smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(N2CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)cc1 2088707 KXNWZNFQSFOVTP-OAHLLOKOSA-N 343.254 2.928 10 50 EFCA Cc1ccccc1N/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 2990171 PKHOTXFDWFMUGO-PTNGSMBKSA-N 335.363 2.569 10 50 EFCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccs3)C2=O)cc1 4845868 QOJBZOZTWNXHKY-UVTDQMKNSA-N 326.377 2.977 10 50 EFCA COc1cccc(CNC(=O)NCc2cccc(C(C)=O)c2)c1O 1674076406 XYLJNJSEUCRSJS-UHFFFAOYSA-N 328.368 2.603 10 50 EFCA CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1 2303521 AYUXOHIOPIWDOF-FMIVXFBMSA-N 337.422 2.761 10 50 EFCA Cc1cc(C(=O)OC[C@H]2CCCN2C(N)=O)c(C)n1-c1ccccc1 170645786 PGGISUVOMLFXGG-MRXNPFEDSA-N 341.411 2.794 10 50 EFCA CN(C)c1ccc(CN[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)cc1 1875274004 VAINCRHONLZRIQ-DLBZAZTESA-N 349.475 2.524 10 50 EFCA COC1(OC)CC2(CN(C(=O)c3cc(O)cs3)[C@@H]2C(C)C)C1 898354865 OFEALMKIXZOJNH-CYBMUJFWSA-N 325.430 2.703 10 50 EFCA Oc1ccccc1CN1CCc2nnc(CCc3ccccc3)n2CC1 11974229 WOBRPGFQIILEQA-UHFFFAOYSA-N 348.450 2.827 10 50 EFCA O=C(NN1C(=O)/C(=C/c2ccco2)SC1=S)c1ccccc1 1214317 YPTDOAKXDBVJJN-XFXZXTDPSA-N 330.390 2.826 10 50 EFCA CCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)C[C@H]2C)[nH]1 218399269 QXSGQCPIZNOXJO-CQSZACIVSA-N 327.428 2.937 10 50 EFCA COC(=O)c1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cc1 55291994 BDVAFQLWUCVHJU-UHFFFAOYSA-N 340.423 2.804 10 50 EFCA CCN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(O)=NC1=S 86047 LQMOGSZBRIMXNJ-PAQHSLSSSA-N 331.353 2.638 10 50 EFCA COc1ccccc1N1C(=O)NC(=O)/C(=C\C=C\c2ccccc2)C1=O 492958 QPXDYLZDZWFMHL-UNRYZTPYSA-N 348.358 2.918 10 50 EFCA OCC[C@H]1CN(Cc2ccccc2O)CCN1Cc1ccc(F)cc1 23144494 VKYHILAJTLJRTQ-IBGZPJMESA-N 344.430 2.600 10 50 EFCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 312754 WNFGXZLPAGTBMF-ZROIWOOFSA-N 344.367 2.923 10 50 EFCA COc1ccc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)cc1 96139968 DNDYWDJJPNCYBN-UHFFFAOYSA-N 347.422 2.874 10 50 EFCA CCOc1cccc(/C=C2\SC(=S)N(CCOC)C2=O)c1O 13897653 VZMOVDBFPHVEQI-XFXZXTDPSA-N 339.438 2.639 10 50 EFCA COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 453567 URQKCKQDZPBOMW-BENRWUELSA-N 340.310 2.501 10 50 EFCA CC(C)Oc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1 456327 PEQJUXOWJUJLIZ-RVDMUPIBSA-N 332.425 2.776 10 50 EFCA COc1cccc(O)c1CN1CCN(C2CCCCC2)[C@H](CCO)C1 22852919 VIQNCOFUJLZDGR-QGZVFWFLSA-N 348.487 2.602 10 50 EFCA CN(C)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 202404 VGBYXLKFDMIFTI-GZTJUZNOSA-N 339.370 2.985 10 50 EFCA CN1CCc2cc(CN[C@@H](c3nccn3C)C3CCOCC3)ccc21 886072099 QBBOSIBDXXTLNZ-LJQANCHMSA-N 340.471 2.670 10 50 EFCA Cc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)o1 1803630 YAQFUYCVNCGFPK-CDCCAWJDSA-N 325.411 2.898 10 50 EFCA COc1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1O 187779 LRKSOBWINIVCJU-HOCLYGCPSA-N 338.363 2.570 10 50 EFCA COCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 2673062 CYPCCQHTMDCTLA-LCYFTJDESA-N 339.438 2.551 10 50 EFCA COc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 4125197 RHBAXCUDWHSNCZ-UHFFFAOYSA-N 341.367 2.566 10 50 EFCA O=C1/C(=C\NC2CC2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 17918376 XESQSKIPDDFPRV-ATVHPVEESA-N 348.362 2.982 10 50 EFCA Cc1ccc(C)c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 72117227 JGNNHXUANYRWQV-UHFFFAOYSA-N 337.467 2.985 10 50 EFCA C[C@@H](NC(=O)Cc1ccc(N)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 670455481 NZXKIOWGMDQITN-JSMJAWQLSA-N 328.456 2.647 10 50 EFCA C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(N2CCOCC2)=NC1=O 860069 IDLIMCCHAJSSPH-JASJWYONSA-N 342.420 2.696 10 50 EFCA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ccc3c(c2)CCO3)cn1 328631934 KYZLMKGZNIXKQO-APWZRJJASA-N 340.427 2.788 10 50 EFCA Cc1onc(-c2cccnc2)c1C(=O)N1C[C@H](C)Oc2ncccc21 367398769 BDKMRZHIRWERRW-NSHDSACASA-N 336.351 2.868 10 50 EFCA CCN(CCn1cccn1)C1CCN(c2ccc3c(c2)OCO3)CC1 952988555 RVKKHKGNWVMOLJ-UHFFFAOYSA-N 342.443 2.603 10 50 EFCA CC(C)(C)OC(=O)N(CCO)Cc1cc(Br)ccc1O 47218847 YFNZPSVBCBMUEW-UHFFFAOYSA-N 346.221 2.884 10 50 EFCA COc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1 12580655 BLZADJLXDOHXLC-IBGZPJMESA-N 341.456 2.866 10 50 EFCA COc1ccc(OCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 10113470 XWLMPKALOAYJSH-UHFFFAOYSA-N 340.423 2.991 10 50 EFCA COc1ccc(CN2C(=O)N=C(O)/C(=C\c3ccco3)C2=O)cc1 86637 YWBQLJPBFAEUSW-NTEUORMPSA-N 326.308 2.791 10 50 EFCA CCN(CC)c1ccc(CN2CCN(c3ncccn3)CC2)cc1 19633830 MSDAYSOEWLZJMW-UHFFFAOYSA-N 325.460 2.645 10 50 EFCA COc1ccc(N2CCN(C(=O)c3ccc(OC)c(C)c3)CC2)cc1 13945971 KCZKGOMKIGAWIU-UHFFFAOYSA-N 340.423 2.975 10 50 EFCA COCCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 4760445 HDGJDHUCYGYGKT-UKTHLTGXSA-N 339.438 2.639 10 50 EFCA O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc[nH]1 459387 FRHZGIUVBSUZBJ-XYOKQWHBSA-N 349.268 2.700 10 50 EFCA Cc1cc(O)nc(NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1 1775990107 JUJMLXXFGWXZCE-BETUJISGSA-N 346.406 2.855 10 50 EFCA CC(C)[C@@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 6852786 NDXUDJQPVNVPJV-MRXNPFEDSA-N 345.395 2.576 10 50 EFCA biogenic CC(C)[C@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O 44740 NMRFVFDGPIFWRI-INIZCTEOSA-N 341.363 2.851 10 50 EFCA biogenic Cn1ccnc1[C@@H](NCc1ccc2c(c1)CCO2)C1CCOCC1 284415224 DJYXLNVGVBCBED-SFHVURJKSA-N 327.428 2.613 10 50 EFCA C[C@@H](NC(=O)c1c[nH]c2c(F)cccc2c1=O)c1ccccc1O 97492468 XWKADFLSKOJLEZ-SNVBAGLBSA-N 326.327 2.864 10 50 EFCA CC1(C)OC(c2ccccc2)=C/C(=C/C=C2/C(=O)NC(=O)N=C2O)O1 17028130 MKPULMPYJJPLDZ-WQLSENKSSA-N 340.335 2.827 10 50 EFCA CC(C)[C@@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O 4749669 NMRFVFDGPIFWRI-MRXNPFEDSA-N 341.363 2.851 10 50 EFCA biogenic CC(C)C1=NN2C(=N)/C(=C/c3ccc4c(c3)OCO4)C(=O)N=C2S1 5007237 DJSMYIGYDPUCPF-SPHOJFBGSA-N 342.380 2.690 10 50 EFCA O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cn(C2CC2)cn1)CC3 865219060 WSWMROTXXWLEOK-XFFZJAGNSA-N 348.362 2.570 10 50 EFCA COCCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 5905832 BYHPDKLBLKZUTB-MDWZMJQESA-N 337.422 2.653 10 50 EFCA CC(C)(O)CCc1cccc(C(=O)NCc2ccc(O)cc2O)c1 72447208 YOVRCTVUPSCXDH-UHFFFAOYSA-N 329.396 2.731 10 50 EFCA Cc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 100401440 RGGZADXHCAIXDX-WJDWOHSUSA-N 335.363 2.882 10 50 EFCA COc1ccc(CNC[C@@H]2CCCO[C@H]2c2cnn(C)c2)cc1C 886079532 FBXCFBYWPDCGIT-QFBILLFUSA-N 329.444 2.995 10 50 EFCA COc1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1O 187786 LRKSOBWINIVCJU-ZBFHGGJFSA-N 338.363 2.570 10 50 EFCA CN(C)c1nc2ccc(NCc3cc4c(cc3O)OCO4)cc2o1 119921687 SRBVWWQDPADNFF-UHFFFAOYSA-N 327.340 2.940 10 50 EFCA Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(C(=O)O)cc1 303457 DNCFCRYCPNFPQP-UHFFFAOYSA-N 344.436 2.800 10 50 EFCA Cc1cc(C(=O)NCC2(CO)CCOCC2)c(C)n1-c1ccccc1 151524413 XFIYHMPSJYMEML-UHFFFAOYSA-N 342.439 2.613 10 50 EFCA CCCC1=NN2C(=N)/C(=C/c3ccc4c(c3)OCO4)C(=O)N=C2S1 350535 XFYBZHZGNZUATP-JYKJIXMYSA-N 342.380 2.835 10 50 EFCA CCc1ccc(OCC(=O)c2ccc(O)c(CN(C)C)c2O)cc1 19867822 IHEGQIIWPSGKLO-UHFFFAOYSA-N 329.396 2.984 10 50 EFCA COc1ccc(N2CCN([C@@H]3CCCN(CC(C)C)C3)CC2)cc1 22913384 SDOZKHHTUJPXNN-LJQANCHMSA-N 331.504 2.938 10 50 EFCA Cc1cc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)c(C)n1-c1ccccc1 828145177 IMDTYAABVWPZLG-SJLPKXTDSA-N 337.423 2.644 10 50 EFCA Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N=C3O)o2)c([N+](=O)[O-])c1 2937238 DCYYZCLKBIXWOW-UHFFFAOYSA-N 341.279 2.753 10 50 EFCA COc1ccc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 3547552 LSUVDZOJTXCMLN-UHFFFAOYSA-N 340.423 2.595 10 50 EFCA Nc1ccc(CC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 237899810 MTDZOYSUZXMRDE-UHFFFAOYSA-N 343.496 2.901 10 50 EFCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N(C)C)ccc12 88653 ZPUAFYKQDRKKSJ-UHFFFAOYSA-N 341.363 2.730 10 50 EFCA biogenic COc1ccc(N2CCN(Cc3ccc(OC)c(O)c3)CC2)cc1 239677 WLZCRMHUOWFBAL-UHFFFAOYSA-N 328.412 2.732 10 50 EFCA COc1ccc(CN2CCN(Cc3cc(OC)ccc3O)CC2)cc1 19555361 YALPSHFUPVOSCF-UHFFFAOYSA-N 342.439 2.727 10 50 EFCA CCN(Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCS(=O)(=O)C1 67920245 XRZYORUVKXHYNL-HNNXBMFYSA-N 325.474 2.699 10 50 EFCA Cc1ccc(C)n1-c1ccc(C(=O)NCCc2nnc(N)s2)cc1 67967497 AUJLIYMFPQBKPL-UHFFFAOYSA-N 341.440 2.500 10 50 EFCA O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccccc1O 15659725 KLMLCRBAIFFURK-XFFZJAGNSA-N 332.718 2.646 10 50 EFCA Cc1c(CN[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)n(C)c2ccccc12 1875400032 PHOPQGKXJNXBOG-WRWLIDTKSA-N 338.455 2.613 10 50 EFCA Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc2nonc12 13330468 CDHZSFBQAHTAHW-UHFFFAOYSA-N 329.381 2.673 10 50 EFCA Cc1cc(/C=C2\C(=O)N=C(O)N(c3cccc(F)c3)C2=O)c(C)n1C 13809879 PNGOFILDYLHBND-OVCLIPMQSA-N 341.342 2.652 10 50 EFCA CN(C)C[C@H]1[C@@H]2CN(C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@H]12 1506420303 BLJUAUZVYMNVSW-DKUWSORSSA-N 339.527 2.884 10 50 EFCA Cc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)s1 440982 DAMQNVUHIAZYIE-ZSOIEALJSA-N 344.367 2.858 10 50 EFCA COc1ccc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 3902528 GULVJNCDTBRYTP-UGDMJCMUSA-N 332.425 2.775 10 50 EFCA CN(C)C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 363187289 KFHKDHGSZBVYGW-LLVKDONJSA-N 331.338 2.683 10 50 EFCA O=C(NCc1ccc(O)cc1O)[C@H]1CCCCN1Cc1ccccc1 910951530 SCGLZJDBHKFPOL-GOSISDBHSA-N 340.423 2.769 10 50 EFCA CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(O)cc2)C1=O 4724613 QGKIUBRRJJTFJK-PTNGSMBKSA-N 336.347 2.621 10 50 EFCA CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 3901019 LWNJBYGFPRLQHH-UHFFFAOYSA-N 343.404 2.539 10 50 EFCA COc1ccc(N2CCN(Cc3cc(C(C)=O)cn3C)[C@@H](C)C2)cc1 670464161 SMVUNVYENNRGHZ-HNNXBMFYSA-N 341.455 2.947 10 50 EFCA COCCCN1C(=O)/C(=C\c2ccc(C)cc2)C(C(=O)OC)=C1C 2849908 SFLMROKYOWHQJR-VBKFSLOCSA-N 329.396 2.704 10 50 EFCA O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(Cl)cc2)C(=O)N1 4050219 CGDZSOGOBRTWAA-UHFFFAOYSA-N 342.738 2.882 10 50 EFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccccc1Cl 100639957 KIIMZUPWJKSRPZ-BENRWUELSA-N 341.754 2.919 10 50 EFCA Nc1ccc(Oc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 312729 SBDXNGGPJMILGR-OAHLLOKOSA-N 338.363 2.836 10 50 EFCA COc1ccc(CN2CCC(c3ccncn3)CC2)c(O)c1OC 894886239 SOAPNRXTHRXPBM-UHFFFAOYSA-N 329.400 2.579 10 50 EFCA COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(C)cc1 13785534 OHMDHFIAFFRJQE-FDIDWWNZSA-N 341.407 2.847 10 50 EFCA O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc[nH]1 1857666692 FRHZGIUVBSUZBJ-UHFFFAOYSA-N 349.268 2.700 10 50 EFCA Cc1c(C(=O)N2CCC3(CC2)COC(=O)O3)n(C)c2ccc(F)cc12 426495846 RKMFPJKKFUQLES-UHFFFAOYSA-N 346.358 2.767 10 50 EFCA CCOc1ccccc1N1C(=O)N=C(O)/C(=C/c2ccc[nH]2)C1=O 17043023 LOTFTNNSSQDDTR-BENRWUELSA-N 325.324 2.920 10 50 EFCA Cc1cc(C)c(O)c(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)NCc2ccco2)c1 102871519 ZXMTYEHEDVFTCX-PIIMJCKOSA-N 340.423 2.596 10 50 EFCA CN(Cc1nccs1)C1CCN(c2ccc3c(c2)OCO3)CC1 952968798 FZDHKWCVHIXPCQ-UHFFFAOYSA-N 331.441 2.973 10 50 EFCA CCCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 4044266 MJPVSLVWULGNSN-MRXNPFEDSA-N 347.484 2.889 10 50 EFCA COc1ccc(N2CCC(N3CCO[C@@H](C(F)(F)F)C3)CC2)cc1 71752013 VINQWZPHCWAEGU-MRXNPFEDSA-N 344.377 2.927 10 50 EFCA COc1ccc(CNCc2noc(C3CC3)n2)cc1CN1CCCC1 952976844 UKJGZMGKVFJDFU-UHFFFAOYSA-N 342.443 2.841 10 50 EFCA COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccccc1 112870 OUIQHYVMHDRYKU-DFSFMLJYSA-N 327.380 2.538 10 50 EFCA COc1ccc(N2CCN(CC(=O)Nc3ccccc3C)CC2)cc1 55562694 SJTHNMWUGKJNCV-UHFFFAOYSA-N 339.439 2.764 10 50 EFCA N#CC1(C#N)[C@]2(C#N)C(=N)O[C@@]13CCCC[C@H]3C[C@@]21CCCCC1=O 136992973 WZHIALLOUWXHNU-UONJOCPKSA-N 336.395 3.000 10 50 EFCA COc1ccc(N2CCC(N3CCC4(CCNCC4)C3)CC2)cc1 67804784 HYKAHNYREIEPNN-UHFFFAOYSA-N 329.488 2.740 10 50 EFCA COc1cccc(O)c1[C@H]1c2nc[nH]c2CCN1CCCSC 67490318 YYVCJFXATWLWMQ-KRWDZBQOSA-N 333.457 2.825 10 50 EFCA COc1ccc(O)c(CN2CCN(Cc3ccccc3OC)CC2)c1 19551591 KRDMFRHLNHQYHI-UHFFFAOYSA-N 342.439 2.727 10 50 EFCA CCN(Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCS(=O)(=O)C1 67920244 XRZYORUVKXHYNL-OAHLLOKOSA-N 325.474 2.699 10 50 EFCA Cc1cc(CN(C)CC2(O)CCOCC2)ccc1N1CCCCC1 408519763 ZSDJNXMGAAQMQR-UHFFFAOYSA-N 332.488 2.959 10 50 EFCA COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(C)s2)C1=O 341300 QALOKZHJOKYOGG-XFXZXTDPSA-N 342.376 2.732 10 50 EFCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(O)c3)C2=O)cc1C 450975 DQYLRXPFWSFMML-MHWRWJLKSA-N 336.347 2.675 10 50 EFCA CN1CCN(c2ccc(CNC(=O)c3ccccc3F)cc2)CC1 49740622 YGPHZOZALLFJLT-UHFFFAOYSA-N 327.403 2.508 10 50 EFCA CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(CC)cc1 14009492 QVUHVDKDTUMGPM-LGMDPLHJSA-N 343.423 2.958 10 50 EFCA CN1CCC[C@H](CNC(=O)c2cccc(O)c2O)[C@@H]1c1cccs1 193089678 BXLSOHHDSPUHFN-MLGOLLRUSA-N 346.452 2.972 10 50 EFCA COc1ccc(N2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 55562695 SHLHITONYLANQB-UHFFFAOYSA-N 343.402 2.595 10 50 EFCA COc1ccc(N2CC[C@H](OC(=O)c3cccc4cncn34)C2)cc1 2325800601 WHONPQIYGOMNLC-KRWDZBQOSA-N 337.379 2.779 10 50 EFCA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2O)NC(=O)N1 196834 YJPDYCCHDVBIGX-KRWDZBQOSA-N 337.379 2.967 10 50 EFCA CC(C)=CCN1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1CCO 20515911 YWPFBKOHXDTLDK-KRWDZBQOSA-N 338.879 2.880 10 50 EFCA COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 454241 JXBLCRKRNDYWHK-RAXLEYEMSA-N 340.310 2.501 10 50 EFCA CC[C@H](N[C@@H](C)C[S@](C)=O)c1cc(Br)ccc1O 119174464 BSYXDILSKIPLNI-RPRQWQAVSA-N 334.279 2.962 10 50 EFCA Cc1cc(CN(C)C2CCN(c3ccc4c(c3)OCO4)CC2)no1 584893144 GLNJXHACIGHOPK-UHFFFAOYSA-N 329.400 2.813 10 50 EFCA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc2c(c1)CCN2C 190426979 LHNWMGDYUDZLFZ-HKUYNNGSSA-N 340.471 2.905 10 50 EFCA OC1CCN(c2ccc(CN[C@@H]3CCC34CCOCC4)cc2F)CC1 367065002 GPSLNCKXCMTYSB-LJQANCHMSA-N 348.462 2.836 10 50 EFCA O=C1N=C(O)/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N1Cc1ccccc1 312858 QJHNHZDMOWIDCL-XYOKQWHBSA-N 341.279 2.690 10 50 EFCA CCOc1cccc(CN2CCC(C(=O)NCC(C)C)CC2)c1O 4725481 OYYGHQQICPIXGY-UHFFFAOYSA-N 334.460 2.775 10 50 EFCA CCO[C@H]1COCC[C@@H]1NC(=O)c1c(C)c2cccc(C)c2n1C 1565507224 QXDXWDSQDOTHGB-HOTGVXAUSA-N 330.428 2.719 10 50 EFCA CCN(CC)c1ccc(CN[C@@H](Cn2cncn2)C2CC2)cc1F 225408204 STGLARLDCOSZAY-KRWDZBQOSA-N 331.439 2.832 10 50 EFCA CN(C)c1ccc(CNC(=O)c2ccc(N3CCOCC3)cc2)cc1 63902941 YMYXENAASKYNQM-UHFFFAOYSA-N 339.439 2.519 10 50 EFCA Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cccc(C)c2O)cc1 154874490 NIKGMHOFVCKZQL-HNNXBMFYSA-N 333.453 2.961 10 50 EFCA O=C(O)c1ccccc1/N=N/c1ccc(N(CCO)CCO)cc1 5421164 KAOXHXDKFGCWPK-VHEBQXMUSA-N 329.356 2.591 10 50 EFCA Cc1cccc([C@@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)c1O 5029521 GLDBKXQJVBLMMN-OAHLLOKOSA-N 329.425 2.604 10 50 EFCA CCCCN1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)cc2)C1=O 2847432 SALAJGLBMALYRT-DTQAZKPQSA-N 341.411 2.549 10 50 EFCA CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2CCO)cc1 4900729 DCBKVJDTSACBOJ-FMIVXFBMSA-N 335.407 2.625 10 50 EFCA CC[C@@H](NCc1cccnc1N1CCOCC1)c1ccccc1O 170599626 PDZGBZPOZDNHLT-QGZVFWFLSA-N 327.428 2.865 10 50 EFCA COCCCNc1ccc2c3c(nc(=O)n2C)-c2ccccc2C(=O)c13 2829886 KZBONHDJJQGDRE-UHFFFAOYSA-N 349.390 2.593 10 50 EFCA OCC1CCN(c2ccc(CN[C@@H]3CCCc4n[nH]cc43)cc2)CC1 375792442 QEBKXSHBNDXUGR-LJQANCHMSA-N 340.471 2.786 10 50 EFCA COc1cc2c(cc1OC)CN(Cc1cccc(OC)c1O)CC2 23281974 XLNARJXJDUHMIR-UHFFFAOYSA-N 329.396 2.976 10 50 EFCA COc1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1OC 22017055 CILXPSVAWPWFEC-UHFFFAOYSA-N 340.331 2.886 10 50 EFCA CCCCN1C(=O)NC(=O)/C(=C/c2ccc(N(CC)CC)cc2)C1=O 4706827 YMSGKZJECMCWKY-SSZFMOIBSA-N 343.427 2.795 10 50 EFCA Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(O)cc1F 184622205 RQFKWOXAQKIHPY-UHFFFAOYSA-N 326.305 2.549 10 50 EFCA CC(=O)c1cc(C)cc([C@@H](C(=O)O)N2Cc3ccccc3C2=O)c1O 2356162376 ASCNIVPLMAVJIQ-INIZCTEOSA-N 339.347 2.685 10 50 EFCA COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC 802 RGVPOXRFEPSFGH-AWEZNQCLSA-N 345.395 2.553 10 50 EFCA investigational COc1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 315767 ACFPWQLYZJDAOV-UHFFFAOYSA-N 341.367 2.566 10 50 EFCA CC(C)CCCN/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 19595360 FSROKDAUAXBXSV-UVTDQMKNSA-N 349.818 2.833 10 50 EFCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3C)C2=O)cc1Cl 4845811 TWEZSFNUNPXYNH-JYRVWZFOSA-N 343.770 2.653 10 50 EFCA Cc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 100833934 UEYBHTXZNCGRAG-WJDWOHSUSA-N 335.363 2.569 10 50 EFCA CN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)C(=O)N(C)C1=S 451188 XHSRNQLOCVIDIL-UHFFFAOYSA-N 336.416 2.952 10 50 EFCA O=c1oc2c(CNC[C@@H]3CCCO3)c(O)c(Cl)cc2c2c1CCC2 20403482 DCWNAROZAKDTEK-JTQLQIEISA-N 349.814 2.909 10 50 EFCA CN1CCc2cc(CN[C@H](c3nccn3C)C3CCOCC3)ccc21 886072098 QBBOSIBDXXTLNZ-IBGZPJMESA-N 340.471 2.670 10 50 EFCA Cn1nc(CNC(=O)NCc2cccc(Cl)c2O)c2ccccc21 1686062000 CRXBWBFUYXQUMF-UHFFFAOYSA-N 344.802 2.932 10 50 EFCA Cc1noc([C@@H](NCc2ccc3c(c2)CCO3)C2CCOCC2)n1 328617705 DAHLCXJKWFLCGO-KRWDZBQOSA-N 329.400 2.570 10 50 EFCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 2942217 AUZSPYBTAQYPEF-WUXMJOGZSA-N 342.738 2.530 10 50 EFCA Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)/C2=C1/C(=O)Nc2ccccc21 5060015 IGHLYFXMYVYVGM-CCEZHUSRSA-N 335.319 2.743 10 50 EFCA COc1ccc(CN2C(=O)N=C(O)/C(=C\c3ccoc3)C2=O)cc1 1295613 ACSWDMVGOCPGIW-RIYZIHGNSA-N 326.308 2.791 10 50 EFCA Cc1cc([C@@H](C(=O)O)N2Cc3ccccc3C2=O)c(O)c(F)c1F 2356133788 DPLTXORKPTUAES-AWEZNQCLSA-N 333.290 2.761 10 50 EFCA CN(Cc1cccc(OC(F)F)c1)C(=O)Cc1ccc(O)c(O)c1 1875305262 NTXMJGCRBWNLFY-UHFFFAOYSA-N 337.322 2.900 10 50 EFCA Cc1cc(/C=C2/C(=O)NC(=S)N=C2O)c(C)n1-c1ccc(F)cc1 1839076 NZTQOYKVWAAYDE-UHFFFAOYSA-N 343.383 2.988 10 50 EFCA CCN1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 2994025 QNLNTFJBVIUVLM-LFIBNONCSA-N 337.379 2.576 10 50 EFCA Cc1cccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c1 54285083 OHVMRGSPOYVPLJ-UHFFFAOYSA-N 340.423 2.527 10 50 EFCA COc1ccc2c(c1NC(=O)NCc1cc(O)ccc1O)CCC2 1775991575 HBHNBUZHLWEGFH-UHFFFAOYSA-N 328.368 2.917 10 50 EFCA CC(C)(C)n1cccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 100331262 IRSXHSGQXIJUHP-NTCAYCPXSA-N 337.379 2.910 10 50 EFCA COc1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 16667594 HJNHBTUPGKWFQR-DHDCSXOGSA-N 328.755 2.810 10 50 EFCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C)s3)C2=O)cc1 2847488 JUBIVLJMMPRADV-NTEUORMPSA-N 342.376 2.732 10 50 EFCA CN(C)c1ccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 274888 WOYBLKJYHGFCGB-DHDCSXOGSA-N 336.347 2.826 10 50 EFCA CCOc1cccc(CN2CCC(C(=O)N3CCCC3)CC2)c1O 5673785 TYUWVYIQAZRREG-UHFFFAOYSA-N 332.444 2.625 10 50 EFCA Cc1nsc(N)c1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1875300818 RKUZMCLZTGXMRF-UHFFFAOYSA-N 330.457 2.906 10 50 EFCA O=S(=O)(Nc1ccc(O)cc1)c1ccc(Br)cc1 443468 YSILONFCVSXASD-UHFFFAOYSA-N 328.187 2.956 10 50 EFCA CCCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 2989477 JXBHHZNFEWTUDC-XYOKQWHBSA-N 337.422 2.761 10 50 EFCA Nc1ccc(CC(=O)NCC2(N3CCSCC3)CCCCC2)cc1 237898502 ROVNLYPOKNALQT-UHFFFAOYSA-N 347.528 2.679 10 50 EFCA C[C@H]1C[C@@H]1N1C(=O)/C(=C\c2ccnn2-c2ccncc2)SC1=S 1875304314 GXBSQFKGRGHZHH-SJRRITSVSA-N 342.449 2.877 10 50 EFCA CCOC(=O)CCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 2479978 YTULSHQTVAGQDI-UHFFFAOYSA-N 339.413 2.695 10 50 EFCA COc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1 4865932 OVGAOROEJZBXJI-UHFFFAOYSA-N 328.387 2.726 10 50 EFCA CC(=O)N[C@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O 2470675 MZQGNILNUZYNSG-AWEZNQCLSA-N 327.296 2.667 10 50 EFCA O=C1N=C(N2CCCCCC2)S/C1=C1\C(=O)Nc2ccc(F)cc21 2849781 UUCOVQHHLJAUJX-YPKPFQOOSA-N 345.399 2.994 10 50 EFCA Oc1ccc(Br)cc1CN1CCN(c2ccccn2)CC1 4988017 SQTXGDVAXOEVFI-UHFFFAOYSA-N 348.244 2.872 10 50 EFCA COc1cc(OC)cc([C@@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)c1 170677920 IDTSFPWVORQKTH-OAHLLOKOSA-N 340.423 2.845 10 50 EFCA C[C@H]1C[C@H]1N1C(=O)/C(=C\c2ccnn2-c2ccncc2)SC1=S 1875304313 GXBSQFKGRGHZHH-OMPDBFGFSA-N 342.449 2.877 10 50 EFCA CCN1C(=O)/C(=C2/C=Cc3cc(OC)ccc3N2CC)OC1=S 100302918 XAQIOVUJRUUFGS-CCEZHUSRSA-N 330.409 2.924 10 50 EFCA COc1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 55543802 UAJYOJGHDFDNRI-UHFFFAOYSA-N 327.384 2.926 10 50 EFCA C/C(=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(F)cc1 2700361 QLMSIMXVLWDQAI-WQLSENKSSA-N 325.386 2.892 10 50 EFCA Cc1cc(O)c(CN2CCN(C)CC2)c2oc(=O)c3ccccc3c12 20412557 RQZAKFCNECPURT-UHFFFAOYSA-N 338.407 2.708 10 50 EFCA CN1C(=O)C(=Cc2ccc(Sc3ccccc3)o2)C(=O)N(C)C1=O 2944477 QGBHZVPOCRMPSM-UHFFFAOYSA-N 342.376 2.865 10 50 EFCA Cc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)o1 1803631 YAQFUYCVNCGFPK-SDKXAQGSSA-N 325.411 2.898 10 50 EFCA COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 16677882 WLEIQQOTWUODSD-UVTDQMKNSA-N 328.755 2.810 10 50 EFCA O=C(c1cc(O)cs1)N1CCO[C@H](c2noc(C3CCCC3)n2)C1 2325784504 NMDZOPSWZXCABY-LBPRGKRZSA-N 349.412 2.708 10 50 EFCA COc1ccc(C2=NN[C@@H](c3ccc(OC)c(OC)c3)C2)c(O)c1 535368 JFONVXFESFZSJC-CQSZACIVSA-N 328.368 2.857 10 50 EFCA biogenic Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N=C2O)o1 4704620 WZRLSNKYDSDBNE-UHFFFAOYSA-N 341.279 2.753 10 50 EFCA CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccccc3)S2)CC1 4754848 HKOCPPPZXJOJBL-NTCAYCPXSA-N 344.436 2.932 10 50 EFCA COCCCN1C(=O)/C(=C\c2sccc2C)C(C(=O)OC)=C1C 2826365 WGJHWRZELSLNDV-RAXLEYEMSA-N 335.425 2.766 10 50 EFCA Cc1cccc(N/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 4678795 QQTVRIXABKQODL-GDNBJRDFSA-N 339.326 2.713 10 50 EFCA COc1cc(Br)cc(CN2C[C@@H](C)O[C@H](C)C2)c1O 23281100 AXAWMSXXMLXTLM-NXEZZACHSA-N 330.222 2.773 10 50 EFCA CCOc1ccc(CN[C@@H](C)Cc2cnccn2)cc1COC(C)=O 55244718 BIZXWRYEQZUQCB-AWEZNQCLSA-N 343.427 2.659 10 50 EFCA COC(=O)c1cccnc1N1CCN(c2ccc(OC)cc2)C[C@@H]1C 77408332 FNLKUGCDABRPSR-AWEZNQCLSA-N 341.411 2.592 10 50 EFCA COc1ccc(N2CCN(Cc3cccnc3OC)[C@@H](C)C2)cc1 670469761 CEYFFVHBQKITBT-HNNXBMFYSA-N 327.428 2.810 10 50 EFCA COc1ccc(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)cc1 5392540 QWCKYZWQWCVINK-UHFFFAOYSA-N 339.439 2.724 10 50 EFCA CCOc1ccc(OCC(=O)c2ccc(O)c(CN(C)C)c2O)cc1 19879508 JLEWDTXMIGXLEB-UHFFFAOYSA-N 345.395 2.820 10 50 EFCA O=C(Cc1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1 49740531 PQHFFPQVDNLRNP-UHFFFAOYSA-N 328.387 2.521 10 50 EFCA CC1CCN(c2ccc(/C=C3\SC(=N)NC3=O)cc2[N+](=O)[O-])CC1 4117237 BAQNZHAEYRBBCQ-ZROIWOOFSA-N 346.412 2.970 10 50 EFCA COc1ccc(N2CCN([C@@H]3CCCN(CC4CC4)C3)CC2)cc1 22914438 UCTLLBXNFPYFNI-LJQANCHMSA-N 329.488 2.692 10 50 EFCA CCOc1cccc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1O 5010320 WFLPRDXYVBKDRZ-ZBFHGGJFSA-N 340.423 2.572 10 50 EFCA COc1ccc2nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c2c1 2876279 APROZIDTZCKCHQ-UHFFFAOYSA-N 330.365 2.958 10 50 EFCA C[C@@H]1Cc2cccc3c(O)c(C(=O)Nc4ccc(N)cc4)c(=O)n1c23 299738159 COGNNUHPNHYQQE-SNVBAGLBSA-N 335.363 2.659 10 50 EFCA Cc1cc(O)nc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 1775990109 JUJMLXXFGWXZCE-STQMWFEESA-N 346.406 2.855 10 50 EFCA CCN1C(=O)/C(=C/c2ccc(OC)c(Br)c2)NC1=S 202540 LCTGYGQWUOSAAU-YFHOEESVSA-N 341.230 2.535 10 50 EFCA Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)cc1 447583 KMYNKKZGGWVHGJ-XNTDXEJSSA-N 338.388 2.532 10 50 EFCA COc1cc(OC)c(OC)cc1/C=C1\SC(N2CCCC2)=NC1=O 13552737 WWNUVFOFFDTLIA-DHDCSXOGSA-N 348.424 2.779 10 50 EFCA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCC1CCNCC1 54352 MGEGTEUVWCKGRL-LGMDPLHJSA-N 344.434 2.802 10 50 EFCA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(O)ccc2ccccc12 230012 CWGSCFDKBBQUHY-MRXNPFEDSA-N 326.352 2.736 10 50 EFCA O=C(c1ccco1)c1coc2ccc(O)c(CN3CCOCC3)c12 217950320 OCABLKQAZCNYQQ-UHFFFAOYSA-N 327.336 2.795 10 50 EFCA biogenic CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)O)cc1 14011446 SFOTVGLXFLCVRD-BOPFTXTBSA-N 336.347 2.956 10 50 EFCA CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 279820 AGZGSYPAWGOYFY-HNNXBMFYSA-N 347.484 2.887 10 50 EFCA COc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)c(OC)c1 6701271 QVEVHQCZVPQXSZ-RBUKOAKNSA-N 345.395 2.607 10 50 EFCA CC(C)[C@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 6733644 NDXUDJQPVNVPJV-INIZCTEOSA-N 345.395 2.576 10 50 EFCA biogenic Cc1cc(-c2ccc(/C=C3/C(=O)NC(=O)N=C3O)o2)ccc1[N+](=O)[O-] 4853454 FWEQFBGOWJIGRP-UHFFFAOYSA-N 341.279 2.753 10 50 EFCA CCOC(=O)c1coc(N2CCN(c3ccc(OC)cc3)C[C@H]2C)n1 243901872 BFAKVWTYAWYTNQ-CYBMUJFWSA-N 345.399 2.575 10 50 EFCA CCc1cc(=NCc2ccc(N3CCC(O)CC3)c(F)c2)cc[nH]1 827420126 KOVYLXRFFUOJTM-UHFFFAOYSA-N 329.419 2.778 10 50 EFCA CC[C@@H](C)N1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)NC1=S 316117 GIMVWDZKPLKMMM-SEEODLKFSA-N 327.409 2.593 10 50 EFCA CN(C)c1ccc([C@H]2C=C(c3ccc(F)cc3)Nc3nnnn32)cc1 100817337 BWYWNHHRDLEPBR-QGZVFWFLSA-N 336.374 2.934 10 50 EFCA CCc1cc(N[C@@H](C)c2ccccc2O)nc(N2CCOCC2)n1 1704353783 LPRHPTBKCPLHHY-ZDUSSCGKSA-N 328.416 2.754 10 50 EFCA O=C1/C(=C/c2ccc(N3CCOCC3)cc2)C(O)=NN1c1ccccc1 5590895 VLWPRULMGYTCPT-NBVRZTHBSA-N 349.390 2.825 10 50 EFCA COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O 16195036 KFNUKOIHAILMFC-GHXNOFRVSA-N 344.754 2.516 10 50 EFCA Cc1c(C)c(C)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)c1C 2380233 RHBBGTWYCGFHNR-UHFFFAOYSA-N 330.453 2.827 10 50 EFCA CN1C(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)N(C)C1=O 2979222 OKWVEVNIWOUQAY-UHFFFAOYSA-N 343.770 2.565 10 50 EFCA CCN(CC)c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1 62614 FNMQTOPJOIFGTJ-DTQAZKPQSA-N 345.468 2.835 10 50 EFCA CCCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)C)cc1 4044267 MJPVSLVWULGNSN-INIZCTEOSA-N 347.484 2.889 10 50 EFCA O=C(Nc1nncs1)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1781785 PZMOILGGEKTSFU-UHFFFAOYSA-N 337.360 2.856 10 50 EFCA COc1ccc(N2C(=O)/C(=C\c3cccn3C)C(O)=NC2=S)cc1 1297715 RQBAEMOPAPRGNU-UVTDQMKNSA-N 341.392 2.705 10 50 EFCA CC[C@H](N[C@@H](C)C[S@](C)=O)c1cc(Br)ccc1O 183861591 BSYXDILSKIPLNI-BMKPQVEQSA-N 334.279 2.962 10 50 EFCA O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1c[nH]c2ccccc12 84752 CWXOZAXGQUQACD-GDNBJRDFSA-N 337.379 2.962 10 50 EFCA biogenic CN1C(=O)C(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)N(C)C1=S 2797191 NVHALQKXBOZLGF-UHFFFAOYSA-N 344.367 2.684 10 50 EFCA CCOc1cc(/C=C2\SC(=S)N(CCOC)C2=O)ccc1O 2677656 DVIKJDFWWBIODQ-LCYFTJDESA-N 339.438 2.639 10 50 EFCA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2O)NC(=O)N1 196838 YJPDYCCHDVBIGX-QGZVFWFLSA-N 337.379 2.967 10 50 EFCA Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)N=C2O)cc1 17044339 HWHNBSBAEKIDEN-GXDHUFHOSA-N 339.351 2.525 10 50 EFCA C[C@H]1COCCN1[C@H](C)CNCc1cc(Cl)cc(Cl)c1O 408512924 QDJYVNCVIPWIOM-MNOVXSKESA-N 333.259 2.898 10 50 EFCA CCC1=NN2C(=N)/C(=C/c3ccc(OC(C)=O)cc3)C(=O)N=C2S1 372776 QGDWELWWKSPUJA-OTDRQLNTSA-N 342.380 2.641 10 50 EFCA CCN1/C(=C2/SC(=S)N(CC(=O)O)C2=O)C=Cc2ccccc21 100541772 GQDXQDWDWXXKQR-WYMLVPIESA-N 346.433 2.696 10 50 EFCA O=S(=O)(c1ccc(Cl)c2nonc12)N1CCc2ccccc21 17070670 FUZOKDAANGHCBS-UHFFFAOYSA-N 335.772 2.628 10 50 EFCA OC[C@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccccc1 1506418030 NRVXRBNTUZHPPH-SFHVURJKSA-N 340.423 2.707 10 50 EFCA O=C(CSc1ccccc1)NCc1ccc(N2CCOCC2)cc1 10113287 UHRNQWGZTBRCKG-UHFFFAOYSA-N 342.464 2.932 10 50 EFCA O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NC1CCCC1 1168510 FDRSPBRXRZCLOM-UVTDQMKNSA-N 346.477 2.947 10 50 EFCA CCCOc1ccc2ccccc2c1C=C1C(=O)NC(=S)NC1=O 2087110 DJJHHRLFGUEVLX-UHFFFAOYSA-N 340.404 2.543 10 50 EFCA Oc1ccc(Cl)cc1CN1CCc2nnc([C@@H]3CCCO3)n2CC1 20776514 FZCOLHGWVVTVIC-HNNXBMFYSA-N 348.834 2.547 10 50 EFCA O=C(c1ccc(NCc2cccc(F)c2O)cc1F)N1CCOCC1 1875274957 GJKMFDRYQXNDJJ-UHFFFAOYSA-N 348.349 2.755 10 50 EFCA COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(C)C 463144 CDVAVXZDVGTVPB-UHFFFAOYSA-N 334.368 2.950 10 50 EFCA CC(C)=CCN1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO 104510879 YWPFBKOHXDTLDK-QGZVFWFLSA-N 338.879 2.880 10 50 EFCA Cc1nn(C)c(Cl)c1/C=C/C(=O)N1C[C@@H](C(=O)O)c2ccccc21 177479120 UTLYSIUXPLHYOV-SBDDDAINSA-N 345.786 2.610 10 50 EFCA CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2cccs2)C1=O 5123739 ZQEQKCQLCQRCDK-BENRWUELSA-N 342.376 2.813 10 50 EFCA COc1ccc(C(=O)C=[N+]=[N-])c([N+](=O)[O-])c1OCc1ccccc1 4576578 XNHXKIXWWOCFIN-UHFFFAOYSA-N 327.296 2.666 10 50 EFCA COc1cccc(CN2CCC[C@@H](C(=O)c3ccccn3)C2)c1O 65408258 WJNDQCQPCJEAAM-CQSZACIVSA-N 326.396 2.891 10 50 EFCA CCOc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1OC 6499553 QHUHKMJJSSGQQF-NTCAYCPXSA-N 338.363 2.555 10 50 EFCA CC1=NN(Cc2ccccc2Cl)C(=O)/C1=C(/N)N1CCC(C)CC1 170602617 UWIMECBGRINZJV-MSUUIHNZSA-N 346.862 2.960 10 50 EFCA Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N(C)C)cc2)C1=O 314036 POTMFZVARAMQAK-FOWTUZBSSA-N 349.390 2.727 10 50 EFCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)c1C 2814294 UAAGRGZEWADLIQ-XNTDXEJSSA-N 336.347 2.675 10 50 EFCA O=C(O)CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 969831 GCRBQKXOMBELDV-GHXNOFRVSA-N 332.406 2.844 10 50 EFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3)C2=O)cc1 175442 MNEQBEAHIJMPEB-FOWTUZBSSA-N 336.347 2.752 10 50 EFCA CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCC2 116579 PJLKFDHWTSQMKX-UHFFFAOYSA-N 325.386 2.607 10 50 EFCA O=[N+]([O-])c1ccc(O)c([C@@H](C#Cc2ccccc2)N2CCOCC2)c1 174211 NNUMAVFPEBRJND-GOSISDBHSA-N 338.363 2.725 10 50 EFCA CC(C)(C)c1cc(C=C2C(=O)NC(=O)NC2=O)cc(C(C)(C)C)c1O 3148912 NKOUDWIMOKKMNQ-UHFFFAOYSA-N 344.411 2.737 10 50 EFCA CC[C@@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccnn1C 67774445 JMLAIVAWKQNGCV-MRXNPFEDSA-N 342.443 2.859 10 50 EFCA CCOC(=O)c1ccc(NC(=S)NNc2nc(C)cc(C)n2)cc1 615126 DLBOUYGSARJVGG-UHFFFAOYSA-N 345.428 2.584 10 50 EFCA COc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 3684252 BWHSGNQCTCHYBU-UHFFFAOYSA-N 326.396 2.746 10 50 EFCA COC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 457562 TVOLYGLBSCWAPW-JTQLQIEISA-N 328.320 2.895 10 50 EFCA biogenic O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1Cl 5090914 GPCMOMXCXQLILH-UHFFFAOYSA-N 328.733 2.755 10 50 EFCA COC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 4860292 CFZLAYOKMLRKKT-UXBLZVDNSA-N 327.814 2.714 10 50 EFCA O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccco1 464264 JRUJAUZRHFGBEF-XYOKQWHBSA-N 330.727 2.595 10 50 EFCA CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc[nH]3)C2=O)cc1 17029124 AJUVLDCYLGGLFU-UVTDQMKNSA-N 325.324 2.920 10 50 EFCA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)cc(Cl)c1O 70007 FWRVUCRXWVJELK-LLVKDONJSA-N 345.182 2.890 10 50 EFCA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 235741 VPTJEFRWTUPUIV-MRXNPFEDSA-N 347.484 2.745 10 50 EFCA COc1ccccc1[C@H](Nn1cnnc1)c1cc(Cl)ccc1O 1882128 ZVQWJQPKVWXTPV-INIZCTEOSA-N 330.775 2.979 10 50 EFCA CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2cc([N+](=O)[O-])ccc21 5059649 FSOFFNVQXMZCMS-FOCLMDBBSA-N 335.319 2.824 10 50 EFCA CCCN1CCCc2cc(CNCCCN3CCOCC3)ccc21 32919783 HBZOEORDKHAEHQ-UHFFFAOYSA-N 331.504 2.661 10 50 EFCA COc1ccc(CNC(=O)[C@H]2CSc3ccccc3O2)c(O)c1 225447385 XPRLGQDBGWAGCJ-OAHLLOKOSA-N 331.393 2.570 10 50 EFCA CSc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)o1 881851312 IOVKLKIXQXCTPL-UHFFFAOYSA-N 345.468 2.683 10 50 EFCA O=C1NN=C(C(F)(F)F)C1=CNCc1cccc(C(F)(F)F)c1 2040736802 ABALIUONNHETAO-UHFFFAOYSA-N 337.223 2.727 10 50 EFCA CC(C)C1=NN2C(=N)/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N=C2S1 5093107 JPMNFFAQFOGUGM-RQWODAFVSA-N 343.368 2.870 10 50 EFCA O=S1(=O)CCCN1c1cccc(NCc2cc(F)ccc2O)c1 1776006741 ZIKQOMVWGOZLGS-UHFFFAOYSA-N 336.388 2.683 10 50 EFCA O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1C[C@H]1CCCO1 1188034 ZRZKNKDDQWCPRX-LLUUXILJSA-N 349.433 2.796 10 50 EFCA CN(C)c1ccc([C@@H]2C=C(c3ccc(F)cc3)Nc3nnnn32)cc1 100817331 BWYWNHHRDLEPBR-KRWDZBQOSA-N 336.374 2.934 10 50 EFCA CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 5960466 JKWRWKBRCJRSKM-VUBLIPMDSA-N 325.386 2.890 10 50 EFCA COC(=O)c1ccsc1N1CC[C@@H](Sc2nccs2)C1=O 174015502 CKAATMPJDACZQX-SECBINFHSA-N 340.451 2.889 10 50 EFCA COc1ccc(N2CCN(C(=O)CCc3ccncc3)[C@@H](C)C2)cc1 72474664 CYLKPIHOZBEXIA-INIZCTEOSA-N 339.439 2.760 10 50 EFCA CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1215485 NWTMBZAOESKGQC-HQQGHWSLSA-N 337.422 2.847 10 50 EFCA O=C(NCc1ccc(O)cc1O)[C@@H]1CCCCN1Cc1ccccc1 910951531 SCGLZJDBHKFPOL-SFHVURJKSA-N 340.423 2.769 10 50 EFCA O=C(O)C[C@H]1CCCN(Cc2ccc(Br)cc2O)C1 691420750 AWUOYHNYQDUPCB-SNVBAGLBSA-N 328.206 2.841 10 50 EFCA CCOC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 4805935 UHWWCKXTUHQBLO-CSKARUKUSA-N 327.452 2.903 10 50 EFCA CC(C)(C)n1nc(C(=O)NCCc2ccc(O)c(O)c2)cc1C1CC1 156597809 ZPMBVYXZZKRREI-UHFFFAOYSA-N 343.427 2.899 10 50 EFCA O=C(O)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc1 8739533 LXHVLHODSDJMDA-GXDHUFHOSA-N 336.303 2.892 10 50 EFCA CN1C(=O)/C(=C2\SC(N3CCCCCC3)=NC2=O)c2ccccc21 12731340 OQJQRFJNKYEYDB-PFONDFGASA-N 341.436 2.880 10 50 EFCA Cn1ccnc1[C@@H]1OCCC[C@H]1CNCc1ccc2c(c1)CCO2 850111900 QULWRBFRLFUARJ-FUHWJXTLSA-N 327.428 2.613 10 50 EFCA Cc1ccc(OCCC(=O)NCc2c(O)cc(O)cc2O)c(C)c1 1776004026 KWSAFTHNWFTXPY-UHFFFAOYSA-N 331.368 2.506 10 50 EFCA COC(=O)c1ccsc1N1CC[C@H](Sc2nccs2)C1=O 174015490 CKAATMPJDACZQX-VIFPVBQESA-N 340.451 2.889 10 50 EFCA Cc1ccc(CN2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1F 170597522 IXIYLDGEVMNURP-UHFFFAOYSA-N 341.430 2.603 10 50 EFCA CCc1cc(N[C@H](C)c2ccccc2O)nc(N2CCOCC2)n1 1704353782 LPRHPTBKCPLHHY-CYBMUJFWSA-N 328.416 2.754 10 50 EFCA CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 100498371 NLBCELJQHBEUJT-GDNBJRDFSA-N 337.335 2.809 10 50 EFCA O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1C1CCNCC1 377812066 SFVJXAFARGTHDU-RBUKOAKNSA-N 327.472 2.539 10 50 EFCA CO[C@H]1COCC[C@@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 1565526556 QPPFJGGPQROHNH-PMACEKPBSA-N 330.472 2.538 10 50 EFCA CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccc1O)C2=O 19323159 BKCNBHKSEHFEMW-UHFFFAOYSA-N 328.456 2.890 10 50 EFCA biogenic Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccc(O)c3)C2=O)c1 179571 BHKVUZDZWJNEBA-MHWRWJLKSA-N 336.347 2.675 10 50 EFCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 1213676 KYMQJVKZKTWEJE-RDQDRAATSA-N 337.422 2.703 10 50 EFCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2O)SC1=S 2820965 QCZXCYPLOQQSTI-RDQDRAATSA-N 337.422 2.703 10 50 EFCA CCOc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1 6701818 OLTVRKQQAWTPJH-RBUKOAKNSA-N 329.396 2.988 10 50 EFCA CN1CCC[C@@H](CNC(=O)c2cccc(O)c2O)[C@H]1c1cccs1 248709367 BXLSOHHDSPUHFN-LRDDRELGSA-N 346.452 2.972 10 50 EFCA CC(=O)c1cccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)c1 100802400 KEWQCDZCLVWXQT-UHFFFAOYSA-N 329.352 2.945 10 50 EFCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccoc1 5044059 WAIXYBQCJMILSV-GHXNOFRVSA-N 332.768 2.764 10 50 EFCA CC(C)n1cc(-n2ccnc2-c2ccc(N(C)CCO)cc2)cn1 1857690330 HESUFIOGPTYQQG-UHFFFAOYSA-N 325.416 2.745 10 50 EFCA COc1cc2c(cc1OC)CN(Cc1cc([N+](=O)[O-])ccc1O)CC2 4988197 ZDDJLDSZWFYXBT-UHFFFAOYSA-N 344.367 2.876 10 50 EFCA CCOc1cccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1O 39387761 ZVZOLDDUINORCW-GOSISDBHSA-N 348.487 2.602 10 50 EFCA CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1C 3878088 JKWJJJPFDNIHAX-MRXNPFEDSA-N 331.416 2.674 10 50 EFCA COC(=O)c1cc(CNC2CCN(c3ccc(OC)cc3)CC2)c[nH]1 252539883 OPZCOSDBJIASAI-UHFFFAOYSA-N 343.427 2.569 10 50 EFCA COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1 19909795 KAHGBOHCJFKVGS-LJQANCHMSA-N 343.379 2.551 10 50 EFCA in-vitro COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(O)cc1 113259 ZUXQHTYZVUYONY-YBEGLDIGSA-N 339.347 2.858 10 50 EFCA Cc1cc(O)c(CN2CCOCC2)c2oc(=O)c3ccccc3c12 20412555 BCHASJXEOCLJRS-UHFFFAOYSA-N 325.364 2.792 10 50 EFCA COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccccc1 112878 OUIQHYVMHDRYKU-CNYBTUBUSA-N 327.380 2.538 10 50 EFCA CCc1n[nH]cc1C(=O)N1CCN(c2ccc(OC)cc2)C(C)(C)C1 77504763 XSHOGSRHOGTCKX-UHFFFAOYSA-N 342.443 2.722 10 50 EFCA CC[C@H](NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1O 155181322 AKBDEFGRLAKOOP-SFHVURJKSA-N 340.471 2.780 10 50 EFCA COCCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 1778805 HDGJDHUCYGYGKT-LCYFTJDESA-N 339.438 2.639 10 50 EFCA O=C1N=C(N2CCN3CCC[C@H]3C2)S/C1=C\c1ccc(F)cc1 166630822 URLAKGNUMBZJIX-QTNMRXCUSA-N 331.416 2.576 10 50 EFCA Cc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)C(=O)NC2=S)cc1 445900 YPCRJIIPMIHTMC-XNTDXEJSSA-N 340.379 2.965 10 50 EFCA COC(=O)c1ccc(O)c(CNc2ccc(C(=O)NC(C)C)cc2)c1 1775992138 XQULEQLWXSAKQS-UHFFFAOYSA-N 342.395 2.929 10 50 EFCA O=C1OC2(CCCC2)OC(=O)C1=Cc1occc1Br 2532430 PVKGSRVPSGDKME-UHFFFAOYSA-N 327.130 2.796 10 50 EFCA COc1cccc(O)c1[C@@H]1c2nc[nH]c2CCN1CCCSC 67490316 YYVCJFXATWLWMQ-QGZVFWFLSA-N 333.457 2.825 10 50 EFCA O=C1NC(=S)S/C1=C\c1ccc(I)cc1 13382070 LIRUBCDZKKWCPS-YVMONPNESA-N 347.202 2.780 10 50 EFCA CC[C@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccnn1C 67774442 JMLAIVAWKQNGCV-INIZCTEOSA-N 342.443 2.859 10 50 EFCA CCOC(=O)[C@@H]1CCCN(Cc2cc(-c3ncccn3)ccc2O)C1 20819089 AOLZHVMBPGHCSF-OAHLLOKOSA-N 341.411 2.624 10 50 EFCA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1F 135999935 FFKXVLGGFJUGPZ-UHFFFAOYSA-N 346.723 2.894 10 50 EFCA CCOC(=O)C1=C(C)N=C(SC)N[C@H]1c1ccc(N(C)C)cc1 758774 BRMLGFHUJIEPJR-HNNXBMFYSA-N 333.457 2.953 10 50 EFCA COCCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 2167242 JCNVVJIZEDHRED-SDNWHVSQSA-N 336.482 2.990 10 50 EFCA O=C(O)CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1806900 IZMJTWCXUUYGLB-DHZHZOJOSA-N 325.386 2.892 10 50 EFCA CN1C(=O)N=C(O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C1=O 8914492 JQXSVPPVVUUSMN-XYOKQWHBSA-N 340.291 2.577 10 50 EFCA OCC[C@@H]1CN(Cc2ccccc2O)CCN1Cc1ccccc1F 76949861 LSJMBALNVQMUHY-GOSISDBHSA-N 344.430 2.600 10 50 EFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 1213679 KYMQJVKZKTWEJE-SEVUFMINSA-N 337.422 2.703 10 50 EFCA CN(C)C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 363187290 KFHKDHGSZBVYGW-NSHDSACASA-N 331.338 2.683 10 50 EFCA COc1ccc([C@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3C)cc1 136345681 KNBJGGAZDRQYCX-WBBBXAHXSA-N 336.351 2.670 10 50 EFCA CC(=O)N[C@@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O 2470670 MZQGNILNUZYNSG-CQSZACIVSA-N 327.296 2.667 10 50 EFCA N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1cccnc1)O3 136511807 UTGGKOZCMLMNPO-LTCOOKNTSA-N 333.351 2.590 10 50 EFCA C[C@H]1CCCN(c2ccc(CNC(=O)c3cc4ncccn4n3)cc2)C1 97447059 VZFGAPNBSGLSTD-HNNXBMFYSA-N 349.438 2.896 10 50 EFCA CC(C)CCN1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1CCO 20999105 RXRGQVIQGJANOT-KRWDZBQOSA-N 340.895 2.960 10 50 EFCA COc1ccccc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 966899 BTCMQQGKQFZTRR-FMIVXFBMSA-N 337.422 2.761 10 50 EFCA COc1ccc(N2CCN(C(=O)COc3cccc(C)c3)CC2)cc1 5392544 REDPFKKOHMKCIL-UHFFFAOYSA-N 340.423 2.731 10 50 EFCA CC(=O)c1cc(C)cc([C@H](C(=O)O)N2Cc3ccccc3C2=O)c1O 2356162381 ASCNIVPLMAVJIQ-MRXNPFEDSA-N 339.347 2.685 10 50 EFCA COc1ccc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 7150216 JPCMNLZLTAXMET-UHFFFAOYSA-N 332.350 2.936 10 50 EFCA CN1CCC[C@@H](CNC(=O)c2cccc(O)c2O)[C@@H]1c1cccs1 193089692 BXLSOHHDSPUHFN-BLLLJJGKSA-N 346.452 2.972 10 50 EFCA O=[N+]([O-])c1ccc(NNC(=S)Nc2ccccc2)c([N+](=O)[O-])c1 5224526 QKMWFXXZYZZHSO-UHFFFAOYSA-N 333.329 2.817 10 50 EFCA O=c1oc2c(CN3CCOCC3)c(O)ccc2cc1-c1ccccc1 20605478 KWHLYUUHTKVQIQ-UHFFFAOYSA-N 337.375 2.998 10 50 EFCA COc1cc(Br)cc(CN2C[C@H](C)O[C@H](C)C2)c1O 23281094 AXAWMSXXMLXTLM-AOOOYVTPSA-N 330.222 2.773 10 50 EFCA Cc1ccc(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 72140008 XBBYRHPGMIJZJW-UHFFFAOYSA-N 337.467 2.606 10 50 EFCA O=C(NCc1cccc(CN2CCCC2=O)c1)c1cc(O)cs1 408512901 YHYVHYTYHZOQKZ-UHFFFAOYSA-N 330.409 2.506 10 50 EFCA CCn1cc(-n2ccnc2-c2ccc(N3CCN(C)CC3)cc2)cn1 1857693581 CQFMIIXDLKTAHT-UHFFFAOYSA-N 336.443 2.508 10 50 EFCA CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 4123234 GGGLSHDXQIEUFJ-OAHLLOKOSA-N 331.416 2.722 10 50 EFCA COc1ccc(N2CCC(N3C[C@H](C(=O)O)[C@@H](C4CC4)C3)CC2)cc1 248132508 LLMJBTDESYUGLO-MOPGFXCFSA-N 344.455 2.707 10 50 EFCA CN(C)Cc1cc(-c2nccn2CC2(CO)CCCC2)ccc1O 72408812 ZAZLRJCXEUOOAC-UHFFFAOYSA-N 329.444 2.870 10 50 EFCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C)cc3)C2=O)cc1 2837279 QSBIZMVOTZGKLS-LFIBNONCSA-N 336.347 2.670 10 50 EFCA Cc1ccc(N2C(=O)/C(=C\c3ccc(C)o3)C(=O)NC2=S)cc1 5044048 QQSPXEAXHMUTNX-ZROIWOOFSA-N 326.377 2.728 10 50 EFCA Cc1cc(/C=C2\C(=O)N=C(O)N(c3ccccc3F)C2=O)c(C)n1C 13802026 LENYZDAWOIGJIV-UKTHLTGXSA-N 341.342 2.652 10 50 EFCA O=C1N=C(N2CCCCC2)S/C1=C\c1cc(O)ccc1[N+](=O)[O-] 267498990 JSDSVBYJQDOZQM-LCYFTJDESA-N 333.369 2.757 10 50 EFCA O=C1/C(=C\c2ccc([N+](=O)[O-])o2)C(O)=NC(=S)N1c1ccccc1 15659322 CMPOSTXJWTUOKQ-FLIBITNWSA-N 343.320 2.859 10 50 EFCA Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(C)c3)C2=O)cc1 100401387 PXFSVSAFIUNVFJ-WJDWOHSUSA-N 335.363 2.882 10 50 EFCA COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cs1 408513816 UOEPYXFKBZYELG-UHFFFAOYSA-N 347.801 2.695 10 50 EFCA CC(C)CN1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO 58494587 VSQRXVFKEZQJGQ-MRXNPFEDSA-N 326.868 2.570 10 50 EFCA OCC[C@@H]1CN(Cc2ccccc2O)CCN1CC1CCCCC1 20541254 HDERCHWRZADXIW-LJQANCHMSA-N 332.488 2.841 10 50 EFCA Cc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 49740542 IDEWORXPEOXQOH-UHFFFAOYSA-N 340.423 2.527 10 50 EFCA CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 2568454 WSPZDJRNGPJNSL-LCFDYFRESA-N 337.422 2.847 10 50 EFCA Cc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)Nc3ccc(O)cc3)cc12 10274253 MQNOBIWPFJCCAL-UHFFFAOYSA-N 344.392 2.651 10 50 EFCA CNC[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 299738802 GRAWLHXSRUXGIU-OAHLLOKOSA-N 329.419 2.915 10 50 EFCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccoc1 15659373 RSERBHSHIVEFPC-SDQBBNPISA-N 332.768 2.764 10 50 EFCA COc1cc(OC)cc([C@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)c1 170677922 IDTSFPWVORQKTH-HNNXBMFYSA-N 340.423 2.845 10 50 EFCA CCc1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 71754917 KWQGOQBFYWHIJM-UHFFFAOYSA-N 338.451 2.945 10 50 EFCA Cc1nc(O)cc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)n1 1506400698 XHXOXIPEIRBUHN-UHFFFAOYSA-N 338.455 2.738 10 50 EFCA COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(Br)cc1 442905 DVAZBKXIISONIP-WQLSENKSSA-N 336.185 2.752 10 50 EFCA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NC3CC3)ccc12 2842099 GZCACHGXLYYNKF-UHFFFAOYSA-N 339.347 2.612 10 50 EFCA Cc1cc(C(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)c(C)n1-c1ccccc1 1615691616 IMDTYAABVWPZLG-WMZOPIPTSA-N 337.423 2.644 10 50 EFCA COCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 4973530 CNBVQLYVMFLNLB-UHFFFAOYSA-N 340.423 2.804 10 50 EFCA O=C(c1cc(O)cs1)N1CCO[C@@H](c2noc(C3CCCC3)n2)C1 2325784503 NMDZOPSWZXCABY-GFCCVEGCSA-N 349.412 2.708 10 50 EFCA CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCCCO 100163455 NDHGTWHEWKSNEW-VAWYXSNFSA-N 344.440 2.655 10 50 EFCA COc1ccc(N2CCN(Cc3ccc([N+](=O)[O-])s3)CC2)cc1 71930742 GPAITZYEKMURHZ-UHFFFAOYSA-N 333.413 2.987 10 50 EFCA CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc(OC)c2O)SC1=S 16676145 RTIALJXXXKEIIE-BJMVGYQFSA-N 340.382 2.530 10 50 EFCA CCc1noc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)n1 1506417976 DBDHJHJHVPMPKY-UHFFFAOYSA-N 326.444 2.879 10 50 EFCA CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1sccc1C 13402089 NCLXYZQKJMMHKT-RAXLEYEMSA-N 335.425 2.766 10 50 EFCA C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1 178840852 DKKLWWNZWUDOBH-KRWDZBQOSA-N 337.467 2.934 10 50 EFCA O=C(NN1C(=O)/C(=C\c2ccco2)SC1=S)c1ccccc1 5681368 YPTDOAKXDBVJJN-FMIVXFBMSA-N 330.390 2.826 10 50 EFCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1C 16312210 OGSWWCPTCJCHSJ-PDGQHHTCSA-N 335.407 2.831 10 50 EFCA COc1ccc(/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 13424016 GULVJNCDTBRYTP-NCXWJRGFSA-N 332.425 2.775 10 50 EFCA OCc1cccc(CNC2CCN(c3ccc4c(c3)OCO4)CC2)c1 828827600 NXJKTKUNXYREJP-UHFFFAOYSA-N 340.423 2.666 10 50 EFCA CC(=O)N1c2cc(CN3CCOCC3)c(O)cc2[C@H](C)CC1(C)C 253495402 CLDZFILPNCZUKG-CYBMUJFWSA-N 332.444 2.863 10 50 EFCA CN(C)/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 4741236 JFMXGJMLYHUYNS-VBKFSLOCSA-N 336.351 2.791 10 50 EFCA CCN1CCN(Cc2cc(-c3cccc(OC)n3)ccc2O)CC1 20136819 YIRSLHNHMXATAT-UHFFFAOYSA-N 327.428 2.600 10 50 EFCA CCOc1ccc(CN[C@H]2COc3c(cccc3OC)C2)cc1CO 15064635 KEMGOCGHPNYIDG-QGZVFWFLSA-N 343.423 2.680 10 50 EFCA CC[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1O 155050786 QGKKNCNVAQACLT-INIZCTEOSA-N 348.468 2.883 10 50 EFCA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CCO2 275260269 HUWNEGMZBINDTP-LPHOPBHVSA-N 327.428 2.592 10 50 EFCA COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 63169 ZMTNTLOFUPYDEK-RVDMUPIBSA-N 336.347 2.670 10 50 EFCA C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 54285043 FPOZYXUHNKGTMN-MRXNPFEDSA-N 340.423 2.607 10 50 EFCA Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2cccnc2O)C1 1875284962 XBKIPDNHKXCMFB-MRXNPFEDSA-N 347.846 2.900 10 50 EFCA O=C(CC1C[C@@H]2CC[C@H](C1)N2)NCCCSc1nccs1 237884694 GTESMCQRQZUHBX-YHWZYXNKSA-N 325.503 2.662 10 50 EFCA CC(C)N1CCC(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1 225521949 ADEAPDBTCJUYFM-UHFFFAOYSA-N 344.503 2.741 10 50 EFCA Cc1ccccc1OCC(=O)NCc1ccc(N2CCOCC2)cc1 10113272 CPYRDQKMLDMQTO-UHFFFAOYSA-N 340.423 2.527 10 50 EFCA COc1ccc(N2CCN(C(=O)[C@@H]3CCCCN3C)CC2(C)C)cc1 77440939 FVPYYGPWVKTTFY-SFHVURJKSA-N 345.487 2.607 10 50 EFCA O=C(O)CN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 1870926 DOMOTUMTOUMEGU-WTKPLQERSA-N 331.777 2.765 10 50 EFCA Cc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccccc2F)C1=O 100103990 WKYJEPQSVDMUKZ-BENRWUELSA-N 339.326 2.713 10 50 EFCA O=C(O)CCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 1147540 VGHWFSANLSMZOL-JYRVWZFOSA-N 347.417 2.681 10 50 EFCA C[C@H]1CN(Cc2c(O)ccc3c4c(c(=O)oc23)CCC4)C[C@H](C)O1 19790372 JBANBRGZVNVLOQ-RYUDHWBXSA-N 329.396 2.597 10 50 EFCA C[C@H]1Cc2cccc3c(O)c(C(=O)Nc4ccc(N)cc4)c(=O)n1c23 299738158 COGNNUHPNHYQQE-JTQLQIEISA-N 335.363 2.659 10 50 EFCA NC(=O)[C@@H]1CC=CC[C@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 826846933 MPIMTYQTTXYYEF-WOJBJXKFSA-N 339.483 2.554 10 50 EFCA O=C1N[C@@H](CC(F)F)C(=O)N1Cc1ccc(N2CCCCC2)cc1 170592506 CCWVAZSBKLMLGQ-AWEZNQCLSA-N 337.370 2.753 10 50 EFCA COc1ccc(CN[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@@H]3C(C)C)cc1C 922385425 BLSOBDHKRNZLDN-LFGUQSLTSA-N 332.488 2.573 10 50 EFCA CS(=O)(=O)N(CCSc1nccs1)Cc1ccccc1 187911136 UMKRTFDXOFZNEO-UHFFFAOYSA-N 328.484 2.697 10 50 EFCA CC1(C)CC(=O)c2cc(CC(=O)O)n(-c3ccc(C(=O)O)cc3)c2C1 8990244 KWEFIWRFXFCYAP-UHFFFAOYSA-N 341.363 2.958 10 50 EFCA c1ccc(-c2cnc(SCc3nnn[nH]3)n2C[C@H]2CCCO2)cc1 299351371 MVGAZPAJRJYTTA-CYBMUJFWSA-N 342.428 2.535 10 50 EFCA COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(F)cc1 462790 JFUDFOKAYQMFMD-CCAPLTMGSA-N 345.370 2.677 10 50 EFCA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1c(O)ccc2ccccc12 358480 YFKPWFCWAQVSSK-MRXNPFEDSA-N 326.352 2.689 10 50 EFCA C[C@H](CNCc1cc(Cl)cc(Cl)c1O)N1CCOC[C@H]1C 408512923 QDJYVNCVIPWIOM-GHMZBOCLSA-N 333.259 2.898 10 50 EFCA CCOc1cc(/N=N/c2c[nH]c(=O)[nH]c2=O)c2ccccc2c1N 71767000 MSQSKIVJQCIVAN-QZQOTICOSA-N 325.328 2.613 10 50 EFCA COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2 5022303 OQGVFRQCGIFXFF-VHSXEESVSA-N 349.408 2.629 10 50 EFCA Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2cccnc2O)C1 1875284961 XBKIPDNHKXCMFB-INIZCTEOSA-N 347.846 2.900 10 50 EFCA COc1ccc(-c2cnn(C)c2)c(-c2nccn2C[C@@H](C)OC)c1 2356159576 HVSURJGQHJRCFT-CYBMUJFWSA-N 326.400 2.994 10 50 EFCA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(N(C)C)c1 3893836 MJKQUPJBQNHNFV-UHFFFAOYSA-N 335.385 2.770 10 50 EFCA CC(=O)c1ccccc1NS(=O)(=O)c1cccc2nsnc12 4750417 SEHBFCYPSJODMO-UHFFFAOYSA-N 333.394 2.695 10 50 EFCA COc1ccc(C2=NN[C@H](c3ccc(OC)c(OC)c3)C2)c(O)c1 535369 JFONVXFESFZSJC-AWEZNQCLSA-N 328.368 2.857 10 50 EFCA biogenic COC(=O)C1=CN(c2ccc(C)cc2)c2ccccc2S1(=O)=O 64979124 PRKAMJHQKDLXJZ-UHFFFAOYSA-N 329.377 2.935 10 50 EFCA in-vitro CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc3c(c2)CCO3)cn1 328644083 RQJYDHAQWUJDNH-PKOBYXMFSA-N 327.428 2.848 10 50 EFCA CC[C@@H](Cn1ccnc1)NC1CCN(c2ccc3c(c2)OCO3)CC1 67689313 QXRDACARUDIUGY-HNNXBMFYSA-N 342.443 2.649 10 50 EFCA COCc1cc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)[nH]n1 1506406325 ZVFWDFLSNYQJAF-UHFFFAOYSA-N 340.471 2.803 10 50 EFCA Nc1ccc(CC(=O)N2CCC3(CC2)OCCc2ccsc23)cc1 1704315279 QTTVVYOCFKZRAS-UHFFFAOYSA-N 342.464 2.963 10 50 EFCA N=C1C=CC(=[n+]2ccc(=C3C=CN(c4ccc(N)cc4)C=C3)cc2)C=C1 1857775477 VRRNGAYSFGVAEP-UHFFFAOYSA-N 339.422 2.780 10 50 EFCA COc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1 55562701 MDKXJSRJJLEHAA-UHFFFAOYSA-N 339.439 2.764 10 50 EFCA N#CC1(C#N)[C@]2(C#N)C(=N)O[C@@]13CCCC[C@H]3C[C@]21CCCCC1=O 136992907 WZHIALLOUWXHNU-PTKHLAPESA-N 336.395 3.000 10 50 EFCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 445750 CEUMGJSJFMWRFO-DHDCSXOGSA-N 344.367 2.923 10 50 EFCA CC(=O)C(=O)c1ccc(N[N+](=O)c2ccc(C(=O)C(C)=O)cc2)cc1 526055762 ZXNJLJQKYRFLLW-UHFFFAOYSA-O 339.327 2.668 10 50 EFCA COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(C)cc1 13785536 OHMDHFIAFFRJQE-FEEIMYBTSA-N 341.407 2.847 10 50 EFCA CC(C)[C@@H](C)NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 241775890 RPYNJRYURCJDMH-NVXWUHKLSA-N 334.460 2.534 10 50 EFCA O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccsc1 1164084 SBUKHHDSSPQKCM-WUXMJOGZSA-N 332.381 2.719 10 50 EFCA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CCN2C 328627622 GITXDAKTNQJSAZ-WMZOPIPTSA-N 326.444 2.515 10 50 EFCA COc1ccc(CN[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)cc1C 922385423 BLSOBDHKRNZLDN-IZBJGVDFSA-N 332.488 2.573 10 50 EFCA COc1cc(N)ccc1/N=N/c1ccc(N(CCO)CCO)cc1C 4774778 NDLYMLYUXCQTLP-QZQOTICOSA-N 344.415 2.792 10 50 EFCA O=S(=O)(Nc1ccc(OC(F)F)cc1)c1cccc2nonc12 157038 DPXYQJMFUJXDRV-UHFFFAOYSA-N 341.295 2.625 10 50 EFCA COCc1cccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c1 408514094 PSLXNFFJVXNTKT-UHFFFAOYSA-N 335.381 2.542 10 50 EFCA COc1cccc(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)c1 45635 CCBYUPOQLAOTOH-NTUHNPAUSA-N 344.417 2.588 10 50 EFCA Oc1ccc2ccccc2c1CN1CCC[C@@H](N2CCOCC2)C1 19219468 WTXWVINXDFLKRS-QGZVFWFLSA-N 326.440 2.842 10 50 EFCA COc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1 12580662 BLZADJLXDOHXLC-LJQANCHMSA-N 341.456 2.866 10 50 EFCA CC(=O)[C@H]1CCc2c(O)c3c(c(O)c2C1)C(=O)c1ccccc1C3=O 5229154 HIIVCLZCYLLSFS-JTQLQIEISA-N 336.343 2.567 10 50 EFCA in-vitro CCn1cc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)nn1 899341457 AWFUXFSCXPLVBB-JXMROGBWSA-N 327.775 2.606 10 50 EFCA CCOC(=O)c1c(N)n(-c2ccc(N)cc2)c2nc3ccccc3nc12 491415 PEUBVNMMBKQHNJ-UHFFFAOYSA-N 347.378 2.915 10 50 EFCA CCS[C@@H](C)c1noc(CN(C)C(=O)c2cccc(O)c2O)n1 408515127 RKWDIULAUQOVQV-VIFPVBQESA-N 337.401 2.567 10 50 EFCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3sccc3C)C2=O)cc1 2847486 DZXCXTPGRHNITR-UKTHLTGXSA-N 342.376 2.732 10 50 EFCA CN1[C@H]2CC[C@H]1CN(C(=O)NCCCSc1nccs1)CC2 241911259 UBAPKOSNZPNKQE-STQMWFEESA-N 340.518 2.503 10 50 EFCA C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3ccnn3C)cc2)C1 216193077 QTYWCMJBGKPEHR-MRXNPFEDSA-N 340.471 2.905 10 50 EFCA CC1(C)OC(=O)C(=CNc2ccc(Br)cc2)C(=O)O1 3846652 FPDIFKRDHUXNFJ-UHFFFAOYSA-N 326.146 2.581 10 50 EFCA biogenic,in-vitro COc1ccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 474578 NRWVUUPZLFLTNY-UHFFFAOYSA-N 332.350 2.936 10 50 EFCA CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 193946295 RZOURNDZOXBGMI-KRWDZBQOSA-N 338.407 2.655 10 50 EFCA CCOC(=O)C1CCN(Cc2cc(-c3cncnc3)ccc2O)CC1 14992436 GQIVGBRFWFFELA-UHFFFAOYSA-N 341.411 2.624 10 50 EFCA COc1ccc(CN[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)cc1C 922385424 BLSOBDHKRNZLDN-JYBIWHBTSA-N 332.488 2.573 10 50 EFCA O=C(NCc1cccnc1)c1nc(-c2ccc(-n3cccc3)cc2)no1 4623065 OIYZGXUKRKBGOH-UHFFFAOYSA-N 345.362 2.852 10 50 EFCA CN1CC[C@H](NC(=O)c2ccc(O)c(O)c2)[C@H]1c1ccc(Cl)cc1 225342278 LSYOXLAYZMJQKP-WMLDXEAASA-N 346.814 2.926 10 50 EFCA CCOCc1cc(CN[C@H]2CCO[C@@H]2c2nccn2C)ccc1OC 275707280 YBCLRFKEZYCYBB-WMZOPIPTSA-N 345.443 2.585 10 50 EFCA CCc1cc(N2CCC[C@@H](NCc3cccc(F)c3O)C2)ncn1 1875284698 HOEPUCNKTMPUPX-OAHLLOKOSA-N 330.407 2.642 10 50 EFCA CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C(/C)N(C)C 4976007 SSQUTMXNFXNXLZ-SREVYHEPSA-N 333.260 2.940 10 50 EFCA Cc1ccc(CN2CCN(Cc3ccccc3O)C[C@H]2CCO)cc1 104525033 RDJXULXBRPKNQZ-HXUWFJFHSA-N 340.467 2.769 10 50 EFCA O=C(O)CCCCCN1C(=O)/C(=C\c2cccnc2)SC1=S 1799379 TYBBOBJQIAPFRA-FMIVXFBMSA-N 336.438 2.928 10 50 EFCA COC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 4029267 TVOLYGLBSCWAPW-SNVBAGLBSA-N 328.320 2.895 10 50 EFCA biogenic Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3C)C2=O)c1 6886682 GHVQTLFJGZGHMU-PTNGSMBKSA-N 335.363 2.882 10 50 EFCA CCOC(=O)N1CCN(Cc2cc(-c3ccccn3)ccc2O)CC1 299793000 HMUSOGVOHQCPMP-UHFFFAOYSA-N 341.411 2.728 10 50 EFCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccsc3)C2=O)cc1 4704224 KJJAPAGOCKTXCV-ZROIWOOFSA-N 326.377 2.977 10 50 EFCA CCN(CC)c1ccc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc1 1408196 SBVDDFOGEUQPRR-QGZVFWFLSA-N 334.427 2.979 10 50 EFCA CC[C@@H](NCc1ccnc(N2CCN(C)CC2)c1)c1ccccc1O 155181434 AKBDEFGRLAKOOP-GOSISDBHSA-N 340.471 2.780 10 50 EFCA CC(C)=C1SC(N2CCN(c3ccccc3[N+](=O)[O-])CC2)=NC1=O 4191504 JSWZPDYPSCDWFN-UHFFFAOYSA-N 346.412 2.640 10 50 EFCA Cc1c(C)c2cc(Cl)c(O)c(CN3CCN(C)CC3)c2oc1=O 20266993 JUJFKRVAWMOIQY-UHFFFAOYSA-N 336.819 2.516 10 50 EFCA COc1ccc(O)c([C@H](C)NC(=O)c2cc(=O)c3ccccc3[nH]2)c1 761981577 HNIFDLMPZFNUFY-NSHDSACASA-N 338.363 2.733 10 50 EFCA COc1ccc(N2CCN(C(=O)c3ccccc3OC)CC2)cc1 532557 VNSKVKSZUHRVEY-UHFFFAOYSA-N 326.396 2.666 10 50 EFCA CC[C@H](C)N1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)NC1=S 316119 GIMVWDZKPLKMMM-XNFYSYIQSA-N 327.409 2.593 10 50 EFCA COc1cccc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1O 12382046 JDTPDRUOPGXCLA-XQVAPKGHSA-N 344.396 2.676 10 50 EFCA COc1ccc(N2CCN(C(=O)c3sc(C)nc3C)CC2)cc1 16576571 UOFKCSQXCODYRU-UHFFFAOYSA-N 331.441 2.731 10 50 EFCA COc1ccc(N2CCN(C(=O)Cc3ccccc3OC)CC2)cc1 6714421 IBOIQRABLKZYQJ-UHFFFAOYSA-N 340.423 2.595 10 50 EFCA CN1CCc2cc(CNC[C@@H]3CCN(C)[C@H]3c3cccnc3)ccc21 328633448 MANIVOKFAVEVEN-FPOVZHCZSA-N 336.483 2.857 10 50 EFCA COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 454316 NWYKELXDOFRNIE-RAXLEYEMSA-N 340.310 2.501 10 50 EFCA CCOC(=O)[C@H]1N(c2ccc(OC)cc2)CC[C@]1(O)c1ccccc1 601200740 MQTBGFUJFJGVMF-QUCCMNQESA-N 341.407 2.725 10 50 EFCA CC(C)CCN1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO 104406156 RXRGQVIQGJANOT-QGZVFWFLSA-N 340.895 2.960 10 50 EFCA CN1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@H]1c1ccc(Cl)cc1 253370082 LSYOXLAYZMJQKP-RHSMWYFYSA-N 346.814 2.926 10 50 EFCA CS(=O)(=O)C1(C(=O)NCc2c(O)ccc3ccccc23)CCCC1 952995636 SJDBCHYEFWZTNK-UHFFFAOYSA-N 347.436 2.519 10 50 EFCA COc1ccc(N2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1 55543799 HYORXANMYBYMDO-UHFFFAOYSA-N 339.439 2.976 10 50 EFCA Cc1ccnc2c(=NCc3ccc(N4CCN(C)CC4)cc3)cc[nH]c12 2325872030 FNXPNABGYMQIOR-UHFFFAOYSA-N 347.466 2.724 10 50 EFCA O=C1N=C(O)/C(=C\c2ccco2)C(=O)N1c1ccc([N+](=O)[O-])cc1 4819782 WMBQPAVLDXHRBM-XYOKQWHBSA-N 327.252 2.695 10 50 EFCA COc1cccc(O)c1CN1CCN(Cc2cccc(F)c2)CC1 63855712 VTDIKTTYEVITIG-UHFFFAOYSA-N 330.403 2.858 10 50 EFCA CC(C)[C@H](C)NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 241775889 RPYNJRYURCJDMH-DOTOQJQBSA-N 334.460 2.534 10 50 EFCA COc1ccc(O)c(CNC(=O)C[C@@H]2CC(=O)Nc3ccccc32)c1 934942037 IDXRVVQOXPADKS-GFCCVEGCSA-N 340.379 2.533 10 50 EFCA CN(C)c1ccc(CNC(=O)N2CCC[C@H](n3cccn3)C2)cc1F 2325703936 YSLUUQIWZNGKAV-HNNXBMFYSA-N 345.422 2.635 10 50 EFCA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2O)NC(=O)N1 4269763 WBMFGBGMUKHVTO-QGZVFWFLSA-N 338.363 2.764 10 50 EFCA Nc1ccc(Oc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 312730 SBDXNGGPJMILGR-HNNXBMFYSA-N 338.363 2.836 10 50 EFCA CCN(CC)c1ccc(/C=C2\SC(=S)NC2=O)cc1[N+](=O)[O-] 4797571 PUXHYWAGXXEBMB-WQLSENKSSA-N 337.426 2.930 10 50 EFCA COc1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 55561946 RHOSLJZDXFCRTF-UHFFFAOYSA-N 343.402 2.595 10 50 EFCA COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 15659258 QGMHGXKUPAOJJV-WJDWOHSUSA-N 336.347 2.670 10 50 EFCA NC(=O)C1CCN(C2=NC(=O)/C(=C/c3cccc(Cl)c3)S2)CC1 1164573 GOMAJQOKCURGFK-LCYFTJDESA-N 349.843 2.508 10 50 EFCA CC(=O)[C@@H]1CCc2c(O)c3c(c(O)c2C1)C(=O)c1ccccc1C3=O 100662766 HIIVCLZCYLLSFS-SNVBAGLBSA-N 336.343 2.567 10 50 EFCA in-vitro Cc1cc2c(n1-c1ccc(S(N)(=O)=O)cc1)CC(C)(C)CC2=O 8845933 MWDLTSOUVVYKSS-UHFFFAOYSA-N 332.425 2.588 10 50 EFCA COc1ccc(O)c([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 187842 AIUHVHYSEJBVRF-MAUKXSAKSA-N 338.363 2.570 10 50 EFCA CCCO[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)C(C)(C)C1 95366660 JMDHYWSBMRXSPG-HNNXBMFYSA-N 334.460 2.938 10 50 EFCA COc1ccc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 55543616 FDDSJEWIHPNFPZ-UHFFFAOYSA-N 327.384 2.926 10 50 EFCA CCOC(=O)C1=C(C)N=C(SC)N[C@@H]1c1ccc(N(C)C)cc1 758775 BRMLGFHUJIEPJR-OAHLLOKOSA-N 333.457 2.953 10 50 EFCA OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CCN1C1CCCC1 20599286 DVKDKYCNYAVQLI-KRWDZBQOSA-N 338.879 2.857 10 50 EFCA Cc1c(O)c(CN2CCN(C)CC2)cc2c1oc(=O)c1ccccc12 406881 LVVZSANZIHBBRG-UHFFFAOYSA-N 338.407 2.708 10 50 EFCA Cc1onc(-c2cccnc2)c1C(=O)N1C[C@@H](C)Oc2ncccc21 367398768 BDKMRZHIRWERRW-LLVKDONJSA-N 336.351 2.868 10 50 EFCA OC1CCN(c2ccc(CN[C@H]3CCC34CCOCC4)cc2F)CC1 367065001 GPSLNCKXCMTYSB-IBGZPJMESA-N 348.462 2.836 10 50 EFCA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1Cl 2865966 RVFVLNWIWAOPHI-UHFFFAOYSA-N 341.772 2.878 10 50 EFCA COC(=O)/C=C/c1ccc(N2CCCO[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 253390314 CJTPZBBMOCBMGT-FUZMGVLZSA-N 346.383 2.929 10 50 EFCA COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2 5022298 OQGVFRQCGIFXFF-UWVGGRQHSA-N 349.408 2.629 10 50 EFCA FC(F)(F)Cn1c(-c2ccccc2)cnc1SCc1nn[nH]n1 751558244 QWUVXZXPTFTVES-UHFFFAOYSA-N 340.334 2.918 10 50 EFCA CCCCCCN/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 19595316 XAEDPGYAJYOPOZ-KAMYIIQDSA-N 349.818 2.977 10 50 EFCA CCS[C@H](C)c1noc(CN(C)C(=O)c2cccc(O)c2O)n1 408515126 RKWDIULAUQOVQV-SECBINFHSA-N 337.401 2.567 10 50 EFCA Cc1c(CN[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)n(C)c2ccccc12 1875399396 BBTVLMOJYYJLAN-XAUMDUMWSA-N 338.455 2.613 10 50 EFCA COc1ccc(N2CCN(CC(=O)c3ccc(F)cc3)CC2)cc1 34849573 XKDGUUFJDBKFTQ-UHFFFAOYSA-N 328.387 2.839 10 50 EFCA COc1ccc(N2CCOCC2)c(NC(=O)Cc2ccccc2)c1 6715968 ARVRLGPWRHVACY-UHFFFAOYSA-N 326.396 2.713 10 50 EFCA COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(F)cc1 462792 JFUDFOKAYQMFMD-HEUOVEHFSA-N 345.370 2.677 10 50 EFCA Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1 366897 LQOGSLQLACDVCQ-UHFFFAOYSA-N 341.392 2.868 10 50 EFCA O=C(NC1CCN(Cc2ccsc2)CC1)c1cccc(O)c1O 225733291 HCHADTPDBDZKCP-UHFFFAOYSA-N 332.425 2.554 10 50 EFCA COc1ccc(O)c([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[nH]2)c1 761981574 HNIFDLMPZFNUFY-LLVKDONJSA-N 338.363 2.733 10 50 EFCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 277493 SMXWVAPRVGSXKM-DHDCSXOGSA-N 344.367 2.923 10 50 EFCA O=C(O)C[C@@H]1CCCN(Cc2ccc(Br)cc2O)C1 691420749 AWUOYHNYQDUPCB-JTQLQIEISA-N 328.206 2.841 10 50 EFCA COc1cccc(O)c1CN1CCN(C2CCCCC2)[C@@H](CCO)C1 23130554 VIQNCOFUJLZDGR-KRWDZBQOSA-N 348.487 2.602 10 50 EFCA O=C(O)CN1C(=O)/C(=C\c2ccccc2C(F)(F)F)SC1=S 2121677 QDMPMNLJZSLXLI-WEVVVXLNSA-N 347.339 2.991 10 50 EFCA CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(O)cc1O)C2=O 19323927 PZQABICTUCSTHG-UHFFFAOYSA-N 344.455 2.883 10 50 EFCA biogenic C[C@H](NC(=O)c1c[nH]c2c(F)cccc2c1=O)c1ccccc1O 97492467 XWKADFLSKOJLEZ-JTQLQIEISA-N 326.327 2.864 10 50 EFCA COc1ccc(N2CCC(N[C@H](C)Cc3cc(C)[nH]n3)CC2)cc1 67739703 OCVNFOSQLGLUGP-CQSZACIVSA-N 328.460 2.916 10 50 EFCA Nc1ccc(CC(=O)N2CCC(Sc3ccccn3)CC2)cc1 170678028 BXHYEZQPFZIYDW-UHFFFAOYSA-N 327.453 2.990 10 50 EFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2O)SC1=S 2820967 QCZXCYPLOQQSTI-SEVUFMINSA-N 337.422 2.703 10 50 EFCA c1ccc(-c2cnc(SCc3nnn[nH]3)n2C[C@@H]2CCCO2)cc1 299351376 MVGAZPAJRJYTTA-ZDUSSCGKSA-N 342.428 2.535 10 50 EFCA COc1ccc(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 55543269 LBOQZHOBZIYQFN-UHFFFAOYSA-N 327.384 2.926 10 50 EFCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)c1 62750 IISYXYQAEVGIIX-SFQUDFHCSA-N 349.390 2.727 10 50 EFCA O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 17197732 CVKZWFIPOAILBO-UHFFFAOYSA-N 343.320 2.609 10 50 EFCA COc1ccc(N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 318922 KUGHFIIEXZLHNC-UHFFFAOYSA-N 326.396 2.666 10 50 EFCA COc1ccc([C@@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3C)cc1 136345590 KNBJGGAZDRQYCX-VHWLVUOQSA-N 336.351 2.670 10 50 EFCA O=C(O)CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 966975 IZMJTWCXUUYGLB-FLIBITNWSA-N 325.386 2.892 10 50 EFCA CN1CCN(Cc2c(O)ccc3occ(C(=O)c4ccco4)c23)CC1 217993493 QQPLDSCLNSASEL-UHFFFAOYSA-N 340.379 2.710 10 50 EFCA biogenic CCC1=NN2C(=N)/C(=C/c3ccc(OC)c(OC)c3)C(=O)N=C2S1 4856797 IQHSYOWIAIWXJV-YNRPYRRHSA-N 344.396 2.733 10 50 EFCA NC(=O)[C@H]1CC=CC[C@@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 1615699589 MPIMTYQTTXYYEF-PMACEKPBSA-N 339.483 2.554 10 50 EFCA CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(C)C2=O)c1O 16671473 RGCITLDCUZLGJV-YHYXMXQVSA-N 340.382 2.530 10 50 EFCA COc1ccc(N(CC(=O)O)CC(=O)NCCC2=CCCCC2)cc1 34926470 FQFPUHLFDDIRQB-UHFFFAOYSA-N 346.427 2.593 10 50 EFCA C[C@@H](CNCc1cc(Cl)cc(Cl)c1O)N1CCOC[C@@H]1C 112377951 QDJYVNCVIPWIOM-QWRGUYRKSA-N 333.259 2.898 10 50 EFCA Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cccc(C)c2O)cc1 154874405 NIKGMHOFVCKZQL-OAHLLOKOSA-N 333.453 2.961 10 50 EFCA C[C@H]1CCCN(c2ccc(CNC(=O)CCc3ccnn3C)cc2)C1 216193127 QTYWCMJBGKPEHR-INIZCTEOSA-N 340.471 2.905 10 50 EFCA Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)s1 13546492 WFPXHTSKELTGHL-MDWZMJQESA-N 330.340 2.862 10 50 EFCA CC(=O)N1c2cc(CN3CCOCC3)c(O)cc2[C@@H](C)CC1(C)C 253495403 CLDZFILPNCZUKG-ZDUSSCGKSA-N 332.444 2.863 10 50 EFCA CN1C(=O)C(=CNc2ccccc2-c2ccccc2)C(=O)N(C)C1=O 3771406 HKNNGYRJQOZCKQ-UHFFFAOYSA-N 335.363 2.700 10 50 EFCA COc1ccc(N2CCN([C@H]3CCCN(CC4CC4)C3)CC2)cc1 22914443 UCTLLBXNFPYFNI-IBGZPJMESA-N 329.488 2.692 10 50 EFCA COc1ccc(N2CCC(N3CCO[C@H](C(F)(F)F)C3)CC2)cc1 71752012 VINQWZPHCWAEGU-INIZCTEOSA-N 344.377 2.927 10 50 EFCA CC(=O)N1C(=O)/C(=C2\C=C(c3ccccc3)OC2=O)c2ccccc21 2753525 PBEBZDLIPRZVKK-OBGWFSINSA-N 331.327 2.931 10 50 EFCA CCN(CC)c1ccc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc1 1408195 SBVDDFOGEUQPRR-KRWDZBQOSA-N 334.427 2.979 10 50 EFCA Cc1cccc(N/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 2892827 ZTLDTGVWYVVYPP-WJDWOHSUSA-N 335.363 2.882 10 50 EFCA O=C1N=C(O)/C(=C/c2c[nH]c3ccccc23)C(=O)N1C[C@H]1CCCO1 453183 IMJCKBGLICSZHH-UGMNDJHYSA-N 339.351 2.649 10 50 EFCA O=C1OC(c2ccccc2)=N/C1=C/c1ccc(N2CCOCC2)cc1 5572042 AAKUTYZDGWMSBY-NBVRZTHBSA-N 334.375 2.868 10 50 EFCA COc1ccccc1OCC(=O)NCc1ccc(N2CCCC2)cc1 10113485 PFEMHDNZUYVRIU-UHFFFAOYSA-N 340.423 2.991 10 50 EFCA COc1cccc(CN2CCC[C@H](C(=O)c3ccccn3)C2)c1O 65408256 WJNDQCQPCJEAAM-AWEZNQCLSA-N 326.396 2.891 10 50 EFCA O=[N+]([O-])c1ccc(N2CCOCC2)cc1OCCOc1ccccc1 3880403 LVMPLEZBMMXDOP-UHFFFAOYSA-N 344.367 2.889 10 50 EFCA COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 85071 NOLWBILJPHINMD-ZROIWOOFSA-N 330.340 2.676 10 50 EFCA CC(=O)N[C@H]1Cc2ccccc2N(Cc2c[nH]nc2-c2cccnc2)C1 378560862 GQFCLXHXIHYQPH-SFHVURJKSA-N 347.422 2.539 10 50 EFCA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(N2CCOCC2)cc1 833181825 LQELCANYRJWPQL-WDSOQIARSA-N 344.455 2.741 10 50 EFCA O=C1c2ccccc2-c2nnc(N3CCC(Cc4cnc[nH]4)CC3)cc21 1875305194 LWDPWAZZAVZIHU-UHFFFAOYSA-N 345.406 2.870 10 50 EFCA CC(=O)N[C@@H](CC(C)C)C(=O)NCc1c(O)ccc2ccccc12 1179033199 UWDHBRKFHXARJJ-KRWDZBQOSA-N 328.412 2.712 10 50 EFCA COc1cc(/C=C2\SC(N3CCCC3)=NC2=O)cc(OC)c1OC 13634258 BPAAVQUXYUXMDX-UVTDQMKNSA-N 348.424 2.779 10 50 EFCA CCOc1ccc(Br)cc1/C=C1\NC(=S)N(C)C1=O 15010700 GIRGKBQRZFGOAW-YFHOEESVSA-N 341.230 2.535 10 50 EFCA Cc1cc(C(=O)NCCSc2nc[nH]n2)c(C)n1-c1ccccc1 828145202 MDCPVTVSYIQKER-UHFFFAOYSA-N 341.440 2.734 10 50 EFCA O=[N+]([O-])c1ccc(O)c(CN2CCN(c3ccccc3F)CC2)c1 4980977 GTQDSMATJQPZKP-UHFFFAOYSA-N 331.347 2.762 10 50 EFCA COc1ccc(O)c([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 187847 AIUHVHYSEJBVRF-QAPCUYQASA-N 338.363 2.570 10 50 EFCA O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccncc1 1449335 MSDKZEQZFTXKHY-DHZHZOJOSA-N 347.446 2.689 10 50 EFCA O=S(=O)(Cc1ccccc1)NCc1ccc(N2CCCC2)cc1 13673669 FPXWSSJJANWQBK-UHFFFAOYSA-N 330.453 2.906 10 50 EFCA Cc1cc(/C=C2\NC(=O)NC2=S)c(C)n1-c1ccc([N+](=O)[O-])cc1 13799709 OMLRLVFEZMDUPO-ZSOIEALJSA-N 342.380 2.983 10 50 EFCA CC[C@H](NCc1cccnc1N1CCOCC1)c1ccccc1O 170599625 PDZGBZPOZDNHLT-KRWDZBQOSA-N 327.428 2.865 10 50 EFCA CC(C)(O)CCc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 72412146 PXHXRQYFSBGRLB-UHFFFAOYSA-N 329.396 2.731 10 50 EFCA COc1ccc(CN2CCCC[C@@H]2c2ccnn2C)c(O)c1OC 1334268637 ALOREUMRBWLUGS-OAHLLOKOSA-N 331.416 2.870 10 50 EFCA COc1ccc(N2CCN(S(=O)(=O)c3cccc(C)c3)CC2)cc1 387128 YLESHYVQEVTISV-UHFFFAOYSA-N 346.452 2.515 10 50 EFCA CCN(CC)c1ccc(CN[C@H](Cn2cncn2)C2CC2)cc1F 225408168 STGLARLDCOSZAY-QGZVFWFLSA-N 331.439 2.832 10 50 EFCA Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 179614 YAQFLHYLHKCYKB-JYRVWZFOSA-N 330.727 2.908 10 50 EFCA CC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 114145 QUHHPTFFTXDUAA-UHFFFAOYSA-N 333.394 2.695 10 50 EFCA O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C/c1ccc[nH]1 1254638 NYCYLRVBBAXXJW-SDNWHVSQSA-N 329.425 2.943 10 50 EFCA Cc1cccc(O)c1CNc1ccc(C(=O)N2CCOCC2)c(F)c1 888095102 IRPWCSLGAHBDJR-UHFFFAOYSA-N 344.386 2.924 10 50 EFCA C[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4ncccn4n3)cc2)C1 97447058 VZFGAPNBSGLSTD-OAHLLOKOSA-N 349.438 2.896 10 50 EFCA CC1(C)OC(=O)C(=CNc2ccccc2Br)C(=O)O1 10121486 CZIDPABFUHRFGR-UHFFFAOYSA-N 326.146 2.581 10 50 EFCA in-vitro COc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 103751 GULVJNCDTBRYTP-WWISCJFESA-N 332.425 2.775 10 50 EFCA CN1C(=O)NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 5061512 GGSPVYFMLPFWTL-WQLSENKSSA-N 330.727 2.692 10 50 EFCA CCC(=O)Oc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1 210787 AMRKABIVIAIRKR-UHFFFAOYSA-N 329.308 2.658 10 50 EFCA biogenic COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 13649191 GSGVMFBYGDQNJE-UHFFFAOYSA-N 346.452 2.774 10 50 EFCA O=C1c2ccccc2C(=O)C1(CO)c1ccc(Br)cc1 22017884 CWLVAKDSHOSRJF-UHFFFAOYSA-N 331.165 2.758 10 50 EFCA C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCSc1nccs1 242339142 ZFGPSMCPEBWNGJ-QWHCGFSZSA-N 342.534 2.607 10 50 EFCA O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1c[nH]c2ccccc12 4270111 GKJXQRXAJNPUKI-MHWRWJLKSA-N 345.358 2.830 10 50 EFCA COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(F)cc2)c1 6715978 PMEWYNAWANUXQU-UHFFFAOYSA-N 330.359 2.923 10 50 EFCA CCOC(=O)c1coc(N2CCN(c3ccc(OC)cc3)C[C@@H]2C)n1 77525162 BFAKVWTYAWYTNQ-ZDUSSCGKSA-N 345.399 2.575 10 50 EFCA N=c1c2c(=O)oc3ccccc3c2ccn1CCc1ccc(O)c(O)c1 1848442699 GGSFTZIQZVPEON-UHFFFAOYSA-N 348.358 2.881 10 50 EFCA COCCN1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S 2960261 XELLQMZDHNNRCV-LCYFTJDESA-N 339.438 2.551 10 50 EFCA COc1ccc(N2CCN(C(=O)Cn3ccc4ccccc43)CC2)cc1 32070479 WBPSBRDEMRHIEF-UHFFFAOYSA-N 349.434 2.999 10 50 EFCA CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(=O)O)cc1 16512747 YBFMROQDOOIUOY-VBKFSLOCSA-N 335.363 2.623 10 50 EFCA COc1ccc(N2CCN(Cc3ncc(C(F)(F)F)[nH]3)CC2)cc1 1137010527 VEHAYOUUACCKMJ-UHFFFAOYSA-N 340.349 2.759 10 50 EFCA C[C@H](C(=O)Nc1ccc(O)c(CN2CCOCC2)c1)c1ccccc1 252571072 XQFTVWZPNVXQMT-HNNXBMFYSA-N 340.423 2.967 10 50 EFCA Cc1nnc([C@H]2C[C@@H](O)CN2Cc2ccc(N3CCCCC3)cc2)o1 1775959396 ZJEPPQVEWZWOQK-QZTJIDSGSA-N 342.443 2.676 10 50 EFCA O=C1N=C(NC2CCCC2)S/C1=C/c1ccc(O)c([N+](=O)[O-])c1 208251237 DNBMEMVAPBSYKL-MDWZMJQESA-N 333.369 2.803 10 50 EFCA O=C1c2cccc(N3CCOCC3)c2C(=O)c2cccc(Cl)c21 4140696 FYEIISBXUVORPE-UHFFFAOYSA-N 327.767 2.952 10 50 EFCA CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1C 78708 JKWJJJPFDNIHAX-INIZCTEOSA-N 331.416 2.674 10 50 EFCA Cc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)o1 1803628 YAQFUYCVNCGFPK-RUYJGKKWSA-N 325.411 2.898 10 50 EFCA CC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc([N+](=O)[O-])ccc1O 22780512 TYIQOVNMKOQECY-BHYGNILZSA-N 334.372 2.515 10 50 EFCA CCn1c(/C=C2/C(=O)N(C)c3ccccc32)nc2ccccc2c1=O 32617993 SOBQACHTACGHKY-NTCAYCPXSA-N 331.375 2.933 10 50 EFCA COc1ccc(N2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)cc1 2088706 KXNWZNFQSFOVTP-HNNXBMFYSA-N 343.254 2.928 10 50 EFCA O=C(NCc1ccccn1)c1nc(-c2ccc(-n3cccc3)cc2)no1 4623075 SEWAHFYKUKKXCC-UHFFFAOYSA-N 345.362 2.852 10 50 EFCA O=S(=O)(Nc1ccc(F)cc1F)c1cccc2nsnc12 470385 LJTLKFZBKDUAPJ-UHFFFAOYSA-N 327.337 2.770 10 50 EFCA O=C(CSc1cccs1)NC1=NN(c2ccccc2)C(=O)C1 4619618 WZMQHYMEATTXCW-UHFFFAOYSA-N 331.422 2.707 10 50 EFCA CCN(CC)CCNCc1cc(-c2nc(C)cnc2C)ccc1O 299765763 CRRQAXYGQPNEOM-UHFFFAOYSA-N 328.460 2.897 10 50 EFCA COc1ccc(CN2C(=O)N=C(O)/C(=C\c3ccc[nH]3)C2=O)cc1 17730670 RRLHRKUMLPTXEJ-NTEUORMPSA-N 325.324 2.526 10 50 EFCA CCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)C[C@@H]2C)[nH]1 218399190 QXSGQCPIZNOXJO-AWEZNQCLSA-N 327.428 2.937 10 50 EFCA CC(C)c1nc(CNC2CCN(c3ccc4c(c3)OCO4)CC2)no1 822284999 FBHKLRJCNKCDLT-UHFFFAOYSA-N 344.415 2.680 10 50 EFCA O=C1NN=C(C(F)(F)F)C1=CNc1ccc(OC(F)(F)F)cc1 2040739586 ZAFHRCQWMCABCB-UHFFFAOYSA-N 339.195 2.929 10 50 EFCA Cc1cccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 100364120 PYUSZIKCGINRMK-PTNGSMBKSA-N 335.363 2.882 10 50 EFCA COc1cccc(N2C(=O)NC(=O)/C(=C/C=C/c3ccccc3)C2=O)c1 15659278 XHQBQNAXXPIGGT-HGQQOXHYSA-N 348.358 2.918 10 50 EFCA CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 4845978 BBZIRHNYGULORJ-IWQAVIMZSA-N 348.424 2.741 10 50 EFCA CCc1cc(N2CCN(c3ccc(OC)cc3)CC2)n2nccc2n1 72412494 NHNLMRNKQDKWGN-UHFFFAOYSA-N 337.427 2.627 10 50 EFCA COc1ccc(O)c(CN2CCN(c3ccccc3OC)CC2)c1 55291864 UQWPKHKNOLPHON-UHFFFAOYSA-N 328.412 2.732 10 50 EFCA O=S(=O)(Nc1ccc(O)c(Br)c1)c1ccccc1 285142 PWPOHFCGLKSYCI-UHFFFAOYSA-N 328.187 2.956 10 50 EFCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccco1 228785 GDBUFRSAUBQKNZ-XYOKQWHBSA-N 332.768 2.764 10 50 EFCA C[C@@H](CNCc1cc(Cl)cc(Cl)c1O)N1CCOC[C@H]1C 112377949 QDJYVNCVIPWIOM-WDEREUQCSA-N 333.259 2.898 10 50 EFCA CCOc1ccc(CN[C@H](C)Cc2cnccn2)cc1COC(C)=O 55244720 BIZXWRYEQZUQCB-CQSZACIVSA-N 343.427 2.659 10 50 EFCA Cc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 15012834 UASCJHRRNYFZNW-GDNBJRDFSA-N 340.379 2.965 10 50 EFCA Cc1cccc(N2C(=O)/C(=C/c3ccc(C)o3)C(=O)NC2=S)c1 441024 GULHNHJLZROLJJ-NTEUORMPSA-N 326.377 2.728 10 50 EFCA Cc1nc([C@H](C)NC2CCN(c3ccc4c(c3)CCC4)CC2)n[nH]1 822275546 OVSTUVSQCCZZLC-ZDUSSCGKSA-N 325.460 2.921 10 50 EFCA COc1ccc(O)c(CN2CCN(Cc3ccc(F)cc3)CC2)c1 19792265 SMMUOYGOTGJEFA-UHFFFAOYSA-N 330.403 2.858 10 50 EFCA Cc1c(C(=O)NCCCn2ccccc2=O)n(C)c2ccc(F)cc12 426618380 QOCUKQGBDUWGJW-UHFFFAOYSA-N 341.386 2.608 10 50 EFCA COc1ccc(N2CCN(C(=O)[C@H](C)N3CCCC3)CC2(C)C)cc1 91725768 OAKFWXPZJFABTH-INIZCTEOSA-N 345.487 2.607 10 50 EFCA CN1/C(=C2/SC(=S)N(N)C2=O)Sc2ccc(Cl)cc21 33286146 AWCRBBPZWVSPMU-NTMALXAHSA-N 329.859 2.785 10 50 EFCA CCOc1cccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1 1131665 ZUZFRRLHFNCQKQ-FMIVXFBMSA-N 337.422 2.761 10 50 EFCA CCc1ocnc1C(=O)N1CCN(c2ccc(OC)cc2)C(C)(C)C1 82083813 XPSDTQIKNPPAND-UHFFFAOYSA-N 343.427 2.987 10 50 EFCA CN(Cc1cccs1)c1ccc(CNC[C@](C)(O)CCO)cc1 1875299786 VUGUTWNLUQRLAO-GOSISDBHSA-N 334.485 2.608 10 50 EFCA O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccsc1 450784 ZFEOMENYUCCBKQ-JXMROGBWSA-N 332.381 2.719 10 50 EFCA CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(Cc2ccco2)C1 55074646 YVWAOAFGSFNGEB-MRXNPFEDSA-N 328.412 2.856 10 50 EFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 314031 KTXKUPYWXHVWAW-RVDMUPIBSA-N 336.347 2.670 10 50 EFCA CCn1cnnc1CCNC1CCN(c2ccc3c(c2)CCC3)CC1 1506421514 ILXKSOFUNQMRIS-UHFFFAOYSA-N 339.487 2.588 10 50 EFCA COC(=O)Cc1cc(C2CCN(Cc3cc(C)ccc3O)CC2)n[nH]1 67588177 GPMRMBPMNXCAFV-UHFFFAOYSA-N 343.427 2.519 10 50 EFCA O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 17197571 OGSNVMZEXQIKCJ-UHFFFAOYSA-N 343.320 2.609 10 50 EFCA COc1cc([N+](=O)[O-])cc(CN2CCN(c3ccccc3)CC2)c1O 4639247 PZBWPTNFLDEZBD-UHFFFAOYSA-N 343.383 2.631 10 50 EFCA COc1cccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)c1O 20203759 PXLJPWLJBFSGLN-SFHVURJKSA-N 348.487 2.602 10 50 EFCA COc1ccc(N2CCN(c3nc(CO)cs3)CC2(C)C)cc1 96163856 FHTPZPKCTNDSHT-UHFFFAOYSA-N 333.457 2.749 10 50 EFCA CCOc1ccccc1/C=C1/SC(=S)N(CCC(=O)O)C1=O 967006 QVFVUVSYXYZIFQ-FMIVXFBMSA-N 337.422 2.761 10 50 EFCA O=S(=O)(Nc1cccc2cccnc12)c1cccc2nonc12 414676 NBUOKBCSWUSEGP-UHFFFAOYSA-N 326.337 2.572 10 50 EFCA Oc1ccc(Nc2ncc3ccccc3n2)cc1CN1CCOCC1 1875310552 UIIZBMRWURIZOG-UHFFFAOYSA-N 336.395 2.911 10 50 EFCA Cc1c(CN[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)n(C)c2ccccc12 1875399395 BBTVLMOJYYJLAN-WRWLIDTKSA-N 338.455 2.613 10 50 EFCA CN(C)c1ccc(CNC(=O)N2CCC[C@@H](n3cccn3)C2)cc1F 2325703937 YSLUUQIWZNGKAV-OAHLLOKOSA-N 345.422 2.635 10 50 EFCA CCc1noc(C)c1C(=O)N1CCN(c2ccc(OC)cc2)CC1 8138868 PPYLPKNJUZKNBI-UHFFFAOYSA-N 329.400 2.516 10 50 EFCA CC(C)(C)OC(=O)NCCCOCCOCCOCCCN=[N+]=[N-] 108644260 CGRCYOIWGOKGND-UHFFFAOYSA-N 346.428 2.651 10 50 EFCA Cc1ccc(C(=O)NCc2ccc(N3CCNCC3)c(F)c2)s1 170676653 FKJJEMCZDZWETQ-UHFFFAOYSA-N 333.432 2.535 10 50 EFCA CC[C@](O)(C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Cl)c1 225735626 CSDXHQPHZGWUEC-GOSISDBHSA-N 349.814 2.708 10 50 EFCA CCOc1cccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1O 20455145 ZVZOLDDUINORCW-SFHVURJKSA-N 348.487 2.602 10 50 EFCA COC(=O)/C=C/c1ccc(N2CCCO[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 230213379 CJTPZBBMOCBMGT-KYZJMWGYSA-N 346.383 2.929 10 50 EFCA CCc1cc(N2CCC[C@H](NCc3cccc(F)c3O)C2)ncn1 1875284697 HOEPUCNKTMPUPX-HNNXBMFYSA-N 330.407 2.642 10 50 EFCA COc1ccc(CNC(=O)[C@@H]2CSc3ccccc3O2)c(O)c1 225447349 XPRLGQDBGWAGCJ-HNNXBMFYSA-N 331.393 2.570 10 50 EFCA C[C@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 54285042 FPOZYXUHNKGTMN-INIZCTEOSA-N 340.423 2.607 10 50 EFCA Cc1ccccc1CN1CCN(Cc2ccccc2O)C[C@@H]1CCO 23372930 QLYGOKGNSGMFMW-FQEVSTJZSA-N 340.467 2.769 10 50 EFCA CN1CCCc2cc(CNC(=O)Cc3cccc(O)c3F)ccc21 170597064 KQNPPMUBNQJETK-UHFFFAOYSA-N 328.387 2.773 10 50 EFCA O=C(NCc1cccc(Cl)c1O)N[C@H]1CCN(c2ccccn2)C1 1343037331 BGUNGTWGELAJCS-ZDUSSCGKSA-N 346.818 2.519 10 50 EFCA COc1ccc(N2CCC(N[C@@H](C)Cc3cc(C)[nH]n3)CC2)cc1 67739704 OCVNFOSQLGLUGP-AWEZNQCLSA-N 328.460 2.916 10 50 EFCA COc1ccc(N2CC3(C2)CN(c2noc(C4CCC4)n2)C3)cc1 2356140518 LQZBVNUSNCSYTA-UHFFFAOYSA-N 326.400 2.672 10 50 EFCA COc1ccc(N2CCC(N(C)CCCn3cccn3)CC2)cc1 670437318 IWKLDTAWSIUECU-UHFFFAOYSA-N 328.460 2.883 10 50 EFCA COCc1cc(CNCc2ccc3nc(O)[nH]c3c2)ccc1OC 952974083 IUHXFZHGZIYTIR-UHFFFAOYSA-N 327.384 2.713 10 50 EFCA O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc[nH]1 5092108 FRHZGIUVBSUZBJ-WQLSENKSSA-N 349.268 2.700 10 50 EFCA CNC(=O)[C@H]1CCCCN1C1CCN(c2ccc3c(c2)CCC3)CC1 1506409367 WQVZQPWTJQTIIX-HXUWFJFHSA-N 341.499 2.745 10 50 EFCA COc1ccc(CN[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@@H]3C(C)C)cc1C 922385422 BLSOBDHKRNZLDN-HNBVOPMISA-N 332.488 2.573 10 50 EFCA CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 4815491 LEEYAJUFUGAUQO-XYOKQWHBSA-N 339.438 2.934 10 50 EFCA Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1 72115890 AGNVTMCSFAHAQM-UHFFFAOYSA-N 337.467 2.985 10 50 EFCA COc1cc(C(=O)O)cc(OC)c1OCc1cc(C(=O)O)oc1C 5060609 KSQVYRZSGXKBCD-UHFFFAOYSA-N 336.296 2.581 10 50 EFCA O=C(O)CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1O 4502751 JQESZXXRSWCXCS-ZDUSSCGKSA-N 344.392 2.996 10 50 EFCA O=C(c1ccc(NCc2ccccc2O)cc1F)N1CCOCC1 1875270113 MHHNGGQSGVFIOC-UHFFFAOYSA-N 330.359 2.616 10 50 EFCA CNC[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 299738801 GRAWLHXSRUXGIU-HNNXBMFYSA-N 329.419 2.915 10 50 EFCA CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccccc1F 13402045 AROBDZHAVDSNCA-KAMYIIQDSA-N 333.359 2.535 10 50 EFCA CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCO 3899628 FYRBCYRKTUADBN-RVDMUPIBSA-N 344.440 2.655 10 50 EFCA CSc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1 64573237 KSTYQCAVXTVECG-UHFFFAOYSA-N 336.482 2.953 10 50 EFCA CCNC(=O)c1ccc2c(c1SC)C(=O)c1ccccc1C2=O 4581207 DAUVISWIGJSALQ-UHFFFAOYSA-N 325.389 2.934 10 50 EFCA O=C(CCc1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1 54284964 QWPNQYARQUUGMD-UHFFFAOYSA-N 342.414 2.911 10 50 EFCA CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 2059774 HOLCHLAHTMVSIU-LCFDYFRESA-N 337.422 2.760 10 50 EFCA COc1ccc(OC)c(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)c1 92222 KPDIXHITCDVIOJ-UHFFFAOYSA-N 334.368 2.950 10 50 EFCA Cc1cc(C(=O)C(=O)N2CCOCC2)c(C)n1-c1cccc(Cl)c1 36646420 BGYANADNMARANA-UHFFFAOYSA-N 346.814 2.789 10 50 EFCA CCCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCC2 4646350 VKYWOVJNFNNCHL-UHFFFAOYSA-N 325.386 2.607 10 50 EFCA COc1ccc(N2CCN(C(=O)c3snnc3C)CC2(C)C)cc1 82115571 BGTSFKVNWONXKW-UHFFFAOYSA-N 346.456 2.596 10 50 EFCA Cc1ccc(CN2CCN(Cc3ccccc3O)C[C@@H]2CCO)cc1 20541193 RDJXULXBRPKNQZ-FQEVSTJZSA-N 340.467 2.769 10 50 EFCA COc1ccc(N2CCN(C(=S)c3ccccc3O)CC2)cc1 1443324 WJGZZZKUJZOTGH-UHFFFAOYSA-N 328.437 2.899 10 50 EFCA CCCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)ccc12 19367636 KDKPNWODXFTQHZ-UHFFFAOYSA-N 330.428 2.589 10 50 EFCA biogenic CC[C@H](N[C@H](C)C[S@](C)=O)c1cc(Br)ccc1O 119174685 BSYXDILSKIPLNI-RJVCPDIVSA-N 334.279 2.962 10 50 EFCA Cc1cccc(O)c1CNc1ccc(C(=O)N2CCC(O)CC2)cc1 952883838 RTRUGBYYUWGFLT-UHFFFAOYSA-N 340.423 2.910 10 50 EFCA CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 4845977 BBZIRHNYGULORJ-ZTMOJVSCSA-N 348.424 2.741 10 50 EFCA C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 65277702 JYUJSDBJYBBGHO-OAHLLOKOSA-N 346.452 2.563 10 50 EFCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1C 444175 UNXBRDNKOVADPS-MHWRWJLKSA-N 336.347 2.675 10 50 EFCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccco1 432716 OGXIMLCYHKUXSN-XYOKQWHBSA-N 332.768 2.764 10 50 EFCA Cn1cccc1/C=C1/C(=O)N(c2ccc(F)cc2)C(=S)N=C1O 308575 UMLPCBOAIJQWCT-UKTHLTGXSA-N 329.356 2.836 10 50 EFCA O=C(NN1C(=O)/C(=C\c2ccccc2)SC1=S)c1ccncc1 1090146 PJEQQFYYSRRNJI-JLHYYAGUSA-N 341.417 2.628 10 50 EFCA O=C1N/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1 472728 WMPGPHGEYQDRED-NBVRZTHBSA-N 349.390 2.621 10 50 EFCA CCOC(=O)[C@H]1CCCN(Cc2cc(-c3ncccn3)ccc2O)C1 20819092 AOLZHVMBPGHCSF-HNNXBMFYSA-N 341.411 2.624 10 50 EFCA CCc1ccccc1N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 4075400 BQGYONAFKIDXNL-QINSGFPZSA-N 335.363 2.828 10 50 EFCA CCOCc1cc(CN[C@H]2CCO[C@@H]2c2cc[nH]n2)ccc1OC 888077110 KKAPFXRHTYONDE-YJBOKZPZSA-N 331.416 2.575 10 50 EFCA O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN1Cc1ccc(F)cc1 158884527 ZXSGCWCPMSLORJ-MRXNPFEDSA-N 344.386 2.518 10 50 EFCA CC(C)CN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 1317835 QFXRHAVWNGABKK-SEYXRHQNSA-N 332.450 2.890 10 50 EFCA CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cncn2C)cc1 278539378 FFBNEERAOJAKBJ-UHFFFAOYSA-N 340.349 2.691 10 50 EFCA COc1cc(Br)c(O)c(/C=C2\SC(=S)NC2=O)c1 13563162 NEHKSLXTGXFCJD-BAQGIRSFSA-N 346.227 2.652 10 50 EFCA CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 16667344 IBXAHTBVZLSCMC-PTNGSMBKSA-N 338.363 2.555 10 50 EFCA COc1ccc(O)c(CNC(=O)C[C@H]2CC(=O)Nc3ccccc32)c1 934942039 IDXRVVQOXPADKS-LBPRGKRZSA-N 340.379 2.533 10 50 EFCA O=C(O)[C@@H](CNCc1ccc(N2CCCCC2)cc1)C1CCOCC1 863741639 JFOGYEPLOJIHQM-IBGZPJMESA-N 346.471 2.894 10 50 EFCA CCOc1ccc(/C=C2\SC(N)=NC2=O)cc1Br 5572940 SHGAXJIQUOFART-POHAHGRESA-N 327.203 2.777 10 50 EFCA COCCN1C(=O)/C(=C\c2ccc(SC)cc2)C(C(=O)OC)=C1C 2305293 IJHCWRHXGLOSAT-PTNGSMBKSA-N 347.436 2.728 10 50 EFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)c1 14010997 MOTZUNWKNYXVQX-LFIBNONCSA-N 336.347 2.670 10 50 EFCA O=C(O)[C@H](CNCc1ccc(N2CCCCC2)cc1)C1CCOCC1 863741640 JFOGYEPLOJIHQM-LJQANCHMSA-N 346.471 2.894 10 50 EFCA COC(=O)c1cccnc1N1CCN(c2ccc(OC)cc2)C[C@H]1C 77408331 FNLKUGCDABRPSR-CQSZACIVSA-N 341.411 2.592 10 50 EFCA COCCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 2167243 JCNVVJIZEDHRED-KAMYIIQDSA-N 336.482 2.990 10 50 EFCA CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCCOC 100163488 CAMPPCCFYGLNJZ-VAWYXSNFSA-N 344.440 2.919 10 50 EFCA O=C(COc1ccc(Cl)cc1)NC1=NN(c2ccccc2)C(=O)C1 83147 PGDNEGOKYGPPPU-UHFFFAOYSA-N 343.770 2.585 10 50 EFCA aggregator COc1ccc(N2CCN(C[C@@H](O)COC3CCCCC3)CC2)cc1 20682743 OXOGLPWPIZHARF-GOSISDBHSA-N 348.487 2.527 10 50 EFCA CC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc([N+](=O)[O-])ccc1O 584904299 TYIQOVNMKOQECY-DJIMGWMZSA-N 334.372 2.515 10 50 EFCA C[C@H](NC(=O)Cc1ccc(N)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 670455482 NZXKIOWGMDQITN-XAGROICKSA-N 328.456 2.647 10 50 EFCA CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S 2901583 WSPZDJRNGPJNSL-HQQGHWSLSA-N 337.422 2.847 10 50 EFCA Cc1[nH]c2ccccc2c1/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 13424487 RKRTVVMTDZGOLZ-DHDCSXOGSA-N 349.346 2.731 10 50 EFCA COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc1 133363 OSXAJPRWAJARBQ-INIZCTEOSA-N 340.423 2.811 10 50 EFCA COc1cccc(N2C(=O)/C(=C/c3cccn3C)C(O)=NC2=S)c1 1293578 XVTMRJHCBVHOCE-GXDHUFHOSA-N 341.392 2.705 10 50 EFCA O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2)c1 5090913 ZUIYNXNWLGPBLJ-UHFFFAOYSA-N 328.733 2.755 10 50 EFCA CC1(C)OC(=O)C(=C/C=C/c2ccc(Br)o2)C(=O)O1 187011 LSUIWRAVVDJNBY-ONEGZZNKSA-N 327.130 2.818 10 50 EFCA O=c1oc2c(CNC[C@H]3CCCO3)c(O)c(Cl)cc2c2c1CCC2 20403484 DCWNAROZAKDTEK-SNVBAGLBSA-N 349.814 2.909 10 50 EFCA C[C@H](C(=O)O)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 969840 HPDSJPINDQZMIO-VNUQYUTRSA-N 332.406 2.842 10 50 EFCA O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccccc1[N+](=O)[O-] 100802415 BFQVWULSJVWONZ-UHFFFAOYSA-N 332.312 2.651 10 50 EFCA COc1ccc(N2CCOCC2)c(NC(=O)c2cccc(F)c2)c1 6715962 XYFPBHXEJYLTBK-UHFFFAOYSA-N 330.359 2.923 10 50 EFCA CCCCN(CCCC)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 2895634 GWRFRJIUKAWRDC-UHFFFAOYSA-N 343.427 2.843 10 50 EFCA CCN1C(=O)/C(=C/c2cc(C)n(C3CCCC3)c2C)C(=O)NC1=S 465615 RKHBAVYPSYBACO-XNTDXEJSSA-N 345.468 2.867 10 50 EFCA COc1cccc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)c1 441032 MJOPIIPTDWNJNA-UKTHLTGXSA-N 344.417 2.588 10 50 EFCA C[C@@H]1CN(Cc2c(O)ccc3c4c(c(=O)oc23)CCC4)C[C@@H](C)O1 19790371 JBANBRGZVNVLOQ-VXGBXAGGSA-N 329.396 2.597 10 50 EFCA O=C(NN1C(=O)/C(=C\c2ccccn2)SC1=S)c1ccccc1 4834571 RCDYCLSAJKNVEM-JLHYYAGUSA-N 341.417 2.628 10 50 EFCA NC(=O)/N=N/c1ccc(C(=O)N2CCC([C@@H]3CCOC3)CC2)cc1 1875391462 ZDXHQGZCFOTTDO-ATQAJOFPSA-N 330.388 2.738 10 50 EFCA Cc1ccc(C)c(CC(=O)NCc2ccc(N3CCOCC3)cc2)c1 30758224 MBZOHLPIISMQPB-UHFFFAOYSA-N 338.451 2.999 10 50 EFCA COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](C(=O)O)C3)c2C)cc1 237505639 PZDXOLNXQQYUFL-CQSZACIVSA-N 342.395 2.649 10 50 EFCA Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c1 1857666434 IISYXYQAEVGIIX-UHFFFAOYSA-N 349.390 2.727 10 50 EFCA Cc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 17086520 OTEMPXXKZPTOOB-PTNGSMBKSA-N 335.363 2.882 10 50 EFCA CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(C)cc1 14010499 KOKZXIDYOAQKJV-VBKFSLOCSA-N 329.396 2.704 10 50 EFCA Cc1nc([C@@H](C)NC2CCN(c3ccc4c(c3)CCC4)CC2)n[nH]1 822275545 OVSTUVSQCCZZLC-CYBMUJFWSA-N 325.460 2.921 10 50 EFCA O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CN1CCCC1 334163597 YOIFFXOQOCDTCR-ZSOIEALJSA-N 348.449 2.670 10 50 EFCA CNC(=O)[C@@H]1CCCCN1C1CCN(c2ccc3c(c2)CCC3)CC1 1506409366 WQVZQPWTJQTIIX-FQEVSTJZSA-N 341.499 2.745 10 50 EFCA Cn1ccnc1[C@H](NCc1ccc2c(c1)CCO2)C1CCOCC1 284415219 DJYXLNVGVBCBED-GOSISDBHSA-N 327.428 2.613 10 50 EFCA CN(C)c1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 55543681 OTKZCANGKCKQOH-UHFFFAOYSA-N 340.427 2.983 10 50 EFCA Cc1ccc(N2NC(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1Cl 306788 CAGIHCCVYCFTJS-RIYZIHGNSA-N 328.755 2.815 10 50 EFCA COc1ccc(N2CCN(C(=O)c3cc(F)ccc3F)CC2)cc1 16648421 AGMJTIRLRDFNMN-UHFFFAOYSA-N 332.350 2.936 10 50 EFCA O=C(O)CN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)SC1=S 969031 LRJQHOUCPHCLRC-WEVVVXLNSA-N 347.339 2.991 10 50 EFCA CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cn2ccnn2)cc1 858199781 ROVFJXHNACEROF-UHFFFAOYSA-N 349.438 2.665 10 50 EFCA COc1ccc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 4896119 AMPFUJLYOGAETG-UHFFFAOYSA-N 332.350 2.936 10 50 EFCA CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 279814 AGZGSYPAWGOYFY-OAHLLOKOSA-N 347.484 2.887 10 50 EFCA OCC[C@H]1CN(Cc2ccccc2O)CCN1Cc1ccccc1F 107100415 LSJMBALNVQMUHY-SFHVURJKSA-N 344.430 2.600 10 50 EFCA CCOC(=O)CC1(c2ccc(OC)cc2)C(=O)c2ccccc2C1=O 434234 VWAYUSMWQKVLNF-UHFFFAOYSA-N 338.359 2.965 10 50 EFCA O=[N+]([O-])c1ccc(O)c(CN2CCN(Cc3ccccc3)CC2)c1 19633379 FADFGHDMWWOMEX-UHFFFAOYSA-N 327.384 2.618 10 50 EFCA COc1ccc(N2CCN([C@H]3CCCN(CC(C)C)C3)CC2)cc1 22913388 SDOZKHHTUJPXNN-IBGZPJMESA-N 331.504 2.938 10 50 EFCA O=C1N=C(O)/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccccc1 17042868 FFAIRQXEOKNZTP-JYRVWZFOSA-N 338.319 2.600 10 50 EFCA COc1ccc(N2CCN(Cc3cc(C(C)=O)cn3C)[C@H](C)C2)cc1 670464162 SMVUNVYENNRGHZ-OAHLLOKOSA-N 341.455 2.947 10 50 EFCA O=C(O)CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O 4502752 JQESZXXRSWCXCS-CYBMUJFWSA-N 344.392 2.996 10 50 EFCA COc1ccc(N2CCN(C(=O)COc3ccccc3F)CC2)cc1 7642947 DFEKFBIDDRXUSD-UHFFFAOYSA-N 344.386 2.562 10 50 EFCA CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(O)cc1O)C2=O 19320184 NNYJMNKSDUDQOW-UHFFFAOYSA-N 344.455 2.595 10 50 EFCA biogenic Cc1ccc(O)c(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1 65504828 OLYDSECUFCZBMF-FUHWJXTLSA-N 341.407 2.780 10 50 EFCA COC(=O)CC[C@H]1CN(Cc2ccccc2O)CC[C@H]1N1CCCC1 20601720 NRBSXRYIKUVZJF-FUHWJXTLSA-N 346.471 2.632 10 50 EFCA COc1cccc(N2C(=O)NC(=O)/C(=C/c3sccc3C)C2=O)c1 440962 CSMOZOIASYENNB-LCYFTJDESA-N 342.376 2.732 10 50 EFCA O=C1C(c2ccccc2)=S=C2N=C(c3ccc4c(c3)OCO4)C=CN12 334158877 WZVHZYRUBWDEJG-UHFFFAOYSA-N 348.383 2.615 10 50 EFCA CN(C)c1cc(C(F)(F)F)nc(NCc2c(O)cccc2O)n1 1472887144 NPKJNBGONOUCGF-UHFFFAOYSA-N 328.294 2.585 10 50 EFCA Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(CC(=O)O)C1=O 975152 MMSRCUVUAKLWGR-WUXMJOGZSA-N 332.406 2.762 10 50 EFCA Cc1cc(C(=O)NS(C)(=O)=O)c(C)n1-c1cccc(C(C)C)c1 1875390244 AHYVLZMFZHCUBV-UHFFFAOYSA-N 334.441 2.907 10 50 EFCA COc1ccc(O)c([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 187840 AIUHVHYSEJBVRF-YJBOKZPZSA-N 338.363 2.570 10 50 EFCA COc1ccc(N2CCN(C(=O)c3ccc4nccnc4c3)CC2)cc1 8845932 WLTIWDUPWDGYKE-UHFFFAOYSA-N 348.406 2.601 10 50 EFCA CN(C)CCCN(C/C=C/c1ccc(N(C)C)cc1)CCCN(C)C 2479882 WHPBQNCXFIVNFE-JXMROGBWSA-N 346.563 2.971 10 50 EFCA COC(=O)CN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 5101839 ZHYICXARYQNQDV-BJMVGYQFSA-N 345.804 2.853 10 50 EFCA COc1ccc(O)c(CNC(=O)[C@]2(c3ccccc3)CCCO2)c1 934943467 UKARMISEEIKFGF-LJQANCHMSA-N 327.380 2.723 10 50 EFCA O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1COc2ccccc2O1 170645072 JNEBALNHFJNIPA-LJQANCHMSA-N 339.391 2.727 10 50 EFCA COc1ccc(O)c(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)c1 20256190 COURLZIPFSFUCR-SFHVURJKSA-N 348.487 2.602 10 50 EFCA COc1cc(Br)cc(CN2C[C@H](C)O[C@@H](C)C2)c1O 23281097 AXAWMSXXMLXTLM-UWVGGRQHSA-N 330.222 2.773 10 50 EFCA COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)NC2=O)c1C 474489 ACFJEAOTGJWNKB-NTUHNPAUSA-N 345.786 2.936 10 50 EFCA COc1ccccc1N1C(=O)/C(=C\c2sccc2C)C(=O)N=C1O 1253289 NSHLKVYTYJYWPI-LUAWRHEFSA-N 342.376 2.936 10 50 EFCA CCOC(=O)N1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1 19902409 YPJNKFOJKONRND-UHFFFAOYSA-N 349.818 2.868 10 50 EFCA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 344828 OJFSYFMRKCXGDD-AWNIVKPZSA-N 342.738 2.530 10 50 EFCA CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCC(=O)N1C 906345575 PVULBAHIIUFNHZ-QGZVFWFLSA-N 331.460 2.501 10 50 EFCA CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)SC1=S 1160787 MCHABVKPLVDOLT-QPEQYQDCSA-N 339.438 2.934 10 50 EFCA CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 5960795 JKWRWKBRCJRSKM-UEUZTHOGSA-N 325.386 2.890 10 50 EFCA CN1CCN(C)C2(CCN(Cc3cccc(C(C)(C)C)c3O)CC2)C1 67542030 ORRYERRPPUXQRP-UHFFFAOYSA-N 345.531 2.902 10 50 EFCA CCC12CN3CC(CC)(CN(C1)C3c1ccc(N(C)C)cc1)C2=O 19326951 KPWCCKNPZWMYSE-UHFFFAOYSA-N 327.472 2.758 10 50 EFCA C[C@@H](C(=O)Nc1ccc(O)c(CN2CCOCC2)c1)c1ccccc1 252571075 XQFTVWZPNVXQMT-OAHLLOKOSA-N 340.423 2.967 10 50 EFCA Cc1ccc(O)c(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)c1 1565529085 OLYDSECUFCZBMF-AEFFLSMTSA-N 341.407 2.780 10 50 EFCA Oc1ccc2ccccc2c1CN1CCC[C@H](N2CCOCC2)C1 19219476 WTXWVINXDFLKRS-KRWDZBQOSA-N 326.440 2.842 10 50 EFCA COc1ccc(N2CCN(Cc3ccc4nonc4c3)[C@@H](C)C2)cc1 72149886 SVDLAVPNMMZHEU-AWEZNQCLSA-N 338.411 2.942 10 50 EFCA Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C 4362605 ZXEFTMQOVJESFF-UHFFFAOYSA-N 337.467 2.985 10 50 EFCA CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc(OC)cc2)C1=O 2496561 JQDZTBGRDGQOEA-NTCAYCPXSA-N 330.384 2.737 10 50 EFCA O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1 4695634 KJDCIRVVTJNSCQ-UHFFFAOYSA-N 336.687 2.904 10 50 EFCA COc1ccc(N2CCN(Cc3ccc4nonc4c3)[C@H](C)C2)cc1 72149885 SVDLAVPNMMZHEU-CQSZACIVSA-N 338.411 2.942 10 50 EFCA O=C1N=C(S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc[nH]1 1301999 TZIACVAYKVLEBG-WQLSENKSSA-N 331.784 2.911 10 50 EFCA COC(=O)c1ccc(O)c(CNc2cc(C)cc(C(=O)N(C)C)c2)c1 2325779573 PEBRDLTXKMWPFF-UHFFFAOYSA-N 342.395 2.801 10 50 EFCA CC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc1 1816060 LDRQHUHRFVKVIS-RBUKOAKNSA-N 327.380 2.792 10 50 EFCA biogenic COc1cc2c(cc1OC)[C@@H](c1cc([N+](=O)[O-])ccc1O)NCC2 5003189 AOYBGADSRWIDOE-KRWDZBQOSA-N 330.340 2.553 10 50 EFCA Nc1ccc(CC(=O)N[C@H]2CCCN(Cc3cccs3)C2)cc1 827848699 MQYJZHGGCLOXAY-INIZCTEOSA-N 329.469 2.654 10 50 EFCA O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\C=C\c1ccco1 13111298 NJUKUSJSWYRLAQ-JPAWQYAOSA-N 340.310 2.637 10 50 EFCA CC(C)(C)NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S 1191393 AOSLZGHBPCQKER-XFXZXTDPSA-N 334.466 2.803 10 50 EFCA O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1 453733 MWPCTGSCJCMDKY-RIYZIHGNSA-N 342.738 2.712 10 50 EFCA COc1ccc(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1 6701720 MDIXYFCKGSIXAT-UHFFFAOYSA-N 339.439 2.724 10 50 EFCA COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 15799019 ZOIAHWKDNZYKNR-XNTDXEJSSA-N 340.310 2.501 10 50 EFCA COC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 4482661 PRAVABXCVDORBN-DHZHZOJOSA-N 325.386 2.590 10 50 EFCA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 466423 NXYJUQAFIYLINH-MRXNPFEDSA-N 331.416 2.724 10 50 EFCA COc1ccc(/C(C)=C2/SC(=S)N(CCC(=O)O)C2=O)cc1 12342754 CJSSQWGGVIFRNX-UKTHLTGXSA-N 337.422 2.761 10 50 EFCA C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)CCN1Cc1ccccc1 178840840 DKKLWWNZWUDOBH-QGZVFWFLSA-N 337.467 2.934 10 50 EFCA O=C(O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1Cl 2550733 LTMPRTMEHNNTIQ-UHFFFAOYSA-N 327.745 2.545 10 50 EFCA O=C1NC(=S)N=C(O)/C1=C/c1cccn1-c1ccc(Cl)cc1 8741401 BCJLTBPRFKPPTO-UHFFFAOYSA-N 331.784 2.885 10 50 EFCA CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 74149 GGGLSHDXQIEUFJ-HNNXBMFYSA-N 331.416 2.722 10 50 EFCA Cc1nnsc1CN(C)C1CCN(c2ccc3c(c2)OCO3)CC1 65370070 ICSCJZWWISMZTF-UHFFFAOYSA-N 346.456 2.676 10 50 EFCA O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1C[C@@H]1CCCO1 1188037 ZRZKNKDDQWCPRX-NGPAHMQLSA-N 349.433 2.796 10 50 EFCA O=C(NCCc1ccccc1)C1CCN(Cc2ccccc2O)CC1 4678934 GAKKYHKKULWQJK-UHFFFAOYSA-N 338.451 2.963 10 50 EFCA COc1ccccc1N1C(=O)/C(=C\c2cccn2C)C(O)=NC1=S 1303402 KBRYRNJUXGPIQF-BENRWUELSA-N 341.392 2.705 10 50 EFCA COC1(OC)CC2(CN(C(=O)c3cc(O)cs3)[C@H]2C(C)C)C1 898354867 OFEALMKIXZOJNH-ZDUSSCGKSA-N 325.430 2.703 10 50 EFCA CN(C)C/C=C/C(=O)N(Cc1ccccc1O)Cc1ccccc1O 1875377023 PWDAHQGDEGYSMA-KPKJPENVSA-N 340.423 2.744 10 50 EFCA COc1ccc(N2CCN(C(=O)COc3ccccc3C)CC2)cc1 80512 CIDVLBDVZYKERG-UHFFFAOYSA-N 340.423 2.731 10 50 EFCA Cc1cc(O)nc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 1775990108 JUJMLXXFGWXZCE-CHWSQXEVSA-N 346.406 2.855 10 50 EFCA COc1ccc(N2CCN(C[C@H](O)COC3CCCCC3)CC2)cc1 20682748 OXOGLPWPIZHARF-SFHVURJKSA-N 348.487 2.527 10 50 EFCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(O)c(OC)c1 112530 DHCBDOHXKHPWGC-ZSOIEALJSA-N 345.395 2.729 10 50 EFCA CC1(C)CC(=O)c2cc(CC(=O)O)n(-c3cccc(C(=O)O)c3)c2C1 8991525 JTKCOHCCYVFFHI-UHFFFAOYSA-N 341.363 2.958 10 50 EFCA COc1ccc(N2CCN(c3nc(N)c4ccccc4n3)CC2)cc1 41146429 AMIINDNTRLHIKB-UHFFFAOYSA-N 335.411 2.547 10 50 EFCA COCC[C@@H](CNCc1cc(C)ccc1O)NC(=O)OC(C)(C)C 865641405 XKJCUDTWVXNZQF-HNNXBMFYSA-N 338.448 2.720 10 50 EFCA Cn1cccc1/C=C1/C(=O)N=C(S)N(c2ccc(Cl)cc2)C1=O 1297851 CRIVBUAUNIRSSO-LCYFTJDESA-N 345.811 2.921 10 50 EFCA CCN(Cc1cc(Br)ccc1O)C(=O)c1n[nH]cc1C 225666529 GDTFIYALWWDPRF-UHFFFAOYSA-N 338.205 2.849 10 50 EFCA O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(F)cc1 100401572 PQNINNHVZCQCNQ-ZROIWOOFSA-N 343.289 2.544 10 50 EFCA CC[C@H](C)[C@H](NCc1c(O)ccc2c(C)c(C)c(=O)oc12)C(=O)O 206166293 JYHKKWAJHJKKMO-VFZGTOFNSA-N 333.384 2.704 10 50 EFCA COCCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S 8565447 PYBSOSWHSREWKO-LCYFTJDESA-N 345.449 2.924 10 50 EFCA OCC[C@H]1CN(Cc2ccccc2O)CCN1CC1CCCCC1 20541255 HDERCHWRZADXIW-IBGZPJMESA-N 332.488 2.841 10 50 EFCA O=C(NCc1cccc(OCC(F)F)c1)c1c(F)ccc(O)c1O 170610285 GUIFPCPEHGGTQQ-UHFFFAOYSA-N 341.285 2.811 10 50 EFCA Cc1cc(C(=O)OC[C@@H]2CCCN2C(N)=O)c(C)n1-c1ccccc1 170645784 PGGISUVOMLFXGG-INIZCTEOSA-N 341.411 2.794 10 50 EFCA CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2C)c2ccccc21 3901125 DUNUMPOMPGSHEJ-QINSGFPZSA-N 331.375 2.841 10 50 EFCA COc1ccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 8028484 XTVBTHUSRGTZOJ-UHFFFAOYSA-N 344.386 2.562 10 50 EFCA CCOc1ccc2nc(NC=C3C(=O)OC(C)(C)OC3=O)sc2c1 2561987 ZINYWPPCKASKSA-UHFFFAOYSA-N 348.380 2.827 10 50 EFCA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1c(O)ccc2ccccc12 358477 YFKPWFCWAQVSSK-INIZCTEOSA-N 326.352 2.689 10 50 EFCA CC[C@@](O)(C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Cl)c1 225735645 CSDXHQPHZGWUEC-SFHVURJKSA-N 349.814 2.708 10 50 EFCA CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 120235 ISPSSQXYSNXBET-VBKFSLOCSA-N 341.411 2.547 10 50 EFCA CC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc([N+](=O)[O-])ccc1O 22780500 TYIQOVNMKOQECY-HYVNUMGLSA-N 334.372 2.515 10 50 EFCA COc1cc(Br)cc(CN(C)C2CCN(C)CC2)c1O 16662812 JQRYSSWQNAQMCA-UHFFFAOYSA-N 343.265 2.689 10 50 EFCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1213587 LMKRFHKTYVURJG-SEVUFMINSA-N 337.422 2.703 10 50 EFCA COc1ccc(O)c(CN2CCN(C3CCCCC3)[C@H](CCO)C2)c1 39510380 COURLZIPFSFUCR-GOSISDBHSA-N 348.487 2.602 10 50 EFCA COc1ccc(N2CCN(CC(=O)Nc3cccc(C)c3)CC2)cc1 55060306 REGCDVFJQDPGCA-UHFFFAOYSA-N 339.439 2.764 10 50 EFCA CC[C@H](N[C@H](C)C[S@](C)=O)c1cc(Br)ccc1O 183861625 BSYXDILSKIPLNI-ZMDDKVTMSA-N 334.279 2.962 10 50 EFCA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 4078525 JASNKLDWZAYCSW-UHFFFAOYSA-N 328.733 2.755 10 50 EFCA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(F)cc3)C2=O)c1 4814839 AZPNGBOFBNOXEF-DHDCSXOGSA-N 340.310 2.501 10 50 EFCA O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1COc2ccccc2O1 170645073 JNEBALNHFJNIPA-IBGZPJMESA-N 339.391 2.727 10 50 EFCA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1ccc2c(c1)CCO2 328656730 ZPSLVVOQNMDVNV-QFBILLFUSA-N 327.428 2.705 10 50 EFCA CC[C@H](Cn1ccnc1)NC1CCN(c2ccc3c(c2)OCO3)CC1 67689314 QXRDACARUDIUGY-OAHLLOKOSA-N 342.443 2.649 10 50 EFCA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)cc(Cl)c1O 70003 FWRVUCRXWVJELK-NSHDSACASA-N 345.182 2.890 10 50 EFCA CC(C)(C)c1cc(CNCCS(=O)(=O)O)c(O)c(C(C)(C)C)c1 2454779 UGWRPJHYCZQSKW-UHFFFAOYSA-N 343.489 2.965 10 50 EFCA CC1=NO[C@@H](C(=O)NCCc2c(C)n3c4c(cccc24)CCC3)C1 827791869 AEAIKBSRLFPMED-QGZVFWFLSA-N 325.412 2.719 10 50 EFCA COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1C 454003 JPGNLUIORLIPSK-PTNGSMBKSA-N 342.395 2.798 10 50 EFCA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(F)cc1 267913 OZJYTJXHCNXQLG-NTEUORMPSA-N 344.342 2.796 10 50 EFCA COc1ccccc1[C@@H](Nn1cnnc1)c1cc(Cl)ccc1O 1882130 ZVQWJQPKVWXTPV-MRXNPFEDSA-N 330.775 2.979 10 50 EFCA NC(=O)[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H]1c1ccccc1 895005606 OWCYTAWIGUFDAP-UONOGXRCSA-N 348.805 2.886 10 50 EFCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1 1225765 HAMUGHJHLPAWNS-NTCAYCPXSA-N 343.427 2.793 10 50 EFCA Cc1cc([C@H](C(=O)O)N2Cc3ccccc3C2=O)c(O)c(F)c1F 2356133789 DPLTXORKPTUAES-CQSZACIVSA-N 333.290 2.761 10 50 EFCA COc1cccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1O 187782 LRKSOBWINIVCJU-GOEBONIOSA-N 338.363 2.570 10 50 EFCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1213584 LMKRFHKTYVURJG-RDQDRAATSA-N 337.422 2.703 10 50 EFCA CN1C(=O)/C(=C\c2cc(Br)ccc2O)SC1=S 5008746 AGTKZMUTWXCOFD-WEVVVXLNSA-N 330.228 2.986 10 50 EFCA S=C(NC1CCCCC1)N1CCN(c2ccc3c(c2)OCO3)CC1 4855881 NURIGFBEYOLCPY-UHFFFAOYSA-N 347.484 2.745 10 50 EFCA O=C1N=C(O)/C(=C/c2c[nH]c3ccccc23)C(=O)N1C[C@@H]1CCCO1 453185 IMJCKBGLICSZHH-QENILXLESA-N 339.351 2.649 10 50 EFCA COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1 19909798 KAHGBOHCJFKVGS-IBGZPJMESA-N 343.379 2.551 10 50 EFCA in-vitro C[C@H]1Oc2ccccc2C=C1/C=C1/SC(N2CCOCC2)=NC1=O 860072 IDLIMCCHAJSSPH-PILJQMSFSA-N 342.420 2.696 10 50 EFCA CN(C)c1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 16667613 ZUNZPFZBMJMPSD-YBEGLDIGSA-N 341.798 2.867 10 50 EFCA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc([N+](=O)[O-])c1O 16671480 AAJJWYGWGFDTDO-POHAHGRESA-N 340.382 2.530 10 50 EFCA Cc1ccccc1CN1CCN(Cc2ccccc2O)C[C@H]1CCO 828747634 QLYGOKGNSGMFMW-HXUWFJFHSA-N 340.467 2.769 10 50 EFCA Cc1c(NCc2cc(F)ccc2O)cccc1C(=O)N1CCOCC1 1857528550 VFTJHXPQXGPXBJ-UHFFFAOYSA-N 344.386 2.924 10 50 EFCA COc1ccc(N2CC3(CN(CC[C@@H](O)c4ccccc4)C3)C2)cc1 2356165880 JGMGBJWOMNGPDL-HXUWFJFHSA-N 338.451 2.941 10 50 EFCA COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(N)cc2)CC1 8701334 NFPVNXYQTBPQHO-UHFFFAOYSA-N 345.830 2.893 10 50 EFCA CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCC2 3634300 KPHSUFUEWZLFOG-UHFFFAOYSA-N 339.413 2.997 10 50 EFCA Cc1nn(C)c(Cl)c1/C=C/C(=O)N1C[C@H](C(=O)O)c2ccccc21 177479106 UTLYSIUXPLHYOV-GWJCSSMESA-N 345.786 2.610 10 50 EFCA Cc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 18061702 ZQAFOFJMKBOXBH-GDNBJRDFSA-N 339.326 2.713 10 50 EFCA CN1CCC[C@H](CNC(=O)c2cccc(O)c2O)[C@H]1c1cccs1 248709853 BXLSOHHDSPUHFN-WBMJQRKESA-N 346.452 2.972 10 50 EFCA Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C)c2C)C(=O)N=C1O 8914822 CRIISHUYFZPAIR-XNTDXEJSSA-N 337.379 2.821 10 50 EFCA Cc1cccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 100146560 BRORETTZSUVQML-RAXLEYEMSA-N 339.326 2.713 10 50 EFCA COc1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccccc3)C2=O)cc1 493818 NSQLJPXCUUCLES-BDKUJZOCSA-N 348.358 2.918 10 50 EFCA COCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 2384533 HHAVABHIDWBLEB-ZROIWOOFSA-N 333.434 2.853 10 50 EFCA CN(Cc1ccccc1O)C(=O)[C@H]1CCCN(Cc2ccco2)C1 55074649 YVWAOAFGSFNGEB-INIZCTEOSA-N 328.412 2.856 10 50 EFCA COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1O 1189662 SHLGFNMWSDCHHW-YWEYNIOJSA-N 346.227 2.652 10 50 EFCA CN(C)c1ccc2c(c1)OCCN2C(=O)C(F)(F)c1ccccn1 170608836 ZOEVOCSHNJSBKE-UHFFFAOYSA-N 333.338 2.665 10 50 EFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)CCC2 8655183 FSQAYOZDWTXOEK-ATVHPVEESA-N 332.359 2.842 10 50 EFCA O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/C=C/c1ccccc1 1225702 RXHBGFUGZMNJRE-LYXWDPSCSA-N 332.359 2.905 10 50 EFCA C[C@@H](C(=O)O)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 969838 HPDSJPINDQZMIO-QJZKUFFDSA-N 332.406 2.842 10 50 EFCA biogenic CCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)NC1=S 2816774 CGEULIZJFCDBNX-UKTHLTGXSA-N 327.409 2.595 10 50 EFCA O=C1N[C@H](CC(F)F)C(=O)N1Cc1ccc(N2CCCCC2)cc1 170592507 CCWVAZSBKLMLGQ-CQSZACIVSA-N 337.370 2.753 10 50 EFCA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccco1 234540 PYCKGQNYHQQEOR-WQLSENKSSA-N 333.141 2.504 10 50 EFCA COCCCN1C(=O)/C(=C\c2ccc(F)cc2)C(C(=O)OC)=C1C 2964068 ASUGOVQNVVUSMK-PTNGSMBKSA-N 333.359 2.535 10 50 EFCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(OC)c1O 113225 XDEVDXHBOJOUHP-ZROIWOOFSA-N 345.395 2.729 10 50 EFCA COC(=O)CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1185968 CQZLGXMKFQMAPT-XFXZXTDPSA-N 339.413 2.980 10 50 EFCA CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC(=O)N1C 906345574 PVULBAHIIUFNHZ-KRWDZBQOSA-N 331.460 2.501 10 50 EFCA COc1ccc(/C=C2\C(=O)NN(c3ccc(F)cc3)C2=O)cc1C 226095378 LTSMQBZRYXONJR-XNTDXEJSSA-N 326.327 2.604 10 50 EFCA CC(=O)N1CCC(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 170121613 ZYIMQSVOWYVBEK-UHFFFAOYSA-N 339.439 2.835 10 50 EFCA COc1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)cc1 85970 NYQNGPHWQJJDTO-XEXQVEHGSA-N 338.319 2.511 10 50 EFCA COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)c(O)c1 23282114 HGIODAIDZRXFAE-UHFFFAOYSA-N 329.396 2.976 10 50 EFCA O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCO[C@H]1c1ccncc1 1775993781 KJRLOUWXLVUEGC-ZBFHGGJFSA-N 347.802 2.770 10 50 EFCA CCN1C(=O)C(=Cc2cc(C)n(C3CC3)c2C)C(=O)N(CC)C1=S 312570 HXDFEYRMEWGTBN-UHFFFAOYSA-N 345.468 2.819 10 50 EFCA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2ccc(N3CCCCC3)cc2)C1 284481639 FPAHVUMFORUWAP-MSOLQXFVSA-N 341.459 2.757 10 50 EFCA CC(=O)N[C@@H]1Cc2ccccc2N(Cc2c[nH]nc2-c2cccnc2)C1 378560860 GQFCLXHXIHYQPH-GOSISDBHSA-N 347.422 2.539 10 50 EFCA O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1cccnc1 1107752 IXGNQCFFVSVOSQ-LCYFTJDESA-N 341.417 2.628 10 50 EFCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 1225799 IKKQHDRQBXWMCL-RVDMUPIBSA-N 338.388 2.527 10 50 EFCA COc1ccccc1N1C(=O)/C(=C/c2cccn2C)C(O)=NC1=S 1303401 KBRYRNJUXGPIQF-ZRDIBKRKSA-N 341.392 2.705 10 50 EFCA Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\c3cccn3C)C2=O)c(C)c1 440935 YKLIETBMTATDGQ-XNTDXEJSSA-N 337.379 2.617 10 50 EFCA Oc1ccc(Cl)cc1CN1CCc2nnc([C@H]3CCCO3)n2CC1 20776517 FZCOLHGWVVTVIC-OAHLLOKOSA-N 348.834 2.547 10 50 EFCA COc1ccc(N2CCC(NC[C@](C)(O)C(F)(F)F)CC2)cc1 371439730 MJKWBHUMKAMJGZ-HNNXBMFYSA-N 332.366 2.567 10 50 EFCA CN(C)c1ccc(/C=C2/SC(=N)NC2=O)cc1Br 5586484 AQEQOZZIYBRAIS-UXBLZVDNSA-N 326.219 2.654 10 50 EFCA Cc1c(-c2ccc(/C=C3/C(=O)NC(=O)N=C3O)o2)cccc1[N+](=O)[O-] 2978919 LIGJHQIAALEEFD-UHFFFAOYSA-N 341.279 2.753 10 50 EFCA CCC(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1 4653024 RUXZLHZVYBEMPS-UHFFFAOYSA-N 328.324 2.691 10 50 EFCA CN1CCN(c2ccc(CNC(=O)c3ccc(F)cc3)cc2)CC1 49740624 DYNQTLVQQJJFOS-UHFFFAOYSA-N 327.403 2.508 10 50 EFCA CC(C)(C)N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)cc2)C1=O 440857 ARLIIOSTAQGPLA-NTCAYCPXSA-N 341.411 2.547 10 50 EFCA O=C(O)CCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1898813 NUQNOXJJDFJUNV-FLIBITNWSA-N 325.386 2.892 10 50 EFCA N=C1/C(=C/c2cccnc2)C(=O)N=C2SC(c3cccs3)=NN12 4872245 UYFHFQCPFGXBMV-VKYSFVOOSA-N 339.405 2.811 10 50 EFCA CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C 4809524 ABCFMOKWHLMJHX-UHFFFAOYSA-N 335.381 2.923 10 50 EFCA CC1=NO[C@H](C(=O)NCCc2c(C)n3c4c(cccc24)CCC3)C1 827791868 AEAIKBSRLFPMED-KRWDZBQOSA-N 325.412 2.719 10 50 EFCA c1ccc(-c2cnc(SCc3nn[nH]n3)n2Cc2ccco2)cc1 745438601 YBRCJFIOAHBCDH-UHFFFAOYSA-N 338.396 2.997 10 50 EFCA COc1ccc(N2CCN(C(=O)CCc3ccncc3)[C@H](C)C2)cc1 72474663 CYLKPIHOZBEXIA-MRXNPFEDSA-N 339.439 2.760 10 50 EFCA O=[N+]([O-])c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)cc1 3861521 GHDZRIQTRDZCMV-ISLYRVAYSA-N 330.344 2.801 10 50 EFCA Cc1ccc(OCCCC(=O)NCc2c(O)cc(O)cc2O)cc1C 1775996861 LBVAKFSWKMDXCY-UHFFFAOYSA-N 345.395 2.896 10 50 EFCA Cc1noc([C@H](NCc2ccc3c(c2)CCO3)C2CCOCC2)n1 328617706 DAHLCXJKWFLCGO-QGZVFWFLSA-N 329.400 2.570 10 50 EFCA COc1ccccc1N1C(=O)N=C(O)/C(=C/c2cccn2C)C1=O 8971294 IZDAEEJSGCCKRR-BENRWUELSA-N 325.324 2.540 10 50 EFCA COc1ccc(N2CC3(C2)CN(c2c(C)c(C)nc4ccnn24)C3)cc1 2356163704 OCZTWOJIVKOXSZ-UHFFFAOYSA-N 349.438 2.681 10 50 EFCA Nc1ccc(CC(=O)N[C@@H]2CCCN(Cc3cccs3)C2)cc1 827848700 MQYJZHGGCLOXAY-MRXNPFEDSA-N 329.469 2.654 10 50 EFCA NC(=O)C1(NC2CCN(c3ccc4c(c3)CCC4)CC2)CCCC1 1506420125 VHAWFATWMISMAJ-UHFFFAOYSA-N 327.472 2.532 10 50 EFCA COc1ccc(N2CCN(C(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 4748580 KLFWBBXBVSAJDN-UHFFFAOYSA-N 347.396 2.627 10 50 EFCA Cc1cc(C(=O)N2CCC[C@H]3OCC[C@H]32)c(C)n1-c1ccccn1 366541964 HVAXMVGAKJLXEB-IAGOWNOFSA-N 325.412 2.883 10 50 EFCA CCOC(=O)C1CCN(Cc2cc(Br)ccc2O)CC1 23281764 LRSHQCDJTTWELX-UHFFFAOYSA-N 342.233 2.930 10 50 EFCA COc1cccc(N2C(=O)/C(=C/c3ccc[nH]3)C(O)=NC2=S)c1 45633 XRROVPWRCLRNCD-MDWZMJQESA-N 327.365 2.695 10 50 EFCA COc1ccc(N2CC3(CN(C(=O)c4sc(C)nc4C)C3)C2)cc1 2100544752 IDNZUCDGSRPPEH-UHFFFAOYSA-N 343.452 2.731 10 50 EFCA COc1ccccc1N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 4980918 CESNPMHIJHXYRN-UHFFFAOYSA-N 343.383 2.631 10 50 EFCA O=c1c(-c2ccccc2)coc2c(CN3CCOCC3)c(O)ccc12 19770753 VFWZRNWEXUGWGH-UHFFFAOYSA-N 337.375 2.998 10 50 EFCA biogenic,in-vitro COc1ccc(O)c([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 187853 AIUHVHYSEJBVRF-CRAIPNDOSA-N 338.363 2.570 10 50 EFCA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1ccc2c(c1)CCN2C 886052240 FIMHILCHOBWIKI-FXAWDEMLSA-N 340.471 2.763 10 50 EFCA CCn1ccnc1Cn1ccnc1-c1ccc(O)c(CN(C)C)c1 71752514 MEBUYBWTZDYSIN-UHFFFAOYSA-N 325.416 2.582 10 50 EFCA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 466422 NXYJUQAFIYLINH-INIZCTEOSA-N 331.416 2.724 10 50 EFCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(Br)c1 13943910 QXPLONXNECTSQK-GXDHUFHOSA-N 343.180 2.911 10 50 EFCA COCC[C@H](CNCc1cc(C)ccc1O)NC(=O)OC(C)(C)C 865641407 XKJCUDTWVXNZQF-OAHLLOKOSA-N 338.448 2.720 10 50 EFCA COc1ccc(N2CCOCC2)c(NC(=O)c2ccccc2OC)c1 12651390 BQDYMAUAOYJQPJ-UHFFFAOYSA-N 342.395 2.793 10 50 EFCA COc1ccc(N2CCN(Cc3cccnc3OC)[C@H](C)C2)cc1 670469762 CEYFFVHBQKITBT-OAHLLOKOSA-N 327.428 2.810 10 50 EFCA CC[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1O 155050891 QGKKNCNVAQACLT-MRXNPFEDSA-N 348.468 2.883 10 50 EFCA COc1ccccc1C=C1C(=O)NC(=O)N(c2cccc(C)c2)C1=O 1857666436 ZMTNTLOFUPYDEK-UHFFFAOYSA-N 336.347 2.670 10 50 EFCA C[C@@H]1C[C@H]1N1C(=O)/C(=C\c2ccnn2-c2ccncc2)SC1=S 1875304315 GXBSQFKGRGHZHH-YDPCZCDVSA-N 342.449 2.877 10 50 EFCA CN(C)c1ccc(/C=C2\SC(=O)NC2=O)cc1Br 12414053 QANNJOPPUUVABX-POHAHGRESA-N 327.203 2.839 10 50 EFCA COc1ccc(N2CCN(Cc3ccc(C(=O)O)cc3)CC2)cc1 200933 RBDSOTANMHQZRU-UHFFFAOYSA-N 326.396 2.716 10 50 EFCA O=C1CSC(=S)N1c1ccc(I)cc1 4866834 VISGEZPFIGHFLQ-UHFFFAOYSA-N 335.191 2.656 10 50 EFCA OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCN1C1CCCC1 20599285 DVKDKYCNYAVQLI-QGZVFWFLSA-N 338.879 2.857 10 50 EFCA COc1ccc(N2C(=O)/C(=C\c3cccs3)C(=O)N=C2S)cc1 9122090 CHHLHFPUVAGRDH-LCYFTJDESA-N 344.417 2.999 10 50 EFCA COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccc(F)cc2)C1=O 435651 XDZDKFFIWPRPHF-ZROIWOOFSA-N 346.745 2.949 10 50 EFCA COc1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)c(OC)c1 92202 QBDHCASCZBYQAI-UHFFFAOYSA-N 334.368 2.950 10 50 EFCA CC(=O)Oc1ccc(C(=O)C(=O)c2ccc(OC(C)=O)cc2)cc1 3080892 LNJCEUOYHGUBLO-UHFFFAOYSA-N 326.304 2.603 10 50 EFCA O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCN1Cc1ccc(F)cc1 158884674 ZXSGCWCPMSLORJ-INIZCTEOSA-N 344.386 2.518 10 50 EFCA COc1cc(C[C@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC 2017274 RGVPOXRFEPSFGH-CQSZACIVSA-N 345.395 2.553 10 50 EFCA investigational COc1ccc(N2CCN(CC(=O)NC3CCCCCC3)CC2)cc1 55060356 ZZQXYOWZZIYUAP-UHFFFAOYSA-N 345.487 2.656 10 50 EFCA C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc2nsnc12 378508 CVIUMGCPNZDTIU-JTQLQIEISA-N 331.422 2.831 10 50 EFCA CCCO[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)C(C)(C)C1 95366661 JMDHYWSBMRXSPG-OAHLLOKOSA-N 334.460 2.938 10 50 EFCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)cc1 9168130 WAPXLKHHEZFOOQ-MHWRWJLKSA-N 337.379 2.617 10 50 EFCA COc1ccc(N2CC3(CN(Cc4nc5ncccc5o4)C3)C2)cc1 2356150306 WIRQWZBOAGAZQF-UHFFFAOYSA-N 336.395 2.554 10 50 EFCA COc1cccc(CN2CCCN(c3ccncc3C)CC2)c1O 65492416 PXNGRZPORBWXKR-UHFFFAOYSA-N 327.428 2.817 10 50 EFCA COc1ccc(N2CCN(C(=O)[C@@H](C)N3CCCC3)CC2(C)C)cc1 91725771 OAKFWXPZJFABTH-MRXNPFEDSA-N 345.487 2.607 10 50 EFCA CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C(=O)c1ccccc1 193946313 RZOURNDZOXBGMI-QGZVFWFLSA-N 338.407 2.655 10 50 EFCA Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c(C)c1 73677 KEQHMHOXZFBGJU-UHFFFAOYSA-N 335.381 2.816 10 50 EFCA CCOc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 5332442 WECLYCXSJDFORP-UHFFFAOYSA-N 335.410 2.891 10 50 EFCA c1ccn2c(CNC3CCN(c4ccc5c(c4)CCC5)CC3)nnc2c1 1506426522 HUFOWQXKWPFTAM-UHFFFAOYSA-N 347.466 2.977 10 50 EFCA O=S(=O)(Nc1ccc(O)cc1Cl)c1ccnn1CC1CCC1 901936433 LQWQZLILLPEYAW-UHFFFAOYSA-N 341.820 2.843 10 50 EFCA COC(=O)c1ccc(/C=C2\SC(Nc3cccnc3)=NC2=O)cc1 12562785 OMQAWILAJFRBRP-ZROIWOOFSA-N 339.376 2.951 10 50 EFCA Cc1cccc([C@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)c1O 5029516 GLDBKXQJVBLMMN-HNNXBMFYSA-N 329.425 2.604 10 50 EFCA OCC1CCN(c2ccc(CN[C@H]3CCCc4n[nH]cc43)cc2)CC1 375792440 QEBKXSHBNDXUGR-IBGZPJMESA-N 340.471 2.786 10 50 EFCA Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)cc3)C2=O)c1 16663445 IISYXYQAEVGIIX-ATVHPVEESA-N 349.390 2.727 10 50 EFCA CN1C(=O)C(=Cc2ccc(Cl)cc2Cl)C(=O)N(C)C1=S 297504 SITBPLHFPBOYAG-UHFFFAOYSA-N 329.208 2.592 10 50 EFCA O=C(O)CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S 1506130 PCBRQAADESOVBU-WEVVVXLNSA-N 347.339 2.991 10 50 EFCA COc1cccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)c1 7496901 PZGOAXWGNBKYBY-UHFFFAOYSA-N 342.395 2.793 10 50 EFCA CCCCN1C(=O)/C(=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)NC1=S 2332237308 QAROPKKFGRNYOA-XFXZXTDPSA-N 348.428 2.519 10 50 EFCA O=C(CN1CCCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 4718013 SBLYAYXFYIBBQZ-UHFFFAOYSA-N 348.402 2.886 10 50 EFCA COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2 5022300 OQGVFRQCGIFXFF-NXEZZACHSA-N 349.408 2.629 10 50 EFCA CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1215482 NWTMBZAOESKGQC-LCFDYFRESA-N 337.422 2.847 10 50 EFCA COc1ccc(O)c([C@H](C)NC(=O)c2[nH]nc(C(F)(F)F)c2C)c1 1338905041 OCOSSJSOLPRSFZ-QMMMGPOBSA-N 343.305 2.942 10 50 EFCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c[nH]c2ccccc12 19637711 YVDLYKKEBRHMCP-GDNBJRDFSA-N 347.399 2.999 10 50 EFCA Cc1ccccc1N/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 100401230 OGJUKYHORSJQJU-BENRWUELSA-N 339.326 2.713 10 50 EFCA CSc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 1188905 FCOTYSVZGQLRTI-UXBLZVDNSA-N 325.436 2.694 10 50 EFCA CC(C)CN1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1CCO 23373146 VSQRXVFKEZQJGQ-INIZCTEOSA-N 326.868 2.570 10 50 EFCA CN(C)C=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O 3110191 AIRYYAGSJFNMQB-UHFFFAOYSA-N 347.459 2.888 10 50 EFCA Cc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)cc1 5968499 SVEHQERHERVKSZ-UKTHLTGXSA-N 328.418 2.888 10 50 EFCA CCOc1cc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)ccc1O 16213935 NIALPTMNYSJVOA-GDNBJRDFSA-N 338.363 2.561 10 50 EFCA O=C1N=C(N2CCN3CCC[C@@H]3C2)S/C1=C\c1ccc(F)cc1 166630691 URLAKGNUMBZJIX-MKRLJBPISA-N 331.416 2.576 10 50 EFCA Cc1ccc(-c2cc(C(=O)NCCSCc3nc[nH]c3C)[nH]n2)o1 91476539 KASJHDULUIQGEH-UHFFFAOYSA-N 345.428 2.673 10 50 EFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1c[nH]c2ccccc12 18116590 SGGCZVMEOZFAQS-GDNBJRDFSA-N 331.331 2.834 10 50 EFCA Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c([nH]c1=O)CCCC2 115279809 NSTWOBVUJLEEAT-UHFFFAOYSA-N 339.439 2.558 10 50 EFCA COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](C(=O)O)C3)c2C)cc1 237505843 PZDXOLNXQQYUFL-AWEZNQCLSA-N 342.395 2.649 10 50 EFCA COc1ccc(O)c([C@@H](C)NC(=O)c2[nH]nc(C(F)(F)F)c2C)c1 1338905040 OCOSSJSOLPRSFZ-MRVPVSSYSA-N 343.305 2.942 10 50 EFCA COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 450501 TUTLKAWNSPCEPF-LCYFTJDESA-N 330.340 2.676 10 50 EFCA CN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 5067561 VFUPDCOOIRUUAB-WQLSENKSSA-N 330.727 2.692 10 50 EFCA Cc1nc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc2[nH]1 44890660 HNQPQYDGKPLOPV-UHFFFAOYSA-N 345.409 2.677 10 50 EFCA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1 437883 GXEMIDVEZOUXMK-UVTDQMKNSA-N 343.180 2.911 10 50 EFCA COc1ccc(N2CCN(C(=O)[C@H]3CCCCN3C)CC2(C)C)cc1 77440941 FVPYYGPWVKTTFY-GOSISDBHSA-N 345.487 2.607 10 50 EFCA CC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc([N+](=O)[O-])ccc1O 584904300 TYIQOVNMKOQECY-USXIJHARSA-N 334.372 2.515 10 50 EFCA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1 4980331 YTDXTRRVYUOHMU-UHFFFAOYSA-N 347.396 2.996 10 50 EFCA COc1ccc(CN2CCN(c3ccccc3OC)CC2)c(O)c1 4981024 WAVHZUBKSJRWQP-UHFFFAOYSA-N 328.412 2.732 10 50 EFCA Cc1nc(C(C)C)cc(N2CCN(Cc3ccc(O)c(O)c3)CC2)n1 65508088 UVEBFVWXYPWWBG-UHFFFAOYSA-N 342.443 2.642 10 50 EFCA O=C(O)CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 5043661 SEHSEUOMJNCJHJ-MRXNPFEDSA-N 338.363 2.935 10 50 EFCA Cc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)o1 1803629 YAQFUYCVNCGFPK-YAEJEKNGSA-N 325.411 2.898 10 50 EFCA COCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1817082 GTJNTPVWIUEWDW-XFXZXTDPSA-N 338.410 2.833 10 50 EFCA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc2c(c1)CCO2 190430699 BPWUYAGYPNFOEL-WMZOPIPTSA-N 327.428 2.848 10 50 EFCA Cc1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1Cl 63057 QCCYLNQBCHYTAE-UHFFFAOYSA-N 346.795 2.823 10 50 EFCA O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCN(c2ccccn2)C1 1343037330 BGUNGTWGELAJCS-CYBMUJFWSA-N 346.818 2.519 10 50 EFCA Cc1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1Cl 2892113 GYCWHBBYCARTAV-UHFFFAOYSA-N 330.727 2.658 10 50 EFCA O=c1[nH]cccc1-c1c2cn[nH]c2nc2c1oc1c(O)c(O)ccc12 218160423 NAKIXBOOBZLBEI-UHFFFAOYSA-N 334.291 2.624 10 50 EFCA CC(C)Cn1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c2ccccc21 463588 YRMJJPSZSLNNKP-RIYZIHGNSA-N 341.436 2.554 10 50 EFCA Cc1cc(C=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4994043 KJBJQLHGLGFLRC-UHFFFAOYSA-N 329.356 2.651 10 50 EFCA COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O 447002 GRRPOXCUAPPXSN-MDWZMJQESA-N 344.754 2.516 10 50 EFCA CCn1cc(C=C2CCn3c2nc2cc(Cl)ccc2c3=O)nn1 1857530001 AWFUXFSCXPLVBB-UHFFFAOYSA-N 327.775 2.606 10 50 EFCA COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 303784 AFCUSINUINYQAT-UHFFFAOYSA-N 346.452 2.515 10 50 EFCA COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2 5022293 OQGVFRQCGIFXFF-ZJUUUORDSA-N 349.408 2.629 10 50 EFCA COc1cccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)c1O 39364419 PXLJPWLJBFSGLN-GOSISDBHSA-N 348.487 2.602 10 50 EFCA COc1ccc(N2CCC(N3C[C@@H](C(=O)O)[C@H](C4CC4)C3)CC2)cc1 91365059 LLMJBTDESYUGLO-RBUKOAKNSA-N 344.455 2.707 10 50 EFCA COc1ccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1 12651363 NFCWIDXXWCRHLL-UHFFFAOYSA-N 342.395 2.793 10 50 EFCA Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)o1 12729720 ISTGQNRMZMFSHG-MDWZMJQESA-N 330.340 2.558 10 50 EFCA O=S(=O)(O)c1ccc(/N=N/c2nnn(-c3ccccc3)c2O)cc1 25692348 OKEOONPDRWWWMA-FOCLMDBBSA-N 345.340 2.635 10 50 EFCA COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)cc1 133365 OSXAJPRWAJARBQ-MRXNPFEDSA-N 340.423 2.811 10 50 EFCA O=S(=O)(Nc1cc(F)ccc1F)c1cccc2nsnc12 212923 CHBFGBZEJSKQCX-UHFFFAOYSA-N 327.337 2.770 10 50 EFCA OCC[C@@H]1CN(Cc2ccccc2O)CCN1Cc1ccc(F)cc1 22852949 VKYHILAJTLJRTQ-LJQANCHMSA-N 344.430 2.600 10 50 EFCA COc1ccc(-c2cnn(C)c2)c(-c2nccn2C[C@H](C)OC)c1 2356159577 HVSURJGQHJRCFT-ZDUSSCGKSA-N 326.400 2.994 10 50 EFCA O=C1NC(=S)S/C1=C/c1cccc(I)c1 6511686 KYOFFVFQSNLERJ-VMPITWQZSA-N 347.202 2.780 10 50 EFCA O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(O)c1 16156372 ILUMUYIEEDZAJT-ZSOIEALJSA-N 342.738 2.712 10 50 EFCA NC(=O)/N=N/c1ccc(C(=O)N2CCC([C@H]3CCOC3)CC2)cc1 1875391463 ZDXHQGZCFOTTDO-YISVQYQQSA-N 330.388 2.738 10 50 EFCA O=C1N=C(Nc2cccnc2)S/C1=C\c1ccc2c(c1)OCO2 510109 TWLLNKHRJAYPOS-AUWJEWJLSA-N 325.349 2.893 10 50 EFCA CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 235745 VPTJEFRWTUPUIV-INIZCTEOSA-N 347.484 2.745 10 50 EFCA COc1ccccc1N1CCN(Cc2cccc(OC)c2O)CC1 59722079 JEBNHROQOLOTBV-UHFFFAOYSA-N 328.412 2.732 10 50 EFCA CC(=O)N1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 23128858 COCMXCCWDGWCGQ-UHFFFAOYSA-N 328.387 2.862 10 50 EFCA COc1ccc(N2CCC(NC[C@@](C)(O)C(F)(F)F)CC2)cc1 371439731 MJKWBHUMKAMJGZ-OAHLLOKOSA-N 332.366 2.567 10 50 EFCA O=[N+]([O-])c1ccc(O)c([C@H](C#Cc2ccccc2)N2CCOCC2)c1 174205 NNUMAVFPEBRJND-SFHVURJKSA-N 338.363 2.725 10 50 EFCA CN(Cc1cccs1)c1ccc(CNC[C@@](C)(O)CCO)cc1 1875299787 VUGUTWNLUQRLAO-SFHVURJKSA-N 334.485 2.608 10 50 EFCA O=C(O)CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 5043658 SEHSEUOMJNCJHJ-INIZCTEOSA-N 338.363 2.935 10 50 EFCA COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2 28465419 KNWVMRVOBAFFMH-HNNXBMFYSA-N 327.380 2.771 10 50 EFCA biogenic,in-vitro O=C(NCc1ccncc1)c1nc(-c2ccc(-n3cccc3)cc2)no1 4623068 WPHQFXOBHPCWJJ-UHFFFAOYSA-N 345.362 2.852 10 50 EFCA COc1ccc(O)c(CNC(=O)[C@@]2(c3ccccc3)CCCO2)c1 934943466 UKARMISEEIKFGF-IBGZPJMESA-N 327.380 2.723 10 50 EFCA COc1cc(CCC(=O)N(C)Cc2ccccc2O)cc(OC)c1O 830140950 KVDWACLHYBCMND-UHFFFAOYSA-N 345.395 2.706 10 50 EFCA O=C1NN(c2ccccc2)C(=O)/C1=C\c1c[nH]nc1-c1ccccc1 15799611 HVESFWCWMXTPTJ-WJDWOHSUSA-N 330.347 2.538 10 50 EFCA COC(=O)CCN1C(=O)/C(=C\c2ccccc2F)SC1=S 4860232 NIVNUKGDXKGLAC-DHZHZOJOSA-N 325.386 2.590 10 50 EFCA CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 2059776 HOLCHLAHTMVSIU-HQQGHWSLSA-N 337.422 2.760 10 50 EFCA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(O)ccc2ccccc12 230015 CWGSCFDKBBQUHY-INIZCTEOSA-N 326.352 2.736 10 50 EFCA COc1cccc(CNc2c(C)n(C)n(-c3ccccc3)c2=O)c1O 4121772 LJEQWQTYWXRSMY-UHFFFAOYSA-N 339.395 2.811 10 50 EFCA CCOc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)ncn1 136025552 XCJNWDMZBCSUAP-UHFFFAOYSA-N 346.406 2.588 10 50 EFCA CCOc1ccc(CN[C@@H]2COc3c(cccc3OC)C2)cc1CO 15064634 KEMGOCGHPNYIDG-KRWDZBQOSA-N 343.423 2.680 10 50 EFCA CCn1nc(C)c(CN(CCOC)Cc2c(O)cccc2OC)c1C 55255567 PFZGBMRNKWIGPS-UHFFFAOYSA-N 347.459 2.883 10 50 EFCA O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2Cl)ccc1O 133737436 LCWFPYAMCJAFDA-UHFFFAOYSA-N 328.733 2.755 10 50 EFCA COCCN1C(=O)/C(=C\c2cccc(Cl)c2)C(C(=O)OC)=C1C 2303787 FLHJUSDIPPAVLD-UVTDQMKNSA-N 335.787 2.659 10 50 EFCA CCN1C(=O)/C(=C\c2cc(OC)c(O)c(OC)c2)SC1=S 4482059 AZHIBQZSRSZPIQ-YRNVUSSQSA-N 325.411 2.631 10 50 EFCA Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)OC2(CCCCC2)OC1=O 100802115 LEODWYTXYBHQNR-UHFFFAOYSA-N 346.339 2.959 10 50 EFCA COc1cc2c(cc1OC)[C@H](c1cc([N+](=O)[O-])ccc1O)NCC2 5003188 AOYBGADSRWIDOE-QGZVFWFLSA-N 330.340 2.553 10 50 EFCA COc1ccc(N2CCOCC2)c(NC(=O)c2ccccc2F)c1 6715981 VUCLUTAXKHKNGE-UHFFFAOYSA-N 330.359 2.923 10 50 EFCA Cc1n[nH]cc1CN(C)C1CCN(c2ccc3c(c2)OCO3)CC1 952983457 FHKOOVHHKYPXSW-UHFFFAOYSA-N 328.416 2.548 10 50 EFCA COCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 2230083 BYHPDKLBLKZUTB-JYRVWZFOSA-N 337.422 2.653 10 50 EFCA biogenic,in-vitro CCN1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1 19791730 AOPMQYFRYJEINB-UHFFFAOYSA-N 336.819 2.598 10 50 EFCA CCCCC1(C)OC(=O)C(=Cc2ccc(OC)c([N+](=O)[O-])c2)C(=O)O1 2969580 DYDQHQLFLRNUNI-UHFFFAOYSA-N 349.339 2.993 10 50 EFCA Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1 184302 IHPFDUOMBRKXKL-UHFFFAOYSA-N 344.417 2.654 10 50 EFCA COc1cc(C)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1C(C)C 451058 KPLRCDBMBJQXCR-UHFFFAOYSA-N 346.452 2.726 10 50 EFCA COc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)cc1 3547563 XPMAEPUNGMLQIU-UHFFFAOYSA-N 328.387 2.726 10 50 EFCA CCOc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 450517 JUOCBMSQMQBBLI-VBKFSLOCSA-N 342.395 2.880 10 50 EFCA CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 16671367 QNUDEJRUCWPWBC-JXAWBTAJSA-N 335.407 2.994 10 50 EFCA COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 316428 CVFWWDDKVVQXAF-UHFFFAOYSA-N 341.367 2.566 10 50 EFCA COc1ccc(C)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 1805586 JPUVUVPMFYUPLO-RBUKOAKNSA-N 329.396 2.907 10 50 EFCA COc1ccc(N2CC[C@@H](OC(=O)c3cccc4cncn34)C2)cc1 2325800602 WHONPQIYGOMNLC-QGZVFWFLSA-N 337.379 2.779 10 50 EFCA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCCc3ccccc31)C(=O)C2=O 2666631 OFMMHXXUMVVBGW-UXHICEINSA-N 325.408 2.930 10 50 EFCA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2O)NC(=O)N1 4269762 WBMFGBGMUKHVTO-KRWDZBQOSA-N 338.363 2.764 10 50 EFCA C[C@@H]1C[C@@H]1N1C(=O)/C(=C\c2ccnn2-c2ccncc2)SC1=S 1875304312 GXBSQFKGRGHZHH-HZDYLHMUSA-N 342.449 2.877 10 50 EFCA O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 13675996 INNUJKKTRZBGPL-UHFFFAOYSA-N 334.416 2.904 10 50 EFCA CN1CCN(c2ccc(CNC(=O)CCc3ccccc3)cc2)CC1 49740643 DKDTZGKVPKKRLI-UHFFFAOYSA-N 337.467 2.687 10 50 EFCA C[C@H]1CN(Cc2c(O)ccc3c4c(c(=O)oc23)CCC4)C[C@@H](C)O1 13388692 JBANBRGZVNVLOQ-TXEJJXNPSA-N 329.396 2.597 10 50 EFCA COc1ccc(N2CCOCC2)c(NC(=O)COc2ccccc2)c1 6715857 UJLGFKPZCXBRAK-UHFFFAOYSA-N 342.395 2.549 10 50 EFCA Cc1c(N2C(=O)C(C)(C)SC2=S)c(=O)n(-c2ccccc2)n1C 1229682 WQBUEROUWOENKN-UHFFFAOYSA-N 347.465 2.628 10 50 EFCA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(C)s3)C2=O)c1 86792 WPRWCFWLPLLWPY-ZROIWOOFSA-N 342.376 2.732 10 50 EFCA Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1C2=O 3878830 LFKLTGPCMCEKPE-UHFFFAOYSA-N 346.136 2.505 10 50 EFCA biogenic CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCc1ccccc1 4785738 HMVMHPWIBFYPOS-ATVHPVEESA-N 336.351 2.991 10 50 EFCA C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc2nsnc12 378510 CVIUMGCPNZDTIU-SNVBAGLBSA-N 331.422 2.831 10 50 EFCA Cc1c(CN[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)n(C)c2ccccc12 1875400033 PHOPQGKXJNXBOG-XAUMDUMWSA-N 338.455 2.613 10 50 EFCA Oc1cc(F)c(F)cc1CNCc1ccc(N2CCOCC2)cc1 1775989805 BBGOXSWQBYLYBC-UHFFFAOYSA-N 334.366 2.797 10 50 EFCA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CCN2C 886040567 TVWDVYMSKWSEBB-PXNSSMCTSA-N 340.471 2.649 10 50 EFCA COc1ccc(CN2CCCC[C@H]2c2ccnn2C)c(O)c1OC 1334268629 ALOREUMRBWLUGS-HNNXBMFYSA-N 331.416 2.870 10 50 EFCA COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)ccc1O 16195990 PDLAMXLTMYCSCQ-JYRVWZFOSA-N 344.754 2.516 10 50 EFCA COC(=O)c1sc2cc(=O)n(-c3ccc(Cl)cc3)nc2c1O 1385311 ADPMFTAPUBUPSM-UHFFFAOYSA-N 336.756 2.593 10 50 EFCA NC(=O)[C@@H](NC1CCN(c2ccc3c(c2)CCC3)CC1)c1ccccc1 1506404227 YRZVIVXBCOYMRB-NRFANRHFSA-N 349.478 2.960 10 50 EFCA COc1cccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1O 187788 LRKSOBWINIVCJU-GDBMZVCRSA-N 338.363 2.570 10 50 EFCA C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 68462513 JYUJSDBJYBBGHO-HNNXBMFYSA-N 346.452 2.563 10 50 EFCA CCOc1ccc(Br)c(/C=C2\SC(N)=NC2=O)c1 5565056 RYHFNPZVJJOWFP-POHAHGRESA-N 327.203 2.777 10 50 EFCA