smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cccnc1 48909 WOZMJEMYAGETRK-INIZCTEOSA-N 347.374 2.864 50 50 EFGA COc1ccccc1NC(=O)NNC(=O)Nc1ccccc1OC 2167363 PMIWIMRLJDMQBD-UHFFFAOYSA-N 330.344 2.562 50 50 EFGA CCOC(=O)/C(C#N)=C\Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 204548623 NCXVDHKIXUHEER-FPLPWBNLSA-N 329.234 2.996 50 50 EFGA CC[C@H](Br)C(=O)NCCc1ccc(OC)c(OC)c1 266502 KPRODRKMNJZHPW-NSHDSACASA-N 330.222 2.536 50 50 EFGA biogenic C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1cccs1 12343203 NMXWDFUSNSRSCX-XMHGGMMESA-N 343.452 2.734 50 50 EFGA COc1ccc(OC)c(NC(=O)NNC(=O)c2ccc(C)s2)c1 610245 ZNINDRGRRMWNRV-UHFFFAOYSA-N 335.385 2.540 50 50 EFGA CN1CC=C2[C@@H](C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 33936196 PJKGAOPDWIODDM-RHSMWYFYSA-N 349.825 2.695 50 50 EFGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1 101131349 SIZDFLLGLIIKCY-XDHOZWIPSA-N 340.339 2.729 50 50 EFGA O=C(N/N=C\c1c[nH]nc1-c1ccc(Cl)cc1)c1cccnc1 4631377 FOAWUVASPNRYTH-JMIUGGIZSA-N 325.759 2.889 50 50 EFGA Cn1c(=NNC(=O)Nc2ccccc2)sc2cc(C(=O)O)ccc21 252679723 QILINMVGPVFTSD-UHFFFAOYSA-N 342.380 2.575 50 50 EFGA CCN(CC)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc1 5072721 FRSPMMKQMYCXDR-XDHOZWIPSA-N 325.416 2.509 50 50 EFGA NNC(=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 263640110 XXOQZAJYOHFUEN-UHFFFAOYSA-N 345.708 2.936 50 50 EFGA O=C(COc1ccccc1)N/N=C/c1ccccc1Br 438214 RJMOBTMQMALOGJ-LICLKQGHSA-N 333.185 2.978 50 50 EFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCC)cc1 43570 GMGFTZKDXQGKCR-INIZCTEOSA-N 328.368 2.730 50 50 EFGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Cl)s1 371305 ZDSPVAXQGZJHJW-VIZOYTHASA-N 339.760 2.839 50 50 EFGA O=C(N/N=C/c1c(O)ccc2ccccc12)[C@H]1COc2ccccc2O1 192753 DOWSORIDOINJND-GWJWUGQSSA-N 348.358 2.836 50 50 EFGA COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OC(C)=O 288250 VUIAWEIWKMKBOE-YBFXNURJSA-N 326.352 2.693 50 50 EFGA CC(C)=NNC(=O)c1ccn(COc2c(F)c(F)cc(F)c2F)n1 6317792 QFXMFHVPOXTYFT-UHFFFAOYSA-N 344.268 2.602 50 50 EFGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1CC(=O)N(c2ccccc2)C1 448722 NSXWIXTYZQCRNG-OFJBCHTGSA-N 346.390 2.671 50 50 EFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cccc(OC)c1 293466 GJQZAFNFAUNHPZ-HNNXBMFYSA-N 328.368 2.730 50 50 EFGA O=C1O[C@H]2[C@H]3C[C@@H]([C@@H](c4ccccc4)[C@H]13)[C@H]2I 254393368 HSYRRILDTLPLIV-WTHWOGDNSA-N 340.160 2.765 50 50 EFGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1nnc(O)c2ccccc12 1875254066 INPXSUSWMXBGGW-DLJMOMKGSA-N 336.395 2.877 50 50 EFGA C[C@@H](Cl)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 1875364966 ZUKAUIZMNABXGR-SECBINFHSA-N 335.757 2.813 50 50 EFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)o1 73180 PDORJWLWJDLPGF-RQZCQDPDSA-N 339.311 2.650 50 50 EFGA CC(=O)Nc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 2532737 KOXMPKKZTIHEEH-GZTJUZNOSA-N 326.377 2.983 50 50 EFGA Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccncc1)C(C#N)=C(N)O2 273750 KZHUCPAYQDPBSZ-GOSISDBHSA-N 343.390 2.853 50 50 EFGA C[C@@H](Cl)C(=O)N1CC[C@@](c2nc(C3CC3)no2)(C(F)(F)F)C1 1875376005 LPLZBMWJAOEOAS-JMCQJSRRSA-N 337.729 2.607 50 50 EFGA O=C(O)c1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1 32565746 XZMYLPYGMIJSHJ-MFOYZWKCSA-N 347.168 2.911 50 50 EFGA Cc1cc(C)nc(SCC(=O)N/N=C/c2c[nH]c3ccccc23)n1 186486 XVLDHJYUTBLCEH-DJKKODMXSA-N 339.424 2.817 50 50 EFGA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(B(O)O)c1 169744453 FJKZWRAFJRWIMR-UHFFFAOYSA-N 344.390 2.579 50 50 EFGA O=C(O)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 447385 KBDFYYMRHRBHJP-GIJQJNRQSA-N 332.743 2.567 50 50 EFGA O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1cccc2ccccc12 4283534 DYMUVCDVYKCKCV-UDWIEESQSA-N 333.347 2.634 50 50 EFGA C[C@@H](Cl)C(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1875377892 QKRMMEQUJCRLPU-KOLCDFICSA-N 339.773 2.887 50 50 EFGA CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)CCl)cc1 1319923685 WVJGFYKMOURJJE-UHFFFAOYSA-N 326.824 2.609 50 50 EFGA COc1ccc(/C=N/NC(=O)[C@@H](C)Cn2cnc3ccccc32)cc1 181296 MKPWOBWCKUBLTF-FVUPAENESA-N 336.395 2.831 50 50 EFGA COC(=O)c1ccccc1NC=C(C#N)C(=O)NCc1ccccc1 2049463222 HMNTYVBFSKXHEF-UHFFFAOYSA-N 335.363 2.609 50 50 EFGA COc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1 299062 CVCBNWIZZQWSEQ-UHFFFAOYSA-N 349.184 2.533 50 50 EFGA C[C@](O)(C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1 298500 HRPZMZNVCSLUMH-YCPFAOKUSA-N 347.212 2.807 50 50 EFGA CC(C)Oc1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1 615827 OFLRXKBALPPAAB-UHFFFAOYSA-N 343.452 2.783 50 50 EFGA N#C/C(=C/c1cc(Br)cs1)C(=O)NC[C@H]1CCCO1 13124937 BDAPDBDCDFZJJM-KSHIFHCESA-N 341.230 2.713 50 50 EFGA C[C@H](Cl)C(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1 1875377887 QJJLLZCVWJMLAL-CMPLNLGQSA-N 337.811 2.541 50 50 EFGA COC(=O)c1ccc(/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)cc1 102683979 FCMAGWXZVIREQF-UVTDQMKNSA-N 331.331 2.774 50 50 EFGA C[C@H](Br)c1nc(N)nc(N2CCCc3ccccc32)n1 1431538 LTTHZXWPAXRGQE-VIFPVBQESA-N 334.221 2.994 50 50 EFGA CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)[C@H](C)Cl)cn1 1875375607 FUDMIQHFFZUUFA-XJKSGUPXSA-N 335.835 2.593 50 50 EFGA CC(C)(CNC(=O)OCc1ccccc1)NNC(=O)OC(C)(C)C 114464513 WKGPQOZWAHTWTM-UHFFFAOYSA-N 337.420 2.721 50 50 EFGA in-vitro O=C(N/N=C/c1ccc(Br)s1)c1ccc(O)cc1 288536 QPLPFLSMJHDMPG-VGOFMYFVSA-N 325.187 2.980 50 50 EFGA CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)[C@H](O)c1ccccc1 12343067 KZJBSZPXXBGTGL-VRKDBZRQSA-N 338.363 2.654 50 50 EFGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)c1 8568147 YJNRSCUAVMMKAC-OAHLLOKOSA-N 345.362 2.698 50 50 EFGA O=C(NNC(=O)c1sccc1-n1cccc1)c1ccc(F)cc1 6244353 OUZKYHWZWDOLRB-UHFFFAOYSA-N 329.356 2.753 50 50 EFGA COc1ccc(C(=O)/C=C/NNC(=O)c2ccc(Cl)cc2)cc1 96170683 YHYJVCWQFZBUIQ-ZHACJKMWSA-N 330.771 2.980 50 50 EFGA COc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2C)cc1OC 358250 UZZRGRJLONAQOL-SRZZPIQSSA-N 341.411 2.883 50 50 EFGA NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccnc1 12958479 RKPYDZVMSQNRMZ-UHFFFAOYSA-N 338.314 2.981 50 50 EFGA COc1ccc(/C(C)=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1OC 12343178 HMKALECSZOPDIM-YBFXNURJSA-N 344.415 2.878 50 50 EFGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)ccc1O 5686467 KEAUPEMETBQEAY-VCHYOVAHSA-N 340.339 2.538 50 50 EFGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C(\C)c1ccc2ccccc2c1 100064786 JYYHTONHUOIHPR-RONKMWSCSA-N 336.395 2.582 50 50 EFGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1O 80907 IBVMUMWNRFHSEI-DJKKODMXSA-N 348.786 2.892 50 50 EFGA CCc1ccc(N2C[C@H](C(=O)N/N=C/c3ccccc3)CC2=O)cc1 59898 BGPKTQHEOSJNOL-VYVDHXHBSA-N 335.407 2.752 50 50 EFGA Cc1cc(C)c2c3c(sc2n1)C1(CCN(C)CC1)C(C#N)=C(N)O3 4593901 KWFARPPNUAYWOV-UHFFFAOYSA-N 340.452 2.963 50 50 EFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@@H]2C1 20458763 KTAHSMRHFRKCBY-SJORKVTESA-N 349.463 2.882 50 50 EFGA O=C(N/N=C/c1ccccc1O)C(=O)Nc1cccc2ccccc12 3060009 DGBLGMSQHFFUQZ-UDWIEESQSA-N 333.347 2.634 50 50 EFGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1 5686334 OTOBRVPDCVIOMJ-XDHOZWIPSA-N 325.416 2.897 50 50 EFGA O=C1Nc2ccccc2/C1=N\NC(=O)c1ccccc1Br 5731674 UKMYCEJUPXXRRQ-UHFFFAOYSA-N 344.168 2.535 50 50 EFGA O=C(N/N=C\c1cccc(Cl)c1)c1ccc(Cn2cccn2)o1 32573613 PDFMWEPABOYSOO-ZDLGFXPLSA-N 328.759 2.942 50 50 EFGA COc1ccc(C(=O)N[C@H](O)C(Cl)(Cl)[C@H](C)Cl)cc1 374220 OXPMRRJSHGGVKA-WRWORJQWSA-N 326.607 2.545 50 50 EFGA COCc1n[nH]c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 5044919 OWFZDMNTXFSBGZ-LLVKDONJSA-N 334.738 2.567 50 50 EFGA Cc1nn(C)c(NNC(=O)c2cc(C3CC3)nc3ccccc23)c1C#N 1875344469 FBZMKDWNPBQXCN-UHFFFAOYSA-N 346.394 2.783 50 50 EFGA COCc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OC 32573610 UGMBESNGIHJPFR-ODLFYWEKSA-N 328.368 2.614 50 50 EFGA O=C(N/N=C\c1cccnc1)[C@@H]1COc2cc3ccccc3cc2O1 32614470 MIIGLTHHSZPJQO-DUQUIBLKSA-N 333.347 2.525 50 50 EFGA COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCSSCC1 952874680 YMFVJHHZGAQUAS-UHFFFAOYSA-N 329.403 2.832 50 50 EFGA CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1c(F)cccc1Cl 32919336 LRWKEWCMOAQDGS-GFCCVEGCSA-N 347.173 2.889 50 50 EFGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Br)o1 290483 RRFFYTHKGKKIJK-GIDUJCDVSA-N 337.129 2.535 50 50 EFGA O=C(N/N=C(\c1ccccc1)c1cccnc1)c1ccc2c(c1)OCO2 5020988 PWPGKEDBTYHULW-ZBJSNUHESA-N 345.358 2.993 50 50 EFGA O=C(CCc1ccccc1)NCC(=O)N/N=C/C=C/c1ccccc1 2894516 UPYCQZYCMGJNDG-GIDDJLOASA-N 335.407 2.551 50 50 EFGA Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2)c1 17067973 ZPJWOFVVFFJJBU-LBPRGKRZSA-N 331.347 2.754 50 50 EFGA CCOc1ccc(C(=O)N/N=C/c2ccc(O)c(OCC)c2)cc1 2388554 WKQPHMMEJGZEKG-XDHOZWIPSA-N 328.368 2.954 50 50 EFGA COc1ccc(OCC(=O)NNC(=O)Nc2cc(C)cc(C)c2)cc1 17071659 AJELSHVIJVKYBY-UHFFFAOYSA-N 343.383 2.544 50 50 EFGA C/C(=N/NC(=O)CNc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 13476902 QCTXZHYVDVHURA-UYRXBGFRSA-N 326.356 2.856 50 50 EFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3O)[nH]n2)cc1 381592 IFRXYTRRHFKACS-VXLYETTFSA-N 336.351 2.560 50 50 EFGA O=C(NNC(=S)Nc1ccccc1C(F)(F)F)c1cccnc1 13519472 OZPCIOGSFDQCFG-UHFFFAOYSA-N 340.330 2.732 50 50 EFGA C=CCc1cccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)c1O 2878948 GXGQHOOFGYSNPX-UDWIEESQSA-N 340.379 2.902 50 50 EFGA CC[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 317730842 FVTKGSGBTUJEFT-NEPJUHHUSA-N 349.449 2.592 50 50 EFGA CCn1cc(/C(C)=N/NC(=O)c2ccc(Br)o2)c(C)n1 5878925 TUEOUFDOTLKFSU-OVCLIPMQSA-N 339.193 2.721 50 50 EFGA C=CCc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1O 262518 VBVSDPCRABCUMB-WOJGMQOQSA-N 325.324 2.793 50 50 EFGA C[C@@H](Cl)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 1875377602 IFFUXVORZXMZHS-GMSGAONNSA-N 332.713 2.656 50 50 EFGA Cn1ccnc1-c1noc([C@@]2(c3ccccc3)C[C@@H]2Br)n1 1775993312 PSLRVCZGDGECNW-XHDPSFHLSA-N 345.200 2.923 50 50 EFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(C)c1 242086 WNLMJZWVGZHDPP-INIZCTEOSA-N 328.368 2.648 50 50 EFGA C[C@@H](Cl)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 1875364587 XFVJFFYJQGNGDW-VXGBXAGGSA-N 343.254 2.569 50 50 EFGA COCc1ccccc1CN(C(=O)CCl)[C@@H](C)[C@H]1CCCO1 1875382652 KYOPZKSSXAUIJW-XJKSGUPXSA-N 325.836 2.968 50 50 EFGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cccc(F)c2)cc1 6493629 UPOZPOUNFDDDBQ-SRZZPIQSSA-N 338.342 2.988 50 50 EFGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccs4)[C@@H]3[C@H]1CC2 239425730 VCWFGDAOTFYHFQ-OFIKQIQMSA-N 347.447 2.634 50 50 EFGA O=C(N/N=C/c1ccccc1Br)c1ccc(O)cc1O 4360477 LBJWHIHAVPQINB-LZYBPNLTSA-N 335.157 2.624 50 50 EFGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(F)cc1 59277 ARRQSRJPEYXEIF-GIJQJNRQSA-N 328.372 2.944 50 50 EFGA O=C(O)CCSSCCNC(=O)c1cncc(C(F)F)c1 1875361933 IRMBSQBMSNCXCI-UHFFFAOYSA-N 336.385 2.605 50 50 EFGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1Cl 289387 YJPZJBCVIVMPOQ-RQZCQDPDSA-N 333.731 2.777 50 50 EFGA CCN(CC)c1nc(=O)c2cc(NC(=O)[C@@H](F)Cl)ccc2s1 2325901723 VQCOHZFOYTVABI-LLVKDONJSA-N 343.811 2.976 50 50 EFGA CCOc1ccccc1/C=N/NC(=O)CCn1cnc2ccccc21 181252 KNVLBHGKHLWUDO-FYJGNVAPSA-N 336.395 2.975 50 50 EFGA CCn1ncc(CN(Cc2ccc(Cl)cc2)C(=O)CCl)n1 1875375339 ACGTYTZCLCAFFL-UHFFFAOYSA-N 327.215 2.719 50 50 EFGA O=C1C[C@]2(CCCN(C(=O)CCCC[C@@H]3CCSS3)C2)CN1 170643644 MFWKADQPRBLIQI-CZUORRHYSA-N 342.530 2.829 50 50 EFGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C)s2)CC(=O)N1 178140 IVACVBDVLXOAKB-SNVBAGLBSA-N 336.438 2.692 50 50 EFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1coc2ccccc2c1=O 283082 GRDDWDORZKEPKQ-INIZCTEOSA-N 334.331 2.608 50 50 EFGA CO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1 5023109 ZEKJGXCVUBRMBX-VKHKGHAUSA-N 337.423 2.765 50 50 EFGA COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1O 4366437 MAPNYHDMIVWKGG-VSMYLPJWSA-N 348.786 2.972 50 50 EFGA COc1ccc(-c2cc(C(=O)N/N=C\c3cccc(O)c3)[nH]n2)cc1 32614600 VGRGBWWVVHTABU-ODLFYWEKSA-N 336.351 2.555 50 50 EFGA CCCc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)cc1 4372711 WZURKMAZYFMYGR-YBFXNURJSA-N 328.368 2.579 50 50 EFGA COc1cccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2)c1 5612691 LQRVWQJGURKUGT-DEDYPNTBSA-N 325.368 2.830 50 50 EFGA O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cccc([N+](=O)[O-])c1 433389 QFYOPZBVQFXNQQ-REZTVBANSA-N 347.714 2.741 50 50 EFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cccc(OC)c1 293468 GJQZAFNFAUNHPZ-OAHLLOKOSA-N 328.368 2.730 50 50 EFGA C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1O 2097548 GPZXJWHMYOFXOC-UDWIEESQSA-N 337.379 2.518 50 50 EFGA CCOC(=O)c1c(NC(C)=O)sc2c1CCC(C=O)=C2Cl 281689 ROFXXCJKXJRTHF-UHFFFAOYSA-N 327.789 2.978 50 50 EFGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1 2571764 XKTVDACWEATPNJ-DEDYPNTBSA-N 337.379 2.649 50 50 EFGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)c(C)c1 4209551 MRUXYOARHWSQIP-UFFVCSGVSA-N 343.814 2.837 50 50 EFGA O=C(N/N=C/c1ccc(OC(F)F)cc1)[C@@H]1COc2ccccc2O1 5739322 USPSDMHMUIDITG-FULVDIRDSA-N 348.305 2.578 50 50 EFGA Cc1c(C(=O)NNc2ccc(F)cc2)nnn1Cc1ccc(F)cc1 195387089 XHNADTXQIPEWHR-UHFFFAOYSA-N 343.337 2.670 50 50 EFGA O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(Br)cc1 297830 XXZTVSXSLXOKNS-LZYBPNLTSA-N 335.157 2.624 50 50 EFGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCC(N)=O)cc3)nc2c1 4519664 FKPDLOKDYPBOAW-ZROIWOOFSA-N 332.363 2.800 50 50 EFGA COc1ccc(C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)cc1 4534471 DWSNSDBYDGRTNU-XDHOZWIPSA-N 328.368 2.866 50 50 EFGA Cc1ccc(C)c2[nH]c(C(=O)NNC(=O)NCc3ccco3)cc12 2325879630 BIZJRQZLTWYKQD-UHFFFAOYSA-N 326.356 2.522 50 50 EFGA O=C(Nc1ccc(Br)cc1-c1nc[nH]n1)[C@@H](F)Cl 2325898448 CYYSXRAEZITNCW-MRVPVSSYSA-N 333.548 2.707 50 50 EFGA O=C(CCc1ccccc1)NNC(=S)NCc1ccc(Cl)cc1 6829452 VWXNDAUGFVJILB-UHFFFAOYSA-N 347.871 2.968 50 50 EFGA O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1 433973 HNTRUBDIXVNPDI-UHFFFAOYSA-N 333.731 2.535 50 50 EFGA Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])s1 370976 NHZNCBVXOIJGAD-LKBVRNOZSA-N 333.369 2.882 50 50 EFGA C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)C[C@@H](C)O1 229568546 JSFCHCKXDLXVBV-LBKJDUGFSA-N 336.338 2.831 50 50 EFGA Cc1cccc(O[C@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1 117836 PQFYZDDWOCBJBU-BUESGFEBSA-N 326.352 2.641 50 50 EFGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H]1COc2ccccc2O1 291203 MWVCFXCVAWYSMB-SVYXSEEQSA-N 335.363 2.766 50 50 EFGA NNC(=O)c1cc(-c2cccc(OCc3ccccc3Cl)c2)n[nH]1 392119 CNMXESBPTBVBQM-UHFFFAOYSA-N 342.786 2.913 50 50 EFGA O=S(=O)(c1ccccc1)N1[C@H]2CC=C[C@@H](Br)CC[C@H]21 101137714 HQSWHQYJVQENOD-GVCFFYALSA-N 342.258 2.932 50 50 EFGA O=C(N/N=C/c1cccc(OC(=O)c2ccco2)c1)c1ccncc1 221250 DTCVQDQWIWZUAQ-UDWIEESQSA-N 335.319 2.658 50 50 EFGA CCn1nc(C)c(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)c1C 6961173 BDHBROSVMHSCSS-NTUHNPAUSA-N 338.367 2.794 50 50 EFGA COc1ccc(CC(=O)N/N=C(\C)c2ccc(-n3ccnc3)cc2)cc1 20158323 YVDDMNUSGYDKBU-PXLXIMEGSA-N 348.406 2.964 50 50 EFGA Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccco2)c1Cl 19327994 FOFKDTUZBHUEHH-AYSLTRBKSA-N 333.562 2.981 50 50 EFGA C[C@H](Cl)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 1875377658 KIGBLCAHMXVJCD-ONGXEEELSA-N 348.752 2.550 50 50 EFGA Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc2ccccc12 4992229 LCLBCDAOJLQBNK-UHFFFAOYSA-N 347.374 2.548 50 50 EFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(F)(F)F)c32)cc1 6493628 NMSGGIVKACQPBV-SNVBAGLBSA-N 336.273 2.655 50 50 EFGA Cc1ccc2c(c1)/C(=N/NC(=O)c1cc3ccccc3cc1O)C(=O)N2 6556933 ZAVKXOJOCGLGFH-UHFFFAOYSA-N 345.358 2.940 50 50 EFGA COc1ccc(/C=N\NC(=O)c2cncc(Br)c2)cc1 32666343 AJAINZKUPWNSMG-IDUWFGFVSA-N 334.173 2.617 50 50 EFGA F[C@@H]1C[C@H]2[C@H](Br)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245236151 QETLGKWBLPLOEM-QTBDOELSSA-N 330.041 2.943 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@@H]3C=CCCC3)[C@H]2C1 252427675 BITFYVBSUMUQPK-FHLIZLRMSA-N 333.439 2.621 50 50 EFGA O=C(N/N=C/c1cccnc1)c1ccn(Cc2ccc(Cl)cc2)n1 435162 NTWDHDBBBZEWKT-RGVLZGJSSA-N 339.786 2.744 50 50 EFGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1 13635654 GMANWMMPLFOLIP-WBVHZDCISA-N 349.463 2.883 50 50 EFGA Cc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(C)c2C)c(C)c1 15933797 LJYLHAAMDAHTTE-UHFFFAOYSA-N 347.440 2.935 50 50 EFGA CC(C)c1coc([C@@H]2CCCN2S(=O)(=O)CBr)n1 1775990907 GHQJZAWQEYNJBN-JTQLQIEISA-N 337.239 2.617 50 50 EFGA CCc1n[nH]c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1004517 DQEHOBBJWPEJDS-GFCCVEGCSA-N 345.200 2.953 50 50 EFGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C[C@H]2[C@@]23N=NN(c4ccccc4)[C@@]12[C@H]1C=C[C@H]3C1 254730156 OMGGDHZFRGBBHT-HRLOVOAOSA-N 347.374 2.523 50 50 EFGA CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1cc(N)cc([N+](=O)[O-])c1 1875390458 KEYBWBUMGOQNDB-UPUBPREISA-N 328.372 2.885 50 50 EFGA CN(NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)c1ccccc1 2760711 UCOMCRPKRPSYAM-UHFFFAOYSA-N 338.333 2.947 50 50 EFGA Cc1cc(C(=O)N/N=C/C=C/c2ccc(Br)cc2)[nH]n1 18106699 CDFCCAVEZHDEEW-MOEFMSLSSA-N 333.189 2.910 50 50 EFGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)cc1 242264 VXRLETULDNPZPI-DYZYQPBXSA-N 337.379 2.706 50 50 EFGA CC(C)(C)[Si](C)(C)OC1(CN2CCC[C@@H]2C(N)=O)CCOCC1 952993255 SWIHRUQZXFUPFT-CQSZACIVSA-N 342.556 2.507 50 50 EFGA C[C@H](Cl)C(=O)N1CC[C@@](c2nc(C3CC3)no2)(C(F)(F)F)C1 1875376006 LPLZBMWJAOEOAS-JVXZTZIISA-N 337.729 2.607 50 50 EFGA NC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2)cc1 1480451 QAZLGFJNCSDDIM-CEWXCCTESA-N 343.770 2.961 50 50 EFGA COc1ccc(CNC(=O)[C@H](C)Cl)cc1COC1CCOCC1 1875364857 WLNWUTSPTFQMOI-LBPRGKRZSA-N 341.835 2.634 50 50 EFGA O=C(O)COc1ccccc1C=NNC(=O)c1cc2ccccc2o1 252678637 GRGKQNBXRKYZAT-UHFFFAOYSA-N 338.319 2.660 50 50 EFGA CCc1c(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)csc1C 612300 FHBXNJICPJYFKE-UHFFFAOYSA-N 347.396 2.814 50 50 EFGA C[C@H](Cl)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 1875377603 IFFUXVORZXMZHS-OIBJUYFYSA-N 332.713 2.656 50 50 EFGA C=CCOc1ccc(C(=O)NCCSSCCC(=O)O)cc1 1875388529 FRTBXZFWHLQEMZ-UHFFFAOYSA-N 341.454 2.837 50 50 EFGA COc1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)cc1Br 4494511 SBFVJYGJTGSBRU-RUDMXATFSA-N 344.172 2.699 50 50 EFGA CC(C)(C)c1ccc(/C=N\NC(=O)Cn2nnc3ccccc32)cc1 32617937 NYNUSOJZBNDDPL-NDENLUEZSA-N 335.411 2.879 50 50 EFGA CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccco2)c(OC)c1 121160 FZSNFBQRQPQTHJ-UKTHLTGXSA-N 341.319 2.977 50 50 EFGA Cc1ccc2c(c1)[C@@H](NC(=O)c1c(C)nn(CCCl)c1C)CO2 156368913 LCHJXXGOPQBDLM-AWEZNQCLSA-N 333.819 2.911 50 50 EFGA O=C(COc1ccc2c(c1)CCC2)NNC(=S)Nc1ccccc1 6644188 BUQRFRHCBXMWQJ-UHFFFAOYSA-N 341.436 2.572 50 50 EFGA CCOc1ccccc1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1 588361 LERUXRSZTMSUKL-WOJGMQOQSA-N 343.339 2.523 50 50 EFGA O=C(N/N=C/c1cccc(Br)c1)c1cc(C2CC2)n[nH]1 16957045 HIDGOHALYWFDBM-LZYBPNLTSA-N 333.189 2.814 50 50 EFGA Cc1c(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc2n1C 291197 TUSBBMMXOROXIT-GWJWUGQSSA-N 349.390 2.777 50 50 EFGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccco1 1453459 PDVPTRFSCXKPCR-JSJZUPIVSA-N 337.173 2.960 50 50 EFGA Cc1[nH]nc2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 4730341 HYKBOZYVHLSPFW-LBPRGKRZSA-N 331.173 2.699 50 50 EFGA Cc1c(NC=C(C#N)C(=O)C(C)(C)C)c(=O)n(-c2ccccc2)n1C 2040751263 UNYZFCCPTZWCMZ-UHFFFAOYSA-N 338.411 2.919 50 50 EFGA O=C(O)CCSSCCNC(=O)[C@H]1CCCCC1(F)F 1875388939 WCCBXJAOAYZVFL-SECBINFHSA-N 327.418 2.784 50 50 EFGA COc1cccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)c1 8568162 WEJVTTGBPDLQIY-YBFXNURJSA-N 336.351 2.555 50 50 EFGA Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 5072942 DWABALPNPFZCMT-LLVKDONJSA-N 349.177 2.603 50 50 EFGA O=C(CSc1nc2ccccc2s1)N/N=C/c1ccncc1 59271 VRRQHGIJNORDET-RQZCQDPDSA-N 328.422 2.934 50 50 EFGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1ccncc1 5068013 YSEHYWNTDXEUNB-AWEZNQCLSA-N 333.326 2.829 50 50 EFGA Cc1ccc(/C=N/NC(=O)COc2ccccc2Br)o1 437094 BRKHRWYQGXAQAX-LZYBPNLTSA-N 337.173 2.880 50 50 EFGA Cn1cccc1CNC(=O)[C@]1(c2ccccc2)C[C@H]1Br 1148114252 SFTXZPYELPTBRB-ZBFHGGJFSA-N 333.229 2.747 50 50 EFGA N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1ccccc1F 91443 XWGDOSVVASYLQE-CQSZACIVSA-N 333.326 2.829 50 50 EFGA CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(S(C)(=O)=O)cn1 408524263 RPHPWAKGZOGYSA-UHFFFAOYSA-N 344.553 2.943 50 50 EFGA O=C(Cn1nnc2ccccc21)N/N=C/c1cccc2ccccc12 228855 GQXZIYSHVNUHPT-UDWIEESQSA-N 329.363 2.735 50 50 EFGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1 264651 ASYAMYRGLSBCNF-CIAFOILYSA-N 346.390 2.948 50 50 EFGA O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1 4347370 HVODOYJSCBFRTH-UDWIEESQSA-N 333.347 2.634 50 50 EFGA COc1ccc(Cl)cc1C1(CNC(=O)CCl)CCOCC1 1875364055 HSQFJYDJHKDPEO-UHFFFAOYSA-N 332.227 2.752 50 50 EFGA CC[C@H](Nc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 36047254 MDMMBRFXLBZKSU-LZNAANCOSA-N 342.355 2.641 50 50 EFGA C[C@@](O)(C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1 298501 HRPZMZNVCSLUMH-GYKGCMEESA-N 347.212 2.807 50 50 EFGA N#C/C(=C\c1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 104187 PNVNLLQXFCBSLC-FMIVXFBMSA-N 337.404 2.881 50 50 EFGA C[C@H](Cl)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 1875377655 KIGBLCAHMXVJCD-GXSJLCMTSA-N 348.752 2.550 50 50 EFGA O=C(N/N=C/c1ccccc1Br)C(=O)Nc1ccccc1 2553770 DWYJNCYMFXRMOW-LICLKQGHSA-N 346.184 2.538 50 50 EFGA Cc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 528424 VOIHDXKHBHWIPG-UHFFFAOYSA-N 339.395 2.664 50 50 EFGA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(B(O)O)c(Cl)c1 169744436 NCXPZQHPLDXEMD-UHFFFAOYSA-N 344.390 2.579 50 50 EFGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/C=C/c1ccccc1 1878158 VFTPMGANFMNFBN-HJETYCPDSA-N 341.798 2.885 50 50 EFGA CN(CCCl)Cc1cc(Cl)c(N=C2NCCN2)c(Cl)c1 27089957 XFDVJGKSQRUEEM-UHFFFAOYSA-N 335.666 2.844 50 50 EFGA biogenic,in-vivo CCOc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCCC3)cc1 4033885 RTSAKAHNILCYCY-XDHOZWIPSA-N 326.400 2.841 50 50 EFGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccccc1F 58567 JKDLUVYQBOMYLJ-CYBMUJFWSA-N 336.750 2.689 50 50 EFGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccccc1 261326 WWVIDXSAHMRUCB-LICLKQGHSA-N 333.185 2.978 50 50 EFGA COc1cc(Cl)cc(/C=N\NC(=O)CNc2ccc(C)cc2)c1O 16667748 VMDFULOKGMKTKC-UKWGHVSLSA-N 347.802 2.925 50 50 EFGA CCN(CC)c1ccc(C(=O)NNC(=S)NC2CCCCC2)cc1 621468 DEHXGPAQOKIAIP-UHFFFAOYSA-N 348.516 2.974 50 50 EFGA COC(=O)N1[C@@]2(C)C[C@H](Br)[C@@H](Br)C[C@@]12C 216341508 YTEVIEXXRRVNPO-BDLMXSFLSA-N 341.043 2.907 50 50 EFGA CCCN1CCN([C@@H](C)CCCN(C(=O)[C@H](C)Cl)C2CC2)CC1 1875364210 ITBBPHQEHVGSPG-HOTGVXAUSA-N 343.943 2.801 50 50 EFGA COc1ccc(-c2cc(C(=O)NN)c3cc(C)ccc3n2)cc1OC 6279204 PGOLRWHNPYRBAP-UHFFFAOYSA-N 337.379 2.831 50 50 EFGA O=C(CCl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20246964 KLIHROVAEIKGPP-UHFFFAOYSA-N 342.148 2.641 50 50 EFGA C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccccc1O 13619138 NPBDANNRNRJDFS-LICLKQGHSA-N 326.381 2.998 50 50 EFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@@H]2C1 20792377 JXBPZGRQWCDKGJ-WBVHZDCISA-N 349.825 2.695 50 50 EFGA C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccc2ccccc2c1 176149908 IPUXLNZOELKMRM-CQSZACIVSA-N 348.406 2.869 50 50 EFGA N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@H]1c1cccc(F)c1 91226 MPOYZPAHBAUJHP-AWEZNQCLSA-N 333.326 2.829 50 50 EFGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(-n2cccc2)cc1 2801161 XMTXOCDHGDFKOH-UDWIEESQSA-N 333.347 2.970 50 50 EFGA COC(=O)N1[C@]2(C)C[C@H](Br)[C@@H](Br)C[C@@]12C 216341549 YTEVIEXXRRVNPO-AKEJEFCPSA-N 341.043 2.907 50 50 EFGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(C(=O)OC)cc2)cc1 1776111409 UUWYVEZNKMCXAK-DEDYPNTBSA-N 338.363 2.802 50 50 EFGA CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)c1ccc(F)cc1 2544121 UXGMESYIDVJZOB-LJWIEMNISA-N 339.370 2.761 50 50 EFGA CCc1cc(C(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccccc2n1 6519544 GTOBEYWCECSVAE-UHFFFAOYSA-N 344.374 2.883 50 50 EFGA O=C(N/N=C(\c1ccccc1)c1ccncc1)c1cc(O)ccc1O 13322205 JZFBYNDQKVGVCO-DYTRJAOYSA-N 333.347 2.675 50 50 EFGA O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccccc1Cl 32632332 GXBOYODLZPSARC-UWVJOHFNSA-N 331.759 2.631 50 50 EFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(C)c1C 283220 ZBNFARVBNHLTES-QGZVFWFLSA-N 342.395 2.957 50 50 EFGA C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccncc1 13115005 FXOYCSNHVKWTTR-RGVLZGJSSA-N 325.397 2.590 50 50 EFGA COc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1 1074622 PCNLCHMURIAATD-UHFFFAOYSA-N 349.184 2.533 50 50 EFGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1 4730682 GMANWMMPLFOLIP-RDJZCZTQSA-N 349.463 2.883 50 50 EFGA O=C(CCl)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 169897332 IGECSKLICOVJQY-UHFFFAOYSA-N 348.752 2.665 50 50 EFGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2)C2=C1CC(C)(C)CC2=O 74954 LDPUYGQQFCGHDS-QGZVFWFLSA-N 336.439 2.899 50 50 EFGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1 2025216 VKYIVTHZXVEGFY-YBFXNURJSA-N 345.786 2.828 50 50 EFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c(C)c1C 242242 ZZUFAMKOEJXFIL-INIZCTEOSA-N 338.363 2.792 50 50 EFGA COc1ccc(/C(C)=N/NC(=O)c2ccc3nc[nH]c3c2)cc1OC 4937250 ZURMMBDGSWSKPT-SRZZPIQSSA-N 338.367 2.734 50 50 EFGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 2572296 CYHLNEJDSABVGY-YBFXNURJSA-N 329.787 2.991 50 50 EFGA Cc1cc2occ(CC(=O)NNC(=O)c3ccncc3)c2cc1Cl 4867008 TUEPXHQVRQERNI-UHFFFAOYSA-N 343.770 2.793 50 50 EFGA Cc1ccc(/C=N/NC(=O)c2cncc(Br)c2)c(O)c1 289437 VFTVJPRRKWPTKH-REZTVBANSA-N 334.173 2.622 50 50 EFGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 261399 DWMIBBDDJJNOJZ-RQZCQDPDSA-N 333.731 2.777 50 50 EFGA C[C@@H](Cl)C(=O)N1CC[C@](c2nc(C3CC3)no2)(C(F)(F)F)C1 1875376007 LPLZBMWJAOEOAS-KRTXAFLBSA-N 337.729 2.607 50 50 EFGA CC(C)(C)c1n[nH]c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 82671 PBQHEXMVBUKVQA-LBPRGKRZSA-N 339.355 2.834 50 50 EFGA O=C(CN1CCCCCC1)N/N=C/c1cc(Br)cs1 4990565 NBODJSOWLCUPBF-OVCLIPMQSA-N 344.278 2.837 50 50 EFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2cccs2)n[nH]1 71805 WORGPHGUOBZZKG-CXUHLZMHSA-N 341.352 2.810 50 50 EFGA COc1ccc(C2(C(=O)NNc3cccnn3)CC3(CCC3)C2)cc1 367741093 QZXMFYSARASOLW-UHFFFAOYSA-N 338.411 2.830 50 50 EFGA CCn1ncc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1C 19840794 VJAJPRLYWXWDJL-WMLDXEAASA-N 332.411 2.805 50 50 EFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(C)c1 242083 WNLMJZWVGZHDPP-MRXNPFEDSA-N 328.368 2.648 50 50 EFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccccc1OC 283258 REHSNYKEPSYMGR-OAHLLOKOSA-N 328.368 2.730 50 50 EFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1F 240795 ZSSDFHYWYJZLIB-AWEZNQCLSA-N 334.322 3.000 50 50 EFGA C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccc(N(C)C)cc1 5570381 FQTOIDBJOZEFFX-HJGVYBFFSA-N 349.438 2.889 50 50 EFGA Cn1[nH]c(=NC(=O)NNc2ccc(F)cc2Cl)cc1C(F)F 1875313904 XGVVEZDVRVGABS-UHFFFAOYSA-N 333.701 2.721 50 50 EFGA O=C(N/N=C/c1ccccc1O)c1n[nH]c2c1CCc1ccccc1-2 6694732 BTRXRUGJPYLUIB-RGVLZGJSSA-N 332.363 2.645 50 50 EFGA CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)[C@H](C)Cl)cc1 1875364272 MWPBPRXZQQIZQH-QWHCGFSZSA-N 340.851 2.786 50 50 EFGA CC(C)(C)c1csc(CC2(O)CCN(C(=O)[C@@H](F)Cl)CC2)n1 2325898734 XSJJLLXSOYULML-GFCCVEGCSA-N 348.871 2.871 50 50 EFGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C(\C)c1ccc2ccccc2c1 100064791 JYYHTONHUOIHPR-XNHPLOEXSA-N 336.395 2.582 50 50 EFGA Cc1nn(C)c(NNC(=O)c2ccc(F)cc2C(F)(F)F)c1C#N 1875349897 RQGBGXBFDAPTKP-UHFFFAOYSA-N 341.268 2.515 50 50 EFGA O=S(=O)(O)c1ccccc1P(c1ccccc1)c1ccccc1 100534898 HXVJDHROZFWXHT-UHFFFAOYSA-N 342.356 2.692 50 50 EFGA CCc1nnc(NS(=O)(=O)c2ccc(N=C=S)cc2)s1 63772514 FQXOHWUHHKQIOG-UHFFFAOYSA-N 326.428 2.636 50 50 EFGA BrCc1nc(Br)cc(Br)n1 216713489 GHSWTGRZCCFPJB-UHFFFAOYSA-N 330.805 2.897 50 50 EFGA COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(O)cc2)[nH]n1 4927995 RDMRBJXNUHJYGK-YBFXNURJSA-N 336.351 2.555 50 50 EFGA O=C(Nc1ccc2ncn(-c3cccc(O)c3)c(=O)c2c1)[C@@H](F)Cl 2325898217 XFPVPTMFHHPFRN-CQSZACIVSA-N 347.733 2.564 50 50 EFGA Cc1ccc(OCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)c1 2820104 GKCYCFFQCUWJAK-UHFFFAOYSA-N 346.814 2.726 50 50 EFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(C)c(OC)cc1C 293111 BHRGXTXJWUGAND-QGZVFWFLSA-N 342.395 2.957 50 50 EFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(F)c(F)c1 293504 VHDHTFQERUSLIM-AWEZNQCLSA-N 334.322 3.000 50 50 EFGA Cc1ccc(S(=O)(=O)/C(C#N)=C\Nc2nc(C)cc(C)n2)cc1 2562018 XKYDQKAVDIRZLJ-GDNBJRDFSA-N 328.397 2.653 50 50 EFGA N#C/C(=C\c1cccnc1Cl)C(=O)Nc1ccccc1C(=O)O 170621137 MSPKOUVJYRJEGG-DHZHZOJOSA-N 327.727 2.979 50 50 EFGA C[C@H](NC(=S)NNC(=O)CCc1ccccc1)c1ccccc1 6522123 HPDLXRKTELKTKE-AWEZNQCLSA-N 327.453 2.876 50 50 EFGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 3008831 PCMIRVALPHZBLJ-YBFXNURJSA-N 345.786 2.828 50 50 EFGA CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@@H](N)CCCBr)O[C@@H]1C2 169974808 FEXGWQLLVNLRTO-HNRZYHPDSA-N 330.075 2.756 50 50 EFGA COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1O 16677442 JHVOGFHKMZOIGE-GHXNOFRVSA-N 339.307 2.855 50 50 EFGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(O)c(O)c1 9065047 YBEZKBQJLBPDKP-OAHLLOKOSA-N 346.346 2.706 50 50 EFGA CN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@@H]2C1 13479765 ZEHUQTHLSUQWEG-NXHRZFHOSA-N 349.825 2.694 50 50 EFGA C[C@@H](Cl)C(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1 1875377890 QJJLLZCVWJMLAL-ZYHUDNBSSA-N 337.811 2.541 50 50 EFGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/C=C/c1ccccc1 2894236 NARMOIRCVUVSGV-JPDQMXGXSA-N 341.798 2.885 50 50 EFGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(O)cc1O 580636 ILWRWRLZGJFXPM-RGVLZGJSSA-N 336.347 2.780 50 50 EFGA CCn1cc(N(Cc2cccc(OC)c2F)C(=O)CCl)cn1 1875375523 CPUCHDMSKFVGNQ-UHFFFAOYSA-N 325.771 2.823 50 50 EFGA C[C@@H](NC(=O)C(=O)N/N=C/c1ccccc1Cl)c1ccccc1 2901015 QKJMBBHINYRVEN-ZGXHQARYSA-N 329.787 2.668 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3)[C@H]2C1 33936238 PSSVTCUXUCQBCL-ROUUACIJSA-N 347.397 2.571 50 50 EFGA COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OC(C)=O 288252 LGPSHEPAUOIDOY-DEDYPNTBSA-N 340.379 2.703 50 50 EFGA COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1O 4366438 MAPNYHDMIVWKGG-VURRPDKYSA-N 348.786 2.972 50 50 EFGA Cc1nn(C)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 212229072 IJCMHHSFXFMZAI-ZDUSSCGKSA-N 334.301 2.966 50 50 EFGA in-vitro C[C@@H](NC(=O)CCl)c1nc(-c2ccc(Br)cc2)no1 1253968169 KQGQNTHNJDMBEJ-SSDOTTSWSA-N 344.596 2.915 50 50 EFGA C[C@H](Cl)C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 1875366844 LLACCSQQJISAOR-JTQLQIEISA-N 348.752 2.504 50 50 EFGA O=S(=O)(NC[C@@H](c1ccccc1)N1CCCC1)C1(CCl)CC1 1776006552 QYZYJKNBCOSKFA-HNNXBMFYSA-N 342.892 2.514 50 50 EFGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c1C 282980 AXABDYZAGLQEIL-INIZCTEOSA-N 340.379 2.827 50 50 EFGA COc1ccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 4579348 FTOPXHYYWCJXKD-WOJGMQOQSA-N 343.339 2.766 50 50 EFGA CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CSc1cccc[n+]1[O-])C2 169849859 KNLHAEYDZZWHFQ-YVJSFIOCSA-N 333.457 2.731 50 50 EFGA O=C(O)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 232596 BWWAJVJUMGBWRU-YBFXNURJSA-N 334.335 2.539 50 50 EFGA Cc1ccc(NC(=S)NNC(=O)Cc2noc3ccccc23)cc1 4051055 UAYGLADLYAAUPB-UHFFFAOYSA-N 340.408 2.697 50 50 EFGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 16995973 SAKQKNPYBJGZMS-RGVLZGJSSA-N 338.342 2.988 50 50 EFGA CCn1nc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C 372255 ZVBGJHOFLZEVIT-INIZCTEOSA-N 340.427 2.971 50 50 EFGA CCn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)n1 2759161 AFRQLLTYTVSHBF-OAHLLOKOSA-N 326.400 2.662 50 50 EFGA O=C(NNC(=O)C1CC1)c1c(F)ccc(SCC2CC2)c1F 408519370 LLGSMGRALPQLPB-UHFFFAOYSA-N 326.368 2.638 50 50 EFGA Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H](C)Cl)CC2)cc1Cl 1875363647 PFFXFONIHYCCLK-LLVKDONJSA-N 344.242 2.952 50 50 EFGA Cc1cnn([C@@H](C)c2nc(C3(C)CC(Br)C3)no2)c1 1875320824 MGZNMEREMKBDCF-JBLZRFIASA-N 325.210 2.999 50 50 EFGA Cc1ccc(OCC(=O)NNC(=O)Nc2ccc(F)cc2)cc1C 4866848 IRDNASWYOMSLAO-UHFFFAOYSA-N 331.347 2.674 50 50 EFGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)c1 230159 RKFIZQLLPYBGQK-UDWIEESQSA-N 335.367 2.634 50 50 EFGA CCOc1ccc(NC(=S)NNC(=O)c2ccc(F)cc2)cc1 610438 IHSOGHNNQWPVTG-UHFFFAOYSA-N 333.388 2.856 50 50 EFGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1O 187460 RNYUWGKGGRMNHI-INIZCTEOSA-N 340.379 2.852 50 50 EFGA CCOc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)c(O)c1 3136474 JCMMSYDHAFPSMW-RGVLZGJSSA-N 327.384 2.662 50 50 EFGA O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccco1 556209 CVXSCLDRFJVPSL-UHFFFAOYSA-N 336.347 2.787 50 50 EFGA O=C(NNC(=O)c1cccs1)c1cccc(Br)c1 299101 IFNSAVJFPQFFSX-UHFFFAOYSA-N 325.187 2.585 50 50 EFGA CCOC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(C)cc1 248211 NRUVBWHGPRZANN-UDWIEESQSA-N 340.379 2.701 50 50 EFGA COCc1ccccc1CN(C(=O)CCl)[C@H](C)[C@H]1CCCO1 1875382651 KYOPZKSSXAUIJW-CZUORRHYSA-N 325.836 2.968 50 50 EFGA Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 43922 HTVZYUPPAPUXQI-UHFFFAOYSA-N 332.787 2.797 50 50 EFGA Cc1n[nH]c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 18142906 VPLUTCSIJJHFIH-GFCCVEGCSA-N 331.173 2.699 50 50 EFGA Cn1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)n1 436176 UMQPCDNITVXVKV-DEDYPNTBSA-N 334.379 2.763 50 50 EFGA COc1ccc(C=NNC(=O)COc2c(C)cccc2C)cc1OC 16677584 WGOKGYOGFGDZJH-UHFFFAOYSA-N 342.395 2.850 50 50 EFGA Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Br)o1)C(C#N)=C(N)O2 207819 FHMLYSIXJNSQIA-LLVKDONJSA-N 349.140 2.522 50 50 EFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@H]2C1 4473473 JXBPZGRQWCDKGJ-RDJZCZTQSA-N 349.825 2.695 50 50 EFGA CC(C)(C)OC(=O)N1CCC[C@@]1(CNC(=O)CCl)C(F)(F)F 1333534959 KKIBNYIONCUAAZ-GFCCVEGCSA-N 344.761 2.673 50 50 EFGA COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C(F)(F)F)c21 5013096 ZWJPWYGTBDCQSJ-SNVBAGLBSA-N 336.273 2.655 50 50 EFGA COc1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)c(OC)c1 263617080 LZDYMGKMAOLQSX-UHFFFAOYSA-N 342.376 2.994 50 50 EFGA CCCCCCO[C@H](C)C(=O)NCCSSCCC(=O)O 1875355001 XBEDNWFYOSLYHI-GFCCVEGCSA-N 337.507 2.944 50 50 EFGA CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](CNC(=O)CCl)C1 1875366148 VEBBGUWXQJNOEB-ZDUSSCGKSA-N 338.835 2.876 50 50 EFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(O)c(O)c1 4762522 CSUIFALCJSGFHD-HNNXBMFYSA-N 326.352 2.549 50 50 EFGA O=C(N/N=C/c1cccs1)c1cc(-c2ccc3c(c2)OCO3)[nH]n1 9013918 RGZMVWJUZVUWQM-CAOOACKPSA-N 340.364 2.631 50 50 EFGA Cc1ccc(CNC(=S)NNC(=O)CCc2ccccc2)cc1 6788218 KLDXNBKSJUKSLZ-UHFFFAOYSA-N 327.453 2.623 50 50 EFGA C[C@H](Cl)C(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 169908551 CTTUCRCMIGACRJ-IHWZXDPASA-N 338.879 2.501 50 50 EFGA O=C(COc1ccccc1Br)N/N=C/c1ccccc1O 260193 PDSLZFPYTXPNFK-RQZCQDPDSA-N 349.184 2.684 50 50 EFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(C)c(OC)cc1C 293112 BHRGXTXJWUGAND-KRWDZBQOSA-N 342.395 2.957 50 50 EFGA N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(Br)cc1 328516 XOLJFTLRRRZRLF-UHFFFAOYSA-N 333.214 2.667 50 50 EFGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1959252 AZAWTLVEJDSYLI-LZYBPNLTSA-N 348.702 2.920 50 50 EFGA C[C@@H](Cl)C(=O)NC1(C(=O)NCc2cccs2)CCCCC1 1875377919 RGUICPLCRPWTCD-LLVKDONJSA-N 328.865 2.811 50 50 EFGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@H]2C1 4721657 WMDPBNBNNOIBDP-DLBZAZTESA-N 349.463 2.883 50 50 EFGA Cc1nnsc1C(=O)N/N=C/c1cc2ccccc2nc1Cl 4229895 ICKDCBQYQYSQTO-FRKPEAEDSA-N 331.788 2.812 50 50 EFGA CC(C)(C)OC(=O)N1CC[C@@](O)(C(F)(F)F)[C@@H](Br)C1 396137666 MTHBKYXJSOPDME-XVKPBYJWSA-N 348.159 2.684 50 50 EFGA COc1cccc(NC(=O)C(=O)N/N=C/C(C)=C\c2ccccc2)c1 2544526 GBKAGDJZHRYZOF-HXISEIJMSA-N 337.379 2.839 50 50 EFGA Cc1[nH]nc2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 4730342 HYKBOZYVHLSPFW-GFCCVEGCSA-N 331.173 2.699 50 50 EFGA CC1(C)CC(=O)C/C(=N\NC(=O)CCC(=O)Nc2ccccc2)C1 100007863 PQCODLPDYIOOAV-XSFVSMFZSA-N 329.400 2.657 50 50 EFGA O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccncc1 219844 KHRDTAFEKWFWTA-UDWIEESQSA-N 335.319 2.658 50 50 EFGA O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1Cl 4946925 HGJAIWBDKLTPDF-UHFFFAOYSA-N 336.691 2.913 50 50 EFGA Cc1c(/C=N/NC(=O)COc2ccccc2C#N)c2ccccc2n1C 274255 CZUYGNJTFJQRAA-WSDLNYQXSA-N 346.390 2.888 50 50 EFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)s1 18175653 WADZUVANFWKSEX-RQZCQDPDSA-N 326.381 2.916 50 50 EFGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1 92288 RNKUOTJWNHYPSR-UHFFFAOYSA-N 341.367 2.967 50 50 EFGA O=C(NNC(=O)c1ccc(NC(=O)C2CC2)cc1)Nc1ccccc1 508893 XFOGQNLEMMIPRS-UHFFFAOYSA-N 338.367 2.502 50 50 EFGA CCOc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c(O)c1 6493501 DWVBYIKIGKGTFD-VCHYOVAHSA-N 330.388 2.575 50 50 EFGA CCCN1CCO[Si]2(OCC1)Oc1ccccc1-c1ccccc12 822921620 HEXIYRGGEABNGT-UHFFFAOYSA-N 341.483 2.651 50 50 EFGA O=C(CCl)NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1 45399 GQYGOCZOJMVPBS-UHFFFAOYSA-N 330.982 2.837 50 50 EFGA O=C(N/N=C/c1ccccc1I)c1ccco1 436444 RKLYRXKPVYTGPV-RIYZIHGNSA-N 340.120 2.648 50 50 EFGA COc1ccc(/C(C)=N/NC(=O)c2ccc(OC)cc2OC)cc1 5015277 HIXIQVKEVBLBBL-XDHOZWIPSA-N 328.368 2.866 50 50 EFGA CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](CNC(=O)CCl)C1 1875366147 VEBBGUWXQJNOEB-CYBMUJFWSA-N 338.835 2.876 50 50 EFGA Cc1nn(C)c(C)c1CCC(=O)OC[C@@]1(C)C[C@@H]1Br 888099535 PDXWGQVIIBRQJT-GXTWGEPZSA-N 329.238 2.686 50 50 EFGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1cccs1 211936 JANLCICVIXGIPG-CYBMUJFWSA-N 334.356 2.889 50 50 EFGA CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1O 60084 DCPDTGASPUZIKC-VXLYETTFSA-N 348.786 2.973 50 50 EFGA COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(C)=O 288257 DQVMTJMVLOJUGC-YBFXNURJSA-N 326.352 2.693 50 50 EFGA O=C(CNC(=O)Nc1ccc(F)cc1)N/N=C/c1ccccc1Cl 3086004 DEYWWOALJNQTDJ-AWQFTUOYSA-N 348.765 2.751 50 50 EFGA COC(=O)[C@H]1C[C@H](Cl)CN1C(=O)c1ccc(Cl)cc1Cl 1393256 BBJDKANFEGVUPF-GZMMTYOYSA-N 336.602 2.988 50 50 EFGA COC(=O)c1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1 30833234 KZMXULUYAGSPPW-GRSHGNNSSA-N 346.770 2.656 50 50 EFGA CNC(=S)NNC(=O)c1cc(-c2cccs2)nc2ccccc12 6288112 YRHWKCMNVWLVPV-UHFFFAOYSA-N 342.449 2.702 50 50 EFGA CCCc1n[nH]c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 5686269 AURZXGDYVYLNCJ-OAHLLOKOSA-N 340.383 2.685 50 50 EFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1 4102669 YIHOMAXYJIKXIL-IAGOWNOFSA-N 349.825 2.695 50 50 EFGA C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N 253499994 SWAJIWWXRRYRDI-WDCLZLQXSA-N 329.440 2.744 50 50 EFGA biogenic O=C(NNC(=O)C1CCCCC1)c1ccc(OC[C@H]2CCCO2)cc1 13619687 DBARKTWKEUPYOU-QGZVFWFLSA-N 346.427 2.586 50 50 EFGA COC[C@H](C)OC(=O)/C(C#N)=C\c1coc2ccc(C)cc2c1=O 2758960 TVOBMKFZGKKXRA-BPLGCGBFSA-N 327.336 2.587 50 50 EFGA NNC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1 25761127 RYHCEMIKDJKLNE-UHFFFAOYSA-N 342.786 2.913 50 50 EFGA COc1ccccc1C(=O)NNC(=O)c1cc2ccccc2cc1O 289985 SYYIGGLRGDNBBA-UHFFFAOYSA-N 336.347 2.629 50 50 EFGA CO[C@@H](C(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)c1ccccc1 4474872 YYWFLVSXXZPKJC-JZQBQCRLSA-N 340.379 2.686 50 50 EFGA CCCN1CCC(=NNC(=O)c2ccc(Br)o2)CC1 4109713 FZJBCLOBQNSWDI-UHFFFAOYSA-N 328.210 2.634 50 50 EFGA COC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 8973580 KCSZCWYFXLIIHE-LLVKDONJSA-N 336.800 2.585 50 50 EFGA Cc1cc(C)cc(O[C@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1 93966 RSAXYUIVFNGBMC-DGURAOSJSA-N 340.379 2.950 50 50 EFGA COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccccc1Cl 2543046 ILKFFFIOLMPYSO-DJKKODMXSA-N 347.758 2.570 50 50 EFGA CCOc1ccc(NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 252261 QEKOQLLIDDVZHB-YBFXNURJSA-N 342.355 2.556 50 50 EFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1coc2ccccc2c1=O 2821087 GZQRQWVBINLKBF-BMLIUANNSA-N 348.358 2.854 50 50 EFGA CCOc1ccc([C@H]2CC(=O)NC(SCC#N)=C2C#N)cc1OC 9110300 XXGIVZVOAKDAIM-GFCCVEGCSA-N 343.408 2.689 50 50 EFGA F[C@@H]1C[C@H]2[C@@H](Br)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245236152 QETLGKWBLPLOEM-RSJOWCBRSA-N 330.041 2.943 50 50 EFGA O=C(O)CCSSCCNC(=O)c1cccc2cnccc12 1875388413 AILXFWKBMALXCD-UHFFFAOYSA-N 336.438 2.821 50 50 EFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1coc2ccccc2c1=O 2821089 GZQRQWVBINLKBF-BTDLBPIBSA-N 348.358 2.854 50 50 EFGA Cc1ccc(C(=O)N/N=C/c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 252536508 ITKSGBRLMVRSIP-UDWIEESQSA-N 334.379 2.546 50 50 EFGA COc1ccc(C(=O)N[C@H](O)C(Cl)(Cl)[C@@H](C)Cl)cc1 374222 OXPMRRJSHGGVKA-RDDDGLTNSA-N 326.607 2.545 50 50 EFGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C[C@H]2[C@@]23[C@H]4C=C[C@@H](C4)[C@]12N=NN3c1ccccc1 254730157 OMGGDHZFRGBBHT-PKDWCSLOSA-N 347.374 2.523 50 50 EFGA Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)o1 72947 BUIVBAZWKOTASK-RQZCQDPDSA-N 328.397 2.717 50 50 EFGA C[C@H](Cl)C(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1ccc(F)c(F)c1 1875380428 ORHWUJGWCZJQRF-AMFBXLIHSA-N 328.790 2.986 50 50 EFGA C[C@H](NC(=S)NNC(=O)c1cccc(N(C)C)c1)c1ccccc1 2851082 RCXIYXMIFSXLGD-ZDUSSCGKSA-N 342.468 2.623 50 50 EFGA O=C1C[C@H](N(C(=O)CCl)C2CCCCC2)C(=O)N1c1ccccc1 217040334 QLZZBXIZKBKVCI-HNNXBMFYSA-N 348.830 2.719 50 50 EFGA C#CCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC 3132070 AEURMHBFAGUZMK-UDWIEESQSA-N 326.327 2.610 50 50 EFGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1cccnc1 5068166 JEJVOQGCHMBMMF-AWEZNQCLSA-N 333.326 2.829 50 50 EFGA COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)CC(=O)N1 8973096 ZBCFBPYJRHOKAV-SNVBAGLBSA-N 336.800 2.585 50 50 EFGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1O 261389 IDWJOPMORVFFJY-GIJQJNRQSA-N 334.759 2.583 50 50 EFGA COc1ccc(N(c2ccc(OC)cc2)c2ccc(B(O)O)cc2)cc1 196051385 HDVVFJKYLNSKOG-UHFFFAOYSA-N 349.195 2.853 50 50 EFGA COc1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1OC 32606158 DKGKDJKVPYTJRZ-JAIQZWGSSA-N 327.384 2.574 50 50 EFGA C[C@@H](Cl)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 1875377657 KIGBLCAHMXVJCD-MWLCHTKSSA-N 348.752 2.550 50 50 EFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc([N+](=O)[O-])c1 1959380 CQTMBZWUSFCBLN-LZYBPNLTSA-N 348.702 2.920 50 50 EFGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1 2901423 XULHINVDPGNMPX-UDWIEESQSA-N 339.395 2.907 50 50 EFGA C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 2575524 SXWWICLSRXPNNW-LBPRGKRZSA-N 344.323 2.815 50 50 EFGA in-vitro Cc1n[nH]c2c1[C@@H](c1cc(Br)cs1)C(C#N)=C(N)O2 192649 VIJQCQDBDUDSBN-SNVBAGLBSA-N 337.202 2.760 50 50 EFGA C[C@H](CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C)NNC(=O)c1ccncc1 5041598 DFOMBGOIZRDJAG-CPUCHLNUSA-N 329.444 2.902 50 50 EFGA CCOc1cc(/C=N\NC(=O)CNc2ccccc2C)ccc1O 32606149 OAZKCFFHZFUOEH-JAIQZWGSSA-N 327.384 2.662 50 50 EFGA CC(C)(C)c1cccc(C(=O)NCCSSCCC(=O)O)n1 1875389050 ZVBUVYJBLVNZJU-UHFFFAOYSA-N 342.486 2.965 50 50 EFGA COc1ccc(/C=N/NC(=O)CN2CCCCCCC2)c(OC)c1C 283047 GANWFVPJBQNLDJ-DEDYPNTBSA-N 347.459 2.728 50 50 EFGA CCn1c(SCC(=O)N/N=C/c2cccn2C)nc2ccccc21 55600 WHEPBOKAAZXADB-WOJGMQOQSA-N 341.440 2.637 50 50 EFGA C/C(=N\NC(=O)Cc1cccn1C)c1ccc(Br)cc1 13583770 YXCYWZBYGZXNEI-GZTJUZNOSA-N 334.217 2.871 50 50 EFGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 2892182 RYAVWNIZJRRCOT-YBFXNURJSA-N 345.786 2.828 50 50 EFGA Cc1ccc(O)c(/C=N\NC(=O)c2cncc(Br)c2)c1 22343373 LQDDBOQMOBKLPE-IDUWFGFVSA-N 334.173 2.622 50 50 EFGA O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CCCC2(CCC2)C1 1875292588 NCSXYYXEUPAMIJ-CYBMUJFWSA-N 327.388 2.935 50 50 EFGA Cc1cc(C)c(S(=O)(=O)NNC(=O)c2csc(C)c2)c(C)c1 6527716 ISSWGAZEZNMKDU-UHFFFAOYSA-N 338.454 2.605 50 50 EFGA CCNC(=S)NNC(=O)CCn1c2ccccc2c2ccccc21 13479019 VKPBBMIKOBRYCY-UHFFFAOYSA-N 340.452 2.700 50 50 EFGA O=C(NNC(=S)NCc1ccc(F)cc1)c1c[nH]c2ccccc12 611060 RIIIXKJQAQZTEB-UHFFFAOYSA-N 342.399 2.616 50 50 EFGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccnc1 5068175 JEJVOQGCHMBMMF-CQSZACIVSA-N 333.326 2.829 50 50 EFGA C[C@H]1CNc2c(C(=O)NNc3ccccc3C(F)(F)F)cnn2C1 1119305860 SEQFYRLHLNPYFY-VIFPVBQESA-N 339.321 2.720 50 50 EFGA Cc1cc(OCC(=O)NNC(=O)c2cccs2)cc(C)c1Cl 146587 NWOZLWOCZFAQIF-UHFFFAOYSA-N 338.816 2.858 50 50 EFGA CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OCC 247208 RDMQILHMHPNZFJ-KMPOOHAWSA-N 344.411 2.686 50 50 EFGA CCN1C(=O)/C(=N/NC(=O)c2ccccc2Cl)c2ccccc21 100192258 JJGPKMBBWZMBDG-XDJHFCHBSA-N 327.771 2.841 50 50 EFGA COC(=O)c1ccc(C(=O)C(Br)Br)s1 100430665 KUVUJIMMHGKZRC-UHFFFAOYSA-N 342.008 2.833 50 50 EFGA C/C(=N\NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(N)cc1 12343223 TVSCSYPWDATWGQ-FYJGNVAPSA-N 336.395 2.550 50 50 EFGA C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1ccncc1 4746472 PDQJJDIHLHCJEC-UDWIEESQSA-N 339.424 2.601 50 50 EFGA CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 208490 IOLNKCFSCFHIQL-AWEZNQCLSA-N 326.377 2.888 50 50 EFGA O=C(NNC(=O)c1ccc2ncccc2c1)c1ccc(Cl)cc1 171313 GUVSISXMWHDFMB-UHFFFAOYSA-N 325.755 2.963 50 50 EFGA O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccccn1 2902182 UUVVLTILJZHFIJ-XDHOZWIPSA-N 335.323 2.544 50 50 EFGA CN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@H]2C1 13479764 ZEHUQTHLSUQWEG-JQHSSLGASA-N 349.825 2.694 50 50 EFGA COc1cc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)ccc1OC(C)=O 100050584 GHDNMAVXCWMYNK-YVTGBJBKSA-N 330.384 2.507 50 50 EFGA O=C1C[C@@H](N(C(=O)CCl)C2CCCCC2)C(=O)N1c1ccccc1 217040298 QLZZBXIZKBKVCI-OAHLLOKOSA-N 348.830 2.719 50 50 EFGA C[C@@H](Cl)C(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2 1875378118 VVPQWUQARUMVAN-SNPRPXQTSA-N 334.847 2.908 50 50 EFGA Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1ccc[nH]1 2969017 OXSJACWIBFQMPA-VXLYETTFSA-N 332.791 2.846 50 50 EFGA CC(C)(C)c1[nH]nc2c1[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 5095392 ITGFPSSSUBFKPN-CYBMUJFWSA-N 338.367 2.654 50 50 EFGA CCO[Si](OCC)(OCC)c1c(F)c(F)c(F)c(F)c1F 169807329 QALDFNLNVLQDSP-UHFFFAOYSA-N 330.325 2.638 50 50 EFGA in-vitro COc1ccc(CSCC(=O)N/N=C/c2ccccc2O)cc1 443784 GUZWKTOEQLXTFI-VCHYOVAHSA-N 330.409 2.784 50 50 EFGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc2ccccc2c1 8747911 LLCHTTWOCWRAQW-KRWDZBQOSA-N 346.342 2.503 50 50 EFGA biogenic,in-vitro CCOC(=O)C1=C(N)OC(CCl)=C(C#N)[C@@H]1c1ccc(F)cc1 369422 APBDDSFBWFIDGJ-ZDUSSCGKSA-N 336.750 2.689 50 50 EFGA O=C(CCn1nnc2ccccc21)N/N=C/c1ccc(Cl)cc1 536064 PNMZCTOVLJFFIO-WOJGMQOQSA-N 327.775 2.625 50 50 EFGA CC(C)(C)c1n[nH]c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 5095384 LIBORKCFNIZDRJ-GFCCVEGCSA-N 339.355 2.834 50 50 EFGA C/C(=N/NC(=O)COc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 4989837 BEGXVERCWXDKBN-AQTBWJFISA-N 327.340 2.822 50 50 EFGA O=C(O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1 4261234 USZKPPLPOUBCIZ-VXLYETTFSA-N 338.319 2.660 50 50 EFGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 58566 QVLADAOSQGWFHR-ZDUSSCGKSA-N 336.750 2.689 50 50 EFGA CC1(C)Cc2ccccc2C(NNC(=O)c2ccc([N+](=O)[O-])cc2)=N1 109161 QDNRDAPSCIYVCG-UHFFFAOYSA-N 338.367 2.611 50 50 EFGA CC1=CS/C(=C(/C#N)C(=O)N2CCOCC2)N1c1ccccc1 311361 ROYDWHPONYEFOD-ICFOKQHNSA-N 327.409 2.695 50 50 EFGA O=C(O)CCSSCCNC(=O)c1ccc2cnsc2c1 1875388421 AMEGDPWOLLABKP-UHFFFAOYSA-N 342.467 2.882 50 50 EFGA C[C@H](Cl)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 1875364582 XFVJFFYJQGNGDW-NEPJUHHUSA-N 343.254 2.569 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(F)c3)[C@H]2C1 481858 IGXJECVPWRTSLN-ZWKOTPCHSA-N 347.397 2.571 50 50 EFGA Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(C)c(C)c2)c(C)c1 15934221 UXAUDMJXECZSPG-UHFFFAOYSA-N 347.440 2.935 50 50 EFGA CNC(=S)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 7059314 HVDNHLCCSQLFMJ-AWEZNQCLSA-N 331.466 2.645 50 50 EFGA COc1ccc(C)cc1NC(=S)NNC(=O)Cc1cccs1 609051 YYIBIEMEKBVULI-UHFFFAOYSA-N 335.454 2.625 50 50 EFGA CO[C@H](C(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)c1ccccc1 4474873 YYWFLVSXXZPKJC-ACRNLXFHSA-N 340.379 2.686 50 50 EFGA CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Br)cc1 13576960 YVDYFUDGBYJEKP-JYRVWZFOSA-N 346.184 2.584 50 50 EFGA Cc1ccc(NC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 370701 SVWBKKOYYVODHW-UHFFFAOYSA-N 333.775 2.880 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C)s3)[C@H]2C1 19758252 FAUJHGKEZXHTEO-RDJZCZTQSA-N 349.463 2.802 50 50 EFGA COC(=O)c1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 567347 OTZNBZFAORQZEW-VXLYETTFSA-N 346.770 2.656 50 50 EFGA COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1O 301097 OMUXVNVPPWOPNG-RQZCQDPDSA-N 349.184 2.927 50 50 EFGA O=C(N/N=C/c1ccc(O)c(O)c1)c1cccc(Br)c1 256878 PYPQMZWTEOKPCD-LZYBPNLTSA-N 335.157 2.624 50 50 EFGA O=C(NNC(=O)c1ccccc1F)c1cccc(Br)c1 3156231 LHSKVTZPAIMTTD-UHFFFAOYSA-N 337.148 2.663 50 50 EFGA COC(=O)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 111899 WHBOSHBGARWGRV-LFIBNONCSA-N 327.361 2.812 50 50 EFGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccccn3)[nH]n2)c1 9065898 NIJZTNRRLQRUNO-UDWIEESQSA-N 335.367 2.634 50 50 EFGA CC(/C=C/c1ccccc1)=N\NC(=O)CNC(=O)c1cccc(C)c1 4210535 WGBXOVVULSYVRI-QZNOEYBOSA-N 335.407 2.930 50 50 EFGA O=C(CCl)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 1875378010 TXIGNCKIDWYVOZ-LLVKDONJSA-N 327.812 2.826 50 50 EFGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 2691296 DRHBKGCOYTZUTB-AWEZNQCLSA-N 348.786 2.559 50 50 EFGA O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1cccc([N+](=O)[O-])c1 621322 QXGSOPWVZSNJOQ-UHFFFAOYSA-N 339.311 2.543 50 50 EFGA O=C1O[C@H]2[C@H]3C[C@H]([C@H]2I)[C@H](c2ccccc2)[C@H]13 254393365 HSYRRILDTLPLIV-NFXCPBFJSA-N 340.160 2.765 50 50 EFGA C/C(=N\NC(=O)[C@@H](C)Sc1nc(C)cc(C)n1)c1ccccc1O 3663938 XHNWSESAYIPJAO-HMHKGCENSA-N 344.440 2.820 50 50 EFGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 143425 IMEZMEKMAJUNNC-UHFFFAOYSA-N 341.367 2.967 50 50 EFGA C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc([N+](=O)[O-])cc1 5296933 PIIOHPVATDDPAX-LICLKQGHSA-N 339.311 2.732 50 50 EFGA CCOc1cc(/C=N\NC(=O)c2c(C)nc3ccccn23)ccc1O 32603829 IZOVIGULGFSZOT-ODLFYWEKSA-N 338.367 2.511 50 50 EFGA COc1ccccc1-c1cc(C(=O)N/N=C/c2cccc(O)c2)[nH]n1 229616 TVCXNZBBAUENLM-YBFXNURJSA-N 336.351 2.555 50 50 EFGA CCOc1ccc(-c2[nH]nc(C(=O)N/N=C/c3ccncc3)c2C)cc1 9015508 MXVABZJRNXUOEQ-CIAFOILYSA-N 349.394 2.943 50 50 EFGA Cc1ccccc1CSCC(=O)NNC(=S)NC1CCCC1 6789591 WZSQSLXXEBPION-UHFFFAOYSA-N 337.514 2.666 50 50 EFGA CC1(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CNC1 261494051 OPJPOYVLFFFKQO-UHFFFAOYSA-N 325.528 2.925 50 50 EFGA CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1 13882202 GCBVPKFWKJEFDE-YBFXNURJSA-N 340.339 2.707 50 50 EFGA CCOC(=O)N[C@H](C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1 3124969 QXSBAWHQERJTQC-NSHDSACASA-N 340.228 2.645 50 50 EFGA Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(F)cc1 2892218 WYHHNLAMBOCGEL-DJKKODMXSA-N 333.750 2.876 50 50 EFGA CNC(=S)NNC(=O)c1sc2cc(Cl)ccc2c1Cl 6734709 GBUFVKYWMRQUGG-UHFFFAOYSA-N 334.253 2.947 50 50 EFGA COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)ccc1OC(C)=O 245238210 GHDNMAVXCWMYNK-LGCGGJEOSA-N 330.384 2.507 50 50 EFGA CCC1(C(=O)NNC(=O)c2cc(Br)c[nH]2)CCCCC1 170596042 IWPAKBOXUXAUEB-UHFFFAOYSA-N 342.237 2.899 50 50 EFGA O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(Cl)c(Cl)c1 228865 LEHDBTFBJYPHFT-QGMBQPNBSA-N 348.193 2.888 50 50 EFGA CC(C)(C)[Si](OCCOCCO)(c1ccccc1)c1ccccc1 202701536 DIVITHMWGJFFIX-UHFFFAOYSA-N 344.527 2.572 50 50 EFGA CC(=O)OC1=C(C=O)CCc2c1c(C)nn2-c1ccc(F)cc1F 336915 ZHBPJEOVPZCSAM-UHFFFAOYSA-N 332.306 2.878 50 50 EFGA CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1NC(=O)CCl 1875369904 PONISFCDKBGDCI-AAEUAGOBSA-N 330.856 2.815 50 50 EFGA CC[C@H](CCl)NC(=O)c1cccc(C(=O)N[C@H](CC)CCl)n1 336095 LNJRVGTVRPXVJN-GHMZBOCLSA-N 346.258 2.576 50 50 EFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 337157 YNNOMHMMSKMMOV-RGVLZGJSSA-N 338.342 2.988 50 50 EFGA COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 4366581 JJWCMJXAGORGMN-MBNTZHJCSA-N 343.339 2.521 50 50 EFGA C[C@@H](Cl)C(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F 1875363639 OUIVXZJIMBNBKK-NXEZZACHSA-N 339.741 2.531 50 50 EFGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1OC 207318 KFXRQLWEWVNXLY-SFHVURJKSA-N 337.379 2.894 50 50 EFGA CCNC(=S)NNC(=O)c1cc(CC(C)C)nc2ccccc12 8828972 MYTRQYCYPXKAQI-UHFFFAOYSA-N 330.457 2.562 50 50 EFGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cnccn1 28593 VEYZJEWWVDVQSJ-WSDLNYQXSA-N 332.363 2.820 50 50 EFGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1O 187463 RNYUWGKGGRMNHI-MRXNPFEDSA-N 340.379 2.852 50 50 EFGA COc1cccc([C@H](Br)[C@H](Br)C(=O)O)c1 1602062 WBRLBWOFKFWFIM-IUCAKERBSA-N 337.995 2.979 50 50 EFGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc2ccccc12 2568383 JUVAJOAOBMEGIH-FYJGNVAPSA-N 347.374 2.937 50 50 EFGA COc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)c1 290871 CDRMNEWZJATSPM-DEDYPNTBSA-N 337.379 2.586 50 50 EFGA CCOc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1O 2565333 BUXXRYRQLIXOET-VXLYETTFSA-N 348.786 2.973 50 50 EFGA CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)[C@H](C)Cl)CC1 1875380181 HPMCRMWKDJQXIW-UONOGXRCSA-N 330.856 2.863 50 50 EFGA O=C(NNC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 250803 ZVSAAYWOHPHUJM-UHFFFAOYSA-N 334.719 2.715 50 50 EFGA Cc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1 242560 NLMIKGRRXHDHIP-UHFFFAOYSA-N 333.185 2.832 50 50 EFGA COc1cccc(C(=O)NN(C(=O)c2ccccc2N)C(C)(C)C)c1 4054711 VGFSCJWDINDSRH-UHFFFAOYSA-N 341.411 2.863 50 50 EFGA O=C(N/N=C/c1ccccc1O)c1cc(Br)ccc1O 59638 MULGUYWFAXVEDZ-LZYBPNLTSA-N 335.157 2.624 50 50 EFGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)OC(C)(C)C)ccc12 2851646 LFVFAKSARTYAEP-UHFFFAOYSA-N 349.412 2.828 50 50 EFGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccccc1Cl 4283247 ZCEROMCZCQWTIS-KEBDBYFISA-N 329.787 2.529 50 50 EFGA CCc1c(C(=O)NNC(=S)NCc2ccccc2)csc1C 8830433 XWLMOEVGOWVPJP-UHFFFAOYSA-N 333.482 2.928 50 50 EFGA CCCc1n[nH]c2c1[C@H](c1ccc(NC(C)=O)cc1)C(C#N)=C(N)O2 6493347 TVHIJXWMUZIEGQ-OAHLLOKOSA-N 337.383 2.539 50 50 EFGA CCN(CC)c1ccc(/C=N/NC(=O)COc2ccccc2)c(O)c1 112471 TXMXMWQZGMPOMK-DEDYPNTBSA-N 341.411 2.768 50 50 EFGA C/C(Cn1nnc2ccccc21)=N\NC(=O)Cc1ccc(Cl)cc1 5892274 FJKCMTBEURVWQE-XDHOZWIPSA-N 341.802 2.820 50 50 EFGA C[C@H](Cl)C(=O)NC1(C(=O)NCc2cccs2)CCCCC1 1875377920 RGUICPLCRPWTCD-NSHDSACASA-N 328.865 2.811 50 50 EFGA CCCc1n[nH]c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 4631917 UBMABMHCGJTCLL-AWEZNQCLSA-N 340.383 2.598 50 50 EFGA CCN(CC)c1ccc(/C=N/NC(=O)c2c(Cl)c(C)nn2C)cc1 371283 QVRHBIWEJSNASF-YBFXNURJSA-N 347.850 2.992 50 50 EFGA Cc1cc(OCC(=O)NNC(=O)c2ccccc2)cc(C)c1Cl 146584 JGLUGUPOQVBZID-UHFFFAOYSA-N 332.787 2.797 50 50 EFGA COCc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC 372256 NZPHHEUIGKKSGD-KRWDZBQOSA-N 340.379 2.656 50 50 EFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@H]2C1 4074133 KTAHSMRHFRKCBY-IRXDYDNUSA-N 349.463 2.882 50 50 EFGA CCc1c(C(=O)NNC(=S)NC(=O)c2ccccc2)csc1C 6489853 OUSCZPQXQKKVSP-UHFFFAOYSA-N 347.465 2.568 50 50 EFGA O=C(N/N=C/c1cccs1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 72311 SBZWYSDOFXDMMP-CXUHLZMHSA-N 341.352 2.810 50 50 EFGA O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(C(=O)O)cc1 30802362 UFSKUMXVGOZLGA-NVMNQCDNSA-N 332.743 2.567 50 50 EFGA Cn1cccc1/C=N/NC(=O)CSc1nc2ccccc2s1 186709 VORANSNEGYIJMH-CXUHLZMHSA-N 330.438 2.877 50 50 EFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 1959241 AVDQHIQKQLWNMR-LZYBPNLTSA-N 348.702 2.920 50 50 EFGA COc1ccc(COC(=O)NNC(=O)c2cccc(Cl)c2)cc1 436115 RCTGNKROOFRINI-UHFFFAOYSA-N 334.759 2.920 50 50 EFGA O=C(N/N=C\c1ccncc1)[C@@H]1COc2cc3ccccc3cc2O1 32614431 PRHAVSQUVNCPPP-DUQUIBLKSA-N 333.347 2.525 50 50 EFGA O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1cccc([N+](=O)[O-])c1 17071197 SUZANBUJOIFNPF-LSDHHAIUSA-N 340.339 2.551 50 50 EFGA C/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccccc1Cl 5620941 UXQQTSRQTFXULO-WOJGMQOQSA-N 327.775 2.625 50 50 EFGA C=CCOc1ccccc1/C=N/NC(=O)COc1ccccc1OC 2899236 LMDKAZZOGVUZEG-DEDYPNTBSA-N 340.379 2.789 50 50 EFGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccnc1 1428247 UZAJNUKWJKIJBU-AWEZNQCLSA-N 333.372 2.875 50 50 EFGA CCn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)n1 2759162 AFRQLLTYTVSHBF-HNNXBMFYSA-N 326.400 2.662 50 50 EFGA C=CCOc1cccc(/C(C)=N/NC(=O)c2cc(O)cc(O)c2)c1 13322531 PDMLTSYOOAQDTL-XDHOZWIPSA-N 326.352 2.817 50 50 EFGA COc1cccc(OC)c1Oc1ccc(CNC(=O)CCl)cn1 1319785473 COCFYOVZCBALTL-UHFFFAOYSA-N 336.775 2.746 50 50 EFGA C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1C 4360071 IMVIIVPHLWMNLL-DEDYPNTBSA-N 337.379 2.649 50 50 EFGA CCCCN1C(=O)/C(=C/c2ccco2)C(=O)N(CCCCl)C1=O 2027300 YSQGZVQQVVINCL-QBFSEMIESA-N 338.791 2.883 50 50 EFGA Cn1ccc(-c2noc([C@@]3(c4ccccc4)C[C@H]3Br)n2)n1 1875279172 ZBPSUIKPXYTKAJ-IUODEOHRSA-N 345.200 2.923 50 50 EFGA O=C(O)CCSSCCNC(=O)[C@@H]1CCCCC1(F)F 1875388940 WCCBXJAOAYZVFL-VIFPVBQESA-N 327.418 2.784 50 50 EFGA Cc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 5072937 VWNRKRYUJRVZHK-JTQLQIEISA-N 349.177 2.603 50 50 EFGA O=C1C[C@@]2(CCCN(C(=O)CCCC[C@H]3CCSS3)C2)CN1 170643646 MFWKADQPRBLIQI-BBRMVZONSA-N 342.530 2.829 50 50 EFGA CC[C@@H](Br)C(=O)NCCc1ccc(OC)c(OC)c1 266506 KPRODRKMNJZHPW-LLVKDONJSA-N 330.222 2.536 50 50 EFGA biogenic CCOC(=O)c1ccc(NC(=O)NNC(=O)c2sccc2C)cc1 609223 JWUMEIAMRCNRDQ-UHFFFAOYSA-N 347.396 2.700 50 50 EFGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@@H]1CC(=O)N(c2ccccc2)C1 448724 NSXWIXTYZQCRNG-LVCXCXRVSA-N 346.390 2.671 50 50 EFGA Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccc(O)c2)c(C)c1 2098331 MTWWIKBBDDWEEP-UDWIEESQSA-N 339.395 2.878 50 50 EFGA COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1O 487372 MYBLPDCGQJHBGM-RQZCQDPDSA-N 349.184 2.927 50 50 EFGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc(Br)cc1 229360 UMHMPXLBUSYLET-RQZCQDPDSA-N 349.232 2.872 50 50 EFGA C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccccn1 17068191 FQRLRSFNBLZCEG-WOJGMQOQSA-N 332.201 2.927 50 50 EFGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1 9270660 NJQMCOWAICXTKG-UDWIEESQSA-N 335.367 2.634 50 50 EFGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)c1 2902910 XMUYOBDZMZMFFO-UDWIEESQSA-N 339.395 2.907 50 50 EFGA C=CCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 35337212 QEARNHJACYQOMI-WOJGMQOQSA-N 341.323 2.629 50 50 EFGA COc1cccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)c1 4347164 SQQJLFRLLXXNAN-FYJGNVAPSA-N 347.374 2.937 50 50 EFGA Cc1ccccc1C(=O)NNC(=O)c1ccccc1Br 299355 NFRKCJMIGHOORZ-UHFFFAOYSA-N 333.185 2.832 50 50 EFGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1sccc1C 433018 MFHNWTPLJYNSEH-CQSZACIVSA-N 347.465 2.560 50 50 EFGA C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(O)cc1 4677709 OZVOEUQBEJSUEB-LICLKQGHSA-N 326.381 2.998 50 50 EFGA C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C/c1ccnn1C 374462 ZDJULLXLSXXFBP-PCYPHTAMSA-N 341.198 2.645 50 50 EFGA CCOP(=O)(CCOCCOCCBr)OCC 96308245 BYTKSVRXAWIJCM-UHFFFAOYSA-N 333.159 2.681 50 50 EFGA in-vitro COc1ccc(C(=O)NNC(=O)c2cccc(Br)c2)cc1 54852 DHOXKXWRCMIWMO-UHFFFAOYSA-N 349.184 2.533 50 50 EFGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1 495676 GMANWMMPLFOLIP-DOTOQJQBSA-N 349.463 2.883 50 50 EFGA COc1cccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1O 435225 BBZOWPHVRHDMST-VXLYETTFSA-N 328.368 2.547 50 50 EFGA CC(=O)NNc1nc(C)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 5678666 SDNLYJROEVMSGH-VMPITWQZSA-N 346.368 2.719 50 50 EFGA O=C1C(O)=C(CN(CCCl)CCCl)C(=O)c2ccccc21 1664646 WXEZVFMSDMREIY-UHFFFAOYSA-N 328.195 2.657 50 50 EFGA Cc1ccc2c(c1)/C(=N/NC(=O)c1ccc(Cl)cc1)C(=O)N2C 100321793 JXYKTCCCMGPAKS-CYVLTUHYSA-N 327.771 2.759 50 50 EFGA C#CCOCCOCCOCCOCCO[Si](C)(C)C(C)(C)C 170176875 NVHJBVPAABUHIU-UHFFFAOYSA-N 346.540 2.708 50 50 EFGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 13304111 GWOYREKUTVSBTB-MHWRWJLKSA-N 328.284 2.657 50 50 EFGA CC(C)(C)c1ccc(OCC(=O)NNC(=O)Cc2cccs2)cc1 1197753 IDWBHALQTHQDTO-UHFFFAOYSA-N 346.452 2.815 50 50 EFGA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(C)=O 6820982 XHUKMIGOBGOGGX-UHFFFAOYSA-N 349.437 2.539 50 50 EFGA C[C@H](Cl)C(=O)N[C@H]1CCc2nc(-c3cc(F)ccc3F)cn2C1 1875378055 UXDYJOJIHSJCRO-ONGXEEELSA-N 339.773 2.887 50 50 EFGA COc1ccc(COC(=O)NNC(=O)c2ccccc2Cl)cc1 436220 BUHKXKDKPHMZAF-UHFFFAOYSA-N 334.759 2.920 50 50 EFGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccc2ccccc12 4038111 DCECXXVEKNNRNY-QGZVFWFLSA-N 346.342 2.503 50 50 EFGA biogenic,in-vitro N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(O)c1 2472061 PWRGWYBCBVJYRX-HNNXBMFYSA-N 332.315 2.717 50 50 EFGA COc1cc(N(Cc2cnn(C)c2)C(=O)CCl)ccc1Cl 1875375544 DGJYGMICMFOSKE-UHFFFAOYSA-N 328.199 2.854 50 50 EFGA O=C(CI)Nc1ccc(Br)cc1 1761855 KZEZEXWEHMUXPI-UHFFFAOYSA-N 339.958 2.823 50 50 EFGA O=C(N/N=C/c1cccc(Cl)c1)c1c(O)[nH]c2ccccc2c1=O 2390857 YTVIBTCMPHANDK-DJKKODMXSA-N 341.754 2.651 50 50 EFGA N#Cc1ccc(/C=N/NC(=O)CS[C@@H]2Nc3ccccc3O2)cc1 2325809517 DONGNKHORJXYGR-OXNWSPOFSA-N 338.392 2.530 50 50 EFGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Cl)c1O 469957 JZOXQRIZRFISLH-CYBMUJFWSA-N 346.770 2.869 50 50 EFGA O=C(N/N=C/c1cccs1)c1ccc(Br)cc1O 126287 CGZFNBXRYXCQIG-VGOFMYFVSA-N 325.187 2.980 50 50 EFGA Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 4372893 XASHRNJGIMGYGK-VBEHJTROSA-N 327.340 2.821 50 50 EFGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)c1O 12338701 CJTOOKQHRIUKGA-VCHYOVAHSA-N 340.339 2.538 50 50 EFGA COc1ccc(Cc2nnc(NC(=O)C(Cl)Cl)s2)cc1 73974 SJKWETAEUZHLRK-UHFFFAOYSA-N 332.212 2.880 50 50 EFGA Cn1cccc1CNC(=O)[C@]1(c2ccccc2)C[C@@H]1Br 1148114251 SFTXZPYELPTBRB-HOCLYGCPSA-N 333.229 2.747 50 50 EFGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)o1 4086411 LYYKRKRSZRKROH-SRZZPIQSSA-N 335.363 2.621 50 50 EFGA O=C1Nc2ccccc2/C1=N\NC(=O)c1cc2ccccc2cc1O 5093953 YYYSAPYHFUIDIW-UHFFFAOYSA-N 331.331 2.632 50 50 EFGA C[C@H](Cl)C(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1 1875377888 QJJLLZCVWJMLAL-JQWIXIFHSA-N 337.811 2.541 50 50 EFGA Cc1ccc(OCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1C 524811 GCVITEDCQKSBJM-SRZZPIQSSA-N 349.390 2.674 50 50 EFGA Cc1nn(C)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 212229143 IJCMHHSFXFMZAI-CYBMUJFWSA-N 334.301 2.966 50 50 EFGA in-vitro CC1=NN=C(O)[C@@H]1CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 9357539 DVKGXWUGXDRWTM-JPEBENEDSA-N 327.171 2.796 50 50 EFGA N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1ccc(F)cc1 91199 OHBPHEISTUCUBK-CQSZACIVSA-N 333.326 2.829 50 50 EFGA C=CCc1cccc(/C=N/NC(=O)Cn2c(C)nc3ccccc32)c1O 5318827 LFDFUWQLVHFVMJ-CIAFOILYSA-N 348.406 2.929 50 50 EFGA CCCc1n[nH]c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 32540518 UGLLTZMPZFKQAV-HNNXBMFYSA-N 340.383 2.598 50 50 EFGA COc1ccccc1/C=N/NC(=O)[C@H](C)Cn1cnc2ccccc21 544660 HGACQYGBLCDJOE-VPNURPJOSA-N 336.395 2.831 50 50 EFGA CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OCC 247197 RDMQILHMHPNZFJ-AAGJOFLKSA-N 344.411 2.686 50 50 EFGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1nnc(O)c2ccccc12 1875254067 INPXSUSWMXBGGW-HEZGOONSSA-N 336.395 2.877 50 50 EFGA CCCNC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1 3086076 FKCILQSWQQZKDT-UDWIEESQSA-N 340.383 2.688 50 50 EFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@H]2C1 16034172 JXBPZGRQWCDKGJ-DOTOQJQBSA-N 349.825 2.695 50 50 EFGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1 2572295 ASPJNDJYYQSCBM-YBFXNURJSA-N 329.787 2.991 50 50 EFGA CCNC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1Cl 5952572 HJXTWEWMJLRLAK-UHFFFAOYSA-N 347.802 2.883 50 50 EFGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2Cl)cc1 2509129 RBXYFJXWBGYNST-KEBDBYFISA-N 329.787 2.529 50 50 EFGA Cc1ccc2c(c1)OC/C2=N\NC(=O)COc1ccc(Cl)cc1 19925219 OIHGVIVOCNJNPQ-XDJHFCHBSA-N 330.771 2.940 50 50 EFGA C[C@H](Cl)C(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F 1875363641 OUIVXZJIMBNBKK-VHSXEESVSA-N 339.741 2.531 50 50 EFGA O=C(Cn1nnc2ccccc21)N/N=C/c1cccc(Cl)c1Cl 381553 KAIKUBVSCGQRLG-QGMBQPNBSA-N 348.193 2.888 50 50 EFGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(F)c2)[C@H]2CSCC=C12 20598178 JWUYAWQXVCDGMQ-HOTGVXAUSA-N 336.395 2.982 50 50 EFGA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCl)cc1 20466403 NISPFLIZLROMEG-CYBMUJFWSA-N 344.864 2.817 50 50 EFGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1959387 WNNJAEFWNIGYRY-LZYBPNLTSA-N 348.702 2.920 50 50 EFGA C=CCc1cccc(/C=N/NC(=O)COc2ccccc2OC)c1O 436763 JRECZKUNBGGQNK-UDWIEESQSA-N 340.379 2.658 50 50 EFGA O=C(CNC(=O)Nc1ccc(F)cc1)N/N=C/C=C/c1ccccc1 2141317 ZCSDNJMOESLCHT-HJETYCPDSA-N 340.358 2.763 50 50 EFGA CCOC(=O)/C(C#N)=C1\SS/C(=C(/C#N)C(=O)OCC)S1 13152631 BJEFMLAPLDTDNB-OXAWKVHCSA-N 342.423 2.711 50 50 EFGA Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccncc1)C(C#N)=C(N)O2 88429 WMXORYQRWGPQOF-KRWDZBQOSA-N 329.363 2.794 50 50 EFGA CNC(=S)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1 7059256 HVDNHLCCSQLFMJ-CQSZACIVSA-N 331.466 2.645 50 50 EFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1 1426896 PIZOUDFQBDSZCO-INIZCTEOSA-N 347.349 2.896 50 50 EFGA O=C(OCc1ccccc1)N1CC[C@@H](I)C1 79436608 PHSGVWBPCLSEFX-LLVKDONJSA-N 331.153 2.833 50 50 EFGA C[C@@](O)(C(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccccc1 291310 SZKUHCTUAVXXPG-DZSVRRGNSA-N 334.375 2.903 50 50 EFGA C/C(=N\NC(=O)COc1ccc(C)cc1C)c1cc(O)ccc1O 5362711 DZYFNWSIQBFEIG-CPNJWEJPSA-N 328.368 2.634 50 50 EFGA CC[C@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)[C@H](C)Cl 1875377184 AOQJKIDOANKFSL-QWHCGFSZSA-N 331.865 2.599 50 50 EFGA COc1cc(/C=N/NC(=O)CNc2cccc(Cl)c2)ccc1O 234714 SKOWXCYUOIFGAY-DJKKODMXSA-N 333.775 2.616 50 50 EFGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)[nH]n2)cc1 5296002 QCKWIXSVDXLJKA-UDWIEESQSA-N 335.367 2.634 50 50 EFGA O=C1O[C@H]2[C@H]3C[C@H]([C@H]2I)[C@H](c2ccccc2)[C@@H]13 254393367 HSYRRILDTLPLIV-RJRAAQABSA-N 340.160 2.765 50 50 EFGA CCOc1cccc(/C=N/NC(=O)CNc2ccc(C)cc2)c1O 274209 OQPXOJUOZTYPFT-RGVLZGJSSA-N 327.384 2.662 50 50 EFGA CC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)[C@@H](C)Cl 1875377181 AOQJKIDOANKFSL-OLZOCXBDSA-N 331.865 2.599 50 50 EFGA Cn1c(SCC(=O)N/N=C/c2cccc(O)c2)nc2ccccc21 186597 YIQXAVQBAGSCOH-VCHYOVAHSA-N 340.408 2.521 50 50 EFGA CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1O 354659 MFVXBBYBJMLBNC-YBFXNURJSA-N 328.368 2.628 50 50 EFGA O=C1C[C@]2(C[C@H](Cl)N=N2)C(=O)N1c1ccc(Br)cc1 4698183 LPSVVRZVYWYOIT-BXKDBHETSA-N 342.580 2.872 50 50 EFGA NNC(=O)[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 23115415 USHSXYIVPWRWHA-MRXNPFEDSA-N 325.412 2.681 50 50 EFGA CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(B(O)O)cnc21 575628950 HDGCIASUQDJZLL-UHFFFAOYSA-N 336.292 2.879 50 50 EFGA O=C(NCc1ccc(F)cc1)c1cc2ncc(CCCl)cn2n1 374115 OSRFDOYFPJXNKJ-UHFFFAOYSA-N 332.766 2.580 50 50 EFGA C=CCc1cccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)c1O 381631 YTMGPCQANKHWHS-YBFXNURJSA-N 326.400 2.544 50 50 EFGA CN1CC=C2[C@H](C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 998141 PJKGAOPDWIODDM-WMLDXEAASA-N 349.825 2.695 50 50 EFGA CC(/C=C/c1ccccc1)=N\NC(=O)c1nc2nc(C)cc(C)n2n1 195964 JPKHRLMFFDMVNL-SGXCZKNVSA-N 334.383 2.560 50 50 EFGA O=C(/C=C/c1ccccc1)NNC(=O)c1cccc(Br)c1 299077 SUOXMEUESSIQKN-MDZDMXLPSA-N 345.196 2.924 50 50 EFGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)cc1 4372775 XNYJCTTXBFLNFR-UDWIEESQSA-N 342.395 2.970 50 50 EFGA O=S(=O)(c1ccccc1)N1[C@@H]2CC=CC=C[C@@H](Br)[C@@H]21 71785417 JOAGTKIFZPWHRX-GODZRQRCSA-N 340.242 2.708 50 50 EFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCC)cc1 43571 GMGFTZKDXQGKCR-MRXNPFEDSA-N 328.368 2.730 50 50 EFGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 196620 YIFKSGVWRUTYNU-INIZCTEOSA-N 326.352 2.519 50 50 EFGA Cc1cc(C)n(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)n1 124484 WWRAUWOAXWJAPM-REZTVBANSA-N 325.199 2.957 50 50 EFGA CCCCCCO[C@@H](C)C(=O)NCCSSCCC(=O)O 1875355002 XBEDNWFYOSLYHI-LBPRGKRZSA-N 337.507 2.944 50 50 EFGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(C(F)(F)F)cc1 436554 JGZJFANUYPISON-REZTVBANSA-N 327.218 2.971 50 50 EFGA Cn1ccnc1-c1noc([C@]2(c3ccccc3)C[C@H]2Br)n1 1775993302 PSLRVCZGDGECNW-ABAIWWIYSA-N 345.200 2.923 50 50 EFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccccc1OC 283257 REHSNYKEPSYMGR-HNNXBMFYSA-N 328.368 2.730 50 50 EFGA CCCC(=O)NC(=O)/C(C#N)=C/Nc1cccc(Br)c1 2027143 FWXGGGHCWWTZSI-MDZDMXLPSA-N 336.189 2.711 50 50 EFGA C/C(=N\NC(=O)COc1cccc(C)c1)c1ccc([N+](=O)[O-])cc1 580511 JQXUKOJKVAURDO-QGOAFFKASA-N 327.340 2.822 50 50 EFGA O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1 4893147 WWWOWAJIUKSNRG-UHFFFAOYSA-N 343.383 2.572 50 50 EFGA N#Cc1ccc(NNC(=O)c2ccc(C#N)c(O)c2)c(C(F)(F)F)c1 799752596 QABDCZFDMMGGOX-UHFFFAOYSA-N 346.268 2.911 50 50 EFGA O=C(Cn1nnc2ccccc21)N/N=C/c1c(Cl)cccc1Cl 381557 FYEQAZAEKRADGR-QGMBQPNBSA-N 348.193 2.888 50 50 EFGA N#C/C(=C\c1cn(CC(N)=O)c2ccccc12)C(=O)Nc1ccccc1 367454 LCUYFOKGCDDMNO-GXDHUFHOSA-N 344.374 2.672 50 50 EFGA COc1ccc(OCC(=O)N/N=C/c2cccc3cccnc23)cc1 434859 VCONWJYQGFEVNW-CIAFOILYSA-N 335.363 2.773 50 50 EFGA CO[Si](CCCCCCCCCCCNCCN)(OC)OC 170013050 MNEXIOKPOFUXLA-UHFFFAOYSA-N 334.577 2.924 50 50 EFGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)cc1 5018654 JHTBVBWKPUZBJB-LICLKQGHSA-N 326.381 2.911 50 50 EFGA Cc1sccc1CN(C[C@](C)(O)C(F)(F)F)C(=O)CCl 1875382761 PLBFKCGBXBYELM-NSHDSACASA-N 329.771 2.937 50 50 EFGA COC(=O)N1[C@]2(C)C[C@H](Br)[C@H](Br)C[C@@]12C 101042686 YTEVIEXXRRVNPO-XHUQMMRNSA-N 341.043 2.907 50 50 EFGA C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cccnc1 5009717 SJMLKFCXSQENJI-RQZCQDPDSA-N 334.173 2.704 50 50 EFGA O=C(N[C@@H](C(Cl)Cl)N1CCOCC1)c1ccc(Cl)cc1 4831558 NJKVJXRSMWZPEN-GFCCVEGCSA-N 337.634 2.532 50 50 EFGA CCOc1ccc(OC)cc1/C=N/NC(=O)COc1cccc(C)c1 4956144 AEWHSDUCQDWFSS-UDWIEESQSA-N 342.395 2.931 50 50 EFGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)cc1 9302063 VGRGBWWVVHTABU-YBFXNURJSA-N 336.351 2.555 50 50 EFGA COCc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)ccc1OC 370740 KJCVGGHARKSLKY-UDWIEESQSA-N 342.395 2.543 50 50 EFGA O=C(N/N=C/c1ccccc1Br)c1n[nH]c2c1CCCC2 186655 DYMDVTODFKTEDJ-RQZCQDPDSA-N 347.216 2.815 50 50 EFGA O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1ccccc1Cl 2553381 GATCVZXFVZQSEK-KEBDBYFISA-N 340.770 2.910 50 50 EFGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1 182583 KZMBDFRDCGEJKJ-LJQANCHMSA-N 348.406 2.929 50 50 EFGA C[C@H](Cl)C(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2)C1 1875374190 DYSQGTTXFNZLDT-RYUDHWBXSA-N 341.814 2.813 50 50 EFGA O=C(COc1ccccc1Cl)N/N=C/c1ccc([N+](=O)[O-])cc1 566475 YTERVXYMBJIHDL-RQZCQDPDSA-N 333.731 2.777 50 50 EFGA COC(=O)/C(CC(=O)C(C)(C)C)=N/NC(=O)c1ccc(Cl)cc1 17186008 JHUFWFUUOIKKPE-LDADJPATSA-N 338.791 2.604 50 50 EFGA COc1ccccc1CN/C(C)=C(/C#N)C(=O)NCc1ccccc1 4785237 YRGNAMCRFUTEPD-SDXDJHTJSA-N 335.407 2.899 50 50 EFGA CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1c(F)cccc1Cl 32919338 LRWKEWCMOAQDGS-LBPRGKRZSA-N 347.173 2.889 50 50 EFGA CC[C@@H](CCl)NC(=O)c1cccc(C(=O)N[C@H](CC)CCl)n1 336093 LNJRVGTVRPXVJN-PHIMTYICSA-N 346.258 2.576 50 50 EFGA N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@H]1c1ccccc1F 91451 XWGDOSVVASYLQE-AWEZNQCLSA-N 333.326 2.829 50 50 EFGA Cc1ccc(C(=O)/C=C/NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 2893239 DRTZHQVLYXMLCG-MDZDMXLPSA-N 325.324 2.534 50 50 EFGA C[C@H](Cl)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1875364838 VKGXGEDRSIFCGB-ZDUSSCGKSA-N 333.819 2.613 50 50 EFGA O=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC1)C[C@@H]2Br 1775993847 MOLBUIYFMDGWMI-LBPRGKRZSA-N 339.189 2.984 50 50 EFGA Nc1nonc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12 51644 CVOFGXQAPUQZAM-KEBDBYFISA-N 331.335 2.722 50 50 EFGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccs2)C2=C1CC(C)(C)CC2=O 72411 ZMBFYTOJFYKXFM-HNNXBMFYSA-N 342.468 2.961 50 50 EFGA C=CCc1cccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c1O 9008678 JRFJENPKQBOWSQ-YBFXNURJSA-N 326.400 2.905 50 50 EFGA C[C@@H](NC(=S)NNC(=O)CCc1ccccc1)c1ccccc1 6525395 HPDLXRKTELKTKE-CQSZACIVSA-N 327.453 2.876 50 50 EFGA COc1cccc(NC(=O)C(=O)N/N=C(C)/C=C/c2ccccc2)c1 43639793 UIMZNNPEVBIRAN-BYZGDSIHSA-N 337.379 2.839 50 50 EFGA C[C@@H](Cl)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 1875377656 KIGBLCAHMXVJCD-KOLCDFICSA-N 348.752 2.550 50 50 EFGA CCOc1ccccc1/C=N/NC(=O)CSc1nc(C)cc(C)n1 186593 WOXXFSIMTXQBAQ-VCHYOVAHSA-N 344.440 2.735 50 50 EFGA CC(C)NC(=O)/C(C#N)=C\c1ccc(N(C)C)c(Br)c1 4498467 FDEDAMPIZZBCAQ-GHXNOFRVSA-N 336.233 2.947 50 50 EFGA CCOC(=O)C1=C(N)OC(CCl)=C(C#N)[C@H]1c1ccc(F)cc1 2795996 APBDDSFBWFIDGJ-CYBMUJFWSA-N 336.750 2.689 50 50 EFGA COc1cc(/C=N/NC(=O)c2cccc(C)c2)c([N+](=O)[O-])cc1OC 271295 GACZWDHKPBWDFF-VCHYOVAHSA-N 343.339 2.684 50 50 EFGA O=C(Cc1cccs1)N/N=C/c1cc(Br)ccc1O 12558898 OGKNEGABTCKPRL-OVCLIPMQSA-N 339.214 2.909 50 50 EFGA C/C(=N\NC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)O 13827811 IRJQWZWMQCVOLA-DNTJNYDQSA-N 334.282 2.604 50 50 EFGA O=C(N/N=C/c1ccc(Br)cc1)c1cc(O)ccc1O 13321381 HEKTYJCCAGMEDO-LZYBPNLTSA-N 335.157 2.624 50 50 EFGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 291205 MWVCFXCVAWYSMB-HGMDMCOWSA-N 335.363 2.766 50 50 EFGA COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(Cl)cc1 478840 HYBZMDLVPQWAAG-DJKKODMXSA-N 347.758 2.570 50 50 EFGA O=C1[C@H](Cl)O[C@](O)(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]12Cl 5941996 BZGQLKJNISWUDN-UCROKIRRSA-N 346.808 2.694 50 50 EFGA Cc1cccc2c1NC(=O)/C2=N\NC(=O)c1cc2ccccc2nc1C 13476640 PUPLKMFOEMRPHR-UHFFFAOYSA-N 344.374 2.938 50 50 EFGA CN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@@H]2C1 231382160 ZEHUQTHLSUQWEG-NJAFHUGGSA-N 349.825 2.694 50 50 EFGA Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)C(C#N)=C(N)O2 88422 WMXORYQRWGPQOF-QGZVFWFLSA-N 329.363 2.794 50 50 EFGA COc1nccnc1NNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 131947051 ULZOQTJVBFGOPS-FGKMVVGBSA-N 330.432 2.925 50 50 EFGA C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)[C@@H](C)Cl 1875363677 ROAIPSQPFYSWSH-CHWSQXEVSA-N 337.851 2.747 50 50 EFGA CC(C)(C)C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 2886269 PARYXWHDTYLTQP-UHFFFAOYSA-N 348.255 2.675 50 50 EFGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2)cc1 2519902 MGLKUOPUQJIVGR-UDWIEESQSA-N 341.367 2.697 50 50 EFGA N#CC1=C(N)[C@](C#N)(c2ccc([N+](=O)[O-])cc2)[C@@H](C#N)[C@H]2CCCC=C12 19827351 FZNFUVUESUJZPJ-VDZJLULYSA-N 345.362 2.972 50 50 EFGA CCc1c(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)csc1C 5060439 BSKCUWULLQVIPJ-UHFFFAOYSA-N 348.384 2.994 50 50 EFGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 4312729 HGXBAPBGIQXDEV-DEDYPNTBSA-N 333.395 2.907 50 50 EFGA COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2)cc1 100338946 LLMRPFDMOGEGSQ-DEDYPNTBSA-N 325.368 2.830 50 50 EFGA COc1ccccc1/C=N/NC(=O)[C@@H](C)Sc1nc(C)cc(C)n1 188493 ZHLTZHQTOUDDPX-HVOBPNNYSA-N 344.440 2.733 50 50 EFGA CN(C)N1C(N)=C(C#N)[C@H](c2ccsc2)C2=C1CC(C)(C)CC2=O 72398 WKEKXOFWVFGEEK-HNNXBMFYSA-N 342.468 2.961 50 50 EFGA O=C(COc1ccccc1Cl)N/N=C/c1ccc2c(c1)OCO2 566698 CVDLAXCOXRLGNC-QGMBQPNBSA-N 332.743 2.598 50 50 EFGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(F)c2)[C@@H]2CSCC=C12 20598179 JWUYAWQXVCDGMQ-CVEARBPZSA-N 336.395 2.982 50 50 EFGA O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)CCl)C1)c1ccccc1 1875375280 XAKGHVZMCXVWOQ-ZDUSSCGKSA-N 346.818 2.607 50 50 EFGA C[C@@H](Cl)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 1875377380 DFPNDLXKSVLDQL-YUELXQCFSA-N 326.868 2.786 50 50 EFGA COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)c1 91175 YJNRSCUAVMMKAC-HNNXBMFYSA-N 345.362 2.698 50 50 EFGA CCCC[C@H](c1ccccc1)c1nc(-c2ccc(B(O)O)cc2)no1 606241693 YYRWOXGGRGJEOP-QGZVFWFLSA-N 336.200 2.739 50 50 EFGA CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)CCl 1875369727 CVTVVHGFTYBABV-AWEZNQCLSA-N 338.835 2.703 50 50 EFGA O=C(Cc1ncc(C(F)(F)F)cc1Cl)NNc1cccc(F)n1 1407136 AQFBSTJKGCSIHY-UHFFFAOYSA-N 348.687 2.974 50 50 EFGA Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cc(O)cc(O)c2)cc1 13322086 KXTLUUCWVGMOFP-KEBDBYFISA-N 336.351 2.560 50 50 EFGA OB(O)c1cccc(COc2cc(C(F)(F)F)ccc2Cl)c1 169877338 IRBNKOHBJCGIFU-UHFFFAOYSA-N 330.498 2.618 50 50 EFGA in-vitro O=C(NN=C1CCCCCC1)c1ccc(CN2CCOCC2)cc1 19770702 MTPGHVVKPYDIMW-UHFFFAOYSA-N 329.444 2.959 50 50 EFGA Cc1ccc(C(=O)NNC(=O)[C@H]2Cc3c(ccc4ccccc34)O2)cc1 1394579 YPUXAJCUYCVLAJ-LJQANCHMSA-N 346.386 2.913 50 50 EFGA CCCCNC(=O)NNC(=O)CSCc1ccc(F)cc1Cl 17072317 LPUMJNNEILNRTO-UHFFFAOYSA-N 347.843 2.843 50 50 EFGA C[C@@H](Cl)C(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 169908549 CTTUCRCMIGACRJ-QLFDAEIZSA-N 338.879 2.501 50 50 EFGA C[C@H]1C=CCC(C)(C)[C@H]1C(=O)C[C@@H](C)NNC(=O)c1ccncc1 5041601 DFOMBGOIZRDJAG-JJRVBVJISA-N 329.444 2.902 50 50 EFGA CC1(C)Cc2c(sc3ncnc(NNC(=O)c4ccco4)c23)CO1 434276 QDIDFLVMIZWFMI-UHFFFAOYSA-N 344.396 2.893 50 50 EFGA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)C1 8183781 DKSMJHNBYPZHJS-VXGBXAGGSA-N 344.864 2.531 50 50 EFGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1cccnc1 1428248 UZAJNUKWJKIJBU-CQSZACIVSA-N 333.372 2.875 50 50 EFGA Cc1ccccc1/C=N/NC(=O)c1nn(C)c(C)c1Br 17070574 GIEMXZXVAGKVPC-LZYBPNLTSA-N 335.205 2.563 50 50 EFGA O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccccn1 359112 WHGZGSVMCJFTBI-UDWIEESQSA-N 335.319 2.658 50 50 EFGA C[C@@H](Cl)C(=O)N[C@H]1CCc2nc(-c3cc(F)ccc3F)cn2C1 1875378053 UXDYJOJIHSJCRO-KOLCDFICSA-N 339.773 2.887 50 50 EFGA CNC(=S)NNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 6846656 LCVCDTHFTPXMAJ-UHFFFAOYSA-N 340.408 2.542 50 50 EFGA CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 288991 JLRSANOVAAJOLA-FXFXYLOPSA-N 327.428 2.735 50 50 EFGA CCn1c(SCC(=O)N/N=C/c2ccco2)nc2ccccc21 5297277 FITQXOPKJRTHTF-LICLKQGHSA-N 328.397 2.892 50 50 EFGA N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(N)=O 122447 XBDBTAQTJSTHBG-FMIVXFBMSA-N 325.755 2.985 50 50 EFGA CNC(=S)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 6734726 LZHWHRQRNYRPKH-UHFFFAOYSA-N 336.420 2.641 50 50 EFGA CC(C)C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 3132002 YIPHXXJNZRKAAH-LDADJPATSA-N 346.408 2.560 50 50 EFGA CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1NC(=O)CCl 1875369907 PONISFCDKBGDCI-YPMHNXCESA-N 330.856 2.815 50 50 EFGA COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2O)c([N+](=O)[O-])c1 334162612 COARXSYOKGLVFX-WQLSENKSSA-N 339.307 2.855 50 50 EFGA COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc(OC)c1OC 245238690 YTBVKQCZRNEDCW-HUQCFVBDSA-N 332.400 2.599 50 50 EFGA O=C(NNC(=O)c1ncccc1Cl)c1ccc(Cl)cc1F 794365823 LDWMMGNPJXCVDU-UHFFFAOYSA-N 328.130 2.602 50 50 EFGA O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(C(F)(F)F)cc1 5905596 RHEHMZXCCHXTIZ-AWQFTUOYSA-N 347.300 2.600 50 50 EFGA CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@@H](C)Cl)cn1 1875375605 FUDMIQHFFZUUFA-CJNGLKHVSA-N 335.835 2.593 50 50 EFGA Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccncc1)C(C#N)=C(N)O2 273756 KZHUCPAYQDPBSZ-SFHVURJKSA-N 343.390 2.853 50 50 EFGA COc1cccc(C(=O)NNC(=O)c2cccc(Br)c2)c1 299883 UBFPYFMTYXXKDQ-UHFFFAOYSA-N 349.184 2.533 50 50 EFGA O=C(CN1CCSCC1)N/N=C/c1ccc(-c2ccccc2)cc1 283435 VUZPADGKGAWIGT-XSFVSMFZSA-N 339.464 2.853 50 50 EFGA C[C@@H](Cl)C(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1 1875377889 QJJLLZCVWJMLAL-PWSUYJOCSA-N 337.811 2.541 50 50 EFGA CCCc1n[nH]c2c1[C@@H](c1ccc(NC(C)=O)cc1)C(C#N)=C(N)O2 6493345 TVHIJXWMUZIEGQ-HNNXBMFYSA-N 337.383 2.539 50 50 EFGA CN(C)NC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 3069952 OWCKFLRXYJWWKV-UHFFFAOYSA-N 326.183 2.759 50 50 EFGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccsc4)[C@@H]3[C@H]1CC2 149594268 FJJCTRCHQLJSEN-VDNDLQMASA-N 347.447 2.634 50 50 EFGA O=C(Cn1cnc2ccccc21)N/N=C/c1c(F)cccc1Cl 228786 BJWKQWGQCAWFAI-DNTJNYDQSA-N 330.750 2.979 50 50 EFGA CCOc1ccc(NC(=O)C(=O)N/N=C/C=C/c2ccccc2)cc1 4259533 HFFFYGWRBZZQGT-KEAYEENMSA-N 337.379 2.839 50 50 EFGA CCOc1cccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c1O 5403136 FNLKCYYLPVTPIH-VCHYOVAHSA-N 330.388 2.575 50 50 EFGA C/C(=N\NC(=O)Cc1cccn1C)c1cccc(Br)c1 4483005 CXLIITHOISYCPH-GZTJUZNOSA-N 334.217 2.871 50 50 EFGA Cc1cc(/C=N/NC(=O)c2ccsc2)c(C)n1-c1cnccn1 4109960 BERJKSIBMKTWET-UFWORHAWSA-N 325.397 2.710 50 50 EFGA COC(=O)c1c(F)cccc1NNC(=O)c1cnn(CC(C)C)c1C 408516199 XYGDIWFWACSJQU-UHFFFAOYSA-N 348.378 2.530 50 50 EFGA C[C@H](Cl)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 1875363753 XWBNPJLZSYQMSQ-ZDUSSCGKSA-N 330.815 2.752 50 50 EFGA CS(=O)(=O)c1cc(Br)ccc1CBr 154141 PJFOHHNHJUOESV-UHFFFAOYSA-N 328.025 2.748 50 50 EFGA in-vitro O=C(CN1CCCCCC1)N/N=C/c1ccc(Br)s1 4990481 YDYNSPKKPHTERW-OQLLNIDSSA-N 344.278 2.837 50 50 EFGA Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 566314 XRLMWAVFKREXAH-VCHYOVAHSA-N 327.340 2.741 50 50 EFGA CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2Cl)C2=C1CCCC2=O 72347 ABEVPTIRWDFIDX-INIZCTEOSA-N 342.830 2.917 50 50 EFGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 4593449 JSQUMGQCQQTPJS-MRXNPFEDSA-N 336.347 2.731 50 50 EFGA COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1C(=O)O 4974056 NREUYNCSBGDFLU-WQLSENKSSA-N 338.319 2.645 50 50 EFGA CCn1nc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C 372254 ZVBGJHOFLZEVIT-MRXNPFEDSA-N 340.427 2.971 50 50 EFGA Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccc(Br)cc1 447767 UQARDOTYDMMWDM-CAOOACKPSA-N 335.205 2.859 50 50 EFGA COc1ccc(/C(C)=N\NC(=O)CNc2ccccc2C)cc1OC 4982030 XUEADYDTBRKDOG-STZFKDTASA-N 341.411 2.965 50 50 EFGA Cc1nn(C)cc1/C=N/NC(=O)C(C)(C)Oc1ccc(Cl)cc1 374542 AVUWXPTUBUDVBQ-GIJQJNRQSA-N 334.807 2.690 50 50 EFGA C[C@@H](Cl)C(=O)N1CCC[C@H](CNC(=O)Nc2ccc(F)cc2)C1 1875374191 DYSQGTTXFNZLDT-VXGBXAGGSA-N 341.814 2.813 50 50 EFGA O=C(N/N=C/c1ccc(O)cc1)c1n[nH]c2c1CCc1ccccc1-2 5313664 BFOHVHXZHBQBNJ-RGVLZGJSSA-N 332.363 2.645 50 50 EFGA CSc1nnc(CCCNC(=O)[C@@H](C)Cl)n1C1CCCC1 1875363781 AANGFOJWGUFEJX-SNVBAGLBSA-N 330.885 2.791 50 50 EFGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC 70992 CSSXJVCMPZLGJK-MRXNPFEDSA-N 326.352 2.519 50 50 EFGA O=C(Cc1cccs1)NNC(=S)NCc1ccc(Cl)cc1 609473 IYPPQSUPZUCBSK-UHFFFAOYSA-N 339.873 2.640 50 50 EFGA Cc1n[nH]c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 32513703 VPLUTCSIJJHFIH-LBPRGKRZSA-N 331.173 2.699 50 50 EFGA O=C(NCC(Cl)Cl)Nc1ccc(F)nc1Br 1775993593 HEXBGZWDHDRSCL-UHFFFAOYSA-N 330.972 2.908 50 50 EFGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Cl)cc2)n1 3130324 PXBUXLZRHYSXNR-CAOOACKPSA-N 334.832 2.989 50 50 EFGA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)NN 254546587 VVTXMFGLOIFEKN-OHZYOOSQSA-N 332.488 2.916 50 50 EFGA C[C@H](Cl)C(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2 1875378117 VVPQWUQARUMVAN-QEJZJMRPSA-N 334.847 2.908 50 50 EFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1Cl)OCO2 408243 UHVLHXJBIDQGRO-ZDUSSCGKSA-N 344.754 2.883 50 50 EFGA COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccco2)c1 1392918 FMYOTJVOKHQZMG-VIZOYTHASA-N 339.145 2.520 50 50 EFGA O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1cncc(Br)c1 32666336 ONYRMWPBJFQUQC-SOFYXZRVSA-N 349.144 2.516 50 50 EFGA Cc1nc2[nH]c(C(=O)NCCSSCCC(=O)O)cc2s1 1875388583 HKJZQMLTFSJPRI-UHFFFAOYSA-N 345.471 2.519 50 50 EFGA CCCNC(=O)NNC(=O)c1ccc(COc2cc(C)cc(C)c2)o1 17071990 JVTLXQGYFDQYGS-UHFFFAOYSA-N 345.399 2.829 50 50 EFGA CCc1ccc(OCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229212 ROYMIYOWRXXHAH-CIAFOILYSA-N 349.390 2.620 50 50 EFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1coc2ccccc2c1=O 2821088 GZQRQWVBINLKBF-DYZYQPBXSA-N 348.358 2.854 50 50 EFGA COc1ccc(C(=O)N/N=C2\C(=O)Nc3c2ccc(Cl)c3C)cc1 6556441 QPLYSTRRSZENJH-UHFFFAOYSA-N 343.770 2.743 50 50 EFGA N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCO2 17070678 HEFSSBGXBBBOGR-LFYBBSHMSA-N 336.303 2.690 50 50 EFGA Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2cccnc2)c1Cl 19638197 NEWZLXRCASXNRT-BLLMUTORSA-N 344.589 2.783 50 50 EFGA C/C(CCn1c(=O)sc2ccccc21)=N\NC(=O)c1ccncc1 5494692 RUQUPZNQLRJFJR-XDHOZWIPSA-N 340.408 2.654 50 50 EFGA Cn1ccnc1-c1noc([C@]2(c3ccccc3)C[C@@H]2Br)n1 1775993310 PSLRVCZGDGECNW-NHYWBVRUSA-N 345.200 2.923 50 50 EFGA O=C(NNC(=S)Nc1ccccc1C(F)(F)F)c1ccccn1 611001 ASVKZPIPLOBCCU-UHFFFAOYSA-N 340.330 2.732 50 50 EFGA C[C@H](Cl)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 1875364586 XFVJFFYJQGNGDW-RYUDHWBXSA-N 343.254 2.569 50 50 EFGA Cc1cccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2)c1 17067972 ZPJWOFVVFFJJBU-GFCCVEGCSA-N 331.347 2.754 50 50 EFGA C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1cccnc1 13595808 GRNNHVFQZOZGJB-RGVLZGJSSA-N 325.397 2.590 50 50 EFGA CCCCNS(=O)(=O)c1ccc(NC(=O)C(Cl)Cl)cc1 2735965 IKVPFXGHRRWGLJ-UHFFFAOYSA-N 339.244 2.507 50 50 EFGA F[C@H]1C[C@H]2[C@H](Br)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245236149 QETLGKWBLPLOEM-FCAWWPLPSA-N 330.041 2.943 50 50 EFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc2ccccc2n1 343527 OSPHCRUOZBWROX-VCHYOVAHSA-N 336.307 2.613 50 50 EFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(F)c(F)c1 293506 VHDHTFQERUSLIM-CQSZACIVSA-N 334.322 3.000 50 50 EFGA Cc1ccccc1/C=N/NC(=O)c1c(Br)c(C)nn1C 12648922 GITXOSSQHWCIJU-LZYBPNLTSA-N 335.205 2.563 50 50 EFGA O=C(CCc1ccccc1)NNC(=S)Nc1ccc(F)cc1F 6829461 ABUAIXPTWLVUIY-UHFFFAOYSA-N 335.379 2.915 50 50 EFGA Cc1nn(C)c(C)c1CCC(=O)OC[C@]1(C)C[C@H]1Br 888099537 PDXWGQVIIBRQJT-OCCSQVGLSA-N 329.238 2.686 50 50 EFGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccccc1O 261328 LLVSMFVRKYNOSB-RQZCQDPDSA-N 349.184 2.684 50 50 EFGA C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccc(N(C)C)cc1 5570321 FQTOIDBJOZEFFX-OOXYOOLHSA-N 349.438 2.889 50 50 EFGA COc1ccc(CNC(=O)[C@@H](C)Cl)cc1COC1CCOCC1 1875364856 WLNWUTSPTFQMOI-GFCCVEGCSA-N 341.835 2.634 50 50 EFGA O=C(N/N=C/c1ccccc1)C(=O)Nc1cccc(Br)c1 2892350 NMVHIAHFNQOKDA-LICLKQGHSA-N 346.184 2.538 50 50 EFGA CC1(C)OB(c2cccc(OCCBr)c2)OC1(C)C 169747458 AFIJFVBZZHBRBB-UHFFFAOYSA-N 327.027 2.760 50 50 EFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1OC 3667175 ZJWWTUMDFLLPDC-MRXNPFEDSA-N 326.352 2.506 50 50 EFGA C/C(Cn1nnc2ccccc21)=N\NC(=O)c1cc(Cl)ccc1O 5494629 RYAVOZCIVCHEPR-VCHYOVAHSA-N 343.774 2.596 50 50 EFGA CCOC(=O)c1ccc(NC(=S)NNC(=O)OC(C)(C)C)cc1 2857509 VSVQFLUJHIJAAU-UHFFFAOYSA-N 339.417 2.589 50 50 EFGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccnc2)[nH]n1 9176210 FNAUOFCIRPRJPF-UDWIEESQSA-N 335.367 2.634 50 50 EFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccccc1 1427246 KCNXNRFKTQMFII-MRXNPFEDSA-N 329.359 2.757 50 50 EFGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 263330 GHMMYMIBYJUULG-VXLYETTFSA-N 325.759 2.889 50 50 EFGA Cc1ccc(OCC(=O)NNC(=S)Nc2ccccc2)c(C)c1 491630 AYSDGMLJMFWPBW-UHFFFAOYSA-N 329.425 2.700 50 50 EFGA CCSc1cc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)c(C)o1 618574 LUGUILBIPHXDCT-AWEZNQCLSA-N 334.397 2.955 50 50 EFGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(O)cc1O 510688 XZUZXNIRRZCISI-RGVLZGJSSA-N 336.347 2.780 50 50 EFGA O=C(N/N=C/c1ccc(O)cc1)c1cc(Br)ccc1O 244899 UPNJPPFLPVYSNN-LZYBPNLTSA-N 335.157 2.624 50 50 EFGA O=C(CCl)N1CCN([C@H](c2ccccc2)C2CCOCC2)CC1 1875386916 DWCGNWLFDAOFSP-GOSISDBHSA-N 336.863 2.537 50 50 EFGA Cc1nc2ccccc2cc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 5730199 QMZDRXSMCXIEFR-PYCFMQQDSA-N 344.374 2.654 50 50 EFGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1O 36782 YKNBWYUQARFGAW-MRXNPFEDSA-N 340.379 2.852 50 50 EFGA Cc1cc(C)c(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)c1 4229636 MJTYGFRZCMUYKG-KEBDBYFISA-N 327.359 2.840 50 50 EFGA C#CC[C@@]1(C(=O)NCCSSCCC(=O)O)CC=CCC1 1875388424 ANFWEKYKIKZSLB-OAHLLOKOSA-N 327.471 2.709 50 50 EFGA C[C@@H](Cl)C(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 1875370160 DKSXSKPLIVKNOI-SNVBAGLBSA-N 340.773 2.550 50 50 EFGA CCOC(=O)c1ccccc1N/C=C(\C#N)C(=O)NCc1ccccc1 433300 OTSXYGUPPNOVFE-JQIJEIRASA-N 349.390 2.999 50 50 EFGA CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)c1ccccc1C 25758305 AEDOWKWQQNUSKG-GLYKGKQWSA-N 335.407 2.930 50 50 EFGA CC(C)(C)c1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1 435621 NYNUSOJZBNDDPL-UDWIEESQSA-N 335.411 2.879 50 50 EFGA COc1nc(CNC(=O)[C@H](C)Cl)ccc1OCc1ccccc1 1875376508 ZFIVMDYGMLDHKY-LBPRGKRZSA-N 334.803 2.913 50 50 EFGA C[C@@H](CC(=O)NNc1nc2ccccc2c(=O)[nH]1)c1cccc(F)c1 137131069 YJJPGBAIPXCHCQ-NSHDSACASA-N 340.358 2.699 50 50 EFGA COC[C@@H](C)OC(=O)/C(C#N)=C\c1coc2ccc(C)cc2c1=O 2758962 TVOBMKFZGKKXRA-BFTHVDOESA-N 327.336 2.587 50 50 EFGA O=C(NNC(=O)c1ccc(O)cc1)Nc1ccccc1C(F)(F)F 2143626 ULGHECKMPYIVNV-UHFFFAOYSA-N 339.273 2.878 50 50 EFGA C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C#N 253500243 ZYVHLUFQSVBNFH-BCPGGHEJSA-N 329.440 2.744 50 50 EFGA biogenic O=[N+]([O-])c1nc(Br)ccc1OCCBr 117187614 ZNBFTZFRDNOSIR-UHFFFAOYSA-N 325.944 2.526 50 50 EFGA Cn1c(SCC(=O)N/N=C/c2cccs2)nc2ccccc21 55607 RDMKBLFCWUUYEL-CXUHLZMHSA-N 330.438 2.877 50 50 EFGA Cc1cc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)ccc1Cl 449810 MULMKUSYTASGLG-FRKPEAEDSA-N 337.719 2.679 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3F)[C@H]2C1 60393 PWWWVQAOIOLFPC-FUHWJXTLSA-N 347.397 2.571 50 50 EFGA O=Cc1ccccc1P(c1ccccc1C=O)c1ccccc1C=O 169658836 UYVNSMJGMCPGFL-UHFFFAOYSA-N 346.322 2.882 50 50 EFGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCC 5608166 WSGYZONUSLKJMW-MRXNPFEDSA-N 340.383 2.734 50 50 EFGA C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 4956051 PBVQGJIVDMKFAZ-GZTJUZNOSA-N 342.311 2.586 50 50 EFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 3667176 BHZDMRYJUXIQQI-INIZCTEOSA-N 326.352 2.506 50 50 EFGA Cc1cc2c(c(C(=O)NCCSSCCC(=O)O)c1)OCC2 1875388928 VVQGPRPNXVUXII-UHFFFAOYSA-N 341.454 2.516 50 50 EFGA COc1cc(OC)cc(C(=O)NN/C(C)=C(\C#N)c2ccccc2)c1 4618954 IIIUZRKDFIYUOF-QGOAFFKASA-N 337.379 2.893 50 50 EFGA COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1O 260127 FIHAPRBTCJONEB-RQZCQDPDSA-N 349.184 2.927 50 50 EFGA COC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1OC 16994684 UXAFJMZOQXYMJY-QWHCGFSZSA-N 332.381 2.636 50 50 EFGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl 4302534 MNKKUPWYKAQLIH-YBFXNURJSA-N 345.786 2.828 50 50 EFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1 1427311 CXHDBZSZQKGNKB-INIZCTEOSA-N 347.349 2.896 50 50 EFGA CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1 1075691 LULHOHOOMNWKJV-UHFFFAOYSA-N 346.431 2.558 50 50 EFGA C[C@@H](Cl)C(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 1875363976 GMIKHDZQWVXCRC-CQSZACIVSA-N 344.846 2.810 50 50 EFGA Cc1nn(C)c(C)c1CCC(=O)OC[C@@]1(C)C[C@H]1Br 888099538 PDXWGQVIIBRQJT-TZMCWYRMSA-N 329.238 2.686 50 50 EFGA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)Br 252695208 WHGSOHNKNMRDEK-OSAQELSMSA-N 337.261 2.913 50 50 EFGA biogenic Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(C2CC2)n[nH]1 13115053 IUKZVZSFSXWWAS-RGVLZGJSSA-N 348.410 2.854 50 50 EFGA CCc1n[nH]c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1004518 DQEHOBBJWPEJDS-LBPRGKRZSA-N 345.200 2.953 50 50 EFGA N#Cc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1 1875387039 KYSQSSMYYPVSQL-UHFFFAOYSA-N 327.815 2.594 50 50 EFGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccccc1F 58568 JKDLUVYQBOMYLJ-ZDUSSCGKSA-N 336.750 2.689 50 50 EFGA COc1cccc(/C=N/NC(=O)c2cc(Br)ccc2O)c1 59644 JNDZWQVHOUWWQM-RQZCQDPDSA-N 349.184 2.927 50 50 EFGA Cc1ccc(NCC(=O)N/N=C\c2cc3c(cc2Cl)OCO3)cc1 32606173 OSSANAMIEZHJCH-ZBKNUEDVSA-N 345.786 2.939 50 50 EFGA Cc1nn(C)c(C)c1/C=N/NC(=O)C(C)(C)Oc1ccc(Cl)cc1 374581 FCNJFWZPYOYKJX-VXLYETTFSA-N 348.834 2.998 50 50 EFGA Cc1ccc(NC(=O)NNc2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1 4828987 NZYOIPWTMQJUMC-UHFFFAOYSA-N 330.300 2.750 50 50 EFGA COc1ccc(NC(=O)C(=O)N/N=C/C(C)=C\c2ccccc2)cc1 2544263 CDTXCSLDCVHVSH-RUKGVYQZSA-N 337.379 2.839 50 50 EFGA CN(C)c1ccc(/C=N/NC(=O)CCn2cnc3ccccc32)cc1 536123 WISXBNXLCVGCAJ-FYJGNVAPSA-N 335.411 2.643 50 50 EFGA O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(Cl)cc1Cl 251994 BUFBMGHBVIQHTF-QGMBQPNBSA-N 348.193 2.888 50 50 EFGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(O)cc1 498078 KXCCEJHKBHGWHY-LZYBPNLTSA-N 335.157 2.624 50 50 EFGA Cc1ccc(S(=O)(=O)OCCCI)cc1 43214787 APGJRDULKKLXMF-UHFFFAOYSA-N 340.182 2.525 50 50 EFGA CC(C)(C)OC(=O)N1CC[C@](O)(C(F)(F)F)[C@H](Br)C1 396137663 MTHBKYXJSOPDME-GMSGAONNSA-N 348.159 2.684 50 50 EFGA COc1cccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)c1 349308 LCSZTJWJBVOGTM-DEDYPNTBSA-N 337.379 2.586 50 50 EFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@H]2C1 13739345 KTAHSMRHFRKCBY-DLBZAZTESA-N 349.463 2.882 50 50 EFGA CC(C)Oc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 233705 QRRWIRSMAJZBFD-VXLYETTFSA-N 330.413 2.506 50 50 EFGA CN(C)c1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1 439189 PZAKAFVYPOWITI-CXUHLZMHSA-N 336.189 2.872 50 50 EFGA O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1cccc([N+](=O)[O-])c1 17071196 SUZANBUJOIFNPF-CABCVRRESA-N 340.339 2.551 50 50 EFGA Cc1cccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1C 565492 IVRQHNMUVUWFER-VCHYOVAHSA-N 327.340 2.741 50 50 EFGA O=C(N/N=C/c1c(O)ccc2ccccc12)[C@@H]1COc2ccccc2O1 192756 DOWSORIDOINJND-QVQQHXNLSA-N 348.358 2.836 50 50 EFGA C#CC[C@]1(C(=O)NCCSSCCC(=O)O)CC=CCC1 1875388423 ANFWEKYKIKZSLB-HNNXBMFYSA-N 327.471 2.709 50 50 EFGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)c1 2451456 GRCLPQDJHXLLRM-KEBDBYFISA-N 329.787 2.529 50 50 EFGA COc1ccc(OCC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1 8182485 WMNNXMNHOASYGF-LDADJPATSA-N 343.339 2.523 50 50 EFGA C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccc(F)cc1 4680062 KDJPXTUOJYNCES-XDHOZWIPSA-N 325.347 2.501 50 50 EFGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccncc1 59396 IDQNMTXQXYTHTB-MRXNPFEDSA-N 347.374 2.864 50 50 EFGA COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c1 4366374 NGNWYUDJZWPIRG-MBNTZHJCSA-N 343.339 2.521 50 50 EFGA O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 298872 RTYSAWUSEWXAIB-UHFFFAOYSA-N 346.386 2.985 50 50 EFGA CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 208492 IOLNKCFSCFHIQL-CQSZACIVSA-N 326.377 2.888 50 50 EFGA CC(C)CNC(=S)NNC(=O)c1csc2c1CC[C@H](C)C2 8681010 UEVJINGODJMHNY-JTQLQIEISA-N 325.503 2.638 50 50 EFGA O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1 2383753 ICEOEKXOOZTZLJ-KEBDBYFISA-N 335.285 2.794 50 50 EFGA CCOc1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1OCC 17071656 DJIWKUSMPVGIKG-UHFFFAOYSA-N 343.383 2.951 50 50 EFGA CCOc1cc(/C=N/NC(=O)CN2CCCCCCC2)ccc1OC 293479 OKPWVKBOTCPGTL-XSFVSMFZSA-N 347.459 2.810 50 50 EFGA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)C1 12504878 DKSMJHNBYPZHJS-TXEJJXNPSA-N 344.864 2.531 50 50 EFGA COc1ccc(COC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 1212634 GOWQIFKVTQCWOF-UHFFFAOYSA-N 334.759 2.920 50 50 EFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1 1427312 CXHDBZSZQKGNKB-MRXNPFEDSA-N 347.349 2.896 50 50 EFGA C[C@@H](Cl)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C1CCCC1 1875377378 DFPNDLXKSVLDQL-SNPRPXQTSA-N 326.868 2.786 50 50 EFGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 196622 YIFKSGVWRUTYNU-MRXNPFEDSA-N 326.352 2.519 50 50 EFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 2381352 CGLDFBRLHVGLKS-CIAFOILYSA-N 347.374 2.943 50 50 EFGA O=C(NNC(=S)NC1CCCC1)c1ccc(-n2cccc2)cc1 610090 MYZHGTCVCBIPFK-UHFFFAOYSA-N 328.441 2.529 50 50 EFGA O=C(N/N=C/c1cccc(Br)c1)c1ccc(O)cc1O 438173 MTLCUBNNCWZEIK-LZYBPNLTSA-N 335.157 2.624 50 50 EFGA COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(OC)c1O 15685567 FOQBUKFROSWGJX-NVNXTCNLSA-N 338.363 2.633 50 50 EFGA C=CCCCCCCCCC(=O)NNC(=S)NC[C@@H]1CCCO1 6645089 WWNCHKZETFPXNI-HNNXBMFYSA-N 341.521 2.968 50 50 EFGA O=C(N/N=C/c1cccc(O)c1O)c1ccc(Br)cc1 1959452 AONKZCRXLXKXQP-LZYBPNLTSA-N 335.157 2.624 50 50 EFGA CCOc1cc(/C=N/NC(=O)c2ccc(N(C)C)cc2)ccc1OC 6393516 DWXPPRMSUHPLHL-DEDYPNTBSA-N 341.411 2.924 50 50 EFGA COc1cccc(/C=N/NC(=O)c2cncc(Br)c2)c1 289432 PGRMWIDUWFBHTP-REZTVBANSA-N 334.173 2.617 50 50 EFGA C/C(=N/NC(=O)CNc1ccccc1C)c1ccc([N+](=O)[O-])cc1 12575326 BQSPTKOCATYXNO-UYRXBGFRSA-N 326.356 2.856 50 50 EFGA O=C(CBr)CCCCCN1C(=O)c2ccccc2C1=O 59863379 JBPUJKZATDULCP-UHFFFAOYSA-N 338.201 2.807 50 50 EFGA Cc1cccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)c1O 8829119 DDGUCBCVEHBVFL-UHFFFAOYSA-N 328.290 2.504 50 50 EFGA COc1ccc2cc(/C=C(\C#N)S(=O)(=O)NC3CC3)ccc2c1 188036496 FZEGBLXLWULJKX-RQZCQDPDSA-N 328.393 2.795 50 50 EFGA Cc1cccc(OCC(=O)N/N=C/c2ccc(Br)o2)c1 361601 AVJZEABFXJUNSU-LZYBPNLTSA-N 337.173 2.880 50 50 EFGA C[C@H](Cl)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C1CCCC1 1875377375 DFPNDLXKSVLDQL-QEJZJMRPSA-N 326.868 2.786 50 50 EFGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1sccc1C 433017 MFHNWTPLJYNSEH-AWEZNQCLSA-N 347.465 2.560 50 50 EFGA Cc1cccc(C)c1OCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1 16677616 PCSOOCYWRIGYKC-UHFFFAOYSA-N 327.340 2.741 50 50 EFGA COc1cc(OC)c(C2C(C#N)=C(C)NC(C)=C2C#N)c(C(=O)O)c1 20432391 HKJBEGGLKOEZIR-UHFFFAOYSA-N 339.351 2.684 50 50 EFGA Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccc(N(C)C)cc1 138976 JHMUFWFWGWFVAG-UDWIEESQSA-N 335.411 2.561 50 50 EFGA C[C@H](Cl)C(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1875377894 QKRMMEQUJCRLPU-ONGXEEELSA-N 339.773 2.887 50 50 EFGA O=C(O)CCSSCCNC(=O)c1c(F)ccc2[nH]ccc12 1875388634 JNEQVDNFXNUUQF-UHFFFAOYSA-N 342.417 2.893 50 50 EFGA C[C@@H](Cl)C(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 1875363642 OUIVXZJIMBNBKK-ZJUUUORDSA-N 339.741 2.531 50 50 EFGA O=C(NN=C1CCCC1)c1ccccc1I 301531 IWQOPKDLHFRKCX-UHFFFAOYSA-N 328.153 2.951 50 50 EFGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1cccnc1 1429572 IHZNTQKSXACDQO-CYBMUJFWSA-N 341.392 2.846 50 50 EFGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C[C@H]2[C@]23[C@H]4C=C[C@@H](C4)[C@]12N=NN3c1ccccc1 254730155 OMGGDHZFRGBBHT-AHNQTFNTSA-N 347.374 2.523 50 50 EFGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)cc1 288593 NZNBAGDJQLHGLR-XDHOZWIPSA-N 327.384 2.708 50 50 EFGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2cccn2C)n[nH]1 5635106 DRMRYMPEZDLWBG-JNJFRLMHSA-N 349.394 2.853 50 50 EFGA C[C@@H](Cl)C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 1875366845 LLACCSQQJISAOR-SNVBAGLBSA-N 348.752 2.504 50 50 EFGA O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)[C@@H](F)Cl 2325898559 LHDFGBAIYMZTGS-LLVKDONJSA-N 338.738 2.863 50 50 EFGA O=C(CCl)N1CCN(Cc2cnc(Cc3ccccc3)s2)CC1 1875387257 YAXUQSCFTRMAAW-UHFFFAOYSA-N 349.887 2.617 50 50 EFGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccncc1 5068014 YSEHYWNTDXEUNB-CQSZACIVSA-N 333.326 2.829 50 50 EFGA C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)c1cccc(O)c1 5019975 FRNPJLYPDCQPKW-DEDYPNTBSA-N 325.368 2.835 50 50 EFGA N#Cc1ccc(/C=N/NC(=O)CS[C@H]2Nc3ccccc3O2)cc1 2325809516 DONGNKHORJXYGR-AEUYPJEVSA-N 338.392 2.530 50 50 EFGA Cc1ccccc1C(=O)NNC(=O)c1cccc(Br)c1 95878 KLQBXBKEDALBPS-UHFFFAOYSA-N 333.185 2.832 50 50 EFGA CC(C)(C)[Si](C)(C)OCCOCCOCCOCCC(=O)O 214946792 UPRFSWMUGOEFOM-UHFFFAOYSA-N 336.501 2.533 50 50 EFGA CCCc1n[nH]c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2 3899519 UBMABMHCGJTCLL-CQSZACIVSA-N 340.383 2.598 50 50 EFGA CN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@H]2C1 244898942 ZEHUQTHLSUQWEG-SZMVWBNQSA-N 349.825 2.694 50 50 EFGA Cc1c(C(=O)NCCSSCCC(=O)O)cnn1C(C)(C)C 1875388859 SQXUNAICXJGOCN-UHFFFAOYSA-N 345.490 2.532 50 50 EFGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccccn3)c2C)cc1 9270319 WUEATKRLDDBRDV-CIAFOILYSA-N 349.394 2.943 50 50 EFGA Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)ccc21 16319918 BEMACGAMNZCLGJ-ZROIWOOFSA-N 334.335 2.849 50 50 EFGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1c(O)ccc2ccccc12 55879 MJVJCMUCKNZSTR-RGVLZGJSSA-N 336.395 2.968 50 50 EFGA CCOc1ccc([C@@H]2CC(=O)NC(SCC#N)=C2C#N)cc1OC 9110299 XXGIVZVOAKDAIM-LBPRGKRZSA-N 343.408 2.689 50 50 EFGA Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 5072940 OOAGZWDMEGIFHV-LLVKDONJSA-N 349.177 2.603 50 50 EFGA CCCc1n[nH]c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2 5686266 AURZXGDYVYLNCJ-HNNXBMFYSA-N 340.383 2.685 50 50 EFGA O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1ccccc1O 3168090 PDFXCIAYAFDRFT-YBFXNURJSA-N 345.786 2.915 50 50 EFGA CC1=NN=C(O)[C@@H]1CC(=O)N/N=C/c1cccc(Cl)c1Cl 9109384 QGJLVPYCOGKXNC-JPEBENEDSA-N 327.171 2.796 50 50 EFGA O=C(Cc1nnc(O)c2ccccc12)NNc1ccc2ccccc2n1 777467133 VPKNQEYCYIKLID-UHFFFAOYSA-N 345.362 2.569 50 50 EFGA CO[C@@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1 1054256 ZEKJGXCVUBRMBX-PGSUTNFGSA-N 337.423 2.765 50 50 EFGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(C)oc1C 381503 COPOKEJUVDZOOF-GIJQJNRQSA-N 332.356 2.686 50 50 EFGA CC(C)(C)c1csc(CC2(O)CCN(C(=O)[C@H](F)Cl)CC2)n1 2325898735 XSJJLLXSOYULML-LBPRGKRZSA-N 348.871 2.871 50 50 EFGA Cc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1 371041 BVEQXTMFGCNZMZ-VBEHJTROSA-N 327.340 2.821 50 50 EFGA CCOc1ccc(NC(=S)NNC(=O)Cc2ccccc2)cc1 5949212 QEGXOQWIFNIDLF-UHFFFAOYSA-N 329.425 2.646 50 50 EFGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(F)c2)[C@@H]2CSCC=C12 20598177 JWUYAWQXVCDGMQ-HZPDHXFCSA-N 336.395 2.982 50 50 EFGA CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CO/N=C(/N)c1ccsc1)C2 109186231 UMMKQKNUHOAWNV-YSIIYDHVSA-N 348.472 2.703 50 50 EFGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)ccc1O 228979 GMCYEQAQAAPUHD-YBFXNURJSA-N 336.351 2.555 50 50 EFGA CCc1ccc(NC(=O)C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 4355651 NZXMECMPSVMTGG-CIAFOILYSA-N 334.379 2.819 50 50 EFGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(F)cc1 4079667 GHWXKINQLOFNEG-FSJBWODESA-N 349.365 2.859 50 50 EFGA CC[n+]1ccc([C@H](O)P(=O)(c2ccccc2)c2ccccc2)cc1 287867 FVVQHSWKURCMJW-HXUWFJFHSA-N 338.367 2.999 50 50 EFGA CCOC(C)(OCC)C(=O)NNC(=O)c1coc2ccc(CC)cc12 287657802 ASZMCGCFGKOGPX-UHFFFAOYSA-N 348.399 2.545 50 50 EFGA O=C(Nc1ccc(Cl)cc1Cl)c1ccc(B(O)O)c(Cl)c1 169744133 JMKBLQJGRGMPIY-UHFFFAOYSA-N 344.390 2.579 50 50 EFGA CCn1nccc1CN(C(=O)[C@H](F)Cl)c1ccc(OC)cc1 2325898614 OBGBLAKHGSQAEL-AWEZNQCLSA-N 325.771 2.979 50 50 EFGA COC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1OC 16994687 UXAFJMZOQXYMJY-CHWSQXEVSA-N 332.381 2.636 50 50 EFGA C=CCOc1ccccc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 4372581 ULDVEUHSYQDOMV-LDADJPATSA-N 325.324 2.924 50 50 EFGA CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C#N)=C(C)N1 20432385 SPXACDZLHFJEDA-UHFFFAOYSA-N 325.284 2.785 50 50 EFGA CCCC[C@@H](c1ccccc1)c1nc(-c2ccc(B(O)O)cc2)no1 606241692 YYRWOXGGRGJEOP-KRWDZBQOSA-N 336.200 2.739 50 50 EFGA CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1O 59085 RKLDIRQWJSIBSQ-RGVLZGJSSA-N 342.395 2.937 50 50 EFGA COc1cccc(/C=N/NC(=O)Cc2cc3ccccc3[nH]2)c1OC 23549904 FIPIRMUIMNGZMV-UDWIEESQSA-N 337.379 2.878 50 50 EFGA CC1(C)O[C@H]2[C@H](N)C[C@H](OCCO[Si](C)(C)C(C)(C)C)[C@H]2O1 214483929 UGMXRTTVIZNRAK-ZOBORPQBSA-N 331.529 2.645 50 50 EFGA CCCn1c(=O)c(C(=O)N/N=C/c2ccccc2)c(O)c2ccccc21 299738162 CVTAPEWEIXIMHB-FYJGNVAPSA-N 349.390 2.881 50 50 EFGA CCc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 186591 VMYHBCGCWKXSIT-VCHYOVAHSA-N 328.441 2.898 50 50 EFGA Cc1ccc(OCC(=O)N/N=C/c2c(C)cc(O)cc2O)c(C)c1 3136539 QSILMZDLAGMISH-DJKKODMXSA-N 328.368 2.552 50 50 EFGA NC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2Cl)cc1 1446618 IATUPEDZMCNCTJ-OZNFINNBSA-N 343.770 2.961 50 50 EFGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccccc1 4230231 MSQKIXFNFSMXQB-LPYMAVHISA-N 331.375 2.720 50 50 EFGA Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)ccc21 16384082 HREDSMYYQDLSDY-ZSOIEALJSA-N 334.335 2.849 50 50 EFGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)cc1 242255 VXRLETULDNPZPI-QGHHPUGFSA-N 337.379 2.706 50 50 EFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@H]2C1 4102689 FPTLOLQFVKCXGF-OALUTQOASA-N 343.434 2.820 50 50 EFGA COc1ccc(Br)cc1/C=N/NC(=O)c1ccncc1 230928 CYDBCXLGNPXRJD-RQZCQDPDSA-N 334.173 2.617 50 50 EFGA COc1cc(C(=O)N/N=C/c2ccc(C)cc2)cc(OC)c1OC 381220 MPFYNDGWCNVZTH-YBFXNURJSA-N 328.368 2.785 50 50 EFGA C=CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4372677 VMBLRJHGCKTXRQ-LDADJPATSA-N 325.324 2.924 50 50 EFGA COC(=O)[C@@H]1C[C@@H](Cl)CN1C(=O)c1ccc(Cl)cc1Cl 1393255 BBJDKANFEGVUPF-KCJUWKMLSA-N 336.602 2.988 50 50 EFGA COCc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC 372257 NZPHHEUIGKKSGD-QGZVFWFLSA-N 340.379 2.656 50 50 EFGA CN1CCC(=NNC(=O)CSCc2ccccc2Cl)CC1 55433434 CFNGVKXDZUHZNE-UHFFFAOYSA-N 325.865 2.771 50 50 EFGA C[C@](O)(C(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccccc1 291308 SZKUHCTUAVXXPG-TTYLXTBDSA-N 334.375 2.903 50 50 EFGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 1742022 MOXGQBIHYJFKFL-WOJGMQOQSA-N 339.424 2.968 50 50 EFGA COc1cccc(/C=N/NC(=O)[C@H](C)Cn2cnc3ccccc32)c1 536121 UIHPZBZMBQRCPB-VPNURPJOSA-N 336.395 2.831 50 50 EFGA C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1cccc([N+](=O)[O-])c1 5125864 XQZHZPIUGTTZAS-LICLKQGHSA-N 339.311 2.732 50 50 EFGA Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccc(Cl)c2)c1 43921 KWZSIQPCBKVSLQ-UHFFFAOYSA-N 332.787 2.797 50 50 EFGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)[nH]n2)cc1 435536 VKBIVGDFLPRURN-UDWIEESQSA-N 335.367 2.634 50 50 EFGA CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 910057020 QDZJIEFOKJLXKY-ZIAGYGMSSA-N 340.540 2.668 50 50 EFGA COc1ccc(OC)c(NC(=O)NNC(=O)c2csc(C)c2C)c1 610838 ALOTTWUYEBEHOV-UHFFFAOYSA-N 349.412 2.849 50 50 EFGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cnccn1 45362 KGSYWWKEFFKRRJ-WSDLNYQXSA-N 332.363 2.820 50 50 EFGA COc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1 4287383 DEBLEHUVGQSQAN-FYJGNVAPSA-N 347.374 2.937 50 50 EFGA Cc1nc(C(=O)N2CCC3(CC2)C[C@@H]3Br)ccc1C#N 1775999421 RFGCJESPXHZUBC-ZDUSSCGKSA-N 334.217 2.651 50 50 EFGA COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C/c1cccnc1 6571409 SXHHBASTAMJULZ-KPKJPENVSA-N 327.365 2.784 50 50 EFGA CN(C(=O)CCl)C1CCN(c2ccc(C(F)(F)F)nc2)CC1 1875384501 QYRFTDNOYQZIHM-UHFFFAOYSA-N 335.757 2.766 50 50 EFGA CC(C)(CC(=O)N1CCSSCC1)NC(=O)OC(C)(C)C 888092938 YEZXPZLFXJAUCS-UHFFFAOYSA-N 334.507 2.903 50 50 EFGA COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OC(C)=O 1959295 OHGHUCDLEVTRFQ-WOJGMQOQSA-N 327.340 2.776 50 50 EFGA Cc1ccc2cc(/C=N/NC(=O)c3cnccn3)c(Cl)nc2c1 5795866 RJGNNEFVKLAQFM-DNTJNYDQSA-N 325.759 2.751 50 50 EFGA COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1OCC(N)=O 12364125 AFUHQZGNAMARMF-ZSOIEALJSA-N 326.327 2.763 50 50 EFGA O=[P@@](O)(c1ccccc1)c1ccc(I)cc1 393262 OSYFQAPPCKSFKE-UHFFFAOYSA-N 344.088 2.512 50 50 EFGA COc1cccc([C@H](Br)[C@@H](Br)C(=O)O)c1 1602064 WBRLBWOFKFWFIM-DTWKUNHWSA-N 337.995 2.979 50 50 EFGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(O)cc1O 4366347 KDXTXUKYCIRJIQ-NTOSSWPYSA-N 334.759 2.669 50 50 EFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1Cl 3072785 MIXLSGZCYDTBSA-DJKKODMXSA-N 333.750 2.876 50 50 EFGA COc1cc(OC)c(C2C(C#N)=C(C)NC(C)=C2C#N)cc1OC 406047 JSXDXVLHGXBJCQ-UHFFFAOYSA-N 325.368 2.994 50 50 EFGA COC(=O)C1=C(N)OC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 355412 MUAJXELEDUKNIS-LBPRGKRZSA-N 338.285 2.960 50 50 EFGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c1 43593 NKBDKRKVRGVADB-MRXNPFEDSA-N 326.352 2.519 50 50 EFGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2)cc1 4347338 QKRRPGZGENSVDS-KEBDBYFISA-N 329.787 2.529 50 50 EFGA CCOc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 66578 IJZKYAZGUYBWBY-XDHOZWIPSA-N 328.368 2.866 50 50 EFGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/C=C/c1ccco1 5662286 CRKYAHQHAUQTHJ-COLHSRMGSA-N 329.312 2.771 50 50 EFGA COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c1 2568829 ARHBXKYRWJMYJB-FYJGNVAPSA-N 347.374 2.937 50 50 EFGA C[C@H](Cl)C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 1875375608 FVYCCTWPBFLGOR-AWEZNQCLSA-N 344.842 2.978 50 50 EFGA COc1ccccc1-c1cc(C(=O)N/N=C/c2cccs2)[nH]n1 8568410 LWARNDPCEZNVSE-LICLKQGHSA-N 326.381 2.911 50 50 EFGA O=C1CC(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)=NN1 100731187 UQNCHGANLMKDJP-CIAFOILYSA-N 344.374 2.709 50 50 EFGA COc1ccccc1NC(=S)NNC(=O)CCc1ccccc1 6398773 CNVXICRELVFHEX-UHFFFAOYSA-N 329.425 2.646 50 50 EFGA CCCc1[nH]nc2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 5125949 DCTUHPSFRIADES-OAHLLOKOSA-N 340.383 2.598 50 50 EFGA CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)c1cccc(C)c1 43334146 DURPBDSSWWSNPL-HNYPPXODSA-N 335.407 2.930 50 50 EFGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1 4303102 RPEJMJVDLLLOON-DEDYPNTBSA-N 337.379 2.649 50 50 EFGA N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1nc2ccccc2c(=O)[nH]1 3899767 PYUQKLVTBIRXKR-YRNVUSSQSA-N 334.291 2.601 50 50 EFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Br)o1 4019966 ZVGHHIRAFOESHO-GFCCVEGCSA-N 335.157 2.857 50 50 EFGA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c(B(O)O)c1 169744239 LGHQYAUSSYHBTK-UHFFFAOYSA-N 344.390 2.579 50 50 EFGA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCl)cc1 20466406 NISPFLIZLROMEG-ZDUSSCGKSA-N 344.864 2.817 50 50 EFGA Cc1cc(C)cc(O[C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1 93954 RSAXYUIVFNGBMC-ANKPHQHTSA-N 340.379 2.950 50 50 EFGA CCOc1ccccc1/C=N/NC(=O)COc1ccccc1OC 510877 JNZJGAREHPRGIW-XDHOZWIPSA-N 328.368 2.623 50 50 EFGA O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cc(O)cc(O)c1 288649 GIFNSXMCFMUSQR-UBKPWBPPSA-N 341.150 2.874 50 50 EFGA COc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1 299034 DGLNVIVOXPWADG-UHFFFAOYSA-N 349.184 2.533 50 50 EFGA COc1ccc(C(=O)NNC(=O)Nc2ccc(SC)cc2)cc1 2167504 AOSXMFFHFDSDFE-UHFFFAOYSA-N 331.397 2.884 50 50 EFGA CNC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1 5091044 XOANYVSTNLAJQU-SXGWCWSVSA-N 336.347 2.617 50 50 EFGA C[C@H](Cl)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 1875377605 IFFUXVORZXMZHS-XVKPBYJWSA-N 332.713 2.656 50 50 EFGA Cc1ccc(N(C)S(=O)(=O)c2c(CCl)nn(C)c2Cl)cc1 1775998878 LNWHXWWKJBCQGK-UHFFFAOYSA-N 348.255 2.946 50 50 EFGA CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 1430911 KPBZYAASHYKRTF-SNVBAGLBSA-N 345.815 2.652 50 50 EFGA O=C(CSc1ncccn1)N/N=C/c1ccccc1C(F)(F)F 204928 CXMGCQNIRXKLGP-DNTJNYDQSA-N 340.330 2.738 50 50 EFGA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)NN 254546578 VVTXMFGLOIFEKN-FYKNWRSHSA-N 332.488 2.916 50 50 EFGA CCN(CC)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc1 179309 JAYXHENXMLLFTG-DEDYPNTBSA-N 339.443 2.899 50 50 EFGA CCCN1CCN([C@@H](C)CCCN(C(=O)[C@@H](C)Cl)C2CC2)CC1 1875364212 ITBBPHQEHVGSPG-JKSUJKDBSA-N 343.943 2.801 50 50 EFGA CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)CCl)C(F)(F)F 1333534961 KKIBNYIONCUAAZ-LBPRGKRZSA-N 344.761 2.673 50 50 EFGA CCCc1n[nH]c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 4740108 BDGSLSCWWPISTB-OAHLLOKOSA-N 340.383 2.598 50 50 EFGA C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N 253499992 SWAJIWWXRRYRDI-RBZZARIASA-N 329.440 2.744 50 50 EFGA biogenic COc1ccc(OCC(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1 504516 CGUATELQBXYOLQ-UHFFFAOYSA-N 349.774 2.580 50 50 EFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1Cl)OCO2 408244 UHVLHXJBIDQGRO-CYBMUJFWSA-N 344.754 2.883 50 50 EFGA CN(C)c1ccc(C(=O)NNC(=S)Nc2ccc(F)cc2)cc1 621464 KLMGUQGJVDEPQU-UHFFFAOYSA-N 332.404 2.523 50 50 EFGA OB(O)c1cc(OCc2ccccc2)c(C(F)(F)F)cc1Cl 1772575816 GHLBGYCIHJSKON-UHFFFAOYSA-N 330.498 2.618 50 50 EFGA CCCCNC(=S)NNC(=O)c1csc2c1CC[C@@H](C)C2 13470865 GEZVNLZOJRJPEQ-SNVBAGLBSA-N 325.503 2.782 50 50 EFGA COc1cc(NC(C)=O)ccc1NC(=O)CCCBr 2141580 HDXMBEMPKMLVTC-UHFFFAOYSA-N 329.194 2.767 50 50 EFGA C[C@@H](NC(=S)NNC(=O)c1cccc(N(C)C)c1)c1ccccc1 2851083 RCXIYXMIFSXLGD-CYBMUJFWSA-N 342.468 2.623 50 50 EFGA CCn1c(SCC(=O)N/N=C/c2cccnc2)nc2ccccc21 180133 IXSCNBUFOHNBPY-YBFXNURJSA-N 339.424 2.694 50 50 EFGA C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)[nH]n1)c1ccncc1 18123033 UCSKHALQODYZFK-WOJGMQOQSA-N 325.397 2.996 50 50 EFGA C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 4282297 OHBQTYOAUAQALL-DEDYPNTBSA-N 337.379 2.649 50 50 EFGA N#Cc1cccc2c(C(=O)NCCSSCCC(=O)O)c[nH]c12 1875388627 JDZCHHSSWGIYDN-UHFFFAOYSA-N 349.437 2.625 50 50 EFGA CCOC(=O)/C(C#N)=C/c1cccc(I)c1 298120 RIFHKWMWGGSZPB-UXBLZVDNSA-N 327.121 2.761 50 50 EFGA C/C(=N\NC(=O)CN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 5249866 WSXCPWQSSLDJIM-QGOAFFKASA-N 326.356 2.571 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3F)[C@@H]2C1 1022897 PWWWVQAOIOLFPC-AEFFLSMTSA-N 347.397 2.571 50 50 EFGA O=C(CNC(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 1754368 NVUBTYIVGCBVDO-LPYMAVHISA-N 331.375 2.720 50 50 EFGA Cc1cnn([C@H](C)c2nc(C3(C)CC(Br)C3)no2)c1 1875320825 MGZNMEREMKBDCF-TTXORMCVSA-N 325.210 2.999 50 50 EFGA Cn1ccnc1-c1noc([C@@]2(c3ccccc3)C[C@H]2Br)n1 1775993307 PSLRVCZGDGECNW-IAQYHMDHSA-N 345.200 2.923 50 50 EFGA COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1O 2388527 MQILMFSGCGNBAW-RQZCQDPDSA-N 349.184 2.927 50 50 EFGA O=C(N/N=C/c1ccccc1C(=O)O)c1cc(-c2ccccc2)[nH]n1 2454014 RZRCJJMGFWJJQK-YBFXNURJSA-N 334.335 2.539 50 50 EFGA COc1cc(C=C(C#N)C#N)cc(I)c1OC 136124 CJEMPMDLNUVXKR-UHFFFAOYSA-N 340.120 2.739 50 50 EFGA CCCc1[nH]nc2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 5125948 DCTUHPSFRIADES-HNNXBMFYSA-N 340.383 2.598 50 50 EFGA Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccccc2Cl)c1 43920 CVHUECAQVAMENG-UHFFFAOYSA-N 332.787 2.797 50 50 EFGA CCOc1ccc(CC(=O)N/N=C(\C)c2cccnc2)cc1OCC 15933973 QXGMPXNHOULYQT-KGENOOAVSA-N 341.411 2.962 50 50 EFGA CCOC(=O)c1sc(NC(=O)[C@H]2CCOC2)c(SC#N)c1C 888099821 SLTMUSVWBOTZBR-VIFPVBQESA-N 340.426 2.781 50 50 EFGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3cccnc3)c2C)cc1 435397 KWZQLVFJSLDQHT-CIAFOILYSA-N 349.394 2.943 50 50 EFGA COc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2O)cc1[N+](=O)[O-] 459505 AXBCBXNQYJVULU-CAOOACKPSA-N 349.730 2.726 50 50 EFGA COC(=O)[C@H]1C[C@@H](Cl)CN1C(=O)c1ccc(Cl)cc1Cl 1393254 BBJDKANFEGVUPF-LDYMZIIASA-N 336.602 2.988 50 50 EFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccccc1F 1427324 GPDLIARMQUAXLJ-MRXNPFEDSA-N 347.349 2.896 50 50 EFGA C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 4593450 JSQUMGQCQQTPJS-INIZCTEOSA-N 336.347 2.731 50 50 EFGA O=C(N/N=C(\c1ccccc1)c1cccnc1)c1cc(O)ccc1O 13322201 MTUSPVYOJJJASB-DYTRJAOYSA-N 333.347 2.675 50 50 EFGA C[C@@H](Cl)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 1875363752 XWBNPJLZSYQMSQ-CYBMUJFWSA-N 330.815 2.752 50 50 EFGA COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1C 3131973 PNRDLSOWSFHJFX-VXLYETTFSA-N 345.786 2.746 50 50 EFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)cc1 9240267 QLNUEIZHRBTKNO-YBFXNURJSA-N 336.351 2.555 50 50 EFGA OB(O)c1ccc(F)c(N(Cc2ccccc2)Cc2ccccc2)c1 230557787 XSYMCAKSVAPETC-UHFFFAOYSA-N 335.187 2.712 50 50 EFGA O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)[C@H](F)Cl 2325898560 LHDFGBAIYMZTGS-NSHDSACASA-N 338.738 2.863 50 50 EFGA CC(C)(C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 2882366 IVVUCXDWIYZIEI-UHFFFAOYSA-N 326.396 2.926 50 50 EFGA COc1cc(/C=N/NC(=O)CCCNc2ccccc2)ccc1O 2996062 LNCNNCUFVQVTPE-DEDYPNTBSA-N 327.384 2.743 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(F)c3)[C@H]2C1 4453537 IGXJECVPWRTSLN-ROUUACIJSA-N 347.397 2.571 50 50 EFGA C[C@H]1CN(C(=O)c2ccc(-c3noc(CCl)n3)cc2)C[C@@H](C)O1 34925181 KGBJFFJRVIQYJU-PHIMTYICSA-N 335.791 2.725 50 50 EFGA CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)[C@H](C)Cl)CC1 1875380179 HPMCRMWKDJQXIW-KBPBESRZSA-N 330.856 2.863 50 50 EFGA COC(=O)c1ccccc1NC=C(C#N)C(=O)NCCc1ccccc1 2049463227 YBXMPOICVNFNIT-UHFFFAOYSA-N 349.390 2.651 50 50 EFGA NNC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 9293 VENCPJAAXKBIJD-UHFFFAOYSA-N 335.194 2.995 50 50 EFGA CCOc1ccc(/C=N/NC(=O)CNc2cccc(C)c2)c(O)c1 3136480 YYNRWKKFBMPLLZ-RGVLZGJSSA-N 327.384 2.662 50 50 EFGA O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cncc(Br)c1 32666337 XZZHSAYTAJWXIU-SOFYXZRVSA-N 349.144 2.516 50 50 EFGA CON(C)C(=O)c1ccc(NC(=O)N2CCSSCC2)cc1 952874664 DQJLQNRCMOYZRF-UHFFFAOYSA-N 341.458 2.549 50 50 EFGA CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 1430912 KPBZYAASHYKRTF-JTQLQIEISA-N 345.815 2.652 50 50 EFGA CC(C)(C)OC(=O)N1CCOc2cc(CNC(=O)CCl)ccc21 1875368114 RAGLVBPNQNOJGN-UHFFFAOYSA-N 340.807 2.676 50 50 EFGA OB(O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1 202562210 IYOBYOQMNHOEJU-UHFFFAOYSA-N 331.224 2.569 50 50 EFGA CCOc1cc(/C=N/NC(=O)COc2ccc(CC)cc2)ccc1O 486468 ODHJZQZMLCDCBZ-UDWIEESQSA-N 342.395 2.882 50 50 EFGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/C=C/c1ccccc1 4372542 SPTUOSYHMDJWSR-ZTKKEOLVSA-N 325.324 2.789 50 50 EFGA COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1O 585237 PMEMQXVDTNRZRR-GIJQJNRQSA-N 334.759 2.583 50 50 EFGA O=C(N/N=C/C=C/c1ccccc1)C(=O)N/N=C/C=C/c1ccccc1 1684963 HIRBYBFHMTYBOX-AWKIKHLOSA-N 346.390 2.617 50 50 EFGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3cccn3C)[nH]n2)cc1 13571927 IERILKICDONPGB-XDHOZWIPSA-N 337.383 2.578 50 50 EFGA N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cccc([N+](=O)[O-])c1)OCO3 470404 ZKDONWIIAAEZBH-INIZCTEOSA-N 337.291 2.542 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3F)[C@@H]2C1 5607297 PWWWVQAOIOLFPC-SJLPKXTDSA-N 347.397 2.571 50 50 EFGA CCOc1ccc(/C(C)=N/NC(=O)CCc2c(C)n[nH]c2C)cc1 5718575 PUWCIFTYCANXPZ-XDHOZWIPSA-N 328.416 2.898 50 50 EFGA CCN(CC)c1nc(=O)c2cc(NC(=O)[C@H](F)Cl)ccc2s1 2325901724 VQCOHZFOYTVABI-NSHDSACASA-N 343.811 2.976 50 50 EFGA Cc1nn(Cc2ccccc2)c2c1[C@H](c1cccnc1)C(C#N)=C(N)O2 444674 KYDIYBCYZYMBJP-GOSISDBHSA-N 343.390 2.853 50 50 EFGA COc1ccc(OCC(=O)NNC(=O)Nc2cccc(Cl)c2)cc1 615346 XIFZZDSGCIPBLO-UHFFFAOYSA-N 349.774 2.580 50 50 EFGA O=C(CCCCSSc1ccccn1)ON1C(=O)CCC1=O 97957585 ABQGFYSYSCHJNB-UHFFFAOYSA-N 340.426 2.599 50 50 EFGA O=C(COc1ccccc1Br)N/N=C/c1ccccc1 260190 NZBCJWHXODDQLK-LICLKQGHSA-N 333.185 2.978 50 50 EFGA CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC 96411 DYUCJWFKQSMNQB-KRWDZBQOSA-N 340.379 2.909 50 50 EFGA Cc1nc(C(=O)N2CCC3(CC2)C[C@H]3Br)ccc1C#N 1775999420 RFGCJESPXHZUBC-CYBMUJFWSA-N 334.217 2.651 50 50 EFGA N#C/C(=C\c1cccc(Cl)c1Cl)c1nn(CCO)c(N)c1C#N 4474911 CBKZKHFZSJPGML-UXBLZVDNSA-N 348.193 2.700 50 50 EFGA CCOC(=O)C1=C(C)NC(OCC)=C(C=O)[C@@H]1c1cccc(C)c1 4025475 INMDKDGDEZPXRJ-KRWDZBQOSA-N 329.396 2.966 50 50 EFGA C[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1875377893 QKRMMEQUJCRLPU-MWLCHTKSSA-N 339.773 2.887 50 50 EFGA Cc1c(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2n1C 291200 TUSBBMMXOROXIT-QVQQHXNLSA-N 349.390 2.777 50 50 EFGA CC(C)c1cc(C(=O)NNC(=O)CC(C)(C)CC(=O)O)cs1 6633724 KYIVCGUKDRCMTM-UHFFFAOYSA-N 326.418 2.524 50 50 EFGA COc1ccc(/C(C)=N/NC(=O)CCc2c(C)n[nH]c2C)cc1OC 55634 ZYTCTFLTUOIOIK-YBFXNURJSA-N 344.415 2.517 50 50 EFGA COC(=O)c1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 15799226 ZVOQGEVUDAKJGF-QGOAFFKASA-N 334.375 2.739 50 50 EFGA C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C/c1ccnn1C 374464 ZDJULLXLSXXFBP-YFEDRJBBSA-N 341.198 2.645 50 50 EFGA CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 5632492 LMVLTKOYCJFJGR-GFCCVEGCSA-N 339.355 2.834 50 50 EFGA O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Cl)s2)n[nH]1 15854676 LJJJMGMJZROIGK-CAOOACKPSA-N 331.788 2.951 50 50 EFGA CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 317730845 FVTKGSGBTUJEFT-VXGBXAGGSA-N 349.449 2.592 50 50 EFGA O=C(Cc1ccccc1)N/N=C/c1cc(O)ccc1Br 298614 OCSGMKDBTNPFAC-LICLKQGHSA-N 333.185 2.848 50 50 EFGA COc1ccc(/C=N\NC(=O)c2ccc(N(C)C)cc2)cc1OC 33423723 UPVLXAHNFVSTMS-UNOMPAQXSA-N 327.384 2.534 50 50 EFGA COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CCl 1875363749 XLWHAUPXRPXSIE-UHFFFAOYSA-N 338.618 2.776 50 50 EFGA Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc3ccccc3o2)c1 133160 IORBSUTUVGBYIQ-UHFFFAOYSA-N 338.363 2.890 50 50 EFGA COc1cc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)ccc1OC(C)=O 100050587 GHDNMAVXCWMYNK-IGUNNGOCSA-N 330.384 2.507 50 50 EFGA Cc1cccc(C(=O)NNC(=O)c2cccc(Br)c2)c1 143020 MJDYVFSTRWMCML-UHFFFAOYSA-N 333.185 2.832 50 50 EFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccs1 1426904 SVSPVLOGBQCVBT-CQSZACIVSA-N 335.388 2.818 50 50 EFGA O=C(N/N=C/c1cccs1)C(=O)Nc1ccc(C(F)(F)F)cc1 2749751 NQRCWQORWNXEQX-QGMBQPNBSA-N 341.314 2.856 50 50 EFGA C[C@@H](Cl)C(=O)Nc1ccc2ncn(-c3ccccc3)c(=O)c2c1 1875380295 KWKKQMLWIZCANN-LLVKDONJSA-N 327.771 2.952 50 50 EFGA COC1(C(=O)NCCSSCCC(=O)O)CCC(C)(C)CC1 1875388525 FQRRMYPMPHOCHQ-UHFFFAOYSA-N 349.518 2.944 50 50 EFGA C[C@H](Cl)C(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 1875377891 QKRMMEQUJCRLPU-GXSJLCMTSA-N 339.773 2.887 50 50 EFGA COc1cc(/C=N/NC(C)=O)ccc1OC(=O)c1ccc(C)cc1 2506370 VSUOFDDBVGEBAZ-YBFXNURJSA-N 326.352 2.693 50 50 EFGA CCOc1cccc(C(=O)N/N=C/c2coc3ccccc3c2=O)c1 15934208 FOMAKIWUXGJIKO-RGVLZGJSSA-N 336.347 2.956 50 50 EFGA CC1=C(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CCCO1 159103878 QPPILTQKIKMYSQ-SNVBAGLBSA-N 334.441 2.718 50 50 EFGA C=CCc1cccc(/C=N/NC(=O)CSc2ccccn2)c1O 195876 RMHGWNOTRCLHBH-YBFXNURJSA-N 327.409 2.758 50 50 EFGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1 2888855 ARVFFEQTQUNVJE-UHFFFAOYSA-N 345.424 2.952 50 50 EFGA N#CC(C#N)=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 448151 RLTNZTCREPFJBE-UHFFFAOYSA-N 329.315 2.763 50 50 EFGA C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)[C@@H](C)Cl 1875363679 ROAIPSQPFYSWSH-QWHCGFSZSA-N 337.851 2.747 50 50 EFGA COc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C)cc1OC 566317 UADBRDGSTLBXAS-RGVLZGJSSA-N 342.395 2.850 50 50 EFGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 3072811 YZTDHTVIIPSLCP-VXLYETTFSA-N 345.786 2.746 50 50 EFGA Cn1c(SCC(=O)N/N=C/c2ccc(F)cc2)nc2ccccc21 55585 MBEOLDWSUFOFGX-VXLYETTFSA-N 342.399 2.955 50 50 EFGA CCCc1ccc(OCC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 4372900 OTFMSCZHNOVLPA-UDWIEESQSA-N 342.395 2.882 50 50 EFGA CC(=O)O[C@@H]1C=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)=O 169794846 HSYXDFIWVSUKFT-RBSFLKMASA-N 344.480 2.784 50 50 EFGA O=C(N/N=C/c1ccccc1O)C(O)(c1ccccc1)c1ccccc1 115028 GOCSMIDSQQKMKO-PXLXIMEGSA-N 346.386 2.778 50 50 EFGA COc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1O 566535 ZMLOZVAGVJZPCL-GIJQJNRQSA-N 334.759 2.583 50 50 EFGA Cc1ccc(CNC(=O)c2cccc(CNC(=O)CCl)c2)cc1 1319674046 BKPVRAASQYQEJR-UHFFFAOYSA-N 330.815 2.780 50 50 EFGA C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)c1cccc([N+](=O)[O-])c1 12343181 WBACIZGBAUDFLU-LICLKQGHSA-N 329.360 2.769 50 50 EFGA C[C@@H]1[C@@H](NC(=S)NNC(=O)c2cccnc2Cl)CCC[C@H]1C 248533082 SBNSQAFZYJDLMH-SCVCMEIPSA-N 340.880 2.669 50 50 EFGA CCCN1CCN([C@H](C)CCCN(C(=O)[C@H](C)Cl)C2CC2)CC1 1875364208 ITBBPHQEHVGSPG-CVEARBPZSA-N 343.943 2.801 50 50 EFGA O=C(Nc1ccc(Br)cc1-c1nc[nH]n1)[C@H](F)Cl 2325898449 CYYSXRAEZITNCW-QMMMGPOBSA-N 333.548 2.707 50 50 EFGA CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)C2CCCCC2)cc1 528784 PNWCATUMEYYPAP-UHFFFAOYSA-N 331.416 2.622 50 50 EFGA O=C(NN=C1CCCCC1)C(=O)Nc1ccc(Br)cc1 4699461 FCKKRFABIBOXQB-UHFFFAOYSA-N 338.205 2.824 50 50 EFGA Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1 4722930 ZXLVMUACEVMPTR-QINSGFPZSA-N 337.379 2.970 50 50 EFGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccc(Br)c1 252711 KOPTUNWJDBSRBP-CAOOACKPSA-N 347.168 2.942 50 50 EFGA O=C(Cn1nc2ccccc2n1)N/N=C/c1ccc(Cl)cc1Cl 434124 ANIFZSNWFHGQNP-QGMBQPNBSA-N 348.193 2.888 50 50 EFGA N#C/C(=C/c1cc(Br)cs1)C(=O)NC[C@@H]1CCCO1 13124936 BDAPDBDCDFZJJM-NJHLSQGMSA-N 341.230 2.713 50 50 EFGA CCOc1ccccc1NC(=O)NNC(=O)CCc1ccccc1 17067010 WYPASOCWHMLSEM-UHFFFAOYSA-N 327.384 2.871 50 50 EFGA COc1ccc2oc(=O)c(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2c1 2846123 UVDVWEUFXZEEKT-UHFFFAOYSA-N 341.275 2.929 50 50 EFGA C/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 13894512 GITAPHSJTJRIOP-WOJGMQOQSA-N 327.775 2.625 50 50 EFGA OB(O)c1cccc(CCOc2ccc(Cl)c3ccccc23)c1 170161318 GWHYATBGYANRCV-UHFFFAOYSA-N 326.588 2.795 50 50 EFGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C[C@H]2[C@]23[C@H]4C=C[C@@H](C4)[C@@]12N=NN3c1ccccc1 254730158 OMGGDHZFRGBBHT-VXWCNMNNSA-N 347.374 2.523 50 50 EFGA COc1ccccc1NC(=O)CCC(=O)N/N=C/c1ccccc1 5662168 DZLSLQHPPTWPSY-CPNJWEJPSA-N 325.368 2.564 50 50 EFGA O=C(N/N=C/c1ccncc1)c1cc(-c2ccccc2Cl)n[nH]1 2370848 LODSTXWOJZKHHG-VXLYETTFSA-N 325.759 2.889 50 50 EFGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccsc4)[C@H]3[C@H]1CC2 229955439 FJJCTRCHQLJSEN-BASLNEPJSA-N 347.447 2.634 50 50 EFGA CCOC(=O)C1=C(C)NC(OCC)=C(C=O)[C@H]1c1cccc(C)c1 4025476 INMDKDGDEZPXRJ-QGZVFWFLSA-N 329.396 2.966 50 50 EFGA Cc1scc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1C 372530 OTEWTNKBEKXLAE-FZSIALSZSA-N 347.352 2.766 50 50 EFGA CCn1nccc1CN(C(=O)[C@@H](F)Cl)c1ccc(OC)cc1 2325898615 OBGBLAKHGSQAEL-CQSZACIVSA-N 325.771 2.979 50 50 EFGA COc1ccc(C(=O)N[C@@H](O)C(Cl)(Cl)[C@H](C)Cl)cc1 3130007 OXPMRRJSHGGVKA-CPCISQLKSA-N 326.607 2.545 50 50 EFGA CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CCCS(C)(=O)=O)C1 328596912 BLVBGALVLSXGOR-CQSZACIVSA-N 335.586 2.907 50 50 EFGA CC[C@@H](Nc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 36047255 MDMMBRFXLBZKSU-CLXYIWAZSA-N 342.355 2.641 50 50 EFGA COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1OC 566464 BWMKMUYCMJAKQQ-VXLYETTFSA-N 348.786 2.886 50 50 EFGA CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC 96415 DYUCJWFKQSMNQB-QGZVFWFLSA-N 340.379 2.909 50 50 EFGA Cn1ccc2cc(C(=O)NCCSSCCC(=O)O)ccc21 1875388683 LWJDQEXVRTUJIO-UHFFFAOYSA-N 338.454 2.764 50 50 EFGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 2566424 UXMOKPASDLQGFT-YBFXNURJSA-N 345.786 2.828 50 50 EFGA C[C@@H](Cl)C(=O)N1CC(c2ncc(OCc3ccccc3)cn2)C1 1875367982 GDSHFBCLBDWACH-GFCCVEGCSA-N 331.803 2.609 50 50 EFGA C/C(=N/NC(=O)COc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 16663336 HRNIMRRFYBEUDC-AQTBWJFISA-N 327.340 2.822 50 50 EFGA Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccccc2)c1 44833 QDCAVHFWSIQHJX-UHFFFAOYSA-N 326.396 2.958 50 50 EFGA O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc(Cl)ccc1O 441874 NWRUFWAVSHDUPA-UHFFFAOYSA-N 339.178 2.703 50 50 EFGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Cl)c1O 469956 JZOXQRIZRFISLH-ZDUSSCGKSA-N 346.770 2.869 50 50 EFGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc2ccccc12 4038108 DCECXXVEKNNRNY-KRWDZBQOSA-N 346.342 2.503 50 50 EFGA biogenic,in-vitro Cc1cccc(C)c1OCC(=O)NN=Cc1ccc2c(c1)OCO2 8666938 FRMIMVWNRBWKBH-UHFFFAOYSA-N 326.352 2.561 50 50 EFGA COc1cccc(/C=N/NC(=O)COc2cccc(C)c2C)c1O 289060 YOAIEFLQEBIQGT-VXLYETTFSA-N 328.368 2.547 50 50 EFGA CC(C)(C)c1n[nH]c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 5095383 LIBORKCFNIZDRJ-LBPRGKRZSA-N 339.355 2.834 50 50 EFGA COc1cccc([C@@H](Br)[C@@H](Br)C(=O)O)c1 1602065 WBRLBWOFKFWFIM-RKDXNWHRSA-N 337.995 2.979 50 50 EFGA CCn1ncc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1C 19840783 VJAJPRLYWXWDJL-PBHICJAKSA-N 332.411 2.805 50 50 EFGA O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)Nc1cccc([N+](=O)[O-])c1 17071198 SUZANBUJOIFNPF-GJZGRUSLSA-N 340.339 2.551 50 50 EFGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2)c1 4209573 DFGITQNVMLJUDM-KEBDBYFISA-N 329.787 2.529 50 50 EFGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1Cl 280681 RTIWUDAGIWKBGU-REZTVBANSA-N 347.714 2.741 50 50 EFGA O=C(N/N=C/c1cccc(O)c1O)c1cccc(Br)c1 1959458 YFCUVXWXMDRMCE-LZYBPNLTSA-N 335.157 2.624 50 50 EFGA COc1cc(/C=N/NC(=O)c2cccc(F)c2)cc(OC)c1OC 298748 RVGYRRXONIWILS-VXLYETTFSA-N 332.331 2.615 50 50 EFGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccccc2Cl)c1 4210394 SOUKQVPUEDNGOG-KEBDBYFISA-N 329.787 2.529 50 50 EFGA COc1ccccc1C(=O)N/N=C1\C(=O)Nc2c1ccc(Cl)c2C 6556442 AQRTZBFMKHSKFP-UHFFFAOYSA-N 343.770 2.743 50 50 EFGA N#CC1=C(N)[C@](C#N)(c2ccc([N+](=O)[O-])cc2)[C@@H](C#N)[C@@H]2CCCC=C12 482926 FZNFUVUESUJZPJ-HHXXYDBFSA-N 345.362 2.972 50 50 EFGA O=C(N/N=C/c1ccncc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 381587 KAGGOERFYFOAQO-VXLYETTFSA-N 325.759 2.889 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3F)[C@H]2C1 33694507 PWWWVQAOIOLFPC-WMZOPIPTSA-N 347.397 2.571 50 50 EFGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1 186360 QGZKGYQMGMBVTG-VCHYOVAHSA-N 340.408 2.814 50 50 EFGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)cc1 2485578 VXRLETULDNPZPI-BMLIUANNSA-N 337.379 2.706 50 50 EFGA CN1C(=O)/C(=N\NC(=O)c2cc3ccccc3cc2O)c2ccccc21 6578684 SIYXGOPYDVGENL-UZYVYHOESA-N 345.358 2.656 50 50 EFGA O=C(N/N=C/c1cccnc1)c1cccc(COCC(F)(F)F)c1 2750973 VFQOHANADGOVBO-ZVBGSRNCSA-N 337.301 2.924 50 50 EFGA O=C(CCl)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 3110940 YSRBCRCOXCHYFP-UHFFFAOYSA-N 327.764 2.836 50 50 EFGA COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 1476795 VCRSAXMMFDCDKW-VCHYOVAHSA-N 340.408 2.814 50 50 EFGA CCOc1ccccc1/C=N/NC(=O)c1ccc(OC)c(OC)c1 3576455 PZXFHWCEEFXPCL-XDHOZWIPSA-N 328.368 2.866 50 50 EFGA C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)c1cnccn1 4551213 ZHTAKNXPPOEUCN-SRZZPIQSSA-N 345.790 2.573 50 50 EFGA C[C@H]1[C@H](C)CCC[C@H]1NC(=S)NNC(=O)c1cccnc1Cl 248533078 SBNSQAFZYJDLMH-JFGNBEQYSA-N 340.880 2.669 50 50 EFGA C[C@H](CC(=O)[C@H]1[C@H](C)C=CCC1(C)C)NNC(=O)c1ccncc1 5041600 DFOMBGOIZRDJAG-CKEIUWERSA-N 329.444 2.902 50 50 EFGA CC[C@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)[C@@H](C)Cl 1875377178 AOQJKIDOANKFSL-CHWSQXEVSA-N 331.865 2.599 50 50 EFGA COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 290960 BJYGPOJUKPHRPP-DEDYPNTBSA-N 337.379 2.586 50 50 EFGA CCOc1ccc(/C(CC)=N/NC(=O)c2n[nH]c3c2CCC3)cc1 19891582 SJUMNHFUXNDACO-XDJHFCHBSA-N 326.400 2.841 50 50 EFGA Cc1nc(N)sc1C(=O)N/N=C/c1cccc(Br)c1 139696 SYAICIAPBDOFEH-GIDUJCDVSA-N 339.218 2.560 50 50 EFGA COCc1ccccc1CN(C(=O)CCl)[C@@H](C)[C@@H]1CCCO1 1875382649 KYOPZKSSXAUIJW-BBRMVZONSA-N 325.836 2.968 50 50 EFGA CCc1cc(C(=O)N/N=C/c2ccc(O)cc2O)c2ccccc2n1 249358 BVOPSNAVMYYQNL-RGVLZGJSSA-N 335.363 2.972 50 50 EFGA Cc1ccc(OCC(=O)NNC(=O)c2cc(Cl)ccc2O)c(C)c1 186285 VKTPLWGPNVHMLN-UHFFFAOYSA-N 348.786 2.502 50 50 EFGA Cc1ccc(O[C@H](C)C(=O)NNC(=S)Nc2ccccc2)cc1 6574116 BAWQXFWUKFEGKY-CYBMUJFWSA-N 329.425 2.780 50 50 EFGA CCOC(=O)COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1 20432389 BMZSAHBKAFEHMC-UHFFFAOYSA-N 337.379 2.910 50 50 EFGA Cn1ncc(Cl)c1C(=O)N/N=C/c1ccccc1C(F)(F)F 371123 MJLNVEDOHVEZQE-NGYBGAFCSA-N 330.697 2.856 50 50 EFGA CC1=C(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CCCO1 159103984 QPPILTQKIKMYSQ-JTQLQIEISA-N 334.441 2.718 50 50 EFGA O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)c1 47024 IUYWFSVKQKTVDS-RGVLZGJSSA-N 335.319 2.804 50 50 EFGA Cn1c(SCC(=O)N/N=C/c2ccccc2O)nc2ccccc21 186604 IWUMIGLLGBWACN-VCHYOVAHSA-N 340.408 2.521 50 50 EFGA O=C(COc1cccc(Cl)c1)NNC(=S)Nc1ccccc1 612597 DEXMJDFRHYJXCM-UHFFFAOYSA-N 335.816 2.737 50 50 EFGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)cc1 2485577 VXRLETULDNPZPI-BTDLBPIBSA-N 337.379 2.706 50 50 EFGA Cc1cc(=O)n(C)c(=O)n1CCCCCCCCBr 2565453 XNFFMGKTEYEWOJ-UHFFFAOYSA-N 331.254 2.591 50 50 EFGA C[C@H](Cl)C(=O)Nc1cc(F)c(OC(F)F)cc1-n1cncn1 1875377606 IGSQWSLETIQCIG-LURJTMIESA-N 334.685 2.574 50 50 EFGA CCc1c(C(=O)NNC(=S)NCCc2ccccc2)csc1C 8682456 SXBJYYWZXKGNLH-UHFFFAOYSA-N 347.509 2.971 50 50 EFGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1 20528887 GMANWMMPLFOLIP-NVXWUHKLSA-N 349.463 2.883 50 50 EFGA COc1ccc(/C(C)=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 4989985 LEINHSILSFUPIJ-WQRHYEAKSA-N 343.339 2.766 50 50 EFGA O=C(NNC(=S)NCc1ccccc1)c1csc2c1CCCC2 374699 OSLUPVYTBHPGQY-UHFFFAOYSA-N 345.493 2.936 50 50 EFGA C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)NN)CC[C@H]12 254546582 VVTXMFGLOIFEKN-NGYREGHCSA-N 332.488 2.916 50 50 EFGA COc1ccccc1NC(=O)C(=O)N/N=C/C(C)=C\c1ccccc1 2544191 RVSQEPVPLHXKNF-RUKGVYQZSA-N 337.379 2.839 50 50 EFGA O=C(CBr)c1cccc(S(=O)(=O)C(F)(F)F)c1 888086816 RPWUNHHSQVTXPL-UHFFFAOYSA-N 331.109 2.558 50 50 EFGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1Br 369665 QGBOHTFCJGRKIW-VGOFMYFVSA-N 338.117 2.714 50 50 EFGA Cc1cccc(NC(=O)NNC(=O)COc2ccc(Cl)cc2)c1 371400 HUVLIJACNYBAAA-UHFFFAOYSA-N 333.775 2.880 50 50 EFGA COc1nc(CNC(=O)[C@@H](C)Cl)ccc1OCc1ccccc1 1875376507 ZFIVMDYGMLDHKY-GFCCVEGCSA-N 334.803 2.913 50 50 EFGA O=C(N/N=C/c1cccn1Cc1cnc(Cl)s1)c1ccncc1 1399327 MBEQVULYZQPWOE-UFWORHAWSA-N 345.815 2.805 50 50 EFGA O=C(N/N=C/c1ccncc1)c1ccn(Cc2ccc(Cl)cc2)n1 5031312 AFNNZLPIGYFJOL-RGVLZGJSSA-N 339.786 2.744 50 50 EFGA Cn1c(CBr)c(Br)c(=O)n1-c1ccccc1 153528 LSYYOEDKPVQNSU-UHFFFAOYSA-N 346.022 2.833 50 50 EFGA CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1O 196648 HUCLGTLOXLSOIP-INIZCTEOSA-N 326.352 2.606 50 50 EFGA Cc1cc(C(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccccc2n1 3056423 YWKWGQZYRLTGNW-UHFFFAOYSA-N 330.347 2.629 50 50 EFGA Cc1n[nH]c2c1[C@H](c1cc(Br)cs1)C(C#N)=C(N)O2 192639 VIJQCQDBDUDSBN-JTQLQIEISA-N 337.202 2.760 50 50 EFGA COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1OC 436858 WAMOBKOFFCNJJU-VXLYETTFSA-N 348.786 2.886 50 50 EFGA CCc1ccc(OCC(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1 32650002 IHMQFKIHJPSDTC-NDENLUEZSA-N 342.395 2.795 50 50 EFGA OB(O)c1ccccc1COc1cc(C(F)(F)F)ccc1Cl 169746626 DNZSKCIEUYUZRA-UHFFFAOYSA-N 330.498 2.618 50 50 EFGA in-vitro COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 3131977 DBBVUFWAAFJLIK-VXLYETTFSA-N 345.786 2.746 50 50 EFGA CCCCCCCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 100840598 QSDGJULAZZUHMG-UHFFFAOYSA-N 332.360 2.728 50 50 EFGA CCOc1cc(/C=N/NC(N)=O)c(Br)cc1OC(C)C 370075 XJWWHFVJQFWYSC-FRKPEAEDSA-N 344.209 2.637 50 50 EFGA Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1 363764 SKAIZFCFXOJRNO-UHFFFAOYSA-N 339.804 2.663 50 50 EFGA aggregator CC(C)(C)[Si](C)(C)Oc1ccc(Br)c(B(O)O)c1F 675050653 NZMKNLOVGTXSAN-UHFFFAOYSA-N 349.081 2.652 50 50 EFGA COc1ccccc1C(=O)/C(C#N)=C\c1ccc2c(c1)NC(=O)CO2 195300841 UAMIKTPEOQSSMW-JYRVWZFOSA-N 334.331 2.816 50 50 EFGA OB(O)c1ccc(COc2cc(C(F)(F)F)ccc2Cl)cc1 169903649 SINBWLIQPYPVCZ-UHFFFAOYSA-N 330.498 2.618 50 50 EFGA in-vitro CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)[C@@H]2CCCC(=O)N2)C1 952847813 QDZJIEFOKJLXKY-KGLIPLIRSA-N 340.540 2.668 50 50 EFGA C/C(=N\NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1 12343127 AOBQNFITXRTIIG-UDWIEESQSA-N 329.787 2.610 50 50 EFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c(C)c1C 242244 ZZUFAMKOEJXFIL-MRXNPFEDSA-N 338.363 2.792 50 50 EFGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCC 5608164 WSGYZONUSLKJMW-INIZCTEOSA-N 340.383 2.734 50 50 EFGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1 58559 DRHBKGCOYTZUTB-CQSZACIVSA-N 348.786 2.559 50 50 EFGA O=C(N/N=C/c1ccc2nonc2c1)c1cc2ccccc2cc1O 1424247 JHTBYCSKROWOOP-VXLYETTFSA-N 332.319 2.846 50 50 EFGA COC(=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169982720 WKZDNFDZRUWHHI-UHFFFAOYSA-N 328.484 2.736 50 50 EFGA COc1cccc2cc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c(=O)oc12 619760 NBINXOVIWVSFLJ-UHFFFAOYSA-N 341.275 2.929 50 50 EFGA CCCc1n[nH]c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 32540517 UGLLTZMPZFKQAV-OAHLLOKOSA-N 340.383 2.598 50 50 EFGA COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc2ccccc12 2568396 ZVWPHYPVPHNXSS-FYJGNVAPSA-N 347.374 2.937 50 50 EFGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Cl)cc1 48086 MHQQZXSDVZZKKC-RQZCQDPDSA-N 333.731 2.777 50 50 EFGA O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F 446288 CMGWGSMHPCWLOH-UHFFFAOYSA-N 344.367 2.602 50 50 EFGA C[C@H](CCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1 101687029 GTBCXYYVWHFQRS-SNVBAGLBSA-N 340.426 2.598 50 50 EFGA CC1(C)OB(c2cc([N+](=O)[O-])ccc2CBr)OC1(C)C 169955906 QXAHEYUNZWPODZ-UHFFFAOYSA-N 341.998 2.789 50 50 EFGA Cc1ccn2c(C(=O)N/N=C\c3ccccc3[N+](=O)[O-])c(C)nc2c1 4460205 JGIWGEZLWQQNCL-ZDLGFXPLSA-N 337.339 2.623 50 50 EFGA CCOC(=O)c1sc(NC(=O)CCCl)c(C(=O)OCC)c1C 2024689 RDEKAEFOTAQJND-UHFFFAOYSA-N 347.820 2.977 50 50 EFGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(Cl)cc1 2509122 CZMCRYKUHPJTBG-KEBDBYFISA-N 329.787 2.529 50 50 EFGA O=C(N/N=C/c1ccc(O)c(O)c1)NC12CC3CC(CC(C3)C1)C2 4737402 IBZLZZUIXRWWSB-VXLYETTFSA-N 329.400 2.700 50 50 EFGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccncc1 59397 IDQNMTXQXYTHTB-INIZCTEOSA-N 347.374 2.864 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(F)c3)[C@@H]2C1 988972 IGXJECVPWRTSLN-MSOLQXFVSA-N 347.397 2.571 50 50 EFGA Cn1cccc1CNC(=O)[C@@]1(c2ccccc2)C[C@H]1Br 1148114249 SFTXZPYELPTBRB-GDBMZVCRSA-N 333.229 2.747 50 50 EFGA C[C@H](Cl)C(=O)Nc1ccc2ncn(-c3ccccc3)c(=O)c2c1 1875380296 KWKKQMLWIZCANN-NSHDSACASA-N 327.771 2.952 50 50 EFGA Cc1nn(C)c(NNC(=O)c2ccc(Oc3ccccc3)o2)c1C#N 1875349525 AOVBYGSYNGSUDS-UHFFFAOYSA-N 337.339 2.742 50 50 EFGA CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)[C@@H]2CCCC(=O)N2)C1 952847812 QDZJIEFOKJLXKY-KBPBESRZSA-N 340.540 2.668 50 50 EFGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1cccnc1 1429573 IHZNTQKSXACDQO-ZDUSSCGKSA-N 341.392 2.846 50 50 EFGA CCc1ccc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 5060773 ZAIVOUKFPSNGED-UHFFFAOYSA-N 334.357 2.685 50 50 EFGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c1 43592 NKBDKRKVRGVADB-INIZCTEOSA-N 326.352 2.519 50 50 EFGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(Cl)c1 260550 IECUZIIBFQGPIV-REZTVBANSA-N 347.714 2.741 50 50 EFGA Cc1cc(C(=O)NNC(=S)NC2CCCC2)c2cccc(C)c2n1 611677 INLKNCFMRATXEL-UHFFFAOYSA-N 342.468 2.903 50 50 EFGA O=C(N/N=C\c1ccccn1)[C@@H]1COc2cc3ccccc3cc2O1 5031122 QSXGNTWICBZJRR-DUQUIBLKSA-N 333.347 2.525 50 50 EFGA Cc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 16667503 WLQNZOXWLUBZRW-STZFKDTASA-N 334.375 2.974 50 50 EFGA O=C(NNc1cc(-c2ccccc2)nc2ncnn12)Nc1ccccc1 221273983 RKYZQDXJGTVAHH-UHFFFAOYSA-N 345.366 2.940 50 50 EFGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(O)cc1 301159 ZLKKJEZOLMEDJU-RQZCQDPDSA-N 349.184 2.684 50 50 EFGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 230451 TZGODVDLHYAZGQ-RQZCQDPDSA-N 349.184 2.927 50 50 EFGA CC(C)(C)OC(=O)N1CC[C@](O)(C(F)(F)F)[C@@H](Br)C1 396137664 MTHBKYXJSOPDME-OIBJUYFYSA-N 348.159 2.684 50 50 EFGA COc1ccc(/C=N/NC(=O)COc2cccc(C)c2)cc1OC 260091 UBAPMBVNTQDXCR-YBFXNURJSA-N 328.368 2.541 50 50 EFGA Cn1ncc(Cl)c1C(=O)NNC(=O)Nc1cccc2ccccc12 371675 RMSVXESWENUCTA-UHFFFAOYSA-N 343.774 2.693 50 50 EFGA COCCN1CC[C@@H](NC(=O)CCl)[C@@H]1c1ccc(Cl)c(F)c1 1875383512 WXEGETSUGZSUQD-HIFRSBDPSA-N 349.233 2.596 50 50 EFGA Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1[N+](=O)[O-] 43746 RMIWVMLKJYKCRR-ZDUSSCGKSA-N 331.353 2.780 50 50 EFGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@@H]2C1 48786 WMDPBNBNNOIBDP-IAGOWNOFSA-N 349.463 2.883 50 50 EFGA O=C(CCN1CCSSCC1)Nc1cc([N+](=O)[O-])ccc1F 685939862 MRLCUWZZMHSSCZ-UHFFFAOYSA-N 345.421 2.760 50 50 EFGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1n[nH]c2c1CCCC2 186385 NWKGDRAXKIYEOI-RGVLZGJSSA-N 334.379 2.911 50 50 EFGA C[C@H]1C=CCC(C)(C)[C@@H]1C(=O)C[C@@H](C)NNC(=O)c1ccncc1 5041599 DFOMBGOIZRDJAG-VBQJREDUSA-N 329.444 2.902 50 50 EFGA CSc1nc(NNC(C)=O)c2c3c(sc2n1)COC(C)(C)C3 477105 XKEOYJRLGXVZJN-UHFFFAOYSA-N 338.458 2.728 50 50 EFGA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNC(=O)c1ccccc1 15134096 OFYGVQXKIOOSLU-PDGQHHTCSA-N 348.406 2.844 50 50 EFGA CC1=N[C@H](C(=O)I)Cc2c1[nH]c1ccccc21 1857790267 RTJVREUWKHJTHJ-NSHDSACASA-N 338.148 2.863 50 50 EFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1OCC 96531 YKTOYPGUSDUNON-INIZCTEOSA-N 328.368 2.730 50 50 EFGA O=[N+]([O-])c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1O 38144572 CSMLPTNBZLGGBF-UHFFFAOYSA-N 339.287 2.940 50 50 EFGA Cc1ccc(NC(=O)N2CCN(C(=O)[C@H](C)Cl)CC2)cc1Cl 1875363648 PFFXFONIHYCCLK-NSHDSACASA-N 344.242 2.952 50 50 EFGA COc1cc(/C=N/NC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OC 271301 NIEXGWXACDDKOY-LICLKQGHSA-N 344.327 2.768 50 50 EFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1F 240796 ZSSDFHYWYJZLIB-CQSZACIVSA-N 334.322 3.000 50 50 EFGA COc1cc(OC)c(/C(C)=N\NC(=O)c2ccccc2O)c(OC)c1 4957969 XEXUTFIYELVTSG-ODLFYWEKSA-N 344.367 2.572 50 50 EFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 1426897 PIZOUDFQBDSZCO-MRXNPFEDSA-N 347.349 2.896 50 50 EFGA O=C1C[C@@]2(C[C@H](Cl)N=N2)C(=O)N1c1ccc(Br)cc1 4698184 LPSVVRZVYWYOIT-SKDRFNHKSA-N 342.580 2.872 50 50 EFGA CCOc1ccc(/C=N/NC(=O)COc2ccccc2C)c(O)c1 314458 NLFHWELGEQLCMI-YBFXNURJSA-N 328.368 2.628 50 50 EFGA O=C(N/N=C\C(Br)=C\c1ccccc1)c1cnccn1 5010096 VZQQEUNBFBIFGK-PSGQQEAGSA-N 331.173 2.628 50 50 EFGA COc1ccccc1C(=O)NNC(=O)COc1ccccc1C(C)C 578710 WRHDOXOCAWOWCL-UHFFFAOYSA-N 342.395 2.659 50 50 EFGA CCCCn1c(=O)c(C(=O)NCCCCl)c(O)c2ccccc21 100498416 PSHNPDNKCIPUGG-UHFFFAOYSA-N 336.819 2.866 50 50 EFGA COc1ccc(/C=N/NC(=O)[C@H](C)Cn2cnc3ccccc32)cc1 181301 MKPWOBWCKUBLTF-VPNURPJOSA-N 336.395 2.831 50 50 EFGA CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)C)cc2)cc1O 432813 WGPDYRLGPLTJSO-XDHOZWIPSA-N 327.384 2.621 50 50 EFGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)cc1 5465650 SLHBQQLFNRYIPS-YBFXNURJSA-N 345.786 2.828 50 50 EFGA COc1cc(/C=N/NC(=O)c2sccc2C)cc(OC)c1OC 370815 OXPATRLELNYLOX-RQZCQDPDSA-N 334.397 2.846 50 50 EFGA O=C(Cc1c[nH]c2ccccc12)NNC(=S)NC1CCCCC1 2539503 MLBAOTQFZQLBOO-UHFFFAOYSA-N 330.457 2.538 50 50 EFGA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1 4899431 GUVOBXQVANZIKH-ZDUSSCGKSA-N 336.344 2.900 50 50 EFGA COc1cc(C(=O)NCCSSCCC(=O)O)ccc1C 1875388816 RKOQQGRJLWZDCV-UHFFFAOYSA-N 329.443 2.590 50 50 EFGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc(Cl)cc1 4229216 UGVBRCHKNCTMHL-VXLYETTFSA-N 325.755 2.945 50 50 EFGA O=C(COc1ccc2ccccc2c1)NNC(=O)c1cccs1 320299 FZSQDLZFJCHJLB-UHFFFAOYSA-N 326.377 2.741 50 50 EFGA aggregator N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(O)c1 284822 PWRGWYBCBVJYRX-OAHLLOKOSA-N 332.315 2.717 50 50 EFGA O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1O 299245 WRBYHQFAUBIBTH-UHFFFAOYSA-N 346.386 2.985 50 50 EFGA Cc1cc(OCC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)nnc1C 170622872 IGMSPNLTZMZYCS-IMFRVGKLSA-N 330.432 2.791 50 50 EFGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1F 72705 PLVXIDZDZRBSAH-GIJQJNRQSA-N 328.372 2.944 50 50 EFGA Cc1ccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c(C)c1 4602310 AIUWCMXJUDQRFY-VXLYETTFSA-N 326.352 2.531 50 50 EFGA CCOc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 491716 JFBMJJVFWIQOIK-WOJGMQOQSA-N 343.339 2.523 50 50 EFGA O=C(N/N=C\c1ccncc1)[C@H]1COc2cc3ccccc3cc2O1 32614432 PRHAVSQUVNCPPP-UTYYKHSJSA-N 333.347 2.525 50 50 EFGA C[C@@H](Cl)C(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1ccc(F)c(F)c1 1875380429 ORHWUJGWCZJQRF-ZWZTZDBGSA-N 328.790 2.986 50 50 EFGA O=C(N/N=C/c1ccco1)c1ccccc1I 588031 KBTHKHIRKQZIAD-RIYZIHGNSA-N 340.120 2.648 50 50 EFGA O=C(NNC(=O)c1ccncc1)Nc1ccc(Cl)c(Cl)c1 5670499 QJQCNBGOXCUBNL-UHFFFAOYSA-N 325.155 2.855 50 50 EFGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cccnc1 48908 WOZMJEMYAGETRK-MRXNPFEDSA-N 347.374 2.864 50 50 EFGA Cc1cccc(NC(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 371379 DMKKZYCQTDVFGV-UHFFFAOYSA-N 328.328 2.678 50 50 EFGA CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)[C@@H](C)Cl)CC1 1875380180 HPMCRMWKDJQXIW-KGLIPLIRSA-N 330.856 2.863 50 50 EFGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1 2675658 YQXNCVAMOBGGIG-KEBDBYFISA-N 329.787 2.529 50 50 EFGA CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 4231415 JBKCGZMEPRVRTP-XSFVSMFZSA-N 338.411 2.622 50 50 EFGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)cc1 4259650 GNJWGMLSMGAARJ-YBFXNURJSA-N 345.786 2.828 50 50 EFGA COc1cccc(C(=O)NNC(=O)c2ccc3ccccc3c2O)c1 260258 IBQNOJACVLFVBP-UHFFFAOYSA-N 336.347 2.629 50 50 EFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccs1 1426905 SVSPVLOGBQCVBT-AWEZNQCLSA-N 335.388 2.818 50 50 EFGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 251046 KADBKVCUSJXYOH-XDHOZWIPSA-N 328.368 2.866 50 50 EFGA Cc1ccc(/C=N/NC(=O)CNC(=O)Nc2cccc(Cl)c2)cc1 2141385 QLDRWQJSHJNOBO-KEBDBYFISA-N 344.802 2.920 50 50 EFGA Cc1ccccc1NC(=O)NNC(=O)c1cc(O)nc2ccccc12 170619919 XYOHIHVLIUOJLE-UHFFFAOYSA-N 336.351 2.715 50 50 EFGA Cc1ccc(/C=C/C(=O)NNc2nc(-c3ccncc3)no2)c(C)c1 110682959 NHCJSDGQYBVTNH-AATRIKPKSA-N 335.367 2.905 50 50 EFGA CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1ccc(F)cc1 19879435 XHIZDWJAHJSDLO-WLGVBFMHSA-N 325.343 2.970 50 50 EFGA CC(=O)C1=C(C)NC(SCC(=O)O)=C(C#N)[C@H]1c1ccccc1 282864 WPTCKFOSWCAVJU-MRXNPFEDSA-N 328.393 2.789 50 50 EFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3)[C@H]2C1 1022465 FPTLOLQFVKCXGF-RBUKOAKNSA-N 343.434 2.820 50 50 EFGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1cccc(Cl)c1 2519918 QFDBQBQUUZICJA-VXLYETTFSA-N 325.755 2.945 50 50 EFGA COc1ccc(NCCCC(=O)N/N=C/c2ccccc2O)cc1 2996066 XNLYZMIDFBIQMX-DEDYPNTBSA-N 327.384 2.743 50 50 EFGA COc1ccc(O)c(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 286384 NMHDSZLWVWBLON-VURRPDKYSA-N 348.786 2.972 50 50 EFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccs2)n[nH]1 5296785 LSHOCQBABGGITP-CXUHLZMHSA-N 341.352 2.810 50 50 EFGA BrCCOCCOCCOCCOCc1ccccc1 1542984457 QOLRJPZRCKWFBQ-UHFFFAOYSA-N 347.249 2.648 50 50 EFGA CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1O 584748 OEJQNOBMPDXRQB-YBFXNURJSA-N 328.368 2.628 50 50 EFGA COc1ccc(/C(C)=N/NC(=O)c2cc(C(C)C)n[nH]2)cc1OC 13646694 RZFTXCWESLHPRE-WOJGMQOQSA-N 330.388 2.704 50 50 EFGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c1C 282981 AXABDYZAGLQEIL-MRXNPFEDSA-N 340.379 2.827 50 50 EFGA CN(C)/C=C(\C#N)C(=O)/N=C/NOCc1c(Cl)cccc1Cl 4001991 CEGXTRQSFNPMFE-JXMROGBWSA-N 341.198 2.539 50 50 EFGA O=C1C[C@]2(CCCN(C(=O)CCCC[C@H]3CCSS3)C2)CN1 170643648 MFWKADQPRBLIQI-XJKSGUPXSA-N 342.530 2.829 50 50 EFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1 3667177 BHZDMRYJUXIQQI-MRXNPFEDSA-N 326.352 2.506 50 50 EFGA O=C(N/N=C/c1ccccc1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 230071 NHQZZVPHQWIBHM-WOJGMQOQSA-N 335.323 2.749 50 50 EFGA O=C(CN1CCCCC1)N/N=C/c1cc2ccccc2nc1Cl 233633 HXOZJDHYGYGOOS-YBFXNURJSA-N 330.819 2.824 50 50 EFGA COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Cl 13520085 HFMHKSVQSVQZDZ-UHFFFAOYSA-N 349.843 2.909 50 50 EFGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1cccc(F)c1 5730116 NRZUJZHSQXAYTL-RGVLZGJSSA-N 338.342 2.789 50 50 EFGA CCOc1cc(/C=N\NC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1O 32617907 WRKAZXHJPOIHKE-ZDLGFXPLSA-N 330.388 2.575 50 50 EFGA COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1Cl 291111 BQJZVWBLEGWKSF-LEKRSAHOSA-N 346.770 2.639 50 50 EFGA COc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1OC 3149460 AMKBXAPFYLTHRU-XDHOZWIPSA-N 327.384 2.534 50 50 EFGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2Cl)C2=C1CCCC2=O 72350 ABEVPTIRWDFIDX-MRXNPFEDSA-N 342.830 2.917 50 50 EFGA COCc1nc(C)c(C(=O)OC[C@@]2(C)C[C@@H]2Br)s1 888099471 LIZJNRWRHVBDNK-QPUJVOFHSA-N 334.235 2.928 50 50 EFGA Cn1/c(=N\NC(=O)Nc2ccc3c(c2)OCO3)sc2ccccc21 222050571 HMAYFSGCQNHLQH-KNTRCKAVSA-N 342.380 2.606 50 50 EFGA O=C(COc1ccccc1Cl)N/N=C/c1ccccc1[N+](=O)[O-] 566411 WJODONYFTXMPLS-RQZCQDPDSA-N 333.731 2.777 50 50 EFGA Cc1ccc(NCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(C)c1 358256 MRVXECNBMTVSSO-VXLYETTFSA-N 326.356 2.774 50 50 EFGA C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cccnc1 15934382 SGGKYAWMBWMNKB-WOJGMQOQSA-N 332.201 2.927 50 50 EFGA C[C@H](Cl)C(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 1875363975 GMIKHDZQWVXCRC-AWEZNQCLSA-N 344.846 2.810 50 50 EFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(O)c(O)c1 196705 CSUIFALCJSGFHD-OAHLLOKOSA-N 326.352 2.549 50 50 EFGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(F)c2)[C@H]2CSCC=C12 19874989 JWUYAWQXVCDGMQ-JKSUJKDBSA-N 336.395 2.982 50 50 EFGA O=C(CCl)N1CCN([C@@H](c2ccccc2)C2CCOCC2)CC1 1875386917 DWCGNWLFDAOFSP-SFHVURJKSA-N 336.863 2.537 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3)[C@@H]2C1 13479780 PSSVTCUXUCQBCL-QZTJIDSGSA-N 347.397 2.571 50 50 EFGA CCc1cccc(C(C)(C)C)c1NC(=S)N/C=C(\C#N)C(N)=O 102308167 KYFOIAWKPSURFK-ZRDIBKRKSA-N 330.457 2.726 50 50 EFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3)[C@@H]2C1 5799164 FPTLOLQFVKCXGF-RTBURBONSA-N 343.434 2.820 50 50 EFGA CC/C(=N/NC(=O)c1cc(OC)cc(OC)c1)c1cc(O)ccc1O 13321762 MWOWLLUMXYXOFV-MNDPQUGUSA-N 344.367 2.659 50 50 EFGA O=C(CCl)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 1875378011 TXIGNCKIDWYVOZ-NSHDSACASA-N 327.812 2.826 50 50 EFGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1OC 207323 KFXRQLWEWVNXLY-GOSISDBHSA-N 337.379 2.894 50 50 EFGA COc1cccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)c1 5318989 DBUAMNZOVDLIHH-YBFXNURJSA-N 336.351 2.555 50 50 EFGA O=C(CCl)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 1446111 AJZADVIQBNWEHK-UHFFFAOYSA-N 331.755 2.866 50 50 EFGA CC/C(=N/NC(=O)c1n[nH]cc1Br)c1cccs1 6855774 UUYBPDCYGFMKGT-ZSOIEALJSA-N 327.207 2.778 50 50 EFGA COC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)CC(=O)N1 8973095 ZBCFBPYJRHOKAV-JTQLQIEISA-N 336.800 2.585 50 50 EFGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 186319 DHJZAXSEIXJAEQ-VCHYOVAHSA-N 340.408 2.814 50 50 EFGA CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccccc1Cl 194018 ULPGJNDYHFETTA-GFCCVEGCSA-N 329.183 2.750 50 50 EFGA C=CCOc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229143 MVUBTKUYVISPGK-FYJGNVAPSA-N 347.374 2.857 50 50 EFGA COC(=O)N1[C@@]2(C)C[C@@H](Br)[C@@H](Br)C[C@@]12C 101042683 YTEVIEXXRRVNPO-FZVWYJBASA-N 341.043 2.907 50 50 EFGA CCn1c(SCC(=O)N/N=C/c2ccccn2)nc2ccccc21 55589 ORLYKLWXTAKRFX-YBFXNURJSA-N 339.424 2.694 50 50 EFGA C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1 100300293 OGHMNHAQTLGLSJ-XDHOZWIPSA-N 340.339 2.729 50 50 EFGA Cc1[nH]c2ccc(C(=O)NNc3nc4ccccc4c(=O)[nH]3)cc2c1C 137150703 MMANWUDPGJOAPA-UHFFFAOYSA-N 347.378 2.778 50 50 EFGA COC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 8973579 KCSZCWYFXLIIHE-NSHDSACASA-N 336.800 2.585 50 50 EFGA NNC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 9015328 QNKJABKYALCFPG-UHFFFAOYSA-N 342.786 2.913 50 50 EFGA Cc1cc(=O)[nH]c(-c2cccc(NC(=O)/C(C#N)=C\c3ccco3)c2)n1 130886069 IRDFBDYPGDBXED-UVTDQMKNSA-N 346.346 2.884 50 50 EFGA CO[C@@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1 50435 ZEKJGXCVUBRMBX-SAZDUXMNSA-N 337.423 2.765 50 50 EFGA O=C(NNC(=S)NCc1ccco1)c1csc2c1CCCC2 17070657 ZRIFLZSTRRRPLA-UHFFFAOYSA-N 335.454 2.529 50 50 EFGA C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1 3096769 ZBMMXJQOIZBBIF-DEDYPNTBSA-N 340.379 2.789 50 50 EFGA C[C@@H](Cl)C(=O)Nc1ccc(=O)n(Cc2ccc(F)cc2F)c1 1875380177 HOXIVRXEABPONL-SECBINFHSA-N 326.730 2.741 50 50 EFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccccc1F 1427323 GPDLIARMQUAXLJ-INIZCTEOSA-N 347.349 2.896 50 50 EFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3F)[nH]n2)cc1 5297707 SUTOFUPSGADHCD-RGVLZGJSSA-N 338.342 2.988 50 50 EFGA CO/N=C/C(C#N)=C/c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cn1C 3046903 CIXRRIMXXWVWGD-GXOOYUHISA-N 338.323 2.703 50 50 EFGA CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)CCl 1875369728 CVTVVHGFTYBABV-CQSZACIVSA-N 338.835 2.703 50 50 EFGA C#CCCC1(CCC(=O)NNc2cccc(C(=O)OC)c2C)N=N1 2325804689 GKOUJKLKOPVQAN-UHFFFAOYSA-N 328.372 2.580 50 50 EFGA Cc1ccc(C)c(C(=O)NCCSSCCC(=O)O)c1O 1875388971 WUNZALVONGOYII-UHFFFAOYSA-N 329.443 2.595 50 50 EFGA COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1 15685873 ZOBACXSEVSUAES-PTNGSMBKSA-N 336.347 2.784 50 50 EFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccsc1 1426902 VQVKDDIDRCAFKV-AWEZNQCLSA-N 335.388 2.818 50 50 EFGA O=C(NNC(=O)c1ccc(Cl)s1)Nc1ccc2c(c1)OCO2 611322 BCWYUANLSUIZJL-UHFFFAOYSA-N 339.760 2.597 50 50 EFGA Cc1sccc1CN(C[C@@](C)(O)C(F)(F)F)C(=O)CCl 1875382760 PLBFKCGBXBYELM-LLVKDONJSA-N 329.771 2.937 50 50 EFGA CC(C)(C)OC(=O)NNC1CCN(C(=O)OCc2ccccc2)CC1 35846148 KCELIGHSCQKNIR-UHFFFAOYSA-N 349.431 2.817 50 50 EFGA in-vitro O=C(NN=Cc1ccccc1C(F)(F)F)c1cc(O)c(O)c(O)c1 252680335 ZHRRDCOZIVVSJG-UHFFFAOYSA-N 340.257 2.586 50 50 EFGA O=C(O)CCSSCCNC(=O)CCc1cc(F)cc(F)c1 1875388623 IYMKLRSGIZHYIM-UHFFFAOYSA-N 349.424 2.870 50 50 EFGA COc1ccc(/C=N/NC(=O)c2cc(C)oc2C)c(OC)c1OC 381501 CZCBNYTULQKKNN-GIJQJNRQSA-N 332.356 2.686 50 50 EFGA COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 2568397 CLJINUBUIWSYSS-FYJGNVAPSA-N 347.374 2.937 50 50 EFGA O=C(NNC(=O)c1cccc(Br)c1)c1ccc(F)cc1 292634 QVRUVTYWXOBEPE-UHFFFAOYSA-N 337.148 2.663 50 50 EFGA N#Cc1c(NC(=O)CCl)c(C(=O)c2ccccc2)n2c1CCC2 440400 ONCXYOTVJLUZDH-UHFFFAOYSA-N 327.771 2.714 50 50 EFGA O=C(CCCCC(=O)NNc1ccccc1)NNc1ccccc1 3130481 NHDZJQOOKFWONW-UHFFFAOYSA-N 326.400 2.833 50 50 EFGA CCSc1cc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)c(C)o1 618575 LUGUILBIPHXDCT-CQSZACIVSA-N 334.397 2.955 50 50 EFGA COc1cccc(CN(Cc2cccnc2)C(=O)CCl)c1OC 1875375625 GJLXSRISHJWTFM-UHFFFAOYSA-N 334.803 2.866 50 50 EFGA O=C(N/N=C/c1cc(Br)ccc1O)c1cccs1 228067 GNYPIZMCVMSWEK-VGOFMYFVSA-N 325.187 2.980 50 50 EFGA O=C(CNC(=O)Nc1cccc(Cl)c1)N/N=C/Cc1ccccc1 4828622 ZUVDFLPUQKHMNV-KEBDBYFISA-N 344.802 2.806 50 50 EFGA CC1(C)OB(c2ccc(OCCBr)cc2)OC1(C)C 169746274 NTTOMYNPPZBRBG-UHFFFAOYSA-N 327.027 2.760 50 50 EFGA in-vitro Cc1cc(C)c([N+](=O)[O-])c(C)c1C1C(C#N)=C(N)SC(N)=C1C#N 19797659 QMUSLDOBOBQBEP-UHFFFAOYSA-N 341.396 2.738 50 50 EFGA Cc1cccnc1OC1CCN(S(=O)(=O)CCCCCl)CC1 241466093 NUTSPAYBLSXVCC-UHFFFAOYSA-N 346.880 2.582 50 50 EFGA COc1cc(C(=O)N/N=C/c2ccsc2C)cc(OC)c1OC 432817 AYVUMJJNEANSDG-RQZCQDPDSA-N 334.397 2.846 50 50 EFGA O=C(CCC(=O)Nc1cccc([N+](=O)[O-])c1)NN=C1CCCCC1 5765423 DGTODNVLBSXTSM-UHFFFAOYSA-N 332.360 2.750 50 50 EFGA O=C1[C@H](Cl)O[C@](O)(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]12Cl 6862751 BZGQLKJNISWUDN-GBNDHIKLSA-N 346.808 2.694 50 50 EFGA O=C(CSCc1ccccc1)NNC(=S)NCc1ccccc1 6529549 PAVLPKAMFXXFOM-UHFFFAOYSA-N 345.493 2.615 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(F)c3)[C@@H]2C1 13479767 IGXJECVPWRTSLN-QZTJIDSGSA-N 347.397 2.571 50 50 EFGA CN(C)c1cccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2Cl)c1 1775996420 AEAIXBNTOYRWJB-VXLYETTFSA-N 345.786 2.868 50 50 EFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 13512636 OMEVRFWLDALZEV-IAGOWNOFSA-N 349.825 2.695 50 50 EFGA N#C/C(=C\c1ccc(O)cc1)C(=O)NCCc1c(F)cccc1F 221899416 CPOYUNQMHIIUJY-JLHYYAGUSA-N 328.318 2.936 50 50 EFGA CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(Cl)Cl)cc1 617324 MMLATPXWPDELGA-MRVPVSSYSA-N 339.244 2.506 50 50 EFGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(C2CC2)n[nH]1 6493874 DFNMQUBKGZRZEN-FRKPEAEDSA-N 349.188 2.519 50 50 EFGA O=C(Cc1cccc2c1CCCC2)N/N=C/c1ccc2c(c1)OCO2 43761207 QFHHEDCAUJWAFI-CIAFOILYSA-N 336.391 2.987 50 50 EFGA CCn1cc(C(=O)NN)c(=O)c2cc(F)c(NC3CCCCC3)cc21 117919 SAZQIQDVONFJHO-UHFFFAOYSA-N 346.406 2.509 50 50 EFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 35895422 OMEVRFWLDALZEV-IRXDYDNUSA-N 349.825 2.695 50 50 EFGA Cn1c(SCC(=O)N/N=C/c2ccccc2F)nc2ccccc21 55621 IJJXTPDVRHVGPN-VXLYETTFSA-N 342.399 2.955 50 50 EFGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)cc1 4335831 KTIIPURYDIKMJH-YBFXNURJSA-N 329.787 2.991 50 50 EFGA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(B(O)O)c1 169744365 LMBBYNIBIICXJK-UHFFFAOYSA-N 344.390 2.579 50 50 EFGA Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccccc2O)c1 5548203 DEOQPBDIZNYWTP-XDHOZWIPSA-N 325.368 2.570 50 50 EFGA CCn1ncc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1C 19840787 VJAJPRLYWXWDJL-RHSMWYFYSA-N 332.411 2.805 50 50 EFGA O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 562540 IWUGWMSVTWISEH-GIJQJNRQSA-N 332.743 2.567 50 50 EFGA COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1O 566539 IULMXTMTVLZKFC-GIJQJNRQSA-N 334.759 2.583 50 50 EFGA CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)[C@@H](O)c1ccccc1 12343068 KZJBSZPXXBGTGL-JMYADPNJSA-N 338.363 2.654 50 50 EFGA COc1ccc(N2C(S)=C(C#N)C(=O)NC23CCCCC3)cc1 613201 ZBNBGBHHMXWEFC-UHFFFAOYSA-N 329.425 2.957 50 50 EFGA CC(C)(O)C(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1 32578348 UWVSOTJXRCDIQH-OQTFOHMESA-N 338.407 3.000 50 50 EFGA O=S(=O)(O)c1cccc(P(c2ccccc2)c2ccccc2)c1 59402009 ITPOKAFWZBFZCV-UHFFFAOYSA-N 342.356 2.692 50 50 EFGA in-vitro COc1cc(/C=N/NC(=O)c2cc(C)oc2C)cc(OC)c1OC 228281 VXUDWQQBBUACAE-GIJQJNRQSA-N 332.356 2.686 50 50 EFGA COc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1OC 34200761 FLVSEVZGYUOTRH-SRZZPIQSSA-N 337.379 2.878 50 50 EFGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2cccn2C)n[nH]1 232643 YWSFVNILVDNXES-XDHOZWIPSA-N 337.383 2.578 50 50 EFGA C/C(=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2)c1ccc(N)cc1 5296829 MGCBUZKWDGFVGX-WSDLNYQXSA-N 345.406 2.912 50 50 EFGA CCC(=O)NNC(=S)Nc1ccc(Br)cc1Cl 6396438 UWHBHSZXWQSURX-UHFFFAOYSA-N 336.642 2.830 50 50 EFGA Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)ccc21 4810686 GFZFEXKBJWMKMT-DHDCSXOGSA-N 333.347 2.639 50 50 EFGA CCn1ncc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C 37399 AFBCZDQOPIIENE-HNNXBMFYSA-N 326.400 2.662 50 50 EFGA O=C(N/N=C\c1ccccn1)[C@H]1COc2cc3ccccc3cc2O1 5031119 QSXGNTWICBZJRR-UTYYKHSJSA-N 333.347 2.525 50 50 EFGA O=C(O)c1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 5687376 MODJLDYPIMHSEF-RQZCQDPDSA-N 340.364 2.600 50 50 EFGA Cc1cc2c(c(=O)o1)[C@H](c1ccc(Br)o1)C(C#N)=C(N)O2 207823 FHMLYSIXJNSQIA-NSHDSACASA-N 349.140 2.522 50 50 EFGA COc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc(O)cc1 2143628 PFAPDCRLTCWSHB-UHFFFAOYSA-N 335.747 2.521 50 50 EFGA C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1O 4261207 OYHYKTUWCDLIIX-UDWIEESQSA-N 337.379 2.518 50 50 EFGA COc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 4372617 FMKAOHJPTSUEBD-HWQJWEFDSA-N 343.339 2.521 50 50 EFGA O=C1CC2(CCN(C(=O)[C@@H](F)Cl)CC2)Oc2ccc(F)cc21 2325898563 LPESZWVIVUJXMT-CYBMUJFWSA-N 329.730 2.687 50 50 EFGA CC(=O)c1cccc(NC(=S)NNC(=O)CCc2ccccc2)c1 6385747 OBBGXCGOYMTLGM-UHFFFAOYSA-N 341.436 2.840 50 50 EFGA Cc1ccc(-c2ccc(/C=N/NC(=O)c3nonc3N)o2)cc1Cl 275908 HPPNSAANEAWYFT-CNHKJKLMSA-N 345.746 2.638 50 50 EFGA O=C1[C@H](Cl)O[C@](O)(Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@@]12Cl 254565827 BZGQLKJNISWUDN-JWXFUTCRSA-N 346.808 2.694 50 50 EFGA CCc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3)CC2=O)cc1 59896 BGPKTQHEOSJNOL-RSZPVBOMSA-N 335.407 2.752 50 50 EFGA O=S(=O)(c1ccccc1)N1[C@H]2CC=C[C@H](Br)CC[C@H]21 71785416 HQSWHQYJVQENOD-CLJRNHLWSA-N 342.258 2.932 50 50 EFGA O=C(N/N=C1\CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21)c1ccncc1 439987 BAVUMXJNNFZFPE-LTGZKZEYSA-N 349.350 2.942 50 50 EFGA O=C(N/N=C/c1ccc(O)c(O)c1O)c1ccc(Cl)cc1Cl 440505 RVKXOSUKVOSSRW-UBKPWBPPSA-N 341.150 2.874 50 50 EFGA O=C1C[C@@]2(CCCN(C(=O)CCCC[C@@H]3CCSS3)C2)CN1 170643641 MFWKADQPRBLIQI-CJNGLKHVSA-N 342.530 2.829 50 50 EFGA CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)[C@@H](C)Cl)CC1 1875380182 HPMCRMWKDJQXIW-ZIAGYGMSSA-N 330.856 2.863 50 50 EFGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccncc2)[nH]n1 232908 XEMZSBHFQOLHNB-UDWIEESQSA-N 335.367 2.634 50 50 EFGA Cc1n[nH]c2c1[C@@H](c1c(C)nn(-c3ccccc3)c1C)C(C#N)=C(N)O2 32465135 UDAHNFVDPRZCCX-QGZVFWFLSA-N 346.394 2.739 50 50 EFGA Cc1ccc(-c2cc(CN3CC[C@H](NC(=O)CCl)C3)on2)cc1 1875384480 QKNFDKDZCPNQHK-AWEZNQCLSA-N 333.819 2.579 50 50 EFGA O=C1Nc2ccccc2/C1=N\NC(=O)c1cccc(Br)c1 5731670 CBMIZMDLIPTNIX-UHFFFAOYSA-N 344.168 2.535 50 50 EFGA CCCCc1ccc(NC(=O)c2ccc(B(O)O)c(Cl)c2)cc1 169744434 IKCAHNVPPJULRL-UHFFFAOYSA-N 331.608 2.615 50 50 EFGA CCCc1ccc(OCC(=O)N/N=C\c2cc(OC)ccc2O)cc1 55483946 YOLZQLWFBIXLIX-NDENLUEZSA-N 342.395 2.882 50 50 EFGA CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)[C@@H](C)Cl)cc1 1875364268 MWPBPRXZQQIZQH-CHWSQXEVSA-N 340.851 2.786 50 50 EFGA CCn1ncc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1C 19840791 VJAJPRLYWXWDJL-YOEHRIQHSA-N 332.411 2.805 50 50 EFGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccc(C)cc1 4677188 UMZBQUORMUTLRT-RCCKNPSSSA-N 339.395 2.895 50 50 EFGA O=C(Cn1c(=O)sc2ccccc21)Oc1ccc([N+](=O)[O-])cc1 5740001 DIYOSXYMRNBIPE-UHFFFAOYSA-N 330.321 2.577 50 50 EFGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccncc1 1422115 HBIKCBRAMORLLY-AWEZNQCLSA-N 333.372 2.875 50 50 EFGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 2509121 BSJIRCPGHDHLLH-KEBDBYFISA-N 329.787 2.529 50 50 EFGA N#C/C(=C\c1cccc2ccccc12)c1nn(CCO)c(N)c1C#N 4474695 ACYKMQHFKZVFEB-XNTDXEJSSA-N 329.363 2.547 50 50 EFGA CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 262445 RMWSGSBZOVRKLO-NTEUORMPSA-N 326.352 2.910 50 50 EFGA Cc1cccc(C(=O)NNC(=S)Nc2ccccc2)c1[N+](=O)[O-] 439133 XCBQXSXHEGJFJS-UHFFFAOYSA-N 330.369 2.535 50 50 EFGA CCCc1n[nH]c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 4740107 BDGSLSCWWPISTB-HNNXBMFYSA-N 340.383 2.598 50 50 EFGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1O 36781 YKNBWYUQARFGAW-INIZCTEOSA-N 340.379 2.852 50 50 EFGA COc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)c(OC)c1 276749 HZPBMIIBKALIRA-XDHOZWIPSA-N 327.384 2.534 50 50 EFGA N#CC1=C(N)[C@](C#N)(c2ccc([N+](=O)[O-])cc2)[C@H](C#N)[C@H]2CCCC=C12 19827347 FZNFUVUESUJZPJ-KVSKMBFKSA-N 345.362 2.972 50 50 EFGA COc1ccccc1/C=N/NC(=O)[C@@H](C)Cn1cnc2ccccc21 544658 HGACQYGBLCDJOE-FVUPAENESA-N 336.395 2.831 50 50 EFGA O=C(CN1CCCCCC1)N/N=C/c1ccc(Br)cc1 4990679 BSTJTCYRDCEOBQ-GZTJUZNOSA-N 338.249 2.775 50 50 EFGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/C=C/c1ccco1 2762391 CRKYAHQHAUQTHJ-FFJLXHKCSA-N 329.312 2.771 50 50 EFGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cccc2ccccc12 4326831 KDJGVTILLINTDH-FSJBWODESA-N 349.365 2.859 50 50 EFGA O=C(N/N=C/c1cccs1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 448598 DPHRWPSMQBGDJW-PBFYJAPKSA-N 347.827 2.905 50 50 EFGA CC(C)/N=C1/S[C@H]2CS(=O)(=O)[C@H](Br)[C@@]2(C)S1 334163088 LGLVMTROHNJGDS-FTITWWOASA-N 344.321 2.508 50 50 EFGA COc1ccc(/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 12343206 IOYOSHMPBNPQRS-WOJGMQOQSA-N 343.339 2.766 50 50 EFGA O=C(COc1ccccc1Cl)N/N=C/c1cccc([N+](=O)[O-])c1 566461 HEWVOWVMHSOUMU-RQZCQDPDSA-N 333.731 2.777 50 50 EFGA COc1cc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)ccc1O 72444 SWAUFEAYABALDK-RQZCQDPDSA-N 342.380 2.616 50 50 EFGA CN(C)N1C(N)=C(C#N)[C@H](c2cccs2)C2=C1CC(C)(C)CC2=O 72406 ZMBFYTOJFYKXFM-OAHLLOKOSA-N 342.468 2.961 50 50 EFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccccc1 1427245 KCNXNRFKTQMFII-INIZCTEOSA-N 329.359 2.757 50 50 EFGA Cc1cc(C(=O)N/N=C/C(Br)=C/c2ccccc2)[nH]n1 8556204 NTYYUZQHJRSYJQ-OOBCCFMBSA-N 333.189 2.870 50 50 EFGA C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C#N 252628706 SWAJIWWXRRYRDI-PAPWGAKMSA-N 329.440 2.744 50 50 EFGA biogenic O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cl)c(B(O)O)c1 169744295 JISRVYPGQJIELD-UHFFFAOYSA-N 344.390 2.579 50 50 EFGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 299629 PTQHNQTWLBUDMT-UHFFFAOYSA-N 341.367 2.967 50 50 EFGA CC(C)(C)c1conc1C(=O)NCCSSCCC(=O)O 1875388964 WRPJNIFAFQLBIB-UHFFFAOYSA-N 332.447 2.558 50 50 EFGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(O)cc1 554586 GUOSWZLRAXDOGY-RQZCQDPDSA-N 326.381 2.511 50 50 EFGA COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)c1 4366373 NGNWYUDJZWPIRG-HWQJWEFDSA-N 343.339 2.521 50 50 EFGA C[C@H](NC(=O)CCl)c1nc(-c2ccc(Br)cc2)no1 1253968172 KQGQNTHNJDMBEJ-ZETCQYMHSA-N 344.596 2.915 50 50 EFGA O=C(NNC(=O)C1CCCCC1)c1ccc(Br)cc1 443448 ZUORSWVZRKYZSA-UHFFFAOYSA-N 325.206 2.790 50 50 EFGA O=C(/C=C/c1ccccc1)NCC(=O)N/N=C/C=C/c1ccccc1 2894316 JATBELFKDDLPPW-HSAFBGTQSA-N 333.391 2.631 50 50 EFGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C1CCCC2=O 74974 IEZYRBSIUKLLAL-MRXNPFEDSA-N 342.830 2.917 50 50 EFGA COc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2O)cc1 260262 DDJUACIDSNNEBS-UHFFFAOYSA-N 336.347 2.629 50 50 EFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCC2(CC1)OCCO2 522903 KNQRFJRNEDUILA-UHFFFAOYSA-N 344.411 2.657 50 50 EFGA CCOc1cccc(/C=N/NC(=O)CNc2cccc(C)c2)c1O 3136510 OGPKAIULCBZPNJ-RGVLZGJSSA-N 327.384 2.662 50 50 EFGA O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)CCl)C1)c1ccccc1 1875375279 XAKGHVZMCXVWOQ-CYBMUJFWSA-N 346.818 2.607 50 50 EFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c(O)c1 435520 JRJKAPPILODPEW-YBFXNURJSA-N 336.351 2.555 50 50 EFGA O=C(N/N=C/c1cccc(O)c1)c1n[nH]c2c1CCc1ccccc1-2 6161382 ZBHSAMPSJSJVOL-RGVLZGJSSA-N 332.363 2.645 50 50 EFGA N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@H]1c1ccc(F)cc1 91208 OHBPHEISTUCUBK-AWEZNQCLSA-N 333.326 2.829 50 50 EFGA COc1ccc(NC(=O)C(=O)N/N=C(C)/C=C/c2ccccc2)cc1 43639805 UQBHHBRBDSXXDT-QULCHTJLSA-N 337.379 2.839 50 50 EFGA Cc1ccc(C(=O)N/N=C\c2ccc(I)o2)o1 5008657 OCVNPUBZHPLWKA-MLPAPPSSSA-N 344.108 2.550 50 50 EFGA O=C(NNC(=O)c1ccncc1)Nc1ccc(Cl)cc1Cl 16648293 JRGHXWCUDXQEDU-UHFFFAOYSA-N 325.155 2.855 50 50 EFGA O=C(Nc1cccc(Cl)c1Cl)c1ccc(B(O)O)c(Cl)c1 169744123 GZRMDXGEPWNCAV-UHFFFAOYSA-N 344.390 2.579 50 50 EFGA COc1cc(Cl)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 470443 OHUKXYKIUXCQQX-CQSZACIVSA-N 346.774 2.607 50 50 EFGA O=C(CCN1CCCCC1)N/N=C/c1ccc(Br)cc1 5073534 GQUOJRXBJJSJJI-SFQUDFHCSA-N 338.249 2.775 50 50 EFGA CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)CBr 169331647 ZESJMRMPDHYYNY-UHFFFAOYSA-N 343.221 2.850 50 50 EFGA CCc1ccc(OCC(=O)NNC(=S)Nc2ccccc2)cc1 486481 RNKIQEDUDUBAHC-UHFFFAOYSA-N 329.425 2.646 50 50 EFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(OC)c1 2491178 WLIXURAPRYNKFS-INIZCTEOSA-N 326.352 2.506 50 50 EFGA O=C(NN=C(NC1CCCCC1)NC1CCCCC1)c1ccncc1 96026871 FZVUITBZVBMSJA-UHFFFAOYSA-N 343.475 2.927 50 50 EFGA C/C(=N/NC(=O)C(C)(C)C)c1cccc(NC(=O)c2ccnn2C)c1 17071399 VVQRTODYRMKQCC-MTJSOVHGSA-N 341.415 2.559 50 50 EFGA NNC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 2568592 NYLNPUBHELIGGT-UHFFFAOYSA-N 345.580 2.878 50 50 EFGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 2553800 QATIIXNYGYSJEK-XSFVSMFZSA-N 339.395 2.954 50 50 EFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)cc1 4927988 SJNHVUPJEYSCRY-YBFXNURJSA-N 336.351 2.555 50 50 EFGA N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1cccs1 100406060 JANLCICVIXGIPG-ZDUSSCGKSA-N 334.356 2.889 50 50 EFGA COc1cccc(OCC(=O)N/N=C2\CCOc3c(C)cccc32)c1 376705 ZIRCOMQAJRGDBQ-LVZFUZTISA-N 340.379 2.685 50 50 EFGA Cc1cccc(/N=C2\NC[C@H](CI)S2)n1 333715 YLEYSEPHAJLDET-QMMMGPOBSA-N 333.198 2.518 50 50 EFGA C[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccc2ccccc2c1 176149889 IPUXLNZOELKMRM-AWEZNQCLSA-N 348.406 2.869 50 50 EFGA CN1CC=C2[C@H](C1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 19828078 PJKGAOPDWIODDM-YOEHRIQHSA-N 349.825 2.695 50 50 EFGA CC(=O)O[C@H]1[C@H](OC(C)=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C 169744766 HSYXDFIWVSUKFT-KFWWJZLASA-N 344.480 2.784 50 50 EFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@H]2C1 4102688 FPTLOLQFVKCXGF-MOPGFXCFSA-N 343.434 2.820 50 50 EFGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1nnc(O)c2ccccc12 1875254068 INPXSUSWMXBGGW-WLXGWMSGSA-N 336.395 2.877 50 50 EFGA Cc1cccc(/C=N/NC(=O)c2nn(C)c(C)c2Br)c1 355724 YCGMIJHJEKLVOW-LZYBPNLTSA-N 335.205 2.563 50 50 EFGA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(B(O)O)c(Cl)c1 169744340 KCUSLFCYAXJIBF-UHFFFAOYSA-N 344.390 2.579 50 50 EFGA COc1ccc(/C(C)=N/NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 252489789 KALAFTABHHCBPB-LDADJPATSA-N 327.340 2.686 50 50 EFGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Cl)s2)n[nH]1 13115017 GMCGFNQTPBLQEE-CAOOACKPSA-N 331.788 2.951 50 50 EFGA O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CCCC2(CCC2)C1 1875292589 NCSXYYXEUPAMIJ-ZDUSSCGKSA-N 327.388 2.935 50 50 EFGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccccc1C 4416385 WXFLDYSRQHBUCE-RCCKNPSSSA-N 339.395 2.895 50 50 EFGA COCCC1(CN(C(=O)CCl)c2ccn(C)n2)CCCCC1 1875382331 YHOSBRULLBIMOH-UHFFFAOYSA-N 327.856 2.979 50 50 EFGA Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1[N+](=O)[O-] 43745 RMIWVMLKJYKCRR-CYBMUJFWSA-N 331.353 2.780 50 50 EFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc1 182682 AZKQHWXNQRGCQW-MRXNPFEDSA-N 345.358 2.755 50 50 EFGA CC(=O)C1=C(C)NC(SCC(=O)O)=C(C#N)[C@@H]1c1ccccc1 282861 WPTCKFOSWCAVJU-INIZCTEOSA-N 328.393 2.789 50 50 EFGA CSc1nnc(CCCNC(=O)[C@H](C)Cl)n1C1CCCC1 1875363780 AANGFOJWGUFEJX-JTQLQIEISA-N 330.885 2.791 50 50 EFGA C[C@@H](Cl)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 1875377604 IFFUXVORZXMZHS-XCBNKYQSSA-N 332.713 2.656 50 50 EFGA C/C=C(\C)N(C(C)=O)N(C(C)=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4582777 BVPQATOKYQCRHM-WEVVVXLNSA-N 336.304 2.543 50 50 EFGA O=C(CC1CCCCC1)NNC(=S)Nc1ccc2c(c1)OCCO2 6402633 LDWALYNARSDQLO-UHFFFAOYSA-N 349.456 2.746 50 50 EFGA N#Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1 444779 PIQHPFVVWFWCRZ-VXLYETTFSA-N 336.376 2.942 50 50 EFGA C=CCCCCCCCCC(=O)NNC(=S)NC[C@H]1CCCO1 6645090 WWNCHKZETFPXNI-OAHLLOKOSA-N 341.521 2.968 50 50 EFGA CC(C)CNC(=S)NNC(=O)c1csc2c1CC[C@@H](C)C2 8681009 UEVJINGODJMHNY-SNVBAGLBSA-N 325.503 2.638 50 50 EFGA O=C(NCC(F)(F)F)NNC(=O)c1ccc(-c2ccc(F)cc2)o1 124666167 MGBJRJGJQFPPSR-UHFFFAOYSA-N 345.252 2.592 50 50 EFGA Cn1ccc(-c2noc([C@]3(c4ccccc4)C[C@H]3Br)n2)n1 1875279171 ZBPSUIKPXYTKAJ-DOMZBBRYSA-N 345.200 2.923 50 50 EFGA COc1ccc(/C=N\NC(=O)CNc2ccccc2C)c(OC)c1 16671049 FZXXNMWMWMFHAO-JAIQZWGSSA-N 327.384 2.574 50 50 EFGA CC[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 317730843 FVTKGSGBTUJEFT-NWDGAFQWSA-N 349.449 2.592 50 50 EFGA COc1cc(/C=N\NC(=O)Cc2cccc3c2CCCC3)ccc1O 43761202 QVHOGQYSOAUFRQ-BKUYFWCQSA-N 338.407 2.972 50 50 EFGA COc1ccc(C)cc1NC(=O)NNC(=S)NC1CCCCC1 17070763 QCTALKOSQYDPLF-UHFFFAOYSA-N 336.461 2.837 50 50 EFGA Cc1cccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1C 565473 LNSVYJNCIHQQEJ-UDWIEESQSA-N 325.412 2.899 50 50 EFGA CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4948953 XJNKUXYLJYFSCC-YBFXNURJSA-N 340.339 2.707 50 50 EFGA COC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)c1ccc(Cl)cc1Cl 1393257 BBJDKANFEGVUPF-KWQFWETISA-N 336.602 2.988 50 50 EFGA O=C(N/N=C/c1ccccc1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 8683436 SEXIGMJOUWEOQF-VXLYETTFSA-N 334.335 2.569 50 50 EFGA O=C(N/N=C/c1ccco1)C(=O)Nc1cc(Cl)ccc1Cl 2565209 MTOLANSJRCKTAF-FRKPEAEDSA-N 326.139 2.675 50 50 EFGA COc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1 298819 HSFGWSLCLKWCPX-UHFFFAOYSA-N 349.184 2.533 50 50 EFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@@H]2C1 4634846 KTAHSMRHFRKCBY-IAGOWNOFSA-N 349.463 2.882 50 50 EFGA O=C(N/N=C/c1cccs1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 448596 DPHRWPSMQBGDJW-KECVIQKOSA-N 347.827 2.905 50 50 EFGA C/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccccn1 5010244 CHKQDHWITYZYQX-RQZCQDPDSA-N 334.173 2.704 50 50 EFGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccco1 1453462 PDVPTRFSCXKPCR-VCBXAZPMSA-N 337.173 2.960 50 50 EFGA COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1O 4815506 AAAQVQXBBUMBQN-RQZCQDPDSA-N 349.184 2.927 50 50 EFGA O=C(N/N=C\c1ccc(Br)cc1)c1n[nH]c2c1CCCC2 33293264 SLFDXBVSQBPXOA-MFOYZWKCSA-N 347.216 2.815 50 50 EFGA CCCC(=NNC(=O)c1nc2nc(C)cc(C)n2n1)c1ccccc1 245327313 OEEUEONJPWXQAC-UHFFFAOYSA-N 336.399 2.675 50 50 EFGA C[C@H](Cl)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 1875364967 ZUKAUIZMNABXGR-VIFPVBQESA-N 335.757 2.813 50 50 EFGA CCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1O 584730 INSYGMJPQUHTTC-YBFXNURJSA-N 328.368 2.628 50 50 EFGA CCOc1cc(/C=N/NC(N)=O)ccc1OCc1ccccc1C#N 459569 BDSUOOHZQDPPDZ-SRZZPIQSSA-N 338.367 2.538 50 50 EFGA C/C(=N\NC(=O)c1n[nH]c2c1CCC2)c1ccc(Br)cc1 5296533 SCEDALDBQACKAF-RQZCQDPDSA-N 347.216 2.815 50 50 EFGA O=C(N[C@H](C(Cl)Cl)N1CCOCC1)c1ccc(Cl)cc1 4831559 NJKVJXRSMWZPEN-LBPRGKRZSA-N 337.634 2.532 50 50 EFGA CCCNNC(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1 725325629 MHZUZIALEUTHIU-JLHYYAGUSA-N 337.423 2.661 50 50 EFGA COc1ccc(C(=O)N[C@@H](O)C(Cl)(Cl)[C@@H](C)Cl)cc1 374219 OXPMRRJSHGGVKA-HQJQHLMTSA-N 326.607 2.545 50 50 EFGA CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1NC(=O)CCl 1875369905 PONISFCDKBGDCI-DGCLKSJQSA-N 330.856 2.815 50 50 EFGA Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 4372894 XASHRNJGIMGYGK-FHXOWUIVSA-N 327.340 2.821 50 50 EFGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C1CCCC2=O 74970 IEZYRBSIUKLLAL-INIZCTEOSA-N 342.830 2.917 50 50 EFGA CCOc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1 510863 FOKVYMMNDULHQL-XDHOZWIPSA-N 328.368 2.623 50 50 EFGA CCOc1ccc(CC(=O)N/N=C/c2cccnc2)cc1OCC 15934464 QIFDPOGJWHAAIY-DEDYPNTBSA-N 327.384 2.572 50 50 EFGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 3081873 MWASAKWCIHTEKF-KEBDBYFISA-N 329.787 2.529 50 50 EFGA CC(C)(C)OC(=O)N1C(=O)OC(=O)[C@@H]1Cc1c[nH]c2ccccc12 60272286 WSFZLNNHQNYZNF-ZDUSSCGKSA-N 330.340 2.993 50 50 EFGA COc1ccc(/C=N\NC(=O)CNc2ccc(C)cc2)c(OC)c1 16667737 PUFBHGZBWGVLNK-JAIQZWGSSA-N 327.384 2.574 50 50 EFGA CCOC(=O)N/N=C/c1cc(OCC)c(O)cc1Br 6944132 MHOKUXTVTUJCFB-VGOFMYFVSA-N 331.166 2.633 50 50 EFGA Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])s1 370978 NHZNCBVXOIJGAD-UJFYRASASA-N 333.369 2.882 50 50 EFGA C[C@@H](NC(=O)/C(C#N)=C/c1cnn(CCCl)c1)c1ccccc1 206205997 WNLFZHHUPJIPBQ-BPKVKKHESA-N 328.803 2.906 50 50 EFGA CC[C@@H](Nc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 252341 JRPJOMSCJARLSG-YAJBTMAUSA-N 326.356 2.936 50 50 EFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1OCC 96533 YKTOYPGUSDUNON-MRXNPFEDSA-N 328.368 2.730 50 50 EFGA CCCc1ccc(OCC(=O)NNC(=O)c2ccccc2C)cc1 136998 VGIYJCDFNOMNGG-UHFFFAOYSA-N 326.396 2.788 50 50 EFGA COc1cc(Cl)ccc1NC(=O)NNC(=O)c1ccccc1O 2143563 IXGJPONIHKTZFB-UHFFFAOYSA-N 335.747 2.521 50 50 EFGA COc1cccc2c1OCC/C2=N\NC(=O)COc1ccc(C)cc1 376709 OWLWYEQYQPEBIX-CAPFRKAQSA-N 340.379 2.685 50 50 EFGA CCOC(=O)c1sc(NC(=O)[C@@H]2CCOC2)c(SC#N)c1C 888099820 SLTMUSVWBOTZBR-SECBINFHSA-N 340.426 2.781 50 50 EFGA CN(C)c1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 566456 USHJCVYMQBWSAU-YBFXNURJSA-N 331.803 2.935 50 50 EFGA O=C(CN1CCCCCC1)N/N=C/c1cccc(Br)c1 4990743 XNVZNBHQDBLKHC-GZTJUZNOSA-N 338.249 2.775 50 50 EFGA CCc1ccccc1NC(=O)NNS(=O)(=O)c1cc(C)ccc1C 15934219 SKHWYTVLGURQJV-UHFFFAOYSA-N 347.440 2.881 50 50 EFGA CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccccc2)cc1 299226 SFVIKGWTSKMUFY-UHFFFAOYSA-N 326.396 2.824 50 50 EFGA CC(C)Oc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc1 32573494 XFPREOXXGPZRMZ-GRSHGNNSSA-N 326.352 2.966 50 50 EFGA CC1(C)OB(c2cccc(NC(=O)NCCCCl)c2)OC1(C)C 383829029 ZEPFCCKWHXZCAV-UHFFFAOYSA-N 338.644 2.736 50 50 EFGA COc1cc(Cl)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC 470445 OHUKXYKIUXCQQX-AWEZNQCLSA-N 346.774 2.607 50 50 EFGA O=C(NNC(=O)C1CCCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 13619686 DBARKTWKEUPYOU-KRWDZBQOSA-N 346.427 2.586 50 50 EFGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 58565 QVLADAOSQGWFHR-CYBMUJFWSA-N 336.750 2.689 50 50 EFGA C[C@@H]1CNc2c(C(=O)NNc3ccccc3C(F)(F)F)cnn2C1 1119305854 SEQFYRLHLNPYFY-SECBINFHSA-N 339.321 2.720 50 50 EFGA COc1ccc(O)c(/C=N/NC(=O)c2ccccc2Br)c1 262929 LJLGVKILJYBXBN-RQZCQDPDSA-N 349.184 2.927 50 50 EFGA O=C(CSCc1ccccc1)NNC(=S)Nc1ccccc1 5799915 OSDYDFVBXBOHNR-UHFFFAOYSA-N 331.466 2.938 50 50 EFGA O=C(NNc1ncnc2ccccc12)c1cc(-c2ccccc2F)[nH]n1 1775970956 LGXJYAAYXGSTHM-UHFFFAOYSA-N 348.341 2.916 50 50 EFGA COc1ccc(/C=N/NC(=O)CNc2cccc(Cl)c2)cc1O 5670800 NTMMWUAJVHSDML-DJKKODMXSA-N 333.775 2.616 50 50 EFGA N#CC(=CNc1ccc(-n2cnc(Cl)c2Cl)cc1)c1nn[nH]n1 2041576652 WSPULSNAKNKSHR-UHFFFAOYSA-N 347.169 2.669 50 50 EFGA COC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1OC 9088797 UXAFJMZOQXYMJY-STQMWFEESA-N 332.381 2.636 50 50 EFGA O=C(COc1cccc2ccccc12)NNC(=O)c1cccs1 441118 LHJSMTYZGBUFPY-UHFFFAOYSA-N 326.377 2.741 50 50 EFGA CC(C)n1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cn1 67622841 MWDULXIOMTXWHU-LBPRGKRZSA-N 326.404 2.703 50 50 EFGA COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1O 3154300 IUBWPGXPSTUAFH-RQZCQDPDSA-N 349.184 2.927 50 50 EFGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1nnc(O)c2ccccc12 1875254065 INPXSUSWMXBGGW-ATPJRVJPSA-N 336.395 2.877 50 50 EFGA C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(O)cc1 5034880 YXOVVHIHXXWXFX-RGVLZGJSSA-N 340.408 2.901 50 50 EFGA Cc1ccc2c(c1)/C(=N/NC(=O)c1cc3ccccc3nc1C)C(=O)N2 5730644 HGVRKOROKWPMTI-UHFFFAOYSA-N 344.374 2.938 50 50 EFGA COc1cccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)c1 1394342 AGRHVRASCLJRLL-UHFFFAOYSA-N 335.363 2.561 50 50 EFGA COc1ccccc1/C=N/NC(=O)c1n[nH]c2c1CCc1ccccc1-2 71762 JLWSMMQMSSLJII-CIAFOILYSA-N 346.390 2.948 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C)s3)[C@@H]2C1 16034420 FAUJHGKEZXHTEO-WBVHZDCISA-N 349.463 2.802 50 50 EFGA O=[N+]([O-])c1c(-n2cncn2)nn(-c2ccccc2)c1C(Cl)Cl 617946 MCRWKSFWMIVOKA-UHFFFAOYSA-N 339.142 2.837 50 50 EFGA C[C@@H](Cl)C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 1875375609 FVYCCTWPBFLGOR-CQSZACIVSA-N 344.842 2.978 50 50 EFGA O=C(NNc1cc(F)c(F)c(F)c1)c1nn[nH]c1-c1ccccc1 194217937 UFGBBBDZNPXNCZ-UHFFFAOYSA-N 333.273 2.646 50 50 EFGA CC(C)N1C(=O)C[C@H](NC(=O)CCl)[C@H]1c1ccc(Cl)c(F)c1 1875377670 KOSVOCHXGYXEMD-SWLSCSKDSA-N 347.217 2.885 50 50 EFGA O=S(=O)(NC[C@H](c1ccccc1)N1CCCC1)C1(CCl)CC1 1776006554 QYZYJKNBCOSKFA-OAHLLOKOSA-N 342.892 2.514 50 50 EFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@@H]2C1 5817842 JXBPZGRQWCDKGJ-NVXWUHKLSA-N 349.825 2.695 50 50 EFGA C=CCNC(=S)NNC(=O)c1ccccc1OCc1ccccc1 2064521 LWVREYMOGLVARH-UHFFFAOYSA-N 341.436 2.561 50 50 EFGA CCN(CC)c1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)cc1 229368 KODBPDSXTNSZQP-DEDYPNTBSA-N 341.459 2.956 50 50 EFGA Cc1cccc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)c1 4261320 DTAQTFINOGVIDY-CIAFOILYSA-N 347.374 2.943 50 50 EFGA C/C(=N/NC(=O)CNc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 16667925 HICLKSXHKUTQMF-UYRXBGFRSA-N 326.356 2.856 50 50 EFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)[nH]n2)cc1 5317581 POGPPLUGSOOQAA-RGVLZGJSSA-N 348.362 2.847 50 50 EFGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@H]2C1 3903301 WMDPBNBNNOIBDP-IRXDYDNUSA-N 349.463 2.883 50 50 EFGA O=C(CCNC(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 6864205 ZVWBGQBOHVVMEB-UHFFFAOYSA-N 344.323 2.817 50 50 EFGA Cc1cc(C)cc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1 6571459 HDYJDTILMSIQRM-UHFFFAOYSA-N 343.408 2.664 50 50 EFGA C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)[C@H](C)Cl 1875363680 ROAIPSQPFYSWSH-STQMWFEESA-N 337.851 2.747 50 50 EFGA COc1ccc(CC(=O)NNc2nc3ccccc3s2)cc1OC 483442 WBSKCFHGDFXMFJ-UHFFFAOYSA-N 343.408 2.999 50 50 EFGA Cc1cccc(/N=C2\NC[C@@H](CI)S2)n1 333713 YLEYSEPHAJLDET-MRVPVSSYSA-N 333.198 2.518 50 50 EFGA CCCCNC(=O)NNC(=O)CSCc1c(F)cccc1Cl 17072318 GUSVNZLUNXGWNP-UHFFFAOYSA-N 347.843 2.843 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@@H]3C=CCCC3)[C@@H]2C1 169620139 BITFYVBSUMUQPK-ZTFGCOKTSA-N 333.439 2.621 50 50 EFGA C[C@@H](Cl)C(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2)C1 1875374188 DYSQGTTXFNZLDT-NEPJUHHUSA-N 341.814 2.813 50 50 EFGA Cc1ccccc1-n1cnc(Cl)c1/C=N/NC(=O)c1ccncc1 1857799626 OVPBWGTWXYTIKO-UFFVCSGVSA-N 339.786 2.993 50 50 EFGA Cn1c(SCC(=O)N/N=C/c2cccc(F)c2)nc2ccccc21 56137 LVGWREMONMUYLL-VXLYETTFSA-N 342.399 2.955 50 50 EFGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(F)c1 60177 XKBUWRODOQCXNY-GIJQJNRQSA-N 328.372 2.944 50 50 EFGA COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)c1 4283094 NHLNGODZSOQPGG-VXLYETTFSA-N 345.786 2.746 50 50 EFGA COc1cc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc(OC)c1 43761355 FKODXXJSMGUTNT-SRZZPIQSSA-N 337.379 2.878 50 50 EFGA COc1ccccc1/C=N/NC(=O)c1cc(-c2cccs2)n[nH]1 2445896 OVWDOILZEFYJFU-LICLKQGHSA-N 326.381 2.911 50 50 EFGA COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 4366579 JJWCMJXAGORGMN-HWQJWEFDSA-N 343.339 2.521 50 50 EFGA CC(C)n1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cn1 67622843 MWDULXIOMTXWHU-GFCCVEGCSA-N 326.404 2.703 50 50 EFGA C[C@@]12CC[C@@H]3C[C@]1(C(=O)NNc1ccc([N+](=O)[O-])cc1)OC[C@]32C 245246379 JXPWGQRXSSSLGE-KLWIRTJPSA-N 331.372 2.633 50 50 EFGA COc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1OC 281016 YJCZZJCTOVOUEU-OAHLLOKOSA-N 326.352 2.519 50 50 EFGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)cc1 2893192 KFTDWXUZYSFYLG-UDWIEESQSA-N 339.395 2.791 50 50 EFGA CC(C)NC(=O)NNC(=O)c1cccc(OCc2ccc(F)cc2)c1 4109992 LBXPNPKEIIDTQH-UHFFFAOYSA-N 345.374 2.757 50 50 EFGA CN1CC=C2[C@@H](C1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 19828075 PJKGAOPDWIODDM-PBHICJAKSA-N 349.825 2.695 50 50 EFGA COc1ccccc1C(=O)NNC(=O)c1sccc1-n1cccc1 1394302 GUGDQMJTVLAWSF-UHFFFAOYSA-N 341.392 2.622 50 50 EFGA N#Cc1cc(O)cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)c1 799752966 XWUFVESKEZIFFM-UHFFFAOYSA-N 346.268 2.911 50 50 EFGA Cc1ccc(NCC(=O)N/N=C\c2ccc(Br)o2)cc1 4467709 PYBPWXIKMOTXAT-IUXPMGMMSA-N 336.189 2.913 50 50 EFGA COC(=O)c1ccc(OCC(=O)NN=Cc2ccccc2Cl)cc1 252679854 SDRWETJFTYIGTK-UHFFFAOYSA-N 346.770 2.656 50 50 EFGA N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1cccc(F)c1 91219 MPOYZPAHBAUJHP-CQSZACIVSA-N 333.326 2.829 50 50 EFGA CC[C@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 17071376 ZIWONULEQDTQIJ-AWEZNQCLSA-N 341.367 2.762 50 50 EFGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 6785916 IDVJHDADVUIMHJ-UDWIEESQSA-N 348.362 2.627 50 50 EFGA Cc1ccccc1NC(=O)NN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4796059 NYNIGTDIZYEXCZ-UHFFFAOYSA-N 345.315 2.984 50 50 EFGA C[C@H](Cl)C(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 1875363640 OUIVXZJIMBNBKK-UWVGGRQHSA-N 339.741 2.531 50 50 EFGA COc1cc(Cl)ccc1NC(=O)NNC(=O)c1ccc(O)cc1 3086037 JBZKULCVYSPJPL-UHFFFAOYSA-N 335.747 2.521 50 50 EFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@H]2C1 13512641 OMEVRFWLDALZEV-DLBZAZTESA-N 349.825 2.695 50 50 EFGA COC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1OC 9088798 UXAFJMZOQXYMJY-OLZOCXBDSA-N 332.381 2.636 50 50 EFGA O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccccc1 4283156 DGAHMBPMWNUEAK-LICLKQGHSA-N 346.184 2.538 50 50 EFGA COc1ccccc1CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 299889 XEQGPZWORURMNN-UHFFFAOYSA-N 340.423 2.996 50 50 EFGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1O 5297147 FHVVCGLMJRMYSB-YBFXNURJSA-N 336.351 2.555 50 50 EFGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1cnccn1 12560989 VZQQEUNBFBIFGK-VQLDENSZSA-N 331.173 2.628 50 50 EFGA C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C)cc1 4355360 QADCTENDEHEAFU-DEDYPNTBSA-N 337.379 2.649 50 50 EFGA COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1COC(C)=O 371011 TXOJKNHGDGYPOO-KEBDBYFISA-N 344.342 2.661 50 50 EFGA COc1ccc(-n2c(C)cc(CNC(=O)CCl)c2C)cc1OC 1875374524 UZAPRIHOEKNIJE-UHFFFAOYSA-N 336.819 2.966 50 50 EFGA C[C@H](Cl)C(=O)Nc1ccc(=O)n(Cc2ccc(F)cc2F)c1 1875380178 HOXIVRXEABPONL-VIFPVBQESA-N 326.730 2.741 50 50 EFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(OC)c1 2491180 WLIXURAPRYNKFS-MRXNPFEDSA-N 326.352 2.506 50 50 EFGA C[C@@H](Br)c1nc(N)nc(N2CCCc3ccccc32)n1 1431539 LTTHZXWPAXRGQE-SECBINFHSA-N 334.221 2.994 50 50 EFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)o1 6382661 OMKOTRAVIRAKMR-RQZCQDPDSA-N 339.311 2.650 50 50 EFGA Cc1ccc(C(=O)NNC(=O)[C@@H]2Cc3c(ccc4ccccc34)O2)cc1 1394580 YPUXAJCUYCVLAJ-IBGZPJMESA-N 346.386 2.913 50 50 EFGA C[C@H](Cl)C(=O)N1CC[C@](c2nc(C3CC3)no2)(C(F)(F)F)C1 1875376008 LPLZBMWJAOEOAS-MADCSZMMSA-N 337.729 2.607 50 50 EFGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc2ccccc2c1 100250673 LLCHTTWOCWRAQW-QGZVFWFLSA-N 346.342 2.503 50 50 EFGA biogenic,in-vitro Cc1ccsc1CN(C(=O)CCl)[C@H]1CCN(C(C)C)C1=O 1875382265 WMNQRPQMDMJRBP-LBPRGKRZSA-N 328.865 2.633 50 50 EFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)s1 232875 UOWLNHYDAXHIQH-RQZCQDPDSA-N 326.381 2.916 50 50 EFGA O=C(Cc1cccs1)NNC(=S)Nc1ccc(F)cc1F 609919 MDGRDRCAHKMKPE-UHFFFAOYSA-N 327.381 2.587 50 50 EFGA COc1ccc(C)cc1NC(=O)NNC(=O)[C@@]1(C)CC1(Cl)Cl 2853712 WTABUUPSWCPMCZ-CYBMUJFWSA-N 346.214 2.740 50 50 EFGA O=C(NNc1nc2ccccc2c(=O)[nH]1)c1cc2ccccc2s1 137197095 MKWFZXVKVGGEJP-UHFFFAOYSA-N 336.376 2.895 50 50 EFGA Cc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])c1 371044 BVEQXTMFGCNZMZ-FHXOWUIVSA-N 327.340 2.821 50 50 EFGA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C#N 253500244 ZYVHLUFQSVBNFH-HHBCTJDESA-N 329.440 2.744 50 50 EFGA biogenic Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccccc1Br 73132 CXULACQOVZJJFC-RQZCQDPDSA-N 349.232 2.872 50 50 EFGA CC[C@@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 17071375 ZIWONULEQDTQIJ-CQSZACIVSA-N 341.367 2.762 50 50 EFGA NC(=O)N/N=C(\c1ccccc1)C(F)(F)C(F)(F)OC(F)(F)F 4480846 PPHGTCYBWSLWEC-IFRROFPPSA-N 347.190 2.824 50 50 EFGA O=C1C[C@@]2(C[C@@H](Cl)N=N2)C(=O)N1c1ccc(Br)cc1 4698186 LPSVVRZVYWYOIT-CABZTGNLSA-N 342.580 2.872 50 50 EFGA N#C/C(=C\c1cc(Br)ccc1Br)C(N)=O 1340581291 WIDFTBAIEYOPDE-XVNBXDOJSA-N 329.979 2.604 50 50 EFGA COc1ccc(Cl)cc1/C=N/NC(=O)[C@H]1COc2ccccc2O1 59073 BRWSXLDWYQUPPH-LEKRSAHOSA-N 346.770 2.639 50 50 EFGA C=CCOc1cccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)c1 2055531 UCMNYQGAYAOBHY-XSFVSMFZSA-N 343.427 2.541 50 50 EFGA CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 5095391 ITGFPSSSUBFKPN-ZDUSSCGKSA-N 338.367 2.654 50 50 EFGA CC(C)(C)OC(=O)/C(C#N)=C1/C=CC(B2OC(C)(C)C(C)(C)O2)=CN1 170006720 LWMLRHYQGHSAHN-YPKPFQOOSA-N 344.220 2.780 50 50 EFGA COc1cccc([C@@H](Br)[C@H](Br)C(=O)O)c1 1602063 WBRLBWOFKFWFIM-BDAKNGLRSA-N 337.995 2.979 50 50 EFGA N#CC1=C(N)[C@](C#N)(c2ccc([N+](=O)[O-])cc2)[C@H](C#N)[C@@H]2CCCC=C12 19827349 FZNFUVUESUJZPJ-SZVBFZGTSA-N 345.362 2.972 50 50 EFGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 261402 QRXXWMFRBZCAST-RQZCQDPDSA-N 333.731 2.777 50 50 EFGA CC1=N[C@@H](C(=O)I)Cc2c1[nH]c1ccccc21 953064954 RTJVREUWKHJTHJ-LLVKDONJSA-N 338.148 2.863 50 50 EFGA Cc1nn(C)c(C(=O)N/N=C/c2c(F)cccc2Cl)c1Cl 371101 ZNZZGJHVXPXWGW-UBKPWBPPSA-N 329.162 2.938 50 50 EFGA CC[n+]1ccc([C@@H](O)P(=O)(c2ccccc2)c2ccccc2)cc1 287865 FVVQHSWKURCMJW-FQEVSTJZSA-N 338.367 2.999 50 50 EFGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)c(O)c1 260501 VQZMBSRYJVZAMG-XDHOZWIPSA-N 327.384 2.708 50 50 EFGA N#C/C(=C\c1c(Cl)cccc1Cl)c1nn(CCO)c(N)c1C#N 4380173 ATTAXDNVYFEWHB-RMKNXTFCSA-N 348.193 2.700 50 50 EFGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cccc(Cl)c1 4296093 IFCUTAMNCVKTOH-KEBDBYFISA-N 329.787 2.529 50 50 EFGA COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(OC)c1OC 262933 QUGCFRTWLWBARF-VXLYETTFSA-N 332.331 2.615 50 50 EFGA O=C(N/N=C/c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 2892339 XDLUYIYGSDXMIT-QGMBQPNBSA-N 341.314 2.856 50 50 EFGA Cc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1 117830 PQFYZDDWOCBJBU-UZPSYVQNSA-N 326.352 2.641 50 50 EFGA C[C@@H](Cl)C(=O)Nc1cc(F)c(OC(F)F)cc1-n1cncn1 1875377607 IGSQWSLETIQCIG-ZCFIWIBFSA-N 334.685 2.574 50 50 EFGA Cc1cc(O)cc(O)c1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 435195 FMKUBSFGSJTHOP-VXLYETTFSA-N 336.351 2.560 50 50 EFGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccsc2)C2=C1CC(C)(C)CC2=O 72401 WKEKXOFWVFGEEK-OAHLLOKOSA-N 342.468 2.961 50 50 EFGA CN1CCN(c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)o2)CC1 4453666 UNLBDXAOSVWACL-OWBHPGMISA-N 333.395 2.972 50 50 EFGA Cc1ccc2c(c1)[C@H](NC(=O)c1c(C)nn(CCCl)c1C)CO2 156368785 LCHJXXGOPQBDLM-CQSZACIVSA-N 333.819 2.911 50 50 EFGA COc1cccc(C=NNC(=O)COc2c(C)cccc2C)c1OC 252320594 CIVBAHWNSLFALT-UHFFFAOYSA-N 342.395 2.850 50 50 EFGA O=C(Cn1nnc2ccccc21)N/N=C/c1ccccc1C(F)(F)F 381559 OJSXPNWOHUEMAZ-AWQFTUOYSA-N 347.300 2.600 50 50 EFGA O=C(N/N=C/c1ccc(OC(F)F)cc1)[C@H]1COc2ccccc2O1 5739315 USPSDMHMUIDITG-UPWAIKHBSA-N 348.305 2.578 50 50 EFGA O=C(NNC(=O)c1ccc(Br)s1)NC1CCCCC1 1002144 BWKYYHXPTARWBR-UHFFFAOYSA-N 346.250 2.787 50 50 EFGA O=C1C[C@]2(C[C@@H](Cl)N=N2)C(=O)N1c1ccc(Br)cc1 4698185 LPSVVRZVYWYOIT-JOYOIKCWSA-N 342.580 2.872 50 50 EFGA CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@H](C)Cl)cn1 1875375604 FUDMIQHFFZUUFA-BBRMVZONSA-N 335.835 2.593 50 50 EFGA COc1cccc(/C=N/NC(=O)[C@@H](C)Cn2cnc3ccccc32)c1 536119 UIHPZBZMBQRCPB-FVUPAENESA-N 336.395 2.831 50 50 EFGA CCOC(=O)C(CBr)(C[Si](C)(C)C)C(=O)OCC 169828684 JXCRUKXHRNQEDG-UHFFFAOYSA-N 339.302 2.832 50 50 EFGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(CC)cc1 2553419 UHGUTCUTEQKTCE-DEDYPNTBSA-N 339.395 2.737 50 50 EFGA O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc2cccnc12 252489683 JWOFRIVYFQOGDI-UDWIEESQSA-N 334.335 2.836 50 50 EFGA Cc1csc(NC(=O)CCC(=O)OC(CCl)CCl)n1 2027900 OTENJZYCUOPUSM-UHFFFAOYSA-N 325.217 2.560 50 50 EFGA CCc1ccccc1NC(=O)NNC(=O)c1cc(OC)cc(OC)c1 17071658 KAQCDRBLEZAHNN-UHFFFAOYSA-N 343.383 2.733 50 50 EFGA O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)Nc1cccc([N+](=O)[O-])c1 17071195 SUZANBUJOIFNPF-HUUCEWRRSA-N 340.339 2.551 50 50 EFGA COc1c(C)cnc(Cn2nnc(CBr)c2C)c1C 725263927 VKHNUEUUOLHUEV-UHFFFAOYSA-N 325.210 2.550 50 50 EFGA O=C(Cc1ccccc1)N/N=C/c1cc(Br)ccc1O 259310 DYXCLEWUWFSPNX-LICLKQGHSA-N 333.185 2.848 50 50 EFGA CCn1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cn1 355626 AGIILAPNBLWXTR-UBKPWBPPSA-N 341.198 2.739 50 50 EFGA CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)[C@@H](C)Cl)cc1 1875364270 MWPBPRXZQQIZQH-OLZOCXBDSA-N 340.851 2.786 50 50 EFGA Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c1 289079 GMWDYOLUWOUASC-LZYBPNLTSA-N 333.369 2.802 50 50 EFGA CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 288996 JLRSANOVAAJOLA-QIPRVMPFSA-N 327.428 2.735 50 50 EFGA COc1ccccc1OCC(=O)N/N=C1\C(O)=Nc2ccc(C)cc21 6684539 WYAWRYQBWRNTSZ-UHFFFAOYSA-N 339.351 2.505 50 50 EFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 44616 OMEVRFWLDALZEV-SJORKVTESA-N 349.825 2.695 50 50 EFGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1 4261229 VHQIQYWDWFEMJE-DEDYPNTBSA-N 337.379 2.649 50 50 EFGA CCCCNC(=S)NNC(=O)c1csc2c1CC[C@H](C)C2 13470862 GEZVNLZOJRJPEQ-JTQLQIEISA-N 325.503 2.782 50 50 EFGA NNC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2 825644636 AOBMTBKGCIAEJX-UHFFFAOYSA-N 344.724 2.637 50 50 EFGA O=C(Nc1ccc2ncn(-c3cccc(O)c3)c(=O)c2c1)[C@H](F)Cl 2325898216 XFPVPTMFHHPFRN-AWEZNQCLSA-N 347.733 2.564 50 50 EFGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccncc1 102295143 QRIJZBNGAZHDIZ-KGENOOAVSA-N 332.448 2.789 50 50 EFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@H]2C1 5095062 YIHOMAXYJIKXIL-IRXDYDNUSA-N 349.825 2.695 50 50 EFGA COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(N)cc2)[nH]n1 5402834 XGUXUHZOAJIKTK-CIAFOILYSA-N 349.394 2.822 50 50 EFGA COc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1OC 281015 YJCZZJCTOVOUEU-HNNXBMFYSA-N 326.352 2.519 50 50 EFGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2C)cc1 2893186 QGNOUEGUJDWCKV-UDWIEESQSA-N 339.395 2.791 50 50 EFGA Cc1n[nH]c2c1[C@H](c1cc(Cl)cc(Cl)c1O)C(C#N)=C(N)O2 8903152 XTXJJTRHBGRMLF-LLVKDONJSA-N 337.166 2.949 50 50 EFGA CCn1ncc(/C=N/NC(=O)c2cccc(Br)c2)c1C 355884 WIHIXDQGKQHIKZ-LZYBPNLTSA-N 335.205 2.738 50 50 EFGA COc1ccc(OC)c(NC(=O)NNC(=O)c2ccc(Cl)cc2)c1 1754282 HGAMNGQSXBDYDL-UHFFFAOYSA-N 349.774 2.824 50 50 EFGA C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N 253499554 JHNKMSMCNITKIH-CARQVRACSA-N 327.424 2.952 50 50 EFGA biogenic C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 245226659 HHSZRCQDGVWDNM-FSEVPXTBSA-N 345.355 2.600 50 50 EFGA N#CCCn1cc(/C=N/NC(=O)c2ccncc2)c(-c2ccccc2)n1 5050619 OYKHSALLRNLHFB-LPYMAVHISA-N 344.378 2.623 50 50 EFGA NNC(=O)c1cc(-c2ccco2)nc2ccc(Br)cc12 272542 JFIDKTVJOXMBQF-UHFFFAOYSA-N 332.157 2.861 50 50 EFGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccccc2Cl)n[nH]1 9011856 KIEJZCAHUYANBP-VXLYETTFSA-N 325.759 2.889 50 50 EFGA COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1[N+](=O)[O-] 226346274 OUKPYGIDMBTLKE-WYDVFFIZSA-N 331.372 2.880 50 50 EFGA O=C(N/N=C/c1ccc(Br)cc1)c1cn2c(n1)CCCC2 43761234 FVMUMBOMGURPBK-RQZCQDPDSA-N 347.216 2.746 50 50 EFGA COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC 239339 CUUGFJQFXVGJPV-VXLYETTFSA-N 348.786 2.886 50 50 EFGA C[C@H](Cl)C(=O)N1CCC[C@H](CNC(=O)Nc2ccc(F)cc2)C1 1875374189 DYSQGTTXFNZLDT-NWDGAFQWSA-N 341.814 2.813 50 50 EFGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1 54081 AYEPWMBNXVVPGF-RGVLZGJSSA-N 338.342 2.988 50 50 EFGA C[C@H](NC(=O)/C(C#N)=C/c1cnn(CCCl)c1)c1ccccc1 206205971 WNLFZHHUPJIPBQ-WFSQQTBHSA-N 328.803 2.906 50 50 EFGA COc1ccc(CC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 299164 ZCSLVKCEDLGNKV-UHFFFAOYSA-N 340.423 2.996 50 50 EFGA Cc1cccc(/C=N/NC(=O)c2cncc(Br)c2)c1O 257498 ZGVGCSJTGIWAMZ-REZTVBANSA-N 334.173 2.622 50 50 EFGA COc1ccc(O)c(/C=N/NC(=O)COc2ccccc2Cl)c1 2566896 OWQPIHMODBHGSA-GIJQJNRQSA-N 334.759 2.583 50 50 EFGA Cc1ccc2c(c1)/C(=N/NC(=O)c1ccccc1Cl)C(=O)N2C 58420 XSDZVGUDMYLYDD-CYVLTUHYSA-N 327.771 2.759 50 50 EFGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccc(Br)c1 520883 SMWDVUYGCMNXNY-RQZCQDPDSA-N 349.232 2.872 50 50 EFGA O=S(=O)(Cc1ccccc1)C(Br)Br 1702038 JFXRNMIMRDDPLD-UHFFFAOYSA-N 328.025 2.675 50 50 EFGA COCc1ccccc1CN(C(=O)CCl)[C@H](C)[C@@H]1CCCO1 1875382650 KYOPZKSSXAUIJW-CJNGLKHVSA-N 325.836 2.968 50 50 EFGA C[C@@H](Cl)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1875364837 VKGXGEDRSIFCGB-CYBMUJFWSA-N 333.819 2.613 50 50 EFGA O=C(CSc1nc2ccccc2s1)N/N=C/c1cccnc1 186702 LSAZXRSLIXMMQW-RQZCQDPDSA-N 328.422 2.934 50 50 EFGA COCc1n[nH]c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 5044920 OWFZDMNTXFSBGZ-NSHDSACASA-N 334.738 2.567 50 50 EFGA CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccccc1Cl 194015 ULPGJNDYHFETTA-LBPRGKRZSA-N 329.183 2.750 50 50 EFGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc2ccccc2c1O 237604 WIYZCUJTNSCFQR-RQZCQDPDSA-N 325.280 2.811 50 50 EFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@@H]2C1 4637482 YIHOMAXYJIKXIL-SJORKVTESA-N 349.825 2.695 50 50 EFGA Cc1ccc(C(=O)NNC(=O)c2sccc2-n2cccc2)cc1 5745471 FQXJZIZSRJKODN-UHFFFAOYSA-N 325.393 2.922 50 50 EFGA C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc([N+](=O)[O-])cc1 5033947 YYFHFMDRXPUGEA-LICLKQGHSA-N 329.360 2.769 50 50 EFGA N=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc[nH]1 1385314 QSAAOPVFJUIJDZ-UHFFFAOYSA-N 327.171 2.612 50 50 EFGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccccn2)[nH]n1 9108806 MWMSYXWHFMDOTJ-UDWIEESQSA-N 335.367 2.634 50 50 EFGA O=C1[C@H](Cl)O[C@](O)(Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]12Cl 25723973 BZGQLKJNISWUDN-BWBBJGPYSA-N 346.808 2.694 50 50 EFGA COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1Cl 291113 BQJZVWBLEGWKSF-ARFNDINWSA-N 346.770 2.639 50 50 EFGA O=C(N/N=C/c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 2892335 NMQFCTJMMKNODP-KEBDBYFISA-N 335.285 2.794 50 50 EFGA C/C(=N\NC(=O)[C@H](C)Sc1nc(C)cc(C)n1)c1ccccc1O 3663937 XHNWSESAYIPJAO-DZUMZMOTSA-N 344.440 2.820 50 50 EFGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(N)=O)cc1 434824 JMKFQGYSZNAANR-RGVLZGJSSA-N 335.367 2.550 50 50 EFGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)n[nH]1 993699 DARFYFIIRZNOKT-WOJGMQOQSA-N 335.323 2.749 50 50 EFGA O=C(/C=C/c1cnc2ccccc2n1)NNc1cccc([N+](=O)[O-])c1 151602856 QOYHXNUBUBTAGZ-CMDGGOBGSA-N 335.323 2.695 50 50 EFGA C[C@@]12CC3CC(C(=O)NNC(=O)c4ccncc4)(C1)C[C@](C)(C3)C2 13646835 ZTSHSSNDOHFIHR-DFDFAMMDSA-N 327.428 2.839 50 50 EFGA O=C(CCl)NNC(=O)c1cc(-c2cccs2)nc2ccccc12 1875377640 JNYYRWLMCGFTFV-UHFFFAOYSA-N 345.811 2.963 50 50 EFGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 3072809 YERCQGRWJSABCE-VXLYETTFSA-N 345.786 2.746 50 50 EFGA CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccco2)cc1 5653172 QNWPNOQDDRBRPD-LDADJPATSA-N 329.356 2.547 50 50 EFGA COc1ccc(OC)c(/C=N\NC(=O)CNc2ccc(C)cc2)c1 16671304 PTSWLQVBIWPGOF-JAIQZWGSSA-N 327.384 2.574 50 50 EFGA COCc1nc(C)c(C(=O)OC[C@]2(C)C[C@H]2Br)s1 888099469 LIZJNRWRHVBDNK-PELKAZGASA-N 334.235 2.928 50 50 EFGA N#C/C(=C/c1cnc2ccccc2n1)C(=O)Nc1ccc2c(c1)OCO2 17071804 YCAZUIWIWJVJBX-GHXNOFRVSA-N 344.330 2.904 50 50 EFGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 245226660 HHSZRCQDGVWDNM-ZJORRTFASA-N 345.355 2.600 50 50 EFGA O=C(N/N=C/c1ccc(Br)cc1)c1cc(C2CC2)n[nH]1 2195938 QAXBTXVTMSBTGH-LZYBPNLTSA-N 333.189 2.814 50 50 EFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)n[nH]1 4705511 VNQAEVQDUQEGTO-WOJGMQOQSA-N 335.323 2.749 50 50 EFGA O=C(N/N=C/c1ccncc1)c1cc(-c2ccc(Cl)s2)n[nH]1 9339533 OJYZFNXZNKBRET-CAOOACKPSA-N 331.788 2.951 50 50 EFGA CCOC(=O)N[C@@H](C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1 3124968 QXSBAWHQERJTQC-LLVKDONJSA-N 340.228 2.645 50 50 EFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)o1 4019965 ZVGHHIRAFOESHO-LBPRGKRZSA-N 335.157 2.857 50 50 EFGA Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 5072939 OOAGZWDMEGIFHV-NSHDSACASA-N 349.177 2.603 50 50 EFGA Cc1c(NC(=O)/C(C#N)=C/c2ccco2)c(=O)n(-c2ccccc2)n1C 242328 CUFLAOAPSIRWRS-SDNWHVSQSA-N 348.362 2.623 50 50 EFGA C/C(=N\OCC(=O)N/N=C/c1ccc(N(C)C)cc1)c1cccs1 4982189 ADBUSBKQOLMLDC-QJJSIELFSA-N 344.440 2.705 50 50 EFGA CC(C)(C)OC(=O)N/N=C(/NCc1ccccc1)NCC(F)(F)F 43769311 IGIJVCGUWRWCRD-UHFFFAOYSA-N 346.353 2.724 50 50 EFGA COC(=O)c1ncccc1SSc1cccnc1C(=O)OC 221529091 IWYFXTPZSOZZLH-UHFFFAOYSA-N 336.394 2.849 50 50 EFGA O=C(CCn1nnc2ccccc21)N/N=C/c1c(F)cccc1Cl 536084 HSRDQHIZYVNHMW-VXLYETTFSA-N 345.765 2.764 50 50 EFGA Cc1ccccc1NCC(=O)N/N=C\c1ccc(Br)o1 4467705 GYTBUXMYSKBWII-IUXPMGMMSA-N 336.189 2.913 50 50 EFGA CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 17071642 WNNCSADSZDIDGL-WOJGMQOQSA-N 343.339 2.766 50 50 EFGA C[C@H](Cl)C(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 1875370159 DKSXSKPLIVKNOI-JTQLQIEISA-N 340.773 2.550 50 50 EFGA COc1ccc(/C=N/NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)cc1 439954 KPCHIVUDYOTEGY-SGPNVBEDSA-N 344.440 2.733 50 50 EFGA CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 440037 DRQZAIWXPKJLOE-VCHYOVAHSA-N 344.440 2.735 50 50 EFGA COc1ccc(CC(=O)NNC(=O)Nc2cccc(C)c2C)cc1 5041621 YIXVKXSOMFPPPZ-UHFFFAOYSA-N 327.384 2.707 50 50 EFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1coc2ccccc2c1=O 283390 GZQRQWVBINLKBF-QGHHPUGFSA-N 348.358 2.854 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3)[C@H]2C1 809459 PSSVTCUXUCQBCL-ZWKOTPCHSA-N 347.397 2.571 50 50 EFGA CCOc1cccc(/C=N/NC(=O)CNc2ccccc2C)c1O 2942044 CCLFCGCWLGSZPI-RGVLZGJSSA-N 327.384 2.662 50 50 EFGA O=C(O)CCSSCCNC(=O)CCCc1ccccc1 1875388820 RPIAKPAUFMEQHE-UHFFFAOYSA-N 327.471 2.982 50 50 EFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1coc2ccccc2c1=O 283080 GRDDWDORZKEPKQ-MRXNPFEDSA-N 334.331 2.608 50 50 EFGA O=C(OCc1ccccc1)N1CC[C@H](I)C1 79436604 PHSGVWBPCLSEFX-NSHDSACASA-N 331.153 2.833 50 50 EFGA CC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)[C@H](C)Cl 1875377185 AOQJKIDOANKFSL-STQMWFEESA-N 331.865 2.599 50 50 EFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)[nH]n2)cc1 4980617 VLZTUSSGTJAWQH-RGVLZGJSSA-N 338.342 2.988 50 50 EFGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(N)cc3)[nH]n2)cc1 12343189 QAFAWJDPVXMGDE-CIAFOILYSA-N 349.394 2.822 50 50 EFGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@@H]2C1 1515227 WMDPBNBNNOIBDP-SJORKVTESA-N 349.463 2.883 50 50 EFGA CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2)C2=C1CC(C)(C)CC2=O 74951 LDPUYGQQFCGHDS-KRWDZBQOSA-N 336.439 2.899 50 50 EFGA CC1(C)[C@@H]2CC[C@@]1(C(=O)NNc1nccnc1C1CCC1)C(=O)C2 1346984654 XYQSPYOVQBTDDE-XIKOKIGWSA-N 328.416 2.583 50 50 EFGA COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 3072807 ZPLIROGCHVOTRQ-VXLYETTFSA-N 345.786 2.746 50 50 EFGA CC(=O)Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(C)=O 8214492 OAWXYINGQXLWOE-UHFFFAOYSA-N 342.303 2.534 50 50 EFGA in-vitro O=C(COc1ccc2c(c1)CCC2)NNC(=O)Nc1ccc(F)cc1 17071647 KFOHSNMFAWATIT-UHFFFAOYSA-N 343.358 2.546 50 50 EFGA COc1ccccc1OCC(=O)N/N=C/c1cccc2cccnc12 434970 LKDDSTHUSNJDCN-CIAFOILYSA-N 335.363 2.773 50 50 EFGA CCCCC(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 3105662 QXTSCOFXJYEQQT-UHFFFAOYSA-N 348.255 2.819 50 50 EFGA Cc1ccc(S(=O)(=O)NNC(=O)c2c(C)cc(C)cc2C)cc1 284117 QCQFKGAHLDGCMZ-UHFFFAOYSA-N 332.425 2.544 50 50 EFGA O=S(=O)(c1ccccc1)N1[C@@H]2CC=CC=C[C@H](Br)[C@@H]21 104279604 JOAGTKIFZPWHRX-OJEWEXDKSA-N 340.242 2.708 50 50 EFGA C[C@H](Cl)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 1875377373 DFPNDLXKSVLDQL-CFVMTHIKSA-N 326.868 2.786 50 50 EFGA COCc1nc(C)c(C(=O)OC[C@@]2(C)C[C@H]2Br)s1 888099470 LIZJNRWRHVBDNK-PRHODGIISA-N 334.235 2.928 50 50 EFGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 274323 RWVBNPYLCGANAL-XDHOZWIPSA-N 339.351 2.852 50 50 EFGA O=C(CN1CCCCCC1)N/N=C/c1ccccc1Br 283139 WQGOZFJKFADUIL-GZTJUZNOSA-N 338.249 2.775 50 50 EFGA CCCc1ccc(OCC(=O)N/N=C/c2cccc(OC)c2O)cc1 4372865 MIBLILVMGBZKEC-UDWIEESQSA-N 342.395 2.882 50 50 EFGA NNC(=O)[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 23115417 USHSXYIVPWRWHA-INIZCTEOSA-N 325.412 2.681 50 50 EFGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 4209584 SSUYUOSONJPZOJ-KEBDBYFISA-N 329.787 2.529 50 50 EFGA CCOC(=O)CSc1nc2ccccc2n1C(=O)OCCCl 12413413 KLECHZYEYRAXME-UHFFFAOYSA-N 342.804 2.915 50 50 EFGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 2576172 KOPVNIYJILZKIV-CIAFOILYSA-N 347.374 2.943 50 50 EFGA Cn1ccc(-c2noc([C@]3(c4ccccc4)C[C@@H]3Br)n2)n1 1875279174 ZBPSUIKPXYTKAJ-WFASDCNBSA-N 345.200 2.923 50 50 EFGA O=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC1)C[C@H]2Br 1775993841 MOLBUIYFMDGWMI-GFCCVEGCSA-N 339.189 2.984 50 50 EFGA COc1cccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)c1O 4311341 KUSWETLJJJQWHG-RQZCQDPDSA-N 342.380 2.616 50 50 EFGA N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cccc([N+](=O)[O-])c1)OCO3 470405 ZKDONWIIAAEZBH-MRXNPFEDSA-N 337.291 2.542 50 50 EFGA CCCNC(=S)NNC(=O)c1cc(C2CC2)nc2ccccc12 6854716 NNAUVTXNSCUSHF-UHFFFAOYSA-N 328.441 2.631 50 50 EFGA O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Cl)cc2)n[nH]1 1247705 ZMNRTLFLUPZWRF-VXLYETTFSA-N 325.759 2.889 50 50 EFGA O=C1CC2(CCN(C(=O)[C@H](F)Cl)CC2)Oc2ccc(F)cc21 2325898564 LPESZWVIVUJXMT-ZDUSSCGKSA-N 329.730 2.687 50 50 EFGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccncc1 1422116 HBIKCBRAMORLLY-CQSZACIVSA-N 333.372 2.875 50 50 EFGA N#C/C(=C\c1ccc(Cl)cc1Cl)c1n[nH]c(Cn2cncn2)n1 4051584 JDQUWCDWHPQMHZ-XCVCLJGOSA-N 346.181 2.815 50 50 EFGA C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N 253499556 JHNKMSMCNITKIH-MWTXUKJESA-N 327.424 2.952 50 50 EFGA biogenic O=C(COc1ccc2ccccc2c1)N/N=C1/C(=O)Nc2ccccc21 6133632 QXZBPZLQYNVLFP-UHFFFAOYSA-N 345.358 2.691 50 50 EFGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1cccc(C)c1 5548363 UUXHRSFUWYIODJ-RCCKNPSSSA-N 339.395 2.895 50 50 EFGA CC[C@@H](CCl)NC(=O)c1cccc(C(=O)N[C@@H](CC)CCl)n1 336092 LNJRVGTVRPXVJN-QWRGUYRKSA-N 346.258 2.576 50 50 EFGA C[C@H](Cl)C(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 1875363678 ROAIPSQPFYSWSH-OLZOCXBDSA-N 337.851 2.747 50 50 EFGA COc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(C(F)(F)F)c21 5013095 ZWJPWYGTBDCQSJ-JTQLQIEISA-N 336.273 2.655 50 50 EFGA COc1ccccc1/C=N/NC(=O)[C@H](C)Sc1nc(C)cc(C)n1 188490 ZHLTZHQTOUDDPX-SGPNVBEDSA-N 344.440 2.733 50 50 EFGA O=C(CNc1cccc(Cl)c1)N/N=C/c1cccc([N+](=O)[O-])c1 5671385 QKMXJLDLRXJQFD-GIJQJNRQSA-N 332.747 2.810 50 50 EFGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1c[nH]nc1-c1cccs1 6423895 ZVCJRWHREODPFP-LZYBPNLTSA-N 341.352 2.810 50 50 EFGA CCOC(=O)/C(C#N)=C1/N=C(c2ccccc2)C(Br)=CN1 103574540 LOFHOIFBUFIYCG-SDNWHVSQSA-N 346.184 2.613 50 50 EFGA O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 137200135 MBZYBQJTYPIOAB-UHFFFAOYSA-N 334.379 2.559 50 50 EFGA Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1 374763 NLMPPMSRYTZDHO-UHFFFAOYSA-N 343.408 2.664 50 50 EFGA Cc1cc(Cl)ccc1NC(=O)CCC(=O)N/N=C/c1cccnc1 1946999 VBOUCVRUQHBLNO-RGVLZGJSSA-N 344.802 2.912 50 50 EFGA COc1cccc(NC(=S)NNC(=O)CCc2ccccc2)c1 6398642 SMWZOVSBTHIZCC-UHFFFAOYSA-N 329.425 2.646 50 50 EFGA C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C#N 253499989 SWAJIWWXRRYRDI-DTMQFJJTSA-N 329.440 2.744 50 50 EFGA biogenic CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1n[nH]c(=O)c2ccccc12 169926301 PJTQECHWVDNHAG-AAYHTFHISA-N 336.395 2.631 50 50 EFGA CCOc1ccc(/C=N/NC(=O)CCn2cnc3ccccc32)cc1 181287 QVBYTRZAZRGQMA-FYJGNVAPSA-N 336.395 2.975 50 50 EFGA CC(C)(C)[Si](C)(C)Oc1cc(B(O)O)c(F)c(C(F)(F)F)c1 169955299 DNYRCCDNUSVYON-UHFFFAOYSA-N 338.182 2.908 50 50 EFGA CC[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 317730844 FVTKGSGBTUJEFT-RYUDHWBXSA-N 349.449 2.592 50 50 EFGA COc1ccccc1/C=N/NC(=O)c1cncc(Br)c1 257493 LIPVBYUCFORSBE-CAOOACKPSA-N 334.173 2.617 50 50 EFGA C[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(-c3cc(F)ccc3F)cn2C1 1875378054 UXDYJOJIHSJCRO-MWLCHTKSSA-N 339.773 2.887 50 50 EFGA C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)C1 8183780 DKSMJHNBYPZHJS-RYUDHWBXSA-N 344.864 2.531 50 50 EFGA C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1Cl)c1ccccc1 2901013 QKJMBBHINYRVEN-MKFNJMOCSA-N 329.787 2.668 50 50 EFGA Cc1ccc(-c2cc(CN3CC[C@@H](NC(=O)CCl)C3)on2)cc1 1875384481 QKNFDKDZCPNQHK-CQSZACIVSA-N 333.819 2.579 50 50 EFGA CC(C)/N=C1/S[C@H]2CS(=O)(=O)[C@@H](Br)[C@@]2(C)S1 229835856 LGLVMTROHNJGDS-TZMXCWNKSA-N 344.321 2.508 50 50 EFGA O=C(N/N=C/c1ccccc1)C(=O)Nc1ccc(Br)cc1 2571771 ITTPTKRVLPZSBO-LICLKQGHSA-N 346.184 2.538 50 50 EFGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1O 2674399 QNYSPKMJLCCAOL-VSMYLPJWSA-N 348.786 2.972 50 50 EFGA Cc1cc(C)cc(OCC(=O)N/N=C/c2cnc3ccccc3n2)c1 371634 ZCVULDVHOMCEBH-SRZZPIQSSA-N 334.379 2.776 50 50 EFGA Cc1nc(C2CCCC2)sc1C(=O)NNc1c(C#N)c(C)nn1C 1875344479 FHQIWEQPJWPWFH-UHFFFAOYSA-N 344.444 2.780 50 50 EFGA CN(C)c1cccc(C(=O)N/N=C/c2cccc(C(=O)O)c2Cl)c1 1775988394 RRPSKHDAKWKREG-VXLYETTFSA-N 345.786 2.868 50 50 EFGA COc1ccc(Br)cc1C=NNC(=O)c1cccc(O)c1 254557434 XSWPAJAZSKJRLU-UHFFFAOYSA-N 349.184 2.927 50 50 EFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)s1 18148486 HTTYGWLYPAXOOG-RQZCQDPDSA-N 326.381 2.916 50 50 EFGA Cc1n[nH]c2c1[C@H](c1c(C)nn(-c3ccccc3)c1C)C(C#N)=C(N)O2 18172544 UDAHNFVDPRZCCX-KRWDZBQOSA-N 346.394 2.739 50 50 EFGA CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1NC(=O)CCl 1875369906 PONISFCDKBGDCI-WCQYABFASA-N 330.856 2.815 50 50 EFGA Cc1ccc(OCC(=O)NNC(=S)Nc2ccccc2)cc1C 122218 NMYARODBDPIDNR-UHFFFAOYSA-N 329.425 2.700 50 50 EFGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1 292711 BDSSWUVOYPELGR-XDHOZWIPSA-N 327.384 2.708 50 50 EFGA Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 5072941 DWABALPNPFZCMT-NSHDSACASA-N 349.177 2.603 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C)s3)[C@@H]2C1 432518 FAUJHGKEZXHTEO-NVXWUHKLSA-N 349.463 2.802 50 50 EFGA O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(F)c1 4992173 ILWVWOIDWDENPT-REZTVBANSA-N 337.694 2.857 50 50 EFGA O=C(N/N=C/c1ccccn1)c1cc(-c2ccccc2Cl)n[nH]1 232783 GYURXRSEDUYWHF-VXLYETTFSA-N 325.759 2.889 50 50 EFGA O=C1c2ccccc2C(=O)N1CCCCCI 200668947 UNYGXYYFZGAWDL-UHFFFAOYSA-N 343.164 2.888 50 50 EFGA COc1cccc(C(=O)NNC(=O)c2sccc2-n2cccc2)c1 6182424 ZOFJFMNGYUSWIJ-UHFFFAOYSA-N 341.392 2.622 50 50 EFGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc3ccccc3c2)cc1 2098732 LVXCAZFRLCCERZ-FYJGNVAPSA-N 347.374 2.937 50 50 EFGA O=C(NNC(=O)c1ccc2ccccc2c1O)NC1CCCCC1 15934093 ZSAABUFLRRHCJD-UHFFFAOYSA-N 327.384 2.822 50 50 EFGA OB(O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 170002444 KRQWRMMUXJAOLH-UHFFFAOYSA-N 334.180 2.524 50 50 EFGA O=C(CC1(O)CCCCC1)N/N=C/c1ccc(Br)cc1 296268 ZFXRVFSWEJFNOD-GZTJUZNOSA-N 339.233 2.985 50 50 EFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 5735284 LPPSLGMFJIIUNO-GIJQJNRQSA-N 335.266 2.960 50 50 EFGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/C=C/c1ccccc1 1946405 YCXQVATTXNQJHQ-XZHCKZKCSA-N 341.798 2.885 50 50 EFGA C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1ccco1 12343155 RDDUREABGITKAC-WOJGMQOQSA-N 328.397 2.799 50 50 EFGA CC(C)NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 443862 MYEUJDNLPXKFIY-XCVCLJGOSA-N 337.173 2.609 50 50 EFGA CC(/C=C/c1ccco1)=N\NC(=O)COc1ccccc1[N+](=O)[O-] 4989720 VMELYQZOYDVXMX-ZPMYDZSXSA-N 329.312 2.772 50 50 EFGA C[C@H](CC(=O)NNc1nc2ccccc2c(=O)[nH]1)c1cccc(F)c1 137131112 YJJPGBAIPXCHCQ-LLVKDONJSA-N 340.358 2.699 50 50 EFGA O=C(NCc1ccccn1)c1cccc(-c2noc(CCl)n2)c1 34924938 BTVMZLWTOAIYRZ-UHFFFAOYSA-N 328.759 2.800 50 50 EFGA N#C/C(=C\c1c[nH]nc1-c1ccc(F)cc1)C(=O)NCc1ccncc1 6628817 YICHTSTVXCZDNH-OQLLNIDSSA-N 347.353 2.834 50 50 EFGA CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CCCS(C)(=O)=O)C1 328596911 BLVBGALVLSXGOR-AWEZNQCLSA-N 335.586 2.907 50 50 EFGA Cn1ccc(-c2noc([C@@]3(c4ccccc4)C[C@@H]3Br)n2)n1 1875279173 ZBPSUIKPXYTKAJ-SWLSCSKDSA-N 345.200 2.923 50 50 EFGA CCN(CC)c1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)c(OC)c1 4150166 OVVLRCRMHSXUIB-MDWZMJQESA-N 336.399 2.783 50 50 EFGA O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1cccc2ccccc12 4283240 LCVWZUWCMNQOGE-UDWIEESQSA-N 333.347 2.634 50 50 EFGA COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(C)n1 126265 DTQHGGWFCKJVKD-RQZCQDPDSA-N 348.200 2.925 50 50 EFGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2O)c(O)c1 43334 FBNFORURTIUHBF-XDHOZWIPSA-N 327.384 2.708 50 50 EFGA O=C(CCl)NC1CCN(CCOc2ccc(Cl)cc2)CC1 1320465869 PZMYNRPUVCYQKQ-UHFFFAOYSA-N 331.243 2.538 50 50 EFGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 71947 LPSRWGXBRXUPBW-LICLKQGHSA-N 326.381 2.911 50 50 EFGA CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2)cc1 2759797 APPZEROWVXOAAX-XSFVSMFZSA-N 339.395 2.954 50 50 EFGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(O)c(O)c1 9065046 YBEZKBQJLBPDKP-HNNXBMFYSA-N 346.346 2.706 50 50 EFGA C[C@@H](CCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1 101687024 GTBCXYYVWHFQRS-JTQLQIEISA-N 340.426 2.598 50 50 EFGA Cc1nc2ccccc2cc1C(=O)N/N=C1\C(=O)Nc2ccccc21 5730198 VRDOXHUZMACCOS-UHFFFAOYSA-N 330.347 2.629 50 50 EFGA COc1cccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)c1 2453921 FBQLTNNAWPMBRS-LICLKQGHSA-N 326.381 2.911 50 50 EFGA COc1ccc(Cl)cc1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 59075 BRWSXLDWYQUPPH-ARFNDINWSA-N 346.770 2.639 50 50 EFGA CC(C)Oc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 522805 PWDBZWLXLCRMAT-VXLYETTFSA-N 326.352 2.966 50 50 EFGA O=C(N/N=C\c1cccnc1)[C@H]1COc2cc3ccccc3cc2O1 32614472 MIIGLTHHSZPJQO-UTYYKHSJSA-N 333.347 2.525 50 50 EFGA COc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1O 32609433 OMUXVNVPPWOPNG-MFOYZWKCSA-N 349.184 2.927 50 50 EFGA CCc1ccccc1NC(=O)NNS(=O)(=O)c1ccc(C)c(C)c1 17072270 PHCPSMNYPKBOJR-UHFFFAOYSA-N 347.440 2.881 50 50 EFGA Cc1nc2ccccc2n1CC(=O)N/N=C/c1c[nH]c2ccccc12 5318848 MNDNUDUEULHOGE-SRZZPIQSSA-N 331.379 2.976 50 50 EFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1[N+](=O)[O-] 1880028 HHTWRCDDWPCLON-LZYBPNLTSA-N 348.702 2.920 50 50 EFGA C[C@H]1CN(C(=O)[C@@H](C)Cl)CCN1C(=O)Cc1cccc(Cl)c1 1875364584 XFVJFFYJQGNGDW-NWDGAFQWSA-N 343.254 2.569 50 50 EFGA COc1ccccc1C(=O)N/N=C\c1cc(Br)ccc1O 71784992 KWKHCHNCJOBPCB-MFOYZWKCSA-N 349.184 2.927 50 50 EFGA COc1cc(C2C(C#N)=C(C)NC(C)=C2C#N)cc(OC)c1OC 19690577 YMROQNXIMWYKBL-UHFFFAOYSA-N 325.368 2.994 50 50 EFGA C/C(=N\NC(=O)c1cc(-c2cccs2)[nH]n1)c1cccc(O)c1 6780483 AAROYADJLRXJDD-LICLKQGHSA-N 326.381 2.998 50 50 EFGA O=C(NNC(=O)c1cccc(Br)c1)Nc1ccccc1 283241 OZRAKHFGJUHSGZ-UHFFFAOYSA-N 334.173 2.916 50 50 EFGA O=C(NNC(=O)c1cccnc1)Nc1cccc(Cl)c1Cl 621275 VEXUADFAKFWQEM-UHFFFAOYSA-N 325.155 2.855 50 50 EFGA O=[n+]1c(CBr)c(CBr)n(O)c2ccccc21 100667544 AZSDDUBOOQNRTQ-UHFFFAOYSA-N 349.002 2.583 50 50 EFGA in-vitro CC[C@H](Nc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 252337 JRPJOMSCJARLSG-IQFISFIMSA-N 326.356 2.936 50 50 EFGA Cn1cccc1-c1cc(C(=O)N/N=C/c2ccc(Cl)cc2)[nH]n1 232648 MMCDFYRPLROSNM-VCHYOVAHSA-N 327.775 2.833 50 50 EFGA O=C(NNC(=O)c1c(F)cccc1F)c1sccc1-n1cccc1 1394309 RPVNQDWEFJZEQX-UHFFFAOYSA-N 347.346 2.892 50 50 EFGA COc1ccccc1/C=C/C=N/NC(=O)CCn1nnc2ccccc21 1823409 HICHQUGAMVZNPL-XIXYXBKTSA-N 349.394 2.645 50 50 EFGA C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)NN)CC[C@H]12 254546573 VVTXMFGLOIFEKN-FMKUXJSGSA-N 332.488 2.916 50 50 EFGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC 70990 CSSXJVCMPZLGJK-INIZCTEOSA-N 326.352 2.519 50 50 EFGA Cc1ccc(S(=O)(=O)/C(C#N)=C\Nc2nc(C)cc(Cl)n2)cc1 16739911 YGVXLNNAHCHFPP-LCYFTJDESA-N 348.815 2.998 50 50 EFGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cccs1 4079675 IOPTZJCONZZXPE-RGVLZGJSSA-N 337.404 2.781 50 50 EFGA COc1ccc(C)cc1NC(=O)NNC(=O)[C@]1(C)CC1(Cl)Cl 2853713 WTABUUPSWCPMCZ-ZDUSSCGKSA-N 346.214 2.740 50 50 EFGA COCc1nc(C)c(C(=O)OC[C@]2(C)C[C@@H]2Br)s1 888099472 LIZJNRWRHVBDNK-UFBFGSQYSA-N 334.235 2.928 50 50 EFGA Cc1n[nH]c2c1[C@@H](c1cc(Cl)cc(Cl)c1O)C(C#N)=C(N)O2 8903151 XTXJJTRHBGRMLF-NSHDSACASA-N 337.166 2.949 50 50 EFGA CCCN1CCN([C@H](C)CCCN(C(=O)[C@@H](C)Cl)C2CC2)CC1 1875364211 ITBBPHQEHVGSPG-HZPDHXFCSA-N 343.943 2.801 50 50 EFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)o1 9088308 AQPFZPGTHSGJPY-YBFXNURJSA-N 337.383 2.808 50 50 EFGA Cc1c(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cnn1C 374416 LBLORTHXOMRVQN-GIJQJNRQSA-N 334.807 2.690 50 50 EFGA Cc1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1C 435263 MVMUMVASULDKAN-VCHYOVAHSA-N 327.340 2.741 50 50 EFGA COc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(Cl)cc1 478844 QEOWTGJNDUBGIY-DJKKODMXSA-N 333.775 2.930 50 50 EFGA COc1ccc(OC)c(C=NNC(=O)COc2c(C)cccc2C)c1 16677672 VHUPZOGPCPYQRR-UHFFFAOYSA-N 342.395 2.850 50 50 EFGA COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(F)cc2)[nH]n1 8568409 ULCDHEKQHARNLA-RGVLZGJSSA-N 338.342 2.988 50 50 EFGA C=CCc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1O 301036 PMQPTNMVMMWQTO-WOJGMQOQSA-N 325.324 2.793 50 50 EFGA CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNNC(=O)c1ccccc1 1857524933 OFYGVQXKIOOSLU-UHFFFAOYSA-N 348.406 2.844 50 50 EFGA Cc1nn(C)c(C)c1CCC(=O)OC[C@]1(C)C[C@@H]1Br 888099536 PDXWGQVIIBRQJT-JSGCOSHPSA-N 329.238 2.686 50 50 EFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 58309 CIUUDCOYHBMQHM-INIZCTEOSA-N 338.363 2.866 50 50 EFGA CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(Cl)Cl)cc1 617325 MMLATPXWPDELGA-QMMMGPOBSA-N 339.244 2.506 50 50 EFGA CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1 2971169 NWEQEDOHGVIEDI-LDADJPATSA-N 343.339 2.523 50 50 EFGA CC(C)c1ccc(/C=N/NC(=O)c2nc3ccccc3[nH]c2=O)cc1 5727475 RUYRYFRWBKPGOQ-RGVLZGJSSA-N 334.379 2.810 50 50 EFGA COc1ccccc1-c1cc(C(=O)N/N=C/c2ccccc2O)[nH]n1 4312400 AHYVJSDPIVBMQS-YBFXNURJSA-N 336.351 2.555 50 50 EFGA Cc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 5072938 VWNRKRYUJRVZHK-SNVBAGLBSA-N 349.177 2.603 50 50 EFGA CC(C)(C)OC(=O)N1CC[C@@](O)(C(F)(F)F)[C@H](Br)C1 396137665 MTHBKYXJSOPDME-XCBNKYQSSA-N 348.159 2.684 50 50 EFGA COC(=O)C1=C(N)OC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 355411 MUAJXELEDUKNIS-GFCCVEGCSA-N 338.285 2.960 50 50 EFGA Cc1ccsc1CN(C(=O)CCl)[C@@H]1CCN(C(C)C)C1=O 1875382264 WMNQRPQMDMJRBP-GFCCVEGCSA-N 328.865 2.633 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C)s3)[C@H]2C1 5018229 FAUJHGKEZXHTEO-DOTOQJQBSA-N 349.463 2.802 50 50 EFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc1 182685 AZKQHWXNQRGCQW-INIZCTEOSA-N 345.358 2.755 50 50 EFGA Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccccc1F 2898185 VFRVUTGDRUJAOJ-DJKKODMXSA-N 333.750 2.876 50 50 EFGA CCn1ncc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C 37398 AFBCZDQOPIIENE-OAHLLOKOSA-N 326.400 2.662 50 50 EFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1OC 3667174 ZJWWTUMDFLLPDC-INIZCTEOSA-N 326.352 2.506 50 50 EFGA O=C1O[C@H]2[C@H]3C[C@@H]([C@@H](c4ccccc4)[C@@H]13)[C@H]2I 230079924 HSYRRILDTLPLIV-NURVWSNCSA-N 340.160 2.765 50 50 EFGA O=C(COc1ccccc1)N/N=C/c1cc(Br)ccc1O 261269 ZRXXJHRQZVYPPI-RQZCQDPDSA-N 349.184 2.684 50 50 EFGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1O 2674400 QNYSPKMJLCCAOL-VURRPDKYSA-N 348.786 2.972 50 50 EFGA COC(=O)c1cc(/C(C#N)=C2/C(=O)Nc3ccc(F)cc32)c(C)o1 197643404 RLFPFTFSLIDGCH-NTCAYCPXSA-N 326.283 2.900 50 50 EFGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(O)c1 186300 FIOFEQLXCLAQCB-RQZCQDPDSA-N 326.381 2.511 50 50 EFGA O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c(B(O)O)c1 169744041 ZGFGZSCJBZPJGO-UHFFFAOYSA-N 344.390 2.579 50 50 EFGA CC(C)(C)c1n[nH]c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 82666 PBQHEXMVBUKVQA-GFCCVEGCSA-N 339.355 2.834 50 50 EFGA O=C(Cn1nnc2ccccc21)N/N=C\c1cccc(Cl)c1Cl 32617948 KAIKUBVSCGQRLG-LSCVHKIXSA-N 348.193 2.888 50 50 EFGA Cc1nn(Cc2ccccc2)c2c1[C@@H](c1cccnc1)C(C#N)=C(N)O2 444675 KYDIYBCYZYMBJP-SFHVURJKSA-N 343.390 2.853 50 50 EFGA COc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1OC 566423 HCKRBSKOTGDDMY-VXLYETTFSA-N 348.786 2.886 50 50 EFGA Cc1c(/C=N/NC(=O)Cc2c(Cl)cccc2Cl)cnn1C 2800901 KXIXEVHNJZGPBF-REZTVBANSA-N 325.199 2.728 50 50 EFGA O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccccc1 18029561 KLQFKFPZTKKLTP-UHFFFAOYSA-N 344.168 2.535 50 50 EFGA CCCCc1ccc(NC(=O)c2ccc(Cl)c(B(O)O)c2)cc1 169744203 RHJMNXAZTFAMMY-UHFFFAOYSA-N 331.608 2.615 50 50 EFGA CNC(=S)NNC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2 6563420 XZBDWFGKYTXRHX-VIFPVBQESA-N 325.503 2.638 50 50 EFGA CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)[C@H](C)Cl)cc1 1875364273 MWPBPRXZQQIZQH-STQMWFEESA-N 340.851 2.786 50 50 EFGA CCCCCc1cc(C(=O)NCCSSCCC(=O)O)n[nH]1 1875388904 UZPHHKBJUMVXLM-UHFFFAOYSA-N 345.490 2.728 50 50 EFGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)s2)CC(=O)N1 178139 IVACVBDVLXOAKB-JTQLQIEISA-N 336.438 2.692 50 50 EFGA Cc1ccc(O[C@@H](C)C(=O)NNC(=S)Nc2ccccc2)cc1 6574080 BAWQXFWUKFEGKY-ZDUSSCGKSA-N 329.425 2.780 50 50 EFGA COc1ccc(C(=O)N/N=C\c2coc3ccc(C)cc3c2=O)cc1 15934266 YQYAUIRYAZODJX-JMIUGGIZSA-N 336.347 2.874 50 50 EFGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1 182578 KZMBDFRDCGEJKJ-IBGZPJMESA-N 348.406 2.929 50 50 EFGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccnc1 102293819 BMQVODKDQVEXTO-KGENOOAVSA-N 332.448 2.789 50 50 EFGA C[C@H](Cl)C(=O)N[C@@H]1CCc2nc(-c3cc(F)ccc3F)cn2C1 1875378052 UXDYJOJIHSJCRO-GXSJLCMTSA-N 339.773 2.887 50 50 EFGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)cc1 2566450 ISAHKFGVCACJBP-DEDYPNTBSA-N 339.395 2.737 50 50 EFGA CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)c1ccc(C)cc1 25758247 PSOMYXOPUOXLCI-BXKXQWCYSA-N 335.407 2.930 50 50 EFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@H]2C1 19816281 YIHOMAXYJIKXIL-DLBZAZTESA-N 349.825 2.695 50 50 EFGA COc1ccc(O)c(/C=N/NC(=O)COc2cccc(Cl)c2)c1 59028 DLGFXLOHJACGIL-GIJQJNRQSA-N 334.759 2.583 50 50 EFGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(O)cc1O 4366350 KDXTXUKYCIRJIQ-SVXRXWARSA-N 334.759 2.669 50 50 EFGA Cc1cccc(C)c1OCC(=O)NN=Cc1ccc(N(C)C)cc1 16677575 PZLHBFQMCLUHOR-UHFFFAOYSA-N 325.412 2.899 50 50 EFGA Cn1cccc1CNC(=O)[C@@]1(c2ccccc2)C[C@@H]1Br 1148114250 SFTXZPYELPTBRB-GOEBONIOSA-N 333.229 2.747 50 50 EFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(C)c1C 283221 ZBNFARVBNHLTES-KRWDZBQOSA-N 342.395 2.957 50 50 EFGA CNC(=S)NNC(=O)c1csc2c1CC[C@@H](C(C)(C)C)C2 6563406 XZBDWFGKYTXRHX-SECBINFHSA-N 325.503 2.638 50 50 EFGA O=C(CCl)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 1875364841 VLZMRWVCTHSBRC-UHFFFAOYSA-N 340.814 2.848 50 50 EFGA CO[C@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1 5023111 ZEKJGXCVUBRMBX-BNVXWPFTSA-N 337.423 2.765 50 50 EFGA COc1ccc(COC(=O)NNC(=O)/C=C/c2ccccc2)cc1 5101306 GRGPJVBZBKOYEE-FMIVXFBMSA-N 326.352 2.666 50 50 EFGA COc1cc(/C=N/NC(C)=O)ccc1OC(=O)/C=C/c1ccccc1 2521176 POBQKWDQAUWALN-ZEQSIELKSA-N 338.363 2.784 50 50 EFGA O=C(NNC(=O)c1oc2ccccc2c1-n1cccc1)c1ccco1 1393738 VFXRHDAIELEMHE-UHFFFAOYSA-N 335.319 2.891 50 50 EFGA Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 448318 XOOSHWPWYHAEKI-VCHYOVAHSA-N 327.340 2.741 50 50 EFGA O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cccc(Br)c1 4990547 TXWFUCUZAFDVNZ-AUWJEWJLSA-N 338.117 2.714 50 50 EFGA F[C@H]1C[C@H]2[C@@H](Br)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245236150 QETLGKWBLPLOEM-KLVWXMOXSA-N 330.041 2.943 50 50 EFGA O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1 4282666 XIKMKNMSGBSNSM-KEBDBYFISA-N 340.770 2.910 50 50 EFGA O=C(N/N=C/c1ccco1)C(=O)Nc1cccc(Cl)c1Cl 2518543 IILGPWKQBDQVJM-FRKPEAEDSA-N 326.139 2.675 50 50 EFGA CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 4597221 LMVLTKOYCJFJGR-LBPRGKRZSA-N 339.355 2.834 50 50 EFGA CCOc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1O 12468215 WRKAZXHJPOIHKE-VCHYOVAHSA-N 330.388 2.575 50 50 EFGA Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)NC1CCCCC1 355657 MTDSJEXJYVYIOW-UHFFFAOYSA-N 342.399 2.927 50 50 EFGA COc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 4372618 FMKAOHJPTSUEBD-MBNTZHJCSA-N 343.339 2.521 50 50 EFGA CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1O 196651 HUCLGTLOXLSOIP-MRXNPFEDSA-N 326.352 2.606 50 50 EFGA Cc1cc(C(=O)NCCSSCCC(=O)O)c(F)cc1F 1875388585 HNRYOMORRMRPIA-UHFFFAOYSA-N 335.397 2.859 50 50 EFGA C[C@H](Cl)C(=O)N1CC(c2ncc(OCc3ccccc3)cn2)C1 1875367983 GDSHFBCLBDWACH-LBPRGKRZSA-N 331.803 2.609 50 50 EFGA COc1ccc(O)c(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 286382 NMHDSZLWVWBLON-VSMYLPJWSA-N 348.786 2.972 50 50 EFGA O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(F)cc1 16310662 YCEDGBMAQVJLRG-REZTVBANSA-N 337.694 2.857 50 50 EFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(F)(F)F)c32)cc1 6493625 NMSGGIVKACQPBV-JTQLQIEISA-N 336.273 2.655 50 50 EFGA O=S(=O)(CBr)Nc1ccc2nc(C3CCC3)[nH]c2c1 1875391404 HEKUQNTXUYIJHQ-UHFFFAOYSA-N 344.234 2.925 50 50 EFGA COC(=O)NC(C#N)=C(NCc1ccccc1)NCc1ccccc1 1800660 OTEATBNBHHZTBW-UHFFFAOYSA-N 336.395 2.615 50 50 EFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 26593 CIUUDCOYHBMQHM-MRXNPFEDSA-N 338.363 2.866 50 50 EFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3)[C@@H]2C1 33936237 PSSVTCUXUCQBCL-MSOLQXFVSA-N 347.397 2.571 50 50 EFGA CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 910057019 QDZJIEFOKJLXKY-UONOGXRCSA-N 340.540 2.668 50 50 EFGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2Cl)n1 3130326 BTLVOLULYWJAPO-CAOOACKPSA-N 334.832 2.989 50 50 EFGA COc1ccc(/C=N/NC(=O)c2ccncc2)cc1Br 257349 RAFYNUZZMWLQPB-RQZCQDPDSA-N 334.173 2.617 50 50 EFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccsc1 1426903 VQVKDDIDRCAFKV-CQSZACIVSA-N 335.388 2.818 50 50 EFGA C/C(=N\OCC(=O)N/N=C/c1ccc(C)cc1O)c1cccs1 5007827 UNJAFLKVOUSZHJ-OHJMVEGPSA-N 331.397 2.653 50 50 EFGA CCOC(=O)c1sc(NC(=O)CCl)c(C(=O)OCC)c1C 175485 AOFYGAIXNQKIHT-UHFFFAOYSA-N 333.793 2.587 50 50 EFGA in-vitro Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Cl)cc1 2556901 KISOIDIHUAPEON-HNNXBMFYSA-N 337.828 2.650 50 50 EFGA COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)cc1 439956 KPCHIVUDYOTEGY-HVOBPNNYSA-N 344.440 2.733 50 50 EFGA COc1c(O)cc(/C=N/NC(=O)c2ccccc2)cc1Br 6180394 PHWHQMMTRQXIFH-RQZCQDPDSA-N 349.184 2.927 50 50 EFGA O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(F)cc1 4828732 KPBDXBPJEUHDIF-UHFFFAOYSA-N 335.251 2.791 50 50 EFGA CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)[C@@H](C)Cl)cn1 1875375606 FUDMIQHFFZUUFA-CZUORRHYSA-N 335.835 2.593 50 50 EFGA Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nc2ccccc21 186611 MFGWYWNTYCFUSN-VCHYOVAHSA-N 340.408 2.521 50 50 EFGA