FDGB CC1(C)OC(=O)C([C@@H](c2ccccc2)[C@@H](C#N)C(N)=C(C#N)C#N)C(=O)O1 20405779 NRKBYWIPFTXZSX-KGLIPLIRSA-N 364.361 1.622 50 40 FDGB CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 6309160 QOBIBLKKBDXDHJ-UHFFFAOYSA-N 350.444 1.717 50 40 FDGB Cc1cc(C(=O)N/N=C2/C(=O)N(C)c3ccc(Br)cc32)[nH]n1 18193976 CDYJYCAMUMWDDO-LDADJPATSA-N 362.187 1.591 50 40 FDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 1880420 ZFXPQMAUZBYEBP-MHWRWJLKSA-N 362.367 1.023 50 40 FDGB COc1cc(OC)cc(C(=O)NC(=S)NNC(=O)c2cccnc2)c1 2430196 FUCGURYZJOHTLK-UHFFFAOYSA-N 360.395 1.048 50 40 FDGB CS(=O)(=O)N1CCc2cc(C(=O)NNC(=O)C3CCCCC3)ccc21 8192264 YIHBVLIABPXDAS-UHFFFAOYSA-N 365.455 1.350 50 40 FDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1 9422878 VHEPAUMSZQSNDT-FBKCMUNRSA-N 371.418 1.378 50 40 FDGB COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1O[C@@H](C)C(=O)O 409021136 YGHCRHOLTBOLKW-CJAAZZPWSA-N 360.366 1.313 50 40 FDGB CCOC(=O)C(=O)Nc1sc(C)c(C)c1/C(O)=C(\C#N)C(=O)OC 37891078 IFUZANGYNKLQGZ-LUAWRHEFSA-N 352.368 1.832 50 40 FDGB O=C(O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2ccccc2)c1 58707583 JJHNYOMDLBNDFQ-UHFFFAOYSA-N 354.771 1.662 50 40 FDGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccn3)c(C)c(C#N)c2=O)cc1 409051463 CSCRXBCKRFYYJN-FSJBWODESA-N 372.388 1.880 50 40 FDGB O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1cccs1 32119171 RSMWIDLRWCEIFM-UHFFFAOYSA-N 350.381 1.606 50 40 FDGB COc1ccc(C(=O)NNC(=O)CN2CCCc3ccccc32)c(O)c1 17402077 QCCJNYMJOUOAOE-UHFFFAOYSA-N 355.394 1.615 50 40 FDGB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccco3)C2=O)c1 408531443 GWHCSUNVQAXIMV-BEAUZRKQSA-N 354.322 1.203 50 40 FDGB O=S1(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)[C@@H](Cl)C1 575423880 SGIFAZQAAXITST-KBPBESRZSA-N 359.856 1.523 50 40 FDGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc2c1OCO2 100241501 LTQXRUKEYPHEQW-CQSZACIVSA-N 370.317 1.088 50 40 FDGB CC1(C)N(N)C=C(O)c2c3c(nn21)OC(N)=C(C#N)[C@H]3c1cccnc1 100698662 XSXFCVUJVWDGTH-GFCCVEGCSA-N 351.370 1.235 50 40 FDGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 32743381 PSXQQLLNNWGDHY-AAEUAGOBSA-N 360.863 1.600 50 40 FDGB COc1cccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 826699 OPRCGUYGLFVVCL-UHFFFAOYSA-N 360.366 1.796 50 40 FDGB Cc1cnc2c(S(=O)(=O)NNC(=O)c3ccccc3O)cccc2c1 23371311 ZKKLQWCISPXYKP-UHFFFAOYSA-N 357.391 1.872 50 40 FDGB CC(C)Oc1ccc(C(=O)NNC(=O)c2cnc3sccn3c2=O)cc1 14244898 ZEFJCFPBCLKYJJ-UHFFFAOYSA-N 372.406 1.618 50 40 FDGB O=C(NNC(=O)C1[C@H]2CCCC[C@H]12)c1coc(=O)c(Br)c1 101013435 AKDOOCKFYTWJRI-IUCAKERBSA-N 355.188 1.600 50 40 FDGB N#C/C(=C\c1ccc(Br)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2696825 NMEFTKNJZLTTOR-SVTZGKHISA-N 369.240 1.659 50 40 FDGB COc1ccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c(OC)c1 1246456 BKTCPGOWVXGSGM-GIJQJNRQSA-N 354.370 1.522 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)c(OC)c1 12690278 ZPVCYRZYGCFMCA-UHFFFAOYSA-N 368.187 1.869 50 40 FDGB O=C(NNC(=O)c1ccco1)c1ccc(I)cc1 13020806 QXDZOIWZNJHKEJ-UHFFFAOYSA-N 356.119 1.959 50 40 FDGB O=C(NNC(=O)[C@@H]1CCCN1c1nccs1)[C@@H]1COc2ccccc2O1 96998183 GNEPHYSAHYSJGG-FZMZJTMJSA-N 374.422 1.099 50 40 FDGB CC(=O)c1sc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)nc1C 575422030 LUBUJAWUSUVNAT-JGVFFNPUSA-N 367.905 1.345 50 40 FDGB C/C(CC(=O)N1CCN(C=O)CC1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 5282528 KTJTYSDUINPIEN-RCCKNPSSSA-N 372.469 1.781 50 40 FDGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885081 CAEVLTBWESWMKY-CXUHLZMHSA-N 357.282 1.592 50 40 FDGB Cn1cc(Br)cc1C(=O)NNC(=O)Cc1ccccc1F 28719785 OHLXBTXIBMSPHC-UHFFFAOYSA-N 354.179 1.930 50 40 FDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cccc([N+](=O)[O-])c1O 38321438 KYBLSCDXUXRBAI-RQZCQDPDSA-N 367.325 1.104 50 40 FDGB COc1ccc(C(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c(O)c1 409392846 SLEQRZHDSLIEEG-CAOOACKPSA-N 361.310 1.787 50 40 FDGB NNC(=O)c1cn(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc12 216934916 LJVSXRILOVLFFR-UHFFFAOYSA-N 354.322 1.872 50 40 FDGB C#CCOc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Cl 59246638 MQKHHLPEVAQHPK-GRSHGNNSSA-N 370.236 1.788 50 40 FDGB CCc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1 5046981 MXEDGYCCUYNUTO-DJKKODMXSA-N 368.401 1.682 50 40 FDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccc(F)cc1 5092830 QNFAILUHCRTGNU-DJKKODMXSA-N 372.364 1.649 50 40 FDGB O=C(Cc1c(Cl)cccc1Cl)NNC(=O)C(=O)NCc1ccco1 7002642 DRQHTXYRWIXUFE-UHFFFAOYSA-N 370.192 1.593 50 40 FDGB O=C(NNC(=O)C1CC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 7977867 VOWHONCIFXHQRE-UHFFFAOYSA-N 353.334 1.247 50 40 FDGB O=C(CC(=O)N/N=C\c1ccc2c(c1)OCO2)NCCc1ccccc1 32116918 IFIZLWYKCIYLOV-MTJSOVHGSA-N 353.378 1.614 50 40 FDGB O=C(NNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O)c1ccc(Br)o1 13147015 DEVBDPVDCFRFSB-HLQDMEJYSA-N 371.187 1.550 50 40 FDGB CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccncc2)c2ccccc21 13773856 DLNCMKRUHYHIHL-FXBPSFAMSA-N 351.410 1.862 50 40 FDGB O=C(NNC(=S)Nc1ccc(Br)cc1)c1csnn1 1775968337 CGFKZDFMONOSEQ-UHFFFAOYSA-N 358.246 1.932 50 40 FDGB COc1ccc(NC(=O)C(=O)NN/C=C2\OC(=O)c3ccccc32)cc1 100361004 KDXQLVCGSYYEFT-GDNBJRDFSA-N 353.334 1.424 50 40 FDGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)CCc1c[nH]c2ccccc12 8782434 IFWDVMJUOOYZSB-LICLKQGHSA-N 356.346 1.188 50 40 FDGB COc1cccc(/C=N/NC(=O)CNC(=O)COc2ccccc2)c1O 2286426 OBVSXVXAWMTVAY-KEBDBYFISA-N 357.366 1.046 50 40 FDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)COc1cccc(F)c1 7841864 HOOJWOVDSZBYEC-NSHDSACASA-N 350.321 1.959 50 40 FDGB Cc1cc(C)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1C 575422993 NGPDLCULJABOLC-NEPJUHHUSA-N 351.877 1.295 50 40 FDGB O=C(N/N=C/c1cccc2nonc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2065917 SQBLMWQIPLCBSE-VIZOYTHASA-N 356.254 1.803 50 40 FDGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc2ccccc2c1 100030000 XVLGEXIYWAQAIN-LPYMAVHISA-N 370.409 1.423 50 40 FDGB Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccc(Cl)cc1 13027497 SCSZHEVHRXJZTG-UHFFFAOYSA-N 368.798 1.970 50 40 FDGB O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1COc2ccccc2O1 8843257 OALHUUJPDWNYTG-CQSZACIVSA-N 360.282 1.786 50 40 FDGB COC(=O)COc1ccccc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 33746860 CZTDFQBDZHHWBJ-ODLFYWEKSA-N 371.349 1.839 50 40 FDGB O=C(NNC(=O)[C@H]1CCCc2ccccc21)c1n[nH]c(=O)c2ccccc12 24833783 GCDMYILLMULPFQ-HNNXBMFYSA-N 362.389 1.804 50 40 FDGB COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)NCc1ccco1 4610854 QOHXNRADBVPSBX-CIAFOILYSA-N 372.381 1.425 50 40 FDGB O=C(COc1ccccc1Cl)NC(=S)NNC(=O)c1ccncc1 6528774 HQKTWHHKMGPFCS-UHFFFAOYSA-N 364.814 1.450 50 40 FDGB O=C(O)COc1ccccc1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 1057795 UKQUXWNJFCQZSS-ARFNDINWSA-N 356.334 1.440 50 40 FDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1 58880645 FKAYOKMIWLFDMW-UDWIEESQSA-N 374.441 1.053 50 40 FDGB C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)CS2 12623485 LUWFQLWOHYHGTK-ABAIWWIYSA-N 353.831 1.555 50 40 FDGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O 59433300 FKHXZDDWKWTLDK-LZYBPNLTSA-N 360.282 1.607 50 40 FDGB O=C(NCc1cccnc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408687671 USLVVZXMOOAPOT-DZDPUUJWSA-N 351.200 1.269 50 40 FDGB NC(=S)N/N=C1/[C@H]2[C@H]3C[C@@H]4[C@H]5[C@H]3[C@H]1[C@@H]([C@@H]42)[C@@H]5I 195528934 JFMQOXYVKCNNAF-KSMIBGDLSA-N 359.236 1.367 50 40 FDGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 5128113 BEBSWMOIEFTENJ-CJHWLFRYSA-N 358.394 1.781 50 40 FDGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NNC(=O)C12CC3CC(CC(C3)C1)C2 16694053 LOPHHCFGEGRTGX-DHDCSXOGSA-N 354.410 1.204 50 40 FDGB COc1ccc(C(=O)NNC(=O)CSc2nnc(C3CC3)n2C)cc1 1364670 JZIMQBITBSCLOA-UHFFFAOYSA-N 361.427 1.254 50 40 FDGB COc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 4966159 NLCVHMDNXXGORT-CQSZACIVSA-N 355.398 1.163 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccc(O)cc1)C1CCCCC1 106035626 LLPAYCBFBYIWKF-BOPFTXTBSA-N 353.444 1.437 50 40 FDGB Cn1c(=O)n(C)c2cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])ccc21 107677866 ACUNJJQESZCXNN-ODLFYWEKSA-N 367.365 1.478 50 40 FDGB O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(Cl)cc1Cl 8984752 OKULLDGTJUUXGE-UHFFFAOYSA-N 356.165 1.777 50 40 FDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(C)o1 5575830 GURLDHGYGMJDIV-AISSWFOISA-N 360.391 1.367 50 40 FDGB COc1ccc(CC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 8122840 PRGVMAZKWGLDGM-UHFFFAOYSA-N 352.188 1.790 50 40 FDGB COC(=O)COc1cccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1 408840537 GSBRSWAIQMMVEF-MZYRPWKCSA-N 370.361 1.529 50 40 FDGB CCN(NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccc(C)cc1 32423635 IWIDULXKZOWBCQ-UHFFFAOYSA-N 367.409 1.112 50 40 FDGB O=C(CSc1cccc2cccnc12)NNC(=O)c1cccnc1O 12979532 WRRHRIJDHIEAJO-UHFFFAOYSA-N 354.391 1.889 50 40 FDGB CCCCCCC(=O)NN/C=C1\C(=O)NC(=S)N([C@@H](C)CC)C1=O 9109776 AOXNJCIOAOFNDR-OCUQMRJBSA-N 354.476 1.503 50 40 FDGB O=C(NCc1ccccc1)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 4727477 FLYVDBOGXBTOMP-OKDXSUHISA-N 350.212 1.874 50 40 FDGB Cc1ccccc1CSCC(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 7853172 NZEUUZATHFETBL-ZDUSSCGKSA-N 370.496 1.200 50 40 FDGB COc1cc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc(OC)c1OC 226367756 SJNVHMZUEZTWLZ-UHFFFAOYSA-N 369.377 1.959 50 40 FDGB O=C(NN=C1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1n[nH]c(=O)c2ccccc12 100699724 QRLNDHHASUNKJI-KKXDTHOCSA-N 352.394 1.580 50 40 FDGB COc1ccc(/C=N/NC(=O)CC(=O)N/N=C/c2ccc(OC)cc2)cc1 1738998 PSLFJXMSWPLIPH-ZIOPAAQOSA-N 368.393 1.694 50 40 FDGB biogenic CC(C)c1c(C(=O)N/N=C/c2ccccc2Cl)nnn1-c1nonc1N 2392420 BJFGWSWAMSWGAP-CNHKJKLMSA-N 374.792 1.773 50 40 FDGB CC(C)CN1C(=O)c2ccc(C(=O)NNC(=O)c3ccncc3)cc2C1=O 4548692 BAIIVILLNFUNLQ-UHFFFAOYSA-N 366.377 1.408 50 40 FDGB CCCCC(=O)NN/C(C)=C1\C(=O)N=C(O)N(Cc2ccccc2)C1=O 17015780 OIOAOLWJQKUKOE-NTCAYCPXSA-N 358.398 1.554 50 40 FDGB CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(C)=O)s2)cc1O 408731167 KXLGKQKPOSSEOI-LZYBPNLTSA-N 363.399 1.294 50 40 FDGB C#CCOc1cccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c1 6295430 FOOQITMQUJSTOB-SRZZPIQSSA-N 351.362 1.990 50 40 FDGB CCOC(=O)[C@H]1/C(=N/NC(=O)CC#N)C[C@](C)(O)C[C@@H]1c1ccccc1 100249865 NJAZXKWHVGETQM-NLXFLDDUSA-N 357.410 1.880 50 40 FDGB Cc1cc(C)nc(NNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)n1 32913650 OCVHBLFYYMHDMT-AWEZNQCLSA-N 355.398 1.547 50 40 FDGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)ccc1O 59459670 XUCBXLQRORYYKX-VXLYETTFSA-N 373.365 1.507 50 40 FDGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1cccnc1)S(C)(=O)=O 20213815 LKPHYZUKYBSMDH-YBFXNURJSA-N 360.439 1.615 50 40 FDGB C/C(CC(=O)Nc1cccnc1)=N\NC(=O)C(=O)Nc1ccc(C)cc1 4357516 MYKZSTMRTUGRFT-LPYMAVHISA-N 353.382 1.849 50 40 FDGB Cc1ccccc1CSCC(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1 7853174 NZEUUZATHFETBL-CYBMUJFWSA-N 370.496 1.200 50 40 FDGB NNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 409056084 DWLXVPPLKIEZKM-UHFFFAOYSA-N 371.821 1.660 50 40 FDGB CCOc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)ccc1O 32116912 XQGWLSVQRZHGEV-HMAPJEAMSA-N 369.421 1.990 50 40 FDGB CCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 2690780 WPMJPQMKKGRRTL-UHFFFAOYSA-N 360.233 1.260 50 40 FDGB Nc1nonc1C(=O)N/N=C/c1cc(Cl)cc(Br)c1O 1054503 BLNVGCCVJSCSQI-LZWSPWQCSA-N 360.555 1.537 50 40 FDGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1 2408118 CSBHLUYPLKRKBH-QGMBQPNBSA-N 354.374 1.428 50 40 FDGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 408734200 FSXGSMOCJYDULJ-OBHPCNEJSA-N 358.394 1.831 50 40 FDGB O=C(Cc1cccc2ccccc12)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 4392915 SLLAZFLIMVNHFD-ZDUSSCGKSA-N 360.435 1.355 50 40 FDGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccccn1)S(C)(=O)=O 20213842 SCTVOTFEMVTDBS-YBFXNURJSA-N 360.439 1.615 50 40 FDGB COc1cc(C)ccc1OCC(=O)NNC(=O)COc1ccc(F)cc1 6558078 VDKOYJKAOLXCCD-UHFFFAOYSA-N 362.357 1.748 50 40 FDGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)C[C@@H]1COC(=O)C1 84562864 MDFZVUNXFACFDN-AWEZNQCLSA-N 368.389 1.833 50 40 FDGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1cccc([N+](=O)[O-])c1 5553092 DSPAHQLCAFKOGC-MRXNPFEDSA-N 373.321 1.716 50 40 FDGB C/C(=N\NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc2c(c1)OCO2 6287322 DDBYWLBWUTXOLQ-XDHOZWIPSA-N 364.365 1.609 50 40 FDGB COC(=O)c1ccc([C@@H]2[C@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 20841456 YNYGYZVUELWZGF-DLBZAZTESA-N 359.389 1.486 50 40 FDGB O=C(Cc1ccc([N+](=O)[O-])cc1)NNS(=O)(=O)c1ccc(Cl)cc1 869543 RKIMSXOYBDKGOZ-UHFFFAOYSA-N 369.786 1.800 50 40 FDGB CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1O 3081773 UHISRHMQCZAFIX-UFFVCSGVSA-N 359.357 1.810 50 40 FDGB COC(=O)N/N=C(/c1ccc(O)cc1)[C@@H](C)[C@@]1(O)C(=O)Nc2ccccc21 17176569 HJXZINHUQWMPQB-ATCJZYJRSA-N 369.377 1.928 50 40 FDGB ClCCN1CCN(c2ccnc(N3CCN(CCCl)CC3)n2)CC1 1693765 URNRCYNJXJCQBR-UHFFFAOYSA-N 373.332 1.198 50 40 FDGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1 4453577 LYNHTUSRHJUFBK-HRAATJIYSA-N 370.416 1.538 50 40 FDGB COc1ccnc(NNC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)n1 25125329 SZQFJQGIYOXRGP-ZIAGYGMSSA-N 371.441 1.851 50 40 FDGB COC(=O)C[C@@H](Br)c1nc2cc(OC)c(OC)cc2[nH]c1=O 16215112 MOTWYMDGJWKXNP-SSDOTTSWSA-N 371.187 1.939 50 40 FDGB COc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 3523539 BUIBFDJSOUGNGU-UHFFFAOYSA-N 362.769 1.967 50 40 FDGB CCc1nnc(NC(=O)CCC(=O)NNC(=O)Nc2ccccc2)s1 4130335 CEGRUTBEHUACNI-UHFFFAOYSA-N 362.415 1.672 50 40 FDGB Cn1/c(=N\NC(=O)CN2C(=O)c3ccccc3C2=O)sc2ccccc21 104923844 NYGNORZSIRBKLY-CZIZESTLSA-N 366.402 1.468 50 40 FDGB CCCCNC1=C(C(=O)OCC)/C(=N\NC(=O)c2ccccc2O)CO1 104288231 SITHJXXPVWLOQI-MOSHPQCFSA-N 361.398 1.673 50 40 FDGB COC(=O)c1ccc([C@H]2[C@@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 27130073 YNYGYZVUELWZGF-SJORKVTESA-N 359.389 1.486 50 40 FDGB COc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 68933389 IZDSTGOIHSMPEO-LBPRGKRZSA-N 371.368 1.648 50 40 FDGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(OC)c(OC)c(OC)c1 1004535 ZILUCLILGJWTSX-HNNXBMFYSA-N 360.366 1.967 50 40 FDGB CCOc1cc(/C=N/NC(N)=O)ccc1OS(=O)(=O)c1ccccc1 58822777 VJZHDJPUKGMXRL-WOJGMQOQSA-N 363.395 1.855 50 40 FDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccs2)c2ccccc21 5643722 YRLVZWJZYLWMCX-PGMHBOJBSA-N 370.434 1.755 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1ccc(F)cc1 408784804 XOCBPQPRQIMBLX-VXLYETTFSA-N 367.377 1.881 50 40 FDGB O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccncc2)[nH]1)c1ccncc1 30955035 VCMAFZSGXNSILC-XHQRYOPUSA-N 361.365 1.333 50 40 FDGB COc1ccccc1OCC(=O)N/N=C/c1cc(OC)c(O)c(OC)c1 678283 VHSSZLLTUHKQLE-VXLYETTFSA-N 360.366 1.947 50 40 FDGB COC(=O)NNC(=O)c1ccc(OC)c(I)c1 671380 CJFIROKPQYVZPO-UHFFFAOYSA-N 350.112 1.301 50 40 FDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c(OC)c1 4476310 VYPHJEYQAIROLH-HNNXBMFYSA-N 356.334 1.367 50 40 FDGB COc1ccccc1NCC(=O)N/N=C/c1ccc(S(=O)(=O)O)o1 4045508 RFOLQTOXXSVCEW-LZYBPNLTSA-N 353.356 1.097 50 40 FDGB Cc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 18180264 NECQKYMEZGGFBY-OAHLLOKOSA-N 368.349 1.470 50 40 FDGB CC1(C)OC(=O)C([C@H](c2ccccc2)[C@@H](C#N)C(N)=C(C#N)C#N)C(=O)O1 20405777 NRKBYWIPFTXZSX-ZIAGYGMSSA-N 364.361 1.622 50 40 FDGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1 6860536 AOQNHRQWCDISGJ-QUEVPRLRSA-N 360.410 1.657 50 40 FDGB COCCNC(=O)CN(C)S(=O)(=O)c1ccc(CCCCl)cc1 58178667 DHCSADJCUKSBNA-UHFFFAOYSA-N 362.879 1.241 50 40 FDGB N#CC(C(=O)COC(=O)CNC(=O)c1ccco1)=C1Nc2ccccc2N1 3281884 OTUOXWQFTNSATO-UHFFFAOYSA-N 366.333 1.394 50 40 FDGB CCCc1c(C(=O)N/N=C(\C)c2ccc(F)cc2)nnn1-c1nonc1N 5295517 WBRREFRIPIHLSM-DJKKODMXSA-N 372.364 1.478 50 40 FDGB Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 14185049 NBQUNQXZIQIYRY-UHFFFAOYSA-N 367.452 1.382 50 40 FDGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccnc1 5740853 LEWAPMQVYOVSKC-YBFXNURJSA-N 355.354 1.590 50 40 FDGB Cc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)ccc1[N+](=O)[O-] 5697896 HNNQWSUPOFJWKX-QOBDMFJFSA-N 361.354 1.411 50 40 FDGB COc1ccccc1NCC(=O)N/N=C\c1ccccc1OCC(=O)O 5335830 ARKUVZMXVMQQJC-JMIUGGIZSA-N 357.366 1.721 50 40 FDGB CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)C1 30599267 RVQFDIDNKMAUHJ-GFCCVEGCSA-N 365.455 1.866 50 40 FDGB Cc1ccnc(N/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\N(C)C)n1 100256725 YLZRUJNPSVRNOK-YCQTUCNWSA-N 367.413 1.089 50 40 FDGB Cc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)c(C)c1 20208073 QXVPZINNHQUEGH-YBFXNURJSA-N 360.439 1.615 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408973634 ZVGHPXTXFHPFPR-SRZZPIQSSA-N 360.389 1.446 50 40 FDGB COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)cc2)cc1OC 33374312 ZUIDYTBPAMOMTG-GRSHGNNSSA-N 358.350 1.931 50 40 FDGB Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 5513068 ZQMVNBCTCJRCCW-QGZVFWFLSA-N 356.378 1.670 50 40 FDGB O=C(Cn1nnc(-c2ccccc2)n1)NNC(=S)Nc1ccccc1 715279 YNBAORSBZHTUMO-UHFFFAOYSA-N 353.411 1.358 50 40 FDGB CCCN1C(=O)/C(=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)c2ccccc21 6605071 ROTLMBJMNUDSMH-CAPFRKAQSA-N 370.369 1.377 50 40 FDGB COc1ccc(C)cc1N1C[C@H](C(=O)NNC(=O)C2CCCC2)CC1=O 84144650 HWIPROLIEUBVHA-CQSZACIVSA-N 359.426 1.694 50 40 FDGB CCOC(=O)/C(C#N)=C/c1c(N2CCOCC2)nc2ccccn2c1=O 5533030 ACWUGJSEDFMHLD-ACCUITESSA-N 354.366 1.001 50 40 FDGB Cc1ccccc1OCCC(=O)OCC(=O)NNC(=O)c1cccs1 8008959 LABYJPHWDQBVCZ-UHFFFAOYSA-N 362.407 1.830 50 40 FDGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 408734199 FSXGSMOCJYDULJ-IUYQLWOBSA-N 358.394 1.831 50 40 FDGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc2c(c1)n(C)c(=O)n2C 408888463 ZZZOIVNPPNKJSK-RGVLZGJSSA-N 352.394 1.958 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)cc1 12950644 UMPKDXRTUYXIRD-OAHLLOKOSA-N 355.369 1.635 50 40 FDGB CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccnc2)cc1 14015551 GEVLTHNDXDJEEA-UHFFFAOYSA-N 356.382 1.660 50 40 FDGB CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2c[nH]c3ccccc23)C1 30600067 UDRDIUNSAPIMCY-GFCCVEGCSA-N 358.398 1.797 50 40 FDGB NC(=O)N/N=C1/[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@@](F)([C@@H]5I)[C@@H]24 261361224 MBGUCZDUDAPKPA-DRRSAGJDSA-N 361.158 1.294 50 40 FDGB Cc1cc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)ccc1[N+](=O)[O-] 5697899 HNNQWSUPOFJWKX-OAACRXHESA-N 361.354 1.411 50 40 FDGB O=C(NN[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 857143 REWKXAHNUONPRU-CQSZACIVSA-N 354.322 1.161 50 40 FDGB CSc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1 8873263 FFVZYOYOZXVANM-FRKPEAEDSA-N 358.387 1.027 50 40 FDGB C=CCC1([C@@H](Br)[C@H](C)Br)C(=O)NC(=O)NC1=O 101342133 CSDYEFNIGZLRSB-WDSKDSINSA-N 368.025 1.462 50 40 FDGB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)OC(=O)[C@H]12 104129563 IQWDOEXTRZOIDG-LJMGSBPFSA-N 361.992 1.963 50 40 FDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 5024178 WZOCZXMYJCYYKN-CWFACMBSSA-N 367.409 1.009 50 40 FDGB CCc1sc(C(=O)NNC(=O)c2cccc(-n3cnnn3)c2)cc1C 6648005 KDBSZBFDPILRNY-UHFFFAOYSA-N 356.411 1.669 50 40 FDGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2Cl)s1 408730140 FSPCBHGBHJSAFZ-LZYBPNLTSA-N 367.818 2.453 50 40 FDGB O=C(CSc1nncn1-c1cccnc1)NNC(=O)Cc1ccccc1 890098 PNJCGVGSHCFEJG-UHFFFAOYSA-N 368.422 1.145 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C 58911630 DIFUQBXDRYXLBT-WSDLNYQXSA-N 370.453 1.924 50 40 FDGB Cc1ccc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 5747214 IDDSXXZHYXFXDL-UHFFFAOYSA-N 358.310 1.815 50 40 FDGB C=CCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 33939354 YBFWMIKZOGPFEN-RAXLEYEMSA-N 357.391 1.803 50 40 FDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc([N+](=O)[O-])c1O 3031223 GICSTXAVRYAYNR-LZYBPNLTSA-N 360.282 1.738 50 40 FDGB O=C1CC[C@@H](C(=O)NNC(=O)COc2ccccc2-c2ccccc2)CN1 61332734 KAFZTDLTWZORAO-OAHLLOKOSA-N 367.405 1.406 50 40 FDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1 7415954 QRZBTTWPQSTCBJ-UHFFFAOYSA-N 364.379 1.192 50 40 FDGB CCOC(=O)NNS(=O)(=O)c1cc(Br)ccc1OC 9388648 RKJWDWPZGGUSMW-UHFFFAOYSA-N 353.194 1.397 50 40 FDGB C#CCN1CCCC[C@H]1C(=O)NNC(=O)c1cccc(OC(F)F)c1 72254995 MWRYWDDDHJAQPB-AWEZNQCLSA-N 351.353 1.537 50 40 FDGB CS(=O)(=O)[C@H](I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96519166 SSYMDSOEQFXBPN-IUCAKERBSA-N 371.152 1.434 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)CC(=O)NCc2ccccc2)c1 2054515 CGRLHDCWGMYJIQ-FYJGNVAPSA-N 355.394 1.860 50 40 FDGB CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccs3)CC2=O)cc1 6452225 SNLDGAXMXPOJMH-GFCCVEGCSA-N 373.434 1.961 50 40 FDGB Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)NNC(=S)NN 6483813 VTMPZMWXGYCXIP-UHFFFAOYSA-N 356.864 1.831 50 40 FDGB CCCCCn1c(SC[C@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 1747704 MEDPZTGMZOXBAT-SECBINFHSA-N 360.867 1.305 50 40 FDGB Cc1cccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)c1C 408912737 REAOBONQEHWNIK-YBFXNURJSA-N 360.439 1.615 50 40 FDGB CNC(=O)c1cccc(N[C@@H](C)C(=O)NNC(=O)c2cccc(Cl)c2)c1 9114812 UYGHSRDJZQZGTN-NSHDSACASA-N 374.828 1.961 50 40 FDGB CCC(=O)NNC(=O)CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 4687654 XDICIOAEOFFMAL-UHFFFAOYSA-N 366.849 1.326 50 40 FDGB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)c1cccs1)C2=O 9378043 CYKGBRVUJXQHDS-MGPLVRAMSA-N 364.427 1.010 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 17072673 CUDBISUOHSJWOG-ZIAGYGMSSA-N 350.371 1.112 50 40 FDGB COc1ccc(/C=N\NC(=O)C(=O)N/N=C\c2ccc(OC)cc2)cc1 31637045 NDZINXKJEVQGNJ-YZLQMOBTSA-N 354.366 1.304 50 40 FDGB CCCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21 12858508 DRANMVCCQSSJEB-IBGZPJMESA-N 353.378 1.852 50 40 FDGB CC(/C=C/c1ccco1)=N\NC(=O)CNC(=O)c1ccc2c(c1)OCO2 4587424 MJIWVNPSQGPCJH-FKTOWYLZSA-N 355.350 1.944 50 40 FDGB O=C(N/N=C/c1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 6446913 KNAYYYUVAINLSJ-FRKPEAEDSA-N 370.281 1.849 50 40 FDGB CCn1nc(C(=O)NNC(=O)Cc2ccccc2C)c2ccccc2c1=O 7541149 HAZWUYLIFJVJIK-UHFFFAOYSA-N 364.405 1.729 50 40 FDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)c(OC)c1OC 16215743 MLDOIQWKJUZJMD-LLVKDONJSA-N 356.338 1.014 50 40 FDGB O=C(CCn1cncn1)NNC(=O)CSc1cc(Cl)ccc1Cl 32895942 ZJYTWHWSMCKBGE-UHFFFAOYSA-N 374.253 1.915 50 40 FDGB C=CCOc1ccc(/C=N/NC(=O)CC(=O)NCCCOC)cc1OC 59459653 TYABXHLXMCFVDU-DEDYPNTBSA-N 363.414 1.253 50 40 FDGB O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)Nc1ccc(O)cc1 8474790 YBVXLYDEKJABPR-JOGIVDDZSA-N 352.184 1.902 50 40 FDGB COc1c(OC(C)=O)ccc(/C=N\NC(=O)c2ccc(C)nc2)c1[N+](=O)[O-] 12362773 KEHVRCKTXQJHSS-OCKHKDLRSA-N 372.337 1.996 50 40 FDGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](O)[C@H]3Br)[C@H]2C(=O)N1Cc1ccccc1 4698473 ODNUEARIKRPROV-AJSWTNHPSA-N 350.212 1.562 50 40 FDGB CCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3)C2=O)cc1 100988798 DYPGXPQHHQXGKZ-MRXNPFEDSA-N 353.378 1.652 50 40 FDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3F)CC2=O)cc1 105058734 FQGMMIMCGNBTBM-LBPRGKRZSA-N 371.368 1.648 50 40 FDGB CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408613305 YVYJRBMGCJUEQS-UFFVCSGVSA-N 359.357 1.609 50 40 FDGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccc([N+](=O)[O-])cc1 408973713 POJBRZCRWVUHNH-GIJQJNRQSA-N 369.316 1.538 50 40 FDGB COc1cc(CC(=O)NNC(=O)c2cc(C)oc2C)cc(OC)c1OC 3621549 OFMXFBWFMXNELP-UHFFFAOYSA-N 362.382 1.926 50 40 FDGB COc1cc(OC)cc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1 3458434 BSGFYWZXJGLBQE-UHFFFAOYSA-N 368.349 1.015 50 40 FDGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](C)O)cc2)cc1 58882283 TTXMUSAHMJUBQJ-HSWQHBDASA-N 371.393 1.544 50 40 FDGB Cc1cc(OCC(=O)NNC(=O)C(=O)N2CCCCC2)cc(C)c1Cl 4551369 UMYCGALWLFNHHX-UHFFFAOYSA-N 367.833 1.496 50 40 FDGB Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1O)S(C)(=O)=O 5549127 JBEGVHHQDGXRPK-WOJGMQOQSA-N 361.423 1.617 50 40 FDGB COC(=O)[C@H]1CN(C(=O)CCl)CCN1C(=O)OCc1ccccc1 79419941 CIEXNFONTAOTRI-CYBMUJFWSA-N 354.790 1.248 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)c1ccncc1 226856108 MLFDTGRRVGXMSF-UHFFFAOYSA-N 355.759 1.057 50 40 FDGB C[C@H]1[C@@H](NNC(N)=O)Oc2cc3c(cc2[C@H]1c1ccccc1O)OCO3 5956734 ICISIXUOSAGJCL-TVNTUTRRSA-N 357.366 1.780 50 40 FDGB CO[C@@H](CCN1C(=O)c2ccccc2C1=O)[C@@H](Br)C(=O)O 1706622 NMGSJFZNBDUBIX-WDEREUQCSA-N 356.172 1.536 50 40 FDGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2OC)s1 1958308 BQMGNQIHGMCLLF-LICLKQGHSA-N 361.427 1.978 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 59515598 LYYXFGVMRPLLPS-FYJGNVAPSA-N 354.410 1.528 50 40 FDGB CC(C)CCN1C(=O)C[C@@H](NNC(=O)c2cc3ccccc3cc2O)C1=O 3404258 LCWIDHBPVVMPTO-MRXNPFEDSA-N 369.421 1.953 50 40 FDGB COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 6047212 OWPNXKAFVVUSBB-HVHIRKTFSA-N 362.430 1.866 50 40 FDGB Cn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1C(F)(F)F 6223863 NUOYTXALDFIMQK-UHFFFAOYSA-N 359.333 1.387 50 40 FDGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1 2697901 YWTYBBZDAVPOJF-QGZVFWFLSA-N 374.393 1.975 50 40 FDGB O=C(N[C@H]1C=CS(=O)(=O)C1)OCC(Br)Br 59568552 YBEBLFXYEMBDLV-YFKPBYRVSA-N 363.027 1.139 50 40 FDGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COc1ccccc1C#N 6509527 SBCHUHOEENRXIJ-GFCCVEGCSA-N 357.341 1.691 50 40 FDGB CCCCC(=O)NN/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 9319845 VUOMKZZVAWFMFX-MDZDMXLPSA-N 364.402 1.268 50 40 FDGB O=C(COc1ccccc1F)NNS(=O)(=O)c1cccc(Cl)c1 7517519 UVVVQUHQLPYWLN-UHFFFAOYSA-N 358.778 1.868 50 40 FDGB Cc1occc1C(=O)NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 8706510 RNBPHBHBLRETLJ-UHFFFAOYSA-N 368.349 1.824 50 40 FDGB N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)NC[C@H]1CCCO1 409198050 VTJNFHBRSWDINN-XETPBLJFSA-N 353.378 1.928 50 40 FDGB CCOC(=O)/C(=N/Nc1cc(C(=O)O)cc(C(=O)O)c1)C(=O)CCl 3267592 MDUFQCBIZBTXEW-GZTJUZNOSA-N 356.718 1.222 50 40 FDGB CC(=O)c1ccc(NC(=O)/C(=N\NC(N)=O)[C@@H](C#N)CC(C)(C)C=O)cc1 17210987 JXQAYEPFUXEYML-JZZHWFMQSA-N 371.397 1.607 50 40 FDGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 16073293 XKDXPZRHAMSIEU-UHFFFAOYSA-N 371.418 1.575 50 40 FDGB C[C@@H](C(=O)NN=C1CCN(C)CC1)N(c1ccccc1)S(C)(=O)=O 53166396 ZFSGYLNRFAJQOQ-ZDUSSCGKSA-N 352.460 1.039 50 40 FDGB CCc1ccc(OCC(=O)NNC(=O)c2cnc3sccn3c2=O)cc1 12984664 KHLDETOUVBESJJ-UHFFFAOYSA-N 372.406 1.158 50 40 FDGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 3621395 ANFLRWCXADOBMU-OAHLLOKOSA-N 362.769 1.950 50 40 FDGB O=C(N/N=C/c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccncc1 9108859 AIEBPXCAWOPFPI-KEBDBYFISA-N 350.334 1.458 50 40 FDGB CN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 6211773 CDEDHUUVRVYWEU-AINRXDHISA-N 362.389 1.313 50 40 FDGB CCN1C(=O)/C(=N/NC(=O)CNC(=O)/C=C/c2ccco2)c2ccccc21 18144851 PJNOKGXXGOXGQO-YFSTZJOSSA-N 366.377 1.296 50 40 FDGB COC(=O)COc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 34782395 VSICGESGQCQTCX-NVMNQCDNSA-N 373.321 1.616 50 40 FDGB Cc1c(C(=O)N/N=C/c2ccccn2)nn(-c2ccccc2)c(=O)c1C#N 409075240 XTOVZMKDUVXIGE-WSDLNYQXSA-N 358.361 1.572 50 40 FDGB COc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1C(C)C 2409219 VWKJUNOTCYYTIV-QGMBQPNBSA-N 370.373 1.128 50 40 FDGB CC1(C)O[C@@H]2O[C@@H](CI)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 5203113 JMIGDGVTFPSEMQ-CHHOWFRJSA-N 370.183 1.818 50 40 FDGB Cn1ccnc1SCc1ccc(C(=O)NNC(=O)c2ccnn2C)cc1 888128 WXWSMVDDVFGQSZ-UHFFFAOYSA-N 370.438 1.521 50 40 FDGB CCCc1nc2c(o1)NC(N)=C(C#N)[C@@H]2c1ccc(OCC(N)=O)cc1 1073809 CRYCMPJXXCCZIZ-HNNXBMFYSA-N 353.382 1.742 50 40 FDGB CSc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1 6584940 VGJOHKRRAWARBR-GZTJUZNOSA-N 363.464 1.837 50 40 FDGB COC(=O)[C@H]1[C@@H]2C[C@H]([C@@H](Br)[C@H]2Br)[C@@H]1C(=O)OC 100390314 KBRJVBWTARLNHP-MPZDYKMXSA-N 370.037 1.742 50 40 FDGB C[C@H](C(=O)NN=C1CCN(C)CC1)N(c1ccccc1)S(C)(=O)=O 53166400 ZFSGYLNRFAJQOQ-CYBMUJFWSA-N 352.460 1.039 50 40 FDGB N#CCC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 28214267 JZMQIRGGOJEXTI-OEAKJJBVSA-N 364.405 1.788 50 40 FDGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(N)=O 409267762 OYLQJPYZHUULAO-UKWGHVSLSA-N 361.785 1.977 50 40 FDGB CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(C)o1 32654870 GURLDHGYGMJDIV-FUEWVNAISA-N 360.391 1.367 50 40 FDGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1C 102201832 ILDDOMJAFVZHTL-HZRXROBNSA-N 372.421 1.741 50 40 FDGB COCCNC(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 4681769 PIZQEHVOFHNDMD-UHFFFAOYSA-N 361.320 1.009 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2O)cc1 409257273 RWCJERLNUWGLOX-KEBDBYFISA-N 361.785 1.821 50 40 FDGB COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408615579 QWASYVDHYZELSY-ZDUSSCGKSA-N 371.368 1.648 50 40 FDGB CN(CCO)c1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 6027101 AYQYXFVYPZWEKZ-TYJAPOHBSA-N 355.394 1.405 50 40 FDGB C/C(=N/NC(=O)CNC(=O)[C@@H]1COc2ccccc2O1)c1cccs1 4898057 MNQNQZTWTZYGAV-KVMVOAJRSA-N 359.407 1.545 50 40 FDGB Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1cc(F)cc(F)c1 9156900 YPTXMANXQMGIBU-UHFFFAOYSA-N 366.349 1.544 50 40 FDGB N#C[C@@H](C(=O)COc1ccccc1)C(=O)NNC(=O)COc1ccccc1 4825827 DQHNWYCCAUFLCM-INIZCTEOSA-N 367.361 1.001 50 40 FDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CCCN1c1nccs1 96998180 GNEPHYSAHYSJGG-SMDDNHRTSA-N 374.422 1.099 50 40 FDGB COc1cc(OC)cc(C(=O)NNC(=O)C[C@](C)(O)C(F)(F)F)c1 7959626 RWIBRDXSNCZWIH-ZDUSSCGKSA-N 350.293 1.168 50 40 FDGB O=C(NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1ccco1 8707793 HEBBEIXRYMPTQL-UHFFFAOYSA-N 354.322 1.516 50 40 FDGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(N)=O 408766585 VTGLAVBDTZAOHG-XYOKQWHBSA-N 373.346 1.755 50 40 FDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1 409185078 ROEPPKDTDBIMHL-KGENOOAVSA-N 367.405 1.688 50 40 FDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc([N+](=O)[O-])cc1 868319 UBAJOHCQQIDHMI-LICLKQGHSA-N 351.326 1.399 50 40 FDGB Cc1cccc(C)c1OCC(=O)NNC(=O)CCNC(=O)c1ccco1 16074381 KBZFHBWUVMLWKR-UHFFFAOYSA-N 359.382 1.243 50 40 FDGB COc1ccc(OCC(=O)NN[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 100572052 BSQMDHDHFDXMOJ-INIZCTEOSA-N 369.377 1.027 50 40 FDGB COc1ccccc1NCC(=O)NNC(=O)c1c[nH]c2ccccc2c1=O 59986716 YZNQPMUDJWVRSM-UHFFFAOYSA-N 366.377 1.410 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCO2 12944314 SXRXNWNBCRTLBU-UHFFFAOYSA-N 370.333 1.359 50 40 FDGB CCOC(=O)[C@H]1[C@@H](C(=O)NN)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 4348080 DNIWNXWOSLJJSB-GARJFASQSA-N 359.304 1.059 50 40 FDGB O=C(NNS(=O)(=O)c1cc(F)ccc1F)c1ccc2c(c1)OCO2 8109825 JRGLXVQNLWKHBU-UHFFFAOYSA-N 356.306 1.317 50 40 FDGB CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc21 96580988 LPPMCNNKJZEAQU-JWGURIENSA-N 370.796 1.567 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1O 36015160 DYJPZBSHMCYPJO-LZYBPNLTSA-N 360.282 1.981 50 40 FDGB COc1ccc(CC(=O)NN[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 1441524 RXKWXFGFUOURII-MRXNPFEDSA-N 371.368 1.330 50 40 FDGB COc1cc(/C=N/NC(=O)Cn2nnc3ccccc32)cc(Cl)c1O 2738652 SXGCQXJQHMPBIA-QGMBQPNBSA-N 359.773 1.949 50 40 FDGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)[C@@H]1COc2ccccc2O1 3325109 BNSTWUPSYQGYBM-ZVCOJXFSSA-N 373.434 1.875 50 40 FDGB CS(=O)(=O)c1cccc(C(=O)NNC(=O)C2(c3ccccc3)CC2)c1 27148385 RIBQLIAWPTXQOS-UHFFFAOYSA-N 358.419 1.583 50 40 FDGB COc1cccc(C(=O)NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 4313574 RLQNVEJYOMPXMK-UHFFFAOYSA-N 351.340 1.227 50 40 FDGB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCBr 4550965 WUMNJODZIYPTKR-UHFFFAOYSA-N 369.171 1.218 50 40 FDGB COc1cc(C(=O)NNC(=O)c2ccccc2F)c([N+](=O)[O-])cc1OC 7777174 DGMPXCTUYCYPDQ-UHFFFAOYSA-N 363.301 1.826 50 40 FDGB O=C(N/N=C/c1c(Cl)nc2sccn12)c1cnc2ccccn2c1=O 9452608 QRJMIYCHILROAA-QGMBQPNBSA-N 372.797 1.821 50 40 FDGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OC 408805510 KXFVRBVREMXCJQ-NTEUORMPSA-N 362.382 1.307 50 40 FDGB O=C(CN1CCCc2ccccc21)NNC(=O)C(=O)Nc1ccccc1 84549693 BEYPDBGGFTUSBF-UHFFFAOYSA-N 352.394 1.225 50 40 FDGB COc1ccc(C(=O)NNC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 4966160 NLCVHMDNXXGORT-AWEZNQCLSA-N 355.398 1.163 50 40 FDGB O=C(CCC(=O)N1CCOCC1)NNC(=O)Cc1cccc2ccccc12 13228510 JQMYVWKDEVLUJX-UHFFFAOYSA-N 369.421 1.169 50 40 FDGB Cc1cccc(C)c1OCC(=O)NNC(=O)Cn1c(=O)oc2ccccc21 6561181 ZHGUXIZNARPJNG-UHFFFAOYSA-N 369.377 1.438 50 40 FDGB COc1ccc(/C(C)=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c(OC)c1 1303263 NSEUMBUREKJUGU-CIAFOILYSA-N 368.397 1.912 50 40 FDGB Cc1ccc(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 12853050 OJPAXMJDUDLAOA-UHFFFAOYSA-N 360.439 1.292 50 40 FDGB COc1cc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc(OC)c1OC 9314093 OWZLVLCBQDEPMH-IZZDOVSWSA-N 356.386 1.610 50 40 FDGB COC(=O)c1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 20000113 LLFKOXHWOGDCLT-MSOLQXFVSA-N 373.416 1.828 50 40 FDGB COc1cccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 101313713 FPOZLAHCCBXPOF-NZQCTYEBSA-N 374.871 1.535 50 40 FDGB Cc1csc(CC(=O)NNC(=O)CN(Cc2cccs2)C2CC2)n1 69923764 VOJKCJBVLRJMHY-UHFFFAOYSA-N 364.496 1.868 50 40 FDGB Nc1ccc(S(=O)(=O)CCSS(=O)(=O)c2ccc(N)cc2)cc1 3174143 CJSGLBDBFUQQIW-UHFFFAOYSA-N 372.493 1.747 50 40 FDGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)C2CC2)cc1 12932529 KTUWSUKCLZHBSX-HNNXBMFYSA-N 367.471 1.245 50 40 FDGB COc1cc(C(=O)NNC(=O)c2ccc(=O)[nH]n2)ccc1OCCC(C)C 13004892 PTCHTVDLVYPCSK-UHFFFAOYSA-N 374.397 1.278 50 40 FDGB COCCC(=O)Nc1ccc(F)cc1C(=O)NNC(=O)c1ccccc1 40155380 XZHLIVCIKWKNMZ-UHFFFAOYSA-N 359.357 1.876 50 40 FDGB Cc1nnc(NNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)[nH]c1=O 22383482 JWSUGCAWGRWMEG-UHFFFAOYSA-N 358.333 1.343 50 40 FDGB Cc1noc(CCCC(=O)NNC(=O)c2cc(Br)cn2C)n1 36396487 POVJUCHAGBIETD-UHFFFAOYSA-N 370.207 1.263 50 40 FDGB CCc1sc(C(=O)NNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)cc1C 29757981 PXMGZBINHYPSME-LBPRGKRZSA-N 351.472 1.884 50 40 FDGB CCn1nc(C(=O)NNC(=O)Cc2c(C)noc2C)c2ccccc2c1=O 17190058 HPGQGLMSSSIRDW-UHFFFAOYSA-N 369.381 1.025 50 40 FDGB O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H]1C[C@H]2[C@@H](O)[C@H]1Br 4698474 ODNUEARIKRPROV-WHCZJHEKSA-N 350.212 1.562 50 40 FDGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1O 36011748 ARMVKERMKLQSGJ-VHWUNXFSSA-N 359.338 1.883 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1cccc([N+](=O)[O-])c1 409029288 YLMSVRGTZMCGCI-OQLLNIDSSA-N 366.355 1.104 50 40 FDGB COCCNC(=S)NNC(=O)CSc1nc2ccccc2s1 7062332 WMBPZZNIWDUBDN-UHFFFAOYSA-N 356.498 1.530 50 40 FDGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1c(F)cccc1Cl 12747017 AYOPQCXVDLMMKS-UHFFFAOYSA-N 360.732 1.790 50 40 FDGB CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1C(C)C)=C\c1ccco1 2394600 RAVTZDGXZJGELX-IOCKYHLHSA-N 370.373 1.768 50 40 FDGB COc1ccc(CC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 4313563 ZQHRXUAMBCDPLP-UHFFFAOYSA-N 365.367 1.156 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)c2ccccn2)c(Br)c1 4550227 URWZACDKVFEUMM-UHFFFAOYSA-N 364.199 1.993 50 40 FDGB CC(C)c1n[nH]c2c1[C@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9359545 NDJBZAGAPLZDEJ-QGZVFWFLSA-N 366.337 1.766 50 40 FDGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1 33936236 LYNHTUSRHJUFBK-IIBYNOLFSA-N 370.416 1.538 50 40 FDGB O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)NCCc2c[nH]c3ccccc23)C1 575424752 WQVOGOCJRHVFCP-TZMCWYRMSA-N 371.915 1.579 50 40 FDGB O=C(N/N=C/c1coc2ccc(F)cc2c1=O)c1cc(O)c(O)c(O)c1 6222141 KYMPYTKLJSLGSL-KPSZGOFPSA-N 358.281 1.813 50 40 FDGB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NNC(=O)[C@H]1CCCO1 32260250 QMEQAHPTDCWCJW-GFCCVEGCSA-N 365.336 1.879 50 40 FDGB COc1cc(C(=O)NNC(=O)c2ccc(N(C)C)cc2)cc(OC)c1OC 1045595 WYQSLHQHIMMUNL-UHFFFAOYSA-N 373.409 1.853 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cc2c(s1)CCCCC2 29561083 MKKZYKWLEABHCR-LBPRGKRZSA-N 361.467 1.789 50 40 FDGB NC(=O)CN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 4671868 BFLFTXWMHFBDFQ-HMMYKYKNSA-N 356.769 1.306 50 40 FDGB CCOc1ccc2oc(C(=O)NNC(=O)Cn3ccccc3=O)c(C)c2c1 7950674 GJDJBXCBTHZXMZ-UHFFFAOYSA-N 369.377 1.763 50 40 FDGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cccc(OCC(N)=O)c1)OCO3 85408897 MVIWCUACEBHDTI-GOSISDBHSA-N 365.345 1.498 50 40 FDGB N#CC1(C#N)[C@@H](c2ccccc2)[C@H](Br)[C@]2(O)C[C@@]1(C#N)C(=O)N2 13774508 RZIYULXBHNHLCK-CAVOSLQRSA-N 371.194 1.299 50 40 FDGB O=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccc2ccccc2n1 21768117 NISZKJJUCOYOAE-UHFFFAOYSA-N 354.410 1.692 50 40 FDGB COc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 142831 QQIVJMDYBWFEKB-NWDGAFQWSA-N 350.371 1.112 50 40 FDGB COc1cccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 669862 LVECIFKTALLSEA-UHFFFAOYSA-N 351.340 1.227 50 40 FDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 6578722 HJFPURIBVFRYOA-UFFVCSGVSA-N 372.356 1.039 50 40 FDGB C[C@@H](C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1)S(C)(=O)=O 44984473 DUPZMARRHLHDHI-VIFPVBQESA-N 370.427 1.748 50 40 FDGB CCc1ccccc1N(CC(=O)N/N=C/c1ccccn1)S(C)(=O)=O 20208867 YIYYJSFHKWHBAZ-XDHOZWIPSA-N 360.439 1.560 50 40 FDGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccccc2O)c1 16130935 VLHBTLRFCHRFSR-UHFFFAOYSA-N 352.368 1.033 50 40 FDGB COCCNc1nnc(SCC(=O)NNC(=O)c2ccccc2)s1 3443381 MLTHMAUZNKRINT-UHFFFAOYSA-N 367.456 1.150 50 40 FDGB Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2ccccc2O)c1C 13078594 KGHVOCXRTCJFTC-UHFFFAOYSA-N 364.379 1.331 50 40 FDGB O=S(=O)(O)C[C@@H]1CSSC[C@@H](CS(=O)(=O)O)SS1 9090185 CBHYORIGHCURGO-WDSKDSINSA-N 372.558 1.276 50 40 FDGB biogenic COc1ccc(CC(=O)N/N=C/c2ccc(OCC(=O)O)c(OC)c2)cc1 4544341 OAJGOKUFTHTSDH-RGVLZGJSSA-N 372.377 1.860 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1F 55558584 OYRRHXRKBLCARO-UHFFFAOYSA-N 352.343 1.486 50 40 FDGB CCN(CC)C(=S)SCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 5988088 YNDLLMOJCPIHIK-UHFFFAOYSA-N 370.456 1.716 50 40 FDGB Cn1cc(Cl)cc1C(=O)NNC(=O)CCNC(=O)Nc1ccccc1 9738974 DIZSHDOCWLZMPZ-UHFFFAOYSA-N 363.805 1.651 50 40 FDGB Cc1ccc(NCC(=O)NNC(=O)CCNC(=O)c2ccccc2)c(C)c1 12532983 PRPRJDOGFRAUTR-UHFFFAOYSA-N 368.437 1.683 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c1 4702510 NOHZPQGNFHRXLX-YBFXNURJSA-N 366.381 1.508 50 40 FDGB COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1OC 3062168 AXBNGPCRSFTMLJ-FYJGNVAPSA-N 355.394 1.513 50 40 FDGB CN1C(=O)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2cc([N+](=O)[O-])ccc21 16189222 CVINOPSCOSNVLT-SAPNQHFASA-N 369.293 1.614 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2cccc(N3CCCC3=O)c2)cc1 14187652 KRAZHDRKPLIYOI-UHFFFAOYSA-N 353.378 1.897 50 40 FDGB CCCCCn1c(SC[C@@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 1747708 MEDPZTGMZOXBAT-VIFPVBQESA-N 360.867 1.305 50 40 FDGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Cn1ccccc1=O 12689219 XGDQMRIVCXVKEO-UHFFFAOYSA-N 368.418 1.741 50 40 FDGB COc1cc(OC)cc(C(=O)NNC(=O)c2cnc3ccccc3n2)c1 8855607 DGQOWSRVWPWDKK-UHFFFAOYSA-N 352.350 1.722 50 40 FDGB COc1cc(Br)cc(/C=N/NC(=O)CN2CCCC2)c1O 4724260 MCADRCJWDLOGQV-LZYBPNLTSA-N 356.220 1.709 50 40 FDGB COc1cc(/C=N/NC(=O)c2nn(C)cc2Br)ccc1O 1091887 CSLLSHJJFBZWAJ-GIDUJCDVSA-N 353.176 1.661 50 40 FDGB O=C(N/N=C1/C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccncc1 102589982 KNOZSASMEMHOSY-NMWGTECJSA-N 361.449 1.366 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1 58873545 PZVNKXITWGYSIX-CIAFOILYSA-N 369.377 1.005 50 40 FDGB CCCCn1c(N)c(N(CC(C)C)C(=O)CCCCl)c(=O)[nH]c1=O 3278067 BRGASZCMINYFGV-UHFFFAOYSA-N 358.870 1.927 50 40 FDGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)[C@H](C(=O)OC)C(=O)N1 103708742 ZXCODCUCHBFUHW-CABCVRRESA-N 374.418 1.721 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1 4525715 LAJZJPNYMCMHGM-YBFXNURJSA-N 361.398 1.137 50 40 FDGB CCn1nc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccccc2c1=O 6509355 FTXNIBHRHPPJHK-RGVLZGJSSA-N 364.361 1.879 50 40 FDGB Cc1cc(C)nc(NNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)n1 14510602 GIZJAMGUOVSMOI-KRWDZBQOSA-N 355.442 1.920 50 40 FDGB Cn1c(SCC(=O)NNC(=O)c2cccs2)nnc1C(F)(F)F 6861563 QSSGRNYWNNZCBA-UHFFFAOYSA-N 365.362 1.449 50 40 FDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(N)=O)o2)cc1C 408827974 VMGYBFCQILUKHG-JYRVWZFOSA-N 366.377 1.544 50 40 FDGB CC[C@H](C(=O)N/N=C/c1c(C)nn(C)c1F)n1nc([N+](=O)[O-])cc1C 252493184 NAULYMZPFKBNBT-PFJSLNBISA-N 351.342 1.382 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccc(Cl)cc1 19954334 MRLJLYFECCZTLD-CXUHLZMHSA-N 355.803 1.849 50 40 FDGB O=C(CSc1ccccc1F)NNC(=O)[C@@H]1COc2ccccc2O1 9861894 NBHZTQIFPJMGCZ-AWEZNQCLSA-N 362.382 1.905 50 40 FDGB CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccoc3C)CC2=O)c1 32755168 KJHJNPJVICZMCL-AWEZNQCLSA-N 355.394 1.965 50 40 FDGB NNC(=O)CCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 27986432 OVFKMRMSFJMEDK-UDWIEESQSA-N 354.366 1.126 50 40 FDGB COc1ccc(NCC(=O)NNC(=O)c2ccc(-n3cccn3)nc2)cc1 12736443 FFBCYCSOWHFBNA-UHFFFAOYSA-N 366.381 1.149 50 40 FDGB CC(C)c1c(C(=O)N/N=C2\CCc3ccccc32)nnn1-c1nonc1N 5071753 BWLDMFLDGXMDRL-XDHOZWIPSA-N 366.385 1.436 50 40 FDGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1=NNC(=O)CC1 6507330 AUGANRKOIKHKBS-UHFFFAOYSA-N 357.395 1.146 50 40 FDGB CN(C)N(C(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 8939295 UBOSDZKYWZDWBT-LLVKDONJSA-N 366.361 1.691 50 40 FDGB O=C(Nc1cccc(O)c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408689274 YAHSSXJXSCUMMY-GRRRKWKPSA-N 352.184 1.902 50 40 FDGB N#C/C(=C/c1cc([N+](=O)[O-])cc(Br)c1O)C(=O)NC(N)=O 409251818 QIGFMISCSKSOCZ-BHQIHCQQSA-N 355.104 1.165 50 40 FDGB COC(=O)N(C)CC(=O)OCC(=O)N/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C 104189378 MZTYKFIATVBOLN-JOYUOTMVSA-N 353.419 1.546 50 40 FDGB Cc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)c(C)c2)c(C)c1 46319651 ONZDTFIGRUUDJG-UHFFFAOYSA-N 350.382 1.662 50 40 FDGB O=C(CN1C(=O)COc2ccccc21)NNC(=O)c1c[nH]c2ccccc12 17523140 YZRRATJZGHVVSX-UHFFFAOYSA-N 364.361 1.355 50 40 FDGB Cc1ccc(C(=O)NNC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 9835580 NQTXILQOYBVNEM-UHFFFAOYSA-N 356.382 1.400 50 40 FDGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(N)=O 83292778 JWEOBDGUJORQIS-MTJSOVHGSA-N 355.394 1.642 50 40 FDGB CCCCCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12985305 OOXWPYCSBASICY-UHFFFAOYSA-N 367.471 1.812 50 40 FDGB COc1ccc(C(=O)N/N=C(\C)CC(=O)NC[C@@H]2CCCO2)cc1OC 18093743 RRCSQOXLAIHJIV-PVGUKEHMSA-N 363.414 1.495 50 40 FDGB CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1C)=C\c1ccccc1 1058418 OHNPBMOXAPLPFH-FSTQYXDXSA-N 352.358 1.360 50 40 FDGB Cn1c(CC(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)nc2ccccc21 102372024 OXPNHHWMSOLOHS-SGMGOOAPSA-N 357.483 1.800 50 40 FDGB CCCc1nc2c(o1)NC(N)=C(C#N)[C@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 8783368 GFDVEQGIPYZKOE-KRWDZBQOSA-N 366.337 1.893 50 40 FDGB CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(O)cc2)cc1 3250484 KNPJZYGPZYAQGH-UHFFFAOYSA-N 364.379 1.192 50 40 FDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1OC 2438809 DJURJOVIWKBJTK-MRXNPFEDSA-N 353.378 1.929 50 40 FDGB COc1cccc(/C=N/NC(=O)[C@H](c2ccncc2)N2CCOCC2)c1 20029302 SFJNHHBBRMERSR-SXZORUHJSA-N 354.410 1.614 50 40 FDGB N#C/C(=C/c1ccc(Br)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 33932265 NMEFTKNJZLTTOR-LWMSPQMPSA-N 369.240 1.659 50 40 FDGB C=CCc1cc(/C=N/NC(=O)CC#N)cc(OCC)c1OCC(=O)OC 4513440 QZVVMFXELIWLGL-RGVLZGJSSA-N 359.382 1.729 50 40 FDGB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNC(=O)c1ccccn1 8196462 WQZQGOLGMCUCLX-UHFFFAOYSA-N 370.453 1.565 50 40 FDGB COc1ccc(/C=N\NC(=O)COc2ccccc2)c(C(=O)O)c1OC 12436582 APAKHGTZIURENE-GRSHGNNSSA-N 358.350 1.931 50 40 FDGB O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ccccc12 2251508 ZOOKBPCIKWPQGY-UHFFFAOYSA-N 352.306 1.720 50 40 FDGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cn3nnnc3N)o2)cc1Cl 227149817 AJJSMCCTJQAUSB-CNHKJKLMSA-N 359.777 1.627 50 40 FDGB CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1 670626 OSAMGRTVAHMTHU-UHFFFAOYSA-N 355.350 1.808 50 40 FDGB C=CCN1C(=O)/C(=N\NC(=O)COc2ccccc2C#N)c2ccccc21 6456692 LDTOHIAJXXGLHP-NMWGTECJSA-N 360.373 1.990 50 40 FDGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C1/C(=O)N(C(C)C)c2ccccc21 6607773 BGZRSXWZMQXQSY-CAPFRKAQSA-N 370.369 1.375 50 40 FDGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 6647839 ITRJKVIFXHRCSG-FYJGNVAPSA-N 374.441 1.054 50 40 FDGB Cc1c(C(=O)N/N=C/c2ccc(C(C)C)cc2)nnn1-c1nonc1N 2338137 LLLWJJLAJZWXTO-QGMBQPNBSA-N 354.374 1.428 50 40 FDGB O=C(NNc1ncnc2c1cnn2-c1ccccc1)[C@@H](O)c1ccccc1 5348487 QKJNQWGAQLTZNP-INIZCTEOSA-N 360.377 1.992 50 40 FDGB COc1cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1O 31870571 YMGZCMFRFLEGFW-SCPBCGJWSA-N 358.350 1.700 50 40 FDGB O=C(CCCCC(=O)N/N=C/c1ccccn1)N/N=C/c1ccccn1 1555837 NDBAUJKCGQRXLR-JFMUQQRKSA-N 352.398 1.637 50 40 FDGB CCOC(=O)CC[C@H](NC(=O)N(CCCl)CCCl)C(=O)OCC 4803026 KUUQRDOEPCWRKX-NSHDSACASA-N 371.261 1.751 50 40 FDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@H]2CC[C@@H]1C2 101309842 DSLNZSKLJWYIQW-BZTOZACFSA-N 362.904 1.511 50 40 FDGB COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 12747463 ZXSKDHVAISBKTE-CYBMUJFWSA-N 371.368 1.648 50 40 FDGB CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2)s1 59498812 ZUWGJJHYGQKXCM-RQZCQDPDSA-N 361.427 1.921 50 40 FDGB CC1=C2c3ccccc3N(C(=O)/C=C\C(=O)O)[C@@H]2[C@H]2C(=O)OC(=O)[C@@H]2C1 104306440 FJSQBCXGDFKBPB-XZLYHVIESA-N 353.330 1.536 50 40 FDGB COc1ccc(SCC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1 408904273 HJQXCEJVOMVGEN-JMIUGGIZSA-N 373.434 1.802 50 40 FDGB O=C(CCC(=O)N1CCc2ccccc2C1)NNC(=O)c1cccc(F)c1 4700357 AVSJZRAVRPTFGU-UHFFFAOYSA-N 369.396 1.952 50 40 FDGB CC(C)CCO[C@@H](C)C(=O)NNC(=O)c1cc(Br)cn1C 71831391 YXUWOCMSGWPFLM-JTQLQIEISA-N 360.252 2.000 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C\c1cccc(O)c1)C1CCCCC1 35107939 DGKGCQVMXWXELI-BOPFTXTBSA-N 353.444 1.437 50 40 FDGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C\c1ccc(Cl)cc1 31871089 DPWHIYGVFCQPSF-JRLSWLOKSA-N 373.796 1.746 50 40 FDGB CCCCCNC(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 40051418 UPJNWWKGPBNRGQ-UHFFFAOYSA-N 357.414 1.477 50 40 FDGB COc1ccc(C(=O)NCC(=O)N/N=C(\C)c2cccc(N)c2)cc1OC 13282647 KDVLTOPQLRFEBG-WSDLNYQXSA-N 370.409 1.556 50 40 FDGB C[C@]1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)Cc2ccccc2C(=O)O1 40161978 LHJOUBVIDWOPRU-LJQANCHMSA-N 368.345 1.348 50 40 FDGB Cn1cccc1/C=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1 32576986 ZCHVUCSQXLKSSD-BKUYFWCQSA-N 373.888 1.946 50 40 FDGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1C 13254607 GDDDDQONKLDCKF-KFWWJZLASA-N 360.410 1.885 50 40 FDGB COc1ccccc1N1/C(=N/C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@@H]21 5341702 KASBDDHYTZIXMM-OULPBCPLSA-N 374.871 1.535 50 40 FDGB CCOC(=O)N1CCN(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)CC1 5489378 AYNYBOSKAAZZNC-DTQAZKPQSA-N 363.439 1.908 50 40 FDGB CC(=O)NNC(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S 5554929 DHAZXZFRLMYCJJ-RAXLEYEMSA-N 363.464 1.835 50 40 FDGB COc1ccc(-c2ccc(CCC(=O)NNC(=O)C(=O)NC(C)C)o2)cc1 9722458 IJAPQRQDSSGDTQ-UHFFFAOYSA-N 373.409 1.560 50 40 FDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408612708 XGCTUFFVFPKASW-SSDVNMTOSA-N 373.384 2.000 50 40 FDGB COc1ccccc1C(=O)NNc1nnc(Cc2ccc(C)cc2)c(=O)[nH]1 7424205 GQOUKFSYWSEKKJ-UHFFFAOYSA-N 365.393 1.830 50 40 FDGB CC(C)(C)OC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7787221 BKNFGNOZKRLJJV-UHFFFAOYSA-N 369.443 1.641 50 40 FDGB Nc1nnc(CC(=O)N/N=C/c2cc(Br)ccc2O)s1 806027 QEORLJYDSIGZRH-LHHJGKSTSA-N 356.205 1.281 50 40 FDGB O=S1(=O)C[C@@H](Cl)[C@@H](NS(=O)(=O)Cc2ccccc2Cl)C1 4782953 KXFSWAGUYCTARI-MNOVXSKESA-N 358.268 1.164 50 40 FDGB C=CCN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 100903117 MHLRZJYBHHLMOK-STIUTOJCSA-N 363.373 1.880 50 40 FDGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccs2)cc1 6545091 BRIOPCGRWCAGOA-MHWRWJLKSA-N 367.452 1.528 50 40 FDGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(N)=O 1086214 SSNWRQJHNQELEH-MRXNPFEDSA-N 369.381 1.199 50 40 FDGB C=CCOc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1OC 12667013 FUQPNMHWYFZPEJ-UHFFFAOYSA-N 358.398 1.535 50 40 FDGB O=C(N/N=C/c1cccnc1)c1cccc(S(=O)(=O)N2CCCC2)c1 2661832 ZPAPWLMNAMABSA-CPNJWEJPSA-N 358.423 1.630 50 40 FDGB CCc1ccc(OCC(=O)NNC(=O)COc2ccc(OC)cc2)cc1 5877810 VCNGGRBXXVYHIL-UHFFFAOYSA-N 358.394 1.863 50 40 FDGB C#CCN1C(=O)/C(=N\NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 18168990 RDEHHMKZIPFZIM-VVDBFAKWSA-N 361.357 1.327 50 40 FDGB Cc1cc(C)nc(NNC(=O)CCC(=O)N2CCc3sccc3C2)n1 55740371 DFXAIBLZLQJWSR-UHFFFAOYSA-N 359.455 1.963 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 1022170 OBHKTKHEHOGZLQ-VCHYOVAHSA-N 357.322 1.911 50 40 FDGB CCc1c(C)nc(SCC(=O)NNC(=O)C2CCCCC2)[nH]c1=O 5021633 FKLCJONICYVCGC-UHFFFAOYSA-N 352.460 1.461 50 40 FDGB COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)cc1 20210196 HNFPJOAHFIHSDN-MHWRWJLKSA-N 367.452 1.673 50 40 FDGB COc1cccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 101313708 FPOZLAHCCBXPOF-DDGKQPTKSA-N 374.871 1.535 50 40 FDGB Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 68933379 DFCMZMJHKDBQDS-CYBMUJFWSA-N 355.369 1.948 50 40 FDGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccco2)CC1 409063253 JLCNLBVFOPYGRZ-PDGQHHTCSA-N 357.370 1.704 50 40 FDGB CS(=O)(=O)[C@@H](I)[C@H](O)c1cccc([N+](=O)[O-])c1 96519177 YROABAIEPSXDHW-RKDXNWHRSA-N 371.152 1.434 50 40 FDGB O=C(CCN1CCN(c2ccccc2)CC1)N/N=C\c1ccc(O)cc1O 95532697 JJXHERZCVKUFPB-QNGOZBTKSA-N 368.437 1.760 50 40 FDGB COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 3058233 QPFNFFKYRZERFH-ZICWZVMQSA-N 371.393 1.737 50 40 FDGB O=C(NCCCN1CCOCC1)NNc1ccc(OC(F)(F)F)cc1 79066111 MOCPKYZXWLQGHF-UHFFFAOYSA-N 362.352 1.934 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1ccccc1Cl 20209289 HLTQJCHOABCTAW-VCHYOVAHSA-N 366.830 1.651 50 40 FDGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc([N+](=O)[O-])c1 1879984 CBUQBSFRLVGOKH-FRKPEAEDSA-N 358.266 1.996 50 40 FDGB CCCCn1c(SCC(=O)NNC(=O)c2ccccc2F)n[nH]c1=O 12853506 WPZFLXWEDXMDQS-UHFFFAOYSA-N 367.406 1.064 50 40 FDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1NC(C)=O 16123786 DDTDXYBWPMNLEJ-UHFFFAOYSA-N 363.395 1.277 50 40 FDGB O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccc(Cl)cc1 23080089 JCLHPJWICWJDHR-UHFFFAOYSA-N 370.796 1.970 50 40 FDGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1 5951865 VFVHCNBZBQDSML-CAOOACKPSA-N 372.219 1.530 50 40 FDGB CN(CCO)c1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 6405653 AYQYXFVYPZWEKZ-BAOGCXAUSA-N 355.394 1.405 50 40 FDGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(F)c3)CC2=O)cc1 408614271 AKBLVAONHGSCGK-CQSZACIVSA-N 355.369 1.948 50 40 FDGB CC1=C(C)C[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)[C@@H](C(=O)O)C1 5523263 BKHMQVPIQXGNBU-STQMWFEESA-N 360.366 1.624 50 40 FDGB COC(=O)c1cc(C(=O)NNC(=O)c2ccccc2O)cc([N+](=O)[O-])c1 8039347 OWROHEPOBAAQOH-UHFFFAOYSA-N 359.294 1.162 50 40 FDGB COc1ccc(/C=C/C(=O)NNC(=O)CO/N=C/c2ccccc2)cc1 6170345 FOURCVCRTRDIJT-UKRUMFJESA-N 353.378 1.907 50 40 FDGB O=C(CCl)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851682 XVLHRQYTERYJBA-UHFFFAOYSA-N 371.832 1.157 50 40 FDGB CCCCCOC[C@H]1C[C@@](C/C(C)=N/NC(N)=O)(C(=O)OCC)C(=O)O1 4426926 RSCVNKXOCMEVHO-MBAIRWCBSA-N 371.434 1.493 50 40 FDGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3F)C2=O)cc1 5859714 CVKFMPBNCOSSBE-OAHLLOKOSA-N 357.341 1.401 50 40 FDGB O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1ccc(NC(=O)C2CC2)cc1 17076421 YCEDKBMRXBWBFZ-HUUCEWRRSA-N 373.409 1.687 50 40 FDGB CC1(C)O[C@@H]2O[C@H](CI)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 5203115 JMIGDGVTFPSEMQ-IGORNWKESA-N 370.183 1.818 50 40 FDGB O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1O 30571965 UFFSCFVPWQHZLX-GFCCVEGCSA-N 357.366 1.299 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 58885045 AXZRUUBVSRHKPF-VCHYOVAHSA-N 372.337 1.701 50 40 FDGB COc1ccc(/C=C(\C#N)C(=O)OCCNC(=O)c2ccncc2)cc1 3172903 WATFBQMLOMKRER-FOWTUZBSSA-N 351.362 1.970 50 40 FDGB O=C(COc1cccc(Cl)c1)NNC(=S)NC(=O)c1ccco1 2096261 JWDSVERPYSKGET-UHFFFAOYSA-N 353.787 1.648 50 40 FDGB COc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 101318853 MKSWTSQCWGEULM-AZNAFKMUSA-N 374.871 1.535 50 40 FDGB CCCCCOC[C@@H]1C[C@@](C/C(C)=N/NC(N)=O)(C(=O)OCC)C(=O)O1 4426923 RSCVNKXOCMEVHO-GLDCQHFTSA-N 371.434 1.493 50 40 FDGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C1CCCCC1 5199556 JSZLLLGUFNQMFF-UHFFFAOYSA-N 358.486 1.926 50 40 FDGB COC(=O)[C@@](NC(=O)c1ccc(C)cc1)(/C(C#N)=C(\C)N)C(F)(F)F 96585586 CUZHMFZNCDETNI-PABFRNLHSA-N 355.316 1.955 50 40 FDGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)c1 59515472 OOFRTIJZANIUOI-YBFXNURJSA-N 357.366 1.801 50 40 FDGB COc1ccccc1/C=N\NC(=O)CN(C1CCCCC1)S(C)(=O)=O 107698076 DNYMLRPEJKCORJ-PDGQHHTCSA-N 367.471 1.740 50 40 FDGB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NN)C1 408701057 QPLVCUJSDVNEDP-JTQLQIEISA-N 361.851 1.129 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1 4656963 VIIKRZCDKSVAPA-UHFFFAOYSA-N 369.421 1.618 50 40 FDGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1cccc(C)c12 17143945 AYDOPODWYZVISL-LJQANCHMSA-N 351.362 1.912 50 40 FDGB COc1cccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)c1 20210005 WSDZZKBYIPVZTI-WOJGMQOQSA-N 362.411 1.007 50 40 FDGB COc1ccc(CC(=O)NN[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 100153800 RXKWXFGFUOURII-INIZCTEOSA-N 371.368 1.330 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O 59434527 CPTZBUFBBGWBIC-LZYBPNLTSA-N 360.282 1.981 50 40 FDGB C[C@]1(C(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1Br 2317135 NBMGJWLWWFZCMH-VKNKMKLNSA-N 368.187 1.929 50 40 FDGB C=CCN1C(=O)/C(=C/NNC(=O)c2ccccc2Cl)C(O)=NC1=S 8969367 WGCYOJLPTYZPDJ-CSKARUKUSA-N 364.814 1.728 50 40 FDGB CCc1cc2c(=O)n(CC(=O)N/N=C\c3ccccc3O)cnc2s1 4464294 RPOCISAFTYQLDF-UWVJOHFNSA-N 356.407 1.876 50 40 FDGB CCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(C)cc2)c1 12521285 DECZCMJEEGCONK-UHFFFAOYSA-N 361.423 1.831 50 40 FDGB COc1cc(/C=N/NC(=O)c2c(O)c3ccccc3n(C)c2=O)ccc1O 100730138 XTQBKNNAULZEDZ-KEBDBYFISA-N 367.361 1.722 50 40 FDGB CC(=O)NCCC(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 3316739 CBMBULYQCRPKIE-UHFFFAOYSA-N 366.377 1.782 50 40 FDGB N#CC1=C(N)Oc2nc(=O)[nH]c(O)c2[C@@H]1c1ccc(Br)cc1 2204647 GBROIDUZYDLBLJ-SECBINFHSA-N 361.155 1.456 50 40 FDGB COCCOC1=C(C(C)=O)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 49947124 XCYPOSFRUFLCMN-GOSISDBHSA-N 355.350 1.064 50 40 FDGB COc1ccc(/C=N/NC(N)=O)cc1OS(=O)(=O)c1ccc(C)cc1 2795039 RLGWNOHKVMVIMY-VCHYOVAHSA-N 363.395 1.774 50 40 FDGB O=C(NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1ccc(Br)o1 104186638 DEVBDPVDCFRFSB-AGNRWKBWSA-N 371.187 1.550 50 40 FDGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334302 HDTCFPNSWJKBJX-WZUFQYTHSA-N 352.774 1.896 50 40 FDGB Cn1nc(C(=O)NNC(=O)c2cccc(Cl)c2)c2ccccc2c1=O 3395451 VYIZMGKPGFYIGV-UHFFFAOYSA-N 356.769 1.662 50 40 FDGB CNc1snc(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1 8777176 JBXVHGOFAALXPW-UHFFFAOYSA-N 362.411 1.420 50 40 FDGB CCCC[C@H](CCC(=O)NNC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)O 26807792 ZNQCKRJYZJVBAE-CYBMUJFWSA-N 365.386 1.956 50 40 FDGB O=S1(=O)C[C@H](Cl)[C@H](SS[C@@H]2CS(=O)(=O)C[C@@H]2Cl)C1 5002944 DZTDXYWZVGSPLW-RULNZFCNSA-N 371.354 1.177 50 40 FDGB COc1ccc(OC)c(/C=C/C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1 5298363 QSPQKSZWGLUHMJ-GPAKFWEMSA-N 368.455 1.209 50 40 FDGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1[N+](=O)[O-] 4508664 FAQZNCKGBPZXEW-UHFFFAOYSA-N 356.338 1.775 50 40 FDGB Cc1ccccc1C(=O)NCCC(=O)NNC(=O)c1ccc2c(c1)OCO2 7957593 CNGUMWGHEWADCD-UHFFFAOYSA-N 369.377 1.305 50 40 FDGB N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 97959669 XJIVNXIIFPRRQK-VZUCSPMQSA-N 355.313 1.997 50 40 FDGB O=C(NNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 53758426 NEVFXGRSTQVMEJ-JTQLQIEISA-N 356.209 1.904 50 40 FDGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1cccnc1 15085063 ZLPBOPCASMGJGA-VIFPVBQESA-N 352.379 1.639 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 7927972 FQMXWVGFWKXFFF-ZDUSSCGKSA-N 368.349 1.409 50 40 FDGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 6339753 JFYGFUCQEDGLCQ-KBPBESRZSA-N 361.398 1.444 50 40 FDGB CCCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2ccco2)cc1 6603065 BXSMMSIPSAUTQJ-UHFFFAOYSA-N 359.382 1.650 50 40 FDGB COc1ccc(NCC(=O)NNC(=O)CCc2nc(C(C)C)no2)cc1 72278405 VOASQUACHRICTH-UHFFFAOYSA-N 361.402 1.394 50 40 FDGB Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)NN=C1CCCCC1 25764027 JUHUUIVBIKEHJX-UHFFFAOYSA-N 366.385 1.949 50 40 FDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1 223159312 HFHZPTOUHKUPIH-ZDLGFXPLSA-N 370.321 1.470 50 40 FDGB COC(=O)c1cnn(C)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253396279 DNILTHRZAXEERC-CYBMUJFWSA-N 356.382 1.658 50 40 FDGB CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1 15904472 BRLRLAPWRZQNEP-LBPRGKRZSA-N 357.366 1.492 50 40 FDGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(I)cc1 3058104 SOOLAVMBASFJQV-OQLLNIDSSA-N 373.194 1.610 50 40 FDGB CCc1sc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)cc1C 7652478 XVYBMDNAZZOXCD-UHFFFAOYSA-N 363.414 1.949 50 40 FDGB O=C(Cc1ccc2c(c1)OCO2)NNC(=O)CN1CCCc2ccccc21 89861072 CUJQNCZMFJGXBO-UHFFFAOYSA-N 367.405 1.558 50 40 FDGB COCCNS(=O)(=O)c1ccc(C(=O)NN(C)c2ccccc2)cc1 32865877 ISEMTKNFNRDYDL-UHFFFAOYSA-N 363.439 1.393 50 40 FDGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1COc2ccccc2O1 32967490 WRYSKWQGJFEHEU-QGZVFWFLSA-N 351.362 1.698 50 40 FDGB C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(F)cc3)cc2C1=O 7609326 HLIJLWXOJFCYKQ-UHFFFAOYSA-N 367.336 1.683 50 40 FDGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1ccc(O)cc1 408732153 SVADFWDOQRLWQS-VIZOYTHASA-N 353.791 1.114 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1OC 9114165 TUXAHXXFYRMNQX-UHFFFAOYSA-N 368.187 1.869 50 40 FDGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@H]1C[C@@H]2CC[C@H]1C2 1062965 JNWDNRBBPAVRMA-XUJVJEKNSA-N 371.466 1.080 50 40 FDGB O=C(CNC(=O)OCc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 3089227 QGKRFUKCXJOURB-VXLYETTFSA-N 356.338 1.971 50 40 FDGB Cc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)cc1C 20208665 WCDDEBRBRLSKNE-YBFXNURJSA-N 360.439 1.615 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1O 409263142 ALZPUMCSFGCNQG-YBFXNURJSA-N 351.403 1.172 50 40 FDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccco2)c2ccccc21 5564161 HEAPHPWHFLVDQG-PGMHBOJBSA-N 354.366 1.287 50 40 FDGB Cc1ccc(OCCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 7785498 LHETVKNXVLTXDJ-UHFFFAOYSA-N 356.378 1.768 50 40 FDGB COc1cc(/C=N/NC(=O)CNC2CCCCC2)c(O)c([N+](=O)[O-])c1 409388159 UOZKAQBCUCFJHT-GIJQJNRQSA-N 350.375 1.681 50 40 FDGB CS(=O)(=O)[C@@H](I)C(=O)c1cccc([N+](=O)[O-])c1 96517916 PVDZIYITYHQUHQ-SECBINFHSA-N 369.136 1.583 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(OC)c1 5513324 KUGHLHZISGVLMM-VCHYOVAHSA-N 372.337 1.701 50 40 FDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc([N+](=O)[O-])ccc1O 36024604 ALXSTFKKYVMBAO-RQZCQDPDSA-N 367.325 1.104 50 40 FDGB COC(=O)CN1C(=O)/C(=N/NC(=O)Cc2ccccc2)c2ccccc21 95481328 UHKYNTSRQWUQRK-DYTRJAOYSA-N 351.362 1.269 50 40 FDGB CCS(=O)(=O)[C@H](I)C(=O)c1ccc(N)cc1 96517951 BYFWNEUSQSNMOP-JTQLQIEISA-N 353.181 1.647 50 40 FDGB NNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21 1829375 ACXXOPXBWJSGGQ-SDCWGCLJSA-N 354.454 1.464 50 40 FDGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1c[nH]c2ccccc12 7007725 ZSINXUNLZMALMD-UHFFFAOYSA-N 373.390 1.562 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 7428711 ZACURQHXAAXYRT-UHFFFAOYSA-N 356.306 1.317 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 408878491 BJVGQCQRYUWRID-YEWRBRKMSA-N 370.361 1.529 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)CNc2cccc(OC)c2)cc1OC 8708222 KCJVIOMJXIPFQD-UHFFFAOYSA-N 373.409 1.976 50 40 FDGB Nc1c(C(=O)NNC(=S)NC[C@H]2CCCO2)sc2ncccc12 19894300 GXKYYUNKFPCNSE-MRVPVSSYSA-N 351.457 1.166 50 40 FDGB CC1(CC(=O)N/N=C/c2ccccc2I)OCCO1 1090939 KYPRDNSJYBRVRN-OQLLNIDSSA-N 374.178 1.894 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 58880765 JTQWSXGFEMQESH-RGVLZGJSSA-N 369.377 1.636 50 40 FDGB COc1cc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2OC)ccc1O 59433974 HJLXHXSPRBCIIO-VXLYETTFSA-N 357.366 1.807 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1F)c1ccc2c(c1)OCCO2 12944319 OHCVCXXAJNSKHK-UHFFFAOYSA-N 352.343 1.220 50 40 FDGB CC(C)/C=C(\C#N)C(=O)N1CCC([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)CC1 585289230 GJVXAJORZSVBRX-PEYKTAIQSA-N 360.458 1.765 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)cc1OC 59459667 XJWUCOIFBVTRDA-VXLYETTFSA-N 373.365 1.507 50 40 FDGB O=C(NNC(=O)c1cnn(-c2ccccc2)c1)c1ccc2c(c1)OCO2 8141496 NFSOGHLSGRRNSL-UHFFFAOYSA-N 350.334 1.676 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C 252510217 ZETAONHCSQGZRK-JIURPICXSA-N 351.342 1.300 50 40 FDGB CCOc1ncccc1C(=O)NNC(=O)CN1CCCc2ccccc21 12606713 HDIZGLHXFJOOKO-UHFFFAOYSA-N 354.410 1.694 50 40 FDGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccco1 408532983 IZJQZEKDQDUADV-SUDUWZNWSA-N 374.740 1.548 50 40 FDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1 223159260 UEYKFKQFBWHANK-ZDLGFXPLSA-N 370.321 1.470 50 40 FDGB CCOc1ccccc1OCC(=O)NNC(=O)COc1ccccc1C 12749946 PTGHJSQSVLVNOK-UHFFFAOYSA-N 358.394 1.999 50 40 FDGB Cc1cc(C)nc(NNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)n1 40037679 VOXBTFITUPJJCW-UHFFFAOYSA-N 357.458 1.869 50 40 FDGB CC(C)N1C(=O)[C@@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2ccccc21 79464583 GFPXOQSSRYHEBZ-HXUWFJFHSA-N 364.405 1.566 50 40 FDGB O=C(COCC(=O)N/N=C/c1cccs1)N/N=C/c1cccs1 2897356 YIVDPJBVBNYJQU-BGPOSVGRSA-N 350.425 1.427 50 40 FDGB C[C@@H]1Oc2ccccc2C=C1/C=C(\C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 4193252 UQGVQWDRJWTPPX-VKDJDKKASA-N 358.419 1.604 50 40 FDGB CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)CC#N 5598198 DSSNVQKLEPBZDE-CAOOACKPSA-N 368.187 1.755 50 40 FDGB Cc1noc(C)c1S(=O)(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 14241113 PBAXARQSSHWYSX-UHFFFAOYSA-N 353.444 1.817 50 40 FDGB O=C(NCCCl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408861014 KUHKSZGGBDXYJN-GFCCVEGCSA-N 351.255 1.848 50 40 FDGB Cc1nn(CC(=O)N/N=C/c2c(C)nn(C)c2F)cc1Br 252508299 XJNVFDXDGPJWNC-SYZQJQIISA-N 357.187 1.285 50 40 FDGB Cc1ccc(F)cc1NNC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1640378564 MZLPMEHAKHAQMK-GOSISDBHSA-N 356.357 1.946 50 40 FDGB CCOc1c(I)cc(/C=C/C(=O)NN)cc1OC 226365625 KJWHMILSRDMIJY-SNAWJCMRSA-N 362.167 1.702 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 7783637 UVSAHUYMTQYMDP-YBFXNURJSA-N 356.338 1.370 50 40 FDGB Cc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccccc1 59566505 RZCDTIDZGIQPKL-YPKZHZFPSA-N 368.437 1.839 50 40 FDGB COc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c(OC)c1 4702500 NPTBAOWCQOKQLU-YBFXNURJSA-N 366.381 1.508 50 40 FDGB COc1ccc(C(=O)NNC(=O)CSc2nncs2)cc1OC 9376192 QFKPELRJUFYQLM-UHFFFAOYSA-N 354.413 1.109 50 40 FDGB COc1ccc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)cc1OC 408778713 XEVZOBJVNUXNGY-UHFFFAOYSA-N 369.443 1.516 50 40 FDGB CC1(C)O[C@@H]2O[C@@H](CI)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 5203114 JMIGDGVTFPSEMQ-OEZYJKACSA-N 370.183 1.818 50 40 FDGB Cn1nc(C(=O)NNC(=O)Cc2ccc(F)cc2)c2ccccc2c1=O 15940150 DSFUBAMVMUKMCA-UHFFFAOYSA-N 354.341 1.076 50 40 FDGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCC(N)=O 409197825 PQRGGQOLHXEMPS-XHADFYDMSA-N 366.377 1.317 50 40 FDGB Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 575426336 RFNQKMDWFCXTHJ-NXEZZACHSA-N 358.268 1.331 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 674445 DYOHHVJSVDPSGP-UHFFFAOYSA-N 373.434 1.967 50 40 FDGB CO[C@H](CCN1C(=O)c2ccccc2C1=O)[C@H](Br)CC(=O)O 1707409 BLORCHRNDPWCOI-VXGBXAGGSA-N 370.199 1.926 50 40 FDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C[C@@H]1C=CCC1 12702154 JAWZYMJGGDZIQX-GFCCVEGCSA-N 350.444 1.405 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)c2cc3c(nc4sccn43)s2)n1 7138762 IATLRHGCJHSTJX-UHFFFAOYSA-N 374.451 1.885 50 40 FDGB O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1ccc(O)cc1O 9720853 FUUNYTXWXMPYEQ-LZYBPNLTSA-N 360.282 1.607 50 40 FDGB O=C(CCl)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 3249564 REZHDQABWKAELK-WUXMJOGZSA-N 368.798 1.807 50 40 FDGB Cn1cc(C(=O)NNC(=S)Nc2ccc(Br)cc2)nn1 1775969131 YQLMOXPCAXXJSC-UHFFFAOYSA-N 355.221 1.209 50 40 FDGB Cc1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 3555142 UXFCHLUJMVCIJG-UHFFFAOYSA-N 351.362 1.442 50 40 FDGB O=C(NNC1=NCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 5574013 IUKYQHIEPAGFLF-UHFFFAOYSA-N 350.444 1.288 50 40 FDGB Cc1cc(C)c(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c(C)c1 8704758 UHMOEIRNMMTZKK-UHFFFAOYSA-N 362.407 1.964 50 40 FDGB COc1ccc(/C=N/NC(=O)CSc2nnnn2-c2ccccc2)cc1 1501804 YZYPRSNWZVQNIB-WOJGMQOQSA-N 368.422 1.913 50 40 FDGB Cc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1 16348941 WXXJCZMZXXQNMN-YBFXNURJSA-N 363.414 1.905 50 40 FDGB O=C1c2ccccc2C(=O)N1OCCOCCOCCBr 2699744 BUELHHYRHQBSKV-UHFFFAOYSA-N 358.188 1.642 50 40 FDGB CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccncc2)c1 6358507 SGTMILAHBJPVQC-UHFFFAOYSA-N 358.423 1.818 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 28717403 JEOAZEVPVMROFH-UHFFFAOYSA-N 368.187 1.626 50 40 FDGB COc1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1[N+](=O)[O-] 3451864 PHSHFEGIUNUBCI-UHFFFAOYSA-N 363.301 1.583 50 40 FDGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCC(=O)O 409233498 KVASSFDFNRSJGV-JMIUGGIZSA-N 360.341 1.991 50 40 FDGB COc1cccc(/C=C(/C#N)C(=O)N2CCOCC2)c1O[C@@H](C)C(=O)O 409250129 MKFVJOARGSTEQG-GVIGZQTCSA-N 360.366 1.313 50 40 FDGB COc1ccc(C)c(N2C(=O)C[C@@H](NNC(=O)c3ccccc3)C2=O)c1 100118403 BVQMFJKILCFWRE-OAHLLOKOSA-N 353.378 1.570 50 40 FDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1O 2397615 TUWWZUOABQZSJU-CNHKJKLMSA-N 351.746 1.414 50 40 FDGB CCCOc1ccc(CCC(=O)N/N=C/[C@H]2C(=O)NC(=O)N[C@H]2C)cc1 106963356 HNJBKAQBEVIUKP-RFLFYYRFSA-N 360.414 1.354 50 40 FDGB COc1cccc(N2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 5369436 FPOZLAHCCBXPOF-XTJHUYNNSA-N 374.871 1.535 50 40 FDGB Cn1cc(Br)cc1C(=O)NNC(=O)c1cc(Cl)ccn1 9498493 UWBZGAUXNRFVRK-UHFFFAOYSA-N 357.595 1.911 50 40 FDGB Cc1ccccc1CN(CC(=O)NN)S(=O)(=O)c1ccc(Cl)cc1 409063326 KPAZEWQTSNLCCD-UHFFFAOYSA-N 367.858 1.829 50 40 FDGB CCS(=O)(=O)[C@@H](I)[C@H](O)c1ccc(OC)cc1 96519301 IATDOIZUWSSELG-GHMZBOCLSA-N 370.208 1.924 50 40 FDGB O=C(NNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 53758423 NEVFXGRSTQVMEJ-SNVBAGLBSA-N 356.209 1.904 50 40 FDGB COc1cc(NC(=O)C(=O)NNC(=O)c2ccco2)c(OC)cc1Cl 4893193 VOUNNBMVKLAWMO-UHFFFAOYSA-N 367.745 1.350 50 40 FDGB Cn1cc(C(=O)NNS(=O)(=O)c2ccccc2C#N)c2ccccc21 12565513 LKVWALAUYKPILJ-UHFFFAOYSA-N 354.391 1.673 50 40 FDGB CCOc1ccc(S(=O)(=O)NNC(=O)c2ccco2)cc1OCC 9691262 VFWDUUSMSUIURM-UHFFFAOYSA-N 354.384 1.700 50 40 FDGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1O 2676314 VCBXULXQUBVMSB-LZYBPNLTSA-N 360.282 1.981 50 40 FDGB COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(OC)c(OC)c2)C1=O 9344748 IOMAXKFAPWVCKM-PTNGSMBKSA-N 371.393 1.855 50 40 FDGB O=C(NNC(=O)c1cc2ccccc2oc1=O)c1cccc([N+](=O)[O-])c1 841021 GCFRWXAYHNUZNY-UHFFFAOYSA-N 353.290 1.776 50 40 FDGB CC1(C)C(c2cccs2)=[N+]([O-])[C@]2(CCCC/C2=N\NC(N)=O)N1O 7787376 XCJXAWQBDVURJV-QAEAHILHSA-N 351.432 1.826 50 40 FDGB COc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O 7882386 IBGUOTASKGJDRO-AWEZNQCLSA-N 353.378 1.509 50 40 FDGB CCNC(=S)NNC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C 3446084 VEGTUXSNAGPMMM-AWEZNQCLSA-N 350.488 1.655 50 40 FDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(F)c2)c2ccccc21 6081369 AZFZEADKMCPKKI-QJOMJCCJSA-N 368.368 1.443 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 6646041 ORPBFDGVXGHEFE-GKXUUXLPSA-N 365.389 1.976 50 40 FDGB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NN 66324364 BNWKEPQGDYWPFC-UHFFFAOYSA-N 353.835 1.779 50 40 FDGB CCn1c(C)nc2cc(C(=O)NNC(=S)NC[C@@H]3CCCO3)ccc21 7522674 ULOPZUNLCJJLCM-ZDUSSCGKSA-N 361.471 1.653 50 40 FDGB CCn1c(NNC(=O)Cn2c(C)csc2=O)nc2ccccc2c1=O 9857351 RWCDWFKRVMYLEN-UHFFFAOYSA-N 359.411 1.091 50 40 FDGB COc1cccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)c1 408865095 AZMVXEUZQPCEHA-WOJGMQOQSA-N 362.411 1.007 50 40 FDGB COc1cccc(/C=N/NC(=O)CNC(=O)CCc2ccccc2)c1O 2280069 YNFUNHNCAJXLHK-CIAFOILYSA-N 355.394 1.600 50 40 FDGB O=C(NNC(=S)NCc1ccccc1)c1n[nH]c(=O)c2ccccc12 15873240 LDJUHYQTVNVFRQ-UHFFFAOYSA-N 353.407 1.232 50 40 FDGB COc1ccc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)cc1OC 706951 BLCPSKJZUBJVIH-UFFVCSGVSA-N 366.377 1.564 50 40 FDGB Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 6527272 SFDGPWMFZGYWFR-NGYBGAFCSA-N 353.294 1.346 50 40 FDGB COc1ccccc1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@@H]21 101307164 KASBDDHYTZIXMM-AAQDIZQESA-N 374.871 1.535 50 40 FDGB O=C(NN=C1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1n[nH]c(=O)c2ccccc12 100699719 QRLNDHHASUNKJI-HHKDXBEKSA-N 352.394 1.580 50 40 FDGB O=C(CCC(=O)N1CCCCCC1)NNC(=O)Cn1ccc2ccccc21 4560714 PBHAKLHNGSDHSC-UHFFFAOYSA-N 370.453 1.972 50 40 FDGB Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 7518847 PPYPXUSMFBFMRK-UHFFFAOYSA-N 352.460 1.552 50 40 FDGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCC(N)=O 408801606 UWJQAIWILJZXHJ-NTEUORMPSA-N 361.398 1.009 50 40 FDGB Cc1c(C(=O)NC(=S)NNC(=O)c2cccs2)cccc1[N+](=O)[O-] 32118577 QRQVFRZBNZZHCW-UHFFFAOYSA-N 364.408 1.914 50 40 FDGB COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NN)c1 225501278 QIHBIBWZHREXDI-UHFFFAOYSA-N 355.803 1.753 50 40 FDGB COc1cccc(/C=N/NC(=O)c2nc3ccccc3c(=O)[nH]2)c1OC 6160575 HNZONQUWJPMZKM-VXLYETTFSA-N 352.350 1.704 50 40 FDGB N#C/C(=C\c1cc(Br)ccc1O)c1nn(CCO)c(N)c1C#N 408721757 YCOCCVFAPQGWNV-BJMVGYQFSA-N 374.198 1.862 50 40 FDGB CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](SC#N)[C@H]1O 5049477 WBOSEENYEKDFPW-SFTQSGBHSA-N 354.340 1.067 50 40 FDGB Cc1cc(C)nc(NNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)n1 40030797 MQLSXQSZKAQQNF-LLVKDONJSA-N 367.406 1.043 50 40 FDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C1 20763939 RTUXDMYLNAZMSS-NVXWUHKLSA-N 360.377 1.950 50 40 FDGB CCOC(=O)NNC(=O)c1cccn2c(I)cnc12 79021755 IZIBDUYXNPIUDR-UHFFFAOYSA-N 374.138 1.330 50 40 FDGB O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCCBr 4613803 MZMDVFMGPYFYAM-UHFFFAOYSA-N 355.213 1.375 50 40 FDGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 15145601 ZSCZAQSGRNAKJD-KEBDBYFISA-N 351.366 1.271 50 40 FDGB O=C(O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2cccnc2)c1 13345644 HWCNZKVQUXHMPF-UHFFFAOYSA-N 355.759 1.057 50 40 FDGB COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 142842 QQIVJMDYBWFEKB-NEPJUHHUSA-N 350.371 1.112 50 40 FDGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(OC)c(OC)c(OC)c1 1004536 ZILUCLILGJWTSX-OAHLLOKOSA-N 360.366 1.967 50 40 FDGB CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)N(C)c3ccccc32)C(C#N)=C(N)O1 1243472 NYTKFQOAWGTHMY-IBGZPJMESA-N 353.378 1.850 50 40 FDGB O=C(N/N=C/c1cc2cc3c(cc2[nH]c1=O)OCO3)c1ccccc1O 9348219 SSOKAJBELVJUPV-UFWORHAWSA-N 351.318 1.726 50 40 FDGB CS(=O)(=O)c1ccc([C@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1 11680213 AYIRNRDRBQJXIF-ZJUUUORDSA-N 358.218 1.382 50 40 FDGB biogenic CN1C(=O)[C@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cc(Cl)ccc21 79490876 SJFUCRDADSXXPH-SFHVURJKSA-N 370.796 1.441 50 40 FDGB O=C(NNS(=O)(=O)c1ccc2c3c(cccc13)CC2)c1cccnc1 226861198 RHAHLIZHVUGLNQ-UHFFFAOYSA-N 353.403 1.957 50 40 FDGB COc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NN)cc1 5267519 YMMBTJFTVVKDIE-QGZVFWFLSA-N 352.394 1.508 50 40 FDGB CC(C)(C)NC(=O)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 4713750 ASLODTXSYOIDRR-UHFFFAOYSA-N 353.422 1.881 50 40 FDGB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCCBr)cc1 4616905 MLZAVXOTHINCLA-UHFFFAOYSA-N 355.213 1.375 50 40 FDGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cccnc2)CC1 8782808 QVWZTAOJUIDLQG-DEDYPNTBSA-N 368.397 1.506 50 40 FDGB COc1cccc(/C=N\NC(=O)N/N=C/c2cccc(OC)c2O)c1O 17311548 XRKAJPMKOXHUPA-MXYCIJPUSA-N 358.354 1.782 50 40 FDGB Cc1cccc(C(=O)NNC(=O)c2c(O)c3ccccc3n(C)c2=O)c1 100695633 VXOPKODTVDTKHL-UHFFFAOYSA-N 351.362 1.627 50 40 FDGB COc1cc(/C=N\NC(=O)c2sc(N)nc2C)cc(OC)c1OC 31854407 JANVEQMYWYPFNU-IDUWFGFVSA-N 350.400 1.823 50 40 FDGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1 22598248 NSKGRCNRJPUYGI-UHFFFAOYSA-N 357.391 1.646 50 40 FDGB CCn1nc(C(=O)NNC(=O)Cc2cccs2)c2ccccc2c1=O 6928567 DBMXPBOFNPGCSO-UHFFFAOYSA-N 356.407 1.482 50 40 FDGB Cc1cc(C)cc(O[C@@H](C)C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1 225655480 TVWVBTKSFTUENS-AUOOEQCUSA-N 372.421 1.741 50 40 FDGB CCn1nnc2cc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc21 8987500 OLHIOSZEVPMFNI-MRXNPFEDSA-N 367.365 1.052 50 40 FDGB Cc1nn(C)c(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 8828973 NSHMDJHUJARRMX-UHFFFAOYSA-N 368.806 1.922 50 40 FDGB CCCS(=O)(=O)[C@H](C)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 55111042 KJNDYSAXIADVHV-SFCYXTAJSA-N 356.488 1.564 50 40 FDGB COc1ccccc1C(=O)NN[C@H]1OC(=O)c2c1ccc(OC)c2OC 5375416 JQOXQUUBKOQHCH-KRWDZBQOSA-N 358.350 1.816 50 40 FDGB COc1ccc(OC)c([C@@H]2[C@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 19852440 VNPKAOSWPKGKIF-FUHWJXTLSA-N 361.405 1.717 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 59459753 BGFJCYMDANVLPV-ZGXHQARYSA-N 370.365 1.931 50 40 FDGB O=C(Cc1ccccc1C(=O)O)NNC(=O)Cc1ccccc1C(=O)O 65734873 UISUVRBOSHBUOK-UHFFFAOYSA-N 356.334 1.016 50 40 FDGB in-vitro O=C(NN[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O)c1ccncc1 18249398 MITPCIMPTSCBLV-CYBMUJFWSA-N 362.748 1.441 50 40 FDGB CN(NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccccc1 32899717 TWXNSUXGMRLWKP-IBGZPJMESA-N 370.384 1.760 50 40 FDGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)c1 20208252 WDBWYFJYYVXXNY-YBFXNURJSA-N 360.439 1.615 50 40 FDGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1O 58885052 BPHZTESSTQHHTM-RQZCQDPDSA-N 358.310 1.398 50 40 FDGB COc1ccc(C(=O)NNC(=O)CSc2nnc3ccccn23)cc1 8342985 PLTFCNWGWPBSOD-UHFFFAOYSA-N 357.395 1.291 50 40 FDGB CCCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 8569058 DXHQBAOVYBTKRC-UHFFFAOYSA-N 365.455 1.375 50 40 FDGB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NN(C)c1ccccc1 8776687 DOFKCPOSEZZQHD-GFCCVEGCSA-N 358.423 1.281 50 40 FDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 409264962 LYSPUQSNQNXYPW-LBBJYAOWSA-N 372.219 1.528 50 40 FDGB Cc1occc1C(=O)NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 2344325 FUGOAFZUORSDMI-UHFFFAOYSA-N 359.298 1.409 50 40 FDGB biogenic COc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1OCC(N)=O 1070035 DMLYGTYOBXZFPS-LSHDLFTRSA-N 370.409 1.430 50 40 FDGB COc1c(/C=N/NC(N)=S)c(C[C@H](C)Cl)c(OC)c2c1OCO2 15106242 RKKNAVSJXMZZCH-LUQBEEKHSA-N 359.835 1.769 50 40 FDGB COc1ccc(C(=O)NN[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 100142069 GJFUVWMKTWFMRD-HNNXBMFYSA-N 373.796 1.915 50 40 FDGB O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cccc(-n2cnnn2)c1 31970372 SUZABARSISZQRI-UHFFFAOYSA-N 374.364 1.127 50 40 FDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccccc1F 12699880 YBSQHPQRNUEVLM-UHFFFAOYSA-N 364.402 1.502 50 40 FDGB COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2)c2ccccc21 5321676 LUJCSFMIXWNVPQ-ZCXUNETKSA-N 374.400 1.874 50 40 FDGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccco1)S(C)(=O)=O 408778652 JNJRUBPWNAHKAJ-GZTJUZNOSA-N 365.411 1.595 50 40 FDGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1cccc(O)c1 408732314 UFRSIFJVOOQVBD-VIZOYTHASA-N 353.791 1.114 50 40 FDGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 1956510 USKDASIEZOOGGJ-RGVLZGJSSA-N 370.434 1.905 50 40 FDGB COc1ccc(C=NNC(=O)Cn2cnc3ccccc3c2=O)cc1OC 12101349 BLCPSKJZUBJVIH-UHFFFAOYSA-N 366.377 1.564 50 40 FDGB Cc1ccc(C)c(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)c1 20208353 JBCOMBMACBVGOP-UHFFFAOYSA-N 366.487 1.267 50 40 FDGB C=CCC1([C@@H](Br)[C@@H](C)Br)C(=O)NC(=O)NC1=O 101342135 CSDYEFNIGZLRSB-RITPCOANSA-N 368.025 1.462 50 40 FDGB COc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 4777330 UPCPAPICDRLJMT-INIZCTEOSA-N 353.378 1.570 50 40 FDGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2ccccc2O)c1[N+](=O)[O-] 4815575 VYIAPDOKSPOXDN-GIJQJNRQSA-N 373.321 1.998 50 40 FDGB O=C(COc1ccccc1F)NNC(=O)c1ccc(Cn2cccn2)cc1 8733908 NBWNDHCGCXUXMT-UHFFFAOYSA-N 368.368 1.911 50 40 FDGB COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)CCl)s2)cc1 408731926 QVVFYHMNNBJPPC-LZYBPNLTSA-N 367.818 1.417 50 40 FDGB O=C(CCC(=O)NNC(=O)C1CCCCC1)NNC(=O)C1CCCCC1 97959891 OBEDBJVACBZPFZ-UHFFFAOYSA-N 366.462 1.222 50 40 FDGB O=C(CCc1ccc2c(c1)OCO2)NNC(=O)Cc1cn2ccsc2n1 9115627 ZTIIVORICJDPSA-UHFFFAOYSA-N 372.406 1.447 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)CCSc2ccc(F)cc2)n1 6427235 YWFWMGMBWZKCOY-UHFFFAOYSA-N 350.419 1.969 50 40 FDGB NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl 4614839 DMFBUCAYIKKGJT-QPEQYQDCSA-N 359.769 1.830 50 40 FDGB Cc1cc(C(=O)NNC(=O)C2=NNC(=O)CC2)c(C)n1-c1ccccc1 7777039 MUQUOTUOTFEEDZ-UHFFFAOYSA-N 353.382 1.121 50 40 FDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(Cl)c1O 8109220 RBRKVFOQOUJPKT-KEBDBYFISA-N 361.785 1.821 50 40 FDGB CCCCC(=O)NN/C(C)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 5025659 OHTROOWUTSHIBL-SDNWHVSQSA-N 350.419 1.483 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)ccc1O 408783698 OQKJDGFUVVHDMS-FYJGNVAPSA-N 369.421 1.997 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1C 252504847 VNEWBPYHRBHEFJ-WTEYRUJWSA-N 365.369 1.376 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2cnn3c(C)cc(C)nc23)cc1OC 40068912 MVJHAONZFKATMC-UHFFFAOYSA-N 369.381 1.438 50 40 FDGB CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSS(=O)(=O)O 2775962 OWBUDSZQJZNIJZ-UHFFFAOYSA-N 366.417 1.045 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1 58880949 HFMGTINWYWCNMB-KEBDBYFISA-N 373.340 1.466 50 40 FDGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccccc12 1817515 RSJJBWZKIRJCGD-SFHVURJKSA-N 355.350 1.064 50 40 FDGB Cc1cc(C)nc(SCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 13001757 JLGYUUGJIHPXHH-CQSZACIVSA-N 374.422 1.173 50 40 FDGB COc1ccc([C@H]2C(C#N)=C(O)NC(=O)[C@H]2[n+]2ccccc2)cc1OC 4558325 JRQQEAHYYKEVAQ-IRXDYDNUSA-O 352.370 1.739 50 40 FDGB O=C(CSc1ccccc1F)NNC(=O)[C@H]1COc2ccccc2O1 9861887 NBHZTQIFPJMGCZ-CQSZACIVSA-N 362.382 1.905 50 40 FDGB CCOC(=O)/C=C/SC(S/C=C/C(=O)OCC)=C(C#N)C(N)=O 18194667 NLFBCYMMUAKCPC-KQQUZDAGSA-N 356.425 1.827 50 40 FDGB CCCNC(=O)NNC(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 5783010 UNGBENBEFNULIY-HDPALTEOSA-N 350.463 1.448 50 40 FDGB CCOC(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C 21771344 OLQKJWMQWVCMJD-ZDUSSCGKSA-N 357.432 1.075 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)[C@@H](c2ccncc2)N2CCOCC2)cc1 20057140 CTILFURKWKFVLM-QTCOBDOFSA-N 367.453 1.671 50 40 FDGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)/C(O)=C/C(=O)c1ccccc1 100519018 KPCBOAFHMJFDCN-GDNBJRDFSA-N 355.306 1.681 50 40 FDGB C[C@@H](CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 12867607 DAVRSXWNXYPCPB-ZDUSSCGKSA-N 364.405 1.888 50 40 FDGB O=C1CCC(C(=O)NNC(=O)c2sc3ccccc3c2Cl)=NN1 6049138 IYKBZRNZAJTPHW-UHFFFAOYSA-N 350.787 1.582 50 40 FDGB Cc1[nH]c2ccc(CNC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)cc2c1C 68548285 QYGLZQAHAMTQNK-KRWDZBQOSA-N 364.471 1.666 50 40 FDGB COc1cc(/C=N\NC(=O)Cn2cnc3ccccc3c2=O)ccc1O 31854499 JEPOZSCDXSENES-UKWGHVSLSA-N 352.350 1.261 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 35686066 GLUBBIHOLIPRHS-UHFFFAOYSA-N 356.747 1.267 50 40 FDGB N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)C(=O)NC(N)=O 409237619 AOIOVISKPXNIHI-BAQGIRSFSA-N 368.143 1.014 50 40 FDGB COC(=O)N/N=C/c1cc(Br)ccc1OS(C)(=O)=O 4525976 ULJSFUWWHLPNGV-WUXMJOGZSA-N 351.178 1.477 50 40 FDGB COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)O)cc2)cc1OC 409361321 GXZVRSBPACCDDX-JAIQZWGSSA-N 372.377 1.860 50 40 FDGB CC(C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 408816736 VFJZIFZDBSGTMY-GANRHZMWSA-N 371.437 1.792 50 40 FDGB NC(=S)N/N=C1/[C@H]2[C@@H]3C[C@@H]4[C@H]5[C@@H]3[C@@H]1[C@@H]([C@@H]5I)[C@H]42 261361214 JFMQOXYVKCNNAF-NULHYINKSA-N 359.236 1.367 50 40 FDGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2896024 QREOLHMOASQEKU-FRKPEAEDSA-N 358.266 1.996 50 40 FDGB COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O1 1799635 AYFTVMLPURCKGA-CQSZACIVSA-N 373.321 1.393 50 40 FDGB COc1cccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)c1O 59516047 RNBJCOVEKQTEDS-FYJGNVAPSA-N 355.394 1.600 50 40 FDGB NNC(=O)c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 225501539 RLSFAZOGSVLHIJ-UHFFFAOYSA-N 373.478 1.934 50 40 FDGB CC(=O)c1sc(NC(=S)N[C@H]2CS(=O)(=O)C[C@H]2Cl)nc1C 575422032 LUBUJAWUSUVNAT-SFYZADRCSA-N 367.905 1.345 50 40 FDGB CCn1c(O)c(C(=O)NNC(=O)Cc2ccccc2)c(=O)c2ccccc21 5432348 VDTQGBBFDPWMPY-UHFFFAOYSA-N 365.389 1.731 50 40 FDGB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)c1cccs1)C2=O 9378040 CYKGBRVUJXQHDS-HWPZZCPQSA-N 364.427 1.010 50 40 FDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1C(=O)O 55549136 XAACXESFWRBCNF-UHFFFAOYSA-N 350.352 1.017 50 40 FDGB COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c1 670250 UZICHGYFKQNRJR-UHFFFAOYSA-N 370.814 1.981 50 40 FDGB CN1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)CC1 33727844 MYLKLBIVJDZYHM-XFBWCDHKSA-N 357.292 1.919 50 40 FDGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc([N+](=O)[O-])cc1 1879970 LACDSVXPSHRLJP-FRKPEAEDSA-N 358.266 1.996 50 40 FDGB COc1ccc(C(=O)NN)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224754333 IEIDTQNBEGYKFH-UHFFFAOYSA-N 367.402 1.404 50 40 FDGB COc1ccnc(NNC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)n1 25125323 SZQFJQGIYOXRGP-KBPBESRZSA-N 371.441 1.851 50 40 FDGB CC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 6347563 KZMVWBCLBHEOKB-UHFFFAOYSA-N 355.350 1.263 50 40 FDGB Cc1c(C(=O)NNC(=O)[C@]23CCC(=O)N2CCS3)oc2ccccc12 24979780 JBDAFDVBVUPIQR-QGZVFWFLSA-N 359.407 1.568 50 40 FDGB Cc1cc(O)c(C)c(O)c1/C=N\NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1 4721483 LCVZCUCZLPIHDO-YXUGUPNVSA-N 367.405 1.695 50 40 FDGB Cc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3O)CC2=O)c1C 17526257 WTZNJJFLHZYOOG-AWEZNQCLSA-N 367.405 1.823 50 40 FDGB CCc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1 409029055 UYSUWVBVPYKNPT-XDHOZWIPSA-N 360.439 1.560 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1F)C1CCCCC1 34859409 YSPMPKURZWKLFI-WQRHYEAKSA-N 355.435 1.870 50 40 FDGB Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccncc2)c(C)c1 32119232 DBRFMWQQRWLPOO-UHFFFAOYSA-N 358.423 1.413 50 40 FDGB CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccccc3O)cnc2s1 1784389 RPOCISAFTYQLDF-UFWORHAWSA-N 356.407 1.876 50 40 FDGB CS(=O)(=O)OCCCO[P@@](N)(=O)N(CCCl)CCCl 2027768 RSSBMPZDWTWXLV-GOSISDBHSA-N 357.196 1.216 50 40 FDGB CN(C)c1cccc(C(=O)NNC(=O)CN2CCCc3ccccc32)c1 12553952 ZVBFNLMNTMGPAN-UHFFFAOYSA-N 352.438 1.966 50 40 FDGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)O 2284041 HGJSKZGZENKXPI-NHXNDTTKSA-N 374.393 1.751 50 40 FDGB O=C1N=C(O)N(Cc2ccccc2)C(=O)/C1=C/NNC(=O)c1ccccc1 9065036 CFWMLFFVTVMPFN-RVDMUPIBSA-N 364.361 1.288 50 40 FDGB Cc1ccc(C(=O)NNC(=O)CNC(=O)COc2ccccc2)c(C)c1 5271888 XGMRQGDISLFQEB-UHFFFAOYSA-N 355.394 1.260 50 40 FDGB COc1ccc(S(=O)(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 14246710 JENZWOUMSZQTQW-UHFFFAOYSA-N 366.395 1.336 50 40 FDGB CCOC(=O)/C(=C/NNC(=O)c1ccccc1O)C(=O)c1ccccc1 408895056 SXJNCEWXQAEYKW-NTCAYCPXSA-N 354.362 1.957 50 40 FDGB O=C(CNC(=O)c1cccs1)NNC(=O)c1cc(Br)c[nH]1 8123101 PYZGVSYZAFJIKO-UHFFFAOYSA-N 371.216 1.030 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 408974443 ZXTYBVIZXXXDAX-RGVLZGJSSA-N 367.388 1.696 50 40 FDGB O=C(NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)c1ccc(Cl)cc1 30672650 GTLYLQCVJYMSHY-ZJUUUORDSA-N 363.723 1.558 50 40 FDGB O=C(Cn1c(=O)cnc2ccccc21)NNC(=O)c1ccc(Cl)cc1 32999845 GUTRYPJIYHFCOD-UHFFFAOYSA-N 356.769 1.511 50 40 FDGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc3c(c2)n(C)c(=O)n3C)cc1 33658331 RIDLNGVWNYEOTL-RGVLZGJSSA-N 365.393 1.599 50 40 FDGB CC1(C)[C@H](O)[C@@]2(Br)CC[C@@]1(CC(N)=O)[C@@H]2Br 216529168 ZKWIBPNRADGAEX-OINDSLJFSA-N 355.070 1.940 50 40 FDGB C=C(C)C(=O)OC[C@@H](O)CNCCC[Si](OCC)(OCC)OCC 196196034 AKCXOKXVIWTINO-HNNXBMFYSA-N 363.527 1.495 50 40 FDGB CC(=O)c1sc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)nc1C 575421172 IJXRCMCMAJEAGC-JGVFFNPUSA-N 351.837 1.180 50 40 FDGB C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2)c2ccccc21 100494404 WLJGLOVQHXOWIH-NKFKGCMQSA-N 362.389 1.470 50 40 FDGB CN1CC[C@H](C(=O)NNC(=O)c2ccccc2Br)CC1=O 44286360 OQQXEUMDPIKETB-VIFPVBQESA-N 354.204 1.079 50 40 FDGB COc1nc2ccccn2c(=O)c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 27024488 BCOCSSMJLSSVKW-VCHYOVAHSA-N 367.321 1.375 50 40 FDGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12616865 BEBSWMOIEFTENJ-PAONJLBZSA-N 358.394 1.781 50 40 FDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1Cl 12973485 ZDMFTPXUBCQHEH-ZETCQYMHSA-N 351.211 1.189 50 40 FDGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1cccs1)c1ccc(Cl)cc1 6509800 AYQKWFMHLMOYEU-NSHDSACASA-N 366.830 1.962 50 40 FDGB O=C(Cc1nc2ccccc2[nH]c1=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1 408723013 YZFRAHKLWSIMMW-NVMNQCDNSA-N 367.321 1.230 50 40 FDGB NC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 15149476 KIXFPUVACYHEFL-AWQFTUOYSA-N 361.785 1.733 50 40 FDGB COc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc([N+](=O)[O-])c1O 31879746 UZMLDJHHBYATEL-OADJVDCOSA-N 373.321 1.599 50 40 FDGB O=C1CN(S(=O)(=O)CBr)C[C@H]2c3ccccc3CCN12 821808 OKRDBLSWALEZNF-LBPRGKRZSA-N 359.245 1.110 50 40 FDGB O=S(=O)(c1ccc(N2CCOCC2)c(N=C=S)c1)N1CCOCC1 4882781 PQNQQMGRVMGACG-UHFFFAOYSA-N 369.468 1.278 50 40 FDGB CNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2Cl)c1 7779031 SXPQVWRNBIADLF-UHFFFAOYSA-N 367.814 1.323 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(=O)O)c(OC)c1 59444434 PEGKMHCDUFSSQG-VXLYETTFSA-N 371.349 1.491 50 40 FDGB CN1c2ccsc2/C(=N/NC(=O)Cc2cccs2)CS1(=O)=O 1386848 SHAUDOCYVXPAFC-GXDHUFHOSA-N 355.466 1.652 50 40 FDGB Cc1ccc(NCC(=O)NNC(=O)CNC(=O)c2ccc(C)cc2)cc1 12610062 FUURQQVWQWMYJR-UHFFFAOYSA-N 354.410 1.293 50 40 FDGB NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 408675936 CMIUIQLFIRYYFC-LPYMAVHISA-N 366.421 1.915 50 40 FDGB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NN)C1 408700285 CNYOJMKQJLPTIY-CYBMUJFWSA-N 355.460 1.209 50 40 FDGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(N)=O 83317154 WUQSFZFIQUAPSE-OCKHKDLRSA-N 372.337 1.231 50 40 FDGB COc1ccc([C@@H](O)[C@@H](I)S(C)(=O)=O)cc1 96519223 BHIDQPNBIFWIHQ-ZJUUUORDSA-N 356.181 1.534 50 40 FDGB CN(C)c1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)O)cc1 95471927 UUAUXFXTJLNRTA-ODLFYWEKSA-N 354.366 1.540 50 40 FDGB COc1cccc(C=C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)c1 584963490 ZJQDNZTZNGYZLH-UHFFFAOYSA-N 351.211 1.695 50 40 FDGB O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 5634797 PDNDCNIRHOZSTB-UHFFFAOYSA-N 373.434 1.546 50 40 FDGB COc1ccc(C(=O)NCC(=O)N/N=C\c2ccc(C)cc2O)cc1OC 5277201 IRJDMUKYRSRJSE-FBHDLOMBSA-N 371.393 1.598 50 40 FDGB Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)o1 84374120 HEPUVROCRKQESM-ZFWWWQNUSA-N 355.394 1.959 50 40 FDGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(N)=O)c2)cc1OC 409319493 HBXOGIBELOOCAQ-NHDPSOOVSA-N 371.393 1.722 50 40 FDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc2c(c1)OCO2 5604604 OFOBPXLKCDCLEB-GIJQJNRQSA-N 350.338 1.219 50 40 FDGB CCCc1nc2c(o1)NC(N)=C(C#N)[C@H]2c1ccc(OCC(N)=O)cc1 1073807 CRYCMPJXXCCZIZ-OAHLLOKOSA-N 353.382 1.742 50 40 FDGB Cc1ccc(N2C(=O)[C@H](/C=C(\C#N)C(=O)N(C)C)C(=O)NC2=S)cc1C 103885213 SBEKDKNSGYKBPS-CEFACKQISA-N 370.434 1.206 50 40 FDGB CC(C)CNC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 59515494 MIXAGQMBMYKIMP-UBKPWBPPSA-N 370.203 1.400 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1F)c1cncn1-c1ccccc1 7131641 RLUFJCHXRUWJFJ-UHFFFAOYSA-N 360.370 1.635 50 40 FDGB CC(=O)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(O)nc2ccccc2c1=O 409364119 VZXNCSWFYWMBTG-UHFFFAOYSA-N 368.305 1.818 50 40 FDGB COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C 408964518 SOWZFDUJPYFMMA-WSDLNYQXSA-N 374.416 1.836 50 40 FDGB COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 408614489 CVDUDVVZYATGHM-AWEZNQCLSA-N 353.378 1.509 50 40 FDGB COC(=O)c1ccc(/C=N\NC(=O)C(=O)NCc2ccccc2Cl)cc1 33447184 YMSYMQMLPOFFFN-FBHDLOMBSA-N 373.796 1.893 50 40 FDGB COc1cccc(C(=O)NNC(=O)C(=O)Nc2cc(OC)ccc2OC)c1 4838901 DCJUWBDLZBYAJT-UHFFFAOYSA-N 373.365 1.112 50 40 FDGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccccc1C(F)(F)F 4703107 JQVBDZCNHCJHGJ-LSHDLFTRSA-N 350.300 1.867 50 40 FDGB C[C@@]1(C(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1Br 4772815 NBMGJWLWWFZCMH-VPPSXGLOSA-N 368.187 1.929 50 40 FDGB COc1ccc([C@H]2C(=O)[C@H](Cl)N2Nc2nc(C)cc(=O)[nH]2)cc1OC 17219004 RGBJJLZMTVPYKT-DZGCQCFKSA-N 364.789 1.613 50 40 FDGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCNC[C@@H]32)cc1 1070144 FLCPMJSWWXTOTE-RDJZCZTQSA-N 359.389 1.486 50 40 FDGB CCNC(=O)N(C)NS(=O)(=O)c1cc(Br)ccc1C 97162122 BZGPJNUPXFRZRZ-UHFFFAOYSA-N 350.238 1.612 50 40 FDGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)c1 8778646 RZDWFOBIPAUSBO-UHFFFAOYSA-N 358.423 1.883 50 40 FDGB CC(C)(CC(=O)NNC(N)=O)CC(=O)Nc1cccc(Br)c1 199409939 NWHGDXITYRVNBR-UHFFFAOYSA-N 371.235 1.894 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)COc2cc(C)ccc2C)cc1 3607197 WMDFGNMSJQGJSX-UHFFFAOYSA-N 358.394 1.917 50 40 FDGB C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1 4392904 VGQFDACVALUMCR-WDEREUQCSA-N 374.846 1.080 50 40 FDGB COc1cc(NC(=S)NNC(=O)c2cccnc2)cc(OC)c1OC 17074535 RLLYREGYIWNHNN-UHFFFAOYSA-N 362.411 1.739 50 40 FDGB C[C@](CC(=O)NNC(=O)c1n[nH]c2c1CCCC2)(C(=O)O)c1ccccc1 10171144 TWDYZRZCJAVDFS-LJQANCHMSA-N 370.409 1.482 50 40 FDGB COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2OC)c(OC)c1 2217216 WPVLCNHQNCRAKU-UHFFFAOYSA-N 373.365 1.112 50 40 FDGB Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc2c(c1)COC2 64385930 DBMQIRAOXGEHGD-UHFFFAOYSA-N 364.199 1.893 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 408614894 JICSNAFOUOUQNH-ZDUSSCGKSA-N 368.349 1.409 50 40 FDGB CCOC(=O)c1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1 40177641 LLWWXBZOHIUYDS-ZDUSSCGKSA-N 359.831 1.622 50 40 FDGB CC(C)=NNC(=O)CSc1nnc(SCC(=O)NN=C(C)C)s1 16138674 NBPJHHJQOSNVIW-UHFFFAOYSA-N 374.517 1.746 50 40 FDGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 59433986 CSDFIMCTARBKNO-VXLYETTFSA-N 355.350 1.791 50 40 FDGB COc1ccccc1C(=O)N/N=C1\C(=O)N(CN(C)C)c2ccccc21 20215580 QUMHVWFNXQZSFR-JZJYNLBNSA-N 352.394 1.695 50 40 FDGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 409180360 WPYQCRCPGUTLRR-GIJQJNRQSA-N 373.321 1.831 50 40 FDGB CC(C)Oc1ccc(Br)cc1/C=N/NC(=O)c1nonc1N 408735537 RPTKVIJVNLEDLU-OMCISZLKSA-N 368.191 1.965 50 40 FDGB O=C(N/N=C\c1cc([N+](=O)[O-])c(O)cc1O)c1cc([N+](=O)[O-])ccc1O 408870626 WHLQNRWDTZLHEN-UUASQNMZSA-N 362.254 1.384 50 40 FDGB CC(=O)Oc1cccc2c1C(=O)[C@@]1(O)C(C=O)=C[C@H]3OC(C)(C)O[C@@]2(C)[C@@H]31 5028868 HEUJZCZSFLNIRC-BGRCLHOASA-N 372.373 1.661 50 40 FDGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1 19831264 MUIGKLCSKMYEHN-PXLXIMEGSA-N 374.485 1.273 50 40 FDGB COc1ccc(/C=C/C(=O)NCCC(=O)NNC(=O)c2ccncc2)cc1 9952006 UJDWKGLQZYQAFJ-QPJJXVBHSA-N 368.393 1.071 50 40 FDGB CSc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 16248764 CGMGERZWPNAINM-WDEREUQCSA-N 355.890 1.091 50 40 FDGB COC(=O)Cc1n[nH]c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 1239299 XZENWJRFWFDNEX-OAHLLOKOSA-N 370.365 1.361 50 40 FDGB CC(C)C(=O)N1CCC(NC(=O)NNC(=O)c2ccc(F)cc2)CC1 12984890 ZRSUXEFZHZLXLW-UHFFFAOYSA-N 350.394 1.417 50 40 FDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 408969817 VCVGLGLBKINHSM-IYRRMDOYSA-N 370.203 1.543 50 40 FDGB CCCc1c(C(=O)N/N=C/c2sccc2C)nnn1-c1nonc1N 9498586 IJTXAURZOOPNMO-FRKPEAEDSA-N 360.403 1.319 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)/C=C/c2ccc(Br)o2)n1 7980834 WHPXOYBDSKPOQE-GQCTYLIASA-N 367.203 1.716 50 40 FDGB CC(=O)N[C@@H](C(=O)NNC(=O)c1ccccc1Br)C(C)C 8204483 MKECBLWPYGTVNP-GFCCVEGCSA-N 356.220 1.371 50 40 FDGB O=C(NNC(=O)c1nnnn1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 28294819 QNQQJSMBGQHXBD-UHFFFAOYSA-N 368.313 1.037 50 40 FDGB Cc1nccn1-c1ccc([C@@H](C)NCC(=O)NNC(=O)c2ccco2)cc1 97081921 RWYHWDRVCASZQC-CYBMUJFWSA-N 367.409 1.886 50 40 FDGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c1O 13564117 GKLIPLBJOGUXHG-OADJVDCOSA-N 373.321 1.599 50 40 FDGB COC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 6440817 GMDKGSCMQLAODS-LBPRGKRZSA-N 360.391 1.718 50 40 FDGB Cc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1sccc1C(N)=O 10032683 QWLMDCDAFQIMLB-UHFFFAOYSA-N 374.422 1.335 50 40 FDGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)C2(c3ccccc3)CC2)cc1 27594933 HXPYFSQVPLUPEY-UHFFFAOYSA-N 358.419 1.583 50 40 FDGB CC(C)[C@H](Br)C(=O)NNC(=O)[C@@]1(C)C[C@@H]1Br 4772908 GJWQREDBFAOCSH-BYULHYEWSA-N 356.058 1.727 50 40 FDGB C/C(=N\NC(=O)CN1CCCCCC1=O)[C@@H]1Cc2ccccc2C(=O)O1 98054226 SWPWQYWJMYSCGT-UOEVCUDDSA-N 357.410 1.663 50 40 FDGB COc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 68933314 UDKFRHHCCWBOFI-CYBMUJFWSA-N 353.378 1.509 50 40 FDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(C(=O)O)cc2)cc1 223159405 ZOGRBUYYFDFCCG-GRSHGNNSSA-N 369.333 1.260 50 40 FDGB COc1ccc(/C=C(/NC(=O)c2ccc(OC)c(OC)c2)C(=O)NN)cc1 1244485 AVXGNERQPIZCJP-XNTDXEJSSA-N 371.393 1.473 50 40 FDGB O=C(CCc1ccccc1)NN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 1443736 QRUBCNDEHFVEND-INIZCTEOSA-N 355.369 1.711 50 40 FDGB CCCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)n[nH]c1=O 13865345 ZUSAJIPOKIBKJA-UHFFFAOYSA-N 356.411 1.915 50 40 FDGB CCCCCOC[C@@H]1C[C@@](C/C(C)=N/NC(N)=O)(C(=O)OCC)[C@@H](O)O1 16158037 TYAAAKIWNBMSMN-ALICPZKWSA-N 373.450 1.284 50 40 FDGB Cc1c(C(=O)NC(=S)NNC(=O)c2ccncc2)cccc1[N+](=O)[O-] 32119180 WMIMYAHXLRDAOP-UHFFFAOYSA-N 359.367 1.248 50 40 FDGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)cc1Cl 225501336 GSXPWRULJOKBIC-UHFFFAOYSA-N 355.803 1.753 50 40 FDGB Cc1c(C(=O)N/N=C2/CCCc3ccccc32)nnn1-c1nonc1N 32121711 IPCAMOWWSJUMHI-PDGQHHTCSA-N 352.358 1.011 50 40 FDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc[n+]([O-])c1 3167419 BIGRWVHELXOGIR-REZTVBANSA-N 352.253 1.594 50 40 FDGB COC(=O)Cc1n[nH]c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2 8566308 YHKLTCZREPOCMB-AWEZNQCLSA-N 356.338 1.058 50 40 FDGB O=C(CCCC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1 1956040 OBRLSTBZXVDORC-ZIOPAAQOSA-N 368.393 1.869 50 40 FDGB Cc1cc(C)n2nc(C(=O)NNC(=O)c3ccc(OC(C)C)cc3)nc2n1 28582286 STNFLXLBLJXZRO-UHFFFAOYSA-N 368.397 1.603 50 40 FDGB Cc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(N)=O)n1 409103193 XJSQIXIGONXKCG-BJMVGYQFSA-N 357.351 1.942 50 40 FDGB COc1ccc2nc(/C=N/NC(=O)c3ccccc3-n3cnnn3)ccc2c1 9575580 KJMAXBHHOCNYLB-RGVLZGJSSA-N 373.376 1.983 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1O 409262557 HVRQROXSLRPOPJ-CIAFOILYSA-N 355.394 1.866 50 40 FDGB N#C[C@H](C(=O)COc1ccccc1)C(=O)NNC(=O)COc1ccccc1 4825824 DQHNWYCCAUFLCM-MRXNPFEDSA-N 367.361 1.001 50 40 FDGB COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 408614490 CVDUDVVZYATGHM-CQSZACIVSA-N 353.378 1.509 50 40 FDGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cc(OC)c(O)c(OC)c1 57509089 BGDGFSXOIGFAHR-ZDUSSCGKSA-N 370.789 1.819 50 40 FDGB CCOc1ccc(CC(=O)NNC(=S)NC(=O)c2ccccc2)cc1 2194662 AENSABGXNLYJAS-UHFFFAOYSA-N 357.435 1.964 50 40 FDGB CC(C)c1c(C(=O)N/N=C/c2ccccc2F)nnn1-c1nonc1N 2395938 JMSHVLPKBPPEMT-CNHKJKLMSA-N 358.337 1.259 50 40 FDGB N#Cc1ccccc1OCC(=O)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 5005869 AFISTFTUPNGPTJ-UHFFFAOYSA-N 365.305 1.318 50 40 FDGB O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccc([N+](=O)[O-])o1 3187640 NGWMEBLKBKRLAO-YAXRCOADSA-N 358.232 1.519 50 40 FDGB O=C(CCCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O 1868744 RQEQVAALSKEUAT-ZIOPAAQOSA-N 368.393 1.869 50 40 FDGB NC(=O)N[C@H](CC(=O)NNC(=O)c1cccnc1)c1ccccc1Cl 9255313 FGSJLWTUCHPFTN-CYBMUJFWSA-N 361.789 1.296 50 40 FDGB CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)c2ccccc21 4386421 JWIJHGJEPOKQGX-OAQYLSRUSA-N 370.368 1.877 50 40 FDGB CCOC(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 8569124 XUZUMHZEVGLWDW-INIZCTEOSA-N 354.366 1.878 50 40 FDGB CCCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21 12858503 DRANMVCCQSSJEB-LJQANCHMSA-N 353.378 1.852 50 40 FDGB O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccccc1Cl 3009264 SSXUOZOBXCAVOQ-AWQFTUOYSA-N 359.769 1.835 50 40 FDGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)o2)cc1 6158801 MQWHFCQLTWKTOA-XDHOZWIPSA-N 356.382 1.839 50 40 FDGB C=CCNC(=S)NNC(=O)[C@@H](CCCC)C[C@@H](O)COCC(C)C 13635276 PEMMICOLBWLJSH-LSDHHAIUSA-N 359.536 1.898 50 40 FDGB CCCc1nnc(SCC(=O)NNC(=O)Cc2ccccc2)n1CC 7604758 SOTISJQQJNTVQV-UHFFFAOYSA-N 361.471 1.733 50 40 FDGB C[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 27313800 FENAKZOCZVEKTI-MWLCHTKSSA-N 366.487 1.717 50 40 FDGB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1C 6269088 RJCSHMDZEHQOOX-UHFFFAOYSA-N 363.395 1.514 50 40 FDGB COCCNC(=O)/C(C#N)=C\c1cc(Br)c(O)c(OC)c1 6372300 XTLSBBIUZFKKRN-YHYXMXQVSA-N 355.188 1.833 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1F)c1cc(-c2ccccc2)n[nH]1 5695309 NWTFRRXCZATCIF-UHFFFAOYSA-N 360.370 1.839 50 40 FDGB O=C(NNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccncc1 841081 VMROKUVPFSEHIT-UHFFFAOYSA-N 354.278 1.171 50 40 FDGB Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccc(O)cc2O)c1 2280085 BCQYODJBQLOHEE-AWQFTUOYSA-N 357.366 1.052 50 40 FDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1OC 2438808 DJURJOVIWKBJTK-INIZCTEOSA-N 353.378 1.929 50 40 FDGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccccc1O 408731650 MMYFXLIXJIBAHL-GIJQJNRQSA-N 356.773 1.849 50 40 FDGB O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(CN2CCOCC2)cc1 96486891 SMKKPLXMECBSBQ-UHFFFAOYSA-N 364.405 1.605 50 40 FDGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)ccc1O 5720210 ZYBIIFWWEKHXRQ-DJKKODMXSA-N 370.344 1.344 50 40 FDGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OCC(=O)O 5953493 CWNQTTAGCHJAGJ-NTEUORMPSA-N 360.366 1.314 50 40 FDGB COc1ccc(OC)c([C@H]2[C@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 27224969 VNPKAOSWPKGKIF-WMZOPIPTSA-N 361.405 1.717 50 40 FDGB COc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1[N+](=O)[O-] 216959273 OWRDJYOFLNAVCY-UHFFFAOYSA-N 354.322 1.850 50 40 FDGB O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CC[C@@H](B(O)O)C1 585075957 VCSYDWTZFVUMRB-GFCCVEGCSA-N 359.212 1.875 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 252489138 JGXKUFIEPAPLHZ-PJQLUOCWSA-N 357.733 1.166 50 40 FDGB O=C(N/N=C/c1ccncc1)C(=O)Nc1nnc(-c2ccccc2)s1 5903203 ZMNNNIIVCIBPJQ-VCHYOVAHSA-N 352.379 1.689 50 40 FDGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN(C)C)c3ccccc32)cc1 19882705 FQQCDTZGDRJRER-JZJYNLBNSA-N 352.394 1.695 50 40 FDGB COc1ccc2nc(NC(=O)C(=O)NNC(=O)c3ccncc3)sc2c1 1629352 PWVHVLOLNSFNOD-UHFFFAOYSA-N 371.378 1.100 50 40 FDGB C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)CS2 24451265 VWNDHBQEGYAPOO-ABAIWWIYSA-N 353.831 1.555 50 40 FDGB COc1ccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)cc1OC 1226057 APZGLSSEZHBEJU-GIJQJNRQSA-N 354.370 1.522 50 40 FDGB O=C(COc1ccc(Cl)cc1)NNS(=O)(=O)c1ccccc1F 3290161 DDMDLTDJQNRJEB-UHFFFAOYSA-N 358.778 1.868 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 58885091 YCVQMTAVSNKDBR-WOJGMQOQSA-N 355.354 1.750 50 40 FDGB CC1=C2c3ccccc3N(C(=O)/C=C/C(=O)O)[C@H]2[C@H]2C(=O)OC(=O)[C@@H]2C1 104306457 FJSQBCXGDFKBPB-YVYUCZKKSA-N 353.330 1.536 50 40 FDGB COc1cc(C(=O)NNC(=O)c2n[nH]c3ccccc23)cc(OC)c1OC 8135796 YFNOKHXIZVRVBR-UHFFFAOYSA-N 370.365 1.664 50 40 FDGB Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccco3)C2=O)c1 408531457 GWHCSUNVQAXIMV-KBSHCFNASA-N 354.322 1.203 50 40 FDGB COc1ccccc1OCCN1C(=O)/C(=N\NC(N)=O)c2ccccc21 46084806 GOXZXWMSRNOWOY-SILNSSARSA-N 354.366 1.493 50 40 FDGB O=C(NCCc1c[nH]c2ccccc12)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 575420803 FEBBJARXNHDQCQ-JSGCOSHPSA-N 355.847 1.414 50 40 FDGB COc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)cc1 7131571 ZMBPOOOSXKRTCK-UHFFFAOYSA-N 372.406 1.504 50 40 FDGB CC(C)C(=O)NNS(=O)(=O)c1c(F)cc(F)cc1Br 9503543 ZBKXQRKPTIKXNX-UHFFFAOYSA-N 357.176 1.693 50 40 FDGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(\C#N)C(=O)NC[C@H]1CCCO1 32117140 JADAURZBQGCQFB-PNUWANSTSA-N 352.394 1.770 50 40 FDGB CC(C)c1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccnc3)C2=O)cc1 100837780 CQMYJYPUJGXPID-MRXNPFEDSA-N 352.394 1.772 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1O 3062174 SBGMDBXAOVZENO-FYJGNVAPSA-N 355.394 1.600 50 40 FDGB O=C(N/N=C/c1ccccn1)C1CCN(S(=O)(=O)c2ccccc2)CC1 6890151 SEDCVNULNGGZRN-XSFVSMFZSA-N 372.450 1.633 50 40 FDGB CCOc1ccc(S(=O)(=O)N(CC(=O)NN)C2CCCCC2)cc1 408623500 ROZCKXIUITZMGE-UHFFFAOYSA-N 355.460 1.399 50 40 FDGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(N)=O)o2)cc1 408844775 INAPUOIYFJJLRN-WQLSENKSSA-N 352.350 1.235 50 40 FDGB COC(=O)COc1cccc(/C=N/NC(=O)CSc2ncccn2)c1 408837460 FWSPKWSYLIAIFJ-DJKKODMXSA-N 360.395 1.271 50 40 FDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)cc1 4851041 IEJNQBYMDVZGJZ-MRXNPFEDSA-N 353.378 1.376 50 40 FDGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)C(=O)N1CCCCCC1 2140154 YYBXBMHMPYLVTF-HMMYKYKNSA-N 358.442 1.376 50 40 FDGB COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 12747457 ZXSKDHVAISBKTE-ZDUSSCGKSA-N 371.368 1.648 50 40 FDGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)n1 409075457 VRRXCEDSJJIKCW-FRKPEAEDSA-N 361.383 1.950 50 40 FDGB CC(C)C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 15983722 GYEPWFPWSMXBBV-UHFFFAOYSA-N 372.402 1.481 50 40 FDGB O=C(CCBr)N1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 19851424 PZPQMLMSZAITCC-UHFFFAOYSA-N 357.208 1.814 50 40 FDGB C/C(Cn1nnc([N+](=O)[O-])n1)=N/NC(=O)c1ccc(Br)cc1 1021824 BFLRESRBIGEKQI-QPEQYQDCSA-N 368.151 1.150 50 40 FDGB COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 59503044 HLFNQQKQGPBEBA-LDADJPATSA-N 361.423 1.612 50 40 FDGB CC(C)CCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12923273 BZXPGTYYWQJIQQ-UHFFFAOYSA-N 367.471 1.668 50 40 FDGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(S(=O)(=O)O)o1 4132929 RWMFFXLBLINFLC-VIZOYTHASA-N 358.759 1.709 50 40 FDGB O=C(CCC(=O)N1CCc2ccccc2C1)NNC(=O)c1cccnc1 4682609 ADWXMMGPBQTKIC-UHFFFAOYSA-N 352.394 1.208 50 40 FDGB CCCCC(=O)NN/C=C1\C(=O)N=C(O)N(c2ccccc2OC)C1=O 8767946 FGSPCPHGNQHSSX-ZHACJKMWSA-N 360.370 1.177 50 40 FDGB O=C(NN=C1[C@H]2C[C@H]3C[C@@H]1C[C@](O)(C3)C2)c1n[nH]c(=O)c2ccccc12 217408889 QRLNDHHASUNKJI-QUNHYVIWSA-N 352.394 1.580 50 40 FDGB CCCNC(=O)CCC(=O)NNC(=O)c1cc2cc(Cl)ccc2n1C 199413873 SQSPUPWZQVDSBA-UHFFFAOYSA-N 364.833 1.899 50 40 FDGB CCOC(=O)c1cc(C#N)c(C)nc1N1CCN(C(=O)CCl)CC1 19851420 SQKQDEYYFHZPFF-UHFFFAOYSA-N 350.806 1.326 50 40 FDGB CCN1CC=C2[C@@H](C1)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)C2(C#N)C#N 664204 QNFQWYOPIQOPBS-IERDGZPVSA-N 370.416 1.538 50 40 FDGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(C)c1ccccc12 1903615 RFZXSANTVCRZBT-LJQANCHMSA-N 369.377 1.088 50 40 FDGB Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2064455 XPCCJJYMFOIYAW-UHFFFAOYSA-N 358.379 1.853 50 40 FDGB CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2O)s1 59498809 NCSNAUAZFMOWRC-RQZCQDPDSA-N 361.427 1.921 50 40 FDGB COCCCNC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58914364 CAEDXJAZQRBTQE-ODLFYWEKSA-N 374.353 1.458 50 40 FDGB CC(=O)NCCC(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1 9532046 UXCSXZWUXVAJBE-UHFFFAOYSA-N 364.402 1.165 50 40 FDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(OC)cc2)cc1 223157962 XZFWWIOHMGJHJV-ODLFYWEKSA-N 355.350 1.571 50 40 FDGB CS(=O)(=O)[C@@H](I)[C@@H](O)c1cccc([N+](=O)[O-])c1 96519179 YROABAIEPSXDHW-DTWKUNHWSA-N 371.152 1.434 50 40 FDGB O=C(NN[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O)c1ccncc1 100097051 MITPCIMPTSCBLV-ZDUSSCGKSA-N 362.748 1.441 50 40 FDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(OC(F)F)cc1 6310386 VBACSJHWJREAHA-CQSZACIVSA-N 364.304 1.889 50 40 FDGB C[C@@H]1CCC/C(=N\NC(=O)C[C@@H]2NC(Cc3ccccc3)=NNC2=O)C1 4764161 XTWOSFYVLXPNSR-HPARGWCRSA-N 355.442 1.703 50 40 FDGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2OC)c1 5514606 HHHRRKHXTXSOQW-YBFXNURJSA-N 357.366 1.801 50 40 FDGB O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)NCc1ccccc1 4727478 FLYVDBOGXBTOMP-JAYDOHCTSA-N 350.212 1.874 50 40 FDGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)CCc2ccccc2)cc1 670390 QFLHTVDAXFTZTM-UHFFFAOYSA-N 361.423 1.587 50 40 FDGB Cc1cc(NC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)no1 4169239 KUUFWOAJEMHXAJ-UHFFFAOYSA-N 350.762 1.816 50 40 FDGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 3061741 YXSUYEPVQODUQQ-YBFXNURJSA-N 355.350 1.872 50 40 FDGB COc1ccc(CC(=O)NNc2nnc(-c3ccccc3)c(O)n2)cc1 28616663 ULPSOXAEGCQRCK-UHFFFAOYSA-N 351.366 1.939 50 40 FDGB Cc1nc(CC(=O)NNC(=O)CC2(CC(=O)O)CCCCC2)cs1 29011469 BDWVTUXDLMRYPG-UHFFFAOYSA-N 353.444 1.957 50 40 FDGB O=C(NNC(=O)C1CC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 2656995 HWUNMWMUHIFIRS-UHFFFAOYSA-N 351.428 1.032 50 40 FDGB C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(CO)c2ccccc21 5437352 LJGRAPKWBNLOPK-DGIBIBHMSA-N 351.362 1.198 50 40 FDGB O=C(O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2ccncc2)c1 226860630 ZQNXPCDILDGULM-UHFFFAOYSA-N 355.759 1.057 50 40 FDGB COc1ccc2ccc(OC)c(/C=N/NC(=O)CN3CCOCC3)c2c1 19851807 HVHCOHYIIUXAAW-UDWIEESQSA-N 357.410 1.639 50 40 FDGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 5511578 IDYFLMBJWKVCHW-HYARGMPZSA-N 369.421 1.868 50 40 FDGB CC/C(C)=N/NC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1 8741497 WMPDXSRCNIWADF-VXLYETTFSA-N 369.389 1.360 50 40 FDGB O=C(CCc1ccccc1)NN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100183319 QRUBCNDEHFVEND-MRXNPFEDSA-N 355.369 1.711 50 40 FDGB COc1cc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)ccc1O 1633086 XIBPBOMGNOFFTM-HUUCEWRRSA-N 361.785 1.819 50 40 FDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 59515662 RJIYCNQOHSIKCI-VCHYOVAHSA-N 372.337 1.701 50 40 FDGB CN(C)C(=O)[C@H](NNC(=O)c1cncn1-c1ccccc1)c1ccccc1 9112621 ZREYCFUVDOYSNS-GOSISDBHSA-N 363.421 1.936 50 40 FDGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc2c1C(=O)NC2=O 33899572 ORADKXYYMMZUCY-WDZFZDKYSA-N 361.313 1.845 50 40 FDGB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1c[nH]c2ccccc12 28662649 FARJRUIXJJUDBO-MRXNPFEDSA-N 368.393 1.977 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1OC 840326 LHNIIFMOBATECU-UHFFFAOYSA-N 360.366 1.796 50 40 FDGB COc1cccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)c1OC 5335682 OSPYSTAQEFIUTH-CIAFOILYSA-N 356.382 1.255 50 40 FDGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 59960098 ZINVJWHGUPOGDL-AWQFTUOYSA-N 374.784 1.293 50 40 FDGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc3ccccc3[nH]2)cc1 27593036 SYUBVFFTVKDACF-UHFFFAOYSA-N 357.391 1.646 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)C(F)(F)F)c(Br)c1 2134419 UXAYEZRSMJURJV-UHFFFAOYSA-N 355.110 1.846 50 40 FDGB Cn1nc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccccc2c1=O 6507299 JYZMKAHPCRFYMX-VXLYETTFSA-N 350.334 1.396 50 40 FDGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1 96533534 HMVNUVFUPDUJMK-RAXLEYEMSA-N 352.350 1.503 50 40 FDGB CCOC(=O)/C(C#N)=C/c1c(N2CCOCC2)nc2c(C)cccn2c1=O 2202944 VJHSAZOTLJOUCH-SDNWHVSQSA-N 368.393 1.310 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 408599282 RTOBDENAYTVJBC-VCHYOVAHSA-N 357.322 1.911 50 40 FDGB COc1ccc(C(=O)N2C[C@H](C(=O)NN)Oc3ccccc32)cc1OC 225330729 DVXHKVYEIGKVKI-MRXNPFEDSA-N 357.366 1.102 50 40 FDGB Cc1cccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1C 12803235 UJCYPWAOAVUDAC-UHFFFAOYSA-N 360.439 1.671 50 40 FDGB CCOc1ccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)cc1 19955022 WSQITTHZGITJIT-GZTJUZNOSA-N 365.411 1.595 50 40 FDGB O=C(COC(=O)c1ccc(O)cc1O)NNC(=O)c1ccc(Cl)cc1 21172124 DHLPLRKIKCWUGN-UHFFFAOYSA-N 364.741 1.369 50 40 FDGB Cc1ccc(C)c(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)c1 1357492 IGCPUILZNCPDKO-UHFFFAOYSA-N 372.410 1.425 50 40 FDGB O=C(NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 2690793 JUKKCUYKLMQYHP-UHFFFAOYSA-N 360.351 1.250 50 40 FDGB CC1CCN(CC(=O)NNC(=O)c2cccc(Br)c2)CC1 4866218 LBMNPUMYUPQBFU-UHFFFAOYSA-N 354.248 1.942 50 40 FDGB Cc1cc(Br)ccc1CC(=O)NNC(=O)[C@@H]1CCCOC1 585088502 CKKFGHXHLQQUMV-GFCCVEGCSA-N 355.232 1.874 50 40 FDGB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1cccs1 6905455 HDWYKNXUMGNXCV-OAHLLOKOSA-N 370.434 1.738 50 40 FDGB Cc1ccc(SCC(=O)NNC(=O)C[C@](C)(O)C(F)(F)F)cc1 7964431 VMWGPIYARVFDPY-ZDUSSCGKSA-N 350.362 1.938 50 40 FDGB Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 68933383 QMQWSPWSVXNIQD-CQSZACIVSA-N 355.369 1.948 50 40 FDGB Cc1nonc1C(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 5488431 OJJYDCKWZWTUDR-UHFFFAOYSA-N 350.132 1.227 50 40 FDGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCC(N)=O 853995 UKGHUAOJKNVDQX-NHXNDTTKSA-N 373.409 1.152 50 40 FDGB CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccnc2)c2ccccc21 5894490 UZNLMPWROMETMM-QJOMJCCJSA-N 365.393 1.089 50 40 FDGB NC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408890073 NJHMAXJDYMUKDE-CXUHLZMHSA-N 364.339 1.365 50 40 FDGB COc1ccccc1N(CC(=O)N/N=C/c1ccccc1)S(C)(=O)=O 408927355 ZXXOCZQNRWSFCX-LDADJPATSA-N 361.423 1.612 50 40 FDGB CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 7428702 PBTKYXQJEZJBMS-UHFFFAOYSA-N 364.379 1.437 50 40 FDGB COc1cc(CCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc(OC)c1 7957575 UKXBZYFUIHCEBM-UHFFFAOYSA-N 372.377 1.826 50 40 FDGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1cccc2ccccc12 19831274 WTZYSGJZRRMURF-PXLXIMEGSA-N 368.437 1.128 50 40 FDGB CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1 4939933 ZMYVYCVDVABSKP-OLZOCXBDSA-N 365.904 1.667 50 40 FDGB C[C@@H]1C[C@@H](C)CN(CC(=O)NNC(=O)COc2ccc(Cl)cc2)C1 7061584 GOTZSFWYQXOQCS-CHWSQXEVSA-N 353.850 1.844 50 40 FDGB N#CC1=C(N)Oc2nc(=O)[nH]c(O)c2[C@H]1c1ccc(Br)cc1 2204649 GBROIDUZYDLBLJ-VIFPVBQESA-N 361.155 1.456 50 40 FDGB C[C@@H](NC(N)=O)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl 25386485 WZOCQVUDIGKREI-ZCFIWIBFSA-N 365.242 1.290 50 40 FDGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1ccccc1 408732661 XCRXWOPYSMUTFH-FRKPEAEDSA-N 372.237 1.973 50 40 FDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc(-c2cccnc2)on1 40128801 NUIVXDITOUPMJZ-MRXNPFEDSA-N 366.333 1.338 50 40 FDGB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=O)c1ccccc1O 14201671 OGFLFGPUPFTUQU-GFCCVEGCSA-N 351.362 1.668 50 40 FDGB N#Cc1ccccc1OCC(=O)NNC(=O)COc1ccc2c(c1)CCC2 6552790 CNUCKFKETACOHZ-UHFFFAOYSA-N 365.389 1.652 50 40 FDGB CC(C)Oc1ccc(C(=O)NCC(=O)NNC(=O)OC(C)(C)C)cc1 7977234 NGJQUBWIKHFHDE-UHFFFAOYSA-N 351.403 1.760 50 40 FDGB Nc1ccccc1C(=O)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409007890 RJOHNMRDKGHAFP-NDENLUEZSA-N 369.381 1.778 50 40 FDGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(OC)c2)c1 83294505 OZMUGNMAQHIGKA-JMIUGGIZSA-N 357.366 1.332 50 40 FDGB C/C(=N\NC(=O)CSc1ncnc2nc[nH]c12)c1ccc([N+](=O)[O-])cc1 16136950 MALRXXCLFOXHLW-AWQFTUOYSA-N 371.382 1.894 50 40 FDGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccncc1 6234949 BDGKXZITHMXVQU-UHFFFAOYSA-N 365.143 1.827 50 40 FDGB CN1CCN(C(=O)[C@@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)CC1 100868351 MYLKLBIVJDZYHM-HFBAOOFYSA-N 357.292 1.919 50 40 FDGB COc1cc(OC)cc(C(=O)NN[C@@H](C(=O)NC2CC2)c2ccccc2)c1 15475230 MEIDLURRMBPSRU-GOSISDBHSA-N 369.421 1.958 50 40 FDGB C[C@H]1CN(CCNS(=O)(=O)c2ccc(CCCl)cc2)C[C@@H](C)O1 55580556 COXOLWZKIDWFNI-OKILXGFUSA-N 360.907 1.855 50 40 FDGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)C(=O)N1CCOCC1 100931133 ZFJKZGSJXBXOPN-YBFXNURJSA-N 366.805 1.020 50 40 FDGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1cccs1 108992035 RBXQEMHOTZVDSM-ATVHPVEESA-N 365.480 1.703 50 40 FDGB COc1cc(/C=N/NC(=O)C[n+]2ccccc2)cc(OC)c1OC(C)=O 2608621 RHGUIASOVNGHSX-YBFXNURJSA-O 358.374 1.067 50 40 FDGB C/C(N)=C(/C#N)C(=O)CSc1nc2ccccc2c(=O)n1CCCO 9156846 NQSHESNZAXSVQN-ACCUITESSA-N 358.423 1.196 50 40 FDGB N#CC1(C#N)[C@@H](c2ccccc2)[C@H](Br)[C@@]2(O)C[C@]1(C#N)C(=O)N2 13774510 RZIYULXBHNHLCK-DUPGQFARSA-N 371.194 1.299 50 40 FDGB Cc1cccc(-n2nc(C(=O)N/N=C\c3ccncc3)c(C)c(C#N)c2=O)c1 409055197 DGNQEJJWXCOKBO-FMCGGJTJSA-N 372.388 1.880 50 40 FDGB NC(=O)NCCCC(=O)NNC(=O)c1sc2ccccc2c1Cl 8276092 AONNCDMKUXEOCE-UHFFFAOYSA-N 354.819 1.764 50 40 FDGB NC(=O)Cn1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 6258136 LOFFHQSJQQMBQY-AWQFTUOYSA-N 365.349 1.799 50 40 FDGB CCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(C)cc3)C2=O)cc1 100097112 DJAYZJOPKSJQAM-KRWDZBQOSA-N 367.405 1.960 50 40 FDGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H]1CCC(=O)NC1 84064698 HMGQBRYSIGDDEG-GFCCVEGCSA-N 358.423 1.406 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(OCC(F)(F)F)nc2)n1 14375239 HXDZIEVSHTZLTE-UHFFFAOYSA-N 371.319 1.297 50 40 FDGB O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(=O)[nH]c1 16043645 VNMXDQJCSLHHLT-UHFFFAOYSA-N 355.272 1.234 50 40 FDGB Cc1ccc(NCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)c1 68417928 PCMRUPHZWCKSSV-QGZVFWFLSA-N 355.394 1.703 50 40 FDGB Cc1cccc(OCCCC(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)c1 24127834 VYMRFEKTGNAHMZ-CQSZACIVSA-N 368.455 1.126 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1O 2392557 LGQUGJCIRXFSEE-FRKPEAEDSA-N 370.203 1.282 50 40 FDGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 13118468 TZSCUYNJYHMJBA-FSJBWODESA-N 366.377 1.908 50 40 FDGB CCCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccnc3)CC2=O)cc1 32795481 DKASMDPCKQGVMI-INIZCTEOSA-N 366.421 1.848 50 40 FDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1O 4892418 QQAUNQMGOQJYCK-YBFXNURJSA-N 357.366 1.888 50 40 FDGB COCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1 6477566 PYFDQLQXPLCKBW-AWEZNQCLSA-N 359.451 1.830 50 40 FDGB O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 36020371 MYKLHWBNCSKAFA-LZYBPNLTSA-N 360.282 1.738 50 40 FDGB O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc[nH]c1=O 12940942 RXAIDHDUSJGOJP-UHFFFAOYSA-N 355.272 1.234 50 40 FDGB CCn1nc(C(=O)NNC(=O)c2ccccc2O)c2ccccc2c1=O 5392485 ODAOWEBHYXGEPG-UHFFFAOYSA-N 352.350 1.197 50 40 FDGB O=S1(=O)C[C@@H](Br)[C@](Br)(CBr)C1 5003856 VYFRZWPGXYCMAH-UHNVWZDZSA-N 370.888 1.707 50 40 FDGB C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccccc1O 13119198 CAWJVIUCVHQNOI-QGOAFFKASA-N 361.423 1.699 50 40 FDGB O=S1(=O)C[C@H](Cl)[C@H](SS[C@@H]2CS(=O)(=O)C[C@H]2Cl)C1 5002942 DZTDXYWZVGSPLW-ULAWRXDQSA-N 371.354 1.177 50 40 FDGB CC1=C(C(=O)OC(C)(C)C)[C@]2(C(=O)N1)C(C#N)=C(N)Oc1ccccc12 4517210 WOFHNGPYDQOUPE-LJQANCHMSA-N 353.378 1.756 50 40 FDGB O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc(NC(=O)C2CC2)cc1 12548198 PFMPRHIIMDDPDB-UHFFFAOYSA-N 367.409 1.712 50 40 FDGB CCn1c(=O)n2n(c1=O)[C@@H]1C=C[C@H]2[C@@H](Br)[C@H]1Br 100693928 BKZJXAPBDSHINK-SOSBWXJGSA-N 365.025 1.024 50 40 FDGB CN(C)C(=O)[C@@H](NNC(=O)c1cncn1-c1ccccc1)c1ccccc1 9112622 ZREYCFUVDOYSNS-SFHVURJKSA-N 363.421 1.936 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)N(C)C(=S)N(c2ccccc2)C1=O 2303642 MLBVAWROKVSHAV-QBFSEMIESA-N 360.439 1.471 50 40 FDGB O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1COc2ccccc2O1 4579294 OOTWSDPJIIYJCW-WCNLZILPSA-N 371.305 1.614 50 40 FDGB CC(C)(C)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccncc3)cc2C1=O 692410 YIYLLILLFWJYFH-UHFFFAOYSA-N 366.377 1.551 50 40 FDGB Cc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1CCCl 10104385 WHAWGHIKNVEGPO-UHFFFAOYSA-N 351.838 1.743 50 40 FDGB COc1ccc(OC)c(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c1 28615458 SKDSTWKAAMRZGN-HMAPJEAMSA-N 369.421 1.903 50 40 FDGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OCC(N)=O 83292777 DHIPKVATRZXBGR-NHDPSOOVSA-N 371.393 1.722 50 40 FDGB C[C@H]1O[C@@H](Cl)C[C@@H](NC(=O)C(F)(F)F)[C@@H]1OC(=O)C(F)(F)F 5493118 YARBQFHYGPNYKO-KVTDHHQDSA-N 357.634 1.881 50 40 FDGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Br)c1O 6326171 OFDFMSUZWNGYFI-REZTVBANSA-N 372.219 1.386 50 40 FDGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)NCc4cccnc4)[C@@H]13)[C@H]2Br 138805476 USLVVZXMOOAPOT-HKLHZYFVSA-N 351.200 1.269 50 40 FDGB O=C(CNC(=O)c1cccs1)NNC(=O)CN1CCCc2ccccc21 5701787 LRLRCQAEMHTNQH-UHFFFAOYSA-N 372.450 1.078 50 40 FDGB CCn1c(O)c(C(=O)NNC(=O)c2ccccc2)c(=O)c2ccccc21 5432357 MUMIFVJBLOXGTP-UHFFFAOYSA-N 351.362 1.802 50 40 FDGB COc1cccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)c1OC 8940735 KAUFJBRRUJQJHU-UHFFFAOYSA-N 368.187 1.869 50 40 FDGB O=C(COC(=O)c1ccc(OC(F)F)cc1)NNC(=O)c1cccs1 3451995 GKPBEBZYKBQUHK-UHFFFAOYSA-N 370.333 1.968 50 40 FDGB Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2 9602323 VWNWPCBTCPQCNQ-UHFFFAOYSA-N 368.484 1.980 50 40 FDGB COc1ccc(C(=O)NNC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 12851392 JTDVNWHLNJANOY-OAHLLOKOSA-N 371.418 1.959 50 40 FDGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)Cc3ccccc3)CC2=O)c1 12935051 LKOMKNCSGNPTOC-QGZVFWFLSA-N 365.433 1.992 50 40 FDGB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NN(C)c1ccccc1 8358306 DOFKCPOSEZZQHD-LBPRGKRZSA-N 358.423 1.281 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccco1 32794907 GHOUFHDIXIWSHG-AWEZNQCLSA-N 353.378 1.582 50 40 FDGB CSc1cccc(N2C[C@H](C(=O)NNC(=O)c3cccnc3)CC2=O)c1 27063457 ZAJMJJXCSABFRX-CYBMUJFWSA-N 370.434 1.618 50 40 FDGB Cn1nnnc1SCCCC(=O)NNC(=O)c1ccc(Cl)cc1 3376319 LGBDNSQRTUFEFJ-UHFFFAOYSA-N 354.823 1.197 50 40 FDGB N#CC1=C(N)n2c(s/c(=C/c3ccco3)c2=O)=C(C#N)[C@H]1c1ccco1 2346684 HBGHHVGJNJENMJ-LULHVWEPSA-N 362.370 1.047 50 40 FDGB N#CC(=C1Nc2ccccc2N1)c1nc(C#N)c(C#N)nc1N1CCOCC1 944820 LXBKBEIXHWQCEL-UHFFFAOYSA-N 370.376 1.786 50 40 FDGB C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)Cc1ccccc1OC 55353902 CJUPEWWEXZKPPH-UHFFFAOYSA-N 365.389 1.512 50 40 FDGB CN1C(=O)[C@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cccc(Cl)c21 79484396 FPRPRUUGHGUVNG-SFHVURJKSA-N 370.796 1.441 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OC)c(OC)c1 5513323 LFEYIIALYKIKOX-YBFXNURJSA-N 357.366 1.801 50 40 FDGB CCc1nnc(SCC(=O)NNC(=O)c2cc(OC)cc(OC)c2)o1 7604882 PWDLFLPGGFUJIH-UHFFFAOYSA-N 366.399 1.203 50 40 FDGB N#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc(Br)cc1 4942681 JPADETQXMCODCI-SECBINFHSA-N 360.171 1.077 50 40 FDGB O=C(CCC(=O)NNC(=O)CCc1ccccc1)NCc1ccccc1 4587743 RNMMOSMWFORDDT-UHFFFAOYSA-N 353.422 1.863 50 40 FDGB CCOC(=O)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n(CC)n1 253401199 MPQMVSCZZNXDOW-HNNXBMFYSA-N 356.382 1.894 50 40 FDGB Cc1ccc2c(c1)/C(=N/NC(=O)COc1ccccc1[N+](=O)[O-])C(=O)N2 4357888 ULPVAZGTIJNGFI-UHFFFAOYSA-N 354.322 1.755 50 40 FDGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccccc1 408536099 PRKGBWQFACYQGR-DNXFTILCSA-N 368.393 1.285 50 40 FDGB CCCNC(=O)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 23136061 GOAVNZQIBCMWSP-UHFFFAOYSA-N 362.817 1.904 50 40 FDGB CC1=C2c3ccccc3N(C(=O)/C=C\C(=O)O)[C@H]2[C@H]2C(=O)OC(=O)[C@@H]2C1 104306451 FJSQBCXGDFKBPB-INJGESPCSA-N 353.330 1.536 50 40 FDGB O=C(Nc1ccccc1)c1c(O)n(-c2ccccc2)n[n+]1C[C@@H](O)CCl 3765437 ZSXTVZOGLGYIKE-HNNXBMFYSA-O 373.820 1.717 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)COc1ccc(Br)cc1 103087015 DTIWCVFFHGUWLL-XFXZXTDPSA-N 353.172 1.696 50 40 FDGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)[C@H]1COc2ccccc2O1 3325115 BNSTWUPSYQGYBM-YDDPGSGASA-N 373.434 1.875 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(C)c1 12897217 BIZGANZXZWUHGN-UHFFFAOYSA-N 362.407 1.698 50 40 FDGB O=C(CSc1nnnn1-c1ccccc1)NNC(=O)c1cccs1 3431729 SSZRMKDEORCUGM-UHFFFAOYSA-N 360.424 1.277 50 40 FDGB Cc1c(C(=O)N/N=C\c2ccccc2O)nn(-c2ccccc2)c(=O)c1C#N 409056818 OCBUVCZBHSPBCN-UUYOSTAYSA-N 373.372 1.882 50 40 FDGB O=S1(=O)C[C@H](Cl)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C1 575423884 SGIFAZQAAXITST-UONOGXRCSA-N 359.856 1.523 50 40 FDGB O=C(N/N=C/c1ccc2c(c1)OCO2)[C@H](c1ccncc1)N1CCOCC1 20029560 CENKKKMYUYUUQR-IUOVYFEOSA-N 368.393 1.334 50 40 FDGB C[C@H]1CCC/C(=N\NC(=O)C[C@@H]2NC(Cc3ccccc3)=NNC2=O)C1 4764165 XTWOSFYVLXPNSR-FRJQGUSISA-N 355.442 1.703 50 40 FDGB O=C(NNC(=O)c1ccc(Cl)s1)c1csc(N2CCOCC2)n1 12802968 RZCHURARDHSOTH-UHFFFAOYSA-N 372.859 1.769 50 40 FDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccccc2O)c1C#N 13282376 RHLWSSJARWLVMC-AWQFTUOYSA-N 354.366 1.643 50 40 FDGB O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccc2c(c1)OCO2 7428716 PWNRSEGXVVQNBK-UHFFFAOYSA-N 354.771 1.692 50 40 FDGB O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 4651721 COYHOSGBUYLGIB-BVIHXZOGSA-N 350.802 1.777 50 40 FDGB COc1ccc(C(=O)NNC(=O)CCNC(=O)/C=C/c2ccccc2)cc1 10032675 ZGWNUFALPWHTFN-KPKJPENVSA-N 367.405 1.676 50 40 FDGB CCc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3300155 HTVOFCAAJNPYDM-UHFFFAOYSA-N 371.349 1.775 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)cc1 59516043 NBMXNPUAGGQJCV-PXLXIMEGSA-N 352.438 1.952 50 40 FDGB CCC(=O)N1CCN(c2ccc(N3C[C@H](C(=O)Cl)CC3=O)cc2)CC1 72228522 KDZFBUFGYPPOQM-CYBMUJFWSA-N 363.845 1.864 50 40 FDGB NNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 8381297 GEQGERWPCDSWBC-AWEZNQCLSA-N 353.831 1.220 50 40 FDGB COc1ccc(CN(C)CC(=O)NNC(=O)c2ccc(C)cc2)c(OC)c1 19533296 YQVLCYJLJWLSNX-UHFFFAOYSA-N 371.437 1.905 50 40 FDGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)CCc3ccccc3)C2=O)cc1 101687206 WWZPLEAVXPYNRO-QGZVFWFLSA-N 367.405 1.581 50 40 FDGB O=C(Cc1ccc(Cl)cc1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 4957248 JLQSICLPAPKMAX-UHFFFAOYSA-N 369.786 1.800 50 40 FDGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1nccnc1N 10290915 OWCOHDRVAUYVGO-UHFFFAOYSA-N 363.805 1.641 50 40 FDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1)c1ccncc1 409164780 NUAQXFXJYOOBOV-FYJGNVAPSA-N 352.394 1.847 50 40 FDGB N#C/C(=C\N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(Cl)cc1 32021106 SRGUJHNQGFXLEF-GXDHUFHOSA-N 353.831 1.676 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C\c1cccc(F)c1)C1CCCCC1 33538426 SMHZEUGNPGQZME-WQRHYEAKSA-N 355.435 1.870 50 40 FDGB O=C(CN1CCOCC1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 19797820 KPZPDNNCBQMLFM-KGENOOAVSA-N 367.405 1.688 50 40 FDGB Cc1ccccc1-n1ncc(C(=O)NNC(=O)[C@H]2CCCO2)c1C1CC1 32261520 KLLZOGMWFQBESY-MRXNPFEDSA-N 354.410 1.998 50 40 FDGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 32743379 PSXQQLLNNWGDHY-YPMHNXCESA-N 360.863 1.600 50 40 FDGB O=C(COc1ccc(F)cc1)NN[C@H]1CC(=O)N(c2ccccc2)C1=O 100572048 IHQDZQUIURAXLL-HNNXBMFYSA-N 357.341 1.157 50 40 FDGB COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c1 100638095 KDJWYZMOCUDNSM-HNNXBMFYSA-N 356.334 1.367 50 40 FDGB CC(=O)NC1(C(=O)NNC(=O)c2cc(Br)c[nH]2)CCCCC1 84752894 KLZIGUNKSSJVKZ-UHFFFAOYSA-N 371.235 1.377 50 40 FDGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1 6860541 AOQNHRQWCDISGJ-KLUNEYRZSA-N 360.410 1.657 50 40 FDGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc2c1OCO2 2493374 LEMYLEOOQWKHGO-CQSZACIVSA-N 354.318 1.904 50 40 FDGB CCNC(=S)NNC(=O)[C@H](NC(=O)c1ccccc1OCC)C(C)C 2650336 HRKMWQVXXYJAAF-CQSZACIVSA-N 366.487 1.355 50 40 FDGB O=C(NCCc1c[nH]c2ccccc12)N[C@H]1CS(=O)(=O)C[C@H]1Cl 575420804 FEBBJARXNHDQCQ-OCCSQVGLSA-N 355.847 1.414 50 40 FDGB CN(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccc(F)cc1 6544681 XHRRVXXKOABBAV-VXLYETTFSA-N 367.377 1.736 50 40 FDGB Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)NC2CCCCC2)cc1 3253436 MBWICGAGPMUOCE-UHFFFAOYSA-N 354.432 1.530 50 40 FDGB CNc1ccc(C(=O)NNC(=O)CNc2ccccc2OC)cc1[N+](=O)[O-] 32883646 NYTCAOCRPBLVPH-UHFFFAOYSA-N 373.369 1.518 50 40 FDGB CCOC(=O)Nc1cccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1 12666814 WXSCSBFWNSHYJH-UHFFFAOYSA-N 359.386 1.530 50 40 FDGB CCn1nc(C(=O)NNC(=O)[C@H]2CC2(Cl)Cl)c2ccccc2c1=O 14197403 QSYATWBAKZDBKT-SNVBAGLBSA-N 369.208 1.371 50 40 FDGB COc1cc(OC)cc(C(=O)NNC(=O)CNC(=O)c2ccccc2C)c1 7787268 ZECRKVNERWDBOU-UHFFFAOYSA-N 371.393 1.203 50 40 FDGB NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 194120460 KZGBALQBSIMURH-UHFFFAOYSA-N 370.228 1.853 50 40 FDGB O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102202561 COYHOSGBUYLGIB-GVARAGBVSA-N 350.802 1.777 50 40 FDGB O=C(CO)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 58882238 QWCIZBFKQDUIDB-DJKKODMXSA-N 361.785 1.800 50 40 FDGB Cc1c(C(=O)N/N=C\c2ccc(O)cc2)nn(-c2ccccc2)c(=O)c1C#N 409054534 BJHVNXTUWSPLRF-UUYOSTAYSA-N 373.372 1.882 50 40 FDGB CCOC(=O)/C=C/C(=O)NNC(=O)CSc1nc2ccccc2s1 3287350 KFHJYOOPIJEYPW-BQYQJAHWSA-N 365.436 1.655 50 40 FDGB Cc1cc(C)nc(SCC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1 5541550 IHZLWEWEOVDWRJ-UHFFFAOYSA-N 361.383 1.555 50 40 FDGB COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 4550456 YLPFMFFAHIGIHQ-GIJQJNRQSA-N 358.310 1.825 50 40 FDGB O=C(NN[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O)c1ccncc1 35682664 MGIFCCLXISXBBR-OAHLLOKOSA-N 369.425 1.359 50 40 FDGB Cc1cc(C)cc(OCC(=O)NC(=S)NNC(=O)c2ccncc2)c1 32119132 AAQLKLUJMLOUOR-UHFFFAOYSA-N 358.423 1.413 50 40 FDGB COc1cc(/C=N/NC(=O)c2c(Br)cnn2C)ccc1O 993845 AOLJUVMVPOLFES-GIDUJCDVSA-N 353.176 1.661 50 40 FDGB COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)O)cc1OC 12504723 JWTSCHAZXOZFLS-GHXNOFRVSA-N 370.365 1.434 50 40 FDGB O=C(N/N=C/c1c(-c2ccccc2)nc2ccccn12)c1cc(=O)[nH]c(=O)[nH]1 12558509 UDDOPZATZXIVDG-RGVLZGJSSA-N 374.360 1.142 50 40 FDGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc([N+](=O)[O-])c1O 12954197 GRAYXEGAQNAMEI-CYBMUJFWSA-N 371.305 1.789 50 40 FDGB O=C(NCc1ccncc1)C(=O)N/N=C/c1cccc(Br)c1 409185982 UHIKBACUOAAVKS-VXLYETTFSA-N 361.199 1.611 50 40 FDGB COc1ccc(C(=O)NN)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224775956 VCFHVTXIUGRBPD-UHFFFAOYSA-N 363.439 1.428 50 40 FDGB O=C(CNC(=O)c1ccccc1)N/N=C/c1ccc(Br)o1 2675634 KFNYMKXGYRFOMG-CAOOACKPSA-N 350.172 1.922 50 40 FDGB CCn1nc(C(=O)NNC(=O)CNc2ccccc2)c2ccccc2c1=O 14077197 VZJDRCQKSRYGOU-UHFFFAOYSA-N 365.393 1.290 50 40 FDGB CCc1noc(C)c1C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 8241485 GCTMTQFFNUCZML-UHFFFAOYSA-N 369.381 1.350 50 40 FDGB Cc1cc(C(=O)NNC(=S)NCc2ccccc2)c2c(C)nn(C)c2n1 17075597 YAJZTADNZMLCMF-UHFFFAOYSA-N 368.466 1.894 50 40 FDGB COC(=O)c1cnn(C)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253396283 DNILTHRZAXEERC-ZDUSSCGKSA-N 356.382 1.658 50 40 FDGB O=S1(=O)C[C@H](NC(=S)Nc2ccc3ncccc3c2)[C@@H](Cl)C1 575425788 WODDRGVICRHYGO-AAEUAGOBSA-N 355.872 1.926 50 40 FDGB COc1ccc(C(=O)NNC(=O)COC(=O)c2ccccc2O)cc1OC 9452812 JDSPDGYJCNWLFA-UHFFFAOYSA-N 374.349 1.027 50 40 FDGB O=C(NCc1cccc(NC(=O)C2CCC2)c1)NNC(=O)[C@@H]1CCCO1 72264296 FQYLAYHFMAICTP-HNNXBMFYSA-N 360.414 1.435 50 40 FDGB CC(C)CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 10160307 LUOUFKSQEWXLMJ-UHFFFAOYSA-N 361.851 1.154 50 40 FDGB COc1ccc(OC)c(N2C(=O)C[C@@H](NNC(=O)c3ccccc3)C2=O)c1 2351142 XGHKOIKZFZGQJT-CQSZACIVSA-N 369.377 1.270 50 40 FDGB COc1ccc(C(=O)N/N=c2/oc3c(OC)cccc3cc2C(N)=O)cc1 10386867 MBRPCPOZOOYLAH-ZBJSNUHESA-N 367.361 1.795 50 40 FDGB COc1ccc(CC(=O)NNC(=O)COc2ccc3nccnc3c2)cc1 4702597 XRLUHGGFCFIWKF-UHFFFAOYSA-N 366.377 1.407 50 40 FDGB CC1(C)N(N)C(O)=Cc2c3c(nn21)OC(N)=C(C#N)[C@H]3c1cccnc1 16605571 LJVQCRQLTXAIDG-CYBMUJFWSA-N 351.370 1.235 50 40 FDGB COC(=O)[C@H]1[C@@H]2C[C@@H]([C@@H](Br)[C@H]2Br)[C@@H]1C(=O)OC 4769254 KBRJVBWTARLNHP-YXZCBUPGSA-N 370.037 1.742 50 40 FDGB O=C(NNC(=O)c1ccc[nH]1)c1ccc(=O)n(Cc2ccccc2Cl)c1 9752221 DREKMLCVTJDSHF-UHFFFAOYSA-N 370.796 1.953 50 40 FDGB COc1ccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)cc1 20060434 PFJQVJMCXUOGFH-MHWRWJLKSA-N 351.384 1.205 50 40 FDGB COc1ccc(/C(C)=N/NC(=O)Cn2nnc3ccccc32)cc1OC 7855563 WCZBEQLZUSFFBC-XDHOZWIPSA-N 353.382 1.989 50 40 FDGB COc1ccccc1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@@H]21 101307159 KASBDDHYTZIXMM-JPASZVISSA-N 374.871 1.535 50 40 FDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccnc1 58916059 RLEMARIZRSHZGN-XDHOZWIPSA-N 355.354 1.590 50 40 FDGB CC(C)C[C@@H](C(=O)NNC(=O)c1ccco1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 7785021 TUYCZHYQKWRYTJ-MJBXVCDLSA-N 373.409 1.407 50 40 FDGB CCc1noc(C)c1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 8141055 TUBAOVBEIRFUAR-UHFFFAOYSA-N 363.370 1.646 50 40 FDGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)C[C@@H]1O 195525420 GHCYFLRPIRMTTP-SRVKXCTJSA-N 366.494 1.790 50 40 FDGB O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 2312107 PMTODVMNYIZRJS-YBFXNURJSA-N 357.366 1.427 50 40 FDGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)OC)c(OC)c1 23382643 YGZFVPHFUVWKAS-NTEUORMPSA-N 362.382 1.307 50 40 FDGB COc1cc(Cl)ccc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 12601730 RNYMCLXHJFXMCW-UHFFFAOYSA-N 372.768 1.660 50 40 FDGB CC1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1=O 10023754 KPBVMTHRWROYMN-UHFFFAOYSA-N 360.414 1.076 50 40 FDGB CCOc1ccccc1OCC(=O)NNC(=O)COc1cccc(F)c1 25413853 DDSKQJYVWWPBCP-UHFFFAOYSA-N 362.357 1.830 50 40 FDGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(=O)(=O)NC(C)=O)cc2)o1 252487945 IFJZMDAPIGGXRH-LCYFTJDESA-N 374.374 1.851 50 40 FDGB O=C(CI)Nc1ccc2oc(=O)c(C(=O)O)cc2c1 1621281 YONNYWHCUUIWFA-UHFFFAOYSA-N 373.102 1.865 50 40 FDGB N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 9234284 SJEYOKMYCIRMMV-RVDMUPIBSA-N 372.381 1.197 50 40 FDGB CCCCCOC[C@@H]1C[C@@](C/C(C)=N/NC(N)=O)(C(=O)OCC)[C@H](O)O1 4507270 TYAAAKIWNBMSMN-WVDOSHCESA-N 373.450 1.284 50 40 FDGB CC[C@H](C)NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc2c(c1)OCO2 4834173 WISWKOIUYCIQBD-UJUVVDQMSA-N 362.386 1.151 50 40 FDGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1cccc(C)c1 223467972 YRWCRMLUHGERGW-UHFFFAOYSA-N 363.439 1.497 50 40 FDGB O=S1(=O)C[C@H](NS(=O)(=O)Cc2ccccc2Cl)[C@@H](Cl)C1 4782932 KXFSWAGUYCTARI-QWRGUYRKSA-N 358.268 1.164 50 40 FDGB O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1ccco1 23109297 XODMRNDILUIAPA-UHFFFAOYSA-N 355.325 1.704 50 40 FDGB Cc1ccccc1-n1ncc(C(=O)NNC(=O)[C@@H]2CCCO2)c1C1CC1 32261519 KLLZOGMWFQBESY-INIZCTEOSA-N 354.410 1.998 50 40 FDGB COC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)CC(=O)N1 708580 MXKNDCIRPMZSFG-NSHDSACASA-N 362.407 1.949 50 40 FDGB CC(C)(C)OOC(=O)C12C3[C@@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 101046255 LAYBNBYOXYTONB-PHMDWZFCSA-N 371.227 1.888 50 40 FDGB Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C/c1ccccc1Cl 2374619 AYCZPZQRJQKALX-KEBDBYFISA-N 370.796 1.937 50 40 FDGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccccc12 4313871 RSJJBWZKIRJCGD-GOSISDBHSA-N 355.350 1.064 50 40 FDGB C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(CO)c2ccccc21 5437350 LJGRAPKWBNLOPK-GIGQVBGESA-N 351.362 1.198 50 40 FDGB O=C(CN1CCCCCC1=O)NNC(=O)c1csc(-c2ccccc2)n1 9315177 PQWRUHHCQYZURX-UHFFFAOYSA-N 372.450 1.974 50 40 FDGB CCn1c(SCC(=O)NNC(=O)c2ccccn2)nnc1-c1ccco1 7653080 GVERLRXNSNLHQV-UHFFFAOYSA-N 372.410 1.506 50 40 FDGB COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c(OC)c1 408755245 ZUCSKXZPDBZUNM-BKUYFWCQSA-N 355.394 1.860 50 40 FDGB N#Cc1cccc(OCC(=O)NNC(=O)COc2cccc(C#N)c2)c1 40158866 NRKSHOJTVSXNKX-UHFFFAOYSA-N 350.334 1.035 50 40 FDGB COc1cccc(C(=O)N/N=C/c2cn(CC(N)=O)c3ccccc23)c1 5986333 IJFREOSVNUMKLG-UFFVCSGVSA-N 350.378 1.899 50 40 FDGB O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc2c(c1)OCO2 30791450 ZNRQDPSNGNIKEW-XFYISHJFSA-N 351.362 1.395 50 40 FDGB CN1c2ccsc2/C(=N/NC(=O)c2c(F)cccc2F)CS1(=O)=O 1386836 DKCXBONSLYYOJJ-LICLKQGHSA-N 371.390 1.940 50 40 FDGB Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3cccnc3)C2=O)cc1Cl 101452106 PCYAOLDYRQCVAY-AWEZNQCLSA-N 358.785 1.610 50 40 FDGB O=C(COc1cccc2ccccc12)NNC(=O)C(=O)NC1CCCCC1 9425741 KEHWTZCTHVSYTJ-UHFFFAOYSA-N 369.421 1.815 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cccc(F)c1 408615385 PSLYWZBZFRAUPO-LBPRGKRZSA-N 359.332 1.779 50 40 FDGB NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccc([N+](=O)[O-])cc1 1889258094 KGTTVPIOHRDXQM-JZJYNLBNSA-N 352.306 1.686 50 40 FDGB CO[C@@H](CI)[C@H](CI)OC 4722391 XKAANJFSVANRGV-WDSKDSINSA-N 369.968 1.886 50 40 FDGB N#C/C(=C\c1ccc(I)o1)C(=O)N1CCOCC1 1211092 QUUHJDDFJNKKQJ-VQHVLOKHSA-N 358.135 1.650 50 40 FDGB COc1ccccc1NC(=O)NNC(=O)Cn1nnc(-c2ccccc2)n1 3342882 LKMIQZZYUURGJZ-UHFFFAOYSA-N 367.369 1.202 50 40 FDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1 409165358 XBQICYZKMGZWFC-SRZZPIQSSA-N 368.393 1.209 50 40 FDGB COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccccc1[N+](=O)[O-] 5553087 LKSMTAOWNVQQAI-MRXNPFEDSA-N 373.321 1.716 50 40 FDGB Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccco3)C2=O)cc1 6502067 AORZMHMYBKVYKN-KBSHCFNASA-N 354.322 1.203 50 40 FDGB Cc1n[nH]c(NNC(=O)COc2ccc(Br)cc2)c1[N+](=O)[O-] 4284799 NENHVYZEBZCANP-UHFFFAOYSA-N 370.163 1.911 50 40 FDGB COc1ccc(NC(=S)NNC(=O)Cn2nnc3ccccc32)cc1 642419 BYVVKNBZYKCAMK-UHFFFAOYSA-N 356.411 1.458 50 40 FDGB CC(C)CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 20244091 UFMZTWPSJWPFCT-LASGFXPTSA-N 361.442 1.857 50 40 FDGB CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1cccc([N+](=O)[O-])c1 409028398 NFBXMWOLTRXJFR-UHFFFAOYSA-N 368.415 1.797 50 40 FDGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2snnc2CC)cc1 45823927 BWMGKLQHNLXGTM-SNVBAGLBSA-N 364.427 1.728 50 40 FDGB CNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 6205016 RLLLTDCDHXRIEF-LCYFTJDESA-N 359.407 1.720 50 40 FDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OC)cc1 59434138 HOFOXXNDWSLBTK-UDWIEESQSA-N 369.377 1.961 50 40 FDGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1 2697899 YWTYBBZDAVPOJF-KRWDZBQOSA-N 374.393 1.975 50 40 FDGB COc1cccc(NC(=S)NNC(=O)CCn2cc([N+](=O)[O-])cn2)c1 13554816 PGKLNIRBCLXTFX-UHFFFAOYSA-N 364.387 1.208 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1cccnc1 18173162 SOEFYCMOZMXKLD-UHFFFAOYSA-N 356.201 1.467 50 40 FDGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H]1CCC(=O)NC1 84064700 HMGQBRYSIGDDEG-LBPRGKRZSA-N 358.423 1.406 50 40 FDGB CCOc1ccccc1N(CC(=O)NN=C1CCCC1)S(C)(=O)=O 408784190 UHICGOZMSUHEHE-UHFFFAOYSA-N 353.444 1.898 50 40 FDGB O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 669840 QRXZDYYHUBYJLV-UHFFFAOYSA-N 355.759 1.872 50 40 FDGB COc1cccc([C@H]2[C@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 808789 MBCQANQVBIAVQP-OALUTQOASA-N 373.416 1.967 50 40 FDGB Cc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1 882657 YTDYLRZTCXVNKV-UHFFFAOYSA-N 358.383 1.117 50 40 FDGB CCCn1nc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)ccc1=O 23606196 CONPNRITIWDHDA-CQSZACIVSA-N 372.425 1.499 50 40 FDGB COCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 6441098 BDEVGRFZUXNBOT-CQSZACIVSA-N 359.451 1.911 50 40 FDGB COc1cccc(/C=N/NC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)c1O 1765575 IAQXBAMUJLBRJX-CPWFCVNUSA-N 361.358 1.834 50 40 FDGB COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(C)c1ccccc12 1903614 RFZXSANTVCRZBT-IBGZPJMESA-N 369.377 1.088 50 40 FDGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(N2CCCC2=O)c1 8141434 DYBSNPVYXQBHJS-UHFFFAOYSA-N 367.361 1.617 50 40 FDGB O=C(NCCc1c[nH]c2ccccc12)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 575420805 FEBBJARXNHDQCQ-TZMCWYRMSA-N 355.847 1.414 50 40 FDGB COc1ccc([C@@H]2C(=O)[C@H](Cl)N2Nc2nc(C)cc(=O)[nH]2)cc1OC 16958249 RGBJJLZMTVPYKT-UKRRQHHQSA-N 364.789 1.613 50 40 FDGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1 6860513 AOQNHRQWCDISGJ-ABNPOPBRSA-N 360.410 1.657 50 40 FDGB C=CCN1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 5668293 MHLRZJYBHHLMOK-FQMKLWGBSA-N 363.373 1.880 50 40 FDGB CCc1ccc(C(=O)NNC(=O)Cn2c(=O)cnc3ccccc32)cc1 18095323 SHBCGMXBZSEWHB-UHFFFAOYSA-N 350.378 1.420 50 40 FDGB O=C(N/N=C/c1ccc2c(c1)OCO2)N/N=C/c1ccc2c(c1)OCO2 1040450 VMYVZWHXBKXIBH-NDILIQOGSA-N 354.322 1.811 50 40 FDGB CC[C@@H](C)/C(C)=N/NC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 4402422 IWICJLOTDXSJHJ-ILJRITOVSA-N 356.404 1.411 50 40 FDGB Cc1cc2c(c(=O)n1CCO)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 4851059 AVEFWUNWLHKXIG-MRXNPFEDSA-N 367.361 1.096 50 40 FDGB O=C(NNC(=O)c1ccccc1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 12976253 NPULULUZFGWOQN-UHFFFAOYSA-N 370.300 1.389 50 40 FDGB Cc1cc(C)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1C 575422995 NGPDLCULJABOLC-RYUDHWBXSA-N 351.877 1.295 50 40 FDGB COc1cccc(N2C(=O)C[C@H](NNC(=O)c3cccc(Cl)c3)C2=O)c1 100097030 HBKWXCBOAABLDA-HNNXBMFYSA-N 373.796 1.915 50 40 FDGB O=C(NCCCl)NNC(=O)c1ccc(NC(=O)NCCCl)cc1 3225441 BTQFZZKQNCYDST-UHFFFAOYSA-N 362.217 1.230 50 40 FDGB CCOC(=O)NNS(=O)(=O)c1c(F)cc(F)cc1Br 12694820 AMWJGIUITFJXFC-UHFFFAOYSA-N 359.148 1.667 50 40 FDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc2ccccc2oc1=O 12989844 HOIBKANZLNOTKN-INIZCTEOSA-N 366.329 1.394 50 40 FDGB N#Cc1ccccc1OCC(=O)NNC(=O)Cc1noc2ccccc12 8247635 CUPHTLBLNSPQKV-UHFFFAOYSA-N 350.334 1.468 50 40 FDGB CCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)cc1 223158089 OBLNYOUYMDEXLB-NDENLUEZSA-N 369.377 1.961 50 40 FDGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2ccccn2)c1[N+](=O)[O-] 1092693 FQVUXAYGNSRYKP-GIJQJNRQSA-N 358.310 1.688 50 40 FDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1 4115154 FZCZSLFFOZIVBY-MGPUTAFESA-N 356.389 1.148 50 40 FDGB O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc(OC(F)F)cc1 12601593 LMENSJBHPWXRNR-UHFFFAOYSA-N 350.325 1.965 50 40 FDGB O=C(CNC(=O)c1ccc(Br)cc1)N/N=C/c1cccnc1 2268101 MRXDNWYYVAQTQX-DJKKODMXSA-N 361.199 1.724 50 40 FDGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 5128115 BEBSWMOIEFTENJ-YZGPZLFDSA-N 358.394 1.781 50 40 FDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccn2)cc1OC 17441303 JMYUMSXFJOVONL-UDWIEESQSA-N 354.366 1.744 50 40 FDGB O=C(N/N=C/c1ccco1)C1CCN(S(=O)(=O)c2ccccc2)CC1 4524985 MLVBKQKUENQFGA-QGOAFFKASA-N 361.423 1.831 50 40 FDGB CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C(\C#N)C(=O)NC2CC2)o1 59087230 OYSKLERITFPGNS-FMIVXFBMSA-N 362.411 1.140 50 40 FDGB C=CCC/C(C)=N\NC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 3897223 KMDPTZNTMHYMPJ-WJDWOHSUSA-N 354.388 1.331 50 40 FDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)COc1ccccc1C#N 6543528 ITRACNCKNMRSBJ-LBPRGKRZSA-N 357.341 1.691 50 40 FDGB Cn1c(NNC(=O)C(c2ccccc2)c2ccccc2)cc(=O)n(C)c1=O 2706535 YKOBBDAGJQFROM-UHFFFAOYSA-N 364.405 1.359 50 40 FDGB O=C(Cn1nnc(-c2ccccc2)n1)NNC(=S)NCc1ccccc1 907190 IDVAGQFOYOFKGP-UHFFFAOYSA-N 367.438 1.036 50 40 FDGB CO[C@H](CI)[C@@H](CI)OC 4722390 XKAANJFSVANRGV-PHDIDXHHSA-N 369.968 1.886 50 40 FDGB Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(C)s2)n1 8328414 SWMCFYCQQUCJCU-UHFFFAOYSA-N 353.425 1.368 50 40 FDGB COc1cccc(N2/C(=N/C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 5369445 FPOZLAHCCBXPOF-LQTLPLJTSA-N 374.871 1.535 50 40 FDGB CCn1nc(C(=O)NNC(=O)Cc2ccccc2F)c2ccccc2c1=O 6454712 XQOHXKQQEKVTKS-UHFFFAOYSA-N 368.368 1.559 50 40 FDGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1OC 409300768 BAWHPOIVLKLMMA-NHDPSOOVSA-N 371.393 1.722 50 40 FDGB COC(=O)COc1cccc(/C=N/NC(=O)COc2ccc(OC)cc2)c1 408827675 FVXCWNAZHUYNDV-RGVLZGJSSA-N 372.377 1.776 50 40 FDGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1C 225586078 ILDDOMJAFVZHTL-NHMCJKAESA-N 372.421 1.741 50 40 FDGB CNC(=O)/C(C#N)=C/c1cn(CC(=O)NCCCOC)c2ccccc12 5015238 INTMFDRSKCGXIU-GXDHUFHOSA-N 354.410 1.447 50 40 FDGB CN(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 8042706 QFRWZTRXABDZSR-VCHYOVAHSA-N 366.830 1.506 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)N=C(O)N(c2cccc(OC)c2)C1=O 6782949 QFNCVCFDZJLBFE-RAXLEYEMSA-N 360.370 1.177 50 40 FDGB NNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 409390193 JZESEGIBFSIFKU-QMMMGPOBSA-N 352.243 1.384 50 40 FDGB C=C(C)C(=O)OC[C@H](O)CNCCC[Si](OCC)(OCC)OCC 196196046 AKCXOKXVIWTINO-OAHLLOKOSA-N 363.527 1.495 50 40 FDGB Cc1ccc(C(=O)NNC(=O)CNS(=O)(=O)/C=C/c2ccccc2)cc1 10215133 PVNZMEVJJILMLB-VAWYXSNFSA-N 373.434 1.346 50 40 FDGB CN(C)N(C(=O)COc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 8939278 HSTZPAUUAMIKKV-HNNXBMFYSA-N 362.451 1.711 50 40 FDGB CCc1sc(C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1C 25395558 FGHCTRZHSZIOBO-ZDUSSCGKSA-N 374.466 1.660 50 40 FDGB O=C1[C@@H](Cl)[C@H](N2CCOCC2)C(=O)C(Cl)(Cl)C1(Cl)Cl 23230717 BKDGUUUHJSSMQN-WDSKDSINSA-N 369.459 1.794 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1 4965868 CBPMDNOTZBWQCO-UHFFFAOYSA-N 369.425 1.228 50 40 FDGB C/C(=N\NC(=O)C[C@H]1NC(Cc2ccccc2)=NNC1=O)c1ccccc1 4752193 IXASHMYQZGCHIA-FEMWLQECSA-N 363.421 1.561 50 40 FDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(OC)c2)cc1 223157899 SHYJNWUSCPEGFL-ODLFYWEKSA-N 355.350 1.571 50 40 FDGB O=S1(=O)C[C@@H](Cl)[C@H](NS(=O)(=O)Cc2ccccc2Cl)C1 4782938 KXFSWAGUYCTARI-GHMZBOCLSA-N 358.268 1.164 50 40 FDGB COc1cccc(C(=O)NN[C@@H]2CC(=O)N(c3cccc(OC)c3)C2=O)c1 100141863 QKYROYDLWMFPTL-MRXNPFEDSA-N 369.377 1.270 50 40 FDGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC)c(OC)c1 3057571 SAHZQHGFHMOEOG-YBFXNURJSA-N 357.366 1.801 50 40 FDGB Cc1cc2c(c(=O)n1CCN(C)C)[C@H](c1cccnc1)C(C#N)=C(N)O2 2252642 QXMPFCZTWUCZAP-MRXNPFEDSA-N 351.410 1.332 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)N=C(O)N(CCc2ccccc2)C1=O 1819693 SEUPKOCCDYPCDQ-OWBHPGMISA-N 358.398 1.207 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 58885036 IQQFHKLGMPMNFH-VCHYOVAHSA-N 372.337 1.701 50 40 FDGB CCC[C@H](CCC(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)O 26807626 WXMPVXBOXJJPEX-GFCCVEGCSA-N 351.359 1.566 50 40 FDGB O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccc(NC(=O)C2CC2)cc1 5447852 YCEDKBMRXBWBFZ-LSDHHAIUSA-N 373.409 1.687 50 40 FDGB COc1ccc(C(=O)N/N=C\c2ccccc2OCC(N)=O)cc1OC 6441718 TZDOUDMTWKWUGN-JMIUGGIZSA-N 357.366 1.332 50 40 FDGB O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 12944322 KWIDWEBSZGCOAC-UHFFFAOYSA-N 368.798 1.735 50 40 FDGB O=C(COc1ccccc1Cl)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 6336950 YFTQMDKCXOPTIJ-GHMZBOCLSA-N 354.790 1.757 50 40 FDGB C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(CO)c2ccccc21 5437351 LJGRAPKWBNLOPK-OVWNDWIMSA-N 351.362 1.198 50 40 FDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc4c(c3)OCO4)[C@H]2C1 19851999 JOJWVFHLEUYSKY-MAUKXSAKSA-N 359.389 1.770 50 40 FDGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](O)[C@H]3Br)[C@H]2C(=O)N1Cc1ccccc1 103016467 ODNUEARIKRPROV-KJKVDNPUSA-N 350.212 1.562 50 40 FDGB CCCc1c(C(=O)N/N=C(\C)c2ccccc2O)nnn1-c1nonc1N 9234309 RNSUMNJKZIRBCO-GIJQJNRQSA-N 370.373 1.045 50 40 FDGB NC(=O)N[C@H](CC(=O)NNC(=O)c1cccs1)c1ccc(Cl)cc1 6509801 AYQKWFMHLMOYEU-LLVKDONJSA-N 366.830 1.962 50 40 FDGB CCn1c(C)nc2cc(C(=O)NNC(=O)CN3CCSC3=O)ccc21 14877523 NHRNDNHEBACPQL-UHFFFAOYSA-N 361.427 1.294 50 40 FDGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c(OC)c1 33731666 CUYDLFUATGSNDC-VXLYETTFSA-N 358.350 1.931 50 40 FDGB COCc1n[nH]c2c1[C@@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2 4149880 DAUCSHQRCZFXQX-ZDUSSCGKSA-N 372.381 1.800 50 40 FDGB Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)c1ccc(Br)o1 8944250 ALOUTKJSHABPIZ-UHFFFAOYSA-N 357.120 1.364 50 40 FDGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1C(=O)O 1895022 CUDNPXDTAMOWEV-UHFFFAOYSA-N 355.350 1.565 50 40 FDGB O=C(NNS(=O)(=O)c1cc(F)ccc1F)c1ccc2c(c1)OCCO2 12894714 TZVCBFZMZYHGSI-UHFFFAOYSA-N 370.333 1.359 50 40 FDGB Cc1c(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)ccc2cncn12 95465124 QZJLBCNZDBTYFN-UHFFFAOYSA-N 352.350 1.489 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2cccnc2)cc1Br 14015553 GKHRTBPDRMJEKH-UHFFFAOYSA-N 350.172 1.928 50 40 FDGB Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c(C)c1C 7726044 WDCCZGDEGGWJAG-UHFFFAOYSA-N 355.460 1.063 50 40 FDGB N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)NC(N)=O 409233230 DTTFRIMBQWHWQX-BHQIHCQQSA-N 355.104 1.165 50 40 FDGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)O 95471928 QVTXXKNDYRJNNC-MFOYZWKCSA-N 356.294 1.382 50 40 FDGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccco1 6227105 CYFLVTHPAGRHCL-ZBPACCJBSA-N 358.285 1.034 50 40 FDGB O=C(CCN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccnc1 22030512 QJQKZNTYQHRJEG-CJLVFECKSA-N 351.454 1.740 50 40 FDGB Cc1cc(C)cc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)c1 409185248 UWDXGOJRDODKRM-UHFFFAOYSA-N 366.487 1.267 50 40 FDGB O=C(CSc1nnc(-c2ccc(O)cc2)o1)NNC(=O)c1ccncc1 15935993 LGUOIERRHRFHEB-UHFFFAOYSA-N 371.378 1.391 50 40 FDGB Cn1cc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1 707339 RCSQEABFLJPOGC-UHFFFAOYSA-N 357.595 1.911 50 40 FDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl 6890159 YKAHISWPJHSFAT-GIJQJNRQSA-N 369.805 1.908 50 40 FDGB CCn1c(=O)c(C(=O)NNC(=O)c2ccccc2F)c(O)c2ccccc21 100551280 KVGPPPLSVZOOST-UHFFFAOYSA-N 369.352 1.941 50 40 FDGB COc1cc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)ccc1O 706949 JEPOZSCDXSENES-AWQFTUOYSA-N 352.350 1.261 50 40 FDGB CC(C)(C)OOC(=O)C12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2 101046258 LAYBNBYOXYTONB-SUOFXSCMSA-N 371.227 1.888 50 40 FDGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(Cl)cc2)c(=O)c1C#N 98087300 RKBOYFKPIIMDIY-ZVBGSRNCSA-N 372.812 1.979 50 40 FDGB O=C1N=C(O)N(C2CCCCC2)C(=O)/C1=C/NNC(=O)c1ccccc1O 4857274 FGFMNDGGDHYLKQ-JLHYYAGUSA-N 372.381 1.126 50 40 FDGB O=NN(CC(=O)N/N=C\c1ccccc1)CC(=O)N/N=C/c1ccccc1 31623514 DBHBVHMBMRHDLM-UHWBUFEVSA-N 366.381 1.270 50 40 FDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1OC 5512832 UIDBNJOTWJWCHY-RGVLZGJSSA-N 357.366 1.620 50 40 FDGB CCc1n[nH]c(C(=O)NNC(=S)Nc2ccc3c(c2)OCCO3)c1C 18191321 TZBRRWFDKYBNBC-UHFFFAOYSA-N 361.427 1.683 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)cc1OC 860689 YKALQKTXVVEJEP-UHFFFAOYSA-N 368.345 1.885 50 40 FDGB COc1cccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 101313711 FPOZLAHCCBXPOF-AZNAFKMUSA-N 374.871 1.535 50 40 FDGB Cc1cccc(C(=O)NNC(=O)Cc2csc(N3CCOCC3)n2)c1 14187126 HOLKWCNDTUIMSH-UHFFFAOYSA-N 360.439 1.292 50 40 FDGB O=C(NN/C=C1/C(=O)N(c2ccccc2)C(=O)N=C1O)c1ccccc1 4811582 JDMLABHHIYYWML-SDNWHVSQSA-N 350.334 1.928 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCC(=O)O 408965499 HUENVNMFKMGHIW-ZVBGSRNCSA-N 371.324 1.933 50 40 FDGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c(OC)c1 20086793 DNPKXSMBAKUQTD-MRXNPFEDSA-N 353.378 1.929 50 40 FDGB C=CCNS(=O)(=O)C[C@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br 100983508 QJELJJBDLLJESP-XRRVDJEJSA-N 350.278 1.861 50 40 FDGB COc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc1OC 2637286 AZXKFCQGLNKECR-YBFXNURJSA-N 366.381 1.508 50 40 FDGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NNC(=O)C2CC2)cc1 12932520 KTUWSUKCLZHBSX-OAHLLOKOSA-N 367.471 1.245 50 40 FDGB O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 4313569 JERHWUPVRXSAAK-UHFFFAOYSA-N 355.759 1.872 50 40 FDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(c1ccccc1)c1ccccc1 7955372 AAMAAFQYCLPTGJ-INIZCTEOSA-N 372.446 1.401 50 40 FDGB O=NN(CC(=O)N/N=C\c1ccccc1)CC(=O)N/N=C\c1ccccc1 31623513 DBHBVHMBMRHDLM-YZLQMOBTSA-N 366.381 1.270 50 40 FDGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1ccccc1Cl 2276609 DGPFDIDUCNUGPA-MSGYXIIISA-N 373.796 1.746 50 40 FDGB CCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(C)cc3)C2=O)cc1 2361436 DJAYZJOPKSJQAM-QGZVFWFLSA-N 367.405 1.960 50 40 FDGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(OC(F)F)cc1 6567072 ADRDZAOAAFODOD-UHFFFAOYSA-N 374.303 1.599 50 40 FDGB COc1ccc(N2C(=O)C[C@H](NNC(=O)CCc3ccccc3)C2=O)cc1 18271461 WWZPLEAVXPYNRO-KRWDZBQOSA-N 367.405 1.581 50 40 FDGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(OC)ccc2OC)c1 5514603 AXCFKDJURCUVJE-YBFXNURJSA-N 357.366 1.801 50 40 FDGB COC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C[C@H]1[C@@H](Br)[C@H]2Br 4409305 CEKJTNRDLCMPHH-NTZPWTIWSA-N 356.010 1.653 50 40 FDGB COc1cc(/C=N/NC(=O)[C@H]2C=NNC2=O)ccc1OCc1ccccc1 100948858 GKJPQLPEPMZBJD-IXJMWADBSA-N 366.377 1.456 50 40 FDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3CCC(C)CC3)nc12 2202714 PRFOJZHLVMMMCO-GXDHUFHOSA-N 351.410 1.632 50 40 FDGB O=C(CCc1nnc(-c2ccccc2)o1)NNC(=O)c1cccc(O)c1 24607136 UDKUSPVXUYSRGO-UHFFFAOYSA-N 352.350 1.836 50 40 FDGB O=C(N/N=C/c1ccncc1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1089050 IJJQGRALKJILGP-YBFXNURJSA-N 350.338 1.999 50 40 FDGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)C(=O)Nc1cccc(C)c1 4610850 LPNOMTDDVKXOSA-FYJGNVAPSA-N 356.382 1.725 50 40 FDGB CC(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](CO)NC(=O)C(Cl)Cl 59287912 WEYAPUCXWINQDH-MNOVXSKESA-N 365.169 1.480 50 40 FDGB in-vitro N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 4503268 MTCQRDOFKISVGS-FMIVXFBMSA-N 373.346 1.755 50 40 FDGB CC(C)(C)c1cc(C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)[nH]n1 18286188 HUKXXKKLLUDPHH-UHFFFAOYSA-N 356.342 1.702 50 40 FDGB O=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(O)c1 409015462 ZVEUQHFVUAPBAV-UNOMPAQXSA-N 370.365 1.901 50 40 FDGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc([N+](=O)[O-])ccc1O 409045655 GYQGKRFWKFWXMG-OMCISZLKSA-N 374.265 1.701 50 40 FDGB CN(C)c1nc(N)nc(C(=O)NNc2cc(C(F)(F)F)ccc2F)n1 1295870466 WEROOOXTJSOAKU-UHFFFAOYSA-N 359.287 1.435 50 40 FDGB CC(=O)NCc1cccc(C(=O)NNc2nc(O)c3ccccc3n2)c1 1648629346 BBKFYENVVINLEL-UHFFFAOYSA-N 351.366 1.728 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 3190389 XZTWGJSUCXNWRT-UHFFFAOYSA-N 366.311 1.126 50 40 FDGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21 989377 ULRJXEJPFISKQQ-IBGZPJMESA-N 351.362 1.628 50 40 FDGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3ccc(C#N)cc3F)ccc21 4685362 BSAGDJVMQFBTOT-UFFVCSGVSA-N 351.341 1.652 50 40 FDGB COc1ccccc1N(CC(=O)N/N=C/c1ccco1)S(C)(=O)=O 408924709 LTFHLTJDOPXITO-MHWRWJLKSA-N 351.384 1.205 50 40 FDGB CCCCn1nc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccc1=O 23978638 PAHIKKYSANRUDN-UHFFFAOYSA-N 362.817 1.701 50 40 FDGB COC(=O)c1c(NC(=O)CCl)sc(C(=O)N2CCOCC2)c1C 871502 NVXCUVRYWQHVOV-UHFFFAOYSA-N 360.819 1.493 50 40 FDGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccccc2OC)c1 4703126 GPKXAKIHWCBLKT-YBFXNURJSA-N 357.366 1.801 50 40 FDGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)Nc2ccccc2)c1 8767026 NISGLYZWEQPFGY-UHFFFAOYSA-N 351.384 1.719 50 40 FDGB Cc1ccc(S(=O)(=O)NCC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1 33939394 XJBNVSLXTHVTEI-UNOMPAQXSA-N 374.466 1.490 50 40 FDGB [N-]=[N+]=CC(=O)C[C@H](NC(=O)c1ccccc1C(=O)NN)c1ccccc1 4836976 VIHYVPQLDIKQBF-INIZCTEOSA-N 351.366 1.021 50 40 FDGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 4086426 GMIOQVQLUGOYKW-FSJBWODESA-N 364.405 1.986 50 40 FDGB COc1cc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)ccc1OC(C)C 5095347 NDGCCJZBHRDPJO-AWEZNQCLSA-N 354.366 1.784 50 40 FDGB CCCCC/C(CC[C@H]1NC(=S)NC1=O)=N\NC(=O)c1ccncc1 17300251 QLRTWKYSVLIUCU-CNRHGSOZSA-N 361.471 1.901 50 40 FDGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccco1 6227103 CYFLVTHPAGRHCL-SEYNJHBTSA-N 358.285 1.034 50 40 FDGB O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1COc2ccccc2O1 4579295 OOTWSDPJIIYJCW-VGWCVJEKSA-N 371.305 1.614 50 40 FDGB O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1O 30571970 UFFSCFVPWQHZLX-LBPRGKRZSA-N 357.366 1.299 50 40 FDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 8571333 MWTIAIPDJWIRAQ-SRZZPIQSSA-N 368.393 1.209 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1ccccc1F 20211625 HWBINISTJXKDBN-CXUHLZMHSA-N 355.416 1.804 50 40 FDGB CC1(CC(=O)N/N=C/c2ccc(I)o2)OCCO1 59502748 BHYAEYQLBIFSLG-NTUHNPAUSA-N 364.139 1.487 50 40 FDGB O=C(CCC(=O)Nc1ccccc1)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 2135273 JFYGFUCQEDGLCQ-UONOGXRCSA-N 361.398 1.444 50 40 FDGB CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)N(C)C 3504073 WFZTXVDFCXTLOK-SRZZPIQSSA-N 370.409 1.711 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)CCc2c(C)nc(=O)[nH]c2C)cc1 89991088 HTTNKWMXEBLHTJ-UHFFFAOYSA-N 358.398 1.179 50 40 FDGB Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408615036 LCLNEZKVZCAGQU-CQSZACIVSA-N 355.369 1.948 50 40 FDGB COc1cccc(/C=N/NC(N)=O)c1OS(=O)(=O)c1ccc(C)cc1 2077385 LWAFGRYLCBJMHW-VCHYOVAHSA-N 363.395 1.774 50 40 FDGB COc1cccc(/C=N/NC(=O)COc2cc(C)nc(SC)n2)c1O 3130339 DEFBVRGWENVIIS-CAOOACKPSA-N 362.411 1.750 50 40 FDGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C\c1ccc(Cl)cc1 31871093 DPWHIYGVFCQPSF-JZKGFHEDSA-N 373.796 1.746 50 40 FDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccco1 23382716 UQERGYQPKILGOI-XDHOZWIPSA-N 357.366 1.281 50 40 FDGB O=C(CCC(=O)N/N=C\c1ccccc1O)N/N=C\c1ccccc1O 102815721 IKQDBMRHCBEHHH-YZLQMOBTSA-N 354.366 1.478 50 40 FDGB CCCCC(=O)NN/C(CC)=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 9329751 JMMBEJHXVKPBNR-JQIJEIRASA-N 372.425 1.740 50 40 FDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CNC(=O)C1CCCCC1 18055761 QWAIIKFSMBLNDX-LBPRGKRZSA-N 365.405 1.437 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1C 3581603 DMRZBQHITJSZPC-MRXNPFEDSA-N 362.407 1.453 50 40 FDGB CCn1c(NNC(=O)[C@@H](C)NC(=O)c2ccco2)nc2ccccc2c1=O 11155901 XYQLICBENVQANL-LLVKDONJSA-N 369.381 1.271 50 40 FDGB N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)NC[C@@H]1CCCO1 409198049 VTJNFHBRSWDINN-NRUITVPNSA-N 353.378 1.928 50 40 FDGB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=O)c1ccccc1O 14201670 OGFLFGPUPFTUQU-LBPRGKRZSA-N 351.362 1.668 50 40 FDGB Cc1cc(O)c(C)c(O)c1/C=N\NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1 4721473 LCVZCUCZLPIHDO-WXYJULRNSA-N 367.405 1.695 50 40 FDGB CCCCC[C@H](O)CCC(=O)NN[C@@H]1CC(=O)N(c2ccccc2)C1=O 100783605 VIMOCJICXMZOBN-JKSUJKDBSA-N 361.442 1.661 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)Cc1ccccc1 6584659 CPDCHPPDWWCERW-YBFXNURJSA-N 363.414 1.738 50 40 FDGB CCN(CC)c1ccc(C(=O)NNC(=O)C2CCN(C(C)=O)CC2)cc1 12557389 CULGXBHFRJWLER-UHFFFAOYSA-N 360.458 1.552 50 40 FDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2c3c(cccc13)CC2 27144245 OGIFHUBINCBOQB-CYBMUJFWSA-N 358.419 1.134 50 40 FDGB COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccccc2)c1C 58884445 OJVQXZOVUCTUQE-BKUYFWCQSA-N 356.426 1.697 50 40 FDGB Cn1cc(Br)c(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)n1 1092135 SQQSQAXYEGEVAC-UUILKARUSA-N 358.177 1.916 50 40 FDGB CC(=O)Oc1ccccc1/C=N\NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1 18192968 IKKLLWFEQUESFE-HXWTURNYSA-N 365.389 1.592 50 40 FDGB O=C(COC(=O)CCC(=O)c1ccc(F)cc1)NNC(=O)c1ccccc1 3435459 LARQREHINBOQIY-UHFFFAOYSA-N 372.352 1.793 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)CC(=O)NCc2cccnc2)c1 59461582 IWHXAWBYCNTBII-CIAFOILYSA-N 356.382 1.255 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)CCNC(=O)Cc2ccccc2)cc1 12825512 IFYZVKQVBREJRB-UHFFFAOYSA-N 369.421 1.595 50 40 FDGB NC(=S)N/N=C1/C(=O)N(CCCl)c2ccc(Br)cc21 6227708 FYQPWQQCCNJJHG-OQLLNIDSSA-N 361.652 1.572 50 40 FDGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 5661320 QXQNJZWSHHTRMF-JLHYYAGUSA-N 357.391 1.888 50 40 FDGB Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCCN2C2CCOCC2)c1 89677549 GWQPUVCYBUDONF-QGZVFWFLSA-N 361.442 1.165 50 40 FDGB CC(=O)N1C(=O)Cc2cc3c(cc21)N(C(C)=O)C(=O)[C@H]3Br 3845093 DPMVQPAWYNOYBW-ZDUSSCGKSA-N 351.156 1.451 50 40 FDGB biogenic Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccnc2)c(C)c1 6607062 VEPLRCYUGYPOIT-RGVLZGJSSA-N 374.466 1.778 50 40 FDGB Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccccc2)cc1 2135533 CATVLMGPRAGROU-UHFFFAOYSA-N 373.434 1.475 50 40 FDGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCCO3)c1 59515483 QGBMBOKWRJCGME-YBFXNURJSA-N 355.350 1.555 50 40 FDGB C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccnc1 2272300 UMMPKYOUJNPXCL-INIZCTEOSA-N 369.377 1.826 50 40 FDGB Cc1ccsc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1C(C)C 2398482 WQYBSIXJRLJKJP-OMCISZLKSA-N 360.403 1.490 50 40 FDGB Cc1csc(=O)n1CC(=O)NNS(=O)(=O)c1ccc(C(C)C)cc1 12973633 GVQIKCORRXCTNE-UHFFFAOYSA-N 369.468 1.351 50 40 FDGB COc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)cc1OC 4199141 ICOYLQPFQJJIFP-HYARGMPZSA-N 369.421 1.903 50 40 FDGB CCCc1c(C(=O)N/N=C(\C)c2cccc(O)c2)nnn1-c1nonc1N 9210680 KFKYILCCDHTQOG-GIJQJNRQSA-N 370.373 1.045 50 40 FDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1Oc1ccccc1 14186722 JQPSVOBRUDJBRL-ZDUSSCGKSA-N 374.418 1.675 50 40 FDGB COc1cccc(CC(=O)N/N=C\c2cn(CC(N)=O)c3ccccc23)c1 33787620 DWXKAGIMSXPXKQ-JJFYIABZSA-N 364.405 1.828 50 40 FDGB COC(=O)[C@H]1C[C@@H](I)CN1C(=O)OC(C)(C)C 98044240 VGFYULNTTQXRQU-HTQZYQBOSA-N 355.172 1.972 50 40 FDGB O=C(CCCC(=O)N/N=C/c1ccccc1O)N/N=C\c1ccccc1O 4469452 RQEQVAALSKEUAT-AYRZQKSOSA-N 368.393 1.869 50 40 FDGB COc1ccc(NC(=S)NNC(=O)[C@H](O)c2ccccc2)cc1OC 6569493 VGFBIYKKTRKEMW-OAHLLOKOSA-N 361.423 1.755 50 40 FDGB CCOC(=O)N1CCN(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)CC1 30791175 SWWPSZCQWKCNJX-JQIJEIRASA-N 372.425 1.493 50 40 FDGB CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102372354 YGMNLFCZNWOCCU-SDADXPQNSA-N 358.394 1.758 50 40 FDGB CC(C)(C)C(=O)N1CCC(=NNC(=O)[C@H]2COc3ccccc3O2)CC1 54864440 PALZARWBLVYKKP-MRXNPFEDSA-N 359.426 1.967 50 40 FDGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)CCc1c(O)n[nH]c1C 1205271 MAZWHXCWGFPCHK-GIJQJNRQSA-N 362.386 1.532 50 40 FDGB CC(C)CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 20244090 UFMZTWPSJWPFCT-RYFGYPJOSA-N 361.442 1.857 50 40 FDGB O=C1CCC(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)=NN1 6475958 ISKHYOVRXRMSTH-UHFFFAOYSA-N 366.377 1.146 50 40 FDGB C[C@@H](C(=O)N/N=C/c1ccccc1O)N(c1ccccc1)S(C)(=O)=O 408922594 PDKQOGGEKRGYBF-HTMJNSLASA-N 361.423 1.697 50 40 FDGB COc1ccccc1/C=N\NC(=O)C(=O)N/N=C\c1ccccc1OC 31636969 SYLAIXNHNXVHIG-YZLQMOBTSA-N 354.366 1.304 50 40 FDGB O=S1(=O)C[C@H](NC(=S)NCCc2c[nH]c3ccccc23)[C@@H](Cl)C1 575424750 WQVOGOCJRHVFCP-JSGCOSHPSA-N 371.915 1.579 50 40 FDGB COC(=O)/C(=N\Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)CCl 16711644 FXOIEFCGIJWUKZ-RGEXLXHISA-N 364.789 1.233 50 40 FDGB CCOC(=O)[C@H]1/C(=N/NC(=O)CC#N)C[C@](C)(O)C[C@H]1c1ccccc1 100249855 NJAZXKWHVGETQM-XTPFTGSPSA-N 357.410 1.880 50 40 FDGB CN(C)N(C(=O)c1csc(-c2cccs2)n1)[C@H]1CCS(=O)(=O)C1 25042844 ZDYSAGHEYMUFMS-JTQLQIEISA-N 371.509 1.978 50 40 FDGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1 59483738 HRVXCEZRPYLXMZ-RQZCQDPDSA-N 358.310 1.398 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H](C)Cn1nc([N+](=O)[O-])cc1C 252501694 UHYCTOVYCHBVLA-NGZXACEBSA-N 351.342 1.067 50 40 FDGB O=C(CN1CCOCC1)N/N=C/c1ccc(I)cc1 15019900 FTAMHRAHVHLLBB-OQLLNIDSSA-N 373.194 1.074 50 40 FDGB COc1cccc(/C=C2\SC(=S)N(/C=C(/C#N)C(N)=O)C2=O)c1O 1637330 LHRUSAJUQRBIOC-RCFIOZFRSA-N 361.404 1.495 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)N2CCc3ccccc3C2)cc1OC 5527262 HSQTUBUIXAZFKF-CIAFOILYSA-N 367.405 1.739 50 40 FDGB O=C(C[C@H](C(=O)O)c1ccccc1)NNC(=O)c1n[nH]c2c1CCCC2 10171154 WJFPDVVQXCCLAT-ZDUSSCGKSA-N 356.382 1.308 50 40 FDGB CCCCCn1c(=O)c2c(nc3n(CCCl)c(C)cn23)n(C)c1=O 10104377 VNDGWPJWQQRABJ-UHFFFAOYSA-N 351.838 1.887 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(I)cc1 103074305 HYBJHPUBTJVLLF-FLIBITNWSA-N 370.146 1.773 50 40 FDGB CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccccc1O)c1ccc(C)cc1 10125708 VHMGDGQGJLJNRY-INIZCTEOSA-N 355.394 1.729 50 40 FDGB CCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3cccnc3)C2=O)cc1 28313834 TUEFLRKDHKARCE-HNNXBMFYSA-N 354.366 1.047 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 4544348 NYJOFHFHHJRPBJ-VCHYOVAHSA-N 357.322 1.911 50 40 FDGB Cc1cccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)c1C 408923918 ICCPUMCPKOYJKS-YBFXNURJSA-N 360.439 1.615 50 40 FDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@H]2CC[C@H]1C2 245228741 DSLNZSKLJWYIQW-RDYZCOQYSA-N 362.904 1.511 50 40 FDGB NNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3Cc4c([nH]c5ccccc45)C[C@H]3C[C@H]21 4721766 FSQRVRPQXUTOFA-SVWNOQBBSA-N 354.454 1.292 50 40 FDGB COc1ccc2[nH]cc(CCNC(=O)CCSS(=O)(=O)O)c2c1 2132907 PTXXDIOVHKOXFS-UHFFFAOYSA-N 358.441 1.761 50 40 FDGB biogenic O=C(COc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 5569932 LWKZPFNKOMNRTD-CHWSQXEVSA-N 354.790 1.757 50 40 FDGB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccccc2)C1=O 408538019 YNAFRTPWHLRGMH-HXJASHHUSA-N 364.361 1.610 50 40 FDGB CSc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc1 2187769 AHLPLEORGIQPOD-FRKPEAEDSA-N 358.387 1.027 50 40 FDGB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)CC(C)C 17076234 RNIWLKPKHYCSIY-AQTBWJFISA-N 372.425 1.893 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1O 17472639 IYPWXNGOMXDAMQ-UFWORHAWSA-N 365.773 1.804 50 40 FDGB Cn1cc(Br)cc1C(=O)NNC(=O)c1ccnc(Cl)c1 33234661 FVVIZKCMZLUJNG-UHFFFAOYSA-N 357.595 1.911 50 40 FDGB CC(C)C(=O)NNC(=O)CSc1nnnn1-c1cccc2c1CCCC2 4968124 ZDPYZIZHCLCVSH-UHFFFAOYSA-N 374.470 1.437 50 40 FDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1OC 7869800 GBWOCZNHPUNPTO-XLTHYULKSA-N 361.398 1.005 50 40 FDGB Cc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 101305889 JGCVWWHPDPDNSI-NZQCTYEBSA-N 358.872 1.835 50 40 FDGB O=CC[C@]12CC(=O)O[C@@H](C1)[C@H](I)CC21OCCO1 103854104 SQTGZVRXPZKCRG-WCABBAIRSA-N 366.151 1.218 50 40 FDGB CCCn1nc(C(=O)NNC(=O)[C@@H]2CC=CCC2)c2ccccc2c1=O 12917631 FLYQDGPZCJCBHA-CYBMUJFWSA-N 354.410 1.924 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c(O)c1 17518946 ASXHPMNOPMBIHK-UHFFFAOYSA-N 352.350 1.866 50 40 FDGB O=C(CCl)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 9823908 OJXDKXBJGOMTFQ-UHFFFAOYSA-N 357.805 1.098 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)CSc2nnc(C)s2)cc1 20368312 ZSVUWXYEGRXYSV-UHFFFAOYSA-N 358.470 1.257 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 408614893 JICSNAFOUOUQNH-CYBMUJFWSA-N 368.349 1.409 50 40 FDGB Cn1cc(C(=O)NNS(=O)(=O)c2ccc(C#N)cc2)c2ccccc21 7907441 CBNZKQZGMVXGJB-UHFFFAOYSA-N 354.391 1.673 50 40 FDGB CCOc1ncccc1C(=O)NNC(=O)Cc1nc2ccccc2n1C 17411085 ZGWGEJWGEWIZFH-UHFFFAOYSA-N 353.382 1.371 50 40 FDGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)c1 33343703 PNYGYVHFOOUCGV-JMIUGGIZSA-N 357.366 1.332 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 104332235 OAIQVEHMHHELQV-VKAVYKQESA-N 350.374 1.791 50 40 FDGB CC(=O)N[C@](CCl)(OC(C)=O)C(=O)OCc1ccc([N+](=O)[O-])cc1 2031716 JSROGZNNQCTDQE-CQSZACIVSA-N 358.734 1.272 50 40 FDGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CO)cc1 58882234 BQYWOHVZFZFVBR-VXLYETTFSA-N 357.366 1.155 50 40 FDGB CCOC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 58202229 AWYRQXMVXRQEAQ-VIFPVBQESA-N 370.203 1.579 50 40 FDGB O=C(CNC(=O)C1CCCCC1)NNC(=O)Cc1c[nH]c2ccccc12 6602308 XPSVBKSLFJNYRY-UHFFFAOYSA-N 356.426 1.554 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)c1ccc(O)cc1 226862466 SJCSBCZQRZPTRE-UHFFFAOYSA-N 355.303 1.063 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 252481050 CHFOSGQOTXOUDK-FRKPEAEDSA-N 351.342 1.130 50 40 FDGB CCCc1noc(CCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)n1 23082779 QPEBVFHDOQBXKF-UHFFFAOYSA-N 360.370 1.187 50 40 FDGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(N)=O 6673676 TUPJGRVYEOPGRR-AWQFTUOYSA-N 361.785 1.977 50 40 FDGB Cc1ccc(S(=O)(=O)CC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 8475379 CGFKOBVUGZGKMR-UHFFFAOYSA-N 366.826 1.883 50 40 FDGB COc1ncccc1CNC(=O)NNC(=O)c1cn(C)c2ccccc12 26384607 BCPCITXDWXHKLT-UHFFFAOYSA-N 353.382 1.726 50 40 FDGB CN(C)N(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 8769160 PJTFUVBGMWKJLG-SBDDDAINSA-N 353.400 1.100 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1ccc(Cl)cc1 20209629 FDSOGFMGPGZIIS-VCHYOVAHSA-N 366.830 1.651 50 40 FDGB CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccccc1 5100197 MTTNHDSOZHEGLL-XDHOZWIPSA-N 368.401 1.900 50 40 FDGB CCCCC(=O)NN/C=C1\C(=O)N=C(O)N(Cc2ccc(OC)cc2)C1=O 9011920 XSPCDLULGGNMES-GXDHUFHOSA-N 374.397 1.173 50 40 FDGB CN1C(=O)/C(=N/NC(=O)CCCCC[C@@H]2CCNC(=O)N2)c2ccccc21 101655594 HVWANPUFKOSAFS-MQTUIEQJSA-N 371.441 1.505 50 40 FDGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 9603084 XOUCJTQQSVWXIK-WBMJQRKESA-N 362.389 1.803 50 40 FDGB Cc1cc2c(c(=O)n1CCN(C)C)[C@@H](c1ccc(O)cc1)C(C#N)=C(N)O2 2249019 OUGXUCSVJUEUKE-KRWDZBQOSA-N 366.421 1.642 50 40 FDGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1 2355100 OCRBRHQROFJUNC-HNNXBMFYSA-N 351.362 1.699 50 40 FDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H]2C=CCC2)c1 8185099 ISBMONVBLXUTNX-LBPRGKRZSA-N 351.428 1.054 50 40 FDGB O=C(CN1CCCCC1)N/N=C1\C(=O)Nc2ccc(Br)cc21 20248509 HGUGALOXKIUPEJ-UHFFFAOYSA-N 365.231 1.707 50 40 FDGB O=C(N/N=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1)c1ccncc1 16431466 HQCOTABINBVICM-FBHDLOMBSA-N 360.329 1.989 50 40 FDGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccc2ccccc12 2380390 YKKNKUJUGGSBJR-DJKKODMXSA-N 362.353 1.458 50 40 FDGB COc1cc(/C=C(/C#N)C(N)=S)ccc1OCC(=O)N1CCOCC1 6453837 LLDSIHRVAZQVDB-JYRVWZFOSA-N 361.423 1.126 50 40 FDGB COc1cccc(/C=N/NC(=O)CNC(=O)COc2cccc(C)c2)c1O 2288235 WGTWBTZUMHHRGU-UFFVCSGVSA-N 371.393 1.355 50 40 FDGB CCCc1c(C(=O)N/N=C/c2ccc(C)s2)nnn1-c1nonc1N 2450005 SNDSEVFVLMTLIM-FRKPEAEDSA-N 360.403 1.319 50 40 FDGB O=C(Cc1cccc2ccccc12)NNC(=O)C[C@H]1CCS(=O)(=O)C1 4392923 SLLAZFLIMVNHFD-CYBMUJFWSA-N 360.435 1.355 50 40 FDGB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1cccs1 5786360 APFUGGKVZHFYSN-UHFFFAOYSA-N 361.467 1.842 50 40 FDGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCC(N)=O)cc1 15146133 CYINHRYMETWVML-UFFVCSGVSA-N 355.394 1.697 50 40 FDGB Cn1c(=O)n(CCC(=O)NNC(=O)Cc2ccc(F)cc2)c2ccccc21 22319366 IIKYRSMYCICRGW-UHFFFAOYSA-N 370.384 1.259 50 40 FDGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCOCC3)=C2C#N)cc1 6477542 QLXLQVUHRRIZSV-HNNXBMFYSA-N 371.462 1.926 50 40 FDGB O=C(Cc1ccccc1)NCC(=O)N/N=C/c1c[nH]nc1-c1ccccc1 9275011 SUKZRPRJOZSMNZ-WSDLNYQXSA-N 361.405 1.886 50 40 FDGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 409261976 FSKXRONVXBJPSF-TYJAPOHBSA-N 356.378 1.812 50 40 FDGB COc1cc(C(=O)NNC(=O)COc2ccccc2C)cc(OC)c1OC 799672 TVSZOFCQRQSRBA-UHFFFAOYSA-N 374.393 1.861 50 40 FDGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc[n+]([O-])cc1 3170002 UFHDLNJBEYFNIL-CAOOACKPSA-N 352.253 1.594 50 40 FDGB C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 14049453 CITCEGGSDDHHLE-UHFFFAOYSA-N 366.333 1.483 50 40 FDGB COc1cc(CC(=O)NNC(=O)c2ccc(F)cc2)cc(OC)c1OC 5558090 WAHRYHZLHBQHGV-UHFFFAOYSA-N 362.357 1.855 50 40 FDGB CCN1C(=O)/C(=N/NC(=O)c2cnccn2)c2cc(Br)ccc21 5795248 CWIOELSTEYKKMF-CPNJWEJPSA-N 374.198 1.740 50 40 FDGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OCC)c1OC 409001741 RASBFYOKIFHROX-MOSHPQCFSA-N 361.442 1.605 50 40 FDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(C)o2)cc1OC 5618391 ZWUFJEJBFNQCSP-RGVLZGJSSA-N 359.382 1.414 50 40 FDGB COCCCNC(=O)/C(C#N)=C\c1ccc(OCC(=O)OC)c(OC)c1 4544492 YGZFVPHFUVWKAS-ZROIWOOFSA-N 362.382 1.307 50 40 FDGB CC1=C(C(=O)OC(C)C)[C@]2(C(=O)N1C)C(C#N)=C(N)Oc1ccccc12 4517043 KXDRBKHSFDIABR-LJQANCHMSA-N 353.378 1.708 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OC)cc2OC)cc1 7782456 OSFBZMQNJKXZPJ-CIAFOILYSA-N 371.393 1.479 50 40 FDGB COC(=O)c1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1 33921021 HOZUHMUJINFSGK-BKUYFWCQSA-N 353.378 1.630 50 40 FDGB CS(=O)(=O)N1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1 47615926 ZOJICLGOETZBQI-GFCCVEGCSA-N 352.547 1.804 50 40 FDGB C[C@@]1(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1(Cl)Cl 6469362 LFMDOJLPETVDHE-NSHDSACASA-N 351.211 1.636 50 40 FDGB O=S1(=O)C[C@H](Br)[C@](Br)(CBr)C1 5003855 VYFRZWPGXYCMAH-WHFBIAKZSA-N 370.888 1.707 50 40 FDGB COc1cc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)ccc1O 1633085 XIBPBOMGNOFFTM-CABCVRRESA-N 361.785 1.819 50 40 FDGB IC[C@H]1CO[C@@H](CI)CO1 4995770 UJGCDSJISZRBPO-WDSKDSINSA-N 367.952 1.640 50 40 FDGB in-vitro CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 6578727 MUGRYHGTFDHODA-UFFVCSGVSA-N 372.356 1.039 50 40 FDGB CCc1ccc(OCC(=O)NNC(=O)COc2ccccc2OC)cc1 1795166 DDGPPVFJDFZDQV-UHFFFAOYSA-N 358.394 1.863 50 40 FDGB O=C(CCc1ccccc1O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 59147170 ZLBQVUFJSWDSQY-UHFFFAOYSA-N 354.322 1.706 50 40 FDGB Cc1cc(C)n2c(SCC(=O)NNC(=O)c3ccc(F)cc3)nnc2n1 2661902 BGOANABHEMYFEG-UHFFFAOYSA-N 374.401 1.434 50 40 FDGB COc1cc(/C=N\NC(=O)Cn2cnc3ccccc32)cc(OC)c1O 31830155 UHDOXSWNXFAHLS-UKWGHVSLSA-N 354.366 1.909 50 40 FDGB CC1CCN(c2ccc(/C=N\NC(=O)c3nonc3N)cc2[N+](=O)[O-])CC1 34876077 SYWLLLPKRWWOSU-NVMNQCDNSA-N 373.373 1.560 50 40 FDGB Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 55567797 GNRKAQNUJZGBSW-UHFFFAOYSA-N 373.434 1.893 50 40 FDGB CC1(C)O[C@@H]2O[C@H](CI)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 5203116 JMIGDGVTFPSEMQ-ZOZBQHSOSA-N 370.183 1.818 50 40 FDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 6841392 MNXYNGRSYMFLIH-SRZZPIQSSA-N 368.393 1.209 50 40 FDGB CCN1C(=O)/C(=N\NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 5791883 QXQZPLDCQBNHIV-JZJYNLBNSA-N 368.349 1.861 50 40 FDGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccn3)c(C)c(C#N)c2=O)c1 409062235 QJVGTFSVQICQJL-FSJBWODESA-N 372.388 1.880 50 40 FDGB CC(=O)NNC(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1 14128966 APDGHBMYZNJMRX-UHFFFAOYSA-N 361.379 1.325 50 40 FDGB O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)c1ccc(Cl)cc1 41124997 MEDTUVGRGTWFQZ-UHFFFAOYSA-N 367.770 1.398 50 40 FDGB C[C@H]1CN(C(=O)COC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)C[C@H](C)O1 34766524 DHAMBNWRPXYDSW-PCEHLNCXSA-N 371.437 1.839 50 40 FDGB CCOc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1O 3663384 FUCNIBMLEUALBM-YBFXNURJSA-N 366.381 1.595 50 40 FDGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)c3ccco3)C(=O)NC2=S)cc1 408754995 PKLIMQZGKLZAFD-BEAUZRKQSA-N 370.390 1.368 50 40 FDGB Cc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C 14019915 KVOKRCCESUJHEM-UHFFFAOYSA-N 360.439 1.671 50 40 FDGB COC(=O)c1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 9338012 IOFVZAQHKLYHLA-UHFFFAOYSA-N 366.377 1.364 50 40 FDGB COc1ccccc1CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 9512488 CMGINKVCLYHHKP-UHFFFAOYSA-N 366.377 1.590 50 40 FDGB O=C(CCN1CCOCC1)N/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F 25315624 OVESNGLTSFGQBX-VCHYOVAHSA-N 372.328 1.369 50 40 FDGB C[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCCCCC2)S(C)(=O)=O 45876722 XFVNVQXWRGOKPC-JTQLQIEISA-N 358.485 1.601 50 40 FDGB Cc1c(Br)c(C(=O)N/N=C/c2c(Cl)cnn2C)nn1C 2782413 SQGIDUINLCUOOM-LHHJGKSTSA-N 359.615 1.642 50 40 FDGB Cc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 68933385 QMQWSPWSVXNIQD-AWEZNQCLSA-N 355.369 1.948 50 40 FDGB O=C(CNC(=O)c1ccco1)NNC(=O)CSc1ccc(Cl)cc1 6509727 XADVGWCLVLDRGX-UHFFFAOYSA-N 367.814 1.603 50 40 FDGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3F)CC2=O)cc1 8273715 DYYHGVQJNIUZLI-CYBMUJFWSA-N 355.369 1.948 50 40 FDGB Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1 3344348 AASARQFBZQUVBH-INIZCTEOSA-N 369.396 1.944 50 40 FDGB Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(Cl)s1 9113887 RUFITWHVWMQNHO-UHFFFAOYSA-N 370.843 1.981 50 40 FDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 6984315 GCXBAXIJNHMBIN-VIFPVBQESA-N 374.294 1.656 50 40 FDGB Cc1cc2ccccc2n1CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 15427090 HHFICDKYCNTACO-SFHVURJKSA-N 365.389 1.937 50 40 FDGB O=C(N/N=C/c1ccc2c(c1)OCCO2)C(=O)N1CCc2ccccc2C1 408720593 WFZZDXAGNZWLIV-CIAFOILYSA-N 365.389 1.493 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)NC(=S)N(c2ccccc2C)C1=O 2287831 IKCKWGCWBAMLAT-BENRWUELSA-N 360.439 1.438 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1C 15886421 BTFCKUPSXOJPJG-UHFFFAOYSA-N 353.378 1.780 50 40 FDGB N#CC(=C=N)[C@H](c1cccnc1)[C@@H](C(N)=O)[n+]1ccc(-c2ccncc2)cc1 33864286 AMKDVFMFMGDZAJ-PMACEKPBSA-O 369.408 1.940 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1 409345759 NNZZKZGUQUITFS-UFFVCSGVSA-N 359.357 1.940 50 40 FDGB COc1cccc(/C=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1 32926482 DLMAJUZBZKLUGI-PXNMLYILSA-N 360.282 1.981 50 40 FDGB N#CC(=C=N)[C@@H](c1cccnc1)[C@H](C(N)=O)[n+]1ccc(-c2ccncc2)cc1 33864287 AMKDVFMFMGDZAJ-WOJBJXKFSA-O 369.408 1.940 50 40 FDGB CCCc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccnc3)CC2=O)cc1 32795482 DKASMDPCKQGVMI-MRXNPFEDSA-N 366.421 1.848 50 40 FDGB O=C(CN1CCN(c2ccccc2F)CC1)NNC(=O)c1ccc(F)cc1 12533809 JPDFZTRPRQFRNO-UHFFFAOYSA-N 374.391 1.548 50 40 FDGB C[C@H](Br)C(=O)/C(=C/N(C)C)c1nnnn1-c1ccccc1 6467699 GKAPLSRTOMGOKC-JMZICWNOSA-N 350.220 1.917 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c(OC)c1 3062154 OVIKLVZJFXGCDP-FYJGNVAPSA-N 355.394 1.513 50 40 FDGB N#C/C(=C/N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)C(N)=O 6511910 RLQJGAUFWKPWTJ-QSTITTEPSA-N 360.376 1.689 50 40 FDGB Cc1ccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 13865450 VGVRMKXVZNDLDA-GJZGRUSLSA-N 357.410 1.321 50 40 FDGB Cc1ccc(S(=O)(=O)CC(=O)NNC2=CC(=O)CC(C)(C)C2)cc1 5363347 BDZFIDYFQVQOFE-UHFFFAOYSA-N 350.440 1.663 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1O 409248391 GCBDNTICMBOKGQ-NPLBWUPPSA-N 369.805 1.190 50 40 FDGB COCCNC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 1772491496 RPTCMIFCPVRCOS-GXDHUFHOSA-N 360.370 1.101 50 40 FDGB Cc1c(Cl)cccc1N1C(=O)C[C@H](NNC(=O)c2cccnc2)C1=O 101944702 PWNAOVURVZDBJT-ZDUSSCGKSA-N 358.785 1.610 50 40 FDGB COc1cc(C(=O)NNC(=O)COc2ccc(C)cc2)cc(OC)c1OC 6030152 CUHHQWVLHLBPGD-UHFFFAOYSA-N 374.393 1.861 50 40 FDGB CC(=O)N1CCc2cc(S(=O)(=O)NNC(=O)c3ccccc3)ccc21 8475369 JIAYHXIOQGUXAE-UHFFFAOYSA-N 359.407 1.219 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(Cl)cc1 13629093 JPEDVHOEXDNPRU-GFCCVEGCSA-N 361.785 1.743 50 40 FDGB NNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409345851 LQQYASCQTOXMQB-UHFFFAOYSA-N 361.851 1.320 50 40 FDGB Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccccc2)C1=O 408538020 YNAFRTPWHLRGMH-XLTHYULKSA-N 364.361 1.610 50 40 FDGB CCOC(=O)c1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1 40177640 LLWWXBZOHIUYDS-CYBMUJFWSA-N 359.831 1.622 50 40 FDGB COc1ccc(CC(=O)NN[C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)cc1 100153802 RQBWUWNVTCNGBL-MRXNPFEDSA-N 371.368 1.330 50 40 FDGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@]12C(=O)Nc1ccc(Cl)cc12 664302 ZJORCUMTKYGHKD-QGZVFWFLSA-N 371.736 1.110 50 40 FDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc([N+](=O)[O-])c(O)c1 36060037 KPMFILRRGNKQPS-LZYBPNLTSA-N 360.282 1.738 50 40 FDGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1 226856130 SLHIHZNRSHKJID-UHFFFAOYSA-N 368.798 1.970 50 40 FDGB COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OC 255285806 KWEQNQOWMYOXQK-FPYGCLRLSA-N 358.135 1.701 50 40 FDGB C=CCOc1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1 5260689 KWDPYWDWBFLBHG-HYARGMPZSA-N 352.394 1.803 50 40 FDGB Cc1ccc(NCC(=O)NNC(=S)NC[C@@H]2CCCO2)cc1Cl 4169157 SWUZIZLDQRFXTJ-LBPRGKRZSA-N 356.879 1.735 50 40 FDGB CCCOc1ccc(/C=N/NC(=O)C(=O)NCCCOC)cc1OCC 7869458 AQDWPTSBEABKLZ-DEDYPNTBSA-N 365.430 1.477 50 40 FDGB COc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101318850 MKSWTSQCWGEULM-UWLOGMJLSA-N 374.871 1.535 50 40 FDGB N#CCOc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Cl 59246635 FZXPKCHOSPBIOL-OCKHKDLRSA-N 371.224 1.678 50 40 FDGB CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)O2 4168453 NJBWWEOIAGMCBB-AWEZNQCLSA-N 367.409 1.789 50 40 FDGB Cc1cc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)[nH]n1 4678479 OZYDJBRLDJNYEJ-UHFFFAOYSA-N 367.203 1.629 50 40 FDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccccc2)c2ccccc21 5679416 IWQNVPHACDQODX-NMWGTECJSA-N 364.405 1.232 50 40 FDGB CCc1c(C)nc(SCC(=O)NNC(=O)c2ccccc2C)nc1O 18191278 GAGOCRFDNZCGTI-UHFFFAOYSA-N 360.439 1.915 50 40 FDGB O=C(/C=C1\Nc2ccccc2NC1=O)N/N=C/c1ccc2c(c1)OCO2 408721595 JOILSBZTEKXNIX-UOJMFYRESA-N 350.334 1.814 50 40 FDGB CCOC(=O)/C(C#N)=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 409160011 PAHZQCHSWNJLRF-RVDMUPIBSA-N 367.405 1.970 50 40 FDGB CN1CC[C@@H]2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1 102667706 NXNKRNUHHFRMIT-UFAGZECESA-N 358.405 1.228 50 40 FDGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3nonc3N)c2C)cc1 680570 GQEQDGBVDUZRQM-DJKKODMXSA-N 354.370 1.832 50 40 FDGB N#CC1=C(N)NC(=S)[C@@H](C(N)=O)[C@@H]1c1ccc(Br)cc1 1085756 UHSZWWRZAUSSJJ-NXEZZACHSA-N 351.229 1.259 50 40 FDGB CCc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1 4883084 AFUBKCIKOYBBGH-UHFFFAOYSA-N 372.410 1.371 50 40 FDGB C=CCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 6562632 YBFWMIKZOGPFEN-JLHYYAGUSA-N 357.391 1.803 50 40 FDGB CCOC(=S)NP(=O)(NC(=S)OCC)NC(=S)OCC 104110307 SYBKXNGNPQRIEQ-UHFFFAOYSA-N 359.435 1.828 50 40 FDGB N#C/C(=C/c1ccccc1)C(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 6829386 MCKYPVHVXMZCQX-LCYFTJDESA-N 372.362 1.511 50 40 FDGB O=C1O[C@H](O)C(C(Br)Br)=C1Br 72399505 FAPCZAUMFXUDMS-BYPYZUCNSA-N 350.788 1.627 50 40 FDGB in-vitro O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccccc1F 3613967 WAUIKMRKIXMUIH-CMDGGOBGSA-N 359.313 1.974 50 40 FDGB Cc1ccccc1OCC(=O)N/N=C1/C(=O)Nc2cc([N+](=O)[O-])ccc21 8321300 IPZZHHYXFLOEFZ-UHFFFAOYSA-N 354.322 1.755 50 40 FDGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCC(N)=O 33045596 PGQIXFJJJAUMBV-SSDVNMTOSA-N 370.409 1.512 50 40 FDGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCC(N)=O)cc1 808935 LAFKHAQPLCPLME-INIZCTEOSA-N 357.366 1.195 50 40 FDGB Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccco2)C1=O 6451604 GMFASWQPXNUYQR-PBFYJAPKSA-N 354.322 1.203 50 40 FDGB CCCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccco2)cc1 2096260 SWKUQMFTWFTAQQ-UHFFFAOYSA-N 361.423 1.947 50 40 FDGB Cc1nnc(NNC(=O)C2(c3ccc(Br)cc3)CC2)nc1O 12762706 MMQUBCJMQBCTCS-UHFFFAOYSA-N 364.203 1.823 50 40 FDGB Cn1cc(/C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)c2ccccc21 18192155 BOZQTIUUPYWSOQ-JAIQZWGSSA-N 359.393 1.982 50 40 FDGB O=C(NN=C1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1n[nH]c(=O)c2ccccc12 13756751 QRLNDHHASUNKJI-IIRNOUPQSA-N 352.394 1.580 50 40 FDGB O=C(COc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccncc1 6883396 AOODFWWBUGVVOL-UHFFFAOYSA-N 364.814 1.450 50 40 FDGB Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc(C#N)cc2)c1 8491734 YTKAJTSYRFAEER-UHFFFAOYSA-N 353.378 1.780 50 40 FDGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(O)c2)s1 59498744 LZDFFRZWZUJCPJ-LZYBPNLTSA-N 363.399 1.381 50 40 FDGB NC(=O)Cn1cc(-c2ccccc2)c(/C=N/NC(=O)c2cccc(F)c2)n1 2324369 RONWOBYMQXULTE-LSHDLFTRSA-N 365.368 1.938 50 40 FDGB Cn1cc(Br)cc1C(=O)NNC(=O)NC(C1CC1)C1CC1 45438483 VLUBMKUACFPQPM-UHFFFAOYSA-N 355.236 1.920 50 40 FDGB C[C@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 27313806 FENAKZOCZVEKTI-GXSJLCMTSA-N 366.487 1.717 50 40 FDGB CCCCC(=O)NN/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O 9319159 BZPGCIKOCHSFHE-JLHYYAGUSA-N 360.439 1.438 50 40 FDGB C=CCc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc(OC)c1OC 16200954 LDARQWVOXDLUAV-UHFFFAOYSA-N 372.425 1.707 50 40 FDGB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NN)CC2)cc1Cl 408584959 XEQBRLUMKMNKIX-UHFFFAOYSA-N 361.851 1.129 50 40 FDGB O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)cc1 41091359 BNQRONVIDMYBPQ-UHFFFAOYSA-N 366.786 1.133 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)n1 100676640 FHHWNESEXRJHPP-QAQJPARQSA-N 360.458 1.369 50 40 FDGB COc1ccccc1NCC(=O)NNC(=O)c1cnn2c(C)cc(C)nc12 12545819 ASWXYOFBPQOJBV-UHFFFAOYSA-N 368.397 1.228 50 40 FDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 101306721 GNDLTVANPJKTOS-UWLOGMJLSA-N 358.872 1.522 50 40 FDGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OC)c1OCC 59247118 YQJWAAGGCLCPJU-MOSHPQCFSA-N 361.442 1.605 50 40 FDGB CCCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccncc3)C2=O)cc1 1834384 QIURZBQRNSDQNO-MRXNPFEDSA-N 368.393 1.437 50 40 FDGB O=C(CCl)NNC(=O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 2274372 OSDYAZPXKVIWMR-UHFFFAOYSA-N 354.740 1.587 50 40 FDGB O=C(O)COc1ccccc1/C=N/NC(=O)c1ccc2c(c1)OCCO2 2365031 SNGGLTVQSLOMHW-VXLYETTFSA-N 356.334 1.685 50 40 FDGB O=C(COc1ccc(Cl)cc1)NNC(=O)c1n[nH]c(=O)c2ccccc12 3422284 JLJMIIGWJARWSV-UHFFFAOYSA-N 372.768 1.417 50 40 FDGB COc1ccccc1N1/C(=N/C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@@H]21 5341704 KASBDDHYTZIXMM-SJZDRVGCSA-N 374.871 1.535 50 40 FDGB O=C(CSc1nc(-c2cccnc2)n[nH]1)NNC(=O)c1cccs1 4726502 MXQHCWWBEWGXCJ-UHFFFAOYSA-N 360.424 1.482 50 40 FDGB CC(=O)NCCCCCC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C 71869696 ROZULLNTDYJRJG-HNNXBMFYSA-N 363.458 1.915 50 40 FDGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1O 36178007 LZMROFSRZSBXSW-RIEVCORGSA-N 357.322 1.899 50 40 FDGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccccc1C(F)(F)F 4798201 DYQSMXPCTHTXTO-LSHDLFTRSA-N 350.300 1.867 50 40 FDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC 7784920 DCSQPTSZRJITEM-VKPPLCHCSA-N 356.220 1.823 50 40 FDGB CCCc1nc2c(o1)NC(N)=C(C#N)[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 8783369 GFDVEQGIPYZKOE-QGZVFWFLSA-N 366.337 1.893 50 40 FDGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(OCC(N)=O)cc3)n2c1 58872888 ZYAQFSZKENASLQ-ZVBGSRNCSA-N 365.393 1.579 50 40 FDGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1cccc(O)c1 9350931 MGRDYZNJPNUDMI-GIJQJNRQSA-N 370.373 1.216 50 40 FDGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccn2)c(C)c(C#N)c1=O 409060961 AOMWEKZLVXIPAS-FSJBWODESA-N 372.388 1.880 50 40 FDGB CCOc1ccccc1/C=N/NC(=O)CNC(=O)COc1ccccc1 4079689 YKFSORIOSQLHII-CIAFOILYSA-N 355.394 1.731 50 40 FDGB CCOc1cccc(N2C(=O)C[C@@H](NNC(=O)c3cccc(F)c3)C2=O)c1 717863 MUUGNLJZPRLITN-MRXNPFEDSA-N 371.368 1.791 50 40 FDGB IC[C@@H]1OCCO[C@H]1CI 4722386 VPRQQKITYSDVEH-WDSKDSINSA-N 367.952 1.640 50 40 FDGB CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccccn2)c2ccccc21 20292837 MTDYNEGDPDZZFZ-FXBPSFAMSA-N 351.410 1.862 50 40 FDGB C#CCN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 100868935 RDEHHMKZIPFZIM-STIUTOJCSA-N 361.357 1.327 50 40 FDGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccc(Br)cc1 59459494 GXEYHHOOERFWHN-VXLYETTFSA-N 361.199 1.611 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 408603959 HQRYBQMEOOOCFC-WSDLNYQXSA-N 373.384 1.617 50 40 FDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(OC)c2O)cc1 223159004 KBNAIKMQRXIDPS-GRSHGNNSSA-N 371.349 1.276 50 40 FDGB COc1ccc(C(=O)NN[C@H]2CC(=O)N(c3cccc(OC)c3)C2=O)cc1 100141859 LECGXNUONLRTAI-INIZCTEOSA-N 369.377 1.270 50 40 FDGB Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1O 669859 PUQWIDQHVHLEME-UHFFFAOYSA-N 351.340 1.232 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)c2nc3ccccc3c(=O)[nH]2)c1 4865259 KQSVXDLQEJWDMW-VXLYETTFSA-N 352.350 1.704 50 40 FDGB CC1(C)C(c2cccs2)=[N+]([O-])[C@@]2(CCCC/C2=N\NC(N)=O)N1O 58158078 XCJXAWQBDVURJV-VUVCFOEZSA-N 351.432 1.826 50 40 FDGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2cc(C)n[nH]2)c1[N+](=O)[O-] 3902328 RBVLZHWIOIZYMP-FRKPEAEDSA-N 361.314 1.324 50 40 FDGB CCc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9411271 FRQZTRNRVUYVMW-INIZCTEOSA-N 352.310 1.205 50 40 FDGB O=C(Cc1cn2ccsc2n1)NNS(=O)(=O)c1ccc(Cl)cc1 7409553 MCFGNEDFCVPELD-UHFFFAOYSA-N 370.843 1.601 50 40 FDGB COc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1OC 8487802 UGGGXAVBWGIVKA-UHFFFAOYSA-N 370.321 1.698 50 40 FDGB O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1c(F)cccc1F 408615006 KRCUYIODCYPHOU-NSHDSACASA-N 359.332 1.779 50 40 FDGB COc1cc(/C=C/C(=O)NNC(N)=S)cc(Br)c1OC 62714921 BZWLXCPMZRYHER-ONEGZZNKSA-N 360.233 1.344 50 40 FDGB Cc1csc(CC(=O)NNC(=O)COC(=O)c2sc(C)nc2C)n1 12598878 ASXVUTRQTRVIOG-UHFFFAOYSA-N 368.440 1.072 50 40 FDGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C3CC3)c2)cc1 6587754 RNCUERMCSQSFIV-UHFFFAOYSA-N 373.434 1.967 50 40 FDGB Cc1csc(=O)n1CCCC(=O)NNC(=O)c1n[nH]c2c1CCCC2 12548326 KLDYYQSENGLPNK-UHFFFAOYSA-N 363.443 1.062 50 40 FDGB Cc1nn(-c2ccccc2)c(O)c1/C=C(\C#N)c1nc(N)nc(N(C)C)n1 4717712 BWARYLGXXHYFLZ-FMIVXFBMSA-N 362.397 1.784 50 40 FDGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)COc2ccccc2F)c1 7517525 OVPSICIAAWCNFA-UHFFFAOYSA-N 352.387 1.831 50 40 FDGB NC(=O)C(=O)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1 7993077 FVWQKMCMYPCJAD-RQZCQDPDSA-N 363.468 1.797 50 40 FDGB O=C(CNC(=O)c1ccco1)N/N=C/c1cccc(Br)c1 1922082 KQJKKZPTSRKTMU-CAOOACKPSA-N 350.172 1.922 50 40 FDGB COc1ccc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)c(OC)c1OC 16215746 MLDOIQWKJUZJMD-NSHDSACASA-N 356.338 1.014 50 40 FDGB CN(C)c1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 100755793 AZJKIDMYHOKKMZ-INIZCTEOSA-N 352.394 1.319 50 40 FDGB COc1cc(OC)cc(C(=O)NNC(=S)NC(=O)c2cccnc2)c1 2374387 ZXQOCUMTFIOWOT-UHFFFAOYSA-N 360.395 1.048 50 40 FDGB CCOC(=O)NCC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 46412574 YJGHRCORZUKJCL-UHFFFAOYSA-N 362.411 1.626 50 40 FDGB COc1cccc(/C=N/NC(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)c1O 5501033 IAQXBAMUJLBRJX-SXGUVYOMSA-N 361.358 1.834 50 40 FDGB O=C(NNC(=O)[C@H](C1CC1)N1CCCC1)c1cc(-c2ccccc2)on1 95940187 UDSHQWMCXBVWGM-KRWDZBQOSA-N 354.410 1.977 50 40 FDGB COC(=O)[C@@H]1C[C@@H](I)CN1C(=O)OC(C)(C)C 44667953 VGFYULNTTQXRQU-SFYZADRCSA-N 355.172 1.972 50 40 FDGB CC(C)NC(=O)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 23136064 KASOVYSVYOBHJB-UHFFFAOYSA-N 362.817 1.902 50 40 FDGB COc1cc(C=NNC(=O)Cn2cnc3ccccc32)cc(OC)c1O 12418396 UHDOXSWNXFAHLS-UHFFFAOYSA-N 354.366 1.909 50 40 FDGB N#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(Br)cc1 4942680 JPADETQXMCODCI-VIFPVBQESA-N 360.171 1.077 50 40 FDGB COc1ccccc1CCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 3362335 DGMWLSFXXLGNDS-UHFFFAOYSA-N 366.377 1.326 50 40 FDGB C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccc2c(c1)OCCO2 5478678 ZFYYSUIOKYJXBN-HYARGMPZSA-N 367.405 1.922 50 40 FDGB Cc1cc(O)c(C)c(O)c1/C=N/NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1 12445143 LCVZCUCZLPIHDO-YFVFZYFJSA-N 367.405 1.695 50 40 FDGB COc1cccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1O 8168724 QVVLLEVGUBMMOZ-XLTHYULKSA-N 353.378 1.904 50 40 FDGB NNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3Cc4c([nH]c5ccccc45)C[C@@H]3C[C@H]21 4721762 FSQRVRPQXUTOFA-FZNKHGCOSA-N 354.454 1.292 50 40 FDGB COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3F)CC2=O)cc1 105058729 FQGMMIMCGNBTBM-GFCCVEGCSA-N 371.368 1.648 50 40 FDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 4730281 JNUYOQQSJNOBBN-SJORKVTESA-N 360.377 1.950 50 40 FDGB Cc1cc(S(=O)(=O)NNC(=O)c2ccco2)ccc1Br 7519742 ZKZNBHJGZIYQIX-UHFFFAOYSA-N 359.201 1.974 50 40 FDGB CCN1C(=O)C(=CNNC(=O)C2CCCCC2)C(=O)N(CC)C1=S 8484617 HQFDSQBCRAEHNS-UHFFFAOYSA-N 352.460 1.067 50 40 FDGB CCNc1nnc(SCC(=O)NNC(=O)Cc2nc(C)cs2)s1 9689824 YDUCCXLLEGUWAC-UHFFFAOYSA-N 372.501 1.217 50 40 FDGB CCN1CC=C2[C@@H](C1)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)C2(C#N)C#N 34806569 QNFQWYOPIQOPBS-IIBYNOLFSA-N 370.416 1.538 50 40 FDGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1 408798002 HPFCWGOIGOAXIJ-CXUHLZMHSA-N 351.362 1.857 50 40 FDGB COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O1 658984 MAIMGURWXGMRBY-OAHLLOKOSA-N 358.350 1.493 50 40 FDGB O=C(NC(=S)NNC(=O)c1ccccc1O)c1ccc([N+](=O)[O-])cc1 2064464 YYIYTIGNCRBUBX-UHFFFAOYSA-N 360.351 1.250 50 40 FDGB COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1cc(F)ccc1F)C(F)(F)F 2769953 OPVRSWJJVWTBBW-KCJUWKMLSA-N 361.650 1.977 50 40 FDGB Cc1ccccc1NCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 49949796 SPHGCNMZQPBWSC-KRWDZBQOSA-N 355.394 1.784 50 40 FDGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C1/C(=O)N=C(O)N=C1O)CO2 6762018 SSSKJLXVEIKJHE-LLVKDONJSA-N 374.353 1.007 50 40 FDGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1cnccn1 5949412 DAYDLRRWKVCHLY-BNCCVWRVSA-N 366.131 1.617 50 40 FDGB Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cccs1 8746183 LHRFSEYOBXZPDV-UHFFFAOYSA-N 364.246 1.472 50 40 FDGB CC(=NNC(=O)c1nc2nc(C)cc(C)n2n1)c1ccc([N+](=O)[O-])cc1 254310078 TUADSGFVMUJTJM-UHFFFAOYSA-N 353.342 1.803 50 40 FDGB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1C 575422996 NGPDLCULJABOLC-VXGBXAGGSA-N 351.877 1.295 50 40 FDGB COc1ccccc1NCC(=O)NNC(=O)c1cccc(NC(C)=O)c1 12543670 XMOGQUZMKOZCBD-UHFFFAOYSA-N 356.382 1.527 50 40 FDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cnc2ccccn2c1=O 58381229 UXHXUIIRIRZKBG-UHFFFAOYSA-N 366.421 1.672 50 40 FDGB C[C@]1(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1(Cl)Cl 6468539 LFMDOJLPETVDHE-LLVKDONJSA-N 351.211 1.636 50 40 FDGB O=C(COc1ccccc1F)NNC(=O)c1ccc(C(F)(F)F)nc1O 8734155 YETHCFRFHLSNOS-UHFFFAOYSA-N 373.262 1.785 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 409358621 MKKZNQJZHKAILP-DJKKODMXSA-N 356.334 1.731 50 40 FDGB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C(/C#N)C(N)=O)o2)cc1 5639319 AZZBBOIHDQVIKU-WQLSENKSSA-N 359.363 1.164 50 40 FDGB COc1ccc(C(=O)NNC(=O)CSc2nnc(C(C)C)n2C)cc1 1364173 XCJQBFRLXQAXOW-UHFFFAOYSA-N 363.443 1.500 50 40 FDGB COCCNC(=O)CC(=O)N/N=C/c1cc(Br)ccc1OC 59515336 KYOBMKDIXLVSRH-RQZCQDPDSA-N 372.219 1.061 50 40 FDGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2)s1 408731656 OLVURJKEJLHTMY-LZYBPNLTSA-N 367.818 2.453 50 40 FDGB CC(C)CCNC(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21 199413511 TUBGSTCQIZTJSN-UHFFFAOYSA-N 358.442 1.731 50 40 FDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)cc2)cc1 5718022 YQRTVSRXZFYWEM-UDWIEESQSA-N 369.377 1.961 50 40 FDGB Cc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 6840333 UZUVXDZUXGAXDS-YBFXNURJSA-N 363.414 1.905 50 40 FDGB CCOC(=O)[C@H](C(C)=O)[C@H](c1ccccc1)[C@@H](C#N)C(N)=C(C#N)C#N 78549507 KJAJSAQBIXWDHV-BRWVUGGUSA-N 350.378 1.938 50 40 FDGB O=C(NNC(=O)C1[C@@H]2CCCC[C@@H]12)c1coc(=O)c(Br)c1 1246611 AKDOOCKFYTWJRI-RKDXNWHRSA-N 355.188 1.600 50 40 FDGB CN1C(=C(C#N)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)N(C)c2ccccc21 12540051 VMORDDREESPVHQ-UHFFFAOYSA-N 365.349 1.647 50 40 FDGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCOCC2)o1 107610011 OQZJSIWUHNZRBD-PDGQHHTCSA-N 358.354 1.717 50 40 FDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C 8571373 BNCMVYQQMNSRSH-SRZZPIQSSA-N 368.393 1.209 50 40 FDGB Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 5024179 WZOCZXMYJCYYKN-DKZLBQRBSA-N 367.409 1.009 50 40 FDGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccn1 4545620 MEDWKXWWPQALQP-FYJGNVAPSA-N 368.393 1.083 50 40 FDGB CC(C)(C)c1cc([C@@H](CC(=O)NN)C(=O)NN)cc(C(C)(C)C)c1O 255188741 LGJROBOUPKRBQX-LLVKDONJSA-N 350.463 1.441 50 40 FDGB COc1cc(NC(=S)NNC(=O)c2ccncc2)cc(OC)c1OC 17074534 IHDCXCAVCOKVPK-UHFFFAOYSA-N 362.411 1.739 50 40 FDGB CCc1sc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc1C 29757982 PXMGZBINHYPSME-GFCCVEGCSA-N 351.472 1.884 50 40 FDGB [N-]=[N+]=CC(=O)C[C@@H](NC(=O)c1ccccc1C(=O)NN)c1ccccc1 4836975 VIHYVPQLDIKQBF-MRXNPFEDSA-N 351.366 1.021 50 40 FDGB COc1c(OC(C)=O)ccc(/C=N\NC(=O)Cc2cccn2C)c1[N+](=O)[O-] 13635196 MIOBOTUEVBZIAA-ZDLGFXPLSA-N 374.353 1.560 50 40 FDGB COc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1 19849375 SKLSSPGYWOEHEQ-UHFFFAOYSA-N 366.465 1.963 50 40 FDGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(O)cc1 5740799 NMAUBCXGBZDKCT-XDHOZWIPSA-N 370.365 1.901 50 40 FDGB O=C(CNc1ccc(I)cc1)N/N=C1/CCCN1 3185214 BZCLMISRHUFBFS-UHFFFAOYSA-N 358.183 1.516 50 40 FDGB CCc1ccc[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2ccccc2O)c1 13739310 QRYJNYWLKYUVII-UHFFFAOYSA-O 369.426 1.745 50 40 FDGB C/C=N/O[C@H]1NC(Br)=C(C#N)[C@](C#N)(C(N)=O)C1(CC)CC 22172465 DSUVVEQNTBNDGX-FILZKNRXSA-N 368.235 1.870 50 40 FDGB Cc1c(C(=O)NNC(=O)[C@@]23CCC(=O)N2CCS3)oc2ccccc12 24979772 JBDAFDVBVUPIQR-KRWDZBQOSA-N 359.407 1.568 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)N=C(O)N(c2ccccc2OCC)C1=O 1794163 ZSTVKOMTDOKFTJ-QXMHVHEDSA-N 374.397 1.567 50 40 FDGB O=C(NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)c1ccc(Br)o1 101088136 DEVBDPVDCFRFSB-JDYBYMESSA-N 371.187 1.550 50 40 FDGB Nc1nccnc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14045119 IJSAEFFFGVJDKJ-UHFFFAOYSA-N 363.377 1.566 50 40 FDGB IC[C@H]1OCCO[C@H]1CI 6185660 VPRQQKITYSDVEH-OLQVQODUSA-N 367.952 1.640 50 40 FDGB C[C@@H]1CN(CCNS(=O)(=O)c2ccc(CCCl)cc2)C[C@@H](C)O1 55580558 COXOLWZKIDWFNI-ZIAGYGMSSA-N 360.907 1.855 50 40 FDGB Cc1ccc(C(=O)NNC(=O)N2CCN(c3ccccc3O)CC2)cc1 9368741 YZRVPKLBGRRGBY-UHFFFAOYSA-N 354.410 1.877 50 40 FDGB Cc1cc(C(=O)N/N=C/c2cc(I)ccc2O)[nH]n1 4937209 LZIORZJMLNXKQM-MKMNVTDBSA-N 370.150 1.792 50 40 FDGB COc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 68933308 YJRQZQDCDCZIMI-AWEZNQCLSA-N 367.405 1.818 50 40 FDGB N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCCC1 409368078 QZKZFRLROKZMAO-RVDMUPIBSA-N 356.382 1.961 50 40 FDGB COc1ccnc(NNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 52582116 NVBOUCPFKBCTBB-UHFFFAOYSA-N 355.314 1.336 50 40 FDGB NC(=O)N/N=c1\cnn(-c2ccccc2)cc1-c1ccc([N+](=O)[O-])cc1 3165367 SFWKOVMJUGURCQ-CAPFRKAQSA-N 350.338 1.932 50 40 FDGB Cc1cc(C)n(Cn2ccc(C(=O)N/N=C/c3c(C)nn(C)c3F)n2)n1 252489140 JHKFIOLFZGOUGY-QGMBQPNBSA-N 358.381 1.147 50 40 FDGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1C 102201827 ILDDOMJAFVZHTL-PYOKUCOHSA-N 372.421 1.741 50 40 FDGB CC1CCC(=NNC(=O)C[C@H]2NC(Cc3ccccc3)=NNC2=O)CC1 820143 NBQKXYMNCHQDEV-FQNRMIAFSA-N 355.442 1.703 50 40 FDGB COc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 108135161 VUMMUEOPQXMVAP-PDGQHHTCSA-N 367.471 1.740 50 40 FDGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(CN2CCOCC2)cc1 20246305 RYLQVUYWHBMEEF-FYJGNVAPSA-N 367.405 1.981 50 40 FDGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccccc1 408535996 PLGPTDIUSXVZQY-HMASQMOLSA-N 368.324 1.441 50 40 FDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1[N+](=O)[O-] 793531 NKVCMAPHQBCSPH-LICLKQGHSA-N 351.326 1.399 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 5218608 KDBMAUPKMZTBQK-CAOOACKPSA-N 359.342 1.345 50 40 FDGB Cc1cc(/C=C(\C#N)C(=O)NNC(=O)C2CC2)c(C)n1C[C@@H]1CCCO1 98042470 RPLKGQHVHQTCGD-NDCSFFLDSA-N 356.426 1.748 50 40 FDGB O=C(NCc1cccnc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408687675 USLVVZXMOOAPOT-GRRRKWKPSA-N 351.200 1.269 50 40 FDGB O=C(CCl)Nc1ccc(N2CCOCC2)c(C(=O)N2CCCC2)c1 9273560 SEXGOCYMHSKJQZ-UHFFFAOYSA-N 351.834 1.937 50 40 FDGB CC(C)CN1C(=O)c2ccc(C(=O)NNC(=O)c3cccnc3)cc2C1=O 2368663 NNSIZRFIMPBCIV-UHFFFAOYSA-N 366.377 1.408 50 40 FDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccoc2)c1-c1cccs1 9479280 SPVSYXCMUZMAOP-OMCISZLKSA-N 370.354 1.318 50 40 FDGB CO[C@@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H]1SC#N 5048025 BPVKXUSSTFCNFF-FMCLSXCISA-N 354.340 1.067 50 40 FDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2)cc1OC 5514323 YEJRLBGAINHJAU-FYJGNVAPSA-N 355.394 1.513 50 40 FDGB COc1cc(C(=O)NNC(=O)COc2cccc(C)c2)cc(OC)c1OC 1479715 KCTHQJPFHBALGG-UHFFFAOYSA-N 374.393 1.861 50 40 FDGB Cc1cc(C(=O)NNC(=O)c2ccc(=O)[nH]n2)c(C)n1-c1ccccc1 3287832 WKHNLHBLUYYGSI-UHFFFAOYSA-N 351.366 1.252 50 40 FDGB COC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(C)cc1 2309974 OAGKVOWNNWQVPT-UONOGXRCSA-N 359.407 1.792 50 40 FDGB O=C(NN=Cc1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1)c1ccncc1 254293576 HQCOTABINBVICM-UHFFFAOYSA-N 360.329 1.989 50 40 FDGB CC(=O)N1CCN(CC(=O)/C(C#N)=C2\Sc3ccccc3N2C)CC1 24002690 IHHGBTRMESVLBV-JXAWBTAJSA-N 356.451 1.697 50 40 FDGB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/NNC(=O)c1ccncc1 5529171 RTCPLDSOCIRWOY-SDNWHVSQSA-N 371.397 1.001 50 40 FDGB CN1C(=O)[C@@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cccc(Cl)c21 79484393 FPRPRUUGHGUVNG-GOSISDBHSA-N 370.796 1.441 50 40 FDGB COc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccccc1 6544785 JNOBVSUDEZBKKJ-LDADJPATSA-N 361.423 1.466 50 40 FDGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)Cc3ccccc3)C2=O)cc1 102314221 NCQHFQXPPYNKLN-MRXNPFEDSA-N 353.378 1.191 50 40 FDGB O=C(CCNC(=O)c1ccc(F)cc1F)NNC(=O)c1ccccc1O 10125767 YMFKIGAQOYLBCL-UHFFFAOYSA-N 363.320 1.252 50 40 FDGB CCOc1ccc(/C(C)=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1 25763067 HENKPRGYMKWPHO-GIJQJNRQSA-N 370.373 1.094 50 40 FDGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc2ccccc2oc1=O 12989847 HOIBKANZLNOTKN-MRXNPFEDSA-N 366.329 1.394 50 40 FDGB COc1cc(C=NNC(=O)Cn2nnc3ccccc32)cc(OC)c1OC 19771546 MVYPWRQAXNXLAH-UHFFFAOYSA-N 369.381 1.607 50 40 FDGB O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(B(O)O)c1 1139785119 NJXWQBZHIOEUGZ-UHFFFAOYSA-N 368.076 1.223 50 40 FDGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c1 2342562 YNNGGBWUDLVHGZ-MRXNPFEDSA-N 353.378 1.929 50 40 FDGB COc1ccc(/C=N/NC(=O)c2n[nH]c(=O)c3ccccc23)c(OC)c1 6648978 KCMKYSFIGKOHBU-VXLYETTFSA-N 352.350 1.704 50 40 FDGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)cc1 15243810 ROEJSOCKYJULEP-UHFFFAOYSA-N 373.390 1.578 50 40 FDGB COc1cccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 409117401 LRMRPTFEERBBFR-LDADJPATSA-N 361.423 1.855 50 40 FDGB Cc1[nH]nc2c1[C@]1(C(=O)Nc3ccc(Br)cc31)C(C#N)=C(N)O2 705589 MXTKHYLZKFRLSW-OAHLLOKOSA-N 372.182 1.805 50 40 FDGB Cc1ccc(N2C(=O)N=C(O)/C(=C\NNC(=O)c3ccncc3)C2=O)cc1 4857299 SNFIDXPMMARTJS-GXDHUFHOSA-N 365.349 1.632 50 40 FDGB COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1cc(F)ccc1F)C(F)(F)F 2769954 OPVRSWJJVWTBBW-LDYMZIIASA-N 361.650 1.977 50 40 FDGB O=C(Cc1ccccc1)NN[C@@H](C(=O)N1CCOCC1)c1ccccc1 8777351 JJZWTPYSBUUGHW-LJQANCHMSA-N 353.422 1.450 50 40 FDGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccccc1Cl 25762803 DRYFKBXKTDUQOU-REZTVBANSA-N 360.765 1.348 50 40 FDGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c1 408961502 CNQKHPYWEJVXKW-ZDLGFXPLSA-N 358.354 1.896 50 40 FDGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C\C(=O)O)cc2)c1 33451623 FHSIREFSLMVSJU-KTKRTIGZSA-N 367.361 1.649 50 40 FDGB CCOc1cccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)c1O 223163274 SNFUPYVHRZVIIW-BKUYFWCQSA-N 355.394 1.600 50 40 FDGB COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)[C@H](C(=O)OC)C(=O)N1 105317692 VEBPXCBYUOZINH-KGLIPLIRSA-N 360.391 1.331 50 40 FDGB O=C(NNC(=S)Nc1ccc2c(c1)OCCO2)c1cc(O)ccc1O 1616040589 PUVJMDQWZIREPI-UHFFFAOYSA-N 361.379 1.500 50 40 FDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 5774761 AYWOEJNRBDMXCE-MHWRWJLKSA-N 362.367 1.023 50 40 FDGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1cccnc1 101046656 NKTDQOSBSYDXSG-CIAFOILYSA-N 354.366 1.987 50 40 FDGB O=C(CCC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1 1956034 AHDLADZFJAFOBI-AYKLPDECSA-N 354.366 1.478 50 40 FDGB O=C(COc1ccccc1F)NNS(=O)(=O)c1ccc(Cl)cc1 7517470 SNHPKJLJAOVHBE-UHFFFAOYSA-N 358.778 1.868 50 40 FDGB Cc1cccc(N2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)c1C 36389710 JRSYTUSFLWDLDA-UHFFFAOYSA-N 366.465 1.887 50 40 FDGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 409261974 FSKXRONVXBJPSF-BAOGCXAUSA-N 356.378 1.812 50 40 FDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2O)cc1OC 2053324 ZXWLZIVPIFCRMI-CIAFOILYSA-N 371.393 1.218 50 40 FDGB COc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1Cl 6646960 AOKKNPJBBZROGE-UHFFFAOYSA-N 364.814 1.693 50 40 FDGB Cc1cc(C)cc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1 6825790 ZGVGHJUYTKSFHT-BJMQQELFSA-N 374.437 1.965 50 40 FDGB O=C(Cc1csc(-c2ccc(F)cc2)n1)NNC(=O)C1=COCCO1 14233506 OFVVFTKABLYPOA-UHFFFAOYSA-N 363.370 1.527 50 40 FDGB COc1cc(CC(=O)NNC(=O)c2cccs2)cc(OC)c1OC 6784299 YLTMCGRPNLKOGN-UHFFFAOYSA-N 350.396 1.778 50 40 FDGB C[C@@H]1CCO[C@@H]1C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 95942905 RDCBTOYJFQJSLT-OLZOCXBDSA-N 370.450 1.047 50 40 FDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Oc2ccccc2)cc1 7955161 KTNYLIBPDWSJBA-CQSZACIVSA-N 374.418 1.675 50 40 FDGB Cc1nc2ccccc2c(=O)n1CCC(=O)NNC(=O)c1ccccc1O 29762102 HVNRVXHKSCEQJV-UHFFFAOYSA-N 366.377 1.262 50 40 FDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(C)o1 32654869 GURLDHGYGMJDIV-CWZJEYLYSA-N 360.391 1.367 50 40 FDGB CSc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 16248767 CGMGERZWPNAINM-GHMZBOCLSA-N 355.890 1.091 50 40 FDGB CCOc1ccc(Br)cc1/C=N\NC(=O)CN1CCOCC1 33335350 GJMRZKDWILKWOX-YVLHZVERSA-N 370.247 1.630 50 40 FDGB COC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)CC(=O)N1 6440823 GMDKGSCMQLAODS-GFCCVEGCSA-N 360.391 1.718 50 40 FDGB CCCOc1ccc(CCC(=O)N/N=C/[C@@H]2C(=O)NC(=O)N[C@H]2C)cc1 106963357 HNJBKAQBEVIUKP-JRGCVEHASA-N 360.414 1.354 50 40 FDGB CCc1sc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1C 12816219 YFXKZELCUOCNLO-UHFFFAOYSA-N 371.418 1.920 50 40 FDGB CCc1ccc(OCC(=O)NNCC(=O)Nc2ccc(OC)cc2)cc1 6077858 OXDZCLRLXOTWMA-UHFFFAOYSA-N 357.410 1.896 50 40 FDGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)[C@@H](O)c1ccccc1 5522932 KRUFMSMWAWEMHO-AWEZNQCLSA-N 374.194 1.955 50 40 FDGB NC(=O)N[C@H](CC(=O)NNC(=O)c1ccccn1)c1ccc(Cl)cc1 7652993 CJKNQBNATQVWOJ-CYBMUJFWSA-N 361.789 1.296 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1 8940182 LYJKBKIDENHADU-UHFFFAOYSA-N 372.244 1.719 50 40 FDGB COC(=O)/C(C#N)=C/c1c(N2C[C@@H](C)O[C@H](C)C2)nc2ccccn2c1=O 5024238 YTNRUFWPXLBSGI-SHFBUDTHSA-N 368.393 1.388 50 40 FDGB CCOC(=O)CC1=C(C#N)[C@@H](c2cccnc2)C(C(=O)OCC)=C(N)O1 715118 DNBKYYNDOFWJRK-OAHLLOKOSA-N 357.366 1.660 50 40 FDGB CC[C@H](C)/C(C)=N/NC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 4402423 IWICJLOTDXSJHJ-ADHQNKHFSA-N 356.404 1.411 50 40 FDGB O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 2060543 KSIHCILAHOQHHS-UHFFFAOYSA-N 366.311 1.126 50 40 FDGB O=C(Cl)[C@H]1CC(=O)N(c2cccc(N3C[C@H](C(=O)Cl)CC3=O)c2)C1 100680487 FGDZIXPAUAANFF-AOOOYVTPSA-N 369.204 1.923 50 40 FDGB COc1ccc(C)cc1N(CC(=O)NN=C1CCCC1)S(C)(=O)=O 408776945 SILFJWBQLVXXHY-UHFFFAOYSA-N 353.444 1.816 50 40 FDGB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCl 8183746 JNYQQISNJYXKAB-UHFFFAOYSA-N 362.835 1.284 50 40 FDGB CS(=O)(=O)[C@H](I)C(=O)c1cccc([N+](=O)[O-])c1 96517915 PVDZIYITYHQUHQ-VIFPVBQESA-N 369.136 1.583 50 40 FDGB Cc1cccc(/C=N/NC(=O)CCC(=O)N/N=C/c2cccc(C)n2)n1 6217763 BXJKETIUGUWQKW-AYKLPDECSA-N 352.398 1.474 50 40 FDGB COc1ccccc1N1C[C@@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O 22233602 FMWNETWNDWUGJR-ZDUSSCGKSA-N 355.398 1.598 50 40 FDGB O=C1NC(=O)C(=Cc2ccc(N(CCCl)CCCl)cc2)C(=O)N1 3034075 VMTWXIRNUYZQPN-UHFFFAOYSA-N 356.209 1.720 50 40 FDGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)c1 4851050 GLGCGKDGWVHDTJ-MRXNPFEDSA-N 353.378 1.376 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 7785451 SKWPGWWKAYSRRJ-CIAFOILYSA-N 371.393 1.479 50 40 FDGB CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(=O)nc[nH]c32)C[C@H]1O 195759589 GHCYFLRPIRMTTP-GRYCIOLGSA-N 366.494 1.790 50 40 FDGB C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)N(C)CCC#N)cc2C1 72301187 AYXSLGFSIRZNHQ-SNVBAGLBSA-N 356.473 1.198 50 40 FDGB COc1ccc(/C=N/NC(=O)CNC(=O)Nc2n[nH]c(=S)s2)cc1 1579915 BFCAZAVEEBAWCK-GIDUJCDVSA-N 366.428 1.481 50 40 FDGB O=C1N=C(NNC(=O)c2ccncc2)S/C1=C/c1ccc([N+](=O)[O-])cc1 6550497 VMVZRUQWAYVCAJ-UKTHLTGXSA-N 369.362 1.895 50 40 FDGB Cc1ccccc1C(=O)NNC(=O)NCc1ccccc1N1CCOCC1 62563064 ZGLWOWYIQOPVCR-UHFFFAOYSA-N 368.437 1.976 50 40 FDGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccncc2)sc(C(N)=O)c1C 6571250 JVRIHOXWPBBRMS-YRNVUSSQSA-N 370.390 1.883 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1 5539505 SBJHMHZYZLGRIC-UHFFFAOYSA-N 358.394 1.917 50 40 FDGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 409077607 FAZFABSOCNPACH-VCHYOVAHSA-N 353.338 1.549 50 40 FDGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)C(=O)Nc1ccccc1C(=O)O 226819576 BJVLWEXGGWTSGR-VIZOYTHASA-N 362.323 1.443 50 40 FDGB C[C@]1(NNC(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N(c2ccccc2)O1 5920190 UTEMCVLXCSKDSY-QGZVFWFLSA-N 356.338 1.914 50 40 FDGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(OC)c1OC 3009212 ZVZUPPHAPAOZEB-DJKKODMXSA-N 361.354 1.072 50 40 FDGB COc1ccccc1N1C[C@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O 22233605 FMWNETWNDWUGJR-CYBMUJFWSA-N 355.398 1.598 50 40 FDGB Cn1ccnc1[C@](O)(CC(=O)NNC(=O)c1ccccc1)C(F)(F)F 12541355 VLDLLNKQIZMWFG-CQSZACIVSA-N 356.304 1.021 50 40 FDGB C=CCOC(=O)C1=C(C)N(C)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 4517081 MCWYUWUCIHXTKR-LJQANCHMSA-N 351.362 1.486 50 40 FDGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 6647925 OSALHSHCHQCMQE-FYJGNVAPSA-N 374.441 1.054 50 40 FDGB COc1ccc(C(=O)NCCCC(=O)NNC(=O)c2ccc(C)cc2)cc1 25045245 UVGUXFZVMQEBEX-UHFFFAOYSA-N 369.421 1.975 50 40 FDGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)CC[C@H]1C(=O)NN=C1C 100334372 BHCITJCRJIVETE-HALGXTDHSA-N 362.386 1.065 50 40 FDGB CC(C)(C)OC(=O)N1CCN(c2cc(CCl)nc3ncnn23)CC1 39320006 WJYILQDQTXUERL-UHFFFAOYSA-N 352.826 1.920 50 40 FDGB C=CCC1([C@H](Br)[C@@H](C)Br)C(=O)NC(=O)NC1=O 101342138 CSDYEFNIGZLRSB-PHDIDXHHSA-N 368.025 1.462 50 40 FDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2ncsc2c1 26691995 XAUQAABMVDUDSQ-AWEZNQCLSA-N 355.375 1.897 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccc(F)cc1)C1CCCCC1 35085345 HFEFFRHTMWNTFL-WQRHYEAKSA-N 355.435 1.870 50 40 FDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccs2)cc1OC 3057044 VKUKVHVVNRDEEO-YBFXNURJSA-N 361.423 1.574 50 40 FDGB CS(=O)(=O)N1CCCc2cc(C(=O)NNC(=O)c3ccccc3)ccc21 12741537 CQYYHCFMXKDGEC-UHFFFAOYSA-N 373.434 1.474 50 40 FDGB CN1c2ccsc2/C(=N/NC(=O)c2ccc(F)cc2)CS1(=O)=O 1386832 HAGZONQMMRTGCL-LFIBNONCSA-N 353.400 1.801 50 40 FDGB CCc1cc2cc3c(cc2nc1SCC(=O)NNC(C)=O)OCCO3 4849587 AEGLXNHZCXCLQH-UHFFFAOYSA-N 361.423 1.828 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)N=C(O)N(c2ccc(OC)cc2)C1=O 2262604 VUGGAKINSUWOOC-RAXLEYEMSA-N 360.370 1.177 50 40 FDGB CCc1ccc(OCC(=O)NNC(=O)CCNC(=O)c2ccccc2)cc1 15890828 JPBHLTMIIMBPII-UHFFFAOYSA-N 369.421 1.595 50 40 FDGB N#CC1(C#N)C[C@]2(O)NC(=O)[C@]1(C#N)[C@H](c1ccccc1)[C@@H]2Br 100082592 PHHURESSVHMUKY-GUYJKWIASA-N 371.194 1.299 50 40 FDGB CS(=O)(=O)N1CCC[C@@H]1C(=O)NN=C(c1ccccc1)c1ccccc1 30553818 UOIXZQUUOTZZHL-QGZVFWFLSA-N 371.462 1.979 50 40 FDGB CC1=C(C(=O)OC(C)(C)C)[C@@]2(C(=O)N1)C(C#N)=C(N)Oc1ccccc12 4517209 WOFHNGPYDQOUPE-IBGZPJMESA-N 353.378 1.756 50 40 FDGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(N)=O 4508561 ZSENDXBYYGQKIN-FMIVXFBMSA-N 373.346 1.755 50 40 FDGB Cc1cc(C(=O)NNC(=O)N2CCN(c3ccccc3O)CC2)c(C)o1 9316877 FEKPYYXWUAKCPZ-UHFFFAOYSA-N 358.398 1.779 50 40 FDGB COc1cc(Cl)ccc1C(=O)NNS(=O)(=O)c1c(C)n[nH]c1C 9724502 CIXCOPKYUMCROV-UHFFFAOYSA-N 358.807 1.312 50 40 FDGB CC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1 1529710 VVOIFRARHIZCJD-GHMZBOCLSA-N 365.169 1.480 50 40 FDGB biogenic,in-vitro COC(=O)c1ccc([C@@H]2[C@@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 27130068 YNYGYZVUELWZGF-IAGOWNOFSA-N 359.389 1.486 50 40 FDGB O=C(NNC(=O)[C@H]1CCCN1C(=O)NC1CCCCC1)C1CCCC1 58118529 ZEVFIURSDDWMOY-OAHLLOKOSA-N 350.463 1.831 50 40 FDGB Cc1cc(C(=O)NNC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)c(C)o1 12973665 DPWNZNKKWPYPCZ-UHFFFAOYSA-N 350.400 1.345 50 40 FDGB Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccccc32)c([N+](=O)[O-])c1 6199234 KKXHXIBSFYQABN-UHFFFAOYSA-N 354.322 1.755 50 40 FDGB O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccc2c(c1)OCO2 8122842 OZXRXXXMVOGOLA-UHFFFAOYSA-N 352.144 1.581 50 40 FDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(N(C)C)cc2)cc1 223159493 HBBYBAYVNKHZFZ-NDENLUEZSA-N 368.393 1.628 50 40 FDGB COc1ccnc(NNC(=O)c2nc(N3CCCCC3)ncc2Cl)n1 40153978 FTEBJBRKULNHFH-UHFFFAOYSA-N 363.809 1.676 50 40 FDGB O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 4651722 COYHOSGBUYLGIB-PKIAMQTDSA-N 350.802 1.777 50 40 FDGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1 6867523 VSLQUKLMUQXGDG-SRZZPIQSSA-N 368.393 1.209 50 40 FDGB CCOC(=O)N1CCC(=NNC(=O)Cn2ccc(C(F)(F)F)n2)CC1 4863600 RGFJSXIAXGZDOX-UHFFFAOYSA-N 361.324 1.626 50 40 FDGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)CNC(=O)c2ccccc2)c1C 6983951 KONSAHGZEMRQJO-OAHLLOKOSA-N 369.421 1.648 50 40 FDGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccccn1)c1ccc(Cl)cc1 7652984 CJKNQBNATQVWOJ-ZDUSSCGKSA-N 361.789 1.296 50 40 FDGB COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 26741755 ATTHONXGGHWGAN-OAHLLOKOSA-N 367.405 1.818 50 40 FDGB CCOc1cc(/C=N/NC(=O)CC(=O)NCc2cccnc2)ccc1O 5332818 SAZIYMOELARZMW-CIAFOILYSA-N 356.382 1.343 50 40 FDGB CCCOc1ccc(/C=N/NC(=O)C(=O)NCCOC)cc1OCC 4405491 ODMZMLVOXJYRQC-XDHOZWIPSA-N 351.403 1.087 50 40 FDGB COc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)c(OC)c2c1OCO2 22173205 WVPDYBUVWKQQFJ-UHFFFAOYSA-N 358.379 1.651 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 104769352 VDNGUVRPTJEIJE-QBFSEMIESA-N 358.354 1.677 50 40 FDGB CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 4855512 DHPAOFIMSCAOCS-SDNWHVSQSA-N 374.397 1.363 50 40 FDGB CCOC(=O)COc1cc(Br)c(/C=N/NC(C)=O)cc1OC 409012677 RHCJMNBCVOAMGB-FRKPEAEDSA-N 373.203 1.870 50 40 FDGB CC(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408780781 KHHOPEDGRBLLFZ-DJKKODMXSA-N 362.773 1.658 50 40 FDGB O=C(NN[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O)c1ccccc1 32603880 SIVZFDWGWMPBAM-INIZCTEOSA-N 368.437 1.964 50 40 FDGB COc1cc(OC)cc(C(=O)NN[C@@H]2CC(=O)N(CCC(C)C)C2=O)c1 102318643 YPQPSIUXOJYQQJ-OAHLLOKOSA-N 363.414 1.112 50 40 FDGB CCOC(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 21772423 BABPNFBHLAVDOZ-UHFFFAOYSA-N 358.398 1.904 50 40 FDGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 6841372 UURZKDCJKNDPJC-SRZZPIQSSA-N 368.393 1.209 50 40 FDGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)c2ccncc2)c2ccccc21 101954616 QVEZYIHSKGTSLZ-CAPFRKAQSA-N 352.350 1.125 50 40 FDGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(=O)N1CCCC1 2268975 PWUKWJMMJUHIRR-SECBINFHSA-N 374.224 1.531 50 40 FDGB CCOC(=O)[C@H](C(C)=O)[C@@H](c1ccccc1)[C@@H](C#N)C(N)=C(C#N)C#N 78549495 KJAJSAQBIXWDHV-ZACQAIPSSA-N 350.378 1.938 50 40 FDGB CO[C@@](CI)(c1ccncc1)n1ccnc1[N+](=O)[O-] 3175293 XAFDUMWYZFQKNH-NSHDSACASA-N 374.138 1.969 50 40 FDGB C[C@H](O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 59960639 SZQKOFPWOIZCCI-FBBFJSPUSA-N 369.421 1.774 50 40 FDGB Cc1cc(C)nc(NNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)n1 29066318 MQLSXQSZKAQQNF-NSHDSACASA-N 367.406 1.043 50 40 FDGB CCCNC(=O)NNC(=O)[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 5783012 UNGBENBEFNULIY-IWERZKIRSA-N 350.463 1.448 50 40 FDGB CC(=O)Nc1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 15926349 XXNRKFLMDQWNSP-UHFFFAOYSA-N 365.393 1.535 50 40 FDGB CN(Cc1ccc(/C=N/NC(=O)Nc2ccccc2)o1)S(C)(=O)=O 217039235 OUFXHUYWRCSZNJ-MHWRWJLKSA-N 350.400 1.827 50 40 FDGB NC(=O)c1c(NC(=O)C(=O)NNc2ccccc2)sc2c1CCCC2 6759305 DQKOGRMNPVYFQR-UHFFFAOYSA-N 358.423 1.808 50 40 FDGB O=C(NNC(=O)c1cc(Cl)c[nH]1)c1csc(N2CCOCC2)n1 40009619 YTVPLPNRQSBBLF-UHFFFAOYSA-N 355.807 1.036 50 40 FDGB COc1ccc(C(=O)NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 4313577 DDMRTZCHTUOQLE-UHFFFAOYSA-N 351.340 1.227 50 40 FDGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(OC)c2c1OCO2 15085607 NDWRACJYBKHJRX-LBPRGKRZSA-N 356.338 1.682 50 40 FDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1 4115153 FZCZSLFFOZIVBY-FOIQADDNSA-N 356.389 1.148 50 40 FDGB O=C(NN=C1CCC(=NNC(=O)c2ccncc2)CC1)c1ccncc1 712049 LHJWHSYXNMTWOI-UHFFFAOYSA-N 350.382 1.922 50 40 FDGB Cc1cccc(C(=O)NNC(=O)Cc2csc(N3CCOCC3)n2)c1C 12973945 HEPWGFLOGNFEEE-UHFFFAOYSA-N 374.466 1.600 50 40 FDGB Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)CCC(=O)O)cc1 4549868 ZFALICRUPKZBEO-UHFFFAOYSA-N 369.377 1.873 50 40 FDGB CCOc1ccc(CC(=O)NNC(=S)NCCCOC)cc1OCC 6949560 RQCJZCMHZLFRAM-UHFFFAOYSA-N 369.487 1.558 50 40 FDGB NC(=S)N/N=C1/[C@@H]2[C@H]3[C@@H]4C[C@@H]2[C@H]2[C@H]4[C@@H](I)[C@@H]3[C@H]12 261361215 JFMQOXYVKCNNAF-WAHGRJBXSA-N 359.236 1.367 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc1OC 6996831 SAJGMJPHTKYJRS-CIAFOILYSA-N 355.394 1.779 50 40 FDGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 409370660 SWDXLSUVMOCKFR-GVAFMPQTSA-N 371.393 1.319 50 40 FDGB COc1ccc(Oc2c[nH]nc2-c2ccc(OCC(=O)NN)cc2O)cc1 18068908 JAVYRYDMXCFHQF-UHFFFAOYSA-N 370.365 1.952 50 40 FDGB O=C(NN=C1CCC(=NNC(=O)c2ccccn2)CC1)c1ccccn1 820224 PDEIASQQRUSXIL-UHFFFAOYSA-N 350.382 1.922 50 40 FDGB Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2cccs2)c1C 7813858 SRSXQFDKZRGHSG-UHFFFAOYSA-N 354.409 1.686 50 40 FDGB CCOc1c(Cl)cc(C(=O)NNC(=O)Cc2cc(C)[nH]n2)cc1OC 8746530 MQFBPGHVIFYOAY-UHFFFAOYSA-N 366.805 1.783 50 40 FDGB O=C(Cn1cnc2ccccc2c1=O)NN=Cc1cccc([N+](=O)[O-])c1 9911037 NOFRTQNGXVYDJU-UHFFFAOYSA-N 351.322 1.455 50 40 FDGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 409255537 LVBMJJHCBNQQOK-PVGUKEHMSA-N 374.441 1.053 50 40 FDGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 45881342 BFFNEVTVTFGCAS-NSHDSACASA-N 367.833 1.614 50 40 FDGB COc1cc(C(=O)N/N=c2/scc(C)n2C(C)=O)cc(OC)c1OC 1415520 VIFFMPBIPCGNBK-FBMGVBCBSA-N 365.411 1.790 50 40 FDGB C=C(C)C(=O)OCCOC(=O)C1=C(N)OC(C)=C(C#N)[C@H]1c1cccnc1 5791551 FEFGNHGKSOLWEK-OAHLLOKOSA-N 369.377 1.826 50 40 FDGB COC(=O)C1=C(N)OC(CCl)=C(C(=O)OC)[C@H]1c1ccc(C#N)cc1 1070170 QPIWGOLAOBFOKZ-GFCCVEGCSA-N 362.769 1.681 50 40 FDGB CCOC(=O)N1CCN(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)CC1 102820794 SWWPSZCQWKCNJX-PEZBUJJGSA-N 372.425 1.493 50 40 FDGB COc1ccccc1N(CC(=O)N/N=C/c1cccs1)S(C)(=O)=O 408921997 NPEHTUQPVIPLOI-MHWRWJLKSA-N 367.452 1.673 50 40 FDGB O=C(NNC(=O)c1ccccc1I)c1cccnc1 14015491 MKFMSUSHZQZTRQ-UHFFFAOYSA-N 367.146 1.761 50 40 FDGB C/C(CC(=O)N1CCN(C=O)CC1)=N\NC(=O)c1ccc(Cl)cc1 4697781 KMGCXKSTTSYKIE-LDADJPATSA-N 350.806 1.136 50 40 FDGB Cc1cc(C)nc(SCC(=O)NNC(=O)COc2ccccc2C#N)n1 6509892 OSOJATBYJSMLMX-UHFFFAOYSA-N 371.422 1.284 50 40 FDGB CN1C(=O)C(=CNc2ccc(SC#N)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 408529052 GUYFJJULTOXWIZ-UHFFFAOYSA-N 361.339 1.514 50 40 FDGB C[C@H]1C[C@@H]1C(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 9603090 XOUCJTQQSVWXIK-LRDDRELGSA-N 362.389 1.803 50 40 FDGB Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1ccccc1 89575508 WYKMJHRFLRSLFP-UHFFFAOYSA-N 351.340 1.232 50 40 FDGB N#Cc1c(N2CCOCC2)nc(N)c2c(N)nc3c(c12)C[C@H](CCl)O3 12504774 PTSXUVCAABVQDB-MRVPVSSYSA-N 360.805 1.045 50 40 FDGB O=C(Cc1csc(N2CCOCC2)n1)N/N=C/c1ccccc1C(=O)O 6078036 AOKHSSKVXYJFFB-VCHYOVAHSA-N 374.422 1.371 50 40 FDGB Cc1ccccc1N(CC(=O)N/N=C/c1cccs1)S(C)(=O)=O 20207483 DXVXBPICQMMRMV-MHWRWJLKSA-N 351.453 1.973 50 40 FDGB CCOC(=O)COc1cc(/C=N\NC(=O)c2ccncc2)ccc1OC 409216797 LOACVYJYRMUCAT-JAIQZWGSSA-N 357.366 1.796 50 40 FDGB Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccnc3)C2=O)cc1Cl 95115770 PCYAOLDYRQCVAY-CQSZACIVSA-N 358.785 1.610 50 40 FDGB O=C(NCCO)N/N=C(/CCN1CCCCC1)c1ccc([N+](=O)[O-])o1 16991366 OZLSBGLUOKDLIF-ATVHPVEESA-N 353.379 1.059 50 40 FDGB COc1c(O)cc(/C=N/NC(=O)Cn2nccc2C)cc1Br 6218723 DUXYTBQMMBVNJO-FRKPEAEDSA-N 367.203 1.819 50 40 FDGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2cccnc2)cc1 100809438 QCVVGOJZBDCTHI-HYARGMPZSA-N 354.410 1.945 50 40 FDGB COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(OC)cc2OC)c1 4838894 HWXQYHIKBSLVIP-UHFFFAOYSA-N 373.365 1.112 50 40 FDGB CNC(=O)/C(C#N)=C/c1c(N2CCCCC2)nc2c(C)cccn2c1=O 2204867 HVYKFJZPBVEVJT-SDNWHVSQSA-N 351.410 1.646 50 40 FDGB Cn1cccc1C(=O)NNC(=O)COc1ccc(Br)cc1 12905055 RZTDENJJYXGBCO-UHFFFAOYSA-N 352.188 1.628 50 40 FDGB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccccc1 33613975 DRGCOFYQSFZLJX-RGEXLXHISA-N 359.451 1.641 50 40 FDGB COC(=O)[C@@H](CI)NC(=O)OCc1ccccc1 34612584 CADXRZVJHPSEOI-SNVBAGLBSA-N 363.151 1.889 50 40 FDGB Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1cccnc1 866605 YRWVXTQJYZYYAX-UHFFFAOYSA-N 364.199 1.993 50 40 FDGB CC(C)[C@@H](Br)C(=O)NNC(=O)[C@]1(C)C[C@@H]1Br 4772907 GJWQREDBFAOCSH-NYNCVSEMSA-N 356.058 1.727 50 40 FDGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cc(Cl)ccc1OC 6779518 GVZCTEXMIKRGBF-UFBFGSQYSA-N 356.810 1.193 50 40 FDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@H]2CC[C@H]1C2 245228742 DSLNZSKLJWYIQW-TUDIPMSASA-N 362.904 1.511 50 40 FDGB COc1cc2ncnc(SCC(=O)NNC(=O)CCl)c2cc1OC 2383392 YJFXVKLYVDDAQF-UHFFFAOYSA-N 370.818 1.125 50 40 FDGB CSc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 16248766 CGMGERZWPNAINM-QWRGUYRKSA-N 355.890 1.091 50 40 FDGB O=S(=O)(c1cnccc1N1CCN(CCCl)CC1)N1CCCCC1 1566411 ZOLJSWQWZGHEGR-UHFFFAOYSA-N 372.922 1.617 50 40 FDGB O=C(CC(=O)N/N=C\c1ccccc1C(=O)O)NCCc1ccccc1 59444518 LOMMWPROWIARLH-BKUYFWCQSA-N 353.378 1.584 50 40 FDGB C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1)CS2 24451269 VWNDHBQEGYAPOO-XHDPSFHLSA-N 353.831 1.555 50 40 FDGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccncc2)cc1 4700056 FGKKOUXPVARTBU-QPJJXVBHSA-N 356.407 1.439 50 40 FDGB COCCNC(=S)NNC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2o1 408586692 PQNUMSKHJNZLRS-UHFFFAOYSA-N 368.371 1.105 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(F)c1)c1cccc(F)c1 409120112 RQKIVUQPQXFDDR-VXLYETTFSA-N 367.377 1.881 50 40 FDGB Cc1cc(C)cc(O[C@@H](C)C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1 6825778 ZGVGHJUYTKSFHT-NHMCJKAESA-N 374.437 1.965 50 40 FDGB Cc1ccc(-c2nnc(CCC(=O)NNC(=O)c3ccncc3)o2)cc1 8983814 BNKJJZQVVFDZQP-UHFFFAOYSA-N 351.366 1.834 50 40 FDGB Cc1ccc(SCC(=O)NNC(=O)C[C@@](C)(O)C(F)(F)F)cc1 7964432 VMWGPIYARVFDPY-CYBMUJFWSA-N 350.362 1.938 50 40 FDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(O)ccc1[N+](=O)[O-] 36206866 LPWGTWDDUJSGCK-LZYBPNLTSA-N 360.282 1.738 50 40 FDGB O=C(COc1ccccc1)NNC(=O)CSc1nc2ccccc2[nH]1 5729055 DFIDCYWTWHJQHC-UHFFFAOYSA-N 356.407 1.881 50 40 FDGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 19953899 UNCPTBCDNZOHSA-LDADJPATSA-N 361.423 1.612 50 40 FDGB CCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1 5718607 ATLXETGNLBVNOD-LDADJPATSA-N 361.423 1.514 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 17072672 CUDBISUOHSJWOG-KBPBESRZSA-N 350.371 1.112 50 40 FDGB Cc1cccc(N2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)c1 12542224 DJMNOQWNQHKZML-UHFFFAOYSA-N 370.428 1.717 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 3092251 GXSNHQZBPNDJID-DZUMZMOTSA-N 353.378 1.801 50 40 FDGB O=C(NNC(=O)[C@@H]1CCCc2ccccc21)c1n[nH]c(=O)c2ccccc12 24833779 GCDMYILLMULPFQ-OAHLLOKOSA-N 362.389 1.804 50 40 FDGB CCOC(=O)[C@@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)NN 2243947 DNIWNXWOSLJJSB-HBNTYKKESA-N 359.304 1.059 50 40 FDGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 28214499 YZNPQXJGWQILMI-YBFXNURJSA-N 363.414 1.193 50 40 FDGB CCOC(=O)c1[nH]ncc1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 98056531 VTNKPDSQKDHJTO-YRNVUSSQSA-N 368.349 1.903 50 40 FDGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)N1CCOCC1 409094731 FPJTZUDKVRURRA-QINSGFPZSA-N 351.362 1.941 50 40 FDGB COc1ccccc1/C=N/NC(=O)CN(c1ccccc1)S(C)(=O)=O 19953894 PWDSLKDIZSAXIC-LDADJPATSA-N 361.423 1.612 50 40 FDGB O=C(NNS(=O)(=O)c1cccc(F)c1)c1cncn1-c1ccccc1 7131608 KEUGCWXJHYPBSX-UHFFFAOYSA-N 360.370 1.635 50 40 FDGB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 102259321 QFMAEQBZRBZKRQ-STQMWFEESA-N 361.785 1.052 50 40 FDGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(\C#N)C(=O)NC[C@H]1CCCO1 111888144 JADAURZBQGCQFB-KPJVXMDVSA-N 352.394 1.770 50 40 FDGB Cc1ccc(Cl)c(OCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1 9114337 OJOPJSRPMDGMCH-LBPRGKRZSA-N 360.863 1.520 50 40 FDGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cccc([N+](=O)[O-])c1O 96838820 GICSTXAVRYAYNR-PXNMLYILSA-N 360.282 1.738 50 40 FDGB Cc1cc2c(c(=O)n1CCCN(C)C)[C@H](c1ccncc1)C(C#N)=C(N)O2 5812083 QUTUCXXWTRGNBW-QGZVFWFLSA-N 365.437 1.722 50 40 FDGB COCCOC1=C(C(C)=O)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 49947123 XCYPOSFRUFLCMN-SFHVURJKSA-N 355.350 1.064 50 40 FDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)Nc4ccccc43)[C@H]2C1 14921442 FZCZSLFFOZIVBY-YWZLYKJASA-N 356.389 1.148 50 40 FDGB C[C@H](C(=O)N/N=C/c1ccccc1O)N(c1ccccc1)S(C)(=O)=O 408922603 PDKQOGGEKRGYBF-RNEAKCBISA-N 361.423 1.697 50 40 FDGB COc1ccc(C(=O)N/N=C/c2cn(CC(N)=O)c3ccccc23)cc1 33957670 USRUNYOTNYTNAB-UFFVCSGVSA-N 350.378 1.899 50 40 FDGB COC(=O)[C@@H]1C[C@H](I)CN1C(=O)OC(C)(C)C 98044241 VGFYULNTTQXRQU-YUMQZZPRSA-N 355.172 1.972 50 40 FDGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NC(=O)Nc1ccc([N+](=O)[O-])cc1O 16693806 GFKGGCOXBHGJAD-XFFZJAGNSA-N 371.309 1.144 50 40 FDGB O=C(CSc1nnc2ccccn12)NNC(=O)c1ccc([N+](=O)[O-])cc1 2639881 JIOHKOMCFGUHSV-UHFFFAOYSA-N 372.366 1.191 50 40 FDGB O=C(COc1cccc(F)c1)NNC(=O)C[C@H]1OC(=O)c2ccccc21 12976486 SMKAUTRQZFDRLO-OAHLLOKOSA-N 358.325 1.654 50 40 FDGB CC1(C)S[C@H]2[C@@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)CN2[C@H]1N=C=O 34864997 NWEOZPHIRLICBG-AEGPPILISA-N 362.411 1.451 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)c1ccc(O)cc1 226856099 IWHULJOPIOZPOR-UHFFFAOYSA-N 370.770 1.367 50 40 FDGB O=C(CCNC(=O)c1ccccc1Cl)NNC(=O)c1ccccc1O 10627198 FJJDJICPRBKOJT-UHFFFAOYSA-N 361.785 1.627 50 40 FDGB N#CC1(C#N)C[C@]2(O)NC(=O)[C@]1(C#N)[C@@H](c1ccccc1)[C@H]2Br 100082606 PHHURESSVHMUKY-SHUKQUCYSA-N 371.194 1.299 50 40 FDGB O=C(CN1CCN(Cc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1 23162433 ISIIDUNXMDYNGR-UHFFFAOYSA-N 370.428 1.405 50 40 FDGB O=C1[C@@H](Cl)[C@@H](N2CCOCC2)C(=O)C(Cl)(Cl)C1(Cl)Cl 23230712 BKDGUUUHJSSMQN-NTSWFWBYSA-N 369.459 1.794 50 40 FDGB COc1ccc(CC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1OC 829222 QLJYRPQAFIUBEL-UHFFFAOYSA-N 368.386 1.395 50 40 FDGB CN(C)c1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cn1 28896736 IPAQTEWMYUCAON-UHFFFAOYSA-N 352.192 1.313 50 40 FDGB CC1=CC(=O)/C(=C(/C)NNC(=O)COc2ccc(Cl)cc2)C(=O)O1 137413925 DVUYRQKYACGBJR-XNTDXEJSSA-N 350.758 1.643 50 40 FDGB COC1=C[C@@]2([N+](=O)[O-])CN(CCBr)C[C@]([N+](=O)[O-])(C1)C2 100095393 OHHBZSHUJCYYTJ-QWRGUYRKSA-N 350.169 1.052 50 40 FDGB CN(CC(=O)N/N=C/c1ccc(O)cc1)S(=O)(=O)c1ccc(F)cc1 6544438 YDWYSQJUQICVKS-VCHYOVAHSA-N 365.386 1.302 50 40 FDGB CN1CCN(c2ccc(/C=N/NC(=O)c3cccnc3)cc2[N+](=O)[O-])CC1 10004131 NEKMLEZECSAJBA-UDWIEESQSA-N 368.397 1.506 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)c2[nH]ncc2Br)c1 1413559 OZLVPDRQEMUIBD-GIDUJCDVSA-N 353.176 1.953 50 40 FDGB Cc1nc(C)c(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 3203506 KEQDSTUCJIZMNR-UHFFFAOYSA-N 356.385 1.291 50 40 FDGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1C 102201825 ILDDOMJAFVZHTL-WAXYHTEFSA-N 372.421 1.741 50 40 FDGB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1ccncc1 2747874 XMYXTRVKEBROMK-ZVBGSRNCSA-N 367.434 1.882 50 40 FDGB CCCCCCC(=O)NN/C=C1\C(=O)N=C(S)N(CCCC)C1=O 9331719 BYASYLARAQXWIQ-VAWYXSNFSA-N 354.476 1.916 50 40 FDGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1 2355102 OCRBRHQROFJUNC-OAHLLOKOSA-N 351.362 1.699 50 40 FDGB COc1ccc(C(=O)NNC(=O)COCC(=O)Nc2ccc(C)cc2)cc1 4700386 HLSZHALAYFHHHR-UHFFFAOYSA-N 371.393 1.420 50 40 FDGB O=C(Cn1ncc2ccccc2c1=O)NNC(=O)Nc1ccc(F)cc1 4744618 LVDRCIBAGUCERO-UHFFFAOYSA-N 355.329 1.389 50 40 FDGB Cc1cc(C(=O)NNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)o1 6542454 NPPJHFCVAZFTFK-UHFFFAOYSA-N 373.453 1.990 50 40 FDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cncn1-c1ccccc1 21782622 RRIPHQBZBSTNIV-KRWDZBQOSA-N 364.361 1.473 50 40 FDGB COc1ccc(C(=O)N/N=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)cc1 104813238 LENVAORZSARGPY-OBGWFSINSA-N 354.322 1.714 50 40 FDGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OC 5024186 UELBWGYDTOJCCL-INIZCTEOSA-N 369.377 1.927 50 40 FDGB Cc1cc(NCCSSCCNc2cc(C)nc(N)n2)nc(N)n1 4784919 LJVURSQAGBXABZ-UHFFFAOYSA-N 366.520 1.953 50 40 FDGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccccc2C(=O)O)cc1 223160543 LAZFWECTPQHNHO-GRSHGNNSSA-N 369.333 1.260 50 40 FDGB Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 575426338 RFNQKMDWFCXTHJ-VHSXEESVSA-N 358.268 1.331 50 40 FDGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c1O 13564115 GKLIPLBJOGUXHG-VHXYRJIDSA-N 373.321 1.599 50 40 FDGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 664271 ZBYZNEHXVYKERD-AWEZNQCLSA-N 354.318 1.137 50 40 FDGB CC(C)CN(C(=O)CCl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3337441 UAMHQNSZPGCHTN-UHFFFAOYSA-N 364.833 1.395 50 40 FDGB O=C(Cc1ccc(F)cc1)NNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 28424568 BAJXVDDTESYPKL-CQSZACIVSA-N 373.384 1.661 50 40 FDGB COc1cccc(N(CC(=O)NN=C2CCCCC2)S(C)(=O)=O)c1 408781087 RJWYBZNGYYFADS-UHFFFAOYSA-N 353.444 1.898 50 40 FDGB Cc1c(C(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc(N)c1C#N 16249599 NQSDFQPDDORKJC-DVZOWYKESA-N 373.350 1.911 50 40 FDGB CCCn1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3N2C)n[nH]c1=O 105077797 ZWZBMWCWBNOJDV-PTNGSMBKSA-N 370.438 1.940 50 40 FDGB CCOC(=O)/C(C=O)=C/c1cc(/C=C(\C=O)C(=O)OCC)c(N)cc1N 3845547 ZBIGQYYJFKGUDJ-AANLELRNSA-N 360.366 1.142 50 40 FDGB CCCc1c(C(=O)N/N=C/c2ccc(F)cc2)nnn1-c1nonc1N 2453158 SCYOHRNGZMZYQH-QGMBQPNBSA-N 358.337 1.088 50 40 FDGB CCOC(=O)C(=O)NCc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)o1 408834155 VFCAUVFNCKXFTL-RAXLEYEMSA-N 373.409 1.815 50 40 FDGB COc1ccc(/C=N/NC(=O)c2nc3ccccc3c(=O)[nH]2)cc1OC 4423493 SLFBHBAKTLZFCQ-VXLYETTFSA-N 352.350 1.704 50 40 FDGB CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1C 14185499 BUCRICACFYERHP-UHFFFAOYSA-N 373.365 1.612 50 40 FDGB COC(=O)COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1 408867366 LUYWNIRDNQQLKW-VCHYOVAHSA-N 357.322 1.911 50 40 FDGB Cn1cc(Br)cc1C(=O)NNC(=O)COc1ccccc1O 9996196 OSNMDISSZBHGEK-UHFFFAOYSA-N 368.187 1.333 50 40 FDGB COc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc2c(c1)OCO2 1952867 LBUAXYZDSZAGDP-AWQFTUOYSA-N 355.350 1.304 50 40 FDGB CCCc1c(C(=O)N/N=C/c2cccc(Cl)c2)nnn1-c1nonc1N 2446432 QRBJVTYSCXMYRT-QGMBQPNBSA-N 374.792 1.602 50 40 FDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1 5408711 FZCZSLFFOZIVBY-QRWLVFNGSA-N 356.389 1.148 50 40 FDGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(O)c([N+](=O)[O-])c1 408568929 XMWPDZYSGWLEJM-PXNMLYILSA-N 360.282 1.981 50 40 FDGB COc1cccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)c1 408781975 FRQWMIQZLJCFJY-MHWRWJLKSA-N 351.384 1.205 50 40 FDGB O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc2c(c1)OCO2 30791459 ZNRQDPSNGNIKEW-KBIBBBEJSA-N 351.362 1.395 50 40 FDGB CC1(C)[C@H](O)[C@]2(Br)CC[C@]1(CC(N)=O)[C@@H]2Br 103708689 ZKWIBPNRADGAEX-UUTMEEIUSA-N 355.070 1.940 50 40 FDGB COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(NC(C)=O)cc2)C1=O 9422457 MRRDONYETUDKDJ-BOPFTXTBSA-N 368.393 1.796 50 40 FDGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CSc2ccccn2)c1O 8629496 ACJWIASIYBEPTR-CAOOACKPSA-N 362.367 1.946 50 40 FDGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 409254523 DRPPHJMAFFJCCO-MQMKENTISA-N 374.441 1.053 50 40 FDGB COc1c(O)ccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] 13596560 JXUZXWITVHQLAM-NAQJVLLRSA-N 373.321 1.599 50 40 FDGB O=C(NN/C=C1\C(=O)N(C2CCCCC2)C(=O)N=C1O)c1ccccc1O 1823038 FGFMNDGGDHYLKQ-RAXLEYEMSA-N 372.381 1.762 50 40 FDGB CC(C)CC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)CC(C)C)cc1 102826423 YHOSUXRPFWQMLS-UHFFFAOYSA-N 362.430 1.301 50 40 FDGB O=C(CCC(=O)NNC(=O)COc1ccccc1)NCc1ccccc1 4600119 QSSHQILVVNWBBU-UHFFFAOYSA-N 355.394 1.309 50 40 FDGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccccc12 4769929 KAGXDYXHRHQYMK-QGZVFWFLSA-N 359.769 1.657 50 40 FDGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)C(=O)NCC(C)C 5284550 STFJMUZVPOHHAO-FYJGNVAPSA-N 361.446 1.346 50 40 FDGB COc1ccc(O)c(C(=O)O[C@@H](C)C(=O)NNC(=O)c2ccccc2)c1 20078840 GMXLMWYBFBNEAZ-NSHDSACASA-N 358.350 1.407 50 40 FDGB COc1ccccc1C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 869524 HSIMTBYBDXPBFS-UHFFFAOYSA-N 351.340 1.227 50 40 FDGB Cc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1C 20208656 DTTYQXFPFABNNA-YBFXNURJSA-N 360.439 1.615 50 40 FDGB O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cccc([N+](=O)[O-])c1 408721905 MSIGOTDRQFTSJZ-UHFFFAOYSA-N 362.321 1.117 50 40 FDGB COC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)CC(=O)N1 36018901 ZJMGUIKRCCRXQL-SECBINFHSA-N 363.351 1.545 50 40 FDGB Nc1ccccc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 408995853 BPVNTKYBSWYSBS-UDWIEESQSA-N 369.381 1.778 50 40 FDGB O=C(O)COc1ccccc1/C=N/NC(=O)[C@H]1COc2ccccc2O1 1057792 UKQUXWNJFCQZSS-LEKRSAHOSA-N 356.334 1.440 50 40 FDGB CCn1nc(C(=O)N/N=C/c2ccccc2C(=O)O)c2ccccc2c1=O 6509308 VFCRJLQQLRGDJC-RGVLZGJSSA-N 364.361 1.879 50 40 FDGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccncc2)c(C)c1 6607458 LYSZQRUOASZDQM-VXLYETTFSA-N 360.439 1.435 50 40 FDGB C/C(CC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)NN 102921198 DJDRBVCVWHZNKN-LSFURLLWSA-N 373.335 1.932 50 40 FDGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(Br)s1 15899888 LYEDJPSTOXURIJ-SSDOTTSWSA-N 364.290 1.799 50 40 FDGB CCOC(=O)COc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 8569126 ZMKPNWHNUZOANO-INIZCTEOSA-N 354.366 1.878 50 40 FDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OC)cc2)c1C#N 13282377 YTUSGYYFBJXLCL-UFFVCSGVSA-N 368.393 1.946 50 40 FDGB O=C(COC(=O)c1cc2c(s1)CCC2)NNC(=O)c1ccc(F)cc1 8427855 YGWLHBOLHGNURW-UHFFFAOYSA-N 362.382 1.994 50 40 FDGB CCc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)cc1 409028253 KKKNOZINCHTEEE-UHFFFAOYSA-N 366.487 1.213 50 40 FDGB COC(=O)c1cccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n1 95950238 UYBDIKYYIQZHGM-UHFFFAOYSA-N 357.410 1.846 50 40 FDGB C[C@@H](O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 409000384 XZUIJQABUWTEKO-HMASQMOLSA-N 359.357 1.674 50 40 FDGB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NN)c(Cl)c2)cc1 408585216 XSKILPVZEZTLQD-UHFFFAOYSA-N 369.830 1.818 50 40 FDGB O=C(CSc1nnc2ccccn12)NNC(=O)c1ccc(Cl)cc1 2620357 BGSJJQKYUPXDRG-UHFFFAOYSA-N 361.814 1.936 50 40 FDGB COCCNC(=O)C/C(C)=N/NC(=O)COc1ccc2ccccc2c1 100376238 LMPODKCGBFXBPD-KGENOOAVSA-N 357.410 1.863 50 40 FDGB C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)C(=O)N1CCCC1 100059525 AOBVELSJBKJICF-WSDLNYQXSA-N 374.485 1.432 50 40 FDGB O=C(NC(=S)NNC(=O)c1ccco1)c1ccc(Br)cc1 2316656 XENIXRYNSKYFDO-UHFFFAOYSA-N 368.212 1.991 50 40 FDGB O=C(NNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1 12941986 QCDUEZNEBZKYLR-UHFFFAOYSA-N 359.407 1.202 50 40 FDGB CCCCC(=O)NN/C(C)=C1/C(=O)N=C(O)N(C2CCCCC2)C1=O 9013034 OHTROOWUTSHIBL-KAMYIIQDSA-N 350.419 1.687 50 40 FDGB CC(C)=NNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 408776615 XHLPTQHZVLSWEW-UHFFFAOYSA-N 351.350 1.983 50 40 FDGB CCc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)o1 7604922 PWAUKTGAGLCCPV-UHFFFAOYSA-N 370.818 1.604 50 40 FDGB CC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 36185502 QATWBVVHTHFBLX-KRWDZBQOSA-N 355.394 1.691 50 40 FDGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccs2)CC1 58883809 KAVBZZBKODIVOF-CPNJWEJPSA-N 372.450 1.556 50 40 FDGB CCc1ccc(C(=O)NNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 12903199 VPEJVLPGYRYVMK-UHFFFAOYSA-N 364.405 1.879 50 40 FDGB CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 408608572 HQXXCLWVDLJPCZ-CIAFOILYSA-N 355.394 1.860 50 40 FDGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc3c(c2)n(C)c(=O)n3C)c1 6158835 PHJHNKIDFZENJX-RGVLZGJSSA-N 365.393 1.599 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 19954133 NCWACNWDEMEIFQ-CPNJWEJPSA-N 374.466 1.669 50 40 FDGB COc1cc(/C=N/Nc2nncn2N)ccc1N(CCCl)CCCl 4826269 MBHSKEIDLLUTET-GIJQJNRQSA-N 372.260 1.731 50 40 FDGB Nc1nonc1C(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 109623163 WYEAIOKRFYGBCF-YIXHJXPBSA-N 355.108 1.086 50 40 FDGB O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1ccc(Cl)nc1 12803078 DDAKYOFBRGVJHA-UHFFFAOYSA-N 367.818 1.103 50 40 FDGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNC(=O)c1cccc(F)c1 3081707 ZZYHEWDRAJIITC-AWQFTUOYSA-N 374.328 1.623 50 40 FDGB CCCn1nc(C(=O)NNC(=O)Cc2ccccc2)c2ccccc2c1=O 6258535 LJCFREAFBMHQDE-UHFFFAOYSA-N 364.405 1.810 50 40 FDGB CCc1n[nH]c2c1[C@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9411272 FRQZTRNRVUYVMW-MRXNPFEDSA-N 352.310 1.205 50 40 FDGB O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccccc1 18193277 YBADUVUOTGSTSA-HIPSJFSSSA-N 366.402 1.466 50 40 FDGB O=C(NNC(=O)[C@@H](C1CC1)N1CCCC1)c1cc(-c2ccccc2)on1 95940186 UDSHQWMCXBVWGM-QGZVFWFLSA-N 354.410 1.977 50 40 FDGB CC1(C)[C@H](O)[C@@]2(Br)CC[C@@]1(CC(N)=O)[C@H]2Br 242750299 ZKWIBPNRADGAEX-JZSSXWJLSA-N 355.070 1.940 50 40 FDGB Cc1c(/C=N/NC(=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C 1511261 CBICRZIRWSPYNP-UDWIEESQSA-N 350.378 1.954 50 40 FDGB Cc1ccc(CC(=O)NNC(=O)CN2C(=O)COc3ccccc32)cc1 12849842 OKHNRGFZNSQDSL-UHFFFAOYSA-N 353.378 1.111 50 40 FDGB Cc1occc1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 13001415 QVXNETFAGIGDDN-UHFFFAOYSA-N 354.366 1.954 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1ccccc1F 408784046 QURODYIESNCPAM-VXLYETTFSA-N 367.377 1.881 50 40 FDGB C[C@H]1C(=O)NN=C1C(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 102944655 WBILXTCCANAPOU-SVXRXWARSA-N 354.322 1.071 50 40 FDGB CCN(NC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 9113285 CDJGPXXFMNQBNW-UHFFFAOYSA-N 372.450 1.591 50 40 FDGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCC(=O)O 59334958 PZZCZQSJGXJVIC-YHYXMXQVSA-N 353.172 1.908 50 40 FDGB Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccccc1O 13028011 PSYMHXGISPYXSB-UHFFFAOYSA-N 350.352 1.022 50 40 FDGB O=C(N/N=C/c1cccnc1)c1ccc(C(=O)N/N=C/c2cccnc2)o1 6333701 VTJLBTCEYCQWNU-XHQRYOPUSA-N 362.349 1.597 50 40 FDGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1C 8745786 BAQSRJNLDYMHGN-UHFFFAOYSA-N 357.366 1.680 50 40 FDGB C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@H](O)c1ccccc1 409356306 GMDOMLPYEFNXRN-MIQLPHMESA-N 353.334 1.791 50 40 FDGB O=C(NNC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccc(F)cc1 24754018 RHVXPEXSNQCRGU-UHFFFAOYSA-N 355.325 1.554 50 40 FDGB O=C(CCC(=O)OCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1 7939967 SUQCDFNBVPJNFA-UHFFFAOYSA-N 369.377 1.410 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1cccc(Cl)c1 20209433 MRGCBFBEMQRQBB-VCHYOVAHSA-N 366.830 1.651 50 40 FDGB NC(=O)N/N=C/c1sc(=O)n(Cc2cccc(C(=O)O)c2)c1Cl 2349152 DAYQFLYJPUHGGM-FZSIALSZSA-N 354.775 1.312 50 40 FDGB C[C@H](O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 59960643 SZQKOFPWOIZCCI-GSVUAOJBSA-N 369.421 1.774 50 40 FDGB N#C/C(=C\c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)C(N)=O 408760999 BNTCNFXDUBSMLU-KPKJPENVSA-N 373.346 1.755 50 40 FDGB COc1ccc(CC(=O)N2C[C@H](C(=O)NN)Oc3ccccc32)cc1OC 225329139 DUELNLNNQHVADQ-QGZVFWFLSA-N 371.393 1.030 50 40 FDGB CCn1cc(Br)c(C(=O)N/N=C/c2c(C)nn(C)c2F)n1 252507015 WFCYQYJHGQMTLL-PJQLUOCWSA-N 357.187 1.610 50 40 FDGB COc1cccc([C@@H]2[C@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 808787 MBCQANQVBIAVQP-RBUKOAKNSA-N 373.416 1.967 50 40 FDGB Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccccn2)c(C)c1 6607433 IFFRCSBYPBRCEX-VXLYETTFSA-N 360.439 1.435 50 40 FDGB O=C(CCc1ccccc1)NNC(=O)c1csc(N2CCOCC2)n1 9366130 MSFQGTRPIZEFRP-UHFFFAOYSA-N 360.439 1.374 50 40 FDGB COc1ccccc1N1C[C@H](C(=O)NNC(=O)c2ccccc2O)CC1=O 14169529 OSNLDZYVHDEPHU-GFCCVEGCSA-N 369.377 1.215 50 40 FDGB O=Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 5405394 BHTGQLHICKHSQV-UHFFFAOYSA-N 371.305 1.025 50 40 FDGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21 5679430 GZLZONHJWOFFGA-QJOMJCCJSA-N 368.368 1.443 50 40 FDGB O=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccccc1-n1cccc1 8728228 MMMNHWFLAVOTEW-UHFFFAOYSA-N 368.437 1.935 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(OC)c1 5513317 PWTOZYGNTXYKKM-VCHYOVAHSA-N 372.337 1.701 50 40 FDGB CCCCC(=O)NN/C(CC)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 5025681 MMWUXWZVFVKKNO-FYWRMAATSA-N 364.446 1.873 50 40 FDGB Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1 2064453 BVKOKRQRULRUKE-UHFFFAOYSA-N 358.379 1.853 50 40 FDGB aggregator O=C(NNC(=O)c1cncn1-c1ccccc1)c1cc(=O)[nH]c2ccccc12 12535642 QVRWWZZYQBPWDP-UHFFFAOYSA-N 373.372 1.789 50 40 FDGB N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@@H]1c1ccccc1 6496140 MGXLHIMPYZBBFN-CQSZACIVSA-N 357.435 1.617 50 40 FDGB NNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 6883368 JDCWUAFZGNSZPW-UHFFFAOYSA-N 355.803 1.510 50 40 FDGB COc1ccc(Br)cc1/C=N/NC(=O)CCN1CCOCC1 26465289 OYZAATWCTAXEQD-GZTJUZNOSA-N 370.247 1.630 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccc(Cl)nc1 84372108 XGTKTBPTBQMBKU-ZDUSSCGKSA-N 362.748 1.828 50 40 FDGB CCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OO 167794082 NZYXYIRVZSKNAS-CYBMUJFWSA-O 372.375 1.808 50 40 FDGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 5530398 GSZWSSMONJPEIX-ZROIWOOFSA-N 358.423 1.395 50 40 FDGB COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(Br)c1O 3902324 INFNRSCMMWAQJU-GIDUJCDVSA-N 353.176 1.959 50 40 FDGB CC(=O)C1=NO[C@@H](C(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)C1 5480852 ARYPMIXWEPZSMT-SNVBAGLBSA-N 364.711 1.955 50 40 FDGB O=C1N=C(O)N(c2ccccc2F)C(=O)/C1=C/NNC(=O)c1ccccc1 4812581 MKPGGRMKBWUCMA-ZRDIBKRKSA-N 368.324 1.431 50 40 FDGB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NNC(=O)c1cccs1 9500537 FNFGTENXMBVLNQ-GBIKHYSHSA-N 368.484 1.235 50 40 FDGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@@H]1CCC(=O)N1 70695192 KDJVAGXGWDDAOB-HNNXBMFYSA-N 353.378 1.158 50 40 FDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1OC 409184928 YWQYPAZPAXSHFY-LPYMAVHISA-N 368.393 1.422 50 40 FDGB O=C(CSc1nnc(-c2cccnc2)o1)NNC(=O)c1ccccc1 5213861 HZPCJUYVPKUXGL-UHFFFAOYSA-N 355.379 1.685 50 40 FDGB C/C=C/C=C/C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 8433669 NWESWQGZVIMNPJ-MQQKCMAXSA-N 367.199 1.886 50 40 FDGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1OC 1255431 DCDFOMMVBREIBL-AWEZNQCLSA-N 360.366 1.967 50 40 FDGB C=CCN1C(=O)NC(=O)/C(=C(/C)NNC(=O)c2ccccc2Cl)C1=O 9332916 KMHQYSIGJRNMKL-FMIVXFBMSA-N 362.773 1.113 50 40 FDGB O=C1[C@H](N2CCOCC2)[C@@H](Cl)C(=O)C(Cl)(Cl)C1(Cl)Cl 23230710 BKDGUUUHJSSMQN-PHDIDXHHSA-N 369.459 1.794 50 40 FDGB O=C(Cn1ccc(=O)[nH]c1=O)NN(Cc1ccccc1)c1ccccc1 32255927 XOJQEKHAPBKGEB-UHFFFAOYSA-N 350.378 1.275 50 40 FDGB COc1cccc(C(=O)NNC(=O)C(=O)Nc2cc(C)ccc2OC)c1 4838925 URCUDSNZLMNJFU-UHFFFAOYSA-N 357.366 1.412 50 40 FDGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(Br)c1 59333925 YHHBYMANCHWCOG-YHYXMXQVSA-N 353.172 1.908 50 40 FDGB COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1O 2338811 YMGZCMFRFLEGFW-ARFNDINWSA-N 358.350 1.700 50 40 FDGB O=C(CO)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 59566562 ULTOJKCRELVFRF-DJKKODMXSA-N 361.785 1.800 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCc1ccccc1 408611468 RAMXXMWSCPCEHI-CIAFOILYSA-N 355.394 1.860 50 40 FDGB CCOc1ccc(S(=O)(=O)NNC(=O)c2sc(C)nc2C)cc1 224138246 ATIVBNIHZYKASC-UHFFFAOYSA-N 355.441 1.782 50 40 FDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccccc2OC)c1C#N 1501997 VAZLNGHAIPKCCZ-UFFVCSGVSA-N 368.393 1.946 50 40 FDGB CC1(C)OC(=O)C([C@@H](c2ccccc2)[C@H](C#N)C(N)=C(C#N)C#N)C(=O)O1 20405782 NRKBYWIPFTXZSX-KBPBESRZSA-N 364.361 1.622 50 40 FDGB C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 3293826 DFLSTQQBFSUWGF-JTQLQIEISA-N 371.780 1.786 50 40 FDGB CCn1nc(C(=O)NNC(=O)c2sccc2C)c2ccccc2c1=O 12683103 UZWBCWSARPRCGJ-UHFFFAOYSA-N 356.407 1.861 50 40 FDGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)NC(N)=O 409221856 VLCBHXHPSFONDN-XFSBKJJWSA-N 358.137 1.559 50 40 FDGB CN(C)CC(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 95942590 WGQOLIIKTYGLIV-UHFFFAOYSA-N 370.335 1.605 50 40 FDGB COc1ccc([C@H](CC(=O)NNC(=O)c2ccncc2)NC(C)=O)cc1 9952011 FPLJBOUSOGRZFE-INIZCTEOSA-N 356.382 1.119 50 40 FDGB O=C(C[C@@H]1Sc2ccccc2NC1=O)NNc1ccc([N+](=O)[O-])cn1 20031607 OSJHGQFTHUADNT-LBPRGKRZSA-N 359.367 1.936 50 40 FDGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccccn2)cc1OC 59516120 XBGXXXURQYBBCQ-LPYMAVHISA-N 370.409 1.298 50 40 FDGB COC(=O)Cc1n[nH]c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 6786782 XZENWJRFWFDNEX-HNNXBMFYSA-N 370.365 1.361 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)CCc2nnc(-c3ccccc3)o2)n1 9954813 RYONMNXQSKFBNL-UHFFFAOYSA-N 368.397 1.330 50 40 FDGB CC(C)Oc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)C2CCCC2)cc1 40142929 FFBZLPPPBLEAAH-ZDUSSCGKSA-N 361.442 1.930 50 40 FDGB O=C(NNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc2c(c1)OCCO2 8216325 VFWHKBDFERGVQU-UHFFFAOYSA-N 365.345 1.374 50 40 FDGB NC(=O)Cn1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 107824842 BQUIPMXPDQNOBI-AWQFTUOYSA-N 365.349 1.799 50 40 FDGB O=C(NNC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccnc1 13006358 MKBNHKAYYNPQKF-UHFFFAOYSA-N 358.423 1.457 50 40 FDGB O=C(COC(=O)c1ccc(Br)cc1)NNC(=O)c1ccco1 5717384 LRSQJQNMMRTFCS-UHFFFAOYSA-N 367.155 1.660 50 40 FDGB C/C(=N\NC(=O)C(N)=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 5889841 CPQGVKDWHTVOOE-UFFVCSGVSA-N 358.785 1.918 50 40 FDGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 15900030 MFMVVTHBIVLDOU-NSHDSACASA-N 363.361 1.873 50 40 FDGB COc1ccccc1N(CC(=O)N/N=C/c1cccnc1)S(C)(=O)=O 408908613 WQXNDNXRKCBHTI-WOJGMQOQSA-N 362.411 1.007 50 40 FDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1Cl 12973483 ZDMFTPXUBCQHEH-SSDOTTSWSA-N 351.211 1.189 50 40 FDGB O=C(CCl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 3885236 IPBSJPNBBDIMHY-UHFFFAOYSA-N 353.227 1.538 50 40 FDGB Cc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(N)=O)cc3)nc2s1 20331887 NJHULUQHNRKOBM-WUXMJOGZSA-N 367.390 1.431 50 40 FDGB O=C(O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2ccc(O)cc2)c1 226860613 LEFSIEHKNZNPJM-UHFFFAOYSA-N 370.770 1.367 50 40 FDGB CCn1cc(Br)c(C(=O)N/N=C/c2cnn(CC)c2F)n1 252490923 LFALLXXCCLJCKL-PJQLUOCWSA-N 357.187 1.785 50 40 FDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@H]2CC[C@H]1C2 101309843 DSLNZSKLJWYIQW-UJHAGLLESA-N 362.904 1.511 50 40 FDGB COc1cc(C(=O)NNC(=O)COc2ccccc2)cc(OC)c1OC 3621287 ZZDATBQSKIBSHS-UHFFFAOYSA-N 360.366 1.552 50 40 FDGB O=S1(=O)C[C@H](Cl)[C@H](NC(=S)Nc2nc3ccccc3s2)C1 575422178 AETUQGRQZPQPRE-IONNQARKSA-N 361.901 1.987 50 40 FDGB O=C(CN1CCc2ccccc2C1)NNC(=O)[C@@H]1COc2ccccc2O1 32819257 ALLWRVAZUDIVOB-SFHVURJKSA-N 367.405 1.032 50 40 FDGB Cn1cc(C(=O)NNC(=O)NCC(C)(C)N2CCOCC2)c2ccccc21 54040317 ORZNISYVUGNYCX-UHFFFAOYSA-N 373.457 1.233 50 40 FDGB CCO/C=N/C1=C(C#N)[C@@H](c2cnn(C)c2)c2c(nn(C(C)=O)c2C)O1 36613068 YPCIAWBCPNYUSI-VTNJTDAWSA-N 354.370 1.909 50 40 FDGB O=C(/C=C/c1cccs1)NNC(=O)c1csc(N2CCOCC2)n1 21343155 OTBUHNAHMQGWKM-ONEGZZNKSA-N 364.452 1.516 50 40 FDGB COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 2135494 GDUDCPKSCJCWHS-UHFFFAOYSA-N 374.378 1.553 50 40 FDGB CCc1[nH]c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(C)c1C(=O)OC 12875582 LOYMCRNIBOIPQA-UHFFFAOYSA-N 373.365 1.476 50 40 FDGB O=C(CSc1nnc2ccccn12)NNC(=O)c1cccc(Cl)c1 8342974 WUAPCHOXUCRYDN-UHFFFAOYSA-N 361.814 1.936 50 40 FDGB NC(=O)NCCCC(=O)NNC(=O)c1ccc(COc2ccccc2)cc1 8316012 JVSMBROELZRTNB-UHFFFAOYSA-N 370.409 1.475 50 40 FDGB CC(C)n1nc(C(=O)NNC(=O)c2cccnc2)c2ccccc2c1=O 17196701 OCUPEEBMLAXDNY-UHFFFAOYSA-N 351.366 1.447 50 40 FDGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)[C@@H](O)c1ccccc1 18137130 XKGIMRVGIRCHJY-YFGIWCPESA-N 350.378 1.861 50 40 FDGB CCOC(=O)N1CCN(/C=C(\C#N)C(=O)NCCc2ccccc2)CC1 30791190 OXCNNRPTBBZKGA-BMRADRMJSA-N 356.426 1.527 50 40 FDGB CCOc1cccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3)C2=O)c1 710601 NXWVOCRQZTZDMV-MRXNPFEDSA-N 353.378 1.652 50 40 FDGB N#CC1(C#N)[C@@H](c2ccccc2)[C@H](Br)[C@]2(O)C[C@]1(C#N)C(=O)N2 100721801 RZIYULXBHNHLCK-LMRQPLJMSA-N 371.194 1.299 50 40 FDGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c1 107961054 HLKUCPIARBBSBT-VXLYETTFSA-N 355.350 1.872 50 40 FDGB CN1C(=O)/C(=N/NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 4721360 WOYURJKQYGAVFD-ZAHQYNLSSA-N 362.389 1.013 50 40 FDGB Cn1cc(Br)c(C(=O)N/N=C/c2ccc3c(c2)OCO3)n1 1089000 CWXAACLUMCQSOQ-PJQLUOCWSA-N 351.160 1.675 50 40 FDGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)c3ccccc3)ccc12 2634104 NTBHNUNKGMDAJT-UHFFFAOYSA-N 352.346 1.941 50 40 FDGB IC[C@@H]1COC[C@H](CI)O1 4722382 UYISQIRJYDOWOR-OLQVQODUSA-N 367.952 1.640 50 40 FDGB CCCCC(=O)NN/C=C1\C(=O)N(C)C(=S)N(c2ccccc2)C1=O 4812273 MLBVAWROKVSHAV-ACCUITESSA-N 360.439 1.471 50 40 FDGB COc1cc(CN(C)[C@H](C)C(=O)NNC(C)=O)c(SC)cc1OC 95468878 UATSXYXIYZQZIR-SNVBAGLBSA-N 355.460 1.413 50 40 FDGB O=C(COc1ccccc1F)NNS(=O)(=O)c1ccc(Cl)s1 7517555 WRRNRBJWAIPPMN-UHFFFAOYSA-N 364.807 1.929 50 40 FDGB C=CCOc1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1OC 408978191 LARUNPBJHJQGOV-NTEUORMPSA-N 365.393 1.967 50 40 FDGB C=CCNC(=S)NNC(=O)[C@@]1(C)CC1(Br)Br 4907214 HEBLFRUXFFZHPI-MRVPVSSYSA-N 371.098 1.564 50 40 FDGB Cc1ccc(CN2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 101302080 PUWCSLRHQXVAAV-BREGNPSQSA-N 372.899 1.831 50 40 FDGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1cnccn1 100561085 WKRZPBLOJCUAQG-SRZZPIQSSA-N 355.354 1.382 50 40 FDGB O=C(N/N=C/c1cccnc1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1089022 LDUJEDUUKDFBHL-YBFXNURJSA-N 350.338 1.999 50 40 FDGB O=C(COc1ccc(F)cc1)NNC(=O)Cn1ccc(C(F)(F)F)n1 7652453 ANWDIRACQZZRLU-UHFFFAOYSA-N 360.267 1.267 50 40 FDGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1cccc2ccccc12 409370039 JWJHCGGQRYGBQO-ASKKUZCQSA-N 366.373 1.645 50 40 FDGB COc1ccccc1NC(=O)NNC(=O)CN1C(=O)COc2ccccc21 15935399 CXMXCOJQKCFFRJ-UHFFFAOYSA-N 370.365 1.274 50 40 FDGB CCOC(=O)N1CCN(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)CC1 12416247 IGSUHMXLMVVELH-BUHFOSPRSA-N 358.398 1.815 50 40 FDGB O=C1NC(=S)NC(=O)C1=Cc1ccc(N(CCCl)CCCl)cc1 868350 QZMINHARSAZTFO-UHFFFAOYSA-N 372.277 1.885 50 40 FDGB Cc1ccccc1N1/C(=N\C(=O)CCl)S[C@@H]2CS(=O)(=O)C[C@@H]21 101312175 NCHLRSBREKEERR-NZQCTYEBSA-N 358.872 1.835 50 40 FDGB Cc1ccc(C(=O)NNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 13006169 DEPPXRCMOPYRMS-UHFFFAOYSA-N 366.337 1.559 50 40 FDGB O=C(NNC(=O)c1cnc2ccccc2n1)c1ccc2c(c1)OCCO2 9254802 SBUICLDSBQKNPM-UHFFFAOYSA-N 350.334 1.476 50 40 FDGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Br)o1 14171059 LLXJQMPDBJHBKH-NSHDSACASA-N 367.155 1.643 50 40 FDGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1 408861800 DDCJPMCZVLFLJS-VCHYOVAHSA-N 357.322 1.911 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1ccccc1F 408771009 DDSFVUNTTVCYCB-VXLYETTFSA-N 367.377 1.881 50 40 FDGB CC1(C)OC(=O)C2=C1NC(N)=C(C#N)[C@]21C(=O)Nc2c(Cl)cccc21 79496760 FTYRIBQTSGFRRX-KRWDZBQOSA-N 356.769 1.416 50 40 FDGB O=C(CNC(=O)Nc1n[nH]c(=S)s1)N/N=C/c1ccccc1O 17123674 ZEKGJAFJXRKMDF-LHHJGKSTSA-N 352.401 1.178 50 40 FDGB C=CCOc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c1 5480631 XXIHGGKXCCLMMZ-CPNJWEJPSA-N 373.434 1.680 50 40 FDGB Cc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)s1 3447316 BXUVYJDFDBLUGG-UHFFFAOYSA-N 372.859 1.818 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 6858142 FEEMNGRTMYCOCE-FYJGNVAPSA-N 355.394 1.478 50 40 FDGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1F 7428901 ILGLSTLOGDTNJH-UHFFFAOYSA-N 366.370 1.610 50 40 FDGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 408907067 LLROJMZGTRAQFL-XWAFYUISSA-N 374.353 1.995 50 40 FDGB COc1ccc2c(CC(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)coc2c1 8939289 GKGWPBGPRFQTGP-ZDUSSCGKSA-N 366.439 1.476 50 40 FDGB CC1(C)OC(=O)C(=CNNC(=O)c2cccc(Br)c2)C(=O)O1 5482271 YCRBWUUBYSCCDP-UHFFFAOYSA-N 369.171 1.404 50 40 FDGB N#C[C@@H](/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1N 100643961 DGRNUFABMULPIR-ATQAJOFPSA-N 367.325 1.614 50 40 FDGB Cc1csc(CC(=O)NNC(=O)CN(C)Cc2ccc(F)c(F)c2)n1 32760742 QQPBQYQJBIJDFZ-UHFFFAOYSA-N 368.409 1.552 50 40 FDGB COc1ccc(CC(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1 1794700 VNBKSJJYRMGJFH-UHFFFAOYSA-N 369.421 1.482 50 40 FDGB C=CCNC(=O)/C(C#N)=C/c1c(N2CCCCC2)nc2ccccn2c1=O 2206661 BIBHWUDHBGHASZ-FYWRMAATSA-N 363.421 1.894 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)c2ccc([S@](C)=O)cc2)cc1C 60750074 RRWKZWOINIEWIL-RUZDIDTESA-N 360.435 1.881 50 40 FDGB C=CCC1([C@H](Br)[C@H](C)Br)C(=O)NC(=O)NC1=O 101342137 CSDYEFNIGZLRSB-NTSWFWBYSA-N 368.025 1.462 50 40 FDGB CCCCC/C(CC[C@H]1NC(=S)NC1=O)=N/NC(=O)c1ccncc1 5523656 QLRTWKYSVLIUCU-SFDYMUJDSA-N 361.471 1.901 50 40 FDGB Cn1ccnc1[C@@](O)(CC(=O)NNC(=O)c1ccccc1)C(F)(F)F 12541353 VLDLLNKQIZMWFG-AWEZNQCLSA-N 356.304 1.021 50 40 FDGB CN(C)c1nc(N)nc(/C(C#N)=C\c2ccc(-n3cccn3)c(F)c2)n1 96947656 IDJAACHYOLYNKW-WQLSENKSSA-N 350.361 1.909 50 40 FDGB CCN1C(=O)CS/C1=N\NC(=O)[C@](O)(c1ccccc1)[C@H]1C=CC=CC1 17248678 AFIORSMYUUEYRN-UXTJHUFZSA-N 371.462 1.989 50 40 FDGB Nc1nnc(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)s1 2252132 HGSIBOXUPUVKGY-QGMBQPNBSA-N 371.378 1.771 50 40 FDGB O=C1CC[C@H](C(=O)NNC(=O)COc2ccccc2-c2ccccc2)CN1 84562859 KAFZTDLTWZORAO-HNNXBMFYSA-N 367.405 1.406 50 40 FDGB CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccc(O)cc3O)cnc2s1 2887963 NRLHDBWOBREYBL-FBCYGCLPSA-N 372.406 1.582 50 40 FDGB C/C(=N\NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 15938514 MNUKQAKKVVFFTD-LDADJPATSA-N 365.353 1.789 50 40 FDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cc1ccccc1 9930912 OHAMLXUAQDZUEX-MRXNPFEDSA-N 372.446 1.473 50 40 FDGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccccc1 408536103 PRKGBWQFACYQGR-YYBSSCGPSA-N 368.393 1.285 50 40 FDGB Cc1c([N+](=O)[O-])cnn1CCC(=O)N/N=C/c1ccn(CC(F)(F)F)n1 252478922 AXIHPBPLKBHRKG-UBKPWBPPSA-N 373.295 1.399 50 40 FDGB Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 3402199 HAPDPIOGNWHOBF-UHFFFAOYSA-N 361.423 1.320 50 40 FDGB COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(O)cc1 2448967 VLHYQBSKPPYAOU-PELKAZGASA-N 357.391 1.532 50 40 FDGB Cn1nc(C(=O)NNC(=O)c2cc3ccccc3[nH]2)c2ccccc2c1=O 12871078 HIFFVPODJUXCTH-UHFFFAOYSA-N 361.361 1.490 50 40 FDGB COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(C)(=O)=O)cc1 20060440 VDTBMGHRQZYWME-SFQUDFHCSA-N 355.460 1.999 50 40 FDGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1 226862504 FGMYNOCCAHKHJC-UHFFFAOYSA-N 353.331 1.666 50 40 FDGB COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)c1ccccc1OC 4838924 KXKLFJIPVZSCKX-UHFFFAOYSA-N 357.366 1.412 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1 7784108 PLCQPWFQZSITTL-CIAFOILYSA-N 369.377 1.248 50 40 FDGB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NNC(=O)c1ccccc1 2301168 JDMLABHHIYYWML-KAMYIIQDSA-N 350.334 1.088 50 40 FDGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1 59515808 UEQOYPFDRPHMSI-HYARGMPZSA-N 369.421 1.868 50 40 FDGB Cc1ccc(NC(=O)COCC(=O)NNC(=O)Cc2ccccc2)cc1 4700183 GBZGVSUZRIGYEQ-UHFFFAOYSA-N 355.394 1.340 50 40 FDGB C#CCN1CCC[C@H]1C(=O)NNC(=O)c1ccc(Br)s1 72269970 IPSQKONDAPCFPO-VIFPVBQESA-N 356.245 1.369 50 40 FDGB COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1O[C@H](C)C(=O)O 409021137 YGHCRHOLTBOLKW-OJLMPMFISA-N 360.366 1.313 50 40 FDGB CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 5025973 YKCOSJFTICXIDT-GXDHUFHOSA-N 358.398 1.581 50 40 FDGB CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 9359279 SNLLNOWQZIZFAU-FMIVXFBMSA-N 364.789 1.618 50 40 FDGB COc1ccc(S(=O)(=O)N(CC(=O)NN)C2CCCCC2)cc1OC 223467267 KBITUKIAFRECGF-UHFFFAOYSA-N 371.459 1.017 50 40 FDGB O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)Oc1ccc(-n2cccc2)cc1 575422966 FCHVZEPMQQLLDF-KGLIPLIRSA-N 354.815 1.970 50 40 FDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(C(=O)O)cc1 43388 PRLZJSXKXMGDBB-VCHYOVAHSA-N 350.338 1.189 50 40 FDGB COCc1n[nH]c2c1[C@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2 4149881 DAUCSHQRCZFXQX-CYBMUJFWSA-N 372.381 1.800 50 40 FDGB Cc1cccc(N2C(=O)N=C(O)/C(=C\NNC(=O)c3ccncc3)C2=O)c1 2279250 VUOFXXQQESIMRW-GXDHUFHOSA-N 365.349 1.632 50 40 FDGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 32743376 PSXQQLLNNWGDHY-DGCLKSJQSA-N 360.863 1.600 50 40 FDGB O=c1c2cc3ccccc3cc2c(=O)n2n1C[C@H](O)[C@H](Br)C2 1872316 DFYPZEXLPPEIDU-KGLIPLIRSA-N 361.195 1.454 50 40 FDGB CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OC)cc2)s1 1958312 RQKXAEDVLRBVQL-LICLKQGHSA-N 361.427 1.978 50 40 FDGB COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 6544502 SGULSBXWEZTWGF-LDADJPATSA-N 361.423 1.466 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)CCNC(=O)Cc2ccccc2)cc1 12735259 KOOMIQYSSNNRLN-UHFFFAOYSA-N 369.421 1.270 50 40 FDGB CN1C(=O)/C(=N\NC(=O)c2ccccn2)c2cc(Br)ccc21 6132332 YYAYUVCBBJHTLJ-AQTBWJFISA-N 359.183 1.955 50 40 FDGB CN1C(=O)C(=CNc2nc3ccc(SC#N)cc3s2)C(=O)N(C)C1=O 408530453 LWMSGTZXIBIWFX-UHFFFAOYSA-N 373.419 2.216 50 40 FDGB O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 36062121 UUDFZIMTJNKKKM-UFWORHAWSA-N 360.301 1.320 50 40 FDGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1OC 3109122 QLIUMONQKDTCBX-DJKKODMXSA-N 371.349 1.521 50 40 FDGB Cc1ccccc1C(=O)NNC(=O)CSc1nc(-c2cccnc2)n[nH]1 4726493 JGWUWBYOELRRTC-UHFFFAOYSA-N 368.422 1.728 50 40 FDGB O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1cccs1 6451668 ZCLXPXGHILRLIB-UHFFFAOYSA-N 372.200 1.295 50 40 FDGB NNC(=O)c1cc(-c2cccs2)nc2nc(N3CCOCC3)sc12 2641153 RVBTXFCKMVCWFL-UHFFFAOYSA-N 361.452 1.860 50 40 FDGB CC[C@@H](C)N1C(=O)/C(=C/NNC(=O)c2ccccc2O)C(O)=NC1=S 5047184 LCPFWZBOJFNRFD-FJUNDMEASA-N 362.411 1.393 50 40 FDGB O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 4313570 JOSZJPJZEWMAJJ-UHFFFAOYSA-N 355.759 1.872 50 40 FDGB COc1ccc(C(=O)N/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)c(O)c1 409392433 PKPADBAHFSBXLR-CAOOACKPSA-N 361.310 1.787 50 40 FDGB Cc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1 34890257 ZLXCADNYOHGGQS-ZHZULCJRSA-N 373.478 1.949 50 40 FDGB COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O1 658982 MAIMGURWXGMRBY-HNNXBMFYSA-N 358.350 1.493 50 40 FDGB CCCc1nnc(SCC(=O)NNC(=O)COc2ccccc2)o1 7604895 NXPJHQHJXWNASB-UHFFFAOYSA-N 350.400 1.341 50 40 FDGB O=C(COc1ccccc1Cl)NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 8346109 VFJLYSSWLKZSJH-MNOVXSKESA-N 352.774 1.533 50 40 FDGB O=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccncc1 28617779 MXVOZLKCRVJXQL-UNOMPAQXSA-N 355.354 1.590 50 40 FDGB O=C(NNC(=O)C1CC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 12769730 YLRJBJNVWPESAN-UHFFFAOYSA-N 373.434 1.336 50 40 FDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(F)cc1 9314320 NOWFHJKMIYMIEC-UHFFFAOYSA-N 364.402 1.502 50 40 FDGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 409370669 SWDXLSUVMOCKFR-YXAMBPQSSA-N 371.393 1.319 50 40 FDGB CCOC(=O)/C(C#N)=C/c1cc(C[S@](=O)c2nnnn2C)cs1 66089504 UYHTWXPJXMYJTC-HAOIVFDCSA-N 351.413 1.049 50 40 FDGB CCS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc(N)cc1 96519251 HWHOOFCMGSWJBJ-VHSXEESVSA-N 355.197 1.498 50 40 FDGB COc1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 5261822 CJSYGESNTVTEDG-UHFFFAOYSA-N 359.407 1.810 50 40 FDGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1n[nH]c(=O)c2ccccc12 7138398 FNJONCABRVCWAL-UHFFFAOYSA-N 366.421 1.901 50 40 FDGB C[C@H](O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 58882249 DPAWFYCMTRNPNH-OMBDHMDGSA-N 355.394 1.213 50 40 FDGB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NNC(=O)c1ccccn1 8293389 HDDXLZIXJCOKMO-UHFFFAOYSA-N 363.299 1.911 50 40 FDGB N#CC1=C(N)N/C(=C2/C(=O)C=CC=C2OCC2CC2)C=C1C1CCNCC1 147049887 DWQVGCQPWXKRKO-JZJYNLBNSA-N 364.449 1.913 50 40 FDGB CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc3ccccc3n2)C1 30575692 JVYIVUVTRCLCBG-AWEZNQCLSA-N 370.409 1.864 50 40 FDGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1Cl 632747 XKZSAQBYNKEDBD-VIFPVBQESA-N 351.149 1.588 50 40 FDGB Cc1cccc(OCC(=O)NN[C@H]2CC(=O)N(c3ccccc3)C2=O)c1 857251 FFBGFJLDLZRWQV-INIZCTEOSA-N 353.378 1.327 50 40 FDGB COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCC#N 4513422 SPZSKUPCRKMSDY-CAOOACKPSA-N 351.160 1.724 50 40 FDGB Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1ncc(Br)c1C 252489964 KGGVIDOADUZQRG-SYZQJQIISA-N 357.187 1.285 50 40 FDGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1ccc(-n2cnnn2)cc1 6786455 SAUKZFMYKAFPOR-UHFFFAOYSA-N 374.763 1.459 50 40 FDGB CC(=O)NNC(=S)N/C=C(\C(C)=O)C(=O)Nc1ccc(Cl)cc1 104305260 KRBOXJNCEAKQLF-KPKJPENVSA-N 354.819 1.267 50 40 FDGB IC[C@@H]1COC[C@@H](CI)O1 4722384 UYISQIRJYDOWOR-PHDIDXHHSA-N 367.952 1.640 50 40 FDGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2)c(C)c1 409074532 VFAYPHUNDUFZTE-UHFFFAOYSA-N 361.467 1.793 50 40 FDGB COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1 68933300 KXKUVCJEHZKRDM-ZDUSSCGKSA-N 371.368 1.648 50 40 FDGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(O)cc2O)c1C#N 8617921 SJPXMJJEIJZBQO-DNTJNYDQSA-N 370.365 1.348 50 40 FDGB COc1cccc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)c1OC 58216582 SZMDTGDXNUKODX-UHFFFAOYSA-N 354.366 1.720 50 40 FDGB O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc2c(c1)OCO2 5267855 LOLOPVCRYGXFDM-UHFFFAOYSA-N 350.334 1.880 50 40 FDGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)N2CCOCC2)c2ccccc21 5516289 NEHLGCNKNKDTLC-RVDMUPIBSA-N 367.405 1.970 50 40 FDGB CCCCO[C@H](C)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 48356663 PXTZZJMAKLMVAN-GFCCVEGCSA-N 370.475 1.254 50 40 FDGB N#C[C@H](/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1cccnc1 68602561 NUIAEYWEFPXZJO-HVCBDAARSA-N 353.298 1.427 50 40 FDGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 6841380 SUBNPZBGCPQUJY-SRZZPIQSSA-N 368.393 1.209 50 40 FDGB COC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(O)cc1 2448964 VLHYQBSKPPYAOU-QPUJVOFHSA-N 357.391 1.532 50 40 FDGB O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccc(Br)o1 4651782 PDMGKIBLBKTJEC-SFYZADRCSA-N 359.176 1.694 50 40 FDGB O=C(NNC(=S)NCc1ccc(F)cc1)c1n[nH]c(=O)c2ccccc12 7353217 VJPLSOGXYABTCB-UHFFFAOYSA-N 371.397 1.371 50 40 FDGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCC 408994429 FZKRBVCHBQXKLK-ODLFYWEKSA-N 369.849 1.920 50 40 FDGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1OC 18213212 KYONWWWAZGKVDE-AWEZNQCLSA-N 354.366 1.785 50 40 FDGB CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1 5465043 UQWMGUBAHIRKHT-FYJGNVAPSA-N 355.394 1.860 50 40 FDGB CCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccc(F)c3)C2=O)cc1 2229265 NABCOHSJMUHZLR-MRXNPFEDSA-N 371.368 1.791 50 40 FDGB COC(=O)CN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 4498998 VEWIIQIHDBDKRF-CAPFRKAQSA-N 371.780 1.994 50 40 FDGB Cc1cccc(N2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 16741150 YWMKFAULYQZQGO-XTJHUYNNSA-N 358.872 1.835 50 40 FDGB O=C(CN1CCCCCC1=O)NNC(=O)c1ccc(Br)o1 33028202 ZCXWBKKUIUZWIN-UHFFFAOYSA-N 358.192 1.206 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 6579913 GEQSBBQKECSJPS-WSDLNYQXSA-N 373.384 1.617 50 40 FDGB CO[C@H](C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2064423 HKWKIQYLJNSVNA-AWEZNQCLSA-N 365.367 1.292 50 40 FDGB O=C(COc1ccc(F)cc1)NNC(=O)COc1ccc2c(c1)CCC2 6983497 GRSXWGXUQJLPDT-UHFFFAOYSA-N 358.369 1.920 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C2CCOCC2)cc1 89991086 BPZSYMNSEYHNBC-QGZVFWFLSA-N 361.442 1.490 50 40 FDGB COc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)c(Cl)c1 575420065 FFFCTSZEYNDNFC-GXSJLCMTSA-N 353.227 1.875 50 40 FDGB Cc1cc(C)nc(SCC(=O)NNS(=O)(=O)c2ccc(F)cc2)n1 8707302 RBVKJNXMGSLPFM-UHFFFAOYSA-N 370.431 1.334 50 40 FDGB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1ccncc1 32975391 ASWGDGBNMOUXLS-HNNXBMFYSA-N 358.373 1.436 50 40 FDGB CO[C@@H](CCN1C(=O)c2ccccc2C1=O)[C@H](Br)CC(=O)O 1707408 BLORCHRNDPWCOI-NEPJUHHUSA-N 370.199 1.926 50 40 FDGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1O 3117453 MSWIIHQDWVEILY-LZYBPNLTSA-N 373.203 1.767 50 40 FDGB C[C@H](Sc1nnc(N)s1)C(=O)NNC(=O)c1cccc(Cl)c1 8130617 RFODMGCRHPTFCU-LURJTMIESA-N 357.848 1.716 50 40 FDGB COc1cc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc(OC)c1OC 18037902 QXSIMPAMJVQCMJ-GFCCVEGCSA-N 356.338 1.014 50 40 FDGB N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(N)=O 408753359 MERUJLWOJXTCLQ-XYOKQWHBSA-N 373.346 1.755 50 40 FDGB Cc1c(C(=O)N/N=C\c2ccncc2)nn(-c2ccccc2)c(=O)c1C#N 409060850 WPNYQGIQTKNJIT-UUYOSTAYSA-N 358.361 1.572 50 40 FDGB COc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1O 31870572 YMGZCMFRFLEGFW-OSSOMXAKSA-N 358.350 1.700 50 40 FDGB O=C(NNC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1cccs1 40107343 VNQPWDRDDBFSDQ-UHFFFAOYSA-N 350.444 1.437 50 40 FDGB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NN)c(C)c2)cc1C 7362056 RKWWKHKNGPEGJI-UHFFFAOYSA-N 363.439 1.781 50 40 FDGB COc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)c(OC)c1 59516037 ZMKSYKAGYVLGBN-HYARGMPZSA-N 369.421 1.903 50 40 FDGB COC(=O)Cc1c(C(=O)OC)sc(NC(=O)CCl)c1C(=O)OC 4206684 WTBGOLIAWJFKPS-UHFFFAOYSA-N 363.775 1.214 50 40 FDGB CC1CCN(c2ccc(/C=N/NC(=O)c3nonc3N)cc2[N+](=O)[O-])CC1 33958806 SYWLLLPKRWWOSU-GIJQJNRQSA-N 373.373 1.560 50 40 FDGB CCn1ncc(/C=N/NC(=O)Cn2cc(Br)c(C)n2)c1F 252484060 FNFFPGOSEBWTKB-SYZQJQIISA-N 357.187 1.460 50 40 FDGB CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)OO 504466266 ATPZUYZYORUVIK-DOTOQJQBSA-N 372.425 1.796 50 40 FDGB in-vitro Cc1cc(C)c(S(=O)(=O)NNC(=O)Cn2c(C)csc2=O)c(C)c1 40477454 LOECHYNEXWBUMH-UHFFFAOYSA-N 369.468 1.153 50 40 FDGB CC(C)(C)OC(=O)[C@H](N)CSSC[C@H](N)C(=O)OC(C)(C)C 1626949 KVVSTQBOEJNEKY-AOOOYVTPSA-N 352.522 1.706 50 40 FDGB COc1ccc([C@@H]2C(C#N)=C(O)NC(=O)[C@@H]2[n+]2ccccc2)cc1OC 4558328 JRQQEAHYYKEVAQ-IAGOWNOFSA-O 352.370 1.739 50 40 FDGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1 5625564 JNUYOQQSJNOBBN-DLBZAZTESA-N 360.377 1.950 50 40 FDGB O=C(CCc1nc2ccccc2s1)NNC(=O)Cn1ccccc1=O 7950371 ASRUBHVIMNZNRF-UHFFFAOYSA-N 356.407 1.238 50 40 FDGB Cc1ccsc1/C=N/NC(=O)CN(c1ccccc1)S(C)(=O)=O 20207443 XCNVTOCCOZZCHO-MHWRWJLKSA-N 351.453 1.973 50 40 FDGB N#Cc1ccc(N2CCC(C(=O)NNC(=O)c3ccccn3)CC2)nc1 40032225 AQNLAFMJJNEPBD-UHFFFAOYSA-N 350.382 1.026 50 40 FDGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1COc2ccccc2O1 32967488 WRYSKWQGJFEHEU-KRWDZBQOSA-N 351.362 1.698 50 40 FDGB CCOC(=O)N1CC=C2[C@@H](C1)[C@@H](c1ccncc1)C(C#N)=C(N)C2(C#N)C#N 668901 IKPJXQGZGOLDGX-WBVHZDCISA-N 374.404 1.963 50 40 FDGB Cc1ccc(CC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1 12702259 UBLDCSJWTKOEBM-UHFFFAOYSA-N 374.466 1.600 50 40 FDGB Cc1ccc(Cl)c(OCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1 9114336 OJOPJSRPMDGMCH-GFCCVEGCSA-N 360.863 1.520 50 40 FDGB Cc1ccccc1NCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 49949797 SPHGCNMZQPBWSC-QGZVFWFLSA-N 355.394 1.784 50 40 FDGB COc1cccc(N2/C(=N/C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 5369443 FPOZLAHCCBXPOF-DDVQTAGUSA-N 374.871 1.535 50 40 FDGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)COc1ccc(Cl)cc1C 6549207 RMIOXTBNXOOZQL-XPTSAGLGSA-N 370.837 1.258 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)COC(=O)c2cc(C)ccc2O)cc1 9313463 MYQZJSYEGPUSAL-UHFFFAOYSA-N 372.377 1.717 50 40 FDGB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccccc3)C2=O)cc1 408533321 JWRCYOHEYCPASA-BBJIBYMTSA-N 364.361 1.610 50 40 FDGB O=S1(=O)C[C@@H](Cl)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C1 575423883 SGIFAZQAAXITST-KGLIPLIRSA-N 359.856 1.523 50 40 FDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@@H]2CC[C@@H]1C2 101309837 DSLNZSKLJWYIQW-OIMIQSIKSA-N 362.904 1.511 50 40 FDGB COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)c2cccs2)CC1=O 14245972 UXKSZXUOWLPMCP-LBPRGKRZSA-N 373.434 1.879 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1ccc(F)cc1 408774056 ABRQGGHHSRMXQV-VXLYETTFSA-N 367.377 1.881 50 40 FDGB O=C(NNC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1)c1cccc(F)n1 1530280088 VMKHUVHAJLCSJO-CYBMUJFWSA-N 356.357 1.144 50 40 FDGB COc1ccnc(NNC(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)n1 25125315 SZQFJQGIYOXRGP-OKILXGFUSA-N 371.441 1.851 50 40 FDGB COCCNC(=O)CC(=O)N/N=C/c1ccccc1OCc1ccccc1 59515337 XXYYPMPCPHVDNY-HYARGMPZSA-N 369.421 1.868 50 40 FDGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c1 2342561 YNNGGBWUDLVHGZ-INIZCTEOSA-N 353.378 1.929 50 40 FDGB Cc1cccc2c(=O)n(CC(=O)NNc3ccccc3[N+](=O)[O-])cnc12 14142147 YQMNJRNGXXRMFU-UHFFFAOYSA-N 353.338 1.756 50 40 FDGB NC(=O)N[C@@H](CC(=O)NNC(=O)c1cccs1)c1ccccc1Cl 6933141 FJIHVKKFNSSQHE-NSHDSACASA-N 366.830 1.962 50 40 FDGB CC(C)C[C@@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O 213277480 MXAYKZJJDUDWDS-GFCCVEGCSA-N 361.034 1.266 50 40 FDGB COc1ccc(Br)c(CC(=O)NNC(=O)[C@@H]2CCCOC2)c1 585088508 LXDDHLFJGUBRHQ-SNVBAGLBSA-N 371.231 1.574 50 40 FDGB COc1ccccc1C(=O)N/N=C/c1cn(CC(N)=O)c2ccccc12 6545281 QCHAJAUJVMNCJU-UFFVCSGVSA-N 350.378 1.899 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)N=C(S)N(C2CCCCC2)C1=O 2589045 QNHBUUSSHUXUNB-BENRWUELSA-N 352.460 1.669 50 40 FDGB CCCc1c(C(=O)N/N=C(\C)c2ccccc2)nnn1-c1nonc1N 5478355 VNJPRNLPDUDUMQ-VCHYOVAHSA-N 354.374 1.339 50 40 FDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2F)o1 8011258 LIYAVBNMLFRBOR-JTQLQIEISA-N 366.370 1.281 50 40 FDGB O=C(NNC(=O)c1ccccc1F)C1=NN(c2ccccc2)C(=O)CC1 5511708 ORNQUYGSUIXBGX-UHFFFAOYSA-N 354.341 1.770 50 40 FDGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1ccc(Br)o1 4651788 DEVBDPVDCFRFSB-GUHGHRINSA-N 371.187 1.550 50 40 FDGB O=C(COC(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1ccco1 9531999 ULRRVFYRMGUEAZ-UHFFFAOYSA-N 360.322 1.059 50 40 FDGB CNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 408836997 XOZJNIADMXZMFZ-LCYFTJDESA-N 366.377 1.496 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1cccc(Cl)c1 408776040 LDIDBQSAVLAJRA-CXUHLZMHSA-N 355.803 1.849 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)Cc2cnn(-c3ccccc3)c2)cc1 12815946 ZUXKMIZPVCVDQJ-UHFFFAOYSA-N 364.405 1.950 50 40 FDGB N#CCCN(NC(=O)c1ccccc1)C1=NS(=O)(=O)c2ccccc21 4189882 BQMGDSHNQBWDNG-UHFFFAOYSA-N 354.391 1.696 50 40 FDGB CCOC(=O)COc1c(Br)cc(/C=N/NC(N)=O)cc1OC 654982 XELOWGKHSNIIFD-OMCISZLKSA-N 374.191 1.402 50 40 FDGB C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)COc1ccc(C#N)cc1 7652840 ZRVSUMKOOKWVKH-GFCCVEGCSA-N 357.341 1.691 50 40 FDGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1OC 7869799 GBWOCZNHPUNPTO-HXJASHHUSA-N 361.398 1.005 50 40 FDGB COc1ccc(Cc2nnc(NNC(=O)Cc3ccccc3)nc2O)cc1 22854116 CFLHESSNBKRBGK-UHFFFAOYSA-N 365.393 1.862 50 40 FDGB N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)NC(N)=O 409241826 OWUHKWSNLLAGNT-RJRFIUFISA-N 362.965 1.906 50 40 FDGB COCCNC(=O)/C(C#N)=C/c1cc(Br)c(O)c(OC)c1 3247356 XTLSBBIUZFKKRN-BJMVGYQFSA-N 355.188 1.833 50 40 FDGB CCOC(=O)[C@@H]1/C(=N/NC(=O)CC#N)C[C@](C)(O)C[C@@H]1c1ccccc1 100249870 NJAZXKWHVGETQM-WCEDODQJSA-N 357.410 1.880 50 40 FDGB COc1ccc(/C(C)=N/NC(=O)CNC(=O)Cc2ccccc2)c(OC)c1 5024349 CELAYNUQCLKCFP-HYARGMPZSA-N 369.421 1.903 50 40 FDGB O=C(NN/C=C1/C(=O)N(c2ccccc2)C(=S)N=C1O)c1ccncc1 4812634 JGZSOHFKGDGCLZ-JLHYYAGUSA-N 367.390 1.488 50 40 FDGB Cc1n[nH]c(=O)c(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1C 75488593 NDPMDTYKCARQMU-UHFFFAOYSA-N 358.442 1.754 50 40 FDGB O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 669841 DRUCHQVNNBNJMO-UHFFFAOYSA-N 355.759 1.872 50 40 FDGB CCN1CCC2(CC1)[C@@H]1CN(CC)CC=C1C(C#N)=C(N)C2(C#N)C#N 989223 CZLXCCUTZVOKDJ-QGZVFWFLSA-N 350.470 1.750 50 40 FDGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1O 2302435 OTLWZWLFXZKUGN-VXLYETTFSA-N 357.366 1.807 50 40 FDGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C(\C)CC(=O)NC1CCCC1 4474126 VTBJCLULUREZCC-LPYMAVHISA-N 374.441 1.883 50 40 FDGB COC(=O)c1ccc(OCC(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1 33362574 LYWYECUUSNPXEL-ZDLGFXPLSA-N 357.322 1.911 50 40 FDGB CC[C@@H](C(=O)N/N=C/c1c(C)nn(C)c1F)n1nc([N+](=O)[O-])cc1C 252493181 NAULYMZPFKBNBT-JRUYLCMPSA-N 351.342 1.382 50 40 FDGB COc1ccc(NC(=S)NNC(=O)c2cc(O)ccc2O)cc1F 1616040788 XXGDQIHBYAQOFG-UHFFFAOYSA-N 351.359 1.877 50 40 FDGB O=C(NNC(=O)[C@H]1CCCN1c1nccs1)[C@@H]1COc2ccccc2O1 96998188 GNEPHYSAHYSJGG-RISCZKNCSA-N 374.422 1.099 50 40 FDGB CCOCC(=O)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 16839336 MYICCMFNCUCXRG-UHFFFAOYSA-N 363.801 1.348 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1ccccc1F 20211635 NAFQSWBIRFRICZ-VCHYOVAHSA-N 350.375 1.137 50 40 FDGB O=C(NNC(=O)c1ccccc1Cl)c1csc(N2CCOCC2)n1 9366126 ISRSZFREMCTZCJ-UHFFFAOYSA-N 366.830 1.708 50 40 FDGB COc1ccc(NC(=O)C[C@@H](C)CC(=O)NNC(=O)c2ccccn2)cc1 9190712 VJSMJRFRAGSDAJ-CYBMUJFWSA-N 370.409 1.906 50 40 FDGB C/C(CC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)=N/NC(=O)NN 104282362 DJDRBVCVWHZNKN-AFPJDJCSSA-N 373.335 1.932 50 40 FDGB Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 3374779 TUGAMDXDYOGXGX-UHFFFAOYSA-N 361.423 1.320 50 40 FDGB CCc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)cc1 409025284 PDTGXWVYJFCZQQ-XDHOZWIPSA-N 360.439 1.560 50 40 FDGB Cc1cc(C)c2c(N)c(C(=O)NNC(=O)c3ccc[nH]c3=O)sc2n1 24843344 UNEFYALFOIUCMN-UHFFFAOYSA-N 357.395 1.258 50 40 FDGB COc1cccc(NCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 12542926 GJXUUEQZGRLWQR-UHFFFAOYSA-N 374.353 1.242 50 40 FDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1Cl 9930870 QPYUAYVWTLSWMD-SSDOTTSWSA-N 351.211 1.189 50 40 FDGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)[C@H](O)c1ccccc1 33628407 WEYQYFPVFHVDPM-VHWUNXFSSA-N 359.338 1.796 50 40 FDGB COC(=O)c1nc(Cl)nc(N[C@H](C)COC[C@H](O)CCl)c1Cl 1772715131 FYOUVUTVCIVXKX-RNFRBKRXSA-N 372.636 1.987 50 40 FDGB CC1(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)OCCO1 6050290 CGTCZBPGAMOBAB-UHFFFAOYSA-N 368.187 1.375 50 40 FDGB Cc1ccc(OCC(=O)NN/C=C2/C(=O)NC(=O)c3ccccc32)cc1C 16719840 RUNBDTHHKPMKJU-LICLKQGHSA-N 365.389 1.614 50 40 FDGB CCn1c(NNC(=O)CCCNC(=O)C(C)(C)C)nc2ccccc2c1=O 32901049 BHIIHEOOWABNJR-UHFFFAOYSA-N 373.457 1.802 50 40 FDGB CO[C@H](CCN1C(=O)c2ccccc2C1=O)[C@H](Br)C(=O)O 1706621 NMGSJFZNBDUBIX-MNOVXSKESA-N 356.172 1.536 50 40 FDGB COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC 409344412 GUNUFTFJJNNPCX-HKJBKDEOSA-N 359.338 1.796 50 40 FDGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)C(=O)N1CCOCC1 409007622 PWIAKFZHOFQHDL-RVDMUPIBSA-N 356.382 1.961 50 40 FDGB COc1cc(/C=N/NC(=O)CC(=O)NCC(C)C)cc(OC)c1OC 5380517 BKPIIYVLQASAAK-VXLYETTFSA-N 351.403 1.325 50 40 FDGB O=C1OC(=O)[C@H]2[C@@H]3C=C[C@@](CNC(=O)C45CC6CC(CC(C6)C4)C5)(O3)[C@@H]12 100396588 UCMHWRPEQPKCKY-JPANYZBESA-N 357.406 1.342 50 40 FDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(O)c2)cc1OC 59434354 IADNFPJILBTUQT-CIAFOILYSA-N 371.393 1.218 50 40 FDGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)n1 6510430 OSGNERDFTAMFSR-UHFFFAOYSA-N 356.304 1.860 50 40 FDGB Cc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1[N+](=O)[O-] 32118977 JWGZEUAEEFYGPZ-UHFFFAOYSA-N 364.408 1.914 50 40 FDGB COc1ccc(/C(C)=N\NC(=O)c2nc3nc(C)cc(C)n3n2)c(OC)c1 13784864 NSEUMBUREKJUGU-MTJSOVHGSA-N 368.397 1.912 50 40 FDGB CCC(CC)=NNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 16609777 HYZCMCSWRKUTPZ-UHFFFAOYSA-N 368.459 1.558 50 40 FDGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(CO)c2ccccc21 4313846 AGDPHRVCVMRMQC-HXUWFJFHSA-N 365.389 1.588 50 40 FDGB CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)[C@H](C(=O)O)C1 5523272 BKHMQVPIQXGNBU-CHWSQXEVSA-N 360.366 1.624 50 40 FDGB CCCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]c1=O 9882605 UMGMVUSICHCMHT-UHFFFAOYSA-N 369.834 1.188 50 40 FDGB CS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96519167 SSYMDSOEQFXBPN-DTWKUNHWSA-N 371.152 1.434 50 40 FDGB COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 3060582 YQVRSEZQWYEVEI-WOJGMQOQSA-N 361.423 1.432 50 40 FDGB Nc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2F)ccc1Cl 5656002 RUFPCFPBDMRPOY-UHFFFAOYSA-N 365.748 1.679 50 40 FDGB C=CCNC(=S)NNC(=O)[C@H](CCCC)C[C@H](O)COCC(C)C 13635285 PEMMICOLBWLJSH-CABCVRRESA-N 359.536 1.898 50 40 FDGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1ccc(Br)o1 4651787 DEVBDPVDCFRFSB-KYAGDKKUSA-N 371.187 1.550 50 40 FDGB N#CC1(C#N)[C@H](c2ccccc2)[C@H](Br)[C@]2(O)C[C@@]1(C#N)C(=O)N2 102676172 RZIYULXBHNHLCK-FAXLKDOZSA-N 371.194 1.299 50 40 FDGB CCCCCOC[C@@H]1C[C@](C/C(C)=N/NC(N)=O)(C(=O)OCC)[C@H](O)O1 4507279 TYAAAKIWNBMSMN-WITMKPHYSA-N 373.450 1.284 50 40 FDGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cccc(O)c1 32576930 PAULTJLCXCBRGJ-STZFKDTASA-N 352.438 1.660 50 40 FDGB CC(=O)NNC(=S)N/C=C1\C(=O)N(c2ccc(C)c(Cl)c2)N=C1C 408533837 PHMBAVDDMNUFBX-GHXNOFRVSA-N 365.846 1.770 50 40 FDGB COc1cccc([C@H]2[C@H]3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 658822 ZIUNGNSFWYVVBV-RDJZCZTQSA-N 361.405 1.717 50 40 FDGB C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccncc1 101547005 FARUEFFKJPZDRY-CIAFOILYSA-N 354.366 1.987 50 40 FDGB CCCCCOC[C@H]1C[C@](C/C(C)=N/NC(N)=O)(C(=O)OCC)C(=O)O1 4426929 RSCVNKXOCMEVHO-ZMYFZJSUSA-N 371.434 1.493 50 40 FDGB CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(Br)o2)C1 40158815 SQUNQTQDSRLKOL-SNVBAGLBSA-N 358.236 1.925 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1I 104495394 DWGZRVRPLSEJKO-NTMALXAHSA-N 370.146 1.773 50 40 FDGB O=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1ccccc1[N+](=O)[O-] 943341 OCLRJQIMZOOXDA-YBFXNURJSA-N 365.349 1.914 50 40 FDGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)s1 1958387 JUMUBIJMVJOMEL-OVCLIPMQSA-N 362.371 1.488 50 40 FDGB O=C(COc1ccccc1)N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 57476931 YOFDYKKWEMSLBR-PXNMLYILSA-N 360.282 1.738 50 40 FDGB O=C(NC(=S)NNC(=O)c1ccccc1O)c1cccc([N+](=O)[O-])c1 2064471 IHOBRRVFFCBHIK-UHFFFAOYSA-N 360.351 1.250 50 40 FDGB O=C(NCc1ccccc1CN1CCOCC1)NNC(=O)c1ccccc1 12985178 BUCDDGQSHFRWKE-UHFFFAOYSA-N 368.437 1.663 50 40 FDGB Cn1/c(=N\NC(=O)c2ccc(OCC(N)=O)cc2)sc2ccccc21 584906772 VJXBKDNCZJBODX-LVZFUZTISA-N 356.407 1.350 50 40 FDGB COc1ccnc(NNC(=O)c2cnn3c(-c4cccnc4)ccnc23)n1 1776002835 HBHLDPFHBXLOSV-UHFFFAOYSA-N 362.353 1.347 50 40 FDGB CCOC(=O)C1=C(N)OC(C)=C(C#N)[C@H]1c1ccc(OCC(N)=O)cc1 1070146 WPUHUXQFDPTBMV-OAHLLOKOSA-N 357.366 1.195 50 40 FDGB C[C@H]1C[C@@H](C)CN(CC(=O)NNC(=O)COc2ccc(Cl)cc2)C1 7061577 GOTZSFWYQXOQCS-BETUJISGSA-N 353.850 1.844 50 40 FDGB O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1COc2ccccc2O1 8843258 OALHUUJPDWNYTG-AWEZNQCLSA-N 360.282 1.786 50 40 FDGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)c1 408998605 RKQHBZJCLLVWLP-CIAFOILYSA-N 355.394 1.779 50 40 FDGB O=C(Cc1ccc([N+](=O)[O-])cc1)NNS(=O)(=O)c1ccc(F)cc1 829224 WCGYPBBDPSOBRB-UHFFFAOYSA-N 353.331 1.286 50 40 FDGB Cn1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 12537091 QXVPUEMONKZVCI-QGZVFWFLSA-N 351.362 1.779 50 40 FDGB C/C(=N\NC(=O)Cn1nnc(-c2ccccc2)n1)c1cc(F)ccc1O 6287378 ACMGRKJZKZUECD-YBFXNURJSA-N 354.345 1.725 50 40 FDGB COCc1cccc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 31674276 UYHQFBMECASOOO-UHFFFAOYSA-N 362.407 1.311 50 40 FDGB N#CC1=C(N)n2c(s/c(=C/c3ccco3)c2=O)=C(C#N)[C@@H]1c1ccco1 2346688 HBGHHVGJNJENMJ-KEQVLUGWSA-N 362.370 1.047 50 40 FDGB COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 142837 QQIVJMDYBWFEKB-VXGBXAGGSA-N 350.371 1.112 50 40 FDGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1c(F)cccc1Cl 2520702 HWNGVPWTFQBBMH-YAXRCOADSA-N 364.728 1.097 50 40 FDGB COc1cccc(/C=N/NC(=O)[C@@H](c2ccncc2)N2CCOCC2)c1 20029303 SFJNHHBBRMERSR-ALDSOSFCSA-N 354.410 1.614 50 40 FDGB CC[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)C)cc2C1 27327210 NRNHVBMWJQMMHO-YGRLFVJLSA-N 366.487 1.717 50 40 FDGB COc1ccc(Cl)cc1C(=O)N/N=C(\C)Cn1nnc([N+](=O)[O-])n1 25580853 MABPZKHZUQXMHM-VGOFMYFVSA-N 353.726 1.049 50 40 FDGB Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 575426337 RFNQKMDWFCXTHJ-UWVGGRQHSA-N 358.268 1.331 50 40 FDGB CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](SC#N)[C@@H]1O 5049480 WBOSEENYEKDFPW-FMSGJZPZSA-N 354.340 1.067 50 40 FDGB O=C(CNC(=O)c1ccncc1)N/N=C/c1ccc(Br)cc1 1923348 VUCRRPQBQVQYJN-DJKKODMXSA-N 361.199 1.724 50 40 FDGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c1 4476315 NOQCUGQBFLXYAV-OAHLLOKOSA-N 356.334 1.367 50 40 FDGB NNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 4301218 ACXXOPXBWJSGGQ-XKLXXKPTSA-N 354.454 1.464 50 40 FDGB O=C(Cc1cn2ccsc2n1)NNC(=O)c1cc(Cl)ccc1O 10624147 DZKWCYOCSBYHNR-UHFFFAOYSA-N 350.787 1.759 50 40 FDGB O=C(CCC(=O)N1CCOCC1)NNC(=O)c1ccc(-c2ccco2)cc1 4603267 ZWXOMSSKRDVXMV-UHFFFAOYSA-N 371.393 1.347 50 40 FDGB Cc1c(C(=O)NNC(=O)c2ccc(CNC(N)=O)cc2)oc2ccccc12 9478466 IBBULAYNYIKDPC-UHFFFAOYSA-N 366.377 1.984 50 40 FDGB CN(C)N(C(=O)COc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 8939272 HSTZPAUUAMIKKV-OAHLLOKOSA-N 362.451 1.711 50 40 FDGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1nc2nc(C)cc(C)n2n1 3449447 BDUJFMJQNNXBPS-UHFFFAOYSA-N 374.788 1.478 50 40 FDGB N#CC1(C#N)C[C@]2(O)NC(=O)[C@]1(C#N)[C@H](c1ccccc1)[C@H]2Br 100082603 PHHURESSVHMUKY-AVRGHOLYSA-N 371.194 1.299 50 40 FDGB N#C/C(C(=O)NNC(=O)c1cccs1)=C(\O)c1ccc([N+](=O)[O-])cc1 100469398 QFJRVSKDIRRJAK-ACCUITESSA-N 358.335 1.910 50 40 FDGB CC(C)=NO[C@@H]1NC(Br)=C(C#N)[C@@](C#N)(C(N)=O)C1(C)C 22134160 DERZXBAGGHGNQM-AAEUAGOBSA-N 354.208 1.480 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 34782396 VSICGESGQCQTCX-GIJQJNRQSA-N 373.321 1.616 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)N(CCc2ccccc2)C(=O)N=C1O 4852441 SEUPKOCCDYPCDQ-WYMLVPIESA-N 358.398 1.843 50 40 FDGB COC(=O)[C@@H]1[C@@H]2C[C@H]([C@H](Br)[C@@H]2Br)[C@@H]1C(=O)O 100390305 CEKJTNRDLCMPHH-FWRBPFIFSA-N 356.010 1.653 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 2302562 OXEVGDRUTROIRR-RAXLEYEMSA-N 360.439 1.438 50 40 FDGB Cc1c(C(=O)N/N=C\c2cccnc2)nn(-c2ccccc2)c(=O)c1C#N 409055988 DOSFIZLMJQYJHL-UUYOSTAYSA-N 358.361 1.572 50 40 FDGB CCOC(=O)C(=N/O)/C(C)=N/NC(=O)C(=O)Nc1ccc(Cl)cc1 5296604 VNYRSPDFJIKQFI-UWWBMNDPSA-N 354.750 1.164 50 40 FDGB COc1ccc(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)c(OC)c1 7898524 PKNUWEDMNQRYDR-UHFFFAOYSA-N 358.350 1.436 50 40 FDGB COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2cc(OC)cc(OC)c2)C1=O 8992025 GGMWRZYJWOEHLU-BOPFTXTBSA-N 371.393 1.855 50 40 FDGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(Cl)cc1 25762603 UICQUGMDMYQRQJ-REZTVBANSA-N 360.765 1.348 50 40 FDGB Cc1occc1C(=O)NNC(=O)NCc1ccc(N2CCCC2=O)cc1 45128957 KKPZMTJICGBADR-UHFFFAOYSA-N 356.382 1.859 50 40 FDGB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccs1 3083683 PYHPCMINIREWHM-OVCLIPMQSA-N 357.844 1.830 50 40 FDGB CCc1noc(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 5167390 DPNQOEGNJQEAOU-UHFFFAOYSA-N 365.773 1.817 50 40 FDGB O=C(NNC(=O)c1cccnc1)NS(=O)(=O)c1ccccc1Cl 18191576 UDXBORNMZSNXFH-UHFFFAOYSA-N 354.775 1.068 50 40 FDGB COc1ccc(CC(=O)N/N=C2/C(=O)N(CN(C)C)c3ccccc32)cc1 20150180 VNCHMLNZNHVQIB-ZBJSNUHESA-N 366.421 1.624 50 40 FDGB Cc1[nH]nc2c1[C@]1(C(=O)Nc3cc(Br)ccc31)C(C#N)=C(N)O2 1053111 HBZPKNNVZWNSFG-OAHLLOKOSA-N 372.182 1.805 50 40 FDGB CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 4939929 ZMYVYCVDVABSKP-CHWSQXEVSA-N 365.904 1.667 50 40 FDGB CCCCC(=O)NN/C=C1/C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O 2228698 RKWJSGLBUIVFPC-KAMYIIQDSA-N 358.398 1.527 50 40 FDGB Cc1[nH]c(=O)[nH]c(=O)c1/C=N\NC(=O)CCc1ccc(OC(C)C)cc1 19881226 OYGCQRDQFFCEBA-GRSHGNNSSA-N 358.398 1.242 50 40 FDGB COc1cccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3OC)C2=O)c1 18121956 VDZMQQIAGXNUIL-HNNXBMFYSA-N 369.377 1.270 50 40 FDGB Cc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 68933381 DFCMZMJHKDBQDS-ZDUSSCGKSA-N 355.369 1.948 50 40 FDGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1O 7813057 XKYFEXFBELDRNL-FRKPEAEDSA-N 372.219 1.528 50 40 FDGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1 58880667 GUHIVBXYUDSOPV-XDHOZWIPSA-N 361.398 1.091 50 40 FDGB C=CCNc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)s1 11394039 FOHCHELSZQPHAT-UHFFFAOYSA-N 367.431 1.828 50 40 FDGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(N)=O 408859400 WWXCEAWASHTEMF-YFHOEESVSA-N 365.798 1.804 50 40 FDGB CCN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 100855462 QJLMJJIDCFCZTG-HNOLQLOCSA-N 351.362 1.713 50 40 FDGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1OC 4855309 FLECAFWHJUDDTR-INIZCTEOSA-N 370.361 1.758 50 40 FDGB CC(=O)Nc1cccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 3520625 DTPLZTASFLOOHQ-UHFFFAOYSA-N 355.350 1.263 50 40 FDGB Cc1cc(C)cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 7787199 VXQWHVVPUKBWMJ-UHFFFAOYSA-N 374.466 1.980 50 40 FDGB CN(C)Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)o1 7987234 KCEUVNBTYSGQPN-UHFFFAOYSA-N 355.350 1.522 50 40 FDGB O=C(CN1CCOCC1)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 409000300 YJTARNMSGUAYML-ZDLGFXPLSA-N 374.353 1.343 50 40 FDGB NC(=S)N/N=C1/C(=O)N(CCCCBr)c2ccccc21 6197694 PDEGXFQKHWNFNA-LFIBNONCSA-N 355.261 1.746 50 40 FDGB O=C(Cn1ncc2ccccc2c1=O)NNC(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2 4694035 JNWDNRBBPAVRMA-YWPYICTPSA-N 371.466 1.080 50 40 FDGB Cc1cccc(N(CC(=O)N/N=C/c2cccs2)S(C)(=O)=O)c1 408869534 SGAFYQZWLTUBEG-MHWRWJLKSA-N 351.453 1.973 50 40 FDGB CCCCC/C(CC[C@@H]1NC(=S)NC1=O)=N\NC(=O)c1ccncc1 17300249 QLRTWKYSVLIUCU-HADWXUJASA-N 361.471 1.901 50 40 FDGB O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccccc1O 1500923 YWUQQTLWKJIZNL-LICLKQGHSA-N 354.395 1.610 50 40 FDGB CCOc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)ccc1O 408752163 GLIZPULHNDWTEQ-BKUYFWCQSA-N 355.394 1.948 50 40 FDGB COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCC(=O)N1CCCC1 8113059 HKTGVDCMDYRGIL-XNTDXEJSSA-N 369.421 1.882 50 40 FDGB CC(=O)OCC(CCn1cnc2c1N=CN(N)[C@H]2Cl)COC(C)=O 26892562 LXGQOZBSERMCKF-CYBMUJFWSA-N 357.798 1.102 50 40 FDGB COc1ccccc1/C=C/C=N/NC(=O)c1ccccc1S(N)(=O)=O 3244244 YZFVNWKJCCWRPC-ZYZAVJBWSA-N 359.407 1.772 50 40 FDGB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 2616487 QFMAEQBZRBZKRQ-CHWSQXEVSA-N 361.785 1.052 50 40 FDGB C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 6836124 CKEYHWMDYBKNFB-CYBMUJFWSA-N 364.405 1.676 50 40 FDGB C[C@H](Br)C(=O)/C(=C\N(C)C)c1nnnn1-c1ccccc1 5211265 GKAPLSRTOMGOKC-LZAIMSLLSA-N 350.220 1.917 50 40 FDGB CCc1sc(C(=O)NNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1C 25395552 FGHCTRZHSZIOBO-CYBMUJFWSA-N 374.466 1.660 50 40 FDGB O=C(C[C@H]1Sc2ccccc2NC1=O)NNc1ccc([N+](=O)[O-])cn1 20031611 OSJHGQFTHUADNT-GFCCVEGCSA-N 359.367 1.936 50 40 FDGB COC(=O)CSC1=C(C#N)[C@@H](c2cc(OC)ccc2OC)CC(=O)N1 9110846 YOTGCPFJSTVZRF-LLVKDONJSA-N 362.407 1.949 50 40 FDGB O=c1c2cc3ccccc3cc2c(=O)n2n1C[C@H](Br)[C@H](O)C2 1872319 DFYPZEXLPPEIDU-UONOGXRCSA-N 361.195 1.454 50 40 FDGB COc1ccc(Br)cc1/C=N/NC(=O)CC(=O)NC(C)C 59515319 YRVKVAULNDVBQK-LZYBPNLTSA-N 356.220 1.823 50 40 FDGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(N)=O)c1 409250409 LCAMITPBNDCBOZ-UKWGHVSLSA-N 361.785 1.977 50 40 FDGB O=C(CCC(=O)OCC(=O)c1ccccc1)NNC(=O)c1ccccc1 6251972 NDJNQHMSMFAXGB-UHFFFAOYSA-N 354.362 1.654 50 40 FDGB COc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 408615810 SKXSWKMPBHYROI-AWEZNQCLSA-N 353.378 1.509 50 40 FDGB COc1ccc(CC(=O)N/N=C/c2ccccc2OCC(=O)O)cc1OC 4735425 LNTAZTYMBLCQEF-RGVLZGJSSA-N 372.377 1.860 50 40 FDGB COCCCNC(=O)/C(C#N)=C/c1ccc(I)o1 408805222 JRVLTMKZZGLVKN-VQHVLOKHSA-N 360.151 1.944 50 40 FDGB O=C(N/N=C\c1ccc2c(c1)OCO2)N/N=C\c1ccc2c(c1)OCO2 31628970 VMYVZWHXBKXIBH-DZWUWFSDSA-N 354.322 1.811 50 40 FDGB C/C=C/C=C/C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 12933898 HBBAZFOFYXYAFT-VNKDHWASSA-N 371.846 1.240 50 40 FDGB COc1ccc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)cc1OC 6507617 YIODLZHIGHMIFG-RGVLZGJSSA-N 366.377 1.715 50 40 FDGB COc1cc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccccc2O)ccc1O 1633529 DNIZVVGRQYNGJF-GJZGRUSLSA-N 362.769 1.942 50 40 FDGB Cc1ccc(C)c(NC(=S)NNC(=O)CCn2ccc([N+](=O)[O-])n2)c1 2795591 HXNFGKXQXCDGPJ-UHFFFAOYSA-N 362.415 1.816 50 40 FDGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cccnc2)cc1 2316443 NIZCVIFQYZSZPS-RMKNXTFCSA-N 356.407 1.439 50 40 FDGB Cc1cccc(CN(CC(=O)NN)S(=O)(=O)c2ccc(Cl)cc2)c1 408974106 XFLBOOFDXMLXLC-UHFFFAOYSA-N 367.858 1.829 50 40 FDGB O=C(CNC(=O)c1cccs1)NNC(=O)Cc1c[nH]c2ccccc12 6510133 NGVFKIOURBQTHR-UHFFFAOYSA-N 356.407 1.349 50 40 FDGB CN(C)c1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccco2)cc1 4676941 XGBJSWFVSFCJBU-UHFFFAOYSA-N 358.398 1.203 50 40 FDGB CC1=C(C(N)=O)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CC2)N1 6907293 ISLXIKFCFBLGLF-OAHLLOKOSA-N 358.423 1.473 50 40 FDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 7428701 ZNXQWMVUKLQLFW-UHFFFAOYSA-N 350.352 1.047 50 40 FDGB C/C(=N/NC(=O)CC(=O)N/N=C(\C)c1ccc(N)cc1)c1ccc(N)cc1 15938444 ODIUZFQOHFAGIV-SEKXJNOLSA-N 366.425 1.622 50 40 FDGB CN(NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccccc1 32899718 TWXNSUXGMRLWKP-LJQANCHMSA-N 370.384 1.760 50 40 FDGB O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)Nc2ccc3ncccc3c2)C1 575425789 WODDRGVICRHYGO-DGCLKSJQSA-N 355.872 1.926 50 40 FDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1OC 5918299 ZBWLZUQYTZKVTP-CIAFOILYSA-N 371.393 1.218 50 40 FDGB C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1)CS2 24451273 VWNDHBQEGYAPOO-NHYWBVRUSA-N 353.831 1.555 50 40 FDGB CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccccn3)CC2=O)c1 24839584 IIHZAKKVPAQGAH-CQSZACIVSA-N 352.394 1.458 50 40 FDGB N#Cc1cc(C(=O)O)c(=O)n2c1SC[C@H]2CI 2368330 ASURVGPDWHJABB-ZCFIWIBFSA-N 362.148 1.500 50 40 FDGB NC(=O)N[C@H](CC(=O)NNC(=O)c1ccco1)c1ccc(Cl)cc1 6510806 VVUDOXCSUKRFOH-LLVKDONJSA-N 350.762 1.494 50 40 FDGB O=C(COc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 5569933 LWKZPFNKOMNRTD-STQMWFEESA-N 354.790 1.757 50 40 FDGB O=C(COC(=O)C1(c2ccccc2)CC1)NNC(=O)c1ccccc1F 7489550 YUQYPUBCWOFMGJ-UHFFFAOYSA-N 356.353 1.862 50 40 FDGB COCCCNC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 6441093 BDEVGRFZUXNBOT-AWEZNQCLSA-N 359.451 1.911 50 40 FDGB COc1ccccc1NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN 2150618 QNMWGGNLCCSBIM-INIZCTEOSA-N 367.409 1.899 50 40 FDGB biogenic COc1ccccc1C(=O)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 4784077 LCFHCKOTHDSRRK-UHFFFAOYSA-N 374.378 1.553 50 40 FDGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1c(O)c2c([nH]c1=O)CCCC2 17137852 BBNKNRSEYHMPJL-GIJQJNRQSA-N 356.338 1.631 50 40 FDGB COC(=O)c1ccc(/C=N\NC(=O)c2cc(-c3cccn3C)n[nH]2)cc1 33344070 NDSPFHSLLJFYBE-ODLFYWEKSA-N 351.366 1.966 50 40 FDGB COc1ccc([C@H](O)[C@@H](I)S(C)(=O)=O)cc1 96519222 BHIDQPNBIFWIHQ-UWVGGRQHSA-N 356.181 1.534 50 40 FDGB CNC(=O)/C(C#N)=C/c1c(N2CCC(C)CC2)nc2c(C)cccn2c1=O 2207618 HYOLALIJGGHPKN-RVDMUPIBSA-N 365.437 1.892 50 40 FDGB Cc1cccc(NC(=O)C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c1 4611037 KNXLCCFUXSSIBT-UHFFFAOYSA-N 367.321 1.314 50 40 FDGB CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 4939910 ZMYVYCVDVABSKP-QWHCGFSZSA-N 365.904 1.667 50 40 FDGB O=C(COc1ccc(-n2cnnn2)cc1)N/N=C/c1ccc([N+](=O)[O-])s1 1815219 AOEURURYZYXZAA-VIZOYTHASA-N 373.354 1.161 50 40 FDGB Cc1cc(C(=O)NNC(=O)Cc2cn3ccsc3n2)c2c(C)noc2n1 12600377 ZQCCIGDUPQSAAP-UHFFFAOYSA-N 370.394 1.553 50 40 FDGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(OC)nc2)cc1 12944205 SLULBKDYTXOVRL-LBPRGKRZSA-N 359.382 1.717 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C 408987318 WHVDNIWBBBBBME-CIAFOILYSA-N 356.426 1.615 50 40 FDGB C/C(=N\NC(=O)CNC(=O)[C@@H]1COc2ccccc2O1)c1cccs1 33788834 MNQNQZTWTZYGAV-YRIIZNAFSA-N 359.407 1.545 50 40 FDGB COc1cccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)c1 32576946 SKLSSPGYWOEHEQ-JCMHNJIXSA-N 366.465 1.963 50 40 FDGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2c3c(cccc13)CC2 27144249 OGIFHUBINCBOQB-ZDUSSCGKSA-N 358.419 1.134 50 40 FDGB CC(C)CC(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 22415367 PQJJWBWBQNVMCH-AWEZNQCLSA-N 371.434 1.172 50 40 FDGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(OCC(N)=O)cc1 5621146 UGNNBGCPQMKQFK-RGVLZGJSSA-N 355.350 1.433 50 40 FDGB O=C(CN1CCOCC1)N/N=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl 409217990 RYLXKQFWGAZURF-APSNUPSMSA-N 361.185 1.684 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C 4091318 WSVRRUGPPTYYHJ-WSDLNYQXSA-N 370.453 1.924 50 40 FDGB NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)CCl)cc2)c1 8183818 XQYFIWJMUSLKJX-UHFFFAOYSA-N 367.814 1.764 50 40 FDGB COc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 408615125 MFDWAQPNCLYLPF-CYBMUJFWSA-N 371.368 1.648 50 40 FDGB O=C1CC[C@H](C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CN1 84556882 MSJKCYAMVRORAN-LBPRGKRZSA-N 357.366 1.146 50 40 FDGB COc1cc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc(OC)c1OC 670492 ISJNFTFUDOGMHE-UHFFFAOYSA-N 374.349 1.485 50 40 FDGB CO[C@](CI)(c1ccncc1)n1ccnc1[N+](=O)[O-] 3175297 XAFDUMWYZFQKNH-LLVKDONJSA-N 374.138 1.969 50 40 FDGB CCN(CC)c1ccc(C(=O)NNS(=O)(=O)c2c(C)n[nH]c2C)cc1 3566324 UMGPMJWUHLWJOL-UHFFFAOYSA-N 365.459 1.496 50 40 FDGB O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1ccc(C(=O)O)cc1 59499277 DGZJHJMLVHSRAW-RQZCQDPDSA-N 372.293 1.894 50 40 FDGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)c1 408961172 BCXGEILKKBNTKA-NHDPSOOVSA-N 370.409 1.146 50 40 FDGB O=C(NCc1ccco1)C(=O)NNC(=O)c1ccc(Br)cc1 15180409 ARQGSNMIORSXMO-UHFFFAOYSA-N 366.171 1.120 50 40 FDGB O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1 33900327 RUWHKURQFQKZJD-UHFFFAOYSA-N 362.321 1.117 50 40 FDGB CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(B(O)O)cc2)[nH]1 203891974 RDZJPRWALABONP-HNNXBMFYSA-N 357.219 1.829 50 40 FDGB COC(=O)Cn1cc(/C=C(/C#N)C(=O)N2CCOCC2)c2ccccc21 13124089 DJNKLJHRLLEVRG-UVTDQMKNSA-N 353.378 1.580 50 40 FDGB Cc1cc(C)n2ncc(C(=O)NNC(=O)COc3ccccc3Cl)c2n1 32794843 LCGOWEQDRGGNDM-UHFFFAOYSA-N 373.800 1.840 50 40 FDGB NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 4905664 KGUMDDOPJAFALZ-KRWDZBQOSA-N 352.394 1.995 50 40 FDGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1 7813056 WBOPNLUBTGINEG-CAOOACKPSA-N 370.203 1.306 50 40 FDGB O=C(NN=C1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 7932708 ATUMPVGMJVDIDB-UHFFFAOYSA-N 351.428 1.367 50 40 FDGB NC(=O)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 408892672 DJUCAAYSOCCYDS-CXUHLZMHSA-N 364.339 1.365 50 40 FDGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1 58884832 PTKYCXMIQASZNY-YBFXNURJSA-N 355.350 1.658 50 40 FDGB O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 101306322 VDNVVYDQUMLAKQ-VGNHOVESSA-N 362.835 1.666 50 40 FDGB Cc1cc(C)cc(O[C@@H](C)C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)c1 4392883 SZFGYOAJMHZPPQ-UONOGXRCSA-N 368.455 1.043 50 40 FDGB COc1ccc(C(=O)NNC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 6719452 ZKNCCFJHKATCPD-UHFFFAOYSA-N 366.377 1.639 50 40 FDGB CS(=O)(=O)[C@H](I)[C@H](O)c1ccc([N+](=O)[O-])cc1 96519164 SSYMDSOEQFXBPN-BDAKNGLRSA-N 371.152 1.434 50 40 FDGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc2c(c1)OCCO2 5682723 DCCFJUKJCDOSFA-FYJGNVAPSA-N 353.378 1.267 50 40 FDGB COc1cccc(-n2c(CC(=O)NN)cs/c2=N\Cc2ccco2)c1 4460181 BODOHZNIGJRCHW-ZPHPHTNESA-N 358.423 1.774 50 40 FDGB O=C(NNC(=O)c1cnn(-c2ccccc2)n1)c1ccc2c(c1)OCO2 12687585 FBBUDWPLIODFCX-UHFFFAOYSA-N 351.322 1.071 50 40 FDGB COCCNC(=O)CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 59515338 UNBZGNRFIRQKMR-HYARGMPZSA-N 369.421 1.868 50 40 FDGB O=C(NCc1ccc(N2CCOCC2)nc1)NNC(=O)c1ccccc1 12972916 LPYDUEGOSVSTRZ-UHFFFAOYSA-N 355.398 1.062 50 40 FDGB Cc1c(C(=O)NNC(=O)CNC(=O)Cc2ccccc2)oc2ccccc12 12971860 OBVSYVIUUXWEIA-UHFFFAOYSA-N 365.389 1.861 50 40 FDGB Cc1cc[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2ccncc2)cc1C 6167678 WZTZUPLIFJWSEG-UHFFFAOYSA-O 354.415 1.489 50 40 FDGB CCCc1c(C(=O)N/N=C(\CC)c2ccccc2)nnn1-c1nonc1N 5478072 FLOBRVURNVHYSE-XDHOZWIPSA-N 368.401 1.729 50 40 FDGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)Cn1c(=O)oc2ccccc21 6509891 AZLCZJMCVPHELX-UHFFFAOYSA-N 364.361 1.466 50 40 FDGB O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc2c(c1)OCO2 30791463 ZNRQDPSNGNIKEW-BNTCPTTBSA-N 351.362 1.395 50 40 FDGB Cc1cc(C)cc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1 6825781 ZGVGHJUYTKSFHT-AUOOEQCUSA-N 374.437 1.965 50 40 FDGB CCc1ccc[n+](-c2[nH]c(=O)sc2/C=N\NC(=O)c2cccnc2)c1 15899709 ODXPCYVJXUMXHI-UHFFFAOYSA-O 354.415 1.434 50 40 FDGB CCCCNC1=C(C(=O)OCC)/C(=N/NC(=O)c2ccccc2O)CO1 17198022 SITHJXXPVWLOQI-DEDYPNTBSA-N 361.398 1.673 50 40 FDGB Cn1c(SCC(=O)NNC(=O)c2cccs2)nnc1-c1ccncc1 4698047 JSEHMJFWKQUIKG-UHFFFAOYSA-N 374.451 1.492 50 40 FDGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)c2cccs2)c2ccccc21 5563674 XHGSJDCIGOWSEV-PGMHBOJBSA-N 370.434 1.753 50 40 FDGB Cc1onc(-c2ccccc2)c1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 25042756 LIDRDWJQFQLZEL-AWEZNQCLSA-N 363.439 1.756 50 40 FDGB COc1cc(/C=N/NC(=O)[C@@H]2C=NNC2=O)ccc1OCc1ccccc1 100948855 GKJPQLPEPMZBJD-VYXQJKENSA-N 366.377 1.456 50 40 FDGB C[C@@](CC(=O)NNC(=O)c1n[nH]c2c1CCCC2)(C(=O)O)c1ccccc1 10171145 TWDYZRZCJAVDFS-IBGZPJMESA-N 370.409 1.482 50 40 FDGB CCOc1ccc(C(=O)NNC(=O)c2ccc(N3CCOCC3)cc2)cc1 58426442 HSJPGLHRJYKXJB-UHFFFAOYSA-N 369.421 1.997 50 40 FDGB CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@@H]3c1ccncc1 15084563 TZCDGXPWSAKUOX-VIFPVBQESA-N 352.379 1.639 50 40 FDGB NNC(=O)c1cn(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc12 216935111 GBKXUFYCRFEBQH-UHFFFAOYSA-N 354.322 1.872 50 40 FDGB O=C(O)CCC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1 1085637 OSWBHCLDXSWKLL-YBFXNURJSA-N 355.350 1.959 50 40 FDGB CN(C)c1cccc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)c1 22629941 ZFEKKKQOLNQOSO-UHFFFAOYSA-N 351.362 1.934 50 40 FDGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NN)C2CCCCC2)c(C)c1 8333501 CJAOKDLKGUKUAI-UHFFFAOYSA-N 353.488 1.925 50 40 FDGB C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)C(=O)N1CCCC1 100059579 DOSSVOPTCQCKAX-UDWIEESQSA-N 364.833 1.461 50 40 FDGB NNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 223467450 RMYWGVLJNKAUAI-UHFFFAOYSA-N 371.821 1.660 50 40 FDGB COc1cccc(/C=C2/SC(=S)N(/C=C(\C#N)C(N)=O)C2=O)c1O 17223308 LHRUSAJUQRBIOC-SWTGVTSMSA-N 361.404 1.495 50 40 FDGB CCOC(=O)N1CC=C2[C@H](C1)[C@H](c1ccncc1)C(C#N)=C(N)C2(C#N)C#N 668910 IKPJXQGZGOLDGX-DOTOQJQBSA-N 374.404 1.963 50 40 FDGB COc1ccc(S(=O)(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 829218 LUVHLAZZAGYVBN-UHFFFAOYSA-N 365.367 1.156 50 40 FDGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)Cc1csc(N)n1 100519307 ZWUNTRAJXPORAK-SRZZPIQSSA-N 374.470 1.855 50 40 FDGB CCCc1noc(CCC(=O)NNC(=O)Cc2ccc(Cl)cc2)n1 28424851 CESOUOJKEAOXHI-UHFFFAOYSA-N 350.806 1.998 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3[nH]c2=O)cc1C 11554702 PKSWKGFFUDLGOJ-UHFFFAOYSA-N 365.389 1.985 50 40 FDGB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1 6648222 ZKLZLZSDSBIXEB-MRXNPFEDSA-N 371.462 1.999 50 40 FDGB Cc1[nH]c(=O)[nH]c(=O)c1/C=N/NC(=O)CCc1ccc(OC(C)C)cc1 862665 OYGCQRDQFFCEBA-VXLYETTFSA-N 358.398 1.242 50 40 FDGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)/C=C/c1ccco1 15379380 FIDIZFVHRRVCHA-SNAWJCMRSA-N 362.411 1.356 50 40 FDGB COc1ccc(Br)cc1/C=N/NC(=O)Cc1nnc(N)s1 5360896 LHMNSLYPYJGXLD-GIDUJCDVSA-N 370.232 1.584 50 40 FDGB CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(Br)o2)C1 40158816 SQUNQTQDSRLKOL-JTQLQIEISA-N 358.236 1.925 50 40 FDGB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1ccncc1 32975389 ASWGDGBNMOUXLS-OAHLLOKOSA-N 358.373 1.436 50 40 FDGB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)OC(=O)[C@@H]12 100693907 IQWDOEXTRZOIDG-ZRTPLJNASA-N 361.992 1.963 50 40 FDGB CCc1cccc2c1NC(=O)/C2=N\NC(=O)c1nc2ccccc2c(=O)[nH]1 12602217 NCSKWPPURWVWIF-UHFFFAOYSA-N 361.361 1.572 50 40 FDGB O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1ccc(=O)[nH]n1 14111162 GTJCYIDLFAXESZ-UHFFFAOYSA-N 373.221 1.630 50 40 FDGB COc1cc(OC)cc(C(=O)NNC(=O)CCOc2ccccc2OC)c1 5937411 WBHFRZOJUOUEBU-UHFFFAOYSA-N 374.393 1.943 50 40 FDGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1C 225586141 ILDDOMJAFVZHTL-AUOOEQCUSA-N 372.421 1.741 50 40 FDGB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\NCCBr 101053894 QYRKBVCZEBBMMD-FLIBITNWSA-N 352.188 1.133 50 40 FDGB CCN1C(=O)/C(=N\NC(=O)CNc2ccc(OC)cc2)c2ccccc21 102375681 HHFGHLLOKIPVBK-PYCFMQQDSA-N 352.394 1.994 50 40 FDGB CC(=O)NNC(=S)N/C=C(/C(C)=O)C(=O)Nc1ccc(Cl)cc1 8665304 KRBOXJNCEAKQLF-GHXNOFRVSA-N 354.819 1.267 50 40 FDGB Cc1cc2c(c(=O)o1)[C@@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)O2 2587194 JYGXKWCCBLHKGD-HNNXBMFYSA-N 353.334 1.031 50 40 FDGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)NC[C@@H]2CCCO2)c1 101510738 JVEHJQWDVKBWEK-PVGUKEHMSA-N 363.414 1.495 50 40 FDGB NC(=O)N/N=C1\c2ccccc2-c2c(C(=O)N3CCOCC3)cccc21 103591980 HIUNCIUOIFNNKH-HEHNFIMWSA-N 350.378 1.560 50 40 FDGB COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NN)c(OC)c1 4042957 IPOPVOOVCIQYNL-HNNXBMFYSA-N 358.398 1.427 50 40 FDGB biogenic COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc3c(c2)OCO3)C1=O 9061215 ZTIWGIFCJLIZFP-ZROIWOOFSA-N 355.350 1.566 50 40 FDGB O=C(NNc1nc(N2CCCC2)nc(N2CCCC2)n1)c1ccccc1 17379928 DAPLKQBIXQUMKZ-UHFFFAOYSA-N 353.430 1.829 50 40 FDGB C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C 58911448 ANXBTHNFJUOIGM-CIAFOILYSA-N 354.410 1.855 50 40 FDGB CN1CCC(=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1 20209354 JDNYOVRVOFYJEL-UHFFFAOYSA-N 372.878 1.304 50 40 FDGB CCOc1ccc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)cc1 5205709 OCRSRPWBCHJNCV-UHFFFAOYSA-N 353.444 1.898 50 40 FDGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2F)o1 8011256 LIYAVBNMLFRBOR-SNVBAGLBSA-N 366.370 1.281 50 40 FDGB O=CC[C@]12CC(=O)O[C@H](C1)[C@@H](I)CC21OCCO1 5600059 SQTGZVRXPZKCRG-IQJOONFLSA-N 366.151 1.218 50 40 FDGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3nonc3N)c2C)cc1 12445275 GQEQDGBVDUZRQM-OCKHKDLRSA-N 354.370 1.832 50 40 FDGB COc1ccccc1C(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 669861 CHMXNXBZKYAZDP-UHFFFAOYSA-N 351.340 1.227 50 40 FDGB CS(=O)(=O)N1CCN(C(=O)CCCC[C@H]2CCSS2)CC1 47615927 ZOJICLGOETZBQI-LBPRGKRZSA-N 352.547 1.804 50 40 FDGB O=C(COC(=O)/C=C/c1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 6053671 XWQZGQQFJHANSA-IZZDOVSWSA-N 369.333 1.612 50 40 FDGB CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1 9422877 VHEPAUMSZQSNDT-KWZJRMENSA-N 371.418 1.378 50 40 FDGB CCOc1ccc(/C(C)=N/NC(=O)CC2(C)OCCO2)cc1[N+](=O)[O-] 408953562 MDIKZPKIRUXYSM-GZTJUZNOSA-N 351.359 1.987 50 40 FDGB Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1 8204845 NLOYVWGDYZFFEM-CQSZACIVSA-N 355.369 1.948 50 40 FDGB COc1cccc([C@@H]2[C@@H]3CN(C(N)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 20791222 ZUPOMIKXLYWMIL-IAGOWNOFSA-N 374.404 1.499 50 40 FDGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)CCc1c[nH]c2ccccc12 5381501 NVSPIAVJSAREKD-YBFXNURJSA-N 355.358 1.793 50 40 FDGB O=C(CNC(=O)c1cccs1)NNC(=O)c1ccccc1-n1cccc1 6509414 WQHMUZRELYNLQK-UHFFFAOYSA-N 368.418 1.730 50 40 FDGB CN(C)N(C(=O)/C=C/c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 32743386 GWCYFKKSHGKTKX-LJLILKBBSA-N 374.409 1.794 50 40 FDGB Cc1cc(Cl)ccc1N1C(=O)C[C@@H](NNC(=O)c2cccnc2)C1=O 100119202 QMFJXSINIXYHGZ-CYBMUJFWSA-N 358.785 1.610 50 40 FDGB CN1CC[C@@H](C(=O)NNC(=O)c2ccccc2Br)CC1=O 44286364 OQQXEUMDPIKETB-SECBINFHSA-N 354.204 1.079 50 40 FDGB COc1ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c(OC)c1 4551454 NIOVJEHZKLTBSV-YBFXNURJSA-N 351.403 1.085 50 40 FDGB Cc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)cc1 7131580 SJGYHRDSVCCBPS-UHFFFAOYSA-N 356.407 1.804 50 40 FDGB CC(=O)NCCCCCC(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C 71869697 ROZULLNTDYJRJG-OAHLLOKOSA-N 363.458 1.915 50 40 FDGB COc1ccc(-c2n[nH]c(-c3ccccc3NC(=O)NN)nc2=O)cc1 32815339 FNQABFCXRQIORQ-UHFFFAOYSA-N 352.354 1.503 50 40 FDGB Cn1cc(C(=O)NNC(=O)c2cnc3sccn3c2=O)c2ccccc21 12516615 OPAFJBFHSUTBMB-UHFFFAOYSA-N 367.390 1.323 50 40 FDGB C/C(CC(=O)Nc1ccc(F)cc1F)=N\NC(=O)C(=O)N1CCCCC1 100059392 MLKPMLVFRSDXRR-SRZZPIQSSA-N 366.368 1.798 50 40 FDGB COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccncc2)cc1OC 59459626 WOCSJIGPJOSIRW-LPYMAVHISA-N 370.409 1.298 50 40 FDGB CCCC/C(CC)=N\NC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 4579317 BDUOVKCOOAUDBS-ATVHPVEESA-N 370.431 1.946 50 40 FDGB COc1ccc(C(=O)N/N=C(\N)c2cc3cc(OC)ccc3oc2=O)cc1 6181828 MWKVCFNYEIOWKB-UHFFFAOYSA-N 367.361 1.861 50 40 FDGB O=C(CCCC(=O)N/N=C/c1cccc(O)c1)N/N=C/c1cccc(O)c1 1691834 DYIPYWSQCROVSJ-ZIOPAAQOSA-N 368.393 1.869 50 40 FDGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCC(N)=O 6960686 KYWZKWARZSBGCF-VXLYETTFSA-N 361.423 1.704 50 40 FDGB COc1ccc(/C=C/C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1 7942937 YRKRRZVRGHNIGU-FMIVXFBMSA-N 364.405 1.985 50 40 FDGB COC(=O)COc1cccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1 408840544 GSBRSWAIQMMVEF-YEWRBRKMSA-N 370.361 1.529 50 40 FDGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(OC)c2)s1 408730125 FPKSDZMBZORFNS-LZYBPNLTSA-N 363.399 1.294 50 40 FDGB O=C(NN=C1CCC(=NNC(=O)c2cccnc2)CC1)c1cccnc1 820219 PMYDHIFTCQGYJB-UHFFFAOYSA-N 350.382 1.922 50 40 FDGB O=C(CP(=O)(c1ccccc1)c1ccccc1)NNC(=O)C(F)(F)F 100052865 WAVLJMXWOSPKHD-UHFFFAOYSA-N 370.267 1.710 50 40 FDGB C[C@@H](Sc1nnc(N)s1)C(=O)NNC(=O)c1cccc(Cl)c1 8130619 RFODMGCRHPTFCU-ZCFIWIBFSA-N 357.848 1.716 50 40 FDGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1 2404963 FMMDYAVGXHBOHG-RGVLZGJSSA-N 370.390 1.753 50 40 FDGB Cc1nonc1C(=O)N/N=C/c1cccc(I)c1 9426208 ZGDDITIUEMOWTA-AWNIVKPZSA-N 356.123 1.747 50 40 FDGB COc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)O)c2)cc1OC 409313010 AWHKDOQEAXERTH-GRSHGNNSSA-N 358.350 1.931 50 40 FDGB COc1cc(OC)c(OC)cc1CNC(=O)NNC(=O)c1ccccc1 32795421 XCDAQBBRHKCIPS-UHFFFAOYSA-N 359.382 1.857 50 40 FDGB CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(CCO)c(=O)c21 4851047 JHQSMORROMCSNU-KRWDZBQOSA-N 367.405 1.766 50 40 FDGB O=C(COc1ccc(-n2cnnn2)cc1)N/N=C/c1c[nH]c2ccccc12 2319646 QEOMIVDWSVUEHJ-KEBDBYFISA-N 361.365 1.673 50 40 FDGB Cc1occc1C(=O)NNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 9478225 XEQIOWBMWGNPLF-MBNYWOFBSA-N 366.443 1.075 50 40 FDGB CN(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccc(Cl)cc1 8042754 WBDVNESPIJAFEV-VCHYOVAHSA-N 366.830 1.506 50 40 FDGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](O)[C@H]3Br)[C@H]2C(=O)N1Cc1ccccc1 100176445 ODNUEARIKRPROV-ARFNZGECSA-N 350.212 1.562 50 40 FDGB C/C(CC(=O)NCc1ccc(F)cc1)=N\NC(=O)C(=O)Nc1ccccn1 100090584 VHJPNTXLNUFSMK-FSJBWODESA-N 371.372 1.358 50 40 FDGB COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c1 829219 IMSIZFUTWUQPKQ-UHFFFAOYSA-N 354.359 1.466 50 40 FDGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c1 59960015 YLPSIYWPUDQELJ-UFFVCSGVSA-N 368.393 1.256 50 40 FDGB COc1cc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc(OC)c1OC 3397252 FEMSCSWMUARHDX-UHFFFAOYSA-N 355.350 1.659 50 40 FDGB Nc1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)ccc1Cl 13985371 WVNMIQMDEHCDOA-UHFFFAOYSA-N 353.787 1.602 50 40 FDGB C[C@@]1(C(=O)NNC(=O)[C@]2(C)C[C@H]2Br)C[C@@H]1Br 4565244 CDNSNKYVQJZYJO-MLTZYSBQSA-N 354.042 1.481 50 40 FDGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(O)c([N+](=O)[O-])c1 409182139 IICJEXSVGVKYRM-QGMBQPNBSA-N 373.321 1.731 50 40 FDGB COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCC(=O)O 5661107 OMWCIPYBHHNJQU-OMCISZLKSA-N 370.159 1.285 50 40 FDGB CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccn2)c2ccccc21 4548495 YLNHOZALKSJUCL-QJOMJCCJSA-N 365.393 1.087 50 40 FDGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)c1 4851051 GLGCGKDGWVHDTJ-INIZCTEOSA-N 353.378 1.376 50 40 FDGB O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1CC=CCC1 8747674 QQJXCGLIOVMSMV-KRWDZBQOSA-N 356.470 1.702 50 40 FDGB COc1cc(/C=N/NC(=O)Cn2nccc2C)cc(Br)c1O 2220791 ZINYUWJFHXISQO-FRKPEAEDSA-N 367.203 1.819 50 40 FDGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2c[nH]c3ccccc23)s1 408732495 VUBPYUOSGSGGSK-GIJQJNRQSA-N 372.410 2.281 50 40 FDGB Cn1cc(Br)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)n1 888139 PPVKBOCYBDEUSC-UHFFFAOYSA-N 371.622 1.840 50 40 FDGB COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1Br 408735793 WXCAKMAFVSATAD-CXUHLZMHSA-N 356.220 1.240 50 40 FDGB O=S(=O)(O)C[C@H]1CSSC[C@H](CS(=O)(=O)O)SS1 9090186 CBHYORIGHCURGO-PHDIDXHHSA-N 372.558 1.276 50 40 FDGB biogenic O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccccc1 408536101 PRKGBWQFACYQGR-PXCRFOFESA-N 368.393 1.285 50 40 FDGB NC(=O)N/N=C1/[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@](F)([C@H]24)[C@@H]5I 261361223 MBGUCZDUDAPKPA-CHPDKQGOSA-N 361.158 1.294 50 40 FDGB N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)C(=O)N1CCOCC1 13424478 CCPMUMBTBMROAI-GHXNOFRVSA-N 350.758 1.569 50 40 FDGB COC(=O)CCCNC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2 18139634 JMSPNYLZVIHOKY-UHFFFAOYSA-N 353.488 1.651 50 40 FDGB CCOC(=O)CC1=C(C#N)[C@H](c2cccnc2)C(C(=O)OCC)=C(N)O1 715119 DNBKYYNDOFWJRK-HNNXBMFYSA-N 357.366 1.660 50 40 FDGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2nonc2N)o1 3033940 NTOQDRBNOQPIRS-REZTVBANSA-N 372.297 1.593 50 40 FDGB CCOC(=O)N1CC=C2[C@@H](C1)[C@H](c1ccncc1)C(C#N)=C(N)C2(C#N)C#N 668907 IKPJXQGZGOLDGX-NVXWUHKLSA-N 374.404 1.963 50 40 FDGB COc1ccc(C(=O)NNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 12557271 ACZYKWVDGRDLON-UHFFFAOYSA-N 363.395 1.142 50 40 FDGB COC(=O)c1ccc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)cc1 4412365 OLYVPAGJSHYMAH-UFFVCSGVSA-N 357.341 1.492 50 40 FDGB CCC(O)(CC)C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 4553025 PYQJDSZELZFXBP-UHFFFAOYSA-N 354.204 1.773 50 40 FDGB O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)Oc1ccc(-n2cccc2)cc1 575422968 FCHVZEPMQQLLDF-ZIAGYGMSSA-N 354.815 1.970 50 40 FDGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(N)=O)cc1OC 13747169 AIDZZEXPUZDUSW-KEBDBYFISA-N 372.381 1.724 50 40 FDGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(C)cc2)cc1OC 5543168 DVUOMFAHDNGQEL-LPYMAVHISA-N 369.421 1.821 50 40 FDGB COc1ccccc1NCC(=O)NNC(=O)c1cc(C)nc2onc(C)c12 32883662 RJVLIKFLMIZFST-UHFFFAOYSA-N 369.381 1.721 50 40 FDGB NC(=O)NCc1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1 22248347 ZMEVQUAFFQBDQI-UHFFFAOYSA-N 351.366 1.411 50 40 FDGB N#C/C(C(=O)CSc1n[nH]c(=O)n1C1CC1)=C1\NN=C2CCCCCN21 105075407 JWZBVMVPDCOLFV-KAMYIIQDSA-N 373.442 1.095 50 40 FDGB COC(=O)CSSC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1870695 IJVAOMFVYUGMSN-LLVKDONJSA-N 359.425 1.920 50 40 FDGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)Cc2ccccc2)cc1 2551618 JVWSNVJXFZOVOC-FMIVXFBMSA-N 369.446 1.973 50 40 FDGB O=C(NNC(=O)c1c[nH]c2ccccc12)c1cn(Cc2ccccc2)nn1 12740670 NOBHXUMRSZLXBO-UHFFFAOYSA-N 360.377 1.883 50 40 FDGB O=C(NNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)c1ccccc1O 12792966 YJWZDMVLJPMKMG-UHFFFAOYSA-N 370.770 1.367 50 40 FDGB C#CCOc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1OC 59246772 YJCISSFTZSNHIZ-ODLFYWEKSA-N 365.817 1.143 50 40 FDGB O=C(NNC(=O)c1ccc(OCc2ccccc2)cc1)C1=COCCO1 9255639 NRMUBHZDHOQCFL-UHFFFAOYSA-N 354.362 1.915 50 40 FDGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc2n[nH]c(=O)n2c1 95447503 MGECPJMMAGNFKD-UHFFFAOYSA-N 369.425 1.390 50 40 FDGB O=C(O)/C=C/C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 4545279 QHGRHRSJVZNNQM-ZHACJKMWSA-N 359.382 1.607 50 40 FDGB Cc1onc(-c2ccccc2)c1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 25042749 LIDRDWJQFQLZEL-CQSZACIVSA-N 363.439 1.756 50 40 FDGB Cc1cc(C)nc(N2CCC[C@H](C(=O)NNC(=O)c3ccncc3)C2)n1 4967842 VNGCICOCTQRSTE-HNNXBMFYSA-N 354.414 1.166 50 40 FDGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 6647798 FAFURLHMQCPYGK-CAOOACKPSA-N 372.219 1.530 50 40 FDGB C=CCN1C(=O)/C(=N/NC(=O)COc2ccccc2C#N)c2ccccc21 102976389 LDTOHIAJXXGLHP-FCDQGJHFSA-N 360.373 1.990 50 40 FDGB C/C(=N/NC(=O)C(N)=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 55080809 CPQGVKDWHTVOOE-FBHDLOMBSA-N 358.785 1.918 50 40 FDGB COc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 68933316 UDKFRHHCCWBOFI-ZDUSSCGKSA-N 353.378 1.509 50 40 FDGB Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)/C=C/C(=O)O 4674976 RQMCEKYUSWHLSD-BQYQJAHWSA-N 353.762 1.155 50 40 FDGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccco2)c1-c1ccccc1 8406616 DDYHZRUNCFMIMI-GIJQJNRQSA-N 364.325 1.256 50 40 FDGB CCOC(=O)COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 8569127 ZMKPNWHNUZOANO-MRXNPFEDSA-N 354.366 1.878 50 40 FDGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccn1 5391101 WKYDIJQGRUHAMP-XDHOZWIPSA-N 355.354 1.590 50 40 FDGB O=C(COc1ccccc1)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12376766 GUAUCFWNQCWHBQ-UHFFFAOYSA-N 360.282 1.343 50 40 FDGB O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccc(F)cc1 12919305 YSJVMNJAFZGSPV-UHFFFAOYSA-N 354.341 1.456 50 40 FDGB O=C(COc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 5569931 LWKZPFNKOMNRTD-OLZOCXBDSA-N 354.790 1.757 50 40 FDGB COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)O)cc1OC 95471867 SDBNPTKSKFCVKB-GRSHGNNSSA-N 371.349 1.491 50 40 FDGB CC(C)[C@@]12NC(=O)[C@](C#N)(C(C#N)=C(I)N1)C2(C)C 100248789 DFCFPXHEGWFHHM-STQMWFEESA-N 370.194 1.778 50 40 FDGB CCN(CC)CN1C(=O)/C(=N/NC(=O)c2ccncc2)c2ccccc21 100191359 DLNCMKRUHYHIHL-HEHNFIMWSA-N 351.410 1.862 50 40 FDGB COc1cccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3OC)C2=O)c1 101467721 VDZMQQIAGXNUIL-OAHLLOKOSA-N 369.377 1.270 50 40 FDGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCC(N)=O)cc1 808934 LAFKHAQPLCPLME-MRXNPFEDSA-N 357.366 1.195 50 40 FDGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCn1cnc([N+](=O)[O-])c1 12544631 PWZYRYIHNHJQPX-UHFFFAOYSA-N 367.749 1.305 50 40 FDGB CCNC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1 6953792 KVAAQTAMZOTUFY-FRKPEAEDSA-N 358.192 1.140 50 40 FDGB CC(=O)N1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21 2437774 AJQQANMDVBMWRE-LJQANCHMSA-N 363.329 1.214 50 40 FDGB N#Cc1ccc(OCC(=O)NNC(=O)COc2ccccc2Cl)cc1 2662514 FFAGLSDOAOHRAP-UHFFFAOYSA-N 359.769 1.817 50 40 FDGB COc1cc(OC)cc(C(=O)NNC(=O)c2cc(=O)[nH]c3ccccc23)c1 12950677 YUDRDBUEKICFMF-UHFFFAOYSA-N 367.361 1.620 50 40 FDGB N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccc(Cl)c1Cl 4551066 KOMNQVQSODQZIQ-QMMMGPOBSA-N 351.149 1.588 50 40 FDGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(Br)s1 15899886 LYEDJPSTOXURIJ-ZETCQYMHSA-N 364.290 1.799 50 40 FDGB O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1F 68933371 LFCWNSJKQBDONZ-LLVKDONJSA-N 359.332 1.779 50 40 FDGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccncc1 1502369 QSSFWHCDVZHKES-YBFXNURJSA-N 366.406 1.878 50 40 FDGB CN(C)N(C(=O)c1csc(-c2cccs2)n1)[C@@H]1CCS(=O)(=O)C1 25042836 ZDYSAGHEYMUFMS-SNVBAGLBSA-N 371.509 1.978 50 40 FDGB COc1ccc(C(=O)NNC(=O)C(=O)Nc2cc(OC)ccc2OC)cc1 4838902 SGYFTUFPZJBRCM-UHFFFAOYSA-N 373.365 1.112 50 40 FDGB NNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 2396593 DCTHMDUMZKLGEK-AWEZNQCLSA-N 356.382 1.181 50 40 FDGB C[C@H](Oc1ccc(F)cc1)C(=O)NNS(=O)(=O)c1cccc(C#N)c1 7385261 ACIDYOCSAOFPNQ-NSHDSACASA-N 363.370 1.474 50 40 FDGB CC(C)=NNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 408784491 UBEGJTKUAXCFFP-UHFFFAOYSA-N 362.249 1.727 50 40 FDGB Cn1cc(Br)cc1C(=O)NNC(=O)CCNC(=O)C(C)(C)C 42659629 VXDSQEHUQFVFGF-UHFFFAOYSA-N 373.251 1.101 50 40 FDGB COC(=O)COc1cccc(/C=N/NC(=O)COc2ccccc2OC)c1 408833275 XIKRMYIMIXXEIU-RGVLZGJSSA-N 372.377 1.776 50 40 FDGB CC(C)[C@@H](Br)C(=O)NNC1=NS(=O)(=O)c2ccccc21 6263113 RSVXHMACCNXUJI-SNVBAGLBSA-N 360.233 1.176 50 40 FDGB CCn1ncc(/C=N/NC(=O)Cn2nc(C)c(Br)c2C)c1F 252484831 GJCDLQQQGPXKJK-FZSIALSZSA-N 371.214 1.768 50 40 FDGB O=S1(=O)C[C@H](NC(=S)Nc2nc3ccccc3s2)[C@@H](Cl)C1 575422177 AETUQGRQZPQPRE-CBAPKCEASA-N 361.901 1.987 50 40 FDGB O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc2c(c1)OCCO2 3382449 IHVKQQFDHDHVMJ-UHFFFAOYSA-N 362.769 1.951 50 40 FDGB CC(C)=NO[C@H]1NC(Br)=C(C#N)[C@](C#N)(C(N)=O)C1(C)C 22134165 DERZXBAGGHGNQM-DGCLKSJQSA-N 354.208 1.480 50 40 FDGB C/C(N)=C(\C#N)C(=O)COC(=O)CCNC(=O)CCC(=O)c1ccccc1 105034948 UKPCPUQKFOAORQ-SQFISAMPSA-N 371.393 1.024 50 40 FDGB C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-n2cccn2)nc1 13011776 WHBCGUHOHHAQNI-LBPRGKRZSA-N 369.356 1.635 50 40 FDGB COc1ccccc1OCC(=O)NNC(=O)Cc1c[nH]c2ccccc12 14234039 HMMLMHDOABZODE-UHFFFAOYSA-N 353.378 1.945 50 40 FDGB CCCn1nc(C(=O)NNC(=O)Cc2cccs2)c2ccccc2c1=O 6929875 LHACGZFXDNNVCK-UHFFFAOYSA-N 370.434 1.872 50 40 FDGB NCCOCCOCCOCCOCCOCCCCCCCl 1777699080 PPGFKRLCLUQKRT-UHFFFAOYSA-N 355.903 1.827 50 40 FDGB N#C/C(=C\N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)C(N)=O 1637386 RLQJGAUFWKPWTJ-WSIYXSMXSA-N 360.376 1.689 50 40 FDGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1OC 1255432 DCDFOMMVBREIBL-CQSZACIVSA-N 360.366 1.967 50 40 FDGB CC(=O)OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O 103780555 ADYVWQTWJMTAJD-UHFFFAOYSA-N 373.384 1.588 50 40 FDGB Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3F)CC2=O)cc1 8273718 DYYHGVQJNIUZLI-ZDUSSCGKSA-N 355.369 1.948 50 40 FDGB COc1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 59459783 CVIKUBLPBAHLHH-WOJGMQOQSA-N 362.386 1.893 50 40 FDGB COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)NC(C)=C2C#N)c(OC)c1 5557270 QXGGISYCNWROEH-OAHLLOKOSA-N 369.299 1.662 50 40 FDGB C[C@@H]1[C@@H](NNC(N)=O)Oc2cc3c(cc2[C@H]1c1ccccc1O)OCO3 5956735 ICISIXUOSAGJCL-OCAXQNDTSA-N 357.366 1.780 50 40 FDGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1 59515498 CIZMCOAMXFZFRJ-FYJGNVAPSA-N 355.394 1.478 50 40 FDGB O=C(CCCC(=O)NNC(=O)Cc1ccccc1)NCc1ccccn1 4749193 KNAXVDSGAXOHMR-UHFFFAOYSA-N 354.410 1.258 50 40 FDGB CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCC(=O)N(C)C 7893107 NQJKFTLVFVFTSM-CIAFOILYSA-N 370.409 1.711 50 40 FDGB Cc1cc(OCC(=O)NNC(=O)C(=O)NCC(C)C)cc(C)c1Cl 5924567 HTXLMDQWHRTTIX-UHFFFAOYSA-N 355.822 1.255 50 40 FDGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(OC)ccc2OC)cc1 5513716 UPYOQNBBFIUQQM-CIAFOILYSA-N 371.393 1.479 50 40 FDGB Cc1ccc(OCC(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)c(C)c1 6485587 VOPVZFTUVMKWDZ-LZYBPNLTSA-N 352.368 1.672 50 40 FDGB COc1ccccc1C(=O)NC(=S)NNC(=O)CCc1ccccc1 8495930 ZPPUQGJOZYJIKP-UHFFFAOYSA-N 357.435 1.964 50 40 FDGB Nc1nonc1CC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1 100426386 UCYPJCNLWYXTNJ-JAIQZWGSSA-N 351.366 1.924 50 40 FDGB O=C(NNC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)c1ccco1 25336733 UOGWTXCKQVSYBC-UHFFFAOYSA-N 363.292 1.452 50 40 FDGB Cc1ccccc1N1/C(=N\C(=O)CCl)S[C@H]2CS(=O)(=O)C[C@@H]21 101312173 NCHLRSBREKEERR-DDGKQPTKSA-N 358.872 1.835 50 40 FDGB C/C(=N/NC(=O)c1cc(O)ccc1O)c1cccc(NS(C)(=O)=O)c1 17074724 MJHYCCARCXASGV-YVLHZVERSA-N 363.395 1.623 50 40 FDGB N[C@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(=O)O 1675894 NFPHAUIPMMUEFQ-MNOVXSKESA-N 374.440 1.159 50 40 FDGB CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 6720054 MPSGOQYESWIBJA-OAHLLOKOSA-N 354.366 1.742 50 40 FDGB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N/N=C/c1cccnc1 7015070 NCWCQDUIYRBYOJ-RGVLZGJSSA-N 366.402 1.894 50 40 FDGB Cc1sc2ncn(CC(=O)NNC(=O)OC(C)(C)C)c(=O)c2c1C 17398405 QZQPCNMUZYAJBI-UHFFFAOYSA-N 352.416 1.631 50 40 FDGB COc1ccc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)c(OC)c1 408775109 YZEQVZIISLRUAQ-UHFFFAOYSA-N 369.443 1.516 50 40 FDGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccccc1 408536100 PRKGBWQFACYQGR-IQZXVCFZSA-N 368.393 1.285 50 40 FDGB O=C(NCc1cccnc1)C(=O)N/N=C/c1cccc(Br)c1 3061895 QVYRUUVPBMVRTP-VXLYETTFSA-N 361.199 1.611 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)[C@H](c2ccncc2)N2CCOCC2)cc1 20057139 CTILFURKWKFVLM-OMNSNBSWSA-N 367.453 1.671 50 40 FDGB O=C(NNC(=O)[C@H]1CCCO1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 32258254 RVXOGIDXICETMH-KBOKABMXSA-N 371.437 1.265 50 40 FDGB COCCN1C(=O)C[C@@H](NNC(=O)c2ccc(Cl)cc2Cl)C1=O 102314230 YMLYZHBIADHUSR-LLVKDONJSA-N 360.197 1.002 50 40 FDGB C/C(CC(=O)Nc1ccc(C(N)=O)cc1)=N\NC(=O)c1ccccc1O 105412440 LVGLOLIZGAWFQY-SRZZPIQSSA-N 354.366 1.626 50 40 FDGB CN1CC[C@@H]2C(C#N)=C(N)C(C#N)(C#N)[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1 13511897 NXNKRNUHHFRMIT-URFZZILJSA-N 358.405 1.228 50 40 FDGB COc1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)c(Cl)c1 575420068 FFFCTSZEYNDNFC-ONGXEEELSA-N 353.227 1.875 50 40 FDGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)c1 2385778 GHTVGZAKYJQGPK-QGMBQPNBSA-N 370.373 1.128 50 40 FDGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl 5774773 MUMJSRIDACJUBJ-LICLKQGHSA-N 351.815 1.769 50 40 FDGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NNC(=O)C(F)(F)F 4180824 ROQZUOQWAFDKED-UHFFFAOYSA-N 363.295 1.864 50 40 FDGB CCn1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1ccco1 1368482 IOHAZXNQEYUTDU-UHFFFAOYSA-N 361.383 1.704 50 40 FDGB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1ccccc1O 10125696 GAQSYNQHRLTSHK-MRXNPFEDSA-N 361.442 1.874 50 40 FDGB Cc1cccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)n1 59474686 CXDNKNDZQNTYFB-AMRJIULGSA-N 372.450 1.693 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccccc1Cl 20493217 QKAMOXPRCANWOK-CXUHLZMHSA-N 355.803 1.849 50 40 FDGB CC(=O)Oc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19857301 SYOSJLJGNJHYSZ-RBUKOAKNSA-N 373.416 1.967 50 40 FDGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 409076422 AHEZKKRWRYDGNV-CNHKJKLMSA-N 371.305 1.745 50 40 FDGB O=C(Cl)[C@H]1CC(=O)N(c2cccc(N3C[C@@H](C(=O)Cl)CC3=O)c2)C1 100680489 FGDZIXPAUAANFF-UWVGGRQHSA-N 369.204 1.923 50 40 FDGB CN1CC[C@@H]2C(C#N)=C(N)C(C#N)(C#N)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1 4730327 NXNKRNUHHFRMIT-ASNKJTAVSA-N 358.405 1.228 50 40 FDGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Cl)c2)c1 409264302 OQTIABVALJYIRN-UKWGHVSLSA-N 361.785 1.977 50 40 FDGB Cc1cccc(C(=O)NNC(=O)c2c(O)n(C)c3ccccc3c2=O)c1 15913581 FYKLBJSSYOGUEU-UHFFFAOYSA-N 351.362 1.627 50 40 FDGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 35406321 HSSDQTYMAYLIGO-RQZCQDPDSA-N 367.325 1.104 50 40 FDGB Cc1ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 2134507 KSGJHOGXDFBOOF-UHFFFAOYSA-N 359.338 1.508 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1ccc(Cl)cc1 20209627 FRGOGNMTZVAJAO-VCHYOVAHSA-N 366.830 1.651 50 40 FDGB COCCNC(=O)/C(C#N)=C/c1ccccc1I 3240866 HVDKLYNJMDSWFZ-DHZHZOJOSA-N 356.163 1.961 50 40 FDGB COC(=O)CCC(=O)NNC(=O)COc1ccc(C)cc1Br 5681416 BYRUUFHDTSUGGY-UHFFFAOYSA-N 373.203 1.237 50 40 FDGB CCOC(=O)O[C@H](C)OC1=C(C=O)N(C)S(=O)(=O)c2ccccc21 390822645 FQBGCOQTINXBKP-SNVBAGLBSA-N 355.368 1.724 50 40 FDGB CN(C)N(C(=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 9154843 ZQEXSAJILQPIDT-GFCCVEGCSA-N 361.261 1.555 50 40 FDGB O=c1c2cc3ccccc3cc2c(=O)n2n1C[C@@H](O)[C@H](Br)C2 1872317 DFYPZEXLPPEIDU-ZIAGYGMSSA-N 361.195 1.454 50 40 FDGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1CCCC1 58914482 OMSSAIIRBYRLOO-WQRHYEAKSA-N 356.338 1.927 50 40 FDGB Cn1c(=O)c(C(=O)NNC(=O)c2ccccc2F)c(O)c2ccccc21 100551275 ZWHZSZXFNBURQC-UHFFFAOYSA-N 355.325 1.458 50 40 FDGB Cc1ccc(N2C(=O)NC(=O)/C(=C/NNC(=O)c3ccccc3)C2=O)cc1 36093457 GPMYKDNCPJEGBS-PTNGSMBKSA-N 364.361 1.396 50 40 FDGB Cc1ccccc1OCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 3553189 ZSPIKIBTUIKEHI-UHFFFAOYSA-N 366.377 1.082 50 40 FDGB O=C(NCc1ccco1)C(=O)NNC(=O)c1sccc1-n1cccc1 12943559 XEQQDQPHIPBXRC-UHFFFAOYSA-N 358.379 1.209 50 40 FDGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5295649 XNFGEGNJKKURSR-HDNGRYDWSA-N 364.490 1.823 50 40 FDGB CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)OC 7405504 HPCWSZMNVXTJTH-UHFFFAOYSA-N 353.194 1.397 50 40 FDGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(O)c([N+](=O)[O-])c1 409045494 YTWMGEVVCUQOAG-RQZCQDPDSA-N 374.309 1.910 50 40 FDGB CC[C@@H](C)c1ccccc1OCC(=O)NNS(=O)(=O)c1cn[nH]c1 75092749 PSFTXFXNXGIBEA-LLVKDONJSA-N 352.416 1.312 50 40 FDGB COc1ccc([C@@H](O)[C@H](I)S(C)(=O)=O)cc1 96519221 BHIDQPNBIFWIHQ-NXEZZACHSA-N 356.181 1.534 50 40 FDGB CC(C)CC(=O)NNC(=O)Cc1csc(NC(=O)c2ccco2)n1 10160686 VAUIVAFPAXJNOT-UHFFFAOYSA-N 350.400 1.724 50 40 FDGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(C)c1ccccc12 1757601 KUSGJQZNQWHNSX-LJQANCHMSA-N 351.362 1.628 50 40 FDGB CCn1c(=O)c(C(=O)NNC(=O)c2ccccc2)c(O)c2ccccc21 100551271 BLTDFUJGRDWESQ-UHFFFAOYSA-N 351.362 1.802 50 40 FDGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)ccc1OC 409316306 XGLQGOQSJTYIMW-NHDPSOOVSA-N 371.393 1.722 50 40 FDGB CN1CCN(c2cc3c(cc2NC(=O)CCCl)n(C)c(=O)n3C)CC1 408536392 WJZFWHDFYVGJAI-UHFFFAOYSA-N 365.865 1.196 50 40 FDGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)o1 408996178 ONNROVIVPIKLDF-DEDYPNTBSA-N 356.426 1.942 50 40 FDGB COc1ccc([C@@H]2C(C#N)=C(O)NC(=O)[C@H]2[n+]2ccccc2)cc1OC 4558326 JRQQEAHYYKEVAQ-SJORKVTESA-O 352.370 1.739 50 40 FDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1 14244885 RGMFIONEKUTSAU-UHFFFAOYSA-N 353.444 1.278 50 40 FDGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)CN3CCOCC3)c2C)cc1 409001930 YAHPAQPLOQBPDB-BKUYFWCQSA-N 370.453 1.885 50 40 FDGB COc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c1 46544015 XJIGGQTVEUAJNE-CQSZACIVSA-N 353.378 1.509 50 40 FDGB Cc1cc(F)ccc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 32906683 RRHQJAIEFFKYPW-UHFFFAOYSA-N 352.343 1.486 50 40 FDGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1C 38357650 XHTOMOZWNLCAQY-JMIUGGIZSA-N 369.377 1.856 50 40 FDGB CCOc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc1OC 38344165 SZMQERFDSJXPIL-HMAPJEAMSA-N 369.421 1.903 50 40 FDGB Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)o1 84374122 HEPUVROCRKQESM-HIFRSBDPSA-N 355.394 1.959 50 40 FDGB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccc(Cl)cc1 102259314 QFMAEQBZRBZKRQ-BETUJISGSA-N 361.785 1.052 50 40 FDGB CN1C(=O)/C(=N\NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 103916042 UHWIAQGZUJNASO-MOSHPQCFSA-N 351.288 1.399 50 40 FDGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 2286086 YIVLGSJJGSAMOJ-VXLYETTFSA-N 352.350 1.518 50 40 FDGB COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)NC(C)=C2C#N)c(OC)c1 5557273 QXGGISYCNWROEH-HNNXBMFYSA-N 369.299 1.662 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1ccc(F)cc1 20211837 LTUDPARYJUIHIJ-VCHYOVAHSA-N 350.375 1.137 50 40 FDGB COc1ccc(CC(=O)N/N=C\c2cn(CC(N)=O)c3ccccc23)cc1 35080046 BNIWTWMSEVNPRA-JJFYIABZSA-N 364.405 1.828 50 40 FDGB CCS(=O)(=O)[C@@H](I)C(=O)c1cccc(N)c1 96517958 NNVGRAYVDLHGGI-SNVBAGLBSA-N 353.181 1.647 50 40 FDGB COc1c(O)ccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)c1[N+](=O)[O-] 2294210 FGJVZAYRUFPPTA-GIJQJNRQSA-N 373.321 1.844 50 40 FDGB O=C(NNC1=NCCCN1)c1cc(Cl)nc(OCC(F)(F)F)c1 2380539 LNFHLYNLBOMXIS-UHFFFAOYSA-N 351.716 1.260 50 40 FDGB COc1ccc(/C=C(\NC(=O)c2ccc(OC)c(OC)c2)C(=O)NN)cc1 13785660 AVXGNERQPIZCJP-GDNBJRDFSA-N 371.393 1.473 50 40 FDGB O=C(N/N=C/c1ccco1)c1ccc(C(=O)N/N=C/c2ccco2)nc1 663391 NLJVHPKQLZBJGI-ROUMAOROSA-N 351.322 1.795 50 40 FDGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 2053585 DHMQZTPECNHMSK-VXLYETTFSA-N 355.350 1.903 50 40 FDGB CCn1c(NNC(=O)[C@H](C)NC(=O)c2ccco2)nc2ccccc2c1=O 11155907 XYQLICBENVQANL-NSHDSACASA-N 369.381 1.271 50 40 FDGB CC(C)=NNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 4502952 SROICOZMIHGDKD-UHFFFAOYSA-N 362.249 1.727 50 40 FDGB COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc3c(c2)CCC3)c1C 9483651 STIIIOSNMJZDIH-UHFFFAOYSA-N 355.394 1.982 50 40 FDGB C#CCCN(C)CC(=O)NNC(=O)COc1ccccc1-c1ccccc1 72284118 GSKOKBZDNUVUSC-UHFFFAOYSA-N 365.433 1.835 50 40 FDGB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccccc1[N+](=O)[O-] 408972488 CRQFTYYEGZUZED-GIJQJNRQSA-N 369.316 1.538 50 40 FDGB O=C(O)COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 35315104 SIIVJWFTXOMRRX-ZDLGFXPLSA-N 357.322 1.751 50 40 FDGB COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1[N+](=O)[O-] 33928090 XDQBEANNPYCTRN-NDENLUEZSA-N 370.365 1.760 50 40 FDGB CN(CC(=O)N/N=C/c1cccc(O)c1)S(=O)(=O)c1ccc(F)cc1 6356944 OMBALLHCABFNQR-VCHYOVAHSA-N 365.386 1.302 50 40 FDGB O=C(CSC(=S)N1CCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1 5287374 XEZHDWGAQDWJOW-UHFFFAOYSA-N 368.440 1.470 50 40 FDGB CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(OC)c(OC)c1 12784864 DLNILGQBKGEDSY-UHFFFAOYSA-N 374.393 1.943 50 40 FDGB COc1ccc(CC(=O)NNC(=O)[C@H](C)Oc2ccccc2)cc1OC 4577086 AIRBTVOEVOPZEG-ZDUSSCGKSA-N 358.394 1.861 50 40 FDGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1 408721808 ZEEWQRPSUWMRMD-UDWIEESQSA-N 369.377 1.945 50 40 FDGB CCN1CC=C2[C@H](C1)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)C2(C#N)C#N 34806570 QNFQWYOPIQOPBS-HRAATJIYSA-N 370.416 1.538 50 40 FDGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1C 102201829 ILDDOMJAFVZHTL-JBJRXJHCSA-N 372.421 1.741 50 40 FDGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCC2CCCC2)c1 8351482 HQURFZKHGNBHIU-UHFFFAOYSA-N 367.471 1.668 50 40 FDGB CC(C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2 28083075 TULSMQSTZIDIJN-CQSZACIVSA-N 366.487 1.861 50 40 FDGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)cc2)cc1C(=O)O 55562976 PTQXJLGDVGXNEV-UHFFFAOYSA-N 364.379 1.325 50 40 FDGB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)c1cccs1)C2=O 9378041 CYKGBRVUJXQHDS-QFYYESIMSA-N 364.427 1.010 50 40 FDGB Cc1cccc(OCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 6333135 GROVJGKEGCBBME-UHFFFAOYSA-N 366.377 1.082 50 40 FDGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)Cc2ccccc2)c2ccccc21 13597901 HHNMOILOMVZJCH-ZBJSNUHESA-N 365.389 1.659 50 40 FDGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCC)=C1C 4517025 WMFOZPIHZWYJSP-HXUWFJFHSA-N 365.389 1.876 50 40 FDGB COc1cc(C(=O)NNC(=O)Cc2ccccc2F)cc(OC)c1OC 2653920 WVTKQWQVWQLDFF-UHFFFAOYSA-N 362.357 1.855 50 40 FDGB C/C(=N\NC(=O)C[C@@H]1NC(Cc2ccccc2)=NNC1=O)c1ccco1 4729035 HIQZMMIDORSCAT-PVGUKEHMSA-N 353.382 1.154 50 40 FDGB CC(C)[C@H](Br)C(=O)NNC(=O)[C@]1(C)C[C@@H]1Br 4772906 GJWQREDBFAOCSH-MHYGZLNHSA-N 356.058 1.727 50 40 FDGB O=C(Cn1cnc2ccccc2c1=O)N/N=C\c1cccc([N+](=O)[O-])c1 31854493 NOFRTQNGXVYDJU-OCKHKDLRSA-N 351.322 1.455 50 40 FDGB COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1cc(F)ccc1F)C(F)(F)F 2769956 OPVRSWJJVWTBBW-GZMMTYOYSA-N 361.650 1.977 50 40 FDGB O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 101306333 VDNVVYDQUMLAKQ-JYVUULFMSA-N 362.835 1.666 50 40 FDGB CS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1O)C1CCCCC1 107598341 BZDDNTZALDWBFU-BOPFTXTBSA-N 353.444 1.437 50 40 FDGB O=C(CNC(=O)c1cccc(Br)c1)NNC(=O)c1ccco1 14139293 MTBIFSOAQAABAU-UHFFFAOYSA-N 366.171 1.233 50 40 FDGB COc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 6647473 CPQFZNPYGLVCJM-GFCCVEGCSA-N 362.357 1.828 50 40 FDGB NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1 83318305 GZMDCTJBMJKMCU-UKWGHVSLSA-N 361.785 1.733 50 40 FDGB