smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1=C(C#N)C(=O)[N+]([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(F)cc1 2082943373 FYMXUGIZNFSVKT-CQSZACIVSA-N 389.408 1.356 50 50 GDGA C[C@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)[C@@H]1Oc2ccccc2[C@H]1C 770409523 SUAMBYUWOQQGIB-ISTVAULSSA-N 383.412 1.648 50 50 GDGA O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 30860499 WILZNWWEBADQDB-FXBPXSCXSA-N 383.320 1.925 50 50 GDGA Cc1ccc(S(=O)(=O)NC(=O)Nc2nc(CCl)nc(N(C)C)n2)cc1 22019064 HFYWSRHXENKENT-UHFFFAOYSA-N 384.849 1.495 50 50 GDGA C[C@H]1CCCN(C(=O)Cn2nnc3c2CCCC3)[C@H]1CCNC(=O)CCl 1875384938 YVHFCAVFQFGXNC-ZFWWWQNUSA-N 381.908 1.529 50 50 GDGA CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cccc(O)c1 2082929041 ONWSPBLCQNZONI-ZDUSSCGKSA-N 387.417 1.084 50 50 GDGA O=C(CCl)N[C@@H]1CN(C(=O)Cn2nnc3ccccc32)C[C@H]1c1ccccc1 1875383219 LMMSYEIYTIOTIK-DOTOQJQBSA-N 397.866 1.781 50 50 GDGA C=CCN1C(=O)/C(=N\NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 4611074 PFCCCYUMGGWNFX-PGMHBOJBSA-N 393.359 1.586 50 50 GDGA C[C@@H](NC(=O)CCl)[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCO3)CCO1 1875384044 KENNOYBFUJMIKN-DYVFJYSZSA-N 380.872 1.525 50 50 GDGA O=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1nnc(-c2ccccc2)s1 5903172 LUMWFPBMJBQOIV-GIJQJNRQSA-N 383.389 1.705 50 50 GDGA O=C(CCl)N[C@H](CNC(=O)C1(n2cnnn2)CCCCC1)c1ccccc1 1875383890 GGWVBEMLISXVPL-OAHLLOKOSA-N 390.875 1.545 50 50 GDGA COc1cc(/C=N/NC(=O)CC2=NNC(=O)C2)ccc1OCc1ccccc1 100731195 WONARUARAWEHIR-CIAFOILYSA-N 380.404 1.990 50 50 GDGA CCn1cc(Cl)c(C(=O)NNC(=O)[C@@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)n1 2785749 NYTDRMXXZDZCAN-QMMMGPOBSA-N 397.823 1.375 50 50 GDGA CN(Cc1cccc(B(O)O)c1)C(=O)CCCN1C(=O)CCc2ccccc21 2325890729 AJKBOJZQJYLNQJ-UHFFFAOYSA-N 380.253 1.084 50 50 GDGA C[C@]1(C(=O)N2CCCO[C@H](CNC(=O)CCl)C2)OCCc2ccccc21 1875384531 SAKQWDXVWPFHEJ-BEFAXECRSA-N 380.872 1.447 50 50 GDGA C[C@H](C(=O)N1CCCC[C@@H]1CCNC(=O)CCl)n1nnnc1C(C)(C)C 1875384750 WIBUKKCXXIJJBD-CHWSQXEVSA-N 384.912 1.658 50 50 GDGA CCOc1ccc([C@H]2C(C#N)=C(SCC(N)=O)N=C(O)[C@H]2C(=O)OC)cc1 8970623 AYRIKGODJLUGJR-GJZGRUSLSA-N 389.433 1.882 50 50 GDGA CN1/C(=C(\C#N)C(=O)CN2CCN(C3CC3)[C@@H](C(N)=O)C2)Sc2ccccc21 1875267304 IMOYQWFHGLXQLT-ZHTGWBIJSA-N 397.504 1.167 50 50 GDGA COc1ccc(/C=N/NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c2ccccc12 17079501 MPJPXXJQHMZBMI-SLDJAQPHSA-N 389.477 1.970 50 50 GDGA C/C(Cl)=C/Cn1c(SC[C@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 662928 JXWVPZKQEXVOBY-LSFDQVSLSA-N 379.269 1.258 50 50 GDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 2532028 YMWGLXMLNIOAJH-SSDVNMTOSA-N 378.388 1.417 50 50 GDGA C[C@@]1(C(=O)N2CCCO[C@@H](CNC(=O)CCl)C2)OCCc2ccccc21 1875384533 SAKQWDXVWPFHEJ-HNAYVOBHSA-N 380.872 1.447 50 50 GDGA Cc1nn(CCC(=O)NNC(=S)Nc2ccc(F)cc2)c(C)c1[N+](=O)[O-] 8685683 JYQOKHZBXKPOBY-UHFFFAOYSA-N 380.405 1.955 50 50 GDGA CCn1cc(C(=O)NNC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)cn1 2785484 FZODPQHVKUNBKY-VIFPVBQESA-N 397.277 1.576 50 50 GDGA C[C@H](C(=O)NNc1ccc2ccccc2n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 271972302 JYKYWFGBBOWNPW-ZPWNPBNNSA-N 380.404 1.229 50 50 GDGA Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cccc(O)c1 854409 IPRJRQUZBYRSQI-AWQFTUOYSA-N 377.364 1.524 50 50 GDGA CS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)C1 17077164 TUQZLFKXGMREBC-DKSCHZSNSA-N 377.388 1.827 50 50 GDGA CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=S)NCc2ccc(C)cc2)C1 13322360 XFJBSCOYJZCYNU-HNNXBMFYSA-N 398.554 1.052 50 50 GDGA Cn1nnc2cccc(C(=O)NCc3ccc(CNC(=O)CCl)cc3F)c21 1875384190 LUMMPEAMDHUIHP-UHFFFAOYSA-N 389.818 1.892 50 50 GDGA COC(=O)c1ccc(OCC(=O)NNC(=S)Nc2ccc(OC)cc2)cc1 2571218 HPXLZMREPBVYQF-UHFFFAOYSA-N 389.433 1.878 50 50 GDGA CCCOc1ccc(/C=N/NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)cc1 13320754 BFKMZBJDLYWEOG-HUCUOGIVSA-N 381.498 1.987 50 50 GDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc([N+](=O)[O-])cc1 2338410 MFRIKINHQUTHII-KGENOOAVSA-N 381.436 1.863 50 50 GDGA CC(C)(C)[Si](C)(C)OC1CCN(S(=O)(=O)c2ccc(B(O)O)cc2)CC1 230534383 XKQBIUBXTAYHNU-UHFFFAOYSA-N 399.394 1.541 50 50 GDGA C[C@H](C(=O)O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 239306266 GQINQORTNPCQEW-OCVKVGDCSA-N 395.047 1.237 50 50 GDGA COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1ccc(OC)cc1OC)C(F)(F)F 2769872 MGKCCVQATREFDB-MFKMUULPSA-N 385.722 1.716 50 50 GDGA CC1=C(C#N)C(=O)[N+]([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(F)cc1 340862156 FYMXUGIZNFSVKT-BRYYZUPOSA-N 389.408 1.356 50 50 GDGA COc1ccc(C=NNC(=O)c2cc[nH]n2)cc1Cn1nnc2ccccc21 252679792 RIEMXMONGMSMLJ-UHFFFAOYSA-N 375.392 1.975 50 50 GDGA N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@H]1c1ccccc1F 2696745 VOYAAVFUUVJPNJ-ZDUSSCGKSA-N 375.425 1.756 50 50 GDGA Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 2853598 NXGHIBTZMGJDEQ-RYUDHWBXSA-N 382.442 1.345 50 50 GDGA C[C@@H](C(=O)NNc1ccc2ccccc2n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 271972289 JYKYWFGBBOWNPW-VIZYAEIXSA-N 380.404 1.229 50 50 GDGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCCO3)ccc1O 2896748 LHGGPGKLVFAHPC-UFFVCSGVSA-N 385.376 1.052 50 50 GDGA O=C(CCCC[C@H]1CCSS1)NCCOCCOCCOCCO 230496009 RCNNKKYGPYWQAT-HNNXBMFYSA-N 381.560 1.859 50 50 GDGA in-vitro CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 4283097 HNGMLQRWEVFIBI-RGVLZGJSSA-N 385.376 1.638 50 50 GDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1cc(Br)ccc12 994175 QSDQCLABIZGMEI-MRXNPFEDSA-N 390.193 1.810 50 50 GDGA O=C(N/N=C/c1c(N2CCOCC2)nc2ccccn2c1=O)c1ccccc1 4070223 MPFLJBFBFSTYCQ-KGENOOAVSA-N 377.404 1.295 50 50 GDGA O=C(COc1ccc(Cl)cc1Br)NNC(=O)[C@H]1CCCO1 15658870 MJQCNOVSOQTCSV-LLVKDONJSA-N 377.622 1.808 50 50 GDGA CCCCOc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1 1953877 MDBWQAKOIGTKRF-VXLYETTFSA-N 384.400 1.484 50 50 GDGA Cn1nnc2c1[C@@H](C(=O)NCC1(NC(=O)CCl)CCCCCC1)CCC2 1875383763 DOGQFLNMUGDPNR-ZDUSSCGKSA-N 381.908 1.799 50 50 GDGA CN(CC(=O)NNC(=O)c1ccncc1)S(=O)(=O)c1ccc2ccccc2c1 2862938 BUIHYQAUICYSDQ-UHFFFAOYSA-N 398.444 1.317 50 50 GDGA CC(C)(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O 864097455 TZVRNBADFROATF-UHFFFAOYSA-N 379.265 1.955 50 50 GDGA Cc1nnnn1CC(=O)N[C@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875383615 ASIBHAXEIJPNRW-MRXNPFEDSA-N 386.843 1.347 50 50 GDGA COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)cc([N+](=O)[O-])c1O 32614411 WRGLSYGBOPUCJA-NDXPVBBNSA-N 398.375 1.289 50 50 GDGA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)NNC(=O)c1cnn[nH]1 732763881 LTBKHBPSCSXPRR-BPLDGKMQSA-N 396.451 1.350 50 50 GDGA Cc1cc(C)n2nc(C(=O)NC[C@H](NC(=O)CCl)c3ccccc3)nc2n1 1875384770 WRIHYYRFYLNUBY-AWEZNQCLSA-N 386.843 1.567 50 50 GDGA O=C(O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 239306117 GLGYQBLEXPNSGK-PTEOKISQSA-N 380.194 1.894 50 50 GDGA CCc1ccc(OCC(=O)NNC(=O)c2cnccn2)c(Br)c1 3633289 JKRBEAJFHYFROT-UHFFFAOYSA-N 379.214 1.642 50 50 GDGA C[SiH]1O[Si](C)(c2ccccc2)O[SiH](C)O[Si](C)(c2ccccc2)O1 195751619 LUTNRGWXZJNWAJ-UHFFFAOYSA-N 392.708 1.725 50 50 GDGA O=C(CN1CCN(Cc2ccccc2)CC1)NN=Cc1ccccc1C(=O)O 238900867 KMJKKBIXHYNHJX-UHFFFAOYSA-N 380.448 1.653 50 50 GDGA Cc1c(C(=O)NNc2ccccc2S(N)(=O)=O)cnn1Cc1ccccc1 225701636 CXFXPXRAGNRTPR-UHFFFAOYSA-N 385.449 1.644 50 50 GDGA O=C(Cn1nnc2c1CCCC2)NCC1(NC(=O)CCl)CCCCCC1 1875384089 LHWDMSIWRHHMBC-UHFFFAOYSA-N 381.908 1.721 50 50 GDGA Cn1cc(C(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)ncc1=O 1875384452 PTSOIDSITRSCNC-INIZCTEOSA-N 398.850 1.760 50 50 GDGA COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCBr 334160530 GUJMDWFIXWXKTL-UHFFFAOYSA-N 385.239 1.383 50 50 GDGA O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 130433561 ZSXMVAKIQQTPEA-RCCFBDPRSA-N 389.419 1.335 50 50 GDGA CC(C)(C)n1ncc2c(O)nc(=NNC(=O)c3cc4c(cc3N)CCCC4)[nH]c21 1875344733 KRSKTOYCIZPSBR-UHFFFAOYSA-N 395.467 1.927 50 50 GDGA Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)CCl)s1 1875383609 APKNUAGBGGLSSG-CHWSQXEVSA-N 385.917 1.816 50 50 GDGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2OC)ccc1O 2902647 ROGCEQWWTRUEIU-RGVLZGJSSA-N 387.392 1.897 50 50 GDGA C=CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 3133786 LTSLFCRPATVOBF-UHFFFAOYSA-N 376.869 1.845 50 50 GDGA CC(C[Si](C)(C)O[Si](C)(C)CC(C)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O 169817812 FHQOAKUFXXWBTI-UHFFFAOYSA-N 394.525 1.764 50 50 GDGA COc1c(O)ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c1[N+](=O)[O-] 4721494 WMTHRUFVJKHWPW-SMZCTMMZSA-N 398.375 1.289 50 50 GDGA COc1ccc(N2C[C@H](C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)CC2=O)cc1 38170753 BAQAZTAUSADEMZ-RNDVCUHJSA-N 398.375 1.812 50 50 GDGA COc1ccc(N([C@H](C)C(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)cc1 55437074 IRJXIWDHSAERSK-CYBMUJFWSA-N 382.486 1.048 50 50 GDGA O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NNC(=O)c1cccnc1 1207976 FTRUSPVIPZLLDT-ZROIWOOFSA-N 382.401 1.579 50 50 GDGA CCOC(=O)/C(C)=N/NC(=O)c1cc[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5716447 SWOBWVXWHNPWDX-UHFFFAOYSA-O 399.383 1.434 50 50 GDGA COc1ccc(NC(=O)NNC(=O)c2c(Br)cnn2C)cc1OC 2858981 QUXWSHZKQUMEKW-UHFFFAOYSA-N 398.217 1.666 50 50 GDGA NC(=S)N/N=c1/sc2ccccc2n1CSCC(=O)OCCCl 5572542 WPGDYLOHDPHRFS-GHRIWEEISA-N 390.943 1.824 50 50 GDGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2c(C)[nH]c3ccccc23)C1 13320803 XYTWAGKEQBNJIR-HIPSJFSSSA-N 376.482 1.988 50 50 GDGA C=CC(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 1875363403 PHMFVHGSNPHOEH-UHFFFAOYSA-N 385.399 1.401 50 50 GDGA C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc(B(O)O)c(C=O)c1 2325873309 CNHSXUHCFKGYRF-NSHDSACASA-N 390.042 1.302 50 50 GDGA O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccccc1Br 100400074 FCFCHLRSWAYDDY-NGERZBJRSA-N 379.210 1.733 50 50 GDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2C)c(OC)c1OC 2544333 HFKNYRSXEWKZRB-SSDVNMTOSA-N 385.420 1.901 50 50 GDGA COc1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)cc1CN1CCOCC1 13322110 HEDYAKVOBYQPQX-CIAFOILYSA-N 385.420 1.703 50 50 GDGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2c[nH]nc2-c2ccccc2)C1 13321151 ISUAJVQKPPGQNI-RVZJCZPVSA-N 389.481 1.589 50 50 GDGA CC(C)CC(=O)NNC(=O)c1cn2cc(I)ccc2n1 4002664 CBLXEQIGYZDOMV-UHFFFAOYSA-N 386.193 1.746 50 50 GDGA O=C(N/N=C/c1cccc(F)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 4210459 CKNVRBQWABQBOB-LPYMAVHISA-N 398.394 1.387 50 50 GDGA CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)NN)c(N)c23)CS1 12402456 AOGNGASNGKNAAV-UHFFFAOYSA-N 393.538 1.887 50 50 GDGA COc1ccc(CN(C(C)(C)C)S(=O)(=O)c2ccc(B(O)O)cc2)cc1 169745636 IEROFVLRFGYWHA-UHFFFAOYSA-N 377.271 1.364 50 50 GDGA in-vitro Cc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C)o2)C=3C#N)o1 2239953 RYKJDDQQSLJQJM-DYFCPDHGSA-N 390.424 1.664 50 50 GDGA COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1O 32614408 WRGLSYGBOPUCJA-XGZOFMLCSA-N 398.375 1.289 50 50 GDGA Cc1[nH]nc2c1[C@]1(C(=O)N(C)c3ccc(Br)cc31)C(C#N)=C(N)O2 5130123 IZVINKGECZKTQE-MRXNPFEDSA-N 386.209 1.829 50 50 GDGA Cc1cc(C)n2nc(C(=O)NC[C@@H](NC(=O)CCl)c3ccccc3)nc2n1 1875384771 WRIHYYRFYLNUBY-CQSZACIVSA-N 386.843 1.567 50 50 GDGA CCc1ccc(OCC(=O)NNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 2532716 QCHOMOVVMSQYFM-UHFFFAOYSA-N 391.449 1.656 50 50 GDGA COc1ccc(OC)c(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1 20064454 XBTNAIKLARABDA-HZHRSRAPSA-N 396.491 1.972 50 50 GDGA Cc1ccc(S(=O)(=O)/N=C(\O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 33808198 KQMRQSUBQMYQGF-UHFFFAOYSA-N 386.433 1.943 50 50 GDGA COc1ccc(C2=NO[C@H]3[C@H]2/C(=N/NC(=O)c2ccccc2)[C@H]2OC[C@H]3O2)cc1 824659898 KZPSFDVJTJLLMF-JKGGCGSHSA-N 393.399 1.955 50 50 GDGA CCOC(=O)C1=C(CBr)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 1422328 UBSRXAISBAOYTJ-ZDUSSCGKSA-N 383.198 1.981 50 50 GDGA Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc(C)c1Cl 225585659 UULQGIJJFWZALO-UXOAXIEHSA-N 396.827 1.361 50 50 GDGA CCOc1ccc([C@@H]2C(C#N)=C(SCC(N)=O)N=C(O)[C@H]2C(=O)OC)cc1 8970626 AYRIKGODJLUGJR-CABCVRRESA-N 389.433 1.882 50 50 GDGA COc1cc(/C=N/NC(=O)Cc2c(O)n[nH]c2C)cc(OC)c1OC(C)=O 1477400 UTTNVYDLPUAMJC-QGMBQPNBSA-N 376.369 1.059 50 50 GDGA COc1cccc(NC(=S)NNC(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)c1 13470944 VBQVRAKEPFEYAU-LLVKDONJSA-N 392.441 1.996 50 50 GDGA Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229183 NKJDAWBHBSWZSG-RGVLZGJSSA-N 398.444 1.265 50 50 GDGA CC(C)(C)n1nnc(CC(=O)NCC2(NC(=O)CCl)CCCCCC2)n1 1875384963 ZNINWUKZKFUEMZ-UHFFFAOYSA-N 384.912 1.535 50 50 GDGA CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)OC[C@@H]1O[C@@H]1CBr)C(=O)C2 2387306 WVJLXXFXEMGBCM-NJBDSQKTSA-N 381.288 1.891 50 50 GDGA Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)ccc1Cl 138687511 ZJHXZAWJJOOHEP-KUDNYVPYSA-N 380.828 1.922 50 50 GDGA CCCc1[nH]nc2c1[C@@]1(C(=O)N(CC(=O)O)c3ccccc31)C(C#N)=C(N)O2 6024428 RQSQDRFZRWMFFI-IBGZPJMESA-N 379.376 1.166 50 50 GDGA COc1ccc(/C=C(/NC(=O)c2ccc(Br)o2)C(=O)NN)cc1 854223 SNPUJGWXQJXSBF-DHZHZOJOSA-N 380.198 1.812 50 50 GDGA CC(C)(C)[Si](OC[C@H]1OC(=O)[C@H](O)[C@H]1O)(c1ccccc1)c1ccccc1 169834184 GVSOPBYAWJJMGA-CEXWTWQISA-N 386.520 1.210 50 50 GDGA CC(C)(C)C[C@@H]1CN(C(=O)Cn2nnc(C3CC3)n2)C[C@H]1NC(=O)CCl 1875383222 LNZRLQNUMYNROL-CHWSQXEVSA-N 382.896 1.169 50 50 GDGA C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21 1421796 FIVKGFVYWJXORG-FQEVSTJZSA-N 377.356 1.037 50 50 GDGA CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=S)NCc2ccc(C)cc2)C1 13322358 XFJBSCOYJZCYNU-OAHLLOKOSA-N 398.554 1.052 50 50 GDGA NNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)o1 5018887 KBMHYOHSEJXGME-JXMROGBWSA-N 395.169 1.711 50 50 GDGA CN1CCN(CN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)CC1 19790902 XFLORLKDWDLWMW-QOCHGBHMSA-N 377.448 1.372 50 50 GDGA COC(=O)c1cc(NC(=S)NNC(=O)c2ccncc2)cc(C(=O)OC)c1 2346979 ZMXHKMAXDGNFRM-UHFFFAOYSA-N 388.405 1.286 50 50 GDGA COC(=O)COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 1191876 TXGMOGJIQSMAKS-DJKKODMXSA-N 388.449 1.888 50 50 GDGA CCOc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)ccc1O 2533917 AOYAKAZMXTXZIB-WOJGMQOQSA-N 377.422 1.220 50 50 GDGA CC1=C(C#N)C(=O)[N+]([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(F)cc1 340862201 FYMXUGIZNFSVKT-SLVCOGOPSA-N 389.408 1.356 50 50 GDGA COc1cc(C=O)c(B(O)O)cc1OCC(=O)N[C@@H](CC(C)C)c1ccccc1 2325853959 JLJQMBKPYMYXHO-SFHVURJKSA-N 399.252 1.470 50 50 GDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1OC 3184627 NDEKGFCRLZPUSI-KEBDBYFISA-N 386.364 1.492 50 50 GDGA Cc1ccc2c(c1)/C(=N/NC(=O)C(=O)Nc1cccc(C(=O)O)c1)C(=O)N2C 1952746 KHUUYVDCHFWNAQ-QNGOZBTKSA-N 380.360 1.129 50 50 GDGA CC(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 2853569 HGYCGLNGAFWPDB-UHFFFAOYSA-N 378.366 1.812 50 50 GDGA O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@@H]1O 101487407 PVJGDYDNVNCGBT-CRMRRSEDSA-N 379.848 1.285 50 50 GDGA in-vitro COc1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)cc1 4355640 KVZWBRXGDOEPNO-RGVLZGJSSA-N 387.392 1.810 50 50 GDGA Cc1cccn2c(=O)c(/C=N/NC(=O)c3ccncc3)c(N3CCCC3)nc12 3165735 JCDMXIGDAWEHOQ-LPYMAVHISA-N 376.420 1.762 50 50 GDGA C=CCN1C(=O)/C(=N\NC(=O)C(=O)Nc2ccc(C(=O)O)cc2)c2ccccc21 1954462 NQEGXKRMBRLMLI-JWGURIENSA-N 392.371 1.376 50 50 GDGA COc1ccc(/C(C[C@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)=N\NC(N)=O)cc1 25574176 PSBRXVUABGHACF-AFDUHFSSSA-N 399.363 1.206 50 50 GDGA COc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1OC 20065460 QOVMPUBWUQFICQ-HZHRSRAPSA-N 396.491 1.972 50 50 GDGA NNC(=O)CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1 34925112 ZGBWDXCKNPVFMO-UHFFFAOYSA-N 380.437 1.142 50 50 GDGA Cn1ncc(Br)c1C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 4999036 PVNZOXVSXXLFBP-UHFFFAOYSA-N 399.230 1.722 50 50 GDGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CNC(=O)c1cccc(C)c1 4210960 UPMKRWARYYYKRT-SSDVNMTOSA-N 385.420 1.901 50 50 GDGA Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCCO[C@@H](CNC(=O)CCl)C1)C2 1875384033 JTRXCCUMFJHLHW-DOTOQJQBSA-N 380.872 1.579 50 50 GDGA Cn1nnc2c1[C@H](C(=O)NCC1(NC(=O)CCl)CCCCCC1)CCC2 1875383762 DOGQFLNMUGDPNR-CYBMUJFWSA-N 381.908 1.799 50 50 GDGA C=CC(=O)N1CCC(C(=O)NNC(=O)c2cccc(Br)c2)CC1 2325889173 CTJBSCFZZSVKHI-UHFFFAOYSA-N 380.242 1.635 50 50 GDGA C#CCN1C(=O)/C(=N\NC(=O)c2cc(C)[nH]n2)c2cc(Br)ccc21 9073822 AYIMOGBSQMXWNZ-ZHZULCJRSA-N 386.209 1.595 50 50 GDGA COc1cc(C(=O)NCC(=O)N/N=C/c2cccs2)cc(OC)c1OC 2285614 TYWJFUBQVZBWDO-DJKKODMXSA-N 377.422 1.654 50 50 GDGA COC(=O)CSC1=C(C#N)[C@H](c2ccccc2OC)[C@H](C(=O)OC)C(=O)N1 9110123 GHOGZMABNBYCRE-GJZGRUSLSA-N 390.417 1.339 50 50 GDGA COC(=O)CN1C(=O)/C(=N\NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc21 6425356 MQUIQNUBVWBOGK-JZJYNLBNSA-N 396.359 1.557 50 50 GDGA N/C(Cn1cncn1)=N\NC(=O)C/C=N/OCc1ccc(Cl)cc1Cl 8377144 TUGJBHAKYLNYQZ-LRNAUUFOSA-N 384.227 1.566 50 50 GDGA Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)s1 806030 NEEHRDXKOKQVLZ-SYZQJQIISA-N 384.215 1.304 50 50 GDGA Cc1ccc(S(=O)(=O)CC(=O)NNC(=S)NC(=O)c2cccs2)cc1 2182246 OHUIXDLRRNQFDY-UHFFFAOYSA-N 397.503 1.166 50 50 GDGA C[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)[C@H]1CCNC(=O)CCl 1875384960 ZLPKFPUWHVHCOM-HIFRSBDPSA-N 377.876 1.804 50 50 GDGA NC(=O)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccccc1 5314703 QTLLBOHAFXOZHB-MNAFEPAFSA-N 382.336 1.350 50 50 GDGA Cc1cc2c(cc1C)O[C@H](C(=O)N1CCCO[C@H](CNC(=O)CCl)C1)C2 1875384036 JTRXCCUMFJHLHW-WBVHZDCISA-N 380.872 1.579 50 50 GDGA COc1ccc(CC(=O)NNC(=O)c2nn(C)cc2Br)cc1OC 2754096 FVCKTQAFCFNWLS-UHFFFAOYSA-N 397.229 1.204 50 50 GDGA C[C@@H](Cl)C(=O)NC1[C@H]2CC(NC(=O)OC(C)(C)C)C[C@H]1CS(=O)(=O)C2 1875380104 FOANPYLIOHNVGP-SJGRQUNQSA-N 394.921 1.446 50 50 GDGA CCSc1nc2c(c(=O)[nH]1)[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)N2 4625223 SETMDACOSXCPQW-GOSISDBHSA-N 380.433 1.264 50 50 GDGA COc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc(OC)c1OC 138212625 SZVTZMSBOHFBGJ-NBLIUIFLSA-N 392.408 1.220 50 50 GDGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)c1 4354540 LNRBPFPFOZOPMW-RGVLZGJSSA-N 387.392 1.810 50 50 GDGA Cc1cnc2nc(C(=O)N[C@@H](CNC(=O)CCl)C3CCCCC3)nn2c1 1875384375 OAQDHVSGYYRHKO-ZDUSSCGKSA-N 378.864 1.466 50 50 GDGA O=C(O)COc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1 6473637 XOGGJACFKFJWOB-ZVBGSRNCSA-N 389.795 1.684 50 50 GDGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2c[nH]nc2-c2ccccc2)C1 13321153 ISUAJVQKPPGQNI-SLDJAQPHSA-N 389.481 1.589 50 50 GDGA COC(=O)c1sc(NC(=S)NNC(=O)c2ccco2)c(C(=O)OC)c1C 2852997 BIWDIJBFRXMYFA-UHFFFAOYSA-N 397.434 1.854 50 50 GDGA Cc1cc(C)cc(OCC(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)c1 851419 GMBSCECUYSPYGH-UHFFFAOYSA-N 381.388 1.126 50 50 GDGA O=C(CCl)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1sccc1F 1875384859 XSHIKSFSWAAWJL-NSHDSACASA-N 389.880 1.743 50 50 GDGA O=C(CCl)N[C@@H]1C[C@@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C12CCC2 1875384019 JLMWKXGKIKUTCK-GHMZBOCLSA-N 378.782 1.684 50 50 GDGA Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@@H](O)CCl)n2Cc1ccccc1 678514 HSOHDYCEDAOJEM-NSHDSACASA-N 380.857 1.163 50 50 GDGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 2552912 MWNYNKOSYUGYDD-WSDLNYQXSA-N 385.420 1.983 50 50 GDGA Cc1onc(N)c1S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCCC2 328599266 RCUDVRKRSPQOTJ-UHFFFAOYSA-N 384.483 1.909 50 50 GDGA O=C(O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 239306115 GLGYQBLEXPNSGK-DZDPUUJWSA-N 380.194 1.894 50 50 GDGA CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3190360 YTYRWFKJCJRBPF-UHFFFAOYSA-N 378.366 1.177 50 50 GDGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@H]2O)[C@@](O)(CCCCl)[C@H]1O3 257355322 AGWNNXXAASUYJC-RRRHHHQLSA-N 380.941 1.968 50 50 GDGA Cc1cc(C)cc(-n2ncc(CN(C[C@H]3COCCO3)C(=O)CCl)n2)c1 1875383947 HNZIPYPCGMDPQB-KRWDZBQOSA-N 378.860 1.867 50 50 GDGA C[C@H](NC(=O)CCl)[C@H]1CN(C(=O)Cc2ccc3c(c2)CCCO3)CCO1 1875384048 KENNOYBFUJMIKN-SUMWQHHRSA-N 380.872 1.525 50 50 GDGA CC[C@H](C(=O)NNC(=S)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 2853437 MGJUWZTUHMDZFD-HNNXBMFYSA-N 392.506 1.845 50 50 GDGA CCn1cc(Cl)c(C(=O)NNC(=O)[C@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)n1 2785750 NYTDRMXXZDZCAN-MRVPVSSYSA-N 397.823 1.375 50 50 GDGA CCOC(=O)C1=C(CBr)N(CCO)C(=O)N[C@H]1c1ccccc1 4784020 ISMNDJHVJMRAPP-AWEZNQCLSA-N 383.242 1.957 50 50 GDGA CCN1C(=O)C(C#N)=C(C)/C(=C\C=C\c2c(C)c(C#N)c(=O)n(CC)c2O)C1=O 100071235 UKUWHJSLMKBVGB-WESQECEQSA-N 392.415 1.922 50 50 GDGA CCn1c(=O)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(O)c2ccccc21 100551318 JOUDPFFRUXMXFS-UHFFFAOYSA-N 396.359 1.710 50 50 GDGA O=C(O)Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2F)cc1 748645808 CERJTGPKFXABKW-UHFFFAOYSA-N 386.788 1.730 50 50 GDGA Cc1ccc(S(=O)(=O)NNC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1 100551351 DQSRSPOSGVLNRE-UHFFFAOYSA-N 387.417 1.176 50 50 GDGA Cc1cn(CC(=O)N2CCCO[C@H](CNC(=O)CCl)C2)c2ccccc12 1875384777 WXXGCCIQYIJQNN-OAHLLOKOSA-N 377.872 1.922 50 50 GDGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cn[nH]c1-c1ccc(F)cc1 6791390 PJNMFJIMXDZFIA-HNNXBMFYSA-N 380.335 1.879 50 50 GDGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)c1ccc2c(c1)OCO2 15899853 WYOXHJRXTUYSAT-UHFFFAOYSA-N 390.377 1.964 50 50 GDGA C[C@H](Oc1ccc(F)cc1Cl)C(=O)NNC(=S)NC[C@H]1CCCO1 8239021 MMHHTFLWLARNEL-GXSJLCMTSA-N 375.853 1.921 50 50 GDGA COCC[S@@](=O)Cc1cccc(NC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1 844539134 IZLHQXQMJGYARU-QCYPDVNFSA-N 395.481 1.302 50 50 GDGA O=C(CCl)NC[C@@H](NC(=O)[C@H]1COCCO1)c1ccc2ccccc2c1 1875383952 HQSMSUSJAHVILW-IAGOWNOFSA-N 376.840 1.768 50 50 GDGA Cc1cc2ccccc2nc1NNC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 272009301 ZLZWAXFMXQEQOC-YFTGLANFSA-N 394.431 1.537 50 50 GDGA O=C(CCCC[C@@H]1CCSS1)NCCOCCOCCOCCO 230495970 RCNNKKYGPYWQAT-OAHLLOKOSA-N 381.560 1.859 50 50 GDGA in-vitro CCN(C(=O)COc1cccc(B(O)O)c1C=O)c1cccc2ccccc12 2325825888 GSFCIOLVCGOCOR-UHFFFAOYSA-N 377.205 1.764 50 50 GDGA CC(C)c1n[nH]c2c1[C@@]1(C(=O)N(CC(=O)O)c3ccccc31)C(C#N)=C(N)O2 5463577 UBEJTTJIYOGFBZ-IBGZPJMESA-N 379.376 1.337 50 50 GDGA CC(C)C[C@H](NC(=O)C(C)(C)NC(=O)c1ccccc1C(F)(F)F)B(O)O 202564434 IRZZVDHGNHGNAI-ZDUSSCGKSA-N 388.195 1.757 50 50 GDGA C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(B(O)O)c(C=O)c2)C[C@@H](C)O1 2325873849 WKMBFUCGFMWMLA-GASCZTMLSA-N 396.252 1.040 50 50 GDGA O=C(CCl)N[C@H]1C[C@@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C12CCC2 1875384022 JLMWKXGKIKUTCK-WDEREUQCSA-N 378.782 1.684 50 50 GDGA O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccccc1 239235771 WRJMXBUVYUAIHB-NCPBCQDQSA-N 379.206 1.984 50 50 GDGA Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(O)c2)c1-c1ccccc1 2935859 CDBYLBJDWOFHEC-KEBDBYFISA-N 390.363 1.369 50 50 GDGA O=C(Nc1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)c(B(O)O)c1 169744033 SXJAQKSKAWWBEP-UHFFFAOYSA-N 382.938 1.429 50 50 GDGA Cn1c(SCC(=O)N/N=C/c2ccc(O)c(O)c2)nc2ccccc2c1=O 2546708 AZJQMWBMLCWKQP-DJKKODMXSA-N 384.417 1.587 50 50 GDGA Cc1ccc(C(=O)NNc2nc(O)c3ccccc3n2)cc1NS(C)(=O)=O 758310456 FFWFRBMKTNOKSA-UHFFFAOYSA-N 387.421 1.772 50 50 GDGA O=C(Cl)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)o1 1857800324 XWXRLKBSZJTQBC-UHFFFAOYSA-N 382.825 1.805 50 50 GDGA CCOC(=O)CCCCC(=O)c1[nH]c(O)nc1CSS(=O)(=O)[N+](=O)[O-] 334163432 RXMNJVWZBIKVFJ-UHFFFAOYSA-N 395.415 1.176 50 50 GDGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12O[C@@H](n1ccc(=O)[nH]c1=O)[C@H](O)[C@@H]2O 169836793 YMQVFZWKGQVRTI-YYZLIPTLSA-N 398.532 1.100 50 50 GDGA Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(O)cc2)c1-c1ccccc1 2935234 TWPPXBJHJOHEMO-KEBDBYFISA-N 390.363 1.369 50 50 GDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2OC)cc1 4347429 CNAPYNWYOSCBPO-RGVLZGJSSA-N 387.392 1.810 50 50 GDGA CN(C)c1cccc2c(S(=O)(=O)NCCSS(C)(=O)=O)cccc12 2379120 ZKELPZYUWUFQLZ-UHFFFAOYSA-N 388.536 1.877 50 50 GDGA in-vitro C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(B(O)O)c(C=O)c1 2325873308 CNHSXUHCFKGYRF-LLVKDONJSA-N 390.042 1.302 50 50 GDGA COC(=O)CN1C(=O)/C(=N\NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 2542366 CZAZDXBDGURWOB-MNDPQUGUSA-N 382.332 1.249 50 50 GDGA O=C(CCl)NC[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CCCO1 1875384699 UWSHWOQDOKVXLR-ZBFHGGJFSA-N 379.844 1.152 50 50 GDGA COc1cc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)ccc1O 19367084 NNZDDLOAYHFQRI-HYARGMPZSA-N 382.464 1.669 50 50 GDGA COc1cccc(OCC(=O)NNC(=S)Nc2ccc3c(c2)OCCO3)c1 6398656 NRAPAPMERLHPKM-UHFFFAOYSA-N 389.433 1.863 50 50 GDGA Cc1cc2nc(CC(=O)N/N=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)[nH]c2cc1C 1848443963 QEIVQOHPZYNUNG-AWQFTUOYSA-N 395.375 1.847 50 50 GDGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 13575094 BZIXGFFYFUKYSY-UHFFFAOYSA-N 385.292 1.354 50 50 GDGA Cc1cc(/C=C(\C#N)C(=O)NC2(c3nnn[nH]3)CC2)c(C)n1C[C@@H]1CCCO1 221933202 SJEUKKNTNNCGQI-LRQZKABGSA-N 381.440 1.510 50 50 GDGA N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@@H]1c1ccccc1F 2696744 VOYAAVFUUVJPNJ-CYBMUJFWSA-N 375.425 1.756 50 50 GDGA CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12O[C@@H](n1ccc(=O)[nH]c1=O)[C@H](O)[C@@H]2O 169836796 YMQVFZWKGQVRTI-BWOYXGKQSA-N 398.532 1.100 50 50 GDGA COc1ccc(S(=O)(=O)N2CCC(CNC(=O)CCl)CC2)cc1OC 1320466308 XBPRIWFLBJAGCW-UHFFFAOYSA-N 390.889 1.460 50 50 GDGA C#CCCC1(CCC(=O)NNC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H](C)O2)N=N1 2325892276 HIFNAJOOUGYWBK-SJLPKXTDSA-N 397.479 1.779 50 50 GDGA O=C(CCl)NC[C@H]1CN(C(=O)[C@]2(c3ccccc3)CCCO2)CCCO1 1875384967 ZQIGUCKMZBFTJX-QFBILLFUSA-N 380.872 1.665 50 50 GDGA O=C(CCl)NC[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CCCO1 1875384697 UWSHWOQDOKVXLR-GOEBONIOSA-N 379.844 1.152 50 50 GDGA COC(=O)CN1C(=O)/C(=N\NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc21 2542377 AWUGSESZUFECEH-JZJYNLBNSA-N 396.359 1.557 50 50 GDGA COc1ccc(C2=NO[C@@H]3[C@H]4CO[C@@H](O4)/C(=N\NC(=O)c4ccccc4)[C@H]23)cc1 824659889 KZPSFDVJTJLLMF-CCLZBTMXSA-N 393.399 1.955 50 50 GDGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c1 2572284 PLHDJBWPOFJVOQ-RGVLZGJSSA-N 387.392 1.810 50 50 GDGA CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccccc1F 2082927015 LEDPKIJRYPRREY-LBPRGKRZSA-N 389.408 1.517 50 50 GDGA C[C@H](C(=O)NNc1ccc2ccccc2n1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 271972294 JYKYWFGBBOWNPW-WLHCIVTGSA-N 380.404 1.229 50 50 GDGA O=C(Cn1ncc2ccccc2c1=O)NNC(=S)Nc1ccc2c(c1)OCO2 1068088 QXQBMULOLLKUHX-UHFFFAOYSA-N 397.416 1.143 50 50 GDGA CCOC(=O)CN1C(=O)C[C@@](C)(N(C(=O)c2ccc(Cl)cc2)N(C)C)C1=O 71769424 XHFXOHODPQOLFR-GOSISDBHSA-N 395.843 1.340 50 50 GDGA C/C(Cl)=C/Cn1c(SC[C@@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 662932 JXWVPZKQEXVOBY-PFPYCLJUSA-N 379.269 1.258 50 50 GDGA C=CC(=O)N(C)c1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 1875373634 IXOKIBIREODDFN-UHFFFAOYSA-N 394.431 1.852 50 50 GDGA CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccccc1F 2082927014 LEDPKIJRYPRREY-GFCCVEGCSA-N 389.408 1.517 50 50 GDGA C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(B(O)O)c(C=O)c2)C[C@@H](C)O1 2325873851 WKMBFUCGFMWMLA-HUUCEWRRSA-N 396.252 1.040 50 50 GDGA COc1cc(C(=O)NCC(=O)N/N=C/c2ccccc2O)cc(OC)c1OC 1923432 UPUSMLJDGPHGCT-UFFVCSGVSA-N 387.392 1.298 50 50 GDGA C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)C(=O)NC1CCCCC1 100537580 IRZPPBYGCHYMIL-WSDLNYQXSA-N 388.424 1.685 50 50 GDGA CCCc1n[nH]c2c1[C@@H](c1ccc(OCC(N)=O)c(OCC)c1)C(C#N)=C(N)O2 1111635 OQHOMSHVURBTNH-KRWDZBQOSA-N 397.435 1.843 50 50 GDGA CC(C)(C)c1nnn(CC(=O)NCC2(NC(=O)CCl)CCCCCC2)n1 1875384197 LXXWSVMFFRCDMG-UHFFFAOYSA-N 384.912 1.535 50 50 GDGA CCn1c(=O)c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(O)c2ccccc21 100551327 AGOQSIZMHVGFPY-UHFFFAOYSA-N 396.359 1.710 50 50 GDGA O=C(NCC1CC1)NNS(=O)(=O)c1cccnc1Oc1ccc(F)cc1 864097441 SHAHAGBVGQEGHI-UHFFFAOYSA-N 380.401 1.916 50 50 GDGA O=C(CCCCC(=O)NNC(=O)[C@H]1CC12CCC2)NNC(=O)[C@H]1CC12CCC2 109186585 FTIFVECBSJBZQS-ZIAGYGMSSA-N 390.484 1.222 50 50 GDGA COCC[S@](=O)Cc1cccc(NC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1 844539136 IZLHQXQMJGYARU-SHNNRBKMSA-N 395.481 1.302 50 50 GDGA CN(Cc1cc(Cl)cc(Cl)c1)C(=O)COc1cccc(B(O)O)c1C=O 2325826248 VPHCHYCKZSSRNH-UHFFFAOYSA-N 396.035 1.523 50 50 GDGA CC(=O)N1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)c2ccccc21 5068057 FGANRYKDBBAZNE-OAQYLSRUSA-N 398.382 1.737 50 50 GDGA O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\C=C\c1ccc2c(c1)OCO2 5028997 RFTVPHAYQQVSAK-PJBJZVGBSA-N 376.376 1.884 50 50 GDGA C[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)[C@@H]1CCNC(=O)CCl 1875384961 ZLPKFPUWHVHCOM-UKRRQHHQSA-N 377.876 1.804 50 50 GDGA O=C(O)CCSSCCNC(=O)c1cc(Cl)ccc1-n1cnnn1 1875388690 MBGLPMMBUWXJNO-UHFFFAOYSA-N 387.874 1.902 50 50 GDGA O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccccc1Br 100400080 FCFCHLRSWAYDDY-VDUILEQBSA-N 379.210 1.733 50 50 GDGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(OC)c1OC 4210226 ABWADDGNBHSZAA-KEBDBYFISA-N 375.356 1.940 50 50 GDGA CCSc1nc2c(c(=O)[nH]1)[C@@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)N2 4625220 SETMDACOSXCPQW-SFHVURJKSA-N 380.433 1.264 50 50 GDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccc([N+](=O)[O-])c1 2233858 JFRJGYFIKJHRGU-KGENOOAVSA-N 381.436 1.863 50 50 GDGA Cc1nn(C)cc1C(=O)NNC(=O)[C@H](C)Cn1nc(C)c(Br)c1C 2785958 XAWFIUDEJSJWME-MRVPVSSYSA-N 397.277 1.402 50 50 GDGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@H]2O)[C@](O)(CCCCl)[C@H]1O3 257355320 AGWNNXXAASUYJC-ICKVOFSCSA-N 380.941 1.968 50 50 GDGA O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1c(O)[nH]c2ccccc2c1=O 18125869 RCPRMNUWCYQCHP-UHFFFAOYSA-N 393.808 1.510 50 50 GDGA Cc1cc2c(cc1C)O[C@H](C(=O)N1CCCO[C@@H](CNC(=O)CCl)C1)C2 1875384035 JTRXCCUMFJHLHW-RDJZCZTQSA-N 380.872 1.579 50 50 GDGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2141367 AZSYPOIUAMDLGG-RGVLZGJSSA-N 384.396 1.933 50 50 GDGA CO[C@@H]1[C@@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1C1C(C#N)=C(N)SC(N)=C1C#N 245312534 VQNWGPRGHHAATM-XJIUQZFPSA-N 390.465 1.553 50 50 GDGA Cn1cc(Br)c(C(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2)n1 8306579 PZHQMHOIICUDAT-UHFFFAOYSA-N 399.230 1.722 50 50 GDGA C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 239306263 GQINQORTNPCQEW-AIGIYKQSSA-N 395.047 1.237 50 50 GDGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1ccc(OC)cc1OC)C(F)(F)F 2769871 MGKCCVQATREFDB-GWCFXTLKSA-N 385.722 1.716 50 50 GDGA O=C(Cc1ccccc1)NCC(=O)N[C@@H]1C[C@@H](NC(=O)CCl)C12CCC2 1875384420 ORZQNIVYKCRVFL-HUUCEWRRSA-N 377.872 1.128 50 50 GDGA O=C(Cc1ccccc1)NCC(=O)N[C@H]1C[C@@H](NC(=O)CCl)C12CCC2 1875384418 ORZQNIVYKCRVFL-CABCVRRESA-N 377.872 1.128 50 50 GDGA CC1(CCC(=O)NCCSSCCC(=O)ON2C(=O)CCC2=O)N=N1 144048348 NLPWBELUEANJAT-UHFFFAOYSA-N 388.471 1.444 50 50 GDGA C[C@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)[C@@H]1Oc2ccccc2[C@@H]1C 770409527 SUAMBYUWOQQGIB-PKFCDNJMSA-N 383.412 1.648 50 50 GDGA COc1ccc(Cl)c(NC(=O)NNC(=O)NCc2nc(C3CC3)n[nH]2)c1 297997571 CVZGFJOPZXYAPC-UHFFFAOYSA-N 379.808 1.880 50 50 GDGA Cc1nn(CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)CCl)C2)c(C)c1C 1875383679 BYIIRIKEDNUORA-OLZOCXBDSA-N 394.825 1.943 50 50 GDGA CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccs2)cc1 1233943 MUFREURTGPTBJO-UHFFFAOYSA-N 381.479 1.853 50 50 GDGA CCc1nc(C)c(CC(=O)N2C[C@@H](NC(=O)CCl)[C@H](C3CC3)C2)c(C)n1 1875383098 GOXVAYUUBYLZOL-JKSUJKDBSA-N 378.904 1.790 50 50 GDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1C(=O)O 22916595 KMJKKBIXHYNHJX-HYARGMPZSA-N 380.448 1.653 50 50 GDGA COC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1OC 9089575 CZXSSZSUXAZXNW-UONOGXRCSA-N 375.406 1.492 50 50 GDGA Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 5042277 WFDQZGMKLKNYEP-UHFFFAOYSA-N 376.756 1.956 50 50 GDGA O=C(CCl)NC[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CCCO2)CCCO1 1875384965 ZQIGUCKMZBFTJX-APWZRJJASA-N 380.872 1.665 50 50 GDGA COC(=O)[C@@H](Oc1cccc(B(O)O)c1C=O)c1ccc(Cl)cc1Cl 2325825878 GHIBXBSEYPBZBA-HNNXBMFYSA-N 382.992 1.779 50 50 GDGA C#CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(OC)c(OC)c1 2552838 UPERWCNVVUYJSE-YDZHTSKRSA-N 395.415 1.596 50 50 GDGA CS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)C1 17077165 TUQZLFKXGMREBC-BFNDQCEFSA-N 377.388 1.827 50 50 GDGA Cc1cc(C(=O)NNC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)n[nH]1 768274666 VODOZVQJULLWGH-UHFFFAOYSA-N 398.444 1.767 50 50 GDGA Cc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C)o2)C=3C#N)o1 2239951 RYKJDDQQSLJQJM-BNSMALCHSA-N 390.424 1.664 50 50 GDGA COc1ccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 2864789 RFWAKAPUKTTWFB-PXLXIMEGSA-N 396.447 1.503 50 50 GDGA COc1ccc(/C=N\NC(=O)COCC(=O)N/N=C/c2ccc(OC)cc2)cc1 31769623 MYRLLPKHDCFZNW-ZCJKAFFOSA-N 398.419 1.321 50 50 GDGA CN(C)c1ccc(/C=N/NC(=O)CC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 1885377 LECKDFWWPJAFAY-HOFJZWJUSA-N 394.479 1.809 50 50 GDGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 4287261 YFTNJWSNZLXOLF-WSDLNYQXSA-N 385.420 1.983 50 50 GDGA Cc1nn(C)cc1C(=O)NNC(=O)[C@@H](C)Cn1nc(C)c(Br)c1C 2785957 XAWFIUDEJSJWME-QMMMGPOBSA-N 397.277 1.402 50 50 GDGA CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)CBr 230491197 QAQLZWBWKHLATI-UHFFFAOYSA-N 398.294 1.279 50 50 GDGA CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NNC(N)=S)cc1 5569587 IWUDELGJWOPEBX-VBKFSLOCSA-N 383.477 1.388 50 50 GDGA COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2cnccn2)cc1OC 100381979 LHKUAQZRECUHFV-YDZHTSKRSA-N 385.424 1.349 50 50 GDGA C[C@H]1CCCN(C(=O)Cn2nnc3ccccc32)[C@@H]1CCNC(=O)CCl 1875384959 ZLPKFPUWHVHCOM-DZGCQCFKSA-N 377.876 1.804 50 50 GDGA NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2571405 YLWIFNIVONXXMG-HNNXBMFYSA-N 387.348 1.671 50 50 GDGA in-vitro O=C(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)N/N=C/c1cccc([N+](=O)[O-])c1 2351274 XDTOYZKNDROUSS-XOBNHNQQSA-N 398.335 1.494 50 50 GDGA CC1=C(C#N)C(=O)N(CCO)C(=O)C1=Cc1c(C)nn(-c2ccc(C)cc2)c1O 1857524942 XGKUJTHPOCKVHD-UHFFFAOYSA-N 392.415 1.779 50 50 GDGA O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccnc1 971721 NTYHUMKKCXMJIV-CYBMUJFWSA-N 389.209 1.411 50 50 GDGA Cc1ccccc1NC(=O)[C@@H]1C(=O)N(c2ccccc2C)C(=O)/C1=N\NC(N)=O 102299629 WUXOSWOZTOAZIG-XKBVJOOISA-N 393.403 1.456 50 50 GDGA CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3ccccc3F)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 252426803 LKYBEVBENAHVPX-MUMKWKQQSA-N 394.399 1.672 50 50 GDGA CC(C)(C)C[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1NC(=O)CCl 1875383033 CYNQIJWJIRXZSB-TZMCWYRMSA-N 382.892 1.897 50 50 GDGA O=C(CCl)N[C@H]1C[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C12CCC2 1875384021 JLMWKXGKIKUTCK-QWRGUYRKSA-N 378.782 1.684 50 50 GDGA O=C(O)COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 6861987 SKRWRYRIFYXFAE-ZVBGSRNCSA-N 389.795 1.684 50 50 GDGA Cc1sc([C@H]2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)cc1Br 5536753 SEFLMUSSIFSTTC-MRVPVSSYSA-N 381.211 1.414 50 50 GDGA COc1ccc(/C=N\NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 32633806 ZMISYNRNSYESOH-FBHDLOMBSA-N 385.376 1.199 50 50 GDGA COC(=O)C1=C(C(=O)OC)N(c2ccccc2)C(N)=C(C#N)[C@H]1c1cccnc1 6659434 WFVDKYLIGCNQMX-MRXNPFEDSA-N 390.399 1.979 50 50 GDGA CCn1ncc(NC(=S)NNC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)c1C 2802356 QUVRQBBXUJDJHK-NSHDSACASA-N 394.461 1.512 50 50 GDGA CCOc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc([N+](=O)[O-])c1O 36145012 XWRQZMXBEYNTBT-LEKRSAHOSA-N 387.348 1.989 50 50 GDGA C[C@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)[C@H]1Oc2ccccc2[C@@H]1C 770409520 SUAMBYUWOQQGIB-BHDSKKPTSA-N 383.412 1.648 50 50 GDGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc(F)ccc2Br)C1 2325889204 FMFDHPSVMBFHSM-SNVBAGLBSA-N 398.232 1.774 50 50 GDGA COc1cc(OC(C)=O)c(OC)cc1/C=N/NC(=O)Cn1nnc2ccccc21 6761564 RBJARDMEMINILM-KEBDBYFISA-N 397.391 1.524 50 50 GDGA CCOC(=O)C1CCN(S(=O)(=O)N(CCCl)C(=O)OC(C)(C)C)CC1 32911354 OXPSVLYZIJEDHH-UHFFFAOYSA-N 398.909 1.982 50 50 GDGA COc1cc(C=O)c(B(O)O)cc1OCC(=O)N[C@H](CC(C)C)c1ccccc1 2325853958 JLJQMBKPYMYXHO-GOSISDBHSA-N 399.252 1.470 50 50 GDGA CCOCCOc1c(Cl)cccc1NC(=O)NNC(=O)N1CCN(C)CC1 253424207 BVSHIGNFQYAWOW-UHFFFAOYSA-N 399.879 1.749 50 50 GDGA C[C@H]1CCCN(C(=O)Cn2nnc3c2CCCC3)[C@@H]1CCNC(=O)CCl 1875384934 YVHFCAVFQFGXNC-DZGCQCFKSA-N 381.908 1.529 50 50 GDGA CCc1c(C(=O)NNC(=S)Nc2ccc(S(N)(=O)=O)cc2)csc1C 2855020 KNJZPACBZYGAPP-UHFFFAOYSA-N 398.535 1.898 50 50 GDGA CC(C)(C)n1nnc(CN(Cc2cccc3c2OCCO3)C(=O)CCl)n1 1875384869 XVVJDXXJMOINSK-UHFFFAOYSA-N 379.848 1.967 50 50 GDGA COc1ccc(NCc2nnc(SCC(=O)NN)n2-c2ccccc2)cc1 66324345 PREGYSKOPWFFTO-UHFFFAOYSA-N 384.465 1.970 50 50 GDGA C[C@H](NC(=O)NNc1nc(O)c2cnn(C)c2n1)[C@H]1Oc2ccccc2[C@H]1C 770409519 SUAMBYUWOQQGIB-BFVZDQMLSA-N 383.412 1.648 50 50 GDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)c(OC)c1OC 4210595 PEVDULGOWFBMJZ-SSDVNMTOSA-N 385.420 1.901 50 50 GDGA COc1cc([N+](=O)[O-])cc(C=NNC(=O)c2nc3nc(C)cc(C)n3n2)c1O 252678649 GUWRDXKOVXWZOP-UHFFFAOYSA-N 385.340 1.127 50 50 GDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(CN2CCOCC2)cs1 19873858 SUVUYAITCLONJB-MRXNPFEDSA-N 375.450 1.835 50 50 GDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC)c2O)cc1OC 1952597 OLMHPZZYQHWOAR-UFFVCSGVSA-N 387.392 1.298 50 50 GDGA biogenic C=CCC1=CC=C/C(=C/NNC(=O)CN2CCN(Cc3ccccc3)CC2)C1=O 19849352 XSGXRYNZNGUGEJ-PGMHBOJBSA-N 392.503 1.950 50 50 GDGA O=C(CCl)Nc1ccc(C(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1 1857619545 XVPZEJHHJYHMIV-UHFFFAOYSA-N 386.779 1.904 50 50 GDGA O=C(CCl)N[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1C(F)(F)F 1875383049 DQZLEUAGAJCLKI-CHWSQXEVSA-N 378.778 1.948 50 50 GDGA CCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(C(=O)NC)c3)ccc21 1875260506 IIAKGWQRJFASJJ-UHFFFAOYSA-N 379.420 1.799 50 50 GDGA COc1ccc(S(=O)(=O)NNC(=O)c2cn(-c3cccc(C)n3)cn2)cc1 1398870 RLLCIKZRVKRYBK-UHFFFAOYSA-N 387.421 1.208 50 50 GDGA COc1cc(/C=C(/C#N)C(=O)NCc2ccc(F)cc2)ccc1OCC(N)=O 17078258 FGSDIZNRPJYUJS-NVNXTCNLSA-N 383.379 1.922 50 50 GDGA CCOc1ccc([C@@H]2C(C#N)=C(SCC(N)=O)N=C(O)[C@@H]2C(=O)OC)cc1 8970631 AYRIKGODJLUGJR-HUUCEWRRSA-N 389.433 1.882 50 50 GDGA COC(=O)c1c(NC(=S)NNC(=O)C2CC2)sc(C(=O)N(C)C)c1C 17078514 ZMFHKOCIRDMOAK-UHFFFAOYSA-N 384.483 1.273 50 50 GDGA Cc1cc(C)cc(-n2ncc(CN(C[C@@H]3COCCO3)C(=O)CCl)n2)c1 1875383948 HNZIPYPCGMDPQB-QGZVFWFLSA-N 378.860 1.867 50 50 GDGA Cc1nnc(SCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)s1 25580885 GBCLHYXHIWPZJG-LNKIKWGQSA-N 381.395 1.726 50 50 GDGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc(OC)c1OC 2553003 YRPHCOBCMPPLOH-LSHDLFTRSA-N 389.383 1.732 50 50 GDGA Cc1ccc(C(=O)NCC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)CCl)s1 1875383610 APKNUAGBGGLSSG-OLZOCXBDSA-N 385.917 1.816 50 50 GDGA C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(B(O)O)c(C=O)c2)C[C@H](C)O1 2325873850 WKMBFUCGFMWMLA-GJZGRUSLSA-N 396.252 1.040 50 50 GDGA CCn1ncc(NC(=S)NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1C 2802271 VAKWDBKGUIDDJW-UHFFFAOYSA-N 394.461 1.341 50 50 GDGA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)OC[C@H]1O[C@H]1CBr)C(=O)C2 103584464 WVJLXXFXEMGBCM-KZWBYHQPSA-N 381.288 1.891 50 50 GDGA COc1cc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc(OC)c1OC 3576331 XCVFPCCKWBHLCR-KEBDBYFISA-N 388.376 1.940 50 50 GDGA COC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(C(C)C)c32)c2ccccc21 718404 VXECYIALLNBGEE-HXUWFJFHSA-N 393.403 1.425 50 50 GDGA COc1c(O)ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c1[N+](=O)[O-] 4721497 WMTHRUFVJKHWPW-QWWYBJBGSA-N 398.375 1.289 50 50 GDGA C=CCN1C(=O)/C(=N\NC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc21 5225087 XBIYUUZPKUXCFW-PGMHBOJBSA-N 393.359 1.586 50 50 GDGA O=C(CN1CCCCCCC1=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCl 1875383076 FVBAFFZCIYPWQG-OXQOHEQNSA-N 391.899 1.916 50 50 GDGA Cc1ccc(C(=O)NCC(=O)N2C[C@@H](NC(=O)CCl)[C@H](C3CC3)C2)cc1 1875383521 XFQFYBFVTJVMGT-JKSUJKDBSA-N 377.872 1.317 50 50 GDGA COc1cc(/C=N/NC(=O)c2nn(C)c(C)c2Br)cc(OC)c1O 676160 YYULQBDRGKYINE-REZTVBANSA-N 397.229 1.978 50 50 GDGA COC(=O)c1c(NC(=S)NNC(=O)Cc2cccn2C)sc2c1CCC2 5041583 RMVHCSAQJIZXAR-UHFFFAOYSA-N 392.506 1.922 50 50 GDGA O=C(CCl)N[C@@H]1CN(C(=O)Cc2cccc3c2OCCO3)C[C@H]1C1CC1 1875383559 YXDUEZZIMYEXJG-LSDHHAIUSA-N 378.856 1.592 50 50 GDGA CCOC(=O)NNC(=O)[C@H]1CCCN1CC(=O)N1c2ccccc2CC[C@@H]1C 225845917 NJKVOSBUZZAGPQ-WMLDXEAASA-N 388.468 1.596 50 50 GDGA C#CCCC1(CCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)N=N1 2325891939 LHHGJGMNOGBIGW-UHFFFAOYSA-N 396.495 1.702 50 50 GDGA COc1ccc(C2=NO[C@H]3[C@H]4CO[C@@H](O4)/C(=N\NC(=O)c4ccccc4)[C@H]23)cc1 824659901 KZPSFDVJTJLLMF-TXNMZJNSSA-N 393.399 1.955 50 50 GDGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc(OC)c1OC 2451459 VCOBZJKMIKLFJJ-SSDVNMTOSA-N 385.420 1.901 50 50 GDGA Cc1c(-c2ccc(/C=N/NC(=O)Cn3nnnc3N)o2)ccc([N+](=O)[O-])c1C 2188205 JCUXXAHVFVARJR-CNHKJKLMSA-N 384.356 1.191 50 50 GDGA Cc1cc(C)cc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)c1 2851018 GQESQARETNLLMG-UHFFFAOYSA-N 383.448 1.926 50 50 GDGA C[C@@]1(C(=O)NNC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1(Cl)Cl 2855505 YYYMJCVLLUKEJP-NSHDSACASA-N 397.309 1.236 50 50 GDGA COc1ccc(CCNC(=S)NNC(=O)Cc2cccn2C)cc1OC 2857315 HGKYQLLIBJQNCL-UHFFFAOYSA-N 376.482 1.323 50 50 GDGA COc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2OC)c(OC)c1 8115617 WLTJEJHOQMFWPW-UHFFFAOYSA-N 381.410 1.727 50 50 GDGA Cc1c(Br)c(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)nn1C 1118098 GFMKMFMHHVPUEM-UHFFFAOYSA-N 396.201 1.686 50 50 GDGA COc1ccc(OCC(=O)NNC(=S)Nc2ccc3c(c2)OCCO3)cc1 6398386 PZGRNPSAMMOVBC-UHFFFAOYSA-N 389.433 1.863 50 50 GDGA CCOc1ccccc1C(=O)NCC(=O)NCCSSCCC(=O)O 1875388754 PCDLBJKVGOVLFZ-UHFFFAOYSA-N 386.495 1.787 50 50 GDGA COCc1c(C(=O)N/N=C(/C)c2ccc(Cl)s2)nnn1-c1nonc1N 12362192 CCSRIMMFKTUKQW-SOFYXZRVSA-N 396.820 1.248 50 50 GDGA C[C@@H]1NC(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)=NN(c2ccccc2)C1=O 377163394 ARDHOLXAEGAQPH-LBPRGKRZSA-N 390.403 1.310 50 50 GDGA CCn1c(=O)c(C(=O)NNC(=O)COc2ccccc2)c(O)c2ccccc21 100551265 HDWQDQVEGZVMHR-UHFFFAOYSA-N 381.388 1.567 50 50 GDGA C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 229564261 ICDBABYBPUQORX-KGAUPUERSA-N 391.449 1.017 50 50 GDGA CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cc(C)cc(C)c1 2082931230 KPBROJQQPAWKJT-MRXNPFEDSA-N 399.472 1.995 50 50 GDGA CS(=O)(=O)Nc1cc(C(=O)NNc2nc(O)c3ccccc3n2)ccc1F 1875261189 UIVZOYLKAWKIEH-UHFFFAOYSA-N 391.384 1.603 50 50 GDGA CNC(=S)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1 13545346 SSWUILAKZBWVMZ-UHFFFAOYSA-N 385.276 1.942 50 50 GDGA O=C(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N/N=C/c1ccncc1 4828682 OOMOQSYVAYLNSD-UFWORHAWSA-N 376.760 1.915 50 50 GDGA COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1 2910224 FQUHJDQAWCDDMG-LNOXHEFASA-N 383.404 1.794 50 50 GDGA CCOC(=O)CNC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 5325568 MHEOMZMBNJZPDW-QMMMGPOBSA-N 378.212 1.654 50 50 GDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1OC 1952517 YGYOZKXBHNFSDI-KEBDBYFISA-N 386.364 1.492 50 50 GDGA Cc1cnc2nc(C(=O)N[C@H](CNC(=O)CCl)C3CCCCC3)nn2c1 1875384372 OAQDHVSGYYRHKO-CYBMUJFWSA-N 378.864 1.466 50 50 GDGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)ccc1O 1955609 XQYQMDRJKQZERF-UFFVCSGVSA-N 387.392 1.298 50 50 GDGA biogenic Cn1ncc2c(O)nc(NNC(=O)N[C@H]3CCCOc4cc(F)ccc43)nc21 272142934 UTXJTMOIUYTIJT-LBPRGKRZSA-N 387.375 1.748 50 50 GDGA Nc1nnnn1CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 705284 HEUUOMHVTDRQQW-NGYBGAFCSA-N 380.195 1.972 50 50 GDGA C[C@@H](C(=O)N1CCCC[C@@H]1CCNC(=O)CCl)n1nnnc1C(C)(C)C 1875384752 WIBUKKCXXIJJBD-QWHCGFSZSA-N 384.912 1.658 50 50 GDGA COc1ccccc1/C=N\NC(=O)COCC(=O)N/N=C/c1ccccc1OC 13152468 WTGXBSLLROUCTE-ZCJKAFFOSA-N 398.419 1.321 50 50 GDGA COc1cc(B(O)O)c(C=O)cc1OCc1cc(Br)ccc1F 2325854138 PJRHMKRWLLFOOA-UHFFFAOYSA-N 382.978 1.668 50 50 GDGA CC(=O)N1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)c2ccccc21 718501 WJEFVKFJUWXLOJ-NRFANRHFSA-N 398.382 1.737 50 50 GDGA O=C(N/N=C/c1c(N2CCCC2)nc2ccccn2c1=O)c1ccccc1O 5165776 HVDCYZUGUBJHIQ-FYJGNVAPSA-N 377.404 1.764 50 50 GDGA CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccccc1C 2082946039 ZKBHRXMZNGUYPH-CQSZACIVSA-N 385.445 1.687 50 50 GDGA CC(C)[C@@H](Br)CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 4576991 PHPQHWWVMVMKTD-KBPBESRZSA-N 399.285 1.724 50 50 GDGA CCn1ncc(NC(=S)NNC(=O)c2cc(C(F)(F)F)n(C)n2)c1C 2802564 SEWOXDBGGUKFEB-UHFFFAOYSA-N 375.380 1.595 50 50 GDGA Cc1ccc(OCC(=O)N/N=C\C=N/NC(=O)COc2ccc(C)cc2)cc1 95498622 MVLABYPAEWMXBJ-IINORCHSSA-N 382.420 1.965 50 50 GDGA CN(C)c1ccc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 1684478 ANEYJNOUFVDYKO-JFMUQQRKSA-N 380.452 1.419 50 50 GDGA Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1230794 SEIYWGDSRZTEBG-NSHDSACASA-N 389.209 1.065 50 50 GDGA COc1cccc(NC(=S)NNC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)c1 13470946 VBQVRAKEPFEYAU-NSHDSACASA-N 392.441 1.996 50 50 GDGA O=C(C[C@@H]1CCN(Cc2ccccc2)C1)NNC(=O)[C@H]1COc2ccccc2O1 242389658 ZZJIYQNYURBGAH-FXAWDEMLSA-N 395.459 1.886 50 50 GDGA CN(C)/C=N/NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 3064237 NXMSZMJDPFXHIY-UFFVCSGVSA-N 392.813 1.497 50 50 GDGA CC(=O)N1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)c2ccccc21 5068053 FGANRYKDBBAZNE-NRFANRHFSA-N 398.382 1.737 50 50 GDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C1/C(=O)Nc2ccccc21 100613847 SIYVFVPPJJQNJP-UHFFFAOYSA-N 377.448 1.277 50 50 GDGA Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@H](O)CCl)n2Cc1ccccc1 678512 HSOHDYCEDAOJEM-LLVKDONJSA-N 380.857 1.163 50 50 GDGA O=Cc1cc(C(=O)NCc2cc(F)ccc2Br)ccc1B(O)O 2325873652 ONAGEJJTMAHMGF-UHFFFAOYSA-N 379.978 1.011 50 50 GDGA C[C@@H](NC(=O)c1ccc(B(O)O)c(C=O)c1)c1ccc(Br)cc1F 2325873370 FLEBKVIYAQZHHJ-SECBINFHSA-N 394.005 1.572 50 50 GDGA COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(C)cc2)cc(OC)c1OC 4209825 AZCDXKJIECQFHO-SSDVNMTOSA-N 385.420 1.901 50 50 GDGA NC(=O)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccccc1 5314708 QTLLBOHAFXOZHB-PJMHOZITSA-N 382.336 1.350 50 50 GDGA O=C(NCCNC(=O)c1cccnc1)NNC(=O)c1ccc2ccccc2c1 918013791 WPUYDVRQQHJLGI-UHFFFAOYSA-N 377.404 1.609 50 50 GDGA CCCCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(B(O)O)cc1 169743932 RODHNOCSWOOPDD-UHFFFAOYSA-N 377.271 1.366 50 50 GDGA in-vitro O=C(CCl)N[C@H]1C[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C12CCC2 1875384742 VYLDTUSFEKMMEM-UWVGGRQHSA-N 376.766 1.891 50 50 GDGA Cc1cc(C)nc(NNC(=O)c2cc(-c3ccco3)n3cnc(C(N)=O)c3n2)n1 1875350241 GAYBJWATLULPKL-UHFFFAOYSA-N 392.379 1.252 50 50 GDGA CN1C(=O)/C(=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 100307897 SYVBWRCJNVSUEC-MNDPQUGUSA-N 383.320 1.542 50 50 GDGA CCCc1[nH]nc2c1[C@]1(C(=O)N(CC(=O)O)c3ccccc31)C(C#N)=C(N)O2 6024429 RQSQDRFZRWMFFI-LJQANCHMSA-N 379.376 1.166 50 50 GDGA COc1ccc2oc(=O)c(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc2c1 711452 MRPLTPURXBDBBD-UHFFFAOYSA-N 383.316 1.785 50 50 GDGA COc1ccc([C@@H]2CN(C(=O)C3=NOC(C)(C)C3)C[C@H]2NC(=O)CCl)cc1 1875383395 RUKMIMRICCBXNB-GOEBONIOSA-N 393.871 1.900 50 50 GDGA Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 2853599 NXGHIBTZMGJDEQ-NEPJUHHUSA-N 382.442 1.345 50 50 GDGA CC(C)c1n[nH]c2c1[C@]1(C(=O)N(CC(=O)O)c3ccccc31)C(C#N)=C(N)O2 6419602 UBEJTTJIYOGFBZ-LJQANCHMSA-N 379.376 1.337 50 50 GDGA O=C(CCCCC(=O)NNC(=O)[C@@H]1CC12CCC2)NNC(=O)[C@@H]1CC12CCC2 109186584 FTIFVECBSJBZQS-KBPBESRZSA-N 390.484 1.222 50 50 GDGA CCOC(=O)CN1C(=O)/C(=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 5564623 BEYZSZYJMWJEAI-DYTRJAOYSA-N 395.371 1.459 50 50 GDGA Cn1cccc1C(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCOCC1 225764267 KSQKPYFUAFGIQO-CQSZACIVSA-N 380.445 1.106 50 50 GDGA Cc1ccccc1NC(=O)[C@H]1C(=O)N(c2ccccc2C)C(=O)/C1=N\NC(N)=O 102299625 WUXOSWOZTOAZIG-PUAIJGIWSA-N 393.403 1.456 50 50 GDGA CN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c2ccccc21 4742355 BHEDUOCZCQBCSX-QFIPXVFZSA-N 384.395 1.887 50 50 GDGA COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1OC 17080783 IVGZZELVLSQGTD-UHFFFAOYSA-N 395.393 1.448 50 50 GDGA N#CC(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)=C(Cl)Cl 1857800276 JITWWRCGOPKHEE-UHFFFAOYSA-N 380.209 1.201 50 50 GDGA CCOC(=O)C1=NO[C@@H](C(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)C1 1382814 JAXKNEPBYSBXDC-SNVBAGLBSA-N 394.737 1.929 50 50 GDGA O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 130433332 ZSXMVAKIQQTPEA-KZNAEPCWSA-N 389.419 1.335 50 50 GDGA Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc(C)c1Cl 225585632 UULQGIJJFWZALO-GBOPCIDUSA-N 396.827 1.361 50 50 GDGA O=C(COc1ccc2c(c1)OCO2)NNC(=S)Nc1cccc([N+](=O)[O-])c1 2852406 OFOAJPVTSZSJLE-UHFFFAOYSA-N 390.377 1.720 50 50 GDGA O=C(CCl)NC[C@H]1CC[C@H](NC(=O)C2(n3cnnn3)CCCCC2)CC1 1875383190 KFLWVHURPQFUKN-HDJSIYSDSA-N 382.896 1.363 50 50 GDGA O=C(O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 100159363 FHBPPJNBSKRQRH-SPTMCIFVSA-N 395.047 1.239 50 50 GDGA O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccccc1Br 252394283 FCFCHLRSWAYDDY-RBJBARPLSA-N 379.210 1.733 50 50 GDGA CC(C)[C@H](Br)CC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)O 4576994 PHPQHWWVMVMKTD-ZIAGYGMSSA-N 399.285 1.724 50 50 GDGA Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC[C@H]2CCCO2)c([N+](=O)[O-])c1 2853596 NXGHIBTZMGJDEQ-NWDGAFQWSA-N 382.442 1.345 50 50 GDGA O=C(COc1ccccc1F)NNC(=S)Nc1ccc2c(c1)OCCO2 6402754 VTPVKGUMCGVXAI-UHFFFAOYSA-N 377.397 1.994 50 50 GDGA O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)NNC(=O)c1ccncc1 1209655 JBENANXXNUYHFR-QINSGFPZSA-N 396.428 1.969 50 50 GDGA C[C@H](C(=O)O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 239306265 GQINQORTNPCQEW-DHLNZZEGSA-N 395.047 1.237 50 50 GDGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1 4209864 UURDRQYPKFDYBB-KEBDBYFISA-N 375.356 1.940 50 50 GDGA COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1 2910220 FQUHJDQAWCDDMG-XMOVILSBSA-N 383.404 1.794 50 50 GDGA Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)NNC(=S)NCC(C)C)cc1 2795415 KVRPEHHFNLBLRE-UHFFFAOYSA-N 390.469 1.913 50 50 GDGA CCOC(=O)CNC(=O)C1(N(C(=O)c2ccccc2)N(C)C)CCCCC1 71769401 IFCZDKORSPHQLT-UHFFFAOYSA-N 375.469 1.988 50 50 GDGA Cc1nn(CC(=O)N2CC[C@@H](C(F)(F)F)[C@H](NC(=O)CCl)C2)c(C)c1C 1875383678 BYIIRIKEDNUORA-CHWSQXEVSA-N 394.825 1.943 50 50 GDGA CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cc(C)cc(C)c1 2082931229 KPBROJQQPAWKJT-INIZCTEOSA-N 399.472 1.995 50 50 GDGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 101861083 FBKUMQTVBOXYSM-VIZOYTHASA-N 375.253 1.881 50 50 GDGA CC1=C(C#N)C(=O)[N+]([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(F)cc1 2082943372 FYMXUGIZNFSVKT-AWEZNQCLSA-N 389.408 1.356 50 50 GDGA Cn1nncc1C(F)(F)C(=O)NCC1(NC(=O)CCl)CCCCCC1 1875383956 HSCXXNZKLRVQPC-UHFFFAOYSA-N 377.823 1.471 50 50 GDGA NNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21 1544309 XLGCMZLSEXRBSG-UHFFFAOYSA-N 387.237 1.623 50 50 GDGA investigational COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1c(Cl)cnn1C 2856193 XCDWKPZHBCXRRY-UHFFFAOYSA-N 387.874 1.861 50 50 GDGA COc1ccc(S(=O)(=O)NC2CCOCC2)cc1NC(=O)[C@H](C)Cl 1875364515 NNBNPVWNHUHGOS-JTQLQIEISA-N 376.862 1.718 50 50 GDGA O=C(O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 239306116 GLGYQBLEXPNSGK-GRRRKWKPSA-N 380.194 1.894 50 50 GDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1OC 2573264 GJQFSSKFQXMFHP-KEBDBYFISA-N 386.364 1.492 50 50 GDGA O=C(COc1ccc(Cl)cc1Br)NNC(=O)[C@@H]1CCCO1 1211790 MJQCNOVSOQTCSV-NSHDSACASA-N 377.622 1.808 50 50 GDGA Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC[C@H]2CCCO2)c([N+](=O)[O-])c1 2853597 NXGHIBTZMGJDEQ-VXGBXAGGSA-N 382.442 1.345 50 50 GDGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@@H]2O)[C@@](O)(CCCCl)[C@H]1O3 257355319 AGWNNXXAASUYJC-HAGFVWGYSA-N 380.941 1.968 50 50 GDGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2OC)c1 2900011 UAAUPHQERVBXCQ-RGVLZGJSSA-N 387.392 1.810 50 50 GDGA CN1/C(=C(\C#N)C(=O)CN2CCN(C3CC3)[C@H](C(N)=O)C2)Sc2ccccc21 1875267303 IMOYQWFHGLXQLT-IEOAWGNMSA-N 397.504 1.167 50 50 GDGA COC(=O)c1cc(NNC(=O)c2ccc(CS(C)(=O)=O)cc2)ccc1F 1297811040 TTWYPCFAYGQVDK-UHFFFAOYSA-N 380.397 1.914 50 50 GDGA O=Cc1c(OCc2cccc(F)c2I)cccc1B(O)O 2325826243 VNYCLDCXCTWORN-UHFFFAOYSA-N 399.952 1.502 50 50 GDGA Cn1ncc2c(O)nc(NNC(=O)N[C@@H]3CCCOc4cc(F)ccc43)nc21 272142933 UTXJTMOIUYTIJT-GFCCVEGCSA-N 387.375 1.748 50 50 GDGA O=C(CCl)NC[C@@H]1CN(C(=O)[C@]2(c3ccccc3)CCCO2)CCCO1 1875384968 ZQIGUCKMZBFTJX-VQIMIIECSA-N 380.872 1.665 50 50 GDGA C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](O)[C@@](O)(CCl)[C@H]2[C@H]2OC(=O)C(=C)[C@@H]12 1848443671 ONMAQPPVCANFPB-XEEJXEAVSA-N 382.840 1.499 50 50 GDGA CCCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)cc1 13320752 BFKMZBJDLYWEOG-CXDFQFJYSA-N 381.498 1.987 50 50 GDGA COC(=O)CCC(=O)NNC(=O)c1cccc(I)c1 2937698 JSMVXHKIGHEABM-UHFFFAOYSA-N 376.150 1.005 50 50 GDGA O=C(NNC(=S)Nc1ccccc1)C(=O)NNC(=S)Nc1ccccc1 1569766 PRMYDHXIMVQHMP-UHFFFAOYSA-N 388.478 1.022 50 50 GDGA Cc1nnsc1C(=O)NNS(=O)(=O)c1ccc(Br)cc1 1406745 GTKKEKWPGDZTMK-UHFFFAOYSA-N 377.245 1.232 50 50 GDGA Cc1cc(C)nc(NNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)n1 369770443 QABSQWXVJWMOQQ-IKGGRYGDSA-N 380.452 1.877 50 50 GDGA CCCN1CCC(=NNC(=O)CCC(=O)NN=C2CCN(CCC)CC2)CC1 4611222 PBLWQHPMKCWSEC-UHFFFAOYSA-N 392.548 1.723 50 50 GDGA C[C@@H]1CCCN(C(=O)Cn2nnc3c2CCCC3)[C@@H]1CCNC(=O)CCl 1875384937 YVHFCAVFQFGXNC-UKRRQHHQSA-N 381.908 1.529 50 50 GDGA Cn1cccc1C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCOCC1 225764290 KSQKPYFUAFGIQO-AWEZNQCLSA-N 380.445 1.106 50 50 GDGA COc1nn([C@@H](C)C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1[N+](=O)[O-] 13331860 XOQCHHIZTZZBPS-VUMAHTSQSA-N 395.759 1.893 50 50 GDGA COc1ccc(N2C[C@@H](C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)CC2=O)cc1 38170754 BAQAZTAUSADEMZ-NPNVKNKFSA-N 398.375 1.812 50 50 GDGA Cc1cc(C)nc(NNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)n1 369770440 QABSQWXVJWMOQQ-BRWVUGGUSA-N 380.452 1.877 50 50 GDGA CCOC(=O)CN1C(=O)C[C@](C)(N(C(=O)c2ccc(Cl)cc2)N(C)C)C1=O 71769425 XHFXOHODPQOLFR-SFHVURJKSA-N 395.843 1.340 50 50 GDGA O=C(O)CCSSCCNC(=O)CCn1nc(O)c2ccccc2c1=O 1875388422 ANCFELYJLJTIQM-UHFFFAOYSA-N 397.478 1.465 50 50 GDGA COCCNC(=S)NNC(=O)CSCc1ccccc1Br 2851784 HGLBKVDJIDGFEZ-UHFFFAOYSA-N 392.344 1.824 50 50 GDGA O=C(NCC1CC1)NNS(=O)(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)no1 888096716 JVMVSMWZKUMGLW-UHFFFAOYSA-N 381.370 1.152 50 50 GDGA Cc1ccc(C(=O)NCC(=O)NC2(CNC(=O)CCl)CCCCC2)cc1 1875384233 MTUGABIETBWDIX-UHFFFAOYSA-N 379.888 1.899 50 50 GDGA COC(=O)c1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 1211143 PMCUUYZSYNFQDO-BFTVFPACSA-N 395.415 1.985 50 50 GDGA COc1cc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc(OC)c1OC 138226604 SZVTZMSBOHFBGJ-FCIDVOKBSA-N 392.408 1.220 50 50 GDGA Cc1n[nH]c2c1[C@H](c1ccc(OC(=O)N3CCOCC3)cc1)C(C#N)=C(N)O2 1177012 NDXZJHUYXGVFRE-MRXNPFEDSA-N 381.392 1.767 50 50 GDGA Cc1nn(CC(=O)NNC(=O)c2cccc(Br)c2)c(C)c1[N+](=O)[O-] 2748913 AYSDDVQIAHZWSG-UHFFFAOYSA-N 396.201 1.632 50 50 GDGA Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)cc(C)c1Cl 138896391 UULQGIJJFWZALO-RJZRQDKASA-N 396.827 1.361 50 50 GDGA Cc1cc(OCC(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)ccc1Cl 138687645 ZJHXZAWJJOOHEP-DPDCMNJDSA-N 380.828 1.922 50 50 GDGA COc1cc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc(OC)c1OC(C)=O 5403217 IZCVHLYEOFXSGW-KEBDBYFISA-N 386.408 1.995 50 50 GDGA COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)NC(C)=C2C#N)cc(OC)c1OC 4717996 FYUIEIILGXDSCI-MRXNPFEDSA-N 399.325 1.671 50 50 GDGA O=C(CNC(=O)OCc1ccccc1)NCC(=O)Oc1ccc([N+](=O)[O-])cc1 1708439 VJPZTTLCVFONEM-UHFFFAOYSA-N 387.348 1.543 50 50 GDGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1ccc(N2CCCC2=O)cc1 25761265 FHZMTKYCVLRKKX-UHFFFAOYSA-N 393.359 1.808 50 50 GDGA CCn1ncc(NC(=S)NNC(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)c1C 2802355 QUVRQBBXUJDJHK-LLVKDONJSA-N 394.461 1.512 50 50 GDGA COc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc(Cl)cc1 4946596 OUPCYHCVZXUAIM-UHFFFAOYSA-N 377.784 1.514 50 50 GDGA COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)cc(OC)c1O 32223180 GECYCAPXJDJIMY-WCIAWYDSSA-N 383.404 1.389 50 50 GDGA O=C(COc1ccc(Cl)cc1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 792882 LJWGKGCDICSCHL-UHFFFAOYSA-N 385.785 1.637 50 50 GDGA Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)CCl)s1 1875383611 APKNUAGBGGLSSG-QWHCGFSZSA-N 385.917 1.816 50 50 GDGA CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)OC3)c2ccccc21 4624516 POPDJNNALHBBRL-QFIPXVFZSA-N 384.395 1.926 50 50 GDGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c(OC)c1OC 1444275 AWHHABHMEJBXPC-AWEZNQCLSA-N 386.360 1.376 50 50 GDGA Cc1cc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2C)[nH]n1 5042162 NNFXISNRRRIYMJ-UHFFFAOYSA-N 381.230 1.937 50 50 GDGA COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)cc(OC)c1O 32223184 GECYCAPXJDJIMY-AOSDKKKWSA-N 383.404 1.389 50 50 GDGA O=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccccc1Br 2868802 PJJLZSWXSQUOBM-UHFFFAOYSA-N 382.258 1.907 50 50 GDGA COC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1OC 9089576 CZXSSZSUXAZXNW-ZIAGYGMSSA-N 375.406 1.492 50 50 GDGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c(OC)c1OC 1444274 AWHHABHMEJBXPC-CQSZACIVSA-N 386.360 1.376 50 50 GDGA COc1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 3009023 IBHGMXRHUFOQQQ-RGVLZGJSSA-N 387.392 1.810 50 50 GDGA CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)c2c(C)n[nH]c21 5488945 MBBICUJMHSWDBO-LJQANCHMSA-N 379.376 1.000 50 50 GDGA Cn1nccc1C(F)(F)C(=O)N[C@H](CNC(=O)CCl)C1CCCCC1 1875384893 YDUMBTCVBGQJJL-GFCCVEGCSA-N 376.835 1.932 50 50 GDGA O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2865114 RNEJDXUKBJAPSS-UHFFFAOYSA-N 394.727 1.996 50 50 GDGA COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1Cn1cnc([N+](=O)[O-])n1 19800556 XRVPSFQVZBNLOM-UFWORHAWSA-N 384.352 1.909 50 50 GDGA CNC(=S)NNC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 3041800 LHHHLAAAAOJTNY-UHFFFAOYSA-N 384.383 1.654 50 50 GDGA O=C(CCl)NC[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CCCO1 1875384696 UWSHWOQDOKVXLR-GDBMZVCRSA-N 379.844 1.152 50 50 GDGA C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1cc(Br)ccc1O 5480062 JYBOIIMNFNIQIL-VIZOYTHASA-N 383.162 1.460 50 50 GDGA COc1ccc(/C(C[C@@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)=N\NC(N)=O)cc1 25574169 PSBRXVUABGHACF-IGCAKMCNSA-N 399.363 1.206 50 50 GDGA COc1ccc(/C=N/NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccccc12 17079500 MPJPXXJQHMZBMI-RVZJCZPVSA-N 389.477 1.970 50 50 GDGA C[C@H]1CCCN(C(=O)Cn2nnc3ccccc32)[C@H]1CCNC(=O)CCl 1875384962 ZLPKFPUWHVHCOM-ZFWWWQNUSA-N 377.876 1.804 50 50 GDGA O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 130433956 ZSXMVAKIQQTPEA-OKZBNKHCSA-N 389.419 1.335 50 50 GDGA O=C(CCl)N[C@@H]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)C12CCC2 1875384741 VYLDTUSFEKMMEM-NXEZZACHSA-N 376.766 1.891 50 50 GDGA CCOC(=O)/C(C#N)=C\C(C#N)=C(\N)N1CCN(c2ccc(OC)cc2)CC1 5195097 UOMFEVXXAXHSQX-XZSJGBCJSA-N 381.436 1.524 50 50 GDGA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NNC(=S)NC[C@H]1CCCO1 8243202 MMHHTFLWLARNEL-MWLCHTKSSA-N 375.853 1.921 50 50 GDGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 2894193 CRDGPABJIYPAOP-REZTVBANSA-N 388.292 1.761 50 50 GDGA NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 4521930 YLWIFNIVONXXMG-OAHLLOKOSA-N 387.348 1.671 50 50 GDGA Cc1cc(Br)cc2cc(C(=O)NNC(=O)C(=O)N3CCCC3)oc12 155200226 NERBJDHJTWRPMC-UHFFFAOYSA-N 394.225 1.887 50 50 GDGA COc1c(/C=N/NC(=O)Cc2nc3ccccc3[nH]c2=O)cccc1[N+](=O)[O-] 18020788 AFLKFOHACAOWTC-VXLYETTFSA-N 381.348 1.533 50 50 GDGA O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccco1 2553573 SFAXRLABDWQNKV-CAOOACKPSA-N 397.172 1.764 50 50 GDGA Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2O)c1-c1ccccc1 1814024 PLQJCYJLGXLYSA-KEBDBYFISA-N 390.363 1.369 50 50 GDGA CO[C@H]1[C@H](C2C(C#N)=C(N)SC(N)=C2C#N)O[C@H]2OC3(CCCCC3)O[C@H]21 245312532 VQNWGPRGHHAATM-WSMBLCCSSA-N 390.465 1.553 50 50 GDGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2C)cc(OC)c1OC 2552792 ALFQJCCAKAECPT-SSDVNMTOSA-N 385.420 1.901 50 50 GDGA O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C\c1ccc(O)c(O)c1 28638881 RFLYKJDOCKZJGW-GRSHGNNSSA-N 397.416 1.894 50 50 GDGA O=C(CCl)N[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccc1 1875384395 OEYXZJSWYOQDCH-IRXDYDNUSA-N 386.835 1.981 50 50 GDGA CCCc1n[nH]c2c1[C@H](c1ccc(OCC(N)=O)c(OCC)c1)C(C#N)=C(N)O2 1111634 OQHOMSHVURBTNH-QGZVFWFLSA-N 397.435 1.843 50 50 GDGA CS(=O)(=O)N1CCC(C(=O)NNC(=O)Nc2ccc(F)c(Cl)c2)CC1 5041287 ALLASSURLMVFPB-UHFFFAOYSA-N 392.840 1.303 50 50 GDGA COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc([N+](=O)[O-])c1O 35337440 WRGLSYGBOPUCJA-BOVVSOGOSA-N 398.375 1.289 50 50 GDGA COc1ccc(C2=NO[C@@H]3[C@H]2/C(=N/NC(=O)c2ccccc2)[C@H]2OC[C@H]3O2)cc1 824659896 KZPSFDVJTJLLMF-CPERWGNMSA-N 393.399 1.955 50 50 GDGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)Nc2cc(OC)ccc2Cl)C1 1875371905 PIRVBGRDQBRGAD-LLVKDONJSA-N 380.832 1.926 50 50 GDGA O=C(CCl)N[C@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccccc1 1875384393 OEYXZJSWYOQDCH-IAGOWNOFSA-N 386.835 1.981 50 50 GDGA C[C@H]1NC(C(=O)NNc2ccc3c(=O)[nH]ccc3c2)=NN(c2ccccc2)C1=O 377163393 ARDHOLXAEGAQPH-GFCCVEGCSA-N 390.403 1.310 50 50 GDGA CCCn1c(=O)c(C(=O)NNC(=O)COc2ccccc2)c(O)c2ccccc21 100521689 IZNKJGFZHLQYGG-UHFFFAOYSA-N 395.415 1.957 50 50 GDGA Cc1c(Cl)cccc1NC(=O)C(=O)NNS(=O)(=O)c1ccc(F)cc1 2873305 ZAVNOZUFPXRLBK-UHFFFAOYSA-N 385.804 1.736 50 50 GDGA COC(=O)c1cc(NC(=S)NNC(=O)c2cccs2)cc(C(=O)OC)c1 2236813 QIIMTXXNGBKWSD-UHFFFAOYSA-N 393.446 1.953 50 50 GDGA CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c2ccccc21 4742354 BHEDUOCZCQBCSX-JOCHJYFZSA-N 384.395 1.887 50 50 GDGA Cc1c(/C=C(\C#N)C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)cc(C#N)n1C 222284319 KGCPLRQDZMNNHZ-XPUDNMOSSA-N 377.379 1.783 50 50 GDGA COc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N/NC(=O)C(N)=O)cc1 5495939 GXWHSIVQDVLJBX-XKZIYDEJSA-N 390.440 1.377 50 50 GDGA O=C(CCCCC(=O)NNC(=O)[C@@H]1CC12CCC2)NNC(=O)[C@H]1CC12CCC2 109186581 FTIFVECBSJBZQS-OKILXGFUSA-N 390.484 1.222 50 50 GDGA O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC[C@H]1CCCO1 5063014 UNOVQQKNGISIGF-LLVKDONJSA-N 384.889 1.733 50 50 GDGA C[C@@]1(C(=O)N2CCCO[C@H](CNC(=O)CCl)C2)OCCc2ccccc21 1875384532 SAKQWDXVWPFHEJ-DNVCBOLYSA-N 380.872 1.447 50 50 GDGA N#C/C(=C\c1c(N2CCCCC2)nc2ccccn2c1=O)C(=O)N1CCOCC1 957007 TXLKLFZKFYTAIR-JQIJEIRASA-N 393.447 1.451 50 50 GDGA CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=O)C(=O)Oc1ccc([N+](=O)[O-])cc1 71788014 PMMYKHSVTAQXLJ-ZDUSSCGKSA-N 396.400 1.842 50 50 GDGA in-vitro C/C(N)=C(\C#N)C(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 253397305 PCCYXMDXUKAHGC-UYRFQTLESA-N 387.436 1.221 50 50 GDGA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)c1cnn[nH]1 732763884 LTBKHBPSCSXPRR-VHDGCEQUSA-N 396.451 1.350 50 50 GDGA Cc1cc(C)nc(NNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)n1 369770444 QABSQWXVJWMOQQ-IXDOHACOSA-N 380.452 1.877 50 50 GDGA Cc1cc2ccccc2nc1NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 272009297 ZLZWAXFMXQEQOC-WVRYCFJFSA-N 394.431 1.537 50 50 GDGA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NNC(=S)NC[C@@H]1CCCO1 8243196 MMHHTFLWLARNEL-KOLCDFICSA-N 375.853 1.921 50 50 GDGA C[C@H](Cl)C(=O)NC1[C@H]2CC(NC(=O)OC(C)(C)C)C[C@H]1CS(=O)(=O)C2 1875380103 FOANPYLIOHNVGP-QGIMUDHVSA-N 394.921 1.446 50 50 GDGA CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1O 36178000 NKSSCNLKNULGMF-ARFNDINWSA-N 387.348 1.989 50 50 GDGA O=C(NNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1cccnc1 1124911 MQBAFXNYEJIZTB-UHFFFAOYSA-N 390.355 1.546 50 50 GDGA biogenic CCOC(=O)C1CCN(c2ccc(/C=N/NC(=O)c3cccn3C)cn2)CC1 20386832 CQUUNVTXSDUOQU-HYARGMPZSA-N 383.452 1.964 50 50 GDGA CCN1C(=O)/C(=N\NC(=O)c2cc(C)n[nH]2)c2cc(Br)ccc21 18115812 DRPJFSOSCQDNQN-UYRXBGFRSA-N 376.214 1.981 50 50 GDGA COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Cn1cnc([N+](=O)[O-])n1 27520742 TVJIGMYUFUNCOF-AWQFTUOYSA-N 396.363 1.713 50 50 GDGA CCOC(=O)NNC(=O)[C@@H]1CCCN1CC(=O)N1c2ccccc2CC[C@@H]1C 225845898 NJKVOSBUZZAGPQ-YOEHRIQHSA-N 388.468 1.596 50 50 GDGA CO[C@H]1[C@H](C2C(C#N)=C(N)SC(N)=C2C#N)O[C@@H]2OC3(CCCCC3)O[C@@H]12 245312529 VQNWGPRGHHAATM-AYMQEEERSA-N 390.465 1.553 50 50 GDGA COc1ccc(N([C@@H](C)C(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)cc1 55437070 IRJXIWDHSAERSK-ZDUSSCGKSA-N 382.486 1.048 50 50 GDGA CCOC(=O)C1=C(CBr)N(CCO)C(=O)N[C@@H]1c1ccccc1 4784019 ISMNDJHVJMRAPP-CQSZACIVSA-N 383.242 1.957 50 50 GDGA O=C(CCl)NC[C@H]1CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CCCO1 1875384698 UWSHWOQDOKVXLR-HOCLYGCPSA-N 379.844 1.152 50 50 GDGA CCn1ncc2c(C(=O)NNC(=O)c3cnn(C)c3)cc(-c3ccccc3)nc21 117681942 NYRGONXLUHHQLG-UHFFFAOYSA-N 389.419 1.927 50 50 GDGA CSc1sc(C)cc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1C 2933941 DEAYQHRBVVCSSL-PJQLUOCWSA-N 378.443 1.397 50 50 GDGA O=C(C[C@H]1CCN(Cc2ccccc2)C1)NNC(=O)[C@H]1COc2ccccc2O1 242389659 ZZJIYQNYURBGAH-YLJYHZDGSA-N 395.459 1.886 50 50 GDGA O=C(O)CCOCCOCCSSCCOCCOCCC(=O)O 258837539 TZKZHEPGHNBGKD-UHFFFAOYSA-N 386.488 1.384 50 50 GDGA CCOc1ccc([C@H]2C(C#N)=C(SCC(N)=O)N=C(O)[C@@H]2C(=O)OC)cc1 8970629 AYRIKGODJLUGJR-LSDHHAIUSA-N 389.433 1.882 50 50 GDGA COC(=O)CSC1=C(C#N)[C@H](c2ccccc2OC)[C@@H](C(=O)OC)C(=O)N1 9348024 GHOGZMABNBYCRE-LSDHHAIUSA-N 390.417 1.339 50 50 GDGA O=C(C[C@@H]1C(=O)NCCN1C(=O)CCl)Nc1cccc(C(F)(F)F)c1 66324483 GIFXSYKJAQACDV-LLVKDONJSA-N 377.750 1.600 50 50 GDGA Cc1cn(CC(=O)N2CCCO[C@@H](CNC(=O)CCl)C2)c2ccccc12 1875384776 WXXGCCIQYIJQNN-HNNXBMFYSA-N 377.872 1.922 50 50 GDGA Cn1ccc(-c2cc(C(=O)NC3(CNC(=O)CCl)CCCCC3)no2)n1 1875384515 RJWFWVYPBPQURB-UHFFFAOYSA-N 379.848 1.863 50 50 GDGA Cc1nn(CC(=O)N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)CCl)C2)c(C)c1C 1875383681 BYIIRIKEDNUORA-STQMWFEESA-N 394.825 1.943 50 50 GDGA C[C@H](C(=O)NNc1ccc2ccccc2n1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 271972298 JYKYWFGBBOWNPW-XPJRSKKXSA-N 380.404 1.229 50 50 GDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)c(OC)c1OC 2552800 MHLQWSHLWOBOOU-LSHDLFTRSA-N 389.383 1.732 50 50 GDGA CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1OC 1229507 GCMWVBXYNXUTNK-KEBDBYFISA-N 388.376 1.812 50 50 GDGA CC1(C)CC(=NNC(=O)C(=O)NN=C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1 4536328 OFOXJVQRDWBQAL-UHFFFAOYSA-N 392.548 1.812 50 50 GDGA O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccccc1 239235773 WRJMXBUVYUAIHB-SLQSZJTJSA-N 379.206 1.984 50 50 GDGA C=CCN1C(=O)/C(=N\NC(=O)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc21 3211459 VPOGUPFTDTXHJI-JWGURIENSA-N 392.371 1.376 50 50 GDGA COCCCNC(=S)NNC(=O)c1ccccc1I 2855831 DNXDMNCRRBATDG-UHFFFAOYSA-N 393.250 1.437 50 50 GDGA Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)c([N+](=O)[O-])c1 9272322 IMGCDVZJJZSZSR-UHFFFAOYSA-N 399.319 1.663 50 50 GDGA C[C@H](Oc1ccc(F)cc1Cl)C(=O)NNC(=S)NC[C@@H]1CCCO1 8239012 MMHHTFLWLARNEL-ONGXEEELSA-N 375.853 1.921 50 50 GDGA CC[C@H](Br)C(=O)OCCCNC1=NS(=O)(=O)c2ccccc21 6168133 QOVFAECROAOLRK-NSHDSACASA-N 389.271 1.832 50 50 GDGA COc1ccc(/C=N\NC(=O)c2nn(C)cc2Cl)cc1CN1CCOCC1 30860386 MGSRFOIMAFWMOE-JMIUGGIZSA-N 391.859 1.678 50 50 GDGA O=C(O)Cc1ccc(S(=O)(=O)NNC(=O)c2cccc3cccnc23)cc1 739886343 BGOYUKOYGQTBGC-UHFFFAOYSA-N 385.401 1.485 50 50 GDGA O=C(CCl)N[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(F)cc2)C12CCC2 1875384457 PXSVJWPGTMPPNF-UONOGXRCSA-N 381.835 1.224 50 50 GDGA Cc1nnnn1CC(=O)N[C@@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875383614 ASIBHAXEIJPNRW-INIZCTEOSA-N 386.843 1.347 50 50 GDGA O=C(CS(=O)(=O)c1ccc(Cl)cc1)N/N=C1\C(=O)Nc2ccccc21 6476378 CGAYLAGXHNXQCQ-UHFFFAOYSA-N 377.809 1.586 50 50 GDGA CCOC(=O)NNS(=O)(=O)c1ccc(NC(=O)CCCCCl)cc1 864097431 SEFPVLGOPPPSKD-UHFFFAOYSA-N 377.850 1.974 50 50 GDGA COCCCNC(=O)CC(=O)N/N=C/c1cc(Br)ccc1OC 2917658 URHGEUVPICYUQR-VCHYOVAHSA-N 386.246 1.451 50 50 GDGA CCOC(=O)NNC(=O)[C@H]1CCCN1CC(=O)N1c2ccccc2CC[C@H]1C 252538929 NJKVOSBUZZAGPQ-RHSMWYFYSA-N 388.468 1.596 50 50 GDGA O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)NNC(=O)c1cccnc1 1207694 KKXIIGMFNGKTOS-PTNGSMBKSA-N 396.428 1.969 50 50 GDGA N#Cc1ccc(NNC(=O)c2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)c1 803361658 XUXLLXNYJZQSAJ-UHFFFAOYSA-N 384.339 1.981 50 50 GDGA Cc1cccc(C)c1OCCC(=O)N1CCO[C@@H]2CN(C(=O)CCl)C[C@@H]21 1875384094 LJVBSHVDJBJDLH-JKSUJKDBSA-N 380.872 1.749 50 50 GDGA O=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1ccc(Br)cc1 2506438 HSSDJUYJIPLNTA-CAOOACKPSA-N 378.182 1.949 50 50 GDGA O=C(C[C@H]1C(=O)NCCN1C(=O)CCl)Nc1cccc(C(F)(F)F)c1 66324484 GIFXSYKJAQACDV-NSHDSACASA-N 377.750 1.600 50 50 GDGA COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1 5010139 XWIYASPHJDBHFT-HCZVKUGISA-N 376.438 1.395 50 50 GDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(CN2CCOCC2)cs1 19873860 SUVUYAITCLONJB-INIZCTEOSA-N 375.450 1.835 50 50 GDGA CN(C)S(=O)(=O)CCN(Cc1cccc2nsnc12)C(=O)CCl 1875384417 OQWWOTZBHIZQGK-UHFFFAOYSA-N 376.891 1.150 50 50 GDGA COc1c(O)ccc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c1[N+](=O)[O-] 4721500 WMTHRUFVJKHWPW-IUGPNANMSA-N 398.375 1.289 50 50 GDGA CCn1c(CNc2ccc(Br)cc2)nnc1SCC(=O)NN 34925123 JAGMKDCATCWNTR-UHFFFAOYSA-N 385.291 1.755 50 50 GDGA C=CC(=O)N1CCC(C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 1875367566 OPOGDLXGWSUGTQ-UHFFFAOYSA-N 375.856 1.944 50 50 GDGA CCOC(=O)C1=C(CBr)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 1422329 UBSRXAISBAOYTJ-CYBMUJFWSA-N 383.198 1.981 50 50 GDGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@@H]2O)[C@](O)(CCCCl)[C@H]1O3 257355321 AGWNNXXAASUYJC-LYUQKSEZSA-N 380.941 1.968 50 50 GDGA CN(NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(N)=O)c1)c1ccccc1 5668597 KMZCUBDUVNKSRR-UHFFFAOYSA-N 382.829 1.478 50 50 GDGA COC(=O)c1ccc(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 2176486 OXBRXTKHWKZFRA-SSDVNMTOSA-N 399.403 1.371 50 50 GDGA C=C(C)C(=O)O[C@@H]1[C@@H](OCC)C(C=O)=CCCC(CO)=C[C@H]2OC(=O)C(=C)[C@H]12 1772820337 JSCXGQXFCTYXGO-XWSJACJDSA-N 390.432 1.815 50 50 GDGA O=C(CCl)NCc1ccc(CNC(=O)[C@@]23CCCC[C@@H]2NC(=O)C3)c(F)c1 1875383320 ORRUSZLOLYOAOM-HNAYVOBHSA-N 395.862 1.746 50 50 GDGA CCN(C)C(=O)c1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)c1 253392605 DVXVJZXUWRNQHA-UHFFFAOYSA-N 382.420 1.487 50 50 GDGA CCN1C(=O)[C@@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c2ccccc21 4728107 UPWPVSNQBFXQIB-OAQYLSRUSA-N 377.448 1.784 50 50 GDGA COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2OC)[C@@H](C(=O)OC)C(=O)N1 9348027 GHOGZMABNBYCRE-HUUCEWRRSA-N 390.417 1.339 50 50 GDGA CCn1cc(Cl)c(C(=O)NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n1 653748 ILXYMSMKDDSABN-UHFFFAOYSA-N 383.796 1.129 50 50 GDGA CN(C)S(=O)(=O)c1ccc(C(=O)NCCSSCCC(=O)O)cc1 1875389466 PPDKFXSYWBADRE-UHFFFAOYSA-N 392.524 1.523 50 50 GDGA CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)c2c(C)n[nH]c21 5488946 MBBICUJMHSWDBO-IBGZPJMESA-N 379.376 1.000 50 50 GDGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)N2CCOCC2)cs1 2910581 YJOVUXSHPQMYPZ-UHFFFAOYSA-N 398.418 1.896 50 50 GDGA Cc1cc(/C=C(\C#N)C(=O)NC2(c3nnn[nH]3)CC2)c(C)n1C[C@H]1CCCO1 221933267 SJEUKKNTNNCGQI-HTRKUNOGSA-N 381.440 1.510 50 50 GDGA CCNC(=O)NNC(=O)COc1ccc2c(C(=O)OCC)c3ccccn3c2c1 4053740 RKCGOBKAZWHKIC-UHFFFAOYSA-N 398.419 1.998 50 50 GDGA COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(F)cc2)cc1OC 5918239 QZKYZJIQGDQJQB-UHFFFAOYSA-N 377.397 1.792 50 50 GDGA O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NNC(=O)c1ccccc1O 1233956 PQEZZYYEYRWIGK-GDNBJRDFSA-N 397.412 1.890 50 50 GDGA aggregator Cc1nn(CC(=O)N2CC[C@H](C(F)(F)F)[C@H](NC(=O)CCl)C2)c(C)c1C 1875383680 BYIIRIKEDNUORA-QWHCGFSZSA-N 394.825 1.943 50 50 GDGA C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)NNC(=O)c1cnn[nH]1 732763885 LTBKHBPSCSXPRR-YUELXQCFSA-N 396.451 1.350 50 50 GDGA O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccncc1 1190645 OEXGVVWDYQLVAD-UVTDQMKNSA-N 398.469 1.744 50 50 GDGA C[C@]1(C(=O)N2CCCO[C@@H](CNC(=O)CCl)C2)OCCc2ccccc21 1875384534 SAKQWDXVWPFHEJ-KXBFYZLASA-N 380.872 1.447 50 50 GDGA COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2OC)[C@H](C(=O)OC)C(=O)N1 9110124 GHOGZMABNBYCRE-CABCVRRESA-N 390.417 1.339 50 50 GDGA O=C(Cc1ccccc1)NCC(=O)N[C@@H]1C[C@H](NC(=O)CCl)C12CCC2 1875384421 ORZQNIVYKCRVFL-LSDHHAIUSA-N 377.872 1.128 50 50 GDGA CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3ccccc3F)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 252426805 LKYBEVBENAHVPX-ZCAMMIKQSA-N 394.399 1.672 50 50 GDGA O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(F)cc1 1954707 ZIQLUWHRMBJPLB-RQZCQDPDSA-N 380.357 1.163 50 50 GDGA CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=S)N[C@@H](C)c2ccccc2)C1 13322430 FRXRBAZLZGZPLI-ZFWWWQNUSA-N 398.554 1.305 50 50 GDGA O=C(CCl)N[C@H]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)C12CCC2 1875384743 VYLDTUSFEKMMEM-VHSXEESVSA-N 376.766 1.891 50 50 GDGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 4210288 BVAISELYENFCCK-HYARGMPZSA-N 394.431 1.556 50 50 GDGA Cc1ccc(CC2CCN(C(=O)c3ccc(B(O)O)c(C=O)c3)CC2)cc1C 2325873872 XCASCWTXDNSLDW-UHFFFAOYSA-N 379.265 1.891 50 50 GDGA CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)OC3)c2ccccc21 4624514 POPDJNNALHBBRL-JOCHJYFZSA-N 384.395 1.926 50 50 GDGA O=C(CNC(=O)NCc1ccco1)NNC(=O)Nc1ccccc1C(F)(F)F 2155874 WBHLORFEPAICRB-UHFFFAOYSA-N 399.329 1.951 50 50 GDGA C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 239306264 GQINQORTNPCQEW-DBVGBIOKSA-N 395.047 1.237 50 50 GDGA COC(=O)C1=C(C(=O)OC)N(c2ccccc2)C(N)=C(C#N)[C@@H]1c1cccnc1 6659433 WFVDKYLIGCNQMX-INIZCTEOSA-N 390.399 1.979 50 50 GDGA COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NNc1cnccn1)N2C(=O)OC(C)(C)C 863875535 ZTBSTDUMOPSKBT-AUZPSNTRSA-N 391.428 1.107 50 50 GDGA COc1ccc(NC(=O)NNC(=O)CCc2ccc(O)c(O)c2)cc1OC 1117472 ADPAWRJLLBMFFW-UHFFFAOYSA-N 375.381 1.901 50 50 GDGA COc1c(O)ccc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c1[N+](=O)[O-] 4721492 WMTHRUFVJKHWPW-HFOVQJBCSA-N 398.375 1.289 50 50 GDGA COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OC)cc2OC)c1 2901129 WSXHPIWHILKEGW-RGVLZGJSSA-N 387.392 1.810 50 50 GDGA O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccnc1 100905222 NTYHUMKKCXMJIV-ZDUSSCGKSA-N 389.209 1.411 50 50 GDGA COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)cc(OC)c1O 32223182 GECYCAPXJDJIMY-BLGGGRMTSA-N 383.404 1.389 50 50 GDGA COc1sc(SC)cc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1C 2933664 ZUOQCWOPENQOCT-PJQLUOCWSA-N 394.442 1.097 50 50 GDGA COc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O 20066027 JNWFXEZBCVEKRX-HYARGMPZSA-N 382.464 1.669 50 50 GDGA COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cc(C(F)(F)F)n[nH]3)C2=O)cc1 6490668 FQRWJOFTIRDBDF-LLVKDONJSA-N 397.313 1.004 50 50 GDGA COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OCC(N)=O 8182707 UUSZRDXTJFSOPY-LSHDLFTRSA-N 385.420 1.705 50 50 GDGA COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(F)cc2F)c(OC)c1 5060385 PDLQCJMLCFQOKX-UHFFFAOYSA-N 387.364 1.997 50 50 GDGA O=C(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 1885390 OSMWJGYZAAJYFU-XOBNHNQQSA-N 398.335 1.494 50 50 GDGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C(\C)c2cc[nH]n2)sc(C)c1C 1875252871 VUGZFSOPGTVDJW-DJKKODMXSA-N 377.426 1.744 50 50 GDGA Cc1ccc(OCC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 2858311 BVLSWDSBCPROTR-UHFFFAOYSA-N 388.336 1.864 50 50 GDGA C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(NS(C)(=O)=O)cc1 13108832 JTHAGPPGBXOKPW-WOJGMQOQSA-N 375.406 1.941 50 50 GDGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2OC)c1 4326720 SMQQEDAJMKGWCR-RGVLZGJSSA-N 387.392 1.810 50 50 GDGA COc1cc(/C=N/NC(=O)c2c(Br)cnn2C)cc(OC)c1O 675848 MKMXUDIOYKTTJX-OMCISZLKSA-N 383.202 1.669 50 50 GDGA O=C(CCl)N[C@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccc1 1875384398 OEYXZJSWYOQDCH-SJORKVTESA-N 386.835 1.981 50 50 GDGA O=C(CCl)N[C@@H]1C[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C12CCC2 1875384744 VYLDTUSFEKMMEM-ZJUUUORDSA-N 376.766 1.891 50 50 GDGA CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2(C(O)=NNC(=O)C(=O)NC2CC2)C1 328586849 YGJAFORYIGAMMI-HXPMCKFVSA-N 394.472 1.680 50 50 GDGA COc1cc(C2=C(C#N)C(=C(C#N)C#N)NC(C)=C2C(N)=O)cc(OC)c1OC 253470718 AZEMZYAGNDPKQA-UHFFFAOYSA-N 391.387 1.653 50 50 GDGA CC1=C(C#N)C(=O)[N+]([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(F)cc1 340862200 FYMXUGIZNFSVKT-FSEGOYHTSA-N 389.408 1.356 50 50 GDGA Cc1cc(C)nc(NNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)n1 369770446 QABSQWXVJWMOQQ-ZACQAIPSSA-N 380.452 1.877 50 50 GDGA O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NNC(=O)c1ccncc1 1208284 MGQMFGWOCMVDDX-UVTDQMKNSA-N 382.401 1.579 50 50 GDGA COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccc(O)c2)CC1 2864826 VLLCNLYJLFSNQO-KGENOOAVSA-N 382.420 1.200 50 50 GDGA COc1nn([C@H](C)C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1[N+](=O)[O-] 13331861 XOQCHHIZTZZBPS-MVKGSDOGSA-N 395.759 1.893 50 50 GDGA Cc1nn(C)c(C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)c1Br 2856850 RLDJTVFYBIDQDL-UHFFFAOYSA-N 397.189 1.866 50 50 GDGA O=C(Nc1ccc(Br)cc1[N+](=O)[O-])c1cc(F)cc(B(O)O)c1 169744374 DJEGVBOAQQGAFC-UHFFFAOYSA-N 382.938 1.429 50 50 GDGA Cn1cc(C(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)ncc1=O 1875384453 PTSOIDSITRSCNC-MRXNPFEDSA-N 398.850 1.760 50 50 GDGA CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 12730092 WKDDBZZRMADIHU-ZSOIEALJSA-N 383.385 1.474 50 50 GDGA O=C(CCl)N[C@@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccccc1 1875384391 OEYXZJSWYOQDCH-DLBZAZTESA-N 386.835 1.981 50 50 GDGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CNC(=O)c1ccc(F)cc1 2552813 HKEMXWDFSOZQGP-LSHDLFTRSA-N 389.383 1.732 50 50 GDGA CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=S)N[C@@H](C)c2ccccc2)C1 13322428 FRXRBAZLZGZPLI-DZGCQCFKSA-N 398.554 1.305 50 50 GDGA CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)CCl 79016565 VCADUZGDEHVWCF-UHFFFAOYSA-N 397.896 1.140 50 50 GDGA in-vitro O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1n[nH]cc1I 725590 BBUQWJYSZGDRRY-WLRTZDKTSA-N 385.121 1.686 50 50 GDGA Cn1nccc1/C=N/NC(=O)c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1 1005645 RMQVCMNXIDFISK-GIJQJNRQSA-N 387.787 1.990 50 50 GDGA C[C@@H](NC(=O)CCl)[C@H]1CN(C(=O)Cc2ccc3c(c2)CCCO3)CCO1 1875384043 KENNOYBFUJMIKN-CXAGYDPISA-N 380.872 1.525 50 50 GDGA O=Cc1c(OCc2cc([N+](=O)[O-])ccc2Br)cccc1B(O)O 2325826316 YDBIEAOTIZTGET-UHFFFAOYSA-N 379.959 1.429 50 50 GDGA Cn1cc(I)c(C(=O)NNC(=O)NC2CCCCC2)n1 2853189 RTFLJXYGKSIYNI-UHFFFAOYSA-N 391.213 1.301 50 50 GDGA CCOC(=O)NNC(=O)[C@@H]1CCCN1CC(=O)N1c2ccccc2CC[C@H]1C 252538928 NJKVOSBUZZAGPQ-PBHICJAKSA-N 388.468 1.596 50 50 GDGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CNC(=O)c1ccccc1C 2552985 WHEAEHXAQYUESB-SSDVNMTOSA-N 385.420 1.901 50 50 GDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1OC 2565262 XPBNEVXKWSNIFN-ZVBGSRNCSA-N 385.376 1.313 50 50 GDGA O=C(CCl)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1sccc1F 1875384857 XSHIKSFSWAAWJL-LLVKDONJSA-N 389.880 1.743 50 50 GDGA COC(=O)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 20057889 RGLLZTKUTNWJGV-HZHRSRAPSA-N 394.475 1.741 50 50 GDGA NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)o1 854227 ZTENCQQSDPEPFC-WEVVVXLNSA-N 394.181 1.532 50 50 GDGA Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1230793 SEIYWGDSRZTEBG-LLVKDONJSA-N 389.209 1.065 50 50 GDGA C[C@@H](C(=O)N1CCCC[C@H]1CCNC(=O)CCl)n1nnnc1C(C)(C)C 1875384753 WIBUKKCXXIJJBD-STQMWFEESA-N 384.912 1.658 50 50 GDGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 1875371611 GYEHDPGNGDDNES-ZDUSSCGKSA-N 375.856 1.944 50 50 GDGA O=C(CCl)NC[C@@H](NC(=O)c1cccc2c1C(=O)NC2)C1CCCCC1 1875384032 JPZUEGOWEVMZEV-OAHLLOKOSA-N 377.872 1.964 50 50 GDGA C=CCNC(=S)NNC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1 8301437 ZKFMLOKOANJASA-UHFFFAOYSA-N 390.416 1.951 50 50 GDGA COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1ccc(OC)cc1OC)C(F)(F)F 2769869 MGKCCVQATREFDB-GXFFZTMASA-N 385.722 1.716 50 50 GDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(C(=O)O)cc1 22931263 ATFLCMQJPPPAIM-HYARGMPZSA-N 380.448 1.653 50 50 GDGA COC(=O)N(C)NC(=O)Nc1ccc(C)c(NC(=O)NN(C)C(=O)OC)c1 242346903 ZKBSVSVJROQFKU-UHFFFAOYSA-N 382.377 1.464 50 50 GDGA O=C(O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 2530406 MWCHVHSNNRRGEN-DJKKODMXSA-N 375.768 1.892 50 50 GDGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(OC)c1OC 2290231 KJUFUGNAIWSAQZ-KEBDBYFISA-N 375.356 1.940 50 50 GDGA COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1OC 19833696 ADTIYFNFCNVIJB-HZHRSRAPSA-N 396.491 1.972 50 50 GDGA C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](O)[C@@](O)(CCl)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]12 1848443670 ONMAQPPVCANFPB-JGZAYICWSA-N 382.840 1.499 50 50 GDGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O 169748299 QPARFARLOLAARR-SDBHATRESA-N 381.509 1.050 50 50 GDGA COc1cc(/C=N/NC(=O)CNC(=O)/C=C/c2ccccc2OC)ccc1O 4964404 OMLVNZGEJCUVJK-NJLYGQMHSA-N 383.404 1.689 50 50 GDGA CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cccc(O)c1 2082929040 ONWSPBLCQNZONI-CYBMUJFWSA-N 387.417 1.084 50 50 GDGA O=C(CCl)NC[C@H](NC(=O)[C@H]1COCCO1)c1ccc2ccccc2c1 1875383951 HQSMSUSJAHVILW-DLBZAZTESA-N 376.840 1.768 50 50 GDGA COc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 1236207 SSFLHBSEIPCQIW-UHFFFAOYSA-N 375.337 1.452 50 50 GDGA COc1ccc(C)cc1NC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1 2851670 NQNYKRCVAKVKKG-UHFFFAOYSA-N 392.437 1.977 50 50 GDGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 1875371610 GYEHDPGNGDDNES-CYBMUJFWSA-N 375.856 1.944 50 50 GDGA C=CC(=O)N(C)c1ccc(C(=O)NNC(=O)c2nn(C)c3ccccc23)cc1 1875373454 BJXWKAYBFFDIMZ-UHFFFAOYSA-N 377.404 1.797 50 50 GDGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(O)cc2O)sc2c1CCCC2 4210418 RGYDJNFALZXSRG-AWQFTUOYSA-N 384.417 1.999 50 50 GDGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cc(F)ccc2Br)C1 2325889203 FMFDHPSVMBFHSM-JTQLQIEISA-N 398.232 1.774 50 50 GDGA Cc1[nH]nc2c1[C@H](c1cc(CSc3nnnn3C)cs1)C(C#N)=C(N)O2 12444779 XWPQYACWYOAVNQ-LBPRGKRZSA-N 386.466 1.814 50 50 GDGA CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccccc1C 2082946038 ZKBHRXMZNGUYPH-AWEZNQCLSA-N 385.445 1.687 50 50 GDGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 4189115 YDOSQZVCTNXPJZ-GOSISDBHSA-N 382.332 1.512 50 50 GDGA O=C(Cn1ccc(C(F)(F)F)n1)N[C@H]1C[C@@H](NC(=O)CCl)C12CCC2 1875384020 JLMWKXGKIKUTCK-MNOVXSKESA-N 378.782 1.684 50 50 GDGA Cc1n[nH]c2c1[C@@H](c1ccc(OC(=O)N3CCOCC3)cc1)C(C#N)=C(N)O2 1177013 NDXZJHUYXGVFRE-INIZCTEOSA-N 381.392 1.767 50 50 GDGA COc1ccc(C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2)cc1 5068607 OLIYTSSBPKOYSV-UHFFFAOYSA-N 392.481 1.027 50 50 GDGA COc1cccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O 22936621 JNWFXEZBCVEKRX-HMAPJEAMSA-N 382.464 1.669 50 50 GDGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(O)cc1O 43190572 AAAAKWWLSGEURG-UFWORHAWSA-N 392.209 1.740 50 50 GDGA CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(B(O)O)c2)CC1 169934840 VCAMDOSUSYAJLG-UHFFFAOYSA-N 385.067 1.186 50 50 GDGA COc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc(OC)c1O 20469928 GECYCAPXJDJIMY-OOPCHKLYSA-N 383.404 1.389 50 50 GDGA CNC(=S)NNC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 13545348 FGIJHTDWTRYFEI-UHFFFAOYSA-N 384.383 1.654 50 50 GDGA CCOc1ccc(CC(=O)NNC(=S)NC[C@@H]2CCCO2)cc1OCC 5041964 ZGIHGGVAXWOVML-AWEZNQCLSA-N 381.498 1.701 50 50 GDGA Cn1nc(C(=O)NNC(=O)c2cc(O)c3sccc3c2)c2ccccc2c1=O 225519192 JHDSHLOAAMZUDS-UHFFFAOYSA-N 394.412 1.929 50 50 GDGA COc1cc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc2sc(=O)oc12 22078904 WBJGPLQMCMPZJZ-YAXRCOADSA-N 391.365 1.427 50 50 GDGA C=CC(=O)N1CCC(C(=O)NNC(=O)Nc2cc(OC)ccc2Cl)CC1 1875363316 RXMLVCQNWAVNLW-UHFFFAOYSA-N 380.832 1.926 50 50 GDGA O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccccc1 239235772 WRJMXBUVYUAIHB-ORIIPUBOSA-N 379.206 1.984 50 50 GDGA COc1ccc(OCC(=O)N/N=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)cc1 7058569 YODUVXDKISTCTP-LVZFUZTISA-N 384.348 1.479 50 50 GDGA CCNC(=S)NNC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1 5672398 PMODQEVPBHWMBZ-UHFFFAOYSA-N 378.405 1.785 50 50 GDGA Cc1[nH]nc2c1[C@@]1(C(=O)N(C)c3ccc(Br)cc31)C(C#N)=C(N)O2 4167783 IZVINKGECZKTQE-INIZCTEOSA-N 386.209 1.829 50 50 GDGA COc1ccccc1OCC(=O)N/N=C1\C(=O)N(C)c2ccc([N+](=O)[O-])cc21 4186865 TZTGRLBYYYZKFC-JZJYNLBNSA-N 384.348 1.479 50 50 GDGA O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@@H]1O 103188974 PVJGDYDNVNCGBT-BVAJHTEHSA-N 379.848 1.285 50 50 GDGA in-vitro Cc1cc2ccccc2nc1NNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 272009293 ZLZWAXFMXQEQOC-PAZMTAOXSA-N 394.431 1.537 50 50 GDGA C[C@H](Br)C(=O)OCCCNC1=NS(=O)(=O)c2ccccc21 6175341 YHOQLIPZGXDHJO-VIFPVBQESA-N 375.244 1.442 50 50 GDGA COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 17079069 HNPBOODVPHFLHD-UKTHLTGXSA-N 387.417 1.897 50 50 GDGA O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC[C@@H]1CCCO1 5063012 UNOVQQKNGISIGF-NSHDSACASA-N 384.889 1.733 50 50 GDGA CCN1C(=O)[C@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c2ccccc21 4728108 UPWPVSNQBFXQIB-NRFANRHFSA-N 377.448 1.784 50 50 GDGA C[C@H](C(=O)N1CCCC[C@H]1CCNC(=O)CCl)n1nnnc1C(C)(C)C 1875384751 WIBUKKCXXIJJBD-OLZOCXBDSA-N 384.912 1.658 50 50 GDGA Cc1cc2ccccc2nc1NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 272009289 ZLZWAXFMXQEQOC-IYYOBANKSA-N 394.431 1.537 50 50 GDGA O=C(CCl)NC[C@@H](NC(=O)[C@@H]1COCCO1)c1ccc2ccccc2c1 1875383954 HQSMSUSJAHVILW-SJORKVTESA-N 376.840 1.768 50 50 GDGA CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 5472721 PAVIXGSSTTWAMT-JZJYNLBNSA-N 396.359 1.639 50 50 GDGA COC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1OC 9089573 CZXSSZSUXAZXNW-KBPBESRZSA-N 375.406 1.492 50 50 GDGA CCn1ncc(NC(=S)NNC(=O)Cn2nc(C(F)(F)F)cc2C)c1C 2802224 YPOQOQNMRDQBME-UHFFFAOYSA-N 389.407 1.753 50 50 GDGA CCN(CC)C(=O)NCC(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1 2172533 WXPRCBJWRMOKAL-UHFFFAOYSA-N 375.351 1.910 50 50 GDGA O=C(N/N=C/c1cccs1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 4210347 GVHZXSUDHLPZGE-XDHOZWIPSA-N 386.433 1.309 50 50 GDGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2c(C)[nH]c3ccccc23)C1 13320805 XYTWAGKEQBNJIR-YRIIZNAFSA-N 376.482 1.988 50 50 GDGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1O 3032105 OAZUHLVCWHNTTD-UFWORHAWSA-N 376.756 1.834 50 50 GDGA CCOc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc([N+](=O)[O-])c1O 36145011 XWRQZMXBEYNTBT-ARFNDINWSA-N 387.348 1.989 50 50 GDGA CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1O 36178005 NKSSCNLKNULGMF-LEKRSAHOSA-N 387.348 1.989 50 50 GDGA COC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1OC 9089574 CZXSSZSUXAZXNW-KGLIPLIRSA-N 375.406 1.492 50 50 GDGA O=C(CCl)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cncc(-n2cccn2)n1 1875383119 HIUNJRMNPRSNKB-RDTXWAMCSA-N 396.838 1.413 50 50 GDGA COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O1 808912 VXKAMWFJGDAYGZ-MRXNPFEDSA-N 388.376 1.502 50 50 GDGA O=C(O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 100879012 FHBPPJNBSKRQRH-IHKZXZNISA-N 395.047 1.239 50 50 GDGA COc1ccc(OC)c([C@@]2(SCCO)OC(N)=C(C#N)C2=C(C#N)C#N)c1 253471112 LVUBBMMVDMUWAC-SFHVURJKSA-N 384.417 1.650 50 50 GDGA C=CC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)cn2C)cc1 1463805946 NWUHVDARWYYBHA-UHFFFAOYSA-N 391.225 1.987 50 50 GDGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 3115446 NIRZGARIQVSTCR-UFWORHAWSA-N 376.756 1.834 50 50 GDGA CCn1cc(C(=O)NNC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)cn1 2785485 FZODPQHVKUNBKY-SECBINFHSA-N 397.277 1.576 50 50 GDGA O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1[nH]ncc1I 32609430 FZRIJVQLBGZSHF-ACAGNQJTSA-N 385.121 1.686 50 50 GDGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)o1 4210780 UKTPTCUWKCTOAL-UDWIEESQSA-N 384.392 1.149 50 50 GDGA Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCCO[C@H](CNC(=O)CCl)C1)C2 1875384034 JTRXCCUMFJHLHW-NVXWUHKLSA-N 380.872 1.579 50 50 GDGA C[C@H](NC(=S)NNC(=O)Cn1ncc2ccccc2c1=O)c1ccccc1 2872135 RSZBUWNPPLJBRX-ZDUSSCGKSA-N 381.461 1.653 50 50 GDGA COc1cc(C(=O)NC(=S)NNC(=O)c2ccco2)cc(OC)c1OC 2249674 GOMIOYLJWKLERJ-UHFFFAOYSA-N 379.394 1.255 50 50 GDGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 4189117 YDOSQZVCTNXPJZ-SFHVURJKSA-N 382.332 1.512 50 50 GDGA O=C(CCl)N[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(F)cc2)C12CCC2 1875384456 PXSVJWPGTMPPNF-KGLIPLIRSA-N 381.835 1.224 50 50 GDGA CN1C(=O)/C(=N\NC(N)=O)c2cc(Br)cc(Br)c21 5648762 OWOUGUAJBFHWSN-AUWJEWJLSA-N 376.008 1.560 50 50 GDGA COCCCNC(=O)/C(C#N)=C/c1c(Br)n[nH]c1Br 821033158 YZFJIVWXQDQLCZ-FNORWQNLSA-N 392.051 1.994 50 50 GDGA COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(C(C)C)c32)c2ccccc21 718406 VXECYIALLNBGEE-FQEVSTJZSA-N 393.403 1.425 50 50 GDGA COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1OC 5514318 AYKHKQAMGCVIIG-WSDLNYQXSA-N 399.403 1.211 50 50 GDGA Cn1nccc1C(F)(F)C(=O)N[C@@H](CNC(=O)CCl)C1CCCCC1 1875384894 YDUMBTCVBGQJJL-LBPRGKRZSA-N 376.835 1.932 50 50 GDGA C[C@H](NC(=O)c1ccc(B(O)O)c(C=O)c1)c1ccc(Br)cc1F 2325873371 FLEBKVIYAQZHHJ-VIFPVBQESA-N 394.005 1.572 50 50 GDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 2532018 MEAQMXGTRFWOLE-UFFVCSGVSA-N 385.376 1.039 50 50 GDGA CCOC(=O)C1=NO[C@H](C(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)C1 1382815 JAXKNEPBYSBXDC-JTQLQIEISA-N 394.737 1.929 50 50 GDGA COc1cccc(N2C(=O)C[C@H](NNC(=O)c3cn(C)c4ccccc34)C2=O)c1 2781950 JQNVLMZMYJNMMD-KRWDZBQOSA-N 392.415 1.753 50 50 GDGA COCC[S@@](=O)Cc1cccc(NC(=O)NNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1 844539133 IZLHQXQMJGYARU-ATSAFHSQSA-N 395.481 1.302 50 50 GDGA O=C(CCl)N[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(F)cc2)C12CCC2 1875384455 PXSVJWPGTMPPNF-KBPBESRZSA-N 381.835 1.224 50 50 GDGA CC[C@@H](C(=O)NNC(=S)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 2853438 MGJUWZTUHMDZFD-OAHLLOKOSA-N 392.506 1.845 50 50 GDGA C[C@]1(C(=O)NNC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1(Cl)Cl 2855506 YYYMJCVLLUKEJP-LLVKDONJSA-N 397.309 1.236 50 50 GDGA C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21 1421797 FIVKGFVYWJXORG-HXUWFJFHSA-N 377.356 1.037 50 50 GDGA COC(=O)[C@H](Oc1cccc(B(O)O)c1C=O)c1ccc(Cl)cc1Cl 2325825879 GHIBXBSEYPBZBA-OAHLLOKOSA-N 382.992 1.779 50 50 GDGA CC(C)[C@H](Br)CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 4576988 PHPQHWWVMVMKTD-KGLIPLIRSA-N 399.285 1.724 50 50 GDGA O=C(CCl)NC[C@H]1CN(C(=O)[C@@]2(c3ccccc3)CCCO2)CCCO1 1875384966 ZQIGUCKMZBFTJX-LPHOPBHVSA-N 380.872 1.665 50 50 GDGA Cc1ccccc1OCC(=O)N/N=C\C=N\NC(=O)COc1ccccc1C 16663356 XYEVULHLHMTPEP-ZCJKAFFOSA-N 382.420 1.965 50 50 GDGA Cc1cc(C)cc(OCC(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1800479 JJEFQUBZHVGRNS-UHFFFAOYSA-N 395.415 1.516 50 50 GDGA C[C@H](NC(=O)CCl)[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCO3)CCO1 1875384046 KENNOYBFUJMIKN-GUYCJALGSA-N 380.872 1.525 50 50 GDGA C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)NNC(=O)c1cnn[nH]1 732763883 LTBKHBPSCSXPRR-SNPRPXQTSA-N 396.451 1.350 50 50 GDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)c(OC)c1OC 2544160 DJWCDOYZFWSAOZ-SSDVNMTOSA-N 385.420 1.901 50 50 GDGA CC(C)[C@@H](Br)CC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)O 4576997 PHPQHWWVMVMKTD-UONOGXRCSA-N 399.285 1.724 50 50 GDGA O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccccc1Br 222188382 FCFCHLRSWAYDDY-WTTBSCSTSA-N 379.210 1.733 50 50 GDGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cc([N+](=O)[O-])ccc1O 3034089 VMAIEQVJFJQPNN-UFWORHAWSA-N 376.756 1.834 50 50 GDGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCCO3)cc1 2894325 MVEIJBMIAFNBJV-WSDLNYQXSA-N 382.420 1.404 50 50 GDGA O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 4209768 QQIUVCNIKIHJKO-LPYMAVHISA-N 398.394 1.387 50 50 GDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1cc(Br)ccc12 994174 QSDQCLABIZGMEI-INIZCTEOSA-N 390.193 1.810 50 50 GDGA CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ncccc2C(F)(F)F)c1 770645222 OBXNOFJCTQSUDR-UHFFFAOYSA-N 387.339 1.579 50 50 GDGA O=C(NCc1ccccc1N1CCOCC1)NN=c1cc[nH]c2cccnc12 887993617 HDVOAOATKJGDHM-UHFFFAOYSA-N 378.436 1.715 50 50 GDGA CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(=O)nc(N)[nH]c32)C[C@@H]1O 195851740 SEYILVDPIQPEAP-HBNTYKKESA-N 381.509 1.372 50 50 GDGA CC(C)OCCCNC(=O)/C(C#N)=C/c1cccc(S(=O)(=O)N(C)C)c1 1875380674 VTNMAWMBSWLMGP-LFIBNONCSA-N 379.482 1.775 50 50 GDGA O=C(CCc1ccc(O)c(O)c1)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 5063112 UBEIIJZZDQAFOH-UHFFFAOYSA-N 376.394 1.956 50 50 GDGA CC1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccco3)c2)CC1 2850499 MMTALRHQEGSOLZ-UHFFFAOYSA-N 391.449 1.775 50 50 GDGA C/C(Cn1nnc([N+](=O)[O-])n1)=N/NC(=O)COc1ccc(Cl)cc1Cl 22023139 QYMCQJMLAFTHQN-CHHVJCJISA-N 388.171 1.459 50 50 GDGA O=C(CCl)N[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(F)cc2)C12CCC2 1875384458 PXSVJWPGTMPPNF-ZIAGYGMSSA-N 381.835 1.224 50 50 GDGA Cc1cc(OCC(=O)NNC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)cc(C)c1Cl 138896512 UULQGIJJFWZALO-QHSBEEBCSA-N 396.827 1.361 50 50 GDGA C/C(N)=C(\C#N)C(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 253397301 PCCYXMDXUKAHGC-OMCKHJGLSA-N 387.436 1.221 50 50 GDGA COCC[S@](=O)Cc1cccc(NC(=O)NNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1 844539137 IZLHQXQMJGYARU-YHVIJMSQSA-N 395.481 1.302 50 50 GDGA C=CC(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC1 1875363392 ICNRCYYAGDLIES-UHFFFAOYSA-N 381.436 1.571 50 50 GDGA O=C(CCl)NC[C@H](NC(=O)c1cccc2c1C(=O)NC2)C1CCCCC1 1875384031 JPZUEGOWEVMZEV-HNNXBMFYSA-N 377.872 1.964 50 50 GDGA COc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1O 32614409 WRGLSYGBOPUCJA-AJMMCGSGSA-N 398.375 1.289 50 50 GDGA O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccn1 100905216 VQALDGHPNMEVPF-CYBMUJFWSA-N 389.209 1.411 50 50 GDGA O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccn1 857165 VQALDGHPNMEVPF-ZDUSSCGKSA-N 389.209 1.411 50 50 GDGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)Nc2cc(OC)ccc2Cl)C1 1875371906 PIRVBGRDQBRGAD-NSHDSACASA-N 380.832 1.926 50 50 GDGA COC(=O)c1cc(NC(=O)CI)cc(C(=O)OC)c1 2532634 XBNDQXGFIFCJOV-UHFFFAOYSA-N 377.134 1.633 50 50 GDGA CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3ccccc3F)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 252426804 LKYBEVBENAHVPX-RDWHLOIESA-N 394.399 1.672 50 50 GDGA CCOc1ccc(CC(=O)NNC(=S)NC[C@H]2CCCO2)cc1OCC 5041965 ZGIHGGVAXWOVML-CQSZACIVSA-N 381.498 1.701 50 50 GDGA CC1=C(C#N)C(=O)[N+]([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(F)cc1 340862199 FYMXUGIZNFSVKT-CIKBWMHTSA-N 389.408 1.356 50 50 GDGA O=C(CCl)NC[C@H](NC(=O)[C@@H]1COCCO1)c1ccc2ccccc2c1 1875383953 HQSMSUSJAHVILW-IRXDYDNUSA-N 376.840 1.768 50 50 GDGA COC(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccccc1-n1cccc1 1394369 LNYMDJXKMAYTMZ-UHFFFAOYSA-N 399.428 1.887 50 50 GDGA COC(=O)c1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 1211146 PMCUUYZSYNFQDO-LTNVFZTJSA-N 395.415 1.985 50 50 GDGA C=CCN1C(=O)/C(=N\NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21 1920684 RTZXMXVUOLYQKY-PGMHBOJBSA-N 393.359 1.586 50 50 GDGA COCc1c(C(=O)NNC(=O)N2CCN(C)CC2)sc2cccc(F)c12 225700571 JNTIYIAHKXHXTG-UHFFFAOYSA-N 380.445 1.789 50 50 GDGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1ccc(OC)cc1OC)C(F)(F)F 2769870 MGKCCVQATREFDB-ZWNOBZJWSA-N 385.722 1.716 50 50 GDGA NC(=O)NNc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1 225745992 PIZQGVZRQMHCML-UHFFFAOYSA-N 381.483 1.980 50 50 GDGA COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O1 808911 VXKAMWFJGDAYGZ-INIZCTEOSA-N 388.376 1.502 50 50 GDGA COc1cc(NC(C)=O)c(CNC(=O)CCl)cc1CNC(=O)CCl 100233991 QOFJMTHTLJRYLQ-UHFFFAOYSA-N 376.240 1.364 50 50 GDGA COc1ccccc1NCc1nnc(SCC(=O)NN)n1-c1ccccc1 66324357 LHGBHUMMKZSSAP-UHFFFAOYSA-N 384.465 1.970 50 50 GDGA COc1ccc(N([C@H](C)C(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1 2907321 XWIYASPHJDBHFT-KZKLBEMASA-N 376.438 1.395 50 50 GDGA CC(=O)N1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)c2ccccc21 718502 WJEFVKFJUWXLOJ-OAQYLSRUSA-N 398.382 1.737 50 50 GDGA COc1ccc(OC)c([C@]2(SCCO)OC(N)=C(C#N)C2=C(C#N)C#N)c1 253471109 LVUBBMMVDMUWAC-GOSISDBHSA-N 384.417 1.650 50 50 GDGA O=C(Cc1ccccc1)NCC(=O)N[C@H]1C[C@H](NC(=O)CCl)C12CCC2 1875384419 ORZQNIVYKCRVFL-GJZGRUSLSA-N 377.872 1.128 50 50 GDGA CCc1ccc(C(=O)NNC(=S)Nc2ccc(S(N)(=O)=O)cc2)s1 13544886 VDQDRUBDXFZTST-UHFFFAOYSA-N 384.508 1.589 50 50 GDGA CC[C@@H](Br)C(=O)OCCCNC1=NS(=O)(=O)c2ccccc21 6168392 QOVFAECROAOLRK-LLVKDONJSA-N 389.271 1.832 50 50 GDGA Cc1nnc(SCC(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)s1 25760876 FUEIVLWBGTXDHQ-UHFFFAOYSA-N 378.395 1.319 50 50 GDGA COc1ccc(S(=O)(=O)NC2CCOCC2)cc1NC(=O)[C@@H](C)Cl 1875364517 NNBNPVWNHUHGOS-SNVBAGLBSA-N 376.862 1.718 50 50 GDGA COc1ccc(/C=C/C(=O)N[C@@H](C(=O)OCC(=O)/C(C#N)=C(/C)N)C(C)C)cc1 229469880 ACJUEYDZYUZRNF-OZZGTVEDSA-N 399.447 1.718 50 50 GDGA O=C(CCl)N[C@@H](CNC(=O)C1(n2cnnn2)CCCCC1)c1ccccc1 1875383889 GGWVBEMLISXVPL-HNNXBMFYSA-N 390.875 1.545 50 50 GDGA COc1cccc(/C=N/NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)c1 2909860 KRZMNMOLXOQQMS-OEAKJJBVSA-N 399.447 1.912 50 50 GDGA CCOC(=O)CNC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2571043 MHEOMZMBNJZPDW-MRVPVSSYSA-N 378.212 1.654 50 50 GDGA Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)cc(C#N)n1C 222284267 KGCPLRQDZMNNHZ-GAVDFCLNSA-N 377.379 1.783 50 50 GDGA O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 130433765 ZSXMVAKIQQTPEA-FGTMMUONSA-N 389.419 1.335 50 50 GDGA C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)C(O)(c1ccccc1)c1ccccc1 5479961 QUADTMUXOVNHCB-KGENOOAVSA-N 394.391 1.615 50 50 GDGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc(OC)c1OC 2544129 ZPCJHSZGZAEYMA-SSDVNMTOSA-N 385.420 1.901 50 50 GDGA COc1cccc(NC(=O)NNS(=O)(=O)c2ccc(OC)cc2OC)c1 8167934 BLSONMKIUPGRNR-UHFFFAOYSA-N 381.410 1.727 50 50 GDGA O=C(N/N=C/c1c(N2CCOCC2)nc2ccccn2c1=O)c1ccccc1O 1504331 RCHFEOPVRNUUQJ-FYJGNVAPSA-N 393.403 1.001 50 50 GDGA Cc1ccc(C(=O)NCC(=O)N[C@H]2CCCC[C@H]2CNC(=O)CCl)s1 1875383612 APKNUAGBGGLSSG-STQMWFEESA-N 385.917 1.816 50 50 GDGA COc1cccc(-n2cc(C(=O)NCCSSCCC(=O)O)nn2)c1 1875388672 LNIBAFFIRQFSPW-UHFFFAOYSA-N 382.467 1.862 50 50 GDGA C[C@@H]1CCCN(C(=O)Cn2nnc3c2CCCC3)[C@H]1CCNC(=O)CCl 1875384936 YVHFCAVFQFGXNC-HIFRSBDPSA-N 381.908 1.529 50 50 GDGA Cc1c(C(=O)NN)c(=O)oc2c(Br)c(O)c(Br)cc12 1775938172 WCQKZGUAXKMQIT-UHFFFAOYSA-N 392.003 1.936 50 50 GDGA COc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(N)=O 662965 CNIRRJXEUQSYQV-AWQFTUOYSA-N 386.364 1.540 50 50 GDGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CNC(=O)c1ccc(C)cc1 2544043 NOESBVKRQVDXEB-SSDVNMTOSA-N 385.420 1.901 50 50 GDGA Cc1[nH]nc2c1[C@@H](c1cc(CSc3nnnn3C)cs1)C(C#N)=C(N)O2 12444776 XWPQYACWYOAVNQ-GFCCVEGCSA-N 386.466 1.814 50 50 GDGA C[C@@H](NC(=S)NNC(=O)Cn1ncc2ccccc2c1=O)c1ccccc1 2872136 RSZBUWNPPLJBRX-CYBMUJFWSA-N 381.461 1.653 50 50 GDGA Cc1sc([C@@H]2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)cc1Br 5536764 SEFLMUSSIFSTTC-QMMMGPOBSA-N 381.211 1.414 50 50 GDGA O=C(N/N=C/c1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 4209684 IOFGBYAJSMIOHA-KGENOOAVSA-N 380.404 1.248 50 50 GDGA C[C@@H](Br)C(=O)OCCCNC1=NS(=O)(=O)c2ccccc21 6176128 YHOQLIPZGXDHJO-SECBINFHSA-N 375.244 1.442 50 50 GDGA